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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | stage | position | program | type |
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638618 |
6k50 ![]() ![]() |
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 HT1 GLY 1 5.669 -0.154 4.039 2 H2 GLY 1 HT2 GLY 1 5.787 0.698 5.498 3 H3 GLY 1 HT3 GLY 1 4.347 0.733 4.611 4 HA2 GLY 1 HA1 GLY 1 5.517 -1.663 5.908 5 HA3 GLY 1 HA2 GLY 1 4.150 -0.739 6.516 6 H PHE 2 HN PHE 2 3.405 -3.130 6.303 7 HA PHE 2 HA PHE 2 2.025 -4.655 5.333 8 HB2 PHE 2 HB2 PHE 2 0.947 -2.254 3.838 9 HB3 PHE 2 HB1 PHE 2 0.090 -3.750 4.195 10 HD1 PHE 2 HD1 PHE 2 0.123 -4.336 6.825 11 HD2 PHE 2 HD2 PHE 2 0.429 -0.446 5.127 12 HE1 PHE 2 HE1 PHE 2 -0.685 -3.359 8.932 13 HE2 PHE 2 HE2 PHE 2 -0.377 0.537 7.236 14 HZ PHE 2 HZ PHE 2 -0.935 -0.919 9.141 15 H GLY 3 HN GLY 3 4.083 -5.364 4.222 16 HA2 GLY 3 HA2 GLY 3 4.824 -6.503 2.343 17 HA3 GLY 3 HA1 GLY 3 3.525 -5.763 1.417 18 H CYS 4 HN CYS 4 3.967 -3.120 1.806 19 HA CYS 4 HA CYS 4 6.154 -2.641 0.030 20 HB2 CYS 4 HB2 CYS 4 4.016 -1.371 -0.022 21 HB3 CYS 4 HB1 CYS 4 4.434 -0.660 1.533 22 H ASN 5 HN ASN 5 8.207 -2.379 0.605 23 HA ASN 5 HA ASN 5 8.761 -1.526 3.374 24 HB2 ASN 5 HB2 ASN 5 10.249 -3.370 1.531 25 HB3 ASN 5 HB1 ASN 5 11.087 -2.560 2.847 26 HD21 ASN 5 HD21 ASN 5 7.759 -3.676 2.985 27 HD22 ASN 5 HD22 ASN 5 8.035 -4.914 4.160 28 H GLY 6 HN GLY 6 8.469 -0.143 0.554 29 HA2 GLY 6 HA2 GLY 6 9.260 2.189 0.513 30 HA3 GLY 6 HA1 GLY 6 10.839 1.559 0.931 31 HA PRO 7 HA PRO 7 10.346 2.426 -3.679 32 HB2 PRO 7 HB2 PRO 7 13.011 3.257 -3.822 33 HB3 PRO 7 HB1 PRO 7 11.597 4.303 -3.720 34 HG2 PRO 7 HG2 PRO 7 13.455 3.416 -1.573 35 HG3 PRO 7 HG1 PRO 7 12.630 4.972 -1.776 36 HD2 PRO 7 HD2 PRO 7 11.797 3.174 0.021 37 HD3 PRO 7 HD1 PRO 7 10.641 4.171 -0.886 38 H TRP 8 HN TRP 8 12.858 0.781 -1.837 39 HA TRP 8 HA TRP 8 13.959 -0.584 -4.099 40 HB2 TRP 8 HB2 TRP 8 15.335 -1.760 -2.539 41 HB3 TRP 8 HB1 TRP 8 15.201 -0.106 -1.958 42 HD1 TRP 8 HD1 TRP 8 13.124 0.167 0.021 43 HE1 TRP 8 HE1 TRP 8 12.715 -1.385 2.029 44 HE3 TRP 8 HE3 TRP 8 15.565 -3.990 -1.668 45 HZ2 TRP 8 HZ2 TRP 8 13.340 -4.031 2.792 46 HZ3 TRP 8 HZ3 TRP 8 15.610 -5.992 -0.240 47 HH2 TRP 8 HH2 TRP 8 14.520 -6.010 1.944 48 H ASN 9 HN ASN 9 11.277 -1.116 -2.027 49 HA ASN 9 HA ASN 9 10.633 -3.612 -3.348 50 HB2 ASN 9 HB2 ASN 9 12.086 -4.268 -1.416 51 HB3 ASN 9 HB1 ASN 9 10.927 -3.511 -0.333 52 HD21 ASN 9 HD21 ASN 9 8.915 -4.514 -0.002 53 HD22 ASN 9 HD22 ASN 9 8.638 -6.167 -0.423 54 H GLU 10 HN GLU 10 9.103 -1.871 -4.020 55 HA GLU 10 HA GLU 10 7.074 -1.146 -2.073 56 HB2 GLU 10 HB2 GLU 10 7.024 -0.661 -5.055 57 HB3 GLU 10 HB1 GLU 10 6.087 0.169 -3.825 58 HG2 GLU 10 HG2 GLU 10 8.114 1.202 -2.950 59 HG3 GLU 10 HG1 GLU 10 9.074 0.324 -4.144 60 H ASP 11 HN ASP 11 4.858 -1.805 -2.266 61 HA ASP 11 HA ASP 11 4.352 -4.040 -4.070 62 HB2 ASP 11 HB2 ASP 11 5.230 -4.846 -1.773 63 HB3 ASP 11 HB1 ASP 11 3.652 -4.353 -1.164 64 H ASP 12 HN ASP 12 2.803 -3.004 -5.163 65 HA ASP 12 HA ASP 12 0.835 -1.315 -4.053 66 HB2 ASP 12 HB2 ASP 12 1.476 -1.242 -6.419 67 HB3 ASP 12 HB1 ASP 12 0.839 -2.863 -6.655 68 H LEU 13 HN LEU 13 1.046 -4.759 -4.426 69 HA LEU 13 HA LEU 13 -1.778 -5.230 -4.384 70 HB2 LEU 13 HB2 LEU 13 -0.034 -6.683 -5.479 71 HB3 LEU 13 HB1 LEU 13 0.426 -7.218 -3.884 72 HG LEU 13 HG LEU 13 -1.198 -8.680 -5.309 73 HD11 LEU 13 HD11 LEU 13 -2.198 -9.552 -3.325 74 HD12 LEU 13 HD12 LEU 13 -1.829 -8.065 -2.452 75 HD13 LEU 13 HD13 LEU 13 -0.521 -9.111 -3.007 76 HD21 LEU 13 HD21 LEU 13 -3.542 -8.215 -4.970 77 HD22 LEU 13 HD22 LEU 13 -2.783 -6.857 -5.801 78 HD23 LEU 13 HD23 LEU 13 -3.149 -6.747 -4.079 79 H ARG 14 HN ARG 14 0.851 -5.873 -2.043 80 HA ARG 14 HA ARG 14 -0.806 -6.756 0.046 81 HB2 ARG 14 HB2 ARG 14 1.928 -5.604 -0.058 82 HB3 ARG 14 HB1 ARG 14 1.113 -5.577 1.490 83 HG2 ARG 14 HG2 ARG 14 2.272 -7.538 1.611 84 HG3 ARG 14 HG1 ARG 14 0.706 -8.093 1.025 85 HD2 ARG 14 HD2 ARG 14 2.527 -7.330 -1.112 86 HD3 ARG 14 HD1 ARG 14 3.147 -8.638 -0.108 87 HE ARG 14 HE ARG 14 0.517 -9.246 -0.713 88 HH11 ARG 14 HH11 ARG 14 3.456 -8.647 -2.514 89 HH12 ARG 14 HH12 ARG 14 3.140 -9.887 -3.696 90 HH21 ARG 14 HH21 ARG 14 0.099 -10.896 -2.274 91 HH22 ARG 14 HH22 ARG 14 1.234 -11.153 -3.563 92 H CYS 15 HN CYS 15 0.300 -3.423 -0.659 93 HA CYS 15 HA CYS 15 -1.024 -2.137 1.416 94 HB2 CYS 15 HB2 CYS 15 -0.438 -1.190 -1.393 95 HB3 CYS 15 HB1 CYS 15 -0.951 -0.157 -0.083 96 H HIS 16 HN HIS 16 -2.109 -2.881 -1.884 97 HA HIS 16 HA HIS 16 -4.688 -1.875 -1.809 98 HB2 HIS 16 HB2 HIS 16 -3.880 -2.668 -3.877 99 HB3 HIS 16 HB1 HIS 16 -3.457 -4.234 -3.216 100 HD1 HIS 16 HD1 HIS 16 -6.539 -2.237 -4.202 101 HD2 HIS 16 HD2 HIS 16 -5.331 -6.166 -3.560 102 HE1 HIS 16 HE1 HIS 16 -8.477 -3.665 -4.915 103 HE2 HIS 16 HE2 HIS 16 -7.631 -6.029 -4.740 104 H ASN 17 HN ASN 17 -3.586 -5.122 -0.866 105 HA ASN 17 HA ASN 17 -6.112 -6.113 -0.164 106 HB2 ASN 17 HB2 ASN 17 -3.327 -6.923 0.630 107 HB3 ASN 17 HB1 ASN 17 -4.748 -7.792 1.185 108 HD21 ASN 17 HD21 ASN 17 -2.708 -8.891 -0.391 109 HD22 ASN 17 HD22 ASN 17 -3.359 -9.290 -1.951 110 H HIS 18 HN HIS 18 -3.717 -4.347 1.703 111 HA HIS 18 HA HIS 18 -5.013 -4.653 4.211 112 HB2 HIS 18 HB2 HIS 18 -2.700 -3.983 4.186 113 HB3 HIS 18 HB1 HIS 18 -3.062 -2.577 3.195 114 HD1 HIS 18 HD1 HIS 18 -4.223 -3.855 6.610 115 HD2 HIS 18 HD2 HIS 18 -3.090 -0.344 4.684 116 HE1 HIS 18 HE1 HIS 18 -4.378 -2.044 8.351 117 HE2 HIS 18 HE2 HIS 18 -3.718 0.076 7.157 118 H CYS 19 HN CYS 19 -5.094 -2.097 1.751 119 HA CYS 19 HA CYS 19 -6.792 -0.411 3.274 120 HB2 CYS 19 HB2 CYS 19 -6.097 -0.384 0.339 121 HB3 CYS 19 HB1 CYS 19 -6.977 0.895 1.170 122 H LYS 20 HN LYS 20 -7.428 -2.855 0.791 123 HA LYS 20 HA LYS 20 -10.187 -2.110 0.536 124 HB2 LYS 20 HB2 LYS 20 -10.461 -4.011 -0.868 125 HB3 LYS 20 HB1 LYS 20 -8.887 -3.330 -1.244 126 HG2 LYS 20 HG2 LYS 20 -7.771 -5.055 -0.047 127 HG3 LYS 20 HG1 LYS 20 -9.291 -5.660 0.612 128 HD2 LYS 20 HD2 LYS 20 -10.015 -6.155 -1.729 129 HD3 LYS 20 HD1 LYS 20 -8.392 -5.721 -2.266 130 HE2 LYS 20 HE2 LYS 20 -7.444 -7.491 -0.896 131 HE3 LYS 20 HE1 LYS 20 -9.046 -7.900 -0.284 132 HZ1 LYS 20 HZ1 LYS 20 -8.140 -8.133 -3.100 133 HZ2 LYS 20 HZ2 LYS 20 -9.702 -8.470 -2.553 134 HZ3 LYS 20 HZ3 LYS 20 -8.401 -9.410 -2.023 135 H SER 21 HN SER 21 -8.463 -3.672 2.937 136 HA SER 21 HA SER 21 -10.639 -5.355 3.842 137 HB2 SER 21 HB2 SER 21 -8.212 -5.946 4.186 138 HB3 SER 21 HB1 SER 21 -8.099 -4.593 5.312 139 HG SER 21 HG SER 21 -9.842 -5.646 6.498 140 H ILE 22 HN ILE 22 -9.814 -2.122 3.951 141 HA ILE 22 HA ILE 22 -11.322 -1.621 6.421 142 HB ILE 22 HB ILE 22 -9.649 0.331 4.830 143 HG12 ILE 22 HG12 ILE 22 -8.895 -1.118 7.377 144 HG13 ILE 22 HG11 ILE 22 -8.308 -1.558 5.775 145 HG21 ILE 22 HG21 ILE 22 -11.372 1.363 6.208 146 HG22 ILE 22 HG22 ILE 22 -9.768 1.696 6.859 147 HG23 ILE 22 HG23 ILE 22 -10.790 0.477 7.617 148 HD11 ILE 22 HD11 ILE 22 -7.833 1.063 7.173 149 HD12 ILE 22 HD12 ILE 22 -7.240 0.627 5.572 150 HD13 ILE 22 HD13 ILE 22 -6.667 -0.248 6.991 151 H LYS 23 HN LYS 23 -13.408 -1.227 6.084 152 HA LYS 23 HA LYS 23 -14.624 -0.818 3.631 153 HB2 LYS 23 HB2 LYS 23 -15.664 -1.514 5.863 154 HB3 LYS 23 HB1 LYS 23 -15.747 0.204 6.218 155 HG2 LYS 23 HG2 LYS 23 -17.156 0.576 4.294 156 HG3 LYS 23 HG1 LYS 23 -17.019 -1.125 3.852 157 HD2 LYS 23 HD2 LYS 23 -18.202 -0.127 6.440 158 HD3 LYS 23 HD1 LYS 23 -19.146 -0.557 5.013 159 HE2 LYS 23 HE2 LYS 23 -17.326 -2.413 6.546 160 HE3 LYS 23 HE1 LYS 23 -19.084 -2.379 6.653 161 HZ1 LYS 23 HZ1 LYS 23 -18.379 -4.131 5.187 162 HZ2 LYS 23 HZ2 LYS 23 -17.485 -3.053 4.242 163 HZ3 LYS 23 HZ3 LYS 23 -19.172 -2.942 4.281 164 H GLY 24 HN GLY 24 -15.040 0.890 2.403 165 HA2 GLY 24 HA2 GLY 24 -15.513 3.279 2.191 166 HA3 GLY 24 HA1 GLY 24 -14.294 3.555 3.426 167 H TYR 25 HN TYR 25 -12.382 1.686 2.378 168 HA TYR 25 HA TYR 25 -11.420 3.306 0.125 169 HB2 TYR 25 HB2 TYR 25 -9.905 1.381 1.904 170 HB3 TYR 25 HB1 TYR 25 -9.202 2.405 0.660 171 HD1 TYR 25 HD1 TYR 25 -9.911 2.117 4.089 172 HD2 TYR 25 HD2 TYR 25 -9.632 4.987 0.965 173 HE1 TYR 25 HE1 TYR 25 -9.562 3.886 5.758 174 HE2 TYR 25 HE2 TYR 25 -9.283 6.767 2.626 175 HH TYR 25 HH TYR 25 -9.726 7.198 4.995 176 H LYS 26 HN LYS 26 -10.197 2.152 -1.582 177 HA LYS 26 HA LYS 26 -11.154 -0.604 -1.980 178 HB2 LYS 26 HB2 LYS 26 -11.200 -0.059 -4.474 179 HB3 LYS 26 HB1 LYS 26 -12.523 0.552 -3.495 180 HG2 LYS 26 HG2 LYS 26 -10.152 2.269 -4.104 181 HG3 LYS 26 HG1 LYS 26 -11.437 2.054 -5.293 182 HD2 LYS 26 HD2 LYS 26 -13.073 2.814 -3.593 183 HD3 LYS 26 HD1 LYS 26 -11.731 3.127 -2.490 184 HE2 LYS 26 HE2 LYS 26 -10.785 4.661 -4.229 185 HE3 LYS 26 HE1 LYS 26 -12.284 4.461 -5.133 186 HZ1 LYS 26 HZ1 LYS 26 -11.979 5.606 -2.414 187 HZ2 LYS 26 HZ2 LYS 26 -13.471 5.297 -3.154 188 HZ3 LYS 26 HZ3 LYS 26 -12.419 6.435 -3.823 189 H GLY 27 HN GLY 27 -8.596 1.739 -2.358 190 HA2 GLY 27 HA2 GLY 27 -6.842 -0.490 -3.153 191 HA3 GLY 27 HA1 GLY 27 -6.822 1.000 -4.081 192 H GLY 28 HN GLY 28 -4.515 0.127 -3.069 193 HA2 GLY 28 HA2 GLY 28 -3.812 2.276 -1.264 194 HA3 GLY 28 HA1 GLY 28 -3.587 0.657 -0.609 195 H TYR 29 HN TYR 29 -1.673 2.862 -1.442 196 HA TYR 29 HA TYR 29 0.175 1.131 -2.866 197 HB2 TYR 29 HB2 TYR 29 0.602 2.655 -4.686 198 HB3 TYR 29 HB1 TYR 29 -1.120 2.300 -4.657 199 HD1 TYR 29 HD1 TYR 29 -2.453 4.079 -3.042 200 HD2 TYR 29 HD2 TYR 29 1.154 4.823 -5.172 201 HE1 TYR 29 HE1 TYR 29 -2.940 6.486 -3.015 202 HE2 TYR 29 HE2 TYR 29 0.675 7.232 -5.150 203 HH TYR 29 HH TYR 29 -1.299 8.706 -4.966 204 H CYS 30 HN CYS 30 2.361 1.977 -2.888 205 HA CYS 30 HA CYS 30 3.054 3.214 -0.427 206 HB2 CYS 30 HB2 CYS 30 4.890 2.865 -2.796 207 HB3 CYS 30 HB1 CYS 30 5.314 2.896 -1.090 208 H ALA 31 HN ALA 31 2.370 5.285 -0.209 209 HA ALA 31 HA ALA 31 2.873 7.158 -2.404 210 HB1 ALA 31 HB1 ALA 31 0.593 7.065 -1.541 211 HB2 ALA 31 HB2 ALA 31 1.318 8.649 -1.274 212 HB3 ALA 31 HB3 ALA 31 1.181 7.507 0.061 213 H LYS 32 HN LYS 32 2.732 7.822 1.069 214 HA LYS 32 HA LYS 32 4.623 9.841 0.961 215 HB2 LYS 32 HB2 LYS 32 3.635 8.214 3.290 216 HB3 LYS 32 HB1 LYS 32 4.693 9.603 3.468 217 HG2 LYS 32 HG2 LYS 32 1.955 9.654 2.219 218 HG3 LYS 32 HG1 LYS 32 2.342 10.161 3.865 219 HD2 LYS 32 HD2 LYS 32 3.881 11.859 2.941 220 HD3 LYS 32 HD1 LYS 32 3.392 11.384 1.315 221 HE2 LYS 32 HE2 LYS 32 2.204 13.384 2.090 222 HE3 LYS 32 HE1 LYS 32 1.108 12.043 1.773 223 HZ1 LYS 32 HZ1 LYS 32 0.954 11.611 4.113 224 HZ2 LYS 32 HZ2 LYS 32 0.609 13.244 3.845 225 HZ3 LYS 32 HZ3 LYS 32 2.115 12.790 4.462 226 H GLY 33 HN GLY 33 6.658 9.658 0.429 227 HA2 GLY 33 HA2 GLY 33 8.872 9.061 0.538 228 HA3 GLY 33 HA1 GLY 33 8.489 8.120 1.969 229 H GLY 34 HN GLY 34 6.413 7.041 -0.308 230 HA2 GLY 34 HA2 GLY 34 6.400 5.162 -1.665 231 HA3 GLY 34 HA1 GLY 34 8.158 5.134 -1.588 232 H PHE 35 HN PHE 35 6.654 5.390 1.445 233 HA PHE 35 HA PHE 35 7.150 2.527 1.932 234 HB2 PHE 35 HB2 PHE 35 7.230 4.846 3.881 235 HB3 PHE 35 HB1 PHE 35 7.476 3.160 4.312 236 HD1 PHE 35 HD1 PHE 35 8.942 6.123 2.799 237 HD2 PHE 35 HD2 PHE 35 9.517 1.999 3.664 238 HE1 PHE 35 HE1 PHE 35 11.350 6.375 2.373 239 HE2 PHE 35 HE2 PHE 35 11.925 2.243 3.234 240 HZ PHE 35 HZ PHE 35 12.846 4.432 2.590 241 H VAL 36 HN VAL 36 4.998 5.228 2.672 242 HA VAL 36 HA VAL 36 3.246 3.620 4.282 243 HB VAL 36 HB VAL 36 2.864 6.420 3.220 244 HG11 VAL 36 HG11 VAL 36 0.740 5.448 3.824 245 HG12 VAL 36 HG12 VAL 36 1.209 6.640 5.038 246 HG13 VAL 36 HG13 VAL 36 1.389 4.919 5.377 247 HG21 VAL 36 HG21 VAL 36 3.555 7.141 5.463 248 HG22 VAL 36 HG22 VAL 36 4.835 6.258 4.632 249 HG23 VAL 36 HG23 VAL 36 3.890 5.462 5.890 250 H CYS 37 HN CYS 37 1.728 2.311 3.517 251 HA CYS 37 HA CYS 37 0.732 2.408 0.859 252 HB2 CYS 37 HB2 CYS 37 -0.319 0.981 3.312 253 HB3 CYS 37 HB1 CYS 37 -0.826 0.677 1.670 254 H LYS 38 HN LYS 38 -0.188 4.476 0.528 255 HA LYS 38 HA LYS 38 -2.193 5.493 2.307 256 HB2 LYS 38 HB2 LYS 38 -0.879 6.974 0.804 257 HB3 LYS 38 HB1 LYS 38 -1.713 6.274 -0.573 258 HG2 LYS 38 HG2 LYS 38 -3.848 6.991 0.810 259 HG3 LYS 38 HG1 LYS 38 -2.714 8.146 1.507 260 HD2 LYS 38 HD2 LYS 38 -3.237 7.797 -1.440 261 HD3 LYS 38 HD1 LYS 38 -3.959 9.047 -0.429 262 HE2 LYS 38 HE2 LYS 38 -1.776 9.978 0.035 263 HE3 LYS 38 HE1 LYS 38 -1.000 8.680 -0.875 264 HZ1 LYS 38 HZ1 LYS 38 -2.073 9.457 -2.873 265 HZ2 LYS 38 HZ2 LYS 38 -1.202 10.726 -2.170 266 HZ3 LYS 38 HZ3 LYS 38 -2.885 10.670 -2.016 267 H CYS 39 HN CYS 39 -4.345 5.303 2.179 268 HA CYS 39 HA CYS 39 -5.327 3.258 0.322 269 HB2 CYS 39 HB2 CYS 39 -6.534 4.223 2.922 270 HB3 CYS 39 HB1 CYS 39 -7.138 2.906 1.922 271 H TYR 40 HN TYR 40 -6.868 3.714 -1.112 272 HA TYR 40 HA TYR 40 -8.195 6.324 -0.915 273 HB2 TYR 40 HB2 TYR 40 -8.152 6.455 -3.408 274 HB3 TYR 40 HB1 TYR 40 -6.559 6.562 -2.670 275 HD1 TYR 40 HD1 TYR 40 -4.862 5.016 -3.242 276 HD2 TYR 40 HD2 TYR 40 -8.859 4.310 -4.514 277 HE1 TYR 40 HE1 TYR 40 -4.068 3.236 -4.739 278 HE2 TYR 40 HE2 TYR 40 -8.085 2.522 -6.002 279 HH TYR 40 HH TYR 40 -5.879 1.956 -7.202 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 6.184 -0.901 6.983 2 H2 GLY 1 HT2 GLY 1 6.453 0.649 6.365 3 H3 GLY 1 HT3 GLY 1 6.490 -0.687 5.331 4 HA2 GLY 1 HA1 GLY 1 4.127 0.386 6.758 5 HA3 GLY 1 HA2 GLY 1 4.431 0.475 5.030 6 H PHE 2 HN PHE 2 2.227 -0.556 5.101 7 HA PHE 2 HA PHE 2 2.120 -3.323 5.866 8 HB2 PHE 2 HB2 PHE 2 0.069 -1.575 4.495 9 HB3 PHE 2 HB1 PHE 2 -0.224 -3.207 5.083 10 HD1 PHE 2 HD1 PHE 2 -0.375 -3.661 7.469 11 HD2 PHE 2 HD2 PHE 2 0.230 0.288 6.004 12 HE1 PHE 2 HE1 PHE 2 -0.992 -2.753 9.670 13 HE2 PHE 2 HE2 PHE 2 -0.384 1.201 8.203 14 HZ PHE 2 HZ PHE 2 -1.004 -0.327 10.038 15 H GLY 3 HN GLY 3 3.984 -3.630 4.313 16 HA2 GLY 3 HA2 GLY 3 4.315 -5.140 2.463 17 HA3 GLY 3 HA1 GLY 3 2.915 -4.411 1.685 18 H CYS 4 HN CYS 4 4.120 -1.816 2.823 19 HA CYS 4 HA CYS 4 5.828 -1.281 0.509 20 HB2 CYS 4 HB2 CYS 4 4.450 0.663 2.368 21 HB3 CYS 4 HB1 CYS 4 5.271 1.056 0.860 22 H ASN 5 HN ASN 5 7.914 -1.604 1.004 23 HA ASN 5 HA ASN 5 8.887 -0.477 3.552 24 HB2 ASN 5 HB2 ASN 5 9.981 -2.864 2.048 25 HB3 ASN 5 HB1 ASN 5 10.641 -2.203 3.539 26 HD21 ASN 5 HD21 ASN 5 8.112 -4.065 2.098 27 HD22 ASN 5 HD22 ASN 5 7.417 -4.644 3.575 28 H GLY 6 HN GLY 6 8.673 0.464 0.608 29 HA2 GLY 6 HA2 GLY 6 10.083 2.374 0.015 30 HA3 GLY 6 HA1 GLY 6 11.469 1.392 0.467 31 HA PRO 7 HA PRO 7 10.464 1.488 -4.194 32 HB2 PRO 7 HB2 PRO 7 13.150 1.884 -4.828 33 HB3 PRO 7 HB1 PRO 7 11.907 3.129 -4.766 34 HG2 PRO 7 HG2 PRO 7 13.945 2.388 -2.726 35 HG3 PRO 7 HG1 PRO 7 13.313 3.989 -3.154 36 HD2 PRO 7 HD2 PRO 7 12.527 2.723 -0.929 37 HD3 PRO 7 HD1 PRO 7 11.394 3.705 -1.881 38 H TRP 8 HN TRP 8 12.866 -0.111 -2.241 39 HA TRP 8 HA TRP 8 13.539 -2.067 -4.249 40 HB2 TRP 8 HB2 TRP 8 15.002 -3.019 -2.595 41 HB3 TRP 8 HB1 TRP 8 15.150 -1.268 -2.496 42 HD1 TRP 8 HD1 TRP 8 13.460 -0.169 -0.440 43 HE1 TRP 8 HE1 TRP 8 13.186 -1.053 1.957 44 HE3 TRP 8 HE3 TRP 8 15.117 -4.952 -1.153 45 HZ2 TRP 8 HZ2 TRP 8 13.624 -3.459 3.363 46 HZ3 TRP 8 HZ3 TRP 8 15.161 -6.482 0.773 47 HH2 TRP 8 HH2 TRP 8 14.429 -5.749 2.984 48 H ASN 9 HN ASN 9 11.107 -1.718 -1.863 49 HA ASN 9 HA ASN 9 10.120 -4.403 -2.276 50 HB2 ASN 9 HB2 ASN 9 11.883 -4.628 -0.499 51 HB3 ASN 9 HB1 ASN 9 10.944 -3.537 0.506 52 HD21 ASN 9 HD21 ASN 9 11.737 -6.235 1.061 53 HD22 ASN 9 HD22 ASN 9 10.293 -7.154 1.291 54 H GLU 10 HN GLU 10 8.689 -2.488 -3.125 55 HA GLU 10 HA GLU 10 6.719 -1.987 -1.009 56 HB2 GLU 10 HB2 GLU 10 5.968 -0.019 -2.401 57 HB3 GLU 10 HB1 GLU 10 7.530 0.151 -1.618 58 HG2 GLU 10 HG2 GLU 10 8.689 -0.161 -3.646 59 HG3 GLU 10 HG1 GLU 10 7.233 -0.705 -4.482 60 H ASP 11 HN ASP 11 5.461 -3.734 -1.299 61 HA ASP 11 HA ASP 11 4.631 -4.536 -3.944 62 HB2 ASP 11 HB2 ASP 11 3.946 -5.542 -1.188 63 HB3 ASP 11 HB1 ASP 11 3.170 -6.167 -2.640 64 H ASP 12 HN ASP 12 3.357 -3.160 -4.920 65 HA ASP 12 HA ASP 12 1.455 -1.449 -3.842 66 HB2 ASP 12 HB2 ASP 12 2.342 -1.344 -6.159 67 HB3 ASP 12 HB1 ASP 12 1.416 -2.784 -6.562 68 H LEU 13 HN LEU 13 1.205 -4.814 -4.811 69 HA LEU 13 HA LEU 13 -1.600 -5.039 -4.738 70 HB2 LEU 13 HB2 LEU 13 0.512 -6.618 -5.471 71 HB3 LEU 13 HB1 LEU 13 -0.034 -7.405 -4.014 72 HG LEU 13 HG LEU 13 -1.110 -8.498 -5.824 73 HD11 LEU 13 HD11 LEU 13 -3.481 -8.065 -5.445 74 HD12 LEU 13 HD12 LEU 13 -3.069 -6.572 -4.601 75 HD13 LEU 13 HD13 LEU 13 -2.571 -8.127 -3.937 76 HD21 LEU 13 HD21 LEU 13 -0.737 -6.831 -7.539 77 HD22 LEU 13 HD22 LEU 13 -1.927 -5.766 -6.793 78 HD23 LEU 13 HD23 LEU 13 -2.438 -7.295 -7.503 79 H ARG 14 HN ARG 14 0.925 -5.780 -2.328 80 HA ARG 14 HA ARG 14 -0.601 -6.772 -0.284 81 HB2 ARG 14 HB2 ARG 14 1.989 -6.286 -0.738 82 HB3 ARG 14 HB1 ARG 14 1.642 -4.942 0.321 83 HG2 ARG 14 HG2 ARG 14 1.753 -6.261 2.096 84 HG3 ARG 14 HG1 ARG 14 0.506 -7.298 1.398 85 HD2 ARG 14 HD2 ARG 14 2.580 -8.537 1.876 86 HD3 ARG 14 HD1 ARG 14 2.152 -8.542 0.164 87 HE ARG 14 HE ARG 14 3.958 -7.110 -0.278 88 HH11 ARG 14 HH11 ARG 14 3.789 -7.984 3.105 89 HH12 ARG 14 HH12 ARG 14 5.435 -7.548 3.426 90 HH21 ARG 14 HH21 ARG 14 6.121 -6.545 0.130 91 HH22 ARG 14 HH22 ARG 14 6.765 -6.735 1.739 92 H CYS 15 HN CYS 15 0.403 -3.428 -0.877 93 HA CYS 15 HA CYS 15 -0.993 -2.240 1.250 94 HB2 CYS 15 HB2 CYS 15 0.781 -1.118 -0.083 95 HB3 CYS 15 HB1 CYS 15 -0.334 -1.014 -1.439 96 H HIS 16 HN HIS 16 -1.921 -2.645 -2.164 97 HA HIS 16 HA HIS 16 -4.493 -1.637 -2.107 98 HB2 HIS 16 HB2 HIS 16 -3.632 -2.258 -4.204 99 HB3 HIS 16 HB1 HIS 16 -3.207 -3.868 -3.659 100 HD1 HIS 16 HD1 HIS 16 -6.284 -1.832 -4.543 101 HD2 HIS 16 HD2 HIS 16 -5.054 -5.787 -4.226 102 HE1 HIS 16 HE1 HIS 16 -8.195 -3.208 -5.416 103 HE2 HIS 16 HE2 HIS 16 -7.343 -5.577 -5.403 104 H ASN 17 HN ASN 17 -3.447 -4.943 -1.362 105 HA ASN 17 HA ASN 17 -5.958 -6.019 -0.780 106 HB2 ASN 17 HB2 ASN 17 -3.184 -6.736 0.147 107 HB3 ASN 17 HB1 ASN 17 -4.595 -7.662 0.626 108 HD21 ASN 17 HD21 ASN 17 -2.306 -8.490 -0.924 109 HD22 ASN 17 HD22 ASN 17 -2.911 -9.034 -2.449 110 H HIS 18 HN HIS 18 -3.618 -4.380 1.299 111 HA HIS 18 HA HIS 18 -4.945 -4.811 3.743 112 HB2 HIS 18 HB2 HIS 18 -2.651 -4.084 3.752 113 HB3 HIS 18 HB1 HIS 18 -3.052 -2.624 2.863 114 HD1 HIS 18 HD1 HIS 18 -3.887 -4.191 6.242 115 HD2 HIS 18 HD2 HIS 18 -3.384 -0.476 4.449 116 HE1 HIS 18 HE1 HIS 18 -4.109 -2.509 8.099 117 HE2 HIS 18 HE2 HIS 18 -3.884 -0.261 6.979 118 H CYS 19 HN CYS 19 -5.146 -2.152 1.418 119 HA CYS 19 HA CYS 19 -6.893 -0.624 3.086 120 HB2 CYS 19 HB2 CYS 19 -6.222 -0.269 0.162 121 HB3 CYS 19 HB1 CYS 19 -6.984 0.928 1.203 122 H LYS 20 HN LYS 20 -7.369 -2.814 0.343 123 HA LYS 20 HA LYS 20 -10.076 -2.011 -0.097 124 HB2 LYS 20 HB2 LYS 20 -10.215 -3.745 -1.701 125 HB3 LYS 20 HB1 LYS 20 -8.580 -3.116 -1.808 126 HG2 LYS 20 HG2 LYS 20 -7.742 -5.006 -0.544 127 HG3 LYS 20 HG1 LYS 20 -9.385 -5.623 -0.346 128 HD2 LYS 20 HD2 LYS 20 -9.545 -5.730 -2.844 129 HD3 LYS 20 HD1 LYS 20 -7.829 -5.331 -2.912 130 HE2 LYS 20 HE2 LYS 20 -8.129 -7.723 -3.103 131 HE3 LYS 20 HE1 LYS 20 -7.333 -7.339 -1.579 132 HZ1 LYS 20 HZ1 LYS 20 -10.237 -7.872 -1.868 133 HZ2 LYS 20 HZ2 LYS 20 -9.390 -7.643 -0.421 134 HZ3 LYS 20 HZ3 LYS 20 -9.097 -9.013 -1.363 135 H SER 21 HN SER 21 -8.586 -4.074 2.186 136 HA SER 21 HA SER 21 -11.045 -5.543 2.711 137 HB2 SER 21 HB2 SER 21 -9.599 -6.651 4.502 138 HB3 SER 21 HB1 SER 21 -9.122 -6.922 2.826 139 HG SER 21 HG SER 21 -7.383 -5.709 3.088 140 H ILE 22 HN ILE 22 -10.082 -2.568 3.360 141 HA ILE 22 HA ILE 22 -11.267 -2.540 6.052 142 HB ILE 22 HB ILE 22 -9.536 -0.438 4.738 143 HG12 ILE 22 HG12 ILE 22 -8.911 -2.327 7.019 144 HG13 ILE 22 HG11 ILE 22 -8.293 -2.480 5.379 145 HG21 ILE 22 HG21 ILE 22 -9.552 0.644 6.936 146 HG22 ILE 22 HG22 ILE 22 -10.666 -0.587 7.531 147 HG23 ILE 22 HG23 ILE 22 -11.176 0.523 6.260 148 HD11 ILE 22 HD11 ILE 22 -7.746 -0.195 7.262 149 HD12 ILE 22 HD12 ILE 22 -7.116 -0.360 5.621 150 HD13 ILE 22 HD13 ILE 22 -6.637 -1.509 6.870 151 H LYS 23 HN LYS 23 -13.302 -1.824 6.134 152 HA LYS 23 HA LYS 23 -14.716 -0.839 3.942 153 HB2 LYS 23 HB2 LYS 23 -15.618 -1.887 6.096 154 HB3 LYS 23 HB1 LYS 23 -15.440 -0.288 6.805 155 HG2 LYS 23 HG2 LYS 23 -17.008 0.652 5.280 156 HG3 LYS 23 HG1 LYS 23 -17.064 -0.847 4.353 157 HD2 LYS 23 HD2 LYS 23 -19.038 -0.618 5.775 158 HD3 LYS 23 HD1 LYS 23 -18.061 -2.002 6.260 159 HE2 LYS 23 HE2 LYS 23 -18.814 -0.811 8.220 160 HE3 LYS 23 HE1 LYS 23 -17.070 -0.635 8.058 161 HZ1 LYS 23 HZ1 LYS 23 -18.091 1.456 8.645 162 HZ2 LYS 23 HZ2 LYS 23 -19.100 1.389 7.291 163 HZ3 LYS 23 HZ3 LYS 23 -17.431 1.560 7.093 164 H GLY 24 HN GLY 24 -15.070 1.142 3.162 165 HA2 GLY 24 HA2 GLY 24 -15.186 3.551 3.431 166 HA3 GLY 24 HA1 GLY 24 -13.879 3.425 4.599 167 H TYR 25 HN TYR 25 -12.595 1.391 2.737 168 HA TYR 25 HA TYR 25 -11.508 3.335 0.803 169 HB2 TYR 25 HB2 TYR 25 -10.030 1.070 2.162 170 HB3 TYR 25 HB1 TYR 25 -9.345 2.201 1.005 171 HD1 TYR 25 HD1 TYR 25 -9.778 1.492 4.434 172 HD2 TYR 25 HD2 TYR 25 -9.506 4.724 1.684 173 HE1 TYR 25 HE1 TYR 25 -9.179 3.006 6.277 174 HE2 TYR 25 HE2 TYR 25 -8.906 6.243 3.516 175 HH TYR 25 HH TYR 25 -9.187 6.386 5.952 176 H LYS 26 HN LYS 26 -10.348 2.176 -1.038 177 HA LYS 26 HA LYS 26 -11.583 -0.400 -1.693 178 HB2 LYS 26 HB2 LYS 26 -11.782 0.486 -4.108 179 HB3 LYS 26 HB1 LYS 26 -13.025 0.918 -2.945 180 HG2 LYS 26 HG2 LYS 26 -10.727 2.766 -3.364 181 HG3 LYS 26 HG1 LYS 26 -12.001 2.687 -4.581 182 HD2 LYS 26 HD2 LYS 26 -13.660 3.089 -2.746 183 HD3 LYS 26 HD1 LYS 26 -12.297 3.372 -1.661 184 HE2 LYS 26 HE2 LYS 26 -13.150 5.482 -2.482 185 HE3 LYS 26 HE1 LYS 26 -11.537 5.191 -3.131 186 HZ1 LYS 26 HZ1 LYS 26 -12.529 4.471 -5.200 187 HZ2 LYS 26 HZ2 LYS 26 -13.051 6.030 -4.820 188 HZ3 LYS 26 HZ3 LYS 26 -14.081 4.712 -4.582 189 H GLY 27 HN GLY 27 -8.950 1.875 -2.109 190 HA2 GLY 27 HA2 GLY 27 -7.358 -0.359 -3.173 191 HA3 GLY 27 HA1 GLY 27 -7.400 1.146 -4.079 192 H GLY 28 HN GLY 28 -4.999 0.256 -3.332 193 HA2 GLY 28 HA2 GLY 28 -4.140 2.352 -1.533 194 HA3 GLY 28 HA1 GLY 28 -3.863 0.719 -0.942 195 H TYR 29 HN TYR 29 -1.933 2.784 -1.635 196 HA TYR 29 HA TYR 29 -0.168 1.090 -3.138 197 HB2 TYR 29 HB2 TYR 29 0.464 2.840 -4.800 198 HB3 TYR 29 HB1 TYR 29 -1.155 2.203 -5.031 199 HD1 TYR 29 HD1 TYR 29 -2.942 3.691 -5.285 200 HD2 TYR 29 HD2 TYR 29 0.654 5.058 -3.477 201 HE1 TYR 29 HE1 TYR 29 -3.833 5.979 -5.259 202 HE2 TYR 29 HE2 TYR 29 -0.224 7.353 -3.453 203 HH TYR 29 HH TYR 29 -1.851 8.718 -4.471 204 H CYS 30 HN CYS 30 2.046 1.792 -3.020 205 HA CYS 30 HA CYS 30 2.565 3.159 -0.532 206 HB2 CYS 30 HB2 CYS 30 4.706 2.254 -2.441 207 HB3 CYS 30 HB1 CYS 30 4.739 2.321 -0.688 208 H ALA 31 HN ALA 31 2.476 5.301 -0.534 209 HA ALA 31 HA ALA 31 2.937 6.739 -3.019 210 HB1 ALA 31 HB1 ALA 31 1.891 8.628 -1.907 211 HB2 ALA 31 HB2 ALA 31 1.872 7.738 -0.384 212 HB3 ALA 31 HB3 ALA 31 0.898 7.181 -1.743 213 H LYS 32 HN LYS 32 3.600 7.950 0.225 214 HA LYS 32 HA LYS 32 5.750 9.485 -0.635 215 HB2 LYS 32 HB2 LYS 32 4.959 8.649 2.150 216 HB3 LYS 32 HB1 LYS 32 6.167 9.874 1.789 217 HG2 LYS 32 HG2 LYS 32 3.263 10.004 0.998 218 HG3 LYS 32 HG1 LYS 32 3.998 10.855 2.358 219 HD2 LYS 32 HD2 LYS 32 5.497 12.018 0.768 220 HD3 LYS 32 HD1 LYS 32 4.661 11.221 -0.563 221 HE2 LYS 32 HE2 LYS 32 3.350 13.037 1.453 222 HE3 LYS 32 HE1 LYS 32 3.881 13.537 -0.150 223 HZ1 LYS 32 HZ1 LYS 32 2.349 11.904 -1.098 224 HZ2 LYS 32 HZ2 LYS 32 1.536 13.047 -0.158 225 HZ3 LYS 32 HZ3 LYS 32 1.812 11.495 0.450 226 H GLY 33 HN GLY 33 7.517 8.626 -1.461 227 HA2 GLY 33 HA2 GLY 33 9.605 7.678 -1.460 228 HA3 GLY 33 HA1 GLY 33 9.383 7.318 0.243 229 H GLY 34 HN GLY 34 6.797 5.997 -1.309 230 HA2 GLY 34 HA2 GLY 34 6.303 3.833 -1.984 231 HA3 GLY 34 HA1 GLY 34 8.029 3.500 -2.071 232 H PHE 35 HN PHE 35 7.299 4.919 0.860 233 HA PHE 35 HA PHE 35 7.417 2.309 2.177 234 HB2 PHE 35 HB2 PHE 35 7.783 5.072 3.373 235 HB3 PHE 35 HB1 PHE 35 8.046 3.547 4.204 236 HD1 PHE 35 HD1 PHE 35 9.406 5.964 1.854 237 HD2 PHE 35 HD2 PHE 35 9.992 2.176 3.695 238 HE1 PHE 35 HE1 PHE 35 11.757 5.979 1.129 239 HE2 PHE 35 HE2 PHE 35 12.345 2.190 2.981 240 HZ PHE 35 HZ PHE 35 13.252 4.156 1.772 241 H VAL 36 HN VAL 36 5.487 5.229 1.971 242 HA VAL 36 HA VAL 36 3.735 4.388 4.112 243 HB VAL 36 HB VAL 36 3.513 6.779 2.276 244 HG11 VAL 36 HG11 VAL 36 1.370 6.185 3.254 245 HG12 VAL 36 HG12 VAL 36 1.988 7.665 3.987 246 HG13 VAL 36 HG13 VAL 36 2.095 6.137 4.861 247 HG21 VAL 36 HG21 VAL 36 4.641 6.538 5.063 248 HG22 VAL 36 HG22 VAL 36 4.397 8.050 4.190 249 HG23 VAL 36 HG23 VAL 36 5.554 6.862 3.589 250 H CYS 37 HN CYS 37 2.334 2.849 3.708 251 HA CYS 37 HA CYS 37 1.085 2.428 1.163 252 HB2 CYS 37 HB2 CYS 37 1.447 0.542 2.647 253 HB3 CYS 37 HB1 CYS 37 0.524 1.318 3.925 254 H LYS 38 HN LYS 38 -0.247 3.985 0.443 255 HA LYS 38 HA LYS 38 -1.989 5.374 2.332 256 HB2 LYS 38 HB2 LYS 38 -0.809 6.745 0.675 257 HB3 LYS 38 HB1 LYS 38 -1.561 5.834 -0.630 258 HG2 LYS 38 HG2 LYS 38 -3.781 6.580 0.519 259 HG3 LYS 38 HG1 LYS 38 -2.763 7.830 1.232 260 HD2 LYS 38 HD2 LYS 38 -3.053 7.288 -1.720 261 HD3 LYS 38 HD1 LYS 38 -3.878 8.567 -0.831 262 HE2 LYS 38 HE2 LYS 38 -1.674 9.505 -0.216 263 HE3 LYS 38 HE1 LYS 38 -0.903 8.269 -1.210 264 HZ1 LYS 38 HZ1 LYS 38 -1.113 10.323 -2.433 265 HZ2 LYS 38 HZ2 LYS 38 -2.783 10.358 -2.163 266 HZ3 LYS 38 HZ3 LYS 38 -2.111 9.146 -3.133 267 H CYS 39 HN CYS 39 -4.183 5.259 2.283 268 HA CYS 39 HA CYS 39 -5.318 3.176 0.543 269 HB2 CYS 39 HB2 CYS 39 -6.193 4.006 3.318 270 HB3 CYS 39 HB1 CYS 39 -7.021 2.829 2.307 271 H TYR 40 HN TYR 40 -7.018 3.713 -0.707 272 HA TYR 40 HA TYR 40 -8.358 6.266 -0.158 273 HB2 TYR 40 HB2 TYR 40 -8.500 6.725 -2.578 274 HB3 TYR 40 HB1 TYR 40 -6.831 6.679 -2.020 275 HD1 TYR 40 HD1 TYR 40 -5.296 5.097 -2.905 276 HD2 TYR 40 HD2 TYR 40 -9.418 4.840 -3.925 277 HE1 TYR 40 HE1 TYR 40 -4.756 3.496 -4.685 278 HE2 TYR 40 HE2 TYR 40 -8.887 3.234 -5.700 279 HH TYR 40 HH TYR 40 -5.910 1.684 -5.950 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 6.939 -1.952 7.671 2 H2 GLY 1 HT2 GLY 1 6.814 -3.115 6.452 3 H3 GLY 1 HT3 GLY 1 5.992 -3.331 7.912 4 HA2 GLY 1 HA1 GLY 1 4.634 -1.372 7.449 5 HA3 GLY 1 HA2 GLY 1 5.456 -1.220 5.904 6 H PHE 2 HN PHE 2 2.930 -1.362 5.513 7 HA PHE 2 HA PHE 2 1.923 -4.057 5.482 8 HB2 PHE 2 HB2 PHE 2 0.685 -1.514 4.411 9 HB3 PHE 2 HB1 PHE 2 -0.134 -3.064 4.575 10 HD1 PHE 2 HD1 PHE 2 -0.297 -4.052 6.933 11 HD2 PHE 2 HD2 PHE 2 0.635 0.021 6.146 12 HE1 PHE 2 HE1 PHE 2 -0.986 -3.457 9.219 13 HE2 PHE 2 HE2 PHE 2 -0.052 0.626 8.430 14 HZ PHE 2 HZ PHE 2 -0.839 -1.110 9.976 15 H GLY 3 HN GLY 3 3.990 -4.402 4.042 16 HA2 GLY 3 HA2 GLY 3 4.470 -5.386 1.968 17 HA3 GLY 3 HA1 GLY 3 3.034 -4.621 1.300 18 H CYS 4 HN CYS 4 3.823 -2.027 2.461 19 HA CYS 4 HA CYS 4 5.571 -1.193 0.306 20 HB2 CYS 4 HB2 CYS 4 4.083 0.406 2.394 21 HB3 CYS 4 HB1 CYS 4 4.959 1.081 1.023 22 H ASN 5 HN ASN 5 7.603 -1.889 0.888 23 HA ASN 5 HA ASN 5 8.679 -0.718 3.366 24 HB2 ASN 5 HB2 ASN 5 9.256 -3.388 2.089 25 HB3 ASN 5 HB1 ASN 5 10.304 -2.675 3.311 26 HD21 ASN 5 HD21 ASN 5 8.609 -5.116 3.310 27 HD22 ASN 5 HD22 ASN 5 7.624 -4.968 4.723 28 H GLY 6 HN GLY 6 8.629 0.499 0.725 29 HA2 GLY 6 HA2 GLY 6 10.331 2.167 0.293 30 HA3 GLY 6 HA1 GLY 6 11.546 0.929 0.557 31 HA PRO 7 HA PRO 7 10.417 1.894 -4.011 32 HB2 PRO 7 HB2 PRO 7 13.117 2.172 -4.677 33 HB3 PRO 7 HB1 PRO 7 11.966 3.482 -4.423 34 HG2 PRO 7 HG2 PRO 7 14.003 2.359 -2.570 35 HG3 PRO 7 HG1 PRO 7 13.441 4.032 -2.745 36 HD2 PRO 7 HD2 PRO 7 12.664 2.489 -0.693 37 HD3 PRO 7 HD1 PRO 7 11.567 3.670 -1.436 38 H TRP 8 HN TRP 8 12.728 -0.150 -2.413 39 HA TRP 8 HA TRP 8 12.995 -1.879 -4.756 40 HB2 TRP 8 HB2 TRP 8 14.337 -2.646 -2.242 41 HB3 TRP 8 HB1 TRP 8 14.977 -2.563 -3.878 42 HD1 TRP 8 HD1 TRP 8 14.533 -0.479 -0.724 43 HE1 TRP 8 HE1 TRP 8 15.984 1.641 -0.905 44 HE3 TRP 8 HE3 TRP 8 16.013 -0.935 -5.594 45 HZ2 TRP 8 HZ2 TRP 8 17.549 2.942 -2.862 46 HZ3 TRP 8 HZ3 TRP 8 17.487 0.790 -6.545 47 HH2 TRP 8 HH2 TRP 8 18.237 2.687 -5.207 48 H ASN 9 HN ASN 9 10.893 -1.568 -2.238 49 HA ASN 9 HA ASN 9 10.129 -4.367 -2.276 50 HB2 ASN 9 HB2 ASN 9 11.975 -3.922 -0.478 51 HB3 ASN 9 HB1 ASN 9 10.683 -3.129 0.410 52 HD21 ASN 9 HD21 ASN 9 8.611 -4.982 -0.463 53 HD22 ASN 9 HD22 ASN 9 8.908 -6.468 0.370 54 H GLU 10 HN GLU 10 8.786 -2.062 -3.200 55 HA GLU 10 HA GLU 10 6.740 -1.651 -1.145 56 HB2 GLU 10 HB2 GLU 10 5.944 0.176 -2.800 57 HB3 GLU 10 HB1 GLU 10 7.364 0.474 -1.811 58 HG2 GLU 10 HG2 GLU 10 8.820 0.056 -3.641 59 HG3 GLU 10 HG1 GLU 10 7.483 -0.508 -4.651 60 H ASP 11 HN ASP 11 5.643 -3.531 -1.347 61 HA ASP 11 HA ASP 11 4.585 -4.390 -3.889 62 HB2 ASP 11 HB2 ASP 11 4.229 -5.364 -1.056 63 HB3 ASP 11 HB1 ASP 11 3.319 -6.043 -2.401 64 H ASP 12 HN ASP 12 3.320 -2.703 -4.607 65 HA ASP 12 HA ASP 12 1.381 -1.303 -3.189 66 HB2 ASP 12 HB2 ASP 12 1.326 -2.075 -6.115 67 HB3 ASP 12 HB1 ASP 12 0.339 -0.821 -5.376 68 H LEU 13 HN LEU 13 1.261 -4.452 -4.694 69 HA LEU 13 HA LEU 13 -1.489 -4.907 -4.713 70 HB2 LEU 13 HB2 LEU 13 0.277 -6.330 -5.752 71 HB3 LEU 13 HB1 LEU 13 0.702 -6.909 -4.166 72 HG LEU 13 HG LEU 13 -0.817 -8.368 -5.690 73 HD11 LEU 13 HD11 LEU 13 -1.605 -7.867 -2.844 74 HD12 LEU 13 HD12 LEU 13 -0.226 -8.840 -3.360 75 HD13 LEU 13 HD13 LEU 13 -1.865 -9.343 -3.774 76 HD21 LEU 13 HD21 LEU 13 -3.195 -7.980 -5.416 77 HD22 LEU 13 HD22 LEU 13 -2.435 -6.603 -6.214 78 HD23 LEU 13 HD23 LEU 13 -2.865 -6.506 -4.507 79 H ARG 14 HN ARG 14 0.889 -5.716 -2.207 80 HA ARG 14 HA ARG 14 -0.919 -6.757 -0.332 81 HB2 ARG 14 HB2 ARG 14 1.794 -5.489 -0.054 82 HB3 ARG 14 HB1 ARG 14 0.912 -6.113 1.329 83 HG2 ARG 14 HG2 ARG 14 0.886 -8.330 0.351 84 HG3 ARG 14 HG1 ARG 14 1.670 -7.718 -1.104 85 HD2 ARG 14 HD2 ARG 14 3.290 -8.816 0.319 86 HD3 ARG 14 HD1 ARG 14 3.619 -7.085 0.227 87 HE ARG 14 HE ARG 14 2.065 -7.376 2.461 88 HH11 ARG 14 HH11 ARG 14 5.087 -8.758 1.370 89 HH12 ARG 14 HH12 ARG 14 5.727 -8.950 2.968 90 HH21 ARG 14 HH21 ARG 14 2.910 -7.600 4.565 91 HH22 ARG 14 HH22 ARG 14 4.492 -8.280 4.789 92 H CYS 15 HN CYS 15 0.420 -3.476 -0.581 93 HA CYS 15 HA CYS 15 -1.023 -2.259 1.458 94 HB2 CYS 15 HB2 CYS 15 0.748 -1.102 0.238 95 HB3 CYS 15 HB1 CYS 15 -0.223 -1.114 -1.229 96 H HIS 16 HN HIS 16 -1.924 -2.632 -1.957 97 HA HIS 16 HA HIS 16 -4.465 -1.566 -1.955 98 HB2 HIS 16 HB2 HIS 16 -3.633 -2.195 -4.043 99 HB3 HIS 16 HB1 HIS 16 -3.153 -3.788 -3.489 100 HD1 HIS 16 HD1 HIS 16 -6.186 -1.864 -4.628 101 HD2 HIS 16 HD2 HIS 16 -5.028 -5.775 -3.821 102 HE1 HIS 16 HE1 HIS 16 -8.084 -3.302 -5.420 103 HE2 HIS 16 HE2 HIS 16 -7.448 -5.643 -4.736 104 H ASN 17 HN ASN 17 -3.557 -4.930 -1.240 105 HA ASN 17 HA ASN 17 -6.167 -5.836 -0.737 106 HB2 ASN 17 HB2 ASN 17 -3.466 -6.875 0.095 107 HB3 ASN 17 HB1 ASN 17 -4.956 -7.707 0.496 108 HD21 ASN 17 HD21 ASN 17 -2.810 -8.664 -1.122 109 HD22 ASN 17 HD22 ASN 17 -3.432 -8.939 -2.719 110 H HIS 18 HN HIS 18 -3.733 -4.416 1.376 111 HA HIS 18 HA HIS 18 -5.074 -4.854 3.817 112 HB2 HIS 18 HB2 HIS 18 -2.728 -4.149 3.739 113 HB3 HIS 18 HB1 HIS 18 -3.196 -2.608 3.034 114 HD1 HIS 18 HD1 HIS 18 -4.067 -4.542 6.211 115 HD2 HIS 18 HD2 HIS 18 -3.297 -0.676 4.896 116 HE1 HIS 18 HE1 HIS 18 -4.204 -3.091 8.261 117 HE2 HIS 18 HE2 HIS 18 -3.907 -0.739 7.411 118 H CYS 19 HN CYS 19 -5.219 -2.226 1.462 119 HA CYS 19 HA CYS 19 -7.020 -0.630 2.985 120 HB2 CYS 19 HB2 CYS 19 -6.364 -0.558 0.037 121 HB3 CYS 19 HB1 CYS 19 -7.232 0.694 0.920 122 H LYS 20 HN LYS 20 -7.430 -3.315 0.856 123 HA LYS 20 HA LYS 20 -10.241 -2.874 0.422 124 HB2 LYS 20 HB2 LYS 20 -8.402 -5.202 -0.066 125 HB3 LYS 20 HB1 LYS 20 -10.137 -5.338 -0.304 126 HG2 LYS 20 HG2 LYS 20 -8.392 -3.311 -1.677 127 HG3 LYS 20 HG1 LYS 20 -8.861 -4.856 -2.376 128 HD2 LYS 20 HD2 LYS 20 -10.783 -2.706 -1.478 129 HD3 LYS 20 HD1 LYS 20 -10.277 -2.980 -3.146 130 HE2 LYS 20 HE2 LYS 20 -11.180 -5.259 -3.018 131 HE3 LYS 20 HE1 LYS 20 -11.735 -4.940 -1.379 132 HZ1 LYS 20 HZ1 LYS 20 -13.502 -4.687 -3.029 133 HZ2 LYS 20 HZ2 LYS 20 -12.631 -3.453 -3.786 134 HZ3 LYS 20 HZ3 LYS 20 -13.198 -3.240 -2.211 135 H SER 21 HN SER 21 -8.239 -4.468 2.765 136 HA SER 21 HA SER 21 -10.356 -5.852 4.094 137 HB2 SER 21 HB2 SER 21 -7.641 -5.015 5.145 138 HB3 SER 21 HB1 SER 21 -8.716 -6.202 5.881 139 HG SER 21 HG SER 21 -8.062 -7.645 4.497 140 H ILE 22 HN ILE 22 -9.400 -2.609 3.923 141 HA ILE 22 HA ILE 22 -10.734 -1.926 6.443 142 HB ILE 22 HB ILE 22 -9.206 -0.094 4.587 143 HG12 ILE 22 HG12 ILE 22 -8.266 -1.405 7.149 144 HG13 ILE 22 HG11 ILE 22 -7.755 -1.872 5.531 145 HG21 ILE 22 HG21 ILE 22 -9.159 1.398 6.548 146 HG22 ILE 22 HG22 ILE 22 -10.164 0.246 7.426 147 HG23 ILE 22 HG23 ILE 22 -10.800 1.062 5.999 148 HD11 ILE 22 HD11 ILE 22 -7.272 0.800 6.828 149 HD12 ILE 22 HD12 ILE 22 -6.752 0.325 5.211 150 HD13 ILE 22 HD13 ILE 22 -6.086 -0.490 6.627 151 H LYS 23 HN LYS 23 -12.811 -1.363 6.340 152 HA LYS 23 HA LYS 23 -14.217 -1.051 3.925 153 HB2 LYS 23 HB2 LYS 23 -15.096 -1.746 6.242 154 HB3 LYS 23 HB1 LYS 23 -15.145 -0.024 6.592 155 HG2 LYS 23 HG2 LYS 23 -16.655 0.324 4.712 156 HG3 LYS 23 HG1 LYS 23 -16.602 -1.404 4.367 157 HD2 LYS 23 HD2 LYS 23 -18.619 -0.902 5.591 158 HD3 LYS 23 HD1 LYS 23 -17.538 -1.842 6.618 159 HE2 LYS 23 HE2 LYS 23 -16.840 0.172 7.773 160 HE3 LYS 23 HE1 LYS 23 -17.824 1.159 6.695 161 HZ1 LYS 23 HZ1 LYS 23 -18.902 0.764 8.835 162 HZ2 LYS 23 HZ2 LYS 23 -18.875 -0.902 8.553 163 HZ3 LYS 23 HZ3 LYS 23 -19.798 0.104 7.560 164 H GLY 24 HN GLY 24 -14.763 0.719 2.779 165 HA2 GLY 24 HA2 GLY 24 -15.316 3.030 2.583 166 HA3 GLY 24 HA1 GLY 24 -14.268 3.364 3.951 167 H TYR 25 HN TYR 25 -12.868 1.223 1.744 168 HA TYR 25 HA TYR 25 -11.645 3.379 0.172 169 HB2 TYR 25 HB2 TYR 25 -10.123 1.175 1.581 170 HB3 TYR 25 HB1 TYR 25 -9.426 2.285 0.409 171 HD1 TYR 25 HD1 TYR 25 -9.938 1.676 3.823 172 HD2 TYR 25 HD2 TYR 25 -9.726 4.847 1.000 173 HE1 TYR 25 HE1 TYR 25 -9.401 3.245 5.635 174 HE2 TYR 25 HE2 TYR 25 -9.189 6.427 2.806 175 HH TYR 25 HH TYR 25 -9.491 6.601 5.262 176 H LYS 26 HN LYS 26 -10.627 2.603 -1.825 177 HA LYS 26 HA LYS 26 -11.759 0.017 -2.667 178 HB2 LYS 26 HB2 LYS 26 -11.953 0.941 -4.967 179 HB3 LYS 26 HB1 LYS 26 -13.033 1.683 -3.802 180 HG2 LYS 26 HG2 LYS 26 -10.418 2.974 -4.426 181 HG3 LYS 26 HG1 LYS 26 -11.758 3.117 -5.560 182 HD2 LYS 26 HD2 LYS 26 -13.153 3.945 -3.624 183 HD3 LYS 26 HD1 LYS 26 -11.655 4.030 -2.693 184 HE2 LYS 26 HE2 LYS 26 -10.736 5.485 -4.545 185 HE3 LYS 26 HE1 LYS 26 -12.374 5.557 -5.185 186 HZ1 LYS 26 HZ1 LYS 26 -11.847 7.459 -3.778 187 HZ2 LYS 26 HZ2 LYS 26 -11.563 6.424 -2.468 188 HZ3 LYS 26 HZ3 LYS 26 -13.117 6.548 -3.132 189 H GLY 27 HN GLY 27 -8.937 1.874 -2.323 190 HA2 GLY 27 HA2 GLY 27 -7.383 -0.313 -3.372 191 HA3 GLY 27 HA1 GLY 27 -7.283 1.135 -4.361 192 H GLY 28 HN GLY 28 -4.979 0.305 -3.417 193 HA2 GLY 28 HA2 GLY 28 -4.241 2.407 -1.559 194 HA3 GLY 28 HA1 GLY 28 -3.976 0.767 -0.980 195 H TYR 29 HN TYR 29 -1.987 2.817 -1.503 196 HA TYR 29 HA TYR 29 -0.219 1.243 -3.154 197 HB2 TYR 29 HB2 TYR 29 0.295 2.916 -4.793 198 HB3 TYR 29 HB1 TYR 29 -1.448 2.694 -4.801 199 HD1 TYR 29 HD1 TYR 29 -2.644 4.374 -2.974 200 HD2 TYR 29 HD2 TYR 29 1.001 5.081 -5.053 201 HE1 TYR 29 HE1 TYR 29 -2.947 6.793 -2.673 202 HE2 TYR 29 HE2 TYR 29 0.705 7.503 -4.757 203 HH TYR 29 HH TYR 29 -1.149 9.094 -4.380 204 H CYS 30 HN CYS 30 1.997 1.950 -2.996 205 HA CYS 30 HA CYS 30 2.539 3.139 -0.418 206 HB2 CYS 30 HB2 CYS 30 4.658 2.333 -2.395 207 HB3 CYS 30 HB1 CYS 30 4.706 2.296 -0.640 208 H ALA 31 HN ALA 31 2.400 5.284 -0.312 209 HA ALA 31 HA ALA 31 2.852 6.871 -2.695 210 HB1 ALA 31 HB1 ALA 31 0.873 7.284 -1.328 211 HB2 ALA 31 HB2 ALA 31 1.903 8.712 -1.420 212 HB3 ALA 31 HB3 ALA 31 1.904 7.719 0.036 213 H LYS 32 HN LYS 32 3.736 7.697 0.644 214 HA LYS 32 HA LYS 32 5.826 9.343 -0.229 215 HB2 LYS 32 HB2 LYS 32 5.234 8.309 2.538 216 HB3 LYS 32 HB1 LYS 32 6.351 9.613 2.163 217 HG2 LYS 32 HG2 LYS 32 3.379 9.614 1.687 218 HG3 LYS 32 HG1 LYS 32 4.247 10.508 2.934 219 HD2 LYS 32 HD2 LYS 32 5.453 11.740 1.170 220 HD3 LYS 32 HD1 LYS 32 4.501 10.887 -0.045 221 HE2 LYS 32 HE2 LYS 32 3.560 13.078 0.365 222 HE3 LYS 32 HE1 LYS 32 2.450 11.827 0.918 223 HZ1 LYS 32 HZ1 LYS 32 4.270 13.431 2.628 224 HZ2 LYS 32 HZ2 LYS 32 3.248 12.205 3.179 225 HZ3 LYS 32 HZ3 LYS 32 2.594 13.613 2.513 226 H GLY 33 HN GLY 33 7.522 8.492 -1.230 227 HA2 GLY 33 HA2 GLY 33 9.593 7.532 -1.409 228 HA3 GLY 33 HA1 GLY 33 9.529 7.243 0.320 229 H GLY 34 HN GLY 34 6.913 5.888 -1.368 230 HA2 GLY 34 HA2 GLY 34 6.391 3.715 -1.930 231 HA3 GLY 34 HA1 GLY 34 8.114 3.379 -2.016 232 H PHE 35 HN PHE 35 7.293 4.775 0.938 233 HA PHE 35 HA PHE 35 7.428 2.131 2.198 234 HB2 PHE 35 HB2 PHE 35 8.107 4.888 3.230 235 HB3 PHE 35 HB1 PHE 35 7.981 3.492 4.290 236 HD1 PHE 35 HD1 PHE 35 9.961 5.175 1.750 237 HD2 PHE 35 HD2 PHE 35 9.640 1.705 4.189 238 HE1 PHE 35 HE1 PHE 35 12.303 4.615 1.253 239 HE2 PHE 35 HE2 PHE 35 11.986 1.141 3.700 240 HZ PHE 35 HZ PHE 35 13.349 2.629 2.336 241 H VAL 36 HN VAL 36 5.521 5.079 2.084 242 HA VAL 36 HA VAL 36 3.866 4.131 4.286 243 HB VAL 36 HB VAL 36 3.668 6.734 2.764 244 HG11 VAL 36 HG11 VAL 36 1.580 6.091 3.844 245 HG12 VAL 36 HG12 VAL 36 2.309 7.472 4.662 246 HG13 VAL 36 HG13 VAL 36 2.427 5.863 5.373 247 HG21 VAL 36 HG21 VAL 36 4.765 7.732 4.717 248 HG22 VAL 36 HG22 VAL 36 5.804 6.548 3.924 249 HG23 VAL 36 HG23 VAL 36 4.968 6.128 5.419 250 H CYS 37 HN CYS 37 2.348 2.748 3.799 251 HA CYS 37 HA CYS 37 1.073 2.569 1.244 252 HB2 CYS 37 HB2 CYS 37 1.333 0.553 2.522 253 HB3 CYS 37 HB1 CYS 37 0.564 1.272 3.930 254 H LYS 38 HN LYS 38 -0.562 3.828 0.548 255 HA LYS 38 HA LYS 38 -2.252 5.090 2.604 256 HB2 LYS 38 HB2 LYS 38 -0.850 6.653 1.171 257 HB3 LYS 38 HB1 LYS 38 -1.858 6.170 -0.183 258 HG2 LYS 38 HG2 LYS 38 -3.821 7.013 0.895 259 HG3 LYS 38 HG1 LYS 38 -2.924 7.352 2.371 260 HD2 LYS 38 HD2 LYS 38 -3.223 9.412 1.251 261 HD3 LYS 38 HD1 LYS 38 -1.534 8.957 1.031 262 HE2 LYS 38 HE2 LYS 38 -2.022 8.151 -1.205 263 HE3 LYS 38 HE1 LYS 38 -3.732 8.515 -0.985 264 HZ1 LYS 38 HZ1 LYS 38 -2.624 10.235 -2.252 265 HZ2 LYS 38 HZ2 LYS 38 -1.527 10.499 -0.994 266 HZ3 LYS 38 HZ3 LYS 38 -3.166 10.855 -0.773 267 H CYS 39 HN CYS 39 -4.425 5.141 2.307 268 HA CYS 39 HA CYS 39 -5.442 3.248 0.298 269 HB2 CYS 39 HB2 CYS 39 -6.599 3.955 3.004 270 HB3 CYS 39 HB1 CYS 39 -7.280 2.796 1.868 271 H TYR 40 HN TYR 40 -7.078 3.873 -1.020 272 HA TYR 40 HA TYR 40 -8.274 6.502 -0.512 273 HB2 TYR 40 HB2 TYR 40 -8.310 6.874 -2.992 274 HB3 TYR 40 HB1 TYR 40 -6.709 6.908 -2.271 275 HD1 TYR 40 HD1 TYR 40 -5.009 5.555 -3.135 276 HD2 TYR 40 HD2 TYR 40 -9.047 4.727 -4.164 277 HE1 TYR 40 HE1 TYR 40 -4.245 3.928 -4.809 278 HE2 TYR 40 HE2 TYR 40 -8.305 3.094 -5.833 279 HH TYR 40 HH TYR 40 -5.022 2.030 -6.023 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 6.186 -0.859 4.934 2 H2 GLY 1 HT2 GLY 1 5.747 -0.214 6.434 3 H3 GLY 1 HT3 GLY 1 6.198 0.816 5.172 4 HA2 GLY 1 HA1 GLY 1 3.798 0.799 5.489 5 HA3 GLY 1 HA2 GLY 1 4.269 0.214 3.900 6 H PHE 2 HN PHE 2 2.205 -0.853 3.827 7 HA PHE 2 HA PHE 2 2.017 -3.236 5.508 8 HB2 PHE 2 HB2 PHE 2 -0.136 -1.869 3.880 9 HB3 PHE 2 HB1 PHE 2 -0.373 -3.268 4.921 10 HD1 PHE 2 HD1 PHE 2 -0.423 -3.040 7.321 11 HD2 PHE 2 HD2 PHE 2 0.189 0.340 4.809 12 HE1 PHE 2 HE1 PHE 2 -0.901 -1.547 9.216 13 HE2 PHE 2 HE2 PHE 2 -0.286 1.838 6.701 14 HZ PHE 2 HZ PHE 2 -0.833 0.895 8.907 15 H GLY 3 HN GLY 3 3.845 -3.328 3.530 16 HA2 GLY 3 HA2 GLY 3 3.799 -5.362 1.935 17 HA3 GLY 3 HA1 GLY 3 2.606 -4.371 1.095 18 H CYS 4 HN CYS 4 3.623 -1.873 1.402 19 HA CYS 4 HA CYS 4 5.986 -1.885 -0.243 20 HB2 CYS 4 HB2 CYS 4 4.580 0.501 0.972 21 HB3 CYS 4 HB1 CYS 4 5.692 0.507 -0.394 22 H ASN 5 HN ASN 5 7.712 -2.591 0.949 23 HA ASN 5 HA ASN 5 8.269 -1.136 3.452 24 HB2 ASN 5 HB2 ASN 5 8.732 -4.074 2.885 25 HB3 ASN 5 HB1 ASN 5 9.259 -3.235 4.339 26 HD21 ASN 5 HD21 ASN 5 7.425 -5.495 3.981 27 HD22 ASN 5 HD22 ASN 5 5.939 -5.017 4.730 28 H GLY 6 HN GLY 6 9.287 -0.142 1.162 29 HA2 GLY 6 HA2 GLY 6 11.902 0.299 1.556 30 HA3 GLY 6 HA1 GLY 6 11.925 -1.240 0.711 31 HA PRO 7 HA PRO 7 11.522 2.214 -2.471 32 HB2 PRO 7 HB2 PRO 7 14.095 2.412 -3.270 33 HB3 PRO 7 HB1 PRO 7 13.445 3.406 -1.961 34 HG2 PRO 7 HG2 PRO 7 15.054 0.880 -1.796 35 HG3 PRO 7 HG1 PRO 7 15.246 2.382 -0.880 36 HD2 PRO 7 HD2 PRO 7 13.987 0.217 0.139 37 HD3 PRO 7 HD1 PRO 7 13.517 1.876 0.562 38 H TRP 8 HN TRP 8 13.613 -0.591 -2.194 39 HA TRP 8 HA TRP 8 13.032 -1.407 -4.943 40 HB2 TRP 8 HB2 TRP 8 14.776 -3.042 -4.650 41 HB3 TRP 8 HB1 TRP 8 15.372 -1.518 -4.001 42 HD1 TRP 8 HD1 TRP 8 14.895 -1.339 -1.147 43 HE1 TRP 8 HE1 TRP 8 15.401 -3.162 0.595 44 HE3 TRP 8 HE3 TRP 8 15.076 -5.393 -4.253 45 HZ2 TRP 8 HZ2 TRP 8 15.824 -5.946 0.641 46 HZ3 TRP 8 HZ3 TRP 8 15.540 -7.601 -3.277 47 HH2 TRP 8 HH2 TRP 8 15.907 -7.871 -0.881 48 H ASN 9 HN ASN 9 11.629 -1.652 -2.004 49 HA ASN 9 HA ASN 9 10.586 -4.357 -2.489 50 HB2 ASN 9 HB2 ASN 9 12.332 -4.324 -0.689 51 HB3 ASN 9 HB1 ASN 9 11.317 -3.215 0.221 52 HD21 ASN 9 HD21 ASN 9 11.152 -4.636 1.938 53 HD22 ASN 9 HD22 ASN 9 10.190 -6.073 1.864 54 H GLU 10 HN GLU 10 9.508 -1.758 -3.161 55 HA GLU 10 HA GLU 10 7.285 -1.458 -1.324 56 HB2 GLU 10 HB2 GLU 10 6.704 0.325 -3.237 57 HB3 GLU 10 HB1 GLU 10 7.783 0.672 -1.896 58 HG2 GLU 10 HG2 GLU 10 9.711 0.216 -3.263 59 HG3 GLU 10 HG1 GLU 10 8.672 -0.265 -4.614 60 H ASP 11 HN ASP 11 5.868 -3.082 -1.564 61 HA ASP 11 HA ASP 11 4.971 -3.768 -4.274 62 HB2 ASP 11 HB2 ASP 11 5.726 -5.667 -2.932 63 HB3 ASP 11 HB1 ASP 11 4.589 -5.240 -1.657 64 H ASP 12 HN ASP 12 3.250 -2.697 -4.927 65 HA ASP 12 HA ASP 12 1.556 -1.276 -3.116 66 HB2 ASP 12 HB2 ASP 12 1.323 -1.717 -6.101 67 HB3 ASP 12 HB1 ASP 12 0.309 -0.624 -5.170 68 H LEU 13 HN LEU 13 1.531 -4.478 -4.226 69 HA LEU 13 HA LEU 13 -1.289 -4.776 -4.594 70 HB2 LEU 13 HB2 LEU 13 0.851 -6.236 -5.333 71 HB3 LEU 13 HB1 LEU 13 0.359 -7.132 -3.919 72 HG LEU 13 HG LEU 13 -0.681 -8.216 -5.738 73 HD11 LEU 13 HD11 LEU 13 -3.059 -7.898 -5.396 74 HD12 LEU 13 HD12 LEU 13 -2.748 -6.374 -4.570 75 HD13 LEU 13 HD13 LEU 13 -2.187 -7.887 -3.865 76 HD21 LEU 13 HD21 LEU 13 -1.990 -7.068 -7.442 77 HD22 LEU 13 HD22 LEU 13 -0.329 -6.477 -7.407 78 HD23 LEU 13 HD23 LEU 13 -1.622 -5.516 -6.689 79 H ARG 14 HN ARG 14 0.992 -5.810 -2.048 80 HA ARG 14 HA ARG 14 -0.928 -6.892 -0.315 81 HB2 ARG 14 HB2 ARG 14 1.859 -5.971 -0.024 82 HB3 ARG 14 HB1 ARG 14 0.906 -5.900 1.447 83 HG2 ARG 14 HG2 ARG 14 1.353 -8.043 1.752 84 HG3 ARG 14 HG1 ARG 14 0.324 -8.392 0.367 85 HD2 ARG 14 HD2 ARG 14 3.285 -7.847 0.255 86 HD3 ARG 14 HD1 ARG 14 2.541 -9.441 0.187 87 HE ARG 14 HE ARG 14 2.374 -7.354 -1.889 88 HH11 ARG 14 HH11 ARG 14 1.889 -10.686 -0.892 89 HH12 ARG 14 HH12 ARG 14 1.728 -11.272 -2.517 90 HH21 ARG 14 HH21 ARG 14 2.162 -8.119 -3.999 91 HH22 ARG 14 HH22 ARG 14 1.870 -9.805 -4.290 92 H CYS 15 HN CYS 15 0.234 -3.560 -0.597 93 HA CYS 15 HA CYS 15 -1.307 -2.597 1.558 94 HB2 CYS 15 HB2 CYS 15 0.104 -1.283 -0.748 95 HB3 CYS 15 HB1 CYS 15 -0.800 -0.371 0.443 96 H HIS 16 HN HIS 16 -1.900 -2.878 -1.916 97 HA HIS 16 HA HIS 16 -4.405 -1.623 -2.019 98 HB2 HIS 16 HB2 HIS 16 -3.434 -2.216 -4.092 99 HB3 HIS 16 HB1 HIS 16 -3.146 -3.872 -3.585 100 HD1 HIS 16 HD1 HIS 16 -6.065 -1.613 -4.493 101 HD2 HIS 16 HD2 HIS 16 -5.026 -5.635 -4.431 102 HE1 HIS 16 HE1 HIS 16 -8.013 -2.829 -5.508 103 HE2 HIS 16 HE2 HIS 16 -7.252 -5.221 -5.682 104 H ASN 17 HN ASN 17 -3.577 -5.022 -1.419 105 HA ASN 17 HA ASN 17 -6.189 -5.932 -0.948 106 HB2 ASN 17 HB2 ASN 17 -3.502 -6.966 -0.045 107 HB3 ASN 17 HB1 ASN 17 -5.004 -7.822 0.248 108 HD21 ASN 17 HD21 ASN 17 -2.703 -8.637 -1.300 109 HD22 ASN 17 HD22 ASN 17 -3.268 -8.931 -2.909 110 H HIS 18 HN HIS 18 -3.702 -4.697 1.211 111 HA HIS 18 HA HIS 18 -4.940 -4.928 3.669 112 HB2 HIS 18 HB2 HIS 18 -2.736 -4.120 3.699 113 HB3 HIS 18 HB1 HIS 18 -3.070 -2.905 2.484 114 HD1 HIS 18 HD1 HIS 18 -2.637 -0.712 3.579 115 HD2 HIS 18 HD2 HIS 18 -4.808 -3.295 5.947 116 HE1 HIS 18 HE1 HIS 18 -3.207 0.604 5.644 117 HE2 HIS 18 HE2 HIS 18 -4.338 -1.053 7.164 118 H CYS 19 HN CYS 19 -4.962 -2.007 1.687 119 HA CYS 19 HA CYS 19 -6.744 -0.587 3.251 120 HB2 CYS 19 HB2 CYS 19 -6.149 -0.280 0.306 121 HB3 CYS 19 HB1 CYS 19 -6.955 0.925 1.300 122 H LYS 20 HN LYS 20 -7.457 -2.689 0.456 123 HA LYS 20 HA LYS 20 -10.186 -1.845 0.323 124 HB2 LYS 20 HB2 LYS 20 -10.522 -3.578 -1.297 125 HB3 LYS 20 HB1 LYS 20 -8.966 -2.826 -1.614 126 HG2 LYS 20 HG2 LYS 20 -7.782 -4.669 -0.798 127 HG3 LYS 20 HG1 LYS 20 -9.208 -5.343 -0.006 128 HD2 LYS 20 HD2 LYS 20 -10.224 -5.638 -2.269 129 HD3 LYS 20 HD1 LYS 20 -8.678 -5.151 -2.965 130 HE2 LYS 20 HE2 LYS 20 -7.575 -7.029 -1.908 131 HE3 LYS 20 HE1 LYS 20 -9.073 -7.484 -1.098 132 HZ1 LYS 20 HZ1 LYS 20 -10.066 -7.943 -3.235 133 HZ2 LYS 20 HZ2 LYS 20 -8.641 -8.835 -3.060 134 HZ3 LYS 20 HZ3 LYS 20 -8.659 -7.456 -4.038 135 H SER 21 HN SER 21 -8.527 -3.887 2.440 136 HA SER 21 HA SER 21 -10.879 -5.454 3.133 137 HB2 SER 21 HB2 SER 21 -8.115 -5.390 4.376 138 HB3 SER 21 HB1 SER 21 -9.401 -6.519 4.802 139 HG SER 21 HG SER 21 -7.891 -6.344 2.425 140 H ILE 22 HN ILE 22 -9.879 -2.408 3.664 141 HA ILE 22 HA ILE 22 -11.041 -2.249 6.359 142 HB ILE 22 HB ILE 22 -9.473 -0.156 4.839 143 HG12 ILE 22 HG12 ILE 22 -8.630 -1.893 7.169 144 HG13 ILE 22 HG11 ILE 22 -8.068 -2.064 5.509 145 HG21 ILE 22 HG21 ILE 22 -11.088 0.800 6.397 146 HG22 ILE 22 HG22 ILE 22 -9.439 1.060 6.961 147 HG23 ILE 22 HG23 ILE 22 -10.434 -0.195 7.698 148 HD11 ILE 22 HD11 ILE 22 -6.432 -0.922 6.909 149 HD12 ILE 22 HD12 ILE 22 -7.618 0.334 7.270 150 HD13 ILE 22 HD13 ILE 22 -7.026 0.128 5.622 151 H LYS 23 HN LYS 23 -13.012 -1.365 6.578 152 HA LYS 23 HA LYS 23 -14.612 -0.793 4.338 153 HB2 LYS 23 HB2 LYS 23 -15.256 -1.484 6.774 154 HB3 LYS 23 HB1 LYS 23 -15.253 0.251 7.066 155 HG2 LYS 23 HG2 LYS 23 -16.923 0.575 5.340 156 HG3 LYS 23 HG1 LYS 23 -16.900 -1.153 4.981 157 HD2 LYS 23 HD2 LYS 23 -17.704 0.087 7.610 158 HD3 LYS 23 HD1 LYS 23 -18.812 -0.539 6.390 159 HE2 LYS 23 HE2 LYS 23 -16.734 -2.152 7.872 160 HE3 LYS 23 HE1 LYS 23 -18.460 -2.134 8.222 161 HZ1 LYS 23 HZ1 LYS 23 -17.856 -4.048 6.890 162 HZ2 LYS 23 HZ2 LYS 23 -17.224 -3.050 5.683 163 HZ3 LYS 23 HZ3 LYS 23 -18.881 -3.026 6.015 164 H GLY 24 HN GLY 24 -14.972 1.028 3.257 165 HA2 GLY 24 HA2 GLY 24 -15.166 3.417 3.103 166 HA3 GLY 24 HA1 GLY 24 -13.952 3.554 4.366 167 H TYR 25 HN TYR 25 -12.593 1.234 2.713 168 HA TYR 25 HA TYR 25 -11.422 2.997 0.665 169 HB2 TYR 25 HB2 TYR 25 -9.868 1.080 2.415 170 HB3 TYR 25 HB1 TYR 25 -9.202 2.125 1.167 171 HD1 TYR 25 HD1 TYR 25 -9.621 1.774 4.585 172 HD2 TYR 25 HD2 TYR 25 -9.866 4.717 1.531 173 HE1 TYR 25 HE1 TYR 25 -9.282 3.528 6.267 174 HE2 TYR 25 HE2 TYR 25 -9.530 6.489 3.203 175 HH TYR 25 HH TYR 25 -8.451 5.863 6.344 176 H LYS 26 HN LYS 26 -10.568 1.949 -1.187 177 HA LYS 26 HA LYS 26 -11.255 -0.891 -1.463 178 HB2 LYS 26 HB2 LYS 26 -12.045 -0.335 -3.823 179 HB3 LYS 26 HB1 LYS 26 -13.129 0.051 -2.494 180 HG2 LYS 26 HG2 LYS 26 -13.310 2.035 -3.502 181 HG3 LYS 26 HG1 LYS 26 -11.725 2.376 -2.804 182 HD2 LYS 26 HD2 LYS 26 -10.647 1.573 -4.823 183 HD3 LYS 26 HD1 LYS 26 -12.214 1.177 -5.527 184 HE2 LYS 26 HE2 LYS 26 -11.314 3.945 -4.729 185 HE3 LYS 26 HE1 LYS 26 -11.318 3.312 -6.372 186 HZ1 LYS 26 HZ1 LYS 26 -13.269 4.685 -5.870 187 HZ2 LYS 26 HZ2 LYS 26 -13.729 3.596 -4.664 188 HZ3 LYS 26 HZ3 LYS 26 -13.694 3.102 -6.281 189 H GLY 27 HN GLY 27 -8.830 1.207 -1.500 190 HA2 GLY 27 HA2 GLY 27 -7.148 -0.598 -2.948 191 HA3 GLY 27 HA1 GLY 27 -7.406 0.897 -3.833 192 H GLY 28 HN GLY 28 -4.889 0.192 -3.108 193 HA2 GLY 28 HA2 GLY 28 -4.102 2.405 -1.452 194 HA3 GLY 28 HA1 GLY 28 -3.811 0.842 -0.699 195 H TYR 29 HN TYR 29 -1.928 2.921 -1.672 196 HA TYR 29 HA TYR 29 -0.218 1.174 -3.261 197 HB2 TYR 29 HB2 TYR 29 0.236 2.951 -4.921 198 HB3 TYR 29 HB1 TYR 29 -1.446 2.437 -4.961 199 HD1 TYR 29 HD1 TYR 29 -3.214 3.923 -4.108 200 HD2 TYR 29 HD2 TYR 29 0.841 5.181 -4.269 201 HE1 TYR 29 HE1 TYR 29 -3.934 6.258 -3.847 202 HE2 TYR 29 HE2 TYR 29 0.133 7.520 -4.005 203 HH TYR 29 HH TYR 29 -3.042 8.391 -3.112 204 H CYS 30 HN CYS 30 2.025 1.912 -3.300 205 HA CYS 30 HA CYS 30 2.820 3.101 -0.821 206 HB2 CYS 30 HB2 CYS 30 4.772 2.970 -3.057 207 HB3 CYS 30 HB1 CYS 30 4.957 2.488 -1.380 208 H ALA 31 HN ALA 31 2.382 5.232 -0.513 209 HA ALA 31 HA ALA 31 2.550 7.023 -2.819 210 HB1 ALA 31 HB1 ALA 31 1.371 7.523 -0.090 211 HB2 ALA 31 HB2 ALA 31 0.475 7.048 -1.533 212 HB3 ALA 31 HB3 ALA 31 1.288 8.611 -1.475 213 H LYS 32 HN LYS 32 3.043 7.980 0.537 214 HA LYS 32 HA LYS 32 5.052 9.779 -0.237 215 HB2 LYS 32 HB2 LYS 32 4.459 8.909 2.586 216 HB3 LYS 32 HB1 LYS 32 5.185 10.420 2.066 217 HG2 LYS 32 HG2 LYS 32 2.344 9.549 1.579 218 HG3 LYS 32 HG1 LYS 32 2.883 10.752 2.746 219 HD2 LYS 32 HD2 LYS 32 3.463 11.064 -0.181 220 HD3 LYS 32 HD1 LYS 32 1.910 11.548 0.490 221 HE2 LYS 32 HE2 LYS 32 3.173 13.509 0.509 222 HE3 LYS 32 HE1 LYS 32 3.271 12.923 2.166 223 HZ1 LYS 32 HZ1 LYS 32 5.354 12.486 0.095 224 HZ2 LYS 32 HZ2 LYS 32 5.461 12.071 1.732 225 HZ3 LYS 32 HZ3 LYS 32 5.408 13.694 1.276 226 H GLY 33 HN GLY 33 7.043 9.263 -0.767 227 HA2 GLY 33 HA2 GLY 33 9.188 8.463 -0.563 228 HA3 GLY 33 HA1 GLY 33 8.755 7.838 1.020 229 H GLY 34 HN GLY 34 6.526 6.682 -1.126 230 HA2 GLY 34 HA2 GLY 34 6.245 4.627 -2.142 231 HA3 GLY 34 HA1 GLY 34 7.985 4.391 -2.067 232 H PHE 35 HN PHE 35 6.682 5.268 0.921 233 HA PHE 35 HA PHE 35 6.747 2.448 1.779 234 HB2 PHE 35 HB2 PHE 35 7.231 4.860 3.533 235 HB3 PHE 35 HB1 PHE 35 7.528 3.174 3.930 236 HD1 PHE 35 HD1 PHE 35 9.028 6.149 3.033 237 HD2 PHE 35 HD2 PHE 35 9.207 1.979 2.192 238 HE1 PHE 35 HE1 PHE 35 11.349 6.408 2.265 239 HE2 PHE 35 HE2 PHE 35 11.529 2.236 1.422 240 HZ PHE 35 HZ PHE 35 12.601 4.449 1.459 241 H VAL 36 HN VAL 36 5.154 5.568 2.253 242 HA VAL 36 HA VAL 36 3.212 4.485 4.074 243 HB VAL 36 HB VAL 36 3.275 7.171 2.690 244 HG11 VAL 36 HG11 VAL 36 1.595 6.193 5.000 245 HG12 VAL 36 HG12 VAL 36 1.018 6.594 3.381 246 HG13 VAL 36 HG13 VAL 36 1.667 7.858 4.424 247 HG21 VAL 36 HG21 VAL 36 5.199 6.820 4.149 248 HG22 VAL 36 HG22 VAL 36 4.124 6.366 5.471 249 HG23 VAL 36 HG23 VAL 36 4.098 8.013 4.840 250 H CYS 37 HN CYS 37 1.845 3.047 3.233 251 HA CYS 37 HA CYS 37 0.831 3.242 0.578 252 HB2 CYS 37 HB2 CYS 37 0.060 1.463 2.894 253 HB3 CYS 37 HB1 CYS 37 -0.453 1.258 1.230 254 H LYS 38 HN LYS 38 -0.559 4.781 0.097 255 HA LYS 38 HA LYS 38 -2.419 5.780 2.085 256 HB2 LYS 38 HB2 LYS 38 -1.103 7.158 0.372 257 HB3 LYS 38 HB1 LYS 38 -2.291 6.633 -0.799 258 HG2 LYS 38 HG2 LYS 38 -2.964 8.102 1.742 259 HG3 LYS 38 HG1 LYS 38 -2.670 8.898 0.201 260 HD2 LYS 38 HD2 LYS 38 -4.816 6.838 0.696 261 HD3 LYS 38 HD1 LYS 38 -5.071 8.582 0.713 262 HE2 LYS 38 HE2 LYS 38 -4.058 7.003 -1.650 263 HE3 LYS 38 HE1 LYS 38 -5.725 7.524 -1.422 264 HZ1 LYS 38 HZ1 LYS 38 -4.518 9.023 -2.875 265 HZ2 LYS 38 HZ2 LYS 38 -3.376 9.325 -1.666 266 HZ3 LYS 38 HZ3 LYS 38 -4.979 9.817 -1.455 267 H CYS 39 HN CYS 39 -4.453 5.288 2.204 268 HA CYS 39 HA CYS 39 -5.503 3.272 0.353 269 HB2 CYS 39 HB2 CYS 39 -6.526 4.088 3.083 270 HB3 CYS 39 HB1 CYS 39 -7.117 2.747 2.111 271 H TYR 40 HN TYR 40 -7.261 3.653 -0.891 272 HA TYR 40 HA TYR 40 -8.652 6.208 -0.485 273 HB2 TYR 40 HB2 TYR 40 -8.926 6.364 -2.962 274 HB3 TYR 40 HB1 TYR 40 -7.266 6.527 -2.416 275 HD1 TYR 40 HD1 TYR 40 -5.595 5.244 -3.432 276 HD2 TYR 40 HD2 TYR 40 -9.651 4.021 -3.776 277 HE1 TYR 40 HE1 TYR 40 -4.913 3.458 -4.973 278 HE2 TYR 40 HE2 TYR 40 -8.984 2.232 -5.320 279 HH TYR 40 HH TYR 40 -5.783 1.253 -5.727 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 6.458 -2.514 6.190 2 H2 GLY 1 HT2 GLY 1 5.569 -2.168 7.585 3 H3 GLY 1 HT3 GLY 1 6.611 -1.005 6.937 4 HA2 GLY 1 HA1 GLY 1 4.353 -0.438 6.395 5 HA3 GLY 1 HA2 GLY 1 5.245 -0.870 4.941 6 H PHE 2 HN PHE 2 2.646 -0.997 4.643 7 HA PHE 2 HA PHE 2 1.583 -3.561 5.410 8 HB2 PHE 2 HB2 PHE 2 0.347 -1.465 3.615 9 HB3 PHE 2 HB1 PHE 2 -0.485 -2.805 4.398 10 HD1 PHE 2 HD1 PHE 2 -0.668 -2.822 6.901 11 HD2 PHE 2 HD2 PHE 2 0.651 0.581 4.711 12 HE1 PHE 2 HE1 PHE 2 -1.159 -1.389 8.839 13 HE2 PHE 2 HE2 PHE 2 0.164 2.020 6.646 14 HZ PHE 2 HZ PHE 2 -0.730 1.039 8.712 15 H GLY 3 HN GLY 3 3.545 -4.429 4.143 16 HA2 GLY 3 HA2 GLY 3 3.981 -5.904 2.366 17 HA3 GLY 3 HA1 GLY 3 2.638 -5.196 1.480 18 H CYS 4 HN CYS 4 3.248 -2.543 1.634 19 HA CYS 4 HA CYS 4 5.535 -2.303 -0.118 20 HB2 CYS 4 HB2 CYS 4 3.553 -1.021 -0.679 21 HB3 CYS 4 HB1 CYS 4 3.551 -0.266 0.913 22 H ASN 5 HN ASN 5 7.490 -2.088 0.677 23 HA ASN 5 HA ASN 5 7.843 -0.570 3.179 24 HB2 ASN 5 HB2 ASN 5 9.341 -3.052 2.301 25 HB3 ASN 5 HB1 ASN 5 9.745 -2.081 3.712 26 HD21 ASN 5 HD21 ASN 5 7.482 -4.322 2.323 27 HD22 ASN 5 HD22 ASN 5 6.662 -4.711 3.795 28 H GLY 6 HN GLY 6 7.906 0.477 0.562 29 HA2 GLY 6 HA2 GLY 6 9.231 2.258 -0.191 30 HA3 GLY 6 HA1 GLY 6 10.606 1.573 0.656 31 HA PRO 7 HA PRO 7 10.891 1.409 -4.146 32 HB2 PRO 7 HB2 PRO 7 13.687 1.495 -3.228 33 HB3 PRO 7 HB1 PRO 7 12.876 2.470 -4.456 34 HG2 PRO 7 HG2 PRO 7 13.458 3.170 -1.756 35 HG3 PRO 7 HG1 PRO 7 12.590 4.132 -2.960 36 HD2 PRO 7 HD2 PRO 7 11.497 3.047 -0.645 37 HD3 PRO 7 HD1 PRO 7 10.576 3.612 -2.051 38 H TRP 8 HN TRP 8 12.551 -0.291 -1.543 39 HA TRP 8 HA TRP 8 13.664 -2.254 -3.364 40 HB2 TRP 8 HB2 TRP 8 14.053 -2.861 -0.566 41 HB3 TRP 8 HB1 TRP 8 15.247 -2.456 -1.797 42 HD1 TRP 8 HD1 TRP 8 13.350 -0.985 1.112 43 HE1 TRP 8 HE1 TRP 8 14.192 1.401 1.573 44 HE3 TRP 8 HE3 TRP 8 16.233 -0.334 -3.053 45 HZ2 TRP 8 HZ2 TRP 8 15.850 3.310 0.325 46 HZ3 TRP 8 HZ3 TRP 8 17.410 1.804 -3.343 47 HH2 TRP 8 HH2 TRP 8 17.223 3.587 -1.691 48 H ASN 9 HN ASN 9 10.754 -1.918 -1.837 49 HA ASN 9 HA ASN 9 9.911 -4.570 -2.382 50 HB2 ASN 9 HB2 ASN 9 11.172 -5.060 -0.317 51 HB3 ASN 9 HB1 ASN 9 10.236 -3.849 0.548 52 HD21 ASN 9 HD21 ASN 9 9.558 -5.401 2.033 53 HD22 ASN 9 HD22 ASN 9 8.349 -6.575 1.639 54 H GLU 10 HN GLU 10 8.835 -2.457 -3.384 55 HA GLU 10 HA GLU 10 6.712 -1.470 -1.652 56 HB2 GLU 10 HB2 GLU 10 6.311 -0.089 -3.916 57 HB3 GLU 10 HB1 GLU 10 7.436 0.411 -2.667 58 HG2 GLU 10 HG2 GLU 10 8.431 0.630 -4.856 59 HG3 GLU 10 HG1 GLU 10 9.278 -0.584 -3.902 60 H ASP 11 HN ASP 11 5.919 -3.794 -1.802 61 HA ASP 11 HA ASP 11 4.571 -4.566 -4.205 62 HB2 ASP 11 HB2 ASP 11 5.359 -6.171 -2.428 63 HB3 ASP 11 HB1 ASP 11 4.041 -5.592 -1.412 64 H ASP 12 HN ASP 12 2.959 -3.388 -4.943 65 HA ASP 12 HA ASP 12 1.374 -1.692 -3.292 66 HB2 ASP 12 HB2 ASP 12 1.925 -1.115 -5.618 67 HB3 ASP 12 HB1 ASP 12 0.998 -2.497 -6.184 68 H LEU 13 HN LEU 13 0.989 -4.911 -4.589 69 HA LEU 13 HA LEU 13 -1.820 -5.033 -4.546 70 HB2 LEU 13 HB2 LEU 13 0.147 -6.622 -5.480 71 HB3 LEU 13 HB1 LEU 13 -0.304 -7.509 -4.048 72 HG LEU 13 HG LEU 13 -1.540 -8.435 -5.874 73 HD11 LEU 13 HD11 LEU 13 -3.835 -8.099 -5.217 74 HD12 LEU 13 HD12 LEU 13 -3.392 -6.628 -4.351 75 HD13 LEU 13 HD13 LEU 13 -2.791 -8.190 -3.798 76 HD21 LEU 13 HD21 LEU 13 -2.546 -5.659 -6.473 77 HD22 LEU 13 HD22 LEU 13 -2.940 -7.137 -7.350 78 HD23 LEU 13 HD23 LEU 13 -1.297 -6.500 -7.391 79 H ARG 14 HN ARG 14 0.611 -6.216 -2.201 80 HA ARG 14 HA ARG 14 -1.126 -7.252 -0.297 81 HB2 ARG 14 HB2 ARG 14 1.520 -5.845 0.033 82 HB3 ARG 14 HB1 ARG 14 0.679 -6.614 1.366 83 HG2 ARG 14 HG2 ARG 14 0.805 -8.761 0.246 84 HG3 ARG 14 HG1 ARG 14 1.561 -8.001 -1.152 85 HD2 ARG 14 HD2 ARG 14 3.278 -9.035 0.149 86 HD3 ARG 14 HD1 ARG 14 3.422 -7.285 0.319 87 HE ARG 14 HE ARG 14 1.839 -8.427 2.398 88 HH11 ARG 14 HH11 ARG 14 5.151 -7.974 1.357 89 HH12 ARG 14 HH12 ARG 14 5.796 -8.010 2.965 90 HH21 ARG 14 HH21 ARG 14 2.688 -8.469 4.526 91 HH22 ARG 14 HH22 ARG 14 4.397 -8.297 4.767 92 H CYS 15 HN CYS 15 0.126 -3.927 -0.439 93 HA CYS 15 HA CYS 15 -1.429 -2.947 1.693 94 HB2 CYS 15 HB2 CYS 15 0.528 -1.749 0.776 95 HB3 CYS 15 HB1 CYS 15 -0.384 -1.403 -0.693 96 H HIS 16 HN HIS 16 -2.020 -3.038 -1.791 97 HA HIS 16 HA HIS 16 -4.472 -1.742 -1.921 98 HB2 HIS 16 HB2 HIS 16 -3.166 -2.480 -3.881 99 HB3 HIS 16 HB1 HIS 16 -3.516 -4.152 -3.487 100 HD1 HIS 16 HD1 HIS 16 -5.072 -1.076 -4.939 101 HD2 HIS 16 HD2 HIS 16 -5.986 -5.085 -4.352 102 HE1 HIS 16 HE1 HIS 16 -7.161 -1.489 -6.268 103 HE2 HIS 16 HE2 HIS 16 -7.604 -3.953 -6.025 104 H ASN 17 HN ASN 17 -3.748 -5.131 -1.211 105 HA ASN 17 HA ASN 17 -6.394 -6.017 -0.824 106 HB2 ASN 17 HB2 ASN 17 -3.730 -7.010 0.194 107 HB3 ASN 17 HB1 ASN 17 -5.237 -7.844 0.525 108 HD21 ASN 17 HD21 ASN 17 -2.947 -8.811 -0.929 109 HD22 ASN 17 HD22 ASN 17 -3.486 -9.179 -2.536 110 H HIS 18 HN HIS 18 -3.946 -4.802 1.425 111 HA HIS 18 HA HIS 18 -5.335 -5.139 3.815 112 HB2 HIS 18 HB2 HIS 18 -2.979 -4.549 3.796 113 HB3 HIS 18 HB1 HIS 18 -3.333 -3.009 3.032 114 HD1 HIS 18 HD1 HIS 18 -3.871 -4.813 6.323 115 HD2 HIS 18 HD2 HIS 18 -3.829 -0.975 4.750 116 HE1 HIS 18 HE1 HIS 18 -4.051 -3.275 8.302 117 HE2 HIS 18 HE2 HIS 18 -4.039 -0.951 7.329 118 H CYS 19 HN CYS 19 -5.280 -2.342 1.627 119 HA CYS 19 HA CYS 19 -6.977 -0.745 3.228 120 HB2 CYS 19 HB2 CYS 19 -6.385 -0.560 0.271 121 HB3 CYS 19 HB1 CYS 19 -7.164 0.692 1.232 122 H LYS 20 HN LYS 20 -7.630 -3.149 0.750 123 HA LYS 20 HA LYS 20 -10.372 -2.429 0.409 124 HB2 LYS 20 HB2 LYS 20 -8.860 -4.952 -0.236 125 HB3 LYS 20 HB1 LYS 20 -10.569 -4.741 -0.592 126 HG2 LYS 20 HG2 LYS 20 -10.041 -2.836 -2.020 127 HG3 LYS 20 HG1 LYS 20 -8.330 -3.035 -1.657 128 HD2 LYS 20 HD2 LYS 20 -8.744 -4.040 -3.778 129 HD3 LYS 20 HD1 LYS 20 -8.473 -5.336 -2.612 130 HE2 LYS 20 HE2 LYS 20 -10.873 -5.681 -2.416 131 HE3 LYS 20 HE1 LYS 20 -11.163 -4.350 -3.532 132 HZ1 LYS 20 HZ1 LYS 20 -9.962 -5.610 -5.238 133 HZ2 LYS 20 HZ2 LYS 20 -11.326 -6.436 -4.683 134 HZ3 LYS 20 HZ3 LYS 20 -9.790 -6.902 -4.161 135 H SER 21 HN SER 21 -8.619 -4.556 2.563 136 HA SER 21 HA SER 21 -10.843 -5.898 3.669 137 HB2 SER 21 HB2 SER 21 -8.436 -6.583 3.936 138 HB3 SER 21 HB1 SER 21 -8.232 -5.239 5.059 139 HG SER 21 HG SER 21 -10.241 -7.198 5.428 140 H ILE 22 HN ILE 22 -9.450 -2.761 4.175 141 HA ILE 22 HA ILE 22 -11.142 -2.182 6.468 142 HB ILE 22 HB ILE 22 -9.409 -0.273 4.892 143 HG12 ILE 22 HG12 ILE 22 -8.697 -1.737 7.441 144 HG13 ILE 22 HG11 ILE 22 -8.113 -2.190 5.842 145 HG21 ILE 22 HG21 ILE 22 -11.107 0.804 6.259 146 HG22 ILE 22 HG22 ILE 22 -9.503 1.085 6.937 147 HG23 ILE 22 HG23 ILE 22 -10.574 -0.109 7.670 148 HD11 ILE 22 HD11 ILE 22 -7.013 -0.017 5.639 149 HD12 ILE 22 HD12 ILE 22 -6.445 -0.917 7.044 150 HD13 ILE 22 HD13 ILE 22 -7.583 0.414 7.250 151 H LYS 23 HN LYS 23 -13.220 -1.624 6.142 152 HA LYS 23 HA LYS 23 -14.268 -1.164 3.584 153 HB2 LYS 23 HB2 LYS 23 -15.709 -2.080 5.192 154 HB3 LYS 23 HB1 LYS 23 -15.399 -0.793 6.345 155 HG2 LYS 23 HG2 LYS 23 -16.545 0.773 4.864 156 HG3 LYS 23 HG1 LYS 23 -16.889 -0.543 3.742 157 HD2 LYS 23 HD2 LYS 23 -17.843 -0.341 6.599 158 HD3 LYS 23 HD1 LYS 23 -18.823 -0.066 5.160 159 HE2 LYS 23 HE2 LYS 23 -18.435 -2.396 4.473 160 HE3 LYS 23 HE1 LYS 23 -17.493 -2.659 5.938 161 HZ1 LYS 23 HZ1 LYS 23 -20.361 -1.913 5.845 162 HZ2 LYS 23 HZ2 LYS 23 -19.457 -2.179 7.248 163 HZ3 LYS 23 HZ3 LYS 23 -19.753 -3.453 6.179 164 H GLY 24 HN GLY 24 -14.626 0.582 2.446 165 HA2 GLY 24 HA2 GLY 24 -15.100 2.980 2.339 166 HA3 GLY 24 HA1 GLY 24 -13.967 3.190 3.667 167 H TYR 25 HN TYR 25 -12.324 1.009 2.114 168 HA TYR 25 HA TYR 25 -11.142 2.907 0.194 169 HB2 TYR 25 HB2 TYR 25 -9.629 0.936 1.913 170 HB3 TYR 25 HB1 TYR 25 -8.931 2.087 0.778 171 HD1 TYR 25 HD1 TYR 25 -9.780 1.515 4.152 172 HD2 TYR 25 HD2 TYR 25 -9.499 4.593 1.236 173 HE1 TYR 25 HE1 TYR 25 -9.629 3.191 5.943 174 HE2 TYR 25 HE2 TYR 25 -9.345 6.276 3.013 175 HH TYR 25 HH TYR 25 -8.763 5.485 6.250 176 H LYS 26 HN LYS 26 -10.041 2.001 -1.599 177 HA LYS 26 HA LYS 26 -10.962 -0.714 -2.276 178 HB2 LYS 26 HB2 LYS 26 -10.973 0.072 -4.636 179 HB3 LYS 26 HB1 LYS 26 -12.176 0.825 -3.604 180 HG2 LYS 26 HG2 LYS 26 -10.252 2.626 -3.329 181 HG3 LYS 26 HG1 LYS 26 -9.798 1.989 -4.913 182 HD2 LYS 26 HD2 LYS 26 -12.604 2.779 -4.274 183 HD3 LYS 26 HD1 LYS 26 -11.425 3.972 -4.828 184 HE2 LYS 26 HE2 LYS 26 -12.588 3.275 -6.761 185 HE3 LYS 26 HE1 LYS 26 -11.036 2.447 -6.817 186 HZ1 LYS 26 HZ1 LYS 26 -12.881 0.984 -7.393 187 HZ2 LYS 26 HZ2 LYS 26 -13.585 1.244 -5.879 188 HZ3 LYS 26 HZ3 LYS 26 -12.098 0.451 -5.996 189 H GLY 27 HN GLY 27 -8.279 1.214 -1.719 190 HA2 GLY 27 HA2 GLY 27 -6.437 -0.827 -2.193 191 HA3 GLY 27 HA1 GLY 27 -6.458 0.190 -3.627 192 H GLY 28 HN GLY 28 -4.109 0.257 -2.682 193 HA2 GLY 28 HA2 GLY 28 -3.948 2.790 -1.198 194 HA3 GLY 28 HA1 GLY 28 -3.013 1.410 -0.640 195 H TYR 29 HN TYR 29 -1.564 3.552 -1.171 196 HA TYR 29 HA TYR 29 0.051 2.618 -3.378 197 HB2 TYR 29 HB2 TYR 29 0.206 4.797 -4.499 198 HB3 TYR 29 HB1 TYR 29 -1.439 4.182 -4.535 199 HD1 TYR 29 HD1 TYR 29 -3.029 5.066 -2.699 200 HD2 TYR 29 HD2 TYR 29 0.614 6.970 -3.759 201 HE1 TYR 29 HE1 TYR 29 -3.851 7.158 -1.711 202 HE2 TYR 29 HE2 TYR 29 -0.191 9.071 -2.767 203 HH TYR 29 HH TYR 29 -2.429 10.124 -2.270 204 H CYS 30 HN CYS 30 2.170 3.035 -3.091 205 HA CYS 30 HA CYS 30 3.040 3.992 -0.543 206 HB2 CYS 30 HB2 CYS 30 4.808 3.532 -2.941 207 HB3 CYS 30 HB1 CYS 30 5.224 3.388 -1.240 208 H ALA 31 HN ALA 31 2.721 6.128 -0.161 209 HA ALA 31 HA ALA 31 3.161 8.033 -2.328 210 HB1 ALA 31 HB1 ALA 31 1.998 8.477 0.415 211 HB2 ALA 31 HB2 ALA 31 1.075 8.169 -1.056 212 HB3 ALA 31 HB3 ALA 31 2.032 9.644 -0.906 213 H LYS 32 HN LYS 32 3.731 8.511 1.135 214 HA LYS 32 HA LYS 32 5.733 10.383 0.730 215 HB2 LYS 32 HB2 LYS 32 5.366 8.720 3.217 216 HB3 LYS 32 HB1 LYS 32 6.118 10.302 3.104 217 HG2 LYS 32 HG2 LYS 32 3.216 9.725 2.551 218 HG3 LYS 32 HG1 LYS 32 3.858 10.390 4.053 219 HD2 LYS 32 HD2 LYS 32 4.698 12.336 2.832 220 HD3 LYS 32 HD1 LYS 32 4.067 11.669 1.326 221 HE2 LYS 32 HE2 LYS 32 1.802 11.785 2.207 222 HE3 LYS 32 HE1 LYS 32 2.416 12.391 3.745 223 HZ1 LYS 32 HZ1 LYS 32 1.571 14.170 2.339 224 HZ2 LYS 32 HZ2 LYS 32 2.682 13.770 1.129 225 HZ3 LYS 32 HZ3 LYS 32 3.227 14.354 2.619 226 H GLY 33 HN GLY 33 7.556 9.932 -0.323 227 HA2 GLY 33 HA2 GLY 33 9.684 9.143 -0.643 228 HA3 GLY 33 HA1 GLY 33 9.570 8.386 0.936 229 H GLY 34 HN GLY 34 7.029 7.407 -1.019 230 HA2 GLY 34 HA2 GLY 34 6.618 5.445 -2.172 231 HA3 GLY 34 HA1 GLY 34 8.354 5.214 -2.314 232 H PHE 35 HN PHE 35 7.510 5.779 0.882 233 HA PHE 35 HA PHE 35 7.660 2.898 1.447 234 HB2 PHE 35 HB2 PHE 35 8.357 5.312 3.124 235 HB3 PHE 35 HB1 PHE 35 8.250 3.693 3.796 236 HD1 PHE 35 HD1 PHE 35 10.077 5.814 1.393 237 HD2 PHE 35 HD2 PHE 35 10.020 2.162 3.570 238 HE1 PHE 35 HE1 PHE 35 12.426 5.418 0.780 239 HE2 PHE 35 HE2 PHE 35 12.368 1.756 2.959 240 HZ PHE 35 HZ PHE 35 13.575 3.384 1.561 241 H VAL 36 HN VAL 36 5.883 5.840 2.250 242 HA VAL 36 HA VAL 36 4.189 4.412 4.118 243 HB VAL 36 HB VAL 36 4.038 7.289 3.210 244 HG11 VAL 36 HG11 VAL 36 2.728 5.873 5.528 245 HG12 VAL 36 HG12 VAL 36 1.922 6.515 4.095 246 HG13 VAL 36 HG13 VAL 36 2.690 7.614 5.243 247 HG21 VAL 36 HG21 VAL 36 5.123 7.812 5.350 248 HG22 VAL 36 HG22 VAL 36 6.155 6.829 4.310 249 HG23 VAL 36 HG23 VAL 36 5.308 6.087 5.666 250 H CYS 37 HN CYS 37 2.738 3.118 3.198 251 HA CYS 37 HA CYS 37 1.453 3.853 0.721 252 HB2 CYS 37 HB2 CYS 37 2.116 1.487 1.309 253 HB3 CYS 37 HB1 CYS 37 0.808 1.491 2.488 254 H LYS 38 HN LYS 38 -0.384 4.896 0.540 255 HA LYS 38 HA LYS 38 -2.058 5.215 2.946 256 HB2 LYS 38 HB2 LYS 38 -0.790 7.176 1.656 257 HB3 LYS 38 HB1 LYS 38 -2.250 7.147 0.696 258 HG2 LYS 38 HG2 LYS 38 -2.182 7.454 3.694 259 HG3 LYS 38 HG1 LYS 38 -2.224 8.804 2.567 260 HD2 LYS 38 HD2 LYS 38 -4.323 6.727 2.285 261 HD3 LYS 38 HD1 LYS 38 -4.415 7.785 3.691 262 HE2 LYS 38 HE2 LYS 38 -5.705 8.871 2.077 263 HE3 LYS 38 HE1 LYS 38 -4.161 9.714 2.027 264 HZ1 LYS 38 HZ1 LYS 38 -3.563 8.507 0.058 265 HZ2 LYS 38 HZ2 LYS 38 -5.083 9.209 -0.181 266 HZ3 LYS 38 HZ3 LYS 38 -4.962 7.558 0.155 267 H CYS 39 HN CYS 39 -4.219 4.932 2.743 268 HA CYS 39 HA CYS 39 -5.018 3.288 0.484 269 HB2 CYS 39 HB2 CYS 39 -6.473 3.943 3.052 270 HB3 CYS 39 HB1 CYS 39 -7.020 2.788 1.844 271 H TYR 40 HN TYR 40 -6.959 3.608 -0.696 272 HA TYR 40 HA TYR 40 -8.255 6.215 -0.482 273 HB2 TYR 40 HB2 TYR 40 -8.181 6.493 -2.963 274 HB3 TYR 40 HB1 TYR 40 -6.604 6.620 -2.198 275 HD1 TYR 40 HD1 TYR 40 -4.841 5.110 -2.771 276 HD2 TYR 40 HD2 TYR 40 -8.777 4.444 -4.216 277 HE1 TYR 40 HE1 TYR 40 -3.979 3.393 -4.308 278 HE2 TYR 40 HE2 TYR 40 -7.934 2.728 -5.756 279 HH TYR 40 HH TYR 40 -5.887 2.069 -6.838 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 4.766 -2.050 8.272 2 H2 GLY 1 HT2 GLY 1 6.085 -1.070 7.882 3 H3 GLY 1 HT3 GLY 1 6.092 -2.704 7.455 4 HA2 GLY 1 HA1 GLY 1 4.249 -0.645 6.390 5 HA3 GLY 1 HA2 GLY 1 5.633 -1.315 5.537 6 H PHE 2 HN PHE 2 2.817 -1.367 4.784 7 HA PHE 2 HA PHE 2 2.017 -4.120 5.154 8 HB2 PHE 2 HB2 PHE 2 0.611 -1.962 3.573 9 HB3 PHE 2 HB1 PHE 2 -0.070 -3.493 4.113 10 HD1 PHE 2 HD1 PHE 2 -0.109 -3.878 6.682 11 HD2 PHE 2 HD2 PHE 2 0.308 -0.067 4.837 12 HE1 PHE 2 HE1 PHE 2 -0.880 -2.794 8.752 13 HE2 PHE 2 HE2 PHE 2 -0.459 1.022 6.902 14 HZ PHE 2 HZ PHE 2 -1.053 -0.341 8.863 15 H GLY 3 HN GLY 3 4.131 -4.576 3.958 16 HA2 GLY 3 HA2 GLY 3 4.819 -5.777 2.047 17 HA3 GLY 3 HA1 GLY 3 3.499 -5.047 1.142 18 H CYS 4 HN CYS 4 3.922 -2.382 1.763 19 HA CYS 4 HA CYS 4 5.991 -1.657 -0.028 20 HB2 CYS 4 HB2 CYS 4 3.908 -0.324 0.416 21 HB3 CYS 4 HB1 CYS 4 4.585 0.117 1.979 22 H ASN 5 HN ASN 5 8.021 -2.140 0.526 23 HA ASN 5 HA ASN 5 8.951 -1.359 3.212 24 HB2 ASN 5 HB2 ASN 5 9.812 -3.557 1.349 25 HB3 ASN 5 HB1 ASN 5 10.904 -2.955 2.591 26 HD21 ASN 5 HD21 ASN 5 7.923 -4.645 1.965 27 HD22 ASN 5 HD22 ASN 5 7.742 -5.306 3.552 28 H GLY 6 HN GLY 6 8.760 0.041 0.431 29 HA2 GLY 6 HA2 GLY 6 10.065 2.087 0.184 30 HA3 GLY 6 HA1 GLY 6 11.487 1.141 0.583 31 HA PRO 7 HA PRO 7 11.026 1.871 -4.022 32 HB2 PRO 7 HB2 PRO 7 13.769 2.067 -4.388 33 HB3 PRO 7 HB1 PRO 7 12.664 3.422 -4.156 34 HG2 PRO 7 HG2 PRO 7 14.441 2.068 -2.187 35 HG3 PRO 7 HG1 PRO 7 14.027 3.784 -2.333 36 HD2 PRO 7 HD2 PRO 7 12.933 2.213 -0.449 37 HD3 PRO 7 HD1 PRO 7 12.017 3.522 -1.221 38 H TRP 8 HN TRP 8 13.187 -0.270 -2.248 39 HA TRP 8 HA TRP 8 13.814 -1.904 -4.513 40 HB2 TRP 8 HB2 TRP 8 14.989 -3.313 -2.982 41 HB3 TRP 8 HB1 TRP 8 15.264 -1.652 -2.473 42 HD1 TRP 8 HD1 TRP 8 13.076 -0.951 -0.538 43 HE1 TRP 8 HE1 TRP 8 12.616 -2.271 1.620 44 HE3 TRP 8 HE3 TRP 8 15.289 -5.375 -1.817 45 HZ2 TRP 8 HZ2 TRP 8 13.126 -4.855 2.642 46 HZ3 TRP 8 HZ3 TRP 8 15.261 -7.221 -0.191 47 HH2 TRP 8 HH2 TRP 8 14.201 -6.964 1.990 48 H ASN 9 HN ASN 9 11.106 -1.657 -2.512 49 HA ASN 9 HA ASN 9 9.751 -3.804 -3.785 50 HB2 ASN 9 HB2 ASN 9 11.164 -5.044 -2.087 51 HB3 ASN 9 HB1 ASN 9 10.267 -4.200 -0.829 52 HD21 ASN 9 HD21 ASN 9 8.049 -4.696 -0.536 53 HD22 ASN 9 HD22 ASN 9 7.372 -6.166 -1.148 54 H GLU 10 HN GLU 10 8.567 -1.773 -4.119 55 HA GLU 10 HA GLU 10 7.262 -0.560 -1.862 56 HB2 GLU 10 HB2 GLU 10 6.729 -0.198 -4.817 57 HB3 GLU 10 HB1 GLU 10 6.076 0.801 -3.528 58 HG2 GLU 10 HG2 GLU 10 8.399 1.440 -2.922 59 HG3 GLU 10 HG1 GLU 10 8.959 0.545 -4.336 60 H ASP 11 HN ASP 11 6.609 -3.079 -4.099 61 HA ASP 11 HA ASP 11 4.931 -4.590 -4.315 62 HB2 ASP 11 HB2 ASP 11 5.364 -4.574 -1.758 63 HB3 ASP 11 HB1 ASP 11 3.870 -3.656 -1.658 64 H ASP 12 HN ASP 12 2.262 -4.524 -3.541 65 HA ASP 12 HA ASP 12 0.969 -2.068 -4.067 66 HB2 ASP 12 HB2 ASP 12 1.807 -2.412 -6.346 67 HB3 ASP 12 HB1 ASP 12 1.109 -4.028 -6.367 68 H LEU 13 HN LEU 13 0.824 -5.575 -4.452 69 HA LEU 13 HA LEU 13 -1.952 -5.871 -4.183 70 HB2 LEU 13 HB2 LEU 13 0.136 -7.486 -4.784 71 HB3 LEU 13 HB1 LEU 13 -0.198 -8.003 -3.154 72 HG LEU 13 HG LEU 13 -1.370 -9.482 -4.592 73 HD11 LEU 13 HD11 LEU 13 -2.649 -8.791 -2.641 74 HD12 LEU 13 HD12 LEU 13 -3.698 -9.148 -4.011 75 HD13 LEU 13 HD13 LEU 13 -3.362 -7.474 -3.571 76 HD21 LEU 13 HD21 LEU 13 -1.292 -8.072 -6.601 77 HD22 LEU 13 HD22 LEU 13 -2.584 -7.074 -5.933 78 HD23 LEU 13 HD23 LEU 13 -2.890 -8.763 -6.331 79 H ARG 14 HN ARG 14 0.698 -6.129 -1.825 80 HA ARG 14 HA ARG 14 -0.910 -6.824 0.381 81 HB2 ARG 14 HB2 ARG 14 1.862 -5.849 -0.021 82 HB3 ARG 14 HB1 ARG 14 1.184 -5.681 1.591 83 HG2 ARG 14 HG2 ARG 14 2.501 -7.762 1.182 84 HG3 ARG 14 HG1 ARG 14 0.881 -8.016 1.813 85 HD2 ARG 14 HD2 ARG 14 1.332 -9.638 0.094 86 HD3 ARG 14 HD1 ARG 14 0.113 -8.506 -0.487 87 HE ARG 14 HE ARG 14 2.544 -7.521 -1.356 88 HH11 ARG 14 HH11 ARG 14 0.696 -10.464 -1.787 89 HH12 ARG 14 HH12 ARG 14 1.301 -10.760 -3.385 90 HH21 ARG 14 HH21 ARG 14 3.354 -7.909 -3.435 91 HH22 ARG 14 HH22 ARG 14 2.813 -9.298 -4.333 92 H CYS 15 HN CYS 15 0.320 -3.642 -0.663 93 HA CYS 15 HA CYS 15 -0.852 -2.081 1.311 94 HB2 CYS 15 HB2 CYS 15 -0.338 -1.499 -1.610 95 HB3 CYS 15 HB1 CYS 15 -0.776 -0.291 -0.433 96 H HIS 16 HN HIS 16 -2.085 -3.176 -1.811 97 HA HIS 16 HA HIS 16 -4.612 -1.978 -1.729 98 HB2 HIS 16 HB2 HIS 16 -3.788 -2.852 -3.789 99 HB3 HIS 16 HB1 HIS 16 -3.560 -4.448 -3.103 100 HD1 HIS 16 HD1 HIS 16 -6.366 -2.113 -4.134 101 HD2 HIS 16 HD2 HIS 16 -5.639 -6.152 -3.471 102 HE1 HIS 16 HE1 HIS 16 -8.480 -3.302 -4.801 103 HE2 HIS 16 HE2 HIS 16 -7.933 -5.754 -4.597 104 H ASN 17 HN ASN 17 -3.549 -5.188 -0.658 105 HA ASN 17 HA ASN 17 -6.002 -6.252 0.071 106 HB2 ASN 17 HB2 ASN 17 -3.225 -6.718 1.124 107 HB3 ASN 17 HB1 ASN 17 -4.608 -7.600 1.747 108 HD21 ASN 17 HD21 ASN 17 -2.346 -8.697 0.420 109 HD22 ASN 17 HD22 ASN 17 -2.913 -9.463 -1.027 110 H HIS 18 HN HIS 18 -3.688 -4.497 2.117 111 HA HIS 18 HA HIS 18 -5.150 -4.637 4.489 112 HB2 HIS 18 HB2 HIS 18 -2.847 -3.972 4.546 113 HB3 HIS 18 HB1 HIS 18 -3.162 -2.584 3.515 114 HD1 HIS 18 HD1 HIS 18 -4.311 -3.815 6.946 115 HD2 HIS 18 HD2 HIS 18 -3.393 -0.308 4.911 116 HE1 HIS 18 HE1 HIS 18 -4.530 -1.972 8.642 117 HE2 HIS 18 HE2 HIS 18 -4.143 0.151 7.347 118 H CYS 19 HN CYS 19 -5.259 -2.228 1.902 119 HA CYS 19 HA CYS 19 -7.028 -0.526 3.388 120 HB2 CYS 19 HB2 CYS 19 -6.206 -0.415 0.483 121 HB3 CYS 19 HB1 CYS 19 -7.064 0.852 1.355 122 H LYS 20 HN LYS 20 -7.452 -3.080 1.006 123 HA LYS 20 HA LYS 20 -10.194 -2.317 0.484 124 HB2 LYS 20 HB2 LYS 20 -10.348 -4.227 -0.943 125 HB3 LYS 20 HB1 LYS 20 -8.788 -3.473 -1.235 126 HG2 LYS 20 HG2 LYS 20 -7.640 -5.171 -0.086 127 HG3 LYS 20 HG1 LYS 20 -9.126 -5.812 0.616 128 HD2 LYS 20 HD2 LYS 20 -9.882 -6.384 -1.692 129 HD3 LYS 20 HD1 LYS 20 -8.295 -5.887 -2.283 130 HE2 LYS 20 HE2 LYS 20 -8.421 -8.312 -1.996 131 HE3 LYS 20 HE1 LYS 20 -7.233 -7.596 -0.909 132 HZ1 LYS 20 HZ1 LYS 20 -8.781 -7.764 0.899 133 HZ2 LYS 20 HZ2 LYS 20 -8.640 -9.279 0.166 134 HZ3 LYS 20 HZ3 LYS 20 -10.004 -8.323 -0.128 135 H SER 21 HN SER 21 -8.577 -4.010 2.913 136 HA SER 21 HA SER 21 -10.735 -5.725 3.692 137 HB2 SER 21 HB2 SER 21 -8.364 -6.142 4.339 138 HB3 SER 21 HB1 SER 21 -8.406 -4.693 5.340 139 HG SER 21 HG SER 21 -10.165 -6.899 5.665 140 H ILE 22 HN ILE 22 -9.964 -2.420 4.011 141 HA ILE 22 HA ILE 22 -11.864 -1.964 6.179 142 HB ILE 22 HB ILE 22 -10.143 0.071 4.754 143 HG12 ILE 22 HG12 ILE 22 -9.493 -1.364 7.335 144 HG13 ILE 22 HG11 ILE 22 -8.775 -1.761 5.779 145 HG21 ILE 22 HG21 ILE 22 -11.491 0.114 7.453 146 HG22 ILE 22 HG22 ILE 22 -12.019 0.986 6.013 147 HG23 ILE 22 HG23 ILE 22 -10.486 1.400 6.781 148 HD11 ILE 22 HD11 ILE 22 -8.537 0.880 7.203 149 HD12 ILE 22 HD12 ILE 22 -7.797 0.464 5.657 150 HD13 ILE 22 HD13 ILE 22 -7.300 -0.375 7.127 151 H LYS 23 HN LYS 23 -13.825 -0.984 5.799 152 HA LYS 23 HA LYS 23 -14.602 -0.679 3.040 153 HB2 LYS 23 HB2 LYS 23 -16.237 -1.731 4.373 154 HB3 LYS 23 HB1 LYS 23 -16.143 -0.495 5.622 155 HG2 LYS 23 HG2 LYS 23 -17.243 1.063 4.261 156 HG3 LYS 23 HG1 LYS 23 -17.064 0.057 2.825 157 HD2 LYS 23 HD2 LYS 23 -18.452 -1.670 4.174 158 HD3 LYS 23 HD1 LYS 23 -18.916 -0.274 5.152 159 HE2 LYS 23 HE2 LYS 23 -19.734 0.869 3.188 160 HE3 LYS 23 HE1 LYS 23 -19.186 -0.456 2.165 161 HZ1 LYS 23 HZ1 LYS 23 -21.585 -0.506 2.640 162 HZ2 LYS 23 HZ2 LYS 23 -21.246 -0.722 4.281 163 HZ3 LYS 23 HZ3 LYS 23 -20.786 -1.902 3.161 164 H GLY 24 HN GLY 24 -14.935 1.131 1.984 165 HA2 GLY 24 HA2 GLY 24 -15.387 3.546 1.991 166 HA3 GLY 24 HA1 GLY 24 -14.346 3.652 3.406 167 H TYR 25 HN TYR 25 -12.662 1.516 1.949 168 HA TYR 25 HA TYR 25 -11.293 3.357 0.102 169 HB2 TYR 25 HB2 TYR 25 -10.016 1.334 1.957 170 HB3 TYR 25 HB1 TYR 25 -9.158 2.357 0.808 171 HD1 TYR 25 HD1 TYR 25 -10.322 2.069 4.144 172 HD2 TYR 25 HD2 TYR 25 -9.469 4.918 1.105 173 HE1 TYR 25 HE1 TYR 25 -10.155 3.832 5.849 174 HE2 TYR 25 HE2 TYR 25 -9.297 6.686 2.801 175 HH TYR 25 HH TYR 25 -10.164 7.111 5.108 176 H LYS 26 HN LYS 26 -10.185 2.369 -1.686 177 HA LYS 26 HA LYS 26 -11.077 -0.375 -2.252 178 HB2 LYS 26 HB2 LYS 26 -11.497 0.348 -4.620 179 HB3 LYS 26 HB1 LYS 26 -12.642 0.958 -3.436 180 HG2 LYS 26 HG2 LYS 26 -12.304 2.924 -4.437 181 HG3 LYS 26 HG1 LYS 26 -10.801 2.965 -3.516 182 HD2 LYS 26 HD2 LYS 26 -10.305 3.461 -5.813 183 HD3 LYS 26 HD1 LYS 26 -9.670 1.860 -5.427 184 HE2 LYS 26 HE2 LYS 26 -11.568 0.810 -6.504 185 HE3 LYS 26 HE1 LYS 26 -12.299 2.383 -6.807 186 HZ1 LYS 26 HZ1 LYS 26 -10.515 2.928 -8.291 187 HZ2 LYS 26 HZ2 LYS 26 -11.170 1.443 -8.757 188 HZ3 LYS 26 HZ3 LYS 26 -9.697 1.492 -7.928 189 H GLY 27 HN GLY 27 -8.461 1.032 -1.520 190 HA2 GLY 27 HA2 GLY 27 -6.761 -0.763 -2.708 191 HA3 GLY 27 HA1 GLY 27 -6.786 0.613 -3.799 192 H GLY 28 HN GLY 28 -4.431 -0.038 -2.800 193 HA2 GLY 28 HA2 GLY 28 -3.825 2.252 -1.102 194 HA3 GLY 28 HA1 GLY 28 -3.377 0.669 -0.477 195 H TYR 29 HN TYR 29 -1.678 2.956 -1.255 196 HA TYR 29 HA TYR 29 0.234 1.469 -2.843 197 HB2 TYR 29 HB2 TYR 29 0.446 3.039 -4.633 198 HB3 TYR 29 HB1 TYR 29 -1.263 2.649 -4.511 199 HD1 TYR 29 HD1 TYR 29 -2.541 4.328 -2.770 200 HD2 TYR 29 HD2 TYR 29 0.943 5.241 -5.032 201 HE1 TYR 29 HE1 TYR 29 -3.060 6.721 -2.593 202 HE2 TYR 29 HE2 TYR 29 0.431 7.640 -4.860 203 HH TYR 29 HH TYR 29 -1.537 9.083 -4.480 204 H CYS 30 HN CYS 30 2.354 2.418 -2.773 205 HA CYS 30 HA CYS 30 2.955 3.723 -0.335 206 HB2 CYS 30 HB2 CYS 30 4.746 3.545 -2.765 207 HB3 CYS 30 HB1 CYS 30 5.242 3.762 -1.091 208 H ALA 31 HN ALA 31 2.654 5.793 0.141 209 HA ALA 31 HA ALA 31 3.072 7.791 -1.975 210 HB1 ALA 31 HB1 ALA 31 0.662 7.389 -1.773 211 HB2 ALA 31 HB2 ALA 31 1.100 9.024 -1.278 212 HB3 ALA 31 HB3 ALA 31 0.745 7.800 -0.061 213 H LYS 32 HN LYS 32 2.017 7.957 1.420 214 HA LYS 32 HA LYS 32 3.520 10.221 2.006 215 HB2 LYS 32 HB2 LYS 32 2.525 8.144 3.959 216 HB3 LYS 32 HB1 LYS 32 2.975 9.797 4.343 217 HG2 LYS 32 HG2 LYS 32 0.689 8.993 2.554 218 HG3 LYS 32 HG1 LYS 32 0.547 9.467 4.246 219 HD2 LYS 32 HD2 LYS 32 1.716 11.239 2.108 220 HD3 LYS 32 HD1 LYS 32 0.021 11.272 2.587 221 HE2 LYS 32 HE2 LYS 32 2.362 11.779 4.423 222 HE3 LYS 32 HE1 LYS 32 1.351 13.023 3.692 223 HZ1 LYS 32 HZ1 LYS 32 0.643 12.584 5.938 224 HZ2 LYS 32 HZ2 LYS 32 0.447 10.939 5.606 225 HZ3 LYS 32 HZ3 LYS 32 -0.560 12.077 4.864 226 H GLY 33 HN GLY 33 5.660 10.367 1.992 227 HA2 GLY 33 HA2 GLY 33 7.845 9.978 2.617 228 HA3 GLY 33 HA1 GLY 33 7.271 8.688 3.662 229 H GLY 34 HN GLY 34 5.918 7.869 0.876 230 HA2 GLY 34 HA2 GLY 34 6.481 6.499 -0.902 231 HA3 GLY 34 HA1 GLY 34 8.176 6.753 -0.524 232 H PHE 35 HN PHE 35 6.601 5.843 2.263 233 HA PHE 35 HA PHE 35 7.239 3.000 1.806 234 HB2 PHE 35 HB2 PHE 35 7.856 4.747 4.188 235 HB3 PHE 35 HB1 PHE 35 7.816 2.995 4.315 236 HD1 PHE 35 HD1 PHE 35 9.396 5.689 2.274 237 HD2 PHE 35 HD2 PHE 35 9.758 1.815 3.993 238 HE1 PHE 35 HE1 PHE 35 11.737 5.583 1.530 239 HE2 PHE 35 HE2 PHE 35 12.101 1.703 3.249 240 HZ PHE 35 HZ PHE 35 13.092 3.587 2.016 241 H VAL 36 HN VAL 36 4.844 5.184 2.569 242 HA VAL 36 HA VAL 36 3.366 3.280 4.242 243 HB VAL 36 HB VAL 36 2.898 6.218 3.730 244 HG11 VAL 36 HG11 VAL 36 1.309 4.313 5.446 245 HG12 VAL 36 HG12 VAL 36 0.757 5.083 3.958 246 HG13 VAL 36 HG13 VAL 36 1.094 6.063 5.386 247 HG21 VAL 36 HG21 VAL 36 3.741 4.714 6.201 248 HG22 VAL 36 HG22 VAL 36 3.385 6.438 6.128 249 HG23 VAL 36 HG23 VAL 36 4.751 5.782 5.226 250 H CYS 37 HN CYS 37 1.931 2.017 3.263 251 HA CYS 37 HA CYS 37 0.845 2.481 0.694 252 HB2 CYS 37 HB2 CYS 37 -0.243 0.725 2.904 253 HB3 CYS 37 HB1 CYS 37 -0.573 0.587 1.196 254 H LYS 38 HN LYS 38 -0.182 4.492 0.606 255 HA LYS 38 HA LYS 38 -2.106 5.305 2.572 256 HB2 LYS 38 HB2 LYS 38 -0.891 6.950 1.179 257 HB3 LYS 38 HB1 LYS 38 -1.719 6.342 -0.246 258 HG2 LYS 38 HG2 LYS 38 -3.855 6.892 1.233 259 HG3 LYS 38 HG1 LYS 38 -2.732 8.033 1.970 260 HD2 LYS 38 HD2 LYS 38 -3.286 7.846 -0.983 261 HD3 LYS 38 HD1 LYS 38 -4.073 8.986 0.105 262 HE2 LYS 38 HE2 LYS 38 -1.951 10.018 0.618 263 HE3 LYS 38 HE1 LYS 38 -1.099 8.818 -0.352 264 HZ1 LYS 38 HZ1 LYS 38 -3.116 10.701 -1.444 265 HZ2 LYS 38 HZ2 LYS 38 -2.114 9.659 -2.325 266 HZ3 LYS 38 HZ3 LYS 38 -1.447 10.973 -1.490 267 H CYS 39 HN CYS 39 -4.273 5.121 2.522 268 HA CYS 39 HA CYS 39 -5.355 3.236 0.556 269 HB2 CYS 39 HB2 CYS 39 -6.535 4.136 3.193 270 HB3 CYS 39 HB1 CYS 39 -7.166 2.867 2.150 271 H TYR 40 HN TYR 40 -6.918 3.809 -0.833 272 HA TYR 40 HA TYR 40 -8.067 6.499 -0.559 273 HB2 TYR 40 HB2 TYR 40 -8.079 6.570 -3.099 274 HB3 TYR 40 HB1 TYR 40 -6.504 6.718 -2.334 275 HD1 TYR 40 HD1 TYR 40 -4.782 5.162 -2.802 276 HD2 TYR 40 HD2 TYR 40 -8.740 4.388 -4.150 277 HE1 TYR 40 HE1 TYR 40 -3.945 3.314 -4.175 278 HE2 TYR 40 HE2 TYR 40 -7.910 2.529 -5.530 279 HH TYR 40 HH TYR 40 -4.818 1.219 -5.182 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 6.467 -2.254 4.906 2 H2 GLY 1 HT2 GLY 1 6.894 -3.394 6.081 3 H3 GLY 1 HT3 GLY 1 7.188 -1.752 6.352 4 HA2 GLY 1 HA1 GLY 1 5.279 -2.405 7.619 5 HA3 GLY 1 HA2 GLY 1 4.798 -1.315 6.331 6 H PHE 2 HN PHE 2 3.003 -1.919 5.364 7 HA PHE 2 HA PHE 2 2.018 -4.605 5.556 8 HB2 PHE 2 HB2 PHE 2 0.827 -2.206 4.149 9 HB3 PHE 2 HB1 PHE 2 0.002 -3.729 4.461 10 HD1 PHE 2 HD1 PHE 2 0.004 -4.443 7.015 11 HD2 PHE 2 HD2 PHE 2 0.450 -0.463 5.583 12 HE1 PHE 2 HE1 PHE 2 -0.778 -3.581 9.183 13 HE2 PHE 2 HE2 PHE 2 -0.330 0.407 7.746 14 HZ PHE 2 HZ PHE 2 -0.913 -1.158 9.564 15 H GLY 3 HN GLY 3 3.988 -5.276 4.342 16 HA2 GLY 3 HA2 GLY 3 4.641 -6.447 2.435 17 HA3 GLY 3 HA1 GLY 3 3.339 -5.665 1.542 18 H CYS 4 HN CYS 4 3.782 -3.064 1.912 19 HA CYS 4 HA CYS 4 5.955 -2.522 0.167 20 HB2 CYS 4 HB2 CYS 4 3.844 -1.197 0.249 21 HB3 CYS 4 HB1 CYS 4 4.332 -0.581 1.824 22 H ASN 5 HN ASN 5 8.016 -2.097 0.637 23 HA ASN 5 HA ASN 5 8.689 -1.144 3.329 24 HB2 ASN 5 HB2 ASN 5 9.888 -3.532 1.935 25 HB3 ASN 5 HB1 ASN 5 10.742 -2.675 3.213 26 HD21 ASN 5 HD21 ASN 5 8.093 -4.776 2.438 27 HD22 ASN 5 HD22 ASN 5 7.691 -5.199 4.066 28 H GLY 6 HN GLY 6 8.472 0.246 0.836 29 HA2 GLY 6 HA2 GLY 6 9.959 2.204 0.586 30 HA3 GLY 6 HA1 GLY 6 11.292 1.061 0.523 31 HA PRO 7 HA PRO 7 9.556 2.393 -3.758 32 HB2 PRO 7 HB2 PRO 7 12.402 2.960 -4.213 33 HB3 PRO 7 HB1 PRO 7 10.992 3.958 -4.569 34 HG2 PRO 7 HG2 PRO 7 12.762 4.426 -2.534 35 HG3 PRO 7 HG1 PRO 7 11.090 5.011 -2.557 36 HD2 PRO 7 HD2 PRO 7 12.327 2.899 -0.943 37 HD3 PRO 7 HD1 PRO 7 10.815 3.786 -0.675 38 H TRP 8 HN TRP 8 12.492 0.803 -2.706 39 HA TRP 8 HA TRP 8 13.040 -0.657 -5.055 40 HB2 TRP 8 HB2 TRP 8 13.869 -1.958 -2.567 41 HB3 TRP 8 HB1 TRP 8 14.848 -1.361 -3.902 42 HD1 TRP 8 HD1 TRP 8 13.352 -0.261 -0.563 43 HE1 TRP 8 HE1 TRP 8 14.545 1.880 0.217 44 HE3 TRP 8 HE3 TRP 8 16.138 0.673 -4.740 45 HZ2 TRP 8 HZ2 TRP 8 16.425 3.722 -0.809 46 HZ3 TRP 8 HZ3 TRP 8 17.608 2.644 -4.763 47 HH2 TRP 8 HH2 TRP 8 17.749 4.137 -2.836 48 H ASN 9 HN ASN 9 10.847 -1.190 -2.429 49 HA ASN 9 HA ASN 9 9.970 -3.684 -3.676 50 HB2 ASN 9 HB2 ASN 9 11.540 -4.242 -1.803 51 HB3 ASN 9 HB1 ASN 9 10.436 -3.431 -0.695 52 HD21 ASN 9 HD21 ASN 9 10.000 -5.287 0.476 53 HD22 ASN 9 HD22 ASN 9 9.051 -6.585 -0.156 54 H GLU 10 HN GLU 10 8.467 -1.860 -4.328 55 HA GLU 10 HA GLU 10 6.569 -1.019 -2.312 56 HB2 GLU 10 HB2 GLU 10 6.599 -0.585 -5.305 57 HB3 GLU 10 HB1 GLU 10 5.441 0.131 -4.196 58 HG2 GLU 10 HG2 GLU 10 7.232 1.359 -3.095 59 HG3 GLU 10 HG1 GLU 10 8.409 0.609 -4.176 60 H ASP 11 HN ASP 11 5.885 -3.218 -1.752 61 HA ASP 11 HA ASP 11 4.464 -4.835 -3.582 62 HB2 ASP 11 HB2 ASP 11 4.796 -4.750 -0.651 63 HB3 ASP 11 HB1 ASP 11 3.308 -5.495 -1.225 64 H ASP 12 HN ASP 12 3.072 -3.645 -4.760 65 HA ASP 12 HA ASP 12 1.338 -1.683 -3.686 66 HB2 ASP 12 HB2 ASP 12 2.139 -1.673 -6.026 67 HB3 ASP 12 HB1 ASP 12 1.174 -3.111 -6.348 68 H LEU 13 HN LEU 13 0.941 -5.098 -4.461 69 HA LEU 13 HA LEU 13 -1.906 -5.045 -4.309 70 HB2 LEU 13 HB2 LEU 13 -0.048 -6.779 -5.284 71 HB3 LEU 13 HB1 LEU 13 -0.533 -7.587 -3.816 72 HG LEU 13 HG LEU 13 -1.858 -8.451 -5.627 73 HD11 LEU 13 HD11 LEU 13 -3.522 -6.559 -3.990 74 HD12 LEU 13 HD12 LEU 13 -3.023 -8.181 -3.517 75 HD13 LEU 13 HD13 LEU 13 -4.115 -7.960 -4.883 76 HD21 LEU 13 HD21 LEU 13 -2.697 -5.610 -6.176 77 HD22 LEU 13 HD22 LEU 13 -3.267 -7.050 -7.018 78 HD23 LEU 13 HD23 LEU 13 -1.581 -6.555 -7.162 79 H ARG 14 HN ARG 14 0.710 -5.985 -2.117 80 HA ARG 14 HA ARG 14 -0.801 -6.897 0.041 81 HB2 ARG 14 HB2 ARG 14 1.790 -5.331 0.026 82 HB3 ARG 14 HB1 ARG 14 1.098 -6.049 1.466 83 HG2 ARG 14 HG2 ARG 14 1.773 -7.649 -0.985 84 HG3 ARG 14 HG1 ARG 14 2.911 -7.378 0.338 85 HD2 ARG 14 HD2 ARG 14 0.190 -8.642 0.611 86 HD3 ARG 14 HD1 ARG 14 1.715 -9.525 0.531 87 HE ARG 14 HE ARG 14 2.213 -7.964 2.591 88 HH11 ARG 14 HH11 ARG 14 -0.708 -9.744 1.851 89 HH12 ARG 14 HH12 ARG 14 -1.162 -9.937 3.513 90 HH21 ARG 14 HH21 ARG 14 1.615 -8.203 4.777 91 HH22 ARG 14 HH22 ARG 14 0.155 -9.050 5.177 92 H CYS 15 HN CYS 15 0.376 -3.581 -0.493 93 HA CYS 15 HA CYS 15 -1.074 -2.369 1.578 94 HB2 CYS 15 HB2 CYS 15 0.794 -1.287 0.359 95 HB3 CYS 15 HB1 CYS 15 -0.231 -1.148 -1.064 96 H HIS 16 HN HIS 16 -1.904 -2.916 -1.824 97 HA HIS 16 HA HIS 16 -4.386 -1.656 -1.916 98 HB2 HIS 16 HB2 HIS 16 -3.105 -2.618 -3.855 99 HB3 HIS 16 HB1 HIS 16 -3.613 -4.216 -3.335 100 HD1 HIS 16 HD1 HIS 16 -4.940 -1.062 -4.911 101 HD2 HIS 16 HD2 HIS 16 -6.164 -4.952 -4.092 102 HE1 HIS 16 HE1 HIS 16 -7.118 -1.361 -6.130 103 HE2 HIS 16 HE2 HIS 16 -7.754 -3.763 -5.752 104 H ASN 17 HN ASN 17 -3.585 -5.000 -1.053 105 HA ASN 17 HA ASN 17 -6.198 -5.883 -0.518 106 HB2 ASN 17 HB2 ASN 17 -3.464 -6.821 0.314 107 HB3 ASN 17 HB1 ASN 17 -4.903 -7.609 0.932 108 HD21 ASN 17 HD21 ASN 17 -2.846 -8.736 -0.733 109 HD22 ASN 17 HD22 ASN 17 -3.603 -9.230 -2.210 110 H HIS 18 HN HIS 18 -3.724 -4.451 1.548 111 HA HIS 18 HA HIS 18 -5.031 -4.709 4.006 112 HB2 HIS 18 HB2 HIS 18 -2.727 -4.085 4.007 113 HB3 HIS 18 HB1 HIS 18 -3.032 -2.686 2.992 114 HD1 HIS 18 HD1 HIS 18 -3.872 -3.900 6.512 115 HD2 HIS 18 HD2 HIS 18 -3.302 -0.390 4.363 116 HE1 HIS 18 HE1 HIS 18 -4.017 -2.039 8.200 117 HE2 HIS 18 HE2 HIS 18 -3.526 0.062 6.896 118 H CYS 19 HN CYS 19 -5.181 -2.137 1.584 119 HA CYS 19 HA CYS 19 -6.945 -0.549 3.191 120 HB2 CYS 19 HB2 CYS 19 -6.120 -0.273 0.304 121 HB3 CYS 19 HB1 CYS 19 -7.044 0.921 1.210 122 H LYS 20 HN LYS 20 -7.356 -2.976 0.709 123 HA LYS 20 HA LYS 20 -10.087 -2.454 0.166 124 HB2 LYS 20 HB2 LYS 20 -8.427 -4.953 -0.022 125 HB3 LYS 20 HB1 LYS 20 -10.143 -4.955 -0.395 126 HG2 LYS 20 HG2 LYS 20 -9.745 -3.248 -2.119 127 HG3 LYS 20 HG1 LYS 20 -8.022 -3.323 -1.767 128 HD2 LYS 20 HD2 LYS 20 -8.488 -4.670 -3.702 129 HD3 LYS 20 HD1 LYS 20 -8.044 -5.725 -2.359 130 HE2 LYS 20 HE2 LYS 20 -10.372 -6.246 -1.953 131 HE3 LYS 20 HE1 LYS 20 -10.866 -5.104 -3.202 132 HZ1 LYS 20 HZ1 LYS 20 -9.239 -7.543 -3.674 133 HZ2 LYS 20 HZ2 LYS 20 -9.807 -6.479 -4.858 134 HZ3 LYS 20 HZ3 LYS 20 -10.899 -7.413 -3.969 135 H SER 21 HN SER 21 -8.410 -4.159 2.700 136 HA SER 21 HA SER 21 -10.649 -5.400 3.892 137 HB2 SER 21 HB2 SER 21 -8.258 -5.995 4.334 138 HB3 SER 21 HB1 SER 21 -8.089 -4.488 5.230 139 HG SER 21 HG SER 21 -10.215 -5.711 6.195 140 H ILE 22 HN ILE 22 -9.368 -2.175 3.985 141 HA ILE 22 HA ILE 22 -10.998 -1.377 6.246 142 HB ILE 22 HB ILE 22 -9.406 0.389 4.380 143 HG12 ILE 22 HG12 ILE 22 -8.565 -0.809 7.030 144 HG13 ILE 22 HG11 ILE 22 -7.967 -1.315 5.455 145 HG21 ILE 22 HG21 ILE 22 -11.095 1.566 5.679 146 HG22 ILE 22 HG22 ILE 22 -9.478 1.979 6.253 147 HG23 ILE 22 HG23 ILE 22 -10.476 0.846 7.165 148 HD11 ILE 22 HD11 ILE 22 -7.598 1.399 6.700 149 HD12 ILE 22 HD12 ILE 22 -7.010 0.906 5.113 150 HD13 ILE 22 HD13 ILE 22 -6.376 0.132 6.566 151 H LYS 23 HN LYS 23 -13.111 -1.123 5.915 152 HA LYS 23 HA LYS 23 -14.357 -0.846 3.439 153 HB2 LYS 23 HB2 LYS 23 -15.373 -1.567 5.666 154 HB3 LYS 23 HB1 LYS 23 -15.504 0.147 6.031 155 HG2 LYS 23 HG2 LYS 23 -16.956 0.499 4.160 156 HG3 LYS 23 HG1 LYS 23 -16.726 -1.168 3.636 157 HD2 LYS 23 HD2 LYS 23 -17.960 -0.361 6.263 158 HD3 LYS 23 HD1 LYS 23 -18.878 -0.782 4.819 159 HE2 LYS 23 HE2 LYS 23 -16.959 -2.586 6.294 160 HE3 LYS 23 HE1 LYS 23 -18.718 -2.677 6.352 161 HZ1 LYS 23 HZ1 LYS 23 -18.746 -3.187 3.998 162 HZ2 LYS 23 HZ2 LYS 23 -17.776 -4.302 4.823 163 HZ3 LYS 23 HZ3 LYS 23 -17.060 -3.067 3.918 164 H GLY 24 HN GLY 24 -14.963 0.849 2.237 165 HA2 GLY 24 HA2 GLY 24 -15.469 3.212 1.988 166 HA3 GLY 24 HA1 GLY 24 -14.241 3.540 3.203 167 H TYR 25 HN TYR 25 -12.317 1.681 2.154 168 HA TYR 25 HA TYR 25 -11.432 3.249 -0.169 169 HB2 TYR 25 HB2 TYR 25 -9.841 1.479 1.706 170 HB3 TYR 25 HB1 TYR 25 -9.175 2.416 0.373 171 HD1 TYR 25 HD1 TYR 25 -9.802 2.387 3.828 172 HD2 TYR 25 HD2 TYR 25 -9.688 5.002 0.478 173 HE1 TYR 25 HE1 TYR 25 -9.526 4.303 5.341 174 HE2 TYR 25 HE2 TYR 25 -9.408 6.928 1.981 175 HH TYR 25 HH TYR 25 -8.674 6.566 5.303 176 H LYS 26 HN LYS 26 -10.240 2.057 -1.871 177 HA LYS 26 HA LYS 26 -11.211 -0.717 -2.122 178 HB2 LYS 26 HB2 LYS 26 -11.378 -0.337 -4.590 179 HB3 LYS 26 HB1 LYS 26 -12.561 0.536 -3.633 180 HG2 LYS 26 HG2 LYS 26 -10.042 1.923 -4.384 181 HG3 LYS 26 HG1 LYS 26 -11.274 1.673 -5.620 182 HD2 LYS 26 HD2 LYS 26 -12.927 2.761 -4.132 183 HD3 LYS 26 HD1 LYS 26 -11.633 3.080 -2.975 184 HE2 LYS 26 HE2 LYS 26 -12.121 5.037 -4.373 185 HE3 LYS 26 HE1 LYS 26 -10.477 4.451 -4.611 186 HZ1 LYS 26 HZ1 LYS 26 -11.536 5.003 -6.706 187 HZ2 LYS 26 HZ2 LYS 26 -12.781 3.902 -6.401 188 HZ3 LYS 26 HZ3 LYS 26 -11.201 3.348 -6.634 189 H GLY 27 HN GLY 27 -8.544 1.026 -1.664 190 HA2 GLY 27 HA2 GLY 27 -6.771 -1.035 -2.119 191 HA3 GLY 27 HA1 GLY 27 -6.771 -0.088 -3.600 192 H GLY 28 HN GLY 28 -4.419 -0.071 -2.654 193 HA2 GLY 28 HA2 GLY 28 -4.036 2.567 -1.555 194 HA3 GLY 28 HA1 GLY 28 -3.534 1.262 -0.491 195 H TYR 29 HN TYR 29 -1.699 3.106 -1.347 196 HA TYR 29 HA TYR 29 0.108 1.397 -2.841 197 HB2 TYR 29 HB2 TYR 29 0.773 3.251 -4.383 198 HB3 TYR 29 HB1 TYR 29 -0.842 2.623 -4.675 199 HD1 TYR 29 HD1 TYR 29 -2.576 4.153 -4.976 200 HD2 TYR 29 HD2 TYR 29 0.876 5.360 -2.805 201 HE1 TYR 29 HE1 TYR 29 -3.482 6.432 -4.811 202 HE2 TYR 29 HE2 TYR 29 -0.022 7.641 -2.634 203 HH TYR 29 HH TYR 29 -3.212 8.408 -3.253 204 H CYS 30 HN CYS 30 2.332 2.382 -2.924 205 HA CYS 30 HA CYS 30 3.034 3.220 -0.270 206 HB2 CYS 30 HB2 CYS 30 4.810 2.895 -2.699 207 HB3 CYS 30 HB1 CYS 30 5.336 2.990 -1.023 208 H ALA 31 HN ALA 31 2.425 5.260 0.148 209 HA ALA 31 HA ALA 31 3.137 7.393 -1.736 210 HB1 ALA 31 HB1 ALA 31 0.806 7.280 -0.946 211 HB2 ALA 31 HB2 ALA 31 1.598 8.786 -0.485 212 HB3 ALA 31 HB3 ALA 31 1.373 7.507 0.706 213 H LYS 32 HN LYS 32 3.485 9.547 -0.288 214 HA LYS 32 HA LYS 32 4.986 10.760 0.895 215 HB2 LYS 32 HB2 LYS 32 4.618 8.410 2.734 216 HB3 LYS 32 HB1 LYS 32 5.505 9.855 3.193 217 HG2 LYS 32 HG2 LYS 32 2.623 9.836 2.322 218 HG3 LYS 32 HG1 LYS 32 3.151 9.772 4.002 219 HD2 LYS 32 HD2 LYS 32 3.819 11.991 2.066 220 HD3 LYS 32 HD1 LYS 32 2.521 12.052 3.261 221 HE2 LYS 32 HE2 LYS 32 4.181 11.750 5.049 222 HE3 LYS 32 HE1 LYS 32 5.466 11.739 3.842 223 HZ1 LYS 32 HZ1 LYS 32 3.633 14.000 4.414 224 HZ2 LYS 32 HZ2 LYS 32 4.824 13.990 3.214 225 HZ3 LYS 32 HZ3 LYS 32 5.266 13.903 4.844 226 H GLY 33 HN GLY 33 6.210 9.558 -1.138 227 HA2 GLY 33 HA2 GLY 33 8.496 9.483 -1.701 228 HA3 GLY 33 HA1 GLY 33 8.873 9.081 -0.032 229 H GLY 34 HN GLY 34 6.307 7.227 -1.006 230 HA2 GLY 34 HA2 GLY 34 6.132 5.094 -1.925 231 HA3 GLY 34 HA1 GLY 34 7.854 5.127 -2.271 232 H PHE 35 HN PHE 35 6.162 5.625 0.808 233 HA PHE 35 HA PHE 35 7.421 3.162 1.809 234 HB2 PHE 35 HB2 PHE 35 7.480 5.857 3.183 235 HB3 PHE 35 HB1 PHE 35 7.975 4.345 3.933 236 HD1 PHE 35 HD1 PHE 35 8.929 7.058 1.779 237 HD2 PHE 35 HD2 PHE 35 9.953 3.123 3.020 238 HE1 PHE 35 HE1 PHE 35 11.199 7.373 0.888 239 HE2 PHE 35 HE2 PHE 35 12.225 3.432 2.137 240 HZ PHE 35 HZ PHE 35 12.861 5.561 1.093 241 H VAL 36 HN VAL 36 5.034 5.709 2.427 242 HA VAL 36 HA VAL 36 3.763 4.140 4.502 243 HB VAL 36 HB VAL 36 2.971 6.811 3.325 244 HG11 VAL 36 HG11 VAL 36 1.595 7.061 5.335 245 HG12 VAL 36 HG12 VAL 36 2.024 5.424 5.830 246 HG13 VAL 36 HG13 VAL 36 1.079 5.683 4.363 247 HG21 VAL 36 HG21 VAL 36 4.477 6.149 5.853 248 HG22 VAL 36 HG22 VAL 36 3.958 7.760 5.356 249 HG23 VAL 36 HG23 VAL 36 5.155 6.886 4.401 250 H CYS 37 HN CYS 37 2.069 2.846 4.245 251 HA CYS 37 HA CYS 37 0.934 2.409 1.643 252 HB2 CYS 37 HB2 CYS 37 1.308 0.531 3.158 253 HB3 CYS 37 HB1 CYS 37 0.258 1.262 4.363 254 H LYS 38 HN LYS 38 -0.187 4.251 1.033 255 HA LYS 38 HA LYS 38 -2.249 5.269 2.845 256 HB2 LYS 38 HB2 LYS 38 -0.649 6.789 1.512 257 HB3 LYS 38 HB1 LYS 38 -1.636 6.382 0.122 258 HG2 LYS 38 HG2 LYS 38 -3.624 7.205 1.362 259 HG3 LYS 38 HG1 LYS 38 -2.544 7.742 2.647 260 HD2 LYS 38 HD2 LYS 38 -3.084 9.600 1.209 261 HD3 LYS 38 HD1 LYS 38 -1.380 9.185 1.017 262 HE2 LYS 38 HE2 LYS 38 -1.853 8.018 -1.037 263 HE3 LYS 38 HE1 LYS 38 -3.585 8.264 -0.818 264 HZ1 LYS 38 HZ1 LYS 38 -2.618 9.819 -2.402 265 HZ2 LYS 38 HZ2 LYS 38 -1.589 10.429 -1.206 266 HZ3 LYS 38 HZ3 LYS 38 -3.265 10.627 -1.064 267 H CYS 39 HN CYS 39 -4.401 5.372 2.265 268 HA CYS 39 HA CYS 39 -5.142 3.289 0.329 269 HB2 CYS 39 HB2 CYS 39 -6.665 4.281 2.743 270 HB3 CYS 39 HB1 CYS 39 -7.143 2.953 1.694 271 H TYR 40 HN TYR 40 -6.729 3.647 -1.173 272 HA TYR 40 HA TYR 40 -7.853 6.359 -1.271 273 HB2 TYR 40 HB2 TYR 40 -7.902 6.081 -3.784 274 HB3 TYR 40 HB1 TYR 40 -6.306 6.274 -3.075 275 HD1 TYR 40 HD1 TYR 40 -4.638 4.636 -3.404 276 HD2 TYR 40 HD2 TYR 40 -8.656 3.787 -4.504 277 HE1 TYR 40 HE1 TYR 40 -3.888 2.616 -4.584 278 HE2 TYR 40 HE2 TYR 40 -7.916 1.768 -5.678 279 HH TYR 40 HH TYR 40 -5.895 0.878 -6.711 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 5.809 -2.167 7.927 2 H2 GLY 1 HT2 GLY 1 4.641 -1.414 8.885 3 H3 GLY 1 HT3 GLY 1 5.772 -0.482 8.045 4 HA2 GLY 1 HA1 GLY 1 3.626 -0.423 6.945 5 HA3 GLY 1 HA2 GLY 1 4.853 -1.178 5.938 6 H PHE 2 HN PHE 2 2.672 -1.936 4.988 7 HA PHE 2 HA PHE 2 1.908 -4.420 6.324 8 HB2 PHE 2 HB2 PHE 2 0.235 -2.695 4.496 9 HB3 PHE 2 HB1 PHE 2 -0.282 -4.220 5.209 10 HD1 PHE 2 HD1 PHE 2 -0.243 -4.367 7.776 11 HD2 PHE 2 HD2 PHE 2 -0.147 -0.704 5.618 12 HE1 PHE 2 HE1 PHE 2 -1.030 -3.173 9.775 13 HE2 PHE 2 HE2 PHE 2 -0.935 0.495 7.617 14 HZ PHE 2 HZ PHE 2 -1.375 -0.741 9.697 15 H GLY 3 HN GLY 3 4.021 -3.726 4.262 16 HA2 GLY 3 HA2 GLY 3 4.416 -5.991 2.958 17 HA3 GLY 3 HA1 GLY 3 3.158 -5.278 1.958 18 H CYS 4 HN CYS 4 4.080 -2.558 2.403 19 HA CYS 4 HA CYS 4 6.137 -2.543 0.362 20 HB2 CYS 4 HB2 CYS 4 4.074 -1.044 0.375 21 HB3 CYS 4 HB1 CYS 4 4.853 -0.151 1.678 22 H ASN 5 HN ASN 5 8.235 -1.926 0.648 23 HA ASN 5 HA ASN 5 9.025 -1.183 3.397 24 HB2 ASN 5 HB2 ASN 5 10.241 -3.160 1.501 25 HB3 ASN 5 HB1 ASN 5 11.263 -2.340 2.673 26 HD21 ASN 5 HD21 ASN 5 7.941 -3.128 3.399 27 HD22 ASN 5 HD22 ASN 5 8.290 -4.397 4.518 28 H GLY 6 HN GLY 6 8.743 0.047 0.412 29 HA2 GLY 6 HA2 GLY 6 9.810 2.362 0.355 30 HA3 GLY 6 HA1 GLY 6 11.319 1.469 0.483 31 HA PRO 7 HA PRO 7 9.960 2.246 -4.025 32 HB2 PRO 7 HB2 PRO 7 12.477 3.212 -4.709 33 HB3 PRO 7 HB1 PRO 7 11.057 4.197 -4.360 34 HG2 PRO 7 HG2 PRO 7 13.354 3.496 -2.601 35 HG3 PRO 7 HG1 PRO 7 12.431 5.004 -2.697 36 HD2 PRO 7 HD2 PRO 7 12.072 3.243 -0.700 37 HD3 PRO 7 HD1 PRO 7 10.724 4.191 -1.360 38 H TRP 8 HN TRP 8 12.790 0.902 -2.477 39 HA TRP 8 HA TRP 8 13.696 -0.658 -4.670 40 HB2 TRP 8 HB2 TRP 8 15.117 -1.774 -3.053 41 HB3 TRP 8 HB1 TRP 8 15.107 -0.049 -2.709 42 HD1 TRP 8 HD1 TRP 8 13.060 0.560 -0.711 43 HE1 TRP 8 HE1 TRP 8 12.774 -0.637 1.544 44 HE3 TRP 8 HE3 TRP 8 15.491 -3.795 -1.804 45 HZ2 TRP 8 HZ2 TRP 8 13.486 -3.106 2.705 46 HZ3 TRP 8 HZ3 TRP 8 15.644 -5.527 -0.065 47 HH2 TRP 8 HH2 TRP 8 14.662 -5.187 2.143 48 H ASN 9 HN ASN 9 11.207 -1.039 -2.322 49 HA ASN 9 HA ASN 9 10.515 -3.664 -3.377 50 HB2 ASN 9 HB2 ASN 9 12.023 -4.044 -1.422 51 HB3 ASN 9 HB1 ASN 9 10.884 -3.163 -0.412 52 HD21 ASN 9 HD21 ASN 9 8.941 -4.147 0.161 53 HD22 ASN 9 HD22 ASN 9 8.652 -5.833 -0.074 54 H GLU 10 HN GLU 10 8.935 -2.102 -4.255 55 HA GLU 10 HA GLU 10 6.938 -1.133 -2.374 56 HB2 GLU 10 HB2 GLU 10 7.275 -0.770 -5.351 57 HB3 GLU 10 HB1 GLU 10 5.884 -0.171 -4.461 58 HG2 GLU 10 HG2 GLU 10 7.301 1.256 -3.129 59 HG3 GLU 10 HG1 GLU 10 8.737 0.602 -3.914 60 H ASP 11 HN ASP 11 5.548 -2.594 -1.711 61 HA ASP 11 HA ASP 11 4.410 -4.458 -3.671 62 HB2 ASP 11 HB2 ASP 11 4.750 -4.606 -0.694 63 HB3 ASP 11 HB1 ASP 11 3.501 -5.559 -1.488 64 H ASP 12 HN ASP 12 3.200 -2.612 -4.461 65 HA ASP 12 HA ASP 12 1.329 -1.183 -2.943 66 HB2 ASP 12 HB2 ASP 12 1.181 -1.871 -5.889 67 HB3 ASP 12 HB1 ASP 12 0.274 -0.600 -5.081 68 H LEU 13 HN LEU 13 1.219 -4.340 -4.397 69 HA LEU 13 HA LEU 13 -1.549 -4.771 -4.393 70 HB2 LEU 13 HB2 LEU 13 0.626 -6.171 -5.186 71 HB3 LEU 13 HB1 LEU 13 0.226 -7.030 -3.722 72 HG LEU 13 HG LEU 13 -0.829 -8.205 -5.483 73 HD11 LEU 13 HD11 LEU 13 -2.235 -7.914 -3.518 74 HD12 LEU 13 HD12 LEU 13 -3.191 -8.023 -4.995 75 HD13 LEU 13 HD13 LEU 13 -2.927 -6.457 -4.231 76 HD21 LEU 13 HD21 LEU 13 -2.280 -7.158 -7.130 77 HD22 LEU 13 HD22 LEU 13 -0.663 -6.454 -7.181 78 HD23 LEU 13 HD23 LEU 13 -1.983 -5.579 -6.404 79 H ARG 14 HN ARG 14 0.940 -5.502 -1.965 80 HA ARG 14 HA ARG 14 -0.701 -6.534 0.031 81 HB2 ARG 14 HB2 ARG 14 1.904 -5.034 0.122 82 HB3 ARG 14 HB1 ARG 14 1.090 -5.532 1.595 83 HG2 ARG 14 HG2 ARG 14 1.929 -7.392 -0.618 84 HG3 ARG 14 HG1 ARG 14 2.822 -7.121 0.881 85 HD2 ARG 14 HD2 ARG 14 0.038 -8.241 0.615 86 HD3 ARG 14 HD1 ARG 14 1.486 -9.129 1.081 87 HE ARG 14 HE ARG 14 1.164 -6.995 2.859 88 HH11 ARG 14 HH11 ARG 14 -0.462 -9.983 2.014 89 HH12 ARG 14 HH12 ARG 14 -1.124 -10.213 3.601 90 HH21 ARG 14 HH21 ARG 14 0.285 -7.301 4.935 91 HH22 ARG 14 HH22 ARG 14 -0.700 -8.692 5.258 92 H CYS 15 HN CYS 15 0.347 -3.178 -0.457 93 HA CYS 15 HA CYS 15 -1.107 -1.973 1.556 94 HB2 CYS 15 HB2 CYS 15 -0.571 -0.872 -1.209 95 HB3 CYS 15 HB1 CYS 15 -0.852 0.046 0.256 96 H HIS 16 HN HIS 16 -2.051 -2.650 -1.803 97 HA HIS 16 HA HIS 16 -4.659 -1.680 -1.738 98 HB2 HIS 16 HB2 HIS 16 -3.676 -2.296 -3.833 99 HB3 HIS 16 HB1 HIS 16 -3.405 -3.948 -3.296 100 HD1 HIS 16 HD1 HIS 16 -6.330 -1.641 -4.082 101 HD2 HIS 16 HD2 HIS 16 -5.340 -5.678 -4.062 102 HE1 HIS 16 HE1 HIS 16 -8.358 -2.839 -4.956 103 HE2 HIS 16 HE2 HIS 16 -7.673 -5.257 -5.103 104 H ASN 17 HN ASN 17 -3.497 -4.978 -1.039 105 HA ASN 17 HA ASN 17 -5.999 -6.103 -0.476 106 HB2 ASN 17 HB2 ASN 17 -3.203 -6.859 0.342 107 HB3 ASN 17 HB1 ASN 17 -4.600 -7.806 0.825 108 HD21 ASN 17 HD21 ASN 17 -2.369 -8.566 -0.849 109 HD22 ASN 17 HD22 ASN 17 -3.029 -9.025 -2.379 110 H HIS 18 HN HIS 18 -3.762 -4.321 1.554 111 HA HIS 18 HA HIS 18 -5.121 -4.859 3.998 112 HB2 HIS 18 HB2 HIS 18 -2.829 -4.135 4.107 113 HB3 HIS 18 HB1 HIS 18 -3.193 -2.668 3.208 114 HD1 HIS 18 HD1 HIS 18 -4.129 -4.263 6.537 115 HD2 HIS 18 HD2 HIS 18 -3.651 -0.533 4.780 116 HE1 HIS 18 HE1 HIS 18 -4.517 -2.598 8.376 117 HE2 HIS 18 HE2 HIS 18 -4.038 -0.358 7.332 118 H CYS 19 HN CYS 19 -5.222 -2.187 1.676 119 HA CYS 19 HA CYS 19 -6.988 -0.617 3.261 120 HB2 CYS 19 HB2 CYS 19 -6.270 -0.387 0.337 121 HB3 CYS 19 HB1 CYS 19 -7.118 0.839 1.278 122 H LYS 20 HN LYS 20 -7.489 -3.023 0.744 123 HA LYS 20 HA LYS 20 -10.281 -2.380 0.456 124 HB2 LYS 20 HB2 LYS 20 -10.439 -4.450 -0.859 125 HB3 LYS 20 HB1 LYS 20 -9.120 -3.427 -1.408 126 HG2 LYS 20 HG2 LYS 20 -7.511 -4.829 -0.326 127 HG3 LYS 20 HG1 LYS 20 -8.783 -5.797 0.414 128 HD2 LYS 20 HD2 LYS 20 -8.366 -5.524 -2.559 129 HD3 LYS 20 HD1 LYS 20 -7.717 -6.844 -1.586 130 HE2 LYS 20 HE2 LYS 20 -9.981 -7.465 -0.919 131 HE3 LYS 20 HE1 LYS 20 -10.635 -6.146 -1.887 132 HZ1 LYS 20 HZ1 LYS 20 -10.778 -8.232 -3.072 133 HZ2 LYS 20 HZ2 LYS 20 -9.109 -8.468 -2.930 134 HZ3 LYS 20 HZ3 LYS 20 -9.706 -7.190 -3.861 135 H SER 21 HN SER 21 -8.531 -3.813 2.873 136 HA SER 21 HA SER 21 -10.680 -5.551 3.782 137 HB2 SER 21 HB2 SER 21 -8.290 -6.186 4.134 138 HB3 SER 21 HB1 SER 21 -8.103 -4.783 5.183 139 HG SER 21 HG SER 21 -10.155 -5.972 6.164 140 H ILE 22 HN ILE 22 -10.069 -2.336 3.711 141 HA ILE 22 HA ILE 22 -11.472 -1.791 6.240 142 HB ILE 22 HB ILE 22 -9.834 0.141 4.585 143 HG12 ILE 22 HG12 ILE 22 -9.053 -1.248 7.159 144 HG13 ILE 22 HG11 ILE 22 -8.443 -1.681 5.567 145 HG21 ILE 22 HG21 ILE 22 -9.964 1.567 6.567 146 HG22 ILE 22 HG22 ILE 22 -10.952 0.352 7.377 147 HG23 ILE 22 HG23 ILE 22 -11.570 1.178 5.947 148 HD11 ILE 22 HD11 ILE 22 -7.397 0.493 5.353 149 HD12 ILE 22 HD12 ILE 22 -6.862 -0.310 6.831 150 HD13 ILE 22 HD13 ILE 22 -8.060 0.984 6.913 151 H LYS 23 HN LYS 23 -13.508 -1.048 6.061 152 HA LYS 23 HA LYS 23 -14.807 -0.866 3.581 153 HB2 LYS 23 HB2 LYS 23 -15.812 -1.367 5.876 154 HB3 LYS 23 HB1 LYS 23 -15.793 0.372 6.136 155 HG2 LYS 23 HG2 LYS 23 -17.199 0.675 4.153 156 HG3 LYS 23 HG1 LYS 23 -17.242 -1.076 3.951 157 HD2 LYS 23 HD2 LYS 23 -18.220 0.385 6.397 158 HD3 LYS 23 HD1 LYS 23 -19.256 -0.155 5.075 159 HE2 LYS 23 HE2 LYS 23 -18.628 -2.461 5.500 160 HE3 LYS 23 HE1 LYS 23 -17.523 -1.948 6.772 161 HZ1 LYS 23 HZ1 LYS 23 -19.383 -1.127 8.039 162 HZ2 LYS 23 HZ2 LYS 23 -19.648 -2.750 7.643 163 HZ3 LYS 23 HZ3 LYS 23 -20.460 -1.531 6.802 164 H GLY 24 HN GLY 24 -15.285 0.809 2.285 165 HA2 GLY 24 HA2 GLY 24 -15.732 3.129 1.878 166 HA3 GLY 24 HA1 GLY 24 -14.635 3.529 3.193 167 H TYR 25 HN TYR 25 -12.532 1.762 2.405 168 HA TYR 25 HA TYR 25 -11.402 3.440 0.313 169 HB2 TYR 25 HB2 TYR 25 -10.148 1.337 2.091 170 HB3 TYR 25 HB1 TYR 25 -9.268 2.278 0.890 171 HD1 TYR 25 HD1 TYR 25 -10.367 2.142 4.257 172 HD2 TYR 25 HD2 TYR 25 -9.366 4.856 1.142 173 HE1 TYR 25 HE1 TYR 25 -10.004 3.910 5.922 174 HE2 TYR 25 HE2 TYR 25 -9.002 6.634 2.798 175 HH TYR 25 HH TYR 25 -8.764 5.994 6.136 176 H LYS 26 HN LYS 26 -10.448 2.621 -1.580 177 HA LYS 26 HA LYS 26 -11.549 -0.001 -2.353 178 HB2 LYS 26 HB2 LYS 26 -11.541 0.929 -4.713 179 HB3 LYS 26 HB1 LYS 26 -12.752 1.575 -3.619 180 HG2 LYS 26 HG2 LYS 26 -10.215 3.067 -3.778 181 HG3 LYS 26 HG1 LYS 26 -11.229 3.084 -5.222 182 HD2 LYS 26 HD2 LYS 26 -13.127 3.857 -3.863 183 HD3 LYS 26 HD1 LYS 26 -12.089 3.866 -2.436 184 HE2 LYS 26 HE2 LYS 26 -12.348 6.105 -3.409 185 HE3 LYS 26 HE1 LYS 26 -10.675 5.556 -3.433 186 HZ1 LYS 26 HZ1 LYS 26 -10.974 4.945 -5.770 187 HZ2 LYS 26 HZ2 LYS 26 -11.248 6.592 -5.515 188 HZ3 LYS 26 HZ3 LYS 26 -12.553 5.543 -5.732 189 H GLY 27 HN GLY 27 -8.698 1.925 -2.120 190 HA2 GLY 27 HA2 GLY 27 -7.182 -0.310 -3.199 191 HA3 GLY 27 HA1 GLY 27 -7.054 1.192 -4.095 192 H GLY 28 HN GLY 28 -4.793 0.260 -3.301 193 HA2 GLY 28 HA2 GLY 28 -3.887 2.175 -1.339 194 HA3 GLY 28 HA1 GLY 28 -3.687 0.489 -0.869 195 H TYR 29 HN TYR 29 -1.582 2.417 -1.339 196 HA TYR 29 HA TYR 29 0.061 0.892 -3.122 197 HB2 TYR 29 HB2 TYR 29 0.477 2.590 -4.796 198 HB3 TYR 29 HB1 TYR 29 -1.250 2.266 -4.740 199 HD1 TYR 29 HD1 TYR 29 -2.594 3.874 -3.107 200 HD2 TYR 29 HD2 TYR 29 1.161 4.799 -4.877 201 HE1 TYR 29 HE1 TYR 29 -3.038 6.270 -2.792 202 HE2 TYR 29 HE2 TYR 29 0.722 7.195 -4.567 203 HH TYR 29 HH TYR 29 -1.704 8.371 -2.568 204 H CYS 30 HN CYS 30 2.277 1.909 -3.318 205 HA CYS 30 HA CYS 30 3.064 2.828 -0.704 206 HB2 CYS 30 HB2 CYS 30 4.758 2.470 -3.183 207 HB3 CYS 30 HB1 CYS 30 5.352 2.702 -1.550 208 H ALA 31 HN ALA 31 2.480 4.844 -0.264 209 HA ALA 31 HA ALA 31 3.433 6.970 -2.076 210 HB1 ALA 31 HB1 ALA 31 1.648 8.384 -1.218 211 HB2 ALA 31 HB2 ALA 31 1.115 7.087 -0.148 212 HB3 ALA 31 HB3 ALA 31 0.979 6.900 -1.896 213 H LYS 32 HN LYS 32 3.221 9.106 -0.356 214 HA LYS 32 HA LYS 32 4.356 10.237 1.254 215 HB2 LYS 32 HB2 LYS 32 2.857 8.778 2.655 216 HB3 LYS 32 HB1 LYS 32 4.184 7.639 2.794 217 HG2 LYS 32 HG2 LYS 32 4.010 8.995 4.782 218 HG3 LYS 32 HG1 LYS 32 5.519 9.332 3.938 219 HD2 LYS 32 HD2 LYS 32 4.484 11.334 2.938 220 HD3 LYS 32 HD1 LYS 32 3.016 11.010 3.862 221 HE2 LYS 32 HE2 LYS 32 4.380 12.685 4.973 222 HE3 LYS 32 HE1 LYS 32 4.285 11.219 5.942 223 HZ1 LYS 32 HZ1 LYS 32 6.532 12.105 5.879 224 HZ2 LYS 32 HZ2 LYS 32 6.560 11.982 4.194 225 HZ3 LYS 32 HZ3 LYS 32 6.473 10.587 5.141 226 H GLY 33 HN GLY 33 5.970 9.534 -0.676 227 HA2 GLY 33 HA2 GLY 33 8.323 9.612 -0.888 228 HA3 GLY 33 HA1 GLY 33 8.467 8.834 0.682 229 H GLY 34 HN GLY 34 6.187 7.043 -0.551 230 HA2 GLY 34 HA2 GLY 34 6.124 5.208 -2.044 231 HA3 GLY 34 HA1 GLY 34 7.858 5.376 -2.284 232 H PHE 35 HN PHE 35 6.276 5.347 0.843 233 HA PHE 35 HA PHE 35 7.457 2.701 1.365 234 HB2 PHE 35 HB2 PHE 35 7.498 5.095 3.222 235 HB3 PHE 35 HB1 PHE 35 8.027 3.478 3.659 236 HD1 PHE 35 HD1 PHE 35 8.772 6.403 1.548 237 HD2 PHE 35 HD2 PHE 35 10.196 2.705 3.097 238 HE1 PHE 35 HE1 PHE 35 11.036 6.942 0.749 239 HE2 PHE 35 HE2 PHE 35 12.462 3.243 2.307 240 HZ PHE 35 HZ PHE 35 12.906 5.377 1.208 241 H VAL 36 HN VAL 36 5.004 5.079 2.162 242 HA VAL 36 HA VAL 36 3.738 3.325 4.099 243 HB VAL 36 HB VAL 36 3.053 6.125 3.194 244 HG11 VAL 36 HG11 VAL 36 1.839 4.474 5.400 245 HG12 VAL 36 HG12 VAL 36 1.035 5.040 3.935 246 HG13 VAL 36 HG13 VAL 36 1.566 6.200 5.153 247 HG21 VAL 36 HG21 VAL 36 4.332 5.117 5.728 248 HG22 VAL 36 HG22 VAL 36 3.904 6.793 5.388 249 HG23 VAL 36 HG23 VAL 36 5.145 5.987 4.428 250 H CYS 37 HN CYS 37 2.048 2.065 3.684 251 HA CYS 37 HA CYS 37 0.874 1.922 1.095 252 HB2 CYS 37 HB2 CYS 37 0.254 0.604 3.737 253 HB3 CYS 37 HB1 CYS 37 -0.648 0.276 2.274 254 H LYS 38 HN LYS 38 -0.028 4.000 0.763 255 HA LYS 38 HA LYS 38 -1.939 5.112 2.570 256 HB2 LYS 38 HB2 LYS 38 -0.681 6.498 0.943 257 HB3 LYS 38 HB1 LYS 38 -1.560 5.726 -0.367 258 HG2 LYS 38 HG2 LYS 38 -3.677 6.537 0.803 259 HG3 LYS 38 HG1 LYS 38 -2.611 7.568 1.754 260 HD2 LYS 38 HD2 LYS 38 -2.728 7.557 -1.254 261 HD3 LYS 38 HD1 LYS 38 -3.615 8.682 -0.227 262 HE2 LYS 38 HE2 LYS 38 -1.535 9.546 0.667 263 HE3 LYS 38 HE1 LYS 38 -0.619 8.370 -0.275 264 HZ1 LYS 38 HZ1 LYS 38 -2.323 10.530 -1.379 265 HZ2 LYS 38 HZ2 LYS 38 -1.485 9.382 -2.296 266 HZ3 LYS 38 HZ3 LYS 38 -0.631 10.510 -1.364 267 H CYS 39 HN CYS 39 -4.129 5.092 2.471 268 HA CYS 39 HA CYS 39 -5.329 3.148 0.619 269 HB2 CYS 39 HB2 CYS 39 -6.341 4.111 3.306 270 HB3 CYS 39 HB1 CYS 39 -7.155 2.949 2.261 271 H TYR 40 HN TYR 40 -6.884 3.829 -0.752 272 HA TYR 40 HA TYR 40 -7.944 6.531 -0.343 273 HB2 TYR 40 HB2 TYR 40 -7.897 6.908 -2.799 274 HB3 TYR 40 HB1 TYR 40 -6.288 6.753 -2.101 275 HD1 TYR 40 HD1 TYR 40 -4.828 4.991 -2.792 276 HD2 TYR 40 HD2 TYR 40 -8.849 5.081 -4.178 277 HE1 TYR 40 HE1 TYR 40 -4.283 3.288 -4.479 278 HE2 TYR 40 HE2 TYR 40 -8.316 3.383 -5.861 279 HH TYR 40 HH TYR 40 -6.360 2.525 -7.062 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 4.489 0.900 4.871 2 H2 GLY 1 HT2 GLY 1 5.324 0.982 6.340 3 H3 GLY 1 HT3 GLY 1 3.657 0.711 6.330 4 HA2 GLY 1 HA1 GLY 1 5.684 -1.147 5.229 5 HA3 GLY 1 HA2 GLY 1 4.900 -1.323 6.793 6 H PHE 2 HN PHE 2 3.643 -3.048 6.582 7 HA PHE 2 HA PHE 2 1.858 -4.325 6.041 8 HB2 PHE 2 HB2 PHE 2 0.902 -1.953 4.423 9 HB3 PHE 2 HB1 PHE 2 -0.072 -3.325 4.937 10 HD1 PHE 2 HD1 PHE 2 0.595 -3.690 7.711 11 HD2 PHE 2 HD2 PHE 2 0.154 -0.081 5.502 12 HE1 PHE 2 HE1 PHE 2 0.018 -2.499 9.784 13 HE2 PHE 2 HE2 PHE 2 -0.419 1.118 7.576 14 HZ PHE 2 HZ PHE 2 -0.487 -0.091 9.717 15 H GLY 3 HN GLY 3 4.233 -3.747 4.070 16 HA2 GLY 3 HA2 GLY 3 4.320 -5.688 2.347 17 HA3 GLY 3 HA1 GLY 3 3.059 -4.721 1.588 18 H CYS 4 HN CYS 4 4.579 -2.354 2.861 19 HA CYS 4 HA CYS 4 6.367 -1.933 0.610 20 HB2 CYS 4 HB2 CYS 4 5.376 -0.109 2.791 21 HB3 CYS 4 HB1 CYS 4 6.538 0.381 1.563 22 H ASN 5 HN ASN 5 8.473 -2.187 0.722 23 HA ASN 5 HA ASN 5 9.785 -1.923 3.341 24 HB2 ASN 5 HB2 ASN 5 10.228 -4.018 1.216 25 HB3 ASN 5 HB1 ASN 5 11.442 -3.654 2.437 26 HD21 ASN 5 HD21 ASN 5 8.270 -4.988 1.856 27 HD22 ASN 5 HD22 ASN 5 8.114 -5.775 3.386 28 H GLY 6 HN GLY 6 9.317 -0.025 1.192 29 HA2 GLY 6 HA2 GLY 6 10.938 1.807 0.979 30 HA3 GLY 6 HA1 GLY 6 12.124 0.593 0.525 31 HA PRO 7 HA PRO 7 9.697 2.538 -3.129 32 HB2 PRO 7 HB2 PRO 7 11.796 3.914 -4.216 33 HB3 PRO 7 HB1 PRO 7 10.632 4.613 -3.094 34 HG2 PRO 7 HG2 PRO 7 13.377 3.576 -2.563 35 HG3 PRO 7 HG1 PRO 7 12.582 5.022 -1.917 36 HD2 PRO 7 HD2 PRO 7 12.815 2.748 -0.486 37 HD3 PRO 7 HD1 PRO 7 11.411 3.820 -0.329 38 H TRP 8 HN TRP 8 12.599 0.853 -2.588 39 HA TRP 8 HA TRP 8 12.890 -0.043 -5.337 40 HB2 TRP 8 HB2 TRP 8 14.855 -1.223 -4.555 41 HB3 TRP 8 HB1 TRP 8 14.881 0.408 -3.897 42 HD1 TRP 8 HD1 TRP 8 13.808 0.513 -1.236 43 HE1 TRP 8 HE1 TRP 8 14.325 -1.104 0.699 44 HE3 TRP 8 HE3 TRP 8 15.514 -3.467 -3.950 45 HZ2 TRP 8 HZ2 TRP 8 15.322 -3.723 1.025 46 HZ3 TRP 8 HZ3 TRP 8 16.225 -5.493 -2.749 47 HH2 TRP 8 HH2 TRP 8 16.132 -5.616 -0.313 48 H ASN 9 HN ASN 9 11.108 -0.897 -2.610 49 HA ASN 9 HA ASN 9 10.418 -3.488 -3.678 50 HB2 ASN 9 HB2 ASN 9 12.467 -3.972 -2.387 51 HB3 ASN 9 HB1 ASN 9 11.729 -3.264 -0.955 52 HD21 ASN 9 HD21 ASN 9 11.985 -5.226 0.154 53 HD22 ASN 9 HD22 ASN 9 10.951 -6.580 -0.152 54 H GLU 10 HN GLU 10 8.718 -1.459 -3.556 55 HA GLU 10 HA GLU 10 7.052 -1.990 -1.216 56 HB2 GLU 10 HB2 GLU 10 5.694 -0.075 -2.596 57 HB3 GLU 10 HB1 GLU 10 6.845 0.234 -1.312 58 HG2 GLU 10 HG2 GLU 10 7.246 1.697 -3.185 59 HG3 GLU 10 HG1 GLU 10 8.609 0.607 -2.940 60 H ASP 11 HN ASP 11 5.146 -3.062 -1.372 61 HA ASP 11 HA ASP 11 4.618 -4.253 -3.999 62 HB2 ASP 11 HB2 ASP 11 5.123 -5.773 -2.070 63 HB3 ASP 11 HB1 ASP 11 3.631 -5.220 -1.313 64 H ASP 12 HN ASP 12 3.019 -3.465 -5.108 65 HA ASP 12 HA ASP 12 1.186 -1.564 -4.092 66 HB2 ASP 12 HB2 ASP 12 1.980 -1.617 -6.437 67 HB3 ASP 12 HB1 ASP 12 1.093 -3.115 -6.689 68 H LEU 13 HN LEU 13 1.042 -5.014 -4.599 69 HA LEU 13 HA LEU 13 -1.780 -5.279 -4.525 70 HB2 LEU 13 HB2 LEU 13 0.305 -6.902 -5.152 71 HB3 LEU 13 HB1 LEU 13 -0.111 -7.509 -3.570 72 HG LEU 13 HG LEU 13 -1.249 -8.864 -5.158 73 HD11 LEU 13 HD11 LEU 13 -3.235 -6.890 -4.056 74 HD12 LEU 13 HD12 LEU 13 -2.571 -8.279 -3.198 75 HD13 LEU 13 HD13 LEU 13 -3.587 -8.524 -4.616 76 HD21 LEU 13 HD21 LEU 13 -2.743 -7.955 -6.867 77 HD22 LEU 13 HD22 LEU 13 -1.091 -7.371 -7.076 78 HD23 LEU 13 HD23 LEU 13 -2.318 -6.318 -6.370 79 H ARG 14 HN ARG 14 0.805 -5.627 -2.131 80 HA ARG 14 HA ARG 14 -0.709 -6.343 0.088 81 HB2 ARG 14 HB2 ARG 14 1.779 -4.636 -0.080 82 HB3 ARG 14 HB1 ARG 14 1.062 -5.152 1.432 83 HG2 ARG 14 HG2 ARG 14 2.120 -6.969 -0.722 84 HG3 ARG 14 HG1 ARG 14 2.915 -6.591 0.807 85 HD2 ARG 14 HD2 ARG 14 0.334 -8.082 0.395 86 HD3 ARG 14 HD1 ARG 14 1.849 -8.715 1.033 87 HE ARG 14 HE ARG 14 1.141 -6.668 2.732 88 HH11 ARG 14 HH11 ARG 14 -0.282 -9.666 1.640 89 HH12 ARG 14 HH12 ARG 14 -1.199 -9.917 3.089 90 HH21 ARG 14 HH21 ARG 14 -0.071 -6.989 4.663 91 HH22 ARG 14 HH22 ARG 14 -1.079 -8.394 4.810 92 H CYS 15 HN CYS 15 0.224 -3.032 -0.864 93 HA CYS 15 HA CYS 15 -1.258 -1.637 0.981 94 HB2 CYS 15 HB2 CYS 15 -0.730 -0.900 -1.902 95 HB3 CYS 15 HB1 CYS 15 -1.180 0.205 -0.623 96 H HIS 16 HN HIS 16 -2.272 -2.883 -2.193 97 HA HIS 16 HA HIS 16 -4.909 -1.942 -2.164 98 HB2 HIS 16 HB2 HIS 16 -4.114 -2.847 -4.205 99 HB3 HIS 16 HB1 HIS 16 -3.625 -4.352 -3.445 100 HD1 HIS 16 HD1 HIS 16 -6.851 -2.486 -4.253 101 HD2 HIS 16 HD2 HIS 16 -5.432 -6.357 -3.730 102 HE1 HIS 16 HE1 HIS 16 -8.811 -3.991 -4.700 103 HE2 HIS 16 HE2 HIS 16 -7.876 -6.325 -4.584 104 H ASN 17 HN ASN 17 -3.626 -5.075 -1.071 105 HA ASN 17 HA ASN 17 -6.049 -6.156 -0.193 106 HB2 ASN 17 HB2 ASN 17 -3.189 -6.701 0.572 107 HB3 ASN 17 HB1 ASN 17 -4.526 -7.604 1.262 108 HD21 ASN 17 HD21 ASN 17 -2.366 -8.573 -0.377 109 HD22 ASN 17 HD22 ASN 17 -3.086 -9.273 -1.786 110 H HIS 18 HN HIS 18 -3.623 -4.250 1.497 111 HA HIS 18 HA HIS 18 -4.732 -4.420 4.069 112 HB2 HIS 18 HB2 HIS 18 -2.462 -3.619 3.703 113 HB3 HIS 18 HB1 HIS 18 -3.065 -2.234 2.805 114 HD1 HIS 18 HD1 HIS 18 -3.456 -3.664 6.316 115 HD2 HIS 18 HD2 HIS 18 -3.221 -0.025 4.328 116 HE1 HIS 18 HE1 HIS 18 -3.551 -1.904 8.115 117 HE2 HIS 18 HE2 HIS 18 -3.484 0.293 6.882 118 H CYS 19 HN CYS 19 -5.210 -2.031 1.493 119 HA CYS 19 HA CYS 19 -6.934 -0.425 3.125 120 HB2 CYS 19 HB2 CYS 19 -6.258 -0.295 0.190 121 HB3 CYS 19 HB1 CYS 19 -7.222 0.906 1.042 122 H LYS 20 HN LYS 20 -7.436 -2.910 0.675 123 HA LYS 20 HA LYS 20 -10.184 -2.301 0.227 124 HB2 LYS 20 HB2 LYS 20 -10.320 -4.347 -0.980 125 HB3 LYS 20 HB1 LYS 20 -8.716 -3.698 -1.295 126 HG2 LYS 20 HG2 LYS 20 -7.752 -5.228 0.311 127 HG3 LYS 20 HG1 LYS 20 -9.353 -5.841 0.720 128 HD2 LYS 20 HD2 LYS 20 -9.584 -6.525 -1.689 129 HD3 LYS 20 HD1 LYS 20 -7.876 -6.124 -1.890 130 HE2 LYS 20 HE2 LYS 20 -7.328 -7.732 -0.093 131 HE3 LYS 20 HE1 LYS 20 -9.033 -8.164 0.008 132 HZ1 LYS 20 HZ1 LYS 20 -8.905 -8.860 -2.335 133 HZ2 LYS 20 HZ2 LYS 20 -7.889 -9.759 -1.332 134 HZ3 LYS 20 HZ3 LYS 20 -7.243 -8.556 -2.326 135 H SER 21 HN SER 21 -8.490 -3.886 2.740 136 HA SER 21 HA SER 21 -10.785 -5.349 3.724 137 HB2 SER 21 HB2 SER 21 -8.480 -6.252 3.959 138 HB3 SER 21 HB1 SER 21 -8.077 -4.894 5.007 139 HG SER 21 HG SER 21 -9.911 -5.664 6.330 140 H ILE 22 HN ILE 22 -9.900 -2.199 3.712 141 HA ILE 22 HA ILE 22 -11.148 -1.631 6.314 142 HB ILE 22 HB ILE 22 -9.516 0.246 4.592 143 HG12 ILE 22 HG12 ILE 22 -8.688 -1.201 7.118 144 HG13 ILE 22 HG11 ILE 22 -8.160 -1.633 5.495 145 HG21 ILE 22 HG21 ILE 22 -9.485 1.655 6.603 146 HG22 ILE 22 HG22 ILE 22 -10.523 0.489 7.423 147 HG23 ILE 22 HG23 ILE 22 -11.127 1.371 6.022 148 HD11 ILE 22 HD11 ILE 22 -7.588 0.957 6.919 149 HD12 ILE 22 HD12 ILE 22 -7.079 0.554 5.280 150 HD13 ILE 22 HD13 ILE 22 -6.453 -0.365 6.648 151 H LYS 23 HN LYS 23 -13.244 -1.153 6.129 152 HA LYS 23 HA LYS 23 -14.603 -0.702 3.760 153 HB2 LYS 23 HB2 LYS 23 -15.543 -1.331 6.058 154 HB3 LYS 23 HB1 LYS 23 -15.499 0.390 6.416 155 HG2 LYS 23 HG2 LYS 23 -17.034 0.869 4.650 156 HG3 LYS 23 HG1 LYS 23 -16.964 -0.800 4.088 157 HD2 LYS 23 HD2 LYS 23 -19.004 -0.478 5.320 158 HD3 LYS 23 HD1 LYS 23 -17.934 -1.523 6.250 159 HE2 LYS 23 HE2 LYS 23 -18.976 0.079 7.716 160 HE3 LYS 23 HE1 LYS 23 -17.253 0.427 7.599 161 HZ1 LYS 23 HZ1 LYS 23 -18.613 2.429 7.477 162 HZ2 LYS 23 HZ2 LYS 23 -19.387 1.842 6.097 163 HZ3 LYS 23 HZ3 LYS 23 -17.736 2.200 6.053 164 H GLY 24 HN GLY 24 -15.082 1.041 2.576 165 HA2 GLY 24 HA2 GLY 24 -15.364 3.433 2.312 166 HA3 GLY 24 HA1 GLY 24 -14.095 3.657 3.509 167 H TYR 25 HN TYR 25 -12.370 1.602 2.392 168 HA TYR 25 HA TYR 25 -11.440 3.065 0.003 169 HB2 TYR 25 HB2 TYR 25 -9.764 1.381 1.876 170 HB3 TYR 25 HB1 TYR 25 -9.189 2.437 0.592 171 HD1 TYR 25 HD1 TYR 25 -9.574 2.167 4.040 172 HD2 TYR 25 HD2 TYR 25 -10.036 4.971 0.878 173 HE1 TYR 25 HE1 TYR 25 -9.399 4.011 5.657 174 HE2 TYR 25 HE2 TYR 25 -9.858 6.822 2.480 175 HH TYR 25 HH TYR 25 -10.295 7.148 4.955 176 H LYS 26 HN LYS 26 -10.608 1.800 -1.770 177 HA LYS 26 HA LYS 26 -11.435 -1.020 -1.616 178 HB2 LYS 26 HB2 LYS 26 -12.148 -0.963 -3.885 179 HB3 LYS 26 HB1 LYS 26 -12.832 0.439 -3.096 180 HG2 LYS 26 HG2 LYS 26 -12.191 1.280 -5.125 181 HG3 LYS 26 HG1 LYS 26 -10.830 1.708 -4.090 182 HD2 LYS 26 HD2 LYS 26 -9.466 0.046 -4.996 183 HD3 LYS 26 HD1 LYS 26 -10.834 -0.847 -5.664 184 HE2 LYS 26 HE2 LYS 26 -9.867 1.846 -6.624 185 HE3 LYS 26 HE1 LYS 26 -9.524 0.304 -7.400 186 HZ1 LYS 26 HZ1 LYS 26 -12.192 1.553 -7.060 187 HZ2 LYS 26 HZ2 LYS 26 -11.930 0.013 -7.701 188 HZ3 LYS 26 HZ3 LYS 26 -11.338 1.372 -8.506 189 H GLY 27 HN GLY 27 -8.829 0.967 -1.770 190 HA2 GLY 27 HA2 GLY 27 -6.969 -1.089 -2.159 191 HA3 GLY 27 HA1 GLY 27 -7.154 -0.225 -3.680 192 H GLY 28 HN GLY 28 -4.721 -0.044 -2.848 193 HA2 GLY 28 HA2 GLY 28 -4.450 2.709 -2.038 194 HA3 GLY 28 HA1 GLY 28 -3.866 1.560 -0.843 195 H TYR 29 HN TYR 29 -2.092 3.299 -1.782 196 HA TYR 29 HA TYR 29 -0.309 1.610 -3.354 197 HB2 TYR 29 HB2 TYR 29 0.372 3.678 -4.694 198 HB3 TYR 29 HB1 TYR 29 -1.159 2.927 -5.124 199 HD1 TYR 29 HD1 TYR 29 -3.102 4.238 -5.232 200 HD2 TYR 29 HD2 TYR 29 0.275 5.696 -3.094 201 HE1 TYR 29 HE1 TYR 29 -4.230 6.403 -4.937 202 HE2 TYR 29 HE2 TYR 29 -0.845 7.861 -2.795 203 HH TYR 29 HH TYR 29 -2.569 9.179 -3.683 204 H CYS 30 HN CYS 30 1.922 2.171 -3.103 205 HA CYS 30 HA CYS 30 2.415 3.157 -0.442 206 HB2 CYS 30 HB2 CYS 30 3.600 1.195 -1.797 207 HB3 CYS 30 HB1 CYS 30 4.668 2.511 -2.268 208 H ALA 31 HN ALA 31 2.834 5.159 0.040 209 HA ALA 31 HA ALA 31 4.214 6.889 -1.889 210 HB1 ALA 31 HB1 ALA 31 1.699 7.619 -0.388 211 HB2 ALA 31 HB2 ALA 31 1.833 7.349 -2.125 212 HB3 ALA 31 HB3 ALA 31 2.655 8.719 -1.380 213 H LYS 32 HN LYS 32 4.181 9.209 -0.408 214 HA LYS 32 HA LYS 32 5.388 10.307 1.155 215 HB2 LYS 32 HB2 LYS 32 4.183 8.118 2.831 216 HB3 LYS 32 HB1 LYS 32 5.045 9.489 3.516 217 HG2 LYS 32 HG2 LYS 32 2.582 9.678 1.789 218 HG3 LYS 32 HG1 LYS 32 2.595 9.765 3.552 219 HD2 LYS 32 HD2 LYS 32 3.980 11.759 3.464 220 HD3 LYS 32 HD1 LYS 32 4.049 11.657 1.705 221 HE2 LYS 32 HE2 LYS 32 1.508 11.983 3.288 222 HE3 LYS 32 HE1 LYS 32 2.408 13.314 2.575 223 HZ1 LYS 32 HZ1 LYS 32 1.183 11.055 1.087 224 HZ2 LYS 32 HZ2 LYS 32 2.069 12.314 0.393 225 HZ3 LYS 32 HZ3 LYS 32 0.593 12.638 1.152 226 H GLY 33 HN GLY 33 7.127 9.165 -0.295 227 HA2 GLY 33 HA2 GLY 33 9.444 8.795 -0.020 228 HA3 GLY 33 HA1 GLY 33 9.129 8.143 1.582 229 H GLY 34 HN GLY 34 6.828 6.776 -0.183 230 HA2 GLY 34 HA2 GLY 34 6.626 4.807 -1.405 231 HA3 GLY 34 HA1 GLY 34 8.380 4.702 -1.473 232 H PHE 35 HN PHE 35 6.418 5.055 1.444 233 HA PHE 35 HA PHE 35 7.034 2.267 2.124 234 HB2 PHE 35 HB2 PHE 35 7.405 4.647 3.965 235 HB3 PHE 35 HB1 PHE 35 7.500 2.972 4.481 236 HD1 PHE 35 HD1 PHE 35 9.160 5.640 2.592 237 HD2 PHE 35 HD2 PHE 35 9.445 1.644 4.031 238 HE1 PHE 35 HE1 PHE 35 11.574 5.648 2.123 239 HE2 PHE 35 HE2 PHE 35 11.858 1.645 3.560 240 HZ PHE 35 HZ PHE 35 12.927 3.648 2.606 241 H VAL 36 HN VAL 36 4.811 4.889 2.197 242 HA VAL 36 HA VAL 36 3.141 3.553 4.193 243 HB VAL 36 HB VAL 36 2.805 6.286 2.949 244 HG11 VAL 36 HG11 VAL 36 1.192 6.671 4.759 245 HG12 VAL 36 HG12 VAL 36 1.376 4.994 5.270 246 HG13 VAL 36 HG13 VAL 36 0.686 5.362 3.690 247 HG21 VAL 36 HG21 VAL 36 4.811 6.165 4.328 248 HG22 VAL 36 HG22 VAL 36 3.866 5.506 5.662 249 HG23 VAL 36 HG23 VAL 36 3.573 7.152 5.104 250 H CYS 37 HN CYS 37 1.773 2.088 3.392 251 HA CYS 37 HA CYS 37 0.681 2.146 0.770 252 HB2 CYS 37 HB2 CYS 37 0.068 0.599 3.280 253 HB3 CYS 37 HB1 CYS 37 -0.914 0.427 1.845 254 H LYS 38 HN LYS 38 -0.140 4.384 0.768 255 HA LYS 38 HA LYS 38 -2.214 5.134 2.590 256 HB2 LYS 38 HB2 LYS 38 -0.668 6.707 1.282 257 HB3 LYS 38 HB1 LYS 38 -1.744 6.440 -0.077 258 HG2 LYS 38 HG2 LYS 38 -3.632 7.182 1.394 259 HG3 LYS 38 HG1 LYS 38 -2.425 7.656 2.588 260 HD2 LYS 38 HD2 LYS 38 -2.914 9.617 1.417 261 HD3 LYS 38 HD1 LYS 38 -1.389 9.060 0.727 262 HE2 LYS 38 HE2 LYS 38 -2.826 9.763 -1.059 263 HE3 LYS 38 HE1 LYS 38 -2.679 8.008 -1.120 264 HZ1 LYS 38 HZ1 LYS 38 -4.967 8.766 -1.449 265 HZ2 LYS 38 HZ2 LYS 38 -4.958 9.492 0.077 266 HZ3 LYS 38 HZ3 LYS 38 -4.832 7.811 -0.057 267 H CYS 39 HN CYS 39 -4.392 5.358 2.193 268 HA CYS 39 HA CYS 39 -5.374 3.466 0.171 269 HB2 CYS 39 HB2 CYS 39 -6.734 4.448 2.688 270 HB3 CYS 39 HB1 CYS 39 -7.327 3.191 1.607 271 H TYR 40 HN TYR 40 -7.458 3.965 -0.838 272 HA TYR 40 HA TYR 40 -8.113 6.813 -0.855 273 HB2 TYR 40 HB2 TYR 40 -8.528 6.629 -3.342 274 HB3 TYR 40 HB1 TYR 40 -6.846 6.617 -2.842 275 HD1 TYR 40 HD1 TYR 40 -5.449 5.071 -3.859 276 HD2 TYR 40 HD2 TYR 40 -9.603 4.202 -3.558 277 HE1 TYR 40 HE1 TYR 40 -5.099 2.994 -5.103 278 HE2 TYR 40 HE2 TYR 40 -9.258 2.111 -4.804 279 HH TYR 40 HH TYR 40 -7.615 1.179 -6.418 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 4.351 -0.397 7.882 2 H2 GLY 1 HT2 GLY 1 5.265 0.608 6.876 3 H3 GLY 1 HT3 GLY 1 5.519 -1.064 6.858 4 HA2 GLY 1 HA1 GLY 1 3.046 0.319 5.995 5 HA3 GLY 1 HA2 GLY 1 4.261 -0.359 4.922 6 H PHE 2 HN PHE 2 2.358 -1.539 4.099 7 HA PHE 2 HA PHE 2 1.968 -4.011 5.606 8 HB2 PHE 2 HB2 PHE 2 -0.139 -2.662 3.909 9 HB3 PHE 2 HB1 PHE 2 -0.337 -4.138 4.849 10 HD1 PHE 2 HD1 PHE 2 -0.236 -4.009 7.344 11 HD2 PHE 2 HD2 PHE 2 -0.451 -0.552 4.874 12 HE1 PHE 2 HE1 PHE 2 -0.975 -2.679 9.278 13 HE2 PHE 2 HE2 PHE 2 -1.189 0.782 6.802 14 HZ PHE 2 HZ PHE 2 -1.450 -0.279 9.008 15 H GLY 3 HN GLY 3 3.918 -4.390 4.155 16 HA2 GLY 3 HA2 GLY 3 4.597 -5.741 2.351 17 HA3 GLY 3 HA1 GLY 3 3.037 -5.458 1.586 18 H CYS 4 HN CYS 4 5.430 -3.242 2.903 19 HA CYS 4 HA CYS 4 6.233 -2.267 0.336 20 HB2 CYS 4 HB2 CYS 4 3.999 -1.198 0.636 21 HB3 CYS 4 HB1 CYS 4 4.602 -0.441 2.108 22 H ASN 5 HN ASN 5 8.316 -2.548 1.003 23 HA ASN 5 HA ASN 5 9.141 -1.102 3.429 24 HB2 ASN 5 HB2 ASN 5 10.282 -3.542 2.078 25 HB3 ASN 5 HB1 ASN 5 11.203 -2.616 3.258 26 HD21 ASN 5 HD21 ASN 5 8.414 -4.656 2.756 27 HD22 ASN 5 HD22 ASN 5 8.155 -5.036 4.422 28 H GLY 6 HN GLY 6 8.739 0.139 0.861 29 HA2 GLY 6 HA2 GLY 6 10.008 2.132 0.348 30 HA3 GLY 6 HA1 GLY 6 11.476 1.185 0.533 31 HA PRO 7 HA PRO 7 9.957 1.823 -3.968 32 HB2 PRO 7 HB2 PRO 7 12.511 2.611 -4.767 33 HB3 PRO 7 HB1 PRO 7 11.147 3.680 -4.453 34 HG2 PRO 7 HG2 PRO 7 13.440 2.965 -2.694 35 HG3 PRO 7 HG1 PRO 7 12.590 4.512 -2.861 36 HD2 PRO 7 HD2 PRO 7 12.173 2.914 -0.757 37 HD3 PRO 7 HD1 PRO 7 10.846 3.841 -1.487 38 H TRP 8 HN TRP 8 12.768 0.337 -2.492 39 HA TRP 8 HA TRP 8 13.345 -1.294 -4.797 40 HB2 TRP 8 HB2 TRP 8 15.154 -2.198 -3.533 41 HB3 TRP 8 HB1 TRP 8 15.093 -0.479 -3.167 42 HD1 TRP 8 HD1 TRP 8 13.954 0.157 -0.719 43 HE1 TRP 8 HE1 TRP 8 14.054 -1.133 1.505 44 HE3 TRP 8 HE3 TRP 8 15.264 -4.440 -2.514 45 HZ2 TRP 8 HZ2 TRP 8 14.610 -3.756 2.381 46 HZ3 TRP 8 HZ3 TRP 8 15.557 -6.290 -0.918 47 HH2 TRP 8 HH2 TRP 8 15.238 -5.954 1.478 48 H ASN 9 HN ASN 9 11.219 -1.480 -2.138 49 HA ASN 9 HA ASN 9 10.674 -4.300 -2.685 50 HB2 ASN 9 HB2 ASN 9 12.373 -3.870 -0.709 51 HB3 ASN 9 HB1 ASN 9 10.905 -3.475 0.180 52 HD21 ASN 9 HD21 ASN 9 9.304 -5.099 0.447 53 HD22 ASN 9 HD22 ASN 9 9.718 -6.775 0.336 54 H GLU 10 HN GLU 10 9.111 -2.243 -3.457 55 HA GLU 10 HA GLU 10 6.963 -2.026 -1.486 56 HB2 GLU 10 HB2 GLU 10 6.058 -0.489 -3.461 57 HB3 GLU 10 HB1 GLU 10 7.212 0.107 -2.276 58 HG2 GLU 10 HG2 GLU 10 8.969 0.057 -3.751 59 HG3 GLU 10 HG1 GLU 10 8.202 -1.146 -4.791 60 H ASP 11 HN ASP 11 5.956 -4.002 -1.598 61 HA ASP 11 HA ASP 11 5.244 -5.327 -3.974 62 HB2 ASP 11 HB2 ASP 11 4.029 -5.399 -1.211 63 HB3 ASP 11 HB1 ASP 11 3.438 -6.401 -2.530 64 H ASP 12 HN ASP 12 3.487 -3.071 -1.927 65 HA ASP 12 HA ASP 12 2.038 -1.396 -2.385 66 HB2 ASP 12 HB2 ASP 12 3.441 -1.228 -4.486 67 HB3 ASP 12 HB1 ASP 12 2.197 -2.169 -5.290 68 H LEU 13 HN LEU 13 1.535 -4.426 -4.004 69 HA LEU 13 HA LEU 13 -1.284 -4.220 -4.349 70 HB2 LEU 13 HB2 LEU 13 0.644 -5.882 -5.263 71 HB3 LEU 13 HB1 LEU 13 -0.033 -6.877 -4.000 72 HG LEU 13 HG LEU 13 -1.087 -7.490 -6.053 73 HD11 LEU 13 HD11 LEU 13 -3.433 -7.048 -5.615 74 HD12 LEU 13 HD12 LEU 13 -2.989 -5.767 -4.487 75 HD13 LEU 13 HD13 LEU 13 -2.567 -7.441 -4.130 76 HD21 LEU 13 HD21 LEU 13 -1.817 -4.589 -6.402 77 HD22 LEU 13 HD22 LEU 13 -2.263 -5.914 -7.473 78 HD23 LEU 13 HD23 LEU 13 -0.571 -5.449 -7.306 79 H ARG 14 HN ARG 14 0.828 -5.660 -1.947 80 HA ARG 14 HA ARG 14 -1.064 -6.884 -0.314 81 HB2 ARG 14 HB2 ARG 14 1.666 -5.745 0.182 82 HB3 ARG 14 HB1 ARG 14 0.729 -6.425 1.502 83 HG2 ARG 14 HG2 ARG 14 0.688 -8.571 0.473 84 HG3 ARG 14 HG1 ARG 14 1.341 -7.929 -1.032 85 HD2 ARG 14 HD2 ARG 14 3.061 -9.120 0.184 86 HD3 ARG 14 HD1 ARG 14 3.441 -7.401 0.123 87 HE ARG 14 HE ARG 14 2.069 -7.897 2.508 88 HH11 ARG 14 HH11 ARG 14 5.115 -8.736 0.991 89 HH12 ARG 14 HH12 ARG 14 5.974 -8.862 2.492 90 HH21 ARG 14 HH21 ARG 14 3.196 -8.054 4.480 91 HH22 ARG 14 HH22 ARG 14 4.879 -8.480 4.486 92 H CYS 15 HN CYS 15 0.272 -3.585 -0.065 93 HA CYS 15 HA CYS 15 -1.310 -2.685 2.028 94 HB2 CYS 15 HB2 CYS 15 -0.081 -1.260 -0.329 95 HB3 CYS 15 HB1 CYS 15 -0.910 -0.423 0.966 96 H HIS 16 HN HIS 16 -1.930 -2.739 -1.457 97 HA HIS 16 HA HIS 16 -4.420 -1.462 -1.467 98 HB2 HIS 16 HB2 HIS 16 -3.352 -1.835 -3.554 99 HB3 HIS 16 HB1 HIS 16 -3.198 -3.556 -3.263 100 HD1 HIS 16 HD1 HIS 16 -5.808 -0.963 -4.137 101 HD2 HIS 16 HD2 HIS 16 -5.256 -5.077 -4.205 102 HE1 HIS 16 HE1 HIS 16 -7.821 -1.894 -5.314 103 HE2 HIS 16 HE2 HIS 16 -7.319 -4.346 -5.578 104 H ASN 17 HN ASN 17 -3.623 -4.909 -1.193 105 HA ASN 17 HA ASN 17 -6.245 -5.861 -0.968 106 HB2 ASN 17 HB2 ASN 17 -3.614 -6.967 0.012 107 HB3 ASN 17 HB1 ASN 17 -5.128 -7.849 0.132 108 HD21 ASN 17 HD21 ASN 17 -2.745 -8.552 -1.357 109 HD22 ASN 17 HD22 ASN 17 -3.223 -8.668 -3.018 110 H HIS 18 HN HIS 18 -3.916 -4.867 1.496 111 HA HIS 18 HA HIS 18 -5.394 -5.465 3.775 112 HB2 HIS 18 HB2 HIS 18 -3.075 -4.782 3.939 113 HB3 HIS 18 HB1 HIS 18 -3.444 -3.209 3.257 114 HD1 HIS 18 HD1 HIS 18 -4.039 -5.232 6.413 115 HD2 HIS 18 HD2 HIS 18 -4.121 -1.310 5.057 116 HE1 HIS 18 HE1 HIS 18 -4.435 -3.815 8.456 117 HE2 HIS 18 HE2 HIS 18 -4.300 -1.437 7.633 118 H CYS 19 HN CYS 19 -5.393 -2.479 1.835 119 HA CYS 19 HA CYS 19 -7.292 -1.285 3.652 120 HB2 CYS 19 HB2 CYS 19 -5.764 -0.270 1.285 121 HB3 CYS 19 HB1 CYS 19 -7.074 0.674 1.986 122 H LYS 20 HN LYS 20 -7.436 -2.779 0.463 123 HA LYS 20 HA LYS 20 -10.001 -1.657 -0.140 124 HB2 LYS 20 HB2 LYS 20 -10.013 -2.915 -2.087 125 HB3 LYS 20 HB1 LYS 20 -8.296 -2.706 -1.798 126 HG2 LYS 20 HG2 LYS 20 -8.051 -4.931 -1.056 127 HG3 LYS 20 HG1 LYS 20 -9.796 -5.160 -0.924 128 HD2 LYS 20 HD2 LYS 20 -9.883 -4.724 -3.427 129 HD3 LYS 20 HD1 LYS 20 -8.129 -4.897 -3.414 130 HE2 LYS 20 HE2 LYS 20 -10.050 -6.994 -2.412 131 HE3 LYS 20 HE1 LYS 20 -9.372 -6.971 -4.036 132 HZ1 LYS 20 HZ1 LYS 20 -8.125 -8.450 -2.635 133 HZ2 LYS 20 HZ2 LYS 20 -7.848 -7.231 -1.502 134 HZ3 LYS 20 HZ3 LYS 20 -7.151 -7.131 -3.042 135 H SER 21 HN SER 21 -8.946 -4.050 1.966 136 HA SER 21 HA SER 21 -11.466 -5.477 2.063 137 HB2 SER 21 HB2 SER 21 -9.306 -6.654 2.445 138 HB3 SER 21 HB1 SER 21 -9.052 -5.671 3.885 139 HG SER 21 HG SER 21 -11.340 -7.307 3.514 140 H ILE 22 HN ILE 22 -9.915 -2.790 3.574 141 HA ILE 22 HA ILE 22 -11.596 -2.738 5.913 142 HB ILE 22 HB ILE 22 -9.797 -0.589 4.767 143 HG12 ILE 22 HG12 ILE 22 -9.319 -2.510 7.059 144 HG13 ILE 22 HG11 ILE 22 -8.587 -2.635 5.463 145 HG21 ILE 22 HG21 ILE 22 -9.973 0.461 6.973 146 HG22 ILE 22 HG22 ILE 22 -11.119 -0.784 7.472 147 HG23 ILE 22 HG23 ILE 22 -11.546 0.342 6.183 148 HD11 ILE 22 HD11 ILE 22 -8.201 -0.352 7.388 149 HD12 ILE 22 HD12 ILE 22 -7.433 -0.527 5.810 150 HD13 ILE 22 HD13 ILE 22 -7.058 -1.667 7.104 151 H LYS 23 HN LYS 23 -13.616 -2.031 5.922 152 HA LYS 23 HA LYS 23 -14.980 -1.120 3.682 153 HB2 LYS 23 HB2 LYS 23 -15.871 -2.083 5.915 154 HB3 LYS 23 HB1 LYS 23 -15.825 -0.416 6.467 155 HG2 LYS 23 HG2 LYS 23 -17.368 0.256 4.756 156 HG3 LYS 23 HG1 LYS 23 -17.334 -1.360 4.051 157 HD2 LYS 23 HD2 LYS 23 -19.337 -1.154 5.351 158 HD3 LYS 23 HD1 LYS 23 -18.242 -2.244 6.196 159 HE2 LYS 23 HE2 LYS 23 -19.221 -0.770 7.804 160 HE3 LYS 23 HE1 LYS 23 -17.528 -0.327 7.612 161 HZ1 LYS 23 HZ1 LYS 23 -18.982 1.611 7.675 162 HZ2 LYS 23 HZ2 LYS 23 -19.816 1.049 6.314 163 HZ3 LYS 23 HZ3 LYS 23 -18.191 1.490 6.185 164 H GLY 24 HN GLY 24 -15.214 0.803 2.763 165 HA2 GLY 24 HA2 GLY 24 -15.429 3.200 2.868 166 HA3 GLY 24 HA1 GLY 24 -14.335 3.192 4.244 167 H TYR 25 HN TYR 25 -12.654 1.158 2.679 168 HA TYR 25 HA TYR 25 -11.387 3.114 0.869 169 HB2 TYR 25 HB2 TYR 25 -10.060 0.918 2.474 170 HB3 TYR 25 HB1 TYR 25 -9.244 1.965 1.322 171 HD1 TYR 25 HD1 TYR 25 -9.982 1.470 4.701 172 HD2 TYR 25 HD2 TYR 25 -9.525 4.557 1.814 173 HE1 TYR 25 HE1 TYR 25 -9.522 3.070 6.502 174 HE2 TYR 25 HE2 TYR 25 -9.066 6.176 3.608 175 HH TYR 25 HH TYR 25 -8.477 5.198 6.856 176 H LYS 26 HN LYS 26 -10.366 2.285 -1.016 177 HA LYS 26 HA LYS 26 -11.121 -0.452 -1.764 178 HB2 LYS 26 HB2 LYS 26 -11.614 0.479 -4.088 179 HB3 LYS 26 HB1 LYS 26 -12.817 0.766 -2.838 180 HG2 LYS 26 HG2 LYS 26 -12.749 2.891 -3.497 181 HG3 LYS 26 HG1 LYS 26 -11.195 2.979 -2.664 182 HD2 LYS 26 HD2 LYS 26 -10.854 3.827 -4.853 183 HD3 LYS 26 HD1 LYS 26 -10.126 2.221 -4.800 184 HE2 LYS 26 HE2 LYS 26 -12.070 1.277 -5.904 185 HE3 LYS 26 HE1 LYS 26 -12.863 2.850 -5.895 186 HZ1 LYS 26 HZ1 LYS 26 -11.908 2.416 -8.043 187 HZ2 LYS 26 HZ2 LYS 26 -10.384 2.142 -7.366 188 HZ3 LYS 26 HZ3 LYS 26 -11.066 3.689 -7.312 189 H GLY 27 HN GLY 27 -8.699 1.779 -1.414 190 HA2 GLY 27 HA2 GLY 27 -6.911 0.099 -2.991 191 HA3 GLY 27 HA1 GLY 27 -6.997 1.788 -3.460 192 H GLY 28 HN GLY 28 -4.624 0.682 -2.710 193 HA2 GLY 28 HA2 GLY 28 -3.819 2.453 -0.618 194 HA3 GLY 28 HA1 GLY 28 -3.791 0.773 -0.094 195 H TYR 29 HN TYR 29 -1.949 3.191 -1.473 196 HA TYR 29 HA TYR 29 -0.140 1.242 -2.741 197 HB2 TYR 29 HB2 TYR 29 0.125 2.608 -4.712 198 HB3 TYR 29 HB1 TYR 29 -1.592 2.300 -4.488 199 HD1 TYR 29 HD1 TYR 29 -2.833 4.181 -3.051 200 HD2 TYR 29 HD2 TYR 29 0.767 4.762 -5.238 201 HE1 TYR 29 HE1 TYR 29 -3.272 6.595 -3.123 202 HE2 TYR 29 HE2 TYR 29 0.337 7.179 -5.318 203 HH TYR 29 HH TYR 29 -1.511 8.729 -5.134 204 H CYS 30 HN CYS 30 2.049 1.890 -2.868 205 HA CYS 30 HA CYS 30 2.885 3.577 -0.697 206 HB2 CYS 30 HB2 CYS 30 4.642 2.467 -2.891 207 HB3 CYS 30 HB1 CYS 30 5.117 2.936 -1.267 208 H ALA 31 HN ALA 31 2.528 5.710 -0.949 209 HA ALA 31 HA ALA 31 3.066 6.929 -3.561 210 HB1 ALA 31 HB1 ALA 31 0.885 7.383 -2.560 211 HB2 ALA 31 HB2 ALA 31 1.833 8.862 -2.714 212 HB3 ALA 31 HB3 ALA 31 1.673 8.078 -1.143 213 H LYS 32 HN LYS 32 3.387 8.248 -0.291 214 HA LYS 32 HA LYS 32 5.514 9.910 -1.031 215 HB2 LYS 32 HB2 LYS 32 4.570 9.144 1.729 216 HB3 LYS 32 HB1 LYS 32 5.624 10.496 1.349 217 HG2 LYS 32 HG2 LYS 32 2.788 10.178 0.394 218 HG3 LYS 32 HG1 LYS 32 3.313 11.202 1.731 219 HD2 LYS 32 HD2 LYS 32 4.726 12.478 0.161 220 HD3 LYS 32 HD1 LYS 32 4.123 11.480 -1.163 221 HE2 LYS 32 HE2 LYS 32 2.954 13.640 -1.001 222 HE3 LYS 32 HE1 LYS 32 1.871 12.268 -0.783 223 HZ1 LYS 32 HZ1 LYS 32 1.911 12.615 1.580 224 HZ2 LYS 32 HZ2 LYS 32 1.474 14.060 0.820 225 HZ3 LYS 32 HZ3 LYS 32 3.042 13.866 1.427 226 H GLY 33 HN GLY 33 7.507 9.313 -1.430 227 HA2 GLY 33 HA2 GLY 33 9.621 8.515 -1.062 228 HA3 GLY 33 HA1 GLY 33 9.104 8.053 0.549 229 H GLY 34 HN GLY 34 7.034 6.653 -1.646 230 HA2 GLY 34 HA2 GLY 34 6.785 4.476 -2.362 231 HA3 GLY 34 HA1 GLY 34 8.534 4.312 -2.285 232 H PHE 35 HN PHE 35 6.994 5.427 0.559 233 HA PHE 35 HA PHE 35 7.181 2.733 1.735 234 HB2 PHE 35 HB2 PHE 35 7.938 5.414 2.877 235 HB3 PHE 35 HB1 PHE 35 7.574 4.051 3.923 236 HD1 PHE 35 HD1 PHE 35 9.916 5.381 1.427 237 HD2 PHE 35 HD2 PHE 35 9.106 2.251 4.193 238 HE1 PHE 35 HE1 PHE 35 12.248 4.624 1.246 239 HE2 PHE 35 HE2 PHE 35 11.438 1.485 4.015 240 HZ PHE 35 HZ PHE 35 13.013 2.674 2.541 241 H VAL 36 HN VAL 36 5.428 5.783 1.674 242 HA VAL 36 HA VAL 36 3.553 4.904 3.687 243 HB VAL 36 HB VAL 36 3.469 7.377 1.956 244 HG11 VAL 36 HG11 VAL 36 1.904 8.234 3.641 245 HG12 VAL 36 HG12 VAL 36 1.946 6.674 4.464 246 HG13 VAL 36 HG13 VAL 36 1.276 6.796 2.835 247 HG21 VAL 36 HG21 VAL 36 4.472 6.997 4.773 248 HG22 VAL 36 HG22 VAL 36 4.328 8.541 3.934 249 HG23 VAL 36 HG23 VAL 36 5.463 7.322 3.351 250 H CYS 37 HN CYS 37 2.250 3.302 3.055 251 HA CYS 37 HA CYS 37 1.006 3.207 0.491 252 HB2 CYS 37 HB2 CYS 37 0.596 1.663 3.052 253 HB3 CYS 37 HB1 CYS 37 -0.312 1.356 1.586 254 H LYS 38 HN LYS 38 -0.158 5.094 0.221 255 HA LYS 38 HA LYS 38 -2.055 5.973 2.194 256 HB2 LYS 38 HB2 LYS 38 -0.943 7.486 0.496 257 HB3 LYS 38 HB1 LYS 38 -1.992 6.772 -0.713 258 HG2 LYS 38 HG2 LYS 38 -3.949 7.488 0.619 259 HG3 LYS 38 HG1 LYS 38 -2.854 8.302 1.732 260 HD2 LYS 38 HD2 LYS 38 -3.750 9.910 0.207 261 HD3 LYS 38 HD1 LYS 38 -2.041 9.682 -0.165 262 HE2 LYS 38 HE2 LYS 38 -2.643 8.191 -2.003 263 HE3 LYS 38 HE1 LYS 38 -4.351 8.396 -1.621 264 HZ1 LYS 38 HZ1 LYS 38 -2.512 10.562 -2.475 265 HZ2 LYS 38 HZ2 LYS 38 -4.163 10.733 -2.156 266 HZ3 LYS 38 HZ3 LYS 38 -3.648 9.795 -3.468 267 H CYS 39 HN CYS 39 -4.248 5.760 2.131 268 HA CYS 39 HA CYS 39 -5.229 3.722 0.261 269 HB2 CYS 39 HB2 CYS 39 -5.843 3.906 3.217 270 HB3 CYS 39 HB1 CYS 39 -6.580 2.764 2.094 271 H TYR 40 HN TYR 40 -7.146 4.045 -0.631 272 HA TYR 40 HA TYR 40 -8.596 6.476 0.127 273 HB2 TYR 40 HB2 TYR 40 -8.964 6.821 -2.368 274 HB3 TYR 40 HB1 TYR 40 -7.344 7.156 -1.772 275 HD1 TYR 40 HD1 TYR 40 -5.472 5.891 -2.537 276 HD2 TYR 40 HD2 TYR 40 -9.413 4.767 -3.663 277 HE1 TYR 40 HE1 TYR 40 -4.548 4.348 -4.213 278 HE2 TYR 40 HE2 TYR 40 -8.506 3.220 -5.336 279 HH TYR 40 HH TYR 40 -5.174 2.382 -5.443 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 4.788 -6.977 7.384 2 H2 GLY 1 HT2 GLY 1 3.636 -6.519 8.533 3 H3 GLY 1 HT3 GLY 1 5.257 -6.091 8.743 4 HA2 GLY 1 HA1 GLY 1 4.032 -4.181 8.005 5 HA3 GLY 1 HA2 GLY 1 5.158 -4.698 6.759 6 H PHE 2 HN PHE 2 3.458 -3.278 5.590 7 HA PHE 2 HA PHE 2 1.111 -4.846 4.881 8 HB2 PHE 2 HB2 PHE 2 1.645 -1.933 4.305 9 HB3 PHE 2 HB1 PHE 2 0.124 -2.789 4.074 10 HD1 PHE 2 HD1 PHE 2 -0.530 -4.149 6.385 11 HD2 PHE 2 HD2 PHE 2 1.632 -0.497 6.077 12 HE1 PHE 2 HE1 PHE 2 -1.207 -3.562 8.676 13 HE2 PHE 2 HE2 PHE 2 0.961 0.097 8.370 14 HZ PHE 2 HZ PHE 2 -0.459 -1.436 9.672 15 H GLY 3 HN GLY 3 3.823 -5.339 3.883 16 HA2 GLY 3 HA2 GLY 3 4.809 -5.960 1.916 17 HA3 GLY 3 HA1 GLY 3 3.249 -5.722 1.141 18 H CYS 4 HN CYS 4 5.004 -3.258 2.902 19 HA CYS 4 HA CYS 4 5.469 -1.872 0.354 20 HB2 CYS 4 HB2 CYS 4 3.599 -0.918 1.728 21 HB3 CYS 4 HB1 CYS 4 4.775 -0.553 2.978 22 H ASN 5 HN ASN 5 6.418 -0.689 3.517 23 HA ASN 5 HA ASN 5 8.405 -0.339 4.526 24 HB2 ASN 5 HB2 ASN 5 8.918 -2.919 3.092 25 HB3 ASN 5 HB1 ASN 5 10.098 -2.217 4.196 26 HD21 ASN 5 HD21 ASN 5 8.498 -4.723 4.288 27 HD22 ASN 5 HD22 ASN 5 7.669 -4.674 5.802 28 H GLY 6 HN GLY 6 7.998 0.703 1.677 29 HA2 GLY 6 HA2 GLY 6 9.504 2.497 1.000 30 HA3 GLY 6 HA1 GLY 6 10.844 1.409 1.315 31 HA PRO 7 HA PRO 7 9.104 1.603 -3.195 32 HB2 PRO 7 HB2 PRO 7 11.365 2.737 -4.301 33 HB3 PRO 7 HB1 PRO 7 9.903 3.610 -3.851 34 HG2 PRO 7 HG2 PRO 7 12.479 3.348 -2.390 35 HG3 PRO 7 HG1 PRO 7 11.392 4.742 -2.510 36 HD2 PRO 7 HD2 PRO 7 11.508 3.181 -0.310 37 HD3 PRO 7 HD1 PRO 7 10.003 3.956 -0.841 38 H TRP 8 HN TRP 8 12.133 0.693 -1.782 39 HA TRP 8 HA TRP 8 13.108 -0.867 -3.956 40 HB2 TRP 8 HB2 TRP 8 14.790 -1.645 -2.388 41 HB3 TRP 8 HB1 TRP 8 14.556 0.088 -2.175 42 HD1 TRP 8 HD1 TRP 8 12.813 0.719 -0.028 43 HE1 TRP 8 HE1 TRP 8 12.722 -0.368 2.302 44 HE3 TRP 8 HE3 TRP 8 15.185 -3.675 -1.099 45 HZ2 TRP 8 HZ2 TRP 8 13.552 -2.770 3.521 46 HZ3 TRP 8 HZ3 TRP 8 15.493 -5.317 0.703 47 HH2 TRP 8 HH2 TRP 8 14.693 -4.873 2.967 48 H ASN 9 HN ASN 9 10.641 -1.426 -1.701 49 HA ASN 9 HA ASN 9 10.839 -4.334 -2.087 50 HB2 ASN 9 HB2 ASN 9 11.816 -3.882 0.067 51 HB3 ASN 9 HB1 ASN 9 10.455 -2.863 0.526 52 HD21 ASN 9 HD21 ASN 9 8.550 -3.814 1.199 53 HD22 ASN 9 HD22 ASN 9 8.433 -5.501 1.577 54 H GLU 10 HN GLU 10 8.880 -1.537 -1.969 55 HA GLU 10 HA GLU 10 6.500 -2.599 -0.987 56 HB2 GLU 10 HB2 GLU 10 5.413 -0.632 -2.164 57 HB3 GLU 10 HB1 GLU 10 6.651 -0.270 -0.976 58 HG2 GLU 10 HG2 GLU 10 7.167 1.179 -2.670 59 HG3 GLU 10 HG1 GLU 10 8.238 -0.176 -3.013 60 H ASP 11 HN ASP 11 4.678 -3.353 -1.833 61 HA ASP 11 HA ASP 11 4.621 -3.977 -4.704 62 HB2 ASP 11 HB2 ASP 11 5.145 -6.057 -3.598 63 HB3 ASP 11 HB1 ASP 11 3.882 -5.795 -2.398 64 H ASP 12 HN ASP 12 2.774 -3.467 -5.684 65 HA ASP 12 HA ASP 12 1.004 -1.704 -4.362 66 HB2 ASP 12 HB2 ASP 12 0.917 -2.953 -7.107 67 HB3 ASP 12 HB1 ASP 12 -0.283 -1.797 -6.543 68 H LEU 13 HN LEU 13 0.909 -5.128 -4.879 69 HA LEU 13 HA LEU 13 -1.942 -5.353 -4.791 70 HB2 LEU 13 HB2 LEU 13 0.101 -6.963 -5.611 71 HB3 LEU 13 HB1 LEU 13 -0.329 -7.699 -4.089 72 HG LEU 13 HG LEU 13 -1.541 -8.845 -5.793 73 HD11 LEU 13 HD11 LEU 13 -3.446 -6.913 -4.506 74 HD12 LEU 13 HD12 LEU 13 -2.794 -8.361 -3.748 75 HD13 LEU 13 HD13 LEU 13 -3.833 -8.502 -5.165 76 HD21 LEU 13 HD21 LEU 13 -1.340 -7.144 -7.542 77 HD22 LEU 13 HD22 LEU 13 -2.539 -6.153 -6.709 78 HD23 LEU 13 HD23 LEU 13 -3.001 -7.716 -7.381 79 H ARG 14 HN ARG 14 0.710 -6.027 -2.500 80 HA ARG 14 HA ARG 14 -0.911 -6.866 -0.363 81 HB2 ARG 14 HB2 ARG 14 1.844 -5.702 -0.484 82 HB3 ARG 14 HB1 ARG 14 1.057 -5.888 1.066 83 HG2 ARG 14 HG2 ARG 14 2.377 -7.783 0.776 84 HG3 ARG 14 HG1 ARG 14 0.721 -8.303 0.469 85 HD2 ARG 14 HD2 ARG 14 1.085 -8.615 -1.755 86 HD3 ARG 14 HD1 ARG 14 2.340 -7.375 -1.834 87 HE ARG 14 HE ARG 14 3.261 -9.438 -0.225 88 HH11 ARG 14 HH11 ARG 14 2.482 -8.811 -3.569 89 HH12 ARG 14 HH12 ARG 14 3.559 -10.024 -4.191 90 HH21 ARG 14 HH21 ARG 14 4.721 -11.024 -1.034 91 HH22 ARG 14 HH22 ARG 14 4.842 -11.275 -2.747 92 H CYS 15 HN CYS 15 0.347 -3.617 -1.075 93 HA CYS 15 HA CYS 15 -0.905 -2.304 1.064 94 HB2 CYS 15 HB2 CYS 15 0.894 -1.338 -0.376 95 HB3 CYS 15 HB1 CYS 15 -0.283 -1.158 -1.670 96 H HIS 16 HN HIS 16 -2.011 -2.909 -2.259 97 HA HIS 16 HA HIS 16 -4.512 -1.683 -2.120 98 HB2 HIS 16 HB2 HIS 16 -3.697 -2.429 -4.239 99 HB3 HIS 16 HB1 HIS 16 -3.530 -4.080 -3.670 100 HD1 HIS 16 HD1 HIS 16 -6.218 -1.580 -4.593 101 HD2 HIS 16 HD2 HIS 16 -5.690 -5.674 -4.134 102 HE1 HIS 16 HE1 HIS 16 -8.367 -2.628 -5.366 103 HE2 HIS 16 HE2 HIS 16 -7.920 -5.103 -5.306 104 H ASN 17 HN ASN 17 -3.622 -5.047 -1.375 105 HA ASN 17 HA ASN 17 -6.193 -5.936 -0.714 106 HB2 ASN 17 HB2 ASN 17 -3.446 -6.910 0.028 107 HB3 ASN 17 HB1 ASN 17 -4.895 -7.707 0.618 108 HD21 ASN 17 HD21 ASN 17 -2.912 -8.865 -1.046 109 HD22 ASN 17 HD22 ASN 17 -3.669 -9.281 -2.545 110 H HIS 18 HN HIS 18 -3.595 -4.664 1.330 111 HA HIS 18 HA HIS 18 -4.870 -4.925 3.798 112 HB2 HIS 18 HB2 HIS 18 -2.555 -4.346 3.777 113 HB3 HIS 18 HB1 HIS 18 -2.849 -2.915 2.798 114 HD1 HIS 18 HD1 HIS 18 -4.040 -4.146 6.212 115 HD2 HIS 18 HD2 HIS 18 -2.715 -0.698 4.306 116 HE1 HIS 18 HE1 HIS 18 -4.086 -2.345 7.963 117 HE2 HIS 18 HE2 HIS 18 -3.118 -0.317 6.830 118 H CYS 19 HN CYS 19 -4.901 -2.209 1.517 119 HA CYS 19 HA CYS 19 -6.465 -0.554 3.191 120 HB2 CYS 19 HB2 CYS 19 -5.852 -0.405 0.245 121 HB3 CYS 19 HB1 CYS 19 -6.691 0.858 1.144 122 H LYS 20 HN LYS 20 -7.343 -2.732 0.508 123 HA LYS 20 HA LYS 20 -10.064 -1.840 0.511 124 HB2 LYS 20 HB2 LYS 20 -10.536 -3.630 -1.026 125 HB3 LYS 20 HB1 LYS 20 -9.022 -2.869 -1.487 126 HG2 LYS 20 HG2 LYS 20 -7.755 -4.690 -0.799 127 HG3 LYS 20 HG1 LYS 20 -9.057 -5.342 0.199 128 HD2 LYS 20 HD2 LYS 20 -10.355 -5.742 -1.901 129 HD3 LYS 20 HD1 LYS 20 -8.926 -5.259 -2.815 130 HE2 LYS 20 HE2 LYS 20 -7.668 -7.092 -1.972 131 HE3 LYS 20 HE1 LYS 20 -8.910 -7.479 -0.786 132 HZ1 LYS 20 HZ1 LYS 20 -10.397 -8.064 -2.610 133 HZ2 LYS 20 HZ2 LYS 20 -8.991 -9.003 -2.632 134 HZ3 LYS 20 HZ3 LYS 20 -9.173 -7.733 -3.727 135 H SER 21 HN SER 21 -8.296 -3.864 2.568 136 HA SER 21 HA SER 21 -10.549 -5.431 3.467 137 HB2 SER 21 HB2 SER 21 -7.818 -5.012 4.712 138 HB3 SER 21 HB1 SER 21 -9.017 -6.183 5.262 139 HG SER 21 HG SER 21 -7.749 -6.116 2.712 140 H ILE 22 HN ILE 22 -9.477 -2.294 3.866 141 HA ILE 22 HA ILE 22 -10.787 -1.940 6.461 142 HB ILE 22 HB ILE 22 -9.225 0.061 4.812 143 HG12 ILE 22 HG12 ILE 22 -8.343 -1.475 7.266 144 HG13 ILE 22 HG11 ILE 22 -7.840 -1.844 5.620 145 HG21 ILE 22 HG21 ILE 22 -10.198 0.177 7.663 146 HG22 ILE 22 HG22 ILE 22 -10.825 1.112 6.307 147 HG23 ILE 22 HG23 ILE 22 -9.180 1.384 6.878 148 HD11 ILE 22 HD11 ILE 22 -7.274 0.710 7.109 149 HD12 ILE 22 HD12 ILE 22 -6.767 0.342 5.460 150 HD13 ILE 22 HD13 ILE 22 -6.129 -0.600 6.809 151 H LYS 23 HN LYS 23 -12.864 -1.282 6.480 152 HA LYS 23 HA LYS 23 -14.272 -0.833 4.092 153 HB2 LYS 23 HB2 LYS 23 -15.486 -1.737 5.889 154 HB3 LYS 23 HB1 LYS 23 -14.994 -0.459 6.988 155 HG2 LYS 23 HG2 LYS 23 -16.347 1.126 5.790 156 HG3 LYS 23 HG1 LYS 23 -16.792 -0.096 4.603 157 HD2 LYS 23 HD2 LYS 23 -17.361 -0.517 7.516 158 HD3 LYS 23 HD1 LYS 23 -18.440 0.464 6.527 159 HE2 LYS 23 HE2 LYS 23 -19.324 -1.742 6.552 160 HE3 LYS 23 HE1 LYS 23 -18.632 -1.479 4.958 161 HZ1 LYS 23 HZ1 LYS 23 -16.757 -2.804 5.523 162 HZ2 LYS 23 HZ2 LYS 23 -18.133 -3.679 5.960 163 HZ3 LYS 23 HZ3 LYS 23 -17.220 -2.901 7.146 164 H GLY 24 HN GLY 24 -14.782 0.917 3.021 165 HA2 GLY 24 HA2 GLY 24 -15.187 3.300 2.875 166 HA3 GLY 24 HA1 GLY 24 -13.967 3.529 4.118 167 H TYR 25 HN TYR 25 -12.342 1.383 2.656 168 HA TYR 25 HA TYR 25 -11.298 3.158 0.543 169 HB2 TYR 25 HB2 TYR 25 -9.831 1.165 2.283 170 HB3 TYR 25 HB1 TYR 25 -9.108 2.020 0.927 171 HD1 TYR 25 HD1 TYR 25 -9.466 2.015 4.389 172 HD2 TYR 25 HD2 TYR 25 -9.412 4.680 1.074 173 HE1 TYR 25 HE1 TYR 25 -8.815 3.852 5.884 174 HE2 TYR 25 HE2 TYR 25 -8.763 6.525 2.563 175 HH TYR 25 HH TYR 25 -7.725 6.001 5.789 176 H LYS 26 HN LYS 26 -10.320 2.084 -1.318 177 HA LYS 26 HA LYS 26 -11.392 -0.624 -1.752 178 HB2 LYS 26 HB2 LYS 26 -11.757 0.008 -4.162 179 HB3 LYS 26 HB1 LYS 26 -12.867 0.725 -3.010 180 HG2 LYS 26 HG2 LYS 26 -10.455 2.237 -3.921 181 HG3 LYS 26 HG1 LYS 26 -11.895 2.151 -4.937 182 HD2 LYS 26 HD2 LYS 26 -13.208 2.976 -2.955 183 HD3 LYS 26 HD1 LYS 26 -11.668 3.268 -2.147 184 HE2 LYS 26 HE2 LYS 26 -12.456 5.316 -3.151 185 HE3 LYS 26 HE1 LYS 26 -11.018 4.761 -3.999 186 HZ1 LYS 26 HZ1 LYS 26 -12.474 3.820 -5.714 187 HZ2 LYS 26 HZ2 LYS 26 -12.665 5.491 -5.564 188 HZ3 LYS 26 HZ3 LYS 26 -13.824 4.447 -4.912 189 H GLY 27 HN GLY 27 -8.722 1.525 -2.033 190 HA2 GLY 27 HA2 GLY 27 -7.081 -0.716 -2.899 191 HA3 GLY 27 HA1 GLY 27 -7.143 0.638 -4.018 192 H GLY 28 HN GLY 28 -4.718 0.232 -3.329 193 HA2 GLY 28 HA2 GLY 28 -4.062 2.440 -1.591 194 HA3 GLY 28 HA1 GLY 28 -3.600 0.870 -0.954 195 H TYR 29 HN TYR 29 -1.915 3.094 -1.700 196 HA TYR 29 HA TYR 29 -0.038 1.590 -3.319 197 HB2 TYR 29 HB2 TYR 29 0.479 3.617 -4.734 198 HB3 TYR 29 HB1 TYR 29 -1.053 2.836 -5.087 199 HD1 TYR 29 HD1 TYR 29 -3.027 4.071 -5.099 200 HD2 TYR 29 HD2 TYR 29 0.422 5.723 -3.246 201 HE1 TYR 29 HE1 TYR 29 -4.195 6.218 -4.858 202 HE2 TYR 29 HE2 TYR 29 -0.738 7.878 -2.997 203 HH TYR 29 HH TYR 29 -4.133 8.216 -3.623 204 H CYS 30 HN CYS 30 2.115 2.139 -2.900 205 HA CYS 30 HA CYS 30 2.532 3.530 -0.420 206 HB2 CYS 30 HB2 CYS 30 4.495 2.248 -2.327 207 HB3 CYS 30 HB1 CYS 30 4.926 2.948 -0.773 208 H ALA 31 HN ALA 31 2.282 5.637 -0.521 209 HA ALA 31 HA ALA 31 3.601 7.149 -2.664 210 HB1 ALA 31 HB1 ALA 31 1.197 7.535 -2.420 211 HB2 ALA 31 HB2 ALA 31 2.119 8.989 -2.045 212 HB3 ALA 31 HB3 ALA 31 1.442 8.013 -0.741 213 H LYS 32 HN LYS 32 3.822 9.585 -1.462 214 HA LYS 32 HA LYS 32 5.308 10.839 -0.309 215 HB2 LYS 32 HB2 LYS 32 4.533 8.871 1.837 216 HB3 LYS 32 HB1 LYS 32 5.404 10.368 2.140 217 HG2 LYS 32 HG2 LYS 32 2.616 10.102 1.030 218 HG3 LYS 32 HG1 LYS 32 3.056 10.632 2.655 219 HD2 LYS 32 HD2 LYS 32 4.267 12.547 1.641 220 HD3 LYS 32 HD1 LYS 32 3.677 12.038 0.060 221 HE2 LYS 32 HE2 LYS 32 1.373 12.316 0.837 222 HE3 LYS 32 HE1 LYS 32 1.969 12.839 2.412 223 HZ1 LYS 32 HZ1 LYS 32 3.101 14.689 1.258 224 HZ2 LYS 32 HZ2 LYS 32 1.418 14.747 1.124 225 HZ3 LYS 32 HZ3 LYS 32 2.349 14.222 -0.185 226 H GLY 33 HN GLY 33 6.774 9.537 -1.910 227 HA2 GLY 33 HA2 GLY 33 9.074 9.093 -2.062 228 HA3 GLY 33 HA1 GLY 33 9.098 8.718 -0.344 229 H GLY 34 HN GLY 34 6.512 7.105 -1.228 230 HA2 GLY 34 HA2 GLY 34 6.116 4.992 -2.185 231 HA3 GLY 34 HA1 GLY 34 7.844 4.807 -2.442 232 H PHE 35 HN PHE 35 6.998 5.934 0.653 233 HA PHE 35 HA PHE 35 7.657 3.291 1.746 234 HB2 PHE 35 HB2 PHE 35 7.810 6.025 3.037 235 HB3 PHE 35 HB1 PHE 35 8.236 4.514 3.827 236 HD1 PHE 35 HD1 PHE 35 9.234 6.991 1.336 237 HD2 PHE 35 HD2 PHE 35 10.289 3.364 3.294 238 HE1 PHE 35 HE1 PHE 35 11.532 7.206 0.490 239 HE2 PHE 35 HE2 PHE 35 12.588 3.577 2.452 240 HZ PHE 35 HZ PHE 35 13.226 5.513 1.087 241 H VAL 36 HN VAL 36 5.166 5.689 1.622 242 HA VAL 36 HA VAL 36 3.824 4.538 3.960 243 HB VAL 36 HB VAL 36 3.134 7.052 2.431 244 HG11 VAL 36 HG11 VAL 36 1.749 7.591 4.375 245 HG12 VAL 36 HG12 VAL 36 2.163 6.040 5.103 246 HG13 VAL 36 HG13 VAL 36 1.226 6.091 3.610 247 HG21 VAL 36 HG21 VAL 36 5.318 7.242 3.489 248 HG22 VAL 36 HG22 VAL 36 4.631 6.721 5.028 249 HG23 VAL 36 HG23 VAL 36 4.133 8.255 4.314 250 H CYS 37 HN CYS 37 2.544 2.876 3.472 251 HA CYS 37 HA CYS 37 1.178 2.532 1.004 252 HB2 CYS 37 HB2 CYS 37 1.699 0.622 2.430 253 HB3 CYS 37 HB1 CYS 37 0.730 1.292 3.734 254 H LYS 38 HN LYS 38 -0.068 4.274 0.469 255 HA LYS 38 HA LYS 38 -1.944 5.330 2.447 256 HB2 LYS 38 HB2 LYS 38 -0.391 6.722 0.878 257 HB3 LYS 38 HB1 LYS 38 -1.633 6.441 -0.321 258 HG2 LYS 38 HG2 LYS 38 -2.165 7.684 2.368 259 HG3 LYS 38 HG1 LYS 38 -1.762 8.619 0.934 260 HD2 LYS 38 HD2 LYS 38 -4.095 6.720 1.072 261 HD3 LYS 38 HD1 LYS 38 -4.218 8.433 1.471 262 HE2 LYS 38 HE2 LYS 38 -3.277 7.342 -1.181 263 HE3 LYS 38 HE1 LYS 38 -4.918 7.890 -0.848 264 HZ1 LYS 38 HZ1 LYS 38 -3.595 9.598 -1.940 265 HZ2 LYS 38 HZ2 LYS 38 -2.479 9.574 -0.673 266 HZ3 LYS 38 HZ3 LYS 38 -4.060 10.096 -0.393 267 H CYS 39 HN CYS 39 -4.052 5.154 2.270 268 HA CYS 39 HA CYS 39 -5.017 3.166 0.343 269 HB2 CYS 39 HB2 CYS 39 -6.205 4.067 2.974 270 HB3 CYS 39 HB1 CYS 39 -6.824 2.769 1.958 271 H TYR 40 HN TYR 40 -6.740 3.548 -0.984 272 HA TYR 40 HA TYR 40 -8.047 6.159 -0.711 273 HB2 TYR 40 HB2 TYR 40 -8.252 6.314 -3.156 274 HB3 TYR 40 HB1 TYR 40 -6.577 6.298 -2.635 275 HD1 TYR 40 HD1 TYR 40 -5.078 4.625 -3.404 276 HD2 TYR 40 HD2 TYR 40 -9.233 4.291 -4.234 277 HE1 TYR 40 HE1 TYR 40 -4.610 2.850 -5.037 278 HE2 TYR 40 HE2 TYR 40 -8.775 2.518 -5.856 279 HH TYR 40 HH TYR 40 -6.929 1.747 -7.260 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 5.864 -0.718 7.362 2 H2 GLY 1 HT2 GLY 1 4.181 -0.591 7.262 3 H3 GLY 1 HT3 GLY 1 5.143 -0.064 5.978 4 HA2 GLY 1 HA1 GLY 1 5.883 -2.315 5.560 5 HA3 GLY 1 HA2 GLY 1 4.904 -2.870 6.904 6 H PHE 2 HN PHE 2 3.118 -3.804 6.299 7 HA PHE 2 HA PHE 2 1.310 -4.471 5.109 8 HB2 PHE 2 HB2 PHE 2 1.208 -1.561 4.288 9 HB3 PHE 2 HB1 PHE 2 -0.103 -2.721 4.106 10 HD1 PHE 2 HD1 PHE 2 -0.414 -4.079 6.513 11 HD2 PHE 2 HD2 PHE 2 0.824 -0.047 5.956 12 HE1 PHE 2 HE1 PHE 2 -1.224 -3.522 8.766 13 HE2 PHE 2 HE2 PHE 2 0.015 0.518 8.209 14 HZ PHE 2 HZ PHE 2 -1.000 -1.212 9.619 15 H GLY 3 HN GLY 3 3.795 -4.872 3.903 16 HA2 GLY 3 HA2 GLY 3 4.215 -5.931 1.829 17 HA3 GLY 3 HA1 GLY 3 2.972 -4.933 1.096 18 H CYS 4 HN CYS 4 4.092 -2.502 2.410 19 HA CYS 4 HA CYS 4 6.111 -2.033 0.362 20 HB2 CYS 4 HB2 CYS 4 4.219 -0.460 0.519 21 HB3 CYS 4 HB1 CYS 4 4.698 -0.064 2.167 22 H ASN 5 HN ASN 5 8.147 -2.352 0.894 23 HA ASN 5 HA ASN 5 9.057 -1.396 3.524 24 HB2 ASN 5 HB2 ASN 5 9.832 -3.986 2.169 25 HB3 ASN 5 HB1 ASN 5 10.711 -3.298 3.529 26 HD21 ASN 5 HD21 ASN 5 7.894 -4.994 2.508 27 HD22 ASN 5 HD22 ASN 5 7.263 -5.320 4.086 28 H GLY 6 HN GLY 6 9.086 0.011 1.079 29 HA2 GLY 6 HA2 GLY 6 11.321 1.400 1.074 30 HA3 GLY 6 HA1 GLY 6 11.875 -0.024 0.216 31 HA PRO 7 HA PRO 7 9.829 3.021 -2.726 32 HB2 PRO 7 HB2 PRO 7 12.023 4.029 -3.907 33 HB3 PRO 7 HB1 PRO 7 11.394 4.690 -2.396 34 HG2 PRO 7 HG2 PRO 7 13.664 2.785 -2.818 35 HG3 PRO 7 HG1 PRO 7 13.577 4.195 -1.753 36 HD2 PRO 7 HD2 PRO 7 13.221 1.654 -0.879 37 HD3 PRO 7 HD1 PRO 7 12.457 3.062 -0.120 38 H TRP 8 HN TRP 8 12.220 0.572 -2.839 39 HA TRP 8 HA TRP 8 11.477 -0.091 -5.614 40 HB2 TRP 8 HB2 TRP 8 13.627 -1.113 -5.909 41 HB3 TRP 8 HB1 TRP 8 13.904 0.481 -5.217 42 HD1 TRP 8 HD1 TRP 8 13.984 0.227 -2.261 43 HE1 TRP 8 HE1 TRP 8 15.517 -1.395 -0.984 44 HE3 TRP 8 HE3 TRP 8 14.915 -3.122 -6.009 45 HZ2 TRP 8 HZ2 TRP 8 16.934 -3.781 -1.501 46 HZ3 TRP 8 HZ3 TRP 8 16.373 -5.046 -5.535 47 HH2 TRP 8 HH2 TRP 8 17.362 -5.366 -3.326 48 H ASN 9 HN ASN 9 10.617 -0.786 -2.670 49 HA ASN 9 HA ASN 9 10.129 -3.615 -3.213 50 HB2 ASN 9 HB2 ASN 9 12.149 -3.476 -1.760 51 HB3 ASN 9 HB1 ASN 9 11.209 -2.587 -0.569 52 HD21 ASN 9 HD21 ASN 9 11.640 -4.182 0.978 53 HD22 ASN 9 HD22 ASN 9 10.837 -5.714 0.962 54 H GLU 10 HN GLU 10 8.400 -1.635 -3.656 55 HA GLU 10 HA GLU 10 6.622 -1.501 -1.336 56 HB2 GLU 10 HB2 GLU 10 5.597 0.099 -3.393 57 HB3 GLU 10 HB1 GLU 10 6.384 0.639 -1.919 58 HG2 GLU 10 HG2 GLU 10 7.492 1.719 -3.680 59 HG3 GLU 10 HG1 GLU 10 8.574 0.421 -3.162 60 H ASP 11 HN ASP 11 5.604 -3.464 -1.435 61 HA ASP 11 HA ASP 11 4.504 -4.553 -3.811 62 HB2 ASP 11 HB2 ASP 11 4.179 -5.144 -0.892 63 HB3 ASP 11 HB1 ASP 11 3.104 -5.892 -2.065 64 H ASP 12 HN ASP 12 3.188 -3.205 -4.869 65 HA ASP 12 HA ASP 12 1.250 -1.504 -3.822 66 HB2 ASP 12 HB2 ASP 12 1.252 -2.929 -6.494 67 HB3 ASP 12 HB1 ASP 12 0.221 -1.567 -6.078 68 H LEU 13 HN LEU 13 1.060 -4.908 -4.712 69 HA LEU 13 HA LEU 13 -1.755 -5.102 -4.629 70 HB2 LEU 13 HB2 LEU 13 0.270 -6.678 -5.489 71 HB3 LEU 13 HB1 LEU 13 -0.162 -7.494 -4.009 72 HG LEU 13 HG LEU 13 -1.380 -8.573 -5.725 73 HD11 LEU 13 HD11 LEU 13 -3.694 -8.169 -5.168 74 HD12 LEU 13 HD12 LEU 13 -3.273 -6.617 -4.449 75 HD13 LEU 13 HD13 LEU 13 -2.694 -8.112 -3.718 76 HD21 LEU 13 HD21 LEU 13 -1.091 -6.848 -7.441 77 HD22 LEU 13 HD22 LEU 13 -2.314 -5.860 -6.644 78 HD23 LEU 13 HD23 LEU 13 -2.757 -7.411 -7.349 79 H ARG 14 HN ARG 14 0.773 -5.977 -2.275 80 HA ARG 14 HA ARG 14 -0.883 -6.909 -0.235 81 HB2 ARG 14 HB2 ARG 14 1.839 -5.736 -0.339 82 HB3 ARG 14 HB1 ARG 14 1.046 -5.733 1.223 83 HG2 ARG 14 HG2 ARG 14 2.259 -7.691 1.260 84 HG3 ARG 14 HG1 ARG 14 0.654 -8.237 0.788 85 HD2 ARG 14 HD2 ARG 14 2.654 -7.559 -1.316 86 HD3 ARG 14 HD1 ARG 14 2.778 -9.094 -0.469 87 HE ARG 14 HE ARG 14 0.205 -9.072 -1.255 88 HH11 ARG 14 HH11 ARG 14 3.195 -8.418 -2.976 89 HH12 ARG 14 HH12 ARG 14 2.624 -9.103 -4.471 90 HH21 ARG 14 HH21 ARG 14 -0.530 -9.994 -3.236 91 HH22 ARG 14 HH22 ARG 14 0.527 -9.996 -4.612 92 H CYS 15 HN CYS 15 0.166 -3.591 -0.935 93 HA CYS 15 HA CYS 15 -1.170 -2.387 1.252 94 HB2 CYS 15 HB2 CYS 15 0.660 -1.313 -0.070 95 HB3 CYS 15 HB1 CYS 15 -0.461 -1.132 -1.412 96 H HIS 16 HN HIS 16 -2.100 -2.970 -2.120 97 HA HIS 16 HA HIS 16 -4.656 -1.876 -2.120 98 HB2 HIS 16 HB2 HIS 16 -3.783 -2.672 -4.186 99 HB3 HIS 16 HB1 HIS 16 -3.488 -4.276 -3.534 100 HD1 HIS 16 HD1 HIS 16 -6.417 -2.055 -4.509 101 HD2 HIS 16 HD2 HIS 16 -5.471 -6.072 -4.021 102 HE1 HIS 16 HE1 HIS 16 -8.470 -3.324 -5.202 103 HE2 HIS 16 HE2 HIS 16 -7.812 -5.748 -5.074 104 H ASN 17 HN ASN 17 -3.661 -5.171 -1.248 105 HA ASN 17 HA ASN 17 -6.212 -6.120 -0.584 106 HB2 ASN 17 HB2 ASN 17 -3.441 -7.005 0.197 107 HB3 ASN 17 HB1 ASN 17 -4.879 -7.867 0.713 108 HD21 ASN 17 HD21 ASN 17 -2.711 -8.773 -0.991 109 HD22 ASN 17 HD22 ASN 17 -3.424 -9.220 -2.503 110 H HIS 18 HN HIS 18 -3.726 -4.552 1.363 111 HA HIS 18 HA HIS 18 -5.000 -4.843 3.856 112 HB2 HIS 18 HB2 HIS 18 -2.701 -4.206 3.849 113 HB3 HIS 18 HB1 HIS 18 -3.017 -2.815 2.821 114 HD1 HIS 18 HD1 HIS 18 -4.119 -3.974 6.297 115 HD2 HIS 18 HD2 HIS 18 -3.051 -0.529 4.229 116 HE1 HIS 18 HE1 HIS 18 -4.235 -2.110 7.981 117 HE2 HIS 18 HE2 HIS 18 -3.540 -0.041 6.723 118 H CYS 19 HN CYS 19 -5.100 -2.185 1.491 119 HA CYS 19 HA CYS 19 -6.764 -0.597 3.169 120 HB2 CYS 19 HB2 CYS 19 -5.886 -0.321 0.312 121 HB3 CYS 19 HB1 CYS 19 -6.977 0.831 1.077 122 H LYS 20 HN LYS 20 -7.466 -2.938 0.635 123 HA LYS 20 HA LYS 20 -10.187 -2.050 0.362 124 HB2 LYS 20 HB2 LYS 20 -10.581 -4.016 -0.972 125 HB3 LYS 20 HB1 LYS 20 -9.044 -3.310 -1.447 126 HG2 LYS 20 HG2 LYS 20 -7.819 -5.016 -0.413 127 HG3 LYS 20 HG1 LYS 20 -9.219 -5.584 0.501 128 HD2 LYS 20 HD2 LYS 20 -10.288 -6.201 -1.667 129 HD3 LYS 20 HD1 LYS 20 -8.778 -5.781 -2.477 130 HE2 LYS 20 HE2 LYS 20 -8.961 -8.193 -2.077 131 HE3 LYS 20 HE1 LYS 20 -7.599 -7.488 -1.210 132 HZ1 LYS 20 HZ1 LYS 20 -8.874 -7.524 0.815 133 HZ2 LYS 20 HZ2 LYS 20 -8.886 -9.070 0.138 134 HZ3 LYS 20 HZ3 LYS 20 -10.247 -8.080 0.003 135 H SER 21 HN SER 21 -8.504 -3.753 2.711 136 HA SER 21 HA SER 21 -10.797 -5.194 3.724 137 HB2 SER 21 HB2 SER 21 -8.060 -4.716 4.931 138 HB3 SER 21 HB1 SER 21 -9.287 -5.796 5.591 139 HG SER 21 HG SER 21 -7.712 -6.071 3.280 140 H ILE 22 HN ILE 22 -9.519 -2.064 3.878 141 HA ILE 22 HA ILE 22 -10.825 -1.383 6.389 142 HB ILE 22 HB ILE 22 -9.399 0.454 4.454 143 HG12 ILE 22 HG12 ILE 22 -8.293 -0.840 6.956 144 HG13 ILE 22 HG11 ILE 22 -7.899 -1.337 5.313 145 HG21 ILE 22 HG21 ILE 22 -10.148 0.792 7.357 146 HG22 ILE 22 HG22 ILE 22 -10.919 1.586 5.982 147 HG23 ILE 22 HG23 ILE 22 -9.242 1.954 6.387 148 HD11 ILE 22 HD11 ILE 22 -6.168 0.077 6.311 149 HD12 ILE 22 HD12 ILE 22 -7.347 1.379 6.483 150 HD13 ILE 22 HD13 ILE 22 -6.885 0.814 4.878 151 H LYS 23 HN LYS 23 -12.827 -0.546 6.457 152 HA LYS 23 HA LYS 23 -14.430 -0.519 4.148 153 HB2 LYS 23 HB2 LYS 23 -15.499 -1.032 6.166 154 HB3 LYS 23 HB1 LYS 23 -14.878 0.398 6.975 155 HG2 LYS 23 HG2 LYS 23 -16.312 1.804 5.659 156 HG3 LYS 23 HG1 LYS 23 -16.874 0.423 4.721 157 HD2 LYS 23 HD2 LYS 23 -17.284 0.821 7.685 158 HD3 LYS 23 HD1 LYS 23 -18.499 1.094 6.438 159 HE2 LYS 23 HE2 LYS 23 -17.177 -1.540 7.091 160 HE3 LYS 23 HE1 LYS 23 -18.821 -1.070 7.514 161 HZ1 LYS 23 HZ1 LYS 23 -17.776 -1.368 4.749 162 HZ2 LYS 23 HZ2 LYS 23 -19.358 -0.948 5.169 163 HZ3 LYS 23 HZ3 LYS 23 -18.762 -2.481 5.552 164 H GLY 24 HN GLY 24 -14.979 1.002 2.796 165 HA2 GLY 24 HA2 GLY 24 -15.448 3.290 2.217 166 HA3 GLY 24 HA1 GLY 24 -14.241 3.792 3.392 167 H TYR 25 HN TYR 25 -12.544 1.473 2.252 168 HA TYR 25 HA TYR 25 -11.593 2.961 -0.106 169 HB2 TYR 25 HB2 TYR 25 -9.917 1.288 1.772 170 HB3 TYR 25 HB1 TYR 25 -9.334 2.253 0.423 171 HD1 TYR 25 HD1 TYR 25 -10.024 2.218 3.927 172 HD2 TYR 25 HD2 TYR 25 -9.700 4.783 0.555 173 HE1 TYR 25 HE1 TYR 25 -9.741 4.148 5.428 174 HE2 TYR 25 HE2 TYR 25 -9.417 6.718 2.036 175 HH TYR 25 HH TYR 25 -9.944 7.374 4.321 176 H LYS 26 HN LYS 26 -10.505 1.641 -1.745 177 HA LYS 26 HA LYS 26 -11.430 -1.149 -1.736 178 HB2 LYS 26 HB2 LYS 26 -11.747 -1.013 -4.173 179 HB3 LYS 26 HB1 LYS 26 -12.811 0.080 -3.305 180 HG2 LYS 26 HG2 LYS 26 -10.219 1.049 -4.441 181 HG3 LYS 26 HG1 LYS 26 -11.642 0.872 -5.464 182 HD2 LYS 26 HD2 LYS 26 -12.884 2.359 -3.922 183 HD3 LYS 26 HD1 LYS 26 -11.401 2.591 -2.995 184 HE2 LYS 26 HE2 LYS 26 -10.310 3.525 -4.973 185 HE3 LYS 26 HE1 LYS 26 -11.787 3.287 -5.904 186 HZ1 LYS 26 HZ1 LYS 26 -11.497 5.067 -3.544 187 HZ2 LYS 26 HZ2 LYS 26 -12.917 4.833 -4.430 188 HZ3 LYS 26 HZ3 LYS 26 -11.581 5.565 -5.158 189 H GLY 27 HN GLY 27 -8.792 0.653 -1.474 190 HA2 GLY 27 HA2 GLY 27 -6.923 -1.299 -1.834 191 HA3 GLY 27 HA1 GLY 27 -7.073 -0.558 -3.421 192 H GLY 28 HN GLY 28 -4.700 -0.163 -2.800 193 HA2 GLY 28 HA2 GLY 28 -4.416 2.545 -1.940 194 HA3 GLY 28 HA1 GLY 28 -3.856 1.412 -0.720 195 H TYR 29 HN TYR 29 -2.052 3.083 -1.571 196 HA TYR 29 HA TYR 29 -0.206 1.455 -3.131 197 HB2 TYR 29 HB2 TYR 29 0.406 3.534 -4.489 198 HB3 TYR 29 HB1 TYR 29 -1.107 2.747 -4.919 199 HD1 TYR 29 HD1 TYR 29 -3.106 3.963 -4.945 200 HD2 TYR 29 HD2 TYR 29 0.280 5.589 -2.948 201 HE1 TYR 29 HE1 TYR 29 -4.310 6.084 -4.638 202 HE2 TYR 29 HE2 TYR 29 -0.916 7.711 -2.632 203 HH TYR 29 HH TYR 29 -4.288 8.023 -3.240 204 H CYS 30 HN CYS 30 2.012 2.068 -2.738 205 HA CYS 30 HA CYS 30 2.318 3.327 -0.161 206 HB2 CYS 30 HB2 CYS 30 3.664 1.294 -1.076 207 HB3 CYS 30 HB1 CYS 30 4.632 2.521 -1.889 208 H ALA 31 HN ALA 31 2.743 5.361 0.183 209 HA ALA 31 HA ALA 31 3.863 7.019 -1.970 210 HB1 ALA 31 HB1 ALA 31 1.416 7.256 -1.984 211 HB2 ALA 31 HB2 ALA 31 2.213 8.753 -1.515 212 HB3 ALA 31 HB3 ALA 31 1.459 7.737 -0.289 213 H LYS 32 HN LYS 32 3.636 9.455 -0.532 214 HA LYS 32 HA LYS 32 4.871 10.745 0.868 215 HB2 LYS 32 HB2 LYS 32 4.213 8.417 2.655 216 HB3 LYS 32 HB1 LYS 32 5.134 9.789 3.243 217 HG2 LYS 32 HG2 LYS 32 2.878 10.108 3.897 218 HG3 LYS 32 HG1 LYS 32 3.205 11.250 2.596 219 HD2 LYS 32 HD2 LYS 32 1.982 9.969 1.034 220 HD3 LYS 32 HD1 LYS 32 1.937 8.569 2.104 221 HE2 LYS 32 HE2 LYS 32 -0.223 9.728 2.015 222 HE3 LYS 32 HE1 LYS 32 0.471 9.745 3.634 223 HZ1 LYS 32 HZ1 LYS 32 -0.487 11.883 2.989 224 HZ2 LYS 32 HZ2 LYS 32 0.608 12.000 1.706 225 HZ3 LYS 32 HZ3 LYS 32 1.170 12.008 3.301 226 H GLY 33 HN GLY 33 6.544 9.899 -0.841 227 HA2 GLY 33 HA2 GLY 33 8.874 9.714 -1.004 228 HA3 GLY 33 HA1 GLY 33 8.924 9.127 0.653 229 H GLY 34 HN GLY 34 6.588 7.322 -0.316 230 HA2 GLY 34 HA2 GLY 34 6.394 5.311 -1.540 231 HA3 GLY 34 HA1 GLY 34 8.125 5.364 -1.850 232 H PHE 35 HN PHE 35 6.508 5.740 1.272 233 HA PHE 35 HA PHE 35 7.517 3.104 2.058 234 HB2 PHE 35 HB2 PHE 35 7.962 5.646 3.645 235 HB3 PHE 35 HB1 PHE 35 8.349 4.024 4.205 236 HD1 PHE 35 HD1 PHE 35 9.371 6.805 2.118 237 HD2 PHE 35 HD2 PHE 35 10.193 2.771 3.187 238 HE1 PHE 35 HE1 PHE 35 11.604 6.995 1.106 239 HE2 PHE 35 HE2 PHE 35 12.428 2.955 2.181 240 HZ PHE 35 HZ PHE 35 13.138 5.083 1.145 241 H VAL 36 HN VAL 36 4.992 5.326 2.061 242 HA VAL 36 HA VAL 36 3.740 4.055 4.406 243 HB VAL 36 HB VAL 36 3.061 6.721 3.152 244 HG11 VAL 36 HG11 VAL 36 1.117 5.643 4.152 245 HG12 VAL 36 HG12 VAL 36 1.622 7.039 5.106 246 HG13 VAL 36 HG13 VAL 36 2.009 5.408 5.657 247 HG21 VAL 36 HG21 VAL 36 5.209 6.784 4.297 248 HG22 VAL 36 HG22 VAL 36 4.473 6.090 5.743 249 HG23 VAL 36 HG23 VAL 36 3.995 7.697 5.193 250 H CYS 37 HN CYS 37 2.356 2.512 3.846 251 HA CYS 37 HA CYS 37 1.049 2.287 1.349 252 HB2 CYS 37 HB2 CYS 37 1.370 0.335 2.749 253 HB3 CYS 37 HB1 CYS 37 0.438 1.062 4.050 254 H LYS 38 HN LYS 38 -0.314 3.792 0.633 255 HA LYS 38 HA LYS 38 -2.153 5.039 2.562 256 HB2 LYS 38 HB2 LYS 38 -0.367 6.453 1.429 257 HB3 LYS 38 HB1 LYS 38 -1.273 6.255 -0.048 258 HG2 LYS 38 HG2 LYS 38 -2.656 7.293 2.347 259 HG3 LYS 38 HG1 LYS 38 -1.597 8.354 1.414 260 HD2 LYS 38 HD2 LYS 38 -2.854 7.701 -0.630 261 HD3 LYS 38 HD1 LYS 38 -3.977 6.811 0.403 262 HE2 LYS 38 HE2 LYS 38 -4.386 8.915 1.637 263 HE3 LYS 38 HE1 LYS 38 -3.388 9.741 0.448 264 HZ1 LYS 38 HZ1 LYS 38 -5.809 9.881 0.005 265 HZ2 LYS 38 HZ2 LYS 38 -5.838 8.203 -0.239 266 HZ3 LYS 38 HZ3 LYS 38 -4.930 9.199 -1.265 267 H CYS 39 HN CYS 39 -4.231 4.987 2.184 268 HA CYS 39 HA CYS 39 -5.157 3.208 0.071 269 HB2 CYS 39 HB2 CYS 39 -6.759 4.454 2.311 270 HB3 CYS 39 HB1 CYS 39 -7.198 3.058 1.333 271 H TYR 40 HN TYR 40 -6.949 3.780 -1.327 272 HA TYR 40 HA TYR 40 -6.583 6.135 -2.710 273 HB2 TYR 40 HB2 TYR 40 -9.091 4.471 -2.514 274 HB3 TYR 40 HB1 TYR 40 -8.857 5.761 -3.683 275 HD1 TYR 40 HD1 TYR 40 -6.410 5.465 -4.899 276 HD2 TYR 40 HD2 TYR 40 -8.885 2.353 -3.399 277 HE1 TYR 40 HE1 TYR 40 -5.334 3.887 -6.434 278 HE2 TYR 40 HE2 TYR 40 -7.817 0.756 -4.940 279 HH TYR 40 HH TYR 40 -4.952 1.509 -6.656 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 6.360 0.236 5.328 2 H2 GLY 1 HT2 GLY 1 6.099 -1.066 4.285 3 H3 GLY 1 HT3 GLY 1 6.376 -1.346 5.931 4 HA2 GLY 1 HA1 GLY 1 4.308 -0.170 6.467 5 HA3 GLY 1 HA2 GLY 1 4.017 0.006 4.743 6 H PHE 2 HN PHE 2 2.066 -1.160 4.892 7 HA PHE 2 HA PHE 2 1.993 -3.793 5.991 8 HB2 PHE 2 HB2 PHE 2 -0.020 -2.278 4.330 9 HB3 PHE 2 HB1 PHE 2 -0.321 -3.858 5.042 10 HD1 PHE 2 HD1 PHE 2 -0.334 -4.086 7.534 11 HD2 PHE 2 HD2 PHE 2 -0.231 -0.308 5.582 12 HE1 PHE 2 HE1 PHE 2 -1.085 -2.992 9.609 13 HE2 PHE 2 HE2 PHE 2 -0.978 0.787 7.650 14 HZ PHE 2 HZ PHE 2 -1.429 -0.578 9.671 15 H GLY 3 HN GLY 3 3.176 -2.638 3.161 16 HA2 GLY 3 HA2 GLY 3 3.418 -5.258 2.016 17 HA3 GLY 3 HA1 GLY 3 2.362 -4.195 1.089 18 H CYS 4 HN CYS 4 3.405 -1.874 0.945 19 HA CYS 4 HA CYS 4 5.857 -2.104 -0.465 20 HB2 CYS 4 HB2 CYS 4 4.585 0.407 0.646 21 HB3 CYS 4 HB1 CYS 4 5.743 0.303 -0.678 22 H ASN 5 HN ASN 5 7.855 -2.156 0.327 23 HA ASN 5 HA ASN 5 8.236 -1.463 3.162 24 HB2 ASN 5 HB2 ASN 5 9.788 -3.247 1.285 25 HB3 ASN 5 HB1 ASN 5 10.442 -2.729 2.831 26 HD21 ASN 5 HD21 ASN 5 7.056 -3.478 2.273 27 HD22 ASN 5 HD22 ASN 5 7.021 -4.898 3.258 28 H GLY 6 HN GLY 6 8.430 -0.005 0.317 29 HA2 GLY 6 HA2 GLY 6 9.517 2.264 0.500 30 HA3 GLY 6 HA1 GLY 6 10.978 1.363 0.870 31 HA PRO 7 HA PRO 7 10.509 2.335 -3.761 32 HB2 PRO 7 HB2 PRO 7 13.166 3.096 -3.980 33 HB3 PRO 7 HB1 PRO 7 11.805 4.195 -3.766 34 HG2 PRO 7 HG2 PRO 7 13.705 3.115 -1.731 35 HG3 PRO 7 HG1 PRO 7 13.025 4.746 -1.875 36 HD2 PRO 7 HD2 PRO 7 12.085 3.015 -0.074 37 HD3 PRO 7 HD1 PRO 7 10.993 4.115 -0.942 38 H TRP 8 HN TRP 8 12.840 0.612 -1.834 39 HA TRP 8 HA TRP 8 13.991 -0.894 -3.967 40 HB2 TRP 8 HB2 TRP 8 15.090 -2.172 -2.222 41 HB3 TRP 8 HB1 TRP 8 15.163 -0.460 -1.828 42 HD1 TRP 8 HD1 TRP 8 12.742 0.186 -0.201 43 HE1 TRP 8 HE1 TRP 8 12.136 -0.995 1.994 44 HE3 TRP 8 HE3 TRP 8 15.387 -4.126 -0.864 45 HZ2 TRP 8 HZ2 TRP 8 12.707 -3.438 3.279 46 HZ3 TRP 8 HZ3 TRP 8 15.307 -5.833 0.899 47 HH2 TRP 8 HH2 TRP 8 13.997 -5.495 2.925 48 H ASN 9 HN ASN 9 11.058 -1.111 -2.269 49 HA ASN 9 HA ASN 9 10.304 -3.555 -3.563 50 HB2 ASN 9 HB2 ASN 9 11.575 -4.485 -1.680 51 HB3 ASN 9 HB1 ASN 9 10.617 -3.537 -0.550 52 HD21 ASN 9 HD21 ASN 9 9.973 -5.429 0.516 53 HD22 ASN 9 HD22 ASN 9 8.776 -6.484 -0.146 54 H GLU 10 HN GLU 10 8.776 -1.977 -4.331 55 HA GLU 10 HA GLU 10 6.900 -0.926 -2.348 56 HB2 GLU 10 HB2 GLU 10 7.078 -0.300 -5.301 57 HB3 GLU 10 HB1 GLU 10 6.114 0.553 -4.106 58 HG2 GLU 10 HG2 GLU 10 8.207 1.229 -2.962 59 HG3 GLU 10 HG1 GLU 10 9.114 0.457 -4.264 60 H ASP 11 HN ASP 11 6.139 -3.187 -2.062 61 HA ASP 11 HA ASP 11 4.727 -4.478 -4.169 62 HB2 ASP 11 HB2 ASP 11 5.693 -5.683 -2.214 63 HB3 ASP 11 HB1 ASP 11 4.450 -4.953 -1.198 64 H ASP 12 HN ASP 12 3.080 -3.456 -5.042 65 HA ASP 12 HA ASP 12 1.383 -1.645 -3.669 66 HB2 ASP 12 HB2 ASP 12 1.897 -1.541 -6.106 67 HB3 ASP 12 HB1 ASP 12 0.946 -3.001 -6.340 68 H LEU 13 HN LEU 13 1.253 -5.067 -4.300 69 HA LEU 13 HA LEU 13 -1.536 -5.412 -4.271 70 HB2 LEU 13 HB2 LEU 13 0.532 -6.983 -4.895 71 HB3 LEU 13 HB1 LEU 13 0.213 -7.590 -3.290 72 HG LEU 13 HG LEU 13 -0.932 -8.982 -4.895 73 HD11 LEU 13 HD11 LEU 13 -3.184 -8.883 -4.097 74 HD12 LEU 13 HD12 LEU 13 -2.945 -7.227 -3.538 75 HD13 LEU 13 HD13 LEU 13 -2.062 -8.548 -2.779 76 HD21 LEU 13 HD21 LEU 13 -2.547 -8.165 -6.458 77 HD22 LEU 13 HD22 LEU 13 -1.062 -7.240 -6.681 78 HD23 LEU 13 HD23 LEU 13 -2.423 -6.530 -5.810 79 H ARG 14 HN ARG 14 0.835 -6.181 -1.685 80 HA ARG 14 HA ARG 14 -1.031 -6.892 0.226 81 HB2 ARG 14 HB2 ARG 14 1.795 -6.142 0.216 82 HB3 ARG 14 HB1 ARG 14 0.975 -5.829 1.740 83 HG2 ARG 14 HG2 ARG 14 1.937 -8.025 1.803 84 HG3 ARG 14 HG1 ARG 14 0.183 -8.144 1.756 85 HD2 ARG 14 HD2 ARG 14 1.062 -9.811 0.303 86 HD3 ARG 14 HD1 ARG 14 0.320 -8.554 -0.682 87 HE ARG 14 HE ARG 14 2.475 -7.821 -1.338 88 HH11 ARG 14 HH11 ARG 14 2.534 -10.722 0.642 89 HH12 ARG 14 HH12 ARG 14 4.112 -11.202 0.113 90 HH21 ARG 14 HH21 ARG 14 4.537 -8.467 -2.051 91 HH22 ARG 14 HH22 ARG 14 5.262 -9.911 -1.408 92 H CYS 15 HN CYS 15 0.274 -3.624 -0.400 93 HA CYS 15 HA CYS 15 -1.164 -2.348 1.656 94 HB2 CYS 15 HB2 CYS 15 -0.104 -1.351 -0.988 95 HB3 CYS 15 HB1 CYS 15 -0.791 -0.314 0.238 96 H HIS 16 HN HIS 16 -1.866 -2.977 -1.744 97 HA HIS 16 HA HIS 16 -4.344 -1.721 -1.985 98 HB2 HIS 16 HB2 HIS 16 -2.937 -2.711 -3.826 99 HB3 HIS 16 HB1 HIS 16 -3.464 -4.302 -3.310 100 HD1 HIS 16 HD1 HIS 16 -4.765 -1.154 -4.940 101 HD2 HIS 16 HD2 HIS 16 -5.880 -5.111 -4.301 102 HE1 HIS 16 HE1 HIS 16 -6.822 -1.513 -6.343 103 HE2 HIS 16 HE2 HIS 16 -7.406 -3.947 -6.036 104 H ASN 17 HN ASN 17 -3.508 -4.949 -0.807 105 HA ASN 17 HA ASN 17 -6.140 -5.903 -0.462 106 HB2 ASN 17 HB2 ASN 17 -3.516 -6.670 0.808 107 HB3 ASN 17 HB1 ASN 17 -5.020 -7.490 1.182 108 HD21 ASN 17 HD21 ASN 17 -2.661 -8.600 0.025 109 HD22 ASN 17 HD22 ASN 17 -3.084 -9.206 -1.542 110 H HIS 18 HN HIS 18 -3.845 -4.458 1.838 111 HA HIS 18 HA HIS 18 -5.409 -4.708 4.130 112 HB2 HIS 18 HB2 HIS 18 -3.050 -4.122 4.264 113 HB3 HIS 18 HB1 HIS 18 -3.353 -2.592 3.454 114 HD1 HIS 18 HD1 HIS 18 -4.419 -4.347 6.672 115 HD2 HIS 18 HD2 HIS 18 -3.726 -0.542 5.153 116 HE1 HIS 18 HE1 HIS 18 -4.690 -2.778 8.623 117 HE2 HIS 18 HE2 HIS 18 -4.279 -0.476 7.679 118 H CYS 19 HN CYS 19 -5.278 -2.096 1.758 119 HA CYS 19 HA CYS 19 -7.027 -0.386 3.197 120 HB2 CYS 19 HB2 CYS 19 -6.258 -0.400 0.277 121 HB3 CYS 19 HB1 CYS 19 -7.125 0.902 1.082 122 H LYS 20 HN LYS 20 -7.561 -2.939 0.830 123 HA LYS 20 HA LYS 20 -10.329 -2.331 0.434 124 HB2 LYS 20 HB2 LYS 20 -8.772 -4.868 -0.022 125 HB3 LYS 20 HB1 LYS 20 -10.463 -4.677 -0.443 126 HG2 LYS 20 HG2 LYS 20 -9.765 -2.756 -1.905 127 HG3 LYS 20 HG1 LYS 20 -8.097 -3.251 -1.617 128 HD2 LYS 20 HD2 LYS 20 -10.278 -4.918 -2.872 129 HD3 LYS 20 HD1 LYS 20 -8.899 -4.195 -3.701 130 HE2 LYS 20 HE2 LYS 20 -7.368 -5.596 -2.481 131 HE3 LYS 20 HE1 LYS 20 -8.683 -6.230 -1.493 132 HZ1 LYS 20 HZ1 LYS 20 -8.459 -6.591 -4.430 133 HZ2 LYS 20 HZ2 LYS 20 -9.618 -7.287 -3.413 134 HZ3 LYS 20 HZ3 LYS 20 -7.999 -7.741 -3.283 135 H SER 21 HN SER 21 -8.484 -4.228 2.699 136 HA SER 21 HA SER 21 -10.597 -5.638 3.908 137 HB2 SER 21 HB2 SER 21 -8.216 -6.198 4.244 138 HB3 SER 21 HB1 SER 21 -7.983 -4.685 5.114 139 HG SER 21 HG SER 21 -10.042 -6.111 6.158 140 H ILE 22 HN ILE 22 -9.547 -2.359 4.113 141 HA ILE 22 HA ILE 22 -11.184 -1.804 6.461 142 HB ILE 22 HB ILE 22 -9.493 0.079 4.801 143 HG12 ILE 22 HG12 ILE 22 -8.882 -1.221 7.465 144 HG13 ILE 22 HG11 ILE 22 -8.163 -1.681 5.926 145 HG21 ILE 22 HG21 ILE 22 -10.773 0.450 7.507 146 HG22 ILE 22 HG22 ILE 22 -11.281 1.215 6.003 147 HG23 ILE 22 HG23 ILE 22 -9.711 1.605 6.704 148 HD11 ILE 22 HD11 ILE 22 -7.151 0.539 5.747 149 HD12 ILE 22 HD12 ILE 22 -6.648 -0.303 7.214 150 HD13 ILE 22 HD13 ILE 22 -7.858 0.979 7.301 151 H LYS 23 HN LYS 23 -13.198 -1.069 6.292 152 HA LYS 23 HA LYS 23 -14.557 -0.834 3.860 153 HB2 LYS 23 HB2 LYS 23 -15.499 -1.246 6.210 154 HB3 LYS 23 HB1 LYS 23 -15.392 0.494 6.419 155 HG2 LYS 23 HG2 LYS 23 -16.904 0.853 4.578 156 HG3 LYS 23 HG1 LYS 23 -16.958 -0.881 4.270 157 HD2 LYS 23 HD2 LYS 23 -18.940 -0.147 5.493 158 HD3 LYS 23 HD1 LYS 23 -17.967 -1.248 6.465 159 HE2 LYS 23 HE2 LYS 23 -18.759 0.601 7.820 160 HE3 LYS 23 HE1 LYS 23 -17.006 0.669 7.658 161 HZ1 LYS 23 HZ1 LYS 23 -18.060 2.843 7.407 162 HZ2 LYS 23 HZ2 LYS 23 -18.923 2.284 6.068 163 HZ3 LYS 23 HZ3 LYS 23 -17.238 2.388 6.003 164 H GLY 24 HN GLY 24 -14.867 0.819 2.511 165 HA2 GLY 24 HA2 GLY 24 -15.233 3.199 2.162 166 HA3 GLY 24 HA1 GLY 24 -13.982 3.500 3.359 167 H TYR 25 HN TYR 25 -12.097 1.579 2.378 168 HA TYR 25 HA TYR 25 -11.177 3.142 0.070 169 HB2 TYR 25 HB2 TYR 25 -9.568 1.338 1.887 170 HB3 TYR 25 HB1 TYR 25 -8.931 2.410 0.645 171 HD1 TYR 25 HD1 TYR 25 -9.376 2.071 4.062 172 HD2 TYR 25 HD2 TYR 25 -9.801 4.954 0.962 173 HE1 TYR 25 HE1 TYR 25 -9.194 3.877 5.722 174 HE2 TYR 25 HE2 TYR 25 -9.616 6.765 2.612 175 HH TYR 25 HH TYR 25 -8.501 6.301 5.733 176 H LYS 26 HN LYS 26 -10.011 2.026 -1.646 177 HA LYS 26 HA LYS 26 -10.882 -0.770 -1.967 178 HB2 LYS 26 HB2 LYS 26 -11.244 -0.225 -4.411 179 HB3 LYS 26 HB1 LYS 26 -12.430 0.431 -3.290 180 HG2 LYS 26 HG2 LYS 26 -12.101 2.323 -4.433 181 HG3 LYS 26 HG1 LYS 26 -10.655 2.474 -3.434 182 HD2 LYS 26 HD2 LYS 26 -9.929 2.812 -5.646 183 HD3 LYS 26 HD1 LYS 26 -9.455 1.161 -5.243 184 HE2 LYS 26 HE2 LYS 26 -10.385 1.166 -7.450 185 HE3 LYS 26 HE1 LYS 26 -11.519 0.358 -6.370 186 HZ1 LYS 26 HZ1 LYS 26 -11.726 3.188 -7.238 187 HZ2 LYS 26 HZ2 LYS 26 -12.847 2.346 -6.291 188 HZ3 LYS 26 HZ3 LYS 26 -12.606 1.906 -7.903 189 H GLY 27 HN GLY 27 -8.289 1.095 -1.625 190 HA2 GLY 27 HA2 GLY 27 -6.483 -0.874 -2.429 191 HA3 GLY 27 HA1 GLY 27 -6.577 0.306 -3.730 192 H GLY 28 HN GLY 28 -4.172 0.065 -2.678 193 HA2 GLY 28 HA2 GLY 28 -3.765 2.602 -1.358 194 HA3 GLY 28 HA1 GLY 28 -3.352 1.204 -0.376 195 H TYR 29 HN TYR 29 -1.972 3.478 -2.119 196 HA TYR 29 HA TYR 29 -0.013 1.724 -3.440 197 HB2 TYR 29 HB2 TYR 29 0.671 3.745 -4.695 198 HB3 TYR 29 HB1 TYR 29 -1.033 3.374 -4.924 199 HD1 TYR 29 HD1 TYR 29 -2.762 4.792 -3.855 200 HD2 TYR 29 HD2 TYR 29 1.370 5.758 -3.626 201 HE1 TYR 29 HE1 TYR 29 -3.340 7.087 -3.189 202 HE2 TYR 29 HE2 TYR 29 0.806 8.052 -2.959 203 HH TYR 29 HH TYR 29 -2.244 8.979 -1.941 204 H CYS 30 HN CYS 30 2.282 2.681 -3.406 205 HA CYS 30 HA CYS 30 2.967 2.970 -0.611 206 HB2 CYS 30 HB2 CYS 30 5.066 3.083 -2.716 207 HB3 CYS 30 HB1 CYS 30 5.064 2.251 -1.172 208 H ALA 31 HN ALA 31 2.543 4.983 0.086 209 HA ALA 31 HA ALA 31 3.619 7.255 -1.435 210 HB1 ALA 31 HB1 ALA 31 1.643 7.240 0.841 211 HB2 ALA 31 HB2 ALA 31 1.229 7.339 -0.870 212 HB3 ALA 31 HB3 ALA 31 2.135 8.643 -0.104 213 H LYS 32 HN LYS 32 4.114 9.128 0.325 214 HA LYS 32 HA LYS 32 5.650 9.936 1.784 215 HB2 LYS 32 HB2 LYS 32 4.755 7.455 3.223 216 HB3 LYS 32 HB1 LYS 32 5.927 8.553 3.928 217 HG2 LYS 32 HG2 LYS 32 3.821 9.106 4.847 218 HG3 LYS 32 HG1 LYS 32 4.209 10.374 3.685 219 HD2 LYS 32 HD2 LYS 32 2.742 9.342 2.044 220 HD3 LYS 32 HD1 LYS 32 2.403 8.016 3.155 221 HE2 LYS 32 HE2 LYS 32 0.574 9.584 3.193 222 HE3 LYS 32 HE1 LYS 32 1.419 9.631 4.737 223 HZ1 LYS 32 HZ1 LYS 32 0.856 11.844 3.899 224 HZ2 LYS 32 HZ2 LYS 32 1.813 11.577 2.530 225 HZ3 LYS 32 HZ3 LYS 32 2.526 11.640 4.063 226 H GLY 33 HN GLY 33 6.784 8.711 -0.376 227 HA2 GLY 33 HA2 GLY 33 9.097 8.385 -0.812 228 HA3 GLY 33 HA1 GLY 33 9.282 7.720 0.804 229 H GLY 34 HN GLY 34 6.557 6.348 -0.250 230 HA2 GLY 34 HA2 GLY 34 6.130 4.464 -1.632 231 HA3 GLY 34 HA1 GLY 34 7.864 4.209 -1.772 232 H PHE 35 HN PHE 35 6.610 4.906 1.349 233 HA PHE 35 HA PHE 35 7.166 2.121 2.098 234 HB2 PHE 35 HB2 PHE 35 7.318 4.641 3.767 235 HB3 PHE 35 HB1 PHE 35 7.600 3.019 4.382 236 HD1 PHE 35 HD1 PHE 35 8.887 5.641 2.141 237 HD2 PHE 35 HD2 PHE 35 9.688 1.939 4.077 238 HE1 PHE 35 HE1 PHE 35 11.260 5.836 1.526 239 HE2 PHE 35 HE2 PHE 35 12.063 2.131 3.470 240 HZ PHE 35 HZ PHE 35 12.867 4.099 2.262 241 H VAL 36 HN VAL 36 4.911 4.786 2.513 242 HA VAL 36 HA VAL 36 3.300 3.232 4.384 243 HB VAL 36 HB VAL 36 3.065 6.101 3.463 244 HG11 VAL 36 HG11 VAL 36 1.400 6.374 5.233 245 HG12 VAL 36 HG12 VAL 36 1.478 4.646 5.576 246 HG13 VAL 36 HG13 VAL 36 0.864 5.209 4.021 247 HG21 VAL 36 HG21 VAL 36 3.800 6.639 5.735 248 HG22 VAL 36 HG22 VAL 36 5.002 5.674 4.879 249 HG23 VAL 36 HG23 VAL 36 3.964 4.920 6.088 250 H CYS 37 HN CYS 37 1.611 2.089 3.738 251 HA CYS 37 HA CYS 37 0.600 2.120 1.093 252 HB2 CYS 37 HB2 CYS 37 -0.686 0.988 3.585 253 HB3 CYS 37 HB1 CYS 37 -0.996 0.511 1.933 254 H LYS 38 HN LYS 38 -0.149 4.253 0.631 255 HA LYS 38 HA LYS 38 -2.129 5.413 2.406 256 HB2 LYS 38 HB2 LYS 38 -0.309 6.526 0.767 257 HB3 LYS 38 HB1 LYS 38 -1.733 6.641 -0.236 258 HG2 LYS 38 HG2 LYS 38 -1.424 7.732 2.553 259 HG3 LYS 38 HG1 LYS 38 -1.383 8.668 1.061 260 HD2 LYS 38 HD2 LYS 38 -3.776 6.999 1.397 261 HD3 LYS 38 HD1 LYS 38 -3.596 8.276 2.599 262 HE2 LYS 38 HE2 LYS 38 -4.860 9.202 0.834 263 HE3 LYS 38 HE1 LYS 38 -3.238 9.867 0.683 264 HZ1 LYS 38 HZ1 LYS 38 -2.776 8.374 -1.105 265 HZ2 LYS 38 HZ2 LYS 38 -4.228 9.173 -1.442 266 HZ3 LYS 38 HZ3 LYS 38 -4.256 7.575 -0.896 267 H CYS 39 HN CYS 39 -4.121 5.063 2.268 268 HA CYS 39 HA CYS 39 -5.128 3.289 0.220 269 HB2 CYS 39 HB2 CYS 39 -6.471 4.372 2.701 270 HB3 CYS 39 HB1 CYS 39 -7.109 3.105 1.659 271 H TYR 40 HN TYR 40 -6.948 3.647 -1.043 272 HA TYR 40 HA TYR 40 -7.992 6.375 -1.175 273 HB2 TYR 40 HB2 TYR 40 -7.894 6.232 -3.699 274 HB3 TYR 40 HB1 TYR 40 -6.340 6.422 -2.901 275 HD1 TYR 40 HD1 TYR 40 -4.612 4.902 -3.279 276 HD2 TYR 40 HD2 TYR 40 -8.560 3.891 -4.484 277 HE1 TYR 40 HE1 TYR 40 -3.737 2.939 -4.470 278 HE2 TYR 40 HE2 TYR 40 -7.703 1.917 -5.672 279 HH TYR 40 HH TYR 40 -5.492 1.214 -6.720 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 5.614 -0.947 7.984 2 H2 GLY 1 HT2 GLY 1 6.655 -0.043 7.009 3 H3 GLY 1 HT3 GLY 1 6.533 -1.714 6.788 4 HA2 GLY 1 HA1 GLY 1 4.378 0.263 6.303 5 HA3 GLY 1 HA2 GLY 1 5.332 -0.536 5.060 6 H PHE 2 HN PHE 2 2.515 -0.653 5.203 7 HA PHE 2 HA PHE 2 1.702 -3.085 6.457 8 HB2 PHE 2 HB2 PHE 2 0.226 -1.433 4.404 9 HB3 PHE 2 HB1 PHE 2 -0.479 -2.668 5.443 10 HD1 PHE 2 HD1 PHE 2 -0.233 -2.268 7.999 11 HD2 PHE 2 HD2 PHE 2 0.145 0.778 5.050 12 HE1 PHE 2 HE1 PHE 2 -0.711 -0.561 9.706 13 HE2 PHE 2 HE2 PHE 2 -0.331 2.490 6.751 14 HZ PHE 2 HZ PHE 2 -0.795 1.829 9.064 15 H GLY 3 HN GLY 3 3.313 -2.376 3.671 16 HA2 GLY 3 HA2 GLY 3 3.386 -5.062 2.783 17 HA3 GLY 3 HA1 GLY 3 2.363 -4.088 1.730 18 H CYS 4 HN CYS 4 3.496 -1.781 1.432 19 HA CYS 4 HA CYS 4 5.982 -2.288 0.087 20 HB2 CYS 4 HB2 CYS 4 4.650 0.375 0.609 21 HB3 CYS 4 HB1 CYS 4 5.843 0.010 -0.632 22 H ASN 5 HN ASN 5 7.990 -1.865 0.801 23 HA ASN 5 HA ASN 5 8.303 -0.350 3.296 24 HB2 ASN 5 HB2 ASN 5 9.413 -3.109 2.743 25 HB3 ASN 5 HB1 ASN 5 10.031 -2.063 4.015 26 HD21 ASN 5 HD21 ASN 5 7.369 -4.024 2.954 27 HD22 ASN 5 HD22 ASN 5 6.541 -4.074 4.469 28 H GLY 6 HN GLY 6 8.734 0.662 0.792 29 HA2 GLY 6 HA2 GLY 6 10.679 2.205 0.570 30 HA3 GLY 6 HA1 GLY 6 11.684 0.766 0.672 31 HA PRO 7 HA PRO 7 10.315 1.999 -3.755 32 HB2 PRO 7 HB2 PRO 7 12.788 2.696 -4.683 33 HB3 PRO 7 HB1 PRO 7 11.637 3.841 -3.996 34 HG2 PRO 7 HG2 PRO 7 13.986 2.518 -2.702 35 HG3 PRO 7 HG1 PRO 7 13.446 4.204 -2.587 36 HD2 PRO 7 HD2 PRO 7 12.943 2.412 -0.644 37 HD3 PRO 7 HD1 PRO 7 11.786 3.695 -1.056 38 H TRP 8 HN TRP 8 12.868 0.139 -2.351 39 HA TRP 8 HA TRP 8 13.366 -1.407 -4.752 40 HB2 TRP 8 HB2 TRP 8 15.063 -2.533 -3.467 41 HB3 TRP 8 HB1 TRP 8 15.177 -0.810 -3.126 42 HD1 TRP 8 HD1 TRP 8 13.764 -0.091 -0.724 43 HE1 TRP 8 HE1 TRP 8 13.827 -1.339 1.526 44 HE3 TRP 8 HE3 TRP 8 15.403 -4.647 -2.370 45 HZ2 TRP 8 HZ2 TRP 8 14.487 -3.914 2.474 46 HZ3 TRP 8 HZ3 TRP 8 15.726 -6.448 -0.725 47 HH2 TRP 8 HH2 TRP 8 15.277 -6.086 1.646 48 H ASN 9 HN ASN 9 11.068 -1.428 -2.343 49 HA ASN 9 HA ASN 9 10.184 -4.099 -2.977 50 HB2 ASN 9 HB2 ASN 9 11.771 -4.643 -1.224 51 HB3 ASN 9 HB1 ASN 9 11.107 -3.393 -0.178 52 HD21 ASN 9 HD21 ASN 9 10.687 -4.880 1.454 53 HD22 ASN 9 HD22 ASN 9 9.375 -6.005 1.357 54 H GLU 10 HN GLU 10 8.442 -2.788 -3.773 55 HA GLU 10 HA GLU 10 6.816 -1.550 -1.674 56 HB2 GLU 10 HB2 GLU 10 6.552 -1.226 -4.668 57 HB3 GLU 10 HB1 GLU 10 5.638 -0.364 -3.449 58 HG2 GLU 10 HG2 GLU 10 7.733 0.647 -2.636 59 HG3 GLU 10 HG1 GLU 10 8.600 -0.169 -3.937 60 H ASP 11 HN ASP 11 5.916 -3.053 -4.764 61 HA ASP 11 HA ASP 11 4.270 -4.470 -5.356 62 HB2 ASP 11 HB2 ASP 11 5.401 -6.091 -3.870 63 HB3 ASP 11 HB1 ASP 11 4.421 -5.516 -2.522 64 H ASP 12 HN ASP 12 2.652 -3.173 -5.792 65 HA ASP 12 HA ASP 12 1.177 -1.630 -3.965 66 HB2 ASP 12 HB2 ASP 12 1.367 -1.201 -6.413 67 HB3 ASP 12 HB1 ASP 12 0.342 -2.597 -6.710 68 H LEU 13 HN LEU 13 0.914 -4.955 -4.889 69 HA LEU 13 HA LEU 13 -1.850 -5.336 -4.550 70 HB2 LEU 13 HB2 LEU 13 0.257 -6.828 -5.427 71 HB3 LEU 13 HB1 LEU 13 -0.081 -7.580 -3.893 72 HG LEU 13 HG LEU 13 -1.303 -8.847 -5.440 73 HD11 LEU 13 HD11 LEU 13 -2.668 -8.229 -3.519 74 HD12 LEU 13 HD12 LEU 13 -3.645 -8.441 -4.973 75 HD13 LEU 13 HD13 LEU 13 -3.264 -6.820 -4.395 76 HD21 LEU 13 HD21 LEU 13 -2.706 -7.902 -7.192 77 HD22 LEU 13 HD22 LEU 13 -1.038 -7.346 -7.343 78 HD23 LEU 13 HD23 LEU 13 -2.268 -6.275 -6.673 79 H ARG 14 HN ARG 14 0.910 -5.805 -2.353 80 HA ARG 14 HA ARG 14 -0.408 -6.866 -0.145 81 HB2 ARG 14 HB2 ARG 14 1.893 -4.897 -0.171 82 HB3 ARG 14 HB1 ARG 14 1.380 -5.815 1.232 83 HG2 ARG 14 HG2 ARG 14 2.362 -7.041 -1.332 84 HG3 ARG 14 HG1 ARG 14 3.361 -6.749 0.094 85 HD2 ARG 14 HD2 ARG 14 0.891 -8.475 0.023 86 HD3 ARG 14 HD1 ARG 14 2.545 -9.072 -0.045 87 HE ARG 14 HE ARG 14 1.727 -7.457 2.259 88 HH11 ARG 14 HH11 ARG 14 2.551 -10.584 0.931 89 HH12 ARG 14 HH12 ARG 14 2.846 -11.307 2.478 90 HH21 ARG 14 HH21 ARG 14 2.096 -8.402 4.301 91 HH22 ARG 14 HH22 ARG 14 2.595 -10.062 4.400 92 H CYS 15 HN CYS 15 0.359 -3.425 -0.633 93 HA CYS 15 HA CYS 15 -1.131 -2.577 1.583 94 HB2 CYS 15 HB2 CYS 15 0.002 -1.143 -0.808 95 HB3 CYS 15 HB1 CYS 15 -0.777 -0.320 0.529 96 H HIS 16 HN HIS 16 -1.952 -2.969 -1.815 97 HA HIS 16 HA HIS 16 -4.514 -1.821 -1.750 98 HB2 HIS 16 HB2 HIS 16 -3.658 -2.438 -3.876 99 HB3 HIS 16 HB1 HIS 16 -3.307 -4.076 -3.350 100 HD1 HIS 16 HD1 HIS 16 -6.311 -1.879 -4.110 101 HD2 HIS 16 HD2 HIS 16 -5.234 -5.886 -3.944 102 HE1 HIS 16 HE1 HIS 16 -8.310 -3.149 -4.944 103 HE2 HIS 16 HE2 HIS 16 -7.530 -5.542 -5.074 104 H ASN 17 HN ASN 17 -3.491 -5.180 -1.173 105 HA ASN 17 HA ASN 17 -5.971 -6.255 -0.501 106 HB2 ASN 17 HB2 ASN 17 -3.136 -6.996 0.058 107 HB3 ASN 17 HB1 ASN 17 -4.401 -7.840 0.933 108 HD21 ASN 17 HD21 ASN 17 -2.535 -8.857 -1.047 109 HD22 ASN 17 HD22 ASN 17 -3.491 -9.504 -2.333 110 H HIS 18 HN HIS 18 -3.601 -4.583 1.458 111 HA HIS 18 HA HIS 18 -4.818 -4.838 3.958 112 HB2 HIS 18 HB2 HIS 18 -2.617 -3.906 3.848 113 HB3 HIS 18 HB1 HIS 18 -3.136 -2.654 2.736 114 HD1 HIS 18 HD1 HIS 18 -2.526 -0.626 4.130 115 HD2 HIS 18 HD2 HIS 18 -4.959 -3.327 6.075 116 HE1 HIS 18 HE1 HIS 18 -3.218 0.522 6.256 117 HE2 HIS 18 HE2 HIS 18 -4.504 -1.231 7.529 118 H CYS 19 HN CYS 19 -4.981 -2.015 1.842 119 HA CYS 19 HA CYS 19 -6.894 -0.678 3.359 120 HB2 CYS 19 HB2 CYS 19 -6.194 -0.285 0.452 121 HB3 CYS 19 HB1 CYS 19 -7.019 0.882 1.477 122 H LYS 20 HN LYS 20 -7.352 -2.853 0.589 123 HA LYS 20 HA LYS 20 -10.035 -2.102 0.067 124 HB2 LYS 20 HB2 LYS 20 -10.213 -4.176 -1.210 125 HB3 LYS 20 HB1 LYS 20 -8.701 -3.355 -1.569 126 HG2 LYS 20 HG2 LYS 20 -7.470 -4.894 -0.218 127 HG3 LYS 20 HG1 LYS 20 -8.957 -5.633 0.377 128 HD2 LYS 20 HD2 LYS 20 -8.132 -5.624 -2.522 129 HD3 LYS 20 HD1 LYS 20 -7.763 -6.934 -1.400 130 HE2 LYS 20 HE2 LYS 20 -10.216 -7.138 -0.959 131 HE3 LYS 20 HE1 LYS 20 -10.488 -5.974 -2.256 132 HZ1 LYS 20 HZ1 LYS 20 -10.723 -8.229 -3.056 133 HZ2 LYS 20 HZ2 LYS 20 -9.162 -8.617 -2.540 134 HZ3 LYS 20 HZ3 LYS 20 -9.384 -7.499 -3.788 135 H SER 21 HN SER 21 -8.636 -3.985 2.555 136 HA SER 21 HA SER 21 -11.024 -5.491 3.156 137 HB2 SER 21 HB2 SER 21 -8.512 -5.140 4.811 138 HB3 SER 21 HB1 SER 21 -9.746 -6.384 5.017 139 HG SER 21 HG SER 21 -7.798 -6.104 3.007 140 H ILE 22 HN ILE 22 -9.929 -2.367 3.714 141 HA ILE 22 HA ILE 22 -11.397 -2.027 6.210 142 HB ILE 22 HB ILE 22 -9.873 0.029 4.597 143 HG12 ILE 22 HG12 ILE 22 -9.011 -1.469 7.083 144 HG13 ILE 22 HG11 ILE 22 -8.412 -1.784 5.457 145 HG21 ILE 22 HG21 ILE 22 -11.573 1.008 6.028 146 HG22 ILE 22 HG22 ILE 22 -9.967 1.360 6.661 147 HG23 ILE 22 HG23 ILE 22 -10.954 0.108 7.413 148 HD11 ILE 22 HD11 ILE 22 -8.082 0.793 6.978 149 HD12 ILE 22 HD12 ILE 22 -7.448 0.446 5.368 150 HD13 ILE 22 HD13 ILE 22 -6.847 -0.449 6.766 151 H LYS 23 HN LYS 23 -13.429 -1.323 6.240 152 HA LYS 23 HA LYS 23 -14.988 -0.978 3.958 153 HB2 LYS 23 HB2 LYS 23 -15.683 -1.387 6.427 154 HB3 LYS 23 HB1 LYS 23 -15.637 0.365 6.552 155 HG2 LYS 23 HG2 LYS 23 -17.262 0.516 4.710 156 HG3 LYS 23 HG1 LYS 23 -17.356 -1.245 4.695 157 HD2 LYS 23 HD2 LYS 23 -19.213 -0.343 5.959 158 HD3 LYS 23 HD1 LYS 23 -18.114 -1.192 7.048 159 HE2 LYS 23 HE2 LYS 23 -17.146 0.912 7.762 160 HE3 LYS 23 HE1 LYS 23 -18.144 1.791 6.606 161 HZ1 LYS 23 HZ1 LYS 23 -20.108 1.029 7.810 162 HZ2 LYS 23 HZ2 LYS 23 -19.081 1.930 8.802 163 HZ3 LYS 23 HZ3 LYS 23 -19.127 0.242 8.941 164 H GLY 24 HN GLY 24 -15.265 0.667 2.615 165 HA2 GLY 24 HA2 GLY 24 -15.598 3.010 2.184 166 HA3 GLY 24 HA1 GLY 24 -14.462 3.363 3.476 167 H TYR 25 HN TYR 25 -12.539 1.324 2.541 168 HA TYR 25 HA TYR 25 -11.429 2.951 0.359 169 HB2 TYR 25 HB2 TYR 25 -9.986 1.185 2.347 170 HB3 TYR 25 HB1 TYR 25 -9.219 2.144 1.084 171 HD1 TYR 25 HD1 TYR 25 -9.800 2.070 4.456 172 HD2 TYR 25 HD2 TYR 25 -10.155 4.731 1.161 173 HE1 TYR 25 HE1 TYR 25 -9.694 3.978 5.998 174 HE2 TYR 25 HE2 TYR 25 -10.049 6.651 2.691 175 HH TYR 25 HH TYR 25 -10.572 7.080 5.136 176 H LYS 26 HN LYS 26 -10.216 1.909 -1.304 177 HA LYS 26 HA LYS 26 -11.001 -0.895 -1.733 178 HB2 LYS 26 HB2 LYS 26 -11.131 -0.260 -4.216 179 HB3 LYS 26 HB1 LYS 26 -12.469 0.199 -3.178 180 HG2 LYS 26 HG2 LYS 26 -10.270 2.146 -3.691 181 HG3 LYS 26 HG1 LYS 26 -11.500 1.870 -4.924 182 HD2 LYS 26 HD2 LYS 26 -13.244 2.390 -3.252 183 HD3 LYS 26 HD1 LYS 26 -11.981 2.743 -2.074 184 HE2 LYS 26 HE2 LYS 26 -12.810 4.796 -3.056 185 HE3 LYS 26 HE1 LYS 26 -11.137 4.524 -3.535 186 HZ1 LYS 26 HZ1 LYS 26 -12.504 5.260 -5.389 187 HZ2 LYS 26 HZ2 LYS 26 -13.517 3.921 -5.204 188 HZ3 LYS 26 HZ3 LYS 26 -11.905 3.706 -5.662 189 H GLY 27 HN GLY 27 -8.531 1.503 -1.871 190 HA2 GLY 27 HA2 GLY 27 -6.655 -0.584 -2.686 191 HA3 GLY 27 HA1 GLY 27 -6.744 0.836 -3.714 192 H GLY 28 HN GLY 28 -4.370 0.232 -2.661 193 HA2 GLY 28 HA2 GLY 28 -3.866 2.556 -1.006 194 HA3 GLY 28 HA1 GLY 28 -3.489 1.013 -0.248 195 H TYR 29 HN TYR 29 -1.846 3.397 -1.384 196 HA TYR 29 HA TYR 29 -0.056 1.713 -3.010 197 HB2 TYR 29 HB2 TYR 29 0.425 3.738 -4.423 198 HB3 TYR 29 HB1 TYR 29 -1.181 3.052 -4.625 199 HD1 TYR 29 HD1 TYR 29 -3.136 4.294 -4.034 200 HD2 TYR 29 HD2 TYR 29 0.723 5.896 -3.249 201 HE1 TYR 29 HE1 TYR 29 -4.142 6.496 -3.619 202 HE2 TYR 29 HE2 TYR 29 -0.278 8.102 -2.821 203 HH TYR 29 HH TYR 29 -2.336 9.335 -3.454 204 H CYS 30 HN CYS 30 2.106 2.058 -2.816 205 HA CYS 30 HA CYS 30 3.021 3.263 -0.404 206 HB2 CYS 30 HB2 CYS 30 5.125 2.655 -2.270 207 HB3 CYS 30 HB1 CYS 30 4.726 1.857 -0.756 208 H ALA 31 HN ALA 31 2.978 5.431 -0.301 209 HA ALA 31 HA ALA 31 3.667 6.962 -2.706 210 HB1 ALA 31 HB1 ALA 31 1.505 7.442 -1.659 211 HB2 ALA 31 HB2 ALA 31 2.571 8.848 -1.641 212 HB3 ALA 31 HB3 ALA 31 2.334 7.901 -0.171 213 H LYS 32 HN LYS 32 4.006 7.816 0.706 214 HA LYS 32 HA LYS 32 6.201 9.457 0.273 215 HB2 LYS 32 HB2 LYS 32 5.313 8.192 2.863 216 HB3 LYS 32 HB1 LYS 32 6.360 9.593 2.708 217 HG2 LYS 32 HG2 LYS 32 4.569 10.881 1.734 218 HG3 LYS 32 HG1 LYS 32 3.512 9.469 1.744 219 HD2 LYS 32 HD2 LYS 32 3.565 9.418 4.171 220 HD3 LYS 32 HD1 LYS 32 4.692 10.777 4.194 221 HE2 LYS 32 HE2 LYS 32 3.014 12.199 3.145 222 HE3 LYS 32 HE1 LYS 32 1.895 10.840 3.070 223 HZ1 LYS 32 HZ1 LYS 32 1.440 12.327 4.937 224 HZ2 LYS 32 HZ2 LYS 32 2.974 12.020 5.571 225 HZ3 LYS 32 HZ3 LYS 32 1.840 10.774 5.467 226 H GLY 33 HN GLY 33 7.941 8.539 -0.691 227 HA2 GLY 33 HA2 GLY 33 10.024 7.573 -0.685 228 HA3 GLY 33 HA1 GLY 33 9.766 7.143 0.997 229 H GLY 34 HN GLY 34 7.250 6.022 -0.939 230 HA2 GLY 34 HA2 GLY 34 6.713 3.909 -1.715 231 HA3 GLY 34 HA1 GLY 34 8.424 3.504 -1.668 232 H PHE 35 HN PHE 35 7.452 4.791 1.256 233 HA PHE 35 HA PHE 35 7.353 2.117 2.448 234 HB2 PHE 35 HB2 PHE 35 7.983 4.830 3.616 235 HB3 PHE 35 HB1 PHE 35 7.757 3.396 4.606 236 HD1 PHE 35 HD1 PHE 35 9.944 5.082 2.206 237 HD2 PHE 35 HD2 PHE 35 9.411 1.656 4.669 238 HE1 PHE 35 HE1 PHE 35 12.322 4.517 1.928 239 HE2 PHE 35 HE2 PHE 35 11.785 1.087 4.396 240 HZ PHE 35 HZ PHE 35 13.247 2.517 3.028 241 H VAL 36 HN VAL 36 5.693 5.248 2.521 242 HA VAL 36 HA VAL 36 3.679 4.187 4.325 243 HB VAL 36 HB VAL 36 3.862 6.937 3.085 244 HG11 VAL 36 HG11 VAL 36 1.608 6.395 3.799 245 HG12 VAL 36 HG12 VAL 36 2.320 7.593 4.879 246 HG13 VAL 36 HG13 VAL 36 2.207 5.907 5.385 247 HG21 VAL 36 HG21 VAL 36 4.748 5.972 5.803 248 HG22 VAL 36 HG22 VAL 36 4.747 7.650 5.260 249 HG23 VAL 36 HG23 VAL 36 5.805 6.472 4.483 250 H CYS 37 HN CYS 37 2.162 2.957 3.445 251 HA CYS 37 HA CYS 37 1.181 3.454 0.778 252 HB2 CYS 37 HB2 CYS 37 0.583 1.363 2.862 253 HB3 CYS 37 HB1 CYS 37 -0.234 1.445 1.315 254 H LYS 38 HN LYS 38 -0.392 4.844 0.425 255 HA LYS 38 HA LYS 38 -2.202 5.508 2.624 256 HB2 LYS 38 HB2 LYS 38 -1.045 7.338 1.410 257 HB3 LYS 38 HB1 LYS 38 -1.905 6.885 -0.045 258 HG2 LYS 38 HG2 LYS 38 -3.909 7.676 0.717 259 HG3 LYS 38 HG1 LYS 38 -3.486 7.437 2.410 260 HD2 LYS 38 HD2 LYS 38 -3.575 9.776 1.993 261 HD3 LYS 38 HD1 LYS 38 -1.884 9.331 2.203 262 HE2 LYS 38 HE2 LYS 38 -1.995 10.838 0.366 263 HE3 LYS 38 HE1 LYS 38 -1.696 9.230 -0.293 264 HZ1 LYS 38 HZ1 LYS 38 -4.309 10.634 -0.214 265 HZ2 LYS 38 HZ2 LYS 38 -4.074 9.061 -0.785 266 HZ3 LYS 38 HZ3 LYS 38 -3.356 10.364 -1.583 267 H CYS 39 HN CYS 39 -4.362 5.267 2.504 268 HA CYS 39 HA CYS 39 -5.234 3.300 0.516 269 HB2 CYS 39 HB2 CYS 39 -6.540 4.135 3.114 270 HB3 CYS 39 HB1 CYS 39 -7.081 2.831 2.065 271 H TYR 40 HN TYR 40 -6.921 3.639 -0.842 272 HA TYR 40 HA TYR 40 -8.373 6.178 -0.586 273 HB2 TYR 40 HB2 TYR 40 -8.460 6.355 -3.049 274 HB3 TYR 40 HB1 TYR 40 -6.817 6.450 -2.438 275 HD1 TYR 40 HD1 TYR 40 -5.192 4.789 -3.018 276 HD2 TYR 40 HD2 TYR 40 -9.230 4.360 -4.278 277 HE1 TYR 40 HE1 TYR 40 -4.512 3.033 -4.595 278 HE2 TYR 40 HE2 TYR 40 -8.560 2.607 -5.854 279 HH TYR 40 HH TYR 40 -5.471 1.149 -5.769 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 6.432 -2.251 6.946 2 H2 GLY 1 HT2 GLY 1 5.300 -2.083 8.187 3 H3 GLY 1 HT3 GLY 1 6.362 -0.816 7.837 4 HA2 GLY 1 HA1 GLY 1 4.218 -0.278 6.955 5 HA3 GLY 1 HA2 GLY 1 5.353 -0.565 5.642 6 H PHE 2 HN PHE 2 2.727 -0.722 5.059 7 HA PHE 2 HA PHE 2 1.915 -3.500 5.278 8 HB2 PHE 2 HB2 PHE 2 0.338 -1.146 4.234 9 HB3 PHE 2 HB1 PHE 2 -0.290 -2.756 4.569 10 HD1 PHE 2 HD1 PHE 2 -0.059 -3.594 7.006 11 HD2 PHE 2 HD2 PHE 2 0.221 0.493 5.859 12 HE1 PHE 2 HE1 PHE 2 -0.593 -2.917 9.309 13 HE2 PHE 2 HE2 PHE 2 -0.310 1.180 8.161 14 HZ PHE 2 HZ PHE 2 -0.686 -0.519 9.896 15 H GLY 3 HN GLY 3 3.783 -3.882 3.762 16 HA2 GLY 3 HA2 GLY 3 4.259 -4.753 1.646 17 HA3 GLY 3 HA1 GLY 3 2.806 -3.976 1.028 18 H CYS 4 HN CYS 4 4.536 -1.865 2.905 19 HA CYS 4 HA CYS 4 6.019 -0.774 0.621 20 HB2 CYS 4 HB2 CYS 4 4.453 0.948 2.537 21 HB3 CYS 4 HB1 CYS 4 5.169 1.412 1.001 22 H ASN 5 HN ASN 5 7.922 -1.562 1.579 23 HA ASN 5 HA ASN 5 8.735 -0.078 3.990 24 HB2 ASN 5 HB2 ASN 5 9.462 -2.915 3.226 25 HB3 ASN 5 HB1 ASN 5 10.206 -2.027 4.546 26 HD21 ASN 5 HD21 ASN 5 7.360 -3.655 3.425 27 HD22 ASN 5 HD22 ASN 5 6.562 -3.742 4.961 28 H GLY 6 HN GLY 6 9.045 0.362 1.008 29 HA2 GLY 6 HA2 GLY 6 10.995 1.859 0.501 30 HA3 GLY 6 HA1 GLY 6 11.996 0.499 0.980 31 HA PRO 7 HA PRO 7 11.175 0.925 -3.779 32 HB2 PRO 7 HB2 PRO 7 14.036 0.289 -3.725 33 HB3 PRO 7 HB1 PRO 7 13.189 1.563 -4.601 34 HG2 PRO 7 HG2 PRO 7 14.720 1.825 -2.244 35 HG3 PRO 7 HG1 PRO 7 13.726 3.067 -3.017 36 HD2 PRO 7 HD2 PRO 7 13.281 1.805 -0.524 37 HD3 PRO 7 HD1 PRO 7 12.192 2.915 -1.374 38 H TRP 8 HN TRP 8 13.086 -1.248 -1.764 39 HA TRP 8 HA TRP 8 12.972 -3.372 -3.729 40 HB2 TRP 8 HB2 TRP 8 14.181 -4.351 -1.425 41 HB3 TRP 8 HB1 TRP 8 15.005 -3.716 -2.843 42 HD1 TRP 8 HD1 TRP 8 13.538 -2.330 0.482 43 HE1 TRP 8 HE1 TRP 8 15.058 -0.418 1.291 44 HE3 TRP 8 HE3 TRP 8 16.856 -2.249 -3.404 45 HZ2 TRP 8 HZ2 TRP 8 17.365 0.938 0.396 46 HZ3 TRP 8 HZ3 TRP 8 18.692 -0.612 -3.349 47 HH2 TRP 8 HH2 TRP 8 18.939 0.948 -1.489 48 H ASN 9 HN ASN 9 10.795 -2.319 -1.572 49 HA ASN 9 HA ASN 9 9.858 -5.047 -0.989 50 HB2 ASN 9 HB2 ASN 9 10.829 -4.151 1.060 51 HB3 ASN 9 HB1 ASN 9 9.826 -2.709 0.929 52 HD21 ASN 9 HD21 ASN 9 9.923 -6.058 1.777 53 HD22 ASN 9 HD22 ASN 9 8.339 -6.148 2.461 54 H GLU 10 HN GLU 10 9.095 -1.731 -1.731 55 HA GLU 10 HA GLU 10 6.396 -1.579 -1.281 56 HB2 GLU 10 HB2 GLU 10 6.348 -0.010 -3.278 57 HB3 GLU 10 HB1 GLU 10 7.485 0.384 -1.998 58 HG2 GLU 10 HG2 GLU 10 9.327 -0.337 -3.262 59 HG3 GLU 10 HG1 GLU 10 8.300 -1.162 -4.436 60 H ASP 11 HN ASP 11 4.667 -2.540 -1.988 61 HA ASP 11 HA ASP 11 4.635 -3.742 -4.661 62 HB2 ASP 11 HB2 ASP 11 5.143 -5.537 -3.032 63 HB3 ASP 11 HB1 ASP 11 3.679 -5.131 -2.146 64 H ASP 12 HN ASP 12 2.901 -3.156 -5.742 65 HA ASP 12 HA ASP 12 1.051 -1.317 -4.660 66 HB2 ASP 12 HB2 ASP 12 1.783 -1.321 -7.025 67 HB3 ASP 12 HB1 ASP 12 0.923 -2.836 -7.274 68 H LEU 13 HN LEU 13 0.976 -4.766 -5.148 69 HA LEU 13 HA LEU 13 -1.864 -5.013 -4.936 70 HB2 LEU 13 HB2 LEU 13 0.185 -6.582 -5.844 71 HB3 LEU 13 HB1 LEU 13 -0.216 -7.350 -4.331 72 HG LEU 13 HG LEU 13 -1.434 -8.463 -6.054 73 HD11 LEU 13 HD11 LEU 13 -3.735 -8.149 -5.377 74 HD12 LEU 13 HD12 LEU 13 -3.324 -6.606 -4.630 75 HD13 LEU 13 HD13 LEU 13 -2.666 -8.105 -3.977 76 HD21 LEU 13 HD21 LEU 13 -1.304 -6.743 -7.763 77 HD22 LEU 13 HD22 LEU 13 -2.452 -5.745 -6.869 78 HD23 LEU 13 HD23 LEU 13 -2.969 -7.285 -7.556 79 H ARG 14 HN ARG 14 0.905 -5.580 -2.781 80 HA ARG 14 HA ARG 14 -0.448 -6.635 -0.588 81 HB2 ARG 14 HB2 ARG 14 1.968 -4.818 -0.602 82 HB3 ARG 14 HB1 ARG 14 1.394 -5.686 0.805 83 HG2 ARG 14 HG2 ARG 14 2.533 -6.834 -1.725 84 HG3 ARG 14 HG1 ARG 14 3.205 -6.917 -0.097 85 HD2 ARG 14 HD2 ARG 14 0.725 -8.282 -1.130 86 HD3 ARG 14 HD1 ARG 14 2.237 -9.042 -0.643 87 HE ARG 14 HE ARG 14 1.371 -7.694 1.581 88 HH11 ARG 14 HH11 ARG 14 0.094 -10.194 -0.507 89 HH12 ARG 14 HH12 ARG 14 -0.889 -10.908 0.732 90 HH21 ARG 14 HH21 ARG 14 0.051 -8.617 3.214 91 HH22 ARG 14 HH22 ARG 14 -0.915 -10.011 2.845 92 H CYS 15 HN CYS 15 0.412 -3.217 -1.076 93 HA CYS 15 HA CYS 15 -1.019 -2.217 1.115 94 HB2 CYS 15 HB2 CYS 15 0.698 -0.950 -0.172 95 HB3 CYS 15 HB1 CYS 15 -0.452 -0.790 -1.495 96 H HIS 16 HN HIS 16 -2.006 -2.734 -2.252 97 HA HIS 16 HA HIS 16 -4.612 -1.761 -2.130 98 HB2 HIS 16 HB2 HIS 16 -3.789 -2.388 -4.255 99 HB3 HIS 16 HB1 HIS 16 -3.346 -3.994 -3.707 100 HD1 HIS 16 HD1 HIS 16 -6.479 -1.965 -4.444 101 HD2 HIS 16 HD2 HIS 16 -5.197 -5.914 -4.240 102 HE1 HIS 16 HE1 HIS 16 -8.433 -3.353 -5.196 103 HE2 HIS 16 HE2 HIS 16 -7.577 -5.719 -5.234 104 H ASN 17 HN ASN 17 -3.400 -5.007 -1.396 105 HA ASN 17 HA ASN 17 -5.822 -6.213 -0.731 106 HB2 ASN 17 HB2 ASN 17 -2.981 -6.740 0.112 107 HB3 ASN 17 HB1 ASN 17 -4.308 -7.738 0.680 108 HD21 ASN 17 HD21 ASN 17 -2.039 -8.444 -0.977 109 HD22 ASN 17 HD22 ASN 17 -2.684 -9.062 -2.458 110 H HIS 18 HN HIS 18 -3.482 -4.530 1.335 111 HA HIS 18 HA HIS 18 -4.825 -4.972 3.765 112 HB2 HIS 18 HB2 HIS 18 -2.516 -4.227 3.752 113 HB3 HIS 18 HB1 HIS 18 -2.963 -2.734 2.939 114 HD1 HIS 18 HD1 HIS 18 -3.606 -4.487 6.258 115 HD2 HIS 18 HD2 HIS 18 -3.440 -0.678 4.610 116 HE1 HIS 18 HE1 HIS 18 -3.913 -2.899 8.188 117 HE2 HIS 18 HE2 HIS 18 -3.792 -0.597 7.173 118 H CYS 19 HN CYS 19 -4.952 -2.214 1.522 119 HA CYS 19 HA CYS 19 -6.695 -0.719 3.191 120 HB2 CYS 19 HB2 CYS 19 -5.901 -0.381 0.306 121 HB3 CYS 19 HB1 CYS 19 -6.905 0.768 1.184 122 H LYS 20 HN LYS 20 -7.273 -2.879 0.440 123 HA LYS 20 HA LYS 20 -9.994 -2.082 0.112 124 HB2 LYS 20 HB2 LYS 20 -10.215 -3.859 -1.434 125 HB3 LYS 20 HB1 LYS 20 -8.575 -3.258 -1.629 126 HG2 LYS 20 HG2 LYS 20 -7.725 -5.118 -0.308 127 HG3 LYS 20 HG1 LYS 20 -9.370 -5.715 -0.082 128 HD2 LYS 20 HD2 LYS 20 -9.547 -5.850 -2.587 129 HD3 LYS 20 HD1 LYS 20 -7.817 -5.514 -2.653 130 HE2 LYS 20 HE2 LYS 20 -8.142 -7.883 -2.794 131 HE3 LYS 20 HE1 LYS 20 -7.432 -7.509 -1.228 132 HZ1 LYS 20 HZ1 LYS 20 -9.540 -7.783 -0.183 133 HZ2 LYS 20 HZ2 LYS 20 -9.277 -9.140 -1.155 134 HZ3 LYS 20 HZ3 LYS 20 -10.334 -7.928 -1.668 135 H SER 21 HN SER 21 -8.403 -3.998 2.404 136 HA SER 21 HA SER 21 -10.733 -5.570 3.109 137 HB2 SER 21 HB2 SER 21 -8.067 -5.313 4.522 138 HB3 SER 21 HB1 SER 21 -9.305 -6.527 4.840 139 HG SER 21 HG SER 21 -7.556 -6.274 2.659 140 H ILE 22 HN ILE 22 -9.737 -2.458 3.595 141 HA ILE 22 HA ILE 22 -10.957 -2.226 6.253 142 HB ILE 22 HB ILE 22 -9.495 -0.109 4.661 143 HG12 ILE 22 HG12 ILE 22 -8.474 -1.788 6.965 144 HG13 ILE 22 HG11 ILE 22 -8.008 -1.993 5.279 145 HG21 ILE 22 HG21 ILE 22 -10.329 -0.197 7.559 146 HG22 ILE 22 HG22 ILE 22 -11.073 0.781 6.294 147 HG23 ILE 22 HG23 ILE 22 -9.408 1.095 6.790 148 HD11 ILE 22 HD11 ILE 22 -6.328 -0.767 6.565 149 HD12 ILE 22 HD12 ILE 22 -7.525 0.479 6.930 150 HD13 ILE 22 HD13 ILE 22 -7.006 0.214 5.265 151 H LYS 23 HN LYS 23 -13.011 -1.575 6.379 152 HA LYS 23 HA LYS 23 -14.609 -0.887 4.202 153 HB2 LYS 23 HB2 LYS 23 -15.323 -1.680 6.529 154 HB3 LYS 23 HB1 LYS 23 -15.124 -0.008 7.028 155 HG2 LYS 23 HG2 LYS 23 -16.778 0.708 5.428 156 HG3 LYS 23 HG1 LYS 23 -16.967 -0.959 4.879 157 HD2 LYS 23 HD2 LYS 23 -17.995 -1.628 6.843 158 HD3 LYS 23 HD1 LYS 23 -17.321 -0.283 7.766 159 HE2 LYS 23 HE2 LYS 23 -18.758 1.265 6.575 160 HE3 LYS 23 HE1 LYS 23 -19.424 -0.059 5.626 161 HZ1 LYS 23 HZ1 LYS 23 -20.864 0.574 7.478 162 HZ2 LYS 23 HZ2 LYS 23 -19.636 0.198 8.575 163 HZ3 LYS 23 HZ3 LYS 23 -20.328 -1.022 7.629 164 H GLY 24 HN GLY 24 -15.068 0.998 3.225 165 HA2 GLY 24 HA2 GLY 24 -15.216 3.381 3.130 166 HA3 GLY 24 HA1 GLY 24 -13.980 3.471 4.378 167 H TYR 25 HN TYR 25 -12.579 1.238 2.738 168 HA TYR 25 HA TYR 25 -11.480 3.020 0.667 169 HB2 TYR 25 HB2 TYR 25 -9.916 1.082 2.387 170 HB3 TYR 25 HB1 TYR 25 -9.254 2.093 1.108 171 HD1 TYR 25 HD1 TYR 25 -9.800 1.840 4.578 172 HD2 TYR 25 HD2 TYR 25 -9.672 4.675 1.411 173 HE1 TYR 25 HE1 TYR 25 -9.402 3.638 6.207 174 HE2 TYR 25 HE2 TYR 25 -9.276 6.479 3.028 175 HH TYR 25 HH TYR 25 -9.607 6.951 5.386 176 H LYS 26 HN LYS 26 -10.660 2.000 -1.205 177 HA LYS 26 HA LYS 26 -11.645 -0.759 -1.567 178 HB2 LYS 26 HB2 LYS 26 -11.965 -0.139 -3.992 179 HB3 LYS 26 HB1 LYS 26 -13.086 0.604 -2.863 180 HG2 LYS 26 HG2 LYS 26 -10.633 2.103 -3.615 181 HG3 LYS 26 HG1 LYS 26 -11.935 1.973 -4.796 182 HD2 LYS 26 HD2 LYS 26 -12.366 2.921 -1.971 183 HD3 LYS 26 HD1 LYS 26 -11.996 4.012 -3.307 184 HE2 LYS 26 HE2 LYS 26 -13.979 3.222 -4.495 185 HE3 LYS 26 HE1 LYS 26 -14.351 2.136 -3.159 186 HZ1 LYS 26 HZ1 LYS 26 -14.602 4.052 -1.713 187 HZ2 LYS 26 HZ2 LYS 26 -15.651 4.166 -3.032 188 HZ3 LYS 26 HZ3 LYS 26 -14.242 5.096 -2.991 189 H GLY 27 HN GLY 27 -8.979 1.360 -1.753 190 HA2 GLY 27 HA2 GLY 27 -7.274 -0.812 -2.587 191 HA3 GLY 27 HA1 GLY 27 -7.405 0.475 -3.776 192 H GLY 28 HN GLY 28 -4.952 0.149 -3.042 193 HA2 GLY 28 HA2 GLY 28 -4.322 2.513 -1.524 194 HA3 GLY 28 HA1 GLY 28 -3.885 1.023 -0.701 195 H TYR 29 HN TYR 29 -2.033 3.006 -1.488 196 HA TYR 29 HA TYR 29 -0.304 1.396 -3.181 197 HB2 TYR 29 HB2 TYR 29 0.253 3.461 -4.586 198 HB3 TYR 29 HB1 TYR 29 -1.271 2.653 -4.934 199 HD1 TYR 29 HD1 TYR 29 -3.324 3.829 -4.781 200 HD2 TYR 29 HD2 TYR 29 0.225 5.566 -3.202 201 HE1 TYR 29 HE1 TYR 29 -4.508 5.960 -4.476 202 HE2 TYR 29 HE2 TYR 29 -0.953 7.700 -2.888 203 HH TYR 29 HH TYR 29 -4.287 7.997 -3.014 204 H CYS 30 HN CYS 30 1.925 1.987 -3.013 205 HA CYS 30 HA CYS 30 2.530 3.185 -0.455 206 HB2 CYS 30 HB2 CYS 30 4.537 2.171 -2.469 207 HB3 CYS 30 HB1 CYS 30 4.741 2.358 -0.738 208 H ALA 31 HN ALA 31 2.350 5.330 -0.474 209 HA ALA 31 HA ALA 31 3.580 6.871 -2.638 210 HB1 ALA 31 HB1 ALA 31 1.300 7.471 -1.970 211 HB2 ALA 31 HB2 ALA 31 2.427 8.789 -1.657 212 HB3 ALA 31 HB3 ALA 31 1.863 7.781 -0.327 213 H LYS 32 HN LYS 32 4.438 9.102 -1.526 214 HA LYS 32 HA LYS 32 6.169 10.101 -0.469 215 HB2 LYS 32 HB2 LYS 32 5.404 8.111 1.657 216 HB3 LYS 32 HB1 LYS 32 6.502 9.458 1.923 217 HG2 LYS 32 HG2 LYS 32 3.626 9.723 1.062 218 HG3 LYS 32 HG1 LYS 32 4.197 9.872 2.724 219 HD2 LYS 32 HD2 LYS 32 5.642 11.745 2.023 220 HD3 LYS 32 HD1 LYS 32 4.976 11.619 0.394 221 HE2 LYS 32 HE2 LYS 32 3.901 13.396 1.713 222 HE3 LYS 32 HE1 LYS 32 2.765 12.142 1.221 223 HZ1 LYS 32 HZ1 LYS 32 4.061 12.236 3.888 224 HZ2 LYS 32 HZ2 LYS 32 2.792 11.228 3.398 225 HZ3 LYS 32 HZ3 LYS 32 2.535 12.891 3.560 226 H GLY 33 HN GLY 33 7.050 8.395 -2.333 227 HA2 GLY 33 HA2 GLY 33 9.172 7.640 -2.931 228 HA3 GLY 33 HA1 GLY 33 9.615 7.602 -1.231 229 H GLY 34 HN GLY 34 6.658 6.083 -1.901 230 HA2 GLY 34 HA2 GLY 34 6.059 3.860 -2.180 231 HA3 GLY 34 HA1 GLY 34 7.747 3.480 -2.495 232 H PHE 35 HN PHE 35 6.685 5.195 0.364 233 HA PHE 35 HA PHE 35 7.485 2.841 1.934 234 HB2 PHE 35 HB2 PHE 35 7.803 5.775 2.580 235 HB3 PHE 35 HB1 PHE 35 8.096 4.486 3.739 236 HD1 PHE 35 HD1 PHE 35 9.382 6.307 0.886 237 HD2 PHE 35 HD2 PHE 35 9.985 2.948 3.425 238 HE1 PHE 35 HE1 PHE 35 11.709 6.142 0.106 239 HE2 PHE 35 HE2 PHE 35 12.311 2.776 2.650 240 HZ PHE 35 HZ PHE 35 13.177 4.374 0.989 241 H VAL 36 HN VAL 36 5.111 5.396 1.585 242 HA VAL 36 HA VAL 36 3.751 4.449 4.005 243 HB VAL 36 HB VAL 36 3.292 6.970 2.403 244 HG11 VAL 36 HG11 VAL 36 2.048 6.076 5.004 245 HG12 VAL 36 HG12 VAL 36 1.227 6.186 3.446 246 HG13 VAL 36 HG13 VAL 36 1.819 7.647 4.237 247 HG21 VAL 36 HG21 VAL 36 4.559 6.543 5.108 248 HG22 VAL 36 HG22 VAL 36 4.241 8.106 4.360 249 HG23 VAL 36 HG23 VAL 36 5.399 6.998 3.626 250 H CYS 37 HN CYS 37 2.357 2.889 3.643 251 HA CYS 37 HA CYS 37 0.957 2.518 1.182 252 HB2 CYS 37 HB2 CYS 37 1.465 0.600 2.581 253 HB3 CYS 37 HB1 CYS 37 0.585 1.303 3.931 254 H LYS 38 HN LYS 38 -0.346 4.204 0.639 255 HA LYS 38 HA LYS 38 -2.254 5.151 2.662 256 HB2 LYS 38 HB2 LYS 38 -0.791 6.779 1.299 257 HB3 LYS 38 HB1 LYS 38 -1.862 6.408 -0.040 258 HG2 LYS 38 HG2 LYS 38 -3.784 7.105 1.342 259 HG3 LYS 38 HG1 LYS 38 -2.663 7.576 2.618 260 HD2 LYS 38 HD2 LYS 38 -3.263 9.541 1.416 261 HD3 LYS 38 HD1 LYS 38 -1.598 9.144 0.989 262 HE2 LYS 38 HE2 LYS 38 -2.856 9.800 -0.984 263 HE3 LYS 38 HE1 LYS 38 -2.386 8.104 -1.084 264 HZ1 LYS 38 HZ1 LYS 38 -4.633 7.495 -0.364 265 HZ2 LYS 38 HZ2 LYS 38 -4.662 8.401 -1.793 266 HZ3 LYS 38 HZ3 LYS 38 -5.072 9.128 -0.323 267 H CYS 39 HN CYS 39 -4.425 5.215 2.221 268 HA CYS 39 HA CYS 39 -5.246 3.217 0.231 269 HB2 CYS 39 HB2 CYS 39 -6.758 4.146 2.677 270 HB3 CYS 39 HB1 CYS 39 -7.146 2.771 1.651 271 H TYR 40 HN TYR 40 -7.449 3.539 -0.678 272 HA TYR 40 HA TYR 40 -8.474 6.255 -0.581 273 HB2 TYR 40 HB2 TYR 40 -8.732 6.414 -3.017 274 HB3 TYR 40 HB1 TYR 40 -7.038 6.282 -2.571 275 HD1 TYR 40 HD1 TYR 40 -5.691 4.519 -3.412 276 HD2 TYR 40 HD2 TYR 40 -9.904 4.416 -3.981 277 HE1 TYR 40 HE1 TYR 40 -5.424 2.625 -4.945 278 HE2 TYR 40 HE2 TYR 40 -9.652 2.522 -5.525 279 HH TYR 40 HH TYR 40 -6.797 0.732 -5.800 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 5.288 0.160 6.138 2 H2 GLY 1 HT2 GLY 1 5.250 1.433 5.026 3 H3 GLY 1 HT3 GLY 1 5.624 -0.133 4.504 4 HA2 GLY 1 HA1 GLY 1 3.018 0.797 5.564 5 HA3 GLY 1 HA2 GLY 1 3.375 0.412 3.887 6 H PHE 2 HN PHE 2 1.486 -1.041 4.223 7 HA PHE 2 HA PHE 2 1.813 -3.310 5.931 8 HB2 PHE 2 HB2 PHE 2 -0.257 -2.795 3.790 9 HB3 PHE 2 HB1 PHE 2 -0.333 -4.060 5.010 10 HD1 PHE 2 HD1 PHE 2 -0.568 -3.421 7.414 11 HD2 PHE 2 HD2 PHE 2 -0.975 -0.605 4.250 12 HE1 PHE 2 HE1 PHE 2 -1.730 -1.880 8.941 13 HE2 PHE 2 HE2 PHE 2 -2.135 0.941 5.772 14 HZ PHE 2 HZ PHE 2 -2.518 0.305 8.119 15 H GLY 3 HN GLY 3 3.130 -2.528 3.069 16 HA2 GLY 3 HA2 GLY 3 4.014 -5.211 2.556 17 HA3 GLY 3 HA1 GLY 3 2.959 -4.576 1.297 18 H CYS 4 HN CYS 4 3.677 -1.953 1.228 19 HA CYS 4 HA CYS 4 6.247 -2.008 -0.036 20 HB2 CYS 4 HB2 CYS 4 4.620 0.428 0.691 21 HB3 CYS 4 HB1 CYS 4 5.842 0.283 -0.569 22 H ASN 5 HN ASN 5 8.167 -1.541 0.833 23 HA ASN 5 HA ASN 5 8.278 0.080 3.265 24 HB2 ASN 5 HB2 ASN 5 9.486 -2.677 2.987 25 HB3 ASN 5 HB1 ASN 5 10.008 -1.522 4.208 26 HD21 ASN 5 HD21 ASN 5 7.565 -3.754 3.242 27 HD22 ASN 5 HD22 ASN 5 6.610 -3.650 4.680 28 H GLY 6 HN GLY 6 8.824 1.176 0.971 29 HA2 GLY 6 HA2 GLY 6 10.713 2.654 0.600 30 HA3 GLY 6 HA1 GLY 6 11.771 1.288 0.930 31 HA PRO 7 HA PRO 7 10.701 2.115 -3.752 32 HB2 PRO 7 HB2 PRO 7 13.633 2.353 -3.867 33 HB3 PRO 7 HB1 PRO 7 12.397 3.359 -4.621 34 HG2 PRO 7 HG2 PRO 7 13.902 4.078 -2.442 35 HG3 PRO 7 HG1 PRO 7 12.338 4.790 -2.865 36 HD2 PRO 7 HD2 PRO 7 13.044 3.022 -0.658 37 HD3 PRO 7 HD1 PRO 7 11.580 3.991 -0.895 38 H TRP 8 HN TRP 8 13.313 0.511 -2.060 39 HA TRP 8 HA TRP 8 14.019 -1.377 -4.014 40 HB2 TRP 8 HB2 TRP 8 14.301 -2.208 -1.197 41 HB3 TRP 8 HB1 TRP 8 15.513 -2.114 -2.471 42 HD1 TRP 8 HD1 TRP 8 14.032 -0.148 0.404 43 HE1 TRP 8 HE1 TRP 8 15.420 1.991 0.776 44 HE3 TRP 8 HE3 TRP 8 16.973 -0.351 -3.773 45 HZ2 TRP 8 HZ2 TRP 8 17.482 3.404 -0.533 46 HZ3 TRP 8 HZ3 TRP 8 18.623 1.435 -4.141 47 HH2 TRP 8 HH2 TRP 8 18.870 3.274 -2.554 48 H ASN 9 HN ASN 9 11.386 -1.267 -1.784 49 HA ASN 9 HA ASN 9 10.516 -3.929 -2.603 50 HB2 ASN 9 HB2 ASN 9 11.782 -4.314 -0.552 51 HB3 ASN 9 HB1 ASN 9 10.856 -3.070 0.282 52 HD21 ASN 9 HD21 ASN 9 10.201 -4.533 1.852 53 HD22 ASN 9 HD22 ASN 9 9.000 -5.739 1.543 54 H GLU 10 HN GLU 10 8.980 -2.661 -3.792 55 HA GLU 10 HA GLU 10 6.915 -1.398 -2.110 56 HB2 GLU 10 HB2 GLU 10 7.591 -0.835 -5.003 57 HB3 GLU 10 HB1 GLU 10 6.278 -0.093 -4.107 58 HG2 GLU 10 HG2 GLU 10 7.918 0.909 -2.578 59 HG3 GLU 10 HG1 GLU 10 9.216 0.208 -3.545 60 H ASP 11 HN ASP 11 5.656 -3.229 -1.771 61 HA ASP 11 HA ASP 11 4.457 -4.410 -4.181 62 HB2 ASP 11 HB2 ASP 11 5.440 -5.974 -2.475 63 HB3 ASP 11 HB1 ASP 11 4.218 -5.414 -1.337 64 H ASP 12 HN ASP 12 2.935 -2.938 -4.739 65 HA ASP 12 HA ASP 12 1.303 -1.535 -2.892 66 HB2 ASP 12 HB2 ASP 12 0.777 -2.030 -5.832 67 HB3 ASP 12 HB1 ASP 12 0.026 -0.795 -4.836 68 H LEU 13 HN LEU 13 1.134 -4.674 -4.272 69 HA LEU 13 HA LEU 13 -1.650 -4.992 -4.468 70 HB2 LEU 13 HB2 LEU 13 0.552 -6.433 -5.171 71 HB3 LEU 13 HB1 LEU 13 -0.053 -7.370 -3.829 72 HG LEU 13 HG LEU 13 -0.988 -8.355 -5.756 73 HD11 LEU 13 HD11 LEU 13 -3.367 -8.021 -5.555 74 HD12 LEU 13 HD12 LEU 13 -3.106 -6.493 -4.715 75 HD13 LEU 13 HD13 LEU 13 -2.614 -8.007 -3.961 76 HD21 LEU 13 HD21 LEU 13 -1.760 -5.589 -6.666 77 HD22 LEU 13 HD22 LEU 13 -2.149 -7.093 -7.501 78 HD23 LEU 13 HD23 LEU 13 -0.468 -6.585 -7.335 79 H ARG 14 HN ARG 14 0.649 -6.059 -1.938 80 HA ARG 14 HA ARG 14 -1.120 -7.100 -0.097 81 HB2 ARG 14 HB2 ARG 14 1.533 -5.806 0.040 82 HB3 ARG 14 HB1 ARG 14 0.643 -5.867 1.551 83 HG2 ARG 14 HG2 ARG 14 2.098 -7.752 1.429 84 HG3 ARG 14 HG1 ARG 14 0.436 -8.306 1.262 85 HD2 ARG 14 HD2 ARG 14 1.950 -7.708 -1.212 86 HD3 ARG 14 HD1 ARG 14 2.367 -9.171 -0.321 87 HE ARG 14 HE ARG 14 -0.343 -9.266 -0.524 88 HH11 ARG 14 HH11 ARG 14 2.195 -8.797 -2.870 89 HH12 ARG 14 HH12 ARG 14 1.422 -9.755 -4.094 90 HH21 ARG 14 HH21 ARG 14 -1.384 -10.531 -2.133 91 HH22 ARG 14 HH22 ARG 14 -0.621 -10.742 -3.677 92 H CYS 15 HN CYS 15 -0.092 -3.689 -0.345 93 HA CYS 15 HA CYS 15 -1.701 -2.826 1.798 94 HB2 CYS 15 HB2 CYS 15 -0.385 -1.331 -0.471 95 HB3 CYS 15 HB1 CYS 15 -1.138 -0.576 0.920 96 H HIS 16 HN HIS 16 -2.186 -2.966 -1.697 97 HA HIS 16 HA HIS 16 -4.697 -1.734 -1.838 98 HB2 HIS 16 HB2 HIS 16 -3.654 -2.242 -3.900 99 HB3 HIS 16 HB1 HIS 16 -3.385 -3.920 -3.448 100 HD1 HIS 16 HD1 HIS 16 -6.333 -1.633 -4.223 101 HD2 HIS 16 HD2 HIS 16 -5.208 -5.620 -4.496 102 HE1 HIS 16 HE1 HIS 16 -8.263 -2.803 -5.317 103 HE2 HIS 16 HE2 HIS 16 -7.477 -5.167 -5.657 104 H ASN 17 HN ASN 17 -3.845 -5.137 -1.341 105 HA ASN 17 HA ASN 17 -6.438 -6.145 -1.082 106 HB2 ASN 17 HB2 ASN 17 -3.770 -7.092 -0.059 107 HB3 ASN 17 HB1 ASN 17 -5.244 -8.003 0.209 108 HD21 ASN 17 HD21 ASN 17 -2.906 -8.775 -1.255 109 HD22 ASN 17 HD22 ASN 17 -3.422 -9.110 -2.872 110 H HIS 18 HN HIS 18 -4.139 -5.035 1.357 111 HA HIS 18 HA HIS 18 -5.667 -5.621 3.618 112 HB2 HIS 18 HB2 HIS 18 -3.280 -5.022 3.698 113 HB3 HIS 18 HB1 HIS 18 -3.676 -3.378 3.228 114 HD1 HIS 18 HD1 HIS 18 -4.091 -5.778 6.119 115 HD2 HIS 18 HD2 HIS 18 -4.395 -1.733 5.257 116 HE1 HIS 18 HE1 HIS 18 -4.453 -4.639 8.333 117 HE2 HIS 18 HE2 HIS 18 -4.471 -2.186 7.802 118 H CYS 19 HN CYS 19 -5.491 -2.611 1.721 119 HA CYS 19 HA CYS 19 -7.328 -1.303 3.487 120 HB2 CYS 19 HB2 CYS 19 -5.918 -0.491 0.973 121 HB3 CYS 19 HB1 CYS 19 -7.198 0.518 1.646 122 H LYS 20 HN LYS 20 -7.678 -3.073 0.477 123 HA LYS 20 HA LYS 20 -10.310 -2.035 -0.023 124 HB2 LYS 20 HB2 LYS 20 -10.477 -3.561 -1.811 125 HB3 LYS 20 HB1 LYS 20 -8.787 -3.088 -1.776 126 HG2 LYS 20 HG2 LYS 20 -8.230 -5.175 -0.631 127 HG3 LYS 20 HG1 LYS 20 -9.928 -5.651 -0.678 128 HD2 LYS 20 HD2 LYS 20 -9.842 -5.505 -3.158 129 HD3 LYS 20 HD1 LYS 20 -8.112 -5.177 -3.042 130 HE2 LYS 20 HE2 LYS 20 -8.336 -7.489 -3.505 131 HE3 LYS 20 HE1 LYS 20 -7.892 -7.356 -1.805 132 HZ1 LYS 20 HZ1 LYS 20 -10.317 -7.558 -1.300 133 HZ2 LYS 20 HZ2 LYS 20 -9.612 -8.944 -1.958 134 HZ3 LYS 20 HZ3 LYS 20 -10.571 -7.942 -2.927 135 H SER 21 HN SER 21 -9.032 -4.168 2.213 136 HA SER 21 HA SER 21 -11.518 -5.639 2.591 137 HB2 SER 21 HB2 SER 21 -8.926 -5.784 4.152 138 HB3 SER 21 HB1 SER 21 -10.280 -6.907 4.268 139 HG SER 21 HG SER 21 -8.370 -6.600 2.237 140 H ILE 22 HN ILE 22 -10.169 -2.733 3.521 141 HA ILE 22 HA ILE 22 -11.545 -2.671 6.114 142 HB ILE 22 HB ILE 22 -9.539 -0.740 4.929 143 HG12 ILE 22 HG12 ILE 22 -9.259 -2.712 7.209 144 HG13 ILE 22 HG11 ILE 22 -8.574 -2.916 5.600 145 HG21 ILE 22 HG21 ILE 22 -11.127 0.403 6.382 146 HG22 ILE 22 HG22 ILE 22 -9.535 0.325 7.137 147 HG23 ILE 22 HG23 ILE 22 -10.815 -0.767 7.663 148 HD11 ILE 22 HD11 ILE 22 -6.887 -2.172 7.161 149 HD12 ILE 22 HD12 ILE 22 -7.863 -0.762 7.579 150 HD13 ILE 22 HD13 ILE 22 -7.196 -0.920 5.955 151 H LYS 23 HN LYS 23 -13.446 -1.659 6.255 152 HA LYS 23 HA LYS 23 -14.778 -0.504 4.102 153 HB2 LYS 23 HB2 LYS 23 -15.703 -1.360 6.355 154 HB3 LYS 23 HB1 LYS 23 -15.314 0.245 6.952 155 HG2 LYS 23 HG2 LYS 23 -16.791 1.253 5.328 156 HG3 LYS 23 HG1 LYS 23 -17.144 -0.338 4.651 157 HD2 LYS 23 HD2 LYS 23 -18.936 0.401 6.140 158 HD3 LYS 23 HD1 LYS 23 -18.129 -1.032 6.778 159 HE2 LYS 23 HE2 LYS 23 -16.834 0.368 8.302 160 HE3 LYS 23 HE1 LYS 23 -17.599 1.812 7.644 161 HZ1 LYS 23 HZ1 LYS 23 -18.984 -0.382 9.084 162 HZ2 LYS 23 HZ2 LYS 23 -19.732 0.990 8.437 163 HZ3 LYS 23 HZ3 LYS 23 -18.630 1.151 9.710 164 H GLY 24 HN GLY 24 -14.680 1.424 3.200 165 HA2 GLY 24 HA2 GLY 24 -14.540 3.849 3.433 166 HA3 GLY 24 HA1 GLY 24 -13.296 3.592 4.648 167 H TYR 25 HN TYR 25 -12.123 1.408 2.899 168 HA TYR 25 HA TYR 25 -10.888 3.163 0.869 169 HB2 TYR 25 HB2 TYR 25 -9.514 0.933 2.387 170 HB3 TYR 25 HB1 TYR 25 -8.779 1.973 1.179 171 HD1 TYR 25 HD1 TYR 25 -8.823 1.366 4.533 172 HD2 TYR 25 HD2 TYR 25 -9.255 4.616 1.827 173 HE1 TYR 25 HE1 TYR 25 -8.160 2.929 6.311 174 HE2 TYR 25 HE2 TYR 25 -8.588 6.187 3.592 175 HH TYR 25 HH TYR 25 -7.128 5.240 6.439 176 H LYS 26 HN LYS 26 -10.139 2.081 -1.071 177 HA LYS 26 HA LYS 26 -11.075 -0.692 -1.347 178 HB2 LYS 26 HB2 LYS 26 -11.774 -0.227 -3.689 179 HB3 LYS 26 HB1 LYS 26 -12.767 0.553 -2.471 180 HG2 LYS 26 HG2 LYS 26 -10.533 2.109 -3.643 181 HG3 LYS 26 HG1 LYS 26 -11.956 1.806 -4.641 182 HD2 LYS 26 HD2 LYS 26 -13.347 2.698 -2.746 183 HD3 LYS 26 HD1 LYS 26 -11.841 3.190 -1.967 184 HE2 LYS 26 HE2 LYS 26 -12.889 5.034 -3.209 185 HE3 LYS 26 HE1 LYS 26 -11.302 4.621 -3.846 186 HZ1 LYS 26 HZ1 LYS 26 -13.889 3.731 -4.999 187 HZ2 LYS 26 HZ2 LYS 26 -12.356 3.398 -5.629 188 HZ3 LYS 26 HZ3 LYS 26 -12.931 4.986 -5.603 189 H GLY 27 HN GLY 27 -8.470 1.262 -1.376 190 HA2 GLY 27 HA2 GLY 27 -6.805 -0.735 -2.485 191 HA3 GLY 27 HA1 GLY 27 -7.030 0.553 -3.659 192 H GLY 28 HN GLY 28 -4.529 0.134 -2.913 193 HA2 GLY 28 HA2 GLY 28 -3.835 2.596 -1.589 194 HA3 GLY 28 HA1 GLY 28 -3.388 1.158 -0.682 195 H TYR 29 HN TYR 29 -1.533 3.056 -1.675 196 HA TYR 29 HA TYR 29 0.094 1.300 -3.339 197 HB2 TYR 29 HB2 TYR 29 0.639 3.147 -4.913 198 HB3 TYR 29 HB1 TYR 29 -1.042 2.645 -5.011 199 HD1 TYR 29 HD1 TYR 29 -2.823 4.107 -4.128 200 HD2 TYR 29 HD2 TYR 29 1.243 5.353 -4.185 201 HE1 TYR 29 HE1 TYR 29 -3.537 6.435 -3.796 202 HE2 TYR 29 HE2 TYR 29 0.539 7.683 -3.849 203 HH TYR 29 HH TYR 29 -2.661 8.532 -2.975 204 H CYS 30 HN CYS 30 2.367 1.902 -3.331 205 HA CYS 30 HA CYS 30 3.158 2.866 -0.754 206 HB2 CYS 30 HB2 CYS 30 5.256 2.649 -2.812 207 HB3 CYS 30 HB1 CYS 30 5.169 1.945 -1.210 208 H ALA 31 HN ALA 31 2.823 4.980 -0.393 209 HA ALA 31 HA ALA 31 3.939 6.901 -2.326 210 HB1 ALA 31 HB1 ALA 31 1.791 7.336 -0.249 211 HB2 ALA 31 HB2 ALA 31 1.524 7.133 -1.981 212 HB3 ALA 31 HB3 ALA 31 2.396 8.543 -1.383 213 H LYS 32 HN LYS 32 4.263 9.093 -0.875 214 HA LYS 32 HA LYS 32 5.727 10.172 0.475 215 HB2 LYS 32 HB2 LYS 32 4.807 8.000 2.349 216 HB3 LYS 32 HB1 LYS 32 5.690 9.433 2.857 217 HG2 LYS 32 HG2 LYS 32 2.965 9.390 1.568 218 HG3 LYS 32 HG1 LYS 32 3.301 9.653 3.280 219 HD2 LYS 32 HD2 LYS 32 4.616 11.661 2.663 220 HD3 LYS 32 HD1 LYS 32 4.143 11.416 0.982 221 HE2 LYS 32 HE2 LYS 32 1.793 11.666 1.603 222 HE3 LYS 32 HE1 LYS 32 2.258 11.891 3.289 223 HZ1 LYS 32 HZ1 LYS 32 1.885 14.021 2.332 224 HZ2 LYS 32 HZ2 LYS 32 2.880 13.681 1.008 225 HZ3 LYS 32 HZ3 LYS 32 3.556 13.856 2.547 226 H GLY 33 HN GLY 33 7.176 8.823 -1.237 227 HA2 GLY 33 HA2 GLY 33 9.479 8.381 -1.337 228 HA3 GLY 33 HA1 GLY 33 9.456 7.966 0.370 229 H GLY 34 HN GLY 34 6.886 6.407 -0.877 230 HA2 GLY 34 HA2 GLY 34 6.624 4.318 -1.944 231 HA3 GLY 34 HA1 GLY 34 8.369 4.106 -1.907 232 H PHE 35 HN PHE 35 6.857 5.187 0.977 233 HA PHE 35 HA PHE 35 7.290 2.518 2.131 234 HB2 PHE 35 HB2 PHE 35 7.466 5.246 3.432 235 HB3 PHE 35 HB1 PHE 35 7.574 3.729 4.313 236 HD1 PHE 35 HD1 PHE 35 9.242 5.900 1.863 237 HD2 PHE 35 HD2 PHE 35 9.583 2.453 4.333 238 HE1 PHE 35 HE1 PHE 35 11.666 5.847 1.448 239 HE2 PHE 35 HE2 PHE 35 12.008 2.395 3.924 240 HZ PHE 35 HZ PHE 35 13.061 4.111 2.538 241 H VAL 36 HN VAL 36 5.307 5.439 2.584 242 HA VAL 36 HA VAL 36 3.417 4.001 4.213 243 HB VAL 36 HB VAL 36 3.273 6.819 3.122 244 HG11 VAL 36 HG11 VAL 36 1.592 7.178 4.887 245 HG12 VAL 36 HG12 VAL 36 1.647 5.458 5.267 246 HG13 VAL 36 HG13 VAL 36 1.068 5.995 3.689 247 HG21 VAL 36 HG21 VAL 36 4.147 5.818 5.829 248 HG22 VAL 36 HG22 VAL 36 3.981 7.509 5.359 249 HG23 VAL 36 HG23 VAL 36 5.196 6.494 4.585 250 H CYS 37 HN CYS 37 1.931 2.719 3.338 251 HA CYS 37 HA CYS 37 1.147 2.957 0.608 252 HB2 CYS 37 HB2 CYS 37 0.158 1.229 2.876 253 HB3 CYS 37 HB1 CYS 37 -0.417 1.114 1.226 254 H LYS 38 HN LYS 38 0.148 4.894 0.291 255 HA LYS 38 HA LYS 38 -1.951 5.820 2.014 256 HB2 LYS 38 HB2 LYS 38 -0.347 7.164 0.467 257 HB3 LYS 38 HB1 LYS 38 -1.537 6.844 -0.773 258 HG2 LYS 38 HG2 LYS 38 -2.192 8.154 1.838 259 HG3 LYS 38 HG1 LYS 38 -1.733 9.044 0.388 260 HD2 LYS 38 HD2 LYS 38 -3.647 7.618 -0.707 261 HD3 LYS 38 HD1 LYS 38 -4.209 7.488 0.963 262 HE2 LYS 38 HE2 LYS 38 -4.133 9.935 1.148 263 HE3 LYS 38 HE1 LYS 38 -3.637 10.021 -0.539 264 HZ1 LYS 38 HZ1 LYS 38 -5.995 10.420 -0.325 265 HZ2 LYS 38 HZ2 LYS 38 -6.218 8.945 0.463 266 HZ3 LYS 38 HZ3 LYS 38 -5.736 8.973 -1.159 267 H CYS 39 HN CYS 39 -4.017 5.474 1.837 268 HA CYS 39 HA CYS 39 -4.872 3.668 -0.313 269 HB2 CYS 39 HB2 CYS 39 -5.741 3.730 2.578 270 HB3 CYS 39 HB1 CYS 39 -6.470 2.707 1.341 271 H TYR 40 HN TYR 40 -6.865 3.881 -1.214 272 HA TYR 40 HA TYR 40 -8.141 6.483 -0.750 273 HB2 TYR 40 HB2 TYR 40 -8.798 6.340 -3.203 274 HB3 TYR 40 HB1 TYR 40 -7.101 6.646 -2.866 275 HD1 TYR 40 HD1 TYR 40 -5.408 5.055 -3.499 276 HD2 TYR 40 HD2 TYR 40 -9.523 4.150 -4.063 277 HE1 TYR 40 HE1 TYR 40 -4.786 3.139 -4.901 278 HE2 TYR 40 HE2 TYR 40 -8.912 2.230 -5.468 279 HH TYR 40 HH TYR 40 -5.723 1.022 -5.652 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 5.823 -1.072 7.155 2 H2 GLY 1 HT2 GLY 1 6.458 0.048 6.063 3 H3 GLY 1 HT3 GLY 1 6.545 -1.607 5.723 4 HA2 GLY 1 HA1 GLY 1 4.058 -0.003 5.912 5 HA3 GLY 1 HA2 GLY 1 4.809 -0.549 4.419 6 H PHE 2 HN PHE 2 2.677 -1.553 4.071 7 HA PHE 2 HA PHE 2 2.351 -4.033 5.574 8 HB2 PHE 2 HB2 PHE 2 0.304 -2.426 4.043 9 HB3 PHE 2 HB1 PHE 2 -0.013 -4.000 4.766 10 HD1 PHE 2 HD1 PHE 2 0.055 -4.257 7.227 11 HD2 PHE 2 HD2 PHE 2 0.310 -0.449 5.344 12 HE1 PHE 2 HE1 PHE 2 -0.518 -3.171 9.356 13 HE2 PHE 2 HE2 PHE 2 -0.261 0.643 7.476 14 HZ PHE 2 HZ PHE 2 -0.676 -0.718 9.483 15 H GLY 3 HN GLY 3 4.086 -4.813 4.154 16 HA2 GLY 3 HA2 GLY 3 4.390 -6.470 2.464 17 HA3 GLY 3 HA1 GLY 3 3.019 -5.786 1.595 18 H CYS 4 HN CYS 4 3.475 -3.234 1.355 19 HA CYS 4 HA CYS 4 5.934 -2.967 -0.158 20 HB2 CYS 4 HB2 CYS 4 4.043 -1.959 -1.186 21 HB3 CYS 4 HB1 CYS 4 3.555 -1.176 0.312 22 H ASN 5 HN ASN 5 7.728 -1.978 0.567 23 HA ASN 5 HA ASN 5 7.561 -0.519 3.110 24 HB2 ASN 5 HB2 ASN 5 9.467 -2.788 2.505 25 HB3 ASN 5 HB1 ASN 5 9.633 -1.700 3.879 26 HD21 ASN 5 HD21 ASN 5 7.869 -4.338 2.513 27 HD22 ASN 5 HD22 ASN 5 6.957 -4.730 3.927 28 H GLY 6 HN GLY 6 7.874 0.412 0.394 29 HA2 GLY 6 HA2 GLY 6 9.145 2.510 0.122 30 HA3 GLY 6 HA1 GLY 6 10.557 1.620 0.664 31 HA PRO 7 HA PRO 7 10.035 2.052 -4.104 32 HB2 PRO 7 HB2 PRO 7 12.764 2.700 -4.299 33 HB3 PRO 7 HB1 PRO 7 11.405 3.819 -4.407 34 HG2 PRO 7 HG2 PRO 7 13.139 3.163 -2.073 35 HG3 PRO 7 HG1 PRO 7 12.425 4.717 -2.541 36 HD2 PRO 7 HD2 PRO 7 11.400 3.313 -0.533 37 HD3 PRO 7 HD1 PRO 7 10.334 4.153 -1.682 38 H TRP 8 HN TRP 8 12.410 0.523 -2.024 39 HA TRP 8 HA TRP 8 13.538 -1.154 -4.035 40 HB2 TRP 8 HB2 TRP 8 14.719 -2.238 -2.242 41 HB3 TRP 8 HB1 TRP 8 14.693 -0.512 -1.904 42 HD1 TRP 8 HD1 TRP 8 12.599 0.214 -0.102 43 HE1 TRP 8 HE1 TRP 8 11.929 -1.001 2.064 44 HE3 TRP 8 HE3 TRP 8 14.649 -4.361 -1.086 45 HZ2 TRP 8 HZ2 TRP 8 12.232 -3.564 3.201 46 HZ3 TRP 8 HZ3 TRP 8 14.412 -6.143 0.595 47 HH2 TRP 8 HH2 TRP 8 13.229 -5.751 2.693 48 H ASN 9 HN ASN 9 10.645 -1.265 -2.246 49 HA ASN 9 HA ASN 9 9.972 -3.898 -3.197 50 HB2 ASN 9 HB2 ASN 9 11.352 -4.412 -1.210 51 HB3 ASN 9 HB1 ASN 9 10.295 -3.412 -0.223 52 HD21 ASN 9 HD21 ASN 9 9.839 -5.165 1.116 53 HD22 ASN 9 HD22 ASN 9 8.777 -6.437 0.625 54 H GLU 10 HN GLU 10 8.581 -1.982 -4.049 55 HA GLU 10 HA GLU 10 6.460 -1.221 -2.207 56 HB2 GLU 10 HB2 GLU 10 6.727 -0.538 -5.140 57 HB3 GLU 10 HB1 GLU 10 5.598 0.169 -4.003 58 HG2 GLU 10 HG2 GLU 10 7.449 1.154 -2.765 59 HG3 GLU 10 HG1 GLU 10 8.588 0.433 -3.901 60 H ASP 11 HN ASP 11 5.784 -3.491 -1.946 61 HA ASP 11 HA ASP 11 4.479 -4.782 -4.141 62 HB2 ASP 11 HB2 ASP 11 5.375 -5.947 -2.058 63 HB3 ASP 11 HB1 ASP 11 3.956 -5.324 -1.219 64 H ASP 12 HN ASP 12 2.938 -3.573 -5.052 65 HA ASP 12 HA ASP 12 1.236 -1.820 -3.615 66 HB2 ASP 12 HB2 ASP 12 0.287 -1.261 -5.688 67 HB3 ASP 12 HB1 ASP 12 1.935 -1.718 -6.092 68 H LEU 13 HN LEU 13 1.022 -5.118 -4.630 69 HA LEU 13 HA LEU 13 -1.754 -5.479 -4.533 70 HB2 LEU 13 HB2 LEU 13 -0.060 -7.045 -5.515 71 HB3 LEU 13 HB1 LEU 13 0.357 -7.535 -3.893 72 HG LEU 13 HG LEU 13 -1.281 -9.007 -5.284 73 HD11 LEU 13 HD11 LEU 13 -0.695 -9.343 -2.924 74 HD12 LEU 13 HD12 LEU 13 -2.370 -9.754 -3.292 75 HD13 LEU 13 HD13 LEU 13 -1.996 -8.235 -2.476 76 HD21 LEU 13 HD21 LEU 13 -3.185 -6.936 -4.219 77 HD22 LEU 13 HD22 LEU 13 -3.614 -8.431 -5.047 78 HD23 LEU 13 HD23 LEU 13 -2.767 -7.154 -5.918 79 H ARG 14 HN ARG 14 0.700 -6.224 -2.074 80 HA ARG 14 HA ARG 14 -1.024 -7.104 -0.064 81 HB2 ARG 14 HB2 ARG 14 1.612 -5.642 0.155 82 HB3 ARG 14 HB1 ARG 14 0.781 -6.353 1.526 83 HG2 ARG 14 HG2 ARG 14 1.778 -7.852 -0.886 84 HG3 ARG 14 HG1 ARG 14 2.569 -7.788 0.689 85 HD2 ARG 14 HD2 ARG 14 -0.159 -8.929 0.109 86 HD3 ARG 14 HD1 ARG 14 1.305 -9.852 0.427 87 HE ARG 14 HE ARG 14 -0.029 -8.116 2.406 88 HH11 ARG 14 HH11 ARG 14 1.885 -10.933 1.594 89 HH12 ARG 14 HH12 ARG 14 1.928 -11.529 3.221 90 HH21 ARG 14 HH21 ARG 14 0.020 -8.896 4.546 91 HH22 ARG 14 HH22 ARG 14 0.862 -10.369 4.903 92 H CYS 15 HN CYS 15 0.314 -3.811 -0.398 93 HA CYS 15 HA CYS 15 -1.184 -2.685 1.662 94 HB2 CYS 15 HB2 CYS 15 0.082 -1.454 -0.784 95 HB3 CYS 15 HB1 CYS 15 -0.566 -0.541 0.564 96 H HIS 16 HN HIS 16 -1.909 -3.100 -1.762 97 HA HIS 16 HA HIS 16 -4.342 -1.716 -1.889 98 HB2 HIS 16 HB2 HIS 16 -3.502 -2.484 -3.938 99 HB3 HIS 16 HB1 HIS 16 -3.188 -4.094 -3.322 100 HD1 HIS 16 HD1 HIS 16 -5.985 -1.946 -4.659 101 HD2 HIS 16 HD2 HIS 16 -5.220 -5.913 -3.651 102 HE1 HIS 16 HE1 HIS 16 -7.960 -3.250 -5.503 103 HE2 HIS 16 HE2 HIS 16 -7.532 -5.627 -4.786 104 H ASN 17 HN ASN 17 -3.678 -5.096 -1.058 105 HA ASN 17 HA ASN 17 -6.353 -5.776 -0.458 106 HB2 ASN 17 HB2 ASN 17 -3.694 -7.023 0.169 107 HB3 ASN 17 HB1 ASN 17 -5.183 -7.718 0.777 108 HD21 ASN 17 HD21 ASN 17 -3.376 -8.962 -0.984 109 HD22 ASN 17 HD22 ASN 17 -4.163 -9.213 -2.509 110 H HIS 18 HN HIS 18 -3.755 -4.405 1.444 111 HA HIS 18 HA HIS 18 -4.885 -4.709 3.993 112 HB2 HIS 18 HB2 HIS 18 -2.608 -3.966 3.824 113 HB3 HIS 18 HB1 HIS 18 -3.074 -2.568 2.865 114 HD1 HIS 18 HD1 HIS 18 -3.813 -3.897 6.371 115 HD2 HIS 18 HD2 HIS 18 -3.199 -0.327 4.336 116 HE1 HIS 18 HE1 HIS 18 -3.937 -2.091 8.116 117 HE2 HIS 18 HE2 HIS 18 -3.704 0.067 6.841 118 H CYS 19 HN CYS 19 -5.304 -2.196 1.543 119 HA CYS 19 HA CYS 19 -7.143 -0.702 3.153 120 HB2 CYS 19 HB2 CYS 19 -6.418 -0.537 0.230 121 HB3 CYS 19 HB1 CYS 19 -7.526 0.571 1.025 122 H LYS 20 HN LYS 20 -7.387 -3.469 1.193 123 HA LYS 20 HA LYS 20 -10.193 -3.250 0.643 124 HB2 LYS 20 HB2 LYS 20 -8.327 -5.619 0.635 125 HB3 LYS 20 HB1 LYS 20 -10.019 -5.715 0.177 126 HG2 LYS 20 HG2 LYS 20 -7.962 -3.994 -1.187 127 HG3 LYS 20 HG1 LYS 20 -8.491 -5.576 -1.749 128 HD2 LYS 20 HD2 LYS 20 -10.301 -3.194 -1.368 129 HD3 LYS 20 HD1 LYS 20 -9.603 -3.690 -2.910 130 HE2 LYS 20 HE2 LYS 20 -10.710 -5.876 -2.665 131 HE3 LYS 20 HE1 LYS 20 -11.471 -5.305 -1.183 132 HZ1 LYS 20 HZ1 LYS 20 -11.847 -4.114 -3.875 133 HZ2 LYS 20 HZ2 LYS 20 -12.591 -3.593 -2.450 134 HZ3 LYS 20 HZ3 LYS 20 -12.953 -5.117 -3.082 135 H SER 21 HN SER 21 -8.222 -4.314 3.283 136 HA SER 21 HA SER 21 -10.284 -5.676 4.715 137 HB2 SER 21 HB2 SER 21 -7.760 -4.404 5.811 138 HB3 SER 21 HB1 SER 21 -8.722 -5.672 6.571 139 HG SER 21 HG SER 21 -8.163 -7.035 4.802 140 H ILE 22 HN ILE 22 -9.476 -2.409 4.156 141 HA ILE 22 HA ILE 22 -11.041 -1.461 6.439 142 HB ILE 22 HB ILE 22 -9.462 0.216 4.485 143 HG12 ILE 22 HG12 ILE 22 -8.551 -0.812 7.181 144 HG13 ILE 22 HG11 ILE 22 -7.994 -1.440 5.634 145 HG21 ILE 22 HG21 ILE 22 -11.146 1.414 5.763 146 HG22 ILE 22 HG22 ILE 22 -9.529 1.872 6.301 147 HG23 ILE 22 HG23 ILE 22 -10.498 0.758 7.267 148 HD11 ILE 22 HD11 ILE 22 -7.036 0.739 5.099 149 HD12 ILE 22 HD12 ILE 22 -6.381 0.094 6.604 150 HD13 ILE 22 HD13 ILE 22 -7.603 1.367 6.646 151 H LYS 23 HN LYS 23 -12.992 -0.501 6.140 152 HA LYS 23 HA LYS 23 -14.243 -0.801 3.585 153 HB2 LYS 23 HB2 LYS 23 -15.592 -1.298 5.446 154 HB3 LYS 23 HB1 LYS 23 -15.184 0.204 6.260 155 HG2 LYS 23 HG2 LYS 23 -16.466 1.457 4.662 156 HG3 LYS 23 HG1 LYS 23 -16.799 -0.001 3.730 157 HD2 LYS 23 HD2 LYS 23 -17.683 0.502 6.574 158 HD3 LYS 23 HD1 LYS 23 -18.704 0.657 5.145 159 HE2 LYS 23 HE2 LYS 23 -18.291 -1.741 4.651 160 HE3 LYS 23 HE1 LYS 23 -17.390 -1.861 6.160 161 HZ1 LYS 23 HZ1 LYS 23 -19.397 -1.222 7.355 162 HZ2 LYS 23 HZ2 LYS 23 -19.650 -2.621 6.442 163 HZ3 LYS 23 HZ3 LYS 23 -20.258 -1.140 5.900 164 H GLY 24 HN GLY 24 -14.817 0.704 2.145 165 HA2 GLY 24 HA2 GLY 24 -15.392 2.950 1.530 166 HA3 GLY 24 HA1 GLY 24 -14.314 3.531 2.787 167 H TYR 25 HN TYR 25 -12.343 1.372 1.719 168 HA TYR 25 HA TYR 25 -11.277 3.132 -0.390 169 HB2 TYR 25 HB2 TYR 25 -9.700 1.398 1.515 170 HB3 TYR 25 HB1 TYR 25 -9.050 2.561 0.364 171 HD1 TYR 25 HD1 TYR 25 -9.960 2.046 3.708 172 HD2 TYR 25 HD2 TYR 25 -9.940 5.040 0.689 173 HE1 TYR 25 HE1 TYR 25 -10.066 3.783 5.442 174 HE2 TYR 25 HE2 TYR 25 -10.044 6.788 2.416 175 HH TYR 25 HH TYR 25 -9.517 6.124 5.731 176 H LYS 26 HN LYS 26 -10.404 2.238 -2.228 177 HA LYS 26 HA LYS 26 -11.203 -0.518 -2.768 178 HB2 LYS 26 HB2 LYS 26 -9.876 1.207 -4.820 179 HB3 LYS 26 HB1 LYS 26 -11.117 -0.016 -5.030 180 HG2 LYS 26 HG2 LYS 26 -11.522 2.731 -3.872 181 HG3 LYS 26 HG1 LYS 26 -11.957 2.216 -5.498 182 HD2 LYS 26 HD2 LYS 26 -13.498 0.544 -4.500 183 HD3 LYS 26 HD1 LYS 26 -13.114 1.207 -2.908 184 HE2 LYS 26 HE2 LYS 26 -13.945 3.385 -3.596 185 HE3 LYS 26 HE1 LYS 26 -14.296 2.755 -5.204 186 HZ1 LYS 26 HZ1 LYS 26 -15.887 1.226 -4.205 187 HZ2 LYS 26 HZ2 LYS 26 -16.284 2.829 -3.858 188 HZ3 LYS 26 HZ3 LYS 26 -15.565 1.863 -2.674 189 H GLY 27 HN GLY 27 -8.349 1.399 -2.268 190 HA2 GLY 27 HA2 GLY 27 -6.672 -0.872 -2.038 191 HA3 GLY 27 HA1 GLY 27 -6.419 -0.085 -3.589 192 H GLY 28 HN GLY 28 -4.214 0.106 -2.573 193 HA2 GLY 28 HA2 GLY 28 -4.004 2.692 -1.235 194 HA3 GLY 28 HA1 GLY 28 -3.325 1.301 -0.402 195 H TYR 29 HN TYR 29 -1.821 3.556 -1.218 196 HA TYR 29 HA TYR 29 -0.049 2.288 -3.184 197 HB2 TYR 29 HB2 TYR 29 0.276 4.740 -4.075 198 HB3 TYR 29 HB1 TYR 29 -1.046 3.745 -4.671 199 HD1 TYR 29 HD1 TYR 29 -3.308 4.361 -4.306 200 HD2 TYR 29 HD2 TYR 29 -0.192 6.532 -2.389 201 HE1 TYR 29 HE1 TYR 29 -4.926 6.089 -3.650 202 HE2 TYR 29 HE2 TYR 29 -1.803 8.267 -1.728 203 HH TYR 29 HH TYR 29 -5.200 7.826 -1.996 204 H CYS 30 HN CYS 30 2.117 2.755 -2.963 205 HA CYS 30 HA CYS 30 2.925 3.464 -0.319 206 HB2 CYS 30 HB2 CYS 30 4.779 3.096 -2.676 207 HB3 CYS 30 HB1 CYS 30 5.106 2.819 -0.971 208 H ALA 31 HN ALA 31 2.494 5.557 0.119 209 HA ALA 31 HA ALA 31 3.697 7.609 -1.617 210 HB1 ALA 31 HB1 ALA 31 1.281 7.820 -1.382 211 HB2 ALA 31 HB2 ALA 31 2.095 9.170 -0.594 212 HB3 ALA 31 HB3 ALA 31 1.438 7.851 0.373 213 H LYS 32 HN LYS 32 3.826 9.714 0.073 214 HA LYS 32 HA LYS 32 5.271 10.727 1.496 215 HB2 LYS 32 HB2 LYS 32 4.441 8.367 3.171 216 HB3 LYS 32 HB1 LYS 32 5.321 9.747 3.803 217 HG2 LYS 32 HG2 LYS 32 2.578 9.833 2.556 218 HG3 LYS 32 HG1 LYS 32 2.924 9.870 4.286 219 HD2 LYS 32 HD2 LYS 32 3.876 11.925 2.290 220 HD3 LYS 32 HD1 LYS 32 2.468 12.111 3.334 221 HE2 LYS 32 HE2 LYS 32 3.868 11.989 5.303 222 HE3 LYS 32 HE1 LYS 32 5.287 11.665 4.311 223 HZ1 LYS 32 HZ1 LYS 32 3.683 14.161 4.244 224 HZ2 LYS 32 HZ2 LYS 32 5.065 13.848 3.324 225 HZ3 LYS 32 HZ3 LYS 32 5.182 13.978 5.006 226 H GLY 33 HN GLY 33 6.860 9.910 -0.218 227 HA2 GLY 33 HA2 GLY 33 9.149 9.469 -0.405 228 HA3 GLY 33 HA1 GLY 33 9.119 8.744 1.196 229 H GLY 34 HN GLY 34 6.579 7.381 -0.174 230 HA2 GLY 34 HA2 GLY 34 6.246 5.548 -1.612 231 HA3 GLY 34 HA1 GLY 34 7.989 5.385 -1.771 232 H PHE 35 HN PHE 35 6.985 5.810 1.438 233 HA PHE 35 HA PHE 35 7.423 2.939 1.895 234 HB2 PHE 35 HB2 PHE 35 8.043 5.337 3.616 235 HB3 PHE 35 HB1 PHE 35 8.080 3.693 4.238 236 HD1 PHE 35 HD1 PHE 35 9.605 5.961 1.740 237 HD2 PHE 35 HD2 PHE 35 9.949 2.323 3.918 238 HE1 PHE 35 HE1 PHE 35 11.932 5.727 0.978 239 HE2 PHE 35 HE2 PHE 35 12.275 2.083 3.159 240 HZ PHE 35 HZ PHE 35 13.269 3.786 1.686 241 H VAL 36 HN VAL 36 5.182 5.526 2.367 242 HA VAL 36 HA VAL 36 3.735 3.984 4.403 243 HB VAL 36 HB VAL 36 3.272 6.838 3.521 244 HG11 VAL 36 HG11 VAL 36 2.126 5.280 5.837 245 HG12 VAL 36 HG12 VAL 36 1.256 5.782 4.389 246 HG13 VAL 36 HG13 VAL 36 1.860 6.994 5.518 247 HG21 VAL 36 HG21 VAL 36 4.639 5.763 5.988 248 HG22 VAL 36 HG22 VAL 36 4.282 7.460 5.668 249 HG23 VAL 36 HG23 VAL 36 5.423 6.589 4.641 250 H CYS 37 HN CYS 37 2.427 2.557 3.499 251 HA CYS 37 HA CYS 37 1.144 2.920 0.994 252 HB2 CYS 37 HB2 CYS 37 0.883 0.905 3.213 253 HB3 CYS 37 HB1 CYS 37 -0.092 0.836 1.762 254 H LYS 38 HN LYS 38 -0.159 4.698 1.015 255 HA LYS 38 HA LYS 38 -2.175 4.938 3.109 256 HB2 LYS 38 HB2 LYS 38 -0.853 6.916 2.209 257 HB3 LYS 38 HB1 LYS 38 -1.810 6.770 0.749 258 HG2 LYS 38 HG2 LYS 38 -3.856 7.053 2.078 259 HG3 LYS 38 HG1 LYS 38 -2.871 7.267 3.522 260 HD2 LYS 38 HD2 LYS 38 -3.449 9.423 2.811 261 HD3 LYS 38 HD1 LYS 38 -1.771 9.202 2.317 262 HE2 LYS 38 HE2 LYS 38 -2.906 10.240 0.505 263 HE3 LYS 38 HE1 LYS 38 -2.632 8.562 0.050 264 HZ1 LYS 38 HZ1 LYS 38 -4.861 9.251 -0.533 265 HZ2 LYS 38 HZ2 LYS 38 -5.185 9.693 1.066 266 HZ3 LYS 38 HZ3 LYS 38 -4.930 8.066 0.674 267 H CYS 39 HN CYS 39 -4.338 4.889 2.719 268 HA CYS 39 HA CYS 39 -5.176 3.381 0.396 269 HB2 CYS 39 HB2 CYS 39 -6.768 4.524 2.706 270 HB3 CYS 39 HB1 CYS 39 -7.414 3.462 1.460 271 H TYR 40 HN TYR 40 -7.158 4.217 -0.815 272 HA TYR 40 HA TYR 40 -6.520 6.412 -2.301 273 HB2 TYR 40 HB2 TYR 40 -9.212 5.202 -1.736 274 HB3 TYR 40 HB1 TYR 40 -9.005 6.544 -2.851 275 HD1 TYR 40 HD1 TYR 40 -6.130 4.523 -3.010 276 HD2 TYR 40 HD2 TYR 40 -10.190 4.663 -4.261 277 HE1 TYR 40 HE1 TYR 40 -5.624 2.928 -4.809 278 HE2 TYR 40 HE2 TYR 40 -9.698 3.073 -6.055 279 HH TYR 40 HH TYR 40 -7.765 2.303 -7.368 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 5.746 -5.810 7.715 2 H2 GLY 1 HT2 GLY 1 4.613 -5.228 8.827 3 H3 GLY 1 HT3 GLY 1 6.116 -4.467 8.673 4 HA2 GLY 1 HA1 GLY 1 4.421 -3.160 7.588 5 HA3 GLY 1 HA2 GLY 1 5.583 -3.784 6.425 6 H PHE 2 HN PHE 2 3.351 -3.039 5.304 7 HA PHE 2 HA PHE 2 1.758 -5.466 4.960 8 HB2 PHE 2 HB2 PHE 2 0.880 -2.633 4.381 9 HB3 PHE 2 HB1 PHE 2 -0.124 -4.077 4.338 10 HD1 PHE 2 HD1 PHE 2 -0.400 -5.366 6.551 11 HD2 PHE 2 HD2 PHE 2 1.004 -1.357 6.303 12 HE1 PHE 2 HE1 PHE 2 -1.006 -5.010 8.911 13 HE2 PHE 2 HE2 PHE 2 0.403 -0.993 8.660 14 HZ PHE 2 HZ PHE 2 -0.603 -2.820 9.969 15 H GLY 3 HN GLY 3 3.997 -5.548 3.590 16 HA2 GLY 3 HA2 GLY 3 4.603 -6.073 1.403 17 HA3 GLY 3 HA1 GLY 3 3.124 -5.309 0.837 18 H CYS 4 HN CYS 4 3.304 -2.818 1.852 19 HA CYS 4 HA CYS 4 5.201 -1.561 0.138 20 HB2 CYS 4 HB2 CYS 4 3.013 -0.560 0.625 21 HB3 CYS 4 HB1 CYS 4 3.454 -0.402 2.321 22 H ASN 5 HN ASN 5 7.287 -2.033 0.716 23 HA ASN 5 HA ASN 5 8.080 -1.456 3.497 24 HB2 ASN 5 HB2 ASN 5 9.210 -3.327 1.431 25 HB3 ASN 5 HB1 ASN 5 10.173 -2.808 2.807 26 HD21 ASN 5 HD21 ASN 5 6.723 -3.321 2.999 27 HD22 ASN 5 HD22 ASN 5 6.797 -4.741 3.981 28 H GLY 6 HN GLY 6 7.989 0.104 0.696 29 HA2 GLY 6 HA2 GLY 6 9.303 2.276 0.912 30 HA3 GLY 6 HA1 GLY 6 10.707 1.217 0.920 31 HA PRO 7 HA PRO 7 9.428 2.558 -3.466 32 HB2 PRO 7 HB2 PRO 7 11.871 3.646 -4.088 33 HB3 PRO 7 HB1 PRO 7 10.500 4.566 -3.472 34 HG2 PRO 7 HG2 PRO 7 12.872 3.498 -2.003 35 HG3 PRO 7 HG1 PRO 7 12.066 5.068 -1.838 36 HD2 PRO 7 HD2 PRO 7 11.653 3.082 -0.082 37 HD3 PRO 7 HD1 PRO 7 10.350 4.194 -0.550 38 H TRP 8 HN TRP 8 12.142 0.984 -1.997 39 HA TRP 8 HA TRP 8 13.120 -0.313 -4.346 40 HB2 TRP 8 HB2 TRP 8 14.503 -1.602 -2.822 41 HB3 TRP 8 HB1 TRP 8 14.498 0.080 -2.307 42 HD1 TRP 8 HD1 TRP 8 12.378 0.502 -0.324 43 HE1 TRP 8 HE1 TRP 8 12.026 -0.903 1.796 44 HE3 TRP 8 HE3 TRP 8 14.865 -3.726 -1.748 45 HZ2 TRP 8 HZ2 TRP 8 12.710 -3.465 2.737 46 HZ3 TRP 8 HZ3 TRP 8 14.967 -5.613 -0.173 47 HH2 TRP 8 HH2 TRP 8 13.912 -5.484 2.023 48 H ASN 9 HN ASN 9 10.477 -0.821 -2.261 49 HA ASN 9 HA ASN 9 9.832 -3.360 -3.505 50 HB2 ASN 9 HB2 ASN 9 11.255 -3.864 -1.478 51 HB3 ASN 9 HB1 ASN 9 9.998 -3.129 -0.492 52 HD21 ASN 9 HD21 ASN 9 8.027 -4.227 -0.228 53 HD22 ASN 9 HD22 ASN 9 7.859 -5.903 -0.622 54 H GLU 10 HN GLU 10 8.370 -1.576 -4.287 55 HA GLU 10 HA GLU 10 6.311 -0.732 -2.420 56 HB2 GLU 10 HB2 GLU 10 6.603 -0.185 -5.381 57 HB3 GLU 10 HB1 GLU 10 5.430 0.563 -4.313 58 HG2 GLU 10 HG2 GLU 10 7.226 1.618 -3.061 59 HG3 GLU 10 HG1 GLU 10 8.414 0.849 -4.111 60 H ASP 11 HN ASP 11 5.823 -3.144 -2.174 61 HA ASP 11 HA ASP 11 4.596 -4.555 -4.281 62 HB2 ASP 11 HB2 ASP 11 5.452 -5.692 -2.280 63 HB3 ASP 11 HB1 ASP 11 4.197 -4.924 -1.307 64 H ASP 12 HN ASP 12 2.811 -4.124 -5.268 65 HA ASP 12 HA ASP 12 0.992 -2.146 -4.312 66 HB2 ASP 12 HB2 ASP 12 1.414 -2.220 -6.662 67 HB3 ASP 12 HB1 ASP 12 1.006 -3.930 -6.745 68 H LEU 13 HN LEU 13 0.910 -5.658 -4.629 69 HA LEU 13 HA LEU 13 -1.881 -5.923 -4.482 70 HB2 LEU 13 HB2 LEU 13 0.183 -7.551 -5.089 71 HB3 LEU 13 HB1 LEU 13 -0.209 -8.134 -3.492 72 HG LEU 13 HG LEU 13 -1.388 -9.507 -5.042 73 HD11 LEU 13 HD11 LEU 13 -2.654 -8.857 -3.069 74 HD12 LEU 13 HD12 LEU 13 -3.698 -9.156 -4.455 75 HD13 LEU 13 HD13 LEU 13 -3.342 -7.501 -3.958 76 HD21 LEU 13 HD21 LEU 13 -1.241 -7.955 -6.959 77 HD22 LEU 13 HD22 LEU 13 -2.545 -7.000 -6.247 78 HD23 LEU 13 HD23 LEU 13 -2.845 -8.658 -6.764 79 H ARG 14 HN ARG 14 0.623 -6.500 -1.985 80 HA ARG 14 HA ARG 14 -1.177 -7.177 0.058 81 HB2 ARG 14 HB2 ARG 14 1.663 -6.425 -0.131 82 HB3 ARG 14 HB1 ARG 14 0.918 -6.161 1.437 83 HG2 ARG 14 HG2 ARG 14 2.071 -8.365 1.094 84 HG3 ARG 14 HG1 ARG 14 0.420 -8.447 1.699 85 HD2 ARG 14 HD2 ARG 14 0.771 -10.144 0.012 86 HD3 ARG 14 HD1 ARG 14 -0.356 -8.933 -0.591 87 HE ARG 14 HE ARG 14 2.105 -8.110 -1.488 88 HH11 ARG 14 HH11 ARG 14 0.148 -10.999 -1.825 89 HH12 ARG 14 HH12 ARG 14 0.796 -11.410 -3.381 90 HH21 ARG 14 HH21 ARG 14 2.960 -8.643 -3.526 91 HH22 ARG 14 HH22 ARG 14 2.394 -10.070 -4.352 92 H CYS 15 HN CYS 15 0.220 -4.023 -0.799 93 HA CYS 15 HA CYS 15 -1.011 -2.587 1.310 94 HB2 CYS 15 HB2 CYS 15 0.892 -1.747 -0.089 95 HB3 CYS 15 HB1 CYS 15 -0.235 -1.538 -1.423 96 H HIS 16 HN HIS 16 -1.980 -3.353 -1.989 97 HA HIS 16 HA HIS 16 -4.429 -2.004 -2.087 98 HB2 HIS 16 HB2 HIS 16 -3.354 -2.980 -4.050 99 HB3 HIS 16 HB1 HIS 16 -3.554 -4.590 -3.391 100 HD1 HIS 16 HD1 HIS 16 -5.636 -1.741 -4.772 101 HD2 HIS 16 HD2 HIS 16 -5.839 -5.845 -4.156 102 HE1 HIS 16 HE1 HIS 16 -7.764 -2.483 -5.883 103 HE2 HIS 16 HE2 HIS 16 -7.782 -4.987 -5.637 104 H ASN 17 HN ASN 17 -3.631 -5.273 -0.948 105 HA ASN 17 HA ASN 17 -6.258 -6.057 -0.276 106 HB2 ASN 17 HB2 ASN 17 -3.581 -6.984 0.780 107 HB3 ASN 17 HB1 ASN 17 -5.107 -7.758 1.164 108 HD21 ASN 17 HD21 ASN 17 -2.882 -8.971 -0.081 109 HD22 ASN 17 HD22 ASN 17 -3.377 -9.476 -1.660 110 H HIS 18 HN HIS 18 -3.635 -4.637 1.620 111 HA HIS 18 HA HIS 18 -4.792 -4.668 4.140 112 HB2 HIS 18 HB2 HIS 18 -2.485 -4.063 3.902 113 HB3 HIS 18 HB1 HIS 18 -2.883 -2.706 2.861 114 HD1 HIS 18 HD1 HIS 18 -3.450 -3.768 6.480 115 HD2 HIS 18 HD2 HIS 18 -2.990 -0.358 4.156 116 HE1 HIS 18 HE1 HIS 18 -3.411 -1.846 8.102 117 HE2 HIS 18 HE2 HIS 18 -3.303 0.219 6.658 118 H CYS 19 HN CYS 19 -5.255 -2.403 1.500 119 HA CYS 19 HA CYS 19 -6.880 -0.650 3.121 120 HB2 CYS 19 HB2 CYS 19 -6.173 -0.620 0.191 121 HB3 CYS 19 HB1 CYS 19 -7.139 0.616 0.989 122 H LYS 20 HN LYS 20 -7.412 -3.410 1.162 123 HA LYS 20 HA LYS 20 -10.152 -2.868 0.533 124 HB2 LYS 20 HB2 LYS 20 -8.530 -5.400 0.582 125 HB3 LYS 20 HB1 LYS 20 -10.248 -5.404 0.231 126 HG2 LYS 20 HG2 LYS 20 -9.826 -3.890 -1.673 127 HG3 LYS 20 HG1 LYS 20 -8.100 -4.006 -1.342 128 HD2 LYS 20 HD2 LYS 20 -8.643 -5.552 -3.093 129 HD3 LYS 20 HD1 LYS 20 -8.266 -6.469 -1.632 130 HE2 LYS 20 HE2 LYS 20 -10.661 -6.704 -1.173 131 HE3 LYS 20 HE1 LYS 20 -11.022 -5.794 -2.635 132 HZ1 LYS 20 HZ1 LYS 20 -9.595 -8.395 -2.545 133 HZ2 LYS 20 HZ2 LYS 20 -10.002 -7.537 -3.941 134 HZ3 LYS 20 HZ3 LYS 20 -11.218 -8.187 -2.965 135 H SER 21 HN SER 21 -8.421 -4.299 3.198 136 HA SER 21 HA SER 21 -10.806 -5.187 4.542 137 HB2 SER 21 HB2 SER 21 -9.011 -5.390 6.470 138 HB3 SER 21 HB1 SER 21 -9.024 -6.529 5.123 139 HG SER 21 HG SER 21 -7.380 -4.220 5.394 140 H ILE 22 HN ILE 22 -9.837 -2.218 3.896 141 HA ILE 22 HA ILE 22 -10.890 -1.153 6.429 142 HB ILE 22 HB ILE 22 -9.197 0.365 4.439 143 HG12 ILE 22 HG12 ILE 22 -8.345 -0.797 7.101 144 HG13 ILE 22 HG11 ILE 22 -7.899 -1.457 5.529 145 HG21 ILE 22 HG21 ILE 22 -10.713 1.718 5.790 146 HG22 ILE 22 HG22 ILE 22 -9.031 2.012 6.232 147 HG23 ILE 22 HG23 ILE 22 -10.049 1.004 7.259 148 HD11 ILE 22 HD11 ILE 22 -6.105 -0.118 6.480 149 HD12 ILE 22 HD12 ILE 22 -7.181 1.280 6.557 150 HD13 ILE 22 HD13 ILE 22 -6.719 0.604 4.994 151 H LYS 23 HN LYS 23 -12.977 -0.606 6.137 152 HA LYS 23 HA LYS 23 -14.097 -0.467 3.549 153 HB2 LYS 23 HB2 LYS 23 -15.429 -1.320 5.316 154 HB3 LYS 23 HB1 LYS 23 -15.233 0.141 6.272 155 HG2 LYS 23 HG2 LYS 23 -16.547 1.384 4.714 156 HG3 LYS 23 HG1 LYS 23 -16.648 0.006 3.621 157 HD2 LYS 23 HD2 LYS 23 -17.783 0.121 6.416 158 HD3 LYS 23 HD1 LYS 23 -18.713 0.306 4.930 159 HE2 LYS 23 HE2 LYS 23 -17.174 -2.150 5.771 160 HE3 LYS 23 HE1 LYS 23 -18.921 -1.954 5.833 161 HZ1 LYS 23 HZ1 LYS 23 -18.153 -3.205 3.876 162 HZ2 LYS 23 HZ2 LYS 23 -17.306 -1.844 3.343 163 HZ3 LYS 23 HZ3 LYS 23 -18.990 -1.798 3.453 164 H GLY 24 HN GLY 24 -14.633 1.166 2.314 165 HA2 GLY 24 HA2 GLY 24 -15.129 3.513 1.955 166 HA3 GLY 24 HA1 GLY 24 -14.030 3.889 3.276 167 H TYR 25 HN TYR 25 -12.353 1.587 1.932 168 HA TYR 25 HA TYR 25 -11.189 3.279 -0.183 169 HB2 TYR 25 HB2 TYR 25 -9.671 1.471 1.712 170 HB3 TYR 25 HB1 TYR 25 -8.973 2.466 0.440 171 HD1 TYR 25 HD1 TYR 25 -9.456 2.281 3.856 172 HD2 TYR 25 HD2 TYR 25 -9.767 5.056 0.650 173 HE1 TYR 25 HE1 TYR 25 -9.225 4.140 5.446 174 HE2 TYR 25 HE2 TYR 25 -9.535 6.922 2.229 175 HH TYR 25 HH TYR 25 -8.458 6.536 5.383 176 H LYS 26 HN LYS 26 -9.740 1.918 -1.669 177 HA LYS 26 HA LYS 26 -10.709 -0.808 -1.988 178 HB2 LYS 26 HB2 LYS 26 -11.150 -0.469 -4.402 179 HB3 LYS 26 HB1 LYS 26 -12.280 0.382 -3.364 180 HG2 LYS 26 HG2 LYS 26 -9.922 1.679 -4.713 181 HG3 LYS 26 HG1 LYS 26 -11.538 1.617 -5.403 182 HD2 LYS 26 HD2 LYS 26 -12.395 2.816 -3.418 183 HD3 LYS 26 HD1 LYS 26 -10.743 2.945 -2.813 184 HE2 LYS 26 HE2 LYS 26 -10.120 4.191 -4.842 185 HE3 LYS 26 HE1 LYS 26 -11.791 4.098 -5.395 186 HZ1 LYS 26 HZ1 LYS 26 -10.836 5.468 -2.934 187 HZ2 LYS 26 HZ2 LYS 26 -12.456 5.330 -3.406 188 HZ3 LYS 26 HZ3 LYS 26 -11.374 6.213 -4.355 189 H GLY 27 HN GLY 27 -8.180 0.375 -1.227 190 HA2 GLY 27 HA2 GLY 27 -6.278 -1.197 -1.961 191 HA3 GLY 27 HA1 GLY 27 -6.491 -0.389 -3.509 192 H GLY 28 HN GLY 28 -4.051 -0.131 -2.681 193 HA2 GLY 28 HA2 GLY 28 -3.844 2.634 -1.866 194 HA3 GLY 28 HA1 GLY 28 -3.231 1.491 -0.683 195 H TYR 29 HN TYR 29 -1.477 3.211 -1.474 196 HA TYR 29 HA TYR 29 0.428 1.631 -2.980 197 HB2 TYR 29 HB2 TYR 29 1.039 3.552 -4.446 198 HB3 TYR 29 HB1 TYR 29 -0.564 2.914 -4.777 199 HD1 TYR 29 HD1 TYR 29 -2.350 4.397 -4.953 200 HD2 TYR 29 HD2 TYR 29 1.125 5.603 -2.821 201 HE1 TYR 29 HE1 TYR 29 -3.303 6.643 -4.682 202 HE2 TYR 29 HE2 TYR 29 0.180 7.855 -2.545 203 HH TYR 29 HH TYR 29 -1.454 9.301 -3.497 204 H CYS 30 HN CYS 30 2.632 2.740 -2.910 205 HA CYS 30 HA CYS 30 3.058 3.630 -0.199 206 HB2 CYS 30 HB2 CYS 30 5.051 3.179 -2.435 207 HB3 CYS 30 HB1 CYS 30 5.455 3.517 -0.761 208 H ALA 31 HN ALA 31 2.303 5.643 0.056 209 HA ALA 31 HA ALA 31 2.973 7.779 -1.783 210 HB1 ALA 31 HB1 ALA 31 1.593 7.916 0.897 211 HB2 ALA 31 HB2 ALA 31 0.777 7.691 -0.648 212 HB3 ALA 31 HB3 ALA 31 1.650 9.188 -0.323 213 H LYS 32 HN LYS 32 3.579 9.931 -0.325 214 HA LYS 32 HA LYS 32 5.376 11.049 0.524 215 HB2 LYS 32 HB2 LYS 32 5.408 8.588 2.265 216 HB3 LYS 32 HB1 LYS 32 6.398 10.004 2.578 217 HG2 LYS 32 HG2 LYS 32 3.392 10.005 2.476 218 HG3 LYS 32 HG1 LYS 32 4.355 9.909 3.951 219 HD2 LYS 32 HD2 LYS 32 5.425 12.077 3.286 220 HD3 LYS 32 HD1 LYS 32 4.251 12.183 1.975 221 HE2 LYS 32 HE2 LYS 32 3.582 12.003 4.911 222 HE3 LYS 32 HE1 LYS 32 3.573 13.482 3.952 223 HZ1 LYS 32 HZ1 LYS 32 1.802 12.630 2.625 224 HZ2 LYS 32 HZ2 LYS 32 1.360 12.457 4.249 225 HZ3 LYS 32 HZ3 LYS 32 1.883 11.115 3.371 226 H GLY 33 HN GLY 33 7.834 9.820 1.550 227 HA2 GLY 33 HA2 GLY 33 9.412 9.537 -0.681 228 HA3 GLY 33 HA1 GLY 33 9.794 8.829 0.879 229 H GLY 34 HN GLY 34 7.309 7.156 0.740 230 HA2 GLY 34 HA2 GLY 34 6.547 5.588 -1.083 231 HA3 GLY 34 HA1 GLY 34 8.253 5.217 -1.274 232 H PHE 35 HN PHE 35 7.105 5.762 1.940 233 HA PHE 35 HA PHE 35 7.287 2.857 2.396 234 HB2 PHE 35 HB2 PHE 35 8.089 5.150 4.201 235 HB3 PHE 35 HB1 PHE 35 8.037 3.474 4.721 236 HD1 PHE 35 HD1 PHE 35 9.701 5.839 2.430 237 HD2 PHE 35 HD2 PHE 35 9.825 1.999 4.255 238 HE1 PHE 35 HE1 PHE 35 12.007 5.535 1.630 239 HE2 PHE 35 HE2 PHE 35 12.129 1.692 3.461 240 HZ PHE 35 HZ PHE 35 13.241 3.463 2.196 241 H VAL 36 HN VAL 36 4.961 4.925 2.011 242 HA VAL 36 HA VAL 36 3.484 4.152 4.442 243 HB VAL 36 HB VAL 36 3.090 6.633 2.756 244 HG11 VAL 36 HG11 VAL 36 0.989 5.808 3.690 245 HG12 VAL 36 HG12 VAL 36 1.486 7.310 4.471 246 HG13 VAL 36 HG13 VAL 36 1.712 5.768 5.298 247 HG21 VAL 36 HG21 VAL 36 5.122 6.724 4.114 248 HG22 VAL 36 HG22 VAL 36 4.183 6.319 5.551 249 HG23 VAL 36 HG23 VAL 36 3.902 7.846 4.716 250 H CYS 37 HN CYS 37 2.023 2.641 4.029 251 HA CYS 37 HA CYS 37 0.942 2.190 1.407 252 HB2 CYS 37 HB2 CYS 37 1.338 0.340 3.001 253 HB3 CYS 37 HB1 CYS 37 0.140 1.024 4.089 254 H LYS 38 HN LYS 38 -0.068 4.129 0.873 255 HA LYS 38 HA LYS 38 -2.204 5.085 2.634 256 HB2 LYS 38 HB2 LYS 38 -0.297 6.487 1.448 257 HB3 LYS 38 HB1 LYS 38 -1.454 6.525 0.141 258 HG2 LYS 38 HG2 LYS 38 -2.136 7.366 2.943 259 HG3 LYS 38 HG1 LYS 38 -1.459 8.476 1.755 260 HD2 LYS 38 HD2 LYS 38 -3.988 6.894 1.325 261 HD3 LYS 38 HD1 LYS 38 -3.953 8.538 1.964 262 HE2 LYS 38 HE2 LYS 38 -2.801 9.273 -0.095 263 HE3 LYS 38 HE1 LYS 38 -2.940 7.635 -0.730 264 HZ1 LYS 38 HZ1 LYS 38 -4.700 9.006 -1.594 265 HZ2 LYS 38 HZ2 LYS 38 -5.188 9.444 -0.038 266 HZ3 LYS 38 HZ3 LYS 38 -5.364 7.844 -0.554 267 H CYS 39 HN CYS 39 -4.212 4.898 2.158 268 HA CYS 39 HA CYS 39 -4.957 3.222 -0.098 269 HB2 CYS 39 HB2 CYS 39 -6.694 4.251 2.149 270 HB3 CYS 39 HB1 CYS 39 -7.049 2.915 1.061 271 H TYR 40 HN TYR 40 -6.890 3.759 -1.416 272 HA TYR 40 HA TYR 40 -6.753 6.463 -2.354 273 HB2 TYR 40 HB2 TYR 40 -8.934 4.512 -3.055 274 HB3 TYR 40 HB1 TYR 40 -8.333 5.854 -4.011 275 HD1 TYR 40 HD1 TYR 40 -5.596 5.547 -4.438 276 HD2 TYR 40 HD2 TYR 40 -8.480 2.481 -3.883 277 HE1 TYR 40 HE1 TYR 40 -4.173 3.983 -5.701 278 HE2 TYR 40 HE2 TYR 40 -7.084 0.908 -5.132 279 HH TYR 40 HH TYR 40 -5.303 0.969 -6.819 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 4.425 0.826 5.217 2 H2 GLY 1 HT2 GLY 1 5.649 -0.005 4.397 3 H3 GLY 1 HT3 GLY 1 5.922 0.576 5.963 4 HA2 GLY 1 HA1 GLY 1 5.547 -1.804 6.001 5 HA3 GLY 1 HA2 GLY 1 4.275 -0.944 6.854 6 H PHE 2 HN PHE 2 3.315 -3.168 6.368 7 HA PHE 2 HA PHE 2 1.764 -4.447 5.313 8 HB2 PHE 2 HB2 PHE 2 0.965 -1.850 3.982 9 HB3 PHE 2 HB1 PHE 2 -0.029 -3.293 4.133 10 HD1 PHE 2 HD1 PHE 2 -0.004 -4.125 6.781 11 HD2 PHE 2 HD2 PHE 2 0.283 -0.143 5.315 12 HE1 PHE 2 HE1 PHE 2 -0.903 -3.280 8.910 13 HE2 PHE 2 HE2 PHE 2 -0.610 0.710 7.443 14 HZ PHE 2 HZ PHE 2 -1.203 -0.860 9.243 15 H GLY 3 HN GLY 3 4.092 -4.881 4.164 16 HA2 GLY 3 HA2 GLY 3 4.768 -6.009 2.235 17 HA3 GLY 3 HA1 GLY 3 3.395 -5.322 1.379 18 H CYS 4 HN CYS 4 3.883 -2.605 2.080 19 HA CYS 4 HA CYS 4 5.931 -2.035 0.126 20 HB2 CYS 4 HB2 CYS 4 3.773 -0.818 0.135 21 HB3 CYS 4 HB1 CYS 4 4.187 -0.142 1.707 22 H ASN 5 HN ASN 5 7.972 -2.172 0.846 23 HA ASN 5 HA ASN 5 8.585 -0.907 3.431 24 HB2 ASN 5 HB2 ASN 5 10.055 -3.042 1.880 25 HB3 ASN 5 HB1 ASN 5 10.739 -2.226 3.282 26 HD21 ASN 5 HD21 ASN 5 8.323 -4.454 2.157 27 HD22 ASN 5 HD22 ASN 5 7.896 -5.088 3.707 28 H GLY 6 HN GLY 6 8.358 0.087 0.482 29 HA2 GLY 6 HA2 GLY 6 9.308 2.327 0.129 30 HA3 GLY 6 HA1 GLY 6 10.862 1.645 0.582 31 HA PRO 7 HA PRO 7 9.977 1.853 -4.097 32 HB2 PRO 7 HB2 PRO 7 12.434 3.021 -4.642 33 HB3 PRO 7 HB1 PRO 7 10.909 3.888 -4.473 34 HG2 PRO 7 HG2 PRO 7 13.094 3.495 -2.482 35 HG3 PRO 7 HG1 PRO 7 12.092 4.926 -2.782 36 HD2 PRO 7 HD2 PRO 7 11.645 3.317 -0.689 37 HD3 PRO 7 HD1 PRO 7 10.305 4.079 -1.569 38 H TRP 8 HN TRP 8 12.729 0.907 -2.176 39 HA TRP 8 HA TRP 8 13.989 -0.653 -4.217 40 HB2 TRP 8 HB2 TRP 8 15.548 -1.312 -2.515 41 HB3 TRP 8 HB1 TRP 8 15.182 0.390 -2.257 42 HD1 TRP 8 HD1 TRP 8 13.066 0.727 -0.319 43 HE1 TRP 8 HE1 TRP 8 12.882 -0.445 1.960 44 HE3 TRP 8 HE3 TRP 8 16.161 -3.243 -1.210 45 HZ2 TRP 8 HZ2 TRP 8 13.922 -2.749 3.215 46 HZ3 TRP 8 HZ3 TRP 8 16.513 -4.886 0.587 47 HH2 TRP 8 HH2 TRP 8 15.415 -4.641 2.752 48 H ASN 9 HN ASN 9 11.421 -1.176 -1.998 49 HA ASN 9 HA ASN 9 11.051 -3.895 -2.830 50 HB2 ASN 9 HB2 ASN 9 12.796 -4.206 -1.117 51 HB3 ASN 9 HB1 ASN 9 11.798 -3.354 0.057 52 HD21 ASN 9 HD21 ASN 9 11.673 -5.088 1.450 53 HD22 ASN 9 HD22 ASN 9 10.770 -6.516 1.095 54 H GLU 10 HN GLU 10 9.192 -2.398 -3.425 55 HA GLU 10 HA GLU 10 7.273 -2.288 -1.206 56 HB2 GLU 10 HB2 GLU 10 5.994 -0.732 -2.823 57 HB3 GLU 10 HB1 GLU 10 7.405 -0.104 -1.986 58 HG2 GLU 10 HG2 GLU 10 8.705 -0.107 -3.886 59 HG3 GLU 10 HG1 GLU 10 7.669 -1.270 -4.723 60 H ASP 11 HN ASP 11 5.017 -2.720 -1.772 61 HA ASP 11 HA ASP 11 4.644 -4.525 -4.035 62 HB2 ASP 11 HB2 ASP 11 5.298 -5.915 -2.059 63 HB3 ASP 11 HB1 ASP 11 3.899 -5.284 -1.199 64 H ASP 12 HN ASP 12 3.044 -3.547 -5.079 65 HA ASP 12 HA ASP 12 1.260 -1.712 -3.872 66 HB2 ASP 12 HB2 ASP 12 1.250 -3.031 -6.588 67 HB3 ASP 12 HB1 ASP 12 0.066 -1.826 -6.104 68 H LEU 13 HN LEU 13 1.153 -5.119 -4.240 69 HA LEU 13 HA LEU 13 -1.692 -5.349 -4.361 70 HB2 LEU 13 HB2 LEU 13 0.448 -6.972 -4.936 71 HB3 LEU 13 HB1 LEU 13 -0.178 -7.676 -3.467 72 HG LEU 13 HG LEU 13 -1.195 -8.837 -5.273 73 HD11 LEU 13 HD11 LEU 13 -2.707 -8.263 -3.433 74 HD12 LEU 13 HD12 LEU 13 -3.546 -8.408 -4.976 75 HD13 LEU 13 HD13 LEU 13 -3.199 -6.813 -4.308 76 HD21 LEU 13 HD21 LEU 13 -2.406 -7.704 -7.068 77 HD22 LEU 13 HD22 LEU 13 -0.707 -7.232 -7.033 78 HD23 LEU 13 HD23 LEU 13 -1.939 -6.143 -6.397 79 H ARG 14 HN ARG 14 0.804 -5.932 -1.874 80 HA ARG 14 HA ARG 14 -0.973 -6.686 0.167 81 HB2 ARG 14 HB2 ARG 14 1.849 -5.948 0.020 82 HB3 ARG 14 HB1 ARG 14 1.090 -5.418 1.511 83 HG2 ARG 14 HG2 ARG 14 1.485 -7.452 2.288 84 HG3 ARG 14 HG1 ARG 14 0.181 -7.999 1.238 85 HD2 ARG 14 HD2 ARG 14 3.093 -7.880 0.477 86 HD3 ARG 14 HD1 ARG 14 2.241 -9.330 0.992 87 HE ARG 14 HE ARG 14 1.795 -7.863 -1.528 88 HH11 ARG 14 HH11 ARG 14 1.350 -10.729 0.452 89 HH12 ARG 14 HH12 ARG 14 0.833 -11.716 -0.875 90 HH21 ARG 14 HH21 ARG 14 1.110 -9.177 -3.270 91 HH22 ARG 14 HH22 ARG 14 0.682 -10.834 -2.982 92 H CYS 15 HN CYS 15 0.238 -3.459 -0.746 93 HA CYS 15 HA CYS 15 -1.043 -1.992 1.234 94 HB2 CYS 15 HB2 CYS 15 -0.537 -1.268 -1.660 95 HB3 CYS 15 HB1 CYS 15 -0.969 -0.139 -0.399 96 H HIS 16 HN HIS 16 -2.159 -2.834 -2.039 97 HA HIS 16 HA HIS 16 -4.712 -1.762 -1.924 98 HB2 HIS 16 HB2 HIS 16 -4.043 -2.473 -4.036 99 HB3 HIS 16 HB1 HIS 16 -3.489 -4.029 -3.455 100 HD1 HIS 16 HD1 HIS 16 -6.808 -2.213 -3.970 101 HD2 HIS 16 HD2 HIS 16 -5.211 -6.053 -3.964 102 HE1 HIS 16 HE1 HIS 16 -8.710 -3.746 -4.569 103 HE2 HIS 16 HE2 HIS 16 -7.716 -6.056 -4.598 104 H ASN 17 HN ASN 17 -3.737 -5.106 -1.168 105 HA ASN 17 HA ASN 17 -6.259 -6.078 -0.526 106 HB2 ASN 17 HB2 ASN 17 -3.502 -6.894 0.356 107 HB3 ASN 17 HB1 ASN 17 -4.935 -7.746 0.908 108 HD21 ASN 17 HD21 ASN 17 -2.772 -8.755 -0.686 109 HD22 ASN 17 HD22 ASN 17 -3.455 -9.278 -2.187 110 H HIS 18 HN HIS 18 -3.791 -4.712 1.636 111 HA HIS 18 HA HIS 18 -5.230 -4.933 4.021 112 HB2 HIS 18 HB2 HIS 18 -2.902 -4.380 4.112 113 HB3 HIS 18 HB1 HIS 18 -3.137 -2.943 3.131 114 HD1 HIS 18 HD1 HIS 18 -4.183 -4.240 6.563 115 HD2 HIS 18 HD2 HIS 18 -3.365 -0.689 4.571 116 HE1 HIS 18 HE1 HIS 18 -4.318 -2.439 8.312 117 HE2 HIS 18 HE2 HIS 18 -3.915 -0.282 7.062 118 H CYS 19 HN CYS 19 -5.129 -2.284 1.664 119 HA CYS 19 HA CYS 19 -6.698 -0.504 3.171 120 HB2 CYS 19 HB2 CYS 19 -6.142 -0.621 0.209 121 HB3 CYS 19 HB1 CYS 19 -6.952 0.723 1.009 122 H LYS 20 HN LYS 20 -7.642 -2.732 0.522 123 HA LYS 20 HA LYS 20 -10.360 -1.803 0.739 124 HB2 LYS 20 HB2 LYS 20 -10.883 -3.485 -1.003 125 HB3 LYS 20 HB1 LYS 20 -9.631 -2.349 -1.459 126 HG2 LYS 20 HG2 LYS 20 -8.868 -4.368 -2.276 127 HG3 LYS 20 HG1 LYS 20 -7.982 -4.176 -0.772 128 HD2 LYS 20 HD2 LYS 20 -8.792 -6.455 -1.082 129 HD3 LYS 20 HD1 LYS 20 -9.501 -5.702 0.350 130 HE2 LYS 20 HE2 LYS 20 -11.553 -5.272 -0.866 131 HE3 LYS 20 HE1 LYS 20 -10.832 -5.897 -2.345 132 HZ1 LYS 20 HZ1 LYS 20 -11.341 -7.470 0.123 133 HZ2 LYS 20 HZ2 LYS 20 -10.679 -8.073 -1.312 134 HZ3 LYS 20 HZ3 LYS 20 -12.277 -7.524 -1.282 135 H SER 21 HN SER 21 -8.586 -3.889 2.583 136 HA SER 21 HA SER 21 -10.802 -5.599 3.322 137 HB2 SER 21 HB2 SER 21 -8.133 -5.107 4.678 138 HB3 SER 21 HB1 SER 21 -9.317 -6.307 5.196 139 HG SER 21 HG SER 21 -7.799 -6.227 2.806 140 H ILE 22 HN ILE 22 -9.769 -2.454 3.899 141 HA ILE 22 HA ILE 22 -11.288 -2.171 6.383 142 HB ILE 22 HB ILE 22 -9.683 -0.066 4.919 143 HG12 ILE 22 HG12 ILE 22 -8.782 -1.779 7.242 144 HG13 ILE 22 HG11 ILE 22 -8.255 -1.995 5.578 145 HG21 ILE 22 HG21 ILE 22 -11.330 0.804 6.484 146 HG22 ILE 22 HG22 ILE 22 -9.696 1.077 7.089 147 HG23 ILE 22 HG23 ILE 22 -10.678 -0.224 7.760 148 HD11 ILE 22 HD11 ILE 22 -7.252 0.231 5.613 149 HD12 ILE 22 HD12 ILE 22 -6.591 -0.808 6.876 150 HD13 ILE 22 HD13 ILE 22 -7.772 0.435 7.286 151 H LYS 23 HN LYS 23 -13.223 -1.114 6.392 152 HA LYS 23 HA LYS 23 -14.545 -0.701 3.912 153 HB2 LYS 23 HB2 LYS 23 -15.853 -1.494 5.701 154 HB3 LYS 23 HB1 LYS 23 -15.324 -0.212 6.776 155 HG2 LYS 23 HG2 LYS 23 -16.513 1.397 5.312 156 HG3 LYS 23 HG1 LYS 23 -17.151 0.029 4.400 157 HD2 LYS 23 HD2 LYS 23 -17.585 0.581 7.336 158 HD3 LYS 23 HD1 LYS 23 -18.772 0.798 6.051 159 HE2 LYS 23 HE2 LYS 23 -18.776 -1.577 5.604 160 HE3 LYS 23 HE1 LYS 23 -17.494 -1.833 6.785 161 HZ1 LYS 23 HZ1 LYS 23 -20.250 -0.891 7.356 162 HZ2 LYS 23 HZ2 LYS 23 -19.017 -1.014 8.505 163 HZ3 LYS 23 HZ3 LYS 23 -19.600 -2.403 7.743 164 H GLY 24 HN GLY 24 -14.959 1.095 2.832 165 HA2 GLY 24 HA2 GLY 24 -15.210 3.457 2.593 166 HA3 GLY 24 HA1 GLY 24 -14.167 3.678 3.989 167 H TYR 25 HN TYR 25 -12.815 1.327 2.082 168 HA TYR 25 HA TYR 25 -11.346 3.234 0.399 169 HB2 TYR 25 HB2 TYR 25 -10.082 1.047 2.066 170 HB3 TYR 25 HB1 TYR 25 -9.236 2.044 0.889 171 HD1 TYR 25 HD1 TYR 25 -10.101 1.689 4.300 172 HD2 TYR 25 HD2 TYR 25 -9.328 4.612 1.312 173 HE1 TYR 25 HE1 TYR 25 -9.650 3.356 6.052 174 HE2 TYR 25 HE2 TYR 25 -8.872 6.283 3.051 175 HH TYR 25 HH TYR 25 -8.315 5.522 6.235 176 H LYS 26 HN LYS 26 -10.269 2.231 -1.438 177 HA LYS 26 HA LYS 26 -11.319 -0.444 -2.080 178 HB2 LYS 26 HB2 LYS 26 -11.495 0.296 -4.478 179 HB3 LYS 26 HB1 LYS 26 -12.676 0.998 -3.387 180 HG2 LYS 26 HG2 LYS 26 -10.179 2.511 -3.923 181 HG3 LYS 26 HG1 LYS 26 -11.404 2.433 -5.189 182 HD2 LYS 26 HD2 LYS 26 -12.161 3.190 -2.391 183 HD3 LYS 26 HD1 LYS 26 -11.446 4.385 -3.471 184 HE2 LYS 26 HE2 LYS 26 -13.814 4.595 -3.630 185 HE3 LYS 26 HE1 LYS 26 -13.245 3.856 -5.122 186 HZ1 LYS 26 HZ1 LYS 26 -13.972 1.720 -4.335 187 HZ2 LYS 26 HZ2 LYS 26 -15.260 2.808 -4.239 188 HZ3 LYS 26 HZ3 LYS 26 -14.423 2.369 -2.840 189 H GLY 27 HN GLY 27 -8.660 1.814 -2.263 190 HA2 GLY 27 HA2 GLY 27 -6.969 -0.409 -3.155 191 HA3 GLY 27 HA1 GLY 27 -6.979 1.042 -4.144 192 H GLY 28 HN GLY 28 -4.609 0.347 -3.296 193 HA2 GLY 28 HA2 GLY 28 -3.932 2.508 -1.485 194 HA3 GLY 28 HA1 GLY 28 -3.540 0.897 -0.901 195 H TYR 29 HN TYR 29 -1.854 3.237 -1.714 196 HA TYR 29 HA TYR 29 0.015 1.699 -3.341 197 HB2 TYR 29 HB2 TYR 29 0.494 3.754 -4.741 198 HB3 TYR 29 HB1 TYR 29 -1.034 2.954 -5.071 199 HD1 TYR 29 HD1 TYR 29 -2.941 4.243 -5.238 200 HD2 TYR 29 HD2 TYR 29 0.353 5.761 -3.017 201 HE1 TYR 29 HE1 TYR 29 -4.126 6.377 -4.950 202 HE2 TYR 29 HE2 TYR 29 -0.826 7.898 -2.719 203 HH TYR 29 HH TYR 29 -4.165 8.298 -3.597 204 H CYS 30 HN CYS 30 2.213 2.631 -3.295 205 HA CYS 30 HA CYS 30 2.830 3.439 -0.621 206 HB2 CYS 30 HB2 CYS 30 4.652 3.135 -3.015 207 HB3 CYS 30 HB1 CYS 30 5.175 3.343 -1.351 208 H ALA 31 HN ALA 31 2.416 5.430 -0.032 209 HA ALA 31 HA ALA 31 3.462 7.632 -1.690 210 HB1 ALA 31 HB1 ALA 31 1.054 7.696 0.132 211 HB2 ALA 31 HB2 ALA 31 1.007 7.640 -1.631 212 HB3 ALA 31 HB3 ALA 31 1.681 9.049 -0.811 213 H LYS 32 HN LYS 32 3.363 9.680 0.074 214 HA LYS 32 HA LYS 32 4.617 10.684 1.680 215 HB2 LYS 32 HB2 LYS 32 3.687 8.217 3.133 216 HB3 LYS 32 HB1 LYS 32 4.564 9.510 3.934 217 HG2 LYS 32 HG2 LYS 32 1.889 9.746 2.566 218 HG3 LYS 32 HG1 LYS 32 2.179 9.707 4.304 219 HD2 LYS 32 HD2 LYS 32 3.087 11.840 2.380 220 HD3 LYS 32 HD1 LYS 32 1.812 11.983 3.588 221 HE2 LYS 32 HE2 LYS 32 4.748 11.548 4.124 222 HE3 LYS 32 HE1 LYS 32 3.850 13.041 4.366 223 HZ1 LYS 32 HZ1 LYS 32 3.263 10.508 5.790 224 HZ2 LYS 32 HZ2 LYS 32 2.584 12.024 6.091 225 HZ3 LYS 32 HZ3 LYS 32 4.217 11.752 6.419 226 H GLY 33 HN GLY 33 6.395 10.023 0.081 227 HA2 GLY 33 HA2 GLY 33 8.717 9.645 0.126 228 HA3 GLY 33 HA1 GLY 33 8.512 8.696 1.593 229 H GLY 34 HN GLY 34 6.149 7.433 0.049 230 HA2 GLY 34 HA2 GLY 34 5.842 5.718 -1.502 231 HA3 GLY 34 HA1 GLY 34 7.559 5.779 -1.873 232 H PHE 35 HN PHE 35 6.456 5.620 1.406 233 HA PHE 35 HA PHE 35 7.313 2.803 1.532 234 HB2 PHE 35 HB2 PHE 35 7.640 4.977 3.621 235 HB3 PHE 35 HB1 PHE 35 8.018 3.280 3.885 236 HD1 PHE 35 HD1 PHE 35 8.961 6.285 1.962 237 HD2 PHE 35 HD2 PHE 35 10.081 2.370 3.187 238 HE1 PHE 35 HE1 PHE 35 11.237 6.674 1.114 239 HE2 PHE 35 HE2 PHE 35 12.359 2.754 2.345 240 HZ PHE 35 HZ PHE 35 12.948 4.899 1.327 241 H VAL 36 HN VAL 36 4.821 5.040 2.089 242 HA VAL 36 HA VAL 36 3.506 3.320 4.072 243 HB VAL 36 HB VAL 36 2.798 6.142 3.245 244 HG11 VAL 36 HG11 VAL 36 0.887 4.892 4.097 245 HG12 VAL 36 HG12 VAL 36 1.380 6.145 5.237 246 HG13 VAL 36 HG13 VAL 36 1.802 4.459 5.541 247 HG21 VAL 36 HG21 VAL 36 4.965 6.073 4.363 248 HG22 VAL 36 HG22 VAL 36 4.254 5.175 5.704 249 HG23 VAL 36 HG23 VAL 36 3.749 6.834 5.390 250 H CYS 37 HN CYS 37 1.931 1.994 3.376 251 HA CYS 37 HA CYS 37 0.770 2.175 0.793 252 HB2 CYS 37 HB2 CYS 37 -0.056 0.627 3.255 253 HB3 CYS 37 HB1 CYS 37 -0.765 0.423 1.672 254 H LYS 38 HN LYS 38 -0.114 4.263 0.632 255 HA LYS 38 HA LYS 38 -2.089 5.106 2.578 256 HB2 LYS 38 HB2 LYS 38 -0.421 6.607 1.329 257 HB3 LYS 38 HB1 LYS 38 -1.513 6.489 -0.031 258 HG2 LYS 38 HG2 LYS 38 -2.443 7.409 2.668 259 HG3 LYS 38 HG1 LYS 38 -1.701 8.517 1.519 260 HD2 LYS 38 HD2 LYS 38 -4.124 6.825 0.926 261 HD3 LYS 38 HD1 LYS 38 -4.192 8.503 1.468 262 HE2 LYS 38 HE2 LYS 38 -2.850 7.521 -1.050 263 HE3 LYS 38 HE1 LYS 38 -4.421 8.309 -0.967 264 HZ1 LYS 38 HZ1 LYS 38 -1.857 9.542 -0.123 265 HZ2 LYS 38 HZ2 LYS 38 -3.371 10.295 -0.134 266 HZ3 LYS 38 HZ3 LYS 38 -2.641 9.842 -1.591 267 H CYS 39 HN CYS 39 -4.195 5.040 2.341 268 HA CYS 39 HA CYS 39 -5.150 3.279 0.204 269 HB2 CYS 39 HB2 CYS 39 -6.446 3.950 2.850 270 HB3 CYS 39 HB1 CYS 39 -6.965 2.709 1.716 271 H TYR 40 HN TYR 40 -6.845 3.791 -1.101 272 HA TYR 40 HA TYR 40 -8.139 6.385 -0.636 273 HB2 TYR 40 HB2 TYR 40 -8.353 6.701 -3.062 274 HB3 TYR 40 HB1 TYR 40 -6.669 6.601 -2.576 275 HD1 TYR 40 HD1 TYR 40 -5.256 4.845 -3.390 276 HD2 TYR 40 HD2 TYR 40 -9.411 4.850 -4.311 277 HE1 TYR 40 HE1 TYR 40 -4.874 3.140 -5.117 278 HE2 TYR 40 HE2 TYR 40 -9.036 3.150 -6.034 279 HH TYR 40 HH TYR 40 -7.241 2.315 -7.435 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 5.979 -2.976 7.498 2 H2 GLY 1 HT2 GLY 1 6.752 -1.503 7.201 3 H3 GLY 1 HT3 GLY 1 6.887 -2.764 6.085 4 HA2 GLY 1 HA1 GLY 1 4.408 -1.287 6.771 5 HA3 GLY 1 HA2 GLY 1 5.335 -1.109 5.288 6 H PHE 2 HN PHE 2 2.717 -1.698 5.068 7 HA PHE 2 HA PHE 2 2.279 -4.527 4.887 8 HB2 PHE 2 HB2 PHE 2 0.548 -2.244 3.913 9 HB3 PHE 2 HB1 PHE 2 0.055 -3.927 4.049 10 HD1 PHE 2 HD1 PHE 2 0.182 -4.974 6.411 11 HD2 PHE 2 HD2 PHE 2 0.160 -0.784 5.667 12 HE1 PHE 2 HE1 PHE 2 -0.577 -4.572 8.714 13 HE2 PHE 2 HE2 PHE 2 -0.598 -0.377 7.971 14 HZ PHE 2 HZ PHE 2 -0.964 -2.257 9.498 15 H GLY 3 HN GLY 3 4.264 -4.576 3.447 16 HA2 GLY 3 HA2 GLY 3 4.712 -5.461 1.271 17 HA3 GLY 3 HA1 GLY 3 3.366 -4.516 0.647 18 H CYS 4 HN CYS 4 4.056 -2.104 1.950 19 HA CYS 4 HA CYS 4 6.066 -1.090 0.165 20 HB2 CYS 4 HB2 CYS 4 4.689 0.335 2.445 21 HB3 CYS 4 HB1 CYS 4 5.445 1.063 1.029 22 H ASN 5 HN ASN 5 8.091 -1.804 0.696 23 HA ASN 5 HA ASN 5 9.108 -1.015 3.328 24 HB2 ASN 5 HB2 ASN 5 9.270 -3.793 2.158 25 HB3 ASN 5 HB1 ASN 5 10.334 -3.241 3.444 26 HD21 ASN 5 HD21 ASN 5 7.164 -4.277 2.599 27 HD22 ASN 5 HD22 ASN 5 6.530 -4.362 4.207 28 H GLY 6 HN GLY 6 9.554 0.278 0.886 29 HA2 GLY 6 HA2 GLY 6 12.210 0.798 0.884 30 HA3 GLY 6 HA1 GLY 6 12.088 -0.616 -0.151 31 HA PRO 7 HA PRO 7 11.068 3.171 -2.739 32 HB2 PRO 7 HB2 PRO 7 13.458 3.721 -3.825 33 HB3 PRO 7 HB1 PRO 7 12.984 4.420 -2.269 34 HG2 PRO 7 HG2 PRO 7 14.708 2.023 -2.814 35 HG3 PRO 7 HG1 PRO 7 15.000 3.369 -1.705 36 HD2 PRO 7 HD2 PRO 7 14.010 0.991 -0.872 37 HD3 PRO 7 HD1 PRO 7 13.577 2.529 -0.100 38 H TRP 8 HN TRP 8 13.189 0.432 -2.970 39 HA TRP 8 HA TRP 8 12.310 -0.131 -5.714 40 HB2 TRP 8 HB2 TRP 8 14.170 -1.672 -5.842 41 HB3 TRP 8 HB1 TRP 8 14.766 -0.143 -5.199 42 HD1 TRP 8 HD1 TRP 8 15.092 -0.112 -2.414 43 HE1 TRP 8 HE1 TRP 8 15.904 -2.000 -0.869 44 HE3 TRP 8 HE3 TRP 8 14.263 -4.089 -5.507 45 HZ2 TRP 8 HZ2 TRP 8 16.162 -4.808 -0.957 46 HZ3 TRP 8 HZ3 TRP 8 14.822 -6.345 -4.701 47 HH2 TRP 8 HH2 TRP 8 15.752 -6.695 -2.472 48 H ASN 9 HN ASN 9 11.687 -0.924 -2.505 49 HA ASN 9 HA ASN 9 10.729 -3.625 -3.178 50 HB2 ASN 9 HB2 ASN 9 12.478 -3.328 -1.331 51 HB3 ASN 9 HB1 ASN 9 11.214 -2.544 -0.398 52 HD21 ASN 9 HD21 ASN 9 11.282 -4.109 1.192 53 HD22 ASN 9 HD22 ASN 9 10.636 -5.698 0.956 54 H GLU 10 HN GLU 10 9.072 -1.882 -4.104 55 HA GLU 10 HA GLU 10 7.041 -1.260 -2.091 56 HB2 GLU 10 HB2 GLU 10 7.197 -0.471 -5.004 57 HB3 GLU 10 HB1 GLU 10 6.030 0.121 -3.830 58 HG2 GLU 10 HG2 GLU 10 7.724 1.279 -2.629 59 HG3 GLU 10 HG1 GLU 10 9.004 0.544 -3.595 60 H ASP 11 HN ASP 11 5.509 -2.765 -1.787 61 HA ASP 11 HA ASP 11 4.468 -4.128 -4.180 62 HB2 ASP 11 HB2 ASP 11 5.474 -5.704 -2.549 63 HB3 ASP 11 HB1 ASP 11 4.337 -5.134 -1.329 64 H ASP 12 HN ASP 12 2.779 -2.979 -4.797 65 HA ASP 12 HA ASP 12 1.189 -1.489 -2.921 66 HB2 ASP 12 HB2 ASP 12 0.816 -1.897 -5.897 67 HB3 ASP 12 HB1 ASP 12 -0.070 -0.745 -4.908 68 H LEU 13 HN LEU 13 1.132 -4.651 -4.084 69 HA LEU 13 HA LEU 13 -1.684 -5.020 -4.286 70 HB2 LEU 13 HB2 LEU 13 0.452 -6.460 -5.069 71 HB3 LEU 13 HB1 LEU 13 0.051 -7.313 -3.598 72 HG LEU 13 HG LEU 13 -1.053 -8.488 -5.316 73 HD11 LEU 13 HD11 LEU 13 -3.392 -8.258 -4.847 74 HD12 LEU 13 HD12 LEU 13 -3.143 -6.636 -4.206 75 HD13 LEU 13 HD13 LEU 13 -2.472 -8.028 -3.362 76 HD21 LEU 13 HD21 LEU 13 -0.797 -6.799 -7.065 77 HD22 LEU 13 HD22 LEU 13 -2.095 -5.851 -6.339 78 HD23 LEU 13 HD23 LEU 13 -2.438 -7.440 -7.018 79 H ARG 14 HN ARG 14 0.725 -5.982 -1.835 80 HA ARG 14 HA ARG 14 -1.075 -6.916 0.083 81 HB2 ARG 14 HB2 ARG 14 1.736 -6.122 -0.026 82 HB3 ARG 14 HB1 ARG 14 1.003 -5.862 1.548 83 HG2 ARG 14 HG2 ARG 14 2.150 -8.072 1.149 84 HG3 ARG 14 HG1 ARG 14 0.529 -8.133 1.834 85 HD2 ARG 14 HD2 ARG 14 0.734 -9.835 0.160 86 HD3 ARG 14 HD1 ARG 14 -0.344 -8.588 -0.450 87 HE ARG 14 HE ARG 14 1.890 -7.779 -1.568 88 HH11 ARG 14 HH11 ARG 14 0.695 -11.051 -1.185 89 HH12 ARG 14 HH12 ARG 14 1.503 -11.651 -2.596 90 HH21 ARG 14 HH21 ARG 14 2.944 -8.555 -3.440 91 HH22 ARG 14 HH22 ARG 14 2.773 -10.228 -3.892 92 H CYS 15 HN CYS 15 0.132 -3.645 -0.502 93 HA CYS 15 HA CYS 15 -1.167 -2.442 1.701 94 HB2 CYS 15 HB2 CYS 15 0.641 -1.352 0.379 95 HB3 CYS 15 HB1 CYS 15 -0.486 -1.175 -0.964 96 H HIS 16 HN HIS 16 -2.110 -2.881 -1.690 97 HA HIS 16 HA HIS 16 -4.654 -1.793 -1.641 98 HB2 HIS 16 HB2 HIS 16 -3.799 -2.492 -3.735 99 HB3 HIS 16 HB1 HIS 16 -3.479 -4.119 -3.157 100 HD1 HIS 16 HD1 HIS 16 -6.490 -1.901 -3.872 101 HD2 HIS 16 HD2 HIS 16 -5.381 -5.903 -3.869 102 HE1 HIS 16 HE1 HIS 16 -8.515 -3.161 -4.652 103 HE2 HIS 16 HE2 HIS 16 -7.759 -5.554 -4.827 104 H ASN 17 HN ASN 17 -3.637 -5.077 -0.804 105 HA ASN 17 HA ASN 17 -6.181 -6.085 -0.209 106 HB2 ASN 17 HB2 ASN 17 -3.447 -6.920 0.756 107 HB3 ASN 17 HB1 ASN 17 -4.914 -7.834 1.067 108 HD21 ASN 17 HD21 ASN 17 -2.530 -8.592 -0.423 109 HD22 ASN 17 HD22 ASN 17 -3.062 -8.991 -2.023 110 H HIS 18 HN HIS 18 -3.748 -4.543 1.829 111 HA HIS 18 HA HIS 18 -5.079 -4.798 4.285 112 HB2 HIS 18 HB2 HIS 18 -2.798 -4.124 4.328 113 HB3 HIS 18 HB1 HIS 18 -3.095 -2.778 3.241 114 HD1 HIS 18 HD1 HIS 18 -3.969 -3.830 6.804 115 HD2 HIS 18 HD2 HIS 18 -3.465 -0.425 4.481 116 HE1 HIS 18 HE1 HIS 18 -4.180 -1.890 8.392 117 HE2 HIS 18 HE2 HIS 18 -3.735 0.156 6.985 118 H CYS 19 HN CYS 19 -5.200 -2.185 1.869 119 HA CYS 19 HA CYS 19 -6.975 -0.624 3.485 120 HB2 CYS 19 HB2 CYS 19 -6.082 -0.290 0.625 121 HB3 CYS 19 HB1 CYS 19 -7.059 0.879 1.506 122 H LYS 20 HN LYS 20 -7.441 -2.930 0.858 123 HA LYS 20 HA LYS 20 -10.156 -2.146 0.367 124 HB2 LYS 20 HB2 LYS 20 -10.346 -4.076 -1.024 125 HB3 LYS 20 HB1 LYS 20 -8.731 -3.429 -1.275 126 HG2 LYS 20 HG2 LYS 20 -7.770 -5.133 0.097 127 HG3 LYS 20 HG1 LYS 20 -9.363 -5.722 0.567 128 HD2 LYS 20 HD2 LYS 20 -9.797 -6.266 -1.820 129 HD3 LYS 20 HD1 LYS 20 -8.133 -5.811 -2.187 130 HE2 LYS 20 HE2 LYS 20 -7.313 -7.554 -0.700 131 HE3 LYS 20 HE1 LYS 20 -8.963 -7.979 -0.262 132 HZ1 LYS 20 HZ1 LYS 20 -7.764 -8.217 -2.965 133 HZ2 LYS 20 HZ2 LYS 20 -9.362 -8.598 -2.570 134 HZ3 LYS 20 HZ3 LYS 20 -8.091 -9.494 -1.908 135 H SER 21 HN SER 21 -8.590 -3.908 2.801 136 HA SER 21 HA SER 21 -10.809 -5.472 3.684 137 HB2 SER 21 HB2 SER 21 -8.497 -6.042 4.293 138 HB3 SER 21 HB1 SER 21 -8.339 -4.517 5.159 139 HG SER 21 HG SER 21 -10.277 -6.489 5.799 140 H ILE 22 HN ILE 22 -9.751 -2.209 4.044 141 HA ILE 22 HA ILE 22 -11.628 -1.640 6.193 142 HB ILE 22 HB ILE 22 -9.829 0.272 4.689 143 HG12 ILE 22 HG12 ILE 22 -9.370 -1.070 7.366 144 HG13 ILE 22 HG11 ILE 22 -8.557 -1.509 5.868 145 HG21 ILE 22 HG21 ILE 22 -11.707 1.356 5.794 146 HG22 ILE 22 HG22 ILE 22 -10.195 1.744 6.615 147 HG23 ILE 22 HG23 ILE 22 -11.297 0.555 7.311 148 HD11 ILE 22 HD11 ILE 22 -7.140 -0.131 7.277 149 HD12 ILE 22 HD12 ILE 22 -8.356 1.147 7.270 150 HD13 ILE 22 HD13 ILE 22 -7.535 0.703 5.774 151 H LYS 23 HN LYS 23 -13.670 -1.167 5.738 152 HA LYS 23 HA LYS 23 -14.568 -0.948 3.059 153 HB2 LYS 23 HB2 LYS 23 -15.751 -1.812 5.259 154 HB3 LYS 23 HB1 LYS 23 -16.301 -0.145 5.344 155 HG2 LYS 23 HG2 LYS 23 -17.340 -0.332 3.173 156 HG3 LYS 23 HG1 LYS 23 -16.716 -1.970 2.991 157 HD2 LYS 23 HD2 LYS 23 -18.670 -1.048 5.100 158 HD3 LYS 23 HD1 LYS 23 -19.073 -1.976 3.657 159 HE2 LYS 23 HE2 LYS 23 -17.267 -2.884 5.898 160 HE3 LYS 23 HE1 LYS 23 -18.926 -3.407 5.634 161 HZ1 LYS 23 HZ1 LYS 23 -16.649 -3.874 3.788 162 HZ2 LYS 23 HZ2 LYS 23 -18.244 -4.359 3.517 163 HZ3 LYS 23 HZ3 LYS 23 -17.362 -5.027 4.794 164 H GLY 24 HN GLY 24 -14.907 0.770 1.833 165 HA2 GLY 24 HA2 GLY 24 -15.706 3.093 1.676 166 HA3 GLY 24 HA1 GLY 24 -14.718 3.437 3.087 167 H TYR 25 HN TYR 25 -12.684 1.512 1.777 168 HA TYR 25 HA TYR 25 -11.533 3.524 -0.043 169 HB2 TYR 25 HB2 TYR 25 -10.113 1.465 1.666 170 HB3 TYR 25 HB1 TYR 25 -9.326 2.600 0.575 171 HD1 TYR 25 HD1 TYR 25 -10.557 2.067 3.884 172 HD2 TYR 25 HD2 TYR 25 -9.630 5.098 1.051 173 HE1 TYR 25 HE1 TYR 25 -10.431 3.719 5.701 174 HE2 TYR 25 HE2 TYR 25 -9.499 6.755 2.859 175 HH TYR 25 HH TYR 25 -10.411 7.043 5.169 176 H LYS 26 HN LYS 26 -10.725 2.879 -2.005 177 HA LYS 26 HA LYS 26 -11.837 0.440 -3.063 178 HB2 LYS 26 HB2 LYS 26 -10.144 2.544 -4.354 179 HB3 LYS 26 HB1 LYS 26 -10.925 1.210 -5.195 180 HG2 LYS 26 HG2 LYS 26 -13.091 2.054 -4.654 181 HG3 LYS 26 HG1 LYS 26 -12.387 3.290 -3.606 182 HD2 LYS 26 HD2 LYS 26 -11.189 4.158 -5.554 183 HD3 LYS 26 HD1 LYS 26 -12.091 3.050 -6.579 184 HE2 LYS 26 HE2 LYS 26 -14.190 4.084 -5.809 185 HE3 LYS 26 HE1 LYS 26 -13.257 5.221 -4.839 186 HZ1 LYS 26 HZ1 LYS 26 -13.944 6.188 -6.945 187 HZ2 LYS 26 HZ2 LYS 26 -13.126 4.977 -7.795 188 HZ3 LYS 26 HZ3 LYS 26 -12.257 6.084 -6.855 189 H GLY 27 HN GLY 27 -8.834 1.540 -1.856 190 HA2 GLY 27 HA2 GLY 27 -7.612 -0.896 -1.602 191 HA3 GLY 27 HA1 GLY 27 -7.166 -0.340 -3.210 192 H GLY 28 HN GLY 28 -4.972 -0.299 -2.447 193 HA2 GLY 28 HA2 GLY 28 -4.283 2.221 -1.201 194 HA3 GLY 28 HA1 GLY 28 -3.849 0.787 -0.278 195 H TYR 29 HN TYR 29 -1.942 2.597 -1.188 196 HA TYR 29 HA TYR 29 -0.323 0.868 -2.840 197 HB2 TYR 29 HB2 TYR 29 0.078 2.421 -4.625 198 HB3 TYR 29 HB1 TYR 29 -1.662 2.225 -4.480 199 HD1 TYR 29 HD1 TYR 29 -2.547 4.024 -2.501 200 HD2 TYR 29 HD2 TYR 29 0.636 4.570 -5.270 201 HE1 TYR 29 HE1 TYR 29 -2.816 6.459 -2.321 202 HE2 TYR 29 HE2 TYR 29 0.371 7.006 -5.104 203 HH TYR 29 HH TYR 29 -1.451 8.486 -2.659 204 H CYS 30 HN CYS 30 1.903 1.582 -2.942 205 HA CYS 30 HA CYS 30 2.704 2.789 -0.462 206 HB2 CYS 30 HB2 CYS 30 4.461 2.008 -2.795 207 HB3 CYS 30 HB1 CYS 30 4.950 2.242 -1.124 208 H ALA 31 HN ALA 31 2.370 4.890 -0.288 209 HA ALA 31 HA ALA 31 3.328 6.636 -2.458 210 HB1 ALA 31 HB1 ALA 31 1.691 8.287 -1.698 211 HB2 ALA 31 HB2 ALA 31 1.148 7.175 -0.440 212 HB3 ALA 31 HB3 ALA 31 0.905 6.771 -2.139 213 H LYS 32 HN LYS 32 3.537 8.994 -1.311 214 HA LYS 32 HA LYS 32 4.800 10.338 0.014 215 HB2 LYS 32 HB2 LYS 32 3.113 9.263 1.656 216 HB3 LYS 32 HB1 LYS 32 4.474 8.303 2.203 217 HG2 LYS 32 HG2 LYS 32 4.137 10.212 3.645 218 HG3 LYS 32 HG1 LYS 32 5.681 10.338 2.798 219 HD2 LYS 32 HD2 LYS 32 4.660 11.870 1.179 220 HD3 LYS 32 HD1 LYS 32 3.123 11.748 2.035 221 HE2 LYS 32 HE2 LYS 32 4.110 12.739 4.007 222 HE3 LYS 32 HE1 LYS 32 5.692 12.768 3.232 223 HZ1 LYS 32 HZ1 LYS 32 3.293 14.305 2.402 224 HZ2 LYS 32 HZ2 LYS 32 4.755 14.274 1.552 225 HZ3 LYS 32 HZ3 LYS 32 4.698 14.930 3.108 226 H GLY 33 HN GLY 33 6.300 8.852 -1.629 227 HA2 GLY 33 HA2 GLY 33 8.690 8.666 -1.669 228 HA3 GLY 33 HA1 GLY 33 8.644 8.174 0.019 229 H GLY 34 HN GLY 34 6.170 6.537 -1.012 230 HA2 GLY 34 HA2 GLY 34 5.860 4.481 -2.116 231 HA3 GLY 34 HA1 GLY 34 7.598 4.376 -2.361 232 H PHE 35 HN PHE 35 6.707 5.296 0.780 233 HA PHE 35 HA PHE 35 7.288 2.557 1.694 234 HB2 PHE 35 HB2 PHE 35 7.742 5.123 3.234 235 HB3 PHE 35 HB1 PHE 35 8.266 3.510 3.696 236 HD1 PHE 35 HD1 PHE 35 9.014 6.469 1.781 237 HD2 PHE 35 HD2 PHE 35 10.087 2.404 2.427 238 HE1 PHE 35 HE1 PHE 35 11.172 6.869 0.674 239 HE2 PHE 35 HE2 PHE 35 12.246 2.798 1.324 240 HZ PHE 35 HZ PHE 35 12.792 5.031 0.441 241 H VAL 36 HN VAL 36 5.121 5.232 1.869 242 HA VAL 36 HA VAL 36 3.807 4.211 4.256 243 HB VAL 36 HB VAL 36 3.232 6.694 2.631 244 HG11 VAL 36 HG11 VAL 36 2.190 5.849 5.333 245 HG12 VAL 36 HG12 VAL 36 1.257 5.941 3.839 246 HG13 VAL 36 HG13 VAL 36 1.908 7.410 4.565 247 HG21 VAL 36 HG21 VAL 36 5.416 6.805 3.671 248 HG22 VAL 36 HG22 VAL 36 4.727 6.331 5.224 249 HG23 VAL 36 HG23 VAL 36 4.299 7.885 4.507 250 H CYS 37 HN CYS 37 2.464 2.584 3.907 251 HA CYS 37 HA CYS 37 0.967 2.146 1.543 252 HB2 CYS 37 HB2 CYS 37 1.466 0.318 3.083 253 HB3 CYS 37 HB1 CYS 37 0.570 1.123 4.367 254 H LYS 38 HN LYS 38 -0.403 3.712 0.888 255 HA LYS 38 HA LYS 38 -2.118 4.970 2.920 256 HB2 LYS 38 HB2 LYS 38 -0.590 6.377 1.425 257 HB3 LYS 38 HB1 LYS 38 -1.690 5.976 0.120 258 HG2 LYS 38 HG2 LYS 38 -3.533 6.985 1.344 259 HG3 LYS 38 HG1 LYS 38 -2.444 7.376 2.675 260 HD2 LYS 38 HD2 LYS 38 -2.827 9.315 1.263 261 HD3 LYS 38 HD1 LYS 38 -1.139 8.809 1.183 262 HE2 LYS 38 HE2 LYS 38 -1.545 7.699 -0.930 263 HE3 LYS 38 HE1 LYS 38 -3.259 8.102 -0.838 264 HZ1 LYS 38 HZ1 LYS 38 -1.954 9.574 -2.301 265 HZ2 LYS 38 HZ2 LYS 38 -1.082 10.112 -0.955 266 HZ3 LYS 38 HZ3 LYS 38 -2.743 10.405 -1.057 267 H CYS 39 HN CYS 39 -4.312 5.201 2.536 268 HA CYS 39 HA CYS 39 -5.391 3.250 0.613 269 HB2 CYS 39 HB2 CYS 39 -6.720 4.283 3.128 270 HB3 CYS 39 HB1 CYS 39 -7.265 2.956 2.111 271 H TYR 40 HN TYR 40 -7.040 3.886 -0.765 272 HA TYR 40 HA TYR 40 -7.845 6.707 -0.589 273 HB2 TYR 40 HB2 TYR 40 -7.804 6.884 -3.021 274 HB3 TYR 40 HB1 TYR 40 -6.218 6.414 -2.424 275 HD1 TYR 40 HD1 TYR 40 -5.300 4.245 -2.931 276 HD2 TYR 40 HD2 TYR 40 -9.177 5.320 -4.309 277 HE1 TYR 40 HE1 TYR 40 -5.266 2.340 -4.470 278 HE2 TYR 40 HE2 TYR 40 -9.159 3.409 -5.856 279 HH TYR 40 HH TYR 40 -7.655 1.933 -6.939
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