NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
625673 | 6ena | 34183 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -12.383 -8.465 -2.862 2 H2 GLY 1 HT2 GLY 1 -11.763 -7.880 -1.377 3 H3 GLY 1 HT3 GLY 1 -10.791 -8.828 -2.378 4 HA2 GLY 1 HA1 GLY 1 -10.722 -7.143 -4.010 5 HA3 GLY 1 HA2 GLY 1 -11.822 -6.166 -3.034 6 H CYS 2 HN CYS 2 -9.221 -5.377 -3.815 7 HA CYS 2 HA CYS 2 -7.986 -5.194 -1.161 8 HB2 CYS 2 HB2 CYS 2 -5.797 -5.354 -2.182 9 HB3 CYS 2 HB1 CYS 2 -6.727 -6.780 -2.645 10 H ILE 3 HN ILE 3 -6.347 -3.305 -1.354 11 HA ILE 3 HA ILE 3 -7.628 -1.083 -2.692 12 HB ILE 3 HB ILE 3 -5.076 -1.138 -1.058 13 HG12 ILE 3 HG12 ILE 3 -7.871 -0.412 -0.180 14 HG13 ILE 3 HG11 ILE 3 -7.027 -1.896 0.253 15 HG21 ILE 3 HG21 ILE 3 -5.482 1.297 -0.829 16 HG22 ILE 3 HG22 ILE 3 -6.881 1.147 -1.897 17 HG23 ILE 3 HG23 ILE 3 -5.261 0.807 -2.509 18 HD11 ILE 3 HD11 ILE 3 -5.324 -0.562 1.404 19 HD12 ILE 3 HD12 ILE 3 -6.942 -0.324 2.061 20 HD13 ILE 3 HD13 ILE 3 -6.233 0.899 1.001 21 H ALA 4 HN ALA 4 -6.896 -0.296 -4.554 22 HA ALA 4 HA ALA 4 -4.959 -1.739 -6.060 23 HB1 ALA 4 HB1 ALA 4 -6.306 0.896 -6.656 24 HB2 ALA 4 HB2 ALA 4 -6.902 -0.696 -7.129 25 HB3 ALA 4 HB3 ALA 4 -5.395 -0.080 -7.808 26 H THR 5 HN THR 5 -2.946 -0.934 -6.818 27 HA THR 5 HA THR 5 -1.707 0.563 -4.783 28 HB THR 5 HB THR 5 0.361 0.201 -5.978 29 HG1 THR 5 HG1 THR 5 -0.720 0.066 -8.126 30 HG21 THR 5 HG21 THR 5 -0.384 -1.401 -4.371 31 HG22 THR 5 HG22 THR 5 0.368 -2.258 -5.719 32 HG23 THR 5 HG23 THR 5 -1.388 -2.205 -5.574 33 H GLY 6 HN GLY 6 -0.890 2.502 -4.785 34 HA2 GLY 6 HA2 GLY 6 -0.471 4.652 -5.766 35 HA3 GLY 6 HA1 GLY 6 -1.631 4.248 -7.033 36 H SER 7 HN SER 7 -3.296 3.016 -4.744 37 HA SER 7 HA SER 7 -4.689 5.460 -4.115 38 HB2 SER 7 HB2 SER 7 -5.467 2.576 -3.673 39 HB3 SER 7 HB1 SER 7 -6.518 3.979 -3.459 40 HG SER 7 HG SER 7 -5.365 4.080 -5.855 41 H PHE 8 HN PHE 8 -5.539 5.742 -1.955 42 HA PHE 8 HA PHE 8 -3.516 5.763 0.018 43 HB2 PHE 8 HB2 PHE 8 -5.163 7.542 -0.210 44 HB3 PHE 8 HB1 PHE 8 -6.470 6.413 0.088 45 HD1 PHE 8 HD1 PHE 8 -3.562 8.085 1.648 46 HD2 PHE 8 HD2 PHE 8 -7.204 5.980 2.280 47 HE1 PHE 8 HE1 PHE 8 -3.493 8.684 4.024 48 HE2 PHE 8 HE2 PHE 8 -7.139 6.567 4.667 49 HZ PHE 8 HZ PHE 8 -5.280 7.927 5.544 50 H CYS 9 HN CYS 9 -3.156 4.400 1.655 51 HA CYS 9 HA CYS 9 -5.091 2.193 2.101 52 HB2 CYS 9 HB2 CYS 9 -3.340 0.720 2.523 53 HB3 CYS 9 HB1 CYS 9 -2.672 1.704 1.223 54 H THR 10 HN THR 10 -5.315 1.490 4.326 55 HA THR 10 HA THR 10 -4.243 3.398 6.236 56 HB THR 10 HB THR 10 -5.911 2.360 7.851 57 HG1 THR 10 HG1 THR 10 -7.605 1.167 6.891 58 HG21 THR 10 HG21 THR 10 -7.858 3.535 6.901 59 HG22 THR 10 HG22 THR 10 -7.044 3.594 5.337 60 HG23 THR 10 HG23 THR 10 -6.378 4.477 6.705 61 H LEU 11 HN LEU 11 -4.250 0.112 5.165 62 HA LEU 11 HA LEU 11 -1.920 -0.476 6.810 63 HB2 LEU 11 HB2 LEU 11 -4.324 -2.281 6.467 64 HB3 LEU 11 HB1 LEU 11 -2.793 -2.783 7.138 65 HG LEU 11 HG LEU 11 -4.625 -0.725 8.383 66 HD11 LEU 11 HD11 LEU 11 -4.143 -3.616 9.099 67 HD12 LEU 11 HD12 LEU 11 -5.621 -2.950 8.403 68 HD13 LEU 11 HD13 LEU 11 -5.116 -2.472 10.024 69 HD21 LEU 11 HD21 LEU 11 -2.276 -0.390 8.971 70 HD22 LEU 11 HD22 LEU 11 -2.135 -2.086 9.427 71 HD23 LEU 11 HD23 LEU 11 -3.179 -1.009 10.352 72 H SER 12 HN SER 12 -0.436 -1.757 5.714 73 HA SER 12 HA SER 12 -0.346 -1.818 2.931 74 HB2 SER 12 HB2 SER 12 1.501 -3.490 3.380 75 HB3 SER 12 HB1 SER 12 1.655 -1.919 4.182 76 HG SER 12 HG SER 12 1.514 -4.365 5.257 77 H LYS 13 HN LYS 13 -1.584 -4.024 5.216 78 HA LYS 13 HA LYS 13 -1.782 -6.469 3.897 79 HB2 LYS 13 HB2 LYS 13 -3.673 -5.225 5.881 80 HB3 LYS 13 HB1 LYS 13 -3.799 -6.877 5.323 81 HG2 LYS 13 HG2 LYS 13 -2.805 -6.888 7.443 82 HG3 LYS 13 HG1 LYS 13 -1.558 -7.285 6.247 83 HD2 LYS 13 HD2 LYS 13 -0.636 -5.058 6.437 84 HD3 LYS 13 HD1 LYS 13 -1.955 -4.571 7.502 85 HE2 LYS 13 HE2 LYS 13 0.102 -5.051 8.754 86 HE3 LYS 13 HE1 LYS 13 -1.212 -6.138 9.194 87 HZ1 LYS 13 HZ1 LYS 13 1.006 -6.804 7.329 88 HZ2 LYS 13 HZ2 LYS 13 -0.210 -7.864 7.828 89 HZ3 LYS 13 HZ3 LYS 13 0.903 -7.278 8.932 90 H GLY 14 HN GLY 14 -3.855 -3.715 3.856 91 HA2 GLY 14 HA2 GLY 14 -6.013 -4.889 2.414 92 HA3 GLY 14 HA1 GLY 14 -5.753 -3.168 2.644 93 H CYS 15 HN CYS 15 -3.007 -3.630 1.392 94 HA CYS 15 HA CYS 15 -3.832 -2.888 -1.272 95 HB2 CYS 15 HB2 CYS 15 -1.063 -3.347 -0.180 96 HB3 CYS 15 HB1 CYS 15 -1.507 -2.418 -1.606 97 H CYS 16 HN CYS 16 -3.619 -4.168 -3.119 98 HA CYS 16 HA CYS 16 -3.407 -6.930 -2.859 99 HB2 CYS 16 HB2 CYS 16 -3.378 -5.147 -5.226 100 HB3 CYS 16 HB1 CYS 16 -2.709 -6.756 -5.464 101 H THR 17 HN THR 17 -0.749 -4.626 -3.448 102 HA THR 17 HA THR 17 1.123 -6.668 -3.971 103 HB THR 17 HB THR 17 2.680 -4.714 -3.516 104 HG1 THR 17 HG1 THR 17 1.755 -2.789 -3.161 105 HG21 THR 17 HG21 THR 17 0.492 -4.519 -5.592 106 HG22 THR 17 HG22 THR 17 2.041 -5.353 -5.783 107 HG23 THR 17 HG23 THR 17 1.985 -3.594 -5.621 108 H LYS 18 HN LYS 18 -0.415 -5.813 -1.072 109 HA LYS 18 HA LYS 18 -0.011 -6.015 1.127 110 HB2 LYS 18 HB2 LYS 18 2.039 -7.975 0.098 111 HB3 LYS 18 HB1 LYS 18 1.811 -7.696 1.815 112 HG2 LYS 18 HG2 LYS 18 -0.329 -8.634 -0.079 113 HG3 LYS 18 HG1 LYS 18 0.613 -9.677 0.989 114 HD2 LYS 18 HD2 LYS 18 -0.233 -8.373 2.931 115 HD3 LYS 18 HD1 LYS 18 -1.253 -7.451 1.828 116 HE2 LYS 18 HE2 LYS 18 -2.487 -9.239 2.940 117 HE3 LYS 18 HE1 LYS 18 -2.435 -9.472 1.196 118 HZ1 LYS 18 HZ1 LYS 18 -2.018 -11.510 2.466 119 HZ2 LYS 18 HZ2 LYS 18 -0.627 -10.817 3.127 120 HZ3 LYS 18 HZ3 LYS 18 -0.725 -11.105 1.464 121 H ASN 19 HN ASN 19 1.437 -4.030 -0.478 122 HA ASN 19 HA ASN 19 3.344 -3.269 1.591 123 HB2 ASN 19 HB2 ASN 19 4.654 -4.234 -0.263 124 HB3 ASN 19 HB1 ASN 19 3.895 -3.106 -1.382 125 HD21 ASN 19 HD21 ASN 19 5.842 -2.091 -1.960 126 HD22 ASN 19 HD22 ASN 19 6.677 -1.078 -0.859 127 H CYS 20 HN CYS 20 2.824 -1.330 2.285 128 HA CYS 20 HA CYS 20 1.860 0.598 0.346 129 HB2 CYS 20 HB2 CYS 20 -0.054 -0.152 1.712 130 HB3 CYS 20 HB1 CYS 20 0.836 0.253 3.179 131 H GLY 21 HN GLY 21 2.768 2.591 0.566 132 HA2 GLY 21 HA2 GLY 21 5.267 2.552 1.966 133 HA3 GLY 21 HA1 GLY 21 4.662 3.810 0.903 134 H TRP 22 HN TRP 22 5.971 4.614 3.045 135 HA TRP 22 HA TRP 22 4.449 5.071 5.349 136 HB2 TRP 22 HB2 TRP 22 6.135 6.692 5.881 137 HB3 TRP 22 HB1 TRP 22 6.957 5.266 5.334 138 HD1 TRP 22 HD1 TRP 22 7.330 5.686 2.300 139 HE1 TRP 22 HE1 TRP 22 8.528 7.732 1.328 140 HE3 TRP 22 HE3 TRP 22 6.910 8.697 6.272 141 HZ2 TRP 22 HZ2 TRP 22 9.238 10.353 2.192 142 HZ3 TRP 22 HZ3 TRP 22 7.883 11.010 6.187 143 HH2 TRP 22 HH2 TRP 22 9.024 11.794 4.169 144 H ASN 23 HN ASN 23 4.258 6.329 2.238 145 HA ASN 23 HA ASN 23 3.200 8.919 2.951 146 HB2 ASN 23 HB2 ASN 23 3.006 9.297 0.582 147 HB3 ASN 23 HB1 ASN 23 4.585 8.601 0.920 148 HD21 ASN 23 HD21 ASN 23 3.103 8.688 -1.558 149 HD22 ASN 23 HD22 ASN 23 2.920 7.054 -2.080 150 H PHE 24 HN PHE 24 2.058 5.899 3.090 151 HA PHE 24 HA PHE 24 0.064 4.989 3.458 152 HB2 PHE 24 HB2 PHE 24 -0.894 7.839 3.369 153 HB3 PHE 24 HB1 PHE 24 -1.994 6.489 3.626 154 HD1 PHE 24 HD1 PHE 24 0.673 8.517 5.064 155 HD2 PHE 24 HD2 PHE 24 -1.897 5.179 5.646 156 HE1 PHE 24 HE1 PHE 24 1.213 8.522 7.460 157 HE2 PHE 24 HE2 PHE 24 -1.361 5.177 8.038 158 HZ PHE 24 HZ PHE 24 0.193 6.848 8.949 159 H LYS 25 HN LYS 25 1.125 5.321 0.759 160 HA LYS 25 HA LYS 25 -1.402 4.691 -0.585 161 HB2 LYS 25 HB2 LYS 25 1.096 5.907 -1.658 162 HB3 LYS 25 HB1 LYS 25 -0.210 5.339 -2.706 163 HG2 LYS 25 HG2 LYS 25 -1.687 7.023 -1.756 164 HG3 LYS 25 HG1 LYS 25 -0.418 7.526 -0.635 165 HD2 LYS 25 HD2 LYS 25 0.995 8.138 -2.550 166 HD3 LYS 25 HD1 LYS 25 -0.317 7.697 -3.644 167 HE2 LYS 25 HE2 LYS 25 -1.714 9.428 -2.751 168 HE3 LYS 25 HE1 LYS 25 -0.536 9.775 -1.484 169 HZ1 LYS 25 HZ1 LYS 25 1.015 10.467 -3.197 170 HZ2 LYS 25 HZ2 LYS 25 -0.383 11.395 -3.225 171 HZ3 LYS 25 HZ3 LYS 25 -0.143 10.201 -4.392 172 H CYS 26 HN CYS 26 -1.448 2.787 -1.676 173 HA CYS 26 HA CYS 26 0.333 0.783 -0.824 174 HB2 CYS 26 HB2 CYS 26 -1.751 0.785 -2.985 175 HB3 CYS 26 HB1 CYS 26 -0.955 -0.674 -2.373 176 H ASN 27 HN ASN 27 2.157 0.002 -1.710 177 HA ASN 27 HA ASN 27 3.035 1.212 -4.238 178 HB2 ASN 27 HB2 ASN 27 4.668 0.523 -1.781 179 HB3 ASN 27 HB1 ASN 27 5.384 0.900 -3.337 180 HD21 ASN 27 HD21 ASN 27 5.751 2.239 -0.851 181 HD22 ASN 27 HD22 ASN 27 5.217 3.867 -1.072 182 HA HYP 28 HA HYP 28 3.827 -2.944 -5.685 183 HB2 HYP 28 HB1 HYP 28 5.095 -2.702 -7.631 184 HB3 HYP 28 HB2 HYP 28 6.315 -1.715 -6.816 185 HG HYP 28 HG HYP 28 5.056 -0.136 -8.081 186 HD22 HYP 28 HD11 HYP 28 3.397 0.645 -6.109 187 HD23 HYP 28 HD12 HYP 28 5.158 0.751 -5.882 188 HD1 HYP 28 HD2 HYP 28 2.748 -0.177 -7.819 189 HA HYP 29 HA HYP 29 6.890 -4.711 -2.991 190 HB2 HYP 29 HB1 HYP 29 6.718 -6.925 -3.418 191 HB3 HYP 29 HB2 HYP 29 7.604 -6.737 -4.940 192 HG HYP 29 HG HYP 29 5.372 -7.305 -5.681 193 HD22 HYP 29 HD11 HYP 29 4.468 -4.884 -6.155 194 HD23 HYP 29 HD12 HYP 29 6.132 -5.212 -6.713 195 HD1 HYP 29 HD2 HYP 29 4.515 -5.441 -3.839 196 H ASN 30 HN ASN 30 9.006 -4.546 -2.615 197 HA ASN 30 HA ASN 30 11.093 -3.821 -2.767 198 HB2 ASN 30 HB2 ASN 30 11.477 -5.950 -3.933 199 HB3 ASN 30 HB1 ASN 30 11.049 -5.206 -5.467 200 HD21 ASN 30 HD21 ASN 30 13.057 -5.776 -6.327 201 HD22 ASN 30 HD22 ASN 30 14.510 -4.952 -5.897 202 H GLN 31 HN GLN 31 10.127 -1.792 -2.766 203 HA GLN 31 HA GLN 31 10.978 -0.179 -5.066 204 HB2 GLN 31 HB2 GLN 31 8.433 0.136 -3.452 205 HB3 GLN 31 HB1 GLN 31 9.052 1.363 -4.544 206 HG2 GLN 31 HG2 GLN 31 8.346 -1.427 -5.399 207 HG3 GLN 31 HG1 GLN 31 7.226 -0.071 -5.458 208 HE21 GLN 31 HE21 GLN 31 10.127 -1.434 -6.786 209 HE22 GLN 31 HE22 GLN 31 10.154 -0.460 -8.223 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -11.450 -8.336 -1.931 2 H2 GLY 1 HT2 GLY 1 -12.729 -8.151 -3.022 3 H3 GLY 1 HT3 GLY 1 -12.478 -7.004 -1.801 4 HA2 GLY 1 HA1 GLY 1 -10.675 -7.571 -4.037 5 HA3 GLY 1 HA2 GLY 1 -11.734 -6.168 -3.910 6 H CYS 2 HN CYS 2 -8.777 -6.362 -4.078 7 HA CYS 2 HA CYS 2 -7.943 -5.383 -1.462 8 HB2 CYS 2 HB2 CYS 2 -5.651 -5.595 -2.438 9 HB3 CYS 2 HB1 CYS 2 -6.539 -7.115 -2.400 10 H ILE 3 HN ILE 3 -6.526 -3.462 -1.444 11 HA ILE 3 HA ILE 3 -7.673 -1.365 -3.034 12 HB ILE 3 HB ILE 3 -5.410 -1.253 -1.010 13 HG12 ILE 3 HG12 ILE 3 -8.347 -0.618 -0.663 14 HG13 ILE 3 HG11 ILE 3 -7.546 -2.061 -0.054 15 HG21 ILE 3 HG21 ILE 3 -5.918 1.159 -0.924 16 HG22 ILE 3 HG22 ILE 3 -7.100 0.943 -2.217 17 HG23 ILE 3 HG23 ILE 3 -5.390 0.647 -2.528 18 HD11 ILE 3 HD11 ILE 3 -6.946 0.769 0.757 19 HD12 ILE 3 HD12 ILE 3 -6.152 -0.677 1.382 20 HD13 ILE 3 HD13 ILE 3 -7.869 -0.408 1.690 21 H ALA 4 HN ALA 4 -6.930 -0.758 -4.905 22 HA ALA 4 HA ALA 4 -4.694 -1.947 -6.125 23 HB1 ALA 4 HB1 ALA 4 -5.126 -0.418 -7.986 24 HB2 ALA 4 HB2 ALA 4 -6.256 0.486 -6.979 25 HB3 ALA 4 HB3 ALA 4 -6.608 -1.186 -7.423 26 H THR 5 HN THR 5 -2.746 -1.009 -6.765 27 HA THR 5 HA THR 5 -1.676 0.576 -4.727 28 HB THR 5 HB THR 5 0.429 0.384 -5.923 29 HG1 THR 5 HG1 THR 5 0.462 -0.855 -7.855 30 HG21 THR 5 HG21 THR 5 -1.154 -2.153 -5.661 31 HG22 THR 5 HG22 THR 5 -0.258 -1.324 -4.386 32 HG23 THR 5 HG23 THR 5 0.602 -2.053 -5.742 33 H GLY 6 HN GLY 6 -0.815 2.597 -4.763 34 HA2 GLY 6 HA2 GLY 6 -0.546 4.754 -5.738 35 HA3 GLY 6 HA1 GLY 6 -1.781 4.334 -6.926 36 H SER 7 HN SER 7 -3.320 3.067 -4.633 37 HA SER 7 HA SER 7 -4.721 5.495 -3.936 38 HB2 SER 7 HB2 SER 7 -5.474 2.604 -3.525 39 HB3 SER 7 HB1 SER 7 -6.511 3.986 -3.167 40 HG SER 7 HG SER 7 -5.496 3.205 -5.716 41 H PHE 8 HN PHE 8 -5.591 5.731 -1.736 42 HA PHE 8 HA PHE 8 -3.522 5.889 0.151 43 HB2 PHE 8 HB2 PHE 8 -5.353 7.490 0.099 44 HB3 PHE 8 HB1 PHE 8 -6.509 6.218 0.445 45 HD1 PHE 8 HD1 PHE 8 -3.615 8.040 1.878 46 HD2 PHE 8 HD2 PHE 8 -7.091 5.715 2.647 47 HE1 PHE 8 HE1 PHE 8 -3.408 8.531 4.259 48 HE2 PHE 8 HE2 PHE 8 -6.880 6.202 5.041 49 HZ PHE 8 HZ PHE 8 -5.028 7.615 5.849 50 H CYS 9 HN CYS 9 -2.826 4.528 1.615 51 HA CYS 9 HA CYS 9 -4.468 2.181 2.248 52 HB2 CYS 9 HB2 CYS 9 -2.399 0.950 2.613 53 HB3 CYS 9 HB1 CYS 9 -2.486 1.577 0.972 54 H THR 10 HN THR 10 -4.802 1.730 4.335 55 HA THR 10 HA THR 10 -3.383 3.307 6.319 56 HB THR 10 HB THR 10 -5.210 2.402 7.855 57 HG1 THR 10 HG1 THR 10 -7.053 1.591 6.843 58 HG21 THR 10 HG21 THR 10 -5.249 4.686 7.036 59 HG22 THR 10 HG22 THR 10 -6.888 4.025 7.013 60 HG23 THR 10 HG23 THR 10 -5.966 4.149 5.521 61 H LEU 11 HN LEU 11 -4.076 0.097 5.151 62 HA LEU 11 HA LEU 11 -2.073 -1.016 6.962 63 HB2 LEU 11 HB2 LEU 11 -4.719 -2.274 6.217 64 HB3 LEU 11 HB1 LEU 11 -3.455 -3.051 7.141 65 HG LEU 11 HG LEU 11 -5.012 -0.627 8.051 66 HD11 LEU 11 HD11 LEU 11 -5.246 -3.521 8.835 67 HD12 LEU 11 HD12 LEU 11 -6.430 -2.588 7.919 68 HD13 LEU 11 HD13 LEU 11 -6.094 -2.181 9.602 69 HD21 LEU 11 HD21 LEU 11 -4.006 -1.104 10.238 70 HD22 LEU 11 HD22 LEU 11 -2.779 -0.730 9.031 71 HD23 LEU 11 HD23 LEU 11 -3.056 -2.404 9.518 72 H SER 12 HN SER 12 -0.677 -2.363 5.931 73 HA SER 12 HA SER 12 -0.422 -2.344 3.133 74 HB2 SER 12 HB2 SER 12 1.283 -4.141 3.641 75 HB3 SER 12 HB1 SER 12 1.515 -2.590 4.454 76 HG SER 12 HG SER 12 1.491 -3.683 6.200 77 H LYS 13 HN LYS 13 -1.925 -4.471 5.277 78 HA LYS 13 HA LYS 13 -1.966 -6.845 3.734 79 HB2 LYS 13 HB2 LYS 13 -3.805 -6.038 5.990 80 HB3 LYS 13 HB1 LYS 13 -3.646 -7.659 5.338 81 HG2 LYS 13 HG2 LYS 13 -2.240 -7.881 7.118 82 HG3 LYS 13 HG1 LYS 13 -1.138 -7.209 5.897 83 HD2 LYS 13 HD2 LYS 13 -1.410 -4.959 6.846 84 HD3 LYS 13 HD1 LYS 13 -2.546 -5.597 8.031 85 HE2 LYS 13 HE2 LYS 13 -0.380 -5.265 9.030 86 HE3 LYS 13 HE1 LYS 13 -0.730 -6.987 8.944 87 HZ1 LYS 13 HZ1 LYS 13 1.547 -6.426 8.315 88 HZ2 LYS 13 HZ2 LYS 13 1.013 -5.513 7.020 89 HZ3 LYS 13 HZ3 LYS 13 0.757 -7.184 7.047 90 H GLY 14 HN GLY 14 -3.821 -4.081 3.752 91 HA2 GLY 14 HA2 GLY 14 -6.112 -5.222 2.343 92 HA3 GLY 14 HA1 GLY 14 -5.906 -3.528 2.763 93 H CYS 15 HN CYS 15 -3.117 -3.862 1.474 94 HA CYS 15 HA CYS 15 -3.932 -2.814 -1.088 95 HB2 CYS 15 HB2 CYS 15 -1.213 -3.343 0.074 96 HB3 CYS 15 HB1 CYS 15 -1.517 -2.471 -1.425 97 H CYS 16 HN CYS 16 -3.419 -3.687 -3.113 98 HA CYS 16 HA CYS 16 -3.519 -6.479 -3.332 99 HB2 CYS 16 HB2 CYS 16 -2.726 -4.474 -5.447 100 HB3 CYS 16 HB1 CYS 16 -3.235 -6.137 -5.733 101 H THR 17 HN THR 17 -0.717 -4.300 -3.220 102 HA THR 17 HA THR 17 1.101 -6.444 -3.906 103 HB THR 17 HB THR 17 2.739 -4.601 -3.298 104 HG1 THR 17 HG1 THR 17 1.866 -2.557 -3.136 105 HG21 THR 17 HG21 THR 17 0.732 -4.200 -5.516 106 HG22 THR 17 HG22 THR 17 2.226 -5.144 -5.611 107 HG23 THR 17 HG23 THR 17 2.288 -3.389 -5.405 108 H LYS 18 HN LYS 18 -0.638 -5.704 -1.207 109 HA LYS 18 HA LYS 18 -0.427 -5.610 0.968 110 HB2 LYS 18 HB2 LYS 18 1.534 -7.789 0.315 111 HB3 LYS 18 HB1 LYS 18 1.080 -7.390 1.969 112 HG2 LYS 18 HG2 LYS 18 -1.256 -7.856 1.450 113 HG3 LYS 18 HG1 LYS 18 -0.812 -8.241 -0.214 114 HD2 LYS 18 HD2 LYS 18 0.512 -10.077 0.502 115 HD3 LYS 18 HD1 LYS 18 0.287 -9.622 2.198 116 HE2 LYS 18 HE2 LYS 18 -1.160 -11.511 1.621 117 HE3 LYS 18 HE1 LYS 18 -2.115 -10.082 1.989 118 HZ1 LYS 18 HZ1 LYS 18 -1.493 -11.053 -0.760 119 HZ2 LYS 18 HZ2 LYS 18 -2.449 -9.722 -0.367 120 HZ3 LYS 18 HZ3 LYS 18 -2.958 -11.237 0.040 121 H ASN 19 HN ASN 19 1.279 -3.754 -0.521 122 HA ASN 19 HA ASN 19 3.189 -3.160 1.634 123 HB2 ASN 19 HB2 ASN 19 4.428 -3.712 -0.393 124 HB3 ASN 19 HB1 ASN 19 3.459 -2.571 -1.319 125 HD21 ASN 19 HD21 ASN 19 5.207 -1.349 -1.933 126 HD22 ASN 19 HD22 ASN 19 6.084 -0.341 -0.842 127 H CYS 20 HN CYS 20 2.641 -1.467 2.729 128 HA CYS 20 HA CYS 20 1.171 0.700 1.412 129 HB2 CYS 20 HB2 CYS 20 -0.120 -0.392 3.227 130 HB3 CYS 20 HB1 CYS 20 1.222 -0.137 4.335 131 H GLY 21 HN GLY 21 2.350 2.539 1.278 132 HA2 GLY 21 HA2 GLY 21 4.989 2.454 2.535 133 HA3 GLY 21 HA1 GLY 21 4.481 3.489 1.204 134 H TRP 22 HN TRP 22 5.859 4.776 3.034 135 HA TRP 22 HA TRP 22 4.196 5.812 5.113 136 HB2 TRP 22 HB2 TRP 22 6.137 7.433 5.314 137 HB3 TRP 22 HB1 TRP 22 6.503 5.834 5.839 138 HD1 TRP 22 HD1 TRP 22 7.947 4.378 3.755 139 HE1 TRP 22 HE1 TRP 22 9.787 5.346 2.237 140 HE3 TRP 22 HE3 TRP 22 6.875 9.152 4.399 141 HZ2 TRP 22 HZ2 TRP 22 10.680 7.933 1.428 142 HZ3 TRP 22 HZ3 TRP 22 8.251 10.953 3.236 143 HH2 TRP 22 HH2 TRP 22 10.118 10.305 1.787 144 H ASN 23 HN ASN 23 4.361 6.282 1.921 145 HA ASN 23 HA ASN 23 3.613 9.094 1.919 146 HB2 ASN 23 HB2 ASN 23 3.418 8.839 -0.512 147 HB3 ASN 23 HB1 ASN 23 4.949 8.157 0.020 148 HD21 ASN 23 HD21 ASN 23 3.482 7.619 -2.412 149 HD22 ASN 23 HD22 ASN 23 3.141 5.929 -2.418 150 H PHE 24 HN PHE 24 2.237 6.282 2.771 151 HA PHE 24 HA PHE 24 0.216 5.545 3.244 152 HB2 PHE 24 HB2 PHE 24 -0.479 8.441 2.839 153 HB3 PHE 24 HB1 PHE 24 -1.721 7.252 3.201 154 HD1 PHE 24 HD1 PHE 24 1.517 8.579 4.468 155 HD2 PHE 24 HD2 PHE 24 -2.161 6.658 5.374 156 HE1 PHE 24 HE1 PHE 24 2.023 8.753 6.863 157 HE2 PHE 24 HE2 PHE 24 -1.663 6.831 7.776 158 HZ PHE 24 HZ PHE 24 0.429 7.876 8.520 159 H LYS 25 HN LYS 25 1.210 5.356 0.569 160 HA LYS 25 HA LYS 25 -1.364 4.792 -0.708 161 HB2 LYS 25 HB2 LYS 25 1.250 5.577 -1.964 162 HB3 LYS 25 HB1 LYS 25 -0.081 4.883 -2.875 163 HG2 LYS 25 HG2 LYS 25 -1.469 6.813 -2.275 164 HG3 LYS 25 HG1 LYS 25 -0.103 7.495 -1.381 165 HD2 LYS 25 HD2 LYS 25 1.211 7.626 -3.389 166 HD3 LYS 25 HD1 LYS 25 -0.042 6.800 -4.312 167 HE2 LYS 25 HE2 LYS 25 -0.332 9.480 -2.971 168 HE3 LYS 25 HE1 LYS 25 -0.034 9.227 -4.692 169 HZ1 LYS 25 HZ1 LYS 25 -2.362 9.591 -4.363 170 HZ2 LYS 25 HZ2 LYS 25 -2.453 8.428 -3.166 171 HZ3 LYS 25 HZ3 LYS 25 -2.156 7.961 -4.755 172 H CYS 26 HN CYS 26 -1.561 2.802 -1.635 173 HA CYS 26 HA CYS 26 0.138 0.715 -0.756 174 HB2 CYS 26 HB2 CYS 26 -1.945 0.876 -2.921 175 HB3 CYS 26 HB1 CYS 26 -1.190 -0.646 -2.439 176 H ASN 27 HN ASN 27 2.061 0.285 -1.565 177 HA ASN 27 HA ASN 27 2.754 1.532 -4.133 178 HB2 ASN 27 HB2 ASN 27 4.437 1.095 -1.667 179 HB3 ASN 27 HB1 ASN 27 5.105 1.599 -3.216 180 HD21 ASN 27 HD21 ASN 27 5.168 2.956 -0.701 181 HD22 ASN 27 HD22 ASN 27 4.325 4.451 -0.882 182 HA HYP 28 HA HYP 28 4.039 -2.412 -5.596 183 HB2 HYP 28 HB1 HYP 28 4.936 -1.859 -7.639 184 HB3 HYP 28 HB2 HYP 28 6.448 -1.357 -6.875 185 HG HYP 28 HG HYP 28 5.633 0.727 -7.649 186 HD22 HYP 28 HD11 HYP 28 4.273 1.566 -5.558 187 HD23 HYP 28 HD12 HYP 28 5.911 0.932 -5.265 188 HD1 HYP 28 HD2 HYP 28 3.349 -0.598 -7.674 189 HA HYP 29 HA HYP 29 7.004 -4.196 -2.817 190 HB2 HYP 29 HB1 HYP 29 6.899 -6.401 -3.355 191 HB3 HYP 29 HB2 HYP 29 7.843 -6.146 -4.828 192 HG HYP 29 HG HYP 29 5.686 -6.694 -5.685 193 HD22 HYP 29 HD11 HYP 29 4.728 -4.277 -6.087 194 HD23 HYP 29 HD12 HYP 29 6.420 -4.539 -6.590 195 HD1 HYP 29 HD2 HYP 29 4.680 -4.948 -3.799 196 H ASN 30 HN ASN 30 8.738 -2.994 -2.440 197 HA ASN 30 HA ASN 30 11.114 -3.367 -4.118 198 HB2 ASN 30 HB2 ASN 30 9.998 -0.687 -3.241 199 HB3 ASN 30 HB1 ASN 30 11.679 -0.898 -3.705 200 HD21 ASN 30 HD21 ASN 30 12.166 -1.280 -5.835 201 HD22 ASN 30 HD22 ASN 30 11.084 -0.991 -7.130 202 H GLN 31 HN GLN 31 9.896 -4.143 -1.494 203 HA GLN 31 HA GLN 31 11.826 -3.068 0.405 204 HB2 GLN 31 HB2 GLN 31 9.249 -4.600 0.810 205 HB3 GLN 31 HB1 GLN 31 10.334 -4.163 2.120 206 HG2 GLN 31 HG2 GLN 31 8.483 -2.640 2.071 207 HG3 GLN 31 HG1 GLN 31 9.931 -1.779 1.572 208 HE21 GLN 31 HE21 GLN 31 8.893 -0.231 0.483 209 HE22 GLN 31 HE22 GLN 31 8.052 -0.482 -0.997 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -12.798 -7.737 -1.726 2 H2 GLY 1 HT2 GLY 1 -12.099 -6.729 -0.548 3 H3 GLY 1 HT3 GLY 1 -11.303 -8.111 -1.053 4 HA2 GLY 1 HA1 GLY 1 -10.955 -7.213 -3.226 5 HA3 GLY 1 HA2 GLY 1 -11.851 -5.778 -2.742 6 H CYS 2 HN CYS 2 -9.129 -5.846 -3.649 7 HA CYS 2 HA CYS 2 -7.758 -5.102 -1.179 8 HB2 CYS 2 HB2 CYS 2 -5.653 -5.518 -2.405 9 HB3 CYS 2 HB1 CYS 2 -6.652 -6.960 -2.287 10 H ILE 3 HN ILE 3 -6.370 -3.265 -1.296 11 HA ILE 3 HA ILE 3 -7.509 -1.143 -2.858 12 HB ILE 3 HB ILE 3 -5.103 -1.086 -1.000 13 HG12 ILE 3 HG12 ILE 3 -7.976 -0.371 -0.435 14 HG13 ILE 3 HG11 ILE 3 -7.191 -1.847 0.114 15 HG21 ILE 3 HG21 ILE 3 -5.185 0.795 -2.544 16 HG22 ILE 3 HG22 ILE 3 -5.552 1.330 -0.901 17 HG23 ILE 3 HG23 ILE 3 -6.853 1.128 -2.075 18 HD11 ILE 3 HD11 ILE 3 -6.447 0.961 0.897 19 HD12 ILE 3 HD12 ILE 3 -5.624 -0.504 1.437 20 HD13 ILE 3 HD13 ILE 3 -7.303 -0.212 1.900 21 H ALA 4 HN ALA 4 -6.833 -0.614 -4.767 22 HA ALA 4 HA ALA 4 -4.711 -1.936 -6.092 23 HB1 ALA 4 HB1 ALA 4 -5.191 -0.425 -7.952 24 HB2 ALA 4 HB2 ALA 4 -6.199 0.561 -6.898 25 HB3 ALA 4 HB3 ALA 4 -6.683 -1.090 -7.286 26 H THR 5 HN THR 5 -2.714 -1.128 -6.729 27 HA THR 5 HA THR 5 -1.603 0.528 -4.787 28 HB THR 5 HB THR 5 0.473 0.335 -6.053 29 HG1 THR 5 HG1 THR 5 -0.507 0.008 -8.173 30 HG21 THR 5 HG21 THR 5 -1.036 -2.193 -5.451 31 HG22 THR 5 HG22 THR 5 -0.070 -1.226 -4.333 32 HG23 THR 5 HG23 THR 5 0.711 -2.087 -5.655 33 H GLY 6 HN GLY 6 -0.872 2.532 -4.804 34 HA2 GLY 6 HA2 GLY 6 -0.586 4.675 -5.833 35 HA3 GLY 6 HA1 GLY 6 -1.798 4.213 -7.025 36 H SER 7 HN SER 7 -3.437 2.995 -4.795 37 HA SER 7 HA SER 7 -4.815 5.457 -4.129 38 HB2 SER 7 HB2 SER 7 -5.629 2.594 -3.610 39 HB3 SER 7 HB1 SER 7 -6.664 4.021 -3.537 40 HG SER 7 HG SER 7 -5.322 3.690 -5.910 41 H PHE 8 HN PHE 8 -5.599 5.787 -1.902 42 HA PHE 8 HA PHE 8 -3.588 5.667 0.044 43 HB2 PHE 8 HB2 PHE 8 -5.232 7.424 0.031 44 HB3 PHE 8 HB1 PHE 8 -6.545 6.274 0.240 45 HD1 PHE 8 HD1 PHE 8 -3.650 7.875 1.877 46 HD2 PHE 8 HD2 PHE 8 -7.188 5.573 2.417 47 HE1 PHE 8 HE1 PHE 8 -3.524 8.246 4.301 48 HE2 PHE 8 HE2 PHE 8 -7.061 5.934 4.838 49 HZ PHE 8 HZ PHE 8 -5.229 7.269 5.786 50 H CYS 9 HN CYS 9 -3.153 4.280 1.612 51 HA CYS 9 HA CYS 9 -5.025 2.038 2.092 52 HB2 CYS 9 HB2 CYS 9 -3.241 0.596 2.450 53 HB3 CYS 9 HB1 CYS 9 -2.590 1.614 1.171 54 H THR 10 HN THR 10 -5.301 1.493 4.296 55 HA THR 10 HA THR 10 -4.288 3.470 6.159 56 HB THR 10 HB THR 10 -5.786 2.150 7.794 57 HG1 THR 10 HG1 THR 10 -7.499 1.056 6.666 58 HG21 THR 10 HG21 THR 10 -6.416 4.347 6.933 59 HG22 THR 10 HG22 THR 10 -7.831 3.296 7.009 60 HG23 THR 10 HG23 THR 10 -7.045 3.608 5.464 61 H LEU 11 HN LEU 11 -4.153 0.099 5.282 62 HA LEU 11 HA LEU 11 -1.771 -0.277 6.925 63 HB2 LEU 11 HB2 LEU 11 -4.035 -2.261 6.620 64 HB3 LEU 11 HB1 LEU 11 -2.535 -2.552 7.465 65 HG LEU 11 HG LEU 11 -4.697 -0.619 8.311 66 HD11 LEU 11 HD11 LEU 11 -3.841 -3.261 9.460 67 HD12 LEU 11 HD12 LEU 11 -5.327 -2.949 8.569 68 HD13 LEU 11 HD13 LEU 11 -5.060 -2.182 10.138 69 HD21 LEU 11 HD21 LEU 11 -3.407 -0.391 10.384 70 HD22 LEU 11 HD22 LEU 11 -2.494 0.182 8.992 71 HD23 LEU 11 HD23 LEU 11 -2.122 -1.387 9.702 72 H SER 12 HN SER 12 -0.320 -1.763 5.977 73 HA SER 12 HA SER 12 -0.021 -1.759 3.221 74 HB2 SER 12 HB2 SER 12 1.675 -3.547 3.710 75 HB3 SER 12 HB1 SER 12 1.867 -2.041 4.617 76 HG SER 12 HG SER 12 1.301 -3.034 6.423 77 H LYS 13 HN LYS 13 -1.565 -4.016 5.270 78 HA LYS 13 HA LYS 13 -1.568 -6.277 3.549 79 HB2 LYS 13 HB2 LYS 13 -3.292 -5.673 5.947 80 HB3 LYS 13 HB1 LYS 13 -3.283 -7.204 5.088 81 HG2 LYS 13 HG2 LYS 13 -1.877 -7.634 6.851 82 HG3 LYS 13 HG1 LYS 13 -0.795 -7.158 5.523 83 HD2 LYS 13 HD2 LYS 13 -0.627 -4.907 6.464 84 HD3 LYS 13 HD1 LYS 13 -1.681 -5.381 7.800 85 HE2 LYS 13 HE2 LYS 13 0.604 -5.434 8.554 86 HE3 LYS 13 HE1 LYS 13 0.033 -7.095 8.417 87 HZ1 LYS 13 HZ1 LYS 13 1.667 -5.690 6.371 88 HZ2 LYS 13 HZ2 LYS 13 1.219 -7.311 6.322 89 HZ3 LYS 13 HZ3 LYS 13 2.276 -6.767 7.505 90 H GLY 14 HN GLY 14 -3.523 -3.629 3.915 91 HA2 GLY 14 HA2 GLY 14 -5.897 -4.579 2.609 92 HA3 GLY 14 HA1 GLY 14 -5.480 -2.885 2.822 93 H CYS 15 HN CYS 15 -2.889 -3.391 1.460 94 HA CYS 15 HA CYS 15 -3.708 -2.592 -1.146 95 HB2 CYS 15 HB2 CYS 15 -1.001 -3.323 -0.073 96 HB3 CYS 15 HB1 CYS 15 -1.323 -2.446 -1.569 97 H CYS 16 HN CYS 16 -3.457 -3.659 -3.101 98 HA CYS 16 HA CYS 16 -3.758 -6.441 -3.156 99 HB2 CYS 16 HB2 CYS 16 -2.831 -4.645 -5.411 100 HB3 CYS 16 HB1 CYS 16 -3.452 -6.280 -5.593 101 H THR 17 HN THR 17 -0.788 -4.439 -3.499 102 HA THR 17 HA THR 17 0.867 -6.693 -4.063 103 HB THR 17 HB THR 17 2.654 -4.973 -3.572 104 HG1 THR 17 HG1 THR 17 1.974 -2.877 -3.199 105 HG21 THR 17 HG21 THR 17 0.531 -4.308 -5.612 106 HG22 THR 17 HG22 THR 17 1.875 -5.430 -5.852 107 HG23 THR 17 HG23 THR 17 2.183 -3.702 -5.622 108 H LYS 18 HN LYS 18 -0.666 -5.664 -1.312 109 HA LYS 18 HA LYS 18 -0.466 -5.900 0.907 110 HB2 LYS 18 HB2 LYS 18 1.587 -7.987 0.134 111 HB3 LYS 18 HB1 LYS 18 0.984 -7.743 1.765 112 HG2 LYS 18 HG2 LYS 18 -0.721 -8.510 -0.596 113 HG3 LYS 18 HG1 LYS 18 -0.081 -9.632 0.607 114 HD2 LYS 18 HD2 LYS 18 -1.304 -8.434 2.361 115 HD3 LYS 18 HD1 LYS 18 -1.960 -7.336 1.148 116 HE2 LYS 18 HE2 LYS 18 -3.026 -9.241 0.020 117 HE3 LYS 18 HE1 LYS 18 -2.400 -10.312 1.271 118 HZ1 LYS 18 HZ1 LYS 18 -4.192 -8.016 1.832 119 HZ2 LYS 18 HZ2 LYS 18 -3.743 -9.225 2.907 120 HZ3 LYS 18 HZ3 LYS 18 -4.745 -9.585 1.603 121 H ASN 19 HN ASN 19 1.377 -4.113 -0.661 122 HA ASN 19 HA ASN 19 3.229 -3.504 1.535 123 HB2 ASN 19 HB2 ASN 19 4.490 -4.469 -0.364 124 HB3 ASN 19 HB1 ASN 19 3.793 -3.258 -1.434 125 HD21 ASN 19 HD21 ASN 19 5.719 -2.261 -2.005 126 HD22 ASN 19 HD22 ASN 19 6.694 -1.416 -0.874 127 H CYS 20 HN CYS 20 3.042 -1.468 2.218 128 HA CYS 20 HA CYS 20 2.045 0.565 0.399 129 HB2 CYS 20 HB2 CYS 20 0.112 -0.294 1.826 130 HB3 CYS 20 HB1 CYS 20 1.032 0.217 3.229 131 H GLY 21 HN GLY 21 2.910 2.632 0.954 132 HA2 GLY 21 HA2 GLY 21 5.260 2.343 2.680 133 HA3 GLY 21 HA1 GLY 21 5.021 3.584 1.454 134 H TRP 22 HN TRP 22 5.869 4.735 3.537 135 HA TRP 22 HA TRP 22 3.915 5.312 5.509 136 HB2 TRP 22 HB2 TRP 22 5.507 7.117 6.099 137 HB3 TRP 22 HB1 TRP 22 6.220 5.557 6.282 138 HD1 TRP 22 HD1 TRP 22 7.879 4.922 3.943 139 HE1 TRP 22 HE1 TRP 22 9.465 6.556 2.739 140 HE3 TRP 22 HE3 TRP 22 5.911 9.117 5.657 141 HZ2 TRP 22 HZ2 TRP 22 9.813 9.387 2.578 142 HZ3 TRP 22 HZ3 TRP 22 6.882 11.366 4.983 143 HH2 TRP 22 HH2 TRP 22 8.808 11.451 3.469 144 H ASN 23 HN ASN 23 4.272 6.179 2.377 145 HA ASN 23 HA ASN 23 3.213 8.841 2.449 146 HB2 ASN 23 HB2 ASN 23 3.014 8.577 0.011 147 HB3 ASN 23 HB1 ASN 23 4.603 8.054 0.546 148 HD21 ASN 23 HD21 ASN 23 3.251 7.365 -1.894 149 HD22 ASN 23 HD22 ASN 23 3.061 5.651 -1.912 150 H PHE 24 HN PHE 24 2.019 5.758 2.966 151 HA PHE 24 HA PHE 24 0.043 4.841 3.294 152 HB2 PHE 24 HB2 PHE 24 -0.722 7.718 3.525 153 HB3 PHE 24 HB1 PHE 24 -1.981 6.484 3.535 154 HD1 PHE 24 HD1 PHE 24 1.208 7.421 5.200 155 HD2 PHE 24 HD2 PHE 24 -2.501 5.375 5.475 156 HE1 PHE 24 HE1 PHE 24 1.638 6.977 7.573 157 HE2 PHE 24 HE2 PHE 24 -2.086 4.930 7.860 158 HZ PHE 24 HZ PHE 24 0.001 5.733 8.909 159 H LYS 25 HN LYS 25 1.019 5.165 0.706 160 HA LYS 25 HA LYS 25 -1.488 4.679 -0.709 161 HB2 LYS 25 HB2 LYS 25 1.082 5.850 -1.670 162 HB3 LYS 25 HB1 LYS 25 -0.157 5.280 -2.786 163 HG2 LYS 25 HG2 LYS 25 -1.668 7.014 -1.975 164 HG3 LYS 25 HG1 LYS 25 -0.474 7.517 -0.770 165 HD2 LYS 25 HD2 LYS 25 1.087 8.102 -2.561 166 HD3 LYS 25 HD1 LYS 25 -0.095 7.580 -3.757 167 HE2 LYS 25 HE2 LYS 25 -0.583 9.798 -1.777 168 HE3 LYS 25 HE1 LYS 25 0.054 10.072 -3.394 169 HZ1 LYS 25 HZ1 LYS 25 -1.991 9.144 -4.310 170 HZ2 LYS 25 HZ2 LYS 25 -2.335 10.425 -3.289 171 HZ3 LYS 25 HZ3 LYS 25 -2.596 8.859 -2.761 172 H CYS 26 HN CYS 26 -1.520 2.784 -1.765 173 HA CYS 26 HA CYS 26 0.229 0.764 -0.913 174 HB2 CYS 26 HB2 CYS 26 -1.870 0.912 -3.032 175 HB3 CYS 26 HB1 CYS 26 -1.071 -0.610 -2.579 176 H ASN 27 HN ASN 27 2.074 0.031 -1.757 177 HA ASN 27 HA ASN 27 2.999 1.294 -4.253 178 HB2 ASN 27 HB2 ASN 27 4.548 0.759 -1.699 179 HB3 ASN 27 HB1 ASN 27 5.307 1.210 -3.214 180 HD21 ASN 27 HD21 ASN 27 5.440 2.561 -0.685 181 HD22 ASN 27 HD22 ASN 27 4.778 4.140 -0.915 182 HA HYP 28 HA HYP 28 4.124 -2.892 -5.408 183 HB2 HYP 28 HB1 HYP 28 4.907 -2.500 -7.526 184 HB3 HYP 28 HB2 HYP 28 6.481 -2.083 -6.847 185 HG HYP 28 HG HYP 28 5.985 0.009 -7.664 186 HD22 HYP 28 HD11 HYP 28 4.199 1.054 -5.919 187 HD23 HYP 28 HD12 HYP 28 5.834 0.611 -5.377 188 HD1 HYP 28 HD2 HYP 28 3.389 -0.941 -7.580 189 HA HYP 29 HA HYP 29 7.252 -3.881 -2.363 190 HB2 HYP 29 HB1 HYP 29 7.204 -6.169 -2.340 191 HB3 HYP 29 HB2 HYP 29 8.064 -6.237 -3.885 192 HG HYP 29 HG HYP 29 5.960 -7.057 -4.507 193 HD22 HYP 29 HD11 HYP 29 4.742 -4.838 -5.284 194 HD23 HYP 29 HD12 HYP 29 6.388 -5.124 -5.913 195 HD1 HYP 29 HD2 HYP 29 4.604 -5.087 -3.183 196 H ASN 30 HN ASN 30 9.034 -2.657 -2.365 197 HA ASN 30 HA ASN 30 10.836 -2.743 -4.669 198 HB2 ASN 30 HB2 ASN 30 10.368 -0.668 -2.549 199 HB3 ASN 30 HB1 ASN 30 11.865 -0.687 -3.463 200 HD21 ASN 30 HD21 ASN 30 8.450 -0.072 -3.554 201 HD22 ASN 30 HD22 ASN 30 8.450 0.685 -5.099 202 H GLN 31 HN GLN 31 10.800 -4.806 -2.549 203 HA GLN 31 HA GLN 31 13.403 -4.314 -1.353 204 HB2 GLN 31 HB2 GLN 31 11.514 -6.635 -0.853 205 HB3 GLN 31 HB1 GLN 31 13.059 -6.406 -0.072 206 HG2 GLN 31 HG2 GLN 31 11.509 -5.700 1.521 207 HG3 GLN 31 HG1 GLN 31 12.109 -4.206 0.814 208 HE21 GLN 31 HE21 GLN 31 9.791 -6.328 -0.735 209 HE22 GLN 31 HE22 GLN 31 8.440 -5.259 -0.566 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -12.206 -5.388 -2.664 2 H2 GLY 1 HT2 GLY 1 -12.237 -6.537 -1.458 3 H3 GLY 1 HT3 GLY 1 -13.072 -6.829 -2.922 4 HA2 GLY 1 HA1 GLY 1 -11.021 -8.069 -2.780 5 HA3 GLY 1 HA2 GLY 1 -10.925 -6.848 -4.051 6 H CYS 2 HN CYS 2 -8.855 -6.163 -4.008 7 HA CYS 2 HA CYS 2 -7.808 -5.393 -1.389 8 HB2 CYS 2 HB2 CYS 2 -5.551 -5.666 -2.425 9 HB3 CYS 2 HB1 CYS 2 -6.471 -7.165 -2.328 10 H ILE 3 HN ILE 3 -6.428 -3.492 -1.408 11 HA ILE 3 HA ILE 3 -7.617 -1.412 -2.960 12 HB ILE 3 HB ILE 3 -5.392 -1.349 -0.892 13 HG12 ILE 3 HG12 ILE 3 -8.318 -0.608 -0.674 14 HG13 ILE 3 HG11 ILE 3 -7.588 -2.072 -0.026 15 HG21 ILE 3 HG21 ILE 3 -5.773 1.069 -0.808 16 HG22 ILE 3 HG22 ILE 3 -6.933 0.931 -2.131 17 HG23 ILE 3 HG23 ILE 3 -5.229 0.547 -2.404 18 HD11 ILE 3 HD11 ILE 3 -6.935 0.742 0.808 19 HD12 ILE 3 HD12 ILE 3 -6.220 -0.734 1.460 20 HD13 ILE 3 HD13 ILE 3 -7.937 -0.403 1.702 21 H ALA 4 HN ALA 4 -6.930 -0.713 -4.799 22 HA ALA 4 HA ALA 4 -4.804 -1.899 -6.207 23 HB1 ALA 4 HB1 ALA 4 -6.310 0.644 -6.807 24 HB2 ALA 4 HB2 ALA 4 -6.779 -0.981 -7.313 25 HB3 ALA 4 HB3 ALA 4 -5.299 -0.255 -7.936 26 H THR 5 HN THR 5 -2.822 -1.031 -6.846 27 HA THR 5 HA THR 5 -1.567 0.389 -4.821 28 HB THR 5 HB THR 5 0.416 0.402 -6.182 29 HG1 THR 5 HG1 THR 5 -1.408 0.039 -8.188 30 HG21 THR 5 HG21 THR 5 -1.097 -2.195 -6.168 31 HG22 THR 5 HG22 THR 5 -0.088 -1.540 -4.878 32 HG23 THR 5 HG23 THR 5 0.643 -2.046 -6.401 33 H GLY 6 HN GLY 6 -0.882 2.426 -4.614 34 HA2 GLY 6 HA2 GLY 6 -0.568 4.661 -5.376 35 HA3 GLY 6 HA1 GLY 6 -1.764 4.363 -6.636 36 H SER 7 HN SER 7 -3.581 3.035 -4.743 37 HA SER 7 HA SER 7 -5.050 5.329 -3.977 38 HB2 SER 7 HB2 SER 7 -5.502 2.491 -3.086 39 HB3 SER 7 HB1 SER 7 -6.702 3.769 -3.269 40 HG SER 7 HG SER 7 -5.590 2.093 -5.092 41 H PHE 8 HN PHE 8 -5.864 5.637 -1.751 42 HA PHE 8 HA PHE 8 -3.747 6.082 0.055 43 HB2 PHE 8 HB2 PHE 8 -5.766 7.510 -0.147 44 HB3 PHE 8 HB1 PHE 8 -6.730 6.195 0.500 45 HD1 PHE 8 HD1 PHE 8 -4.147 8.683 1.279 46 HD2 PHE 8 HD2 PHE 8 -6.828 5.784 2.847 47 HE1 PHE 8 HE1 PHE 8 -3.757 9.549 3.537 48 HE2 PHE 8 HE2 PHE 8 -6.438 6.648 5.114 49 HZ PHE 8 HZ PHE 8 -4.908 8.528 5.462 50 H CYS 9 HN CYS 9 -2.860 4.690 1.391 51 HA CYS 9 HA CYS 9 -4.556 2.517 2.394 52 HB2 CYS 9 HB2 CYS 9 -2.619 1.076 2.446 53 HB3 CYS 9 HB1 CYS 9 -2.850 1.715 0.823 54 H THR 10 HN THR 10 -4.405 1.988 4.502 55 HA THR 10 HA THR 10 -2.519 3.456 6.188 56 HB THR 10 HB THR 10 -4.369 3.143 7.974 57 HG1 THR 10 HG1 THR 10 -6.410 3.423 6.440 58 HG21 THR 10 HG21 THR 10 -4.804 5.066 5.680 59 HG22 THR 10 HG22 THR 10 -3.743 5.338 7.061 60 HG23 THR 10 HG23 THR 10 -5.488 5.231 7.296 61 H LEU 11 HN LEU 11 -3.533 0.514 5.016 62 HA LEU 11 HA LEU 11 -2.171 -1.007 7.103 63 HB2 LEU 11 HB2 LEU 11 -4.834 -1.719 5.847 64 HB3 LEU 11 HB1 LEU 11 -3.917 -2.761 6.909 65 HG LEU 11 HG LEU 11 -5.114 -0.110 7.738 66 HD11 LEU 11 HD11 LEU 11 -6.855 -1.725 7.211 67 HD12 LEU 11 HD12 LEU 11 -6.757 -1.450 8.950 68 HD13 LEU 11 HD13 LEU 11 -6.076 -2.918 8.249 69 HD21 LEU 11 HD21 LEU 11 -3.159 -0.742 9.055 70 HD22 LEU 11 HD22 LEU 11 -3.864 -2.332 9.352 71 HD23 LEU 11 HD23 LEU 11 -4.635 -0.890 10.011 72 H SER 12 HN SER 12 -0.771 -2.391 6.204 73 HA SER 12 HA SER 12 -0.164 -2.241 3.464 74 HB2 SER 12 HB2 SER 12 1.480 -4.059 4.031 75 HB3 SER 12 HB1 SER 12 1.595 -2.601 5.020 76 HG SER 12 HG SER 12 0.677 -3.640 6.701 77 H LYS 13 HN LYS 13 -1.714 -4.768 5.360 78 HA LYS 13 HA LYS 13 -1.812 -6.509 3.156 79 HB2 LYS 13 HB2 LYS 13 -3.415 -7.878 4.599 80 HB3 LYS 13 HB1 LYS 13 -1.751 -7.702 5.109 81 HG2 LYS 13 HG2 LYS 13 -3.121 -7.548 7.033 82 HG3 LYS 13 HG1 LYS 13 -2.521 -5.933 6.692 83 HD2 LYS 13 HD2 LYS 13 -4.674 -5.344 5.705 84 HD3 LYS 13 HD1 LYS 13 -5.265 -6.984 6.008 85 HE2 LYS 13 HE2 LYS 13 -4.866 -6.659 8.417 86 HE3 LYS 13 HE1 LYS 13 -4.344 -5.010 8.087 87 HZ1 LYS 13 HZ1 LYS 13 -7.045 -6.106 7.571 88 HZ2 LYS 13 HZ2 LYS 13 -6.571 -4.531 7.252 89 HZ3 LYS 13 HZ3 LYS 13 -6.611 -5.105 8.852 90 H GLY 14 HN GLY 14 -3.608 -3.838 3.634 91 HA2 GLY 14 HA2 GLY 14 -6.031 -4.820 2.411 92 HA3 GLY 14 HA1 GLY 14 -5.621 -3.135 2.729 93 H CYS 15 HN CYS 15 -2.994 -3.535 1.427 94 HA CYS 15 HA CYS 15 -3.775 -2.660 -1.183 95 HB2 CYS 15 HB2 CYS 15 -1.090 -3.243 0.015 96 HB3 CYS 15 HB1 CYS 15 -1.355 -2.423 -1.523 97 H CYS 16 HN CYS 16 -3.462 -3.675 -3.115 98 HA CYS 16 HA CYS 16 -3.595 -6.452 -3.260 99 HB2 CYS 16 HB2 CYS 16 -2.770 -4.488 -5.391 100 HB3 CYS 16 HB1 CYS 16 -3.193 -6.173 -5.684 101 H THR 17 HN THR 17 -0.704 -4.324 -3.491 102 HA THR 17 HA THR 17 1.040 -6.471 -4.110 103 HB THR 17 HB THR 17 2.706 -4.653 -3.387 104 HG1 THR 17 HG1 THR 17 1.836 -2.634 -3.197 105 HG21 THR 17 HG21 THR 17 0.765 -4.189 -5.655 106 HG22 THR 17 HG22 THR 17 2.246 -5.158 -5.736 107 HG23 THR 17 HG23 THR 17 2.333 -3.410 -5.481 108 H LYS 18 HN LYS 18 -0.612 -5.685 -1.349 109 HA LYS 18 HA LYS 18 -0.486 -6.038 0.852 110 HB2 LYS 18 HB2 LYS 18 1.804 -7.910 0.160 111 HB3 LYS 18 HB1 LYS 18 0.957 -7.881 1.694 112 HG2 LYS 18 HG2 LYS 18 -0.266 -8.602 -0.979 113 HG3 LYS 18 HG1 LYS 18 0.233 -9.751 0.257 114 HD2 LYS 18 HD2 LYS 18 -1.895 -7.632 0.636 115 HD3 LYS 18 HD1 LYS 18 -2.217 -9.306 0.207 116 HE2 LYS 18 HE2 LYS 18 -0.789 -8.425 2.717 117 HE3 LYS 18 HE1 LYS 18 -2.499 -8.813 2.625 118 HZ1 LYS 18 HZ1 LYS 18 -0.282 -10.713 2.036 119 HZ2 LYS 18 HZ2 LYS 18 -1.923 -11.069 1.993 120 HZ3 LYS 18 HZ3 LYS 18 -1.193 -10.672 3.444 121 H ASN 19 HN ASN 19 1.360 -4.095 -0.610 122 HA ASN 19 HA ASN 19 3.110 -3.497 1.671 123 HB2 ASN 19 HB2 ASN 19 4.406 -4.298 -0.303 124 HB3 ASN 19 HB1 ASN 19 3.725 -2.988 -1.257 125 HD21 ASN 19 HD21 ASN 19 5.773 -2.118 -1.684 126 HD22 ASN 19 HD22 ASN 19 6.711 -1.325 -0.500 127 H CYS 20 HN CYS 20 2.545 -1.682 2.610 128 HA CYS 20 HA CYS 20 1.318 0.477 1.046 129 HB2 CYS 20 HB2 CYS 20 -0.331 -0.395 2.575 130 HB3 CYS 20 HB1 CYS 20 0.828 -0.414 3.901 131 H GLY 21 HN GLY 21 2.244 2.490 1.351 132 HA2 GLY 21 HA2 GLY 21 4.708 2.398 2.938 133 HA3 GLY 21 HA1 GLY 21 4.422 3.442 1.555 134 H TRP 22 HN TRP 22 5.426 4.479 3.809 135 HA TRP 22 HA TRP 22 3.488 5.641 5.482 136 HB2 TRP 22 HB2 TRP 22 5.409 7.188 6.050 137 HB3 TRP 22 HB1 TRP 22 5.689 5.479 6.344 138 HD1 TRP 22 HD1 TRP 22 6.202 7.449 3.016 139 HE1 TRP 22 HE1 TRP 22 8.660 7.168 2.302 140 HE3 TRP 22 HE3 TRP 22 7.918 4.817 7.032 141 HZ2 TRP 22 HZ2 TRP 22 11.004 5.996 3.304 142 HZ3 TRP 22 HZ3 TRP 22 10.292 4.153 7.080 143 HH2 TRP 22 HH2 TRP 22 11.795 4.737 5.253 144 H ASN 23 HN ASN 23 4.090 6.059 2.336 145 HA ASN 23 HA ASN 23 3.586 8.897 2.086 146 HB2 ASN 23 HB2 ASN 23 3.763 8.466 -0.326 147 HB3 ASN 23 HB1 ASN 23 5.135 7.769 0.523 148 HD21 ASN 23 HD21 ASN 23 4.150 7.067 -2.061 149 HD22 ASN 23 HD22 ASN 23 3.711 5.387 -1.993 150 H PHE 24 HN PHE 24 1.838 6.240 2.799 151 HA PHE 24 HA PHE 24 -0.325 5.780 3.019 152 HB2 PHE 24 HB2 PHE 24 -0.696 8.618 2.076 153 HB3 PHE 24 HB1 PHE 24 -2.036 7.583 2.551 154 HD1 PHE 24 HD1 PHE 24 0.718 9.636 3.678 155 HD2 PHE 24 HD2 PHE 24 -2.239 6.835 4.877 156 HE1 PHE 24 HE1 PHE 24 1.045 10.298 6.021 157 HE2 PHE 24 HE2 PHE 24 -1.922 7.491 7.219 158 HZ PHE 24 HZ PHE 24 -0.272 9.230 7.792 159 H LYS 25 HN LYS 25 1.158 5.330 0.531 160 HA LYS 25 HA LYS 25 -1.205 4.798 -1.093 161 HB2 LYS 25 HB2 LYS 25 1.498 5.689 -1.931 162 HB3 LYS 25 HB1 LYS 25 0.346 4.988 -3.072 163 HG2 LYS 25 HG2 LYS 25 -1.216 6.792 -2.506 164 HG3 LYS 25 HG1 LYS 25 0.014 7.502 -1.453 165 HD2 LYS 25 HD2 LYS 25 1.464 7.846 -3.315 166 HD3 LYS 25 HD1 LYS 25 0.361 6.979 -4.392 167 HE2 LYS 25 HE2 LYS 25 -0.228 9.554 -2.939 168 HE3 LYS 25 HE1 LYS 25 0.125 9.392 -4.660 169 HZ1 LYS 25 HZ1 LYS 25 -1.882 8.030 -4.880 170 HZ2 LYS 25 HZ2 LYS 25 -2.250 9.562 -4.278 171 HZ3 LYS 25 HZ3 LYS 25 -2.219 8.243 -3.243 172 H CYS 26 HN CYS 26 -1.382 2.816 -1.817 173 HA CYS 26 HA CYS 26 0.267 0.737 -0.893 174 HB2 CYS 26 HB2 CYS 26 -1.742 0.943 -3.097 175 HB3 CYS 26 HB1 CYS 26 -1.025 -0.619 -2.636 176 H ASN 27 HN ASN 27 2.202 0.207 -1.584 177 HA ASN 27 HA ASN 27 3.206 1.500 -4.012 178 HB2 ASN 27 HB2 ASN 27 4.585 0.591 -1.487 179 HB3 ASN 27 HB1 ASN 27 5.461 1.038 -2.942 180 HD21 ASN 27 HD21 ASN 27 5.439 2.203 -0.246 181 HD22 ASN 27 HD22 ASN 27 5.019 3.861 -0.449 182 HA HYP 28 HA HYP 28 4.196 -2.490 -5.819 183 HB2 HYP 28 HB1 HYP 28 5.714 -2.044 -7.547 184 HB3 HYP 28 HB2 HYP 28 6.848 -1.231 -6.461 185 HG HYP 28 HG HYP 28 5.800 0.537 -7.714 186 HD22 HYP 28 HD11 HYP 28 4.073 1.270 -5.824 187 HD23 HYP 28 HD12 HYP 28 5.781 1.074 -5.362 188 HD1 HYP 28 HD2 HYP 28 3.626 0.646 -7.921 189 HA HYP 29 HA HYP 29 6.754 -4.452 -2.842 190 HB2 HYP 29 HB1 HYP 29 5.989 -6.462 -3.479 191 HB3 HYP 29 HB2 HYP 29 7.528 -6.705 -4.314 192 HG HYP 29 HG HYP 29 6.252 -6.736 -6.248 193 HD22 HYP 29 HD11 HYP 29 5.370 -4.221 -6.660 194 HD23 HYP 29 HD12 HYP 29 7.121 -4.547 -6.611 195 HD1 HYP 29 HD2 HYP 29 4.190 -5.663 -6.201 196 H ASN 30 HN ASN 30 8.266 -2.630 -4.619 197 HA ASN 30 HA ASN 30 10.878 -3.921 -4.985 198 HB2 ASN 30 HB2 ASN 30 10.262 -0.979 -5.428 199 HB3 ASN 30 HB1 ASN 30 11.648 -1.876 -5.997 200 HD21 ASN 30 HD21 ASN 30 9.707 -0.288 -7.424 201 HD22 ASN 30 HD22 ASN 30 9.034 -1.296 -8.638 202 H GLN 31 HN GLN 31 9.304 -1.480 -3.058 203 HA GLN 31 HA GLN 31 11.400 -1.657 -1.062 204 HB2 GLN 31 HB2 GLN 31 10.222 0.874 -2.208 205 HB3 GLN 31 HB1 GLN 31 11.115 0.829 -0.699 206 HG2 GLN 31 HG2 GLN 31 13.105 0.085 -1.912 207 HG3 GLN 31 HG1 GLN 31 12.191 0.102 -3.417 208 HE21 GLN 31 HE21 GLN 31 10.740 2.522 -2.666 209 HE22 GLN 31 HE22 GLN 31 11.844 3.824 -2.874 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -12.636 -6.041 -1.218 2 H2 GLY 1 HT2 GLY 1 -11.897 -7.531 -0.944 3 H3 GLY 1 HT3 GLY 1 -13.154 -7.413 -2.068 4 HA2 GLY 1 HA1 GLY 1 -11.028 -7.552 -3.149 5 HA3 GLY 1 HA2 GLY 1 -11.796 -5.992 -3.449 6 H CYS 2 HN CYS 2 -9.003 -6.493 -3.653 7 HA CYS 2 HA CYS 2 -7.845 -5.440 -1.227 8 HB2 CYS 2 HB2 CYS 2 -5.681 -5.725 -2.411 9 HB3 CYS 2 HB1 CYS 2 -6.611 -7.214 -2.344 10 H ILE 3 HN ILE 3 -6.383 -3.606 -1.349 11 HA ILE 3 HA ILE 3 -7.615 -1.437 -2.788 12 HB ILE 3 HB ILE 3 -5.310 -1.452 -0.807 13 HG12 ILE 3 HG12 ILE 3 -8.226 -0.767 -0.400 14 HG13 ILE 3 HG11 ILE 3 -7.454 -2.253 0.133 15 HG21 ILE 3 HG21 ILE 3 -6.959 0.836 -1.886 16 HG22 ILE 3 HG22 ILE 3 -5.265 0.500 -2.255 17 HG23 ILE 3 HG23 ILE 3 -5.737 0.958 -0.617 18 HD11 ILE 3 HD11 ILE 3 -6.794 0.523 1.081 19 HD12 ILE 3 HD12 ILE 3 -6.019 -0.965 1.626 20 HD13 ILE 3 HD13 ILE 3 -7.727 -0.684 1.965 21 H ALA 4 HN ALA 4 -6.922 -0.806 -4.679 22 HA ALA 4 HA ALA 4 -4.824 -2.032 -6.074 23 HB1 ALA 4 HB1 ALA 4 -6.263 0.545 -6.683 24 HB2 ALA 4 HB2 ALA 4 -6.802 -1.063 -7.154 25 HB3 ALA 4 HB3 ALA 4 -5.306 -0.405 -7.820 26 H THR 5 HN THR 5 -2.863 -1.102 -6.833 27 HA THR 5 HA THR 5 -1.667 0.422 -4.811 28 HB THR 5 HB THR 5 0.336 0.329 -6.216 29 HG1 THR 5 HG1 THR 5 -0.108 -0.135 -8.245 30 HG21 THR 5 HG21 THR 5 -0.060 -1.277 -4.493 31 HG22 THR 5 HG22 THR 5 0.645 -2.096 -5.887 32 HG23 THR 5 HG23 THR 5 -1.086 -2.232 -5.560 33 H GLY 6 HN GLY 6 -0.971 2.454 -4.805 34 HA2 GLY 6 HA2 GLY 6 -0.695 4.605 -5.834 35 HA3 GLY 6 HA1 GLY 6 -1.962 4.161 -6.976 36 H SER 7 HN SER 7 -3.560 2.924 -4.787 37 HA SER 7 HA SER 7 -5.066 5.234 -4.112 38 HB2 SER 7 HB2 SER 7 -5.354 2.405 -3.111 39 HB3 SER 7 HB1 SER 7 -6.593 3.660 -3.114 40 HG SER 7 HG SER 7 -6.588 2.018 -4.830 41 H PHE 8 HN PHE 8 -5.726 5.705 -1.917 42 HA PHE 8 HA PHE 8 -3.614 6.090 -0.089 43 HB2 PHE 8 HB2 PHE 8 -5.493 7.642 -0.240 44 HB3 PHE 8 HB1 PHE 8 -6.621 6.368 0.189 45 HD1 PHE 8 HD1 PHE 8 -6.939 5.719 2.486 46 HD2 PHE 8 HD2 PHE 8 -4.030 8.648 1.455 47 HE1 PHE 8 HE1 PHE 8 -6.746 6.355 4.848 48 HE2 PHE 8 HE2 PHE 8 -3.830 9.283 3.815 49 HZ PHE 8 HZ PHE 8 -5.191 8.133 5.520 50 H CYS 9 HN CYS 9 -2.841 4.700 1.394 51 HA CYS 9 HA CYS 9 -4.666 2.654 2.415 52 HB2 CYS 9 HB2 CYS 9 -2.864 1.024 2.427 53 HB3 CYS 9 HB1 CYS 9 -3.200 1.591 0.794 54 H THR 10 HN THR 10 -4.496 2.196 4.514 55 HA THR 10 HA THR 10 -2.450 3.568 6.039 56 HB THR 10 HB THR 10 -4.138 3.016 7.930 57 HG1 THR 10 HG1 THR 10 -5.914 2.093 7.264 58 HG21 THR 10 HG21 THR 10 -4.786 5.062 5.795 59 HG22 THR 10 HG22 THR 10 -3.689 5.296 7.158 60 HG23 THR 10 HG23 THR 10 -5.417 5.081 7.440 61 H LEU 11 HN LEU 11 -3.826 0.504 5.115 62 HA LEU 11 HA LEU 11 -2.000 -0.889 6.947 63 HB2 LEU 11 HB2 LEU 11 -4.687 -1.837 5.953 64 HB3 LEU 11 HB1 LEU 11 -3.609 -2.723 7.007 65 HG LEU 11 HG LEU 11 -5.077 -0.178 7.700 66 HD11 LEU 11 HD11 LEU 11 -6.546 -2.093 7.565 67 HD12 LEU 11 HD12 LEU 11 -6.305 -1.631 9.252 68 HD13 LEU 11 HD13 LEU 11 -5.455 -3.023 8.589 69 HD21 LEU 11 HD21 LEU 11 -2.930 -0.275 8.846 70 HD22 LEU 11 HD22 LEU 11 -3.274 -1.920 9.382 71 HD23 LEU 11 HD23 LEU 11 -4.246 -0.575 9.981 72 H SER 12 HN SER 12 -0.571 -2.215 5.950 73 HA SER 12 HA SER 12 -0.258 -2.266 3.166 74 HB2 SER 12 HB2 SER 12 1.429 -4.017 3.706 75 HB3 SER 12 HB1 SER 12 1.611 -2.530 4.641 76 HG SER 12 HG SER 12 1.236 -5.013 5.473 77 H LYS 13 HN LYS 13 -1.800 -4.352 5.375 78 HA LYS 13 HA LYS 13 -2.106 -6.762 4.027 79 HB2 LYS 13 HB2 LYS 13 -4.038 -5.388 5.894 80 HB3 LYS 13 HB1 LYS 13 -4.226 -7.034 5.336 81 HG2 LYS 13 HG2 LYS 13 -3.372 -7.108 7.518 82 HG3 LYS 13 HG1 LYS 13 -2.060 -7.559 6.418 83 HD2 LYS 13 HD2 LYS 13 -1.051 -5.371 6.693 84 HD3 LYS 13 HD1 LYS 13 -2.412 -4.831 7.688 85 HE2 LYS 13 HE2 LYS 13 -1.829 -6.520 9.365 86 HE3 LYS 13 HE1 LYS 13 -0.496 -7.070 8.359 87 HZ1 LYS 13 HZ1 LYS 13 0.545 -4.889 8.622 88 HZ2 LYS 13 HZ2 LYS 13 0.247 -5.576 10.128 89 HZ3 LYS 13 HZ3 LYS 13 -0.760 -4.362 9.547 90 H GLY 14 HN GLY 14 -3.911 -3.850 3.861 91 HA2 GLY 14 HA2 GLY 14 -6.081 -4.827 2.316 92 HA3 GLY 14 HA1 GLY 14 -5.685 -3.131 2.555 93 H CYS 15 HN CYS 15 -3.051 -3.339 1.415 94 HA CYS 15 HA CYS 15 -3.692 -2.682 -1.249 95 HB2 CYS 15 HB2 CYS 15 -1.024 -3.369 -0.051 96 HB3 CYS 15 HB1 CYS 15 -1.274 -2.552 -1.589 97 H CYS 16 HN CYS 16 -3.508 -3.763 -3.150 98 HA CYS 16 HA CYS 16 -3.660 -6.551 -3.220 99 HB2 CYS 16 HB2 CYS 16 -2.858 -4.704 -5.479 100 HB3 CYS 16 HB1 CYS 16 -3.445 -6.354 -5.657 101 H THR 17 HN THR 17 -0.790 -4.415 -3.557 102 HA THR 17 HA THR 17 0.955 -6.620 -4.085 103 HB THR 17 HB THR 17 2.673 -4.845 -3.541 104 HG1 THR 17 HG1 THR 17 1.883 -2.740 -3.352 105 HG21 THR 17 HG21 THR 17 2.240 -3.630 -5.633 106 HG22 THR 17 HG22 THR 17 0.602 -4.286 -5.657 107 HG23 THR 17 HG23 THR 17 1.988 -5.367 -5.819 108 H LYS 18 HN LYS 18 -0.650 -5.545 -1.363 109 HA LYS 18 HA LYS 18 -0.413 -5.466 0.819 110 HB2 LYS 18 HB2 LYS 18 1.389 -7.808 0.256 111 HB3 LYS 18 HB1 LYS 18 0.808 -7.377 1.863 112 HG2 LYS 18 HG2 LYS 18 -1.493 -7.684 1.119 113 HG3 LYS 18 HG1 LYS 18 -0.916 -8.106 -0.495 114 HD2 LYS 18 HD2 LYS 18 0.267 -9.990 0.406 115 HD3 LYS 18 HD1 LYS 18 -0.264 -9.549 2.040 116 HE2 LYS 18 HE2 LYS 18 -2.049 -10.353 -0.265 117 HE3 LYS 18 HE1 LYS 18 -1.623 -11.376 1.100 118 HZ1 LYS 18 HZ1 LYS 18 -2.734 -9.812 2.567 119 HZ2 LYS 18 HZ2 LYS 18 -3.792 -10.406 1.425 120 HZ3 LYS 18 HZ3 LYS 18 -3.200 -8.843 1.270 121 H ASN 19 HN ASN 19 1.466 -3.930 -0.830 122 HA ASN 19 HA ASN 19 3.483 -3.408 1.232 123 HB2 ASN 19 HB2 ASN 19 4.439 -4.251 -0.919 124 HB3 ASN 19 HB1 ASN 19 3.677 -2.907 -1.755 125 HD21 ASN 19 HD21 ASN 19 5.635 -2.103 -2.486 126 HD22 ASN 19 HD22 ASN 19 6.792 -1.365 -1.460 127 H CYS 20 HN CYS 20 2.802 -1.693 2.308 128 HA CYS 20 HA CYS 20 1.639 0.585 0.850 129 HB2 CYS 20 HB2 CYS 20 -0.156 -0.517 2.064 130 HB3 CYS 20 HB1 CYS 20 0.832 -0.587 3.521 131 H GLY 21 HN GLY 21 2.608 2.507 1.362 132 HA2 GLY 21 HA2 GLY 21 4.749 2.263 3.363 133 HA3 GLY 21 HA1 GLY 21 4.752 3.377 2.005 134 H TRP 22 HN TRP 22 5.389 4.561 4.253 135 HA TRP 22 HA TRP 22 3.122 5.560 5.631 136 HB2 TRP 22 HB2 TRP 22 4.816 7.121 6.628 137 HB3 TRP 22 HB1 TRP 22 5.112 5.414 6.922 138 HD1 TRP 22 HD1 TRP 22 6.224 7.290 3.707 139 HE1 TRP 22 HE1 TRP 22 8.795 7.264 3.617 140 HE3 TRP 22 HE3 TRP 22 7.181 5.206 8.268 141 HZ2 TRP 22 HZ2 TRP 22 10.943 6.483 5.261 142 HZ3 TRP 22 HZ3 TRP 22 9.520 4.864 8.941 143 HH2 TRP 22 HH2 TRP 22 11.363 5.493 7.459 144 H ASN 23 HN ASN 23 4.036 5.992 2.648 145 HA ASN 23 HA ASN 23 3.563 8.828 2.333 146 HB2 ASN 23 HB2 ASN 23 3.741 8.359 -0.085 147 HB3 ASN 23 HB1 ASN 23 5.093 7.628 0.765 148 HD21 ASN 23 HD21 ASN 23 4.058 6.930 -1.841 149 HD22 ASN 23 HD22 ASN 23 3.554 5.282 -1.766 150 H PHE 24 HN PHE 24 1.834 6.122 3.004 151 HA PHE 24 HA PHE 24 -0.298 5.540 3.146 152 HB2 PHE 24 HB2 PHE 24 -0.706 8.486 2.646 153 HB3 PHE 24 HB1 PHE 24 -2.052 7.387 2.935 154 HD1 PHE 24 HD1 PHE 24 -2.441 6.451 5.109 155 HD2 PHE 24 HD2 PHE 24 0.873 9.024 4.428 156 HE1 PHE 24 HE1 PHE 24 -2.135 6.698 7.542 157 HE2 PHE 24 HE2 PHE 24 1.181 9.270 6.856 158 HZ PHE 24 HZ PHE 24 -0.328 8.104 8.412 159 H LYS 25 HN LYS 25 1.065 5.155 0.761 160 HA LYS 25 HA LYS 25 -1.214 4.952 -1.055 161 HB2 LYS 25 HB2 LYS 25 1.610 5.708 -1.726 162 HB3 LYS 25 HB1 LYS 25 0.389 5.289 -2.918 163 HG2 LYS 25 HG2 LYS 25 -0.904 7.257 -2.281 164 HG3 LYS 25 HG1 LYS 25 0.242 7.621 -0.992 165 HD2 LYS 25 HD2 LYS 25 0.720 9.072 -2.836 166 HD3 LYS 25 HD1 LYS 25 2.010 7.879 -2.738 167 HE2 LYS 25 HE2 LYS 25 1.437 8.158 -5.037 168 HE3 LYS 25 HE1 LYS 25 0.845 6.584 -4.527 169 HZ1 LYS 25 HZ1 LYS 25 -0.763 7.815 -5.892 170 HZ2 LYS 25 HZ2 LYS 25 -0.821 9.031 -4.746 171 HZ3 LYS 25 HZ3 LYS 25 -1.402 7.500 -4.366 172 H CYS 26 HN CYS 26 -1.393 2.945 -1.915 173 HA CYS 26 HA CYS 26 0.312 0.877 -0.999 174 HB2 CYS 26 HB2 CYS 26 -1.828 0.983 -3.103 175 HB3 CYS 26 HB1 CYS 26 -0.985 -0.529 -2.708 176 H ASN 27 HN ASN 27 2.101 0.136 -1.867 177 HA ASN 27 HA ASN 27 3.078 1.536 -4.259 178 HB2 ASN 27 HB2 ASN 27 4.572 0.486 -1.840 179 HB3 ASN 27 HB1 ASN 27 5.330 1.183 -3.265 180 HD21 ASN 27 HD21 ASN 27 5.232 1.993 -0.371 181 HD22 ASN 27 HD22 ASN 27 4.706 3.632 -0.390 182 HA HYP 28 HA HYP 28 3.769 -2.502 -6.122 183 HB2 HYP 28 HB1 HYP 28 5.026 -2.034 -8.079 184 HB3 HYP 28 HB2 HYP 28 6.039 -0.850 -7.232 185 HG HYP 28 HG HYP 28 4.406 0.462 -8.409 186 HD22 HYP 28 HD11 HYP 28 2.717 0.725 -6.247 187 HD23 HYP 28 HD12 HYP 28 4.377 1.355 -6.207 188 HD1 HYP 28 HD2 HYP 28 2.366 -0.030 -8.487 189 HA HYP 29 HA HYP 29 6.542 -4.523 -3.485 190 HB2 HYP 29 HB1 HYP 29 6.418 -6.624 -4.331 191 HB3 HYP 29 HB2 HYP 29 7.744 -6.250 -5.436 192 HG HYP 29 HG HYP 29 6.043 -6.534 -7.021 193 HD22 HYP 29 HD11 HYP 29 4.847 -4.154 -7.115 194 HD23 HYP 29 HD12 HYP 29 6.621 -4.196 -7.263 195 HD1 HYP 29 HD2 HYP 29 3.931 -5.687 -6.430 196 H ASN 30 HN ASN 30 8.338 -3.709 -2.660 197 HA ASN 30 HA ASN 30 10.672 -3.319 -4.405 198 HB2 ASN 30 HB2 ASN 30 11.174 -1.152 -3.506 199 HB3 ASN 30 HB1 ASN 30 9.508 -1.120 -4.070 200 HD21 ASN 30 HD21 ASN 30 11.615 -0.954 -1.351 201 HD22 ASN 30 HD22 ASN 30 10.453 -0.489 -0.175 202 H GLN 31 HN GLN 31 9.467 -4.846 -1.826 203 HA GLN 31 HA GLN 31 11.954 -4.684 -0.311 204 HB2 GLN 31 HB2 GLN 31 9.176 -5.407 0.632 205 HB3 GLN 31 HB1 GLN 31 10.620 -5.484 1.626 206 HG2 GLN 31 HG2 GLN 31 10.916 -3.061 1.335 207 HG3 GLN 31 HG1 GLN 31 9.428 -3.012 0.394 208 HE21 GLN 31 HE21 GLN 31 7.464 -3.254 1.443 209 HE22 GLN 31 HE22 GLN 31 7.308 -3.132 3.142 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -12.099 -7.240 -1.450 2 H2 GLY 1 HT2 GLY 1 -13.129 -7.112 -2.803 3 H3 GLY 1 HT3 GLY 1 -12.482 -5.727 -2.061 4 HA2 GLY 1 HA1 GLY 1 -10.852 -7.768 -3.382 5 HA3 GLY 1 HA2 GLY 1 -11.320 -6.219 -4.088 6 H CYS 2 HN CYS 2 -8.795 -6.299 -4.047 7 HA CYS 2 HA CYS 2 -7.824 -5.359 -1.464 8 HB2 CYS 2 HB2 CYS 2 -5.572 -5.648 -2.484 9 HB3 CYS 2 HB1 CYS 2 -6.506 -7.140 -2.442 10 H ILE 3 HN ILE 3 -6.322 -3.467 -1.538 11 HA ILE 3 HA ILE 3 -7.548 -1.375 -3.086 12 HB ILE 3 HB ILE 3 -5.230 -1.246 -1.128 13 HG12 ILE 3 HG12 ILE 3 -8.141 -0.604 -0.703 14 HG13 ILE 3 HG11 ILE 3 -7.364 -2.083 -0.148 15 HG21 ILE 3 HG21 ILE 3 -6.994 0.932 -2.260 16 HG22 ILE 3 HG22 ILE 3 -5.299 0.652 -2.661 17 HG23 ILE 3 HG23 ILE 3 -5.747 1.154 -1.030 18 HD11 ILE 3 HD11 ILE 3 -6.682 0.712 0.735 19 HD12 ILE 3 HD12 ILE 3 -5.878 -0.762 1.268 20 HD13 ILE 3 HD13 ILE 3 -7.573 -0.491 1.672 21 H ALA 4 HN ALA 4 -6.888 -0.878 -5.014 22 HA ALA 4 HA ALA 4 -4.615 -1.956 -6.285 23 HB1 ALA 4 HB1 ALA 4 -6.245 0.466 -7.056 24 HB2 ALA 4 HB2 ALA 4 -6.578 -1.198 -7.537 25 HB3 ALA 4 HB3 ALA 4 -5.117 -0.390 -8.105 26 H THR 5 HN THR 5 -2.661 -0.953 -6.881 27 HA THR 5 HA THR 5 -1.672 0.541 -4.726 28 HB THR 5 HB THR 5 0.488 0.424 -5.850 29 HG1 THR 5 HG1 THR 5 -0.611 -1.164 -7.918 30 HG21 THR 5 HG21 THR 5 -0.264 -1.446 -4.524 31 HG22 THR 5 HG22 THR 5 0.670 -2.012 -5.911 32 HG23 THR 5 HG23 THR 5 -1.090 -2.131 -5.923 33 H GLY 6 HN GLY 6 -0.892 2.606 -4.635 34 HA2 GLY 6 HA2 GLY 6 -0.578 4.781 -5.542 35 HA3 GLY 6 HA1 GLY 6 -1.714 4.372 -6.824 36 H SER 7 HN SER 7 -3.438 3.100 -4.682 37 HA SER 7 HA SER 7 -4.924 5.495 -4.072 38 HB2 SER 7 HB2 SER 7 -5.570 2.630 -3.374 39 HB3 SER 7 HB1 SER 7 -6.694 3.988 -3.485 40 HG SER 7 HG SER 7 -5.683 2.375 -5.416 41 H PHE 8 HN PHE 8 -5.827 5.729 -1.846 42 HA PHE 8 HA PHE 8 -3.766 5.980 0.047 43 HB2 PHE 8 HB2 PHE 8 -5.699 7.499 -0.050 44 HB3 PHE 8 HB1 PHE 8 -6.767 6.177 0.397 45 HD1 PHE 8 HD1 PHE 8 -4.108 8.419 1.595 46 HD2 PHE 8 HD2 PHE 8 -7.006 5.506 2.681 47 HE1 PHE 8 HE1 PHE 8 -3.782 8.986 3.953 48 HE2 PHE 8 HE2 PHE 8 -6.684 6.073 5.056 49 HZ PHE 8 HZ PHE 8 -5.053 7.825 5.688 50 H CYS 9 HN CYS 9 -3.061 4.661 1.567 51 HA CYS 9 HA CYS 9 -4.728 2.348 2.285 52 HB2 CYS 9 HB2 CYS 9 -2.705 1.024 2.515 53 HB3 CYS 9 HB1 CYS 9 -2.845 1.660 0.881 54 H THR 10 HN THR 10 -4.489 1.614 4.409 55 HA THR 10 HA THR 10 -3.110 3.423 6.245 56 HB THR 10 HB THR 10 -4.750 2.377 7.940 57 HG1 THR 10 HG1 THR 10 -6.236 1.123 7.179 58 HG21 THR 10 HG21 THR 10 -5.758 4.235 5.782 59 HG22 THR 10 HG22 THR 10 -4.869 4.714 7.229 60 HG23 THR 10 HG23 THR 10 -6.489 4.028 7.371 61 H LEU 11 HN LEU 11 -3.748 0.139 5.285 62 HA LEU 11 HA LEU 11 -1.573 -0.842 6.991 63 HB2 LEU 11 HB2 LEU 11 -4.234 -2.168 6.522 64 HB3 LEU 11 HB1 LEU 11 -2.894 -2.860 7.408 65 HG LEU 11 HG LEU 11 -4.364 -0.366 8.244 66 HD11 LEU 11 HD11 LEU 11 -5.830 -2.293 8.286 67 HD12 LEU 11 HD12 LEU 11 -5.409 -1.794 9.926 68 HD13 LEU 11 HD13 LEU 11 -4.626 -3.199 9.197 69 HD21 LEU 11 HD21 LEU 11 -2.373 -2.121 9.688 70 HD22 LEU 11 HD22 LEU 11 -3.231 -0.749 10.388 71 HD23 LEU 11 HD23 LEU 11 -2.076 -0.491 9.086 72 H SER 12 HN SER 12 -0.367 -2.494 6.053 73 HA SER 12 HA SER 12 -0.059 -2.519 3.297 74 HB2 SER 12 HB2 SER 12 1.390 -4.530 3.882 75 HB3 SER 12 HB1 SER 12 1.777 -2.998 4.673 76 HG SER 12 HG SER 12 1.069 -5.339 5.752 77 H LYS 13 HN LYS 13 -1.873 -4.524 5.387 78 HA LYS 13 HA LYS 13 -2.286 -6.852 3.884 79 HB2 LYS 13 HB2 LYS 13 -4.089 -5.542 5.908 80 HB3 LYS 13 HB1 LYS 13 -4.387 -7.122 5.216 81 HG2 LYS 13 HG2 LYS 13 -3.452 -7.491 7.301 82 HG3 LYS 13 HG1 LYS 13 -2.172 -7.797 6.116 83 HD2 LYS 13 HD2 LYS 13 -1.187 -5.626 6.612 84 HD3 LYS 13 HD1 LYS 13 -2.479 -5.281 7.772 85 HE2 LYS 13 HE2 LYS 13 -0.465 -7.521 7.926 86 HE3 LYS 13 HE1 LYS 13 -0.392 -6.023 8.843 87 HZ1 LYS 13 HZ1 LYS 13 -2.549 -8.073 9.072 88 HZ2 LYS 13 HZ2 LYS 13 -2.425 -6.657 9.995 89 HZ3 LYS 13 HZ3 LYS 13 -1.269 -7.855 10.138 90 H GLY 14 HN GLY 14 -3.895 -3.855 3.917 91 HA2 GLY 14 HA2 GLY 14 -6.164 -4.629 2.345 92 HA3 GLY 14 HA1 GLY 14 -5.674 -2.973 2.664 93 H CYS 15 HN CYS 15 -3.001 -3.520 1.510 94 HA CYS 15 HA CYS 15 -3.655 -2.647 -1.138 95 HB2 CYS 15 HB2 CYS 15 -1.038 -3.330 0.139 96 HB3 CYS 15 HB1 CYS 15 -1.225 -2.488 -1.399 97 H CYS 16 HN CYS 16 -3.387 -3.708 -3.063 98 HA CYS 16 HA CYS 16 -3.554 -6.499 -3.167 99 HB2 CYS 16 HB2 CYS 16 -2.623 -4.634 -5.359 100 HB3 CYS 16 HB1 CYS 16 -3.167 -6.291 -5.581 101 H THR 17 HN THR 17 -0.701 -4.359 -3.348 102 HA THR 17 HA THR 17 1.066 -6.523 -3.947 103 HB THR 17 HB THR 17 2.731 -4.651 -3.486 104 HG1 THR 17 HG1 THR 17 1.945 -2.702 -3.087 105 HG21 THR 17 HG21 THR 17 0.620 -4.308 -5.624 106 HG22 THR 17 HG22 THR 17 2.081 -5.298 -5.766 107 HG23 THR 17 HG23 THR 17 2.202 -3.538 -5.626 108 H LYS 18 HN LYS 18 -0.555 -5.767 -1.191 109 HA LYS 18 HA LYS 18 -0.289 -5.965 1.019 110 HB2 LYS 18 HB2 LYS 18 1.922 -7.811 0.127 111 HB3 LYS 18 HB1 LYS 18 1.446 -7.633 1.809 112 HG2 LYS 18 HG2 LYS 18 -0.402 -8.488 -0.400 113 HG3 LYS 18 HG1 LYS 18 0.447 -9.596 0.682 114 HD2 LYS 18 HD2 LYS 18 -0.668 -8.542 2.604 115 HD3 LYS 18 HD1 LYS 18 -1.534 -7.468 1.511 116 HE2 LYS 18 HE2 LYS 18 -2.883 -9.389 2.256 117 HE3 LYS 18 HE1 LYS 18 -2.684 -9.322 0.508 118 HZ1 LYS 18 HZ1 LYS 18 -1.046 -11.043 0.630 119 HZ2 LYS 18 HZ2 LYS 18 -2.412 -11.563 1.464 120 HZ3 LYS 18 HZ3 LYS 18 -1.061 -11.049 2.311 121 H ASN 19 HN ASN 19 1.344 -3.911 -0.480 122 HA ASN 19 HA ASN 19 3.009 -3.237 1.814 123 HB2 ASN 19 HB2 ASN 19 4.569 -4.048 0.170 124 HB3 ASN 19 HB1 ASN 19 3.853 -3.038 -1.082 125 HD21 ASN 19 HD21 ASN 19 4.607 -1.057 -1.331 126 HD22 ASN 19 HD22 ASN 19 5.778 -0.278 -0.323 127 H CYS 20 HN CYS 20 2.153 -1.668 2.742 128 HA CYS 20 HA CYS 20 0.972 0.543 1.226 129 HB2 CYS 20 HB2 CYS 20 -0.478 -0.390 2.965 130 HB3 CYS 20 HB1 CYS 20 0.811 -0.264 4.151 131 H GLY 21 HN GLY 21 2.229 2.315 1.016 132 HA2 GLY 21 HA2 GLY 21 4.785 2.247 2.314 133 HA3 GLY 21 HA1 GLY 21 4.246 3.383 1.082 134 H TRP 22 HN TRP 22 5.659 4.446 3.080 135 HA TRP 22 HA TRP 22 3.936 5.330 5.168 136 HB2 TRP 22 HB2 TRP 22 5.810 6.726 5.793 137 HB3 TRP 22 HB1 TRP 22 6.322 5.080 5.767 138 HD1 TRP 22 HD1 TRP 22 7.793 4.537 3.261 139 HE1 TRP 22 HE1 TRP 22 9.560 6.122 2.223 140 HE3 TRP 22 HE3 TRP 22 6.455 8.694 5.590 141 HZ2 TRP 22 HZ2 TRP 22 10.273 8.846 2.398 142 HZ3 TRP 22 HZ3 TRP 22 7.703 10.863 5.162 143 HH2 TRP 22 HH2 TRP 22 9.581 10.893 3.586 144 H ASN 23 HN ASN 23 4.158 5.991 2.060 145 HA ASN 23 HA ASN 23 3.666 8.848 2.127 146 HB2 ASN 23 HB2 ASN 23 3.581 8.672 -0.311 147 HB3 ASN 23 HB1 ASN 23 5.024 7.871 0.293 148 HD21 ASN 23 HD21 ASN 23 3.693 7.479 -2.251 149 HD22 ASN 23 HD22 ASN 23 3.234 5.821 -2.298 150 H PHE 24 HN PHE 24 1.958 6.252 2.928 151 HA PHE 24 HA PHE 24 -0.211 5.813 3.326 152 HB2 PHE 24 HB2 PHE 24 -0.714 8.660 2.376 153 HB3 PHE 24 HB1 PHE 24 -1.915 7.625 3.121 154 HD1 PHE 24 HD1 PHE 24 1.129 9.589 3.691 155 HD2 PHE 24 HD2 PHE 24 -1.898 7.194 5.479 156 HE1 PHE 24 HE1 PHE 24 1.827 10.378 5.913 157 HE2 PHE 24 HE2 PHE 24 -1.201 7.982 7.706 158 HZ PHE 24 HZ PHE 24 0.661 9.571 7.921 159 H LYS 25 HN LYS 25 1.056 5.398 0.682 160 HA LYS 25 HA LYS 25 -1.420 4.873 -0.789 161 HB2 LYS 25 HB2 LYS 25 1.227 5.807 -1.784 162 HB3 LYS 25 HB1 LYS 25 0.062 5.039 -2.859 163 HG2 LYS 25 HG2 LYS 25 -1.510 6.839 -2.429 164 HG3 LYS 25 HG1 LYS 25 -0.372 7.570 -1.289 165 HD2 LYS 25 HD2 LYS 25 1.217 7.958 -3.043 166 HD3 LYS 25 HD1 LYS 25 0.218 7.079 -4.201 167 HE2 LYS 25 HE2 LYS 25 -0.647 9.569 -2.759 168 HE3 LYS 25 HE1 LYS 25 0.073 9.568 -4.371 169 HZ1 LYS 25 HZ1 LYS 25 -1.759 8.185 -5.131 170 HZ2 LYS 25 HZ2 LYS 25 -2.330 9.644 -4.505 171 HZ3 LYS 25 HZ3 LYS 25 -2.483 8.222 -3.611 172 H CYS 26 HN CYS 26 -1.553 2.908 -1.677 173 HA CYS 26 HA CYS 26 0.160 0.844 -0.792 174 HB2 CYS 26 HB2 CYS 26 -1.947 0.964 -2.927 175 HB3 CYS 26 HB1 CYS 26 -1.107 -0.544 -2.517 176 H ASN 27 HN ASN 27 1.982 0.070 -1.649 177 HA ASN 27 HA ASN 27 2.875 1.213 -4.201 178 HB2 ASN 27 HB2 ASN 27 4.468 0.834 -1.658 179 HB3 ASN 27 HB1 ASN 27 5.168 1.296 -3.202 180 HD21 ASN 27 HD21 ASN 27 5.246 2.655 -0.668 181 HD22 ASN 27 HD22 ASN 27 4.506 4.197 -0.881 182 HA HYP 28 HA HYP 28 4.066 -3.119 -4.766 183 HB2 HYP 28 HB1 HYP 28 4.557 -3.144 -7.026 184 HB3 HYP 28 HB2 HYP 28 6.028 -2.198 -6.759 185 HG HYP 28 HG HYP 28 4.653 -0.660 -7.940 186 HD22 HYP 28 HD11 HYP 28 3.565 0.647 -5.928 187 HD23 HYP 28 HD12 HYP 28 5.326 0.383 -5.865 188 HD1 HYP 28 HD2 HYP 28 2.519 -0.415 -7.363 189 HA HYP 29 HA HYP 29 7.791 -3.434 -2.554 190 HB2 HYP 29 HB1 HYP 29 8.096 -5.688 -2.319 191 HB3 HYP 29 HB2 HYP 29 8.800 -5.808 -3.938 192 HG HYP 29 HG HYP 29 6.739 -6.957 -4.228 193 HD22 HYP 29 HD11 HYP 29 5.196 -4.992 -5.107 194 HD23 HYP 29 HD12 HYP 29 6.817 -5.115 -5.835 195 HD1 HYP 29 HD2 HYP 29 4.849 -5.898 -3.379 196 H ASN 30 HN ASN 30 8.647 -1.583 -3.480 197 HA ASN 30 HA ASN 30 11.110 -2.044 -4.986 198 HB2 ASN 30 HB2 ASN 30 9.263 -1.140 -6.504 199 HB3 ASN 30 HB1 ASN 30 9.235 0.287 -5.486 200 HD21 ASN 30 HD21 ASN 30 9.781 0.089 -8.316 201 HD22 ASN 30 HD22 ASN 30 11.365 0.714 -8.568 202 H GLN 31 HN GLN 31 11.869 -1.989 -2.773 203 HA GLN 31 HA GLN 31 12.310 0.751 -1.905 204 HB2 GLN 31 HB2 GLN 31 11.779 -1.633 -0.113 205 HB3 GLN 31 HB1 GLN 31 12.488 -0.141 0.460 206 HG2 GLN 31 HG2 GLN 31 10.249 0.015 1.065 207 HG3 GLN 31 HG1 GLN 31 10.368 1.004 -0.380 208 HE21 GLN 31 HE21 GLN 31 10.183 -2.507 -0.334 209 HE22 GLN 31 HE22 GLN 31 8.597 -2.606 -1.002 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -12.482 -6.644 -2.102 2 H2 GLY 1 HT2 GLY 1 -11.859 -8.188 -1.916 3 H3 GLY 1 HT3 GLY 1 -13.010 -7.876 -3.129 4 HA2 GLY 1 HA1 GLY 1 -10.760 -8.036 -4.037 5 HA3 GLY 1 HA2 GLY 1 -11.447 -6.422 -4.238 6 H CYS 2 HN CYS 2 -8.854 -6.389 -4.387 7 HA CYS 2 HA CYS 2 -7.929 -5.692 -1.705 8 HB2 CYS 2 HB2 CYS 2 -5.628 -5.998 -2.647 9 HB3 CYS 2 HB1 CYS 2 -6.581 -7.475 -2.610 10 H ILE 3 HN ILE 3 -6.715 -3.759 -1.498 11 HA ILE 3 HA ILE 3 -7.708 -1.656 -3.146 12 HB ILE 3 HB ILE 3 -5.610 -1.596 -0.951 13 HG12 ILE 3 HG12 ILE 3 -8.554 -0.911 -0.853 14 HG13 ILE 3 HG11 ILE 3 -7.842 -2.394 -0.231 15 HG21 ILE 3 HG21 ILE 3 -7.139 0.670 -2.238 16 HG22 ILE 3 HG22 ILE 3 -5.415 0.345 -2.417 17 HG23 ILE 3 HG23 ILE 3 -6.065 0.818 -0.846 18 HD11 ILE 3 HD11 ILE 3 -6.549 -1.126 1.350 19 HD12 ILE 3 HD12 ILE 3 -8.275 -0.788 1.545 20 HD13 ILE 3 HD13 ILE 3 -7.219 0.380 0.735 21 H ALA 4 HN ALA 4 -6.788 -0.743 -4.812 22 HA ALA 4 HA ALA 4 -4.509 -1.857 -6.053 23 HB1 ALA 4 HB1 ALA 4 -5.991 0.685 -6.681 24 HB2 ALA 4 HB2 ALA 4 -6.361 -0.910 -7.340 25 HB3 ALA 4 HB3 ALA 4 -4.829 -0.122 -7.725 26 H THR 5 HN THR 5 -2.517 -0.914 -6.430 27 HA THR 5 HA THR 5 -1.567 0.681 -4.313 28 HB THR 5 HB THR 5 0.594 0.482 -5.470 29 HG1 THR 5 HG1 THR 5 0.267 0.342 -7.613 30 HG21 THR 5 HG21 THR 5 -0.987 -2.067 -5.361 31 HG22 THR 5 HG22 THR 5 -0.161 -1.288 -4.010 32 HG23 THR 5 HG23 THR 5 0.771 -1.941 -5.358 33 H GLY 6 HN GLY 6 -0.774 2.771 -4.456 34 HA2 GLY 6 HA2 GLY 6 -0.601 4.879 -5.554 35 HA3 GLY 6 HA1 GLY 6 -1.805 4.329 -6.723 36 H SER 7 HN SER 7 -3.437 3.109 -4.559 37 HA SER 7 HA SER 7 -4.879 5.494 -3.853 38 HB2 SER 7 HB2 SER 7 -5.476 2.566 -3.360 39 HB3 SER 7 HB1 SER 7 -6.597 3.904 -3.094 40 HG SER 7 HG SER 7 -5.889 4.313 -5.465 41 H PHE 8 HN PHE 8 -5.697 5.687 -1.598 42 HA PHE 8 HA PHE 8 -3.518 5.855 0.184 43 HB2 PHE 8 HB2 PHE 8 -5.282 7.509 0.192 44 HB3 PHE 8 HB1 PHE 8 -6.486 6.287 0.567 45 HD1 PHE 8 HD1 PHE 8 -3.513 8.043 1.907 46 HD2 PHE 8 HD2 PHE 8 -6.985 5.759 2.797 47 HE1 PHE 8 HE1 PHE 8 -3.218 8.530 4.297 48 HE2 PHE 8 HE2 PHE 8 -6.694 6.237 5.186 49 HZ PHE 8 HZ PHE 8 -4.804 7.626 5.941 50 H CYS 9 HN CYS 9 -2.887 4.558 1.745 51 HA CYS 9 HA CYS 9 -4.556 2.227 2.334 52 HB2 CYS 9 HB2 CYS 9 -2.406 1.099 2.948 53 HB3 CYS 9 HB1 CYS 9 -2.631 1.446 1.241 54 H THR 10 HN THR 10 -5.036 1.764 4.352 55 HA THR 10 HA THR 10 -3.850 3.329 6.505 56 HB THR 10 HB THR 10 -5.784 2.209 7.803 57 HG1 THR 10 HG1 THR 10 -7.356 1.967 5.633 58 HG21 THR 10 HG21 THR 10 -5.842 4.575 7.130 59 HG22 THR 10 HG22 THR 10 -7.440 3.841 6.989 60 HG23 THR 10 HG23 THR 10 -6.459 4.103 5.547 61 H LEU 11 HN LEU 11 -4.610 0.114 5.365 62 HA LEU 11 HA LEU 11 -2.582 -1.033 7.132 63 HB2 LEU 11 HB2 LEU 11 -5.163 -2.342 6.244 64 HB3 LEU 11 HB1 LEU 11 -3.946 -3.061 7.275 65 HG LEU 11 HG LEU 11 -5.652 -0.675 8.013 66 HD11 LEU 11 HD11 LEU 11 -6.961 -2.723 7.867 67 HD12 LEU 11 HD12 LEU 11 -6.784 -2.188 9.538 68 HD13 LEU 11 HD13 LEU 11 -5.816 -3.534 8.939 69 HD21 LEU 11 HD21 LEU 11 -3.718 -2.299 9.671 70 HD22 LEU 11 HD22 LEU 11 -4.758 -1.009 10.270 71 HD23 LEU 11 HD23 LEU 11 -3.471 -0.641 9.123 72 H SER 12 HN SER 12 -1.074 -2.203 6.067 73 HA SER 12 HA SER 12 -0.723 -1.988 3.313 74 HB2 SER 12 HB2 SER 12 1.113 -3.671 3.856 75 HB3 SER 12 HB1 SER 12 1.146 -2.124 4.712 76 HG SER 12 HG SER 12 1.405 -4.120 5.980 77 H LYS 13 HN LYS 13 -2.066 -4.478 5.275 78 HA LYS 13 HA LYS 13 -1.859 -6.642 3.463 79 HB2 LYS 13 HB2 LYS 13 -3.697 -6.268 5.829 80 HB3 LYS 13 HB1 LYS 13 -3.532 -7.768 4.935 81 HG2 LYS 13 HG2 LYS 13 -2.189 -8.091 6.791 82 HG3 LYS 13 HG1 LYS 13 -1.096 -7.573 5.485 83 HD2 LYS 13 HD2 LYS 13 -0.980 -5.341 6.389 84 HD3 LYS 13 HD1 LYS 13 -2.159 -5.741 7.643 85 HE2 LYS 13 HE2 LYS 13 0.587 -6.949 7.315 86 HE3 LYS 13 HE1 LYS 13 0.169 -5.680 8.461 87 HZ1 LYS 13 HZ1 LYS 13 -0.969 -8.427 8.456 88 HZ2 LYS 13 HZ2 LYS 13 -1.314 -7.221 9.569 89 HZ3 LYS 13 HZ3 LYS 13 0.228 -7.877 9.501 90 H GLY 14 HN GLY 14 -3.996 -4.159 3.869 91 HA2 GLY 14 HA2 GLY 14 -6.289 -5.187 2.494 92 HA3 GLY 14 HA1 GLY 14 -5.974 -3.484 2.784 93 H CYS 15 HN CYS 15 -3.315 -3.871 1.332 94 HA CYS 15 HA CYS 15 -4.455 -3.274 -1.268 95 HB2 CYS 15 HB2 CYS 15 -1.659 -2.952 -0.231 96 HB3 CYS 15 HB1 CYS 15 -2.196 -2.497 -1.844 97 H CYS 16 HN CYS 16 -3.722 -4.117 -3.175 98 HA CYS 16 HA CYS 16 -3.567 -6.866 -3.303 99 HB2 CYS 16 HB2 CYS 16 -2.591 -4.929 -5.407 100 HB3 CYS 16 HB1 CYS 16 -3.068 -6.604 -5.669 101 H THR 17 HN THR 17 -0.752 -4.541 -3.543 102 HA THR 17 HA THR 17 1.106 -6.680 -3.880 103 HB THR 17 HB THR 17 2.750 -4.831 -3.582 104 HG1 THR 17 HG1 THR 17 1.976 -2.785 -3.251 105 HG21 THR 17 HG21 THR 17 1.879 -5.371 -5.811 106 HG22 THR 17 HG22 THR 17 2.065 -3.617 -5.638 107 HG23 THR 17 HG23 THR 17 0.473 -4.351 -5.511 108 H LYS 18 HN LYS 18 -0.530 -5.404 -1.247 109 HA LYS 18 HA LYS 18 -0.420 -5.544 1.002 110 HB2 LYS 18 HB2 LYS 18 1.879 -7.475 0.547 111 HB3 LYS 18 HB1 LYS 18 1.017 -7.252 2.059 112 HG2 LYS 18 HG2 LYS 18 -0.214 -8.279 -0.494 113 HG3 LYS 18 HG1 LYS 18 0.345 -9.289 0.839 114 HD2 LYS 18 HD2 LYS 18 -1.272 -8.259 2.316 115 HD3 LYS 18 HD1 LYS 18 -1.810 -7.187 1.018 116 HE2 LYS 18 HE2 LYS 18 -1.961 -10.195 0.976 117 HE3 LYS 18 HE1 LYS 18 -3.304 -9.126 1.364 118 HZ1 LYS 18 HZ1 LYS 18 -1.864 -9.153 -1.247 119 HZ2 LYS 18 HZ2 LYS 18 -3.266 -8.273 -0.867 120 HZ3 LYS 18 HZ3 LYS 18 -3.298 -9.936 -0.921 121 H ASN 19 HN ASN 19 1.448 -3.809 -0.698 122 HA ASN 19 HA ASN 19 3.379 -3.140 1.414 123 HB2 ASN 19 HB2 ASN 19 4.489 -3.961 -0.577 124 HB3 ASN 19 HB1 ASN 19 3.626 -2.799 -1.573 125 HD21 ASN 19 HD21 ASN 19 5.562 -1.932 -2.328 126 HD22 ASN 19 HD22 ASN 19 6.560 -0.938 -1.356 127 H CYS 20 HN CYS 20 2.397 -1.589 2.535 128 HA CYS 20 HA CYS 20 1.263 0.735 1.164 129 HB2 CYS 20 HB2 CYS 20 -0.074 -0.190 2.984 130 HB3 CYS 20 HB1 CYS 20 1.286 -0.082 4.095 131 H GLY 21 HN GLY 21 2.451 2.555 0.930 132 HA2 GLY 21 HA2 GLY 21 5.152 2.442 1.952 133 HA3 GLY 21 HA1 GLY 21 4.549 3.523 0.707 134 H TRP 22 HN TRP 22 6.144 4.664 2.373 135 HA TRP 22 HA TRP 22 5.172 5.641 4.802 136 HB2 TRP 22 HB2 TRP 22 7.000 7.181 4.672 137 HB3 TRP 22 HB1 TRP 22 7.593 5.616 4.214 138 HD1 TRP 22 HD1 TRP 22 7.250 5.518 1.130 139 HE1 TRP 22 HE1 TRP 22 8.358 7.230 -0.412 140 HE3 TRP 22 HE3 TRP 22 7.999 9.135 4.517 141 HZ2 TRP 22 HZ2 TRP 22 9.449 9.852 -0.198 142 HZ3 TRP 22 HZ3 TRP 22 9.099 11.278 3.816 143 HH2 TRP 22 HH2 TRP 22 9.804 11.601 1.492 144 H ASN 23 HN ASN 23 4.287 6.391 1.679 145 HA ASN 23 HA ASN 23 3.546 9.162 2.206 146 HB2 ASN 23 HB2 ASN 23 3.102 9.254 -0.210 147 HB3 ASN 23 HB1 ASN 23 4.725 8.655 0.106 148 HD21 ASN 23 HD21 ASN 23 3.175 8.315 -2.258 149 HD22 ASN 23 HD22 ASN 23 2.954 6.623 -2.500 150 H PHE 24 HN PHE 24 2.309 6.294 2.892 151 HA PHE 24 HA PHE 24 0.324 5.423 3.336 152 HB2 PHE 24 HB2 PHE 24 -0.442 8.315 3.266 153 HB3 PHE 24 HB1 PHE 24 -1.681 7.079 3.465 154 HD1 PHE 24 HD1 PHE 24 1.098 8.827 5.030 155 HD2 PHE 24 HD2 PHE 24 -1.691 5.642 5.422 156 HE1 PHE 24 HE1 PHE 24 1.587 8.694 7.441 157 HE2 PHE 24 HE2 PHE 24 -1.209 5.504 7.829 158 HZ PHE 24 HZ PHE 24 0.435 7.035 8.842 159 H LYS 25 HN LYS 25 1.250 5.630 0.620 160 HA LYS 25 HA LYS 25 -1.292 4.859 -0.609 161 HB2 LYS 25 HB2 LYS 25 1.170 6.056 -1.783 162 HB3 LYS 25 HB1 LYS 25 -0.051 5.282 -2.784 163 HG2 LYS 25 HG2 LYS 25 -1.655 7.008 -2.071 164 HG3 LYS 25 HG1 LYS 25 -0.386 7.761 -1.093 165 HD2 LYS 25 HD2 LYS 25 0.953 8.178 -3.049 166 HD3 LYS 25 HD1 LYS 25 -0.178 7.286 -4.062 167 HE2 LYS 25 HE2 LYS 25 -0.780 9.834 -2.578 168 HE3 LYS 25 HE1 LYS 25 -0.404 9.712 -4.295 169 HZ1 LYS 25 HZ1 LYS 25 -2.786 8.600 -2.906 170 HZ2 LYS 25 HZ2 LYS 25 -2.371 8.214 -4.484 171 HZ3 LYS 25 HZ3 LYS 25 -2.756 9.805 -4.085 172 H CYS 26 HN CYS 26 -1.198 2.866 -1.553 173 HA CYS 26 HA CYS 26 1.029 1.294 -0.774 174 HB2 CYS 26 HB2 CYS 26 -1.494 0.590 -2.219 175 HB3 CYS 26 HB1 CYS 26 -0.186 -0.574 -2.038 176 H ASN 27 HN ASN 27 2.454 0.190 -1.939 177 HA ASN 27 HA ASN 27 3.099 1.408 -4.539 178 HB2 ASN 27 HB2 ASN 27 4.869 0.807 -2.162 179 HB3 ASN 27 HB1 ASN 27 5.511 1.103 -3.772 180 HD21 ASN 27 HD21 ASN 27 5.851 2.574 -1.243 181 HD22 ASN 27 HD22 ASN 27 5.370 4.193 -1.599 182 HA HYP 28 HA HYP 28 3.867 -2.870 -5.775 183 HB2 HYP 28 HB1 HYP 28 5.036 -2.742 -7.807 184 HB3 HYP 28 HB2 HYP 28 6.345 -1.791 -7.084 185 HG HYP 28 HG HYP 28 5.096 -0.229 -8.422 186 HD22 HYP 28 HD11 HYP 28 3.769 0.891 -6.414 187 HD23 HYP 28 HD12 HYP 28 5.522 0.656 -6.210 188 HD1 HYP 28 HD2 HYP 28 2.839 -0.051 -7.949 189 HA HYP 29 HA HYP 29 6.250 -4.337 -2.471 190 HB2 HYP 29 HB1 HYP 29 5.427 -6.400 -2.822 191 HB3 HYP 29 HB2 HYP 29 7.026 -6.724 -3.509 192 HG HYP 29 HG HYP 29 5.939 -7.061 -5.547 193 HD22 HYP 29 HD11 HYP 29 4.801 -4.689 -6.266 194 HD23 HYP 29 HD12 HYP 29 6.568 -4.866 -6.190 195 HD1 HYP 29 HD2 HYP 29 3.797 -6.101 -5.711 196 H ASN 30 HN ASN 30 8.133 -3.419 -2.062 197 HA ASN 30 HA ASN 30 10.491 -4.382 -3.455 198 HB2 ASN 30 HB2 ASN 30 9.901 -2.249 -4.603 199 HB3 ASN 30 HB1 ASN 30 9.939 -1.415 -3.060 200 HD21 ASN 30 HD21 ASN 30 11.858 -0.644 -2.338 201 HD22 ASN 30 HD22 ASN 30 13.362 -0.874 -3.133 202 H GLN 31 HN GLN 31 9.554 -1.988 -1.034 203 HA GLN 31 HA GLN 31 11.047 -3.511 0.974 204 HB2 GLN 31 HB2 GLN 31 10.984 -0.481 0.788 205 HB3 GLN 31 HB1 GLN 31 11.773 -1.423 2.038 206 HG2 GLN 31 HG2 GLN 31 12.530 -1.317 -0.861 207 HG3 GLN 31 HG1 GLN 31 13.383 -0.562 0.482 208 HE21 GLN 31 HE21 GLN 31 14.138 -2.553 -1.509 209 HE22 GLN 31 HE22 GLN 31 14.781 -3.880 -0.607 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -12.478 -7.820 -0.815 2 H2 GLY 1 HT2 GLY 1 -11.949 -6.476 0.063 3 H3 GLY 1 HT3 GLY 1 -10.943 -7.808 -0.100 4 HA2 GLY 1 HA1 GLY 1 -10.779 -7.425 -2.464 5 HA3 GLY 1 HA2 GLY 1 -11.837 -6.029 -2.283 6 H CYS 2 HN CYS 2 -8.847 -6.596 -2.954 7 HA CYS 2 HA CYS 2 -7.505 -5.117 -0.890 8 HB2 CYS 2 HB2 CYS 2 -5.480 -5.468 -2.226 9 HB3 CYS 2 HB1 CYS 2 -6.356 -6.972 -1.973 10 H ILE 3 HN ILE 3 -6.304 -3.223 -1.250 11 HA ILE 3 HA ILE 3 -7.668 -1.264 -2.871 12 HB ILE 3 HB ILE 3 -5.220 -0.974 -1.086 13 HG12 ILE 3 HG12 ILE 3 -8.102 -0.316 -0.497 14 HG13 ILE 3 HG11 ILE 3 -7.250 -1.719 0.141 15 HG21 ILE 3 HG21 ILE 3 -5.744 1.430 -1.133 16 HG22 ILE 3 HG22 ILE 3 -7.062 1.113 -2.262 17 HG23 ILE 3 HG23 ILE 3 -5.394 0.797 -2.744 18 HD11 ILE 3 HD11 ILE 3 -5.716 -0.229 1.343 19 HD12 ILE 3 HD12 ILE 3 -7.395 0.061 1.804 20 HD13 ILE 3 HD13 ILE 3 -6.576 1.167 0.701 21 H ALA 4 HN ALA 4 -7.036 -0.793 -4.839 22 HA ALA 4 HA ALA 4 -4.826 -2.054 -6.078 23 HB1 ALA 4 HB1 ALA 4 -6.472 0.272 -7.063 24 HB2 ALA 4 HB2 ALA 4 -6.829 -1.436 -7.335 25 HB3 ALA 4 HB3 ALA 4 -5.377 -0.713 -8.030 26 H THR 5 HN THR 5 -2.911 -1.186 -6.784 27 HA THR 5 HA THR 5 -1.814 0.640 -4.978 28 HB THR 5 HB THR 5 0.225 0.463 -6.302 29 HG1 THR 5 HG1 THR 5 -1.040 -1.606 -7.798 30 HG21 THR 5 HG21 THR 5 -1.168 -2.096 -5.582 31 HG22 THR 5 HG22 THR 5 -0.188 -1.069 -4.531 32 HG23 THR 5 HG23 THR 5 0.561 -1.931 -5.870 33 H GLY 6 HN GLY 6 -1.174 2.669 -5.153 34 HA2 GLY 6 HA2 GLY 6 -0.931 4.704 -6.439 35 HA3 GLY 6 HA1 GLY 6 -2.268 4.150 -7.448 36 H SER 7 HN SER 7 -3.652 3.098 -4.999 37 HA SER 7 HA SER 7 -4.886 5.611 -4.248 38 HB2 SER 7 HB2 SER 7 -5.681 2.765 -3.607 39 HB3 SER 7 HB1 SER 7 -6.650 4.207 -3.305 40 HG SER 7 HG SER 7 -5.704 3.607 -5.882 41 H PHE 8 HN PHE 8 -5.447 5.946 -1.985 42 HA PHE 8 HA PHE 8 -3.274 5.898 -0.201 43 HB2 PHE 8 HB2 PHE 8 -5.034 7.603 -0.181 44 HB3 PHE 8 HB1 PHE 8 -6.234 6.390 0.216 45 HD1 PHE 8 HD1 PHE 8 -3.389 8.342 1.496 46 HD2 PHE 8 HD2 PHE 8 -6.562 5.676 2.481 47 HE1 PHE 8 HE1 PHE 8 -3.088 8.862 3.881 48 HE2 PHE 8 HE2 PHE 8 -6.254 6.186 4.863 49 HZ PHE 8 HZ PHE 8 -4.521 7.777 5.566 50 H CYS 9 HN CYS 9 -2.940 4.637 1.665 51 HA CYS 9 HA CYS 9 -4.688 2.304 1.983 52 HB2 CYS 9 HB2 CYS 9 -2.697 0.940 2.487 53 HB3 CYS 9 HB1 CYS 9 -2.722 1.531 0.831 54 H THR 10 HN THR 10 -5.043 1.619 4.064 55 HA THR 10 HA THR 10 -3.971 3.303 6.166 56 HB THR 10 HB THR 10 -5.814 2.075 7.470 57 HG1 THR 10 HG1 THR 10 -7.396 1.129 6.169 58 HG21 THR 10 HG21 THR 10 -6.043 4.406 6.679 59 HG22 THR 10 HG22 THR 10 -7.574 3.542 6.561 60 HG23 THR 10 HG23 THR 10 -6.601 3.812 5.116 61 H LEU 11 HN LEU 11 -4.319 -0.021 5.086 62 HA LEU 11 HA LEU 11 -2.375 -0.935 7.111 63 HB2 LEU 11 HB2 LEU 11 -4.690 -2.476 5.944 64 HB3 LEU 11 HB1 LEU 11 -3.582 -3.043 7.172 65 HG LEU 11 HG LEU 11 -5.566 -0.793 7.538 66 HD11 LEU 11 HD11 LEU 11 -6.789 -2.369 8.920 67 HD12 LEU 11 HD12 LEU 11 -5.623 -3.629 8.529 68 HD13 LEU 11 HD13 LEU 11 -6.653 -2.957 7.263 69 HD21 LEU 11 HD21 LEU 11 -3.805 -2.224 9.520 70 HD22 LEU 11 HD22 LEU 11 -5.008 -0.995 9.909 71 HD23 LEU 11 HD23 LEU 11 -3.584 -0.567 8.960 72 H SER 12 HN SER 12 -0.859 -2.521 6.343 73 HA SER 12 HA SER 12 -0.176 -2.365 3.614 74 HB2 SER 12 HB2 SER 12 1.469 -4.179 4.287 75 HB3 SER 12 HB1 SER 12 1.569 -2.662 5.185 76 HG SER 12 HG SER 12 0.834 -5.187 5.999 77 H LYS 13 HN LYS 13 -1.857 -4.696 5.557 78 HA LYS 13 HA LYS 13 -2.003 -6.647 3.515 79 HB2 LYS 13 HB2 LYS 13 -3.656 -7.799 5.025 80 HB3 LYS 13 HB1 LYS 13 -2.090 -7.477 5.730 81 HG2 LYS 13 HG2 LYS 13 -3.720 -7.054 7.412 82 HG3 LYS 13 HG1 LYS 13 -3.100 -5.495 6.894 83 HD2 LYS 13 HD2 LYS 13 -5.516 -5.390 7.204 84 HD3 LYS 13 HD1 LYS 13 -5.116 -5.184 5.502 85 HE2 LYS 13 HE2 LYS 13 -5.724 -7.475 5.039 86 HE3 LYS 13 HE1 LYS 13 -6.001 -7.785 6.754 87 HZ1 LYS 13 HZ1 LYS 13 -7.543 -5.867 5.081 88 HZ2 LYS 13 HZ2 LYS 13 -7.809 -6.210 6.701 89 HZ3 LYS 13 HZ3 LYS 13 -8.062 -7.398 5.550 90 H GLY 14 HN GLY 14 -3.409 -3.762 3.608 91 HA2 GLY 14 HA2 GLY 14 -5.939 -4.594 2.489 92 HA3 GLY 14 HA1 GLY 14 -5.427 -2.931 2.789 93 H CYS 15 HN CYS 15 -2.839 -3.518 1.485 94 HA CYS 15 HA CYS 15 -3.649 -2.638 -1.119 95 HB2 CYS 15 HB2 CYS 15 -0.941 -3.239 0.031 96 HB3 CYS 15 HB1 CYS 15 -1.232 -2.459 -1.522 97 H CYS 16 HN CYS 16 -3.449 -3.682 -3.060 98 HA CYS 16 HA CYS 16 -3.510 -6.486 -3.125 99 HB2 CYS 16 HB2 CYS 16 -2.869 -4.603 -5.406 100 HB3 CYS 16 HB1 CYS 16 -3.399 -6.271 -5.575 101 H THR 17 HN THR 17 -0.741 -4.215 -3.491 102 HA THR 17 HA THR 17 1.096 -6.300 -4.159 103 HB THR 17 HB THR 17 2.714 -4.419 -3.546 104 HG1 THR 17 HG1 THR 17 1.857 -2.478 -3.183 105 HG21 THR 17 HG21 THR 17 0.679 -4.043 -5.749 106 HG22 THR 17 HG22 THR 17 2.159 -4.999 -5.865 107 HG23 THR 17 HG23 THR 17 2.248 -3.247 -5.672 108 H LYS 18 HN LYS 18 -0.438 -5.458 -1.332 109 HA LYS 18 HA LYS 18 -0.177 -5.787 0.871 110 HB2 LYS 18 HB2 LYS 18 2.132 -7.545 0.026 111 HB3 LYS 18 HB1 LYS 18 1.529 -7.446 1.669 112 HG2 LYS 18 HG2 LYS 18 -0.063 -8.352 -0.716 113 HG3 LYS 18 HG1 LYS 18 0.725 -9.428 0.430 114 HD2 LYS 18 HD2 LYS 18 -1.497 -7.466 1.059 115 HD3 LYS 18 HD1 LYS 18 -1.667 -9.210 0.905 116 HE2 LYS 18 HE2 LYS 18 -0.048 -7.751 3.005 117 HE3 LYS 18 HE1 LYS 18 -1.588 -8.566 3.241 118 HZ1 LYS 18 HZ1 LYS 18 -0.526 -10.664 2.701 119 HZ2 LYS 18 HZ2 LYS 18 0.216 -9.901 4.000 120 HZ3 LYS 18 HZ3 LYS 18 0.967 -9.886 2.505 121 H ASN 19 HN ASN 19 1.596 -3.775 -0.722 122 HA ASN 19 HA ASN 19 3.287 -3.111 1.575 123 HB2 ASN 19 HB2 ASN 19 4.714 -3.636 -0.335 124 HB3 ASN 19 HB1 ASN 19 3.827 -2.491 -1.340 125 HD21 ASN 19 HD21 ASN 19 5.632 -1.181 -1.767 126 HD22 ASN 19 HD22 ASN 19 6.308 -0.177 -0.547 127 H CYS 20 HN CYS 20 2.606 -1.484 2.630 128 HA CYS 20 HA CYS 20 1.228 0.723 1.280 129 HB2 CYS 20 HB2 CYS 20 -0.225 -0.485 2.867 130 HB3 CYS 20 HB1 CYS 20 0.989 -0.325 4.130 131 H GLY 21 HN GLY 21 2.620 2.397 1.141 132 HA2 GLY 21 HA2 GLY 21 5.079 2.301 2.673 133 HA3 GLY 21 HA1 GLY 21 4.664 3.456 1.418 134 H TRP 22 HN TRP 22 5.911 4.539 3.544 135 HA TRP 22 HA TRP 22 4.003 5.401 5.435 136 HB2 TRP 22 HB2 TRP 22 5.740 6.881 6.225 137 HB3 TRP 22 HB1 TRP 22 6.343 5.263 6.236 138 HD1 TRP 22 HD1 TRP 22 7.887 4.912 3.621 139 HE1 TRP 22 HE1 TRP 22 9.737 6.533 2.875 140 HE3 TRP 22 HE3 TRP 22 6.578 8.827 6.441 141 HZ2 TRP 22 HZ2 TRP 22 10.551 9.202 3.458 142 HZ3 TRP 22 HZ3 TRP 22 7.925 10.945 6.351 143 HH2 TRP 22 HH2 TRP 22 9.883 11.098 4.876 144 H ASN 23 HN ASN 23 4.461 6.104 2.308 145 HA ASN 23 HA ASN 23 3.600 8.865 2.326 146 HB2 ASN 23 HB2 ASN 23 3.385 8.584 -0.117 147 HB3 ASN 23 HB1 ASN 23 4.940 7.968 0.405 148 HD21 ASN 23 HD21 ASN 23 3.695 7.332 -2.025 149 HD22 ASN 23 HD22 ASN 23 3.342 5.640 -2.041 150 H PHE 24 HN PHE 24 2.311 5.876 2.897 151 HA PHE 24 HA PHE 24 0.380 4.967 3.215 152 HB2 PHE 24 HB2 PHE 24 -0.389 7.824 3.600 153 HB3 PHE 24 HB1 PHE 24 -1.619 6.563 3.683 154 HD1 PHE 24 HD1 PHE 24 1.573 7.722 5.174 155 HD2 PHE 24 HD2 PHE 24 -1.834 5.211 5.568 156 HE1 PHE 24 HE1 PHE 24 2.208 7.244 7.494 157 HE2 PHE 24 HE2 PHE 24 -1.209 4.724 7.901 158 HZ PHE 24 HZ PHE 24 0.820 5.739 8.865 159 H LYS 25 HN LYS 25 1.186 4.982 0.748 160 HA LYS 25 HA LYS 25 -1.373 4.735 -0.612 161 HB2 LYS 25 HB2 LYS 25 1.258 5.597 -1.789 162 HB3 LYS 25 HB1 LYS 25 -0.179 5.201 -2.722 163 HG2 LYS 25 HG2 LYS 25 -1.353 7.087 -1.693 164 HG3 LYS 25 HG1 LYS 25 0.080 7.450 -0.733 165 HD2 LYS 25 HD2 LYS 25 -0.014 8.944 -2.625 166 HD3 LYS 25 HD1 LYS 25 1.337 7.826 -2.818 167 HE2 LYS 25 HE2 LYS 25 0.049 6.493 -4.374 168 HE3 LYS 25 HE1 LYS 25 -1.370 7.503 -4.111 169 HZ1 LYS 25 HZ1 LYS 25 1.189 8.338 -5.347 170 HZ2 LYS 25 HZ2 LYS 25 -0.094 9.368 -5.003 171 HZ3 LYS 25 HZ3 LYS 25 -0.294 8.131 -6.130 172 H CYS 26 HN CYS 26 -1.477 2.889 -1.892 173 HA CYS 26 HA CYS 26 0.200 0.762 -1.033 174 HB2 CYS 26 HB2 CYS 26 -1.930 0.955 -3.142 175 HB3 CYS 26 HB1 CYS 26 -1.125 -0.564 -2.727 176 H ASN 27 HN ASN 27 2.100 0.349 -1.770 177 HA ASN 27 HA ASN 27 2.929 1.445 -4.384 178 HB2 ASN 27 HB2 ASN 27 4.629 0.934 -1.918 179 HB3 ASN 27 HB1 ASN 27 5.195 1.615 -3.431 180 HD21 ASN 27 HD21 ASN 27 5.395 2.663 -0.782 181 HD22 ASN 27 HD22 ASN 27 4.574 4.183 -0.743 182 HA HYP 28 HA HYP 28 4.267 -2.856 -5.193 183 HB2 HYP 28 HB1 HYP 28 5.272 -2.676 -7.285 184 HB3 HYP 28 HB2 HYP 28 6.632 -1.781 -6.598 185 HG HYP 28 HG HYP 28 5.583 -0.127 -7.910 186 HD22 HYP 28 HD11 HYP 28 4.008 1.010 -6.086 187 HD23 HYP 28 HD12 HYP 28 5.718 0.756 -5.666 188 HD1 HYP 28 HD2 HYP 28 3.228 0.056 -7.581 189 HA HYP 29 HA HYP 29 7.334 -3.712 -2.124 190 HB2 HYP 29 HB1 HYP 29 7.888 -5.917 -2.404 191 HB3 HYP 29 HB2 HYP 29 8.933 -5.518 -3.773 192 HG HYP 29 HG HYP 29 7.210 -6.707 -4.855 193 HD22 HYP 29 HD11 HYP 29 5.540 -4.740 -5.522 194 HD23 HYP 29 HD12 HYP 29 7.265 -4.515 -5.895 195 HD1 HYP 29 HD2 HYP 29 5.014 -5.784 -4.069 196 H ASN 30 HN ASN 30 8.735 -2.181 -1.656 197 HA ASN 30 HA ASN 30 11.166 -1.839 -3.167 198 HB2 ASN 30 HB2 ASN 30 9.577 -0.401 -4.436 199 HB3 ASN 30 HB1 ASN 30 9.263 0.498 -2.954 200 HD21 ASN 30 HD21 ASN 30 10.015 2.438 -3.788 201 HD22 ASN 30 HD22 ASN 30 11.683 2.745 -4.056 202 H GLN 31 HN GLN 31 9.039 -0.673 -0.590 203 HA GLN 31 HA GLN 31 11.163 0.587 0.862 204 HB2 GLN 31 HB2 GLN 31 8.336 -0.126 1.690 205 HB3 GLN 31 HB1 GLN 31 9.471 0.685 2.741 206 HG2 GLN 31 HG2 GLN 31 7.948 2.304 1.879 207 HG3 GLN 31 HG1 GLN 31 9.506 2.584 1.121 208 HE21 GLN 31 HE21 GLN 31 9.687 2.294 -1.059 209 HE22 GLN 31 HE22 GLN 31 8.323 2.067 -2.101 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -10.244 -8.908 -3.423 2 H2 GLY 1 HT2 GLY 1 -11.909 -8.856 -3.692 3 H3 GLY 1 HT3 GLY 1 -11.295 -8.705 -2.119 4 HA2 GLY 1 HA1 GLY 1 -10.888 -6.764 -4.304 5 HA3 GLY 1 HA2 GLY 1 -11.972 -6.577 -2.930 6 H CYS 2 HN CYS 2 -9.084 -5.616 -4.054 7 HA CYS 2 HA CYS 2 -8.062 -5.192 -1.354 8 HB2 CYS 2 HB2 CYS 2 -5.746 -5.460 -2.335 9 HB3 CYS 2 HB1 CYS 2 -6.681 -6.943 -2.201 10 H ILE 3 HN ILE 3 -6.463 -3.342 -1.330 11 HA ILE 3 HA ILE 3 -7.516 -1.183 -2.921 12 HB ILE 3 HB ILE 3 -5.181 -1.109 -0.970 13 HG12 ILE 3 HG12 ILE 3 -8.071 -0.393 -0.516 14 HG13 ILE 3 HG11 ILE 3 -7.284 -1.837 0.123 15 HG21 ILE 3 HG21 ILE 3 -6.900 1.095 -2.124 16 HG22 ILE 3 HG22 ILE 3 -5.220 0.755 -2.541 17 HG23 ILE 3 HG23 ILE 3 -5.630 1.311 -0.918 18 HD11 ILE 3 HD11 ILE 3 -7.474 -0.122 1.837 19 HD12 ILE 3 HD12 ILE 3 -6.607 1.018 0.809 20 HD13 ILE 3 HD13 ILE 3 -5.779 -0.408 1.436 21 H ALA 4 HN ALA 4 -6.772 -0.714 -4.804 22 HA ALA 4 HA ALA 4 -4.534 -1.970 -5.990 23 HB1 ALA 4 HB1 ALA 4 -4.959 -0.498 -7.901 24 HB2 ALA 4 HB2 ALA 4 -6.062 0.467 -6.922 25 HB3 ALA 4 HB3 ALA 4 -6.463 -1.207 -7.311 26 H THR 5 HN THR 5 -2.565 -1.041 -6.612 27 HA THR 5 HA THR 5 -1.543 0.619 -4.604 28 HB THR 5 HB THR 5 0.560 0.469 -5.796 29 HG1 THR 5 HG1 THR 5 -0.378 -1.512 -7.514 30 HG21 THR 5 HG21 THR 5 -0.947 -2.083 -5.343 31 HG22 THR 5 HG22 THR 5 0.023 -1.172 -4.186 32 HG23 THR 5 HG23 THR 5 0.799 -1.973 -5.547 33 H GLY 6 HN GLY 6 -0.810 2.674 -4.641 34 HA2 GLY 6 HA2 GLY 6 -0.505 4.796 -5.700 35 HA3 GLY 6 HA1 GLY 6 -1.668 4.302 -6.931 36 H SER 7 HN SER 7 -3.318 3.089 -4.725 37 HA SER 7 HA SER 7 -4.757 5.498 -4.069 38 HB2 SER 7 HB2 SER 7 -5.451 2.581 -3.690 39 HB3 SER 7 HB1 SER 7 -6.558 3.940 -3.479 40 HG SER 7 HG SER 7 -5.431 4.214 -5.828 41 H PHE 8 HN PHE 8 -5.549 5.788 -1.899 42 HA PHE 8 HA PHE 8 -3.521 5.763 0.066 43 HB2 PHE 8 HB2 PHE 8 -5.262 7.489 -0.102 44 HB3 PHE 8 HB1 PHE 8 -6.493 6.299 0.270 45 HD1 PHE 8 HD1 PHE 8 -6.930 5.649 2.538 46 HD2 PHE 8 HD2 PHE 8 -3.704 8.269 1.628 47 HE1 PHE 8 HE1 PHE 8 -6.731 6.226 4.913 48 HE2 PHE 8 HE2 PHE 8 -3.500 8.840 4.005 49 HZ PHE 8 HZ PHE 8 -5.012 7.823 5.649 50 H CYS 9 HN CYS 9 -3.171 4.413 1.765 51 HA CYS 9 HA CYS 9 -4.904 2.019 1.998 52 HB2 CYS 9 HB2 CYS 9 -3.035 0.697 2.353 53 HB3 CYS 9 HB1 CYS 9 -2.348 1.880 1.245 54 H THR 10 HN THR 10 -5.139 1.259 4.203 55 HA THR 10 HA THR 10 -4.211 3.206 6.138 56 HB THR 10 HB THR 10 -6.001 2.306 7.685 57 HG1 THR 10 HG1 THR 10 -7.273 0.790 7.040 58 HG21 THR 10 HG21 THR 10 -6.254 4.378 6.374 59 HG22 THR 10 HG22 THR 10 -7.803 3.558 6.604 60 HG23 THR 10 HG23 THR 10 -6.958 3.448 5.057 61 H LEU 11 HN LEU 11 -4.138 -0.058 5.111 62 HA LEU 11 HA LEU 11 -1.989 -0.635 6.974 63 HB2 LEU 11 HB2 LEU 11 -4.338 -2.450 6.354 64 HB3 LEU 11 HB1 LEU 11 -2.900 -2.944 7.213 65 HG LEU 11 HG LEU 11 -4.902 -0.909 8.210 66 HD11 LEU 11 HD11 LEU 11 -4.437 -3.775 9.018 67 HD12 LEU 11 HD12 LEU 11 -5.828 -3.160 8.128 68 HD13 LEU 11 HD13 LEU 11 -5.551 -2.649 9.794 69 HD21 LEU 11 HD21 LEU 11 -2.536 -2.203 9.574 70 HD22 LEU 11 HD22 LEU 11 -3.704 -1.125 10.337 71 HD23 LEU 11 HD23 LEU 11 -2.642 -0.516 9.070 72 H SER 12 HN SER 12 -0.463 -2.065 5.978 73 HA SER 12 HA SER 12 -0.234 -1.884 3.195 74 HB2 SER 12 HB2 SER 12 1.548 -3.718 3.713 75 HB3 SER 12 HB1 SER 12 1.771 -2.063 4.279 76 HG SER 12 HG SER 12 2.054 -3.105 6.092 77 H LYS 13 HN LYS 13 -1.501 -4.347 5.288 78 HA LYS 13 HA LYS 13 -1.600 -6.377 3.328 79 HB2 LYS 13 HB2 LYS 13 -2.992 -7.631 4.948 80 HB3 LYS 13 HB1 LYS 13 -1.483 -7.043 5.601 81 HG2 LYS 13 HG2 LYS 13 -3.075 -6.753 7.303 82 HG3 LYS 13 HG1 LYS 13 -2.796 -5.150 6.639 83 HD2 LYS 13 HD2 LYS 13 -5.150 -5.444 7.048 84 HD3 LYS 13 HD1 LYS 13 -4.863 -5.379 5.313 85 HE2 LYS 13 HE2 LYS 13 -6.479 -7.137 5.877 86 HE3 LYS 13 HE1 LYS 13 -5.027 -7.821 5.171 87 HZ1 LYS 13 HZ1 LYS 13 -5.845 -9.056 7.123 88 HZ2 LYS 13 HZ2 LYS 13 -5.569 -7.706 8.095 89 HZ3 LYS 13 HZ3 LYS 13 -4.280 -8.491 7.353 90 H GLY 14 HN GLY 14 -3.505 -3.646 3.601 91 HA2 GLY 14 HA2 GLY 14 -5.913 -4.864 2.544 92 HA3 GLY 14 HA1 GLY 14 -5.628 -3.143 2.804 93 H CYS 15 HN CYS 15 -2.989 -3.605 1.435 94 HA CYS 15 HA CYS 15 -3.820 -2.710 -1.143 95 HB2 CYS 15 HB2 CYS 15 -1.099 -3.396 -0.070 96 HB3 CYS 15 HB1 CYS 15 -1.445 -2.450 -1.516 97 H CYS 16 HN CYS 16 -3.498 -3.742 -3.089 98 HA CYS 16 HA CYS 16 -3.733 -6.518 -3.203 99 HB2 CYS 16 HB2 CYS 16 -2.823 -4.620 -5.367 100 HB3 CYS 16 HB1 CYS 16 -3.393 -6.269 -5.625 101 H THR 17 HN THR 17 -0.790 -4.448 -3.472 102 HA THR 17 HA THR 17 0.918 -6.661 -4.026 103 HB THR 17 HB THR 17 2.628 -4.885 -3.486 104 HG1 THR 17 HG1 THR 17 1.846 -2.859 -3.071 105 HG21 THR 17 HG21 THR 17 1.878 -5.361 -5.763 106 HG22 THR 17 HG22 THR 17 2.098 -3.623 -5.548 107 HG23 THR 17 HG23 THR 17 0.478 -4.317 -5.535 108 H LYS 18 HN LYS 18 -0.693 -5.680 -1.283 109 HA LYS 18 HA LYS 18 -0.550 -5.957 0.937 110 HB2 LYS 18 HB2 LYS 18 1.645 -7.928 0.253 111 HB3 LYS 18 HB1 LYS 18 0.864 -7.787 1.819 112 HG2 LYS 18 HG2 LYS 18 -0.533 -8.529 -0.744 113 HG3 LYS 18 HG1 LYS 18 0.027 -9.676 0.473 114 HD2 LYS 18 HD2 LYS 18 -1.480 -8.677 2.117 115 HD3 LYS 18 HD1 LYS 18 -2.000 -7.484 0.930 116 HE2 LYS 18 HE2 LYS 18 -3.608 -9.319 1.175 117 HE3 LYS 18 HE1 LYS 18 -2.949 -9.208 -0.452 118 HZ1 LYS 18 HZ1 LYS 18 -3.091 -11.476 0.327 119 HZ2 LYS 18 HZ2 LYS 18 -2.059 -11.167 1.619 120 HZ3 LYS 18 HZ3 LYS 18 -1.491 -11.068 0.037 121 H ASN 19 HN ASN 19 1.220 -4.066 -0.569 122 HA ASN 19 HA ASN 19 3.070 -3.463 1.635 123 HB2 ASN 19 HB2 ASN 19 4.294 -4.422 -0.309 124 HB3 ASN 19 HB1 ASN 19 3.661 -3.117 -1.306 125 HD21 ASN 19 HD21 ASN 19 5.635 -2.178 -1.760 126 HD22 ASN 19 HD22 ASN 19 6.589 -1.398 -0.564 127 H CYS 20 HN CYS 20 2.899 -1.442 2.362 128 HA CYS 20 HA CYS 20 1.907 0.639 0.590 129 HB2 CYS 20 HB2 CYS 20 0.034 -0.102 2.096 130 HB3 CYS 20 HB1 CYS 20 1.064 0.241 3.476 131 H GLY 21 HN GLY 21 2.874 2.676 1.069 132 HA2 GLY 21 HA2 GLY 21 5.276 2.373 2.757 133 HA3 GLY 21 HA1 GLY 21 5.164 3.427 1.356 134 H TRP 22 HN TRP 22 6.118 4.872 3.146 135 HA TRP 22 HA TRP 22 4.503 5.845 5.233 136 HB2 TRP 22 HB2 TRP 22 6.139 7.505 5.496 137 HB3 TRP 22 HB1 TRP 22 7.041 6.075 5.135 138 HD1 TRP 22 HD1 TRP 22 7.448 6.064 2.091 139 HE1 TRP 22 HE1 TRP 22 8.486 8.042 0.825 140 HE3 TRP 22 HE3 TRP 22 6.657 9.605 5.527 141 HZ2 TRP 22 HZ2 TRP 22 8.932 10.809 1.263 142 HZ3 TRP 22 HZ3 TRP 22 7.415 11.964 5.086 143 HH2 TRP 22 HH2 TRP 22 8.534 12.522 2.982 144 H ASN 23 HN ASN 23 4.317 6.258 1.970 145 HA ASN 23 HA ASN 23 3.375 8.976 1.841 146 HB2 ASN 23 HB2 ASN 23 3.000 8.499 -0.542 147 HB3 ASN 23 HB1 ASN 23 4.605 7.969 -0.058 148 HD21 ASN 23 HD21 ASN 23 3.058 7.088 -2.337 149 HD22 ASN 23 HD22 ASN 23 2.814 5.391 -2.143 150 H PHE 24 HN PHE 24 2.093 6.196 3.005 151 HA PHE 24 HA PHE 24 0.063 5.495 3.632 152 HB2 PHE 24 HB2 PHE 24 -0.622 8.351 2.984 153 HB3 PHE 24 HB1 PHE 24 -1.883 7.213 3.437 154 HD1 PHE 24 HD1 PHE 24 -2.325 6.763 5.674 155 HD2 PHE 24 HD2 PHE 24 1.317 8.691 4.611 156 HE1 PHE 24 HE1 PHE 24 -1.848 7.162 8.048 157 HE2 PHE 24 HE2 PHE 24 1.798 9.098 6.991 158 HZ PHE 24 HZ PHE 24 0.209 8.330 8.714 159 H LYS 25 HN LYS 25 1.022 5.244 0.877 160 HA LYS 25 HA LYS 25 -1.556 4.570 -0.309 161 HB2 LYS 25 HB2 LYS 25 0.828 5.771 -1.704 162 HB3 LYS 25 HB1 LYS 25 -0.541 5.050 -2.533 163 HG2 LYS 25 HG2 LYS 25 -2.016 6.737 -1.616 164 HG3 LYS 25 HG1 LYS 25 -0.676 7.430 -0.695 165 HD2 LYS 25 HD2 LYS 25 0.493 7.950 -2.750 166 HD3 LYS 25 HD1 LYS 25 -0.789 7.186 -3.689 167 HE2 LYS 25 HE2 LYS 25 -2.373 8.844 -2.935 168 HE3 LYS 25 HE1 LYS 25 -1.157 9.583 -1.901 169 HZ1 LYS 25 HZ1 LYS 25 -1.447 10.764 -4.016 170 HZ2 LYS 25 HZ2 LYS 25 -0.977 9.379 -4.849 171 HZ3 LYS 25 HZ3 LYS 25 0.121 10.162 -3.846 172 H CYS 26 HN CYS 26 -1.583 2.753 -1.506 173 HA CYS 26 HA CYS 26 0.169 0.696 -0.722 174 HB2 CYS 26 HB2 CYS 26 -1.928 0.899 -2.851 175 HB3 CYS 26 HB1 CYS 26 -1.142 -0.624 -2.401 176 H ASN 27 HN ASN 27 1.931 -0.089 -1.699 177 HA ASN 27 HA ASN 27 2.768 1.199 -4.208 178 HB2 ASN 27 HB2 ASN 27 4.427 0.706 -1.728 179 HB3 ASN 27 HB1 ASN 27 5.085 1.224 -3.275 180 HD21 ASN 27 HD21 ASN 27 5.164 2.507 -0.685 181 HD22 ASN 27 HD22 ASN 27 4.424 4.059 -0.865 182 HA HYP 28 HA HYP 28 3.847 -2.814 -5.884 183 HB2 HYP 28 HB1 HYP 28 5.638 -2.466 -7.364 184 HB3 HYP 28 HB2 HYP 28 6.512 -1.447 -6.210 185 HG HYP 28 HG HYP 28 5.521 0.134 -7.681 186 HD22 HYP 28 HD11 HYP 28 3.169 0.469 -6.241 187 HD23 HYP 28 HD12 HYP 28 4.743 0.997 -5.622 188 HD1 HYP 28 HD2 HYP 28 3.398 -0.043 -8.286 189 HA HYP 29 HA HYP 29 5.499 -5.101 -2.473 190 HB2 HYP 29 HB1 HYP 29 4.944 -7.095 -3.434 191 HB3 HYP 29 HB2 HYP 29 6.634 -7.176 -3.944 192 HG HYP 29 HG HYP 29 5.826 -7.060 -6.101 193 HD22 HYP 29 HD11 HYP 29 4.755 -4.585 -6.441 194 HD23 HYP 29 HD12 HYP 29 6.494 -4.777 -6.124 195 HD1 HYP 29 HD2 HYP 29 3.645 -5.988 -6.247 196 H ASN 30 HN ASN 30 7.246 -4.483 -1.381 197 HA ASN 30 HA ASN 30 9.891 -4.768 -2.460 198 HB2 ASN 30 HB2 ASN 30 9.268 -2.501 -3.227 199 HB3 ASN 30 HB1 ASN 30 8.827 -2.069 -1.579 200 HD21 ASN 30 HD21 ASN 30 10.456 -1.663 -0.077 201 HD22 ASN 30 HD22 ASN 30 12.096 -1.428 -0.533 202 H GLN 31 HN GLN 31 10.911 -5.697 -0.859 203 HA GLN 31 HA GLN 31 10.019 -5.251 1.887 204 HB2 GLN 31 HB2 GLN 31 11.815 -7.385 0.711 205 HB3 GLN 31 HB1 GLN 31 11.346 -7.278 2.400 206 HG2 GLN 31 HG2 GLN 31 9.015 -7.630 1.780 207 HG3 GLN 31 HG1 GLN 31 9.476 -7.711 0.082 208 HE21 GLN 31 HE21 GLN 31 10.545 -9.534 -0.675 209 HE22 GLN 31 HE22 GLN 31 10.611 -10.993 0.234 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -12.542 -6.445 -2.288 2 H2 GLY 1 HT2 GLY 1 -13.097 -6.530 -3.894 3 H3 GLY 1 HT3 GLY 1 -12.476 -5.088 -3.269 4 HA2 GLY 1 HA1 GLY 1 -10.892 -7.533 -3.614 5 HA3 GLY 1 HA2 GLY 1 -10.871 -6.140 -4.691 6 H CYS 2 HN CYS 2 -8.585 -6.092 -4.109 7 HA CYS 2 HA CYS 2 -7.953 -5.233 -1.405 8 HB2 CYS 2 HB2 CYS 2 -5.597 -5.345 -2.330 9 HB3 CYS 2 HB1 CYS 2 -6.482 -6.867 -2.273 10 H ILE 3 HN ILE 3 -6.364 -3.384 -1.208 11 HA ILE 3 HA ILE 3 -7.410 -1.095 -2.573 12 HB ILE 3 HB ILE 3 -5.002 -1.270 -0.713 13 HG12 ILE 3 HG12 ILE 3 -7.853 -0.495 -0.093 14 HG13 ILE 3 HG11 ILE 3 -7.097 -2.019 0.359 15 HG21 ILE 3 HG21 ILE 3 -6.628 1.093 -1.646 16 HG22 ILE 3 HG22 ILE 3 -4.955 0.721 -2.074 17 HG23 ILE 3 HG23 ILE 3 -5.368 1.148 -0.414 18 HD11 ILE 3 HD11 ILE 3 -5.514 -0.821 1.775 19 HD12 ILE 3 HD12 ILE 3 -7.181 -0.475 2.237 20 HD13 ILE 3 HD13 ILE 3 -6.258 0.711 1.312 21 H ALA 4 HN ALA 4 -6.783 -0.497 -4.455 22 HA ALA 4 HA ALA 4 -4.755 -1.754 -5.945 23 HB1 ALA 4 HB1 ALA 4 -6.726 -0.735 -6.980 24 HB2 ALA 4 HB2 ALA 4 -5.234 -0.081 -7.657 25 HB3 ALA 4 HB3 ALA 4 -6.156 0.861 -6.489 26 H THR 5 HN THR 5 -2.828 -0.759 -6.853 27 HA THR 5 HA THR 5 -1.561 0.616 -4.740 28 HB THR 5 HB THR 5 0.508 0.357 -5.984 29 HG1 THR 5 HG1 THR 5 0.136 0.135 -8.096 30 HG21 THR 5 HG21 THR 5 -0.196 -1.324 -4.431 31 HG22 THR 5 HG22 THR 5 0.604 -2.087 -5.802 32 HG23 THR 5 HG23 THR 5 -1.156 -2.122 -5.676 33 H GLY 6 HN GLY 6 -0.728 2.589 -4.682 34 HA2 GLY 6 HA2 GLY 6 -0.489 4.796 -5.468 35 HA3 GLY 6 HA1 GLY 6 -1.548 4.404 -6.821 36 H SER 7 HN SER 7 -3.198 2.986 -4.498 37 HA SER 7 HA SER 7 -4.866 5.308 -3.989 38 HB2 SER 7 HB2 SER 7 -5.284 2.381 -3.359 39 HB3 SER 7 HB1 SER 7 -6.500 3.644 -3.211 40 HG SER 7 HG SER 7 -5.208 3.296 -5.669 41 H PHE 8 HN PHE 8 -5.654 5.682 -1.794 42 HA PHE 8 HA PHE 8 -3.533 5.831 0.093 43 HB2 PHE 8 HB2 PHE 8 -5.282 7.554 -0.076 44 HB3 PHE 8 HB1 PHE 8 -6.491 6.382 0.424 45 HD1 PHE 8 HD1 PHE 8 -6.751 5.792 2.732 46 HD2 PHE 8 HD2 PHE 8 -3.649 8.426 1.525 47 HE1 PHE 8 HE1 PHE 8 -6.391 6.434 5.079 48 HE2 PHE 8 HE2 PHE 8 -3.281 9.069 3.872 49 HZ PHE 8 HZ PHE 8 -4.649 8.077 5.647 50 H CYS 9 HN CYS 9 -3.026 4.553 1.723 51 HA CYS 9 HA CYS 9 -4.869 2.373 2.426 52 HB2 CYS 9 HB2 CYS 9 -2.863 0.923 2.672 53 HB3 CYS 9 HB1 CYS 9 -3.261 1.386 1.021 54 H THR 10 HN THR 10 -5.136 1.973 4.522 55 HA THR 10 HA THR 10 -3.053 2.860 6.353 56 HB THR 10 HB THR 10 -4.987 2.711 8.110 57 HG1 THR 10 HG1 THR 10 -6.447 1.868 6.348 58 HG21 THR 10 HG21 THR 10 -4.890 4.964 6.094 59 HG22 THR 10 HG22 THR 10 -3.855 4.798 7.512 60 HG23 THR 10 HG23 THR 10 -5.585 5.067 7.712 61 H LEU 11 HN LEU 11 -4.313 0.296 4.834 62 HA LEU 11 HA LEU 11 -3.393 -1.598 6.873 63 HB2 LEU 11 HB2 LEU 11 -5.686 -1.924 4.921 64 HB3 LEU 11 HB1 LEU 11 -5.065 -3.206 5.930 65 HG LEU 11 HG LEU 11 -6.437 -0.702 6.920 66 HD11 LEU 11 HD11 LEU 11 -8.255 -2.214 7.527 67 HD12 LEU 11 HD12 LEU 11 -7.388 -3.557 6.782 68 HD13 LEU 11 HD13 LEU 11 -7.963 -2.217 5.788 69 HD21 LEU 11 HD21 LEU 11 -6.427 -1.827 9.103 70 HD22 LEU 11 HD22 LEU 11 -4.795 -1.509 8.528 71 HD23 LEU 11 HD23 LEU 11 -5.463 -3.138 8.421 72 H SER 12 HN SER 12 -1.490 -2.382 6.102 73 HA SER 12 HA SER 12 -0.676 -2.109 3.448 74 HB2 SER 12 HB2 SER 12 1.194 -3.635 4.338 75 HB3 SER 12 HB1 SER 12 0.990 -2.033 5.057 76 HG SER 12 HG SER 12 1.147 -3.415 6.719 77 H LYS 13 HN LYS 13 -2.024 -4.798 5.221 78 HA LYS 13 HA LYS 13 -1.587 -6.644 3.059 79 HB2 LYS 13 HB2 LYS 13 -3.165 -6.869 5.621 80 HB3 LYS 13 HB1 LYS 13 -3.089 -8.156 4.426 81 HG2 LYS 13 HG2 LYS 13 -1.479 -8.683 6.053 82 HG3 LYS 13 HG1 LYS 13 -0.675 -8.047 4.592 83 HD2 LYS 13 HD2 LYS 13 -0.367 -5.895 5.665 84 HD3 LYS 13 HD1 LYS 13 -1.171 -6.477 7.115 85 HE2 LYS 13 HE2 LYS 13 1.368 -7.653 5.989 86 HE3 LYS 13 HE1 LYS 13 1.321 -6.452 7.273 87 HZ1 LYS 13 HZ1 LYS 13 0.142 -9.182 7.409 88 HZ2 LYS 13 HZ2 LYS 13 0.060 -8.005 8.617 89 HZ3 LYS 13 HZ3 LYS 13 1.543 -8.654 8.191 90 H GLY 14 HN GLY 14 -3.631 -4.367 3.813 91 HA2 GLY 14 HA2 GLY 14 -6.007 -5.207 2.390 92 HA3 GLY 14 HA1 GLY 14 -5.648 -3.539 2.852 93 H CYS 15 HN CYS 15 -3.079 -3.493 1.635 94 HA CYS 15 HA CYS 15 -3.667 -2.668 -1.007 95 HB2 CYS 15 HB2 CYS 15 -1.045 -3.380 0.278 96 HB3 CYS 15 HB1 CYS 15 -1.214 -2.573 -1.274 97 H CYS 16 HN CYS 16 -3.405 -3.667 -2.913 98 HA CYS 16 HA CYS 16 -3.593 -6.413 -3.121 99 HB2 CYS 16 HB2 CYS 16 -2.540 -4.477 -5.182 100 HB3 CYS 16 HB1 CYS 16 -3.120 -6.110 -5.497 101 H THR 17 HN THR 17 -0.653 -4.351 -3.317 102 HA THR 17 HA THR 17 1.064 -6.563 -3.865 103 HB THR 17 HB THR 17 2.746 -4.704 -3.491 104 HG1 THR 17 HG1 THR 17 1.968 -2.738 -3.106 105 HG21 THR 17 HG21 THR 17 0.541 -4.428 -5.538 106 HG22 THR 17 HG22 THR 17 2.035 -5.356 -5.736 107 HG23 THR 17 HG23 THR 17 2.082 -3.593 -5.622 108 H LYS 18 HN LYS 18 -0.474 -5.684 -1.098 109 HA LYS 18 HA LYS 18 -0.241 -5.928 1.122 110 HB2 LYS 18 HB2 LYS 18 2.211 -7.633 0.604 111 HB3 LYS 18 HB1 LYS 18 1.145 -7.695 1.995 112 HG2 LYS 18 HG2 LYS 18 0.520 -8.556 -0.815 113 HG3 LYS 18 HG1 LYS 18 0.754 -9.610 0.580 114 HD2 LYS 18 HD2 LYS 18 -1.276 -8.674 1.591 115 HD3 LYS 18 HD1 LYS 18 -1.475 -7.608 0.198 116 HE2 LYS 18 HE2 LYS 18 -1.534 -10.626 0.166 117 HE3 LYS 18 HE1 LYS 18 -2.925 -9.559 -0.002 118 HZ1 LYS 18 HZ1 LYS 18 -2.273 -10.326 -2.158 119 HZ2 LYS 18 HZ2 LYS 18 -0.677 -9.899 -1.927 120 HZ3 LYS 18 HZ3 LYS 18 -1.835 -8.704 -2.097 121 H ASN 19 HN ASN 19 1.451 -3.946 -0.444 122 HA ASN 19 HA ASN 19 3.274 -3.190 1.737 123 HB2 ASN 19 HB2 ASN 19 4.615 -3.988 -0.130 124 HB3 ASN 19 HB1 ASN 19 3.737 -2.951 -1.246 125 HD21 ASN 19 HD21 ASN 19 5.703 -1.959 -1.910 126 HD22 ASN 19 HD22 ASN 19 6.496 -0.829 -0.886 127 H CYS 20 HN CYS 20 2.367 -1.530 2.705 128 HA CYS 20 HA CYS 20 1.073 0.542 1.100 129 HB2 CYS 20 HB2 CYS 20 -0.265 -0.338 2.947 130 HB3 CYS 20 HB1 CYS 20 1.028 0.019 4.097 131 H GLY 21 HN GLY 21 2.184 2.382 0.758 132 HA2 GLY 21 HA2 GLY 21 4.878 2.427 1.748 133 HA3 GLY 21 HA1 GLY 21 4.182 3.506 0.554 134 H TRP 22 HN TRP 22 5.864 4.350 2.498 135 HA TRP 22 HA TRP 22 4.855 5.427 4.816 136 HB2 TRP 22 HB2 TRP 22 6.682 7.063 4.535 137 HB3 TRP 22 HB1 TRP 22 7.275 5.445 4.445 138 HD1 TRP 22 HD1 TRP 22 7.623 4.610 1.642 139 HE1 TRP 22 HE1 TRP 22 8.567 6.066 -0.257 140 HE3 TRP 22 HE3 TRP 22 6.992 9.004 3.792 141 HZ2 TRP 22 HZ2 TRP 22 9.012 8.834 -0.748 142 HZ3 TRP 22 HZ3 TRP 22 7.694 11.137 2.598 143 HH2 TRP 22 HH2 TRP 22 8.688 11.003 0.369 144 H ASN 23 HN ASN 23 4.373 6.401 1.552 145 HA ASN 23 HA ASN 23 3.605 9.116 2.138 146 HB2 ASN 23 HB2 ASN 23 3.105 9.290 -0.237 147 HB3 ASN 23 HB1 ASN 23 4.672 8.526 -0.020 148 HD21 ASN 23 HD21 ASN 23 2.784 8.459 -2.250 149 HD22 ASN 23 HD22 ASN 23 2.468 6.794 -2.561 150 H PHE 24 HN PHE 24 2.198 6.233 2.676 151 HA PHE 24 HA PHE 24 0.219 5.572 3.378 152 HB2 PHE 24 HB2 PHE 24 -0.635 8.415 2.859 153 HB3 PHE 24 HB1 PHE 24 -1.776 7.183 3.376 154 HD1 PHE 24 HD1 PHE 24 1.099 9.231 4.360 155 HD2 PHE 24 HD2 PHE 24 -1.733 6.315 5.606 156 HE1 PHE 24 HE1 PHE 24 1.707 9.643 6.710 157 HE2 PHE 24 HE2 PHE 24 -1.134 6.724 7.950 158 HZ PHE 24 HZ PHE 24 0.590 8.393 8.506 159 H LYS 25 HN LYS 25 1.152 5.563 0.532 160 HA LYS 25 HA LYS 25 -1.411 4.584 -0.437 161 HB2 LYS 25 HB2 LYS 25 0.639 6.020 -2.129 162 HB3 LYS 25 HB1 LYS 25 -0.713 5.118 -2.799 163 HG2 LYS 25 HG2 LYS 25 -1.507 7.274 -2.865 164 HG3 LYS 25 HG1 LYS 25 -2.131 6.727 -1.321 165 HD2 LYS 25 HD2 LYS 25 -0.162 7.718 -0.204 166 HD3 LYS 25 HD1 LYS 25 0.349 8.374 -1.756 167 HE2 LYS 25 HE2 LYS 25 -1.748 9.641 -1.884 168 HE3 LYS 25 HE1 LYS 25 -2.215 8.990 -0.309 169 HZ1 LYS 25 HZ1 LYS 25 -0.195 10.017 0.616 170 HZ2 LYS 25 HZ2 LYS 25 -1.271 11.143 0.003 171 HZ3 LYS 25 HZ3 LYS 25 0.108 10.752 -0.873 172 H CYS 26 HN CYS 26 -1.370 2.740 -1.639 173 HA CYS 26 HA CYS 26 0.536 0.848 -0.801 174 HB2 CYS 26 HB2 CYS 26 -1.532 0.735 -2.953 175 HB3 CYS 26 HB1 CYS 26 -0.689 -0.698 -2.342 176 H ASN 27 HN ASN 27 2.310 0.030 -1.716 177 HA ASN 27 HA ASN 27 3.173 1.138 -4.294 178 HB2 ASN 27 HB2 ASN 27 4.671 0.899 -1.703 179 HB3 ASN 27 HB1 ASN 27 5.558 0.769 -3.212 180 HD21 ASN 27 HD21 ASN 27 3.767 2.902 -1.128 181 HD22 ASN 27 HD22 ASN 27 4.245 4.363 -1.900 182 HA HYP 28 HA HYP 28 3.942 -3.060 -5.541 183 HB2 HYP 28 HB1 HYP 28 5.125 -2.911 -7.518 184 HB3 HYP 28 HB2 HYP 28 6.511 -2.148 -6.729 185 HG HYP 28 HG HYP 28 5.493 -0.381 -7.983 186 HD22 HYP 28 HD11 HYP 28 4.176 0.762 -5.991 187 HD23 HYP 28 HD12 HYP 28 5.875 0.321 -5.694 188 HD1 HYP 28 HD2 HYP 28 3.186 -0.055 -7.507 189 HA HYP 29 HA HYP 29 6.742 -4.972 -2.729 190 HB2 HYP 29 HB1 HYP 29 6.194 -7.142 -3.118 191 HB3 HYP 29 HB2 HYP 29 7.372 -7.201 -4.434 192 HG HYP 29 HG HYP 29 5.418 -7.486 -5.693 193 HD22 HYP 29 HD11 HYP 29 4.579 -4.998 -6.124 194 HD23 HYP 29 HD12 HYP 29 6.289 -5.362 -6.484 195 HD1 HYP 29 HD2 HYP 29 4.204 -5.777 -3.900 196 H ASN 30 HN ASN 30 8.548 -3.686 -2.663 197 HA ASN 30 HA ASN 30 10.644 -4.217 -4.645 198 HB2 ASN 30 HB2 ASN 30 11.596 -2.025 -4.131 199 HB3 ASN 30 HB1 ASN 30 9.913 -1.852 -4.595 200 HD21 ASN 30 HD21 ASN 30 11.600 -0.042 -3.102 201 HD22 ASN 30 HD22 ASN 30 10.840 0.201 -1.575 202 H GLN 31 HN GLN 31 9.719 -4.853 -1.526 203 HA GLN 31 HA GLN 31 12.448 -5.167 -0.599 204 HB2 GLN 31 HB2 GLN 31 9.834 -5.454 0.898 205 HB3 GLN 31 HB1 GLN 31 11.429 -5.625 1.608 206 HG2 GLN 31 HG2 GLN 31 10.246 -3.121 0.422 207 HG3 GLN 31 HG1 GLN 31 10.517 -3.454 2.129 208 HE21 GLN 31 HE21 GLN 31 13.151 -4.692 1.580 209 HE22 GLN 31 HE22 GLN 31 14.206 -3.367 1.222 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -12.446 -6.340 -5.193 2 H2 GLY 1 HT2 GLY 1 -11.080 -5.335 -5.150 3 H3 GLY 1 HT3 GLY 1 -12.263 -5.181 -3.977 4 HA2 GLY 1 HA1 GLY 1 -11.764 -7.342 -3.108 5 HA3 GLY 1 HA2 GLY 1 -10.511 -7.509 -4.335 6 H CYS 2 HN CYS 2 -8.642 -6.270 -4.174 7 HA CYS 2 HA CYS 2 -8.052 -5.409 -1.447 8 HB2 CYS 2 HB2 CYS 2 -5.683 -5.548 -2.347 9 HB3 CYS 2 HB1 CYS 2 -6.573 -7.068 -2.260 10 H ILE 3 HN ILE 3 -6.451 -3.475 -1.331 11 HA ILE 3 HA ILE 3 -7.628 -1.311 -2.809 12 HB ILE 3 HB ILE 3 -5.220 -1.218 -0.940 13 HG12 ILE 3 HG12 ILE 3 -8.132 -0.646 -0.343 14 HG13 ILE 3 HG11 ILE 3 -7.264 -2.086 0.179 15 HG21 ILE 3 HG21 ILE 3 -5.757 1.178 -0.762 16 HG22 ILE 3 HG22 ILE 3 -7.058 0.969 -1.935 17 HG23 ILE 3 HG23 ILE 3 -5.381 0.712 -2.422 18 HD11 ILE 3 HD11 ILE 3 -5.784 -0.695 1.543 19 HD12 ILE 3 HD12 ILE 3 -7.475 -0.458 1.984 20 HD13 ILE 3 HD13 ILE 3 -6.641 0.746 1.003 21 H ALA 4 HN ALA 4 -6.983 -0.584 -4.672 22 HA ALA 4 HA ALA 4 -4.970 -1.818 -6.194 23 HB1 ALA 4 HB1 ALA 4 -5.462 -0.125 -7.880 24 HB2 ALA 4 HB2 ALA 4 -6.340 0.827 -6.687 25 HB3 ALA 4 HB3 ALA 4 -6.957 -0.750 -7.182 26 H THR 5 HN THR 5 -3.050 -0.814 -7.108 27 HA THR 5 HA THR 5 -1.641 0.431 -4.992 28 HB THR 5 HB THR 5 0.311 0.276 -6.330 29 HG1 THR 5 HG1 THR 5 -1.259 -0.967 -8.379 30 HG21 THR 5 HG21 THR 5 -0.358 -1.694 -5.158 31 HG22 THR 5 HG22 THR 5 0.341 -2.170 -6.707 32 HG23 THR 5 HG23 THR 5 -1.409 -2.181 -6.485 33 H GLY 6 HN GLY 6 -0.644 2.437 -5.004 34 HA2 GLY 6 HA2 GLY 6 -0.398 4.648 -5.677 35 HA3 GLY 6 HA1 GLY 6 -1.523 4.351 -7.001 36 H SER 7 HN SER 7 -3.285 2.982 -4.862 37 HA SER 7 HA SER 7 -4.799 5.362 -4.303 38 HB2 SER 7 HB2 SER 7 -5.405 2.470 -3.665 39 HB3 SER 7 HB1 SER 7 -6.547 3.817 -3.634 40 HG SER 7 HG SER 7 -5.185 3.521 -6.011 41 H PHE 8 HN PHE 8 -5.735 5.649 -2.103 42 HA PHE 8 HA PHE 8 -3.656 5.844 -0.171 43 HB2 PHE 8 HB2 PHE 8 -5.430 7.545 -0.383 44 HB3 PHE 8 HB1 PHE 8 -6.631 6.357 0.088 45 HD1 PHE 8 HD1 PHE 8 -3.646 8.183 1.309 46 HD2 PHE 8 HD2 PHE 8 -7.147 6.012 2.367 47 HE1 PHE 8 HE1 PHE 8 -3.336 8.835 3.651 48 HE2 PHE 8 HE2 PHE 8 -6.828 6.662 4.725 49 HZ PHE 8 HZ PHE 8 -4.927 8.074 5.364 50 H CYS 9 HN CYS 9 -3.188 4.586 1.498 51 HA CYS 9 HA CYS 9 -5.098 2.553 2.382 52 HB2 CYS 9 HB2 CYS 9 -3.233 0.927 2.532 53 HB3 CYS 9 HB1 CYS 9 -3.633 1.380 0.877 54 H THR 10 HN THR 10 -4.823 1.955 4.534 55 HA THR 10 HA THR 10 -2.938 3.612 6.010 56 HB THR 10 HB THR 10 -4.465 2.946 7.994 57 HG1 THR 10 HG1 THR 10 -6.327 2.051 7.529 58 HG21 THR 10 HG21 THR 10 -5.439 4.809 5.816 59 HG22 THR 10 HG22 THR 10 -4.318 5.223 7.111 60 HG23 THR 10 HG23 THR 10 -5.995 4.825 7.489 61 H LEU 11 HN LEU 11 -4.070 0.310 5.540 62 HA LEU 11 HA LEU 11 -1.781 -0.593 7.124 63 HB2 LEU 11 HB2 LEU 11 -4.484 -1.912 6.856 64 HB3 LEU 11 HB1 LEU 11 -3.112 -2.600 7.697 65 HG LEU 11 HG LEU 11 -4.574 -0.079 8.501 66 HD11 LEU 11 HD11 LEU 11 -5.896 -2.097 8.864 67 HD12 LEU 11 HD12 LEU 11 -5.379 -1.371 10.384 68 HD13 LEU 11 HD13 LEU 11 -4.560 -2.808 9.774 69 HD21 LEU 11 HD21 LEU 11 -3.231 -0.217 10.552 70 HD22 LEU 11 HD22 LEU 11 -2.224 0.022 9.127 71 HD23 LEU 11 HD23 LEU 11 -2.336 -1.574 9.871 72 H SER 12 HN SER 12 -0.484 -2.080 6.208 73 HA SER 12 HA SER 12 -0.268 -2.082 3.476 74 HB2 SER 12 HB2 SER 12 1.508 -3.843 3.995 75 HB3 SER 12 HB1 SER 12 1.683 -2.235 4.702 76 HG SER 12 HG SER 12 1.995 -4.094 6.101 77 H LYS 13 HN LYS 13 -1.602 -4.633 5.516 78 HA LYS 13 HA LYS 13 -1.564 -6.600 3.509 79 HB2 LYS 13 HB2 LYS 13 -2.791 -8.011 4.927 80 HB3 LYS 13 HB1 LYS 13 -1.819 -7.023 5.990 81 HG2 LYS 13 HG2 LYS 13 -4.762 -6.651 5.432 82 HG3 LYS 13 HG1 LYS 13 -4.073 -7.417 6.857 83 HD2 LYS 13 HD2 LYS 13 -2.984 -5.249 7.411 84 HD3 LYS 13 HD1 LYS 13 -3.803 -4.533 6.023 85 HE2 LYS 13 HE2 LYS 13 -5.156 -5.826 8.388 86 HE3 LYS 13 HE1 LYS 13 -4.998 -4.093 8.116 87 HZ1 LYS 13 HZ1 LYS 13 -7.169 -4.882 7.455 88 HZ2 LYS 13 HZ2 LYS 13 -6.519 -5.990 6.390 89 HZ3 LYS 13 HZ3 LYS 13 -6.355 -4.354 6.091 90 H GLY 14 HN GLY 14 -3.572 -3.911 3.758 91 HA2 GLY 14 HA2 GLY 14 -5.895 -5.085 2.505 92 HA3 GLY 14 HA1 GLY 14 -5.639 -3.379 2.843 93 H CYS 15 HN CYS 15 -2.960 -3.632 1.507 94 HA CYS 15 HA CYS 15 -3.827 -2.733 -1.057 95 HB2 CYS 15 HB2 CYS 15 -1.099 -3.309 0.044 96 HB3 CYS 15 HB1 CYS 15 -1.394 -2.555 -1.521 97 H CYS 16 HN CYS 16 -3.477 -3.649 -3.065 98 HA CYS 16 HA CYS 16 -3.620 -6.438 -3.297 99 HB2 CYS 16 HB2 CYS 16 -2.847 -4.388 -5.367 100 HB3 CYS 16 HB1 CYS 16 -3.274 -6.062 -5.714 101 H THR 17 HN THR 17 -0.818 -4.246 -3.344 102 HA THR 17 HA THR 17 0.958 -6.364 -4.053 103 HB THR 17 HB THR 17 2.604 -4.494 -3.484 104 HG1 THR 17 HG1 THR 17 1.757 -2.512 -3.186 105 HG21 THR 17 HG21 THR 17 2.061 -5.077 -5.771 106 HG22 THR 17 HG22 THR 17 2.022 -3.306 -5.604 107 HG23 THR 17 HG23 THR 17 0.524 -4.222 -5.643 108 H LYS 18 HN LYS 18 -0.641 -5.577 -1.260 109 HA LYS 18 HA LYS 18 -0.395 -5.842 0.969 110 HB2 LYS 18 HB2 LYS 18 1.900 -7.663 0.175 111 HB3 LYS 18 HB1 LYS 18 1.175 -7.597 1.774 112 HG2 LYS 18 HG2 LYS 18 -0.247 -8.413 -0.754 113 HG3 LYS 18 HG1 LYS 18 0.387 -9.519 0.465 114 HD2 LYS 18 HD2 LYS 18 -1.108 -8.512 2.129 115 HD3 LYS 18 HD1 LYS 18 -1.741 -7.426 0.898 116 HE2 LYS 18 HE2 LYS 18 -2.606 -9.282 -0.371 117 HE3 LYS 18 HE1 LYS 18 -1.885 -10.431 0.756 118 HZ1 LYS 18 HZ1 LYS 18 -3.979 -8.445 1.477 119 HZ2 LYS 18 HZ2 LYS 18 -3.331 -9.649 2.472 120 HZ3 LYS 18 HZ3 LYS 18 -4.253 -10.076 1.139 121 H ASN 19 HN ASN 19 1.300 -3.904 -0.633 122 HA ASN 19 HA ASN 19 3.214 -3.236 1.473 123 HB2 ASN 19 HB2 ASN 19 4.368 -4.046 -0.544 124 HB3 ASN 19 HB1 ASN 19 3.526 -2.844 -1.514 125 HD21 ASN 19 HD21 ASN 19 5.486 -1.907 -2.185 126 HD22 ASN 19 HD22 ASN 19 6.447 -0.981 -1.099 127 H CYS 20 HN CYS 20 2.658 -1.450 2.430 128 HA CYS 20 HA CYS 20 1.356 0.721 0.949 129 HB2 CYS 20 HB2 CYS 20 -0.338 -0.454 2.310 130 HB3 CYS 20 HB1 CYS 20 0.687 -0.292 3.735 131 H GLY 21 HN GLY 21 2.688 2.407 1.036 132 HA2 GLY 21 HA2 GLY 21 5.010 2.291 2.802 133 HA3 GLY 21 HA1 GLY 21 4.720 3.410 1.487 134 H TRP 22 HN TRP 22 5.830 4.536 3.490 135 HA TRP 22 HA TRP 22 4.119 5.481 5.518 136 HB2 TRP 22 HB2 TRP 22 5.957 7.177 5.821 137 HB3 TRP 22 HB1 TRP 22 6.454 5.499 5.967 138 HD1 TRP 22 HD1 TRP 22 6.140 7.449 2.624 139 HE1 TRP 22 HE1 TRP 22 8.464 7.552 1.517 140 HE3 TRP 22 HE3 TRP 22 8.891 5.295 6.343 141 HZ2 TRP 22 HZ2 TRP 22 11.117 6.824 2.153 142 HZ3 TRP 22 HZ3 TRP 22 11.320 5.040 6.017 143 HH2 TRP 22 HH2 TRP 22 12.399 5.790 3.964 144 H ASN 23 HN ASN 23 4.207 6.076 2.316 145 HA ASN 23 HA ASN 23 3.383 8.845 2.274 146 HB2 ASN 23 HB2 ASN 23 3.201 8.490 -0.152 147 HB3 ASN 23 HB1 ASN 23 4.749 7.900 0.435 148 HD21 ASN 23 HD21 ASN 23 3.434 7.157 -2.006 149 HD22 ASN 23 HD22 ASN 23 3.138 5.456 -1.907 150 H PHE 24 HN PHE 24 2.026 5.912 2.996 151 HA PHE 24 HA PHE 24 0.001 5.090 3.331 152 HB2 PHE 24 HB2 PHE 24 -0.738 8.004 3.179 153 HB3 PHE 24 HB1 PHE 24 -1.956 6.762 3.439 154 HD1 PHE 24 HD1 PHE 24 -2.060 5.546 5.495 155 HD2 PHE 24 HD2 PHE 24 0.912 8.505 4.885 156 HE1 PHE 24 HE1 PHE 24 -1.583 5.552 7.924 157 HE2 PHE 24 HE2 PHE 24 1.405 8.532 7.301 158 HZ PHE 24 HZ PHE 24 0.153 7.048 8.826 159 H LYS 25 HN LYS 25 1.061 5.001 0.761 160 HA LYS 25 HA LYS 25 -1.434 4.604 -0.697 161 HB2 LYS 25 HB2 LYS 25 1.165 5.621 -1.788 162 HB3 LYS 25 HB1 LYS 25 -0.192 5.123 -2.793 163 HG2 LYS 25 HG2 LYS 25 -1.529 6.940 -1.825 164 HG3 LYS 25 HG1 LYS 25 -0.142 7.406 -0.832 165 HD2 LYS 25 HD2 LYS 25 1.163 7.816 -2.831 166 HD3 LYS 25 HD1 LYS 25 -0.209 7.355 -3.840 167 HE2 LYS 25 HE2 LYS 25 -1.500 9.228 -2.899 168 HE3 LYS 25 HE1 LYS 25 -0.105 9.679 -1.921 169 HZ1 LYS 25 HZ1 LYS 25 1.139 10.073 -3.913 170 HZ2 LYS 25 HZ2 LYS 25 -0.275 10.992 -3.955 171 HZ3 LYS 25 HZ3 LYS 25 -0.145 9.577 -4.871 172 H CYS 26 HN CYS 26 -1.450 2.767 -1.951 173 HA CYS 26 HA CYS 26 0.220 0.671 -1.037 174 HB2 CYS 26 HB2 CYS 26 -1.844 0.854 -3.199 175 HB3 CYS 26 HB1 CYS 26 -1.075 -0.676 -2.740 176 H ASN 27 HN ASN 27 2.139 0.306 -1.719 177 HA ASN 27 HA ASN 27 3.035 1.481 -4.258 178 HB2 ASN 27 HB2 ASN 27 4.582 0.776 -1.741 179 HB3 ASN 27 HB1 ASN 27 5.329 1.344 -3.221 180 HD21 ASN 27 HD21 ASN 27 5.360 2.478 -0.537 181 HD22 ASN 27 HD22 ASN 27 4.727 4.074 -0.660 182 HA HYP 28 HA HYP 28 3.856 -2.657 -5.731 183 HB2 HYP 28 HB1 HYP 28 4.448 -1.676 -7.775 184 HB3 HYP 28 HB2 HYP 28 6.049 -2.241 -7.276 185 HG HYP 28 HG HYP 28 6.677 -0.160 -6.500 186 HD22 HYP 28 HD11 HYP 28 3.833 0.847 -6.539 187 HD23 HYP 28 HD12 HYP 28 5.124 1.245 -5.390 188 HD1 HYP 28 HD2 HYP 28 6.366 1.135 -7.999 189 HA HYP 29 HA HYP 29 6.799 -4.263 -2.800 190 HB2 HYP 29 HB1 HYP 29 6.584 -6.520 -3.108 191 HB3 HYP 29 HB2 HYP 29 7.537 -6.443 -4.595 192 HG HYP 29 HG HYP 29 5.359 -7.006 -5.421 193 HD22 HYP 29 HD11 HYP 29 4.451 -4.617 -6.032 194 HD23 HYP 29 HD12 HYP 29 6.150 -4.937 -6.486 195 HD1 HYP 29 HD2 HYP 29 4.376 -5.065 -3.736 196 H ASN 30 HN ASN 30 8.647 -3.311 -2.543 197 HA ASN 30 HA ASN 30 10.678 -3.401 -4.670 198 HB2 ASN 30 HB2 ASN 30 9.799 -1.063 -3.017 199 HB3 ASN 30 HB1 ASN 30 11.486 -1.177 -3.475 200 HD21 ASN 30 HD21 ASN 30 8.965 -2.324 -5.598 201 HD22 ASN 30 HD22 ASN 30 9.108 -1.069 -6.766 202 H GLN 31 HN GLN 31 10.208 -2.704 -1.249 203 HA GLN 31 HA GLN 31 12.560 -4.323 -0.674 204 HB2 GLN 31 HB2 GLN 31 11.718 -1.717 0.597 205 HB3 GLN 31 HB1 GLN 31 12.955 -2.780 1.255 206 HG2 GLN 31 HG2 GLN 31 13.071 -1.488 -1.457 207 HG3 GLN 31 HG1 GLN 31 13.837 -0.847 -0.004 208 HE21 GLN 31 HE21 GLN 31 13.898 -3.387 -2.385 209 HE22 GLN 31 HE22 GLN 31 15.480 -3.944 -2.014 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -12.423 -8.233 -2.676 2 H2 GLY 1 HT2 GLY 1 -11.892 -7.376 -1.312 3 H3 GLY 1 HT3 GLY 1 -10.982 -8.671 -1.897 4 HA2 GLY 1 HA1 GLY 1 -10.527 -7.466 -3.920 5 HA3 GLY 1 HA2 GLY 1 -11.457 -6.116 -3.270 6 H CYS 2 HN CYS 2 -8.987 -5.519 -3.944 7 HA CYS 2 HA CYS 2 -7.647 -5.266 -1.373 8 HB2 CYS 2 HB2 CYS 2 -5.472 -5.502 -2.541 9 HB3 CYS 2 HB1 CYS 2 -6.426 -6.979 -2.535 10 H ILE 3 HN ILE 3 -6.237 -3.413 -1.318 11 HA ILE 3 HA ILE 3 -7.377 -1.172 -2.685 12 HB ILE 3 HB ILE 3 -4.928 -1.269 -0.890 13 HG12 ILE 3 HG12 ILE 3 -7.783 -0.551 -0.207 14 HG13 ILE 3 HG11 ILE 3 -7.009 -2.073 0.217 15 HG21 ILE 3 HG21 ILE 3 -5.360 1.149 -0.611 16 HG22 ILE 3 HG22 ILE 3 -6.639 1.033 -1.826 17 HG23 ILE 3 HG23 ILE 3 -4.969 0.710 -2.274 18 HD11 ILE 3 HD11 ILE 3 -6.213 0.665 1.183 19 HD12 ILE 3 HD12 ILE 3 -5.380 -0.839 1.575 20 HD13 ILE 3 HD13 ILE 3 -7.037 -0.587 2.116 21 H ALA 4 HN ALA 4 -6.829 -0.604 -4.592 22 HA ALA 4 HA ALA 4 -4.772 -1.726 -6.118 23 HB1 ALA 4 HB1 ALA 4 -6.325 0.821 -6.580 24 HB2 ALA 4 HB2 ALA 4 -6.804 -0.794 -7.105 25 HB3 ALA 4 HB3 ALA 4 -5.367 -0.034 -7.787 26 H THR 5 HN THR 5 -2.767 -0.968 -6.691 27 HA THR 5 HA THR 5 -1.518 0.554 -4.741 28 HB THR 5 HB THR 5 0.458 0.350 -6.123 29 HG1 THR 5 HG1 THR 5 -0.340 0.248 -8.226 30 HG21 THR 5 HG21 THR 5 0.594 -2.113 -5.983 31 HG22 THR 5 HG22 THR 5 -1.151 -2.165 -5.717 32 HG23 THR 5 HG23 THR 5 -0.101 -1.374 -4.543 33 H GLY 6 HN GLY 6 -0.703 2.569 -4.730 34 HA2 GLY 6 HA2 GLY 6 -0.421 4.744 -5.587 35 HA3 GLY 6 HA1 GLY 6 -1.552 4.353 -6.882 36 H SER 7 HN SER 7 -3.266 3.044 -4.669 37 HA SER 7 HA SER 7 -4.696 5.479 -4.010 38 HB2 SER 7 HB2 SER 7 -5.493 2.579 -3.618 39 HB3 SER 7 HB1 SER 7 -6.544 3.982 -3.411 40 HG SER 7 HG SER 7 -5.385 2.980 -5.798 41 H PHE 8 HN PHE 8 -5.526 5.784 -1.825 42 HA PHE 8 HA PHE 8 -3.523 5.702 0.142 43 HB2 PHE 8 HB2 PHE 8 -5.139 7.482 0.080 44 HB3 PHE 8 HB1 PHE 8 -6.470 6.353 0.234 45 HD1 PHE 8 HD1 PHE 8 -3.449 7.519 2.086 46 HD2 PHE 8 HD2 PHE 8 -7.439 6.068 2.301 47 HE1 PHE 8 HE1 PHE 8 -3.457 7.896 4.512 48 HE2 PHE 8 HE2 PHE 8 -7.449 6.431 4.725 49 HZ PHE 8 HZ PHE 8 -5.452 7.349 5.836 50 H CYS 9 HN CYS 9 -3.163 4.412 1.849 51 HA CYS 9 HA CYS 9 -5.035 2.238 2.427 52 HB2 CYS 9 HB2 CYS 9 -2.983 0.788 2.763 53 HB3 CYS 9 HB1 CYS 9 -3.407 1.163 1.097 54 H THR 10 HN THR 10 -5.296 1.836 4.564 55 HA THR 10 HA THR 10 -3.506 3.212 6.404 56 HB THR 10 HB THR 10 -5.337 2.628 8.101 57 HG1 THR 10 HG1 THR 10 -7.301 2.097 7.345 58 HG21 THR 10 HG21 THR 10 -5.006 4.893 7.254 59 HG22 THR 10 HG22 THR 10 -6.725 4.550 7.452 60 HG23 THR 10 HG23 THR 10 -5.998 4.522 5.845 61 H LEU 11 HN LEU 11 -4.398 0.188 5.147 62 HA LEU 11 HA LEU 11 -2.838 -1.200 7.199 63 HB2 LEU 11 HB2 LEU 11 -5.228 -2.255 5.687 64 HB3 LEU 11 HB1 LEU 11 -4.284 -3.137 6.864 65 HG LEU 11 HG LEU 11 -6.031 -0.744 7.442 66 HD11 LEU 11 HD11 LEU 11 -7.316 -2.720 6.908 67 HD12 LEU 11 HD12 LEU 11 -7.426 -2.358 8.631 68 HD13 LEU 11 HD13 LEU 11 -6.382 -3.662 8.066 69 HD21 LEU 11 HD21 LEU 11 -4.423 -2.510 9.276 70 HD22 LEU 11 HD22 LEU 11 -5.599 -1.302 9.795 71 HD23 LEU 11 HD23 LEU 11 -4.137 -0.800 8.947 72 H SER 12 HN SER 12 -1.153 -2.286 6.357 73 HA SER 12 HA SER 12 -0.418 -2.110 3.672 74 HB2 SER 12 HB2 SER 12 1.305 -3.822 4.460 75 HB3 SER 12 HB1 SER 12 1.261 -2.281 5.325 76 HG SER 12 HG SER 12 1.182 -4.538 6.429 77 H LYS 13 HN LYS 13 -1.909 -4.539 5.569 78 HA LYS 13 HA LYS 13 -1.931 -6.863 4.058 79 HB2 LYS 13 HB2 LYS 13 -4.299 -5.761 5.533 80 HB3 LYS 13 HB1 LYS 13 -3.924 -7.442 5.227 81 HG2 LYS 13 HG2 LYS 13 -2.222 -7.466 6.840 82 HG3 LYS 13 HG1 LYS 13 -2.164 -5.698 6.930 83 HD2 LYS 13 HD2 LYS 13 -4.444 -5.679 7.678 84 HD3 LYS 13 HD1 LYS 13 -4.481 -7.439 7.724 85 HE2 LYS 13 HE2 LYS 13 -2.653 -5.664 9.372 86 HE3 LYS 13 HE1 LYS 13 -4.091 -6.474 9.974 87 HZ1 LYS 13 HZ1 LYS 13 -3.007 -8.610 9.497 88 HZ2 LYS 13 HZ2 LYS 13 -2.138 -7.663 10.577 89 HZ3 LYS 13 HZ3 LYS 13 -1.608 -7.791 9.001 90 H GLY 14 HN GLY 14 -4.034 -4.061 3.958 91 HA2 GLY 14 HA2 GLY 14 -6.007 -5.042 2.214 92 HA3 GLY 14 HA1 GLY 14 -5.708 -3.349 2.560 93 H CYS 15 HN CYS 15 -2.970 -3.489 1.491 94 HA CYS 15 HA CYS 15 -3.536 -2.661 -1.144 95 HB2 CYS 15 HB2 CYS 15 -0.911 -3.491 0.075 96 HB3 CYS 15 HB1 CYS 15 -1.098 -2.635 -1.449 97 H CYS 16 HN CYS 16 -3.280 -3.617 -3.126 98 HA CYS 16 HA CYS 16 -3.551 -6.393 -3.350 99 HB2 CYS 16 HB2 CYS 16 -2.577 -4.457 -5.463 100 HB3 CYS 16 HB1 CYS 16 -3.195 -6.077 -5.760 101 H THR 17 HN THR 17 -0.622 -4.357 -3.402 102 HA THR 17 HA THR 17 1.124 -6.595 -3.887 103 HB THR 17 HB THR 17 2.819 -4.771 -3.376 104 HG1 THR 17 HG1 THR 17 1.873 -2.634 -3.461 105 HG21 THR 17 HG21 THR 17 2.420 -3.619 -5.507 106 HG22 THR 17 HG22 THR 17 0.790 -4.297 -5.564 107 HG23 THR 17 HG23 THR 17 2.197 -5.360 -5.673 108 H LYS 18 HN LYS 18 -0.657 -5.619 -1.290 109 HA LYS 18 HA LYS 18 -0.525 -5.382 0.908 110 HB2 LYS 18 HB2 LYS 18 1.156 -7.841 0.467 111 HB3 LYS 18 HB1 LYS 18 0.648 -7.312 2.071 112 HG2 LYS 18 HG2 LYS 18 -1.692 -7.427 1.373 113 HG3 LYS 18 HG1 LYS 18 -1.185 -7.973 -0.222 114 HD2 LYS 18 HD2 LYS 18 -0.225 -9.961 0.747 115 HD3 LYS 18 HD1 LYS 18 -0.633 -9.388 2.364 116 HE2 LYS 18 HE2 LYS 18 -2.651 -9.938 0.183 117 HE3 LYS 18 HE1 LYS 18 -2.268 -11.074 1.467 118 HZ1 LYS 18 HZ1 LYS 18 -3.040 -9.425 3.079 119 HZ2 LYS 18 HZ2 LYS 18 -4.260 -9.820 2.014 120 HZ3 LYS 18 HZ3 LYS 18 -3.461 -8.353 1.851 121 H ASN 19 HN ASN 19 1.297 -3.825 -0.542 122 HA ASN 19 HA ASN 19 3.332 -3.284 1.485 123 HB2 ASN 19 HB2 ASN 19 4.355 -4.213 -0.524 124 HB3 ASN 19 HB1 ASN 19 3.507 -3.049 -1.527 125 HD21 ASN 19 HD21 ASN 19 5.389 -2.299 -2.405 126 HD22 ASN 19 HD22 ASN 19 6.530 -1.361 -1.577 127 H CYS 20 HN CYS 20 2.303 -1.667 2.506 128 HA CYS 20 HA CYS 20 1.167 0.561 0.977 129 HB2 CYS 20 HB2 CYS 20 -0.274 -0.463 2.673 130 HB3 CYS 20 HB1 CYS 20 0.952 -0.214 3.917 131 H GLY 21 HN GLY 21 2.323 2.475 0.923 132 HA2 GLY 21 HA2 GLY 21 4.929 2.259 2.197 133 HA3 GLY 21 HA1 GLY 21 4.524 3.291 0.842 134 H TRP 22 HN TRP 22 5.978 4.501 2.452 135 HA TRP 22 HA TRP 22 5.067 5.672 4.794 136 HB2 TRP 22 HB2 TRP 22 6.805 7.259 4.457 137 HB3 TRP 22 HB1 TRP 22 7.469 5.716 4.024 138 HD1 TRP 22 HD1 TRP 22 6.927 5.455 0.982 139 HE1 TRP 22 HE1 TRP 22 7.768 7.198 -0.711 140 HE3 TRP 22 HE3 TRP 22 7.617 9.272 4.152 141 HZ2 TRP 22 HZ2 TRP 22 8.638 9.909 -0.676 142 HZ3 TRP 22 HZ3 TRP 22 8.472 11.463 3.290 143 HH2 TRP 22 HH2 TRP 22 8.969 11.744 0.912 144 H ASN 23 HN ASN 23 4.237 6.298 1.537 145 HA ASN 23 HA ASN 23 3.335 9.018 1.935 146 HB2 ASN 23 HB2 ASN 23 2.778 8.935 -0.451 147 HB3 ASN 23 HB1 ASN 23 4.422 8.376 -0.174 148 HD21 ASN 23 HD21 ASN 23 2.639 7.883 -2.403 149 HD22 ASN 23 HD22 ASN 23 2.490 6.167 -2.547 150 H PHE 24 HN PHE 24 2.221 6.155 2.837 151 HA PHE 24 HA PHE 24 0.290 5.321 3.548 152 HB2 PHE 24 HB2 PHE 24 -0.782 8.108 3.030 153 HB3 PHE 24 HB1 PHE 24 -1.668 6.836 3.862 154 HD1 PHE 24 HD1 PHE 24 -0.889 6.044 6.063 155 HD2 PHE 24 HD2 PHE 24 0.899 9.374 4.122 156 HE1 PHE 24 HE1 PHE 24 0.110 6.741 8.188 157 HE2 PHE 24 HE2 PHE 24 1.907 10.080 6.250 158 HZ PHE 24 HZ PHE 24 1.515 8.757 8.291 159 H LYS 25 HN LYS 25 1.072 5.396 0.679 160 HA LYS 25 HA LYS 25 -1.510 4.508 -0.295 161 HB2 LYS 25 HB2 LYS 25 0.623 5.993 -1.828 162 HB3 LYS 25 HB1 LYS 25 -0.750 5.191 -2.582 163 HG2 LYS 25 HG2 LYS 25 -2.267 6.661 -1.330 164 HG3 LYS 25 HG1 LYS 25 -0.869 7.478 -0.630 165 HD2 LYS 25 HD2 LYS 25 -0.157 8.199 -2.782 166 HD3 LYS 25 HD1 LYS 25 -1.444 7.283 -3.576 167 HE2 LYS 25 HE2 LYS 25 -3.094 8.665 -2.294 168 HE3 LYS 25 HE1 LYS 25 -1.747 9.651 -1.732 169 HZ1 LYS 25 HZ1 LYS 25 -1.253 10.211 -4.036 170 HZ2 LYS 25 HZ2 LYS 25 -2.825 10.652 -3.623 171 HZ3 LYS 25 HZ3 LYS 25 -2.570 9.303 -4.572 172 H CYS 26 HN CYS 26 -1.394 2.750 -1.724 173 HA CYS 26 HA CYS 26 0.540 0.861 -0.881 174 HB2 CYS 26 HB2 CYS 26 -1.595 0.796 -2.975 175 HB3 CYS 26 HB1 CYS 26 -0.682 -0.649 -2.475 176 H ASN 27 HN ASN 27 2.337 0.240 -1.836 177 HA ASN 27 HA ASN 27 3.208 1.796 -4.166 178 HB2 ASN 27 HB2 ASN 27 4.709 0.499 -1.896 179 HB3 ASN 27 HB1 ASN 27 5.536 0.998 -3.362 180 HD21 ASN 27 HD21 ASN 27 5.857 1.917 -0.662 181 HD22 ASN 27 HD22 ASN 27 5.545 3.617 -0.674 182 HA HYP 28 HA HYP 28 4.013 -1.689 -6.846 183 HB2 HYP 28 HB1 HYP 28 6.042 -1.379 -7.984 184 HB3 HYP 28 HB2 HYP 28 6.927 -1.029 -6.494 185 HG HYP 28 HG HYP 28 6.608 1.132 -7.309 186 HD22 HYP 28 HD11 HYP 28 3.981 1.494 -6.345 187 HD23 HYP 28 HD12 HYP 28 5.449 1.621 -5.356 188 HD1 HYP 28 HD2 HYP 28 5.197 1.674 -8.637 189 HA HYP 29 HA HYP 29 5.280 -5.019 -4.342 190 HB2 HYP 29 HB1 HYP 29 4.903 -6.795 -5.726 191 HB3 HYP 29 HB2 HYP 29 6.583 -6.713 -6.269 192 HG HYP 29 HG HYP 29 5.585 -6.124 -8.279 193 HD22 HYP 29 HD11 HYP 29 4.983 -3.516 -8.020 194 HD23 HYP 29 HD12 HYP 29 6.661 -4.042 -7.759 195 HD1 HYP 29 HD2 HYP 29 3.540 -4.642 -7.421 196 H ASN 30 HN ASN 30 6.755 -4.551 -2.915 197 HA ASN 30 HA ASN 30 9.597 -4.449 -3.727 198 HB2 ASN 30 HB2 ASN 30 8.254 -3.119 -1.362 199 HB3 ASN 30 HB1 ASN 30 9.976 -3.068 -1.699 200 HD21 ASN 30 HD21 ASN 30 9.624 -2.748 -4.600 201 HD22 ASN 30 HD22 ASN 30 9.060 -1.139 -4.821 202 H GLN 31 HN GLN 31 7.345 -6.258 -2.132 203 HA GLN 31 HA GLN 31 9.216 -7.423 -0.234 204 HB2 GLN 31 HB2 GLN 31 6.271 -7.890 -0.728 205 HB3 GLN 31 HB1 GLN 31 7.222 -8.671 0.521 206 HG2 GLN 31 HG2 GLN 31 7.529 -6.614 1.687 207 HG3 GLN 31 HG1 GLN 31 6.857 -5.697 0.344 208 HE21 GLN 31 HE21 GLN 31 5.346 -4.806 1.702 209 HE22 GLN 31 HE22 GLN 31 3.950 -5.667 2.221 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -13.110 -5.688 -4.889 2 H2 GLY 1 HT2 GLY 1 -12.090 -4.374 -4.556 3 H3 GLY 1 HT3 GLY 1 -12.865 -5.168 -3.295 4 HA2 GLY 1 HA1 GLY 1 -11.593 -7.148 -3.720 5 HA3 GLY 1 HA2 GLY 1 -10.799 -6.317 -5.056 6 H CYS 2 HN CYS 2 -8.753 -6.084 -4.345 7 HA CYS 2 HA CYS 2 -8.242 -5.225 -1.630 8 HB2 CYS 2 HB2 CYS 2 -5.827 -5.532 -2.371 9 HB3 CYS 2 HB1 CYS 2 -6.825 -6.982 -2.363 10 H ILE 3 HN ILE 3 -6.444 -3.448 -1.394 11 HA ILE 3 HA ILE 3 -7.454 -1.172 -2.812 12 HB ILE 3 HB ILE 3 -5.124 -1.292 -0.846 13 HG12 ILE 3 HG12 ILE 3 -8.016 -0.548 -0.353 14 HG13 ILE 3 HG11 ILE 3 -7.278 -2.068 0.139 15 HG21 ILE 3 HG21 ILE 3 -5.096 0.694 -2.258 16 HG22 ILE 3 HG22 ILE 3 -5.536 1.127 -0.606 17 HG23 ILE 3 HG23 ILE 3 -6.778 1.029 -1.854 18 HD11 ILE 3 HD11 ILE 3 -7.451 -0.518 2.008 19 HD12 ILE 3 HD12 ILE 3 -6.502 0.676 1.120 20 HD13 ILE 3 HD13 ILE 3 -5.761 -0.844 1.621 21 H ALA 4 HN ALA 4 -6.779 -0.570 -4.659 22 HA ALA 4 HA ALA 4 -4.698 -1.820 -6.090 23 HB1 ALA 4 HB1 ALA 4 -6.629 -0.882 -7.212 24 HB2 ALA 4 HB2 ALA 4 -5.157 -0.118 -7.815 25 HB3 ALA 4 HB3 ALA 4 -6.188 0.730 -6.663 26 H THR 5 HN THR 5 -2.743 -0.944 -6.850 27 HA THR 5 HA THR 5 -1.458 0.541 -4.833 28 HB THR 5 HB THR 5 0.523 0.354 -6.135 29 HG1 THR 5 HG1 THR 5 -1.277 -0.078 -8.164 30 HG21 THR 5 HG21 THR 5 0.641 -2.105 -6.178 31 HG22 THR 5 HG22 THR 5 -1.109 -2.152 -5.945 32 HG23 THR 5 HG23 THR 5 -0.070 -1.446 -4.707 33 H GLY 6 HN GLY 6 -0.755 2.558 -4.805 34 HA2 GLY 6 HA2 GLY 6 -0.518 4.737 -5.700 35 HA3 GLY 6 HA1 GLY 6 -1.655 4.299 -6.981 36 H SER 7 HN SER 7 -3.278 2.970 -4.677 37 HA SER 7 HA SER 7 -4.803 5.361 -4.093 38 HB2 SER 7 HB2 SER 7 -5.407 2.448 -3.548 39 HB3 SER 7 HB1 SER 7 -6.533 3.791 -3.346 40 HG SER 7 HG SER 7 -5.260 3.366 -5.811 41 H PHE 8 HN PHE 8 -5.634 5.653 -1.904 42 HA PHE 8 HA PHE 8 -3.559 5.825 0.000 43 HB2 PHE 8 HB2 PHE 8 -5.364 7.485 -0.228 44 HB3 PHE 8 HB1 PHE 8 -6.534 6.278 0.259 45 HD1 PHE 8 HD1 PHE 8 -3.840 8.482 1.395 46 HD2 PHE 8 HD2 PHE 8 -6.814 5.689 2.588 47 HE1 PHE 8 HE1 PHE 8 -3.582 9.201 3.723 48 HE2 PHE 8 HE2 PHE 8 -6.550 6.405 4.924 49 HZ PHE 8 HZ PHE 8 -4.939 8.158 5.493 50 H CYS 9 HN CYS 9 -3.060 4.560 1.653 51 HA CYS 9 HA CYS 9 -4.906 2.451 2.501 52 HB2 CYS 9 HB2 CYS 9 -2.998 0.886 2.637 53 HB3 CYS 9 HB1 CYS 9 -3.376 1.374 0.988 54 H THR 10 HN THR 10 -4.709 1.865 4.641 55 HA THR 10 HA THR 10 -2.791 3.379 6.220 56 HB THR 10 HB THR 10 -4.357 2.847 8.149 57 HG1 THR 10 HG1 THR 10 -6.403 2.182 7.669 58 HG21 THR 10 HG21 THR 10 -4.310 5.071 7.108 59 HG22 THR 10 HG22 THR 10 -5.947 4.638 7.595 60 HG23 THR 10 HG23 THR 10 -5.474 4.532 5.899 61 H LEU 11 HN LEU 11 -4.134 0.236 5.450 62 HA LEU 11 HA LEU 11 -2.177 -1.022 7.225 63 HB2 LEU 11 HB2 LEU 11 -4.838 -2.077 6.277 64 HB3 LEU 11 HB1 LEU 11 -3.722 -2.928 7.325 65 HG LEU 11 HG LEU 11 -5.206 -0.387 8.022 66 HD11 LEU 11 HD11 LEU 11 -5.593 -3.215 8.978 67 HD12 LEU 11 HD12 LEU 11 -6.680 -2.305 7.927 68 HD13 LEU 11 HD13 LEU 11 -6.433 -1.793 9.595 69 HD21 LEU 11 HD21 LEU 11 -3.387 -2.112 9.706 70 HD22 LEU 11 HD22 LEU 11 -4.344 -0.752 10.293 71 HD23 LEU 11 HD23 LEU 11 -3.039 -0.476 9.141 72 H SER 12 HN SER 12 -0.787 -2.413 6.338 73 HA SER 12 HA SER 12 -0.202 -2.332 3.645 74 HB2 SER 12 HB2 SER 12 1.344 -4.274 4.383 75 HB3 SER 12 HB1 SER 12 1.556 -2.666 5.085 76 HG SER 12 HG SER 12 0.901 -4.985 6.288 77 H LYS 13 HN LYS 13 -1.733 -4.962 5.479 78 HA LYS 13 HA LYS 13 -1.819 -6.671 3.270 79 HB2 LYS 13 HB2 LYS 13 -3.256 -8.165 4.542 80 HB3 LYS 13 HB1 LYS 13 -1.871 -7.666 5.474 81 HG2 LYS 13 HG2 LYS 13 -4.638 -6.503 5.809 82 HG3 LYS 13 HG1 LYS 13 -4.041 -7.878 6.724 83 HD2 LYS 13 HD2 LYS 13 -2.183 -6.406 7.570 84 HD3 LYS 13 HD1 LYS 13 -2.978 -5.057 6.751 85 HE2 LYS 13 HE2 LYS 13 -4.958 -5.341 8.100 86 HE3 LYS 13 HE1 LYS 13 -4.248 -6.752 8.881 87 HZ1 LYS 13 HZ1 LYS 13 -4.036 -4.701 10.222 88 HZ2 LYS 13 HZ2 LYS 13 -3.053 -4.034 9.015 89 HZ3 LYS 13 HZ3 LYS 13 -2.563 -5.390 9.831 90 H GLY 14 HN GLY 14 -3.650 -3.967 3.733 91 HA2 GLY 14 HA2 GLY 14 -6.047 -4.925 2.450 92 HA3 GLY 14 HA1 GLY 14 -5.637 -3.246 2.787 93 H CYS 15 HN CYS 15 -3.027 -3.523 1.521 94 HA CYS 15 HA CYS 15 -3.717 -2.682 -1.109 95 HB2 CYS 15 HB2 CYS 15 -1.094 -3.423 0.114 96 HB3 CYS 15 HB1 CYS 15 -1.272 -2.614 -1.442 97 H CYS 16 HN CYS 16 -3.373 -3.690 -3.065 98 HA CYS 16 HA CYS 16 -3.597 -6.479 -3.179 99 HB2 CYS 16 HB2 CYS 16 -2.689 -4.587 -5.353 100 HB3 CYS 16 HB1 CYS 16 -3.249 -6.239 -5.598 101 H THR 17 HN THR 17 -0.712 -4.349 -3.444 102 HA THR 17 HA THR 17 1.083 -6.467 -4.034 103 HB THR 17 HB THR 17 2.688 -4.598 -3.381 104 HG1 THR 17 HG1 THR 17 1.787 -2.645 -3.032 105 HG21 THR 17 HG21 THR 17 2.162 -3.368 -5.473 106 HG22 THR 17 HG22 THR 17 0.635 -4.248 -5.570 107 HG23 THR 17 HG23 THR 17 2.164 -5.116 -5.699 108 H LYS 18 HN LYS 18 -0.559 -5.621 -1.281 109 HA LYS 18 HA LYS 18 -0.438 -6.007 0.933 110 HB2 LYS 18 HB2 LYS 18 1.938 -7.790 0.301 111 HB3 LYS 18 HB1 LYS 18 0.969 -7.836 1.761 112 HG2 LYS 18 HG2 LYS 18 -0.017 -8.521 -1.013 113 HG3 LYS 18 HG1 LYS 18 0.479 -9.688 0.205 114 HD2 LYS 18 HD2 LYS 18 -1.795 -7.723 0.543 115 HD3 LYS 18 HD1 LYS 18 -1.993 -9.387 0.007 116 HE2 LYS 18 HE2 LYS 18 -0.851 -8.503 2.661 117 HE3 LYS 18 HE1 LYS 18 -2.466 -9.152 2.394 118 HZ1 LYS 18 HZ1 LYS 18 -1.401 -11.233 1.623 119 HZ2 LYS 18 HZ2 LYS 18 -1.070 -10.857 3.220 120 HZ3 LYS 18 HZ3 LYS 18 0.110 -10.598 2.052 121 H ASN 19 HN ASN 19 1.349 -3.983 -0.512 122 HA ASN 19 HA ASN 19 3.087 -3.367 1.778 123 HB2 ASN 19 HB2 ASN 19 4.462 -4.131 -0.129 124 HB3 ASN 19 HB1 ASN 19 3.726 -2.904 -1.146 125 HD21 ASN 19 HD21 ASN 19 5.774 -1.967 -1.553 126 HD22 ASN 19 HD22 ASN 19 6.551 -0.991 -0.371 127 H CYS 20 HN CYS 20 2.476 -1.553 2.703 128 HA CYS 20 HA CYS 20 1.118 0.493 1.101 129 HB2 CYS 20 HB2 CYS 20 -0.255 -0.470 2.916 130 HB3 CYS 20 HB1 CYS 20 0.992 -0.068 4.092 131 H GLY 21 HN GLY 21 2.176 2.423 0.896 132 HA2 GLY 21 HA2 GLY 21 4.870 2.526 1.924 133 HA3 GLY 21 HA1 GLY 21 4.107 3.640 0.795 134 H TRP 22 HN TRP 22 5.715 4.665 2.785 135 HA TRP 22 HA TRP 22 4.189 5.395 5.054 136 HB2 TRP 22 HB2 TRP 22 6.030 6.807 5.596 137 HB3 TRP 22 HB1 TRP 22 6.697 5.257 5.205 138 HD1 TRP 22 HD1 TRP 22 7.415 5.421 2.228 139 HE1 TRP 22 HE1 TRP 22 8.927 7.267 1.264 140 HE3 TRP 22 HE3 TRP 22 6.923 8.739 5.934 141 HZ2 TRP 22 HZ2 TRP 22 9.821 9.857 2.041 142 HZ3 TRP 22 HZ3 TRP 22 8.141 10.931 5.816 143 HH2 TRP 22 HH2 TRP 22 9.561 11.450 3.891 144 H ASN 23 HN ASN 23 4.060 6.273 1.939 145 HA ASN 23 HA ASN 23 3.306 9.057 2.277 146 HB2 ASN 23 HB2 ASN 23 3.069 9.083 -0.135 147 HB3 ASN 23 HB1 ASN 23 4.616 8.372 0.294 148 HD21 ASN 23 HD21 ASN 23 3.150 8.115 -2.151 149 HD22 ASN 23 HD22 ASN 23 2.804 6.451 -2.416 150 H PHE 24 HN PHE 24 1.951 6.227 2.953 151 HA PHE 24 HA PHE 24 -0.104 5.522 3.426 152 HB2 PHE 24 HB2 PHE 24 -0.908 8.355 2.739 153 HB3 PHE 24 HB1 PHE 24 -2.023 7.157 3.374 154 HD1 PHE 24 HD1 PHE 24 0.941 9.214 4.135 155 HD2 PHE 24 HD2 PHE 24 -2.066 6.645 5.694 156 HE1 PHE 24 HE1 PHE 24 1.555 9.895 6.421 157 HE2 PHE 24 HE2 PHE 24 -1.460 7.315 7.979 158 HZ PHE 24 HZ PHE 24 0.351 8.941 8.349 159 H LYS 25 HN LYS 25 1.036 5.434 0.674 160 HA LYS 25 HA LYS 25 -1.486 4.735 -0.652 161 HB2 LYS 25 HB2 LYS 25 0.985 5.943 -1.863 162 HB3 LYS 25 HB1 LYS 25 -0.271 5.181 -2.830 163 HG2 LYS 25 HG2 LYS 25 -1.869 6.861 -2.066 164 HG3 LYS 25 HG1 LYS 25 -0.619 7.597 -1.058 165 HD2 LYS 25 HD2 LYS 25 0.706 8.106 -3.016 166 HD3 LYS 25 HD1 LYS 25 -0.470 7.303 -4.058 167 HE2 LYS 25 HE2 LYS 25 -2.150 8.950 -3.473 168 HE3 LYS 25 HE1 LYS 25 -1.041 9.715 -2.336 169 HZ1 LYS 25 HZ1 LYS 25 0.395 10.294 -4.202 170 HZ2 LYS 25 HZ2 LYS 25 -1.138 10.933 -4.390 171 HZ3 LYS 25 HZ3 LYS 25 -0.684 9.598 -5.298 172 H CYS 26 HN CYS 26 -1.430 2.839 -1.849 173 HA CYS 26 HA CYS 26 0.347 0.872 -0.853 174 HB2 CYS 26 HB2 CYS 26 -1.688 0.842 -3.045 175 HB3 CYS 26 HB1 CYS 26 -0.830 -0.625 -2.534 176 H ASN 27 HN ASN 27 2.215 0.203 -1.570 177 HA ASN 27 HA ASN 27 3.277 1.294 -4.102 178 HB2 ASN 27 HB2 ASN 27 4.641 0.710 -1.450 179 HB3 ASN 27 HB1 ASN 27 5.555 0.880 -2.931 180 HD21 ASN 27 HD21 ASN 27 2.760 2.876 -2.138 181 HD22 ASN 27 HD22 ASN 27 3.649 4.323 -1.894 182 HA HYP 28 HA HYP 28 4.049 -2.950 -5.490 183 HB2 HYP 28 HB1 HYP 28 5.641 -2.781 -7.162 184 HB3 HYP 28 HB2 HYP 28 6.871 -2.188 -6.042 185 HG HYP 28 HG HYP 28 6.351 -0.280 -7.341 186 HD22 HYP 28 HD11 HYP 28 4.643 0.894 -5.675 187 HD23 HYP 28 HD12 HYP 28 6.180 0.299 -5.012 188 HD1 HYP 28 HD2 HYP 28 4.005 0.237 -7.420 189 HA HYP 29 HA HYP 29 5.396 -5.141 -1.951 190 HB2 HYP 29 HB1 HYP 29 4.833 -7.170 -2.767 191 HB3 HYP 29 HB2 HYP 29 6.519 -7.350 -3.258 192 HG HYP 29 HG HYP 29 5.689 -7.379 -5.399 193 HD22 HYP 29 HD11 HYP 29 4.852 -4.859 -5.964 194 HD23 HYP 29 HD12 HYP 29 6.564 -5.161 -5.594 195 HD1 HYP 29 HD2 HYP 29 3.609 -6.145 -5.627 196 H ASN 30 HN ASN 30 7.157 -5.269 -0.681 197 HA ASN 30 HA ASN 30 9.793 -5.227 -1.931 198 HB2 ASN 30 HB2 ASN 30 9.249 -2.898 -1.338 199 HB3 ASN 30 HB1 ASN 30 8.926 -3.392 0.318 200 HD21 ASN 30 HD21 ASN 30 10.492 -2.103 1.188 201 HD22 ASN 30 HD22 ASN 30 12.172 -2.399 1.005 202 H GLN 31 HN GLN 31 8.358 -5.160 1.350 203 HA GLN 31 HA GLN 31 10.075 -7.418 2.044 204 HB2 GLN 31 HB2 GLN 31 8.572 -5.454 3.793 205 HB3 GLN 31 HB1 GLN 31 9.563 -6.779 4.393 206 HG2 GLN 31 HG2 GLN 31 11.535 -5.809 3.454 207 HG3 GLN 31 HG1 GLN 31 10.593 -4.560 2.649 208 HE21 GLN 31 HE21 GLN 31 11.682 -2.955 3.596 209 HE22 GLN 31 HE22 GLN 31 11.538 -2.515 5.262 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -12.465 -8.152 -3.625 2 H2 GLY 1 HT2 GLY 1 -12.276 -7.152 -2.262 3 H3 GLY 1 HT3 GLY 1 -11.157 -8.365 -2.566 4 HA2 GLY 1 HA1 GLY 1 -10.451 -7.241 -4.560 5 HA3 GLY 1 HA2 GLY 1 -11.643 -5.987 -4.228 6 H CYS 2 HN CYS 2 -8.523 -6.450 -4.149 7 HA CYS 2 HA CYS 2 -7.940 -5.428 -1.529 8 HB2 CYS 2 HB2 CYS 2 -5.587 -5.493 -2.483 9 HB3 CYS 2 HB1 CYS 2 -6.422 -7.041 -2.367 10 H ILE 3 HN ILE 3 -6.302 -3.532 -1.533 11 HA ILE 3 HA ILE 3 -7.515 -1.344 -2.973 12 HB ILE 3 HB ILE 3 -5.224 -1.340 -0.969 13 HG12 ILE 3 HG12 ILE 3 -8.159 -0.741 -0.555 14 HG13 ILE 3 HG11 ILE 3 -7.322 -2.179 0.010 15 HG21 ILE 3 HG21 ILE 3 -6.908 0.917 -2.054 16 HG22 ILE 3 HG22 ILE 3 -5.200 0.621 -2.386 17 HG23 ILE 3 HG23 ILE 3 -5.718 1.064 -0.760 18 HD11 ILE 3 HD11 ILE 3 -7.655 -0.578 1.807 19 HD12 ILE 3 HD12 ILE 3 -6.770 0.644 0.894 20 HD13 ILE 3 HD13 ILE 3 -5.938 -0.799 1.471 21 H ALA 4 HN ALA 4 -6.738 -0.636 -4.809 22 HA ALA 4 HA ALA 4 -4.558 -1.896 -6.095 23 HB1 ALA 4 HB1 ALA 4 -4.963 -0.323 -7.905 24 HB2 ALA 4 HB2 ALA 4 -6.018 0.620 -6.858 25 HB3 ALA 4 HB3 ALA 4 -6.475 -1.022 -7.322 26 H THR 5 HN THR 5 -2.579 -1.002 -6.721 27 HA THR 5 HA THR 5 -1.465 0.640 -4.750 28 HB THR 5 HB THR 5 0.582 0.518 -5.982 29 HG1 THR 5 HG1 THR 5 -0.350 0.543 -8.139 30 HG21 THR 5 HG21 THR 5 0.846 -1.928 -5.995 31 HG22 THR 5 HG22 THR 5 -0.907 -2.082 -5.842 32 HG23 THR 5 HG23 THR 5 0.029 -1.310 -4.564 33 H GLY 6 HN GLY 6 -0.823 2.722 -4.797 34 HA2 GLY 6 HA2 GLY 6 -0.743 4.899 -5.804 35 HA3 GLY 6 HA1 GLY 6 -1.899 4.335 -7.006 36 H SER 7 HN SER 7 -3.362 2.992 -4.664 37 HA SER 7 HA SER 7 -4.983 5.311 -4.034 38 HB2 SER 7 HB2 SER 7 -5.441 2.367 -3.559 39 HB3 SER 7 HB1 SER 7 -6.617 3.635 -3.221 40 HG SER 7 HG SER 7 -5.495 3.472 -5.785 41 H PHE 8 HN PHE 8 -5.832 5.513 -1.801 42 HA PHE 8 HA PHE 8 -3.696 5.787 0.041 43 HB2 PHE 8 HB2 PHE 8 -5.510 7.409 -0.100 44 HB3 PHE 8 HB1 PHE 8 -6.682 6.176 0.333 45 HD1 PHE 8 HD1 PHE 8 -7.095 5.629 2.614 46 HD2 PHE 8 HD2 PHE 8 -3.882 8.223 1.582 47 HE1 PHE 8 HE1 PHE 8 -6.846 6.254 4.975 48 HE2 PHE 8 HE2 PHE 8 -3.627 8.848 3.944 49 HZ PHE 8 HZ PHE 8 -5.110 7.864 5.646 50 H CYS 9 HN CYS 9 -3.089 4.537 1.679 51 HA CYS 9 HA CYS 9 -4.835 2.361 2.571 52 HB2 CYS 9 HB2 CYS 9 -2.945 0.845 2.660 53 HB3 CYS 9 HB1 CYS 9 -3.191 1.418 1.014 54 H THR 10 HN THR 10 -4.679 1.914 4.716 55 HA THR 10 HA THR 10 -2.660 3.342 6.248 56 HB THR 10 HB THR 10 -4.375 2.845 8.154 57 HG1 THR 10 HG1 THR 10 -6.069 1.824 7.413 58 HG21 THR 10 HG21 THR 10 -5.573 4.945 7.678 59 HG22 THR 10 HG22 THR 10 -4.993 4.896 6.012 60 HG23 THR 10 HG23 THR 10 -3.850 5.112 7.336 61 H LEU 11 HN LEU 11 -4.058 0.319 5.335 62 HA LEU 11 HA LEU 11 -2.357 -1.109 7.256 63 HB2 LEU 11 HB2 LEU 11 -4.966 -1.981 6.012 64 HB3 LEU 11 HB1 LEU 11 -3.974 -2.947 7.079 65 HG LEU 11 HG LEU 11 -5.383 -0.397 7.857 66 HD11 LEU 11 HD11 LEU 11 -6.010 -3.276 8.491 67 HD12 LEU 11 HD12 LEU 11 -6.947 -2.211 7.445 68 HD13 LEU 11 HD13 LEU 11 -6.830 -1.873 9.172 69 HD21 LEU 11 HD21 LEU 11 -4.761 -1.034 10.145 70 HD22 LEU 11 HD22 LEU 11 -3.345 -0.740 9.140 71 HD23 LEU 11 HD23 LEU 11 -3.836 -2.395 9.506 72 H SER 12 HN SER 12 -0.962 -2.604 6.444 73 HA SER 12 HA SER 12 -0.110 -2.583 3.811 74 HB2 SER 12 HB2 SER 12 1.145 -4.644 4.556 75 HB3 SER 12 HB1 SER 12 1.341 -3.225 5.593 76 HG SER 12 HG SER 12 0.822 -4.702 7.054 77 H LYS 13 HN LYS 13 -2.027 -4.983 5.519 78 HA LYS 13 HA LYS 13 -2.333 -6.807 3.434 79 HB2 LYS 13 HB2 LYS 13 -4.063 -7.906 4.709 80 HB3 LYS 13 HB1 LYS 13 -2.731 -7.477 5.749 81 HG2 LYS 13 HG2 LYS 13 -5.234 -5.807 5.582 82 HG3 LYS 13 HG1 LYS 13 -5.108 -7.198 6.648 83 HD2 LYS 13 HD2 LYS 13 -3.286 -4.773 6.732 84 HD3 LYS 13 HD1 LYS 13 -4.672 -5.036 7.772 85 HE2 LYS 13 HE2 LYS 13 -2.259 -6.856 7.636 86 HE3 LYS 13 HE1 LYS 13 -2.535 -5.625 8.857 87 HZ1 LYS 13 HZ1 LYS 13 -4.283 -7.992 8.385 88 HZ2 LYS 13 HZ2 LYS 13 -4.546 -6.830 9.542 89 HZ3 LYS 13 HZ3 LYS 13 -3.184 -7.817 9.637 90 H GLY 14 HN GLY 14 -3.746 -3.784 3.643 91 HA2 GLY 14 HA2 GLY 14 -6.202 -4.448 2.315 92 HA3 GLY 14 HA1 GLY 14 -5.544 -2.832 2.573 93 H CYS 15 HN CYS 15 -3.034 -3.319 1.432 94 HA CYS 15 HA CYS 15 -3.587 -2.586 -1.240 95 HB2 CYS 15 HB2 CYS 15 -1.023 -3.389 0.085 96 HB3 CYS 15 HB1 CYS 15 -1.165 -2.532 -1.450 97 H CYS 16 HN CYS 16 -3.368 -3.695 -3.140 98 HA CYS 16 HA CYS 16 -3.537 -6.486 -3.222 99 HB2 CYS 16 HB2 CYS 16 -2.608 -4.603 -5.402 100 HB3 CYS 16 HB1 CYS 16 -3.127 -6.267 -5.647 101 H THR 17 HN THR 17 -0.675 -4.322 -3.536 102 HA THR 17 HA THR 17 1.090 -6.490 -3.982 103 HB THR 17 HB THR 17 2.764 -4.644 -3.460 104 HG1 THR 17 HG1 THR 17 1.986 -2.634 -3.180 105 HG21 THR 17 HG21 THR 17 2.307 -3.519 -5.624 106 HG22 THR 17 HG22 THR 17 0.713 -4.269 -5.650 107 HG23 THR 17 HG23 THR 17 2.159 -5.272 -5.747 108 H LYS 18 HN LYS 18 -0.550 -5.452 -1.283 109 HA LYS 18 HA LYS 18 -0.419 -5.648 0.960 110 HB2 LYS 18 HB2 LYS 18 1.871 -7.555 0.395 111 HB3 LYS 18 HB1 LYS 18 1.100 -7.350 1.955 112 HG2 LYS 18 HG2 LYS 18 -0.229 -8.400 -0.540 113 HG3 LYS 18 HG1 LYS 18 0.369 -9.376 0.801 114 HD2 LYS 18 HD2 LYS 18 -1.209 -8.128 2.287 115 HD3 LYS 18 HD1 LYS 18 -1.895 -7.382 0.840 116 HE2 LYS 18 HE2 LYS 18 -1.805 -10.341 1.467 117 HE3 LYS 18 HE1 LYS 18 -3.225 -9.308 1.558 118 HZ1 LYS 18 HZ1 LYS 18 -3.088 -9.000 -0.868 119 HZ2 LYS 18 HZ2 LYS 18 -3.219 -10.603 -0.458 120 HZ3 LYS 18 HZ3 LYS 18 -1.730 -10.006 -0.929 121 H ASN 19 HN ASN 19 1.497 -3.873 -0.697 122 HA ASN 19 HA ASN 19 3.372 -3.226 1.482 123 HB2 ASN 19 HB2 ASN 19 4.438 -3.975 -0.648 124 HB3 ASN 19 HB1 ASN 19 3.663 -2.628 -1.471 125 HD21 ASN 19 HD21 ASN 19 5.599 -1.674 -2.073 126 HD22 ASN 19 HD22 ASN 19 6.654 -0.944 -0.923 127 H CYS 20 HN CYS 20 2.448 -1.684 2.616 128 HA CYS 20 HA CYS 20 1.166 0.549 1.218 129 HB2 CYS 20 HB2 CYS 20 -0.236 -0.639 2.867 130 HB3 CYS 20 HB1 CYS 20 0.982 -0.371 4.106 131 H GLY 21 HN GLY 21 2.446 2.277 0.999 132 HA2 GLY 21 HA2 GLY 21 5.003 2.341 2.364 133 HA3 GLY 21 HA1 GLY 21 4.442 3.387 1.078 134 H TRP 22 HN TRP 22 5.817 4.668 2.820 135 HA TRP 22 HA TRP 22 4.329 5.644 5.057 136 HB2 TRP 22 HB2 TRP 22 6.300 7.178 5.256 137 HB3 TRP 22 HB1 TRP 22 6.692 5.469 5.367 138 HD1 TRP 22 HD1 TRP 22 6.306 7.436 2.037 139 HE1 TRP 22 HE1 TRP 22 8.559 7.382 0.799 140 HE3 TRP 22 HE3 TRP 22 9.162 5.170 5.612 141 HZ2 TRP 22 HZ2 TRP 22 11.186 6.520 1.266 142 HZ3 TRP 22 HZ3 TRP 22 11.539 4.773 5.138 143 HH2 TRP 22 HH2 TRP 22 12.527 5.436 3.007 144 H ASN 23 HN ASN 23 4.049 6.101 1.925 145 HA ASN 23 HA ASN 23 3.493 8.962 1.931 146 HB2 ASN 23 HB2 ASN 23 3.238 8.670 -0.495 147 HB3 ASN 23 HB1 ASN 23 4.793 8.050 0.045 148 HD21 ASN 23 HD21 ASN 23 3.429 7.390 -2.369 149 HD22 ASN 23 HD22 ASN 23 3.120 5.685 -2.338 150 H PHE 24 HN PHE 24 2.044 6.275 2.907 151 HA PHE 24 HA PHE 24 -0.022 5.653 3.429 152 HB2 PHE 24 HB2 PHE 24 -0.711 8.468 2.588 153 HB3 PHE 24 HB1 PHE 24 -1.916 7.341 3.196 154 HD1 PHE 24 HD1 PHE 24 0.937 9.450 4.049 155 HD2 PHE 24 HD2 PHE 24 -1.909 6.653 5.514 156 HE1 PHE 24 HE1 PHE 24 1.498 10.095 6.359 157 HE2 PHE 24 HE2 PHE 24 -1.354 7.289 7.826 158 HZ PHE 24 HZ PHE 24 0.353 9.012 8.250 159 H LYS 25 HN LYS 25 1.088 5.285 0.711 160 HA LYS 25 HA LYS 25 -1.464 4.594 -0.513 161 HB2 LYS 25 HB2 LYS 25 0.944 5.754 -1.873 162 HB3 LYS 25 HB1 LYS 25 -0.356 4.945 -2.734 163 HG2 LYS 25 HG2 LYS 25 -1.931 6.616 -1.980 164 HG3 LYS 25 HG1 LYS 25 -0.667 7.398 -1.022 165 HD2 LYS 25 HD2 LYS 25 0.606 7.823 -3.025 166 HD3 LYS 25 HD1 LYS 25 -0.627 7.031 -4.008 167 HE2 LYS 25 HE2 LYS 25 -2.232 8.718 -3.420 168 HE3 LYS 25 HE1 LYS 25 -1.098 9.446 -2.281 169 HZ1 LYS 25 HZ1 LYS 25 -0.786 9.335 -5.238 170 HZ2 LYS 25 HZ2 LYS 25 0.381 9.846 -4.172 171 HZ3 LYS 25 HZ3 LYS 25 -1.054 10.724 -4.302 172 H CYS 26 HN CYS 26 -1.493 2.773 -1.673 173 HA CYS 26 HA CYS 26 0.285 0.711 -0.894 174 HB2 CYS 26 HB2 CYS 26 -1.853 0.881 -2.990 175 HB3 CYS 26 HB1 CYS 26 -1.036 -0.630 -2.561 176 H ASN 27 HN ASN 27 2.141 0.177 -1.802 177 HA ASN 27 HA ASN 27 2.837 1.387 -4.408 178 HB2 ASN 27 HB2 ASN 27 4.615 0.878 -2.010 179 HB3 ASN 27 HB1 ASN 27 5.170 1.490 -3.559 180 HD21 ASN 27 HD21 ASN 27 5.437 2.649 -0.931 181 HD22 ASN 27 HD22 ASN 27 4.636 4.174 -0.975 182 HA HYP 28 HA HYP 28 4.135 -2.872 -5.287 183 HB2 HYP 28 HB1 HYP 28 4.774 -2.768 -7.508 184 HB3 HYP 28 HB2 HYP 28 6.212 -1.837 -7.092 185 HG HYP 28 HG HYP 28 4.994 -0.214 -8.248 186 HD22 HYP 28 HD11 HYP 28 3.475 0.858 -6.304 187 HD23 HYP 28 HD12 HYP 28 5.238 0.800 -6.090 188 HD1 HYP 28 HD2 HYP 28 2.560 -0.365 -7.388 189 HA HYP 29 HA HYP 29 7.662 -2.824 -2.729 190 HB2 HYP 29 HB1 HYP 29 6.759 -4.611 -1.728 191 HB3 HYP 29 HB2 HYP 29 7.957 -5.572 -2.600 192 HG HYP 29 HG HYP 29 6.156 -6.527 -3.657 193 HD22 HYP 29 HD11 HYP 29 5.070 -4.652 -5.271 194 HD23 HYP 29 HD12 HYP 29 6.750 -5.179 -5.538 195 HD1 HYP 29 HD2 HYP 29 4.203 -5.614 -3.616 196 H ASN 30 HN ASN 30 9.751 -3.570 -2.260 197 HA ASN 30 HA ASN 30 11.354 -4.448 -4.552 198 HB2 ASN 30 HB2 ASN 30 13.279 -3.280 -3.473 199 HB3 ASN 30 HB1 ASN 30 11.987 -2.159 -3.865 200 HD21 ASN 30 HD21 ASN 30 10.823 -1.215 -2.189 201 HD22 ASN 30 HD22 ASN 30 11.371 -1.220 -0.554 202 H GLN 31 HN GLN 31 9.779 -5.603 -2.219 203 HA GLN 31 HA GLN 31 11.818 -7.168 -0.871 204 HB2 GLN 31 HB2 GLN 31 8.807 -7.199 -0.452 205 HB3 GLN 31 HB1 GLN 31 10.002 -7.982 0.561 206 HG2 GLN 31 HG2 GLN 31 9.472 -6.138 1.821 207 HG3 GLN 31 HG1 GLN 31 10.871 -5.545 0.935 208 HE21 GLN 31 HE21 GLN 31 7.439 -5.344 1.333 209 HE22 GLN 31 HE22 GLN 31 7.206 -3.878 0.461 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -11.976 -4.612 -3.766 2 H2 GLY 1 HT2 GLY 1 -12.437 -5.312 -2.318 3 H3 GLY 1 HT3 GLY 1 -13.023 -5.952 -3.770 4 HA2 GLY 1 HA1 GLY 1 -11.297 -7.336 -2.851 5 HA3 GLY 1 HA2 GLY 1 -10.758 -6.584 -4.351 6 H CYS 2 HN CYS 2 -8.586 -6.413 -3.935 7 HA CYS 2 HA CYS 2 -7.659 -5.385 -1.419 8 HB2 CYS 2 HB2 CYS 2 -5.426 -5.543 -2.526 9 HB3 CYS 2 HB1 CYS 2 -6.313 -7.058 -2.472 10 H ILE 3 HN ILE 3 -6.436 -3.443 -1.185 11 HA ILE 3 HA ILE 3 -7.623 -1.276 -2.544 12 HB ILE 3 HB ILE 3 -5.135 -1.190 -0.790 13 HG12 ILE 3 HG12 ILE 3 -8.036 -0.768 -0.008 14 HG13 ILE 3 HG11 ILE 3 -7.107 -2.218 0.351 15 HG21 ILE 3 HG21 ILE 3 -5.465 0.819 -2.152 16 HG22 ILE 3 HG22 ILE 3 -5.767 1.166 -0.450 17 HG23 ILE 3 HG23 ILE 3 -7.119 0.960 -1.561 18 HD11 ILE 3 HD11 ILE 3 -6.509 0.557 1.358 19 HD12 ILE 3 HD12 ILE 3 -5.592 -0.899 1.741 20 HD13 ILE 3 HD13 ILE 3 -7.263 -0.742 2.282 21 H ALA 4 HN ALA 4 -7.085 -0.355 -4.323 22 HA ALA 4 HA ALA 4 -5.229 -1.364 -6.134 23 HB1 ALA 4 HB1 ALA 4 -6.524 1.356 -6.103 24 HB2 ALA 4 HB2 ALA 4 -7.224 -0.110 -6.787 25 HB3 ALA 4 HB3 ALA 4 -5.764 0.585 -7.494 26 H THR 5 HN THR 5 -3.247 -0.663 -6.805 27 HA THR 5 HA THR 5 -1.805 0.649 -4.777 28 HB THR 5 HB THR 5 0.158 0.245 -6.161 29 HG1 THR 5 HG1 THR 5 -1.319 0.092 -8.211 30 HG21 THR 5 HG21 THR 5 0.094 -2.209 -5.877 31 HG22 THR 5 HG22 THR 5 -1.646 -2.101 -5.605 32 HG23 THR 5 HG23 THR 5 -0.526 -1.332 -4.480 33 H GLY 6 HN GLY 6 -0.805 2.536 -4.776 34 HA2 GLY 6 HA2 GLY 6 -0.299 4.666 -5.633 35 HA3 GLY 6 HA1 GLY 6 -1.464 4.403 -6.937 36 H SER 7 HN SER 7 -3.331 3.247 -4.865 37 HA SER 7 HA SER 7 -4.605 5.708 -4.161 38 HB2 SER 7 HB2 SER 7 -5.401 2.837 -3.681 39 HB3 SER 7 HB1 SER 7 -6.450 4.253 -3.553 40 HG SER 7 HG SER 7 -6.717 4.218 -5.560 41 H PHE 8 HN PHE 8 -5.471 5.920 -1.959 42 HA PHE 8 HA PHE 8 -3.441 5.940 -0.022 43 HB2 PHE 8 HB2 PHE 8 -5.197 7.594 0.002 44 HB3 PHE 8 HB1 PHE 8 -6.431 6.358 0.151 45 HD1 PHE 8 HD1 PHE 8 -3.564 7.892 1.955 46 HD2 PHE 8 HD2 PHE 8 -7.210 5.731 2.252 47 HE1 PHE 8 HE1 PHE 8 -3.525 8.170 4.397 48 HE2 PHE 8 HE2 PHE 8 -7.169 5.999 4.698 49 HZ PHE 8 HZ PHE 8 -5.328 7.219 5.768 50 H CYS 9 HN CYS 9 -2.893 4.544 1.526 51 HA CYS 9 HA CYS 9 -4.540 2.130 1.871 52 HB2 CYS 9 HB2 CYS 9 -2.434 0.994 2.516 53 HB3 CYS 9 HB1 CYS 9 -2.443 1.561 0.853 54 H THR 10 HN THR 10 -5.084 1.500 3.907 55 HA THR 10 HA THR 10 -4.281 3.204 6.110 56 HB THR 10 HB THR 10 -6.073 1.746 7.252 57 HG1 THR 10 HG1 THR 10 -7.531 1.104 5.216 58 HG21 THR 10 HG21 THR 10 -6.853 3.541 4.940 59 HG22 THR 10 HG22 THR 10 -6.426 4.083 6.554 60 HG23 THR 10 HG23 THR 10 -7.889 3.122 6.309 61 H LEU 11 HN LEU 11 -4.340 -0.142 5.024 62 HA LEU 11 HA LEU 11 -2.257 -0.825 6.965 63 HB2 LEU 11 HB2 LEU 11 -4.632 -2.527 6.188 64 HB3 LEU 11 HB1 LEU 11 -3.286 -3.064 7.167 65 HG LEU 11 HG LEU 11 -5.250 -0.910 7.953 66 HD11 LEU 11 HD11 LEU 11 -6.085 -2.567 9.546 67 HD12 LEU 11 HD12 LEU 11 -4.985 -3.769 8.874 68 HD13 LEU 11 HD13 LEU 11 -6.287 -3.113 7.882 69 HD21 LEU 11 HD21 LEU 11 -3.049 -0.574 8.957 70 HD22 LEU 11 HD22 LEU 11 -3.033 -2.249 9.508 71 HD23 LEU 11 HD23 LEU 11 -4.212 -1.116 10.168 72 H SER 12 HN SER 12 -0.768 -2.336 6.225 73 HA SER 12 HA SER 12 -0.043 -2.249 3.551 74 HB2 SER 12 HB2 SER 12 1.518 -4.100 4.310 75 HB3 SER 12 HB1 SER 12 1.595 -2.567 5.190 76 HG SER 12 HG SER 12 1.485 -4.011 6.738 77 H LYS 13 HN LYS 13 -1.312 -4.970 5.388 78 HA LYS 13 HA LYS 13 -1.522 -6.705 3.204 79 HB2 LYS 13 HB2 LYS 13 -2.767 -8.228 4.604 80 HB3 LYS 13 HB1 LYS 13 -1.421 -7.571 5.498 81 HG2 LYS 13 HG2 LYS 13 -4.276 -6.608 5.793 82 HG3 LYS 13 HG1 LYS 13 -3.568 -7.865 6.791 83 HD2 LYS 13 HD2 LYS 13 -2.615 -4.994 6.617 84 HD3 LYS 13 HD1 LYS 13 -3.600 -5.668 7.903 85 HE2 LYS 13 HE2 LYS 13 -0.785 -6.543 7.210 86 HE3 LYS 13 HE1 LYS 13 -1.233 -5.496 8.546 87 HZ1 LYS 13 HZ1 LYS 13 -2.057 -8.344 8.235 88 HZ2 LYS 13 HZ2 LYS 13 -2.471 -7.348 9.536 89 HZ3 LYS 13 HZ3 LYS 13 -0.867 -7.764 9.253 90 H GLY 14 HN GLY 14 -3.351 -4.022 3.680 91 HA2 GLY 14 HA2 GLY 14 -5.825 -5.088 2.614 92 HA3 GLY 14 HA1 GLY 14 -5.476 -3.392 2.958 93 H CYS 15 HN CYS 15 -2.905 -3.666 1.507 94 HA CYS 15 HA CYS 15 -3.870 -2.807 -1.056 95 HB2 CYS 15 HB2 CYS 15 -1.062 -3.253 -0.046 96 HB3 CYS 15 HB1 CYS 15 -1.504 -2.409 -1.524 97 H CYS 16 HN CYS 16 -3.431 -3.791 -3.049 98 HA CYS 16 HA CYS 16 -3.548 -6.561 -3.219 99 HB2 CYS 16 HB2 CYS 16 -2.439 -4.647 -5.272 100 HB3 CYS 16 HB1 CYS 16 -3.035 -6.273 -5.589 101 H THR 17 HN THR 17 -0.724 -4.405 -3.385 102 HA THR 17 HA THR 17 1.144 -6.476 -3.903 103 HB THR 17 HB THR 17 2.675 -4.505 -3.434 104 HG1 THR 17 HG1 THR 17 1.742 -2.630 -3.017 105 HG21 THR 17 HG21 THR 17 2.034 -3.407 -5.553 106 HG22 THR 17 HG22 THR 17 0.494 -4.270 -5.521 107 HG23 THR 17 HG23 THR 17 2.001 -5.165 -5.701 108 H LYS 18 HN LYS 18 -0.549 -5.706 -1.174 109 HA LYS 18 HA LYS 18 -0.384 -6.051 1.052 110 HB2 LYS 18 HB2 LYS 18 2.128 -7.625 0.419 111 HB3 LYS 18 HB1 LYS 18 1.159 -7.747 1.876 112 HG2 LYS 18 HG2 LYS 18 0.317 -8.543 -0.898 113 HG3 LYS 18 HG1 LYS 18 0.792 -9.639 0.396 114 HD2 LYS 18 HD2 LYS 18 -1.141 -8.882 1.715 115 HD3 LYS 18 HD1 LYS 18 -1.602 -7.796 0.399 116 HE2 LYS 18 HE2 LYS 18 -1.411 -10.802 0.233 117 HE3 LYS 18 HE1 LYS 18 -2.899 -9.863 0.322 118 HZ1 LYS 18 HZ1 LYS 18 -0.911 -9.708 -1.894 119 HZ2 LYS 18 HZ2 LYS 18 -2.360 -8.866 -1.813 120 HZ3 LYS 18 HZ3 LYS 18 -2.373 -10.535 -1.946 121 H ASN 19 HN ASN 19 1.189 -3.869 -0.349 122 HA ASN 19 HA ASN 19 2.962 -3.172 1.893 123 HB2 ASN 19 HB2 ASN 19 4.324 -3.958 0.030 124 HB3 ASN 19 HB1 ASN 19 3.552 -2.790 -1.034 125 HD21 ASN 19 HD21 ASN 19 5.541 -1.879 -1.499 126 HD22 ASN 19 HD22 ASN 19 6.369 -0.874 -0.390 127 H CYS 20 HN CYS 20 2.253 -1.519 2.852 128 HA CYS 20 HA CYS 20 0.871 0.614 1.389 129 HB2 CYS 20 HB2 CYS 20 -0.346 -0.281 3.342 130 HB3 CYS 20 HB1 CYS 20 1.060 -0.012 4.366 131 H GLY 21 HN GLY 21 2.039 2.433 1.033 132 HA2 GLY 21 HA2 GLY 21 4.769 2.385 1.917 133 HA3 GLY 21 HA1 GLY 21 4.054 3.527 0.790 134 H TRP 22 HN TRP 22 5.828 4.336 2.698 135 HA TRP 22 HA TRP 22 4.796 5.342 5.073 136 HB2 TRP 22 HB2 TRP 22 6.689 6.863 4.988 137 HB3 TRP 22 HB1 TRP 22 7.250 5.258 4.677 138 HD1 TRP 22 HD1 TRP 22 7.292 4.912 1.625 139 HE1 TRP 22 HE1 TRP 22 8.487 6.552 0.049 140 HE3 TRP 22 HE3 TRP 22 7.518 8.832 4.716 141 HZ2 TRP 22 HZ2 TRP 22 9.424 9.228 0.130 142 HZ3 TRP 22 HZ3 TRP 22 8.594 10.977 3.937 143 HH2 TRP 22 HH2 TRP 22 9.525 11.133 1.679 144 H ASN 23 HN ASN 23 4.250 6.275 1.892 145 HA ASN 23 HA ASN 23 3.444 9.004 2.484 146 HB2 ASN 23 HB2 ASN 23 3.222 9.222 0.065 147 HB3 ASN 23 HB1 ASN 23 4.795 8.555 0.473 148 HD21 ASN 23 HD21 ASN 23 3.492 8.415 -2.012 149 HD22 ASN 23 HD22 ASN 23 3.257 6.762 -2.422 150 H PHE 24 HN PHE 24 2.157 6.087 2.882 151 HA PHE 24 HA PHE 24 0.176 5.196 3.121 152 HB2 PHE 24 HB2 PHE 24 -0.614 8.082 3.268 153 HB3 PHE 24 HB1 PHE 24 -1.847 6.823 3.302 154 HD1 PHE 24 HD1 PHE 24 -2.024 5.289 5.159 155 HD2 PHE 24 HD2 PHE 24 0.932 8.357 5.117 156 HE1 PHE 24 HE1 PHE 24 -1.631 4.935 7.547 157 HE2 PHE 24 HE2 PHE 24 1.325 8.002 7.519 158 HZ PHE 24 HZ PHE 24 0.044 6.286 8.734 159 H LYS 25 HN LYS 25 1.211 5.298 0.553 160 HA LYS 25 HA LYS 25 -1.322 4.883 -0.868 161 HB2 LYS 25 HB2 LYS 25 1.369 5.683 -1.885 162 HB3 LYS 25 HB1 LYS 25 0.098 5.111 -2.964 163 HG2 LYS 25 HG2 LYS 25 -1.271 7.047 -2.313 164 HG3 LYS 25 HG1 LYS 25 0.023 7.583 -1.235 165 HD2 LYS 25 HD2 LYS 25 1.533 7.808 -3.133 166 HD3 LYS 25 HD1 LYS 25 0.270 7.232 -4.219 167 HE2 LYS 25 HE2 LYS 25 -1.075 9.167 -3.769 168 HE3 LYS 25 HE1 LYS 25 0.037 9.700 -2.511 169 HZ1 LYS 25 HZ1 LYS 25 0.359 10.908 -4.603 170 HZ2 LYS 25 HZ2 LYS 25 0.739 9.459 -5.392 171 HZ3 LYS 25 HZ3 LYS 25 1.724 10.037 -4.160 172 H CYS 26 HN CYS 26 -1.505 2.889 -1.860 173 HA CYS 26 HA CYS 26 0.152 0.809 -0.878 174 HB2 CYS 26 HB2 CYS 26 -1.957 0.916 -3.005 175 HB3 CYS 26 HB1 CYS 26 -1.173 -0.607 -2.538 176 H ASN 27 HN ASN 27 2.006 0.161 -1.629 177 HA ASN 27 HA ASN 27 2.904 1.203 -4.233 178 HB2 ASN 27 HB2 ASN 27 4.352 0.955 -1.601 179 HB3 ASN 27 HB1 ASN 27 5.204 1.275 -3.111 180 HD21 ASN 27 HD21 ASN 27 5.183 3.002 -0.874 181 HD22 ASN 27 HD22 ASN 27 4.376 4.468 -1.313 182 HA HYP 28 HA HYP 28 4.122 -2.880 -5.664 183 HB2 HYP 28 HB1 HYP 28 6.023 -2.674 -6.984 184 HB3 HYP 28 HB2 HYP 28 6.984 -2.037 -5.642 185 HG HYP 28 HG HYP 28 6.609 -0.142 -7.063 186 HD22 HYP 28 HD11 HYP 28 4.652 0.962 -5.667 187 HD23 HYP 28 HD12 HYP 28 6.070 0.373 -4.763 188 HD1 HYP 28 HD2 HYP 28 3.918 -0.321 -7.043 189 HA HYP 29 HA HYP 29 4.767 -5.034 -1.935 190 HB2 HYP 29 HB1 HYP 29 4.288 -7.055 -2.848 191 HB3 HYP 29 HB2 HYP 29 6.030 -7.306 -2.976 192 HG HYP 29 HG HYP 29 5.675 -7.310 -5.257 193 HD22 HYP 29 HD11 HYP 29 5.037 -4.775 -5.979 194 HD23 HYP 29 HD12 HYP 29 6.619 -5.120 -5.247 195 HD1 HYP 29 HD2 HYP 29 3.696 -6.031 -5.918 196 H ASN 30 HN ASN 30 6.184 -4.920 -0.364 197 HA ASN 30 HA ASN 30 9.040 -4.899 -1.008 198 HB2 ASN 30 HB2 ASN 30 8.322 -2.584 -0.599 199 HB3 ASN 30 HB1 ASN 30 7.621 -3.066 0.941 200 HD21 ASN 30 HD21 ASN 30 8.908 -1.722 2.131 201 HD22 ASN 30 HD22 ASN 30 10.601 -1.983 2.365 202 H GLN 31 HN GLN 31 9.555 -6.823 -0.252 203 HA GLN 31 HA GLN 31 8.632 -7.615 2.377 204 HB2 GLN 31 HB2 GLN 31 10.185 -9.096 0.237 205 HB3 GLN 31 HB1 GLN 31 9.922 -9.752 1.840 206 HG2 GLN 31 HG2 GLN 31 8.374 -10.760 0.309 207 HG3 GLN 31 HG1 GLN 31 7.480 -9.714 1.398 208 HE21 GLN 31 HE21 GLN 31 8.619 -10.159 -1.853 209 HE22 GLN 31 HE22 GLN 31 7.563 -9.029 -2.600 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -12.290 -6.499 -1.084 2 H2 GLY 1 HT2 GLY 1 -11.529 -7.971 -0.984 3 H3 GLY 1 HT3 GLY 1 -12.812 -7.767 -2.082 4 HA2 GLY 1 HA1 GLY 1 -10.686 -7.743 -3.227 5 HA3 GLY 1 HA2 GLY 1 -11.429 -6.146 -3.285 6 H CYS 2 HN CYS 2 -9.019 -5.700 -3.696 7 HA CYS 2 HA CYS 2 -7.764 -5.148 -1.113 8 HB2 CYS 2 HB2 CYS 2 -5.569 -5.473 -2.268 9 HB3 CYS 2 HB1 CYS 2 -6.510 -6.949 -2.115 10 H ILE 3 HN ILE 3 -6.422 -3.243 -1.144 11 HA ILE 3 HA ILE 3 -7.585 -1.160 -2.708 12 HB ILE 3 HB ILE 3 -5.120 -1.028 -0.935 13 HG12 ILE 3 HG12 ILE 3 -8.013 -0.416 -0.262 14 HG13 ILE 3 HG11 ILE 3 -7.119 -1.826 0.290 15 HG21 ILE 3 HG21 ILE 3 -6.948 1.142 -1.978 16 HG22 ILE 3 HG22 ILE 3 -5.283 0.850 -2.476 17 HG23 ILE 3 HG23 ILE 3 -5.630 1.383 -0.831 18 HD11 ILE 3 HD11 ILE 3 -5.586 -0.353 1.513 19 HD12 ILE 3 HD12 ILE 3 -7.260 -0.146 2.029 20 HD13 ILE 3 HD13 ILE 3 -6.515 1.039 0.956 21 H ALA 4 HN ALA 4 -6.980 -0.492 -4.600 22 HA ALA 4 HA ALA 4 -4.982 -1.738 -6.155 23 HB1 ALA 4 HB1 ALA 4 -6.446 0.863 -6.626 24 HB2 ALA 4 HB2 ALA 4 -6.990 -0.735 -7.136 25 HB3 ALA 4 HB3 ALA 4 -5.533 -0.033 -7.838 26 H THR 5 HN THR 5 -2.950 -0.963 -6.830 27 HA THR 5 HA THR 5 -1.681 0.479 -4.791 28 HB THR 5 HB THR 5 0.350 0.175 -6.065 29 HG1 THR 5 HG1 THR 5 -0.726 0.234 -8.186 30 HG21 THR 5 HG21 THR 5 -0.387 -1.551 -4.566 31 HG22 THR 5 HG22 THR 5 0.350 -2.290 -5.990 32 HG23 THR 5 HG23 THR 5 -1.405 -2.254 -5.822 33 H GLY 6 HN GLY 6 -0.743 2.450 -4.784 34 HA2 GLY 6 HA2 GLY 6 -0.314 4.590 -5.667 35 HA3 GLY 6 HA1 GLY 6 -1.454 4.254 -6.966 36 H SER 7 HN SER 7 -3.243 3.070 -4.784 37 HA SER 7 HA SER 7 -4.592 5.572 -4.227 38 HB2 SER 7 HB2 SER 7 -5.516 2.734 -3.740 39 HB3 SER 7 HB1 SER 7 -6.514 4.190 -3.750 40 HG SER 7 HG SER 7 -5.463 2.722 -5.823 41 H PHE 8 HN PHE 8 -5.535 5.881 -2.085 42 HA PHE 8 HA PHE 8 -3.587 5.831 -0.044 43 HB2 PHE 8 HB2 PHE 8 -5.245 7.617 -0.294 44 HB3 PHE 8 HB1 PHE 8 -6.539 6.475 0.004 45 HD1 PHE 8 HD1 PHE 8 -3.611 8.117 1.571 46 HD2 PHE 8 HD2 PHE 8 -7.284 6.053 2.188 47 HE1 PHE 8 HE1 PHE 8 -3.528 8.682 3.959 48 HE2 PHE 8 HE2 PHE 8 -7.199 6.606 4.579 49 HZ PHE 8 HZ PHE 8 -5.318 7.926 5.469 50 H CYS 9 HN CYS 9 -3.286 4.486 1.593 51 HA CYS 9 HA CYS 9 -5.155 2.211 1.938 52 HB2 CYS 9 HB2 CYS 9 -3.359 0.793 2.375 53 HB3 CYS 9 HB1 CYS 9 -2.673 1.835 1.133 54 H THR 10 HN THR 10 -5.194 1.395 4.213 55 HA THR 10 HA THR 10 -4.300 3.406 6.105 56 HB THR 10 HB THR 10 -5.985 2.132 7.655 57 HG1 THR 10 HG1 THR 10 -7.218 0.724 6.683 58 HG21 THR 10 HG21 THR 10 -6.267 4.461 6.926 59 HG22 THR 10 HG22 THR 10 -7.813 3.611 6.917 60 HG23 THR 10 HG23 THR 10 -6.957 3.904 5.402 61 H LEU 11 HN LEU 11 -4.337 -0.007 5.236 62 HA LEU 11 HA LEU 11 -1.969 -0.394 6.896 63 HB2 LEU 11 HB2 LEU 11 -4.247 -2.376 6.550 64 HB3 LEU 11 HB1 LEU 11 -2.697 -2.785 7.226 65 HG LEU 11 HG LEU 11 -4.136 -2.638 9.039 66 HD11 LEU 11 HD11 LEU 11 -2.069 -1.576 9.506 67 HD12 LEU 11 HD12 LEU 11 -3.374 -0.784 10.391 68 HD13 LEU 11 HD13 LEU 11 -2.699 -0.024 8.952 69 HD21 LEU 11 HD21 LEU 11 -5.632 -0.742 9.533 70 HD22 LEU 11 HD22 LEU 11 -6.047 -1.553 8.025 71 HD23 LEU 11 HD23 LEU 11 -5.187 -0.013 7.990 72 H SER 12 HN SER 12 -0.396 -1.683 5.905 73 HA SER 12 HA SER 12 -0.268 -1.632 3.129 74 HB2 SER 12 HB2 SER 12 1.743 -3.157 3.557 75 HB3 SER 12 HB1 SER 12 1.762 -1.552 4.291 76 HG SER 12 HG SER 12 2.285 -3.556 5.597 77 H LYS 13 HN LYS 13 -1.164 -4.228 5.311 78 HA LYS 13 HA LYS 13 -1.104 -6.242 3.339 79 HB2 LYS 13 HB2 LYS 13 -2.331 -7.661 4.991 80 HB3 LYS 13 HB1 LYS 13 -0.846 -6.961 5.586 81 HG2 LYS 13 HG2 LYS 13 -2.403 -6.832 7.369 82 HG3 LYS 13 HG1 LYS 13 -2.265 -5.203 6.729 83 HD2 LYS 13 HD2 LYS 13 -4.555 -5.630 7.191 84 HD3 LYS 13 HD1 LYS 13 -4.349 -5.589 5.444 85 HE2 LYS 13 HE2 LYS 13 -5.825 -7.426 6.064 86 HE3 LYS 13 HE1 LYS 13 -4.325 -8.075 5.412 87 HZ1 LYS 13 HZ1 LYS 13 -3.588 -8.473 7.716 88 HZ2 LYS 13 HZ2 LYS 13 -5.043 -9.268 7.429 89 HZ3 LYS 13 HZ3 LYS 13 -5.023 -7.837 8.286 90 H GLY 14 HN GLY 14 -3.300 -3.763 3.681 91 HA2 GLY 14 HA2 GLY 14 -5.562 -5.260 2.625 92 HA3 GLY 14 HA1 GLY 14 -5.533 -3.546 3.023 93 H CYS 15 HN CYS 15 -2.817 -3.824 1.448 94 HA CYS 15 HA CYS 15 -3.916 -2.810 -1.019 95 HB2 CYS 15 HB2 CYS 15 -1.072 -3.249 -0.133 96 HB3 CYS 15 HB1 CYS 15 -1.580 -2.375 -1.572 97 H CYS 16 HN CYS 16 -3.508 -3.709 -3.061 98 HA CYS 16 HA CYS 16 -3.719 -6.467 -3.281 99 HB2 CYS 16 HB2 CYS 16 -2.835 -4.480 -5.354 100 HB3 CYS 16 HB1 CYS 16 -3.368 -6.125 -5.696 101 H THR 17 HN THR 17 -0.791 -4.470 -3.268 102 HA THR 17 HA THR 17 0.918 -6.656 -4.012 103 HB THR 17 HB THR 17 2.594 -4.853 -3.387 104 HG1 THR 17 HG1 THR 17 1.726 -2.825 -3.108 105 HG21 THR 17 HG21 THR 17 2.067 -3.567 -5.426 106 HG22 THR 17 HG22 THR 17 0.507 -4.393 -5.515 107 HG23 THR 17 HG23 THR 17 2.009 -5.311 -5.689 108 H LYS 18 HN LYS 18 -0.711 -5.883 -1.216 109 HA LYS 18 HA LYS 18 -0.484 -6.109 1.005 110 HB2 LYS 18 HB2 LYS 18 1.925 -7.825 0.324 111 HB3 LYS 18 HB1 LYS 18 1.193 -7.706 1.911 112 HG2 LYS 18 HG2 LYS 18 -0.143 -8.797 -0.554 113 HG3 LYS 18 HG1 LYS 18 0.577 -9.765 0.730 114 HD2 LYS 18 HD2 LYS 18 -1.026 -8.728 2.326 115 HD3 LYS 18 HD1 LYS 18 -1.780 -7.894 0.967 116 HE2 LYS 18 HE2 LYS 18 -1.565 -10.881 1.327 117 HE3 LYS 18 HE1 LYS 18 -3.019 -9.910 1.540 118 HZ1 LYS 18 HZ1 LYS 18 -1.541 -10.308 -1.010 119 HZ2 LYS 18 HZ2 LYS 18 -2.875 -9.310 -0.805 120 HZ3 LYS 18 HZ3 LYS 18 -3.036 -10.964 -0.594 121 H ASN 19 HN ASN 19 1.234 -4.141 -0.676 122 HA ASN 19 HA ASN 19 2.993 -3.347 1.529 123 HB2 ASN 19 HB2 ASN 19 4.313 -4.310 -0.322 124 HB3 ASN 19 HB1 ASN 19 3.604 -3.138 -1.426 125 HD21 ASN 19 HD21 ASN 19 5.594 -2.183 -1.952 126 HD22 ASN 19 HD22 ASN 19 6.456 -1.227 -0.812 127 H CYS 20 HN CYS 20 2.817 -1.317 2.152 128 HA CYS 20 HA CYS 20 1.818 0.751 0.385 129 HB2 CYS 20 HB2 CYS 20 -0.174 -0.095 1.775 130 HB3 CYS 20 HB1 CYS 20 0.771 0.311 3.186 131 H GLY 21 HN GLY 21 2.986 2.625 0.789 132 HA2 GLY 21 HA2 GLY 21 5.176 2.229 2.685 133 HA3 GLY 21 HA1 GLY 21 5.094 3.462 1.435 134 H TRP 22 HN TRP 22 5.981 4.552 3.535 135 HA TRP 22 HA TRP 22 4.232 5.324 5.562 136 HB2 TRP 22 HB2 TRP 22 5.878 6.931 6.117 137 HB3 TRP 22 HB1 TRP 22 6.766 5.520 5.642 138 HD1 TRP 22 HD1 TRP 22 7.182 5.877 2.574 139 HE1 TRP 22 HE1 TRP 22 8.430 7.908 1.621 140 HE3 TRP 22 HE3 TRP 22 6.683 8.956 6.513 141 HZ2 TRP 22 HZ2 TRP 22 9.130 10.524 2.466 142 HZ3 TRP 22 HZ3 TRP 22 7.667 11.255 6.414 143 HH2 TRP 22 HH2 TRP 22 8.870 12.001 4.415 144 H ASN 23 HN ASN 23 4.379 6.145 2.329 145 HA ASN 23 HA ASN 23 3.433 8.828 2.387 146 HB2 ASN 23 HB2 ASN 23 3.165 8.568 -0.030 147 HB3 ASN 23 HB1 ASN 23 4.712 7.900 0.470 148 HD21 ASN 23 HD21 ASN 23 3.221 7.338 -1.948 149 HD22 ASN 23 HD22 ASN 23 2.900 5.641 -1.931 150 H PHE 24 HN PHE 24 2.026 5.828 2.977 151 HA PHE 24 HA PHE 24 -0.029 5.138 3.485 152 HB2 PHE 24 HB2 PHE 24 -0.800 8.028 3.085 153 HB3 PHE 24 HB1 PHE 24 -1.989 6.791 3.455 154 HD1 PHE 24 HD1 PHE 24 -1.947 5.652 5.621 155 HD2 PHE 24 HD2 PHE 24 0.661 8.894 4.749 156 HE1 PHE 24 HE1 PHE 24 -1.525 5.946 8.023 157 HE2 PHE 24 HE2 PHE 24 1.096 9.199 7.154 158 HZ PHE 24 HZ PHE 24 -0.004 7.721 8.796 159 H LYS 25 HN LYS 25 1.079 5.283 0.726 160 HA LYS 25 HA LYS 25 -1.442 4.510 -0.473 161 HB2 LYS 25 HB2 LYS 25 0.733 6.075 -1.850 162 HB3 LYS 25 HB1 LYS 25 -0.436 5.129 -2.756 163 HG2 LYS 25 HG2 LYS 25 -1.380 7.258 -2.810 164 HG3 LYS 25 HG1 LYS 25 -2.201 6.511 -1.462 165 HD2 LYS 25 HD2 LYS 25 -1.622 8.641 -0.689 166 HD3 LYS 25 HD1 LYS 25 -0.434 7.542 0.013 167 HE2 LYS 25 HE2 LYS 25 0.759 9.469 -0.756 168 HE3 LYS 25 HE1 LYS 25 1.128 8.149 -1.856 169 HZ1 LYS 25 HZ1 LYS 25 0.678 10.210 -3.053 170 HZ2 LYS 25 HZ2 LYS 25 -0.843 10.315 -2.348 171 HZ3 LYS 25 HZ3 LYS 25 -0.515 9.072 -3.422 172 H CYS 26 HN CYS 26 -1.470 2.745 -1.744 173 HA CYS 26 HA CYS 26 0.235 0.701 -0.869 174 HB2 CYS 26 HB2 CYS 26 -1.834 0.863 -3.010 175 HB3 CYS 26 HB1 CYS 26 -1.104 -0.669 -2.486 176 H ASN 27 HN ASN 27 2.134 0.135 -1.609 177 HA ASN 27 HA ASN 27 3.087 1.322 -4.113 178 HB2 ASN 27 HB2 ASN 27 4.600 0.368 -1.667 179 HB3 ASN 27 HB1 ASN 27 5.385 0.824 -3.167 180 HD21 ASN 27 HD21 ASN 27 5.684 1.955 -0.536 181 HD22 ASN 27 HD22 ASN 27 5.272 3.622 -0.661 182 HA HYP 28 HA HYP 28 3.737 -2.757 -5.943 183 HB2 HYP 28 HB1 HYP 28 5.163 -2.352 -7.756 184 HB3 HYP 28 HB2 HYP 28 6.302 -1.424 -6.771 185 HG HYP 28 HG HYP 28 5.114 0.251 -7.958 186 HD22 HYP 28 HD11 HYP 28 3.173 0.686 -6.068 187 HD23 HYP 28 HD12 HYP 28 4.879 1.030 -5.733 188 HD1 HYP 28 HD2 HYP 28 2.810 0.156 -7.887 189 HA HYP 29 HA HYP 29 6.582 -4.914 -3.329 190 HB2 HYP 29 HB1 HYP 29 6.330 -7.045 -4.140 191 HB3 HYP 29 HB2 HYP 29 7.608 -6.730 -5.318 192 HG HYP 29 HG HYP 29 5.808 -6.985 -6.803 193 HD22 HYP 29 HD11 HYP 29 4.718 -4.555 -6.889 194 HD23 HYP 29 HD12 HYP 29 6.475 -4.680 -7.134 195 HD1 HYP 29 HD2 HYP 29 3.767 -5.974 -6.066 196 H ASN 30 HN ASN 30 8.193 -3.509 -2.846 197 HA ASN 30 HA ASN 30 10.315 -3.088 -4.822 198 HB2 ASN 30 HB2 ASN 30 9.594 -1.460 -2.375 199 HB3 ASN 30 HB1 ASN 30 10.949 -1.114 -3.441 200 HD21 ASN 30 HD21 ASN 30 8.649 0.559 -2.810 201 HD22 ASN 30 HD22 ASN 30 7.877 0.876 -4.320 202 H GLN 31 HN GLN 31 9.718 -4.996 -2.255 203 HA GLN 31 HA GLN 31 12.572 -5.252 -1.683 204 HB2 GLN 31 HB2 GLN 31 10.307 -5.470 0.321 205 HB3 GLN 31 HB1 GLN 31 11.962 -5.956 0.648 206 HG2 GLN 31 HG2 GLN 31 12.683 -3.616 0.268 207 HG3 GLN 31 HG1 GLN 31 10.999 -3.167 0.035 208 HE21 GLN 31 HE21 GLN 31 10.043 -4.981 2.150 209 HE22 GLN 31 HE22 GLN 31 10.488 -4.228 3.628 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -12.626 -5.713 -1.452 2 H2 GLY 1 HT2 GLY 1 -11.987 -7.139 -0.814 3 H3 GLY 1 HT3 GLY 1 -13.108 -7.215 -2.080 4 HA2 GLY 1 HA1 GLY 1 -10.863 -7.590 -2.873 5 HA3 GLY 1 HA2 GLY 1 -11.531 -6.098 -3.530 6 H CYS 2 HN CYS 2 -8.805 -6.426 -3.432 7 HA CYS 2 HA CYS 2 -7.889 -5.125 -1.009 8 HB2 CYS 2 HB2 CYS 2 -5.612 -5.526 -2.023 9 HB3 CYS 2 HB1 CYS 2 -6.542 -6.981 -1.690 10 H ILE 3 HN ILE 3 -6.403 -3.265 -1.221 11 HA ILE 3 HA ILE 3 -7.579 -1.297 -2.954 12 HB ILE 3 HB ILE 3 -5.192 -1.028 -1.087 13 HG12 ILE 3 HG12 ILE 3 -8.095 -0.329 -0.610 14 HG13 ILE 3 HG11 ILE 3 -7.264 -1.718 0.084 15 HG21 ILE 3 HG21 ILE 3 -5.678 1.385 -1.193 16 HG22 ILE 3 HG22 ILE 3 -6.958 1.070 -2.367 17 HG23 ILE 3 HG23 ILE 3 -5.279 0.725 -2.780 18 HD11 ILE 3 HD11 ILE 3 -6.607 1.176 0.586 19 HD12 ILE 3 HD12 ILE 3 -5.772 -0.208 1.292 20 HD13 ILE 3 HD13 ILE 3 -7.466 0.094 1.684 21 H ALA 4 HN ALA 4 -6.870 -0.766 -4.895 22 HA ALA 4 HA ALA 4 -4.648 -2.085 -6.052 23 HB1 ALA 4 HB1 ALA 4 -6.235 0.254 -7.110 24 HB2 ALA 4 HB2 ALA 4 -6.624 -1.446 -7.372 25 HB3 ALA 4 HB3 ALA 4 -5.139 -0.767 -8.041 26 H THR 5 HN THR 5 -2.766 -1.090 -6.883 27 HA THR 5 HA THR 5 -1.640 0.521 -4.908 28 HB THR 5 HB THR 5 0.389 0.396 -6.168 29 HG1 THR 5 HG1 THR 5 0.371 -0.291 -8.256 30 HG21 THR 5 HG21 THR 5 -0.206 -1.420 -4.735 31 HG22 THR 5 HG22 THR 5 0.600 -2.047 -6.174 32 HG23 THR 5 HG23 THR 5 -1.152 -2.170 -6.020 33 H GLY 6 HN GLY 6 -0.975 2.575 -4.913 34 HA2 GLY 6 HA2 GLY 6 -0.657 4.700 -5.989 35 HA3 GLY 6 HA1 GLY 6 -1.955 4.267 -7.099 36 H SER 7 HN SER 7 -3.587 3.132 -4.911 37 HA SER 7 HA SER 7 -4.772 5.624 -4.148 38 HB2 SER 7 HB2 SER 7 -5.671 2.777 -3.734 39 HB3 SER 7 HB1 SER 7 -6.640 4.217 -3.402 40 HG SER 7 HG SER 7 -5.819 4.606 -5.773 41 H PHE 8 HN PHE 8 -5.558 5.964 -1.987 42 HA PHE 8 HA PHE 8 -3.516 5.907 -0.061 43 HB2 PHE 8 HB2 PHE 8 -5.121 7.711 -0.135 44 HB3 PHE 8 HB1 PHE 8 -6.453 6.596 0.120 45 HD1 PHE 8 HD1 PHE 8 -7.144 6.030 2.290 46 HD2 PHE 8 HD2 PHE 8 -3.467 8.068 1.715 47 HE1 PHE 8 HE1 PHE 8 -6.964 6.377 4.712 48 HE2 PHE 8 HE2 PHE 8 -3.287 8.425 4.141 49 HZ PHE 8 HZ PHE 8 -5.029 7.579 5.639 50 H CYS 9 HN CYS 9 -3.031 4.477 1.441 51 HA CYS 9 HA CYS 9 -4.938 2.309 2.029 52 HB2 CYS 9 HB2 CYS 9 -2.951 0.908 2.461 53 HB3 CYS 9 HB1 CYS 9 -3.055 1.456 0.790 54 H THR 10 HN THR 10 -5.058 1.625 4.182 55 HA THR 10 HA THR 10 -3.693 3.338 6.118 56 HB THR 10 HB THR 10 -5.480 2.487 7.701 57 HG1 THR 10 HG1 THR 10 -7.029 1.244 6.970 58 HG21 THR 10 HG21 THR 10 -5.658 4.699 6.661 59 HG22 THR 10 HG22 THR 10 -7.252 3.951 6.800 60 HG23 THR 10 HG23 THR 10 -6.421 3.980 5.248 61 H LEU 11 HN LEU 11 -4.238 0.095 5.011 62 HA LEU 11 HA LEU 11 -2.491 -0.977 7.105 63 HB2 LEU 11 HB2 LEU 11 -4.790 -2.334 5.693 64 HB3 LEU 11 HB1 LEU 11 -3.728 -3.086 6.857 65 HG LEU 11 HG LEU 11 -5.632 -0.823 7.475 66 HD11 LEU 11 HD11 LEU 11 -6.934 -2.526 8.651 67 HD12 LEU 11 HD12 LEU 11 -5.822 -3.770 8.079 68 HD13 LEU 11 HD13 LEU 11 -6.819 -2.881 6.927 69 HD21 LEU 11 HD21 LEU 11 -5.119 -1.353 9.808 70 HD22 LEU 11 HD22 LEU 11 -3.672 -0.851 8.933 71 HD23 LEU 11 HD23 LEU 11 -3.949 -2.560 9.277 72 H SER 12 HN SER 12 -0.898 -2.379 6.404 73 HA SER 12 HA SER 12 0.121 -2.220 3.818 74 HB2 SER 12 HB2 SER 12 1.480 -4.175 4.717 75 HB3 SER 12 HB1 SER 12 1.556 -2.666 5.641 76 HG SER 12 HG SER 12 1.196 -4.552 6.928 77 H LYS 13 HN LYS 13 -1.351 -4.893 5.469 78 HA LYS 13 HA LYS 13 -1.602 -6.608 3.287 79 HB2 LYS 13 HB2 LYS 13 -3.103 -7.973 4.623 80 HB3 LYS 13 HB1 LYS 13 -1.709 -7.483 5.552 81 HG2 LYS 13 HG2 LYS 13 -4.406 -6.124 5.773 82 HG3 LYS 13 HG1 LYS 13 -3.957 -7.509 6.754 83 HD2 LYS 13 HD2 LYS 13 -2.542 -4.809 6.752 84 HD3 LYS 13 HD1 LYS 13 -3.684 -5.373 7.942 85 HE2 LYS 13 HE2 LYS 13 -1.064 -6.763 7.360 86 HE3 LYS 13 HE1 LYS 13 -1.314 -5.613 8.661 87 HZ1 LYS 13 HZ1 LYS 13 -2.763 -8.204 8.375 88 HZ2 LYS 13 HZ2 LYS 13 -2.973 -7.090 9.615 89 HZ3 LYS 13 HZ3 LYS 13 -1.503 -7.878 9.445 90 H GLY 14 HN GLY 14 -3.329 -3.779 3.770 91 HA2 GLY 14 HA2 GLY 14 -5.849 -4.643 2.674 92 HA3 GLY 14 HA1 GLY 14 -5.332 -2.982 2.951 93 H CYS 15 HN CYS 15 -2.841 -3.474 1.491 94 HA CYS 15 HA CYS 15 -3.771 -2.690 -1.102 95 HB2 CYS 15 HB2 CYS 15 -1.004 -3.244 -0.073 96 HB3 CYS 15 HB1 CYS 15 -1.387 -2.471 -1.608 97 H CYS 16 HN CYS 16 -3.499 -3.783 -3.028 98 HA CYS 16 HA CYS 16 -3.589 -6.577 -3.000 99 HB2 CYS 16 HB2 CYS 16 -2.950 -4.699 -5.263 100 HB3 CYS 16 HB1 CYS 16 -3.350 -6.402 -5.468 101 H THR 17 HN THR 17 -0.797 -4.344 -3.436 102 HA THR 17 HA THR 17 1.004 -6.495 -3.973 103 HB THR 17 HB THR 17 2.656 -4.614 -3.589 104 HG1 THR 17 HG1 THR 17 1.757 -2.550 -3.504 105 HG21 THR 17 HG21 THR 17 0.477 -4.246 -5.642 106 HG22 THR 17 HG22 THR 17 1.922 -5.254 -5.829 107 HG23 THR 17 HG23 THR 17 2.073 -3.503 -5.690 108 H LYS 18 HN LYS 18 -0.590 -5.756 -1.158 109 HA LYS 18 HA LYS 18 -0.215 -5.576 1.026 110 HB2 LYS 18 HB2 LYS 18 1.815 -7.653 0.247 111 HB3 LYS 18 HB1 LYS 18 1.493 -7.233 1.924 112 HG2 LYS 18 HG2 LYS 18 -0.834 -7.898 1.662 113 HG3 LYS 18 HG1 LYS 18 -0.535 -8.283 -0.036 114 HD2 LYS 18 HD2 LYS 18 1.002 -9.987 0.552 115 HD3 LYS 18 HD1 LYS 18 0.942 -9.495 2.249 116 HE2 LYS 18 HE2 LYS 18 -0.377 -11.551 1.800 117 HE3 LYS 18 HE1 LYS 18 -1.358 -10.231 2.428 118 HZ1 LYS 18 HZ1 LYS 18 -2.127 -9.792 0.183 119 HZ2 LYS 18 HZ2 LYS 18 -2.439 -11.377 0.605 120 HZ3 LYS 18 HZ3 LYS 18 -1.163 -11.036 -0.429 121 H ASN 19 HN ASN 19 1.254 -3.741 -0.694 122 HA ASN 19 HA ASN 19 3.379 -3.025 1.169 123 HB2 ASN 19 HB2 ASN 19 4.332 -3.740 -0.970 124 HB3 ASN 19 HB1 ASN 19 3.310 -2.589 -1.820 125 HD21 ASN 19 HD21 ASN 19 5.219 -1.637 -2.707 126 HD22 ASN 19 HD22 ASN 19 6.176 -0.597 -1.744 127 H CYS 20 HN CYS 20 2.304 -1.632 2.367 128 HA CYS 20 HA CYS 20 1.064 0.695 1.079 129 HB2 CYS 20 HB2 CYS 20 -0.433 -0.555 2.625 130 HB3 CYS 20 HB1 CYS 20 0.794 -0.411 3.882 131 H GLY 21 HN GLY 21 2.577 2.232 0.932 132 HA2 GLY 21 HA2 GLY 21 4.916 2.113 2.600 133 HA3 GLY 21 HA1 GLY 21 4.586 3.276 1.322 134 H TRP 22 HN TRP 22 5.729 4.332 3.451 135 HA TRP 22 HA TRP 22 3.779 5.189 5.321 136 HB2 TRP 22 HB2 TRP 22 5.638 6.490 6.267 137 HB3 TRP 22 HB1 TRP 22 5.975 4.786 6.292 138 HD1 TRP 22 HD1 TRP 22 7.511 4.374 3.540 139 HE1 TRP 22 HE1 TRP 22 9.717 5.588 3.094 140 HE3 TRP 22 HE3 TRP 22 7.037 8.086 6.935 141 HZ2 TRP 22 HZ2 TRP 22 11.120 7.831 4.089 142 HZ3 TRP 22 HZ3 TRP 22 8.876 9.757 7.168 143 HH2 TRP 22 HH2 TRP 22 10.873 9.609 5.762 144 H ASN 23 HN ASN 23 4.329 5.914 2.298 145 HA ASN 23 HA ASN 23 3.829 8.769 2.342 146 HB2 ASN 23 HB2 ASN 23 3.749 8.575 -0.084 147 HB3 ASN 23 HB1 ASN 23 5.160 7.709 0.502 148 HD21 ASN 23 HD21 ASN 23 3.806 7.385 -2.007 149 HD22 ASN 23 HD22 ASN 23 3.272 5.734 -2.077 150 H PHE 24 HN PHE 24 2.140 6.032 2.949 151 HA PHE 24 HA PHE 24 0.023 5.590 3.435 152 HB2 PHE 24 HB2 PHE 24 -0.473 8.465 2.672 153 HB3 PHE 24 HB1 PHE 24 -1.752 7.385 3.202 154 HD1 PHE 24 HD1 PHE 24 1.363 9.085 4.243 155 HD2 PHE 24 HD2 PHE 24 -2.059 6.889 5.497 156 HE1 PHE 24 HE1 PHE 24 1.852 9.667 6.580 157 HE2 PHE 24 HE2 PHE 24 -1.579 7.461 7.835 158 HZ PHE 24 HZ PHE 24 0.378 8.851 8.387 159 H LYS 25 HN LYS 25 1.207 5.298 0.702 160 HA LYS 25 HA LYS 25 -1.353 4.792 -0.638 161 HB2 LYS 25 HB2 LYS 25 1.237 5.644 -1.890 162 HB3 LYS 25 HB1 LYS 25 -0.175 5.122 -2.793 163 HG2 LYS 25 HG2 LYS 25 -1.414 7.053 -1.909 164 HG3 LYS 25 HG1 LYS 25 0.042 7.567 -1.045 165 HD2 LYS 25 HD2 LYS 25 1.242 7.723 -3.157 166 HD3 LYS 25 HD1 LYS 25 -0.207 7.227 -4.033 167 HE2 LYS 25 HE2 LYS 25 -1.365 9.225 -3.184 168 HE3 LYS 25 HE1 LYS 25 0.119 9.716 -2.365 169 HZ1 LYS 25 HZ1 LYS 25 -0.118 10.872 -4.417 170 HZ2 LYS 25 HZ2 LYS 25 -0.279 9.446 -5.292 171 HZ3 LYS 25 HZ3 LYS 25 1.199 9.823 -4.557 172 H CYS 26 HN CYS 26 -1.444 2.922 -1.851 173 HA CYS 26 HA CYS 26 0.286 0.800 -1.070 174 HB2 CYS 26 HB2 CYS 26 -1.871 1.045 -3.154 175 HB3 CYS 26 HB1 CYS 26 -1.070 -0.494 -2.776 176 H ASN 27 HN ASN 27 2.138 0.328 -1.994 177 HA ASN 27 HA ASN 27 2.866 1.832 -4.419 178 HB2 ASN 27 HB2 ASN 27 4.611 0.876 -2.125 179 HB3 ASN 27 HB1 ASN 27 5.226 1.669 -3.565 180 HD21 ASN 27 HD21 ASN 27 5.407 2.483 -0.773 181 HD22 ASN 27 HD22 ASN 27 4.659 4.035 -0.668 182 HA HYP 28 HA HYP 28 3.898 -1.828 -6.817 183 HB2 HYP 28 HB1 HYP 28 5.777 -1.387 -8.140 184 HB3 HYP 28 HB2 HYP 28 6.729 -0.820 -6.761 185 HG HYP 28 HG HYP 28 6.112 1.174 -7.896 186 HD22 HYP 28 HD11 HYP 28 3.926 1.760 -6.384 187 HD23 HYP 28 HD12 HYP 28 5.522 1.570 -5.628 188 HD1 HYP 28 HD2 HYP 28 4.001 1.512 -8.488 189 HA HYP 29 HA HYP 29 5.039 -4.672 -3.710 190 HB2 HYP 29 HB1 HYP 29 4.048 -6.286 -4.995 191 HB3 HYP 29 HB2 HYP 29 5.719 -6.802 -5.253 192 HG HYP 29 HG HYP 29 5.550 -6.220 -7.457 193 HD22 HYP 29 HD11 HYP 29 4.488 -3.635 -7.593 194 HD23 HYP 29 HD12 HYP 29 6.205 -3.981 -7.315 195 HD1 HYP 29 HD2 HYP 29 3.225 -4.907 -7.475 196 H ASN 30 HN ASN 30 6.886 -4.281 -2.596 197 HA ASN 30 HA ASN 30 9.436 -4.500 -3.997 198 HB2 ASN 30 HB2 ASN 30 10.533 -3.631 -1.977 199 HB3 ASN 30 HB1 ASN 30 9.192 -2.586 -2.408 200 HD21 ASN 30 HD21 ASN 30 7.489 -2.382 -0.993 201 HD22 ASN 30 HD22 ASN 30 7.479 -3.074 0.573 202 H GLN 31 HN GLN 31 7.341 -6.273 -2.067 203 HA GLN 31 HA GLN 31 9.165 -8.533 -2.027 204 HB2 GLN 31 HB2 GLN 31 7.529 -7.507 0.303 205 HB3 GLN 31 HB1 GLN 31 8.184 -9.135 0.237 206 HG2 GLN 31 HG2 GLN 31 10.423 -8.295 0.246 207 HG3 GLN 31 HG1 GLN 31 9.849 -6.637 0.086 208 HE21 GLN 31 HE21 GLN 31 9.015 -5.616 1.844 209 HE22 GLN 31 HE22 GLN 31 9.195 -6.205 3.460 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -11.766 -4.188 -4.129 2 H2 GLY 1 HT2 GLY 1 -12.359 -5.560 -4.897 3 H3 GLY 1 HT3 GLY 1 -10.711 -5.175 -4.976 4 HA2 GLY 1 HA1 GLY 1 -12.177 -5.866 -2.505 5 HA3 GLY 1 HA2 GLY 1 -11.101 -6.948 -3.378 6 H CYS 2 HN CYS 2 -8.859 -6.483 -3.392 7 HA CYS 2 HA CYS 2 -7.850 -5.159 -1.095 8 HB2 CYS 2 HB2 CYS 2 -5.628 -5.639 -2.173 9 HB3 CYS 2 HB1 CYS 2 -6.654 -7.056 -1.982 10 H ILE 3 HN ILE 3 -6.397 -3.296 -1.151 11 HA ILE 3 HA ILE 3 -7.536 -1.264 -2.793 12 HB ILE 3 HB ILE 3 -5.103 -0.982 -1.002 13 HG12 ILE 3 HG12 ILE 3 -8.019 -0.531 -0.339 14 HG13 ILE 3 HG11 ILE 3 -7.075 -1.913 0.203 15 HG21 ILE 3 HG21 ILE 3 -5.451 0.859 -2.595 16 HG22 ILE 3 HG22 ILE 3 -5.773 1.388 -0.944 17 HG23 ILE 3 HG23 ILE 3 -7.114 1.039 -2.034 18 HD11 ILE 3 HD11 ILE 3 -6.535 0.962 0.880 19 HD12 ILE 3 HD12 ILE 3 -5.612 -0.429 1.451 20 HD13 ILE 3 HD13 ILE 3 -7.299 -0.226 1.935 21 H ALA 4 HN ALA 4 -6.914 -0.623 -4.672 22 HA ALA 4 HA ALA 4 -4.835 -1.831 -6.146 23 HB1 ALA 4 HB1 ALA 4 -5.418 -0.187 -7.880 24 HB2 ALA 4 HB2 ALA 4 -6.407 0.687 -6.711 25 HB3 ALA 4 HB3 ALA 4 -6.856 -0.947 -7.200 26 H THR 5 HN THR 5 -2.860 -0.894 -6.896 27 HA THR 5 HA THR 5 -1.747 0.648 -4.818 28 HB THR 5 HB THR 5 0.385 0.317 -5.968 29 HG1 THR 5 HG1 THR 5 -0.503 0.064 -8.125 30 HG21 THR 5 HG21 THR 5 0.466 -2.100 -5.567 31 HG22 THR 5 HG22 THR 5 -1.297 -2.125 -5.487 32 HG23 THR 5 HG23 THR 5 -0.368 -1.219 -4.292 33 H GLY 6 HN GLY 6 -0.917 2.604 -4.845 34 HA2 GLY 6 HA2 GLY 6 -0.448 4.699 -5.912 35 HA3 GLY 6 HA1 GLY 6 -1.660 4.301 -7.131 36 H SER 7 HN SER 7 -3.340 3.163 -4.871 37 HA SER 7 HA SER 7 -4.634 5.664 -4.210 38 HB2 SER 7 HB2 SER 7 -5.514 2.803 -3.823 39 HB3 SER 7 HB1 SER 7 -6.497 4.234 -3.502 40 HG SER 7 HG SER 7 -5.299 3.906 -6.009 41 H PHE 8 HN PHE 8 -5.529 5.894 -2.026 42 HA PHE 8 HA PHE 8 -3.488 5.829 -0.067 43 HB2 PHE 8 HB2 PHE 8 -5.091 7.643 -0.264 44 HB3 PHE 8 HB1 PHE 8 -6.420 6.542 0.025 45 HD1 PHE 8 HD1 PHE 8 -3.646 8.386 1.540 46 HD2 PHE 8 HD2 PHE 8 -6.975 5.839 2.256 47 HE1 PHE 8 HE1 PHE 8 -3.576 8.963 3.922 48 HE2 PHE 8 HE2 PHE 8 -6.905 6.404 4.638 49 HZ PHE 8 HZ PHE 8 -5.218 7.966 5.479 50 H CYS 9 HN CYS 9 -3.178 4.450 1.575 51 HA CYS 9 HA CYS 9 -5.108 2.213 1.929 52 HB2 CYS 9 HB2 CYS 9 -3.346 0.759 2.354 53 HB3 CYS 9 HB1 CYS 9 -2.621 1.813 1.142 54 H THR 10 HN THR 10 -5.199 1.378 4.185 55 HA THR 10 HA THR 10 -4.276 3.344 6.102 56 HB THR 10 HB THR 10 -5.997 2.211 7.651 57 HG1 THR 10 HG1 THR 10 -7.168 0.699 6.815 58 HG21 THR 10 HG21 THR 10 -7.002 3.710 5.231 59 HG22 THR 10 HG22 THR 10 -6.294 4.443 6.658 60 HG23 THR 10 HG23 THR 10 -7.830 3.580 6.785 61 H LEU 11 HN LEU 11 -4.292 -0.022 5.148 62 HA LEU 11 HA LEU 11 -2.038 -0.518 6.937 63 HB2 LEU 11 HB2 LEU 11 -4.371 -2.388 6.436 64 HB3 LEU 11 HB1 LEU 11 -2.905 -2.817 7.285 65 HG LEU 11 HG LEU 11 -4.926 -0.782 8.241 66 HD11 LEU 11 HD11 LEU 11 -5.808 -3.063 8.283 67 HD12 LEU 11 HD12 LEU 11 -5.504 -2.465 9.912 68 HD13 LEU 11 HD13 LEU 11 -4.380 -3.601 9.168 69 HD21 LEU 11 HD21 LEU 11 -2.497 -1.964 9.595 70 HD22 LEU 11 HD22 LEU 11 -3.677 -0.895 10.348 71 HD23 LEU 11 HD23 LEU 11 -2.668 -0.299 9.033 72 H SER 12 HN SER 12 -0.422 -1.711 5.950 73 HA SER 12 HA SER 12 -0.079 -1.737 3.220 74 HB2 SER 12 HB2 SER 12 1.692 -3.504 3.804 75 HB3 SER 12 HB1 SER 12 1.834 -1.920 4.567 76 HG SER 12 HG SER 12 1.418 -2.745 6.417 77 H LYS 13 HN LYS 13 -1.092 -4.343 5.252 78 HA LYS 13 HA LYS 13 -1.200 -6.298 3.253 79 HB2 LYS 13 HB2 LYS 13 -2.362 -7.744 4.870 80 HB3 LYS 13 HB1 LYS 13 -0.879 -7.081 5.490 81 HG2 LYS 13 HG2 LYS 13 -3.608 -5.976 6.169 82 HG3 LYS 13 HG1 LYS 13 -2.848 -7.265 7.076 83 HD2 LYS 13 HD2 LYS 13 -1.769 -4.404 6.833 84 HD3 LYS 13 HD1 LYS 13 -2.659 -5.075 8.162 85 HE2 LYS 13 HE2 LYS 13 -0.380 -5.075 8.821 86 HE3 LYS 13 HE1 LYS 13 -0.823 -6.741 8.516 87 HZ1 LYS 13 HZ1 LYS 13 0.761 -5.024 6.632 88 HZ2 LYS 13 HZ2 LYS 13 0.440 -6.675 6.438 89 HZ3 LYS 13 HZ3 LYS 13 1.370 -6.160 7.685 90 H GLY 14 HN GLY 14 -3.294 -3.762 3.656 91 HA2 GLY 14 HA2 GLY 14 -5.656 -5.173 2.712 92 HA3 GLY 14 HA1 GLY 14 -5.497 -3.443 3.019 93 H CYS 15 HN CYS 15 -2.924 -3.596 1.465 94 HA CYS 15 HA CYS 15 -4.002 -2.783 -1.055 95 HB2 CYS 15 HB2 CYS 15 -1.149 -3.201 -0.176 96 HB3 CYS 15 HB1 CYS 15 -1.678 -2.331 -1.612 97 H CYS 16 HN CYS 16 -3.569 -3.761 -3.069 98 HA CYS 16 HA CYS 16 -3.712 -6.553 -3.136 99 HB2 CYS 16 HB2 CYS 16 -2.947 -4.650 -5.350 100 HB3 CYS 16 HB1 CYS 16 -3.433 -6.329 -5.574 101 H THR 17 HN THR 17 -0.861 -4.412 -3.364 102 HA THR 17 HA THR 17 0.889 -6.572 -4.015 103 HB THR 17 HB THR 17 2.578 -4.751 -3.478 104 HG1 THR 17 HG1 THR 17 1.791 -2.754 -3.059 105 HG21 THR 17 HG21 THR 17 1.939 -5.262 -5.770 106 HG22 THR 17 HG22 THR 17 1.994 -3.500 -5.558 107 HG23 THR 17 HG23 THR 17 0.450 -4.338 -5.574 108 H LYS 18 HN LYS 18 -0.711 -5.810 -1.231 109 HA LYS 18 HA LYS 18 -0.453 -6.074 0.996 110 HB2 LYS 18 HB2 LYS 18 1.739 -7.974 0.120 111 HB3 LYS 18 HB1 LYS 18 1.174 -7.829 1.775 112 HG2 LYS 18 HG2 LYS 18 -0.519 -8.654 -0.568 113 HG3 LYS 18 HG1 LYS 18 0.212 -9.763 0.596 114 HD2 LYS 18 HD2 LYS 18 -1.073 -8.669 2.398 115 HD3 LYS 18 HD1 LYS 18 -1.825 -7.614 1.202 116 HE2 LYS 18 HE2 LYS 18 -2.767 -9.577 0.077 117 HE3 LYS 18 HE1 LYS 18 -2.039 -10.617 1.301 118 HZ1 LYS 18 HZ1 LYS 18 -4.033 -8.488 1.862 119 HZ2 LYS 18 HZ2 LYS 18 -3.413 -9.592 2.968 120 HZ3 LYS 18 HZ3 LYS 18 -4.390 -10.126 1.716 121 H ASN 19 HN ASN 19 1.156 -4.031 -0.464 122 HA ASN 19 HA ASN 19 2.918 -3.395 1.750 123 HB2 ASN 19 HB2 ASN 19 4.396 -4.436 0.117 124 HB3 ASN 19 HB1 ASN 19 3.778 -3.392 -1.156 125 HD21 ASN 19 HD21 ASN 19 4.595 -1.373 -1.359 126 HD22 ASN 19 HD22 ASN 19 5.890 -0.743 -0.409 127 H CYS 20 HN CYS 20 2.917 -1.348 2.290 128 HA CYS 20 HA CYS 20 1.912 0.680 0.489 129 HB2 CYS 20 HB2 CYS 20 -0.085 -0.145 1.832 130 HB3 CYS 20 HB1 CYS 20 0.812 0.263 3.282 131 H GLY 21 HN GLY 21 3.001 2.598 0.909 132 HA2 GLY 21 HA2 GLY 21 5.228 2.226 2.763 133 HA3 GLY 21 HA1 GLY 21 5.122 3.424 1.481 134 H TRP 22 HN TRP 22 5.988 4.690 3.381 135 HA TRP 22 HA TRP 22 4.155 5.405 5.420 136 HB2 TRP 22 HB2 TRP 22 5.896 7.127 5.905 137 HB3 TRP 22 HB1 TRP 22 6.483 5.518 6.126 138 HD1 TRP 22 HD1 TRP 22 7.900 4.698 3.600 139 HE1 TRP 22 HE1 TRP 22 9.645 6.150 2.398 140 HE3 TRP 22 HE3 TRP 22 6.662 9.077 5.613 141 HZ2 TRP 22 HZ2 TRP 22 10.414 8.886 2.345 142 HZ3 TRP 22 HZ3 TRP 22 7.940 11.165 4.983 143 HH2 TRP 22 HH2 TRP 22 9.784 11.029 3.374 144 H ASN 23 HN ASN 23 4.264 6.106 2.282 145 HA ASN 23 HA ASN 23 3.401 8.858 2.372 146 HB2 ASN 23 HB2 ASN 23 3.144 8.597 -0.067 147 HB3 ASN 23 HB1 ASN 23 4.720 8.020 0.448 148 HD21 ASN 23 HD21 ASN 23 3.453 7.346 -1.991 149 HD22 ASN 23 HD22 ASN 23 3.173 5.640 -1.988 150 H PHE 24 HN PHE 24 2.106 5.832 2.927 151 HA PHE 24 HA PHE 24 0.110 4.979 3.329 152 HB2 PHE 24 HB2 PHE 24 -0.705 7.865 3.384 153 HB3 PHE 24 HB1 PHE 24 -1.888 6.582 3.608 154 HD1 PHE 24 HD1 PHE 24 0.933 8.368 5.076 155 HD2 PHE 24 HD2 PHE 24 -1.829 5.174 5.576 156 HE1 PHE 24 HE1 PHE 24 1.510 8.243 7.463 157 HE2 PHE 24 HE2 PHE 24 -1.255 5.042 7.963 158 HZ PHE 24 HZ PHE 24 0.412 6.577 8.910 159 H LYS 25 HN LYS 25 1.072 5.281 0.687 160 HA LYS 25 HA LYS 25 -1.476 4.841 -0.702 161 HB2 LYS 25 HB2 LYS 25 1.198 5.628 -1.729 162 HB3 LYS 25 HB1 LYS 25 -0.143 5.220 -2.793 163 HG2 LYS 25 HG2 LYS 25 -1.333 7.229 -1.902 164 HG3 LYS 25 HG1 LYS 25 0.101 7.605 -0.937 165 HD2 LYS 25 HD2 LYS 25 1.442 7.678 -3.020 166 HD3 LYS 25 HD1 LYS 25 -0.026 7.400 -3.947 167 HE2 LYS 25 HE2 LYS 25 0.487 9.777 -2.153 168 HE3 LYS 25 HE1 LYS 25 0.651 9.771 -3.905 169 HZ1 LYS 25 HZ1 LYS 25 -1.452 10.704 -3.200 170 HZ2 LYS 25 HZ2 LYS 25 -1.872 9.271 -2.422 171 HZ3 LYS 25 HZ3 LYS 25 -1.703 9.305 -4.094 172 H CYS 26 HN CYS 26 -1.599 2.895 -1.758 173 HA CYS 26 HA CYS 26 0.057 0.813 -0.835 174 HB2 CYS 26 HB2 CYS 26 -1.997 0.963 -3.017 175 HB3 CYS 26 HB1 CYS 26 -1.238 -0.557 -2.510 176 H ASN 27 HN ASN 27 1.919 0.105 -1.597 177 HA ASN 27 HA ASN 27 2.893 1.271 -4.114 178 HB2 ASN 27 HB2 ASN 27 4.447 0.757 -1.551 179 HB3 ASN 27 HB1 ASN 27 5.182 1.245 -3.067 180 HD21 ASN 27 HD21 ASN 27 5.337 2.533 -0.523 181 HD22 ASN 27 HD22 ASN 27 4.663 4.118 -0.690 182 HA HYP 28 HA HYP 28 3.813 -2.952 -5.251 183 HB2 HYP 28 HB1 HYP 28 4.987 -2.753 -7.229 184 HB3 HYP 28 HB2 HYP 28 6.370 -2.030 -6.404 185 HG HYP 28 HG HYP 28 5.501 -0.200 -7.634 186 HD22 HYP 28 HD11 HYP 28 3.950 0.904 -5.786 187 HD23 HYP 28 HD12 HYP 28 5.624 0.497 -5.331 188 HD1 HYP 28 HD2 HYP 28 3.524 0.071 -8.073 189 HA HYP 29 HA HYP 29 6.165 -4.847 -2.082 190 HB2 HYP 29 HB1 HYP 29 6.464 -7.001 -2.756 191 HB3 HYP 29 HB2 HYP 29 7.672 -6.524 -3.953 192 HG HYP 29 HG HYP 29 5.787 -7.203 -5.295 193 HD22 HYP 29 HD11 HYP 29 4.788 -4.840 -5.812 194 HD23 HYP 29 HD12 HYP 29 6.568 -4.943 -5.882 195 HD1 HYP 29 HD2 HYP 29 4.292 -5.619 -3.602 196 H ASN 30 HN ASN 30 7.869 -4.231 -0.991 197 HA ASN 30 HA ASN 30 10.272 -3.382 -2.460 198 HB2 ASN 30 HB2 ASN 30 9.049 -2.092 -0.016 199 HB3 ASN 30 HB1 ASN 30 10.669 -1.739 -0.583 200 HD21 ASN 30 HD21 ASN 30 9.867 -1.864 -3.430 201 HD22 ASN 30 HD22 ASN 30 8.983 -0.427 -3.717 202 H GLN 31 HN GLN 31 8.973 -5.142 0.235 203 HA GLN 31 HA GLN 31 11.689 -5.685 1.142 204 HB2 GLN 31 HB2 GLN 31 9.063 -6.028 2.632 205 HB3 GLN 31 HB1 GLN 31 10.617 -6.554 3.242 206 HG2 GLN 31 HG2 GLN 31 10.146 -4.513 4.332 207 HG3 GLN 31 HG1 GLN 31 11.366 -4.143 3.123 208 HE21 GLN 31 HE21 GLN 31 7.933 -4.587 2.501 209 HE22 GLN 31 HE22 GLN 31 7.603 -2.976 2.019 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -12.184 -5.252 -2.566 2 H2 GLY 1 HT2 GLY 1 -12.246 -6.350 -1.302 3 H3 GLY 1 HT3 GLY 1 -12.986 -6.736 -2.779 4 HA2 GLY 1 HA1 GLY 1 -10.922 -7.914 -2.535 5 HA3 GLY 1 HA2 GLY 1 -10.807 -6.726 -3.827 6 H CYS 2 HN CYS 2 -8.980 -5.577 -3.777 7 HA CYS 2 HA CYS 2 -7.803 -4.968 -1.178 8 HB2 CYS 2 HB2 CYS 2 -5.569 -5.313 -2.271 9 HB3 CYS 2 HB1 CYS 2 -6.504 -6.783 -2.015 10 H ILE 3 HN ILE 3 -6.301 -3.160 -1.317 11 HA ILE 3 HA ILE 3 -7.410 -1.046 -2.900 12 HB ILE 3 HB ILE 3 -4.935 -0.969 -1.150 13 HG12 ILE 3 HG12 ILE 3 -7.765 -0.295 -0.431 14 HG13 ILE 3 HG11 ILE 3 -6.992 -1.811 0.018 15 HG21 ILE 3 HG21 ILE 3 -6.831 1.193 -2.097 16 HG22 ILE 3 HG22 ILE 3 -5.185 0.924 -2.674 17 HG23 ILE 3 HG23 ILE 3 -5.461 1.432 -1.009 18 HD11 ILE 3 HD11 ILE 3 -6.111 0.939 0.875 19 HD12 ILE 3 HD12 ILE 3 -5.337 -0.581 1.326 20 HD13 ILE 3 HD13 ILE 3 -6.978 -0.231 1.871 21 H ALA 4 HN ALA 4 -6.768 -0.521 -4.819 22 HA ALA 4 HA ALA 4 -4.660 -1.855 -6.185 23 HB1 ALA 4 HB1 ALA 4 -6.663 -1.064 -7.362 24 HB2 ALA 4 HB2 ALA 4 -5.206 -0.357 -8.059 25 HB3 ALA 4 HB3 ALA 4 -6.226 0.604 -6.990 26 H THR 5 HN THR 5 -2.611 -1.163 -6.625 27 HA THR 5 HA THR 5 -1.544 0.601 -4.770 28 HB THR 5 HB THR 5 0.573 0.316 -5.929 29 HG1 THR 5 HG1 THR 5 -0.738 -0.163 -8.045 30 HG21 THR 5 HG21 THR 5 -1.028 -2.157 -5.342 31 HG22 THR 5 HG22 THR 5 -0.082 -1.194 -4.203 32 HG23 THR 5 HG23 THR 5 0.727 -2.101 -5.475 33 H GLY 6 HN GLY 6 -0.846 2.558 -4.770 34 HA2 GLY 6 HA2 GLY 6 -0.402 4.675 -5.837 35 HA3 GLY 6 HA1 GLY 6 -1.606 4.255 -7.057 36 H SER 7 HN SER 7 -3.288 3.091 -4.844 37 HA SER 7 HA SER 7 -4.672 5.547 -4.201 38 HB2 SER 7 HB2 SER 7 -5.502 2.672 -3.786 39 HB3 SER 7 HB1 SER 7 -6.550 4.088 -3.696 40 HG SER 7 HG SER 7 -5.569 2.726 -5.849 41 H PHE 8 HN PHE 8 -5.706 5.668 -2.015 42 HA PHE 8 HA PHE 8 -3.689 5.917 -0.064 43 HB2 PHE 8 HB2 PHE 8 -5.491 7.500 -0.249 44 HB3 PHE 8 HB1 PHE 8 -6.684 6.251 0.063 45 HD1 PHE 8 HD1 PHE 8 -7.381 5.812 2.264 46 HD2 PHE 8 HD2 PHE 8 -3.883 8.133 1.579 47 HE1 PHE 8 HE1 PHE 8 -7.319 6.413 4.647 48 HE2 PHE 8 HE2 PHE 8 -3.814 8.736 3.958 49 HZ PHE 8 HZ PHE 8 -5.521 7.885 5.495 50 H CYS 9 HN CYS 9 -3.071 4.647 1.541 51 HA CYS 9 HA CYS 9 -4.864 2.538 2.501 52 HB2 CYS 9 HB2 CYS 9 -3.068 0.932 2.550 53 HB3 CYS 9 HB1 CYS 9 -3.271 1.532 0.906 54 H THR 10 HN THR 10 -4.389 1.866 4.620 55 HA THR 10 HA THR 10 -2.440 3.478 6.090 56 HB THR 10 HB THR 10 -3.986 3.149 8.086 57 HG1 THR 10 HG1 THR 10 -5.946 2.743 6.098 58 HG21 THR 10 HG21 THR 10 -3.808 5.312 6.949 59 HG22 THR 10 HG22 THR 10 -5.474 5.016 7.450 60 HG23 THR 10 HG23 THR 10 -5.007 4.800 5.764 61 H LEU 11 HN LEU 11 -3.454 0.383 5.139 62 HA LEU 11 HA LEU 11 -1.733 -0.904 7.110 63 HB2 LEU 11 HB2 LEU 11 -4.496 -1.817 6.298 64 HB3 LEU 11 HB1 LEU 11 -3.357 -2.803 7.185 65 HG LEU 11 HG LEU 11 -4.520 -0.206 8.193 66 HD11 LEU 11 HD11 LEU 11 -6.232 -1.927 8.005 67 HD12 LEU 11 HD12 LEU 11 -5.844 -1.607 9.695 68 HD13 LEU 11 HD13 LEU 11 -5.217 -3.053 8.904 69 HD21 LEU 11 HD21 LEU 11 -2.330 -0.690 9.146 70 HD22 LEU 11 HD22 LEU 11 -2.852 -2.321 9.555 71 HD23 LEU 11 HD23 LEU 11 -3.589 -0.936 10.356 72 H SER 12 HN SER 12 -0.497 -2.506 6.309 73 HA SER 12 HA SER 12 0.223 -2.496 3.645 74 HB2 SER 12 HB2 SER 12 1.502 -4.583 4.362 75 HB3 SER 12 HB1 SER 12 1.820 -3.087 5.250 76 HG SER 12 HG SER 12 1.109 -3.966 6.966 77 H LYS 13 HN LYS 13 -1.459 -5.055 5.378 78 HA LYS 13 HA LYS 13 -1.738 -6.694 3.133 79 HB2 LYS 13 HB2 LYS 13 -3.136 -8.145 4.438 80 HB3 LYS 13 HB1 LYS 13 -1.778 -7.601 5.397 81 HG2 LYS 13 HG2 LYS 13 -4.593 -6.524 5.608 82 HG3 LYS 13 HG1 LYS 13 -3.901 -7.755 6.653 83 HD2 LYS 13 HD2 LYS 13 -2.179 -6.096 7.363 84 HD3 LYS 13 HD1 LYS 13 -3.011 -4.884 6.385 85 HE2 LYS 13 HE2 LYS 13 -3.711 -4.653 8.667 86 HE3 LYS 13 HE1 LYS 13 -5.051 -5.276 7.711 87 HZ1 LYS 13 HZ1 LYS 13 -4.486 -7.527 8.544 88 HZ2 LYS 13 HZ2 LYS 13 -4.895 -6.443 9.769 89 HZ3 LYS 13 HZ3 LYS 13 -3.288 -6.828 9.514 90 H GLY 14 HN GLY 14 -3.416 -3.888 3.732 91 HA2 GLY 14 HA2 GLY 14 -5.945 -4.687 2.603 92 HA3 GLY 14 HA1 GLY 14 -5.413 -3.036 2.922 93 H CYS 15 HN CYS 15 -2.893 -3.574 1.486 94 HA CYS 15 HA CYS 15 -3.750 -2.690 -1.102 95 HB2 CYS 15 HB2 CYS 15 -1.016 -3.353 -0.030 96 HB3 CYS 15 HB1 CYS 15 -1.364 -2.470 -1.515 97 H CYS 16 HN CYS 16 -3.402 -3.757 -3.074 98 HA CYS 16 HA CYS 16 -3.704 -6.534 -3.104 99 HB2 CYS 16 HB2 CYS 16 -2.708 -4.734 -5.313 100 HB3 CYS 16 HB1 CYS 16 -3.318 -6.372 -5.522 101 H THR 17 HN THR 17 -0.749 -4.535 -3.571 102 HA THR 17 HA THR 17 0.964 -6.756 -4.013 103 HB THR 17 HB THR 17 2.672 -4.958 -3.545 104 HG1 THR 17 HG1 THR 17 1.873 -2.893 -3.248 105 HG21 THR 17 HG21 THR 17 1.930 -5.467 -5.837 106 HG22 THR 17 HG22 THR 17 2.141 -3.726 -5.634 107 HG23 THR 17 HG23 THR 17 0.527 -4.427 -5.608 108 H LYS 18 HN LYS 18 -0.607 -5.621 -1.315 109 HA LYS 18 HA LYS 18 -0.467 -5.816 0.906 110 HB2 LYS 18 HB2 LYS 18 1.776 -7.786 0.359 111 HB3 LYS 18 HB1 LYS 18 0.958 -7.575 1.901 112 HG2 LYS 18 HG2 LYS 18 -0.376 -8.478 -0.646 113 HG3 LYS 18 HG1 LYS 18 0.180 -9.548 0.642 114 HD2 LYS 18 HD2 LYS 18 -1.376 -8.564 2.193 115 HD3 LYS 18 HD1 LYS 18 -1.853 -7.345 1.006 116 HE2 LYS 18 HE2 LYS 18 -2.770 -9.064 -0.424 117 HE3 LYS 18 HE1 LYS 18 -2.232 -10.318 0.695 118 HZ1 LYS 18 HZ1 LYS 18 -4.583 -9.744 0.886 119 HZ2 LYS 18 HZ2 LYS 18 -4.182 -8.186 1.403 120 HZ3 LYS 18 HZ3 LYS 18 -3.743 -9.530 2.322 121 H ASN 19 HN ASN 19 1.453 -4.098 -0.793 122 HA ASN 19 HA ASN 19 3.208 -3.342 1.424 123 HB2 ASN 19 HB2 ASN 19 4.499 -3.970 -0.570 124 HB3 ASN 19 HB1 ASN 19 3.591 -2.809 -1.530 125 HD21 ASN 19 HD21 ASN 19 5.447 -1.647 -2.091 126 HD22 ASN 19 HD22 ASN 19 6.271 -0.657 -0.948 127 H CYS 20 HN CYS 20 2.400 -1.789 2.502 128 HA CYS 20 HA CYS 20 0.980 0.365 1.092 129 HB2 CYS 20 HB2 CYS 20 -0.463 -0.742 2.722 130 HB3 CYS 20 HB1 CYS 20 0.770 -0.548 3.968 131 H GLY 21 HN GLY 21 1.930 2.299 1.138 132 HA2 GLY 21 HA2 GLY 21 4.522 2.420 2.477 133 HA3 GLY 21 HA1 GLY 21 3.918 3.488 1.224 134 H TRP 22 HN TRP 22 5.199 4.311 3.478 135 HA TRP 22 HA TRP 22 3.328 5.349 5.361 136 HB2 TRP 22 HB2 TRP 22 5.436 6.734 5.965 137 HB3 TRP 22 HB1 TRP 22 5.438 5.002 6.292 138 HD1 TRP 22 HD1 TRP 22 6.522 7.248 3.288 139 HE1 TRP 22 HE1 TRP 22 8.787 6.363 2.424 140 HE3 TRP 22 HE3 TRP 22 7.114 3.331 6.501 141 HZ2 TRP 22 HZ2 TRP 22 10.581 4.273 3.057 142 HZ3 TRP 22 HZ3 TRP 22 9.124 1.935 6.306 143 HH2 TRP 22 HH2 TRP 22 10.819 2.399 4.614 144 H ASN 23 HN ASN 23 3.851 5.983 2.278 145 HA ASN 23 HA ASN 23 3.415 8.856 2.313 146 HB2 ASN 23 HB2 ASN 23 3.520 8.675 -0.126 147 HB3 ASN 23 HB1 ASN 23 4.894 7.836 0.575 148 HD21 ASN 23 HD21 ASN 23 3.712 7.522 -2.030 149 HD22 ASN 23 HD22 ASN 23 3.234 5.876 -2.192 150 H PHE 24 HN PHE 24 1.725 6.225 2.984 151 HA PHE 24 HA PHE 24 -0.368 5.645 3.202 152 HB2 PHE 24 HB2 PHE 24 -0.825 8.576 2.691 153 HB3 PHE 24 HB1 PHE 24 -2.158 7.465 2.985 154 HD1 PHE 24 HD1 PHE 24 0.899 8.914 4.466 155 HD2 PHE 24 HD2 PHE 24 -2.634 6.653 5.142 156 HE1 PHE 24 HE1 PHE 24 1.253 9.087 6.889 157 HE2 PHE 24 HE2 PHE 24 -2.288 6.830 7.576 158 HZ PHE 24 HZ PHE 24 -0.339 8.048 8.449 159 H LYS 25 HN LYS 25 0.938 5.431 0.641 160 HA LYS 25 HA LYS 25 -1.499 4.857 -0.879 161 HB2 LYS 25 HB2 LYS 25 1.196 5.707 -1.848 162 HB3 LYS 25 HB1 LYS 25 -0.019 5.010 -2.911 163 HG2 LYS 25 HG2 LYS 25 -1.493 6.912 -2.383 164 HG3 LYS 25 HG1 LYS 25 -0.200 7.603 -1.392 165 HD2 LYS 25 HD2 LYS 25 1.254 7.747 -3.303 166 HD3 LYS 25 HD1 LYS 25 0.069 6.920 -4.314 167 HE2 LYS 25 HE2 LYS 25 -0.289 9.585 -2.982 168 HE3 LYS 25 HE1 LYS 25 0.063 9.338 -4.695 169 HZ1 LYS 25 HZ1 LYS 25 -2.398 8.520 -3.239 170 HZ2 LYS 25 HZ2 LYS 25 -2.069 8.075 -4.826 171 HZ3 LYS 25 HZ3 LYS 25 -2.271 9.700 -4.433 172 H CYS 26 HN CYS 26 -1.547 2.870 -1.809 173 HA CYS 26 HA CYS 26 0.231 0.873 -0.820 174 HB2 CYS 26 HB2 CYS 26 -1.865 0.828 -2.980 175 HB3 CYS 26 HB1 CYS 26 -0.995 -0.613 -2.433 176 H ASN 27 HN ASN 27 1.994 -0.002 -1.809 177 HA ASN 27 HA ASN 27 2.729 1.155 -4.409 178 HB2 ASN 27 HB2 ASN 27 4.566 0.790 -2.030 179 HB3 ASN 27 HB1 ASN 27 5.083 1.329 -3.623 180 HD21 ASN 27 HD21 ASN 27 3.822 2.222 -0.617 181 HD22 ASN 27 HD22 ASN 27 3.614 3.905 -0.884 182 HA HYP 28 HA HYP 28 3.998 -3.148 -4.952 183 HB2 HYP 28 HB1 HYP 28 4.770 -3.290 -7.158 184 HB3 HYP 28 HB2 HYP 28 5.934 -1.974 -6.924 185 HG HYP 28 HG HYP 28 4.161 -0.995 -8.198 186 HD22 HYP 28 HD11 HYP 28 2.880 0.152 -6.130 187 HD23 HYP 28 HD12 HYP 28 4.613 0.484 -6.359 188 HD1 HYP 28 HD2 HYP 28 2.235 -1.556 -8.030 189 HA HYP 29 HA HYP 29 7.694 -3.498 -2.570 190 HB2 HYP 29 HB1 HYP 29 7.259 -5.669 -1.963 191 HB3 HYP 29 HB2 HYP 29 8.284 -6.161 -3.315 192 HG HYP 29 HG HYP 29 6.320 -7.073 -4.152 193 HD22 HYP 29 HD11 HYP 29 4.859 -5.015 -5.071 194 HD23 HYP 29 HD12 HYP 29 6.512 -5.247 -5.699 195 HD1 HYP 29 HD2 HYP 29 4.335 -6.030 -3.552 196 H ASN 30 HN ASN 30 8.951 -2.097 -3.774 197 HA ASN 30 HA ASN 30 10.538 -3.287 -5.960 198 HB2 ASN 30 HB2 ASN 30 9.054 -1.318 -6.520 199 HB3 ASN 30 HB1 ASN 30 10.079 -0.341 -5.479 200 HD21 ASN 30 HD21 ASN 30 10.797 0.979 -7.121 201 HD22 ASN 30 HD22 ASN 30 11.845 0.423 -8.380 202 H GLN 31 HN GLN 31 10.646 -1.717 -2.899 203 HA GLN 31 HA GLN 31 13.462 -1.130 -3.081 204 HB2 GLN 31 HB2 GLN 31 11.622 -0.978 -0.680 205 HB3 GLN 31 HB1 GLN 31 13.228 -0.284 -0.801 206 HG2 GLN 31 HG2 GLN 31 10.818 0.562 -2.409 207 HG3 GLN 31 HG1 GLN 31 11.495 1.424 -1.034 208 HE21 GLN 31 HE21 GLN 31 11.076 2.254 -3.807 209 HE22 GLN 31 HE22 GLN 31 12.616 2.734 -4.405 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -12.503 -6.029 -4.826 2 H2 GLY 1 HT2 GLY 1 -10.945 -5.410 -5.031 3 H3 GLY 1 HT3 GLY 1 -12.033 -4.624 -4.025 4 HA2 GLY 1 HA1 GLY 1 -12.048 -6.472 -2.499 5 HA3 GLY 1 HA2 GLY 1 -10.934 -7.316 -3.568 6 H CYS 2 HN CYS 2 -8.794 -6.599 -3.725 7 HA CYS 2 HA CYS 2 -7.795 -5.383 -1.347 8 HB2 CYS 2 HB2 CYS 2 -5.571 -5.652 -2.470 9 HB3 CYS 2 HB1 CYS 2 -6.497 -7.144 -2.390 10 H ILE 3 HN ILE 3 -6.403 -3.470 -1.353 11 HA ILE 3 HA ILE 3 -7.630 -1.333 -2.803 12 HB ILE 3 HB ILE 3 -5.180 -1.249 -0.995 13 HG12 ILE 3 HG12 ILE 3 -8.068 -0.651 -0.347 14 HG13 ILE 3 HG11 ILE 3 -7.221 -2.112 0.149 15 HG21 ILE 3 HG21 ILE 3 -5.352 0.682 -2.466 16 HG22 ILE 3 HG22 ILE 3 -5.706 1.149 -0.801 17 HG23 ILE 3 HG23 ILE 3 -7.021 0.946 -1.960 18 HD11 ILE 3 HD11 ILE 3 -7.374 -0.510 1.975 19 HD12 ILE 3 HD12 ILE 3 -6.555 0.707 0.992 20 HD13 ILE 3 HD13 ILE 3 -5.692 -0.746 1.495 21 H ALA 4 HN ALA 4 -7.103 -0.761 -4.723 22 HA ALA 4 HA ALA 4 -5.039 -1.854 -6.256 23 HB1 ALA 4 HB1 ALA 4 -6.572 0.703 -6.732 24 HB2 ALA 4 HB2 ALA 4 -7.079 -0.911 -7.230 25 HB3 ALA 4 HB3 ALA 4 -5.638 -0.181 -7.939 26 H THR 5 HN THR 5 -3.031 -1.115 -6.849 27 HA THR 5 HA THR 5 -1.694 0.267 -4.900 28 HB THR 5 HB THR 5 0.208 0.268 -6.456 29 HG1 THR 5 HG1 THR 5 -0.803 0.181 -8.486 30 HG21 THR 5 HG21 THR 5 -0.162 -1.488 -4.862 31 HG22 THR 5 HG22 THR 5 0.445 -2.176 -6.367 32 HG23 THR 5 HG23 THR 5 -1.269 -2.303 -5.965 33 H GLY 6 HN GLY 6 -0.849 2.266 -4.712 34 HA2 GLY 6 HA2 GLY 6 -0.470 4.478 -5.397 35 HA3 GLY 6 HA1 GLY 6 -1.608 4.235 -6.715 36 H SER 7 HN SER 7 -3.522 2.941 -4.715 37 HA SER 7 HA SER 7 -4.833 5.403 -4.066 38 HB2 SER 7 HB2 SER 7 -5.624 2.538 -3.475 39 HB3 SER 7 HB1 SER 7 -6.657 3.945 -3.224 40 HG SER 7 HG SER 7 -5.597 3.017 -5.695 41 H PHE 8 HN PHE 8 -5.728 5.765 -1.889 42 HA PHE 8 HA PHE 8 -3.675 5.958 0.029 43 HB2 PHE 8 HB2 PHE 8 -5.463 7.601 -0.085 44 HB3 PHE 8 HB1 PHE 8 -6.666 6.372 0.278 45 HD1 PHE 8 HD1 PHE 8 -4.000 8.481 1.653 46 HD2 PHE 8 HD2 PHE 8 -6.996 5.600 2.556 47 HE1 PHE 8 HE1 PHE 8 -3.784 9.006 4.044 48 HE2 PHE 8 HE2 PHE 8 -6.785 6.122 4.943 49 HZ PHE 8 HZ PHE 8 -5.176 7.828 5.693 50 H CYS 9 HN CYS 9 -3.034 4.583 1.521 51 HA CYS 9 HA CYS 9 -4.946 2.601 2.531 52 HB2 CYS 9 HB2 CYS 9 -3.069 0.953 2.550 53 HB3 CYS 9 HB1 CYS 9 -3.637 1.409 0.943 54 H THR 10 HN THR 10 -4.739 2.098 4.661 55 HA THR 10 HA THR 10 -2.663 3.498 6.190 56 HB THR 10 HB THR 10 -4.235 3.052 8.152 57 HG1 THR 10 HG1 THR 10 -5.479 1.505 6.593 58 HG21 THR 10 HG21 THR 10 -5.724 4.924 7.600 59 HG22 THR 10 HG22 THR 10 -5.257 4.792 5.904 60 HG23 THR 10 HG23 THR 10 -4.064 5.265 7.112 61 H LEU 11 HN LEU 11 -3.751 0.491 5.103 62 HA LEU 11 HA LEU 11 -2.079 -0.942 7.025 63 HB2 LEU 11 HB2 LEU 11 -4.739 -1.814 5.891 64 HB3 LEU 11 HB1 LEU 11 -3.698 -2.798 6.888 65 HG LEU 11 HG LEU 11 -5.049 -0.256 7.803 66 HD11 LEU 11 HD11 LEU 11 -6.487 -1.745 9.108 67 HD12 LEU 11 HD12 LEU 11 -5.723 -3.141 8.347 68 HD13 LEU 11 HD13 LEU 11 -6.668 -2.013 7.376 69 HD21 LEU 11 HD21 LEU 11 -2.966 -0.701 9.000 70 HD22 LEU 11 HD22 LEU 11 -3.496 -2.351 9.327 71 HD23 LEU 11 HD23 LEU 11 -4.359 -0.990 10.042 72 H SER 12 HN SER 12 -0.671 -2.306 6.061 73 HA SER 12 HA SER 12 -0.272 -2.153 3.276 74 HB2 SER 12 HB2 SER 12 1.435 -3.984 3.871 75 HB3 SER 12 HB1 SER 12 1.663 -2.371 4.558 76 HG SER 12 HG SER 12 1.516 -3.235 6.434 77 H LYS 13 HN LYS 13 -1.767 -4.424 5.393 78 HA LYS 13 HA LYS 13 -1.933 -6.608 3.636 79 HB2 LYS 13 HB2 LYS 13 -3.691 -7.476 5.148 80 HB3 LYS 13 HB1 LYS 13 -2.221 -6.990 5.963 81 HG2 LYS 13 HG2 LYS 13 -3.975 -6.281 7.362 82 HG3 LYS 13 HG1 LYS 13 -3.417 -4.827 6.546 83 HD2 LYS 13 HD2 LYS 13 -5.818 -4.802 6.653 84 HD3 LYS 13 HD1 LYS 13 -5.333 -5.056 4.978 85 HE2 LYS 13 HE2 LYS 13 -5.758 -7.440 5.191 86 HE3 LYS 13 HE1 LYS 13 -6.161 -7.227 6.894 87 HZ1 LYS 13 HZ1 LYS 13 -8.119 -7.386 5.558 88 HZ2 LYS 13 HZ2 LYS 13 -7.636 -6.110 4.584 89 HZ3 LYS 13 HZ3 LYS 13 -8.026 -5.835 6.210 90 H GLY 14 HN GLY 14 -3.640 -3.679 3.563 91 HA2 GLY 14 HA2 GLY 14 -6.013 -4.763 2.336 92 HA3 GLY 14 HA1 GLY 14 -5.619 -3.059 2.540 93 H CYS 15 HN CYS 15 -2.996 -3.419 1.336 94 HA CYS 15 HA CYS 15 -3.738 -2.705 -1.304 95 HB2 CYS 15 HB2 CYS 15 -1.051 -3.254 -0.079 96 HB3 CYS 15 HB1 CYS 15 -1.330 -2.470 -1.633 97 H CYS 16 HN CYS 16 -3.386 -3.748 -3.227 98 HA CYS 16 HA CYS 16 -3.516 -6.549 -3.264 99 HB2 CYS 16 HB2 CYS 16 -2.696 -4.702 -5.512 100 HB3 CYS 16 HB1 CYS 16 -3.284 -6.352 -5.684 101 H THR 17 HN THR 17 -0.740 -4.316 -3.547 102 HA THR 17 HA THR 17 1.142 -6.355 -4.173 103 HB THR 17 HB THR 17 2.633 -4.392 -3.436 104 HG1 THR 17 HG1 THR 17 1.667 -2.581 -3.050 105 HG21 THR 17 HG21 THR 17 2.322 -3.321 -5.631 106 HG22 THR 17 HG22 THR 17 0.826 -4.236 -5.855 107 HG23 THR 17 HG23 THR 17 2.377 -5.080 -5.766 108 H LYS 18 HN LYS 18 -0.524 -5.826 -1.414 109 HA LYS 18 HA LYS 18 -0.316 -6.268 0.785 110 HB2 LYS 18 HB2 LYS 18 2.203 -7.750 0.015 111 HB3 LYS 18 HB1 LYS 18 1.320 -7.928 1.519 112 HG2 LYS 18 HG2 LYS 18 0.399 -8.721 -1.237 113 HG3 LYS 18 HG1 LYS 18 0.854 -9.795 0.084 114 HD2 LYS 18 HD2 LYS 18 -1.048 -8.872 1.398 115 HD3 LYS 18 HD1 LYS 18 -1.521 -7.944 -0.026 116 HE2 LYS 18 HE2 LYS 18 -1.672 -10.071 -1.295 117 HE3 LYS 18 HE1 LYS 18 -1.354 -10.935 0.208 118 HZ1 LYS 18 HZ1 LYS 18 -3.659 -9.166 -0.337 119 HZ2 LYS 18 HZ2 LYS 18 -3.386 -9.948 1.137 120 HZ3 LYS 18 HZ3 LYS 18 -3.713 -10.838 -0.238 121 H ASN 19 HN ASN 19 1.392 -4.035 -0.550 122 HA ASN 19 HA ASN 19 2.831 -3.392 1.900 123 HB2 ASN 19 HB2 ASN 19 4.516 -4.182 0.286 124 HB3 ASN 19 HB1 ASN 19 3.937 -3.020 -0.902 125 HD21 ASN 19 HD21 ASN 19 5.996 -2.010 -1.049 126 HD22 ASN 19 HD22 ASN 19 6.584 -1.016 0.216 127 H CYS 20 HN CYS 20 2.711 -1.372 2.530 128 HA CYS 20 HA CYS 20 1.491 0.682 0.891 129 HB2 CYS 20 HB2 CYS 20 -0.356 -0.316 2.192 130 HB3 CYS 20 HB1 CYS 20 0.600 -0.182 3.666 131 H GLY 21 HN GLY 21 2.558 2.628 1.377 132 HA2 GLY 21 HA2 GLY 21 4.731 2.223 3.320 133 HA3 GLY 21 HA1 GLY 21 4.815 3.266 1.913 134 H TRP 22 HN TRP 22 5.695 4.598 3.729 135 HA TRP 22 HA TRP 22 3.982 5.876 5.580 136 HB2 TRP 22 HB2 TRP 22 5.867 7.551 5.595 137 HB3 TRP 22 HB1 TRP 22 6.363 5.991 6.138 138 HD1 TRP 22 HD1 TRP 22 7.742 4.524 4.066 139 HE1 TRP 22 HE1 TRP 22 9.358 5.480 2.293 140 HE3 TRP 22 HE3 TRP 22 6.396 9.232 4.453 141 HZ2 TRP 22 HZ2 TRP 22 9.973 8.045 1.202 142 HZ3 TRP 22 HZ3 TRP 22 7.509 11.029 3.025 143 HH2 TRP 22 HH2 TRP 22 9.275 10.390 1.438 144 H ASN 23 HN ASN 23 4.157 6.029 2.313 145 HA ASN 23 HA ASN 23 3.485 8.822 1.987 146 HB2 ASN 23 HB2 ASN 23 3.450 8.303 -0.403 147 HB3 ASN 23 HB1 ASN 23 4.930 7.694 0.322 148 HD21 ASN 23 HD21 ASN 23 3.781 6.868 -2.126 149 HD22 ASN 23 HD22 ASN 23 3.391 5.189 -1.987 150 H PHE 24 HN PHE 24 1.959 6.035 2.898 151 HA PHE 24 HA PHE 24 -0.134 5.318 3.122 152 HB2 PHE 24 HB2 PHE 24 -0.646 8.273 2.848 153 HB3 PHE 24 HB1 PHE 24 -1.967 7.134 3.111 154 HD1 PHE 24 HD1 PHE 24 -2.370 6.202 5.219 155 HD2 PHE 24 HD2 PHE 24 1.160 8.474 4.568 156 HE1 PHE 24 HE1 PHE 24 -1.929 6.201 7.633 157 HE2 PHE 24 HE2 PHE 24 1.610 8.479 6.980 158 HZ PHE 24 HZ PHE 24 0.062 7.337 8.519 159 H LYS 25 HN LYS 25 1.027 5.057 0.678 160 HA LYS 25 HA LYS 25 -1.337 4.771 -1.004 161 HB2 LYS 25 HB2 LYS 25 1.397 5.697 -1.719 162 HB3 LYS 25 HB1 LYS 25 0.238 5.179 -2.947 163 HG2 LYS 25 HG2 LYS 25 -1.179 7.078 -2.397 164 HG3 LYS 25 HG1 LYS 25 -0.146 7.495 -1.029 165 HD2 LYS 25 HD2 LYS 25 0.349 9.000 -2.851 166 HD3 LYS 25 HD1 LYS 25 1.713 7.913 -2.621 167 HE2 LYS 25 HE2 LYS 25 1.353 8.133 -4.978 168 HE3 LYS 25 HE1 LYS 25 0.811 6.529 -4.512 169 HZ1 LYS 25 HZ1 LYS 25 -1.469 7.299 -4.548 170 HZ2 LYS 25 HZ2 LYS 25 -0.737 7.623 -6.024 171 HZ3 LYS 25 HZ3 LYS 25 -0.973 8.868 -4.913 172 H CYS 26 HN CYS 26 -1.340 2.808 -2.031 173 HA CYS 26 HA CYS 26 0.204 0.749 -0.917 174 HB2 CYS 26 HB2 CYS 26 -1.640 0.947 -3.226 175 HB3 CYS 26 HB1 CYS 26 -0.928 -0.618 -2.767 176 H ASN 27 HN ASN 27 2.080 -0.019 -1.453 177 HA ASN 27 HA ASN 27 3.364 0.894 -3.940 178 HB2 ASN 27 HB2 ASN 27 4.645 0.491 -1.205 179 HB3 ASN 27 HB1 ASN 27 5.514 0.895 -2.673 180 HD21 ASN 27 HD21 ASN 27 5.451 2.303 -0.177 181 HD22 ASN 27 HD22 ASN 27 4.817 3.878 -0.470 182 HA HYP 28 HA HYP 28 4.309 -3.545 -4.085 183 HB2 HYP 28 HB1 HYP 28 5.137 -3.741 -6.226 184 HB3 HYP 28 HB2 HYP 28 6.672 -3.018 -5.738 185 HG HYP 28 HG HYP 28 5.831 -1.345 -7.149 186 HD22 HYP 28 HD11 HYP 28 4.458 0.174 -5.443 187 HD23 HYP 28 HD12 HYP 28 6.145 -0.223 -5.051 188 HD1 HYP 28 HD2 HYP 28 3.545 -0.787 -6.875 189 HA HYP 29 HA HYP 29 7.513 -4.399 -1.215 190 HB2 HYP 29 HB1 HYP 29 7.626 -6.699 -1.047 191 HB3 HYP 29 HB2 HYP 29 8.144 -6.879 -2.730 192 HG HYP 29 HG HYP 29 5.869 -7.651 -2.715 193 HD22 HYP 29 HD11 HYP 29 4.745 -5.459 -3.673 194 HD23 HYP 29 HD12 HYP 29 6.218 -6.025 -4.496 195 HD1 HYP 29 HD2 HYP 29 4.383 -5.920 -1.849 196 H ASN 30 HN ASN 30 9.494 -3.701 -1.063 197 HA ASN 30 HA ASN 30 11.069 -3.150 -3.426 198 HB2 ASN 30 HB2 ASN 30 11.747 -2.720 -0.504 199 HB3 ASN 30 HB1 ASN 30 12.578 -2.011 -1.886 200 HD21 ASN 30 HD21 ASN 30 11.560 -0.341 -3.034 201 HD22 ASN 30 HD22 ASN 30 10.203 0.507 -2.394 202 H GLN 31 HN GLN 31 10.985 -5.263 -0.744 203 HA GLN 31 HA GLN 31 12.894 -7.065 -1.967 204 HB2 GLN 31 HB2 GLN 31 12.846 -6.215 0.947 205 HB3 GLN 31 HB1 GLN 31 13.691 -7.635 0.366 206 HG2 GLN 31 HG2 GLN 31 14.305 -4.810 -0.495 207 HG3 GLN 31 HG1 GLN 31 15.149 -5.684 0.782 208 HE21 GLN 31 HE21 GLN 31 14.631 -5.419 -2.618 209 HE22 GLN 31 HE22 GLN 31 15.951 -6.411 -3.114
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