NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649966 | 6rz1 | 34412 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 PHE 1 HT1 PHE 1 61.522 -0.593 0.508 2 H2 PHE 1 HT2 PHE 1 61.360 -2.284 0.467 3 H3 PHE 1 HT3 PHE 1 62.674 -1.571 1.275 4 HA PHE 1 HA PHE 1 59.997 -2.048 2.152 5 HB2 PHE 1 HB2 PHE 1 62.643 -1.417 3.516 6 HB3 PHE 1 HB1 PHE 1 61.146 -1.873 4.365 7 HD1 PHE 1 HD1 PHE 1 63.925 -3.056 2.250 8 HD2 PHE 1 HD2 PHE 1 60.172 -4.139 4.090 9 HE1 PHE 1 HE1 PHE 1 64.423 -5.464 1.850 10 HE2 PHE 1 HE2 PHE 1 60.673 -6.547 3.690 11 HZ PHE 1 HZ PHE 1 62.792 -7.209 2.560 12 H LEU 2 HN LEU 2 60.540 0.465 0.602 13 HA LEU 2 HA LEU 2 60.517 2.653 2.513 14 HB2 LEU 2 HB2 LEU 2 59.852 2.392 -0.441 15 HB3 LEU 2 HB1 LEU 2 59.621 3.926 0.432 16 HG LEU 2 HG LEU 2 62.011 3.884 1.121 17 HD11 LEU 2 HD11 LEU 2 62.601 1.583 1.181 18 HD12 LEU 2 HD12 LEU 2 63.475 2.207 -0.235 19 HD13 LEU 2 HD13 LEU 2 61.970 1.283 -0.456 20 HD21 LEU 2 HD21 LEU 2 61.327 5.055 -0.951 21 HD22 LEU 2 HD22 LEU 2 61.545 3.550 -1.879 22 HD23 LEU 2 HD23 LEU 2 62.950 4.349 -1.133 23 H GLY 3 HN GLY 3 58.018 0.895 0.651 24 HA2 GLY 3 HA1 GLY 3 55.781 0.565 1.204 25 HA3 GLY 3 HA2 GLY 3 56.039 1.445 2.722 26 H ALA 4 HN ALA 4 56.937 3.898 1.817 27 HA ALA 4 HA ALA 4 54.407 5.069 0.948 28 HB1 ALA 4 HB1 ALA 4 55.763 6.257 2.551 29 HB2 ALA 4 HB2 ALA 4 55.724 7.205 1.043 30 HB3 ALA 4 HB3 ALA 4 57.162 6.239 1.452 31 H LEU 5 HN LEU 5 53.736 5.399 -1.060 32 HA LEU 5 HA LEU 5 55.542 4.852 -3.315 33 HB2 LEU 5 HB2 LEU 5 52.618 5.633 -3.042 34 HB3 LEU 5 HB1 LEU 5 53.417 5.563 -4.630 35 HG LEU 5 HG LEU 5 54.015 3.209 -4.261 36 HD11 LEU 5 HD11 LEU 5 54.367 3.020 -1.917 37 HD12 LEU 5 HD12 LEU 5 52.888 2.078 -2.204 38 HD13 LEU 5 HD13 LEU 5 52.778 3.722 -1.529 39 HD21 LEU 5 HD21 LEU 5 51.083 3.738 -3.599 40 HD22 LEU 5 HD22 LEU 5 51.748 2.262 -4.340 41 HD23 LEU 5 HD23 LEU 5 51.787 3.801 -5.232 42 H ILE 6 HN ILE 6 56.123 7.130 -1.507 43 HA ILE 6 HA ILE 6 56.388 9.478 -1.533 44 HB ILE 6 HB ILE 6 58.306 8.174 -2.913 45 HG12 ILE 6 HG12 ILE 6 59.259 10.632 -3.460 46 HG13 ILE 6 HG11 ILE 6 57.825 11.148 -2.548 47 HG21 ILE 6 HG21 ILE 6 56.757 8.560 -5.086 48 HG22 ILE 6 HG22 ILE 6 58.528 8.578 -5.187 49 HG23 ILE 6 HG23 ILE 6 57.631 10.107 -5.133 50 HD11 ILE 6 HD1 ILE 6 58.606 9.441 -0.741 51 HD12 ILE 6 HD2 ILE 6 59.522 10.957 -0.902 52 HD13 ILE 6 HD3 ILE 6 60.159 9.452 -1.606 53 H LYS 7 HN LYS 7 56.725 11.162 -3.935 54 HA LYS 7 HA LYS 7 55.263 12.730 -4.848 55 HB2 LYS 7 HB2 LYS 7 54.533 10.539 -6.200 56 HB3 LYS 7 HB1 LYS 7 53.111 10.588 -5.135 57 HG2 LYS 7 HG2 LYS 7 52.370 11.854 -6.977 58 HG3 LYS 7 HG1 LYS 7 52.961 13.126 -5.888 59 HD2 LYS 7 HD2 LYS 7 55.084 13.243 -7.120 60 HD3 LYS 7 HD1 LYS 7 54.599 11.869 -8.141 61 HE2 LYS 7 HE2 LYS 7 53.167 14.557 -7.982 62 HE3 LYS 7 HE1 LYS 7 54.223 14.018 -9.310 63 HZ1 LYS 7 HZ1 LYS 7 52.306 13.266 -10.171 64 HZ2 LYS 7 HZ2 LYS 7 51.495 13.258 -8.677 65 HZ3 LYS 7 HZ3 LYS 7 52.510 11.964 -9.102 66 H GLY 8 HN GLY 8 55.649 11.724 -2.366 67 HA2 GLY 8 HA1 GLY 8 54.989 11.470 -0.267 68 HA3 GLY 8 HA2 GLY 8 54.376 13.154 -0.479 69 H ALA 9 HN ALA 9 53.612 9.724 -0.520 70 HA ALA 9 HA ALA 9 51.627 8.570 -0.301 71 HB1 ALA 9 HB1 ALA 9 49.914 9.602 1.177 72 HB2 ALA 9 HB2 ALA 9 50.813 11.136 1.113 73 HB3 ALA 9 HB3 ALA 9 51.552 9.700 1.862 74 H ILE 10 HN ILE 10 51.584 8.861 -2.696 75 HA ILE 10 HA ILE 10 50.345 9.188 -4.608 76 HB ILE 10 HB ILE 10 48.225 9.579 -2.487 77 HG12 ILE 10 HG12 ILE 10 47.085 7.842 -3.835 78 HG13 ILE 10 HG11 ILE 10 48.373 7.948 -5.058 79 HG21 ILE 10 HG21 ILE 10 47.528 11.432 -3.802 80 HG22 ILE 10 HG22 ILE 10 46.527 10.073 -4.363 81 HG23 ILE 10 HG23 ILE 10 47.925 10.606 -5.328 82 HD11 ILE 10 HD1 ILE 10 48.946 7.325 -2.133 83 HD12 ILE 10 HD2 ILE 10 50.023 7.106 -3.534 84 HD13 ILE 10 HD3 ILE 10 48.600 6.057 -3.333 85 H HIS 11 HN HIS 11 49.265 11.908 -2.506 86 HA HIS 11 HA HIS 11 50.883 13.800 -4.068 87 HB2 HIS 11 HB2 HIS 11 48.893 13.530 -5.530 88 HB3 HIS 11 HB1 HIS 11 47.840 13.949 -4.157 89 HD1 HIS 11 HD1 HIS 11 50.999 15.492 -5.745 90 HD2 HIS 11 HD2 HIS 11 47.278 16.643 -4.164 91 HE1 HIS 11 HE1 HIS 11 50.809 18.027 -6.013 92 H GLY 12 HN GLY 12 49.623 12.633 -1.328 93 HA2 GLY 12 HA1 GLY 12 50.414 13.972 0.684 94 HA3 GLY 12 HA2 GLY 12 49.476 15.328 0.028 95 H GLY 13 HN GLY 13 47.976 12.365 -0.638 96 HA2 GLY 13 HA1 GLY 13 46.137 11.299 0.287 97 HA3 GLY 13 HA2 GLY 13 46.668 11.891 1.875 98 H ARG 14 HN ARG 14 45.258 13.145 -1.173 99 HA ARG 14 HA ARG 14 42.948 14.207 0.233 100 HB2 ARG 14 HB2 ARG 14 44.554 15.931 0.915 101 HB3 ARG 14 HB1 ARG 14 45.071 16.153 -0.770 102 HG2 ARG 14 HG2 ARG 14 43.469 17.919 -0.018 103 HG3 ARG 14 HG1 ARG 14 42.840 16.983 -1.388 104 HD2 ARG 14 HD2 ARG 14 41.266 15.842 -0.047 105 HD3 ARG 14 HD1 ARG 14 42.173 16.149 1.455 106 HE ARG 14 HE ARG 14 40.224 17.941 0.236 107 HH11 ARG 14 HH11 ARG 14 41.265 20.232 0.357 108 HH12 ARG 14 HH12 ARG 14 41.820 20.621 1.950 109 HH21 ARG 14 HH21 ARG 14 41.728 17.341 3.070 110 HH22 ARG 14 HH22 ARG 14 42.082 18.984 3.486 111 H PHE 15 HN PHE 15 44.970 13.725 -2.548 112 HA PHE 15 HA PHE 15 43.358 14.903 -4.575 113 HB2 PHE 15 HB2 PHE 15 45.623 14.052 -4.997 114 HB3 PHE 15 HB1 PHE 15 45.077 12.390 -4.676 115 HD1 PHE 15 HD1 PHE 15 44.608 15.336 -6.943 116 HD2 PHE 15 HD2 PHE 15 43.972 11.104 -6.375 117 HE1 PHE 15 HE1 PHE 15 43.886 15.126 -9.318 118 HE2 PHE 15 HE2 PHE 15 43.250 10.894 -8.750 119 HZ PHE 15 HZ PHE 15 43.156 12.913 -10.206 120 H ILE 16 HN ILE 16 43.400 11.521 -3.349 121 HA ILE 16 HA ILE 16 41.097 10.747 -4.903 122 HB ILE 16 HB ILE 16 42.000 9.453 -2.295 123 HG12 ILE 16 HG12 ILE 16 43.092 9.084 -5.121 124 HG13 ILE 16 HG11 ILE 16 43.967 9.805 -3.750 125 HG21 ILE 16 HG21 ILE 16 40.997 7.474 -3.193 126 HG22 ILE 16 HG22 ILE 16 40.865 8.186 -4.819 127 HG23 ILE 16 HG23 ILE 16 39.824 8.774 -3.501 128 HD11 ILE 16 HD1 ILE 16 43.093 6.920 -4.130 129 HD12 ILE 16 HD2 ILE 16 43.489 7.562 -2.517 130 HD13 ILE 16 HD3 ILE 16 44.721 7.553 -3.799 131 H HIS 17 HN HIS 17 41.206 10.710 -1.304 132 HA HIS 17 HA HIS 17 39.065 12.642 -1.025 133 HB2 HIS 17 HB2 HIS 17 38.383 9.686 -1.064 134 HB3 HIS 17 HB1 HIS 17 37.475 10.786 -0.002 135 HD1 HIS 17 HD1 HIS 17 36.905 13.214 -1.547 136 HD2 HIS 17 HD2 HIS 17 37.068 9.480 -3.470 137 HE1 HIS 17 HE1 HIS 17 35.557 13.410 -3.708 138 H GLY 18 HN GLY 18 40.899 13.280 0.324 139 HA2 GLY 18 HA1 GLY 18 41.866 13.479 2.426 140 HA3 GLY 18 HA2 GLY 18 40.479 12.592 3.066 141 H MET 19 HN MET 19 42.642 11.270 0.634 142 HA MET 19 HA MET 19 44.070 9.505 0.929 143 HB2 MET 19 HB2 MET 19 44.812 10.965 2.989 144 HB3 MET 19 HB1 MET 19 44.081 9.621 3.886 145 HG2 MET 19 HG2 MET 19 45.541 8.044 2.511 146 HG3 MET 19 HG1 MET 19 46.389 9.486 1.904 147 HE1 MET 19 HE1 MET 19 47.587 7.045 3.296 148 HE2 MET 19 HE2 MET 19 48.683 7.636 4.567 149 HE3 MET 19 HE3 MET 19 48.711 8.382 2.952 150 H ILE 20 HN ILE 20 41.031 9.609 1.805 151 HA ILE 20 HA ILE 20 39.481 7.945 2.272 152 HB ILE 20 HB ILE 20 41.639 5.871 1.636 153 HG12 ILE 20 HG12 ILE 20 41.276 7.672 -0.203 154 HG13 ILE 20 HG11 ILE 20 41.114 5.971 -0.678 155 HG21 ILE 20 HG21 ILE 20 38.601 5.844 1.678 156 HG22 ILE 20 HG22 ILE 20 39.725 4.876 2.659 157 HG23 ILE 20 HG23 ILE 20 39.573 4.566 0.913 158 HD11 ILE 20 HD1 ILE 20 39.292 7.544 -1.544 159 HD12 ILE 20 HD2 ILE 20 38.723 7.678 0.132 160 HD13 ILE 20 HD3 ILE 20 38.712 6.101 -0.686 161 H GLN 21 HN GLN 21 42.527 8.384 3.645 162 HA GLN 21 HA GLN 21 41.749 6.773 6.112 163 HB2 GLN 21 HB2 GLN 21 44.409 7.489 4.842 164 HB3 GLN 21 HB1 GLN 21 44.321 7.229 6.598 165 HG2 GLN 21 HG2 GLN 21 44.913 5.141 5.378 166 HG3 GLN 21 HG1 GLN 21 43.364 4.987 6.241 167 HE21 GLN 21 HE21 GLN 21 41.428 4.698 5.009 168 HE22 GLN 21 HE22 GLN 21 41.452 4.528 3.251 169 H ASN 22 HN ASN 22 41.599 9.816 4.753 170 HA ASN 22 HA ASN 22 41.749 11.084 7.472 171 HB2 ASN 22 HB2 ASN 22 43.578 11.632 5.428 172 HB3 ASN 22 HB1 ASN 22 42.312 12.837 5.098 173 HD21 ASN 22 HD21 ASN 22 44.997 12.032 7.173 174 HD22 ASN 22 HD22 ASN 22 44.798 13.381 8.296 175 H HIS 23 HN HIS 23 40.461 10.659 4.207 176 HA HIS 23 HA HIS 23 38.413 11.382 3.301 177 HB2 HIS 23 HB2 HIS 23 37.649 9.641 4.851 178 HB3 HIS 23 HB1 HIS 23 37.542 10.834 6.166 179 HD1 HIS 23 HD1 HIS 23 35.061 11.055 6.543 180 HD2 HIS 23 HD2 HIS 23 36.082 11.230 2.467 181 HE1 HIS 23 HE1 HIS 23 32.947 11.690 5.256 182 H HIS 24 HN HIS 24 36.901 12.546 6.132 183 HA HIS 24 HA HIS 24 36.729 15.228 5.018 184 HB2 HIS 24 HB2 HIS 24 34.919 14.094 6.357 185 HB3 HIS 24 HB1 HIS 24 35.946 14.275 7.800 186 HD1 HIS 24 HD1 HIS 24 34.812 16.605 4.940 187 HD2 HIS 24 HD2 HIS 24 35.322 16.610 9.115 188 HE1 HIS 24 HE1 HIS 24 34.073 18.896 5.795 Start of MODEL 2 1 H1 PHE 1 HT1 PHE 1 61.370 0.314 3.170 2 H2 PHE 1 HT2 PHE 1 62.441 -0.046 4.439 3 H3 PHE 1 HT3 PHE 1 62.212 1.564 3.945 4 HA PHE 1 HA PHE 1 60.257 -0.206 5.263 5 HB2 PHE 1 HB2 PHE 1 61.415 2.457 6.164 6 HB3 PHE 1 HB1 PHE 1 60.419 1.325 7.110 7 HD1 PHE 1 HD1 PHE 1 63.769 1.944 5.646 8 HD2 PHE 1 HD2 PHE 1 61.360 -0.749 8.006 9 HE1 PHE 1 HE1 PHE 1 65.827 0.743 6.375 10 HE2 PHE 1 HE2 PHE 1 63.418 -1.951 8.735 11 HZ PHE 1 HZ PHE 1 65.654 -1.176 7.955 12 H LEU 2 HN LEU 2 60.927 2.922 3.679 13 HA LEU 2 HA LEU 2 58.215 3.902 3.936 14 HB2 LEU 2 HB2 LEU 2 60.230 4.677 1.797 15 HB3 LEU 2 HB1 LEU 2 58.897 5.656 2.451 16 HG LEU 2 HG LEU 2 61.321 4.697 4.042 17 HD11 LEU 2 HD11 LEU 2 61.864 6.415 2.327 18 HD12 LEU 2 HD12 LEU 2 62.010 7.063 3.978 19 HD13 LEU 2 HD13 LEU 2 60.587 7.464 2.987 20 HD21 LEU 2 HD21 LEU 2 60.374 6.507 5.657 21 HD22 LEU 2 HD22 LEU 2 59.514 4.954 5.583 22 HD23 LEU 2 HD23 LEU 2 58.866 6.370 4.721 23 H GLY 3 HN GLY 3 56.889 2.142 3.301 24 HA2 GLY 3 HA1 GLY 3 57.119 0.981 0.657 25 HA3 GLY 3 HA2 GLY 3 55.751 0.813 1.776 26 H ALA 4 HN ALA 4 56.070 4.010 1.713 27 HA ALA 4 HA ALA 4 53.816 4.375 -0.067 28 HB1 ALA 4 HB1 ALA 4 54.180 5.805 1.888 29 HB2 ALA 4 HB2 ALA 4 54.160 6.779 0.398 30 HB3 ALA 4 HB3 ALA 4 55.707 6.394 1.190 31 H LEU 5 HN LEU 5 53.680 5.269 -2.092 32 HA LEU 5 HA LEU 5 56.070 4.957 -3.763 33 HB2 LEU 5 HB2 LEU 5 53.426 6.177 -4.621 34 HB3 LEU 5 HB1 LEU 5 54.605 5.272 -5.601 35 HG LEU 5 HG LEU 5 52.860 4.153 -3.362 36 HD11 LEU 5 HD11 LEU 5 51.799 2.879 -5.157 37 HD12 LEU 5 HD12 LEU 5 52.938 3.548 -6.350 38 HD13 LEU 5 HD13 LEU 5 51.744 4.610 -5.565 39 HD21 LEU 5 HD21 LEU 5 55.115 2.939 -5.015 40 HD22 LEU 5 HD22 LEU 5 53.869 1.936 -4.233 41 HD23 LEU 5 HD23 LEU 5 54.935 2.959 -3.244 42 H ILE 6 HN ILE 6 56.140 7.027 -1.649 43 HA ILE 6 HA ILE 6 56.620 9.319 -1.374 44 HB ILE 6 HB ILE 6 57.939 9.295 -4.131 45 HG12 ILE 6 HG12 ILE 6 58.828 7.620 -1.737 46 HG13 ILE 6 HG11 ILE 6 58.337 7.011 -3.334 47 HG21 ILE 6 HG21 ILE 6 59.134 10.034 -1.430 48 HG22 ILE 6 HG22 ILE 6 58.070 11.159 -2.303 49 HG23 ILE 6 HG23 ILE 6 59.591 10.616 -3.049 50 HD11 ILE 6 HD1 ILE 6 60.724 7.019 -3.377 51 HD12 ILE 6 HD2 ILE 6 60.810 8.627 -2.619 52 HD13 ILE 6 HD3 ILE 6 60.240 8.463 -4.298 53 H LYS 7 HN LYS 7 57.166 11.068 -3.852 54 HA LYS 7 HA LYS 7 55.861 12.820 -4.669 55 HB2 LYS 7 HB2 LYS 7 53.636 10.742 -4.980 56 HB3 LYS 7 HB1 LYS 7 53.764 12.298 -5.835 57 HG2 LYS 7 HG2 LYS 7 55.997 11.425 -6.780 58 HG3 LYS 7 HG1 LYS 7 55.513 9.828 -6.162 59 HD2 LYS 7 HD2 LYS 7 53.950 11.542 -8.146 60 HD3 LYS 7 HD1 LYS 7 54.853 10.057 -8.524 61 HE2 LYS 7 HE2 LYS 7 53.336 8.917 -6.736 62 HE3 LYS 7 HE1 LYS 7 52.307 10.361 -6.899 63 HZ1 LYS 7 HZ1 LYS 7 53.175 9.130 -9.387 64 HZ2 LYS 7 HZ2 LYS 7 51.663 9.774 -8.957 65 HZ3 LYS 7 HZ3 LYS 7 52.097 8.210 -8.456 66 H GLY 8 HN GLY 8 56.156 11.719 -2.213 67 HA2 GLY 8 HA1 GLY 8 55.478 11.471 -0.114 68 HA3 GLY 8 HA2 GLY 8 55.113 13.235 -0.268 69 H ALA 9 HN ALA 9 53.851 9.964 -0.528 70 HA ALA 9 HA ALA 9 51.758 9.080 -0.230 71 HB1 ALA 9 HB1 ALA 9 51.912 10.526 1.876 72 HB2 ALA 9 HB2 ALA 9 50.273 10.112 1.321 73 HB3 ALA 9 HB3 ALA 9 50.940 11.730 1.001 74 H ILE 10 HN ILE 10 51.807 9.282 -2.609 75 HA ILE 10 HA ILE 10 50.988 10.048 -4.635 76 HB ILE 10 HB ILE 10 48.278 10.425 -4.395 77 HG12 ILE 10 HG12 ILE 10 49.108 8.851 -1.903 78 HG13 ILE 10 HG11 ILE 10 48.288 10.430 -1.928 79 HG21 ILE 10 HG21 ILE 10 48.001 8.068 -4.846 80 HG22 ILE 10 HG22 ILE 10 49.535 7.669 -4.038 81 HG23 ILE 10 HG23 ILE 10 49.541 8.550 -5.584 82 HD11 ILE 10 HD1 ILE 10 46.469 9.166 -3.360 83 HD12 ILE 10 HD2 ILE 10 46.497 8.943 -1.596 84 HD13 ILE 10 HD3 ILE 10 47.198 7.702 -2.660 85 H HIS 11 HN HIS 11 48.596 11.966 -2.804 86 HA HIS 11 HA HIS 11 50.039 14.458 -3.679 87 HB2 HIS 11 HB2 HIS 11 48.094 13.765 -5.246 88 HB3 HIS 11 HB1 HIS 11 47.017 14.162 -3.888 89 HD1 HIS 11 HD1 HIS 11 47.019 16.674 -3.029 90 HD2 HIS 11 HD2 HIS 11 49.266 16.001 -6.518 91 HE1 HIS 11 HE1 HIS 11 47.474 18.952 -4.094 92 H GLY 12 HN GLY 12 50.106 13.224 -1.137 93 HA2 GLY 12 HA1 GLY 12 49.841 13.823 1.083 94 HA3 GLY 12 HA2 GLY 12 49.390 15.439 0.509 95 H GLY 13 HN GLY 13 47.906 12.168 0.303 96 HA2 GLY 13 HA1 GLY 13 45.699 11.537 0.665 97 HA3 GLY 13 HA2 GLY 13 45.846 12.514 2.141 98 H ARG 14 HN ARG 14 45.510 13.050 -1.391 99 HA ARG 14 HA ARG 14 43.026 14.571 -0.931 100 HB2 ARG 14 HB2 ARG 14 44.689 16.314 -0.506 101 HB3 ARG 14 HB1 ARG 14 45.552 15.901 -2.002 102 HG2 ARG 14 HG2 ARG 14 44.093 17.925 -2.245 103 HG3 ARG 14 HG1 ARG 14 43.637 16.621 -3.359 104 HD2 ARG 14 HD2 ARG 14 41.682 16.093 -2.136 105 HD3 ARG 14 HD1 ARG 14 42.291 16.856 -0.646 106 HE ARG 14 HE ARG 14 42.101 18.938 -2.508 107 HH11 ARG 14 HH11 ARG 14 40.213 20.146 -2.808 108 HH12 ARG 14 HH12 ARG 14 38.712 19.548 -2.185 109 HH21 ARG 14 HH21 ARG 14 40.082 16.604 -0.974 110 HH22 ARG 14 HH22 ARG 14 38.638 17.543 -1.146 111 H PHE 15 HN PHE 15 45.447 13.047 -2.945 112 HA PHE 15 HA PHE 15 44.520 13.581 -5.531 113 HB2 PHE 15 HB2 PHE 15 46.467 12.082 -4.855 114 HB3 PHE 15 HB1 PHE 15 45.272 10.800 -4.561 115 HD1 PHE 15 HD1 PHE 15 43.966 9.831 -6.419 116 HD2 PHE 15 HD2 PHE 15 46.963 12.855 -7.122 117 HE1 PHE 15 HE1 PHE 15 43.934 9.295 -8.852 118 HE2 PHE 15 HE2 PHE 15 46.933 12.320 -9.555 119 HZ PHE 15 HZ PHE 15 45.415 10.542 -10.421 120 H ILE 16 HN ILE 16 43.375 10.949 -3.356 121 HA ILE 16 HA ILE 16 41.124 10.389 -5.173 122 HB ILE 16 HB ILE 16 41.417 9.276 -2.352 123 HG12 ILE 16 HG12 ILE 16 42.863 8.385 -4.892 124 HG13 ILE 16 HG11 ILE 16 43.624 9.057 -3.432 125 HG21 ILE 16 HG21 ILE 16 40.246 7.371 -3.313 126 HG22 ILE 16 HG22 ILE 16 40.423 8.032 -4.955 127 HG23 ILE 16 HG23 ILE 16 39.361 8.841 -3.779 128 HD11 ILE 16 HD1 ILE 16 43.898 6.735 -3.126 129 HD12 ILE 16 HD2 ILE 16 42.305 6.354 -3.817 130 HD13 ILE 16 HD3 ILE 16 42.422 7.068 -2.189 131 H HIS 17 HN HIS 17 41.010 10.883 -1.585 132 HA HIS 17 HA HIS 17 39.390 13.261 -1.762 133 HB2 HIS 17 HB2 HIS 17 37.700 11.702 -2.683 134 HB3 HIS 17 HB1 HIS 17 37.883 10.660 -1.252 135 HD1 HIS 17 HD1 HIS 17 36.517 11.227 0.782 136 HD2 HIS 17 HD2 HIS 17 36.744 14.431 -1.932 137 HE1 HIS 17 HE1 HIS 17 34.925 13.045 1.614 138 H GLY 18 HN GLY 18 41.269 13.445 -0.228 139 HA2 GLY 18 HA1 GLY 18 41.993 13.591 1.981 140 HA3 GLY 18 HA2 GLY 18 40.319 13.306 2.449 141 H MET 19 HN MET 19 42.813 11.480 0.786 142 HA MET 19 HA MET 19 43.210 9.250 0.990 143 HB2 MET 19 HB2 MET 19 44.608 10.583 2.738 144 HB3 MET 19 HB1 MET 19 43.643 9.636 3.888 145 HG2 MET 19 HG2 MET 19 44.392 7.547 2.608 146 HG3 MET 19 HG1 MET 19 45.539 8.595 1.743 147 HE1 MET 19 HE1 MET 19 47.711 6.556 4.289 148 HE2 MET 19 HE2 MET 19 47.455 6.995 2.583 149 HE3 MET 19 HE3 MET 19 46.234 6.030 3.447 150 H ILE 20 HN ILE 20 40.385 9.983 1.532 151 HA ILE 20 HA ILE 20 38.507 8.884 2.350 152 HB ILE 20 HB ILE 20 40.378 6.518 1.859 153 HG12 ILE 20 HG12 ILE 20 38.900 6.081 -0.003 154 HG13 ILE 20 HG11 ILE 20 37.699 7.247 0.597 155 HG21 ILE 20 HG21 ILE 20 39.067 5.682 3.666 156 HG22 ILE 20 HG22 ILE 20 38.221 5.116 2.208 157 HG23 ILE 20 HG23 ILE 20 37.604 6.525 3.106 158 HD11 ILE 20 HD1 ILE 20 39.191 8.048 -1.336 159 HD12 ILE 20 HD2 ILE 20 40.531 8.071 -0.166 160 HD13 ILE 20 HD3 ILE 20 39.114 9.121 0.079 161 H GLN 21 HN GLN 21 41.434 9.307 3.796 162 HA GLN 21 HA GLN 21 40.264 8.765 6.538 163 HB2 GLN 21 HB2 GLN 21 42.961 7.807 5.512 164 HB3 GLN 21 HB1 GLN 21 42.520 7.876 7.235 165 HG2 GLN 21 HG2 GLN 21 40.555 6.409 6.767 166 HG3 GLN 21 HG1 GLN 21 41.071 6.293 5.067 167 HE21 GLN 21 HE21 GLN 21 42.798 4.867 4.534 168 HE22 GLN 21 HE22 GLN 21 43.614 3.872 5.744 169 H ASN 22 HN ASN 22 42.212 10.735 4.345 170 HA ASN 22 HA ASN 22 43.379 12.259 6.616 171 HB2 ASN 22 HB2 ASN 22 44.751 12.027 4.608 172 HB3 ASN 22 HB1 ASN 22 43.453 12.698 3.600 173 HD21 ASN 22 HD21 ASN 22 44.174 13.944 6.868 174 HD22 ASN 22 HD22 ASN 22 44.803 15.498 6.312 175 H HIS 23 HN HIS 23 40.862 12.363 4.140 176 HA HIS 23 HA HIS 23 38.847 13.586 4.171 177 HB2 HIS 23 HB2 HIS 23 39.118 13.277 6.766 178 HB3 HIS 23 HB1 HIS 23 39.594 14.990 6.758 179 HD1 HIS 23 HD1 HIS 23 37.701 16.559 7.088 180 HD2 HIS 23 HD2 HIS 23 36.491 13.043 5.122 181 HE1 HIS 23 HE1 HIS 23 35.182 16.732 6.701 182 H HIS 24 HN HIS 24 38.225 16.178 4.875 183 HA HIS 24 HA HIS 24 38.429 18.304 3.961 184 HB2 HIS 24 HB2 HIS 24 41.339 17.767 4.674 185 HB3 HIS 24 HB1 HIS 24 40.676 19.364 4.250 186 HD1 HIS 24 HD1 HIS 24 40.471 16.637 6.901 187 HD2 HIS 24 HD2 HIS 24 39.092 20.559 6.274 188 HE1 HIS 24 HE1 HIS 24 39.535 17.479 9.123 Start of MODEL 3 1 H1 PHE 1 HT1 PHE 1 61.115 2.491 0.299 2 H2 PHE 1 HT2 PHE 1 62.070 1.532 1.329 3 H3 PHE 1 HT3 PHE 1 62.806 2.560 0.193 4 HA PHE 1 HA PHE 1 62.179 3.095 2.817 5 HB2 PHE 1 HB2 PHE 1 63.082 4.838 0.491 6 HB3 PHE 1 HB1 PHE 1 63.105 5.349 2.197 7 HD1 PHE 1 HD1 PHE 1 64.593 3.074 -0.322 8 HD2 PHE 1 HD2 PHE 1 64.666 4.352 3.800 9 HE1 PHE 1 HE1 PHE 1 66.774 1.913 -0.002 10 HE2 PHE 1 HE2 PHE 1 66.848 3.190 4.121 11 HZ PHE 1 HZ PHE 1 67.862 1.909 2.240 12 H LEU 2 HN LEU 2 60.490 3.957 3.822 13 HA LEU 2 HA LEU 2 58.396 4.917 4.112 14 HB2 LEU 2 HB2 LEU 2 59.108 6.781 1.823 15 HB3 LEU 2 HB1 LEU 2 58.135 7.121 3.273 16 HG LEU 2 HG LEU 2 61.133 6.563 3.189 17 HD11 LEU 2 HD11 LEU 2 61.370 8.882 3.844 18 HD12 LEU 2 HD12 LEU 2 59.610 9.061 4.046 19 HD13 LEU 2 HD13 LEU 2 60.303 8.836 2.422 20 HD21 LEU 2 HD21 LEU 2 60.338 5.620 5.242 21 HD22 LEU 2 HD22 LEU 2 59.167 6.939 5.488 22 HD23 LEU 2 HD23 LEU 2 60.911 7.246 5.676 23 H GLY 3 HN GLY 3 57.437 2.924 3.294 24 HA2 GLY 3 HA1 GLY 3 56.715 2.536 0.578 25 HA3 GLY 3 HA2 GLY 3 55.876 1.843 1.979 26 H ALA 4 HN ALA 4 56.040 4.543 -0.283 27 HA ALA 4 HA ALA 4 53.146 4.946 -0.019 28 HB1 ALA 4 HB1 ALA 4 53.186 7.212 0.750 29 HB2 ALA 4 HB2 ALA 4 54.965 7.269 0.686 30 HB3 ALA 4 HB3 ALA 4 54.149 6.258 1.902 31 H LEU 5 HN LEU 5 55.673 4.532 -1.868 32 HA LEU 5 HA LEU 5 56.291 5.176 -4.013 33 HB2 LEU 5 HB2 LEU 5 53.295 5.649 -4.003 34 HB3 LEU 5 HB1 LEU 5 54.261 5.910 -5.468 35 HG LEU 5 HG LEU 5 53.153 3.609 -5.222 36 HD11 LEU 5 HD11 LEU 5 56.179 3.355 -5.427 37 HD12 LEU 5 HD12 LEU 5 55.230 4.191 -6.677 38 HD13 LEU 5 HD13 LEU 5 54.918 2.479 -6.319 39 HD21 LEU 5 HD21 LEU 5 54.122 1.986 -3.726 40 HD22 LEU 5 HD22 LEU 5 53.723 3.420 -2.753 41 HD23 LEU 5 HD23 LEU 5 55.409 3.109 -3.230 42 H ILE 6 HN ILE 6 56.113 7.261 -1.739 43 HA ILE 6 HA ILE 6 56.297 9.595 -1.486 44 HB ILE 6 HB ILE 6 57.634 9.785 -4.224 45 HG12 ILE 6 HG12 ILE 6 58.288 7.504 -3.395 46 HG13 ILE 6 HG11 ILE 6 59.648 8.634 -3.501 47 HG21 ILE 6 HG21 ILE 6 58.338 10.715 -1.400 48 HG22 ILE 6 HG22 ILE 6 57.736 11.713 -2.740 49 HG23 ILE 6 HG23 ILE 6 59.356 10.988 -2.832 50 HD11 ILE 6 HD1 ILE 6 59.429 7.164 -1.353 51 HD12 ILE 6 HD2 ILE 6 58.140 8.293 -0.887 52 HD13 ILE 6 HD3 ILE 6 59.793 8.891 -1.155 53 H LYS 7 HN LYS 7 56.601 11.351 -4.051 54 HA LYS 7 HA LYS 7 55.052 12.885 -4.887 55 HB2 LYS 7 HB2 LYS 7 53.095 10.540 -5.056 56 HB3 LYS 7 HB1 LYS 7 53.039 12.050 -5.997 57 HG2 LYS 7 HG2 LYS 7 55.213 11.434 -7.064 58 HG3 LYS 7 HG1 LYS 7 55.189 9.893 -6.174 59 HD2 LYS 7 HD2 LYS 7 53.062 9.275 -7.260 60 HD3 LYS 7 HD1 LYS 7 53.040 10.830 -8.126 61 HE2 LYS 7 HE2 LYS 7 53.918 9.023 -9.576 62 HE3 LYS 7 HE1 LYS 7 55.173 10.241 -9.244 63 HZ1 LYS 7 HZ1 LYS 7 54.873 7.807 -7.578 64 HZ2 LYS 7 HZ2 LYS 7 56.213 8.844 -7.706 65 HZ3 LYS 7 HZ3 LYS 7 55.810 7.808 -8.992 66 H GLY 8 HN GLY 8 55.559 11.938 -2.403 67 HA2 GLY 8 HA1 GLY 8 54.950 11.657 -0.280 68 HA3 GLY 8 HA2 GLY 8 54.362 13.355 -0.478 69 H ALA 9 HN ALA 9 53.550 9.961 -0.356 70 HA ALA 9 HA ALA 9 51.566 8.837 -0.053 71 HB1 ALA 9 HB1 ALA 9 50.670 11.455 1.207 72 HB2 ALA 9 HB2 ALA 9 51.617 10.196 2.038 73 HB3 ALA 9 HB3 ALA 9 49.963 9.845 1.481 74 H ILE 10 HN ILE 10 51.515 9.085 -2.480 75 HA ILE 10 HA ILE 10 50.251 9.354 -4.383 76 HB ILE 10 HB ILE 10 48.162 9.653 -2.227 77 HG12 ILE 10 HG12 ILE 10 47.050 7.896 -3.581 78 HG13 ILE 10 HG11 ILE 10 48.314 8.061 -4.822 79 HG21 ILE 10 HG21 ILE 10 47.350 11.496 -3.487 80 HG22 ILE 10 HG22 ILE 10 46.397 10.106 -4.054 81 HG23 ILE 10 HG23 ILE 10 47.746 10.718 -5.040 82 HD11 ILE 10 HD1 ILE 10 50.014 7.246 -3.344 83 HD12 ILE 10 HD2 ILE 10 48.624 6.160 -3.112 84 HD13 ILE 10 HD3 ILE 10 48.966 7.432 -1.916 85 H HIS 11 HN HIS 11 49.063 12.058 -2.317 86 HA HIS 11 HA HIS 11 50.521 13.982 -4.051 87 HB2 HIS 11 HB2 HIS 11 48.319 13.648 -5.175 88 HB3 HIS 11 HB1 HIS 11 47.499 14.097 -3.660 89 HD1 HIS 11 HD1 HIS 11 46.606 16.409 -3.992 90 HD2 HIS 11 HD2 HIS 11 50.556 16.011 -5.380 91 HE1 HIS 11 HE1 HIS 11 47.377 18.719 -4.768 92 H GLY 12 HN GLY 12 49.516 12.814 -1.138 93 HA2 GLY 12 HA1 GLY 12 50.525 13.986 0.827 94 HA3 GLY 12 HA2 GLY 12 49.855 15.504 0.204 95 H GLY 13 HN GLY 13 48.548 12.190 0.706 96 HA2 GLY 13 HA1 GLY 13 46.495 11.567 1.611 97 HA3 GLY 13 HA2 GLY 13 47.024 12.584 2.965 98 H ARG 14 HN ARG 14 45.673 12.973 -0.334 99 HA ARG 14 HA ARG 14 43.608 14.826 0.830 100 HB2 ARG 14 HB2 ARG 14 45.567 16.020 -0.346 101 HB3 ARG 14 HB1 ARG 14 44.983 15.284 -1.850 102 HG2 ARG 14 HG2 ARG 14 43.006 16.815 -0.115 103 HG3 ARG 14 HG1 ARG 14 44.162 17.727 -1.103 104 HD2 ARG 14 HD2 ARG 14 42.142 15.672 -2.118 105 HD3 ARG 14 HD1 ARG 14 42.094 17.430 -2.357 106 HE ARG 14 HE ARG 14 44.574 16.332 -3.363 107 HH11 ARG 14 HH11 ARG 14 44.643 15.613 -5.543 108 HH12 ARG 14 HH12 ARG 14 43.308 15.997 -6.577 109 HH21 ARG 14 HH21 ARG 14 41.356 17.292 -4.022 110 HH22 ARG 14 HH22 ARG 14 41.448 16.945 -5.716 111 H PHE 15 HN PHE 15 44.636 13.137 -2.178 112 HA PHE 15 HA PHE 15 42.011 12.930 -3.251 113 HB2 PHE 15 HB2 PHE 15 44.304 12.488 -4.382 114 HB3 PHE 15 HB1 PHE 15 44.177 10.850 -3.709 115 HD1 PHE 15 HD1 PHE 15 41.963 9.540 -4.179 116 HD2 PHE 15 HD2 PHE 15 43.213 13.009 -6.426 117 HE1 PHE 15 HE1 PHE 15 40.455 8.874 -6.045 118 HE2 PHE 15 HE2 PHE 15 41.702 12.342 -8.291 119 HZ PHE 15 HZ PHE 15 40.311 10.285 -8.095 120 H ILE 16 HN ILE 16 43.854 10.068 -2.122 121 HA ILE 16 HA ILE 16 41.317 8.787 -1.309 122 HB ILE 16 HB ILE 16 42.866 6.897 -0.606 123 HG12 ILE 16 HG12 ILE 16 44.986 8.664 -1.921 124 HG13 ILE 16 HG11 ILE 16 44.858 8.372 -0.173 125 HG21 ILE 16 HG21 ILE 16 43.251 6.143 -2.847 126 HG22 ILE 16 HG22 ILE 16 43.404 7.805 -3.463 127 HG23 ILE 16 HG23 ILE 16 41.819 7.190 -2.941 128 HD11 ILE 16 HD1 ILE 16 44.978 5.844 -0.780 129 HD12 ILE 16 HD2 ILE 16 46.475 6.797 -0.907 130 HD13 ILE 16 HD3 ILE 16 45.549 6.397 -2.373 131 H HIS 17 HN HIS 17 41.524 11.068 0.086 132 HA HIS 17 HA HIS 17 42.136 10.066 2.862 133 HB2 HIS 17 HB2 HIS 17 44.042 11.485 2.045 134 HB3 HIS 17 HB1 HIS 17 42.892 12.828 1.840 135 HD1 HIS 17 HD1 HIS 17 43.096 14.397 3.764 136 HD2 HIS 17 HD2 HIS 17 43.461 10.380 4.962 137 HE1 HIS 17 HE1 HIS 17 43.347 14.381 6.308 138 H GLY 18 HN GLY 18 40.955 13.064 1.208 139 HA2 GLY 18 HA1 GLY 18 39.009 13.639 3.230 140 HA3 GLY 18 HA2 GLY 18 38.972 14.220 1.544 141 H MET 19 HN MET 19 38.655 12.372 -0.029 142 HA MET 19 HA MET 19 37.408 10.048 0.426 143 HB2 MET 19 HB2 MET 19 35.469 11.976 1.248 144 HB3 MET 19 HB1 MET 19 34.906 11.366 -0.315 145 HG2 MET 19 HG2 MET 19 33.984 10.008 1.507 146 HG3 MET 19 HG1 MET 19 35.097 9.038 0.518 147 HE1 MET 19 HE1 MET 19 34.105 8.118 3.187 148 HE2 MET 19 HE2 MET 19 35.542 7.614 4.108 149 HE3 MET 19 HE3 MET 19 35.398 7.195 2.384 150 H ILE 20 HN ILE 20 38.811 9.748 -1.259 151 HA ILE 20 HA ILE 20 39.274 9.524 -3.523 152 HB ILE 20 HB ILE 20 36.433 10.374 -4.218 153 HG12 ILE 20 HG12 ILE 20 37.373 7.651 -3.191 154 HG13 ILE 20 HG11 ILE 20 36.197 8.724 -2.404 155 HG21 ILE 20 HG21 ILE 20 38.136 8.171 -5.457 156 HG22 ILE 20 HG22 ILE 20 38.299 9.864 -5.965 157 HG23 ILE 20 HG23 ILE 20 36.746 9.027 -6.163 158 HD11 ILE 20 HD1 ILE 20 34.863 7.116 -3.533 159 HD12 ILE 20 HD2 ILE 20 35.885 7.164 -4.988 160 HD13 ILE 20 HD3 ILE 20 34.827 8.542 -4.597 161 H GLN 21 HN GLN 21 38.966 11.945 -1.790 162 HA GLN 21 HA GLN 21 40.132 14.028 -2.165 163 HB2 GLN 21 HB2 GLN 21 40.287 15.163 -4.215 164 HB3 GLN 21 HB1 GLN 21 40.305 13.477 -4.746 165 HG2 GLN 21 HG2 GLN 21 37.595 13.931 -4.831 166 HG3 GLN 21 HG1 GLN 21 38.173 15.588 -5.090 167 HE21 GLN 21 HE21 GLN 21 37.689 12.481 -6.590 168 HE22 GLN 21 HE22 GLN 21 38.450 12.882 -8.133 169 H ASN 22 HN ASN 22 37.622 12.897 -1.243 170 HA ASN 22 HA ASN 22 35.569 13.559 -0.465 171 HB2 ASN 22 HB2 ASN 22 36.875 15.001 0.888 172 HB3 ASN 22 HB1 ASN 22 37.036 16.204 -0.425 173 HD21 ASN 22 HD21 ASN 22 36.017 17.732 1.247 174 HD22 ASN 22 HD22 ASN 22 34.256 17.725 1.387 175 H HIS 23 HN HIS 23 35.859 13.164 -3.167 176 HA HIS 23 HA HIS 23 34.879 13.695 -5.226 177 HB2 HIS 23 HB2 HIS 23 32.970 12.906 -3.734 178 HB3 HIS 23 HB1 HIS 23 32.550 14.619 -3.502 179 HD1 HIS 23 HD1 HIS 23 31.130 15.703 -5.269 180 HD2 HIS 23 HD2 HIS 23 32.817 12.075 -6.563 181 HE1 HIS 23 HE1 HIS 23 30.175 15.201 -7.585 182 H HIS 24 HN HIS 24 36.421 15.882 -3.959 183 HA HIS 24 HA HIS 24 35.603 17.989 -5.783 184 HB2 HIS 24 HB2 HIS 24 33.961 18.292 -3.888 185 HB3 HIS 24 HB1 HIS 24 35.344 18.607 -2.815 186 HD1 HIS 24 HD1 HIS 24 35.422 19.791 -6.397 187 HD2 HIS 24 HD2 HIS 24 34.558 21.371 -2.597 188 HE1 HIS 24 HE1 HIS 24 35.368 22.335 -6.624 Start of MODEL 4 1 H1 PHE 1 HT1 PHE 1 49.219 6.837 2.408 2 H2 PHE 1 HT2 PHE 1 49.237 8.431 2.996 3 H3 PHE 1 HT3 PHE 1 48.108 7.311 3.598 4 HA PHE 1 HA PHE 1 50.811 7.792 4.353 5 HB2 PHE 1 HB2 PHE 1 48.568 6.157 5.604 6 HB3 PHE 1 HB1 PHE 1 50.038 6.740 6.420 7 HD1 PHE 1 HD1 PHE 1 46.744 7.679 5.045 8 HD2 PHE 1 HD2 PHE 1 50.364 9.148 6.878 9 HE1 PHE 1 HE1 PHE 1 45.618 9.848 5.528 10 HE2 PHE 1 HE2 PHE 1 49.239 11.318 7.360 11 HZ PHE 1 HZ PHE 1 46.889 11.693 6.618 12 H LEU 2 HN LEU 2 50.925 6.284 2.026 13 HA LEU 2 HA LEU 2 51.116 3.438 2.669 14 HB2 LEU 2 HB2 LEU 2 52.420 4.822 0.302 15 HB3 LEU 2 HB1 LEU 2 51.797 3.158 0.415 16 HG LEU 2 HG LEU 2 50.145 5.723 0.443 17 HD11 LEU 2 HD11 LEU 2 50.287 3.414 -1.547 18 HD12 LEU 2 HD12 LEU 2 51.042 5.010 -1.777 19 HD13 LEU 2 HD13 LEU 2 49.269 4.868 -1.690 20 HD21 LEU 2 HD21 LEU 2 49.019 4.191 1.900 21 HD22 LEU 2 HD22 LEU 2 49.411 2.796 0.866 22 HD23 LEU 2 HD23 LEU 2 48.219 4.003 0.324 23 H GLY 3 HN GLY 3 53.456 6.100 2.115 24 HA2 GLY 3 HA1 GLY 3 55.591 6.357 2.999 25 HA3 GLY 3 HA2 GLY 3 55.328 4.913 3.996 26 H ALA 4 HN ALA 4 54.986 5.011 0.477 27 HA ALA 4 HA ALA 4 57.652 4.061 -0.100 28 HB1 ALA 4 HB1 ALA 4 55.452 1.965 -0.036 29 HB2 ALA 4 HB2 ALA 4 56.846 2.050 1.069 30 HB3 ALA 4 HB3 ALA 4 57.100 1.731 -0.663 31 H LEU 5 HN LEU 5 56.108 6.071 -1.164 32 HA LEU 5 HA LEU 5 56.039 5.258 -3.967 33 HB2 LEU 5 HB2 LEU 5 53.765 4.532 -2.895 34 HB3 LEU 5 HB1 LEU 5 53.405 6.270 -2.844 35 HG LEU 5 HG LEU 5 54.154 6.196 -5.413 36 HD11 LEU 5 HD11 LEU 5 54.899 3.850 -5.440 37 HD12 LEU 5 HD12 LEU 5 53.469 4.037 -6.477 38 HD13 LEU 5 HD13 LEU 5 53.304 3.314 -4.862 39 HD21 LEU 5 HD21 LEU 5 51.902 6.815 -4.703 40 HD22 LEU 5 HD22 LEU 5 51.502 5.115 -4.359 41 HD23 LEU 5 HD23 LEU 5 51.776 5.644 -6.037 42 H ILE 6 HN ILE 6 56.210 7.470 -1.417 43 HA ILE 6 HA ILE 6 56.417 9.810 -1.307 44 HB ILE 6 HB ILE 6 57.542 9.785 -4.151 45 HG12 ILE 6 HG12 ILE 6 58.825 8.461 -1.715 46 HG13 ILE 6 HG11 ILE 6 58.345 7.659 -3.228 47 HG21 ILE 6 HG21 ILE 6 59.033 11.420 -3.284 48 HG22 ILE 6 HG22 ILE 6 58.765 10.911 -1.599 49 HG23 ILE 6 HG23 ILE 6 57.493 11.789 -2.477 50 HD11 ILE 6 HD1 ILE 6 60.572 9.683 -2.800 51 HD12 ILE 6 HD2 ILE 6 59.937 9.305 -4.420 52 HD13 ILE 6 HD3 ILE 6 60.694 8.028 -3.440 53 H LYS 7 HN LYS 7 56.522 11.433 -3.952 54 HA LYS 7 HA LYS 7 54.913 12.919 -4.757 55 HB2 LYS 7 HB2 LYS 7 53.119 10.433 -4.783 56 HB3 LYS 7 HB1 LYS 7 52.736 11.980 -5.575 57 HG2 LYS 7 HG2 LYS 7 54.790 11.749 -6.974 58 HG3 LYS 7 HG1 LYS 7 55.102 10.166 -6.220 59 HD2 LYS 7 HD2 LYS 7 52.947 9.316 -7.061 60 HD3 LYS 7 HD1 LYS 7 52.586 10.906 -7.777 61 HE2 LYS 7 HE2 LYS 7 53.468 9.416 -9.513 62 HE3 LYS 7 HE1 LYS 7 54.652 10.702 -9.179 63 HZ1 LYS 7 HZ1 LYS 7 56.002 9.251 -7.992 64 HZ2 LYS 7 HZ2 LYS 7 55.475 8.295 -9.294 65 HZ3 LYS 7 HZ3 LYS 7 54.771 8.109 -7.759 66 H GLY 8 HN GLY 8 55.557 12.068 -2.269 67 HA2 GLY 8 HA1 GLY 8 55.082 11.885 -0.108 68 HA3 GLY 8 HA2 GLY 8 54.457 13.565 -0.344 69 H ALA 9 HN ALA 9 53.658 10.136 -0.290 70 HA ALA 9 HA ALA 9 51.737 9.006 0.260 71 HB1 ALA 9 HB1 ALA 9 51.893 10.595 2.256 72 HB2 ALA 9 HB2 ALA 9 50.279 9.933 1.898 73 HB3 ALA 9 HB3 ALA 9 50.682 11.601 1.427 74 H ILE 10 HN ILE 10 51.542 9.089 -2.140 75 HA ILE 10 HA ILE 10 50.182 9.212 -3.991 76 HB ILE 10 HB ILE 10 48.194 9.726 -1.776 77 HG12 ILE 10 HG12 ILE 10 48.068 7.905 -4.216 78 HG13 ILE 10 HG11 ILE 10 48.899 7.460 -2.710 79 HG21 ILE 10 HG21 ILE 10 47.333 11.421 -3.201 80 HG22 ILE 10 HG22 ILE 10 46.360 9.984 -3.575 81 HG23 ILE 10 HG23 ILE 10 47.672 10.476 -4.671 82 HD11 ILE 10 HD1 ILE 10 46.809 6.525 -2.271 83 HD12 ILE 10 HD2 ILE 10 45.940 7.717 -3.259 84 HD13 ILE 10 HD3 ILE 10 46.507 8.155 -1.631 85 H HIS 11 HN HIS 11 49.097 12.066 -2.088 86 HA HIS 11 HA HIS 11 50.561 13.882 -3.862 87 HB2 HIS 11 HB2 HIS 11 48.529 13.322 -5.223 88 HB3 HIS 11 HB1 HIS 11 47.513 13.920 -3.888 89 HD1 HIS 11 HD1 HIS 11 50.661 15.806 -4.233 90 HD2 HIS 11 HD2 HIS 11 46.817 15.990 -5.929 91 HE1 HIS 11 HE1 HIS 11 50.399 18.124 -5.276 92 H GLY 12 HN GLY 12 49.557 12.911 -1.003 93 HA2 GLY 12 HA1 GLY 12 49.990 14.143 1.007 94 HA3 GLY 12 HA2 GLY 12 49.660 15.668 0.160 95 H GLY 13 HN GLY 13 47.701 12.700 0.110 96 HA2 GLY 13 HA1 GLY 13 45.540 12.312 0.825 97 HA3 GLY 13 HA2 GLY 13 45.834 13.493 2.116 98 H ARG 14 HN ARG 14 46.015 14.146 -1.366 99 HA ARG 14 HA ARG 14 43.710 16.063 -1.038 100 HB2 ARG 14 HB2 ARG 14 45.816 16.030 -3.229 101 HB3 ARG 14 HB1 ARG 14 44.667 17.330 -2.833 102 HG2 ARG 14 HG2 ARG 14 46.962 16.338 -1.081 103 HG3 ARG 14 HG1 ARG 14 46.877 17.897 -1.933 104 HD2 ARG 14 HD2 ARG 14 44.661 18.261 -0.572 105 HD3 ARG 14 HD1 ARG 14 45.283 16.958 0.472 106 HE ARG 14 HE ARG 14 46.911 18.469 1.285 107 HH11 ARG 14 HH11 ARG 14 45.360 19.634 -1.567 108 HH12 ARG 14 HH12 ARG 14 46.154 21.173 -1.529 109 HH21 ARG 14 HH21 ARG 14 47.993 20.453 1.320 110 HH22 ARG 14 HH22 ARG 14 47.643 21.637 0.105 111 H PHE 15 HN PHE 15 44.892 13.228 -2.725 112 HA PHE 15 HA PHE 15 43.153 13.345 -4.996 113 HB2 PHE 15 HB2 PHE 15 45.104 11.746 -4.616 114 HB3 PHE 15 HB1 PHE 15 44.029 10.818 -3.543 115 HD1 PHE 15 HD1 PHE 15 42.347 9.355 -4.443 116 HD2 PHE 15 HD2 PHE 15 44.428 12.110 -7.036 117 HE1 PHE 15 HE1 PHE 15 41.347 8.240 -6.434 118 HE2 PHE 15 HE2 PHE 15 43.428 10.994 -9.025 119 HZ PHE 15 HZ PHE 15 41.942 9.017 -8.726 120 H ILE 16 HN ILE 16 42.751 12.082 -1.694 121 HA ILE 16 HA ILE 16 39.917 12.527 -1.740 122 HB ILE 16 HB ILE 16 39.871 10.560 -3.203 123 HG12 ILE 16 HG12 ILE 16 38.879 9.786 -0.420 124 HG13 ILE 16 HG11 ILE 16 38.076 10.974 -1.469 125 HG21 ILE 16 HG21 ILE 16 40.907 8.763 -0.991 126 HG22 ILE 16 HG22 ILE 16 42.071 9.611 -2.032 127 HG23 ILE 16 HG23 ILE 16 40.882 8.501 -2.747 128 HD11 ILE 16 HD1 ILE 16 37.041 8.762 -1.755 129 HD12 ILE 16 HD2 ILE 16 38.625 8.054 -2.152 130 HD13 ILE 16 HD3 ILE 16 37.879 9.242 -3.249 131 H HIS 17 HN HIS 17 41.051 13.632 0.037 132 HA HIS 17 HA HIS 17 40.482 12.325 2.532 133 HB2 HIS 17 HB2 HIS 17 42.590 11.105 2.054 134 HB3 HIS 17 HB1 HIS 17 43.439 12.657 1.866 135 HD1 HIS 17 HD1 HIS 17 44.930 12.679 3.910 136 HD2 HIS 17 HD2 HIS 17 40.910 11.847 4.829 137 HE1 HIS 17 HE1 HIS 17 44.718 12.664 6.457 138 H GLY 18 HN GLY 18 41.476 14.835 0.498 139 HA2 GLY 18 HA1 GLY 18 40.756 16.851 2.481 140 HA3 GLY 18 HA2 GLY 18 42.482 16.868 2.059 141 H MET 19 HN MET 19 39.421 16.362 0.289 142 HA MET 19 HA MET 19 39.486 18.794 -1.247 143 HB2 MET 19 HB2 MET 19 41.453 17.690 -2.146 144 HB3 MET 19 HB1 MET 19 40.449 16.312 -2.564 145 HG2 MET 19 HG2 MET 19 39.125 17.692 -4.107 146 HG3 MET 19 HG1 MET 19 40.026 19.142 -3.607 147 HE1 MET 19 HE1 MET 19 40.011 19.356 -6.168 148 HE2 MET 19 HE2 MET 19 41.557 19.067 -7.001 149 HE3 MET 19 HE3 MET 19 41.513 20.064 -5.527 150 H ILE 20 HN ILE 20 38.938 15.288 -1.869 151 HA ILE 20 HA ILE 20 36.226 15.788 -2.854 152 HB ILE 20 HB ILE 20 37.678 13.287 -1.840 153 HG12 ILE 20 HG12 ILE 20 37.565 12.573 -4.148 154 HG13 ILE 20 HG11 ILE 20 36.450 13.894 -4.566 155 HG21 ILE 20 HG21 ILE 20 35.400 12.940 -1.151 156 HG22 ILE 20 HG22 ILE 20 35.586 12.060 -2.686 157 HG23 ILE 20 HG23 ILE 20 34.767 13.641 -2.659 158 HD11 ILE 20 HD1 ILE 20 38.919 14.219 -5.232 159 HD12 ILE 20 HD2 ILE 20 39.250 14.420 -3.495 160 HD13 ILE 20 HD3 ILE 20 38.158 15.552 -4.331 161 H GLN 21 HN GLN 21 37.979 16.084 -0.111 162 HA GLN 21 HA GLN 21 35.621 16.085 1.717 163 HB2 GLN 21 HB2 GLN 21 37.330 14.304 2.251 164 HB3 GLN 21 HB1 GLN 21 38.544 15.593 2.432 165 HG2 GLN 21 HG2 GLN 21 37.265 16.621 4.235 166 HG3 GLN 21 HG1 GLN 21 35.930 15.468 3.996 167 HE21 GLN 21 HE21 GLN 21 35.984 13.603 5.260 168 HE22 GLN 21 HE22 GLN 21 37.431 13.006 6.080 169 H ASN 22 HN ASN 22 38.512 17.749 0.230 170 HA ASN 22 HA ASN 22 37.776 20.122 2.048 171 HB2 ASN 22 HB2 ASN 22 40.172 19.104 2.171 172 HB3 ASN 22 HB1 ASN 22 40.422 19.888 0.597 173 HD21 ASN 22 HD21 ASN 22 41.897 20.708 2.917 174 HD22 ASN 22 HD22 ASN 22 41.363 22.337 3.344 175 H HIS 23 HN HIS 23 36.615 19.206 -0.607 176 HA HIS 23 HA HIS 23 36.050 20.159 -2.657 177 HB2 HIS 23 HB2 HIS 23 36.254 22.650 -0.921 178 HB3 HIS 23 HB1 HIS 23 35.444 22.572 -2.503 179 HD1 HIS 23 HD1 HIS 23 33.572 20.469 -2.628 180 HD2 HIS 23 HD2 HIS 23 34.548 22.025 1.155 181 HE1 HIS 23 HE1 HIS 23 31.683 19.828 -1.031 182 H HIS 24 HN HIS 24 36.582 22.476 -3.966 183 HA HIS 24 HA HIS 24 39.308 21.995 -4.886 184 HB2 HIS 24 HB2 HIS 24 38.818 23.866 -6.454 185 HB3 HIS 24 HB1 HIS 24 37.546 22.622 -6.465 186 HD1 HIS 24 HD1 HIS 24 35.236 23.214 -5.439 187 HD2 HIS 24 HD2 HIS 24 38.014 26.371 -5.383 188 HE1 HIS 24 HE1 HIS 24 33.962 25.338 -4.813 Start of MODEL 5 1 H1 PHE 1 HT1 PHE 1 59.254 5.453 -14.106 2 H2 PHE 1 HT2 PHE 1 60.562 5.379 -13.023 3 H3 PHE 1 HT3 PHE 1 60.301 6.777 -13.952 4 HA PHE 1 HA PHE 1 59.421 7.485 -12.040 5 HB2 PHE 1 HB2 PHE 1 57.205 5.901 -13.396 6 HB3 PHE 1 HB1 PHE 1 56.930 7.088 -12.097 7 HD1 PHE 1 HD1 PHE 1 57.144 9.473 -12.499 8 HD2 PHE 1 HD2 PHE 1 58.133 6.627 -15.592 9 HE1 PHE 1 HE1 PHE 1 57.226 11.317 -14.171 10 HE2 PHE 1 HE2 PHE 1 58.213 8.474 -17.264 11 HZ PHE 1 HZ PHE 1 57.809 10.824 -16.543 12 H LEU 2 HN LEU 2 59.584 7.033 -9.953 13 HA LEU 2 HA LEU 2 59.835 4.324 -9.007 14 HB2 LEU 2 HB2 LEU 2 59.177 6.743 -7.291 15 HB3 LEU 2 HB1 LEU 2 60.086 5.282 -6.837 16 HG LEU 2 HG LEU 2 60.960 7.429 -8.823 17 HD11 LEU 2 HD11 LEU 2 62.730 7.858 -7.174 18 HD12 LEU 2 HD12 LEU 2 62.112 6.548 -6.138 19 HD13 LEU 2 HD13 LEU 2 61.135 8.012 -6.399 20 HD21 LEU 2 HD21 LEU 2 61.817 5.378 -9.696 21 HD22 LEU 2 HD22 LEU 2 62.134 4.718 -8.073 22 HD23 LEU 2 HD23 LEU 2 63.150 6.031 -8.718 23 H GLY 3 HN GLY 3 58.349 4.592 -6.533 24 HA2 GLY 3 HA1 GLY 3 55.572 4.970 -6.931 25 HA3 GLY 3 HA2 GLY 3 55.937 3.281 -7.333 26 H ALA 4 HN ALA 4 57.936 4.900 -4.999 27 HA ALA 4 HA ALA 4 57.116 2.990 -2.935 28 HB1 ALA 4 HB1 ALA 4 58.821 4.143 -1.571 29 HB2 ALA 4 HB2 ALA 4 58.999 5.373 -2.846 30 HB3 ALA 4 HB3 ALA 4 59.453 3.682 -3.168 31 H LEU 5 HN LEU 5 54.879 4.423 -3.671 32 HA LEU 5 HA LEU 5 53.184 5.751 -2.804 33 HB2 LEU 5 HB2 LEU 5 54.465 5.330 -0.084 34 HB3 LEU 5 HB1 LEU 5 52.738 5.485 -0.489 35 HG LEU 5 HG LEU 5 54.583 3.168 -1.224 36 HD11 LEU 5 HD11 LEU 5 53.111 1.875 0.256 37 HD12 LEU 5 HD12 LEU 5 52.105 3.313 0.553 38 HD13 LEU 5 HD13 LEU 5 53.784 3.263 1.145 39 HD21 LEU 5 HD21 LEU 5 51.711 3.834 -2.002 40 HD22 LEU 5 HD22 LEU 5 52.337 2.167 -2.033 41 HD23 LEU 5 HD23 LEU 5 53.072 3.412 -3.068 42 H ILE 6 HN ILE 6 55.881 6.980 -3.468 43 HA ILE 6 HA ILE 6 56.099 9.244 -1.561 44 HB ILE 6 HB ILE 6 57.985 8.147 -3.087 45 HG12 ILE 6 HG12 ILE 6 58.955 10.657 -3.389 46 HG13 ILE 6 HG11 ILE 6 57.545 11.066 -2.387 47 HG21 ILE 6 HG21 ILE 6 56.407 8.800 -5.195 48 HG22 ILE 6 HG22 ILE 6 58.178 8.734 -5.318 49 HG23 ILE 6 HG23 ILE 6 57.365 10.297 -5.109 50 HD11 ILE 6 HD1 ILE 6 59.777 9.106 -1.700 51 HD12 ILE 6 HD2 ILE 6 58.302 9.317 -0.726 52 HD13 ILE 6 HD3 ILE 6 59.442 10.670 -0.921 53 H LYS 7 HN LYS 7 56.545 11.245 -3.795 54 HA LYS 7 HA LYS 7 55.179 13.031 -4.419 55 HB2 LYS 7 HB2 LYS 7 53.132 10.836 -5.055 56 HB3 LYS 7 HB1 LYS 7 53.033 12.530 -5.592 57 HG2 LYS 7 HG2 LYS 7 55.107 12.276 -6.885 58 HG3 LYS 7 HG1 LYS 7 55.291 10.604 -6.300 59 HD2 LYS 7 HD2 LYS 7 53.038 10.081 -7.336 60 HD3 LYS 7 HD1 LYS 7 53.063 11.707 -8.064 61 HE2 LYS 7 HE2 LYS 7 55.231 9.599 -8.465 62 HE3 LYS 7 HE1 LYS 7 53.918 9.932 -9.619 63 HZ1 LYS 7 HZ1 LYS 7 56.031 11.824 -8.716 64 HZ2 LYS 7 HZ2 LYS 7 54.702 12.266 -9.679 65 HZ3 LYS 7 HZ3 LYS 7 55.850 11.159 -10.266 66 H GLY 8 HN GLY 8 55.506 11.670 -2.103 67 HA2 GLY 8 HA1 GLY 8 54.826 11.155 -0.058 68 HA3 GLY 8 HA2 GLY 8 54.348 12.897 -0.018 69 H ALA 9 HN ALA 9 53.298 9.601 -0.696 70 HA ALA 9 HA ALA 9 51.267 8.552 -0.474 71 HB1 ALA 9 HB1 ALA 9 51.315 9.859 1.742 72 HB2 ALA 9 HB2 ALA 9 49.726 9.310 1.158 73 HB3 ALA 9 HB3 ALA 9 50.211 11.010 0.954 74 H ILE 10 HN ILE 10 51.354 9.013 -2.854 75 HA ILE 10 HA ILE 10 50.218 9.532 -4.786 76 HB ILE 10 HB ILE 10 48.029 9.758 -2.717 77 HG12 ILE 10 HG12 ILE 10 46.926 8.156 -4.251 78 HG13 ILE 10 HG11 ILE 10 48.252 8.364 -5.418 79 HG21 ILE 10 HG21 ILE 10 47.829 11.056 -5.454 80 HG22 ILE 10 HG22 ILE 10 47.359 11.722 -3.868 81 HG23 ILE 10 HG23 ILE 10 46.396 10.425 -4.609 82 HD11 ILE 10 HD1 ILE 10 48.402 6.323 -3.849 83 HD12 ILE 10 HD2 ILE 10 48.751 7.486 -2.548 84 HD13 ILE 10 HD3 ILE 10 49.845 7.358 -3.946 85 H HIS 11 HN HIS 11 49.005 12.095 -2.564 86 HA HIS 11 HA HIS 11 50.705 14.095 -3.922 87 HB2 HIS 11 HB2 HIS 11 48.716 13.916 -5.420 88 HB3 HIS 11 HB1 HIS 11 47.664 14.287 -4.032 89 HD1 HIS 11 HD1 HIS 11 50.838 15.839 -5.582 90 HD2 HIS 11 HD2 HIS 11 47.097 16.977 -4.039 91 HE1 HIS 11 HE1 HIS 11 50.706 18.388 -5.707 92 H GLY 12 HN GLY 12 49.439 12.728 -1.293 93 HA2 GLY 12 HA1 GLY 12 49.981 13.639 0.894 94 HA3 GLY 12 HA2 GLY 12 49.630 15.274 0.301 95 H GLY 13 HN GLY 13 47.799 12.197 0.069 96 HA2 GLY 13 HA1 GLY 13 45.548 11.813 0.511 97 HA3 GLY 13 HA2 GLY 13 45.947 12.533 2.083 98 H ARG 14 HN ARG 14 45.040 13.392 -1.272 99 HA ARG 14 HA ARG 14 42.963 15.184 -0.293 100 HB2 ARG 14 HB2 ARG 14 44.881 16.661 0.082 101 HB3 ARG 14 HB1 ARG 14 45.461 16.374 -1.572 102 HG2 ARG 14 HG2 ARG 14 44.252 18.554 -1.333 103 HG3 ARG 14 HG1 ARG 14 43.475 17.473 -2.508 104 HD2 ARG 14 HD2 ARG 14 41.666 17.004 -1.065 105 HD3 ARG 14 HD1 ARG 14 42.578 17.461 0.394 106 HE ARG 14 HE ARG 14 41.082 19.276 -1.332 107 HH11 ARG 14 HH11 ARG 14 42.070 19.167 1.713 108 HH12 ARG 14 HH12 ARG 14 42.857 20.709 1.779 109 HH21 ARG 14 HH21 ARG 14 42.831 21.168 -1.658 110 HH22 ARG 14 HH22 ARG 14 43.287 21.842 -0.128 111 H PHE 15 HN PHE 15 44.788 13.554 -2.729 112 HA PHE 15 HA PHE 15 43.690 14.539 -5.120 113 HB2 PHE 15 HB2 PHE 15 45.460 12.765 -4.898 114 HB3 PHE 15 HB1 PHE 15 44.178 11.607 -4.471 115 HD1 PHE 15 HD1 PHE 15 45.146 14.107 -7.116 116 HD2 PHE 15 HD2 PHE 15 43.000 10.476 -6.196 117 HE1 PHE 15 HE1 PHE 15 44.660 13.779 -9.537 118 HE2 PHE 15 HE2 PHE 15 42.515 10.149 -8.618 119 HZ PHE 15 HZ PHE 15 43.418 11.756 -10.294 120 H ILE 16 HN ILE 16 42.072 13.119 -2.481 121 HA ILE 16 HA ILE 16 39.552 13.008 -4.078 122 HB ILE 16 HB ILE 16 40.269 10.741 -2.166 123 HG12 ILE 16 HG12 ILE 16 40.585 10.884 -5.200 124 HG13 ILE 16 HG11 ILE 16 41.888 10.679 -4.008 125 HG21 ILE 16 HG21 ILE 16 37.842 11.346 -2.783 126 HG22 ILE 16 HG22 ILE 16 38.341 9.668 -3.101 127 HG23 ILE 16 HG23 ILE 16 38.245 10.838 -4.439 128 HD11 ILE 16 HD1 ILE 16 39.705 8.715 -4.776 129 HD12 ILE 16 HD2 ILE 16 40.590 8.559 -3.238 130 HD13 ILE 16 HD3 ILE 16 41.467 8.476 -4.784 131 H HIS 17 HN HIS 17 40.443 11.883 -0.772 132 HA HIS 17 HA HIS 17 39.508 14.277 0.529 133 HB2 HIS 17 HB2 HIS 17 37.305 13.426 -0.326 134 HB3 HIS 17 HB1 HIS 17 37.566 11.932 0.605 135 HD1 HIS 17 HD1 HIS 17 38.678 15.274 1.975 136 HD2 HIS 17 HD2 HIS 17 35.453 12.611 2.420 137 HE1 HIS 17 HE1 HIS 17 37.374 15.997 4.050 138 H GLY 18 HN GLY 18 41.742 13.397 1.148 139 HA2 GLY 18 HA1 GLY 18 42.886 12.762 3.118 140 HA3 GLY 18 HA2 GLY 18 41.404 11.974 3.723 141 H MET 19 HN MET 19 42.662 11.380 0.512 142 HA MET 19 HA MET 19 43.349 9.357 -0.276 143 HB2 MET 19 HB2 MET 19 45.067 9.816 1.747 144 HB3 MET 19 HB1 MET 19 44.373 8.259 2.242 145 HG2 MET 19 HG2 MET 19 45.609 8.793 -0.504 146 HG3 MET 19 HG1 MET 19 46.492 8.085 0.865 147 HE1 MET 19 HE1 MET 19 46.685 6.464 -1.559 148 HE2 MET 19 HE2 MET 19 45.256 7.237 -2.283 149 HE3 MET 19 HE3 MET 19 45.313 5.468 -2.097 150 H ILE 20 HN ILE 20 41.008 9.823 1.748 151 HA ILE 20 HA ILE 20 39.228 8.574 2.450 152 HB ILE 20 HB ILE 20 40.073 6.431 0.458 153 HG12 ILE 20 HG12 ILE 20 40.135 8.360 -0.916 154 HG13 ILE 20 HG11 ILE 20 38.469 7.788 -1.120 155 HG21 ILE 20 HG21 ILE 20 37.564 6.151 0.301 156 HG22 ILE 20 HG22 ILE 20 37.399 7.326 1.627 157 HG23 ILE 20 HG23 ILE 20 38.239 5.785 1.903 158 HD11 ILE 20 HD1 ILE 20 37.832 9.442 0.771 159 HD12 ILE 20 HD2 ILE 20 38.303 10.156 -0.781 160 HD13 ILE 20 HD3 ILE 20 39.457 10.143 0.572 161 H GLN 21 HN GLN 21 42.451 7.849 2.545 162 HA GLN 21 HA GLN 21 41.994 5.981 4.883 163 HB2 GLN 21 HB2 GLN 21 42.560 4.737 2.637 164 HB3 GLN 21 HB1 GLN 21 44.197 5.386 2.876 165 HG2 GLN 21 HG2 GLN 21 44.185 3.217 3.910 166 HG3 GLN 21 HG1 GLN 21 44.098 4.390 5.245 167 HE21 GLN 21 HE21 GLN 21 42.554 3.871 6.786 168 HE22 GLN 21 HE22 GLN 21 41.058 2.995 6.447 169 H ASN 22 HN ASN 22 42.638 8.868 4.634 170 HA ASN 22 HA ASN 22 45.071 8.770 6.312 171 HB2 ASN 22 HB2 ASN 22 45.861 9.008 3.871 172 HB3 ASN 22 HB1 ASN 22 45.098 10.617 3.901 173 HD21 ASN 22 HD21 ASN 22 47.994 8.926 4.580 174 HD22 ASN 22 HD22 ASN 22 48.751 10.158 5.597 175 H HIS 23 HN HIS 23 43.046 11.155 4.391 176 HA HIS 23 HA HIS 23 42.288 13.283 5.267 177 HB2 HIS 23 HB2 HIS 23 40.573 11.535 5.917 178 HB3 HIS 23 HB1 HIS 23 41.329 11.498 7.527 179 HD1 HIS 23 HD1 HIS 23 41.847 14.375 8.189 180 HD2 HIS 23 HD2 HIS 23 38.369 13.172 6.152 181 HE1 HIS 23 HE1 HIS 23 40.081 16.184 8.562 182 H HIS 24 HN HIS 24 44.215 14.370 5.688 183 HA HIS 24 HA HIS 24 44.510 15.114 8.494 184 HB2 HIS 24 HB2 HIS 24 45.817 13.035 8.534 185 HB3 HIS 24 HB1 HIS 24 46.771 13.588 7.136 186 HD1 HIS 24 HD1 HIS 24 48.915 14.710 7.711 187 HD2 HIS 24 HD2 HIS 24 46.054 15.148 10.762 188 HE1 HIS 24 HE1 HIS 24 50.041 15.956 9.636 Start of MODEL 6 1 H1 PHE 1 HT1 PHE 1 56.410 -2.444 1.434 2 H2 PHE 1 HT2 PHE 1 57.525 -3.719 1.295 3 H3 PHE 1 HT3 PHE 1 56.240 -3.583 0.192 4 HA PHE 1 HA PHE 1 58.747 -2.679 -0.171 5 HB2 PHE 1 HB2 PHE 1 57.080 -3.172 -1.916 6 HB3 PHE 1 HB1 PHE 1 56.148 -1.731 -1.445 7 HD1 PHE 1 HD1 PHE 1 59.517 -2.850 -2.675 8 HD2 PHE 1 HD2 PHE 1 56.717 0.416 -2.318 9 HE1 PHE 1 HE1 PHE 1 60.961 -1.451 -4.144 10 HE2 PHE 1 HE2 PHE 1 58.162 1.815 -3.790 11 HZ PHE 1 HZ PHE 1 60.316 0.902 -4.648 12 H LEU 2 HN LEU 2 55.942 -0.440 0.020 13 HA LEU 2 HA LEU 2 57.287 1.309 1.909 14 HB2 LEU 2 HB2 LEU 2 58.536 1.713 -0.296 15 HB3 LEU 2 HB1 LEU 2 57.014 2.382 -0.921 16 HG LEU 2 HG LEU 2 57.067 3.879 1.268 17 HD11 LEU 2 HD11 LEU 2 58.945 2.848 2.423 18 HD12 LEU 2 HD12 LEU 2 59.461 4.458 1.882 19 HD13 LEU 2 HD13 LEU 2 59.985 3.013 0.990 20 HD21 LEU 2 HD21 LEU 2 57.286 4.753 -1.033 21 HD22 LEU 2 HD22 LEU 2 59.013 4.323 -1.043 22 HD23 LEU 2 HD23 LEU 2 58.415 5.585 0.062 23 H GLY 3 HN GLY 3 54.868 0.941 -0.678 24 HA2 GLY 3 HA1 GLY 3 52.578 1.341 -0.572 25 HA3 GLY 3 HA2 GLY 3 52.752 1.804 1.132 26 H ALA 4 HN ALA 4 54.172 3.951 1.323 27 HA ALA 4 HA ALA 4 52.553 6.063 0.445 28 HB1 ALA 4 HB1 ALA 4 55.549 6.237 0.889 29 HB2 ALA 4 HB2 ALA 4 54.352 6.146 2.203 30 HB3 ALA 4 HB3 ALA 4 54.347 7.533 1.088 31 H LEU 5 HN LEU 5 55.453 4.672 -1.110 32 HA LEU 5 HA LEU 5 56.317 4.994 -3.235 33 HB2 LEU 5 HB2 LEU 5 53.918 4.040 -3.630 34 HB3 LEU 5 HB1 LEU 5 53.502 5.692 -4.133 35 HG LEU 5 HG LEU 5 55.677 5.458 -5.671 36 HD11 LEU 5 HD11 LEU 5 54.865 2.553 -5.189 37 HD12 LEU 5 HD12 LEU 5 56.442 3.288 -4.820 38 HD13 LEU 5 HD13 LEU 5 55.922 3.106 -6.508 39 HD21 LEU 5 HD21 LEU 5 54.253 4.534 -7.490 40 HD22 LEU 5 HD22 LEU 5 53.376 5.743 -6.523 41 HD23 LEU 5 HD23 LEU 5 53.059 4.009 -6.278 42 H ILE 6 HN ILE 6 56.196 7.295 -1.432 43 HA ILE 6 HA ILE 6 56.401 9.635 -1.461 44 HB ILE 6 HB ILE 6 57.363 9.456 -4.358 45 HG12 ILE 6 HG12 ILE 6 58.794 8.278 -1.929 46 HG13 ILE 6 HG11 ILE 6 58.227 7.386 -3.360 47 HG21 ILE 6 HG21 ILE 6 58.732 10.724 -1.951 48 HG22 ILE 6 HG22 ILE 6 57.397 11.550 -2.787 49 HG23 ILE 6 HG23 ILE 6 58.885 11.147 -3.674 50 HD11 ILE 6 HD1 ILE 6 59.734 8.956 -4.744 51 HD12 ILE 6 HD2 ILE 6 60.559 7.749 -3.730 52 HD13 ILE 6 HD3 ILE 6 60.461 9.443 -3.194 53 H LYS 7 HN LYS 7 56.353 11.114 -4.191 54 HA LYS 7 HA LYS 7 54.694 12.556 -4.983 55 HB2 LYS 7 HB2 LYS 7 52.682 10.282 -4.670 56 HB3 LYS 7 HB1 LYS 7 52.632 11.617 -5.840 57 HG2 LYS 7 HG2 LYS 7 54.633 9.310 -5.802 58 HG3 LYS 7 HG1 LYS 7 53.299 9.519 -6.955 59 HD2 LYS 7 HD2 LYS 7 55.749 11.317 -6.644 60 HD3 LYS 7 HD1 LYS 7 55.378 10.242 -8.006 61 HE2 LYS 7 HE2 LYS 7 53.154 11.653 -8.188 62 HE3 LYS 7 HE1 LYS 7 54.064 12.862 -7.248 63 HZ1 LYS 7 HZ1 LYS 7 54.697 13.449 -9.327 64 HZ2 LYS 7 HZ2 LYS 7 54.509 11.888 -9.971 65 HZ3 LYS 7 HZ3 LYS 7 55.884 12.271 -9.049 66 H GLY 8 HN GLY 8 55.505 11.849 -2.500 67 HA2 GLY 8 HA1 GLY 8 55.163 11.792 -0.301 68 HA3 GLY 8 HA2 GLY 8 54.548 13.465 -0.598 69 H ALA 9 HN ALA 9 53.679 10.053 -0.381 70 HA ALA 9 HA ALA 9 51.791 8.990 0.368 71 HB1 ALA 9 HB1 ALA 9 52.053 10.742 2.241 72 HB2 ALA 9 HB2 ALA 9 50.447 10.006 2.034 73 HB3 ALA 9 HB3 ALA 9 50.761 11.645 1.416 74 H ILE 10 HN ILE 10 51.496 8.902 -2.003 75 HA ILE 10 HA ILE 10 50.070 8.918 -3.810 76 HB ILE 10 HB ILE 10 48.159 9.729 -1.602 77 HG12 ILE 10 HG12 ILE 10 46.930 7.759 -2.448 78 HG13 ILE 10 HG11 ILE 10 48.093 7.606 -3.787 79 HG21 ILE 10 HG21 ILE 10 47.320 11.276 -3.190 80 HG22 ILE 10 HG22 ILE 10 46.303 9.831 -3.400 81 HG23 ILE 10 HG23 ILE 10 47.615 10.169 -4.554 82 HD11 ILE 10 HD1 ILE 10 49.903 7.119 -2.275 83 HD12 ILE 10 HD2 ILE 10 48.536 6.099 -1.770 84 HD13 ILE 10 HD3 ILE 10 48.929 7.577 -0.859 85 H HIS 11 HN HIS 11 49.148 11.951 -2.111 86 HA HIS 11 HA HIS 11 50.608 13.556 -4.100 87 HB2 HIS 11 HB2 HIS 11 48.416 12.982 -5.233 88 HB3 HIS 11 HB1 HIS 11 47.579 13.820 -3.906 89 HD1 HIS 11 HD1 HIS 11 50.054 14.450 -6.746 90 HD2 HIS 11 HD2 HIS 11 47.634 16.621 -4.076 91 HE1 HIS 11 HE1 HIS 11 50.104 16.895 -7.488 92 H GLY 12 HN GLY 12 49.594 12.849 -1.109 93 HA2 GLY 12 HA1 GLY 12 50.592 14.557 0.543 94 HA3 GLY 12 HA2 GLY 12 49.466 15.720 -0.190 95 H GLY 13 HN GLY 13 48.145 12.608 -0.178 96 HA2 GLY 13 HA1 GLY 13 46.565 11.575 1.170 97 HA3 GLY 13 HA2 GLY 13 47.180 12.516 2.544 98 H ARG 14 HN ARG 14 45.420 13.093 -0.525 99 HA ARG 14 HA ARG 14 43.136 14.199 0.930 100 HB2 ARG 14 HB2 ARG 14 44.623 16.160 0.997 101 HB3 ARG 14 HB1 ARG 14 44.915 16.027 -0.749 102 HG2 ARG 14 HG2 ARG 14 43.239 17.792 -0.203 103 HG3 ARG 14 HG1 ARG 14 42.550 16.511 -1.222 104 HD2 ARG 14 HD2 ARG 14 41.187 17.346 0.866 105 HD3 ARG 14 HD1 ARG 14 41.290 15.598 0.557 106 HE ARG 14 HE ARG 14 43.422 16.564 2.307 107 HH11 ARG 14 HH11 ARG 14 41.109 17.523 3.799 108 HH12 ARG 14 HH12 ARG 14 40.587 16.130 4.685 109 HH21 ARG 14 HH21 ARG 14 42.342 13.887 2.705 110 HH22 ARG 14 HH22 ARG 14 41.285 14.070 4.065 111 H PHE 15 HN PHE 15 44.920 13.635 -2.075 112 HA PHE 15 HA PHE 15 42.478 13.745 -3.727 113 HB2 PHE 15 HB2 PHE 15 44.822 14.312 -4.550 114 HB3 PHE 15 HB1 PHE 15 45.208 12.579 -4.421 115 HD1 PHE 15 HD1 PHE 15 44.881 11.254 -6.351 116 HD2 PHE 15 HD2 PHE 15 42.511 14.828 -5.827 117 HE1 PHE 15 HE1 PHE 15 43.823 10.883 -8.575 118 HE2 PHE 15 HE2 PHE 15 41.453 14.450 -8.048 119 HZ PHE 15 HZ PHE 15 42.161 12.518 -9.451 120 H ILE 16 HN ILE 16 40.994 12.222 -3.236 121 HA ILE 16 HA ILE 16 40.155 10.163 -2.523 122 HB ILE 16 HB ILE 16 40.700 8.268 -4.112 123 HG12 ILE 16 HG12 ILE 16 42.381 10.400 -5.517 124 HG13 ILE 16 HG11 ILE 16 43.065 9.039 -4.603 125 HG21 ILE 16 HG21 ILE 16 40.061 10.902 -5.506 126 HG22 ILE 16 HG22 ILE 16 38.900 10.023 -4.483 127 HG23 ILE 16 HG23 ILE 16 39.519 9.274 -5.970 128 HD11 ILE 16 HD1 ILE 16 41.496 8.987 -7.197 129 HD12 ILE 16 HD2 ILE 16 41.586 7.540 -6.164 130 HD13 ILE 16 HD3 ILE 16 43.072 8.252 -6.830 131 H HIS 17 HN HIS 17 41.778 10.689 -0.634 132 HA HIS 17 HA HIS 17 43.131 8.101 -0.054 133 HB2 HIS 17 HB2 HIS 17 44.899 9.571 -1.014 134 HB3 HIS 17 HB1 HIS 17 44.529 10.794 0.224 135 HD1 HIS 17 HD1 HIS 17 46.552 7.793 -0.396 136 HD2 HIS 17 HD2 HIS 17 44.915 9.688 2.984 137 HE1 HIS 17 HE1 HIS 17 47.785 6.893 1.655 138 H GLY 18 HN GLY 18 41.742 11.205 0.916 139 HA2 GLY 18 HA1 GLY 18 42.115 11.109 3.704 140 HA3 GLY 18 HA2 GLY 18 40.667 11.765 2.891 141 H MET 19 HN MET 19 39.590 9.762 1.684 142 HA MET 19 HA MET 19 39.258 7.307 2.915 143 HB2 MET 19 HB2 MET 19 38.585 8.462 4.987 144 HB3 MET 19 HB1 MET 19 37.352 9.334 4.062 145 HG2 MET 19 HG2 MET 19 35.930 7.493 3.987 146 HG3 MET 19 HG1 MET 19 37.271 6.325 3.892 147 HE1 MET 19 HE1 MET 19 34.798 5.673 5.519 148 HE2 MET 19 HE2 MET 19 35.493 5.065 7.041 149 HE3 MET 19 HE3 MET 19 36.263 4.662 5.487 150 H ILE 20 HN ILE 20 39.103 9.152 0.544 151 HA ILE 20 HA ILE 20 37.847 9.188 -1.401 152 HB ILE 20 HB ILE 20 36.132 6.879 -0.362 153 HG12 ILE 20 HG12 ILE 20 38.369 6.071 -0.003 154 HG13 ILE 20 HG11 ILE 20 37.817 5.353 -1.527 155 HG21 ILE 20 HG21 ILE 20 36.869 7.968 -3.102 156 HG22 ILE 20 HG22 ILE 20 35.264 7.749 -2.381 157 HG23 ILE 20 HG23 ILE 20 36.208 6.332 -2.888 158 HD11 ILE 20 HD1 ILE 20 40.087 6.128 -1.854 159 HD12 ILE 20 HD2 ILE 20 39.705 7.725 -1.177 160 HD13 ILE 20 HD3 ILE 20 39.025 7.236 -2.745 161 H GLN 21 HN GLN 21 36.930 9.400 1.803 162 HA GLN 21 HA GLN 21 34.303 10.792 1.085 163 HB2 GLN 21 HB2 GLN 21 34.285 8.688 2.616 164 HB3 GLN 21 HB1 GLN 21 35.043 9.731 3.838 165 HG2 GLN 21 HG2 GLN 21 32.421 10.390 2.417 166 HG3 GLN 21 HG1 GLN 21 32.530 9.621 4.017 167 HE21 GLN 21 HE21 GLN 21 31.457 12.369 3.222 168 HE22 GLN 21 HE22 GLN 21 32.379 13.495 4.226 169 H ASN 22 HN ASN 22 37.401 10.942 2.879 170 HA ASN 22 HA ASN 22 36.737 13.743 3.735 171 HB2 ASN 22 HB2 ASN 22 38.921 11.754 4.472 172 HB3 ASN 22 HB1 ASN 22 39.013 13.473 4.923 173 HD21 ASN 22 HD21 ASN 22 38.305 13.784 7.027 174 HD22 ASN 22 HD22 ASN 22 36.963 12.909 7.770 175 H HIS 23 HN HIS 23 38.182 11.914 1.295 176 HA HIS 23 HA HIS 23 40.454 13.377 0.537 177 HB2 HIS 23 HB2 HIS 23 40.057 12.506 -1.703 178 HB3 HIS 23 HB1 HIS 23 39.635 11.263 -0.506 179 HD1 HIS 23 HD1 HIS 23 38.431 11.469 -3.465 180 HD2 HIS 23 HD2 HIS 23 36.569 12.931 0.006 181 HE1 HIS 23 HE1 HIS 23 35.917 11.521 -3.911 182 H HIS 24 HN HIS 24 37.239 14.477 0.776 183 HA HIS 24 HA HIS 24 37.413 16.485 -1.369 184 HB2 HIS 24 HB2 HIS 24 35.453 15.996 0.906 185 HB3 HIS 24 HB1 HIS 24 35.297 17.351 -0.238 186 HD1 HIS 24 HD1 HIS 24 35.779 16.281 -2.928 187 HD2 HIS 24 HD2 HIS 24 33.788 14.001 -0.010 188 HE1 HIS 24 HE1 HIS 24 34.448 14.474 -4.150 Start of MODEL 7 1 H1 PHE 1 HT1 PHE 1 61.669 5.902 -8.732 2 H2 PHE 1 HT2 PHE 1 60.122 6.408 -9.220 3 H3 PHE 1 HT3 PHE 1 61.355 6.198 -10.370 4 HA PHE 1 HA PHE 1 59.544 4.417 -10.065 5 HB2 PHE 1 HB2 PHE 1 61.166 2.722 -10.792 6 HB3 PHE 1 HB1 PHE 1 61.505 4.281 -11.582 7 HD1 PHE 1 HD1 PHE 1 63.425 5.673 -10.867 8 HD2 PHE 1 HD2 PHE 1 62.680 1.797 -9.121 9 HE1 PHE 1 HE1 PHE 1 65.729 5.659 -9.918 10 HE2 PHE 1 HE2 PHE 1 64.985 1.782 -8.173 11 HZ PHE 1 HZ PHE 1 66.507 3.716 -8.565 12 H LEU 2 HN LEU 2 60.870 5.476 -7.345 13 HA LEU 2 HA LEU 2 61.465 3.032 -5.909 14 HB2 LEU 2 HB2 LEU 2 60.482 5.612 -4.647 15 HB3 LEU 2 HB1 LEU 2 61.599 4.401 -3.977 16 HG LEU 2 HG LEU 2 62.136 6.287 -6.313 17 HD11 LEU 2 HD11 LEU 2 62.237 7.204 -3.951 18 HD12 LEU 2 HD12 LEU 2 63.779 7.284 -4.836 19 HD13 LEU 2 HD13 LEU 2 63.520 6.018 -3.611 20 HD21 LEU 2 HD21 LEU 2 64.496 5.254 -6.095 21 HD22 LEU 2 HD22 LEU 2 63.253 4.239 -6.862 22 HD23 LEU 2 HD23 LEU 2 63.718 3.948 -5.168 23 H GLY 3 HN GLY 3 60.131 1.517 -5.204 24 HA2 GLY 3 HA1 GLY 3 57.340 1.567 -5.622 25 HA3 GLY 3 HA2 GLY 3 58.187 0.484 -4.500 26 H ALA 4 HN ALA 4 59.182 3.196 -3.246 27 HA ALA 4 HA ALA 4 57.346 3.159 -1.052 28 HB1 ALA 4 HB1 ALA 4 59.590 3.954 -0.728 29 HB2 ALA 4 HB2 ALA 4 58.490 5.321 -0.428 30 HB3 ALA 4 HB3 ALA 4 59.382 5.214 -1.965 31 H LEU 5 HN LEU 5 55.640 4.442 -0.469 32 HA LEU 5 HA LEU 5 54.159 5.666 -2.663 33 HB2 LEU 5 HB2 LEU 5 53.543 5.937 0.299 34 HB3 LEU 5 HB1 LEU 5 52.413 5.977 -1.076 35 HG LEU 5 HG LEU 5 54.029 3.558 -0.148 36 HD11 LEU 5 HD11 LEU 5 52.157 4.128 1.352 37 HD12 LEU 5 HD12 LEU 5 51.786 2.651 0.431 38 HD13 LEU 5 HD13 LEU 5 51.049 4.202 -0.038 39 HD21 LEU 5 HD21 LEU 5 53.780 3.350 -2.519 40 HD22 LEU 5 HD22 LEU 5 52.135 4.029 -2.489 41 HD23 LEU 5 HD23 LEU 5 52.440 2.400 -1.840 42 H ILE 6 HN ILE 6 56.112 7.138 -3.119 43 HA ILE 6 HA ILE 6 56.248 9.514 -1.292 44 HB ILE 6 HB ILE 6 57.986 10.323 -2.858 45 HG12 ILE 6 HG12 ILE 6 57.226 7.873 -4.522 46 HG13 ILE 6 HG11 ILE 6 57.000 9.573 -4.990 47 HG21 ILE 6 HG21 ILE 6 58.449 7.342 -2.460 48 HG22 ILE 6 HG22 ILE 6 58.464 8.502 -1.109 49 HG23 ILE 6 HG23 ILE 6 59.649 8.657 -2.427 50 HD11 ILE 6 HD1 ILE 6 59.576 9.800 -4.652 51 HD12 ILE 6 HD2 ILE 6 58.998 8.942 -6.100 52 HD13 ILE 6 HD3 ILE 6 59.591 8.020 -4.699 53 H LYS 7 HN LYS 7 56.761 11.375 -3.568 54 HA LYS 7 HA LYS 7 55.394 13.072 -4.401 55 HB2 LYS 7 HB2 LYS 7 53.721 10.633 -5.175 56 HB3 LYS 7 HB1 LYS 7 53.174 12.292 -5.518 57 HG2 LYS 7 HG2 LYS 7 55.031 12.727 -6.957 58 HG3 LYS 7 HG1 LYS 7 55.915 11.294 -6.382 59 HD2 LYS 7 HD2 LYS 7 54.947 10.858 -8.604 60 HD3 LYS 7 HD1 LYS 7 54.170 9.828 -7.381 61 HE2 LYS 7 HE2 LYS 7 52.195 11.160 -7.351 62 HE3 LYS 7 HE1 LYS 7 52.993 12.514 -8.188 63 HZ1 LYS 7 HZ1 LYS 7 53.342 10.576 -9.967 64 HZ2 LYS 7 HZ2 LYS 7 51.977 11.587 -9.957 65 HZ3 LYS 7 HZ3 LYS 7 51.894 10.038 -9.267 66 H GLY 8 HN GLY 8 55.592 11.850 -1.996 67 HA2 GLY 8 HA1 GLY 8 54.792 11.433 0.023 68 HA3 GLY 8 HA2 GLY 8 54.234 13.148 -0.079 69 H ALA 9 HN ALA 9 53.385 9.766 -0.636 70 HA ALA 9 HA ALA 9 51.376 8.649 -0.568 71 HB1 ALA 9 HB1 ALA 9 51.293 9.864 1.670 72 HB2 ALA 9 HB2 ALA 9 49.723 9.370 0.993 73 HB3 ALA 9 HB3 ALA 9 50.248 11.067 0.877 74 H ILE 10 HN ILE 10 51.578 9.241 -2.945 75 HA ILE 10 HA ILE 10 50.505 9.757 -4.901 76 HB ILE 10 HB ILE 10 48.228 9.674 -2.948 77 HG12 ILE 10 HG12 ILE 10 49.159 7.797 -4.482 78 HG13 ILE 10 HG11 ILE 10 47.398 7.980 -4.362 79 HG21 ILE 10 HG21 ILE 10 46.579 10.419 -4.774 80 HG22 ILE 10 HG22 ILE 10 47.963 11.229 -5.544 81 HG23 ILE 10 HG23 ILE 10 47.451 11.700 -3.905 82 HD11 ILE 10 HD1 ILE 10 48.433 7.677 -6.734 83 HD12 ILE 10 HD2 ILE 10 48.962 9.365 -6.576 84 HD13 ILE 10 HD3 ILE 10 47.231 8.967 -6.517 85 H HIS 11 HN HIS 11 49.087 12.136 -2.589 86 HA HIS 11 HA HIS 11 50.686 14.293 -3.773 87 HB2 HIS 11 HB2 HIS 11 48.751 13.959 -5.393 88 HB3 HIS 11 HB1 HIS 11 47.658 14.409 -4.062 89 HD1 HIS 11 HD1 HIS 11 50.889 15.845 -5.608 90 HD2 HIS 11 HD2 HIS 11 47.206 17.124 -4.031 91 HE1 HIS 11 HE1 HIS 11 50.796 18.386 -5.858 92 H GLY 12 HN GLY 12 49.425 12.755 -1.269 93 HA2 GLY 12 HA1 GLY 12 49.781 13.724 0.954 94 HA3 GLY 12 HA2 GLY 12 49.134 15.269 0.369 95 H GLY 13 HN GLY 13 47.762 12.092 -0.385 96 HA2 GLY 13 HA1 GLY 13 45.606 11.310 -0.028 97 HA3 GLY 13 HA2 GLY 13 45.902 11.780 1.658 98 H ARG 14 HN ARG 14 44.831 13.013 -1.507 99 HA ARG 14 HA ARG 14 42.523 14.282 -0.361 100 HB2 ARG 14 HB2 ARG 14 44.129 15.917 0.504 101 HB3 ARG 14 HB1 ARG 14 44.858 16.094 -1.105 102 HG2 ARG 14 HG2 ARG 14 43.286 17.962 -0.541 103 HG3 ARG 14 HG1 ARG 14 42.788 17.066 -1.991 104 HD2 ARG 14 HD2 ARG 14 40.975 17.634 -0.190 105 HD3 ARG 14 HD1 ARG 14 41.005 15.988 -0.862 106 HE ARG 14 HE ARG 14 42.656 16.158 1.509 107 HH11 ARG 14 HH11 ARG 14 41.150 16.754 3.432 108 HH12 ARG 14 HH12 ARG 14 39.761 15.722 3.527 109 HH21 ARG 14 HH21 ARG 14 40.111 14.508 0.298 110 HH22 ARG 14 HH22 ARG 14 39.174 14.451 1.754 111 H PHE 15 HN PHE 15 44.787 13.640 -2.905 112 HA PHE 15 HA PHE 15 43.621 14.936 -5.111 113 HB2 PHE 15 HB2 PHE 15 45.725 13.589 -5.155 114 HB3 PHE 15 HB1 PHE 15 44.744 12.107 -5.066 115 HD1 PHE 15 HD1 PHE 15 43.392 11.368 -6.963 116 HD2 PHE 15 HD2 PHE 15 45.674 15.026 -7.160 117 HE1 PHE 15 HE1 PHE 15 43.053 11.447 -9.431 118 HE2 PHE 15 HE2 PHE 15 45.334 15.105 -9.627 119 HZ PHE 15 HZ PHE 15 44.050 13.299 -10.766 120 H ILE 16 HN ILE 16 42.997 11.520 -4.143 121 HA ILE 16 HA ILE 16 40.639 11.412 -5.823 122 HB ILE 16 HB ILE 16 41.841 9.356 -5.413 123 HG12 ILE 16 HG12 ILE 16 40.030 7.878 -4.675 124 HG13 ILE 16 HG11 ILE 16 39.193 9.226 -3.882 125 HG21 ILE 16 HG21 ILE 16 42.534 10.202 -2.986 126 HG22 ILE 16 HG22 ILE 16 42.407 8.465 -3.333 127 HG23 ILE 16 HG23 ILE 16 41.088 9.297 -2.478 128 HD11 ILE 16 HD1 ILE 16 39.864 9.358 -6.843 129 HD12 ILE 16 HD2 ILE 16 38.603 10.234 -5.941 130 HD13 ILE 16 HD3 ILE 16 38.412 8.498 -6.277 131 H HIS 17 HN HIS 17 40.863 11.035 -2.199 132 HA HIS 17 HA HIS 17 38.811 13.051 -1.814 133 HB2 HIS 17 HB2 HIS 17 37.380 11.304 -2.823 134 HB3 HIS 17 HB1 HIS 17 37.884 10.165 -1.560 135 HD1 HIS 17 HD1 HIS 17 36.775 10.343 0.734 136 HD2 HIS 17 HD2 HIS 17 35.718 13.465 -1.874 137 HE1 HIS 17 HE1 HIS 17 34.911 11.677 1.860 138 H GLY 18 HN GLY 18 41.349 12.469 -0.706 139 HA2 GLY 18 HA1 GLY 18 41.761 13.108 1.674 140 HA3 GLY 18 HA2 GLY 18 40.621 11.825 2.145 141 H MET 19 HN MET 19 41.284 9.958 0.295 142 HA MET 19 HA MET 19 43.615 9.083 -0.366 143 HB2 MET 19 HB2 MET 19 45.027 9.519 1.434 144 HB3 MET 19 HB1 MET 19 43.783 9.148 2.626 145 HG2 MET 19 HG2 MET 19 44.114 6.808 2.424 146 HG3 MET 19 HG1 MET 19 44.907 6.974 0.840 147 HE1 MET 19 HE1 MET 19 47.108 5.803 1.100 148 HE2 MET 19 HE2 MET 19 46.241 5.110 2.492 149 HE3 MET 19 HE3 MET 19 47.929 5.648 2.672 150 H ILE 20 HN ILE 20 42.205 8.073 -1.617 151 HA ILE 20 HA ILE 20 40.922 6.265 -2.298 152 HB ILE 20 HB ILE 20 41.752 4.745 0.217 153 HG12 ILE 20 HG12 ILE 20 43.344 5.047 -2.376 154 HG13 ILE 20 HG11 ILE 20 43.787 5.767 -0.815 155 HG21 ILE 20 HG21 ILE 20 41.403 3.717 -2.635 156 HG22 ILE 20 HG22 ILE 20 40.026 3.866 -1.523 157 HG23 ILE 20 HG23 ILE 20 41.380 2.794 -1.114 158 HD11 ILE 20 HD1 ILE 20 43.680 3.349 0.125 159 HD12 ILE 20 HD2 ILE 20 45.061 3.766 -0.917 160 HD13 ILE 20 HD3 ILE 20 43.699 2.832 -1.579 161 H GLN 21 HN GLN 21 40.377 8.405 -0.356 162 HA GLN 21 HA GLN 21 38.298 9.171 0.506 163 HB2 GLN 21 HB2 GLN 21 37.228 6.968 -0.566 164 HB3 GLN 21 HB1 GLN 21 37.329 6.347 1.098 165 HG2 GLN 21 HG2 GLN 21 36.126 8.482 1.838 166 HG3 GLN 21 HG1 GLN 21 35.827 8.807 0.114 167 HE21 GLN 21 HE21 GLN 21 33.455 8.575 0.854 168 HE22 GLN 21 HE22 GLN 21 32.791 6.938 0.890 169 H ASN 22 HN ASN 22 40.840 8.526 1.470 170 HA ASN 22 HA ASN 22 42.030 8.108 3.380 171 HB2 ASN 22 HB2 ASN 22 41.170 9.347 5.371 172 HB3 ASN 22 HB1 ASN 22 41.213 10.291 3.853 173 HD21 ASN 22 HD21 ASN 22 39.197 10.951 2.897 174 HD22 ASN 22 HD22 ASN 22 37.649 10.701 3.712 175 H HIS 23 HN HIS 23 41.243 5.897 2.680 176 HA HIS 23 HA HIS 23 40.431 4.539 5.242 177 HB2 HIS 23 HB2 HIS 23 39.060 4.186 2.546 178 HB3 HIS 23 HB1 HIS 23 38.944 2.994 3.863 179 HD1 HIS 23 HD1 HIS 23 38.870 5.123 6.231 180 HD2 HIS 23 HD2 HIS 23 36.373 5.063 2.852 181 HE1 HIS 23 HE1 HIS 23 36.768 6.455 6.813 182 H HIS 24 HN HIS 24 41.121 2.377 5.405 183 HA HIS 24 HA HIS 24 42.722 0.720 5.128 184 HB2 HIS 24 HB2 HIS 24 42.390 1.242 2.153 185 HB3 HIS 24 HB1 HIS 24 42.889 -0.272 2.945 186 HD1 HIS 24 HD1 HIS 24 40.372 1.027 5.097 187 HD2 HIS 24 HD2 HIS 24 40.252 -0.817 1.318 188 HE1 HIS 24 HE1 HIS 24 38.014 0.096 4.777 Start of MODEL 8 1 H1 PHE 1 HT1 PHE 1 51.592 1.792 -4.853 2 H2 PHE 1 HT2 PHE 1 53.139 2.463 -5.059 3 H3 PHE 1 HT3 PHE 1 52.962 0.922 -4.365 4 HA PHE 1 HA PHE 1 53.132 -0.009 -6.308 5 HB2 PHE 1 HB2 PHE 1 50.801 1.792 -7.081 6 HB3 PHE 1 HB1 PHE 1 51.350 0.358 -7.982 7 HD1 PHE 1 HD1 PHE 1 50.958 -1.898 -7.133 8 HD2 PHE 1 HD2 PHE 1 49.740 1.565 -4.861 9 HE1 PHE 1 HE1 PHE 1 49.582 -3.354 -5.651 10 HE2 PHE 1 HE2 PHE 1 48.366 0.108 -3.379 11 HZ PHE 1 HZ PHE 1 48.332 -2.357 -3.740 12 H LEU 2 HN LEU 2 53.127 3.474 -6.188 13 HA LEU 2 HA LEU 2 53.920 4.155 -8.791 14 HB2 LEU 2 HB2 LEU 2 53.456 5.713 -6.836 15 HB3 LEU 2 HB1 LEU 2 55.089 5.337 -6.248 16 HG LEU 2 HG LEU 2 55.949 6.075 -8.565 17 HD11 LEU 2 HD11 LEU 2 53.039 6.952 -8.744 18 HD12 LEU 2 HD12 LEU 2 54.037 6.138 -9.970 19 HD13 LEU 2 HD13 LEU 2 54.314 7.850 -9.598 20 HD21 LEU 2 HD21 LEU 2 54.556 8.134 -6.793 21 HD22 LEU 2 HD22 LEU 2 55.886 8.468 -7.928 22 HD23 LEU 2 HD23 LEU 2 56.168 7.438 -6.502 23 H GLY 3 HN GLY 3 56.272 3.943 -6.095 24 HA2 GLY 3 HA1 GLY 3 57.976 1.986 -7.100 25 HA3 GLY 3 HA2 GLY 3 58.456 3.471 -7.946 26 H ALA 4 HN ALA 4 57.169 4.444 -5.074 27 HA ALA 4 HA ALA 4 59.425 3.882 -3.305 28 HB1 ALA 4 HB1 ALA 4 59.125 6.689 -4.434 29 HB2 ALA 4 HB2 ALA 4 60.450 5.560 -4.805 30 HB3 ALA 4 HB3 ALA 4 60.250 6.186 -3.150 31 H LEU 5 HN LEU 5 56.292 4.716 -3.999 32 HA LEU 5 HA LEU 5 54.493 5.413 -2.710 33 HB2 LEU 5 HB2 LEU 5 56.330 4.164 -0.638 34 HB3 LEU 5 HB1 LEU 5 54.733 4.806 -0.198 35 HG LEU 5 HG LEU 5 53.689 3.325 -1.923 36 HD11 LEU 5 HD11 LEU 5 56.590 2.488 -2.303 37 HD12 LEU 5 HD12 LEU 5 55.394 2.955 -3.536 38 HD13 LEU 5 HD13 LEU 5 55.250 1.390 -2.708 39 HD21 LEU 5 HD21 LEU 5 53.869 2.594 0.434 40 HD22 LEU 5 HD22 LEU 5 55.482 1.913 0.108 41 HD23 LEU 5 HD23 LEU 5 54.043 1.207 -0.668 42 H ILE 6 HN ILE 6 54.830 7.633 -3.246 43 HA ILE 6 HA ILE 6 55.184 9.289 -0.828 44 HB ILE 6 HB ILE 6 56.902 10.805 -1.938 45 HG12 ILE 6 HG12 ILE 6 57.242 8.453 -3.853 46 HG13 ILE 6 HG11 ILE 6 56.490 10.009 -4.274 47 HG21 ILE 6 HG21 ILE 6 57.464 8.949 -0.252 48 HG22 ILE 6 HG22 ILE 6 58.806 9.541 -1.256 49 HG23 ILE 6 HG23 ILE 6 58.020 7.993 -1.647 50 HD11 ILE 6 HD1 ILE 6 58.708 11.090 -3.452 51 HD12 ILE 6 HD2 ILE 6 58.741 10.225 -5.007 52 HD13 ILE 6 HD3 ILE 6 59.385 9.445 -3.544 53 H LYS 7 HN LYS 7 55.479 11.786 -2.199 54 HA LYS 7 HA LYS 7 53.867 13.318 -2.895 55 HB2 LYS 7 HB2 LYS 7 53.052 11.038 -4.782 56 HB3 LYS 7 HB1 LYS 7 52.390 12.688 -4.854 57 HG2 LYS 7 HG2 LYS 7 54.506 13.629 -5.455 58 HG3 LYS 7 HG1 LYS 7 55.379 12.140 -5.019 59 HD2 LYS 7 HD2 LYS 7 55.161 12.325 -7.471 60 HD3 LYS 7 HD1 LYS 7 54.233 10.934 -6.867 61 HE2 LYS 7 HE2 LYS 7 52.155 12.063 -7.124 62 HE3 LYS 7 HE1 LYS 7 52.936 13.657 -7.262 63 HZ1 LYS 7 HZ1 LYS 7 52.456 11.665 -9.281 64 HZ2 LYS 7 HZ2 LYS 7 54.064 12.212 -9.270 65 HZ3 LYS 7 HZ3 LYS 7 52.787 13.320 -9.447 66 H GLY 8 HN GLY 8 53.945 11.355 -1.032 67 HA2 GLY 8 HA1 GLY 8 52.990 10.201 0.545 68 HA3 GLY 8 HA2 GLY 8 51.753 11.517 0.606 69 H ALA 9 HN ALA 9 52.680 8.720 -1.416 70 HA ALA 9 HA ALA 9 51.451 6.979 -2.299 71 HB1 ALA 9 HB1 ALA 9 49.332 7.604 -0.227 72 HB2 ALA 9 HB2 ALA 9 50.850 6.759 0.160 73 HB3 ALA 9 HB3 ALA 9 49.701 6.041 -0.993 74 H ILE 10 HN ILE 10 50.551 10.120 -2.521 75 HA ILE 10 HA ILE 10 48.785 9.559 -4.791 76 HB ILE 10 HB ILE 10 47.018 11.303 -3.594 77 HG12 ILE 10 HG12 ILE 10 47.934 9.472 -1.330 78 HG13 ILE 10 HG11 ILE 10 48.410 11.179 -1.465 79 HG21 ILE 10 HG21 ILE 10 45.499 9.494 -3.328 80 HG22 ILE 10 HG22 ILE 10 46.798 8.321 -3.034 81 HG23 ILE 10 HG23 ILE 10 46.564 9.004 -4.659 82 HD11 ILE 10 HD1 ILE 10 46.515 11.185 -0.023 83 HD12 ILE 10 HD2 ILE 10 45.632 10.022 -1.037 84 HD13 ILE 10 HD3 ILE 10 45.871 11.694 -1.600 85 H HIS 11 HN HIS 11 48.491 12.435 -2.766 86 HA HIS 11 HA HIS 11 50.410 13.933 -4.502 87 HB2 HIS 11 HB2 HIS 11 48.109 14.057 -5.542 88 HB3 HIS 11 HB1 HIS 11 47.539 14.839 -4.049 89 HD1 HIS 11 HD1 HIS 11 51.020 15.740 -4.824 90 HD2 HIS 11 HD2 HIS 11 47.220 17.128 -5.970 91 HE1 HIS 11 HE1 HIS 11 51.325 18.088 -5.785 92 H GLY 12 HN GLY 12 50.081 12.988 -1.613 93 HA2 GLY 12 HA1 GLY 12 50.901 13.919 0.365 94 HA3 GLY 12 HA2 GLY 12 50.982 15.508 -0.417 95 H GLY 13 HN GLY 13 48.335 13.171 0.252 96 HA2 GLY 13 HA1 GLY 13 46.272 13.510 1.239 97 HA3 GLY 13 HA2 GLY 13 47.123 14.602 2.350 98 H ARG 14 HN ARG 14 45.644 14.435 -0.903 99 HA ARG 14 HA ARG 14 44.196 16.900 -0.434 100 HB2 ARG 14 HB2 ARG 14 46.483 17.814 -0.884 101 HB3 ARG 14 HB1 ARG 14 46.461 17.012 -2.469 102 HG2 ARG 14 HG2 ARG 14 45.809 19.359 -2.734 103 HG3 ARG 14 HG1 ARG 14 44.409 18.321 -3.074 104 HD2 ARG 14 HD2 ARG 14 43.296 18.957 -1.107 105 HD3 ARG 14 HD1 ARG 14 44.806 19.359 -0.253 106 HE ARG 14 HE ARG 14 44.607 21.188 -2.383 107 HH11 ARG 14 HH11 ARG 14 44.177 21.164 0.844 108 HH12 ARG 14 HH12 ARG 14 42.875 22.305 0.907 109 HH21 ARG 14 HH21 ARG 14 42.321 22.265 -2.515 110 HH22 ARG 14 HH22 ARG 14 41.825 22.928 -0.994 111 H PHE 15 HN PHE 15 45.377 14.352 -2.547 112 HA PHE 15 HA PHE 15 43.452 14.876 -4.680 113 HB2 PHE 15 HB2 PHE 15 45.643 13.643 -4.961 114 HB3 PHE 15 HB1 PHE 15 44.924 12.288 -4.061 115 HD1 PHE 15 HD1 PHE 15 43.154 10.915 -5.032 116 HD2 PHE 15 HD2 PHE 15 44.780 14.283 -7.188 117 HE1 PHE 15 HE1 PHE 15 42.049 10.115 -7.117 118 HE2 PHE 15 HE2 PHE 15 43.675 13.481 -9.273 119 HZ PHE 15 HZ PHE 15 42.277 11.419 -9.228 120 H ILE 16 HN ILE 16 43.461 13.198 -1.630 121 HA ILE 16 HA ILE 16 40.611 12.807 -1.731 122 HB ILE 16 HB ILE 16 41.051 10.956 -3.202 123 HG12 ILE 16 HG12 ILE 16 40.777 9.495 -0.550 124 HG13 ILE 16 HG11 ILE 16 39.535 10.679 -1.013 125 HG21 ILE 16 HG21 ILE 16 43.021 9.856 -1.148 126 HG22 ILE 16 HG22 ILE 16 43.488 10.744 -2.615 127 HG23 ILE 16 HG23 ILE 16 42.642 9.186 -2.750 128 HD11 ILE 16 HD1 ILE 16 40.439 8.299 -2.695 129 HD12 ILE 16 HD2 ILE 16 39.188 9.479 -3.152 130 HD13 ILE 16 HD3 ILE 16 38.928 8.400 -1.760 131 H HIS 17 HN HIS 17 41.446 14.180 0.076 132 HA HIS 17 HA HIS 17 41.202 12.700 2.539 133 HB2 HIS 17 HB2 HIS 17 43.593 12.159 1.974 134 HB3 HIS 17 HB1 HIS 17 43.951 13.902 2.014 135 HD1 HIS 17 HD1 HIS 17 41.756 11.810 4.377 136 HD2 HIS 17 HD2 HIS 17 45.146 14.296 4.476 137 HE1 HIS 17 HE1 HIS 17 42.459 12.041 6.822 138 H GLY 18 HN GLY 18 41.691 15.515 0.626 139 HA2 GLY 18 HA1 GLY 18 40.372 17.169 2.674 140 HA3 GLY 18 HA2 GLY 18 42.029 17.657 2.266 141 H MET 19 HN MET 19 39.280 16.384 0.375 142 HA MET 19 HA MET 19 38.688 18.842 -1.028 143 HB2 MET 19 HB2 MET 19 40.891 18.333 -1.901 144 HB3 MET 19 HB1 MET 19 40.295 16.759 -2.405 145 HG2 MET 19 HG2 MET 19 38.659 17.847 -3.918 146 HG3 MET 19 HG1 MET 19 39.232 19.443 -3.380 147 HE1 MET 19 HE1 MET 19 40.325 18.696 -7.137 148 HE2 MET 19 HE2 MET 19 38.924 19.056 -6.100 149 HE3 MET 19 HE3 MET 19 39.368 17.366 -6.440 150 H ILE 20 HN ILE 20 39.106 15.380 -1.918 151 HA ILE 20 HA ILE 20 36.341 15.194 -2.863 152 HB ILE 20 HB ILE 20 38.106 12.928 -1.804 153 HG12 ILE 20 HG12 ILE 20 39.467 13.913 -3.484 154 HG13 ILE 20 HG11 ILE 20 38.624 12.612 -4.341 155 HG21 ILE 20 HG21 ILE 20 35.650 13.060 -3.598 156 HG22 ILE 20 HG22 ILE 20 35.854 12.193 -2.063 157 HG23 ILE 20 HG23 ILE 20 36.696 11.623 -3.519 158 HD11 ILE 20 HD1 ILE 20 38.059 15.605 -4.431 159 HD12 ILE 20 HD2 ILE 20 36.893 14.403 -5.031 160 HD13 ILE 20 HD3 ILE 20 38.500 14.526 -5.776 161 H GLN 21 HN GLN 21 37.979 15.752 -0.100 162 HA GLN 21 HA GLN 21 35.769 14.910 1.720 163 HB2 GLN 21 HB2 GLN 21 37.973 13.847 2.242 164 HB3 GLN 21 HB1 GLN 21 38.707 15.466 2.342 165 HG2 GLN 21 HG2 GLN 21 37.267 16.075 4.203 166 HG3 GLN 21 HG1 GLN 21 36.333 14.569 4.032 167 HE21 GLN 21 HE21 GLN 21 37.727 15.335 6.480 168 HE22 GLN 21 HE22 GLN 21 39.005 14.141 6.734 169 H ASN 22 HN ASN 22 37.948 17.517 0.339 170 HA ASN 22 HA ASN 22 36.272 19.459 2.046 171 HB2 ASN 22 HB2 ASN 22 39.082 19.947 1.012 172 HB3 ASN 22 HB1 ASN 22 38.113 21.009 2.050 173 HD21 ASN 22 HD21 ASN 22 37.082 18.273 3.322 174 HD22 ASN 22 HD22 ASN 22 38.360 17.926 4.491 175 H HIS 23 HN HIS 23 35.486 18.400 -0.537 176 HA HIS 23 HA HIS 23 34.775 19.155 -2.612 177 HB2 HIS 23 HB2 HIS 23 34.632 21.737 -1.011 178 HB3 HIS 23 HB1 HIS 23 33.896 21.505 -2.616 179 HD1 HIS 23 HD1 HIS 23 32.022 19.599 -2.814 180 HD2 HIS 23 HD2 HIS 23 33.221 20.525 1.106 181 HE1 HIS 23 HE1 HIS 23 30.243 18.669 -1.233 182 H HIS 24 HN HIS 24 36.212 22.296 -1.809 183 HA HIS 24 HA HIS 24 38.660 21.859 -3.288 184 HB2 HIS 24 HB2 HIS 24 37.069 21.818 -5.195 185 HB3 HIS 24 HB1 HIS 24 36.481 23.430 -4.720 186 HD1 HIS 24 HD1 HIS 24 37.656 25.367 -5.763 187 HD2 HIS 24 HD2 HIS 24 40.093 21.943 -5.619 188 HE1 HIS 24 HE1 HIS 24 39.833 25.927 -6.978 Start of MODEL 9 1 H1 PHE 1 HT1 PHE 1 53.106 2.965 -12.247 2 H2 PHE 1 HT2 PHE 1 52.182 3.270 -10.854 3 H3 PHE 1 HT3 PHE 1 52.163 1.730 -11.571 4 HA PHE 1 HA PHE 1 53.496 1.746 -9.589 5 HB2 PHE 1 HB2 PHE 1 55.255 1.534 -12.058 6 HB3 PHE 1 HB1 PHE 1 55.402 0.634 -10.529 7 HD1 PHE 1 HD1 PHE 1 53.406 1.046 -13.640 8 HD2 PHE 1 HD2 PHE 1 53.948 -1.253 -10.026 9 HE1 PHE 1 HE1 PHE 1 51.887 -0.716 -14.532 10 HE2 PHE 1 HE2 PHE 1 52.428 -3.015 -10.920 11 HZ PHE 1 HZ PHE 1 51.430 -2.765 -13.189 12 H LEU 2 HN LEU 2 53.773 3.652 -8.457 13 HA LEU 2 HA LEU 2 55.344 5.857 -9.480 14 HB2 LEU 2 HB2 LEU 2 54.320 5.049 -6.739 15 HB3 LEU 2 HB1 LEU 2 55.394 6.455 -6.933 16 HG LEU 2 HG LEU 2 53.816 7.480 -8.515 17 HD11 LEU 2 HD11 LEU 2 52.826 5.619 -9.637 18 HD12 LEU 2 HD12 LEU 2 51.499 6.344 -8.701 19 HD13 LEU 2 HD13 LEU 2 52.303 4.870 -8.109 20 HD21 LEU 2 HD21 LEU 2 51.938 7.869 -6.924 21 HD22 LEU 2 HD22 LEU 2 53.516 7.910 -6.101 22 HD23 LEU 2 HD23 LEU 2 52.475 6.471 -5.963 23 H GLY 3 HN GLY 3 56.138 2.779 -8.173 24 HA2 GLY 3 HA1 GLY 3 58.196 1.811 -7.745 25 HA3 GLY 3 HA2 GLY 3 58.950 3.207 -8.541 26 H ALA 4 HN ALA 4 56.983 4.432 -6.186 27 HA ALA 4 HA ALA 4 58.622 3.956 -3.836 28 HB1 ALA 4 HB1 ALA 4 58.914 6.646 -5.219 29 HB2 ALA 4 HB2 ALA 4 60.173 5.391 -5.131 30 HB3 ALA 4 HB3 ALA 4 59.603 6.188 -3.644 31 H LEU 5 HN LEU 5 57.341 4.235 -2.136 32 HA LEU 5 HA LEU 5 54.700 5.397 -2.480 33 HB2 LEU 5 HB2 LEU 5 56.272 4.318 -0.118 34 HB3 LEU 5 HB1 LEU 5 54.681 5.081 0.108 35 HG LEU 5 HG LEU 5 53.671 3.468 -1.473 36 HD11 LEU 5 HD11 LEU 5 55.172 1.438 -2.077 37 HD12 LEU 5 HD12 LEU 5 56.548 2.499 -1.688 38 HD13 LEU 5 HD13 LEU 5 55.423 2.939 -2.995 39 HD21 LEU 5 HD21 LEU 5 53.777 2.921 0.943 40 HD22 LEU 5 HD22 LEU 5 55.364 2.152 0.703 41 HD23 LEU 5 HD23 LEU 5 53.911 1.450 -0.047 42 H ILE 6 HN ILE 6 54.861 7.548 -3.068 43 HA ILE 6 HA ILE 6 55.303 9.399 -0.816 44 HB ILE 6 HB ILE 6 56.933 10.852 -2.133 45 HG12 ILE 6 HG12 ILE 6 57.228 8.351 -3.859 46 HG13 ILE 6 HG11 ILE 6 56.435 9.859 -4.372 47 HG21 ILE 6 HG21 ILE 6 58.896 9.688 -1.442 48 HG22 ILE 6 HG22 ILE 6 58.130 8.098 -1.664 49 HG23 ILE 6 HG23 ILE 6 57.618 9.158 -0.327 50 HD11 ILE 6 HD1 ILE 6 58.645 10.044 -5.225 51 HD12 ILE 6 HD2 ILE 6 59.367 9.385 -3.739 52 HD13 ILE 6 HD3 ILE 6 58.675 11.026 -3.741 53 H LYS 7 HN LYS 7 55.469 11.786 -2.352 54 HA LYS 7 HA LYS 7 53.798 13.234 -3.077 55 HB2 LYS 7 HB2 LYS 7 52.890 10.825 -4.752 56 HB3 LYS 7 HB1 LYS 7 52.270 12.481 -4.931 57 HG2 LYS 7 HG2 LYS 7 54.502 13.295 -5.535 58 HG3 LYS 7 HG1 LYS 7 55.190 11.674 -5.268 59 HD2 LYS 7 HD2 LYS 7 53.782 10.756 -7.071 60 HD3 LYS 7 HD1 LYS 7 53.039 12.355 -7.322 61 HE2 LYS 7 HE2 LYS 7 56.024 11.792 -7.584 62 HE3 LYS 7 HE1 LYS 7 54.890 11.845 -8.955 63 HZ1 LYS 7 HZ1 LYS 7 56.221 13.973 -7.976 64 HZ2 LYS 7 HZ2 LYS 7 54.732 14.119 -7.172 65 HZ3 LYS 7 HZ3 LYS 7 54.782 14.066 -8.869 66 H GLY 8 HN GLY 8 54.018 11.413 -1.090 67 HA2 GLY 8 HA1 GLY 8 53.163 10.349 0.614 68 HA3 GLY 8 HA2 GLY 8 51.911 11.649 0.649 69 H ALA 9 HN ALA 9 52.761 8.776 -1.304 70 HA ALA 9 HA ALA 9 51.510 6.978 -2.025 71 HB1 ALA 9 HB1 ALA 9 49.891 6.049 -0.554 72 HB2 ALA 9 HB2 ALA 9 49.540 7.631 0.181 73 HB3 ALA 9 HB3 ALA 9 51.104 6.836 0.482 74 H ILE 10 HN ILE 10 50.596 10.067 -2.372 75 HA ILE 10 HA ILE 10 48.628 9.381 -4.429 76 HB ILE 10 HB ILE 10 46.974 11.222 -3.202 77 HG12 ILE 10 HG12 ILE 10 48.038 9.509 -0.913 78 HG13 ILE 10 HG11 ILE 10 48.556 11.184 -1.198 79 HG21 ILE 10 HG21 ILE 10 46.414 8.874 -4.092 80 HG22 ILE 10 HG22 ILE 10 45.467 9.451 -2.707 81 HG23 ILE 10 HG23 ILE 10 46.775 8.279 -2.456 82 HD11 ILE 10 HD1 ILE 10 46.045 11.799 -1.148 83 HD12 ILE 10 HD2 ILE 10 46.788 11.334 0.399 84 HD13 ILE 10 HD3 ILE 10 45.779 10.168 -0.487 85 H HIS 11 HN HIS 11 48.526 12.387 -2.572 86 HA HIS 11 HA HIS 11 50.332 13.753 -4.504 87 HB2 HIS 11 HB2 HIS 11 48.055 13.767 -5.550 88 HB3 HIS 11 HB1 HIS 11 47.441 14.619 -4.113 89 HD1 HIS 11 HD1 HIS 11 50.852 15.268 -5.682 90 HD2 HIS 11 HD2 HIS 11 47.100 17.136 -5.321 91 HE1 HIS 11 HE1 HIS 11 51.100 17.652 -6.569 92 H GLY 12 HN GLY 12 50.266 13.100 -1.594 93 HA2 GLY 12 HA1 GLY 12 51.125 14.260 0.241 94 HA3 GLY 12 HA2 GLY 12 50.981 15.783 -0.657 95 H GLY 13 HN GLY 13 48.396 13.413 -0.072 96 HA2 GLY 13 HA1 GLY 13 46.428 13.601 1.127 97 HA3 GLY 13 HA2 GLY 13 47.266 14.740 2.200 98 H ARG 14 HN ARG 14 46.558 14.949 -1.299 99 HA ARG 14 HA ARG 14 44.753 17.296 -0.729 100 HB2 ARG 14 HB2 ARG 14 46.835 17.139 -2.948 101 HB3 ARG 14 HB1 ARG 14 45.742 18.499 -2.610 102 HG2 ARG 14 HG2 ARG 14 47.771 17.441 -0.593 103 HG3 ARG 14 HG1 ARG 14 48.123 18.764 -1.725 104 HD2 ARG 14 HD2 ARG 14 45.989 19.904 -0.767 105 HD3 ARG 14 HD1 ARG 14 46.110 18.713 0.550 106 HE ARG 14 HE ARG 14 47.798 21.036 0.219 107 HH11 ARG 14 HH11 ARG 14 47.224 18.142 1.889 108 HH12 ARG 14 HH12 ARG 14 48.764 18.105 2.680 109 HH21 ARG 14 HH21 ARG 14 50.023 20.823 0.934 110 HH22 ARG 14 HH22 ARG 14 50.350 19.623 2.139 111 H PHE 15 HN PHE 15 45.517 14.397 -2.464 112 HA PHE 15 HA PHE 15 43.780 14.776 -4.723 113 HB2 PHE 15 HB2 PHE 15 45.547 13.004 -4.512 114 HB3 PHE 15 HB1 PHE 15 44.501 12.163 -3.341 115 HD1 PHE 15 HD1 PHE 15 44.405 13.668 -6.799 116 HD2 PHE 15 HD2 PHE 15 42.916 10.598 -4.152 117 HE1 PHE 15 HE1 PHE 15 43.144 12.648 -8.689 118 HE2 PHE 15 HE2 PHE 15 41.657 9.579 -6.044 119 HZ PHE 15 HZ PHE 15 41.792 10.589 -8.318 120 H ILE 16 HN ILE 16 43.249 13.823 -1.378 121 HA ILE 16 HA ILE 16 40.418 14.295 -1.608 122 HB ILE 16 HB ILE 16 40.333 12.163 -2.742 123 HG12 ILE 16 HG12 ILE 16 39.482 11.296 0.038 124 HG13 ILE 16 HG11 ILE 16 38.733 12.760 -0.639 125 HG21 ILE 16 HG21 ILE 16 41.255 10.104 -1.812 126 HG22 ILE 16 HG22 ILE 16 41.788 10.956 -0.347 127 HG23 ILE 16 HG23 ILE 16 42.539 11.329 -1.915 128 HD11 ILE 16 HD1 ILE 16 38.838 10.045 -2.027 129 HD12 ILE 16 HD2 ILE 16 38.013 11.505 -2.623 130 HD13 ILE 16 HD3 ILE 16 37.432 10.693 -1.150 131 H HIS 17 HN HIS 17 41.924 15.559 -0.013 132 HA HIS 17 HA HIS 17 41.087 14.717 2.658 133 HB2 HIS 17 HB2 HIS 17 44.030 14.627 1.879 134 HB3 HIS 17 HB1 HIS 17 43.492 14.827 3.563 135 HD1 HIS 17 HD1 HIS 17 41.359 12.905 4.068 136 HD2 HIS 17 HD2 HIS 17 44.538 11.951 1.486 137 HE1 HIS 17 HE1 HIS 17 41.449 10.359 3.881 138 H GLY 18 HN GLY 18 42.401 16.825 0.314 139 HA2 GLY 18 HA1 GLY 18 41.759 19.175 1.997 140 HA3 GLY 18 HA2 GLY 18 43.439 19.038 1.433 141 H MET 19 HN MET 19 40.223 18.386 0.052 142 HA MET 19 HA MET 19 40.215 20.518 -1.883 143 HB2 MET 19 HB2 MET 19 42.048 19.191 -2.742 144 HB3 MET 19 HB1 MET 19 40.974 17.802 -2.811 145 HG2 MET 19 HG2 MET 19 39.542 18.942 -4.453 146 HG3 MET 19 HG1 MET 19 40.525 20.416 -4.311 147 HE1 MET 19 HE1 MET 19 41.239 19.100 -7.891 148 HE2 MET 19 HE2 MET 19 40.241 20.147 -6.854 149 HE3 MET 19 HE3 MET 19 39.809 18.433 -7.065 150 H ILE 20 HN ILE 20 39.517 16.997 -1.755 151 HA ILE 20 HA ILE 20 36.737 17.409 -2.604 152 HB ILE 20 HB ILE 20 38.219 15.086 -1.263 153 HG12 ILE 20 HG12 ILE 20 37.897 13.964 -3.379 154 HG13 ILE 20 HG11 ILE 20 36.765 15.215 -3.942 155 HG21 ILE 20 HG21 ILE 20 36.036 13.805 -1.687 156 HG22 ILE 20 HG22 ILE 20 35.255 15.392 -1.891 157 HG23 ILE 20 HG23 ILE 20 36.005 14.960 -0.334 158 HD11 ILE 20 HD1 ILE 20 38.511 16.839 -4.169 159 HD12 ILE 20 HD2 ILE 20 39.164 15.339 -4.871 160 HD13 ILE 20 HD3 ILE 20 39.659 15.845 -3.239 161 H GLN 21 HN GLN 21 38.733 18.144 -0.128 162 HA GLN 21 HA GLN 21 36.551 18.589 1.851 163 HB2 GLN 21 HB2 GLN 21 38.272 16.844 2.539 164 HB3 GLN 21 HB1 GLN 21 39.507 18.119 2.431 165 HG2 GLN 21 HG2 GLN 21 38.806 18.003 4.738 166 HG3 GLN 21 HG1 GLN 21 38.097 19.483 4.054 167 HE21 GLN 21 HE21 GLN 21 36.433 19.283 5.832 168 HE22 GLN 21 HE22 GLN 21 35.087 18.164 5.592 169 H ASN 22 HN ASN 22 39.356 19.796 -0.156 170 HA ASN 22 HA ASN 22 38.860 22.503 1.226 171 HB2 ASN 22 HB2 ASN 22 41.222 21.384 1.342 172 HB3 ASN 22 HB1 ASN 22 41.360 21.876 -0.360 173 HD21 ASN 22 HD21 ASN 22 42.880 23.582 -0.122 174 HD22 ASN 22 HD22 ASN 22 42.531 25.035 0.820 175 H HIS 23 HN HIS 23 37.415 21.179 -1.074 176 HA HIS 23 HA HIS 23 38.019 22.150 -3.582 177 HB2 HIS 23 HB2 HIS 23 35.997 20.832 -3.023 178 HB3 HIS 23 HB1 HIS 23 35.278 22.273 -2.264 179 HD1 HIS 23 HD1 HIS 23 37.332 23.002 -5.261 180 HD2 HIS 23 HD2 HIS 23 33.295 22.181 -4.418 181 HE1 HIS 23 HE1 HIS 23 35.978 23.629 -7.335 182 H HIS 24 HN HIS 24 38.292 24.039 -4.575 183 HA HIS 24 HA HIS 24 38.350 26.491 -3.096 184 HB2 HIS 24 HB2 HIS 24 39.687 26.100 -5.132 185 HB3 HIS 24 HB1 HIS 24 38.198 26.036 -6.104 186 HD1 HIS 24 HD1 HIS 24 37.951 28.502 -3.387 187 HD2 HIS 24 HD2 HIS 24 39.453 28.475 -7.316 188 HE1 HIS 24 HE1 HIS 24 38.177 30.934 -4.133 Start of MODEL 10 1 H1 PHE 1 HT1 PHE 1 50.130 6.379 5.315 2 H2 PHE 1 HT2 PHE 1 48.635 6.372 6.124 3 H3 PHE 1 HT3 PHE 1 48.753 7.004 4.551 4 HA PHE 1 HA PHE 1 49.160 4.192 5.345 5 HB2 PHE 1 HB2 PHE 1 46.943 5.522 3.738 6 HB3 PHE 1 HB1 PHE 1 47.086 3.784 4.095 7 HD1 PHE 1 HD1 PHE 1 46.312 7.125 5.476 8 HD2 PHE 1 HD2 PHE 1 46.741 2.926 6.379 9 HE1 PHE 1 HE1 PHE 1 45.161 7.477 7.658 10 HE2 PHE 1 HE2 PHE 1 45.591 3.278 8.562 11 HZ PHE 1 HZ PHE 1 44.863 5.566 9.230 12 H LEU 2 HN LEU 2 49.693 6.778 3.104 13 HA LEU 2 HA LEU 2 50.734 6.830 1.033 14 HB2 LEU 2 HB2 LEU 2 51.791 4.050 1.648 15 HB3 LEU 2 HB1 LEU 2 52.550 5.333 0.677 16 HG LEU 2 HG LEU 2 52.056 5.405 3.688 17 HD11 LEU 2 HD11 LEU 2 54.523 5.348 3.819 18 HD12 LEU 2 HD12 LEU 2 54.622 5.256 2.044 19 HD13 LEU 2 HD13 LEU 2 53.906 3.913 2.967 20 HD21 LEU 2 HD21 LEU 2 51.856 7.661 2.924 21 HD22 LEU 2 HD22 LEU 2 53.142 7.453 1.711 22 HD23 LEU 2 HD23 LEU 2 53.549 7.514 3.443 23 H GLY 3 HN GLY 3 51.120 5.438 -1.065 24 HA2 GLY 3 HA1 GLY 3 49.491 3.237 -1.694 25 HA3 GLY 3 HA2 GLY 3 48.494 4.678 -1.969 26 H ALA 4 HN ALA 4 51.811 5.305 -2.355 27 HA ALA 4 HA ALA 4 52.081 4.403 -5.107 28 HB1 ALA 4 HB1 ALA 4 51.714 7.388 -4.713 29 HB2 ALA 4 HB2 ALA 4 50.423 6.310 -5.297 30 HB3 ALA 4 HB3 ALA 4 51.918 6.504 -6.243 31 H LEU 5 HN LEU 5 53.316 5.057 -2.236 32 HA LEU 5 HA LEU 5 55.439 5.548 -1.435 33 HB2 LEU 5 HB2 LEU 5 56.428 4.935 -4.242 34 HB3 LEU 5 HB1 LEU 5 57.286 4.711 -2.700 35 HG LEU 5 HG LEU 5 54.774 3.203 -3.560 36 HD11 LEU 5 HD11 LEU 5 56.236 1.300 -3.885 37 HD12 LEU 5 HD12 LEU 5 57.634 2.197 -3.246 38 HD13 LEU 5 HD13 LEU 5 56.917 2.662 -4.807 39 HD21 LEU 5 HD21 LEU 5 56.526 3.144 -1.066 40 HD22 LEU 5 HD22 LEU 5 55.521 1.752 -1.537 41 HD23 LEU 5 HD23 LEU 5 54.757 3.314 -1.171 42 H ILE 6 HN ILE 6 55.543 7.670 -0.948 43 HA ILE 6 HA ILE 6 56.121 9.935 -1.166 44 HB ILE 6 HB ILE 6 57.503 9.284 -3.821 45 HG12 ILE 6 HG12 ILE 6 58.345 7.477 -2.536 46 HG13 ILE 6 HG11 ILE 6 59.573 8.744 -2.354 47 HG21 ILE 6 HG21 ILE 6 58.694 11.230 -3.451 48 HG22 ILE 6 HG22 ILE 6 58.796 10.984 -1.697 49 HG23 ILE 6 HG23 ILE 6 57.311 11.640 -2.414 50 HD11 ILE 6 HD1 ILE 6 59.318 8.030 -0.134 51 HD12 ILE 6 HD2 ILE 6 57.582 7.706 -0.319 52 HD13 ILE 6 HD3 ILE 6 58.163 9.378 -0.177 53 H LYS 7 HN LYS 7 56.588 11.083 -4.012 54 HA LYS 7 HA LYS 7 55.157 12.471 -5.230 55 HB2 LYS 7 HB2 LYS 7 52.940 10.393 -4.987 56 HB3 LYS 7 HB1 LYS 7 53.273 11.501 -6.341 57 HG2 LYS 7 HG2 LYS 7 55.001 9.129 -5.508 58 HG3 LYS 7 HG1 LYS 7 53.924 9.189 -6.922 59 HD2 LYS 7 HD2 LYS 7 55.254 11.212 -7.718 60 HD3 LYS 7 HD1 LYS 7 56.420 10.860 -6.420 61 HE2 LYS 7 HE2 LYS 7 55.599 8.927 -8.632 62 HE3 LYS 7 HE1 LYS 7 57.130 9.833 -8.564 63 HZ1 LYS 7 HZ1 LYS 7 56.466 7.401 -7.304 64 HZ2 LYS 7 HZ2 LYS 7 56.797 8.560 -6.106 65 HZ3 LYS 7 HZ3 LYS 7 57.950 8.223 -7.307 66 H GLY 8 HN GLY 8 55.546 12.052 -2.585 67 HA2 GLY 8 HA1 GLY 8 54.890 12.287 -0.476 68 HA3 GLY 8 HA2 GLY 8 54.404 13.925 -1.059 69 H ALA 9 HN ALA 9 53.444 10.886 0.156 70 HA ALA 9 HA ALA 9 51.383 9.838 0.433 71 HB1 ALA 9 HB1 ALA 9 51.652 11.346 2.361 72 HB2 ALA 9 HB2 ALA 9 49.938 11.157 1.916 73 HB3 ALA 9 HB3 ALA 9 50.818 12.638 1.465 74 H ILE 10 HN ILE 10 51.396 10.194 -2.147 75 HA ILE 10 HA ILE 10 50.224 10.869 -4.052 76 HB ILE 10 HB ILE 10 47.625 10.244 -3.710 77 HG12 ILE 10 HG12 ILE 10 48.982 8.967 -1.283 78 HG13 ILE 10 HG11 ILE 10 47.776 10.269 -1.215 79 HG21 ILE 10 HG21 ILE 10 49.389 8.908 -4.949 80 HG22 ILE 10 HG22 ILE 10 48.164 7.915 -4.137 81 HG23 ILE 10 HG23 ILE 10 49.778 8.101 -3.412 82 HD11 ILE 10 HD1 ILE 10 46.442 8.365 -0.875 83 HD12 ILE 10 HD2 ILE 10 47.400 7.367 -1.991 84 HD13 ILE 10 HD3 ILE 10 46.287 8.601 -2.631 85 H HIS 11 HN HIS 11 47.300 11.562 -2.279 86 HA HIS 11 HA HIS 11 46.762 13.985 -3.491 87 HB2 HIS 11 HB2 HIS 11 45.423 14.534 -1.418 88 HB3 HIS 11 HB1 HIS 11 45.104 12.929 -2.116 89 HD1 HIS 11 HD1 HIS 11 45.273 10.991 -0.545 90 HD2 HIS 11 HD2 HIS 11 47.489 14.305 0.793 91 HE1 HIS 11 HE1 HIS 11 46.194 10.409 1.766 92 H GLY 12 HN GLY 12 49.341 13.373 -1.263 93 HA2 GLY 12 HA1 GLY 12 49.483 16.132 -0.262 94 HA3 GLY 12 HA2 GLY 12 50.697 14.855 -0.050 95 H GLY 13 HN GLY 13 49.656 15.132 -3.252 96 HA2 GLY 13 HA1 GLY 13 51.376 17.305 -4.098 97 HA3 GLY 13 HA2 GLY 13 52.135 15.722 -4.365 98 H ARG 14 HN ARG 14 48.977 14.989 -4.527 99 HA ARG 14 HA ARG 14 48.864 15.511 -7.497 100 HB2 ARG 14 HB2 ARG 14 47.498 13.302 -5.910 101 HB3 ARG 14 HB1 ARG 14 47.550 13.479 -7.678 102 HG2 ARG 14 HG2 ARG 14 49.916 12.951 -5.827 103 HG3 ARG 14 HG1 ARG 14 49.219 11.829 -7.017 104 HD2 ARG 14 HD2 ARG 14 49.759 13.743 -8.759 105 HD3 ARG 14 HD1 ARG 14 50.870 14.330 -7.494 106 HE ARG 14 HE ARG 14 52.259 12.453 -7.914 107 HH11 ARG 14 HH11 ARG 14 50.299 10.258 -7.689 108 HH12 ARG 14 HH12 ARG 14 50.214 9.644 -9.307 109 HH21 ARG 14 HH21 ARG 14 51.658 12.457 -10.733 110 HH22 ARG 14 HH22 ARG 14 50.984 10.888 -11.029 111 H PHE 15 HN PHE 15 46.949 15.531 -4.450 112 HA PHE 15 HA PHE 15 44.524 16.394 -5.740 113 HB2 PHE 15 HB2 PHE 15 44.670 15.656 -3.348 114 HB3 PHE 15 HB1 PHE 15 45.544 17.161 -2.967 115 HD1 PHE 15 HD1 PHE 15 42.315 15.763 -4.227 116 HD2 PHE 15 HD2 PHE 15 44.374 19.260 -2.757 117 HE1 PHE 15 HE1 PHE 15 40.140 16.962 -4.033 118 HE2 PHE 15 HE2 PHE 15 42.199 20.459 -2.562 119 HZ PHE 15 HZ PHE 15 40.078 19.293 -3.154 120 H ILE 16 HN ILE 16 45.147 17.819 -7.386 121 HA ILE 16 HA ILE 16 45.977 19.766 -8.326 122 HB ILE 16 HB ILE 16 43.821 20.612 -7.752 123 HG12 ILE 16 HG12 ILE 16 45.525 22.800 -6.514 124 HG13 ILE 16 HG11 ILE 16 45.882 22.283 -8.176 125 HG21 ILE 16 HG21 ILE 16 43.320 21.619 -5.507 126 HG22 ILE 16 HG22 ILE 16 44.874 21.006 -4.919 127 HG23 ILE 16 HG23 ILE 16 43.612 19.871 -5.450 128 HD11 ILE 16 HD1 ILE 16 44.317 24.169 -8.208 129 HD12 ILE 16 HD2 ILE 16 43.193 23.296 -7.144 130 HD13 ILE 16 HD3 ILE 16 43.496 22.705 -8.794 131 H HIS 17 HN HIS 17 48.181 19.154 -7.836 132 HA HIS 17 HA HIS 17 49.530 21.325 -6.388 133 HB2 HIS 17 HB2 HIS 17 49.457 18.507 -5.263 134 HB3 HIS 17 HB1 HIS 17 50.822 19.597 -4.935 135 HD1 HIS 17 HD1 HIS 17 48.031 18.496 -3.213 136 HD2 HIS 17 HD2 HIS 17 49.391 22.358 -4.173 137 HE1 HIS 17 HE1 HIS 17 46.912 20.124 -1.591 138 H GLY 18 HN GLY 18 49.961 17.947 -7.627 139 HA2 GLY 18 HA1 GLY 18 52.645 18.276 -8.504 140 HA3 GLY 18 HA2 GLY 18 51.452 17.176 -9.243 141 H MET 19 HN MET 19 49.589 18.602 -10.222 142 HA MET 19 HA MET 19 49.902 21.022 -11.335 143 HB2 MET 19 HB2 MET 19 51.827 19.414 -12.703 144 HB3 MET 19 HB1 MET 19 50.500 19.660 -13.847 145 HG2 MET 19 HG2 MET 19 52.180 21.437 -14.084 146 HG3 MET 19 HG1 MET 19 50.634 22.105 -13.512 147 HE1 MET 19 HE1 MET 19 51.672 24.251 -12.800 148 HE2 MET 19 HE2 MET 19 53.294 23.743 -13.329 149 HE3 MET 19 HE3 MET 19 53.065 24.447 -11.710 150 H ILE 20 HN ILE 20 47.806 20.824 -10.662 151 HA ILE 20 HA ILE 20 45.548 20.470 -11.077 152 HB ILE 20 HB ILE 20 46.185 19.599 -13.931 153 HG12 ILE 20 HG12 ILE 20 46.089 22.443 -12.811 154 HG13 ILE 20 HG11 ILE 20 47.479 21.656 -13.589 155 HG21 ILE 20 HG21 ILE 20 43.811 19.554 -12.862 156 HG22 ILE 20 HG22 ILE 20 43.986 20.393 -14.418 157 HG23 ILE 20 HG23 ILE 20 43.893 21.328 -12.907 158 HD11 ILE 20 HD1 ILE 20 44.869 22.546 -14.856 159 HD12 ILE 20 HD2 ILE 20 45.936 21.364 -15.652 160 HD13 ILE 20 HD3 ILE 20 46.528 23.005 -15.299 161 H GLN 21 HN GLN 21 47.782 18.619 -10.514 162 HA GLN 21 HA GLN 21 47.604 16.441 -9.525 163 HB2 GLN 21 HB2 GLN 21 45.057 16.383 -10.214 164 HB3 GLN 21 HB1 GLN 21 45.639 15.541 -11.671 165 HG2 GLN 21 HG2 GLN 21 46.901 13.973 -10.019 166 HG3 GLN 21 HG1 GLN 21 45.855 14.680 -8.764 167 HE21 GLN 21 HE21 GLN 21 43.474 15.024 -10.441 168 HE22 GLN 21 HE22 GLN 21 42.865 13.402 -10.786 169 H ASN 22 HN ASN 22 49.068 17.831 -11.535 170 HA ASN 22 HA ASN 22 50.584 17.472 -13.226 171 HB2 ASN 22 HB2 ASN 22 51.695 16.352 -11.441 172 HB3 ASN 22 HB1 ASN 22 50.775 14.848 -11.735 173 HD21 ASN 22 HD21 ASN 22 52.411 13.427 -12.483 174 HD22 ASN 22 HD22 ASN 22 53.430 13.781 -13.882 175 H HIS 23 HN HIS 23 48.005 17.239 -14.002 176 HA HIS 23 HA HIS 23 46.699 16.391 -15.730 177 HB2 HIS 23 HB2 HIS 23 48.666 17.084 -17.061 178 HB3 HIS 23 HB1 HIS 23 49.395 15.478 -16.817 179 HD1 HIS 23 HD1 HIS 23 45.732 16.297 -17.614 180 HD2 HIS 23 HD2 HIS 23 49.026 14.300 -19.306 181 HE1 HIS 23 HE1 HIS 23 44.918 15.160 -19.751 182 H HIS 24 HN HIS 24 48.538 13.846 -16.945 183 HA HIS 24 HA HIS 24 46.628 11.864 -16.184 184 HB2 HIS 24 HB2 HIS 24 48.284 10.245 -17.067 185 HB3 HIS 24 HB1 HIS 24 48.078 11.638 -18.156 186 HD1 HIS 24 HD1 HIS 24 49.853 13.274 -15.707 187 HD2 HIS 24 HD2 HIS 24 50.978 10.257 -18.410 188 HE1 HIS 24 HE1 HIS 24 52.400 13.336 -15.899 Start of MODEL 11 1 H1 PHE 1 HT1 PHE 1 57.032 1.710 7.443 2 H2 PHE 1 HT2 PHE 1 55.730 2.542 8.152 3 H3 PHE 1 HT3 PHE 1 56.283 2.979 6.606 4 HA PHE 1 HA PHE 1 55.665 0.258 6.609 5 HB2 PHE 1 HB2 PHE 1 54.212 0.986 8.560 6 HB3 PHE 1 HB1 PHE 1 53.356 2.061 7.430 7 HD1 PHE 1 HD1 PHE 1 54.298 -1.514 8.059 8 HD2 PHE 1 HD2 PHE 1 51.688 1.196 5.942 9 HE1 PHE 1 HE1 PHE 1 52.917 -3.441 7.295 10 HE2 PHE 1 HE2 PHE 1 50.306 -0.733 5.180 11 HZ PHE 1 HZ PHE 1 50.933 -3.053 5.837 12 H LEU 2 HN LEU 2 55.254 3.608 5.725 13 HA LEU 2 HA LEU 2 54.645 4.609 3.724 14 HB2 LEU 2 HB2 LEU 2 55.400 2.005 2.358 15 HB3 LEU 2 HB1 LEU 2 55.579 3.671 1.757 16 HG LEU 2 HG LEU 2 57.116 2.388 4.059 17 HD11 LEU 2 HD11 LEU 2 58.069 3.494 1.381 18 HD12 LEU 2 HD12 LEU 2 57.777 1.767 1.704 19 HD13 LEU 2 HD13 LEU 2 59.047 2.638 2.596 20 HD21 LEU 2 HD21 LEU 2 57.008 5.245 3.004 21 HD22 LEU 2 HD22 LEU 2 58.405 4.627 3.918 22 HD23 LEU 2 HD23 LEU 2 56.799 4.681 4.679 23 H GLY 3 HN GLY 3 53.292 4.363 1.660 24 HA2 GLY 3 HA1 GLY 3 51.345 2.301 1.433 25 HA3 GLY 3 HA2 GLY 3 50.659 3.602 2.428 26 H ALA 4 HN ALA 4 53.045 4.441 0.051 27 HA ALA 4 HA ALA 4 51.194 4.869 -2.146 28 HB1 ALA 4 HB1 ALA 4 52.007 7.264 -0.464 29 HB2 ALA 4 HB2 ALA 4 50.356 6.652 -0.725 30 HB3 ALA 4 HB3 ALA 4 51.269 7.359 -2.080 31 H LEU 5 HN LEU 5 54.237 4.884 -0.618 32 HA LEU 5 HA LEU 5 56.391 5.055 -1.442 33 HB2 LEU 5 HB2 LEU 5 55.376 3.353 -3.050 34 HB3 LEU 5 HB1 LEU 5 55.137 4.697 -4.186 35 HG LEU 5 HG LEU 5 57.696 5.177 -3.822 36 HD11 LEU 5 HD11 LEU 5 58.200 3.715 -1.965 37 HD12 LEU 5 HD12 LEU 5 58.961 2.990 -3.394 38 HD13 LEU 5 HD13 LEU 5 57.438 2.322 -2.766 39 HD21 LEU 5 HD21 LEU 5 58.281 3.555 -5.605 40 HD22 LEU 5 HD22 LEU 5 56.711 4.328 -5.930 41 HD23 LEU 5 HD23 LEU 5 56.770 2.667 -5.293 42 H ILE 6 HN ILE 6 56.271 7.328 -0.768 43 HA ILE 6 HA ILE 6 56.479 9.635 -1.145 44 HB ILE 6 HB ILE 6 57.749 9.019 -3.857 45 HG12 ILE 6 HG12 ILE 6 58.889 8.249 -1.132 46 HG13 ILE 6 HG11 ILE 6 58.500 7.146 -2.471 47 HG21 ILE 6 HG21 ILE 6 58.833 10.673 -1.541 48 HG22 ILE 6 HG22 ILE 6 57.614 11.333 -2.656 49 HG23 ILE 6 HG23 ILE 6 59.198 10.814 -3.277 50 HD11 ILE 6 HD1 ILE 6 60.857 7.488 -2.619 51 HD12 ILE 6 HD2 ILE 6 60.701 9.238 -2.338 52 HD13 ILE 6 HD3 ILE 6 60.163 8.533 -3.882 53 H LYS 7 HN LYS 7 56.735 10.644 -4.077 54 HA LYS 7 HA LYS 7 55.186 11.916 -5.272 55 HB2 LYS 7 HB2 LYS 7 54.392 9.527 -6.006 56 HB3 LYS 7 HB1 LYS 7 53.134 9.709 -4.764 57 HG2 LYS 7 HG2 LYS 7 52.000 10.533 -6.646 58 HG3 LYS 7 HG1 LYS 7 52.677 12.040 -5.990 59 HD2 LYS 7 HD2 LYS 7 54.674 11.693 -7.544 60 HD3 LYS 7 HD1 LYS 7 53.765 10.358 -8.290 61 HE2 LYS 7 HE2 LYS 7 52.960 13.293 -8.157 62 HE3 LYS 7 HE1 LYS 7 53.353 12.344 -9.610 63 HZ1 LYS 7 HZ1 LYS 7 51.057 11.866 -7.774 64 HZ2 LYS 7 HZ2 LYS 7 51.439 10.928 -9.139 65 HZ3 LYS 7 HZ3 LYS 7 50.968 12.549 -9.323 66 H GLY 8 HN GLY 8 55.752 11.660 -2.638 67 HA2 GLY 8 HA1 GLY 8 55.207 11.979 -0.505 68 HA3 GLY 8 HA2 GLY 8 54.640 13.571 -1.142 69 H ALA 9 HN ALA 9 53.775 10.334 -0.125 70 HA ALA 9 HA ALA 9 51.790 9.412 0.579 71 HB1 ALA 9 HB1 ALA 9 50.925 12.289 1.027 72 HB2 ALA 9 HB2 ALA 9 51.928 11.349 2.157 73 HB3 ALA 9 HB3 ALA 9 50.260 10.835 1.807 74 H ILE 10 HN ILE 10 52.044 9.621 -2.139 75 HA ILE 10 HA ILE 10 50.742 9.282 -3.996 76 HB ILE 10 HB ILE 10 48.834 8.916 -1.913 77 HG12 ILE 10 HG12 ILE 10 49.348 7.385 -3.824 78 HG13 ILE 10 HG11 ILE 10 47.608 7.593 -3.534 79 HG21 ILE 10 HG21 ILE 10 47.591 10.698 -4.060 80 HG22 ILE 10 HG22 ILE 10 47.836 11.135 -2.356 81 HG23 ILE 10 HG23 ILE 10 46.728 9.818 -2.783 82 HD11 ILE 10 HD1 ILE 10 47.289 8.849 -5.492 83 HD12 ILE 10 HD2 ILE 10 48.580 7.741 -6.012 84 HD13 ILE 10 HD3 ILE 10 48.978 9.409 -5.539 85 H HIS 11 HN HIS 11 49.730 12.110 -2.051 86 HA HIS 11 HA HIS 11 50.523 13.917 -4.183 87 HB2 HIS 11 HB2 HIS 11 48.357 13.136 -5.111 88 HB3 HIS 11 HB1 HIS 11 47.545 13.633 -3.607 89 HD1 HIS 11 HD1 HIS 11 46.692 15.979 -3.534 90 HD2 HIS 11 HD2 HIS 11 49.649 15.454 -6.476 91 HE1 HIS 11 HE1 HIS 11 46.921 18.194 -4.787 92 H GLY 12 HN GLY 12 49.745 13.063 -1.056 93 HA2 GLY 12 HA1 GLY 12 50.753 14.782 0.560 94 HA3 GLY 12 HA2 GLY 12 49.575 15.920 -0.125 95 H GLY 13 HN GLY 13 48.887 12.497 0.341 96 HA2 GLY 13 HA1 GLY 13 47.284 11.463 1.649 97 HA3 GLY 13 HA2 GLY 13 47.791 12.574 2.940 98 H ARG 14 HN ARG 14 45.708 12.290 0.050 99 HA ARG 14 HA ARG 14 43.522 13.602 1.478 100 HB2 ARG 14 HB2 ARG 14 45.203 15.447 0.563 101 HB3 ARG 14 HB1 ARG 14 44.422 15.109 -0.995 102 HG2 ARG 14 HG2 ARG 14 42.969 15.901 1.577 103 HG3 ARG 14 HG1 ARG 14 43.325 16.991 0.218 104 HD2 ARG 14 HD2 ARG 14 42.057 15.207 -1.239 105 HD3 ARG 14 HD1 ARG 14 41.397 14.657 0.322 106 HE ARG 14 HE ARG 14 41.037 17.444 0.275 107 HH11 ARG 14 HH11 ARG 14 38.930 18.178 -0.149 108 HH12 ARG 14 HH12 ARG 14 37.959 17.333 -1.307 109 HH21 ARG 14 HH21 ARG 14 40.305 14.838 -1.847 110 HH22 ARG 14 HH22 ARG 14 38.737 15.441 -2.269 111 H PHE 15 HN PHE 15 44.806 12.952 -1.827 112 HA PHE 15 HA PHE 15 42.373 12.556 -3.146 113 HB2 PHE 15 HB2 PHE 15 44.842 12.425 -4.007 114 HB3 PHE 15 HB1 PHE 15 44.719 10.692 -3.635 115 HD1 PHE 15 HD1 PHE 15 43.835 9.246 -5.292 116 HD2 PHE 15 HD2 PHE 15 42.819 13.442 -5.383 117 HE1 PHE 15 HE1 PHE 15 42.615 8.906 -7.437 118 HE2 PHE 15 HE2 PHE 15 41.597 13.099 -7.526 119 HZ PHE 15 HZ PHE 15 41.559 10.846 -8.589 120 H ILE 16 HN ILE 16 44.037 10.432 -0.874 121 HA ILE 16 HA ILE 16 41.580 8.822 -0.603 122 HB ILE 16 HB ILE 16 42.889 6.650 -0.822 123 HG12 ILE 16 HG12 ILE 16 44.847 8.460 -2.319 124 HG13 ILE 16 HG11 ILE 16 45.166 7.749 -0.725 125 HG21 ILE 16 HG21 ILE 16 42.556 6.507 -3.210 126 HG22 ILE 16 HG22 ILE 16 42.751 8.265 -3.404 127 HG23 ILE 16 HG23 ILE 16 41.315 7.611 -2.585 128 HD11 ILE 16 HD1 ILE 16 44.897 6.355 -3.405 129 HD12 ILE 16 HD2 ILE 16 44.626 5.459 -1.891 130 HD13 ILE 16 HD3 ILE 16 46.200 6.224 -2.203 131 H HIS 17 HN HIS 17 42.174 10.406 1.250 132 HA HIS 17 HA HIS 17 42.966 8.737 3.489 133 HB2 HIS 17 HB2 HIS 17 45.229 9.288 2.639 134 HB3 HIS 17 HB1 HIS 17 44.830 11.021 2.711 135 HD1 HIS 17 HD1 HIS 17 44.936 12.196 4.966 136 HD2 HIS 17 HD2 HIS 17 45.521 8.042 5.224 137 HE1 HIS 17 HE1 HIS 17 45.648 11.674 7.364 138 H GLY 18 HN GLY 18 41.828 11.516 1.923 139 HA2 GLY 18 HA1 GLY 18 40.481 12.438 4.416 140 HA3 GLY 18 HA2 GLY 18 41.425 13.615 3.474 141 H MET 19 HN MET 19 39.331 10.883 2.572 142 HA MET 19 HA MET 19 37.120 12.450 1.568 143 HB2 MET 19 HB2 MET 19 38.834 13.065 -0.015 144 HB3 MET 19 HB1 MET 19 39.108 11.360 -0.343 145 HG2 MET 19 HG2 MET 19 36.869 11.104 -1.269 146 HG3 MET 19 HG1 MET 19 36.432 12.748 -0.752 147 HE1 MET 19 HE1 MET 19 38.872 11.390 -4.370 148 HE2 MET 19 HE2 MET 19 37.519 10.562 -3.562 149 HE3 MET 19 HE3 MET 19 39.090 10.711 -2.740 150 H ILE 20 HN ILE 20 39.067 9.605 0.472 151 HA ILE 20 HA ILE 20 36.644 7.917 0.472 152 HB ILE 20 HB ILE 20 39.585 7.065 0.633 153 HG12 ILE 20 HG12 ILE 20 39.416 8.342 -1.380 154 HG13 ILE 20 HG11 ILE 20 39.259 6.655 -1.900 155 HG21 ILE 20 HG21 ILE 20 38.536 4.962 -0.502 156 HG22 ILE 20 HG22 ILE 20 36.978 5.606 0.066 157 HG23 ILE 20 HG23 ILE 20 38.253 5.205 1.235 158 HD11 ILE 20 HD1 ILE 20 36.692 7.044 -1.728 159 HD12 ILE 20 HD2 ILE 20 37.550 7.817 -3.077 160 HD13 ILE 20 HD3 ILE 20 37.095 8.775 -1.649 161 H GLN 21 HN GLN 21 38.464 9.597 2.548 162 HA GLN 21 HA GLN 21 37.713 7.964 4.926 163 HB2 GLN 21 HB2 GLN 21 40.233 8.210 4.494 164 HB3 GLN 21 HB1 GLN 21 40.008 9.959 4.739 165 HG2 GLN 21 HG2 GLN 21 38.991 9.473 6.980 166 HG3 GLN 21 HG1 GLN 21 39.360 7.748 6.737 167 HE21 GLN 21 HE21 GLN 21 41.555 7.033 6.964 168 HE22 GLN 21 HE22 GLN 21 42.838 8.118 7.506 169 H ASN 22 HN ASN 22 37.724 11.086 3.045 170 HA ASN 22 HA ASN 22 36.085 12.227 5.386 171 HB2 ASN 22 HB2 ASN 22 38.356 13.353 4.728 172 HB3 ASN 22 HB1 ASN 22 37.456 13.976 3.332 173 HD21 ASN 22 HD21 ASN 22 35.836 15.602 3.676 174 HD22 ASN 22 HD22 ASN 22 35.598 16.355 5.256 175 H HIS 23 HN HIS 23 35.129 10.557 3.104 176 HA HIS 23 HA HIS 23 32.866 12.267 2.416 177 HB2 HIS 23 HB2 HIS 23 34.624 13.050 0.790 178 HB3 HIS 23 HB1 HIS 23 34.687 11.395 0.138 179 HD1 HIS 23 HD1 HIS 23 33.052 10.845 -1.673 180 HD2 HIS 23 HD2 HIS 23 31.894 14.223 0.547 181 HE1 HIS 23 HE1 HIS 23 30.933 11.777 -2.754 182 H HIS 24 HN HIS 24 31.181 11.120 1.329 183 HA HIS 24 HA HIS 24 31.067 8.338 2.093 184 HB2 HIS 24 HB2 HIS 24 29.298 10.001 0.258 185 HB3 HIS 24 HB1 HIS 24 28.912 8.357 0.818 186 HD1 HIS 24 HD1 HIS 24 27.150 8.602 2.576 187 HD2 HIS 24 HD2 HIS 24 30.191 11.481 2.969 188 HE1 HIS 24 HE1 HIS 24 26.688 9.909 4.721 Start of MODEL 12 1 H1 PHE 1 HT1 PHE 1 62.471 1.652 2.624 2 H2 PHE 1 HT2 PHE 1 61.251 0.548 3.051 3 H3 PHE 1 HT3 PHE 1 62.470 0.948 4.166 4 HA PHE 1 HA PHE 1 60.340 2.016 4.628 5 HB2 PHE 1 HB2 PHE 1 62.522 3.979 3.834 6 HB3 PHE 1 HB1 PHE 1 61.308 4.163 5.123 7 HD1 PHE 1 HD1 PHE 1 64.448 2.490 4.112 8 HD2 PHE 1 HD2 PHE 1 61.477 2.883 7.219 9 HE1 PHE 1 HE1 PHE 1 65.976 1.351 5.717 10 HE2 PHE 1 HE2 PHE 1 63.005 1.743 8.823 11 HZ PHE 1 HZ PHE 1 65.231 0.927 8.057 12 H LEU 2 HN LEU 2 59.142 4.092 4.098 13 HA LEU 2 HA LEU 2 57.734 5.173 2.603 14 HB2 LEU 2 HB2 LEU 2 59.989 4.984 0.576 15 HB3 LEU 2 HB1 LEU 2 58.755 6.254 0.744 16 HG LEU 2 HG LEU 2 60.989 5.642 2.731 17 HD11 LEU 2 HD11 LEU 2 60.490 8.000 0.858 18 HD12 LEU 2 HD12 LEU 2 61.760 6.766 0.673 19 HD13 LEU 2 HD13 LEU 2 61.806 7.892 2.052 20 HD21 LEU 2 HD21 LEU 2 59.132 6.423 4.021 21 HD22 LEU 2 HD22 LEU 2 58.647 7.591 2.769 22 HD23 LEU 2 HD23 LEU 2 60.118 7.874 3.730 23 H GLY 3 HN GLY 3 56.688 2.919 2.704 24 HA2 GLY 3 HA1 GLY 3 56.952 1.189 0.416 25 HA3 GLY 3 HA2 GLY 3 55.630 1.181 1.599 26 H ALA 4 HN ALA 4 55.127 4.102 1.062 27 HA ALA 4 HA ALA 4 53.182 3.673 -1.073 28 HB1 ALA 4 HB1 ALA 4 54.033 6.187 0.407 29 HB2 ALA 4 HB2 ALA 4 52.674 5.116 0.831 30 HB3 ALA 4 HB3 ALA 4 52.630 6.055 -0.680 31 H LEU 5 HN LEU 5 52.975 5.397 -2.836 32 HA LEU 5 HA LEU 5 55.442 5.291 -4.419 33 HB2 LEU 5 HB2 LEU 5 52.638 6.371 -4.869 34 HB3 LEU 5 HB1 LEU 5 53.941 6.669 -6.042 35 HG LEU 5 HG LEU 5 54.282 4.278 -6.359 36 HD11 LEU 5 HD11 LEU 5 53.930 3.337 -4.195 37 HD12 LEU 5 HD12 LEU 5 52.603 2.690 -5.186 38 HD13 LEU 5 HD13 LEU 5 52.298 4.038 -4.064 39 HD21 LEU 5 HD21 LEU 5 52.391 5.482 -7.563 40 HD22 LEU 5 HD22 LEU 5 51.281 4.808 -6.346 41 HD23 LEU 5 HD23 LEU 5 52.183 3.720 -7.428 42 H ILE 6 HN ILE 6 55.232 6.932 -1.848 43 HA ILE 6 HA ILE 6 55.827 9.070 -1.071 44 HB ILE 6 HB ILE 6 57.512 9.444 -3.597 45 HG12 ILE 6 HG12 ILE 6 57.980 7.338 -1.435 46 HG13 ILE 6 HG11 ILE 6 57.699 7.038 -3.165 47 HG21 ILE 6 HG21 ILE 6 59.055 10.446 -2.090 48 HG22 ILE 6 HG22 ILE 6 58.337 9.643 -0.672 49 HG23 ILE 6 HG23 ILE 6 57.468 10.969 -1.479 50 HD11 ILE 6 HD1 ILE 6 60.066 6.895 -2.892 51 HD12 ILE 6 HD2 ILE 6 60.111 8.336 -1.850 52 HD13 ILE 6 HD3 ILE 6 59.782 8.507 -3.591 53 H LYS 7 HN LYS 7 56.798 11.182 -3.145 54 HA LYS 7 HA LYS 7 55.700 13.148 -3.774 55 HB2 LYS 7 HB2 LYS 7 53.308 11.444 -4.611 56 HB3 LYS 7 HB1 LYS 7 53.819 13.011 -5.281 57 HG2 LYS 7 HG2 LYS 7 55.373 10.396 -5.522 58 HG3 LYS 7 HG1 LYS 7 54.385 11.131 -6.808 59 HD2 LYS 7 HD2 LYS 7 55.853 13.231 -6.527 60 HD3 LYS 7 HD1 LYS 7 56.939 12.213 -5.551 61 HE2 LYS 7 HE2 LYS 7 56.084 11.640 -8.422 62 HE3 LYS 7 HE1 LYS 7 57.667 12.282 -7.920 63 HZ1 LYS 7 HZ1 LYS 7 57.944 10.262 -6.551 64 HZ2 LYS 7 HZ2 LYS 7 57.825 9.922 -8.211 65 HZ3 LYS 7 HZ3 LYS 7 56.498 9.644 -7.186 66 H GLY 8 HN GLY 8 55.682 11.646 -1.523 67 HA2 GLY 8 HA1 GLY 8 54.777 11.110 0.431 68 HA3 GLY 8 HA2 GLY 8 54.544 12.897 0.546 69 H ALA 9 HN ALA 9 53.120 9.797 0.210 70 HA ALA 9 HA ALA 9 50.963 9.028 0.096 71 HB1 ALA 9 HB1 ALA 9 50.855 9.897 2.333 72 HB2 ALA 9 HB2 ALA 9 49.333 10.333 1.518 73 HB3 ALA 9 HB3 ALA 9 50.608 11.556 1.738 74 H ILE 10 HN ILE 10 51.722 10.232 -2.226 75 HA ILE 10 HA ILE 10 51.007 11.525 -4.035 76 HB ILE 10 HB ILE 10 48.424 10.878 -4.535 77 HG12 ILE 10 HG12 ILE 10 49.314 8.820 -2.452 78 HG13 ILE 10 HG11 ILE 10 48.036 10.030 -2.217 79 HG21 ILE 10 HG21 ILE 10 49.198 8.834 -5.600 80 HG22 ILE 10 HG22 ILE 10 50.608 8.745 -4.519 81 HG23 ILE 10 HG23 ILE 10 50.494 10.041 -5.734 82 HD11 ILE 10 HD1 ILE 10 47.001 8.975 -4.413 83 HD12 ILE 10 HD2 ILE 10 46.793 8.141 -2.855 84 HD13 ILE 10 HD3 ILE 10 48.034 7.583 -4.000 85 H HIS 11 HN HIS 11 47.727 11.629 -2.798 86 HA HIS 11 HA HIS 11 47.349 14.339 -3.288 87 HB2 HIS 11 HB2 HIS 11 46.066 12.928 -0.931 88 HB3 HIS 11 HB1 HIS 11 45.384 14.205 -1.971 89 HD1 HIS 11 HD1 HIS 11 46.240 13.008 -4.746 90 HD2 HIS 11 HD2 HIS 11 44.438 10.786 -1.666 91 HE1 HIS 11 HE1 HIS 11 45.083 11.003 -5.829 92 H GLY 12 HN GLY 12 49.399 12.953 -0.905 93 HA2 GLY 12 HA1 GLY 12 49.176 15.244 0.961 94 HA3 GLY 12 HA2 GLY 12 50.301 13.875 1.073 95 H GLY 13 HN GLY 13 50.069 15.252 -2.021 96 HA2 GLY 13 HA1 GLY 13 52.020 17.373 -1.685 97 HA3 GLY 13 HA2 GLY 13 52.745 15.889 -2.331 98 H ARG 14 HN ARG 14 49.718 15.571 -3.386 99 HA ARG 14 HA ARG 14 50.319 17.009 -5.966 100 HB2 ARG 14 HB2 ARG 14 50.031 14.377 -5.695 101 HB3 ARG 14 HB1 ARG 14 48.298 14.762 -5.709 102 HG2 ARG 14 HG2 ARG 14 50.315 15.580 -7.856 103 HG3 ARG 14 HG1 ARG 14 49.150 14.245 -7.989 104 HD2 ARG 14 HD2 ARG 14 47.347 16.088 -7.450 105 HD3 ARG 14 HD1 ARG 14 48.624 17.226 -7.946 106 HE ARG 14 HE ARG 14 47.039 15.701 -9.744 107 HH11 ARG 14 HH11 ARG 14 47.984 14.720 -11.633 108 HH12 ARG 14 HH12 ARG 14 49.529 15.308 -12.150 109 HH21 ARG 14 HH21 ARG 14 50.053 17.213 -9.300 110 HH22 ARG 14 HH22 ARG 14 50.701 16.719 -10.829 111 H PHE 15 HN PHE 15 47.516 16.009 -3.900 112 HA PHE 15 HA PHE 15 45.679 17.767 -5.253 113 HB2 PHE 15 HB2 PHE 15 45.156 15.751 -3.748 114 HB3 PHE 15 HB1 PHE 15 45.446 16.834 -2.367 115 HD1 PHE 15 HD1 PHE 15 43.562 16.775 -5.642 116 HD2 PHE 15 HD2 PHE 15 43.585 18.018 -1.506 117 HE1 PHE 15 HE1 PHE 15 41.248 17.664 -5.895 118 HE2 PHE 15 HE2 PHE 15 41.273 18.908 -1.762 119 HZ PHE 15 HZ PHE 15 40.078 18.661 -3.934 120 H ILE 16 HN ILE 16 46.118 19.886 -5.415 121 HA ILE 16 HA ILE 16 46.952 21.991 -4.779 122 HB ILE 16 HB ILE 16 45.556 23.016 -2.931 123 HG12 ILE 16 HG12 ILE 16 44.201 20.276 -2.939 124 HG13 ILE 16 HG11 ILE 16 45.286 20.835 -1.650 125 HG21 ILE 16 HG21 ILE 16 43.947 21.438 -4.988 126 HG22 ILE 16 HG22 ILE 16 44.885 22.900 -5.377 127 HG23 ILE 16 HG23 ILE 16 43.517 22.998 -4.247 128 HD11 ILE 16 HD1 ILE 16 43.132 21.365 -0.824 129 HD12 ILE 16 HD2 ILE 16 42.547 21.893 -2.417 130 HD13 ILE 16 HD3 ILE 16 43.692 22.908 -1.506 131 H HIS 17 HN HIS 17 48.928 20.516 -4.124 132 HA HIS 17 HA HIS 17 49.838 21.623 -1.517 133 HB2 HIS 17 HB2 HIS 17 48.881 19.316 -1.085 134 HB3 HIS 17 HB1 HIS 17 50.117 18.667 -2.185 135 HD1 HIS 17 HD1 HIS 17 49.559 19.191 1.297 136 HD2 HIS 17 HD2 HIS 17 52.879 19.604 -1.238 137 HE1 HIS 17 HE1 HIS 17 51.640 19.301 2.775 138 H GLY 18 HN GLY 18 50.406 20.025 -4.627 139 HA2 GLY 18 HA1 GLY 18 53.179 19.843 -4.742 140 HA3 GLY 18 HA2 GLY 18 52.173 20.379 -6.112 141 H MET 19 HN MET 19 51.120 22.627 -4.752 142 HA MET 19 HA MET 19 52.523 24.574 -3.686 143 HB2 MET 19 HB2 MET 19 53.838 24.052 -6.309 144 HB3 MET 19 HB1 MET 19 53.633 25.744 -5.839 145 HG2 MET 19 HG2 MET 19 55.196 25.624 -4.137 146 HG3 MET 19 HG1 MET 19 54.785 23.952 -3.707 147 HE1 MET 19 HE1 MET 19 57.394 24.149 -3.308 148 HE2 MET 19 HE2 MET 19 58.357 23.155 -4.427 149 HE3 MET 19 HE3 MET 19 56.865 22.498 -3.712 150 H ILE 20 HN ILE 20 50.059 23.473 -5.061 151 HA ILE 20 HA ILE 20 48.128 24.432 -5.905 152 HB ILE 20 HB ILE 20 49.273 27.217 -5.375 153 HG12 ILE 20 HG12 ILE 20 49.659 26.090 -3.288 154 HG13 ILE 20 HG11 ILE 20 48.166 27.023 -3.077 155 HG21 ILE 20 HG21 ILE 20 46.769 27.602 -4.841 156 HG22 ILE 20 HG22 ILE 20 46.485 26.026 -5.613 157 HG23 ILE 20 HG23 ILE 20 47.220 27.349 -6.539 158 HD11 ILE 20 HD1 ILE 20 46.876 24.895 -3.640 159 HD12 ILE 20 HD2 ILE 20 47.796 24.832 -2.126 160 HD13 ILE 20 HD3 ILE 20 48.424 24.022 -3.578 161 H GLN 21 HN GLN 21 51.314 24.855 -6.767 162 HA GLN 21 HA GLN 21 50.612 25.984 -9.514 163 HB2 GLN 21 HB2 GLN 21 52.326 27.192 -8.055 164 HB3 GLN 21 HB1 GLN 21 53.363 25.757 -8.234 165 HG2 GLN 21 HG2 GLN 21 54.034 27.284 -9.963 166 HG3 GLN 21 HG1 GLN 21 53.077 26.019 -10.766 167 HE21 GLN 21 HE21 GLN 21 53.032 28.103 -12.345 168 HE22 GLN 21 HE22 GLN 21 51.608 29.125 -12.127 169 H ASN 22 HN ASN 22 52.248 23.358 -7.699 170 HA ASN 22 HA ASN 22 52.744 21.927 -10.296 171 HB2 ASN 22 HB2 ASN 22 53.759 21.529 -7.455 172 HB3 ASN 22 HB1 ASN 22 54.029 20.349 -8.759 173 HD21 ASN 22 HD21 ASN 22 55.603 20.830 -10.380 174 HD22 ASN 22 HD22 ASN 22 56.590 22.293 -10.328 175 H HIS 23 HN HIS 23 50.609 22.204 -7.654 176 HA HIS 23 HA HIS 23 49.756 19.573 -7.178 177 HB2 HIS 23 HB2 HIS 23 47.632 20.539 -6.503 178 HB3 HIS 23 HB1 HIS 23 48.941 21.640 -6.016 179 HD1 HIS 23 HD1 HIS 23 45.785 22.262 -6.841 180 HD2 HIS 23 HD2 HIS 23 49.301 23.210 -8.937 181 HE1 HIS 23 HE1 HIS 23 45.220 24.159 -8.455 182 H HIS 24 HN HIS 24 47.160 19.210 -7.844 183 HA HIS 24 HA HIS 24 47.314 18.065 -10.450 184 HB2 HIS 24 HB2 HIS 24 45.722 17.350 -8.676 185 HB3 HIS 24 HB1 HIS 24 44.829 18.876 -8.888 186 HD1 HIS 24 HD1 HIS 24 46.141 16.088 -11.212 187 HD2 HIS 24 HD2 HIS 24 42.717 18.451 -10.597 188 HE1 HIS 24 HE1 HIS 24 44.436 15.441 -13.002 Start of MODEL 13 1 H1 PHE 1 HT1 PHE 1 54.424 1.216 -8.314 2 H2 PHE 1 HT2 PHE 1 55.076 0.235 -7.090 3 H3 PHE 1 HT3 PHE 1 54.874 -0.381 -8.660 4 HA PHE 1 HA PHE 1 57.166 0.156 -8.148 5 HB2 PHE 1 HB2 PHE 1 56.067 0.280 -10.479 6 HB3 PHE 1 HB1 PHE 1 56.037 2.042 -10.251 7 HD1 PHE 1 HD1 PHE 1 58.466 -0.838 -9.808 8 HD2 PHE 1 HD2 PHE 1 57.879 3.237 -11.132 9 HE1 PHE 1 HE1 PHE 1 60.845 -0.721 -10.522 10 HE2 PHE 1 HE2 PHE 1 60.260 3.345 -11.840 11 HZ PHE 1 HZ PHE 1 61.730 1.352 -11.581 12 H LEU 2 HN LEU 2 57.293 3.116 -9.462 13 HA LEU 2 HA LEU 2 57.985 5.162 -8.614 14 HB2 LEU 2 HB2 LEU 2 55.981 4.729 -6.374 15 HB3 LEU 2 HB1 LEU 2 56.473 6.256 -7.145 16 HG LEU 2 HG LEU 2 54.889 3.999 -8.452 17 HD11 LEU 2 HD11 LEU 2 53.699 5.492 -6.779 18 HD12 LEU 2 HD12 LEU 2 53.041 5.563 -8.431 19 HD13 LEU 2 HD13 LEU 2 54.087 6.873 -7.833 20 HD21 LEU 2 HD21 LEU 2 56.051 6.604 -9.525 21 HD22 LEU 2 HD22 LEU 2 54.674 5.792 -10.309 22 HD23 LEU 2 HD23 LEU 2 56.240 4.960 -10.179 23 H GLY 3 HN GLY 3 58.805 2.385 -7.243 24 HA2 GLY 3 HA1 GLY 3 60.583 1.914 -5.814 25 HA3 GLY 3 HA2 GLY 3 60.765 3.647 -5.485 26 H ALA 4 HN ALA 4 58.439 4.428 -4.400 27 HA ALA 4 HA ALA 4 57.434 2.559 -2.415 28 HB1 ALA 4 HB1 ALA 4 59.413 4.688 -1.538 29 HB2 ALA 4 HB2 ALA 4 59.585 2.925 -1.367 30 HB3 ALA 4 HB3 ALA 4 58.341 3.794 -0.437 31 H LEU 5 HN LEU 5 55.891 3.786 -4.082 32 HA LEU 5 HA LEU 5 54.135 5.277 -4.319 33 HB2 LEU 5 HB2 LEU 5 54.460 5.185 -1.302 34 HB3 LEU 5 HB1 LEU 5 53.203 6.184 -2.063 35 HG LEU 5 HG LEU 5 52.238 4.228 -3.159 36 HD11 LEU 5 HD11 LEU 5 53.214 1.924 -2.477 37 HD12 LEU 5 HD12 LEU 5 54.677 2.821 -2.005 38 HD13 LEU 5 HD13 LEU 5 54.113 2.859 -3.693 39 HD21 LEU 5 HD21 LEU 5 52.847 3.510 -0.260 40 HD22 LEU 5 HD22 LEU 5 51.398 3.081 -1.200 41 HD23 LEU 5 HD23 LEU 5 51.689 4.774 -0.735 42 H ILE 6 HN ILE 6 55.565 6.922 -1.490 43 HA ILE 6 HA ILE 6 56.199 9.167 -1.231 44 HB ILE 6 HB ILE 6 57.408 9.117 -4.042 45 HG12 ILE 6 HG12 ILE 6 58.359 7.480 -1.645 46 HG13 ILE 6 HG11 ILE 6 57.870 6.863 -3.240 47 HG21 ILE 6 HG21 ILE 6 57.597 11.028 -2.272 48 HG22 ILE 6 HG22 ILE 6 59.095 10.466 -3.045 49 HG23 ILE 6 HG23 ILE 6 58.686 9.927 -1.399 50 HD11 ILE 6 HD1 ILE 6 60.330 8.503 -2.539 51 HD12 ILE 6 HD2 ILE 6 59.756 8.326 -4.216 52 HD13 ILE 6 HD3 ILE 6 60.257 6.891 -3.289 53 H LYS 7 HN LYS 7 56.660 10.864 -3.822 54 HA LYS 7 HA LYS 7 55.351 12.643 -4.585 55 HB2 LYS 7 HB2 LYS 7 53.183 10.482 -4.734 56 HB3 LYS 7 HB1 LYS 7 53.013 12.125 -5.397 57 HG2 LYS 7 HG2 LYS 7 55.033 11.704 -6.830 58 HG3 LYS 7 HG1 LYS 7 55.057 10.026 -6.239 59 HD2 LYS 7 HD2 LYS 7 52.779 9.665 -7.126 60 HD3 LYS 7 HD1 LYS 7 52.728 11.351 -7.697 61 HE2 LYS 7 HE2 LYS 7 54.713 10.900 -9.139 62 HE3 LYS 7 HE1 LYS 7 54.696 9.203 -8.605 63 HZ1 LYS 7 HZ1 LYS 7 52.144 9.594 -9.379 64 HZ2 LYS 7 HZ2 LYS 7 53.356 8.915 -10.356 65 HZ3 LYS 7 HZ3 LYS 7 52.976 10.567 -10.490 66 H GLY 8 HN GLY 8 55.817 11.612 -2.126 67 HA2 GLY 8 HA1 GLY 8 55.283 11.428 0.025 68 HA3 GLY 8 HA2 GLY 8 54.994 13.202 -0.151 69 H ALA 9 HN ALA 9 53.568 9.987 -0.144 70 HA ALA 9 HA ALA 9 51.459 9.240 0.368 71 HB1 ALA 9 HB1 ALA 9 50.209 10.402 2.036 72 HB2 ALA 9 HB2 ALA 9 50.959 11.960 1.611 73 HB3 ALA 9 HB3 ALA 9 51.926 10.690 2.400 74 H ILE 10 HN ILE 10 51.410 9.607 -2.103 75 HA ILE 10 HA ILE 10 50.377 10.523 -4.001 76 HB ILE 10 HB ILE 10 47.808 10.197 -3.818 77 HG12 ILE 10 HG12 ILE 10 48.636 9.045 -1.109 78 HG13 ILE 10 HG11 ILE 10 47.761 10.578 -1.314 79 HG21 ILE 10 HG21 ILE 10 48.028 7.780 -3.865 80 HG22 ILE 10 HG22 ILE 10 49.553 7.849 -2.951 81 HG23 ILE 10 HG23 ILE 10 49.483 8.467 -4.618 82 HD11 ILE 10 HD1 ILE 10 46.805 7.755 -1.867 83 HD12 ILE 10 HD2 ILE 10 46.042 9.137 -2.690 84 HD13 ILE 10 HD3 ILE 10 46.022 9.034 -0.915 85 H HIS 11 HN HIS 11 51.192 12.702 -3.728 86 HA HIS 11 HA HIS 11 50.918 15.008 -3.507 87 HB2 HIS 11 HB2 HIS 11 49.575 14.398 -5.545 88 HB3 HIS 11 HB1 HIS 11 48.123 14.359 -4.516 89 HD1 HIS 11 HD1 HIS 11 46.887 16.438 -5.238 90 HD2 HIS 11 HD2 HIS 11 50.962 17.169 -4.498 91 HE1 HIS 11 HE1 HIS 11 47.237 18.967 -5.327 92 H GLY 12 HN GLY 12 49.979 13.247 -1.190 93 HA2 GLY 12 HA1 GLY 12 49.270 13.816 0.955 94 HA3 GLY 12 HA2 GLY 12 48.892 15.453 0.387 95 H GLY 13 HN GLY 13 47.684 12.354 -0.891 96 HA2 GLY 13 HA1 GLY 13 45.540 11.479 -0.936 97 HA3 GLY 13 HA2 GLY 13 45.162 12.469 0.488 98 H ARG 14 HN ARG 14 45.942 13.026 -2.969 99 HA ARG 14 HA ARG 14 43.336 14.429 -3.308 100 HB2 ARG 14 HB2 ARG 14 46.061 15.725 -3.733 101 HB3 ARG 14 HB1 ARG 14 44.571 16.340 -4.475 102 HG2 ARG 14 HG2 ARG 14 45.009 15.989 -1.471 103 HG3 ARG 14 HG1 ARG 14 45.161 17.523 -2.348 104 HD2 ARG 14 HD2 ARG 14 42.680 16.903 -3.178 105 HD3 ARG 14 HD1 ARG 14 42.672 15.959 -1.668 106 HE ARG 14 HE ARG 14 43.641 18.675 -1.264 107 HH11 ARG 14 HH11 ARG 14 42.185 17.725 0.931 108 HH12 ARG 14 HH12 ARG 14 40.561 18.288 0.706 109 HH21 ARG 14 HH21 ARG 14 40.975 18.948 -2.672 110 HH22 ARG 14 HH22 ARG 14 39.878 18.980 -1.332 111 H PHE 15 HN PHE 15 46.434 13.371 -4.696 112 HA PHE 15 HA PHE 15 45.896 13.455 -7.426 113 HB2 PHE 15 HB2 PHE 15 48.004 12.604 -6.298 114 HB3 PHE 15 HB1 PHE 15 47.161 11.059 -6.039 115 HD1 PHE 15 HD1 PHE 15 46.768 9.519 -7.864 116 HD2 PHE 15 HD2 PHE 15 48.428 13.430 -8.623 117 HE1 PHE 15 HE1 PHE 15 47.327 8.830 -10.193 118 HE2 PHE 15 HE2 PHE 15 48.986 12.742 -10.950 119 HZ PHE 15 HZ PHE 15 48.517 10.414 -11.705 120 H ILE 16 HN ILE 16 44.784 11.114 -5.031 121 HA ILE 16 HA ILE 16 42.438 10.495 -6.594 122 HB ILE 16 HB ILE 16 43.929 9.058 -7.868 123 HG12 ILE 16 HG12 ILE 16 42.889 6.861 -7.497 124 HG13 ILE 16 HG11 ILE 16 42.360 7.349 -5.876 125 HG21 ILE 16 HG21 ILE 16 45.486 7.538 -6.968 126 HG22 ILE 16 HG22 ILE 16 44.692 7.491 -5.379 127 HG23 ILE 16 HG23 ILE 16 45.629 8.923 -5.864 128 HD11 ILE 16 HD1 ILE 16 41.549 8.982 -8.304 129 HD12 ILE 16 HD2 ILE 16 40.750 8.863 -6.717 130 HD13 ILE 16 HD3 ILE 16 40.652 7.509 -7.864 131 H HIS 17 HN HIS 17 41.772 11.422 -4.620 132 HA HIS 17 HA HIS 17 41.000 9.420 -2.672 133 HB2 HIS 17 HB2 HIS 17 43.428 9.923 -2.022 134 HB3 HIS 17 HB1 HIS 17 42.883 11.572 -1.639 135 HD1 HIS 17 HD1 HIS 17 41.862 11.955 0.623 136 HD2 HIS 17 HD2 HIS 17 41.901 7.887 -0.444 137 HE1 HIS 17 HE1 HIS 17 41.083 10.627 2.661 138 H GLY 18 HN GLY 18 41.723 12.937 -3.069 139 HA2 GLY 18 HA1 GLY 18 39.354 13.765 -1.612 140 HA3 GLY 18 HA2 GLY 18 40.302 14.763 -2.749 141 H MET 19 HN MET 19 40.185 13.966 -5.036 142 HA MET 19 HA MET 19 38.304 12.492 -6.201 143 HB2 MET 19 HB2 MET 19 36.870 14.756 -5.035 144 HB3 MET 19 HB1 MET 19 36.663 14.723 -6.798 145 HG2 MET 19 HG2 MET 19 35.782 12.474 -6.727 146 HG3 MET 19 HG1 MET 19 36.202 12.300 -5.007 147 HE1 MET 19 HE1 MET 19 33.599 11.453 -5.782 148 HE2 MET 19 HE2 MET 19 32.360 12.339 -4.861 149 HE3 MET 19 HE3 MET 19 33.816 11.730 -4.037 150 H ILE 20 HN ILE 20 40.176 12.326 -7.367 151 HA ILE 20 HA ILE 20 41.496 12.865 -9.206 152 HB ILE 20 HB ILE 20 39.428 14.939 -10.070 153 HG12 ILE 20 HG12 ILE 20 39.278 11.903 -10.386 154 HG13 ILE 20 HG11 ILE 20 38.146 12.924 -9.472 155 HG21 ILE 20 HG21 ILE 20 40.221 14.481 -12.271 156 HG22 ILE 20 HG22 ILE 20 40.989 12.954 -11.775 157 HG23 ILE 20 HG23 ILE 20 41.694 14.506 -11.280 158 HD11 ILE 20 HD1 ILE 20 38.566 12.803 -12.477 159 HD12 ILE 20 HD2 ILE 20 37.757 14.187 -11.700 160 HD13 ILE 20 HD3 ILE 20 37.065 12.553 -11.557 161 H GLN 21 HN GLN 21 41.077 14.249 -6.616 162 HA GLN 21 HA GLN 21 42.501 15.782 -5.470 163 HB2 GLN 21 HB2 GLN 21 42.927 17.304 -8.088 164 HB3 GLN 21 HB1 GLN 21 43.721 17.594 -6.538 165 HG2 GLN 21 HG2 GLN 21 45.084 15.691 -6.686 166 HG3 GLN 21 HG1 GLN 21 43.993 14.849 -7.799 167 HE21 GLN 21 HE21 GLN 21 45.344 18.211 -7.996 168 HE22 GLN 21 HE22 GLN 21 46.148 17.943 -9.547 169 H ASN 22 HN ASN 22 39.799 15.488 -6.000 170 HA ASN 22 HA ASN 22 37.785 16.606 -5.998 171 HB2 ASN 22 HB2 ASN 22 38.439 16.838 -3.726 172 HB3 ASN 22 HB1 ASN 22 39.446 18.269 -4.097 173 HD21 ASN 22 HD21 ASN 22 38.154 19.644 -2.642 174 HD22 ASN 22 HD22 ASN 22 36.528 20.152 -3.108 175 H HIS 23 HN HIS 23 38.863 17.014 -8.270 176 HA HIS 23 HA HIS 23 38.949 18.476 -10.084 177 HB2 HIS 23 HB2 HIS 23 36.539 18.700 -9.389 178 HB3 HIS 23 HB1 HIS 23 36.995 20.144 -8.455 179 HD1 HIS 23 HD1 HIS 23 36.664 22.269 -9.705 180 HD2 HIS 23 HD2 HIS 23 37.683 19.091 -12.264 181 HE1 HIS 23 HE1 HIS 23 36.663 23.182 -12.091 182 H HIS 24 HN HIS 24 41.082 19.154 -9.946 183 HA HIS 24 HA HIS 24 41.955 21.253 -8.174 184 HB2 HIS 24 HB2 HIS 24 43.482 19.610 -9.242 185 HB3 HIS 24 HB1 HIS 24 43.147 20.351 -10.826 186 HD1 HIS 24 HD1 HIS 24 44.675 21.163 -7.417 187 HD2 HIS 24 HD2 HIS 24 44.526 22.753 -11.308 188 HE1 HIS 24 HE1 HIS 24 46.370 23.071 -7.526 Start of MODEL 14 1 H1 PHE 1 HT1 PHE 1 57.542 6.394 8.049 2 H2 PHE 1 HT2 PHE 1 56.011 6.059 8.704 3 H3 PHE 1 HT3 PHE 1 57.055 7.148 9.486 4 HA PHE 1 HA PHE 1 55.076 7.805 7.802 5 HB2 PHE 1 HB2 PHE 1 57.640 9.310 8.460 6 HB3 PHE 1 HB1 PHE 1 56.153 10.047 7.817 7 HD1 PHE 1 HD1 PHE 1 54.091 10.138 9.180 8 HD2 PHE 1 HD2 PHE 1 57.761 8.513 10.764 9 HE1 PHE 1 HE1 PHE 1 53.158 10.278 11.486 10 HE2 PHE 1 HE2 PHE 1 56.828 8.653 13.070 11 HZ PHE 1 HZ PHE 1 54.509 9.492 13.426 12 H LEU 2 HN LEU 2 54.820 8.452 5.696 13 HA LEU 2 HA LEU 2 55.221 8.366 3.411 14 HB2 LEU 2 HB2 LEU 2 58.129 8.950 4.067 15 HB3 LEU 2 HB1 LEU 2 57.196 9.443 2.635 16 HG LEU 2 HG LEU 2 56.734 10.406 5.495 17 HD11 LEU 2 HD11 LEU 2 58.759 11.350 4.453 18 HD12 LEU 2 HD12 LEU 2 57.488 12.591 4.571 19 HD13 LEU 2 HD13 LEU 2 57.821 11.802 3.009 20 HD21 LEU 2 HD21 LEU 2 55.290 10.922 2.861 21 HD22 LEU 2 HD22 LEU 2 55.195 12.062 4.226 22 HD23 LEU 2 HD23 LEU 2 54.597 10.398 4.416 23 H GLY 3 HN GLY 3 57.433 7.614 1.890 24 HA2 GLY 3 HA1 GLY 3 58.599 5.751 1.142 25 HA3 GLY 3 HA2 GLY 3 58.484 5.061 2.773 26 H ALA 4 HN ALA 4 56.752 5.545 -0.295 27 HA ALA 4 HA ALA 4 55.696 2.856 -0.221 28 HB1 ALA 4 HB1 ALA 4 54.168 3.706 1.442 29 HB2 ALA 4 HB2 ALA 4 53.277 3.509 -0.086 30 HB3 ALA 4 HB3 ALA 4 53.796 5.129 0.441 31 H LEU 5 HN LEU 5 55.407 6.190 -1.422 32 HA LEU 5 HA LEU 5 55.719 5.308 -4.160 33 HB2 LEU 5 HB2 LEU 5 53.225 4.785 -3.497 34 HB3 LEU 5 HB1 LEU 5 53.001 6.542 -3.610 35 HG LEU 5 HG LEU 5 54.227 6.242 -5.973 36 HD11 LEU 5 HD11 LEU 5 53.042 3.475 -5.457 37 HD12 LEU 5 HD12 LEU 5 54.761 3.849 -5.711 38 HD13 LEU 5 HD13 LEU 5 53.600 4.071 -7.037 39 HD21 LEU 5 HD21 LEU 5 51.948 7.072 -5.778 40 HD22 LEU 5 HD22 LEU 5 51.340 5.443 -5.394 41 HD23 LEU 5 HD23 LEU 5 51.969 5.798 -7.021 42 H ILE 6 HN ILE 6 56.111 7.419 -1.755 43 HA ILE 6 HA ILE 6 56.569 9.718 -1.582 44 HB ILE 6 HB ILE 6 57.450 9.695 -4.512 45 HG12 ILE 6 HG12 ILE 6 58.793 8.163 -2.236 46 HG13 ILE 6 HG11 ILE 6 58.100 7.465 -3.718 47 HG21 ILE 6 HG21 ILE 6 58.996 10.594 -2.047 48 HG22 ILE 6 HG22 ILE 6 57.741 11.627 -2.768 49 HG23 ILE 6 HG23 ILE 6 59.158 11.148 -3.731 50 HD11 ILE 6 HD1 ILE 6 60.548 9.250 -3.453 51 HD12 ILE 6 HD2 ILE 6 59.738 8.976 -5.015 52 HD13 ILE 6 HD3 ILE 6 60.450 7.607 -4.128 53 H LYS 7 HN LYS 7 56.634 11.423 -4.183 54 HA LYS 7 HA LYS 7 55.131 13.098 -4.810 55 HB2 LYS 7 HB2 LYS 7 52.981 10.923 -4.650 56 HB3 LYS 7 HB1 LYS 7 52.877 12.454 -5.552 57 HG2 LYS 7 HG2 LYS 7 54.652 11.750 -7.065 58 HG3 LYS 7 HG1 LYS 7 54.943 10.281 -6.104 59 HD2 LYS 7 HD2 LYS 7 52.690 9.454 -6.627 60 HD3 LYS 7 HD1 LYS 7 52.324 10.951 -7.519 61 HE2 LYS 7 HE2 LYS 7 52.965 9.158 -9.087 62 HE3 LYS 7 HE1 LYS 7 54.187 10.453 -9.093 63 HZ1 LYS 7 HZ1 LYS 7 54.338 7.839 -7.681 64 HZ2 LYS 7 HZ2 LYS 7 55.442 9.107 -7.440 65 HZ3 LYS 7 HZ3 LYS 7 55.308 8.372 -8.965 66 H GLY 8 HN GLY 8 55.922 12.114 -2.416 67 HA2 GLY 8 HA1 GLY 8 55.633 11.908 -0.221 68 HA3 GLY 8 HA2 GLY 8 55.192 13.655 -0.362 69 H ALA 9 HN ALA 9 54.029 10.339 -0.196 70 HA ALA 9 HA ALA 9 52.042 9.440 0.524 71 HB1 ALA 9 HB1 ALA 9 52.606 10.934 2.499 72 HB2 ALA 9 HB2 ALA 9 50.884 10.524 2.311 73 HB3 ALA 9 HB3 ALA 9 51.477 12.126 1.814 74 H ILE 10 HN ILE 10 51.852 10.000 -1.998 75 HA ILE 10 HA ILE 10 50.561 10.873 -3.745 76 HB ILE 10 HB ILE 10 48.092 10.177 -3.461 77 HG12 ILE 10 HG12 ILE 10 49.193 8.991 -0.865 78 HG13 ILE 10 HG11 ILE 10 48.112 10.400 -0.936 79 HG21 ILE 10 HG21 ILE 10 49.948 8.740 -4.432 80 HG22 ILE 10 HG22 ILE 10 48.628 7.821 -3.679 81 HG23 ILE 10 HG23 ILE 10 50.167 8.037 -2.811 82 HD11 ILE 10 HD1 ILE 10 46.540 8.820 -2.334 83 HD12 ILE 10 HD2 ILE 10 46.618 8.611 -0.571 84 HD13 ILE 10 HD3 ILE 10 47.520 7.509 -1.635 85 H HIS 11 HN HIS 11 51.150 13.123 -3.219 86 HA HIS 11 HA HIS 11 50.573 15.343 -2.829 87 HB2 HIS 11 HB2 HIS 11 47.877 14.305 -3.788 88 HB3 HIS 11 HB1 HIS 11 48.380 16.012 -3.750 89 HD1 HIS 11 HD1 HIS 11 50.266 12.868 -4.923 90 HD2 HIS 11 HD2 HIS 11 48.937 16.572 -6.404 91 HE1 HIS 11 HE1 HIS 11 51.183 13.113 -7.295 92 H GLY 12 HN GLY 12 50.058 13.272 -0.649 93 HA2 GLY 12 HA1 GLY 12 49.283 13.346 1.530 94 HA3 GLY 12 HA2 GLY 12 49.054 15.092 1.308 95 H GLY 13 HN GLY 13 47.574 12.037 0.126 96 HA2 GLY 13 HA1 GLY 13 45.353 11.429 -0.034 97 HA3 GLY 13 HA2 GLY 13 45.063 12.467 1.377 98 H ARG 14 HN ARG 14 45.593 12.596 -2.161 99 HA ARG 14 HA ARG 14 43.256 14.328 -2.473 100 HB2 ARG 14 HB2 ARG 14 45.476 15.723 -1.774 101 HB3 ARG 14 HB1 ARG 14 45.779 15.621 -3.518 102 HG2 ARG 14 HG2 ARG 14 43.270 16.731 -2.171 103 HG3 ARG 14 HG1 ARG 14 44.532 17.676 -2.993 104 HD2 ARG 14 HD2 ARG 14 42.499 15.775 -4.202 105 HD3 ARG 14 HD1 ARG 14 42.823 17.471 -4.623 106 HE ARG 14 HE ARG 14 44.192 15.189 -5.735 107 HH11 ARG 14 HH11 ARG 14 46.201 15.495 -6.755 108 HH12 ARG 14 HH12 ARG 14 46.883 17.086 -6.808 109 HH21 ARG 14 HH21 ARG 14 44.394 18.505 -4.853 110 HH22 ARG 14 HH22 ARG 14 45.861 18.790 -5.729 111 H PHE 15 HN PHE 15 46.192 12.820 -3.788 112 HA PHE 15 HA PHE 15 45.879 13.032 -6.520 113 HB2 PHE 15 HB2 PHE 15 47.615 11.671 -5.295 114 HB3 PHE 15 HB1 PHE 15 46.399 10.385 -5.114 115 HD1 PHE 15 HD1 PHE 15 48.528 12.249 -7.505 116 HD2 PHE 15 HD2 PHE 15 45.600 9.111 -7.050 117 HE1 PHE 15 HE1 PHE 15 49.038 11.438 -9.805 118 HE2 PHE 15 HE2 PHE 15 46.110 8.302 -9.350 119 HZ PHE 15 HZ PHE 15 47.873 9.427 -10.704 120 H ILE 16 HN ILE 16 44.104 10.744 -4.403 121 HA ILE 16 HA ILE 16 42.441 9.844 -6.676 122 HB ILE 16 HB ILE 16 42.064 9.222 -3.714 123 HG12 ILE 16 HG12 ILE 16 43.800 7.848 -5.817 124 HG13 ILE 16 HG11 ILE 16 44.378 8.693 -4.363 125 HG21 ILE 16 HG21 ILE 16 40.817 7.333 -4.488 126 HG22 ILE 16 HG22 ILE 16 41.401 7.531 -6.159 127 HG23 ILE 16 HG23 ILE 16 40.244 8.696 -5.475 128 HD11 ILE 16 HD1 ILE 16 42.820 6.090 -4.537 129 HD12 ILE 16 HD2 ILE 16 42.914 7.028 -3.026 130 HD13 ILE 16 HD3 ILE 16 44.396 6.388 -3.771 131 H HIS 17 HN HIS 17 41.356 10.838 -3.396 132 HA HIS 17 HA HIS 17 39.938 13.172 -4.344 133 HB2 HIS 17 HB2 HIS 17 38.535 11.434 -5.442 134 HB3 HIS 17 HB1 HIS 17 38.222 10.707 -3.849 135 HD1 HIS 17 HD1 HIS 17 36.463 11.782 -2.362 136 HD2 HIS 17 HD2 HIS 17 37.387 14.089 -5.756 137 HE1 HIS 17 HE1 HIS 17 34.794 13.713 -2.448 138 H GLY 18 HN GLY 18 41.661 12.772 -2.274 139 HA2 GLY 18 HA1 GLY 18 41.296 13.961 -0.107 140 HA3 GLY 18 HA2 GLY 18 39.886 12.910 0.156 141 H MET 19 HN MET 19 40.917 10.580 -0.879 142 HA MET 19 HA MET 19 43.138 9.409 -0.457 143 HB2 MET 19 HB2 MET 19 43.954 10.343 1.542 144 HB3 MET 19 HB1 MET 19 42.397 10.189 2.354 145 HG2 MET 19 HG2 MET 19 42.654 7.807 2.591 146 HG3 MET 19 HG1 MET 19 44.022 7.784 1.454 147 HE1 MET 19 HE1 MET 19 46.120 9.425 1.864 148 HE2 MET 19 HE2 MET 19 46.359 7.692 2.187 149 HE3 MET 19 HE3 MET 19 47.035 8.905 3.299 150 H ILE 20 HN ILE 20 42.107 8.067 -1.763 151 HA ILE 20 HA ILE 20 40.826 6.195 -2.293 152 HB ILE 20 HB ILE 20 40.570 5.572 0.691 153 HG12 ILE 20 HG12 ILE 20 42.936 4.983 -1.151 154 HG13 ILE 20 HG11 ILE 20 42.949 6.077 0.248 155 HG21 ILE 20 HG21 ILE 20 40.982 3.664 -1.649 156 HG22 ILE 20 HG22 ILE 20 39.366 4.246 -1.198 157 HG23 ILE 20 HG23 ILE 20 40.327 3.311 -0.033 158 HD11 ILE 20 HD1 ILE 20 42.664 3.055 0.220 159 HD12 ILE 20 HD2 ILE 20 42.175 4.022 1.634 160 HD13 ILE 20 HD3 ILE 20 43.866 4.047 1.079 161 H GLN 21 HN GLN 21 40.045 8.871 -1.494 162 HA GLN 21 HA GLN 21 38.017 10.048 -1.590 163 HB2 GLN 21 HB2 GLN 21 36.457 7.542 -0.820 164 HB3 GLN 21 HB1 GLN 21 35.846 9.048 -1.527 165 HG2 GLN 21 HG2 GLN 21 37.432 8.486 -3.545 166 HG3 GLN 21 HG1 GLN 21 37.437 6.839 -2.875 167 HE21 GLN 21 HE21 GLN 21 35.344 9.381 -4.292 168 HE22 GLN 21 HE22 GLN 21 34.005 8.289 -4.658 169 H ASN 22 HN ASN 22 39.900 9.542 0.384 170 HA ASN 22 HA ASN 22 40.286 9.647 2.643 171 HB2 ASN 22 HB2 ASN 22 39.748 11.906 2.247 172 HB3 ASN 22 HB1 ASN 22 37.989 11.579 2.290 173 HD21 ASN 22 HD21 ASN 22 38.297 13.428 4.058 174 HD22 ASN 22 HD22 ASN 22 38.577 12.846 5.702 175 H HIS 23 HN HIS 23 39.552 7.389 2.393 176 HA HIS 23 HA HIS 23 38.403 5.573 3.309 177 HB2 HIS 23 HB2 HIS 23 38.238 7.545 5.622 178 HB3 HIS 23 HB1 HIS 23 37.830 5.817 5.749 179 HD1 HIS 23 HD1 HIS 23 39.865 4.144 4.827 180 HD2 HIS 23 HD2 HIS 23 40.916 8.018 6.086 181 HE1 HIS 23 HE1 HIS 23 42.381 4.141 5.279 182 H HIS 24 HN HIS 24 36.454 7.745 5.272 183 HA HIS 24 HA HIS 24 33.999 6.551 4.411 184 HB2 HIS 24 HB2 HIS 24 34.335 7.757 6.574 185 HB3 HIS 24 HB1 HIS 24 34.410 9.290 5.673 186 HD1 HIS 24 HD1 HIS 24 32.081 7.061 3.998 187 HD2 HIS 24 HD2 HIS 24 31.871 9.622 7.329 188 HE1 HIS 24 HE1 HIS 24 29.609 7.532 4.442 Start of MODEL 15 1 H1 PHE 1 HT1 PHE 1 55.023 11.127 8.926 2 H2 PHE 1 HT2 PHE 1 54.412 11.301 7.349 3 H3 PHE 1 HT3 PHE 1 55.998 11.794 7.710 4 HA PHE 1 HA PHE 1 56.839 9.768 7.589 5 HB2 PHE 1 HB2 PHE 1 55.609 9.030 9.598 6 HB3 PHE 1 HB1 PHE 1 54.163 8.726 8.605 7 HD1 PHE 1 HD1 PHE 1 57.839 7.877 8.728 8 HD2 PHE 1 HD2 PHE 1 53.857 6.553 7.712 9 HE1 PHE 1 HE1 PHE 1 58.733 5.625 8.157 10 HE2 PHE 1 HE2 PHE 1 54.753 4.299 7.143 11 HZ PHE 1 HZ PHE 1 57.182 3.820 7.417 12 H LEU 2 HN LEU 2 56.863 8.095 5.999 13 HA LEU 2 HA LEU 2 55.416 8.854 3.590 14 HB2 LEU 2 HB2 LEU 2 57.321 6.607 4.326 15 HB3 LEU 2 HB1 LEU 2 56.521 6.654 2.738 16 HG LEU 2 HG LEU 2 57.490 8.842 2.256 17 HD11 LEU 2 HD11 LEU 2 58.457 8.657 5.135 18 HD12 LEU 2 HD12 LEU 2 57.515 9.957 4.363 19 HD13 LEU 2 HD13 LEU 2 59.231 9.740 3.952 20 HD21 LEU 2 HD21 LEU 2 59.555 6.913 3.411 21 HD22 LEU 2 HD22 LEU 2 59.899 8.216 2.249 22 HD23 LEU 2 HD23 LEU 2 58.867 6.846 1.771 23 H GLY 3 HN GLY 3 54.622 6.688 2.287 24 HA2 GLY 3 HA1 GLY 3 53.171 4.716 3.701 25 HA3 GLY 3 HA2 GLY 3 52.081 6.097 3.468 26 H ALA 4 HN ALA 4 54.254 6.213 0.980 27 HA ALA 4 HA ALA 4 53.162 4.133 -0.739 28 HB1 ALA 4 HB1 ALA 4 51.904 5.538 -2.258 29 HB2 ALA 4 HB2 ALA 4 52.298 6.989 -1.305 30 HB3 ALA 4 HB3 ALA 4 51.239 5.734 -0.619 31 H LEU 5 HN LEU 5 53.561 5.208 -3.219 32 HA LEU 5 HA LEU 5 56.479 5.360 -3.282 33 HB2 LEU 5 HB2 LEU 5 54.624 5.913 -5.622 34 HB3 LEU 5 HB1 LEU 5 56.261 5.214 -5.638 35 HG LEU 5 HG LEU 5 53.727 3.914 -4.543 36 HD11 LEU 5 HD11 LEU 5 54.198 2.252 -6.340 37 HD12 LEU 5 HD12 LEU 5 55.581 3.237 -6.872 38 HD13 LEU 5 HD13 LEU 5 53.926 3.881 -7.000 39 HD21 LEU 5 HD21 LEU 5 55.502 3.219 -3.088 40 HD22 LEU 5 HD22 LEU 5 56.660 3.091 -4.434 41 HD23 LEU 5 HD23 LEU 5 55.336 1.911 -4.280 42 H ILE 6 HN ILE 6 56.324 7.364 -1.792 43 HA ILE 6 HA ILE 6 56.469 9.697 -1.512 44 HB ILE 6 HB ILE 6 57.502 9.902 -4.384 45 HG12 ILE 6 HG12 ILE 6 58.898 8.456 -2.084 46 HG13 ILE 6 HG11 ILE 6 58.387 7.742 -3.632 47 HG21 ILE 6 HG21 ILE 6 57.449 11.785 -2.572 48 HG22 ILE 6 HG22 ILE 6 58.972 11.520 -3.452 49 HG23 ILE 6 HG23 ILE 6 58.776 10.887 -1.800 50 HD11 ILE 6 HD1 ILE 6 60.572 9.800 -3.143 51 HD12 ILE 6 HD2 ILE 6 59.895 9.505 -4.764 52 HD13 ILE 6 HD3 ILE 6 60.719 8.192 -3.889 53 H LYS 7 HN LYS 7 56.456 11.491 -4.055 54 HA LYS 7 HA LYS 7 54.791 12.985 -4.719 55 HB2 LYS 7 HB2 LYS 7 52.873 10.604 -4.720 56 HB3 LYS 7 HB1 LYS 7 52.711 12.113 -5.649 57 HG2 LYS 7 HG2 LYS 7 54.648 11.546 -7.015 58 HG3 LYS 7 HG1 LYS 7 54.984 10.113 -6.014 59 HD2 LYS 7 HD2 LYS 7 52.869 9.087 -6.695 60 HD3 LYS 7 HD1 LYS 7 52.421 10.548 -7.609 61 HE2 LYS 7 HE2 LYS 7 53.365 8.715 -9.057 62 HE3 LYS 7 HE1 LYS 7 54.297 10.231 -9.137 63 HZ1 LYS 7 HZ1 LYS 7 55.555 8.037 -8.808 64 HZ2 LYS 7 HZ2 LYS 7 55.004 8.107 -7.201 65 HZ3 LYS 7 HZ3 LYS 7 55.978 9.352 -7.824 66 H GLY 8 HN GLY 8 55.559 12.009 -2.314 67 HA2 GLY 8 HA1 GLY 8 55.181 11.695 -0.143 68 HA3 GLY 8 HA2 GLY 8 54.542 13.382 -0.257 69 H ALA 9 HN ALA 9 53.758 9.951 -0.356 70 HA ALA 9 HA ALA 9 51.865 8.787 0.216 71 HB1 ALA 9 HB1 ALA 9 52.066 10.320 2.264 72 HB2 ALA 9 HB2 ALA 9 50.461 9.623 1.940 73 HB3 ALA 9 HB3 ALA 9 50.800 11.316 1.510 74 H ILE 10 HN ILE 10 51.605 8.949 -2.164 75 HA ILE 10 HA ILE 10 50.199 9.127 -3.977 76 HB ILE 10 HB ILE 10 48.248 9.659 -1.719 77 HG12 ILE 10 HG12 ILE 10 47.070 7.766 -2.786 78 HG13 ILE 10 HG11 ILE 10 48.247 7.783 -4.120 79 HG21 ILE 10 HG21 ILE 10 46.408 9.916 -3.519 80 HG22 ILE 10 HG22 ILE 10 47.724 10.406 -4.612 81 HG23 ILE 10 HG23 ILE 10 47.389 11.351 -3.139 82 HD11 ILE 10 HD1 ILE 10 48.699 6.077 -2.266 83 HD12 ILE 10 HD2 ILE 10 49.060 7.458 -1.204 84 HD13 ILE 10 HD3 ILE 10 50.052 7.166 -2.652 85 H HIS 11 HN HIS 11 49.182 11.944 -1.987 86 HA HIS 11 HA HIS 11 50.642 13.780 -3.760 87 HB2 HIS 11 HB2 HIS 11 48.460 13.244 -4.981 88 HB3 HIS 11 HB1 HIS 11 47.607 14.001 -3.616 89 HD1 HIS 11 HD1 HIS 11 47.731 16.564 -3.359 90 HD2 HIS 11 HD2 HIS 11 49.920 15.070 -6.624 91 HE1 HIS 11 HE1 HIS 11 48.454 18.566 -4.773 92 H GLY 12 HN GLY 12 49.635 12.732 -0.896 93 HA2 GLY 12 HA1 GLY 12 50.219 13.868 1.141 94 HA3 GLY 12 HA2 GLY 12 49.919 15.437 0.367 95 H GLY 13 HN GLY 13 47.911 12.474 0.449 96 HA2 GLY 13 HA1 GLY 13 45.680 12.235 1.043 97 HA3 GLY 13 HA2 GLY 13 46.146 13.144 2.496 98 H ARG 14 HN ARG 14 45.280 13.609 -0.948 99 HA ARG 14 HA ARG 14 43.292 15.617 -0.198 100 HB2 ARG 14 HB2 ARG 14 45.298 17.023 -0.084 101 HB3 ARG 14 HB1 ARG 14 45.813 16.465 -1.690 102 HG2 ARG 14 HG2 ARG 14 44.720 18.724 -1.734 103 HG3 ARG 14 HG1 ARG 14 43.872 17.529 -2.738 104 HD2 ARG 14 HD2 ARG 14 42.066 17.356 -1.225 105 HD3 ARG 14 HD1 ARG 14 43.027 17.964 0.147 106 HE ARG 14 HE ARG 14 42.338 20.121 -0.481 107 HH11 ARG 14 HH11 ARG 14 41.688 17.886 -2.990 108 HH12 ARG 14 HH12 ARG 14 41.327 19.098 -4.174 109 HH21 ARG 14 HH21 ARG 14 42.133 21.749 -2.089 110 HH22 ARG 14 HH22 ARG 14 41.580 21.286 -3.663 111 H PHE 15 HN PHE 15 44.920 13.498 -2.373 112 HA PHE 15 HA PHE 15 43.881 14.158 -4.886 113 HB2 PHE 15 HB2 PHE 15 45.405 12.212 -4.297 114 HB3 PHE 15 HB1 PHE 15 43.956 11.330 -3.762 115 HD1 PHE 15 HD1 PHE 15 42.629 10.159 -5.353 116 HD2 PHE 15 HD2 PHE 15 45.383 13.197 -6.702 117 HE1 PHE 15 HE1 PHE 15 42.159 9.535 -7.718 118 HE2 PHE 15 HE2 PHE 15 44.912 12.572 -9.067 119 HZ PHE 15 HZ PHE 15 43.239 10.798 -9.575 120 H ILE 16 HN ILE 16 42.195 13.293 -2.029 121 HA ILE 16 HA ILE 16 39.614 13.423 -3.500 122 HB ILE 16 HB ILE 16 40.052 11.189 -1.468 123 HG12 ILE 16 HG12 ILE 16 40.368 11.097 -4.503 124 HG13 ILE 16 HG11 ILE 16 41.626 10.763 -3.291 125 HG21 ILE 16 HG21 ILE 16 38.039 11.449 -3.741 126 HG22 ILE 16 HG22 ILE 16 37.732 12.086 -2.107 127 HG23 ILE 16 HG23 ILE 16 37.983 10.342 -2.349 128 HD11 ILE 16 HD1 ILE 16 40.002 8.917 -2.413 129 HD12 ILE 16 HD2 ILE 16 40.877 8.607 -3.932 130 HD13 ILE 16 HD3 ILE 16 39.172 9.112 -3.977 131 H HIS 17 HN HIS 17 40.562 12.376 -0.184 132 HA HIS 17 HA HIS 17 39.921 14.976 0.973 133 HB2 HIS 17 HB2 HIS 17 37.948 12.668 1.224 134 HB3 HIS 17 HB1 HIS 17 38.023 14.000 2.400 135 HD1 HIS 17 HD1 HIS 17 36.311 13.026 -0.610 136 HD2 HIS 17 HD2 HIS 17 37.764 16.658 0.930 137 HE1 HIS 17 HE1 HIS 17 35.157 14.911 -1.891 138 H GLY 18 HN GLY 18 42.247 13.766 1.131 139 HA2 GLY 18 HA1 GLY 18 43.786 12.941 2.659 140 HA3 GLY 18 HA2 GLY 18 42.572 13.166 3.915 141 H MET 19 HN MET 19 42.990 11.172 1.036 142 HA MET 19 HA MET 19 42.385 8.985 0.822 143 HB2 MET 19 HB2 MET 19 44.028 8.793 3.279 144 HB3 MET 19 HB1 MET 19 43.635 7.409 2.231 145 HG2 MET 19 HG2 MET 19 44.845 8.360 0.377 146 HG3 MET 19 HG1 MET 19 45.024 9.922 1.214 147 HE1 MET 19 HE1 MET 19 45.564 6.065 1.884 148 HE2 MET 19 HE2 MET 19 47.342 6.020 1.805 149 HE3 MET 19 HE3 MET 19 46.403 6.567 0.396 150 H ILE 20 HN ILE 20 40.574 10.595 2.599 151 HA ILE 20 HA ILE 20 38.719 10.104 3.912 152 HB ILE 20 HB ILE 20 39.007 7.413 2.479 153 HG12 ILE 20 HG12 ILE 20 36.903 8.159 1.394 154 HG13 ILE 20 HG11 ILE 20 36.939 9.655 2.358 155 HG21 ILE 20 HG21 ILE 20 36.643 6.999 3.446 156 HG22 ILE 20 HG22 ILE 20 37.040 8.262 4.637 157 HG23 ILE 20 HG23 ILE 20 38.015 6.776 4.555 158 HD11 ILE 20 HD1 ILE 20 39.291 8.868 0.599 159 HD12 ILE 20 HD2 ILE 20 38.860 10.475 1.233 160 HD13 ILE 20 HD3 ILE 20 37.891 9.742 -0.065 161 H GLN 21 HN GLN 21 41.771 8.771 4.077 162 HA GLN 21 HA GLN 21 41.297 7.582 6.840 163 HB2 GLN 21 HB2 GLN 21 42.276 6.096 5.013 164 HB3 GLN 21 HB1 GLN 21 43.698 7.168 5.018 165 HG2 GLN 21 HG2 GLN 21 43.977 6.741 7.465 166 HG3 GLN 21 HG1 GLN 21 42.608 5.607 7.401 167 HE21 GLN 21 HE21 GLN 21 42.991 3.480 6.644 168 HE22 GLN 21 HE22 GLN 21 44.564 2.945 6.042 169 H ASN 22 HN ASN 22 43.348 9.777 4.839 170 HA ASN 22 HA ASN 22 44.828 10.648 7.243 171 HB2 ASN 22 HB2 ASN 22 46.022 10.588 5.109 172 HB3 ASN 22 HB1 ASN 22 44.780 11.605 4.344 173 HD21 ASN 22 HD21 ASN 22 47.025 11.670 7.212 174 HD22 ASN 22 HD22 ASN 22 47.373 13.396 7.064 175 H HIS 23 HN HIS 23 42.083 11.419 5.198 176 HA HIS 23 HA HIS 23 40.469 13.103 5.406 177 HB2 HIS 23 HB2 HIS 23 41.372 12.931 8.306 178 HB3 HIS 23 HB1 HIS 23 39.974 13.886 7.762 179 HD1 HIS 23 HD1 HIS 23 38.128 12.432 6.296 180 HD2 HIS 23 HD2 HIS 23 40.776 10.256 8.732 181 HE1 HIS 23 HE1 HIS 23 37.096 10.126 6.672 182 H HIS 24 HN HIS 24 40.146 15.441 6.632 183 HA HIS 24 HA HIS 24 42.061 17.136 5.315 184 HB2 HIS 24 HB2 HIS 24 40.090 17.827 7.529 185 HB3 HIS 24 HB1 HIS 24 40.881 18.976 6.423 186 HD1 HIS 24 HD1 HIS 24 40.067 19.078 3.966 187 HD2 HIS 24 HD2 HIS 24 38.083 16.183 6.283 188 HE1 HIS 24 HE1 HIS 24 38.026 18.306 2.636 Start of MODEL 16 1 H1 PHE 1 HT1 PHE 1 54.896 2.457 -10.257 2 H2 PHE 1 HT2 PHE 1 56.230 2.674 -11.288 3 H3 PHE 1 HT3 PHE 1 54.656 2.985 -11.849 4 HA PHE 1 HA PHE 1 56.207 4.903 -11.145 5 HB2 PHE 1 HB2 PHE 1 54.154 6.165 -10.417 6 HB3 PHE 1 HB1 PHE 1 53.943 5.251 -11.930 7 HD1 PHE 1 HD1 PHE 1 52.877 5.617 -8.447 8 HD2 PHE 1 HD2 PHE 1 52.764 3.024 -11.895 9 HE1 PHE 1 HE1 PHE 1 50.981 4.355 -7.436 10 HE2 PHE 1 HE2 PHE 1 50.868 1.764 -10.886 11 HZ PHE 1 HZ PHE 1 49.932 2.474 -8.688 12 H LEU 2 HN LEU 2 57.421 5.547 -9.503 13 HA LEU 2 HA LEU 2 57.137 4.296 -6.875 14 HB2 LEU 2 HB2 LEU 2 58.859 6.710 -7.531 15 HB3 LEU 2 HB1 LEU 2 59.136 5.442 -6.311 16 HG LEU 2 HG LEU 2 59.223 5.102 -9.343 17 HD11 LEU 2 HD11 LEU 2 61.611 4.577 -8.911 18 HD12 LEU 2 HD12 LEU 2 61.365 4.904 -7.178 19 HD13 LEU 2 HD13 LEU 2 61.200 6.220 -8.366 20 HD21 LEU 2 HD21 LEU 2 60.081 2.762 -8.645 21 HD22 LEU 2 HD22 LEU 2 58.336 3.054 -8.478 22 HD23 LEU 2 HD23 LEU 2 59.388 3.109 -7.042 23 H GLY 3 HN GLY 3 55.066 6.274 -8.165 24 HA2 GLY 3 HA1 GLY 3 55.004 8.574 -6.451 25 HA3 GLY 3 HA2 GLY 3 53.642 7.921 -7.383 26 H ALA 4 HN ALA 4 54.229 5.254 -5.916 27 HA ALA 4 HA ALA 4 52.280 5.740 -3.785 28 HB1 ALA 4 HB1 ALA 4 53.897 3.258 -4.465 29 HB2 ALA 4 HB2 ALA 4 52.295 3.665 -5.126 30 HB3 ALA 4 HB3 ALA 4 52.483 3.331 -3.387 31 H LEU 5 HN LEU 5 55.746 5.621 -4.080 32 HA LEU 5 HA LEU 5 56.147 5.196 -1.166 33 HB2 LEU 5 HB2 LEU 5 57.979 5.545 -3.560 34 HB3 LEU 5 HB1 LEU 5 58.611 5.596 -1.903 35 HG LEU 5 HG LEU 5 58.705 3.326 -3.094 36 HD11 LEU 5 HD11 LEU 5 58.714 3.745 -0.522 37 HD12 LEU 5 HD12 LEU 5 58.358 2.104 -1.100 38 HD13 LEU 5 HD13 LEU 5 57.037 3.155 -0.555 39 HD21 LEU 5 HD21 LEU 5 56.691 2.017 -3.302 40 HD22 LEU 5 HD22 LEU 5 56.386 3.576 -4.102 41 HD23 LEU 5 HD23 LEU 5 55.716 3.260 -2.484 42 H ILE 6 HN ILE 6 55.354 7.751 -3.203 43 HA ILE 6 HA ILE 6 55.896 9.720 -1.078 44 HB ILE 6 HB ILE 6 57.203 11.270 -2.605 45 HG12 ILE 6 HG12 ILE 6 57.399 8.779 -4.357 46 HG13 ILE 6 HG11 ILE 6 56.545 10.286 -4.765 47 HG21 ILE 6 HG21 ILE 6 58.714 8.653 -2.293 48 HG22 ILE 6 HG22 ILE 6 58.291 9.689 -0.907 49 HG23 ILE 6 HG23 ILE 6 59.344 10.314 -2.195 50 HD11 ILE 6 HD1 ILE 6 58.845 11.455 -4.388 51 HD12 ILE 6 HD2 ILE 6 58.633 10.495 -5.872 52 HD13 ILE 6 HD3 ILE 6 59.533 9.816 -4.496 53 H LYS 7 HN LYS 7 55.677 12.015 -2.877 54 HA LYS 7 HA LYS 7 53.798 13.258 -3.463 55 HB2 LYS 7 HB2 LYS 7 53.100 10.608 -4.823 56 HB3 LYS 7 HB1 LYS 7 52.016 12.012 -4.894 57 HG2 LYS 7 HG2 LYS 7 53.900 13.369 -5.843 58 HG3 LYS 7 HG1 LYS 7 54.899 11.895 -5.870 59 HD2 LYS 7 HD2 LYS 7 53.108 10.804 -7.291 60 HD3 LYS 7 HD1 LYS 7 52.307 12.391 -7.392 61 HE2 LYS 7 HE2 LYS 7 54.271 13.375 -8.452 62 HE3 LYS 7 HE1 LYS 7 55.192 11.867 -8.228 63 HZ1 LYS 7 HZ1 LYS 7 54.145 12.251 -10.488 64 HZ2 LYS 7 HZ2 LYS 7 52.645 11.950 -9.748 65 HZ3 LYS 7 HZ3 LYS 7 53.846 10.748 -9.762 66 H GLY 8 HN GLY 8 54.435 11.680 -1.359 67 HA2 GLY 8 HA1 GLY 8 53.904 10.710 0.527 68 HA3 GLY 8 HA2 GLY 8 52.604 11.959 0.648 69 H ALA 9 HN ALA 9 53.308 8.938 -1.134 70 HA ALA 9 HA ALA 9 52.060 7.034 -1.492 71 HB1 ALA 9 HB1 ALA 9 50.402 7.840 0.912 72 HB2 ALA 9 HB2 ALA 9 52.026 7.126 1.047 73 HB3 ALA 9 HB3 ALA 9 50.709 6.205 0.282 74 H ILE 10 HN ILE 10 51.011 9.983 -2.119 75 HA ILE 10 HA ILE 10 48.783 9.029 -3.736 76 HB ILE 10 HB ILE 10 47.222 10.934 -2.500 77 HG12 ILE 10 HG12 ILE 10 48.652 9.582 -0.172 78 HG13 ILE 10 HG11 ILE 10 49.112 11.188 -0.772 79 HG21 ILE 10 HG21 ILE 10 46.724 8.422 -2.985 80 HG22 ILE 10 HG22 ILE 10 45.869 9.205 -1.644 81 HG23 ILE 10 HG23 ILE 10 47.243 8.138 -1.309 82 HD11 ILE 10 HD1 ILE 10 47.561 11.485 1.071 83 HD12 ILE 10 HD2 ILE 10 46.400 10.353 0.341 84 HD13 ILE 10 HD3 ILE 10 46.717 11.926 -0.431 85 H HIS 11 HN HIS 11 48.739 12.213 -2.234 86 HA HIS 11 HA HIS 11 50.192 13.428 -4.540 87 HB2 HIS 11 HB2 HIS 11 47.732 13.269 -5.134 88 HB3 HIS 11 HB1 HIS 11 47.397 14.322 -3.738 89 HD1 HIS 11 HD1 HIS 11 50.600 14.989 -5.513 90 HD2 HIS 11 HD2 HIS 11 46.628 16.362 -5.690 91 HE1 HIS 11 HE1 HIS 11 50.599 17.141 -6.890 92 H GLY 12 HN GLY 12 50.453 13.024 -1.529 93 HA2 GLY 12 HA1 GLY 12 51.572 14.345 0.045 94 HA3 GLY 12 HA2 GLY 12 51.328 15.775 -0.976 95 H GLY 13 HN GLY 13 48.878 13.491 0.250 96 HA2 GLY 13 HA1 GLY 13 47.175 13.813 1.795 97 HA3 GLY 13 HA2 GLY 13 48.028 15.251 2.391 98 H ARG 14 HN ARG 14 47.772 15.636 -0.889 99 HA ARG 14 HA ARG 14 45.739 17.679 -0.584 100 HB2 ARG 14 HB2 ARG 14 47.770 17.106 -2.429 101 HB3 ARG 14 HB1 ARG 14 46.303 16.785 -3.372 102 HG2 ARG 14 HG2 ARG 14 46.823 19.363 -1.810 103 HG3 ARG 14 HG1 ARG 14 47.120 19.159 -3.550 104 HD2 ARG 14 HD2 ARG 14 44.433 18.879 -2.134 105 HD3 ARG 14 HD1 ARG 14 44.927 20.199 -3.219 106 HE ARG 14 HE ARG 14 44.015 17.557 -4.050 107 HH11 ARG 14 HH11 ARG 14 46.062 20.239 -4.761 108 HH12 ARG 14 HH12 ARG 14 46.037 19.976 -6.472 109 HH21 ARG 14 HH21 ARG 14 43.961 17.204 -6.282 110 HH22 ARG 14 HH22 ARG 14 44.849 18.256 -7.333 111 H PHE 15 HN PHE 15 45.662 14.301 -1.069 112 HA PHE 15 HA PHE 15 43.248 14.110 -2.640 113 HB2 PHE 15 HB2 PHE 15 44.867 12.238 -2.299 114 HB3 PHE 15 HB1 PHE 15 44.360 12.149 -0.595 115 HD1 PHE 15 HD1 PHE 15 43.412 11.458 -4.090 116 HD2 PHE 15 HD2 PHE 15 42.063 11.443 0.009 117 HE1 PHE 15 HE1 PHE 15 41.470 10.035 -4.735 118 HE2 PHE 15 HE2 PHE 15 40.121 10.019 -0.635 119 HZ PHE 15 HZ PHE 15 39.819 9.325 -3.008 120 H ILE 16 HN ILE 16 43.950 14.368 0.835 121 HA ILE 16 HA ILE 16 41.287 13.803 1.740 122 HB ILE 16 HB ILE 16 43.401 15.579 3.038 123 HG12 ILE 16 HG12 ILE 16 42.776 12.658 3.668 124 HG13 ILE 16 HG11 ILE 16 43.972 13.093 2.428 125 HG21 ILE 16 HG21 ILE 16 41.244 15.982 4.049 126 HG22 ILE 16 HG22 ILE 16 42.111 14.872 5.131 127 HG23 ILE 16 HG23 ILE 16 40.851 14.246 4.045 128 HD11 ILE 16 HD1 ILE 16 45.066 14.574 4.273 129 HD12 ILE 16 HD2 ILE 16 45.257 12.813 4.400 130 HD13 ILE 16 HD3 ILE 16 44.064 13.648 5.416 131 H HIS 17 HN HIS 17 42.668 17.049 2.344 132 HA HIS 17 HA HIS 17 40.554 18.300 0.661 133 HB2 HIS 17 HB2 HIS 17 39.552 17.769 2.976 134 HB3 HIS 17 HB1 HIS 17 40.694 18.964 3.629 135 HD1 HIS 17 HD1 HIS 17 40.491 21.466 2.650 136 HD2 HIS 17 HD2 HIS 17 37.335 18.871 1.662 137 HE1 HIS 17 HE1 HIS 17 38.538 22.911 1.859 138 H GLY 18 HN GLY 18 43.582 18.020 1.306 139 HA2 GLY 18 HA1 GLY 18 44.649 20.241 0.189 140 HA3 GLY 18 HA2 GLY 18 44.347 20.821 1.847 141 H MET 19 HN MET 19 44.855 18.936 3.465 142 HA MET 19 HA MET 19 46.801 17.111 3.364 143 HB2 MET 19 HB2 MET 19 48.432 18.542 2.259 144 HB3 MET 19 HB1 MET 19 48.181 19.783 3.501 145 HG2 MET 19 HG2 MET 19 49.516 18.659 5.047 146 HG3 MET 19 HG1 MET 19 49.023 17.051 4.465 147 HE1 MET 19 HE1 MET 19 50.592 20.333 3.190 148 HE2 MET 19 HE2 MET 19 52.259 19.853 2.790 149 HE3 MET 19 HE3 MET 19 51.696 19.792 4.477 150 H ILE 20 HN ILE 20 44.567 18.474 4.641 151 HA ILE 20 HA ILE 20 43.794 18.781 6.810 152 HB ILE 20 HB ILE 20 46.216 17.066 7.588 153 HG12 ILE 20 HG12 ILE 20 44.604 15.815 6.241 154 HG13 ILE 20 HG11 ILE 20 44.506 15.277 7.928 155 HG21 ILE 20 HG21 ILE 20 44.076 18.421 9.233 156 HG22 ILE 20 HG22 ILE 20 45.786 18.125 9.609 157 HG23 ILE 20 HG23 ILE 20 44.611 16.796 9.728 158 HD11 ILE 20 HD1 ILE 20 42.569 17.116 8.071 159 HD12 ILE 20 HD2 ILE 20 42.234 15.509 7.401 160 HD13 ILE 20 HD3 ILE 20 42.514 16.884 6.310 161 H GLN 21 HN GLN 21 46.661 19.707 5.436 162 HA GLN 21 HA GLN 21 47.254 21.701 7.685 163 HB2 GLN 21 HB2 GLN 21 49.094 20.094 6.907 164 HB3 GLN 21 HB1 GLN 21 49.063 20.961 5.355 165 HG2 GLN 21 HG2 GLN 21 50.780 22.008 6.670 166 HG3 GLN 21 HG1 GLN 21 49.391 23.120 6.690 167 HE21 GLN 21 HE21 GLN 21 51.037 20.548 8.626 168 HE22 GLN 21 HE22 GLN 21 50.428 21.130 10.180 169 H ASN 22 HN ASN 22 46.772 21.256 4.164 170 HA ASN 22 HA ASN 22 46.763 24.205 3.763 171 HB2 ASN 22 HB2 ASN 22 46.483 21.804 1.917 172 HB3 ASN 22 HB1 ASN 22 46.222 23.473 1.360 173 HD21 ASN 22 HD21 ASN 22 48.572 22.983 3.935 174 HD22 ASN 22 HD22 ASN 22 50.003 23.199 2.924 175 H HIS 23 HN HIS 23 44.631 21.514 4.330 176 HA HIS 23 HA HIS 23 42.219 22.321 3.171 177 HB2 HIS 23 HB2 HIS 23 42.497 20.249 4.469 178 HB3 HIS 23 HB1 HIS 23 42.655 21.195 5.966 179 HD1 HIS 23 HD1 HIS 23 40.261 23.030 4.095 180 HD2 HIS 23 HD2 HIS 23 40.089 19.370 6.158 181 HE1 HIS 23 HE1 HIS 23 37.805 22.574 4.633 182 H HIS 24 HN HIS 24 43.177 23.124 6.547 183 HA HIS 24 HA HIS 24 41.132 25.119 6.847 184 HB2 HIS 24 HB2 HIS 24 43.766 24.723 8.320 185 HB3 HIS 24 HB1 HIS 24 42.468 25.824 8.839 186 HD1 HIS 24 HD1 HIS 24 41.942 22.356 7.331 187 HD2 HIS 24 HD2 HIS 24 41.530 24.333 11.021 188 HE1 HIS 24 HE1 HIS 24 40.733 20.761 8.917 Start of MODEL 17 1 H1 PHE 1 HT1 PHE 1 58.899 6.113 7.848 2 H2 PHE 1 HT2 PHE 1 59.867 7.305 7.121 3 H3 PHE 1 HT3 PHE 1 60.184 6.800 8.712 4 HA PHE 1 HA PHE 1 61.749 5.886 7.125 5 HB2 PHE 1 HB2 PHE 1 61.408 3.485 7.825 6 HB3 PHE 1 HB1 PHE 1 61.367 4.653 9.167 7 HD1 PHE 1 HD1 PHE 1 59.298 2.490 6.951 8 HD2 PHE 1 HD2 PHE 1 59.318 5.093 10.395 9 HE1 PHE 1 HE1 PHE 1 57.005 1.720 7.547 10 HE2 PHE 1 HE2 PHE 1 57.026 4.322 10.991 11 HZ PHE 1 HZ PHE 1 55.866 2.639 9.565 12 H LEU 2 HN LEU 2 58.832 6.380 5.869 13 HA LEU 2 HA LEU 2 58.448 4.091 4.145 14 HB2 LEU 2 HB2 LEU 2 57.493 6.973 4.108 15 HB3 LEU 2 HB1 LEU 2 57.104 5.859 2.778 16 HG LEU 2 HG LEU 2 55.994 4.324 4.313 17 HD11 LEU 2 HD11 LEU 2 55.712 5.123 6.760 18 HD12 LEU 2 HD12 LEU 2 57.082 6.213 6.437 19 HD13 LEU 2 HD13 LEU 2 57.295 4.449 6.310 20 HD21 LEU 2 HD21 LEU 2 54.672 6.224 3.447 21 HD22 LEU 2 HD22 LEU 2 55.186 7.222 4.827 22 HD23 LEU 2 HD23 LEU 2 54.149 5.800 5.094 23 H GLY 3 HN GLY 3 58.512 4.325 1.702 24 HA2 GLY 3 HA1 GLY 3 60.225 6.095 0.355 25 HA3 GLY 3 HA2 GLY 3 61.255 4.770 0.935 26 H ALA 4 HN ALA 4 58.098 5.291 -0.697 27 HA ALA 4 HA ALA 4 58.920 3.546 -2.906 28 HB1 ALA 4 HB1 ALA 4 58.239 1.921 -1.120 29 HB2 ALA 4 HB2 ALA 4 57.247 1.834 -2.595 30 HB3 ALA 4 HB3 ALA 4 56.617 2.649 -1.143 31 H LEU 5 HN LEU 5 55.814 4.443 -1.328 32 HA LEU 5 HA LEU 5 54.608 5.173 -3.852 33 HB2 LEU 5 HB2 LEU 5 53.686 6.162 -1.133 34 HB3 LEU 5 HB1 LEU 5 52.709 5.798 -2.574 35 HG LEU 5 HG LEU 5 54.195 3.797 -0.814 36 HD11 LEU 5 HD11 LEU 5 51.955 2.978 -0.292 37 HD12 LEU 5 HD12 LEU 5 51.229 4.126 -1.441 38 HD13 LEU 5 HD13 LEU 5 52.018 4.726 0.037 39 HD21 LEU 5 HD21 LEU 5 54.385 2.962 -3.058 40 HD22 LEU 5 HD22 LEU 5 52.736 3.487 -3.473 41 HD23 LEU 5 HD23 LEU 5 52.982 2.120 -2.359 42 H ILE 6 HN ILE 6 55.459 7.217 -1.016 43 HA ILE 6 HA ILE 6 55.857 9.532 -0.905 44 HB ILE 6 HB ILE 6 57.439 9.317 -3.513 45 HG12 ILE 6 HG12 ILE 6 58.171 7.932 -0.890 46 HG13 ILE 6 HG11 ILE 6 57.834 7.136 -2.446 47 HG21 ILE 6 HG21 ILE 6 58.923 10.814 -2.423 48 HG22 ILE 6 HG22 ILE 6 58.347 10.361 -0.801 49 HG23 ILE 6 HG23 ILE 6 57.320 11.348 -1.865 50 HD11 ILE 6 HD1 ILE 6 60.180 8.932 -1.728 51 HD12 ILE 6 HD2 ILE 6 59.755 8.555 -3.416 52 HD13 ILE 6 HD3 ILE 6 60.216 7.248 -2.299 53 H LYS 7 HN LYS 7 56.592 11.066 -3.489 54 HA LYS 7 HA LYS 7 55.320 12.691 -4.579 55 HB2 LYS 7 HB2 LYS 7 53.287 10.419 -4.910 56 HB3 LYS 7 HB1 LYS 7 53.249 11.973 -5.778 57 HG2 LYS 7 HG2 LYS 7 55.345 11.480 -6.898 58 HG3 LYS 7 HG1 LYS 7 55.586 10.024 -5.905 59 HD2 LYS 7 HD2 LYS 7 54.742 9.359 -8.103 60 HD3 LYS 7 HD1 LYS 7 53.490 9.053 -6.878 61 HE2 LYS 7 HE2 LYS 7 52.179 10.895 -7.580 62 HE3 LYS 7 HE1 LYS 7 53.545 11.677 -8.413 63 HZ1 LYS 7 HZ1 LYS 7 52.336 9.087 -9.241 64 HZ2 LYS 7 HZ2 LYS 7 53.517 9.978 -10.074 65 HZ3 LYS 7 HZ3 LYS 7 51.939 10.589 -9.923 66 H GLY 8 HN GLY 8 55.437 11.847 -2.011 67 HA2 GLY 8 HA1 GLY 8 54.582 11.771 0.035 68 HA3 GLY 8 HA2 GLY 8 54.167 13.492 -0.324 69 H ALA 9 HN ALA 9 53.068 10.188 -0.081 70 HA ALA 9 HA ALA 9 50.978 9.265 0.164 71 HB1 ALA 9 HB1 ALA 9 50.913 11.040 1.982 72 HB2 ALA 9 HB2 ALA 9 49.329 10.499 1.376 73 HB3 ALA 9 HB3 ALA 9 50.005 12.058 0.840 74 H ILE 10 HN ILE 10 51.668 9.777 -2.409 75 HA ILE 10 HA ILE 10 50.685 9.751 -4.484 76 HB ILE 10 HB ILE 10 48.442 9.240 -2.810 77 HG12 ILE 10 HG12 ILE 10 48.558 9.265 -5.861 78 HG13 ILE 10 HG11 ILE 10 49.171 7.960 -4.819 79 HG21 ILE 10 HG21 ILE 10 47.739 11.657 -3.168 80 HG22 ILE 10 HG22 ILE 10 46.564 10.447 -3.702 81 HG23 ILE 10 HG23 ILE 10 47.582 11.281 -4.898 82 HD11 ILE 10 HD1 ILE 10 47.027 7.169 -5.383 83 HD12 ILE 10 HD2 ILE 10 46.304 8.792 -5.345 84 HD13 ILE 10 HD3 ILE 10 46.718 7.964 -3.823 85 H HIS 11 HN HIS 11 49.725 12.367 -2.306 86 HA HIS 11 HA HIS 11 50.868 14.405 -3.967 87 HB2 HIS 11 HB2 HIS 11 48.928 13.967 -5.437 88 HB3 HIS 11 HB1 HIS 11 47.825 14.187 -4.059 89 HD1 HIS 11 HD1 HIS 11 47.361 16.579 -3.228 90 HD2 HIS 11 HD2 HIS 11 50.146 16.393 -6.376 91 HE1 HIS 11 HE1 HIS 11 47.735 18.968 -4.056 92 H GLY 12 HN GLY 12 49.415 13.109 -1.267 93 HA2 GLY 12 HA1 GLY 12 50.099 14.431 0.816 94 HA3 GLY 12 HA2 GLY 12 49.166 15.772 0.115 95 H GLY 13 HN GLY 13 48.061 12.537 -0.467 96 HA2 GLY 13 HA1 GLY 13 46.191 11.398 0.283 97 HA3 GLY 13 HA2 GLY 13 46.443 12.172 1.863 98 H ARG 14 HN ARG 14 45.169 12.759 -1.427 99 HA ARG 14 HA ARG 14 42.748 13.943 -0.295 100 HB2 ARG 14 HB2 ARG 14 44.214 15.879 -0.036 101 HB3 ARG 14 HB1 ARG 14 44.760 15.733 -1.719 102 HG2 ARG 14 HG2 ARG 14 43.033 17.520 -1.411 103 HG3 ARG 14 HG1 ARG 14 42.505 16.260 -2.544 104 HD2 ARG 14 HD2 ARG 14 40.981 15.330 -0.986 105 HD3 ARG 14 HD1 ARG 14 41.802 16.077 0.406 106 HE ARG 14 HE ARG 14 40.555 18.047 0.008 107 HH11 ARG 14 HH11 ARG 14 38.740 15.921 -1.442 108 HH12 ARG 14 HH12 ARG 14 38.313 16.830 -2.852 109 HH21 ARG 14 HH21 ARG 14 40.757 19.241 -2.364 110 HH22 ARG 14 HH22 ARG 14 39.455 18.709 -3.374 111 H PHE 15 HN PHE 15 44.828 13.092 -3.007 112 HA PHE 15 HA PHE 15 43.217 13.674 -5.207 113 HB2 PHE 15 HB2 PHE 15 45.491 12.488 -5.160 114 HB3 PHE 15 HB1 PHE 15 44.589 10.985 -4.856 115 HD1 PHE 15 HD1 PHE 15 45.602 13.429 -7.366 116 HD2 PHE 15 HD2 PHE 15 42.816 10.243 -6.520 117 HE1 PHE 15 HE1 PHE 15 45.111 13.213 -9.799 118 HE2 PHE 15 HE2 PHE 15 42.325 10.027 -8.953 119 HZ PHE 15 HZ PHE 15 43.431 11.549 -10.586 120 H ILE 16 HN ILE 16 43.020 10.759 -3.115 121 HA ILE 16 HA ILE 16 40.506 9.939 -4.448 122 HB ILE 16 HB ILE 16 41.796 8.713 -1.973 123 HG12 ILE 16 HG12 ILE 16 43.327 8.860 -4.074 124 HG13 ILE 16 HG11 ILE 16 43.100 7.268 -3.331 125 HG21 ILE 16 HG21 ILE 16 40.583 6.662 -2.888 126 HG22 ILE 16 HG22 ILE 16 39.750 7.758 -4.012 127 HG23 ILE 16 HG23 ILE 16 39.543 7.959 -2.254 128 HD11 ILE 16 HD1 ILE 16 42.938 7.324 -5.876 129 HD12 ILE 16 HD2 ILE 16 41.430 8.241 -5.691 130 HD13 ILE 16 HD3 ILE 16 41.548 6.588 -5.048 131 H HIS 17 HN HIS 17 41.247 10.068 -0.917 132 HA HIS 17 HA HIS 17 39.093 12.047 -0.508 133 HB2 HIS 17 HB2 HIS 17 38.764 9.141 0.326 134 HB3 HIS 17 HB1 HIS 17 37.829 10.474 1.040 135 HD1 HIS 17 HD1 HIS 17 36.821 12.166 -1.073 136 HD2 HIS 17 HD2 HIS 17 37.237 8.027 -1.679 137 HE1 HIS 17 HE1 HIS 17 35.350 11.536 -3.064 138 H GLY 18 HN GLY 18 42.045 11.035 0.114 139 HA2 GLY 18 HA1 GLY 18 43.526 11.355 1.857 140 HA3 GLY 18 HA2 GLY 18 42.363 12.538 2.500 141 H MET 19 HN MET 19 42.267 9.055 1.938 142 HA MET 19 HA MET 19 42.578 8.284 4.668 143 HB2 MET 19 HB2 MET 19 40.396 7.562 5.177 144 HB3 MET 19 HB1 MET 19 40.519 9.307 4.999 145 HG2 MET 19 HG2 MET 19 39.706 8.914 2.546 146 HG3 MET 19 HG1 MET 19 39.190 7.320 3.146 147 HE1 MET 19 HE1 MET 19 35.696 8.555 3.341 148 HE2 MET 19 HE2 MET 19 36.763 7.131 3.338 149 HE3 MET 19 HE3 MET 19 36.918 8.361 2.061 150 H ILE 20 HN ILE 20 41.383 7.726 1.407 151 HA ILE 20 HA ILE 20 41.721 4.795 1.659 152 HB ILE 20 HB ILE 20 41.412 6.755 -0.667 153 HG12 ILE 20 HG12 ILE 20 39.523 5.337 -1.247 154 HG13 ILE 20 HG11 ILE 20 40.037 4.091 -0.087 155 HG21 ILE 20 HG21 ILE 20 41.723 4.699 -2.198 156 HG22 ILE 20 HG22 ILE 20 42.510 3.916 -0.807 157 HG23 ILE 20 HG23 ILE 20 43.206 5.396 -1.505 158 HD11 ILE 20 HD1 ILE 20 38.118 5.693 0.630 159 HD12 ILE 20 HD2 ILE 20 39.397 6.916 0.825 160 HD13 ILE 20 HD3 ILE 20 39.443 5.418 1.786 161 H GLN 21 HN GLN 21 43.382 7.617 1.889 162 HA GLN 21 HA GLN 21 46.049 6.367 1.485 163 HB2 GLN 21 HB2 GLN 21 45.413 8.073 -0.302 164 HB3 GLN 21 HB1 GLN 21 45.367 9.290 0.995 165 HG2 GLN 21 HG2 GLN 21 47.567 9.394 0.006 166 HG3 GLN 21 HG1 GLN 21 47.748 8.600 1.586 167 HE21 GLN 21 HE21 GLN 21 46.848 7.526 -1.782 168 HE22 GLN 21 HE22 GLN 21 47.947 6.142 -1.770 169 H ASN 22 HN ASN 22 43.763 8.422 3.565 170 HA ASN 22 HA ASN 22 46.181 8.844 5.381 171 HB2 ASN 22 HB2 ASN 22 44.414 10.711 4.647 172 HB3 ASN 22 HB1 ASN 22 43.456 10.009 5.972 173 HD21 ASN 22 HD21 ASN 22 44.949 12.695 5.730 174 HD22 ASN 22 HD22 ASN 22 45.978 12.724 7.166 175 H HIS 23 HN HIS 23 43.898 6.549 4.817 176 HA HIS 23 HA HIS 23 42.929 4.894 6.128 177 HB2 HIS 23 HB2 HIS 23 45.349 4.507 6.609 178 HB3 HIS 23 HB1 HIS 23 45.208 5.571 8.030 179 HD1 HIS 23 HD1 HIS 23 43.416 2.469 6.607 180 HD2 HIS 23 HD2 HIS 23 44.563 4.141 10.293 181 HE1 HIS 23 HE1 HIS 23 42.721 0.827 8.439 182 H HIS 24 HN HIS 24 40.952 5.601 6.763 183 HA HIS 24 HA HIS 24 40.585 7.657 8.765 184 HB2 HIS 24 HB2 HIS 24 38.206 6.924 8.711 185 HB3 HIS 24 HB1 HIS 24 38.871 7.193 7.082 186 HD1 HIS 24 HD1 HIS 24 38.936 5.233 5.477 187 HD2 HIS 24 HD2 HIS 24 37.927 4.110 9.402 188 HE1 HIS 24 HE1 HIS 24 38.263 2.768 5.416 Start of MODEL 18 1 H1 PHE 1 HT1 PHE 1 59.177 0.387 -11.025 2 H2 PHE 1 HT2 PHE 1 58.792 -0.466 -9.606 3 H3 PHE 1 HT3 PHE 1 59.344 1.138 -9.515 4 HA PHE 1 HA PHE 1 57.289 1.539 -11.060 5 HB2 PHE 1 HB2 PHE 1 56.544 -0.850 -9.324 6 HB3 PHE 1 HB1 PHE 1 55.416 0.120 -10.300 7 HD1 PHE 1 HD1 PHE 1 58.227 -2.303 -10.408 8 HD2 PHE 1 HD2 PHE 1 55.374 -0.050 -12.735 9 HE1 PHE 1 HE1 PHE 1 58.764 -3.688 -12.408 10 HE2 PHE 1 HE2 PHE 1 55.913 -1.435 -14.735 11 HZ PHE 1 HZ PHE 1 57.656 -3.209 -14.588 12 H LEU 2 HN LEU 2 59.030 2.226 -8.673 13 HA LEU 2 HA LEU 2 57.209 2.732 -6.465 14 HB2 LEU 2 HB2 LEU 2 59.789 4.234 -7.022 15 HB3 LEU 2 HB1 LEU 2 59.031 3.876 -5.453 16 HG LEU 2 HG LEU 2 60.255 1.838 -7.367 17 HD11 LEU 2 HD11 LEU 2 61.892 3.251 -6.133 18 HD12 LEU 2 HD12 LEU 2 61.931 1.558 -5.583 19 HD13 LEU 2 HD13 LEU 2 61.111 2.794 -4.599 20 HD21 LEU 2 HD21 LEU 2 58.760 1.572 -4.725 21 HD22 LEU 2 HD22 LEU 2 59.877 0.315 -5.308 22 HD23 LEU 2 HD23 LEU 2 58.438 0.736 -6.264 23 H GLY 3 HN GLY 3 56.196 4.622 -5.834 24 HA2 GLY 3 HA1 GLY 3 56.468 7.165 -6.955 25 HA3 GLY 3 HA2 GLY 3 55.315 6.320 -8.007 26 H ALA 4 HN ALA 4 54.014 4.717 -6.095 27 HA ALA 4 HA ALA 4 52.167 6.692 -5.024 28 HB1 ALA 4 HB1 ALA 4 52.335 3.707 -4.486 29 HB2 ALA 4 HB2 ALA 4 51.482 4.452 -5.860 30 HB3 ALA 4 HB3 ALA 4 50.934 4.765 -4.195 31 H LEU 5 HN LEU 5 54.888 4.850 -3.784 32 HA LEU 5 HA LEU 5 54.253 5.179 -0.981 33 HB2 LEU 5 HB2 LEU 5 56.781 4.542 -2.538 34 HB3 LEU 5 HB1 LEU 5 56.822 4.763 -0.773 35 HG LEU 5 HG LEU 5 55.212 2.961 -0.453 36 HD11 LEU 5 HD11 LEU 5 54.540 1.603 -2.550 37 HD12 LEU 5 HD12 LEU 5 55.056 3.023 -3.492 38 HD13 LEU 5 HD13 LEU 5 53.729 3.167 -2.313 39 HD21 LEU 5 HD21 LEU 5 57.354 2.155 -2.473 40 HD22 LEU 5 HD22 LEU 5 56.542 1.068 -1.322 41 HD23 LEU 5 HD23 LEU 5 57.612 2.359 -0.725 42 H ILE 6 HN ILE 6 55.759 7.198 -3.427 43 HA ILE 6 HA ILE 6 56.165 9.354 -1.313 44 HB ILE 6 HB ILE 6 57.811 9.396 -3.888 45 HG12 ILE 6 HG12 ILE 6 58.055 7.033 -3.040 46 HG13 ILE 6 HG11 ILE 6 59.558 7.969 -3.014 47 HG21 ILE 6 HG21 ILE 6 58.315 10.190 -0.980 48 HG22 ILE 6 HG22 ILE 6 58.005 11.273 -2.353 49 HG23 ILE 6 HG23 ILE 6 59.515 10.337 -2.284 50 HD11 ILE 6 HD1 ILE 6 58.943 6.542 -0.906 51 HD12 ILE 6 HD2 ILE 6 57.799 7.853 -0.545 52 HD13 ILE 6 HD3 ILE 6 59.538 8.199 -0.664 53 H LYS 7 HN LYS 7 56.977 11.077 -3.773 54 HA LYS 7 HA LYS 7 55.744 12.805 -4.743 55 HB2 LYS 7 HB2 LYS 7 53.600 10.670 -5.227 56 HB3 LYS 7 HB1 LYS 7 53.727 12.236 -6.057 57 HG2 LYS 7 HG2 LYS 7 56.033 10.254 -6.162 58 HG3 LYS 7 HG1 LYS 7 54.644 10.060 -7.252 59 HD2 LYS 7 HD2 LYS 7 55.878 12.819 -7.091 60 HD3 LYS 7 HD1 LYS 7 56.814 11.560 -7.923 61 HE2 LYS 7 HE2 LYS 7 55.325 12.849 -9.470 62 HE3 LYS 7 HE1 LYS 7 54.951 11.110 -9.443 63 HZ1 LYS 7 HZ1 LYS 7 52.966 12.538 -9.308 64 HZ2 LYS 7 HZ2 LYS 7 53.529 13.176 -7.837 65 HZ3 LYS 7 HZ3 LYS 7 53.130 11.529 -7.956 66 H GLY 8 HN GLY 8 55.822 11.768 -2.245 67 HA2 GLY 8 HA1 GLY 8 54.933 11.547 -0.218 68 HA3 GLY 8 HA2 GLY 8 54.574 13.303 -0.446 69 H ALA 9 HN ALA 9 53.370 10.089 -0.220 70 HA ALA 9 HA ALA 9 51.262 9.156 -0.345 71 HB1 ALA 9 HB1 ALA 9 49.653 10.234 1.149 72 HB2 ALA 9 HB2 ALA 9 50.592 11.745 1.098 73 HB3 ALA 9 HB3 ALA 9 51.285 10.292 1.856 74 H ILE 10 HN ILE 10 51.859 10.252 -2.747 75 HA ILE 10 HA ILE 10 51.019 11.395 -4.599 76 HB ILE 10 HB ILE 10 48.457 10.607 -4.974 77 HG12 ILE 10 HG12 ILE 10 49.488 8.727 -2.791 78 HG13 ILE 10 HG11 ILE 10 48.164 9.894 -2.600 79 HG21 ILE 10 HG21 ILE 10 50.525 9.779 -6.180 80 HG22 ILE 10 HG22 ILE 10 49.288 8.532 -5.929 81 HG23 ILE 10 HG23 ILE 10 50.730 8.573 -4.888 82 HD11 ILE 10 HD1 ILE 10 46.987 7.919 -3.080 83 HD12 ILE 10 HD2 ILE 10 48.225 7.337 -4.215 84 HD13 ILE 10 HD3 ILE 10 47.125 8.652 -4.696 85 H HIS 11 HN HIS 11 47.770 11.443 -3.298 86 HA HIS 11 HA HIS 11 47.374 14.163 -3.893 87 HB2 HIS 11 HB2 HIS 11 45.384 14.017 -2.452 88 HB3 HIS 11 HB1 HIS 11 45.541 12.578 -3.487 89 HD1 HIS 11 HD1 HIS 11 47.193 13.458 -0.121 90 HD2 HIS 11 HD2 HIS 11 44.774 10.485 -1.851 91 HE1 HIS 11 HE1 HIS 11 46.881 11.618 1.624 92 H GLY 12 HN GLY 12 49.473 12.942 -1.531 93 HA2 GLY 12 HA1 GLY 12 48.937 14.807 0.603 94 HA3 GLY 12 HA2 GLY 12 50.475 13.976 0.303 95 H GLY 13 HN GLY 13 49.709 15.349 -2.537 96 HA2 GLY 13 HA1 GLY 13 50.331 18.129 -2.084 97 HA3 GLY 13 HA2 GLY 13 51.772 17.227 -2.601 98 H ARG 14 HN ARG 14 49.691 15.356 -4.005 99 HA ARG 14 HA ARG 14 49.845 16.799 -6.581 100 HB2 ARG 14 HB2 ARG 14 50.429 14.421 -6.501 101 HB3 ARG 14 HB1 ARG 14 48.836 14.024 -5.823 102 HG2 ARG 14 HG2 ARG 14 48.979 13.563 -8.277 103 HG3 ARG 14 HG1 ARG 14 47.726 14.759 -7.890 104 HD2 ARG 14 HD2 ARG 14 48.992 16.550 -8.768 105 HD3 ARG 14 HD1 ARG 14 50.532 15.668 -8.611 106 HE ARG 14 HE ARG 14 48.836 14.272 -10.452 107 HH11 ARG 14 HH11 ARG 14 49.868 14.212 -12.511 108 HH12 ARG 14 HH12 ARG 14 50.541 15.683 -13.131 109 HH21 ARG 14 HH21 ARG 14 50.044 17.460 -10.195 110 HH22 ARG 14 HH22 ARG 14 50.640 17.522 -11.821 111 H PHE 15 HN PHE 15 47.550 16.195 -4.042 112 HA PHE 15 HA PHE 15 45.075 16.114 -5.233 113 HB2 PHE 15 HB2 PHE 15 45.650 16.357 -2.749 114 HB3 PHE 15 HB1 PHE 15 45.692 18.113 -3.028 115 HD1 PHE 15 HD1 PHE 15 43.514 15.086 -3.559 116 HD2 PHE 15 HD2 PHE 15 43.667 19.357 -2.948 117 HE1 PHE 15 HE1 PHE 15 41.030 15.153 -3.390 118 HE2 PHE 15 HE2 PHE 15 41.183 19.422 -2.778 119 HZ PHE 15 HZ PHE 15 39.873 17.308 -2.919 120 H ILE 16 HN ILE 16 47.369 18.753 -5.427 121 HA ILE 16 HA ILE 16 45.460 20.192 -7.243 122 HB ILE 16 HB ILE 16 47.208 21.696 -5.245 123 HG12 ILE 16 HG12 ILE 16 44.254 20.955 -5.015 124 HG13 ILE 16 HG11 ILE 16 45.566 20.321 -3.995 125 HG21 ILE 16 HG21 ILE 16 45.899 23.595 -5.920 126 HG22 ILE 16 HG22 ILE 16 44.710 22.568 -6.754 127 HG23 ILE 16 HG23 ILE 16 46.349 22.757 -7.421 128 HD11 ILE 16 HD1 ILE 16 44.453 23.143 -4.110 129 HD12 ILE 16 HD2 ILE 16 46.077 22.823 -3.452 130 HD13 ILE 16 HD3 ILE 16 44.647 22.081 -2.698 131 H HIS 17 HN HIS 17 48.727 20.982 -5.929 132 HA HIS 17 HA HIS 17 50.059 20.116 -8.367 133 HB2 HIS 17 HB2 HIS 17 48.921 22.189 -9.189 134 HB3 HIS 17 HB1 HIS 17 49.771 23.117 -7.929 135 HD1 HIS 17 HD1 HIS 17 51.573 20.260 -9.571 136 HD2 HIS 17 HD2 HIS 17 51.312 24.438 -9.988 137 HE1 HIS 17 HE1 HIS 17 53.509 20.996 -11.067 138 H GLY 18 HN GLY 18 50.927 19.126 -6.281 139 HA2 GLY 18 HA1 GLY 18 52.718 18.973 -4.822 140 HA3 GLY 18 HA2 GLY 18 53.464 20.313 -5.702 141 H MET 19 HN MET 19 50.557 19.912 -3.724 142 HA MET 19 HA MET 19 49.779 21.436 -2.222 143 HB2 MET 19 HB2 MET 19 51.731 19.875 -1.165 144 HB3 MET 19 HB1 MET 19 52.206 21.496 -0.630 145 HG2 MET 19 HG2 MET 19 49.584 20.048 -0.078 146 HG3 MET 19 HG1 MET 19 50.807 20.574 1.101 147 HE1 MET 19 HE1 MET 19 47.352 21.348 0.615 148 HE2 MET 19 HE2 MET 19 47.583 22.695 1.755 149 HE3 MET 19 HE3 MET 19 48.403 21.140 2.036 150 H ILE 20 HN ILE 20 51.111 22.717 -4.442 151 HA ILE 20 HA ILE 20 51.726 24.892 -4.970 152 HB ILE 20 HB ILE 20 50.266 25.503 -2.344 153 HG12 ILE 20 HG12 ILE 20 48.584 26.471 -3.916 154 HG13 ILE 20 HG11 ILE 20 49.584 25.937 -5.287 155 HG21 ILE 20 HG21 ILE 20 51.638 27.351 -4.331 156 HG22 ILE 20 HG22 ILE 20 51.847 27.284 -2.565 157 HG23 ILE 20 HG23 ILE 20 50.335 27.911 -3.257 158 HD11 ILE 20 HD1 ILE 20 49.150 23.651 -4.881 159 HD12 ILE 20 HD2 ILE 20 47.592 24.412 -4.489 160 HD13 ILE 20 HD3 ILE 20 48.698 23.934 -3.181 161 H GLN 21 HN GLN 21 52.660 23.092 -2.285 162 HA GLN 21 HA GLN 21 54.970 24.974 -1.625 163 HB2 GLN 21 HB2 GLN 21 53.447 23.865 0.192 164 HB3 GLN 21 HB1 GLN 21 54.328 22.369 -0.191 165 HG2 GLN 21 HG2 GLN 21 56.485 23.560 0.245 166 HG3 GLN 21 HG1 GLN 21 55.562 25.006 0.720 167 HE21 GLN 21 HE21 GLN 21 57.316 23.672 2.569 168 HE22 GLN 21 HE22 GLN 21 56.313 22.945 3.830 169 H ASN 22 HN ASN 22 54.201 21.552 -2.396 170 HA ASN 22 HA ASN 22 56.993 20.940 -3.005 171 HB2 ASN 22 HB2 ASN 22 54.311 19.545 -3.162 172 HB3 ASN 22 HB1 ASN 22 55.638 18.908 -4.167 173 HD21 ASN 22 HD21 ASN 22 54.171 18.412 -1.236 174 HD22 ASN 22 HD22 ASN 22 55.561 17.838 -0.309 175 H HIS 23 HN HIS 23 54.139 22.278 -4.545 176 HA HIS 23 HA HIS 23 53.839 23.123 -6.691 177 HB2 HIS 23 HB2 HIS 23 55.890 24.408 -6.106 178 HB3 HIS 23 HB1 HIS 23 56.879 23.121 -6.837 179 HD1 HIS 23 HD1 HIS 23 55.751 22.459 -9.435 180 HD2 HIS 23 HD2 HIS 23 55.617 26.402 -7.980 181 HE1 HIS 23 HE1 HIS 23 55.388 24.000 -11.442 182 H HIS 24 HN HIS 24 56.884 21.394 -7.413 183 HA HIS 24 HA HIS 24 55.803 20.209 -9.793 184 HB2 HIS 24 HB2 HIS 24 57.865 18.775 -9.693 185 HB3 HIS 24 HB1 HIS 24 58.196 20.519 -9.544 186 HD1 HIS 24 HD1 HIS 24 59.497 21.259 -7.535 187 HD2 HIS 24 HD2 HIS 24 57.729 17.487 -6.974 188 HE1 HIS 24 HE1 HIS 24 60.345 20.346 -5.304 Start of MODEL 19 1 H1 PHE 1 HT1 PHE 1 54.456 0.139 -8.192 2 H2 PHE 1 HT2 PHE 1 54.454 -1.021 -6.951 3 H3 PHE 1 HT3 PHE 1 53.778 -1.389 -8.466 4 HA PHE 1 HA PHE 1 55.992 -2.368 -8.033 5 HB2 PHE 1 HB2 PHE 1 55.708 -0.440 -10.374 6 HB3 PHE 1 HB1 PHE 1 56.819 -1.829 -10.292 7 HD1 PHE 1 HD1 PHE 1 53.265 -0.780 -10.521 8 HD2 PHE 1 HD2 PHE 1 55.998 -4.121 -10.472 9 HE1 PHE 1 HE1 PHE 1 51.443 -2.282 -11.317 10 HE2 PHE 1 HE2 PHE 1 54.175 -5.623 -11.267 11 HZ PHE 1 HZ PHE 1 51.925 -4.682 -11.779 12 H LEU 2 HN LEU 2 55.614 1.047 -7.642 13 HA LEU 2 HA LEU 2 58.422 1.755 -7.794 14 HB2 LEU 2 HB2 LEU 2 56.305 3.210 -6.175 15 HB3 LEU 2 HB1 LEU 2 57.754 3.880 -6.964 16 HG LEU 2 HG LEU 2 55.317 2.698 -8.369 17 HD11 LEU 2 HD11 LEU 2 54.944 4.940 -7.400 18 HD12 LEU 2 HD12 LEU 2 55.021 5.030 -9.176 19 HD13 LEU 2 HD13 LEU 2 56.418 5.538 -8.196 20 HD21 LEU 2 HD21 LEU 2 56.555 3.696 -10.421 21 HD22 LEU 2 HD22 LEU 2 57.195 2.179 -9.753 22 HD23 LEU 2 HD23 LEU 2 58.001 3.723 -9.383 23 H GLY 3 HN GLY 3 59.704 2.557 -5.958 24 HA2 GLY 3 HA1 GLY 3 60.157 0.566 -4.039 25 HA3 GLY 3 HA2 GLY 3 60.678 2.255 -3.883 26 H ALA 4 HN ALA 4 58.301 3.613 -3.668 27 HA ALA 4 HA ALA 4 56.587 2.344 -1.660 28 HB1 ALA 4 HB1 ALA 4 57.150 3.900 0.167 29 HB2 ALA 4 HB2 ALA 4 58.478 4.569 -0.813 30 HB3 ALA 4 HB3 ALA 4 58.538 2.875 -0.267 31 H LEU 5 HN LEU 5 55.125 4.122 -0.633 32 HA LEU 5 HA LEU 5 53.958 5.574 -2.895 33 HB2 LEU 5 HB2 LEU 5 53.258 5.250 0.042 34 HB3 LEU 5 HB1 LEU 5 52.363 6.376 -1.006 35 HG LEU 5 HG LEU 5 51.855 4.503 -2.565 36 HD11 LEU 5 HD11 LEU 5 52.260 2.138 -1.546 37 HD12 LEU 5 HD12 LEU 5 53.475 2.938 -0.519 38 HD13 LEU 5 HD13 LEU 5 53.647 2.965 -2.291 39 HD21 LEU 5 HD21 LEU 5 50.220 3.386 -1.110 40 HD22 LEU 5 HD22 LEU 5 50.321 5.111 -0.681 41 HD23 LEU 5 HD23 LEU 5 51.125 3.892 0.337 42 H ILE 6 HN ILE 6 56.202 6.754 -3.048 43 HA ILE 6 HA ILE 6 56.498 9.005 -1.123 44 HB ILE 6 HB ILE 6 58.360 9.708 -2.605 45 HG12 ILE 6 HG12 ILE 6 57.364 7.466 -4.430 46 HG13 ILE 6 HG11 ILE 6 57.344 9.205 -4.796 47 HG21 ILE 6 HG21 ILE 6 58.573 7.741 -0.964 48 HG22 ILE 6 HG22 ILE 6 59.804 7.835 -2.243 49 HG23 ILE 6 HG23 ILE 6 58.461 6.675 -2.383 50 HD11 ILE 6 HD1 ILE 6 59.919 9.115 -4.400 51 HD12 ILE 6 HD2 ILE 6 59.285 8.415 -5.906 52 HD13 ILE 6 HD3 ILE 6 59.736 7.351 -4.553 53 H LYS 7 HN LYS 7 57.293 10.931 -3.279 54 HA LYS 7 HA LYS 7 56.170 12.827 -4.034 55 HB2 LYS 7 HB2 LYS 7 55.233 11.118 -5.774 56 HB3 LYS 7 HB1 LYS 7 53.798 11.029 -4.725 57 HG2 LYS 7 HG2 LYS 7 53.456 13.458 -4.947 58 HG3 LYS 7 HG1 LYS 7 54.925 13.588 -5.945 59 HD2 LYS 7 HD2 LYS 7 53.870 11.962 -7.572 60 HD3 LYS 7 HD1 LYS 7 52.368 12.074 -6.622 61 HE2 LYS 7 HE2 LYS 7 52.250 14.491 -7.023 62 HE3 LYS 7 HE1 LYS 7 53.810 14.450 -7.881 63 HZ1 LYS 7 HZ1 LYS 7 52.682 12.752 -9.384 64 HZ2 LYS 7 HZ2 LYS 7 52.204 14.373 -9.552 65 HZ3 LYS 7 HZ3 LYS 7 51.217 13.276 -8.708 66 H GLY 8 HN GLY 8 56.201 11.460 -1.699 67 HA2 GLY 8 HA1 GLY 8 55.348 11.048 0.305 68 HA3 GLY 8 HA2 GLY 8 55.076 12.833 0.308 69 H ALA 9 HN ALA 9 53.673 9.730 -0.661 70 HA ALA 9 HA ALA 9 51.542 8.900 -0.467 71 HB1 ALA 9 HB1 ALA 9 50.001 9.808 1.058 72 HB2 ALA 9 HB2 ALA 9 50.558 11.476 0.795 73 HB3 ALA 9 HB3 ALA 9 51.564 10.335 1.717 74 H ILE 10 HN ILE 10 51.870 9.214 -2.797 75 HA ILE 10 HA ILE 10 51.385 10.187 -4.857 76 HB ILE 10 HB ILE 10 48.881 10.261 -5.319 77 HG12 ILE 10 HG12 ILE 10 48.372 10.744 -2.786 78 HG13 ILE 10 HG11 ILE 10 47.280 9.702 -3.697 79 HG21 ILE 10 HG21 ILE 10 50.369 7.839 -4.275 80 HG22 ILE 10 HG22 ILE 10 49.905 8.257 -5.936 81 HG23 ILE 10 HG23 ILE 10 48.674 7.680 -4.791 82 HD11 ILE 10 HD1 ILE 10 49.552 8.385 -2.196 83 HD12 ILE 10 HD2 ILE 10 47.933 7.766 -2.564 84 HD13 ILE 10 HD3 ILE 10 48.153 8.972 -1.278 85 H HIS 11 HN HIS 11 48.480 11.788 -4.444 86 HA HIS 11 HA HIS 11 49.837 14.380 -4.810 87 HB2 HIS 11 HB2 HIS 11 47.772 13.736 -6.070 88 HB3 HIS 11 HB1 HIS 11 46.872 13.756 -4.536 89 HD1 HIS 11 HD1 HIS 11 49.550 16.303 -4.737 90 HD2 HIS 11 HD2 HIS 11 45.490 16.063 -5.804 91 HE1 HIS 11 HE1 HIS 11 48.705 18.693 -5.062 92 H GLY 12 HN GLY 12 50.388 13.136 -2.283 93 HA2 GLY 12 HA1 GLY 12 50.491 13.772 -0.062 94 HA3 GLY 12 HA2 GLY 12 49.843 15.352 -0.548 95 H GLY 13 HN GLY 13 48.269 12.211 -1.035 96 HA2 GLY 13 HA1 GLY 13 46.347 11.319 -0.087 97 HA3 GLY 13 HA2 GLY 13 46.571 12.411 1.297 98 H ARG 14 HN ARG 14 45.782 12.633 -2.194 99 HA ARG 14 HA ARG 14 43.219 13.911 -1.554 100 HB2 ARG 14 HB2 ARG 14 45.305 15.665 -1.605 101 HB3 ARG 14 HB1 ARG 14 44.934 15.632 -3.342 102 HG2 ARG 14 HG2 ARG 14 42.984 16.277 -1.078 103 HG3 ARG 14 HG1 ARG 14 43.666 17.431 -2.246 104 HD2 ARG 14 HD2 ARG 14 42.607 15.887 -4.069 105 HD3 ARG 14 HD1 ARG 14 41.648 15.215 -2.727 106 HE ARG 14 HE ARG 14 40.370 17.187 -2.782 107 HH11 ARG 14 HH11 ARG 14 40.955 19.529 -2.235 108 HH12 ARG 14 HH12 ARG 14 41.741 20.363 -3.533 109 HH21 ARG 14 HH21 ARG 14 42.480 17.472 -5.298 110 HH22 ARG 14 HH22 ARG 14 42.604 19.199 -5.268 111 H PHE 15 HN PHE 15 45.633 12.629 -3.751 112 HA PHE 15 HA PHE 15 44.388 12.879 -6.244 113 HB2 PHE 15 HB2 PHE 15 46.587 11.692 -5.684 114 HB3 PHE 15 HB1 PHE 15 45.604 10.272 -5.256 115 HD1 PHE 15 HD1 PHE 15 44.067 9.250 -6.994 116 HD2 PHE 15 HD2 PHE 15 47.008 12.251 -7.983 117 HE1 PHE 15 HE1 PHE 15 43.899 8.621 -9.398 118 HE2 PHE 15 HE2 PHE 15 46.841 11.620 -10.388 119 HZ PHE 15 HZ PHE 15 45.213 9.876 -11.104 120 H ILE 16 HN ILE 16 43.714 10.503 -3.658 121 HA ILE 16 HA ILE 16 41.421 9.415 -5.203 122 HB ILE 16 HB ILE 16 42.271 8.688 -2.365 123 HG12 ILE 16 HG12 ILE 16 43.195 7.572 -5.051 124 HG13 ILE 16 HG11 ILE 16 44.204 8.417 -3.854 125 HG21 ILE 16 HG21 ILE 16 40.853 7.052 -4.508 126 HG22 ILE 16 HG22 ILE 16 39.982 8.010 -3.287 127 HG23 ILE 16 HG23 ILE 16 41.029 6.664 -2.781 128 HD11 ILE 16 HD1 ILE 16 43.427 6.535 -2.201 129 HD12 ILE 16 HD2 ILE 16 44.654 6.132 -3.426 130 HD13 ILE 16 HD3 ILE 16 42.960 5.654 -3.676 131 H HIS 17 HN HIS 17 41.498 10.097 -1.666 132 HA HIS 17 HA HIS 17 39.735 12.381 -1.825 133 HB2 HIS 17 HB2 HIS 17 38.502 9.628 -1.454 134 HB3 HIS 17 HB1 HIS 17 37.790 11.032 -0.631 135 HD1 HIS 17 HD1 HIS 17 38.178 13.190 -2.829 136 HD2 HIS 17 HD2 HIS 17 36.792 9.297 -3.608 137 HE1 HIS 17 HE1 HIS 17 36.834 13.280 -5.000 138 H GLY 18 HN GLY 18 41.879 12.540 -0.524 139 HA2 GLY 18 HA1 GLY 18 42.850 12.767 1.572 140 HA3 GLY 18 HA2 GLY 18 41.217 12.687 2.242 141 H MET 19 HN MET 19 43.275 10.441 0.446 142 HA MET 19 HA MET 19 43.545 8.221 0.927 143 HB2 MET 19 HB2 MET 19 44.190 9.394 3.566 144 HB3 MET 19 HB1 MET 19 44.607 7.725 3.113 145 HG2 MET 19 HG2 MET 19 45.821 8.779 1.074 146 HG3 MET 19 HG1 MET 19 45.661 10.322 1.946 147 HE1 MET 19 HE1 MET 19 47.862 10.146 4.943 148 HE2 MET 19 HE2 MET 19 46.088 10.084 4.814 149 HE3 MET 19 HE3 MET 19 47.024 11.125 3.716 150 H ILE 20 HN ILE 20 40.828 9.321 1.475 151 HA ILE 20 HA ILE 20 38.868 8.453 2.378 152 HB ILE 20 HB ILE 20 40.501 5.885 2.086 153 HG12 ILE 20 HG12 ILE 20 38.695 5.340 0.484 154 HG13 ILE 20 HG11 ILE 20 37.867 6.861 0.894 155 HG21 ILE 20 HG21 ILE 20 37.795 6.219 3.444 156 HG22 ILE 20 HG22 ILE 20 39.244 5.403 4.080 157 HG23 ILE 20 HG23 ILE 20 38.332 4.675 2.738 158 HD11 ILE 20 HD1 ILE 20 40.716 6.749 -0.173 159 HD12 ILE 20 HD2 ILE 20 39.672 8.180 -0.004 160 HD13 ILE 20 HD3 ILE 20 39.287 6.937 -1.216 161 H GLN 21 HN GLN 21 41.912 8.557 3.799 162 HA GLN 21 HA GLN 21 40.810 7.993 6.584 163 HB2 GLN 21 HB2 GLN 21 43.638 8.143 5.470 164 HB3 GLN 21 HB1 GLN 21 43.283 8.115 7.211 165 HG2 GLN 21 HG2 GLN 21 42.028 5.979 6.896 166 HG3 GLN 21 HG1 GLN 21 42.470 5.995 5.173 167 HE21 GLN 21 HE21 GLN 21 44.967 7.383 7.082 168 HE22 GLN 21 HE22 GLN 21 45.998 5.951 7.184 169 H ASN 22 HN ASN 22 42.651 10.370 4.592 170 HA ASN 22 HA ASN 22 42.464 12.396 6.717 171 HB2 ASN 22 HB2 ASN 22 43.501 12.270 3.863 172 HB3 ASN 22 HB1 ASN 22 43.225 13.853 4.631 173 HD21 ASN 22 HD21 ASN 22 45.627 14.171 4.514 174 HD22 ASN 22 HD22 ASN 22 46.645 13.393 5.732 175 H HIS 23 HN HIS 23 40.777 11.186 3.875 176 HA HIS 23 HA HIS 23 38.833 11.977 2.818 177 HB2 HIS 23 HB2 HIS 23 36.937 12.255 4.349 178 HB3 HIS 23 HB1 HIS 23 37.969 10.902 4.866 179 HD1 HIS 23 HD1 HIS 23 39.319 11.149 7.053 180 HD2 HIS 23 HD2 HIS 23 37.142 14.596 6.026 181 HE1 HIS 23 HE1 HIS 23 39.325 12.689 9.093 182 H HIS 24 HN HIS 24 40.947 14.067 3.418 183 HA HIS 24 HA HIS 24 41.159 16.371 3.232 184 HB2 HIS 24 HB2 HIS 24 39.930 15.861 1.112 185 HB3 HIS 24 HB1 HIS 24 38.400 16.191 1.959 186 HD1 HIS 24 HD1 HIS 24 41.110 18.345 3.183 187 HD2 HIS 24 HD2 HIS 24 38.372 18.461 -0.008 188 HE1 HIS 24 HE1 HIS 24 41.021 20.757 2.344 Start of MODEL 20 1 H1 PHE 1 HT1 PHE 1 57.724 8.090 7.506 2 H2 PHE 1 HT2 PHE 1 58.936 8.654 8.555 3 H3 PHE 1 HT3 PHE 1 58.395 7.046 8.661 4 HA PHE 1 HA PHE 1 60.440 8.141 7.092 5 HB2 PHE 1 HB2 PHE 1 60.948 5.767 6.724 6 HB3 PHE 1 HB1 PHE 1 60.539 6.053 8.433 7 HD1 PHE 1 HD1 PHE 1 58.374 5.309 9.360 8 HD2 PHE 1 HD2 PHE 1 59.444 4.524 5.252 9 HE1 PHE 1 HE1 PHE 1 56.530 3.640 9.198 10 HE2 PHE 1 HE2 PHE 1 57.600 2.855 5.091 11 HZ PHE 1 HZ PHE 1 56.178 2.376 7.079 12 H LEU 2 HN LEU 2 60.792 8.147 4.908 13 HA LEU 2 HA LEU 2 58.430 8.321 3.227 14 HB2 LEU 2 HB2 LEU 2 61.423 8.407 2.719 15 HB3 LEU 2 HB1 LEU 2 60.256 8.447 1.378 16 HG LEU 2 HG LEU 2 59.199 10.455 2.298 17 HD11 LEU 2 HD11 LEU 2 59.364 10.203 4.658 18 HD12 LEU 2 HD12 LEU 2 60.436 11.573 4.294 19 HD13 LEU 2 HD13 LEU 2 61.127 9.962 4.602 20 HD21 LEU 2 HD21 LEU 2 61.016 12.019 1.915 21 HD22 LEU 2 HD22 LEU 2 61.283 10.612 0.859 22 HD23 LEU 2 HD23 LEU 2 62.230 10.795 2.355 23 H GLY 3 HN GLY 3 57.422 6.795 2.086 24 HA2 GLY 3 HA1 GLY 3 58.717 4.591 0.833 25 HA3 GLY 3 HA2 GLY 3 58.075 4.040 2.392 26 H ALA 4 HN ALA 4 56.013 6.397 1.803 27 HA ALA 4 HA ALA 4 53.971 4.566 0.765 28 HB1 ALA 4 HB1 ALA 4 53.499 6.231 2.537 29 HB2 ALA 4 HB2 ALA 4 52.450 6.447 1.115 30 HB3 ALA 4 HB3 ALA 4 53.830 7.539 1.377 31 H LEU 5 HN LEU 5 55.730 4.545 -1.208 32 HA LEU 5 HA LEU 5 56.045 5.016 -3.460 33 HB2 LEU 5 HB2 LEU 5 53.086 5.578 -3.069 34 HB3 LEU 5 HB1 LEU 5 53.850 5.762 -4.665 35 HG LEU 5 HG LEU 5 54.555 3.434 -4.668 36 HD11 LEU 5 HD11 LEU 5 55.148 3.011 -2.390 37 HD12 LEU 5 HD12 LEU 5 53.757 1.951 -2.710 38 HD13 LEU 5 HD13 LEU 5 53.532 3.466 -1.801 39 HD21 LEU 5 HD21 LEU 5 52.175 4.022 -5.295 40 HD22 LEU 5 HD22 LEU 5 51.685 3.570 -3.644 41 HD23 LEU 5 HD23 LEU 5 52.379 2.345 -4.733 42 H ILE 6 HN ILE 6 56.172 7.230 -1.284 43 HA ILE 6 HA ILE 6 56.287 9.600 -1.182 44 HB ILE 6 HB ILE 6 58.065 10.456 -2.681 45 HG12 ILE 6 HG12 ILE 6 57.939 7.745 -4.093 46 HG13 ILE 6 HG11 ILE 6 57.270 9.244 -4.771 47 HG21 ILE 6 HG21 ILE 6 58.753 7.601 -1.885 48 HG22 ILE 6 HG22 ILE 6 58.532 8.910 -0.699 49 HG23 ILE 6 HG23 ILE 6 59.826 9.021 -1.913 50 HD11 ILE 6 HD1 ILE 6 59.434 9.071 -5.732 51 HD12 ILE 6 HD2 ILE 6 60.171 8.558 -4.198 52 HD13 ILE 6 HD3 ILE 6 59.641 10.245 -4.413 53 H LYS 7 HN LYS 7 56.897 11.215 -3.728 54 HA LYS 7 HA LYS 7 55.517 12.766 -4.787 55 HB2 LYS 7 HB2 LYS 7 53.916 10.209 -5.245 56 HB3 LYS 7 HB1 LYS 7 53.269 11.790 -5.741 57 HG2 LYS 7 HG2 LYS 7 55.138 12.179 -7.223 58 HG3 LYS 7 HG1 LYS 7 56.009 10.764 -6.587 59 HD2 LYS 7 HD2 LYS 7 54.948 10.254 -8.771 60 HD3 LYS 7 HD1 LYS 7 54.247 9.268 -7.468 61 HE2 LYS 7 HE2 LYS 7 52.236 10.514 -7.436 62 HE3 LYS 7 HE1 LYS 7 52.977 11.916 -8.247 63 HZ1 LYS 7 HZ1 LYS 7 53.304 10.344 -10.197 64 HZ2 LYS 7 HZ2 LYS 7 51.716 10.855 -9.881 65 HZ3 LYS 7 HZ3 LYS 7 52.219 9.300 -9.416 66 H GLY 8 HN GLY 8 55.712 11.890 -2.236 67 HA2 GLY 8 HA1 GLY 8 54.879 11.731 -0.182 68 HA3 GLY 8 HA2 GLY 8 54.349 13.425 -0.516 69 H ALA 9 HN ALA 9 53.470 10.055 -0.295 70 HA ALA 9 HA ALA 9 51.440 8.986 -0.113 71 HB1 ALA 9 HB1 ALA 9 51.234 10.492 1.840 72 HB2 ALA 9 HB2 ALA 9 49.654 10.170 1.083 73 HB3 ALA 9 HB3 ALA 9 50.477 11.722 0.801 74 H ILE 10 HN ILE 10 52.088 9.765 -2.663 75 HA ILE 10 HA ILE 10 51.095 9.836 -4.732 76 HB ILE 10 HB ILE 10 48.926 8.955 -3.088 77 HG12 ILE 10 HG12 ILE 10 47.899 8.329 -5.402 78 HG13 ILE 10 HG11 ILE 10 49.352 9.079 -6.101 79 HG21 ILE 10 HG21 ILE 10 47.897 11.072 -5.027 80 HG22 ILE 10 HG22 ILE 10 47.952 11.269 -3.259 81 HG23 ILE 10 HG23 ILE 10 46.926 10.010 -3.982 82 HD11 ILE 10 HD1 ILE 10 50.790 7.528 -4.829 83 HD12 ILE 10 HD2 ILE 10 49.604 6.613 -5.785 84 HD13 ILE 10 HD3 ILE 10 49.360 6.829 -4.036 85 H HIS 11 HN HIS 11 49.958 12.150 -2.307 86 HA HIS 11 HA HIS 11 50.783 14.388 -3.928 87 HB2 HIS 11 HB2 HIS 11 48.691 13.771 -5.156 88 HB3 HIS 11 HB1 HIS 11 47.775 14.001 -3.648 89 HD1 HIS 11 HD1 HIS 11 49.568 15.860 -6.391 90 HD2 HIS 11 HD2 HIS 11 47.615 16.740 -2.770 91 HE1 HIS 11 HE1 HIS 11 49.168 18.383 -6.334 92 H GLY 12 HN GLY 12 49.442 12.870 -1.172 93 HA2 GLY 12 HA1 GLY 12 50.411 14.287 0.856 94 HA3 GLY 12 HA2 GLY 12 49.144 15.421 0.342 95 H GLY 13 HN GLY 13 48.553 12.058 -0.184 96 HA2 GLY 13 HA1 GLY 13 47.095 10.576 0.825 97 HA3 GLY 13 HA2 GLY 13 47.425 11.391 2.369 98 H ARG 14 HN ARG 14 45.779 12.044 -0.730 99 HA ARG 14 HA ARG 14 43.267 12.635 0.738 100 HB2 ARG 14 HB2 ARG 14 44.966 14.756 0.103 101 HB3 ARG 14 HB1 ARG 14 43.923 14.707 -1.330 102 HG2 ARG 14 HG2 ARG 14 42.906 14.810 1.552 103 HG3 ARG 14 HG1 ARG 14 43.062 16.221 0.483 104 HD2 ARG 14 HD2 ARG 14 41.437 15.344 -1.063 105 HD3 ARG 14 HD1 ARG 14 41.423 13.760 -0.249 106 HE ARG 14 HE ARG 14 40.447 16.272 1.102 107 HH11 ARG 14 HH11 ARG 14 40.683 12.915 1.299 108 HH12 ARG 14 HH12 ARG 14 39.044 12.658 1.792 109 HH21 ARG 14 HH21 ARG 14 38.101 15.959 1.309 110 HH22 ARG 14 HH22 ARG 14 37.582 14.381 1.797 111 H PHE 15 HN PHE 15 45.010 12.584 -2.390 112 HA PHE 15 HA PHE 15 42.576 11.869 -3.864 113 HB2 PHE 15 HB2 PHE 15 45.538 11.881 -4.575 114 HB3 PHE 15 HB1 PHE 15 44.260 11.397 -5.716 115 HD1 PHE 15 HD1 PHE 15 43.059 13.053 -6.937 116 HD2 PHE 15 HD2 PHE 15 45.330 14.203 -3.451 117 HE1 PHE 15 HE1 PHE 15 42.627 15.451 -7.447 118 HE2 PHE 15 HE2 PHE 15 44.896 16.602 -3.962 119 HZ PHE 15 HZ PHE 15 43.472 17.221 -5.910 120 H ILE 16 HN ILE 16 41.694 9.913 -3.942 121 HA ILE 16 HA ILE 16 41.418 7.676 -3.348 122 HB ILE 16 HB ILE 16 42.864 6.113 -4.633 123 HG12 ILE 16 HG12 ILE 16 44.360 8.617 -5.552 124 HG13 ILE 16 HG11 ILE 16 45.001 7.474 -4.352 125 HG21 ILE 16 HG21 ILE 16 42.127 8.548 -6.309 126 HG22 ILE 16 HG22 ILE 16 40.921 7.425 -5.637 127 HG23 ILE 16 HG23 ILE 16 42.125 6.840 -6.806 128 HD11 ILE 16 HD1 ILE 16 44.582 5.647 -6.152 129 HD12 ILE 16 HD2 ILE 16 45.943 6.761 -6.409 130 HD13 ILE 16 HD3 ILE 16 44.420 7.002 -7.293 131 H HIS 17 HN HIS 17 42.583 8.987 -1.222 132 HA HIS 17 HA HIS 17 44.268 6.790 -0.073 133 HB2 HIS 17 HB2 HIS 17 45.759 8.694 -0.747 134 HB3 HIS 17 HB1 HIS 17 44.813 9.762 0.319 135 HD1 HIS 17 HD1 HIS 17 47.194 6.803 0.375 136 HD2 HIS 17 HD2 HIS 17 45.252 9.356 3.096 137 HE1 HIS 17 HE1 HIS 17 48.239 6.404 2.672 138 H GLY 18 HN GLY 18 42.090 9.579 0.322 139 HA2 GLY 18 HA1 GLY 18 41.677 9.666 3.063 140 HA3 GLY 18 HA2 GLY 18 40.363 9.831 1.870 141 H MET 19 HN MET 19 40.802 7.248 0.769 142 HA MET 19 HA MET 19 40.681 4.984 2.089 143 HB2 MET 19 HB2 MET 19 38.349 6.555 3.080 144 HB3 MET 19 HB1 MET 19 38.093 4.833 2.775 145 HG2 MET 19 HG2 MET 19 39.381 4.162 4.571 146 HG3 MET 19 HG1 MET 19 40.555 5.479 4.379 147 HE1 MET 19 HE1 MET 19 36.359 5.809 6.279 148 HE2 MET 19 HE2 MET 19 37.093 4.342 5.588 149 HE3 MET 19 HE3 MET 19 36.630 5.692 4.523 150 H ILE 20 HN ILE 20 40.342 6.720 -0.358 151 HA ILE 20 HA ILE 20 39.510 6.386 -2.488 152 HB ILE 20 HB ILE 20 39.183 3.506 -1.488 153 HG12 ILE 20 HG12 ILE 20 41.000 3.099 -3.140 154 HG13 ILE 20 HG11 ILE 20 41.020 4.834 -3.531 155 HG21 ILE 20 HG21 ILE 20 38.794 3.031 -3.996 156 HG22 ILE 20 HG22 ILE 20 38.414 4.763 -4.145 157 HG23 ILE 20 HG23 ILE 20 37.429 3.721 -3.091 158 HD11 ILE 20 HD1 ILE 20 42.761 3.932 -1.798 159 HD12 ILE 20 HD2 ILE 20 41.388 3.889 -0.666 160 HD13 ILE 20 HD3 ILE 20 41.885 5.430 -1.409 161 H GLN 21 HN GLN 21 38.015 6.124 0.467 162 HA GLN 21 HA GLN 21 35.226 6.343 -0.767 163 HB2 GLN 21 HB2 GLN 21 35.642 4.411 0.811 164 HB3 GLN 21 HB1 GLN 21 35.962 5.603 2.091 165 HG2 GLN 21 HG2 GLN 21 33.722 6.519 1.894 166 HG3 GLN 21 HG1 GLN 21 33.388 5.521 0.459 167 HE21 GLN 21 HE21 GLN 21 31.890 5.486 3.037 168 HE22 GLN 21 HE22 GLN 21 32.060 3.841 3.659 169 H ASN 22 HN ASN 22 37.704 7.835 1.294 170 HA ASN 22 HA ASN 22 35.796 10.099 1.879 171 HB2 ASN 22 HB2 ASN 22 36.824 9.085 3.869 172 HB3 ASN 22 HB1 ASN 22 38.442 9.322 3.172 173 HD21 ASN 22 HD21 ASN 22 35.674 10.955 4.689 174 HD22 ASN 22 HD22 ASN 22 36.479 12.516 4.878 175 H HIS 23 HN HIS 23 38.546 9.039 0.085 176 HA HIS 23 HA HIS 23 40.103 11.302 -0.281 177 HB2 HIS 23 HB2 HIS 23 40.584 10.467 -2.536 178 HB3 HIS 23 HB1 HIS 23 40.465 9.106 -1.398 179 HD1 HIS 23 HD1 HIS 23 37.257 9.160 -1.256 180 HD2 HIS 23 HD2 HIS 23 39.537 9.156 -4.784 181 HE1 HIS 23 HE1 HIS 23 35.795 8.177 -3.106 182 H HIS 24 HN HIS 24 40.170 12.998 -1.874 183 HA HIS 24 HA HIS 24 37.854 13.654 -3.471 184 HB2 HIS 24 HB2 HIS 24 36.920 14.137 -1.202 185 HB3 HIS 24 HB1 HIS 24 38.228 15.317 -0.950 186 HD1 HIS 24 HD1 HIS 24 38.400 17.194 -3.024 187 HD2 HIS 24 HD2 HIS 24 34.719 15.240 -2.459 188 HE1 HIS 24 HE1 HIS 24 36.600 18.620 -4.144 Start of MODEL 21 1 H1 PHE 1 HT1 PHE 1 56.500 2.819 -12.948 2 H2 PHE 1 HT2 PHE 1 57.608 1.592 -13.342 3 H3 PHE 1 HT3 PHE 1 58.161 3.156 -12.973 4 HA PHE 1 HA PHE 1 56.622 1.568 -11.044 5 HB2 PHE 1 HB2 PHE 1 58.841 0.920 -10.065 6 HB3 PHE 1 HB1 PHE 1 58.512 0.170 -11.645 7 HD1 PHE 1 HD1 PHE 1 59.598 1.063 -13.715 8 HD2 PHE 1 HD2 PHE 1 60.635 2.522 -9.788 9 HE1 PHE 1 HE1 PHE 1 61.678 2.076 -14.641 10 HE2 PHE 1 HE2 PHE 1 62.714 3.535 -10.713 11 HZ PHE 1 HZ PHE 1 63.262 3.267 -13.128 12 H LEU 2 HN LEU 2 55.962 2.951 -9.550 13 HA LEU 2 HA LEU 2 57.099 5.612 -9.317 14 HB2 LEU 2 HB2 LEU 2 55.344 4.247 -7.248 15 HB3 LEU 2 HB1 LEU 2 55.454 5.979 -7.643 16 HG LEU 2 HG LEU 2 54.338 3.777 -9.434 17 HD11 LEU 2 HD11 LEU 2 52.215 5.036 -9.141 18 HD12 LEU 2 HD12 LEU 2 53.041 6.160 -8.037 19 HD13 LEU 2 HD13 LEU 2 52.845 4.449 -7.585 20 HD21 LEU 2 HD21 LEU 2 54.880 6.739 -9.900 21 HD22 LEU 2 HD22 LEU 2 53.669 5.843 -10.848 22 HD23 LEU 2 HD23 LEU 2 55.377 5.355 -10.902 23 H GLY 3 HN GLY 3 58.244 2.639 -8.344 24 HA2 GLY 3 HA1 GLY 3 60.127 2.166 -7.055 25 HA3 GLY 3 HA2 GLY 3 60.231 3.878 -6.597 26 H ALA 4 HN ALA 4 57.930 4.431 -5.337 27 HA ALA 4 HA ALA 4 57.106 2.371 -3.475 28 HB1 ALA 4 HB1 ALA 4 58.882 4.536 -2.307 29 HB2 ALA 4 HB2 ALA 4 59.456 2.892 -2.683 30 HB3 ALA 4 HB3 ALA 4 58.174 3.133 -1.472 31 H LEU 5 HN LEU 5 55.787 3.337 -1.648 32 HA LEU 5 HA LEU 5 53.987 5.313 -2.817 33 HB2 LEU 5 HB2 LEU 5 54.137 3.863 -0.152 34 HB3 LEU 5 HB1 LEU 5 52.926 5.132 -0.449 35 HG LEU 5 HG LEU 5 52.071 3.893 -2.399 36 HD11 LEU 5 HD11 LEU 5 54.365 2.014 -1.715 37 HD12 LEU 5 HD12 LEU 5 53.965 2.757 -3.283 38 HD13 LEU 5 HD13 LEU 5 52.946 1.453 -2.633 39 HD21 LEU 5 HD21 LEU 5 51.023 2.072 -1.182 40 HD22 LEU 5 HD22 LEU 5 51.251 3.423 -0.046 41 HD23 LEU 5 HD23 LEU 5 52.354 2.027 -0.003 42 H ILE 6 HN ILE 6 55.056 7.245 -3.114 43 HA ILE 6 HA ILE 6 55.403 8.863 -0.625 44 HB ILE 6 HB ILE 6 57.677 9.652 -1.316 45 HG12 ILE 6 HG12 ILE 6 57.454 7.427 -3.398 46 HG13 ILE 6 HG11 ILE 6 57.508 9.172 -3.736 47 HG21 ILE 6 HG21 ILE 6 57.297 7.675 0.266 48 HG22 ILE 6 HG22 ILE 6 58.904 7.769 -0.488 49 HG23 ILE 6 HG23 ILE 6 57.697 6.617 -1.109 50 HD11 ILE 6 HD1 ILE 6 59.743 8.454 -4.082 51 HD12 ILE 6 HD2 ILE 6 59.714 7.380 -2.666 52 HD13 ILE 6 HD3 ILE 6 59.774 9.147 -2.444 53 H LYS 7 HN LYS 7 56.962 10.891 -2.266 54 HA LYS 7 HA LYS 7 56.190 12.860 -3.242 55 HB2 LYS 7 HB2 LYS 7 55.883 11.276 -5.296 56 HB3 LYS 7 HB1 LYS 7 54.176 11.175 -4.805 57 HG2 LYS 7 HG2 LYS 7 53.909 13.588 -5.034 58 HG3 LYS 7 HG1 LYS 7 55.648 13.789 -5.353 59 HD2 LYS 7 HD2 LYS 7 55.483 12.581 -7.442 60 HD3 LYS 7 HD1 LYS 7 53.806 12.096 -7.092 61 HE2 LYS 7 HE2 LYS 7 54.776 14.962 -7.484 62 HE3 LYS 7 HE1 LYS 7 53.879 13.999 -8.683 63 HZ1 LYS 7 HZ1 LYS 7 52.867 15.503 -6.529 64 HZ2 LYS 7 HZ2 LYS 7 52.488 13.867 -6.263 65 HZ3 LYS 7 HZ3 LYS 7 52.011 14.630 -7.705 66 H GLY 8 HN GLY 8 55.409 11.388 -1.110 67 HA2 GLY 8 HA1 GLY 8 53.904 10.895 0.447 68 HA3 GLY 8 HA2 GLY 8 53.682 12.686 0.466 69 H ALA 9 HN ALA 9 52.465 9.590 -0.567 70 HA ALA 9 HA ALA 9 50.499 8.936 -1.599 71 HB1 ALA 9 HB1 ALA 9 49.816 9.224 0.723 72 HB2 ALA 9 HB2 ALA 9 48.493 9.714 -0.361 73 HB3 ALA 9 HB3 ALA 9 49.492 10.950 0.439 74 H ILE 10 HN ILE 10 51.757 10.708 -3.229 75 HA ILE 10 HA ILE 10 51.473 12.452 -4.751 76 HB ILE 10 HB ILE 10 49.153 12.028 -6.078 77 HG12 ILE 10 HG12 ILE 10 49.537 9.469 -4.447 78 HG13 ILE 10 HG11 ILE 10 48.192 10.611 -4.258 79 HG21 ILE 10 HG21 ILE 10 51.337 9.896 -6.027 80 HG22 ILE 10 HG22 ILE 10 51.506 11.469 -6.842 81 HG23 ILE 10 HG23 ILE 10 50.273 10.316 -7.388 82 HD11 ILE 10 HD1 ILE 10 47.837 10.205 -6.852 83 HD12 ILE 10 HD2 ILE 10 47.248 9.000 -5.682 84 HD13 ILE 10 HD3 ILE 10 48.774 8.722 -6.549 85 H HIS 11 HN HIS 11 47.981 12.317 -4.443 86 HA HIS 11 HA HIS 11 47.679 15.093 -4.219 87 HB2 HIS 11 HB2 HIS 11 45.404 14.519 -3.222 88 HB3 HIS 11 HB1 HIS 11 45.782 13.762 -4.787 89 HD1 HIS 11 HD1 HIS 11 45.247 11.337 -4.868 90 HD2 HIS 11 HD2 HIS 11 46.233 12.596 -0.978 91 HE1 HIS 11 HE1 HIS 11 45.086 9.294 -3.342 92 H GLY 12 HN GLY 12 49.090 13.031 -1.911 93 HA2 GLY 12 HA1 GLY 12 48.057 14.303 0.482 94 HA3 GLY 12 HA2 GLY 12 49.526 13.316 0.359 95 H GLY 13 HN GLY 13 49.670 15.633 -2.001 96 HA2 GLY 13 HA1 GLY 13 50.505 17.927 -0.439 97 HA3 GLY 13 HA2 GLY 13 51.896 16.986 -1.017 98 H ARG 14 HN ARG 14 50.259 16.115 -3.418 99 HA ARG 14 HA ARG 14 51.119 18.299 -5.140 100 HB2 ARG 14 HB2 ARG 14 50.863 15.669 -5.565 101 HB3 ARG 14 HB1 ARG 14 49.228 16.128 -6.086 102 HG2 ARG 14 HG2 ARG 14 51.848 17.264 -7.175 103 HG3 ARG 14 HG1 ARG 14 50.785 16.105 -8.006 104 HD2 ARG 14 HD2 ARG 14 48.923 17.883 -7.736 105 HD3 ARG 14 HD1 ARG 14 50.237 19.013 -7.327 106 HE ARG 14 HE ARG 14 50.770 19.071 -9.616 107 HH11 ARG 14 HH11 ARG 14 51.777 16.905 -10.729 108 HH12 ARG 14 HH12 ARG 14 50.516 16.021 -11.522 109 HH21 ARG 14 HH21 ARG 14 47.957 17.625 -9.818 110 HH22 ARG 14 HH22 ARG 14 48.353 16.429 -11.007 111 H PHE 15 HN PHE 15 47.912 16.883 -4.326 112 HA PHE 15 HA PHE 15 46.209 18.547 -5.716 113 HB2 PHE 15 HB2 PHE 15 45.555 16.698 -4.155 114 HB3 PHE 15 HB1 PHE 15 45.846 17.801 -2.789 115 HD1 PHE 15 HD1 PHE 15 44.079 19.197 -2.042 116 HD2 PHE 15 HD2 PHE 15 43.961 17.588 -6.047 117 HE1 PHE 15 HE1 PHE 15 41.800 20.151 -2.360 118 HE2 PHE 15 HE2 PHE 15 41.683 18.544 -6.363 119 HZ PHE 15 HZ PHE 15 40.575 19.762 -4.494 120 H ILE 16 HN ILE 16 46.878 20.624 -6.075 121 HA ILE 16 HA ILE 16 47.530 22.813 -5.542 122 HB ILE 16 HB ILE 16 45.690 24.022 -4.315 123 HG12 ILE 16 HG12 ILE 16 44.396 21.255 -4.175 124 HG13 ILE 16 HG11 ILE 16 45.146 22.056 -2.781 125 HG21 ILE 16 HG21 ILE 16 44.608 22.048 -6.371 126 HG22 ILE 16 HG22 ILE 16 45.664 23.408 -6.805 127 HG23 ILE 16 HG23 ILE 16 44.076 23.718 -6.073 128 HD11 ILE 16 HD1 ILE 16 42.690 22.903 -4.352 129 HD12 ILE 16 HD2 ILE 16 43.571 24.052 -3.316 130 HD13 ILE 16 HD3 ILE 16 42.839 22.594 -2.608 131 H HIS 17 HN HIS 17 49.293 21.515 -4.163 132 HA HIS 17 HA HIS 17 49.646 23.169 -1.772 133 HB2 HIS 17 HB2 HIS 17 49.149 20.177 -1.511 134 HB3 HIS 17 HB1 HIS 17 49.995 21.128 -0.268 135 HD1 HIS 17 HD1 HIS 17 48.407 23.672 -0.075 136 HD2 HIS 17 HD2 HIS 17 46.564 19.923 -0.580 137 HE1 HIS 17 HE1 HIS 17 46.001 23.887 0.763 138 H GLY 18 HN GLY 18 50.601 21.062 -4.256 139 HA2 GLY 18 HA1 GLY 18 53.483 21.555 -3.619 140 HA3 GLY 18 HA2 GLY 18 52.933 19.899 -3.963 141 H MET 19 HN MET 19 52.072 23.073 -5.295 142 HA MET 19 HA MET 19 53.430 22.865 -7.807 143 HB2 MET 19 HB2 MET 19 51.957 21.024 -8.127 144 HB3 MET 19 HB1 MET 19 50.589 22.038 -7.697 145 HG2 MET 19 HG2 MET 19 50.829 23.374 -9.685 146 HG3 MET 19 HG1 MET 19 52.428 22.676 -10.030 147 HE1 MET 19 HE1 MET 19 48.757 22.644 -10.601 148 HE2 MET 19 HE2 MET 19 48.744 21.537 -9.207 149 HE3 MET 19 HE3 MET 19 48.268 20.946 -10.816 150 H ILE 20 HN ILE 20 50.191 23.703 -6.467 151 HA ILE 20 HA ILE 20 50.273 26.369 -7.705 152 HB ILE 20 HB ILE 20 48.605 25.078 -5.488 153 HG12 ILE 20 HG12 ILE 20 46.764 25.481 -7.010 154 HG13 ILE 20 HG11 ILE 20 47.768 26.523 -8.041 155 HG21 ILE 20 HG21 ILE 20 48.768 28.030 -6.229 156 HG22 ILE 20 HG22 ILE 20 48.932 27.297 -4.615 157 HG23 ILE 20 HG23 ILE 20 47.347 27.321 -5.425 158 HD11 ILE 20 HD1 ILE 20 48.489 23.609 -7.550 159 HD12 ILE 20 HD2 ILE 20 49.051 24.688 -8.848 160 HD13 ILE 20 HD3 ILE 20 47.375 24.092 -8.849 161 H GLN 21 HN GLN 21 51.851 24.572 -5.464 162 HA GLN 21 HA GLN 21 53.107 26.911 -4.115 163 HB2 GLN 21 HB2 GLN 21 52.472 24.133 -3.037 164 HB3 GLN 21 HB1 GLN 21 53.562 25.290 -2.235 165 HG2 GLN 21 HG2 GLN 21 51.679 26.964 -2.217 166 HG3 GLN 21 HG1 GLN 21 50.606 25.698 -2.861 167 HE21 GLN 21 HE21 GLN 21 49.536 26.351 -0.606 168 HE22 GLN 21 HE22 GLN 21 50.058 25.364 0.765 169 H ASN 22 HN ASN 22 53.399 23.835 -6.078 170 HA ASN 22 HA ASN 22 56.436 24.199 -5.722 171 HB2 ASN 22 HB2 ASN 22 55.309 21.946 -5.068 172 HB3 ASN 22 HB1 ASN 22 55.158 21.683 -6.818 173 HD21 ASN 22 HD21 ASN 22 57.795 23.516 -6.907 174 HD22 ASN 22 HD22 ASN 22 59.056 22.309 -6.634 175 H HIS 23 HN HIS 23 54.320 25.458 -7.613 176 HA HIS 23 HA HIS 23 54.121 25.907 -9.902 177 HB2 HIS 23 HB2 HIS 23 56.088 27.231 -9.083 178 HB3 HIS 23 HB1 HIS 23 57.152 25.929 -9.668 179 HD1 HIS 23 HD1 HIS 23 54.195 27.928 -11.136 180 HD2 HIS 23 HD2 HIS 23 58.043 26.594 -12.185 181 HE1 HIS 23 HE1 HIS 23 54.630 28.672 -13.542 182 H HIS 24 HN HIS 24 54.535 22.960 -9.184 183 HA HIS 24 HA HIS 24 54.842 22.058 -11.965 184 HB2 HIS 24 HB2 HIS 24 56.851 21.257 -9.821 185 HB3 HIS 24 HB1 HIS 24 56.632 20.385 -11.358 186 HD1 HIS 24 HD1 HIS 24 58.175 23.426 -9.845 187 HD2 HIS 24 HD2 HIS 24 57.399 21.920 -13.693 188 HE1 HIS 24 HE1 HIS 24 59.504 24.846 -11.500 Start of MODEL 22 1 H1 PHE 1 HT1 PHE 1 55.173 2.132 -11.404 2 H2 PHE 1 HT2 PHE 1 53.492 1.912 -11.289 3 H3 PHE 1 HT3 PHE 1 54.412 0.938 -12.335 4 HA PHE 1 HA PHE 1 53.675 -0.077 -10.181 5 HB2 PHE 1 HB2 PHE 1 55.486 -0.936 -11.724 6 HB3 PHE 1 HB1 PHE 1 56.662 -0.025 -10.749 7 HD1 PHE 1 HD1 PHE 1 54.361 -2.913 -10.829 8 HD2 PHE 1 HD2 PHE 1 57.124 -0.651 -8.406 9 HE1 PHE 1 HE1 PHE 1 54.427 -4.771 -9.169 10 HE2 PHE 1 HE2 PHE 1 57.191 -2.509 -6.746 11 HZ PHE 1 HZ PHE 1 55.792 -4.541 -7.098 12 H LEU 2 HN LEU 2 56.180 2.453 -10.108 13 HA LEU 2 HA LEU 2 56.991 3.726 -8.355 14 HB2 LEU 2 HB2 LEU 2 54.522 2.911 -6.786 15 HB3 LEU 2 HB1 LEU 2 55.466 4.412 -6.657 16 HG LEU 2 HG LEU 2 53.792 3.529 -9.051 17 HD11 LEU 2 HD11 LEU 2 52.579 4.362 -6.982 18 HD12 LEU 2 HD12 LEU 2 52.319 5.351 -8.438 19 HD13 LEU 2 HD13 LEU 2 53.444 5.905 -7.174 20 HD21 LEU 2 HD21 LEU 2 55.623 4.757 -9.961 21 HD22 LEU 2 HD22 LEU 2 55.666 5.885 -8.584 22 HD23 LEU 2 HD23 LEU 2 54.340 5.972 -9.768 23 H GLY 3 HN GLY 3 55.234 1.314 -6.362 24 HA2 GLY 3 HA1 GLY 3 56.056 -0.283 -4.901 25 HA3 GLY 3 HA2 GLY 3 57.606 -0.214 -5.762 26 H ALA 4 HN ALA 4 55.977 2.543 -4.244 27 HA ALA 4 HA ALA 4 57.476 2.420 -1.776 28 HB1 ALA 4 HB1 ALA 4 58.526 4.225 -3.977 29 HB2 ALA 4 HB2 ALA 4 59.402 2.930 -3.126 30 HB3 ALA 4 HB3 ALA 4 58.939 4.413 -2.257 31 H LEU 5 HN LEU 5 56.611 3.773 -0.295 32 HA LEU 5 HA LEU 5 54.250 5.298 -1.096 33 HB2 LEU 5 HB2 LEU 5 55.721 4.835 1.516 34 HB3 LEU 5 HB1 LEU 5 54.377 5.989 1.418 35 HG LEU 5 HG LEU 5 53.763 3.631 2.172 36 HD11 LEU 5 HD11 LEU 5 52.185 5.367 0.994 37 HD12 LEU 5 HD12 LEU 5 51.651 3.680 1.130 38 HD13 LEU 5 HD13 LEU 5 52.294 4.282 -0.409 39 HD21 LEU 5 HD21 LEU 5 53.691 1.837 0.567 40 HD22 LEU 5 HD22 LEU 5 55.330 2.524 0.502 41 HD23 LEU 5 HD23 LEU 5 54.149 2.918 -0.768 42 H ILE 6 HN ILE 6 55.063 6.854 -2.557 43 HA ILE 6 HA ILE 6 55.992 9.307 -1.180 44 HB ILE 6 HB ILE 6 58.095 7.828 -1.842 45 HG12 ILE 6 HG12 ILE 6 59.181 10.104 -2.827 46 HG13 ILE 6 HG11 ILE 6 57.622 10.787 -2.317 47 HG21 ILE 6 HG21 ILE 6 57.958 9.090 -4.575 48 HG22 ILE 6 HG22 ILE 6 56.955 7.646 -4.307 49 HG23 ILE 6 HG23 ILE 6 58.711 7.569 -4.053 50 HD11 ILE 6 HD1 ILE 6 57.980 9.856 -0.032 51 HD12 ILE 6 HD2 ILE 6 59.275 10.979 -0.507 52 HD13 ILE 6 HD3 ILE 6 59.558 9.222 -0.554 53 H LYS 7 HN LYS 7 56.937 10.384 -3.871 54 HA LYS 7 HA LYS 7 55.801 11.790 -5.340 55 HB2 LYS 7 HB2 LYS 7 55.066 9.498 -6.361 56 HB3 LYS 7 HB1 LYS 7 53.557 9.717 -5.441 57 HG2 LYS 7 HG2 LYS 7 53.096 11.817 -6.596 58 HG3 LYS 7 HG1 LYS 7 54.671 11.752 -7.423 59 HD2 LYS 7 HD2 LYS 7 53.966 9.584 -8.485 60 HD3 LYS 7 HD1 LYS 7 52.356 9.798 -7.756 61 HE2 LYS 7 HE2 LYS 7 53.682 11.842 -9.587 62 HE3 LYS 7 HE1 LYS 7 52.514 10.619 -10.141 63 HZ1 LYS 7 HZ1 LYS 7 51.497 12.793 -9.617 64 HZ2 LYS 7 HZ2 LYS 7 51.978 12.614 -7.997 65 HZ3 LYS 7 HZ3 LYS 7 50.864 11.529 -8.681 66 H GLY 8 HN GLY 8 55.718 11.401 -2.663 67 HA2 GLY 8 HA1 GLY 8 54.715 11.688 -0.702 68 HA3 GLY 8 HA2 GLY 8 54.401 13.333 -1.375 69 H ALA 9 HN ALA 9 53.141 10.028 -1.119 70 HA ALA 9 HA ALA 9 50.993 9.204 -1.066 71 HB1 ALA 9 HB1 ALA 9 51.018 10.594 1.008 72 HB2 ALA 9 HB2 ALA 9 49.399 10.429 0.290 73 HB3 ALA 9 HB3 ALA 9 50.319 11.936 0.073 74 H ILE 10 HN ILE 10 51.867 10.511 -3.495 75 HA ILE 10 HA ILE 10 50.946 10.945 -5.549 76 HB ILE 10 HB ILE 10 48.790 9.651 -4.235 77 HG12 ILE 10 HG12 ILE 10 48.944 10.580 -7.140 78 HG13 ILE 10 HG11 ILE 10 49.739 9.132 -6.479 79 HG21 ILE 10 HG21 ILE 10 47.640 12.055 -5.714 80 HG22 ILE 10 HG22 ILE 10 47.718 11.950 -3.942 81 HG23 ILE 10 HG23 ILE 10 46.749 10.779 -4.854 82 HD11 ILE 10 HD1 ILE 10 47.305 8.485 -5.671 83 HD12 ILE 10 HD2 ILE 10 47.755 8.237 -7.375 84 HD13 ILE 10 HD3 ILE 10 46.783 9.652 -6.912 85 H HIS 11 HN HIS 11 49.594 12.705 -2.783 86 HA HIS 11 HA HIS 11 50.352 15.239 -3.990 87 HB2 HIS 11 HB2 HIS 11 48.261 14.806 -5.252 88 HB3 HIS 11 HB1 HIS 11 47.378 14.647 -3.714 89 HD1 HIS 11 HD1 HIS 11 47.275 16.819 -2.155 90 HD2 HIS 11 HD2 HIS 11 48.784 17.459 -6.027 91 HE1 HIS 11 HE1 HIS 11 47.200 19.335 -2.596 92 H GLY 12 HN GLY 12 49.296 13.206 -1.477 93 HA2 GLY 12 HA1 GLY 12 50.258 14.292 0.718 94 HA3 GLY 12 HA2 GLY 12 48.956 15.471 0.453 95 H GLY 13 HN GLY 13 48.336 12.247 -0.615 96 HA2 GLY 13 HA1 GLY 13 47.034 10.547 0.283 97 HA3 GLY 13 HA2 GLY 13 47.304 11.234 1.897 98 H ARG 14 HN ARG 14 45.490 11.781 -1.142 99 HA ARG 14 HA ARG 14 43.011 12.102 0.333 100 HB2 ARG 14 HB2 ARG 14 44.401 14.358 0.526 101 HB3 ARG 14 HB1 ARG 14 43.839 14.624 -1.134 102 HG2 ARG 14 HG2 ARG 14 42.002 14.014 1.236 103 HG3 ARG 14 HG1 ARG 14 42.350 15.646 0.632 104 HD2 ARG 14 HD2 ARG 14 40.925 13.391 -0.834 105 HD3 ARG 14 HD1 ARG 14 40.271 14.972 -0.365 106 HE ARG 14 HE ARG 14 42.510 15.404 -2.083 107 HH11 ARG 14 HH11 ARG 14 40.488 13.039 -2.963 108 HH12 ARG 14 HH12 ARG 14 39.664 13.890 -4.226 109 HH21 ARG 14 HH21 ARG 14 40.941 16.987 -3.336 110 HH22 ARG 14 HH22 ARG 14 39.921 16.124 -4.437 111 H PHE 15 HN PHE 15 44.619 13.202 -2.685 112 HA PHE 15 HA PHE 15 42.311 12.782 -4.341 113 HB2 PHE 15 HB2 PHE 15 44.291 14.169 -4.976 114 HB3 PHE 15 HB1 PHE 15 45.257 12.681 -5.118 115 HD1 PHE 15 HD1 PHE 15 42.056 14.248 -6.346 116 HD2 PHE 15 HD2 PHE 15 45.294 11.516 -7.186 117 HE1 PHE 15 HE1 PHE 15 41.191 13.930 -8.660 118 HE2 PHE 15 HE2 PHE 15 44.425 11.199 -9.499 119 HZ PHE 15 HZ PHE 15 42.377 12.411 -10.238 120 H ILE 16 HN ILE 16 41.356 10.801 -3.987 121 HA ILE 16 HA ILE 16 41.216 8.465 -3.830 122 HB ILE 16 HB ILE 16 41.818 7.343 -6.026 123 HG12 ILE 16 HG12 ILE 16 42.608 10.178 -6.853 124 HG13 ILE 16 HG11 ILE 16 43.775 8.879 -6.527 125 HG21 ILE 16 HG21 ILE 16 40.057 8.451 -7.260 126 HG22 ILE 16 HG22 ILE 16 40.301 9.966 -6.359 127 HG23 ILE 16 HG23 ILE 16 39.625 8.540 -5.539 128 HD11 ILE 16 HD1 ILE 16 43.491 8.791 -8.874 129 HD12 ILE 16 HD2 ILE 16 41.742 9.085 -8.769 130 HD13 ILE 16 HD3 ILE 16 42.410 7.506 -8.289 131 H HIS 17 HN HIS 17 43.105 8.975 -2.155 132 HA HIS 17 HA HIS 17 45.136 6.838 -2.659 133 HB2 HIS 17 HB2 HIS 17 46.187 9.019 -3.271 134 HB3 HIS 17 HB1 HIS 17 45.829 9.622 -1.635 135 HD1 HIS 17 HD1 HIS 17 47.223 8.722 0.340 136 HD2 HIS 17 HD2 HIS 17 48.267 7.065 -3.381 137 HE1 HIS 17 HE1 HIS 17 49.395 7.419 0.670 138 H GLY 18 HN GLY 18 43.253 8.916 -0.500 139 HA2 GLY 18 HA1 GLY 18 44.265 8.134 2.011 140 HA3 GLY 18 HA2 GLY 18 42.547 8.492 1.672 141 H MET 19 HN MET 19 41.759 6.726 0.032 142 HA MET 19 HA MET 19 42.377 4.032 0.424 143 HB2 MET 19 HB2 MET 19 41.633 4.572 2.819 144 HB3 MET 19 HB1 MET 19 40.024 4.824 2.117 145 HG2 MET 19 HG2 MET 19 39.771 2.539 1.569 146 HG3 MET 19 HG1 MET 19 41.522 2.230 1.597 147 HE1 MET 19 HE1 MET 19 42.503 1.628 5.111 148 HE2 MET 19 HE2 MET 19 42.901 2.905 3.937 149 HE3 MET 19 HE3 MET 19 42.710 1.221 3.391 150 H ILE 20 HN ILE 20 41.324 6.385 -1.145 151 HA ILE 20 HA ILE 20 39.814 6.678 -2.864 152 HB ILE 20 HB ILE 20 39.701 3.618 -2.725 153 HG12 ILE 20 HG12 ILE 20 40.815 3.772 -4.893 154 HG13 ILE 20 HG11 ILE 20 40.631 5.541 -4.901 155 HG21 ILE 20 HG21 ILE 20 38.380 3.879 -4.935 156 HG22 ILE 20 HG22 ILE 20 38.045 5.542 -4.394 157 HG23 ILE 20 HG23 ILE 20 37.487 4.160 -3.422 158 HD11 ILE 20 HD1 ILE 20 42.932 4.581 -4.178 159 HD12 ILE 20 HD2 ILE 20 42.119 4.115 -2.664 160 HD13 ILE 20 HD3 ILE 20 42.203 5.829 -3.141 161 H GLN 21 HN GLN 21 39.419 5.530 0.219 162 HA GLN 21 HA GLN 21 36.494 6.359 0.215 163 HB2 GLN 21 HB2 GLN 21 37.645 3.810 1.406 164 HB3 GLN 21 HB1 GLN 21 36.047 4.468 1.828 165 HG2 GLN 21 HG2 GLN 21 35.370 4.361 -0.555 166 HG3 GLN 21 HG1 GLN 21 36.968 3.697 -0.977 167 HE21 GLN 21 HE21 GLN 21 34.562 2.997 1.671 168 HE22 GLN 21 HE22 GLN 21 34.551 1.255 1.375 169 H ASN 22 HN ASN 22 39.588 6.916 1.425 170 HA ASN 22 HA ASN 22 38.440 7.823 4.081 171 HB2 ASN 22 HB2 ASN 22 41.229 6.835 3.385 172 HB3 ASN 22 HB1 ASN 22 40.800 7.626 4.919 173 HD21 ASN 22 HD21 ASN 22 41.409 5.517 5.982 174 HD22 ASN 22 HD22 ASN 22 40.227 4.204 5.975 175 H HIS 23 HN HIS 23 40.355 8.536 1.217 176 HA HIS 23 HA HIS 23 41.254 10.538 0.461 177 HB2 HIS 23 HB2 HIS 23 38.860 11.495 2.074 178 HB3 HIS 23 HB1 HIS 23 39.875 12.614 1.135 179 HD1 HIS 23 HD1 HIS 23 39.527 9.207 -0.317 180 HD2 HIS 23 HD2 HIS 23 37.520 12.894 -0.606 181 HE1 HIS 23 HE1 HIS 23 38.050 9.109 -2.400 182 H HIS 24 HN HIS 24 40.163 12.305 3.267 183 HA HIS 24 HA HIS 24 42.824 13.213 3.875 184 HB2 HIS 24 HB2 HIS 24 40.727 14.472 4.391 185 HB3 HIS 24 HB1 HIS 24 40.350 13.270 5.649 186 HD1 HIS 24 HD1 HIS 24 40.828 14.370 7.843 187 HD2 HIS 24 HD2 HIS 24 43.801 15.192 4.983 188 HE1 HIS 24 HE1 HIS 24 42.684 15.669 9.025 Start of MODEL 23 1 H1 PHE 1 HT1 PHE 1 54.353 4.260 6.319 2 H2 PHE 1 HT2 PHE 1 55.581 5.375 6.693 3 H3 PHE 1 HT3 PHE 1 55.155 4.166 7.810 4 HA PHE 1 HA PHE 1 57.238 3.967 6.269 5 HB2 PHE 1 HB2 PHE 1 56.515 2.384 8.036 6 HB3 PHE 1 HB1 PHE 1 55.334 1.678 6.905 7 HD1 PHE 1 HD1 PHE 1 56.005 -0.066 5.436 8 HD2 PHE 1 HD2 PHE 1 59.002 2.448 7.265 9 HE1 PHE 1 HE1 PHE 1 57.798 -1.519 4.498 10 HE2 PHE 1 HE2 PHE 1 60.792 0.992 6.326 11 HZ PHE 1 HZ PHE 1 60.193 -0.950 4.886 12 H LEU 2 HN LEU 2 56.099 5.201 4.322 13 HA LEU 2 HA LEU 2 54.737 3.480 2.404 14 HB2 LEU 2 HB2 LEU 2 56.181 6.083 1.788 15 HB3 LEU 2 HB1 LEU 2 54.786 5.367 0.947 16 HG LEU 2 HG LEU 2 54.787 6.422 3.812 17 HD11 LEU 2 HD11 LEU 2 53.551 7.501 1.238 18 HD12 LEU 2 HD12 LEU 2 54.925 8.211 2.120 19 HD13 LEU 2 HD13 LEU 2 53.308 8.183 2.864 20 HD21 LEU 2 HD21 LEU 2 52.671 5.101 2.059 21 HD22 LEU 2 HD22 LEU 2 52.236 6.141 3.437 22 HD23 LEU 2 HD23 LEU 2 53.174 4.656 3.707 23 H GLY 3 HN GLY 3 57.823 5.262 1.982 24 HA2 GLY 3 HA1 GLY 3 59.707 4.679 0.770 25 HA3 GLY 3 HA2 GLY 3 59.529 3.094 1.549 26 H ALA 4 HN ALA 4 57.448 4.764 -0.842 27 HA ALA 4 HA ALA 4 58.346 3.131 -3.054 28 HB1 ALA 4 HB1 ALA 4 55.627 2.386 -1.939 29 HB2 ALA 4 HB2 ALA 4 57.105 1.442 -1.634 30 HB3 ALA 4 HB3 ALA 4 56.497 1.633 -3.296 31 H LEU 5 HN LEU 5 55.097 4.221 -1.974 32 HA LEU 5 HA LEU 5 54.544 5.469 -4.520 33 HB2 LEU 5 HB2 LEU 5 53.159 6.136 -1.901 34 HB3 LEU 5 HB1 LEU 5 52.486 6.152 -3.548 35 HG LEU 5 HG LEU 5 53.351 3.700 -1.951 36 HD11 LEU 5 HD11 LEU 5 51.138 4.816 -1.399 37 HD12 LEU 5 HD12 LEU 5 50.998 3.135 -1.966 38 HD13 LEU 5 HD13 LEU 5 50.626 4.481 -3.070 39 HD21 LEU 5 HD21 LEU 5 53.921 3.216 -4.226 40 HD22 LEU 5 HD22 LEU 5 52.477 4.050 -4.849 41 HD23 LEU 5 HD23 LEU 5 52.310 2.498 -3.995 42 H ILE 6 HN ILE 6 54.937 6.962 -1.268 43 HA ILE 6 HA ILE 6 55.535 9.159 -0.689 44 HB ILE 6 HB ILE 6 57.536 9.168 -3.002 45 HG12 ILE 6 HG12 ILE 6 57.662 7.353 -0.549 46 HG13 ILE 6 HG11 ILE 6 57.573 6.831 -2.247 47 HG21 ILE 6 HG21 ILE 6 58.008 9.721 -0.045 48 HG22 ILE 6 HG22 ILE 6 57.283 10.949 -1.105 49 HG23 ILE 6 HG23 ILE 6 58.912 10.328 -1.452 50 HD11 ILE 6 HD1 ILE 6 59.743 8.183 -2.610 51 HD12 ILE 6 HD2 ILE 6 59.883 6.677 -1.672 52 HD13 ILE 6 HD3 ILE 6 59.863 8.246 -0.835 53 H LYS 7 HN LYS 7 56.833 10.977 -2.851 54 HA LYS 7 HA LYS 7 55.896 12.868 -3.852 55 HB2 LYS 7 HB2 LYS 7 53.671 10.993 -4.806 56 HB3 LYS 7 HB1 LYS 7 54.104 12.571 -5.508 57 HG2 LYS 7 HG2 LYS 7 56.250 11.722 -6.264 58 HG3 LYS 7 HG1 LYS 7 56.000 10.187 -5.396 59 HD2 LYS 7 HD2 LYS 7 54.152 9.585 -6.844 60 HD3 LYS 7 HD1 LYS 7 54.162 11.194 -7.609 61 HE2 LYS 7 HE2 LYS 7 56.416 9.142 -7.733 62 HE3 LYS 7 HE1 LYS 7 55.293 9.540 -9.054 63 HZ1 LYS 7 HZ1 LYS 7 57.459 11.168 -7.893 64 HZ2 LYS 7 HZ2 LYS 7 56.128 11.941 -8.612 65 HZ3 LYS 7 HZ3 LYS 7 57.088 10.875 -9.522 66 H GLY 8 HN GLY 8 55.518 11.656 -1.463 67 HA2 GLY 8 HA1 GLY 8 54.326 11.372 0.391 68 HA3 GLY 8 HA2 GLY 8 54.128 13.162 0.259 69 H ALA 9 HN ALA 9 52.674 10.059 0.095 70 HA ALA 9 HA ALA 9 50.547 9.303 -0.359 71 HB1 ALA 9 HB1 ALA 9 48.786 10.543 0.851 72 HB2 ALA 9 HB2 ALA 9 49.904 11.913 1.056 73 HB3 ALA 9 HB3 ALA 9 50.255 10.354 1.837 74 H ILE 10 HN ILE 10 51.698 10.547 -2.556 75 HA ILE 10 HA ILE 10 51.243 11.811 -4.466 76 HB ILE 10 HB ILE 10 48.804 11.068 -5.386 77 HG12 ILE 10 HG12 ILE 10 49.414 9.039 -3.178 78 HG13 ILE 10 HG11 ILE 10 48.071 10.198 -3.164 79 HG21 ILE 10 HG21 ILE 10 49.823 9.060 -6.302 80 HG22 ILE 10 HG22 ILE 10 51.033 9.018 -4.999 81 HG23 ILE 10 HG23 ILE 10 51.077 10.313 -6.219 82 HD11 ILE 10 HD1 ILE 10 47.023 8.264 -3.993 83 HD12 ILE 10 HD2 ILE 10 48.458 7.758 -4.912 84 HD13 ILE 10 HD3 ILE 10 47.455 9.110 -5.497 85 H HIS 11 HN HIS 11 47.802 11.794 -3.772 86 HA HIS 11 HA HIS 11 47.472 14.532 -4.286 87 HB2 HIS 11 HB2 HIS 11 45.296 14.319 -3.177 88 HB3 HIS 11 HB1 HIS 11 45.619 12.905 -4.207 89 HD1 HIS 11 HD1 HIS 11 46.240 13.917 -0.536 90 HD2 HIS 11 HD2 HIS 11 45.100 10.580 -2.828 91 HE1 HIS 11 HE1 HIS 11 45.837 11.982 1.082 92 H GLY 12 HN GLY 12 49.154 13.154 -1.660 93 HA2 GLY 12 HA1 GLY 12 48.346 14.867 0.474 94 HA3 GLY 12 HA2 GLY 12 49.959 14.154 0.284 95 H GLY 13 HN GLY 13 49.603 15.622 -2.523 96 HA2 GLY 13 HA1 GLY 13 49.922 18.422 -1.812 97 HA3 GLY 13 HA2 GLY 13 51.466 17.636 -2.200 98 H ARG 14 HN ARG 14 50.004 15.734 -4.052 99 HA ARG 14 HA ARG 14 50.381 17.302 -6.445 100 HB2 ARG 14 HB2 ARG 14 50.715 14.822 -6.288 101 HB3 ARG 14 HB1 ARG 14 48.957 14.631 -6.124 102 HG2 ARG 14 HG2 ARG 14 49.579 14.264 -8.457 103 HG3 ARG 14 HG1 ARG 14 48.658 15.776 -8.340 104 HD2 ARG 14 HD2 ARG 14 50.541 17.110 -8.770 105 HD3 ARG 14 HD1 ARG 14 51.683 15.888 -8.158 106 HE ARG 14 HE ARG 14 50.647 16.066 -10.884 107 HH11 ARG 14 HH11 ARG 14 53.130 14.830 -9.160 108 HH12 ARG 14 HH12 ARG 14 53.165 13.269 -9.910 109 HH21 ARG 14 HH21 ARG 14 50.133 13.692 -11.540 110 HH22 ARG 14 HH22 ARG 14 51.467 12.625 -11.258 111 H PHE 15 HN PHE 15 47.631 16.566 -4.384 112 HA PHE 15 HA PHE 15 45.417 16.899 -5.981 113 HB2 PHE 15 HB2 PHE 15 45.416 16.662 -3.490 114 HB3 PHE 15 HB1 PHE 15 45.850 18.383 -3.360 115 HD1 PHE 15 HD1 PHE 15 43.186 15.970 -4.196 116 HD2 PHE 15 HD2 PHE 15 44.267 20.147 -4.069 117 HE1 PHE 15 HE1 PHE 15 40.787 16.599 -4.439 118 HE2 PHE 15 HE2 PHE 15 41.868 20.776 -4.313 119 HZ PHE 15 HZ PHE 15 40.137 19.001 -4.566 120 H ILE 16 HN ILE 16 47.518 19.553 -4.781 121 HA ILE 16 HA ILE 16 45.933 21.557 -6.247 122 HB ILE 16 HB ILE 16 48.667 21.971 -4.965 123 HG12 ILE 16 HG12 ILE 16 45.888 22.098 -3.699 124 HG13 ILE 16 HG11 ILE 16 47.140 20.888 -3.336 125 HG21 ILE 16 HG21 ILE 16 46.306 23.873 -5.287 126 HG22 ILE 16 HG22 ILE 16 47.594 23.727 -6.505 127 HG23 ILE 16 HG23 ILE 16 47.983 24.281 -4.862 128 HD11 ILE 16 HD1 ILE 16 47.142 23.859 -2.705 129 HD12 ILE 16 HD2 ILE 16 48.654 22.918 -2.739 130 HD13 ILE 16 HD3 ILE 16 47.362 22.487 -1.597 131 H HIS 17 HN HIS 17 49.531 21.152 -6.335 132 HA HIS 17 HA HIS 17 49.460 20.571 -9.211 133 HB2 HIS 17 HB2 HIS 17 48.965 23.046 -9.114 134 HB3 HIS 17 HB1 HIS 17 50.547 23.274 -8.332 135 HD1 HIS 17 HD1 HIS 17 52.206 24.066 -10.010 136 HD2 HIS 17 HD2 HIS 17 49.604 21.175 -11.612 137 HE1 HIS 17 HE1 HIS 17 52.927 23.648 -12.425 138 H GLY 18 HN GLY 18 50.561 18.948 -7.490 139 HA2 GLY 18 HA1 GLY 18 52.581 17.878 -7.083 140 HA3 GLY 18 HA2 GLY 18 53.364 19.044 -8.138 141 H MET 19 HN MET 19 51.712 18.950 -5.046 142 HA MET 19 HA MET 19 52.195 20.228 -3.223 143 HB2 MET 19 HB2 MET 19 53.651 18.086 -3.240 144 HB3 MET 19 HB1 MET 19 54.974 19.258 -3.377 145 HG2 MET 19 HG2 MET 19 54.262 20.343 -1.275 146 HG3 MET 19 HG1 MET 19 52.870 19.244 -1.162 147 HE1 MET 19 HE1 MET 19 54.123 15.975 0.042 148 HE2 MET 19 HE2 MET 19 53.411 16.468 -1.512 149 HE3 MET 19 HE3 MET 19 52.826 17.191 0.005 150 H ILE 20 HN ILE 20 52.742 21.657 -5.749 151 HA ILE 20 HA ILE 20 53.723 23.690 -6.311 152 HB ILE 20 HB ILE 20 53.700 24.047 -3.266 153 HG12 ILE 20 HG12 ILE 20 51.887 25.656 -3.798 154 HG13 ILE 20 HG11 ILE 20 52.061 25.279 -5.527 155 HG21 ILE 20 HG21 ILE 20 54.683 25.891 -5.474 156 HG22 ILE 20 HG22 ILE 20 55.494 25.449 -3.953 157 HG23 ILE 20 HG23 ILE 20 54.085 26.531 -3.923 158 HD11 ILE 20 HD1 ILE 20 50.206 24.044 -4.124 159 HD12 ILE 20 HD2 ILE 20 51.551 23.043 -3.536 160 HD13 ILE 20 HD3 ILE 20 51.177 23.107 -5.277 161 H GLN 21 HN GLN 21 55.078 21.168 -4.577 162 HA GLN 21 HA GLN 21 57.903 22.243 -5.025 163 HB2 GLN 21 HB2 GLN 21 57.137 21.799 -2.604 164 HB3 GLN 21 HB1 GLN 21 57.139 20.075 -3.038 165 HG2 GLN 21 HG2 GLN 21 59.515 20.258 -3.740 166 HG3 GLN 21 HG1 GLN 21 59.513 21.975 -3.273 167 HE21 GLN 21 HE21 GLN 21 60.052 22.450 -1.132 168 HE22 GLN 21 HE22 GLN 21 60.085 21.249 0.165 169 H ASN 22 HN ASN 22 55.635 19.460 -5.364 170 HA ASN 22 HA ASN 22 57.768 17.845 -6.632 171 HB2 ASN 22 HB2 ASN 22 54.764 17.453 -6.288 172 HB3 ASN 22 HB1 ASN 22 55.830 16.296 -7.117 173 HD21 ASN 22 HD21 ASN 22 56.305 14.588 -5.737 174 HD22 ASN 22 HD22 ASN 22 56.662 14.769 -4.016 175 H HIS 23 HN HIS 23 55.102 20.016 -7.305 176 HA HIS 23 HA HIS 23 54.387 20.958 -9.328 177 HB2 HIS 23 HB2 HIS 23 57.296 20.403 -10.028 178 HB3 HIS 23 HB1 HIS 23 56.194 21.338 -11.066 179 HD1 HIS 23 HD1 HIS 23 54.754 23.236 -9.393 180 HD2 HIS 23 HD2 HIS 23 58.741 22.210 -8.535 181 HE1 HIS 23 HE1 HIS 23 55.713 25.082 -7.910 182 H HIS 24 HN HIS 24 54.267 20.602 -11.813 183 HA HIS 24 HA HIS 24 54.610 17.844 -12.718 184 HB2 HIS 24 HB2 HIS 24 52.595 17.596 -11.282 185 HB3 HIS 24 HB1 HIS 24 51.780 18.860 -12.233 186 HD1 HIS 24 HD1 HIS 24 50.008 17.447 -13.390 187 HD2 HIS 24 HD2 HIS 24 53.878 15.858 -13.799 188 HE1 HIS 24 HE1 HIS 24 49.880 15.563 -15.110 Start of MODEL 24 1 H1 PHE 1 HT1 PHE 1 58.187 -2.326 0.587 2 H2 PHE 1 HT2 PHE 1 58.804 -3.519 1.629 3 H3 PHE 1 HT3 PHE 1 59.834 -2.723 0.538 4 HA PHE 1 HA PHE 1 59.090 -2.009 3.151 5 HB2 PHE 1 HB2 PHE 1 61.390 -2.038 2.215 6 HB3 PHE 1 HB1 PHE 1 60.945 -0.714 1.112 7 HD1 PHE 1 HD1 PHE 1 60.389 1.542 2.001 8 HD2 PHE 1 HD2 PHE 1 61.750 -1.635 4.586 9 HE1 PHE 1 HE1 PHE 1 60.866 3.205 3.795 10 HE2 PHE 1 HE2 PHE 1 62.226 0.028 6.380 11 HZ PHE 1 HZ PHE 1 61.854 2.456 5.956 12 H LEU 2 HN LEU 2 59.040 -0.214 0.035 13 HA LEU 2 HA LEU 2 57.992 2.200 1.000 14 HB2 LEU 2 HB2 LEU 2 56.852 2.273 -1.385 15 HB3 LEU 2 HB1 LEU 2 58.624 2.265 -1.254 16 HG LEU 2 HG LEU 2 58.712 -0.125 -1.710 17 HD11 LEU 2 HD11 LEU 2 56.503 -1.292 -2.338 18 HD12 LEU 2 HD12 LEU 2 55.678 0.068 -1.540 19 HD13 LEU 2 HD13 LEU 2 56.767 -0.990 -0.607 20 HD21 LEU 2 HD21 LEU 2 57.746 -0.136 -4.002 21 HD22 LEU 2 HD22 LEU 2 58.581 1.396 -3.649 22 HD23 LEU 2 HD23 LEU 2 56.803 1.318 -3.602 23 H GLY 3 HN GLY 3 55.659 2.954 0.111 24 HA2 GLY 3 HA1 GLY 3 53.443 1.242 0.250 25 HA3 GLY 3 HA2 GLY 3 53.800 1.704 1.927 26 H ALA 4 HN ALA 4 54.600 3.894 -0.660 27 HA ALA 4 HA ALA 4 52.054 5.349 -0.552 28 HB1 ALA 4 HB1 ALA 4 52.899 7.361 0.491 29 HB2 ALA 4 HB2 ALA 4 54.524 6.651 0.646 30 HB3 ALA 4 HB3 ALA 4 53.172 5.995 1.599 31 H LEU 5 HN LEU 5 55.005 4.476 -1.902 32 HA LEU 5 HA LEU 5 56.096 5.097 -3.852 33 HB2 LEU 5 HB2 LEU 5 53.489 6.388 -4.719 34 HB3 LEU 5 HB1 LEU 5 54.720 5.587 -5.725 35 HG LEU 5 HG LEU 5 52.895 4.247 -3.680 36 HD11 LEU 5 HD11 LEU 5 51.826 4.893 -5.838 37 HD12 LEU 5 HD12 LEU 5 51.950 3.126 -5.659 38 HD13 LEU 5 HD13 LEU 5 53.088 3.996 -6.715 39 HD21 LEU 5 HD21 LEU 5 54.965 3.050 -3.598 40 HD22 LEU 5 HD22 LEU 5 55.228 3.220 -5.350 41 HD23 LEU 5 HD23 LEU 5 53.957 2.133 -4.740 42 H ILE 6 HN ILE 6 55.716 7.095 -1.531 43 HA ILE 6 HA ILE 6 56.183 9.355 -1.084 44 HB ILE 6 HB ILE 6 57.917 9.425 -3.604 45 HG12 ILE 6 HG12 ILE 6 58.453 7.731 -1.119 46 HG13 ILE 6 HG11 ILE 6 58.223 7.132 -2.779 47 HG21 ILE 6 HG21 ILE 6 58.658 10.137 -0.738 48 HG22 ILE 6 HG22 ILE 6 57.724 11.260 -1.750 49 HG23 ILE 6 HG23 ILE 6 59.352 10.755 -2.255 50 HD11 ILE 6 HD1 ILE 6 60.225 8.627 -3.426 51 HD12 ILE 6 HD2 ILE 6 60.587 7.179 -2.456 52 HD13 ILE 6 HD3 ILE 6 60.529 8.779 -1.680 53 H LYS 7 HN LYS 7 57.095 11.175 -3.443 54 HA LYS 7 HA LYS 7 55.910 12.951 -4.392 55 HB2 LYS 7 HB2 LYS 7 53.785 10.839 -5.041 56 HB3 LYS 7 HB1 LYS 7 53.937 12.443 -5.798 57 HG2 LYS 7 HG2 LYS 7 56.235 11.770 -6.603 58 HG3 LYS 7 HG1 LYS 7 55.912 10.129 -5.993 59 HD2 LYS 7 HD2 LYS 7 53.966 9.921 -7.472 60 HD3 LYS 7 HD1 LYS 7 54.187 11.596 -8.035 61 HE2 LYS 7 HE2 LYS 7 56.353 11.034 -9.011 62 HE3 LYS 7 HE1 LYS 7 56.268 9.387 -8.340 63 HZ1 LYS 7 HZ1 LYS 7 55.239 8.806 -10.203 64 HZ2 LYS 7 HZ2 LYS 7 55.125 10.417 -10.733 65 HZ3 LYS 7 HZ3 LYS 7 53.916 9.761 -9.736 66 H GLY 8 HN GLY 8 55.893 11.815 -1.936 67 HA2 GLY 8 HA1 GLY 8 54.944 11.523 0.050 68 HA3 GLY 8 HA2 GLY 8 54.593 13.288 -0.119 69 H ALA 9 HN ALA 9 53.378 10.093 0.036 70 HA ALA 9 HA ALA 9 51.274 9.160 -0.147 71 HB1 ALA 9 HB1 ALA 9 51.108 10.214 2.025 72 HB2 ALA 9 HB2 ALA 9 49.553 10.407 1.181 73 HB3 ALA 9 HB3 ALA 9 50.689 11.774 1.282 74 H ILE 10 HN ILE 10 52.032 10.326 -2.524 75 HA ILE 10 HA ILE 10 51.264 11.453 -4.416 76 HB ILE 10 HB ILE 10 48.771 10.550 -4.968 77 HG12 ILE 10 HG12 ILE 10 49.755 8.685 -2.749 78 HG13 ILE 10 HG11 ILE 10 48.364 9.782 -2.627 79 HG21 ILE 10 HG21 ILE 10 50.956 9.842 -6.044 80 HG22 ILE 10 HG22 ILE 10 49.762 8.539 -5.903 81 HG23 ILE 10 HG23 ILE 10 51.127 8.620 -4.764 82 HD11 ILE 10 HD1 ILE 10 47.522 8.528 -4.801 83 HD12 ILE 10 HD2 ILE 10 47.326 7.756 -3.210 84 HD13 ILE 10 HD3 ILE 10 48.659 7.261 -4.278 85 H HIS 11 HN HIS 11 47.944 11.330 -3.292 86 HA HIS 11 HA HIS 11 47.439 14.031 -3.885 87 HB2 HIS 11 HB2 HIS 11 45.412 13.786 -2.526 88 HB3 HIS 11 HB1 HIS 11 45.675 12.349 -3.542 89 HD1 HIS 11 HD1 HIS 11 46.384 10.131 -2.385 90 HD2 HIS 11 HD2 HIS 11 45.855 13.343 0.277 91 HE1 HIS 11 HE1 HIS 11 46.325 9.161 -0.023 92 H GLY 12 HN GLY 12 49.480 12.865 -1.433 93 HA2 GLY 12 HA1 GLY 12 48.814 14.653 0.705 94 HA3 GLY 12 HA2 GLY 12 50.418 13.957 0.396 95 H GLY 13 HN GLY 13 49.680 15.295 -2.429 96 HA2 GLY 13 HA1 GLY 13 49.998 18.118 -1.924 97 HA3 GLY 13 HA2 GLY 13 51.543 17.366 -2.365 98 H ARG 14 HN ARG 14 49.980 15.296 -3.962 99 HA ARG 14 HA ARG 14 50.175 16.661 -6.494 100 HB2 ARG 14 HB2 ARG 14 50.571 14.259 -6.312 101 HB3 ARG 14 HB1 ARG 14 48.916 13.995 -5.725 102 HG2 ARG 14 HG2 ARG 14 49.179 13.439 -8.150 103 HG3 ARG 14 HG1 ARG 14 47.989 14.727 -7.880 104 HD2 ARG 14 HD2 ARG 14 49.426 16.401 -8.724 105 HD3 ARG 14 HD1 ARG 14 50.890 15.428 -8.443 106 HE ARG 14 HE ARG 14 49.169 15.306 -10.803 107 HH11 ARG 14 HH11 ARG 14 51.036 13.386 -8.645 108 HH12 ARG 14 HH12 ARG 14 51.663 12.355 -9.887 109 HH21 ARG 14 HH21 ARG 14 50.109 14.072 -12.466 110 HH22 ARG 14 HH22 ARG 14 51.140 12.743 -12.050 111 H PHE 15 HN PHE 15 47.527 15.946 -4.249 112 HA PHE 15 HA PHE 15 45.240 16.241 -5.739 113 HB2 PHE 15 HB2 PHE 15 45.291 16.022 -3.275 114 HB3 PHE 15 HB1 PHE 15 45.824 17.714 -3.140 115 HD1 PHE 15 HD1 PHE 15 44.278 19.553 -3.481 116 HD2 PHE 15 HD2 PHE 15 43.022 15.479 -4.155 117 HE1 PHE 15 HE1 PHE 15 41.907 20.305 -3.600 118 HE2 PHE 15 HE2 PHE 15 40.649 16.231 -4.275 119 HZ PHE 15 HZ PHE 15 40.086 18.632 -3.916 120 H ILE 16 HN ILE 16 47.450 18.883 -4.787 121 HA ILE 16 HA ILE 16 45.758 20.895 -6.122 122 HB ILE 16 HB ILE 16 48.629 21.371 -5.222 123 HG12 ILE 16 HG12 ILE 16 46.132 21.178 -3.479 124 HG13 ILE 16 HG11 ILE 16 47.573 20.139 -3.384 125 HG21 ILE 16 HG21 ILE 16 46.138 23.113 -5.010 126 HG22 ILE 16 HG22 ILE 16 47.204 23.119 -6.436 127 HG23 ILE 16 HG23 ILE 16 47.837 23.617 -4.851 128 HD11 ILE 16 HD1 ILE 16 47.289 23.063 -2.624 129 HD12 ILE 16 HD2 ILE 16 48.887 22.374 -3.002 130 HD13 ILE 16 HD3 ILE 16 47.927 21.716 -1.656 131 H HIS 17 HN HIS 17 49.307 20.351 -6.553 132 HA HIS 17 HA HIS 17 49.032 19.581 -9.326 133 HB2 HIS 17 HB2 HIS 17 48.371 21.947 -9.597 134 HB3 HIS 17 HB1 HIS 17 49.864 22.461 -8.774 135 HD1 HIS 17 HD1 HIS 17 48.806 20.374 -11.831 136 HD2 HIS 17 HD2 HIS 17 51.968 22.825 -10.527 137 HE1 HIS 17 HE1 HIS 17 50.463 20.574 -13.765 138 H GLY 18 HN GLY 18 50.358 18.144 -7.735 139 HA2 GLY 18 HA1 GLY 18 52.465 17.287 -7.262 140 HA3 GLY 18 HA2 GLY 18 53.110 18.372 -8.492 141 H MET 19 HN MET 19 51.510 18.740 -5.367 142 HA MET 19 HA MET 19 52.086 20.245 -3.753 143 HB2 MET 19 HB2 MET 19 53.504 18.216 -3.384 144 HB3 MET 19 HB1 MET 19 54.816 19.166 -4.096 145 HG2 MET 19 HG2 MET 19 54.939 20.627 -2.246 146 HG3 MET 19 HG1 MET 19 53.259 20.309 -1.752 147 HE1 MET 19 HE1 MET 19 55.527 20.550 0.135 148 HE2 MET 19 HE2 MET 19 55.558 19.119 1.193 149 HE3 MET 19 HE3 MET 19 54.014 19.931 0.840 150 H ILE 20 HN ILE 20 52.499 21.205 -6.553 151 HA ILE 20 HA ILE 20 53.362 23.143 -7.500 152 HB ILE 20 HB ILE 20 53.207 24.009 -4.571 153 HG12 ILE 20 HG12 ILE 20 51.491 25.524 -5.438 154 HG13 ILE 20 HG11 ILE 20 51.870 25.045 -7.110 155 HG21 ILE 20 HG21 ILE 20 55.143 25.222 -5.323 156 HG22 ILE 20 HG22 ILE 20 53.775 26.350 -5.463 157 HG23 ILE 20 HG23 ILE 20 54.412 25.538 -6.913 158 HD11 ILE 20 HD1 ILE 20 49.833 23.909 -6.063 159 HD12 ILE 20 HD2 ILE 20 50.968 23.054 -4.991 160 HD13 ILE 20 HD3 ILE 20 51.051 22.816 -6.754 161 H GLN 21 HN GLN 21 54.886 21.060 -5.344 162 HA GLN 21 HA GLN 21 57.639 22.207 -6.020 163 HB2 GLN 21 HB2 GLN 21 56.751 20.384 -3.751 164 HB3 GLN 21 HB1 GLN 21 58.441 20.775 -4.123 165 HG2 GLN 21 HG2 GLN 21 56.324 22.904 -3.613 166 HG3 GLN 21 HG1 GLN 21 57.347 22.227 -2.324 167 HE21 GLN 21 HE21 GLN 21 59.821 22.319 -2.809 168 HE22 GLN 21 HE22 GLN 21 60.394 23.769 -3.640 169 H ASN 22 HN ASN 22 55.550 19.272 -6.013 170 HA ASN 22 HA ASN 22 57.695 17.711 -7.329 171 HB2 ASN 22 HB2 ASN 22 54.788 17.159 -6.591 172 HB3 ASN 22 HB1 ASN 22 55.775 16.023 -7.541 173 HD21 ASN 22 HD21 ASN 22 54.845 15.110 -5.078 174 HD22 ASN 22 HD22 ASN 22 56.180 15.058 -3.923 175 H HIS 23 HN HIS 23 54.805 19.633 -7.922 176 HA HIS 23 HA HIS 23 53.725 20.153 -9.946 177 HB2 HIS 23 HB2 HIS 23 55.199 21.152 -11.613 178 HB3 HIS 23 HB1 HIS 23 55.787 21.554 -9.984 179 HD1 HIS 23 HD1 HIS 23 57.896 20.217 -9.085 180 HD2 HIS 23 HD2 HIS 23 57.024 19.712 -13.166 181 HE1 HIS 23 HE1 HIS 23 59.929 19.111 -10.167 182 H HIS 24 HN HIS 24 54.678 19.775 -12.661 183 HA HIS 24 HA HIS 24 54.357 18.222 -14.353 184 HB2 HIS 24 HB2 HIS 24 56.540 17.412 -13.515 185 HB3 HIS 24 HB1 HIS 24 55.698 16.352 -12.359 186 HD1 HIS 24 HD1 HIS 24 56.382 16.822 -16.061 187 HD2 HIS 24 HD2 HIS 24 54.604 14.009 -13.489 188 HE1 HIS 24 HE1 HIS 24 55.894 14.728 -17.441 Start of MODEL 25 1 H1 PHE 1 HT1 PHE 1 55.867 2.196 -13.215 2 H2 PHE 1 HT2 PHE 1 55.528 2.132 -11.551 3 H3 PHE 1 HT3 PHE 1 56.827 1.243 -12.194 4 HA PHE 1 HA PHE 1 58.199 2.905 -11.995 5 HB2 PHE 1 HB2 PHE 1 56.018 4.605 -13.268 6 HB3 PHE 1 HB1 PHE 1 57.705 5.110 -13.012 7 HD1 PHE 1 HD1 PHE 1 59.558 4.004 -14.244 8 HD2 PHE 1 HD2 PHE 1 55.427 3.018 -15.014 9 HE1 PHE 1 HE1 PHE 1 60.221 2.892 -16.373 10 HE2 PHE 1 HE2 PHE 1 56.091 1.905 -17.143 11 HZ PHE 1 HZ PHE 1 58.495 1.781 -17.785 12 H LEU 2 HN LEU 2 57.357 2.287 -9.692 13 HA LEU 2 HA LEU 2 56.797 3.013 -7.559 14 HB2 LEU 2 HB2 LEU 2 57.478 5.809 -8.532 15 HB3 LEU 2 HB1 LEU 2 57.681 5.124 -6.902 16 HG LEU 2 HG LEU 2 59.201 4.287 -9.414 17 HD11 LEU 2 HD11 LEU 2 59.818 6.498 -8.354 18 HD12 LEU 2 HD12 LEU 2 61.126 5.292 -8.327 19 HD13 LEU 2 HD13 LEU 2 60.183 5.616 -6.852 20 HD21 LEU 2 HD21 LEU 2 60.561 2.981 -7.625 21 HD22 LEU 2 HD22 LEU 2 58.978 2.313 -8.084 22 HD23 LEU 2 HD23 LEU 2 59.154 3.217 -6.560 23 H GLY 3 HN GLY 3 55.913 5.892 -7.076 24 HA2 GLY 3 HA1 GLY 3 53.934 7.114 -7.073 25 HA3 GLY 3 HA2 GLY 3 53.351 6.138 -8.437 26 H ALA 4 HN ALA 4 54.308 5.427 -5.048 27 HA ALA 4 HA ALA 4 51.568 4.752 -4.306 28 HB1 ALA 4 HB1 ALA 4 51.980 2.743 -5.563 29 HB2 ALA 4 HB2 ALA 4 52.096 2.333 -3.835 30 HB3 ALA 4 HB3 ALA 4 53.576 2.532 -4.805 31 H LEU 5 HN LEU 5 53.982 6.341 -3.482 32 HA LEU 5 HA LEU 5 53.757 5.785 -0.640 33 HB2 LEU 5 HB2 LEU 5 55.350 4.020 -1.099 34 HB3 LEU 5 HB1 LEU 5 56.354 5.107 -2.080 35 HG LEU 5 HG LEU 5 56.984 6.406 -0.123 36 HD11 LEU 5 HD11 LEU 5 55.014 6.508 1.211 37 HD12 LEU 5 HD12 LEU 5 56.139 5.534 2.181 38 HD13 LEU 5 HD13 LEU 5 54.844 4.738 1.255 39 HD21 LEU 5 HD21 LEU 5 58.226 4.729 1.109 40 HD22 LEU 5 HD22 LEU 5 58.128 4.192 -0.585 41 HD23 LEU 5 HD23 LEU 5 57.070 3.458 0.644 42 H ILE 6 HN ILE 6 55.963 7.204 -3.101 43 HA ILE 6 HA ILE 6 56.234 9.672 -1.395 44 HB ILE 6 HB ILE 6 57.932 10.345 -3.080 45 HG12 ILE 6 HG12 ILE 6 57.114 7.758 -4.490 46 HG13 ILE 6 HG11 ILE 6 56.884 9.408 -5.108 47 HG21 ILE 6 HG21 ILE 6 59.591 8.705 -2.539 48 HG22 ILE 6 HG22 ILE 6 58.377 7.408 -2.417 49 HG23 ILE 6 HG23 ILE 6 58.440 8.690 -1.184 50 HD11 ILE 6 HD1 ILE 6 59.472 9.645 -4.855 51 HD12 ILE 6 HD2 ILE 6 58.850 8.666 -6.205 52 HD13 ILE 6 HD3 ILE 6 59.474 7.868 -4.744 53 H LYS 7 HN LYS 7 56.728 11.310 -3.894 54 HA LYS 7 HA LYS 7 55.389 12.981 -4.814 55 HB2 LYS 7 HB2 LYS 7 53.556 10.571 -5.233 56 HB3 LYS 7 HB1 LYS 7 53.063 12.214 -5.704 57 HG2 LYS 7 HG2 LYS 7 55.027 12.409 -7.174 58 HG3 LYS 7 HG1 LYS 7 55.585 10.795 -6.670 59 HD2 LYS 7 HD2 LYS 7 53.515 9.787 -7.581 60 HD3 LYS 7 HD1 LYS 7 52.951 11.399 -8.086 61 HE2 LYS 7 HE2 LYS 7 55.544 10.100 -9.027 62 HE3 LYS 7 HE1 LYS 7 54.026 10.111 -9.954 63 HZ1 LYS 7 HZ1 LYS 7 54.864 12.013 -10.770 64 HZ2 LYS 7 HZ2 LYS 7 55.922 12.255 -9.464 65 HZ3 LYS 7 HZ3 LYS 7 54.288 12.700 -9.331 66 H GLY 8 HN GLY 8 55.689 11.996 -2.312 67 HA2 GLY 8 HA1 GLY 8 54.989 11.815 -0.216 68 HA3 GLY 8 HA2 GLY 8 54.521 13.542 -0.457 69 H ALA 9 HN ALA 9 53.493 10.205 -0.327 70 HA ALA 9 HA ALA 9 51.432 9.220 -0.073 71 HB1 ALA 9 HB1 ALA 9 50.747 11.941 1.097 72 HB2 ALA 9 HB2 ALA 9 51.375 10.531 1.984 73 HB3 ALA 9 HB3 ALA 9 49.750 10.477 1.259 74 H ILE 10 HN ILE 10 51.982 10.188 -2.605 75 HA ILE 10 HA ILE 10 50.873 10.419 -4.603 76 HB ILE 10 HB ILE 10 48.774 9.477 -2.926 77 HG12 ILE 10 HG12 ILE 10 48.697 9.979 -5.936 78 HG13 ILE 10 HG11 ILE 10 49.484 8.591 -5.151 79 HG21 ILE 10 HG21 ILE 10 47.873 11.838 -2.846 80 HG22 ILE 10 HG22 ILE 10 46.761 10.668 -3.576 81 HG23 ILE 10 HG23 ILE 10 47.692 11.774 -4.613 82 HD11 ILE 10 HD1 ILE 10 47.385 7.691 -5.707 83 HD12 ILE 10 HD2 ILE 10 46.530 9.219 -5.402 84 HD13 ILE 10 HD3 ILE 10 47.100 8.230 -4.036 85 H HIS 11 HN HIS 11 49.825 12.572 -1.985 86 HA HIS 11 HA HIS 11 50.671 14.913 -3.498 87 HB2 HIS 11 HB2 HIS 11 47.705 14.335 -3.123 88 HB3 HIS 11 HB1 HIS 11 48.324 15.991 -3.319 89 HD1 HIS 11 HD1 HIS 11 46.778 13.566 -5.303 90 HD2 HIS 11 HD2 HIS 11 50.369 15.702 -5.780 91 HE1 HIS 11 HE1 HIS 11 47.346 13.556 -7.794 92 H GLY 12 HN GLY 12 49.514 13.203 -0.762 93 HA2 GLY 12 HA1 GLY 12 50.763 14.315 1.289 94 HA3 GLY 12 HA2 GLY 12 49.580 15.610 1.004 95 H GLY 13 HN GLY 13 48.768 12.275 0.325 96 HA2 GLY 13 HA1 GLY 13 47.251 10.846 1.328 97 HA3 GLY 13 HA2 GLY 13 47.718 11.562 2.886 98 H ARG 14 HN ARG 14 45.840 12.346 -0.068 99 HA ARG 14 HA ARG 14 43.483 12.969 1.555 100 HB2 ARG 14 HB2 ARG 14 45.129 15.041 1.585 101 HB3 ARG 14 HB1 ARG 14 44.542 15.304 -0.072 102 HG2 ARG 14 HG2 ARG 14 42.800 15.084 2.429 103 HG3 ARG 14 HG1 ARG 14 43.197 16.587 1.565 104 HD2 ARG 14 HD2 ARG 14 42.180 15.389 -0.531 105 HD3 ARG 14 HD1 ARG 14 41.451 14.281 0.657 106 HE ARG 14 HE ARG 14 40.786 16.773 1.643 107 HH11 ARG 14 HH11 ARG 14 40.378 18.426 -0.378 108 HH12 ARG 14 HH12 ARG 14 39.023 17.877 -1.307 109 HH21 ARG 14 HH21 ARG 14 39.094 14.664 -0.001 110 HH22 ARG 14 HH22 ARG 14 38.295 15.748 -1.092 111 H PHE 15 HN PHE 15 44.994 13.807 -1.606 112 HA PHE 15 HA PHE 15 42.651 13.739 -3.165 113 HB2 PHE 15 HB2 PHE 15 44.937 14.462 -3.924 114 HB3 PHE 15 HB1 PHE 15 45.398 12.745 -4.022 115 HD1 PHE 15 HD1 PHE 15 43.047 15.329 -5.355 116 HD2 PHE 15 HD2 PHE 15 44.684 11.368 -5.863 117 HE1 PHE 15 HE1 PHE 15 42.005 15.187 -7.614 118 HE2 PHE 15 HE2 PHE 15 43.643 11.227 -8.122 119 HZ PHE 15 HZ PHE 15 42.393 13.180 -9.037 120 H ILE 16 HN ILE 16 41.300 12.093 -2.345 121 HA ILE 16 HA ILE 16 40.592 9.897 -1.987 122 HB ILE 16 HB ILE 16 39.760 10.328 -4.186 123 HG12 ILE 16 HG12 ILE 16 41.039 7.629 -4.711 124 HG13 ILE 16 HG11 ILE 16 40.041 7.802 -3.249 125 HG21 ILE 16 HG21 ILE 16 41.150 9.748 -6.233 126 HG22 ILE 16 HG22 ILE 16 42.556 9.616 -5.156 127 HG23 ILE 16 HG23 ILE 16 41.705 11.168 -5.319 128 HD11 ILE 16 HD1 ILE 16 39.158 8.467 -6.094 129 HD12 ILE 16 HD2 ILE 16 38.159 8.626 -4.632 130 HD13 ILE 16 HD3 ILE 16 38.695 7.017 -5.172 131 H HIS 17 HN HIS 17 42.567 9.639 -0.577 132 HA HIS 17 HA HIS 17 43.698 7.024 -1.139 133 HB2 HIS 17 HB2 HIS 17 45.190 8.420 -2.559 134 HB3 HIS 17 HB1 HIS 17 45.605 9.400 -1.133 135 HD1 HIS 17 HD1 HIS 17 48.004 8.728 -0.708 136 HD2 HIS 17 HD2 HIS 17 45.478 5.415 -1.269 137 HE1 HIS 17 HE1 HIS 17 49.356 6.634 -0.144 138 H GLY 18 HN GLY 18 43.076 9.818 0.720 139 HA2 GLY 18 HA1 GLY 18 43.475 8.316 3.212 140 HA3 GLY 18 HA2 GLY 18 44.555 9.711 3.011 141 H MET 19 HN MET 19 41.126 8.976 2.330 142 HA MET 19 HA MET 19 39.978 10.712 4.299 143 HB2 MET 19 HB2 MET 19 41.031 12.398 2.956 144 HB3 MET 19 HB1 MET 19 40.215 11.763 1.537 145 HG2 MET 19 HG2 MET 19 38.039 12.383 2.418 146 HG3 MET 19 HG1 MET 19 38.750 12.790 3.998 147 HE1 MET 19 HE1 MET 19 37.206 14.749 3.669 148 HE2 MET 19 HE2 MET 19 36.854 14.788 1.925 149 HE3 MET 19 HE3 MET 19 37.568 16.211 2.721 150 H ILE 20 HN ILE 20 39.584 9.966 0.799 151 HA ILE 20 HA ILE 20 36.776 9.222 1.147 152 HB ILE 20 HB ILE 20 38.866 8.603 -1.008 153 HG12 ILE 20 HG12 ILE 20 37.518 10.064 -2.395 154 HG13 ILE 20 HG11 ILE 20 36.222 10.114 -1.179 155 HG21 ILE 20 HG21 ILE 20 36.004 7.602 -0.734 156 HG22 ILE 20 HG22 ILE 20 37.480 6.639 -0.979 157 HG23 ILE 20 HG23 ILE 20 36.855 7.657 -2.297 158 HD11 ILE 20 HD1 ILE 20 37.533 11.426 0.322 159 HD12 ILE 20 HD2 ILE 20 37.801 12.155 -1.279 160 HD13 ILE 20 HD3 ILE 20 39.038 11.091 -0.567 161 H GLN 21 HN GLN 21 39.768 8.259 2.098 162 HA GLN 21 HA GLN 21 38.914 5.509 2.866 163 HB2 GLN 21 HB2 GLN 21 41.651 6.559 2.033 164 HB3 GLN 21 HB1 GLN 21 41.385 4.990 2.831 165 HG2 GLN 21 HG2 GLN 21 39.908 4.276 0.995 166 HG3 GLN 21 HG1 GLN 21 40.102 5.860 0.204 167 HE21 GLN 21 HE21 GLN 21 42.890 4.502 1.887 168 HE22 GLN 21 HE22 GLN 21 43.776 4.040 0.430 169 H ASN 22 HN ASN 22 40.229 8.807 3.771 170 HA ASN 22 HA ASN 22 40.598 7.605 6.582 171 HB2 ASN 22 HB2 ASN 22 42.605 8.742 5.373 172 HB3 ASN 22 HB1 ASN 22 41.761 10.265 5.726 173 HD21 ASN 22 HD21 ASN 22 40.630 8.664 8.243 174 HD22 ASN 22 HD22 ASN 22 41.948 8.857 9.403 175 H HIS 23 HN HIS 23 38.164 8.778 5.051 176 HA HIS 23 HA HIS 23 36.437 10.301 5.487 177 HB2 HIS 23 HB2 HIS 23 37.060 9.243 8.270 178 HB3 HIS 23 HB1 HIS 23 35.537 10.023 7.778 179 HD1 HIS 23 HD1 HIS 23 36.959 6.762 8.195 180 HD2 HIS 23 HD2 HIS 23 34.549 8.513 5.229 181 HE1 HIS 23 HE1 HIS 23 35.800 4.864 6.938 182 H HIS 24 HN HIS 24 39.260 11.443 5.749 183 HA HIS 24 HA HIS 24 38.437 14.056 6.664 184 HB2 HIS 24 HB2 HIS 24 38.702 12.996 8.883 185 HB3 HIS 24 HB1 HIS 24 40.370 12.538 8.461 186 HD1 HIS 24 HD1 HIS 24 42.069 14.568 7.957 187 HD2 HIS 24 HD2 HIS 24 38.466 15.583 9.869 188 HE1 HIS 24 HE1 HIS 24 42.352 16.918 8.915 Start of MODEL 26 1 H1 PHE 1 HT1 PHE 1 58.200 -0.610 -10.977 2 H2 PHE 1 HT2 PHE 1 57.055 -0.585 -9.721 3 H3 PHE 1 HT3 PHE 1 58.514 0.271 -9.564 4 HA PHE 1 HA PHE 1 57.895 1.697 -11.391 5 HB2 PHE 1 HB2 PHE 1 55.566 1.605 -12.211 6 HB3 PHE 1 HB1 PHE 1 56.434 0.090 -12.557 7 HD1 PHE 1 HD1 PHE 1 56.107 -1.908 -11.029 8 HD2 PHE 1 HD2 PHE 1 53.630 1.620 -10.787 9 HE1 PHE 1 HE1 PHE 1 54.397 -3.195 -9.752 10 HE2 PHE 1 HE2 PHE 1 51.922 0.332 -9.511 11 HZ PHE 1 HZ PHE 1 52.334 -2.058 -8.941 12 H LEU 2 HN LEU 2 56.284 0.448 -8.530 13 HA LEU 2 HA LEU 2 55.329 1.536 -6.720 14 HB2 LEU 2 HB2 LEU 2 56.809 4.036 -7.598 15 HB3 LEU 2 HB1 LEU 2 56.393 3.515 -5.949 16 HG LEU 2 HG LEU 2 58.404 2.195 -7.826 17 HD11 LEU 2 HD11 LEU 2 58.794 3.498 -5.100 18 HD12 LEU 2 HD12 LEU 2 59.058 4.344 -6.644 19 HD13 LEU 2 HD13 LEU 2 60.057 2.935 -6.219 20 HD21 LEU 2 HD21 LEU 2 58.868 0.801 -5.693 21 HD22 LEU 2 HD22 LEU 2 57.391 0.404 -6.600 22 HD23 LEU 2 HD23 LEU 2 57.286 1.375 -5.112 23 H GLY 3 HN GLY 3 53.803 3.198 -6.029 24 HA2 GLY 3 HA1 GLY 3 52.671 5.026 -7.960 25 HA3 GLY 3 HA2 GLY 3 51.690 3.553 -7.827 26 H ALA 4 HN ALA 4 53.234 3.954 -4.918 27 HA ALA 4 HA ALA 4 51.562 6.020 -3.743 28 HB1 ALA 4 HB1 ALA 4 50.854 3.129 -3.134 29 HB2 ALA 4 HB2 ALA 4 49.854 4.263 -4.074 30 HB3 ALA 4 HB3 ALA 4 50.167 4.569 -2.348 31 H LEU 5 HN LEU 5 53.859 6.468 -3.252 32 HA LEU 5 HA LEU 5 54.460 5.534 -0.553 33 HB2 LEU 5 HB2 LEU 5 55.363 3.649 -1.915 34 HB3 LEU 5 HB1 LEU 5 56.384 4.801 -2.801 35 HG LEU 5 HG LEU 5 57.494 5.438 -0.646 36 HD11 LEU 5 HD11 LEU 5 57.093 3.603 1.235 37 HD12 LEU 5 HD12 LEU 5 55.515 3.403 0.438 38 HD13 LEU 5 HD13 LEU 5 55.983 4.983 1.110 39 HD21 LEU 5 HD21 LEU 5 58.780 3.338 -0.421 40 HD22 LEU 5 HD22 LEU 5 58.437 3.689 -2.132 41 HD23 LEU 5 HD23 LEU 5 57.494 2.451 -1.270 42 H ILE 6 HN ILE 6 55.084 7.410 -3.424 43 HA ILE 6 HA ILE 6 56.275 9.567 -1.706 44 HB ILE 6 HB ILE 6 58.004 9.919 -3.689 45 HG12 ILE 6 HG12 ILE 6 58.691 7.854 -4.835 46 HG13 ILE 6 HG11 ILE 6 57.413 6.941 -4.001 47 HG21 ILE 6 HG21 ILE 6 59.610 8.337 -2.607 48 HG22 ILE 6 HG22 ILE 6 58.247 7.601 -1.731 49 HG23 ILE 6 HG23 ILE 6 58.689 9.298 -1.427 50 HD11 ILE 6 HD1 ILE 6 56.740 9.364 -5.707 51 HD12 ILE 6 HD2 ILE 6 55.684 8.017 -5.214 52 HD13 ILE 6 HD3 ILE 6 56.949 7.754 -6.436 53 H LYS 7 HN LYS 7 56.960 11.235 -4.031 54 HA LYS 7 HA LYS 7 55.748 12.941 -5.052 55 HB2 LYS 7 HB2 LYS 7 54.334 10.457 -5.931 56 HB3 LYS 7 HB1 LYS 7 53.255 11.865 -5.860 57 HG2 LYS 7 HG2 LYS 7 54.174 11.768 -8.093 58 HG3 LYS 7 HG1 LYS 7 54.960 13.131 -7.262 59 HD2 LYS 7 HD2 LYS 7 56.858 11.533 -6.665 60 HD3 LYS 7 HD1 LYS 7 56.101 10.350 -7.760 61 HE2 LYS 7 HE2 LYS 7 57.824 11.585 -8.981 62 HE3 LYS 7 HE1 LYS 7 56.222 12.043 -9.606 63 HZ1 LYS 7 HZ1 LYS 7 56.673 14.136 -9.090 64 HZ2 LYS 7 HZ2 LYS 7 58.193 13.693 -8.472 65 HZ3 LYS 7 HZ3 LYS 7 56.835 13.723 -7.453 66 H GLY 8 HN GLY 8 55.834 11.883 -2.564 67 HA2 GLY 8 HA1 GLY 8 54.987 11.685 -0.528 68 HA3 GLY 8 HA2 GLY 8 54.565 13.422 -0.770 69 H ALA 9 HN ALA 9 53.474 10.134 -0.631 70 HA ALA 9 HA ALA 9 51.377 9.154 -0.785 71 HB1 ALA 9 HB1 ALA 9 49.775 10.186 0.850 72 HB2 ALA 9 HB2 ALA 9 50.907 11.550 1.017 73 HB3 ALA 9 HB3 ALA 9 51.407 9.912 1.503 74 H ILE 10 HN ILE 10 51.821 10.604 -3.084 75 HA ILE 10 HA ILE 10 50.807 11.917 -4.728 76 HB ILE 10 HB ILE 10 48.280 10.991 -5.072 77 HG12 ILE 10 HG12 ILE 10 49.586 8.924 -3.234 78 HG13 ILE 10 HG11 ILE 10 48.202 9.947 -2.805 79 HG21 ILE 10 HG21 ILE 10 50.694 9.152 -5.395 80 HG22 ILE 10 HG22 ILE 10 50.320 10.501 -6.492 81 HG23 ILE 10 HG23 ILE 10 49.195 9.137 -6.351 82 HD11 ILE 10 HD1 ILE 10 48.330 7.644 -4.764 83 HD12 ILE 10 HD2 ILE 10 47.111 8.923 -4.990 84 HD13 ILE 10 HD3 ILE 10 47.136 7.969 -3.488 85 H HIS 11 HN HIS 11 47.670 11.546 -3.179 86 HA HIS 11 HA HIS 11 47.004 14.267 -3.413 87 HB2 HIS 11 HB2 HIS 11 45.295 13.751 -1.608 88 HB3 HIS 11 HB1 HIS 11 45.271 12.672 -3.020 89 HD1 HIS 11 HD1 HIS 11 45.353 10.228 -2.521 90 HD2 HIS 11 HD2 HIS 11 46.852 12.542 0.651 91 HE1 HIS 11 HE1 HIS 11 45.953 8.624 -0.625 92 H GLY 12 HN GLY 12 49.391 12.917 -1.412 93 HA2 GLY 12 HA1 GLY 12 49.043 14.519 0.948 94 HA3 GLY 12 HA2 GLY 12 50.571 13.813 0.381 95 H GLY 13 HN GLY 13 49.453 15.444 -2.189 96 HA2 GLY 13 HA1 GLY 13 50.066 18.185 -1.439 97 HA3 GLY 13 HA2 GLY 13 51.399 17.403 -2.315 98 H ARG 14 HN ARG 14 49.581 15.663 -3.853 99 HA ARG 14 HA ARG 14 49.210 17.380 -6.116 100 HB2 ARG 14 HB2 ARG 14 49.550 14.919 -6.255 101 HB3 ARG 14 HB1 ARG 14 47.949 14.670 -5.533 102 HG2 ARG 14 HG2 ARG 14 47.800 14.448 -7.971 103 HG3 ARG 14 HG1 ARG 14 46.910 15.893 -7.453 104 HD2 ARG 14 HD2 ARG 14 48.509 17.360 -8.358 105 HD3 ARG 14 HD1 ARG 14 49.821 16.160 -8.257 106 HE ARG 14 HE ARG 14 47.935 16.466 -10.467 107 HH11 ARG 14 HH11 ARG 14 47.445 13.667 -9.888 108 HH12 ARG 14 HH12 ARG 14 48.754 12.843 -10.668 109 HH21 ARG 14 HH21 ARG 14 50.717 15.685 -10.967 110 HH22 ARG 14 HH22 ARG 14 50.606 13.985 -11.278 111 H PHE 15 HN PHE 15 46.987 16.154 -3.605 112 HA PHE 15 HA PHE 15 44.497 16.806 -4.547 113 HB2 PHE 15 HB2 PHE 15 45.063 15.992 -2.241 114 HB3 PHE 15 HB1 PHE 15 45.500 17.660 -1.809 115 HD1 PHE 15 HD1 PHE 15 42.736 15.350 -2.622 116 HD2 PHE 15 HD2 PHE 15 43.788 19.435 -1.707 117 HE1 PHE 15 HE1 PHE 15 40.338 15.871 -2.192 118 HE2 PHE 15 HE2 PHE 15 41.390 19.955 -1.276 119 HZ PHE 15 HZ PHE 15 39.661 18.184 -1.560 120 H ILE 16 HN ILE 16 46.775 19.180 -3.092 121 HA ILE 16 HA ILE 16 45.009 21.415 -3.526 122 HB ILE 16 HB ILE 16 48.047 21.589 -3.377 123 HG12 ILE 16 HG12 ILE 16 46.991 20.120 -1.519 124 HG13 ILE 16 HG11 ILE 16 47.997 21.484 -1.005 125 HG21 ILE 16 HG21 ILE 16 45.757 23.467 -2.673 126 HG22 ILE 16 HG22 ILE 16 47.013 23.688 -3.912 127 HG23 ILE 16 HG23 ILE 16 47.445 23.750 -2.187 128 HD11 ILE 16 HD1 ILE 16 46.079 22.809 -0.426 129 HD12 ILE 16 HD2 ILE 16 45.794 21.191 0.256 130 HD13 ILE 16 HD3 ILE 16 44.964 21.682 -1.235 131 H HIS 17 HN HIS 17 48.232 21.040 -5.086 132 HA HIS 17 HA HIS 17 47.124 21.116 -7.764 133 HB2 HIS 17 HB2 HIS 17 46.670 23.473 -7.041 134 HB3 HIS 17 HB1 HIS 17 48.413 23.683 -6.749 135 HD1 HIS 17 HD1 HIS 17 46.672 21.902 -9.672 136 HD2 HIS 17 HD2 HIS 17 49.097 25.256 -8.946 137 HE1 HIS 17 HE1 HIS 17 47.353 22.855 -11.943 138 H GLY 18 HN GLY 18 48.707 19.259 -7.127 139 HA2 GLY 18 HA1 GLY 18 50.753 18.291 -7.668 140 HA3 GLY 18 HA2 GLY 18 51.175 19.765 -8.534 141 H MET 19 HN MET 19 50.532 18.825 -5.185 142 HA MET 19 HA MET 19 51.664 19.575 -3.354 143 HB2 MET 19 HB2 MET 19 52.934 17.611 -4.209 144 HB3 MET 19 HB1 MET 19 54.066 18.791 -4.899 145 HG2 MET 19 HG2 MET 19 54.921 19.402 -2.800 146 HG3 MET 19 HG1 MET 19 53.419 18.984 -1.942 147 HE1 MET 19 HE1 MET 19 55.635 16.527 -0.145 148 HE2 MET 19 HE2 MET 19 54.074 17.377 -0.063 149 HE3 MET 19 HE3 MET 19 55.563 18.284 -0.419 150 H ILE 20 HN ILE 20 51.445 21.614 -5.590 151 HA ILE 20 HA ILE 20 52.219 23.788 -5.861 152 HB ILE 20 HB ILE 20 53.482 23.588 -3.082 153 HG12 ILE 20 HG12 ILE 20 51.225 22.881 -2.714 154 HG13 ILE 20 HG11 ILE 20 51.254 24.601 -2.286 155 HG21 ILE 20 HG21 ILE 20 52.593 25.868 -4.886 156 HG22 ILE 20 HG22 ILE 20 54.178 25.582 -4.145 157 HG23 ILE 20 HG23 ILE 20 52.810 26.093 -3.136 158 HD11 ILE 20 HD1 ILE 20 50.442 25.062 -4.689 159 HD12 ILE 20 HD2 ILE 20 49.280 24.280 -3.601 160 HD13 ILE 20 HD3 ILE 20 50.148 23.313 -4.814 161 H GLN 21 HN GLN 21 53.991 21.012 -5.235 162 HA GLN 21 HA GLN 21 56.599 22.301 -6.147 163 HB2 GLN 21 HB2 GLN 21 56.533 21.107 -3.879 164 HB3 GLN 21 HB1 GLN 21 56.272 19.600 -4.786 165 HG2 GLN 21 HG2 GLN 21 58.641 19.758 -4.439 166 HG3 GLN 21 HG1 GLN 21 58.364 20.201 -6.140 167 HE21 GLN 21 HE21 GLN 21 58.359 21.891 -2.906 168 HE22 GLN 21 HE22 GLN 21 59.262 23.290 -3.494 169 H ASN 22 HN ASN 22 54.235 19.627 -6.646 170 HA ASN 22 HA ASN 22 55.805 18.638 -8.957 171 HB2 ASN 22 HB2 ASN 22 54.598 16.990 -7.603 172 HB3 ASN 22 HB1 ASN 22 53.079 17.890 -7.805 173 HD21 ASN 22 HD21 ASN 22 51.769 16.735 -9.224 174 HD22 ASN 22 HD22 ASN 22 52.336 16.015 -10.735 175 H HIS 23 HN HIS 23 53.142 20.710 -8.011 176 HA HIS 23 HA HIS 23 51.798 22.131 -9.296 177 HB2 HIS 23 HB2 HIS 23 54.237 21.970 -11.108 178 HB3 HIS 23 HB1 HIS 23 52.872 23.073 -11.398 179 HD1 HIS 23 HD1 HIS 23 52.319 24.814 -9.398 180 HD2 HIS 23 HD2 HIS 23 56.096 22.973 -9.312 181 HE1 HIS 23 HE1 HIS 23 53.779 26.149 -7.782 182 H HIS 24 HN HIS 24 50.708 22.447 -11.506 183 HA HIS 24 HA HIS 24 49.255 21.493 -13.046 184 HB2 HIS 24 HB2 HIS 24 51.620 19.622 -13.472 185 HB3 HIS 24 HB1 HIS 24 50.250 19.839 -14.589 186 HD1 HIS 24 HD1 HIS 24 50.873 23.057 -13.108 187 HD2 HIS 24 HD2 HIS 24 52.773 20.817 -16.116 188 HE1 HIS 24 HE1 HIS 24 52.237 24.687 -14.525 Start of MODEL 27 1 H1 PHE 1 HT1 PHE 1 50.325 1.778 -4.905 2 H2 PHE 1 HT2 PHE 1 51.567 2.626 -4.113 3 H3 PHE 1 HT3 PHE 1 50.473 1.683 -3.219 4 HA PHE 1 HA PHE 1 52.485 0.504 -3.355 5 HB2 PHE 1 HB2 PHE 1 50.335 -0.535 -5.242 6 HB3 PHE 1 HB1 PHE 1 51.708 -1.508 -4.664 7 HD1 PHE 1 HD1 PHE 1 48.488 0.033 -3.771 8 HD2 PHE 1 HD2 PHE 1 51.954 -2.037 -2.241 9 HE1 PHE 1 HE1 PHE 1 47.263 -0.458 -1.657 10 HE2 PHE 1 HE2 PHE 1 50.728 -2.526 -0.128 11 HZ PHE 1 HZ PHE 1 48.367 -1.778 0.144 12 H LEU 2 HN LEU 2 52.613 2.796 -5.324 13 HA LEU 2 HA LEU 2 53.654 1.648 -7.796 14 HB2 LEU 2 HB2 LEU 2 54.221 4.447 -6.767 15 HB3 LEU 2 HB1 LEU 2 54.078 3.886 -8.450 16 HG LEU 2 HG LEU 2 51.831 4.070 -6.394 17 HD11 LEU 2 HD11 LEU 2 52.383 5.554 -9.003 18 HD12 LEU 2 HD12 LEU 2 52.516 6.234 -7.363 19 HD13 LEU 2 HD13 LEU 2 50.927 5.746 -7.998 20 HD21 LEU 2 HD21 LEU 2 50.419 3.468 -8.475 21 HD22 LEU 2 HD22 LEU 2 51.348 2.143 -7.736 22 HD23 LEU 2 HD23 LEU 2 51.945 2.929 -9.218 23 H GLY 3 HN GLY 3 55.935 2.567 -8.504 24 HA2 GLY 3 HA1 GLY 3 57.841 1.171 -6.826 25 HA3 GLY 3 HA2 GLY 3 58.197 2.088 -8.302 26 H ALA 4 HN ALA 4 56.389 3.895 -6.059 27 HA ALA 4 HA ALA 4 58.650 4.841 -4.457 28 HB1 ALA 4 HB1 ALA 4 59.197 5.988 -6.528 29 HB2 ALA 4 HB2 ALA 4 58.569 7.168 -5.353 30 HB3 ALA 4 HB3 ALA 4 57.529 6.588 -6.677 31 H LEU 5 HN LEU 5 57.314 4.432 -2.706 32 HA LEU 5 HA LEU 5 54.609 5.475 -2.559 33 HB2 LEU 5 HB2 LEU 5 56.576 4.334 -0.545 34 HB3 LEU 5 HB1 LEU 5 55.009 4.996 -0.026 35 HG LEU 5 HG LEU 5 53.834 3.436 -1.545 36 HD11 LEU 5 HD11 LEU 5 55.352 3.097 -3.350 37 HD12 LEU 5 HD12 LEU 5 55.308 1.529 -2.512 38 HD13 LEU 5 HD13 LEU 5 56.681 2.634 -2.260 39 HD21 LEU 5 HD21 LEU 5 54.242 1.414 -0.264 40 HD22 LEU 5 HD22 LEU 5 54.478 2.802 0.827 41 HD23 LEU 5 HD23 LEU 5 55.887 1.951 0.152 42 H ILE 6 HN ILE 6 54.944 7.679 -3.246 43 HA ILE 6 HA ILE 6 55.403 9.440 -0.903 44 HB ILE 6 HB ILE 6 56.867 10.402 -3.393 45 HG12 ILE 6 HG12 ILE 6 58.094 8.285 -1.564 46 HG13 ILE 6 HG11 ILE 6 57.631 8.033 -3.265 47 HG21 ILE 6 HG21 ILE 6 58.215 11.552 -1.819 48 HG22 ILE 6 HG22 ILE 6 57.840 10.405 -0.510 49 HG23 ILE 6 HG23 ILE 6 56.605 11.556 -1.066 50 HD11 ILE 6 HD1 ILE 6 59.178 10.036 -3.803 51 HD12 ILE 6 HD2 ILE 6 59.964 8.511 -3.328 52 HD13 ILE 6 HD3 ILE 6 59.809 9.835 -2.150 53 H LYS 7 HN LYS 7 55.490 11.870 -2.443 54 HA LYS 7 HA LYS 7 53.758 13.312 -3.055 55 HB2 LYS 7 HB2 LYS 7 52.452 11.038 -4.617 56 HB3 LYS 7 HB1 LYS 7 52.445 12.780 -4.986 57 HG2 LYS 7 HG2 LYS 7 54.973 12.596 -5.332 58 HG3 LYS 7 HG1 LYS 7 54.763 10.829 -5.261 59 HD2 LYS 7 HD2 LYS 7 53.123 10.966 -7.133 60 HD3 LYS 7 HD1 LYS 7 53.394 12.723 -7.224 61 HE2 LYS 7 HE2 LYS 7 55.732 12.398 -7.799 62 HE3 LYS 7 HE1 LYS 7 55.603 10.644 -7.522 63 HZ1 LYS 7 HZ1 LYS 7 54.513 10.329 -9.463 64 HZ2 LYS 7 HZ2 LYS 7 55.347 11.739 -9.914 65 HZ3 LYS 7 HZ3 LYS 7 53.723 11.829 -9.419 66 H GLY 8 HN GLY 8 54.084 11.477 -1.093 67 HA2 GLY 8 HA1 GLY 8 53.321 10.369 0.625 68 HA3 GLY 8 HA2 GLY 8 52.076 11.671 0.755 69 H ALA 9 HN ALA 9 52.808 8.814 -1.270 70 HA ALA 9 HA ALA 9 51.518 7.019 -1.929 71 HB1 ALA 9 HB1 ALA 9 49.971 6.093 -0.382 72 HB2 ALA 9 HB2 ALA 9 49.646 7.678 0.360 73 HB3 ALA 9 HB3 ALA 9 51.224 6.889 0.598 74 H ILE 10 HN ILE 10 50.651 10.079 -2.325 75 HA ILE 10 HA ILE 10 48.562 9.407 -4.245 76 HB ILE 10 HB ILE 10 47.010 11.303 -2.969 77 HG12 ILE 10 HG12 ILE 10 48.119 9.610 -0.689 78 HG13 ILE 10 HG11 ILE 10 48.716 11.242 -1.052 79 HG21 ILE 10 HG21 ILE 10 46.374 8.932 -3.780 80 HG22 ILE 10 HG22 ILE 10 45.483 9.585 -2.395 81 HG23 ILE 10 HG23 ILE 10 46.765 8.388 -2.134 82 HD11 ILE 10 HD1 ILE 10 45.893 10.433 -0.241 83 HD12 ILE 10 HD2 ILE 10 46.297 12.048 -0.874 84 HD13 ILE 10 HD3 ILE 10 47.024 11.479 0.646 85 H HIS 11 HN HIS 11 48.607 12.430 -2.428 86 HA HIS 11 HA HIS 11 50.380 13.739 -4.416 87 HB2 HIS 11 HB2 HIS 11 48.012 13.751 -5.359 88 HB3 HIS 11 HB1 HIS 11 47.550 14.758 -3.966 89 HD1 HIS 11 HD1 HIS 11 48.504 17.184 -3.831 90 HD2 HIS 11 HD2 HIS 11 49.571 15.084 -7.315 91 HE1 HIS 11 HE1 HIS 11 49.503 18.876 -5.463 92 H GLY 12 HN GLY 12 50.227 13.091 -1.469 93 HA2 GLY 12 HA1 GLY 12 51.142 14.226 0.359 94 HA3 GLY 12 HA2 GLY 12 51.078 15.749 -0.550 95 H GLY 13 HN GLY 13 48.548 13.368 0.329 96 HA2 GLY 13 HA1 GLY 13 46.565 13.657 1.479 97 HA3 GLY 13 HA2 GLY 13 47.397 14.909 2.421 98 H ARG 14 HN ARG 14 47.673 15.747 -0.777 99 HA ARG 14 HA ARG 14 45.811 17.944 -0.478 100 HB2 ARG 14 HB2 ARG 14 48.035 17.486 -2.019 101 HB3 ARG 14 HB1 ARG 14 46.771 17.201 -3.231 102 HG2 ARG 14 HG2 ARG 14 47.046 19.705 -1.498 103 HG3 ARG 14 HG1 ARG 14 47.502 19.574 -3.213 104 HD2 ARG 14 HD2 ARG 14 45.038 18.821 -3.604 105 HD3 ARG 14 HD1 ARG 14 44.731 19.484 -1.979 106 HE ARG 14 HE ARG 14 44.884 21.632 -2.928 107 HH11 ARG 14 HH11 ARG 14 46.289 19.237 -4.967 108 HH12 ARG 14 HH12 ARG 14 46.761 20.365 -6.194 109 HH21 ARG 14 HH21 ARG 14 45.581 23.136 -4.474 110 HH22 ARG 14 HH22 ARG 14 46.359 22.573 -5.916 111 H PHE 15 HN PHE 15 45.485 14.673 -1.365 112 HA PHE 15 HA PHE 15 43.452 14.765 -3.340 113 HB2 PHE 15 HB2 PHE 15 44.647 12.708 -2.566 114 HB3 PHE 15 HB1 PHE 15 43.701 12.767 -1.059 115 HD1 PHE 15 HD1 PHE 15 41.339 12.189 -1.026 116 HD2 PHE 15 HD2 PHE 15 43.528 12.294 -4.745 117 HE1 PHE 15 HE1 PHE 15 39.452 11.032 -2.168 118 HE2 PHE 15 HE2 PHE 15 41.639 11.137 -5.888 119 HZ PHE 15 HZ PHE 15 39.621 10.465 -4.590 120 H ILE 16 HN ILE 16 43.138 14.636 0.247 121 HA ILE 16 HA ILE 16 40.242 14.936 0.088 122 HB ILE 16 HB ILE 16 41.885 15.523 2.586 123 HG12 ILE 16 HG12 ILE 16 41.137 12.786 1.446 124 HG13 ILE 16 HG11 ILE 16 42.786 13.439 1.576 125 HG21 ILE 16 HG21 ILE 16 39.892 14.596 3.696 126 HG22 ILE 16 HG22 ILE 16 39.190 14.162 2.121 127 HG23 ILE 16 HG23 ILE 16 39.396 15.873 2.563 128 HD11 ILE 16 HD1 ILE 16 42.177 13.717 4.143 129 HD12 ILE 16 HD2 ILE 16 42.649 12.121 3.515 130 HD13 ILE 16 HD3 ILE 16 40.932 12.497 3.777 131 H HIS 17 HN HIS 17 42.451 17.119 1.951 132 HA HIS 17 HA HIS 17 41.632 19.431 0.341 133 HB2 HIS 17 HB2 HIS 17 40.522 19.038 3.150 134 HB3 HIS 17 HB1 HIS 17 40.605 20.617 2.340 135 HD1 HIS 17 HD1 HIS 17 38.474 17.674 2.719 136 HD2 HIS 17 HD2 HIS 17 39.089 20.604 -0.233 137 HE1 HIS 17 HE1 HIS 17 36.491 17.565 1.112 138 H GLY 18 HN GLY 18 44.017 19.126 0.253 139 HA2 GLY 18 HA1 GLY 18 46.125 19.881 0.854 140 HA3 GLY 18 HA2 GLY 18 45.318 21.066 1.881 141 H MET 19 HN MET 19 44.978 17.593 2.258 142 HA MET 19 HA MET 19 45.725 16.357 4.029 143 HB2 MET 19 HB2 MET 19 47.975 17.563 3.487 144 HB3 MET 19 HB1 MET 19 47.628 18.406 5.011 145 HG2 MET 19 HG2 MET 19 47.551 16.281 6.224 146 HG3 MET 19 HG1 MET 19 47.753 15.370 4.711 147 HE1 MET 19 HE1 MET 19 51.088 15.008 6.808 148 HE2 MET 19 HE2 MET 19 49.801 14.113 5.965 149 HE3 MET 19 HE3 MET 19 49.401 15.141 7.361 150 H ILE 20 HN ILE 20 44.027 18.979 4.181 151 HA ILE 20 HA ILE 20 42.734 19.938 5.849 152 HB ILE 20 HB ILE 20 43.229 17.209 7.149 153 HG12 ILE 20 HG12 ILE 20 40.738 17.042 6.795 154 HG13 ILE 20 HG11 ILE 20 40.786 18.620 5.979 155 HG21 ILE 20 HG21 ILE 20 41.430 17.977 8.823 156 HG22 ILE 20 HG22 ILE 20 41.778 19.634 8.279 157 HG23 ILE 20 HG23 ILE 20 43.054 18.662 9.049 158 HD11 ILE 20 HD1 ILE 20 42.172 17.756 4.213 159 HD12 ILE 20 HD2 ILE 20 40.872 16.577 4.455 160 HD13 ILE 20 HD3 ILE 20 42.493 16.255 5.109 161 H GLN 21 HN GLN 21 45.949 18.999 6.025 162 HA GLN 21 HA GLN 21 46.450 20.744 8.471 163 HB2 GLN 21 HB2 GLN 21 47.150 18.259 8.503 164 HB3 GLN 21 HB1 GLN 21 48.351 18.693 7.267 165 HG2 GLN 21 HG2 GLN 21 49.407 20.293 8.769 166 HG3 GLN 21 HG1 GLN 21 48.119 20.077 9.979 167 HE21 GLN 21 HE21 GLN 21 47.789 17.335 10.141 168 HE22 GLN 21 HE22 GLN 21 49.305 16.573 10.630 169 H ASN 22 HN ASN 22 46.416 20.705 5.115 170 HA ASN 22 HA ASN 22 48.551 22.821 5.024 171 HB2 ASN 22 HB2 ASN 22 48.769 20.319 3.785 172 HB3 ASN 22 HB1 ASN 22 48.006 21.286 2.502 173 HD21 ASN 22 HD21 ASN 22 49.187 23.178 1.661 174 HD22 ASN 22 HD22 ASN 22 50.925 23.329 1.937 175 H HIS 23 HN HIS 23 45.475 21.361 4.080 176 HA HIS 23 HA HIS 23 43.598 22.354 3.070 177 HB2 HIS 23 HB2 HIS 23 44.761 24.736 4.557 178 HB3 HIS 23 HB1 HIS 23 43.170 24.762 3.761 179 HD1 HIS 23 HD1 HIS 23 44.495 24.330 7.000 180 HD2 HIS 23 HD2 HIS 23 41.660 22.199 4.739 181 HE1 HIS 23 HE1 HIS 23 43.112 22.931 8.631 182 H HIS 24 HN HIS 24 46.480 22.675 1.811 183 HA HIS 24 HA HIS 24 45.498 23.906 -0.627 184 HB2 HIS 24 HB2 HIS 24 45.946 25.940 0.792 185 HB3 HIS 24 HB1 HIS 24 47.654 25.445 0.870 186 HD1 HIS 24 HD1 HIS 24 44.958 26.260 -1.743 187 HD2 HIS 24 HD2 HIS 24 49.139 26.329 -1.292 188 HE1 HIS 24 HE1 HIS 24 45.936 27.297 -3.864 Start of MODEL 28 1 H1 PHE 1 HT1 PHE 1 62.406 6.521 4.164 2 H2 PHE 1 HT2 PHE 1 62.076 4.863 3.998 3 H3 PHE 1 HT3 PHE 1 63.404 5.381 4.923 4 HA PHE 1 HA PHE 1 61.998 4.988 6.591 5 HB2 PHE 1 HB2 PHE 1 60.937 7.703 5.730 6 HB3 PHE 1 HB1 PHE 1 61.097 7.062 7.382 7 HD1 PHE 1 HD1 PHE 1 63.407 6.607 8.322 8 HD2 PHE 1 HD2 PHE 1 62.795 8.757 4.630 9 HE1 PHE 1 HE1 PHE 1 65.728 7.504 8.459 10 HE2 PHE 1 HE2 PHE 1 65.116 9.655 4.768 11 HZ PHE 1 HZ PHE 1 66.564 9.067 6.709 12 H LEU 2 HN LEU 2 59.846 6.883 4.423 13 HA LEU 2 HA LEU 2 57.535 5.317 5.238 14 HB2 LEU 2 HB2 LEU 2 57.693 7.085 2.775 15 HB3 LEU 2 HB1 LEU 2 56.285 6.739 3.808 16 HG LEU 2 HG LEU 2 58.758 8.354 4.574 17 HD11 LEU 2 HD11 LEU 2 57.228 10.234 4.661 18 HD12 LEU 2 HD12 LEU 2 55.826 9.171 4.387 19 HD13 LEU 2 HD13 LEU 2 57.012 9.436 3.086 20 HD21 LEU 2 HD21 LEU 2 57.328 8.785 6.688 21 HD22 LEU 2 HD22 LEU 2 58.097 7.188 6.561 22 HD23 LEU 2 HD23 LEU 2 56.365 7.372 6.190 23 H GLY 3 HN GLY 3 59.547 5.501 2.281 24 HA2 GLY 3 HA1 GLY 3 59.915 3.887 0.658 25 HA3 GLY 3 HA2 GLY 3 59.121 2.702 1.713 26 H ALA 4 HN ALA 4 56.885 5.016 1.604 27 HA ALA 4 HA ALA 4 55.095 3.594 -0.067 28 HB1 ALA 4 HB1 ALA 4 55.111 6.548 0.645 29 HB2 ALA 4 HB2 ALA 4 54.373 5.239 1.600 30 HB3 ALA 4 HB3 ALA 4 53.720 5.648 -0.006 31 H LEU 5 HN LEU 5 53.904 5.107 -1.894 32 HA LEU 5 HA LEU 5 55.804 5.031 -4.112 33 HB2 LEU 5 HB2 LEU 5 53.016 6.229 -4.196 34 HB3 LEU 5 HB1 LEU 5 53.926 5.434 -5.503 35 HG LEU 5 HG LEU 5 52.807 4.101 -2.996 36 HD11 LEU 5 HD11 LEU 5 51.357 2.920 -4.585 37 HD12 LEU 5 HD12 LEU 5 52.135 3.752 -5.952 38 HD13 LEU 5 HD13 LEU 5 51.157 4.675 -4.786 39 HD21 LEU 5 HD21 LEU 5 54.588 3.084 -5.250 40 HD22 LEU 5 HD22 LEU 5 53.586 1.987 -4.268 41 HD23 LEU 5 HD23 LEU 5 54.855 2.963 -3.495 42 H ILE 6 HN ILE 6 55.910 7.073 -1.747 43 HA ILE 6 HA ILE 6 56.332 9.358 -1.445 44 HB ILE 6 HB ILE 6 57.579 9.548 -4.220 45 HG12 ILE 6 HG12 ILE 6 58.037 7.170 -3.561 46 HG13 ILE 6 HG11 ILE 6 59.499 8.166 -3.637 47 HG21 ILE 6 HG21 ILE 6 58.500 10.225 -1.386 48 HG22 ILE 6 HG22 ILE 6 57.935 11.361 -2.627 49 HG23 ILE 6 HG23 ILE 6 59.468 10.492 -2.852 50 HD11 ILE 6 HD1 ILE 6 59.175 6.577 -1.580 51 HD12 ILE 6 HD2 ILE 6 58.035 7.808 -1.000 52 HD13 ILE 6 HD3 ILE 6 59.738 8.237 -1.287 53 H LYS 7 HN LYS 7 56.694 11.224 -3.868 54 HA LYS 7 HA LYS 7 55.250 12.909 -4.577 55 HB2 LYS 7 HB2 LYS 7 54.356 10.781 -5.976 56 HB3 LYS 7 HB1 LYS 7 52.968 10.918 -4.875 57 HG2 LYS 7 HG2 LYS 7 52.273 12.289 -6.654 58 HG3 LYS 7 HG1 LYS 7 53.021 13.485 -5.573 59 HD2 LYS 7 HD2 LYS 7 55.120 13.372 -6.876 60 HD3 LYS 7 HD1 LYS 7 54.413 12.122 -7.927 61 HE2 LYS 7 HE2 LYS 7 53.189 14.885 -7.563 62 HE3 LYS 7 HE1 LYS 7 54.332 14.486 -8.868 63 HZ1 LYS 7 HZ1 LYS 7 52.816 13.204 -9.923 64 HZ2 LYS 7 HZ2 LYS 7 51.712 14.215 -9.117 65 HZ3 LYS 7 HZ3 LYS 7 52.071 12.676 -8.494 66 H GLY 8 HN GLY 8 55.707 11.756 -2.172 67 HA2 GLY 8 HA1 GLY 8 55.114 11.390 -0.061 68 HA3 GLY 8 HA2 GLY 8 54.611 13.122 -0.144 69 H ALA 9 HN ALA 9 53.604 9.762 -0.358 70 HA ALA 9 HA ALA 9 51.556 8.733 -0.105 71 HB1 ALA 9 HB1 ALA 9 50.017 9.729 1.540 72 HB2 ALA 9 HB2 ALA 9 50.929 11.257 1.474 73 HB3 ALA 9 HB3 ALA 9 51.698 9.788 2.122 74 H ILE 10 HN ILE 10 51.443 9.198 -2.479 75 HA ILE 10 HA ILE 10 50.147 9.755 -4.307 76 HB ILE 10 HB ILE 10 48.143 10.121 -2.061 77 HG12 ILE 10 HG12 ILE 10 46.876 8.495 -3.428 78 HG13 ILE 10 HG11 ILE 10 48.112 8.602 -4.705 79 HG21 ILE 10 HG21 ILE 10 47.455 12.052 -3.240 80 HG22 ILE 10 HG22 ILE 10 46.408 10.765 -3.880 81 HG23 ILE 10 HG23 ILE 10 47.810 11.322 -4.826 82 HD11 ILE 10 HD1 ILE 10 48.758 7.811 -1.835 83 HD12 ILE 10 HD2 ILE 10 49.798 7.652 -3.272 84 HD13 ILE 10 HD3 ILE 10 48.354 6.625 -3.100 85 H HIS 11 HN HIS 11 49.189 12.337 -2.004 86 HA HIS 11 HA HIS 11 50.882 14.299 -3.406 87 HB2 HIS 11 HB2 HIS 11 47.838 14.379 -3.550 88 HB3 HIS 11 HB1 HIS 11 48.872 15.797 -3.846 89 HD1 HIS 11 HD1 HIS 11 47.106 13.424 -5.729 90 HD2 HIS 11 HD2 HIS 11 51.059 14.844 -5.894 91 HE1 HIS 11 HE1 HIS 11 48.020 12.864 -8.047 92 H GLY 12 HN GLY 12 49.742 12.913 -0.782 93 HA2 GLY 12 HA1 GLY 12 50.241 13.693 1.428 94 HA3 GLY 12 HA2 GLY 12 50.078 15.376 0.885 95 H GLY 13 HN GLY 13 47.898 12.585 0.400 96 HA2 GLY 13 HA1 GLY 13 45.686 12.292 1.004 97 HA3 GLY 13 HA2 GLY 13 46.042 13.259 2.450 98 H ARG 14 HN ARG 14 46.670 14.684 -0.642 99 HA ARG 14 HA ARG 14 44.592 16.714 -0.131 100 HB2 ARG 14 HB2 ARG 14 46.804 17.411 -0.932 101 HB3 ARG 14 HB1 ARG 14 46.639 16.375 -2.367 102 HG2 ARG 14 HG2 ARG 14 46.150 18.781 -2.851 103 HG3 ARG 14 HG1 ARG 14 44.759 17.730 -3.182 104 HD2 ARG 14 HD2 ARG 14 43.570 18.501 -1.294 105 HD3 ARG 14 HD1 ARG 14 45.045 19.059 -0.466 106 HE ARG 14 HE ARG 14 43.493 20.574 -2.429 107 HH11 ARG 14 HH11 ARG 14 45.318 21.580 -3.908 108 HH12 ARG 14 HH12 ARG 14 46.463 22.484 -2.975 109 HH21 ARG 14 HH21 ARG 14 45.516 21.074 0.047 110 HH22 ARG 14 HH22 ARG 14 46.575 22.198 -0.736 111 H PHE 15 HN PHE 15 44.959 13.786 -1.919 112 HA PHE 15 HA PHE 15 43.059 14.396 -4.027 113 HB2 PHE 15 HB2 PHE 15 44.791 12.588 -4.151 114 HB3 PHE 15 HB1 PHE 15 43.873 11.679 -2.928 115 HD1 PHE 15 HD1 PHE 15 41.643 10.751 -3.445 116 HD2 PHE 15 HD2 PHE 15 43.943 12.862 -6.426 117 HE1 PHE 15 HE1 PHE 15 40.149 9.861 -5.230 118 HE2 PHE 15 HE2 PHE 15 42.448 11.972 -8.210 119 HZ PHE 15 HZ PHE 15 40.599 10.411 -7.619 120 H ILE 16 HN ILE 16 42.860 13.099 -0.739 121 HA ILE 16 HA ILE 16 40.117 12.185 -1.005 122 HB ILE 16 HB ILE 16 41.864 12.829 1.408 123 HG12 ILE 16 HG12 ILE 16 41.730 10.348 1.707 124 HG13 ILE 16 HG11 ILE 16 40.750 10.239 0.229 125 HG21 ILE 16 HG21 ILE 16 39.639 13.269 2.201 126 HG22 ILE 16 HG22 ILE 16 39.985 11.597 2.693 127 HG23 ILE 16 HG23 ILE 16 38.960 11.913 1.272 128 HD11 ILE 16 HD1 ILE 16 42.558 10.804 -1.171 129 HD12 ILE 16 HD2 ILE 16 43.354 9.830 0.084 130 HD13 ILE 16 HD3 ILE 16 43.459 11.605 0.139 131 H HIS 17 HN HIS 17 41.183 14.762 1.296 132 HA HIS 17 HA HIS 17 39.210 16.624 0.019 133 HB2 HIS 17 HB2 HIS 17 39.086 15.791 2.947 134 HB3 HIS 17 HB1 HIS 17 38.117 17.075 2.184 135 HD1 HIS 17 HD1 HIS 17 37.708 13.737 3.231 136 HD2 HIS 17 HD2 HIS 17 36.755 15.783 -0.317 137 HE1 HIS 17 HE1 HIS 17 35.949 12.351 1.999 138 H GLY 18 HN GLY 18 42.131 15.951 1.591 139 HA2 GLY 18 HA1 GLY 18 43.285 18.455 1.241 140 HA3 GLY 18 HA2 GLY 18 42.532 18.537 2.852 141 H MET 19 HN MET 19 42.874 16.460 4.137 142 HA MET 19 HA MET 19 45.274 15.019 3.843 143 HB2 MET 19 HB2 MET 19 46.122 17.402 4.421 144 HB3 MET 19 HB1 MET 19 45.485 17.041 6.040 145 HG2 MET 19 HG2 MET 19 46.975 15.128 6.266 146 HG3 MET 19 HG1 MET 19 47.496 15.273 4.572 147 HE1 MET 19 HE1 MET 19 49.032 15.718 7.909 148 HE2 MET 19 HE2 MET 19 50.478 16.198 6.991 149 HE3 MET 19 HE3 MET 19 49.465 14.854 6.415 150 H ILE 20 HN ILE 20 42.469 14.866 4.338 151 HA ILE 20 HA ILE 20 41.053 13.743 5.792 152 HB ILE 20 HB ILE 20 43.694 12.535 6.777 153 HG12 ILE 20 HG12 ILE 20 42.893 10.533 5.639 154 HG13 ILE 20 HG11 ILE 20 41.329 11.308 5.294 155 HG21 ILE 20 HG21 ILE 20 42.334 12.412 8.719 156 HG22 ILE 20 HG22 ILE 20 42.072 10.848 7.917 157 HG23 ILE 20 HG23 ILE 20 40.852 12.136 7.772 158 HD11 ILE 20 HD1 ILE 20 42.279 12.794 3.711 159 HD12 ILE 20 HD2 ILE 20 43.109 11.254 3.391 160 HD13 ILE 20 HD3 ILE 20 43.933 12.531 4.312 161 H GLN 21 HN GLN 21 43.389 16.000 6.400 162 HA GLN 21 HA GLN 21 42.124 16.692 9.102 163 HB2 GLN 21 HB2 GLN 21 44.451 15.657 9.275 164 HB3 GLN 21 HB1 GLN 21 45.057 17.091 8.416 165 HG2 GLN 21 HG2 GLN 21 45.301 17.544 10.768 166 HG3 GLN 21 HG1 GLN 21 43.913 18.507 10.213 167 HE21 GLN 21 HE21 GLN 21 43.013 18.503 12.426 168 HE22 GLN 21 HE22 GLN 21 42.241 17.044 13.056 169 H ASN 22 HN ASN 22 43.481 17.767 5.989 170 HA ASN 22 HA ASN 22 43.162 20.616 6.798 171 HB2 ASN 22 HB2 ASN 22 44.217 19.185 4.341 172 HB3 ASN 22 HB1 ASN 22 43.864 20.927 4.304 173 HD21 ASN 22 HD21 ASN 22 46.438 20.651 3.883 174 HD22 ASN 22 HD22 ASN 22 47.413 20.820 5.346 175 H HIS 23 HN HIS 23 41.552 18.095 4.909 176 HA HIS 23 HA HIS 23 39.551 18.152 3.722 177 HB2 HIS 23 HB2 HIS 23 38.891 18.515 6.174 178 HB3 HIS 23 HB1 HIS 23 38.708 20.238 5.768 179 HD1 HIS 23 HD1 HIS 23 36.547 20.953 4.695 180 HD2 HIS 23 HD2 HIS 23 37.082 16.783 4.620 181 HE1 HIS 23 HE1 HIS 23 34.401 19.926 3.764 182 H HIS 24 HN HIS 24 37.679 19.875 2.983 183 HA HIS 24 HA HIS 24 37.247 21.537 1.427 184 HB2 HIS 24 HB2 HIS 24 39.526 23.027 2.786 185 HB3 HIS 24 HB1 HIS 24 38.191 23.729 1.840 186 HD1 HIS 24 HD1 HIS 24 39.169 22.995 5.251 187 HD2 HIS 24 HD2 HIS 24 35.534 22.924 3.139 188 HE1 HIS 24 HE1 HIS 24 37.285 23.094 6.974 Start of MODEL 29 1 H1 PHE 1 HT1 PHE 1 62.788 6.986 5.114 2 H2 PHE 1 HT2 PHE 1 63.802 5.819 5.820 3 H3 PHE 1 HT3 PHE 1 63.432 7.250 6.659 4 HA PHE 1 HA PHE 1 62.095 4.809 6.673 5 HB2 PHE 1 HB2 PHE 1 61.576 7.517 7.960 6 HB3 PHE 1 HB1 PHE 1 60.731 6.014 8.403 7 HD1 PHE 1 HD1 PHE 1 61.842 4.268 9.671 8 HD2 PHE 1 HD2 PHE 1 64.027 7.745 8.342 9 HE1 PHE 1 HE1 PHE 1 63.743 3.641 11.155 10 HE2 PHE 1 HE2 PHE 1 65.928 7.117 9.827 11 HZ PHE 1 HZ PHE 1 65.799 5.046 11.206 12 H LEU 2 HN LEU 2 61.714 5.594 4.073 13 HA LEU 2 HA LEU 2 59.190 7.012 3.741 14 HB2 LEU 2 HB2 LEU 2 60.469 5.123 1.736 15 HB3 LEU 2 HB1 LEU 2 59.431 6.534 1.422 16 HG LEU 2 HG LEU 2 62.248 6.589 2.594 17 HD11 LEU 2 HD11 LEU 2 62.043 6.121 0.130 18 HD12 LEU 2 HD12 LEU 2 62.854 7.665 0.489 19 HD13 LEU 2 HD13 LEU 2 61.157 7.655 -0.047 20 HD21 LEU 2 HD21 LEU 2 61.080 8.405 3.614 21 HD22 LEU 2 HD22 LEU 2 60.150 8.750 2.135 22 HD23 LEU 2 HD23 LEU 2 61.887 9.134 2.207 23 H GLY 3 HN GLY 3 57.763 5.520 1.939 24 HA2 GLY 3 HA1 GLY 3 57.243 2.839 2.878 25 HA3 GLY 3 HA2 GLY 3 56.077 3.986 3.565 26 H ALA 4 HN ALA 4 55.041 5.507 1.934 27 HA ALA 4 HA ALA 4 53.836 3.845 -0.132 28 HB1 ALA 4 HB1 ALA 4 52.484 5.801 -0.613 29 HB2 ALA 4 HB2 ALA 4 53.592 6.839 0.316 30 HB3 ALA 4 HB3 ALA 4 52.617 5.603 1.150 31 H LEU 5 HN LEU 5 53.431 5.362 -2.301 32 HA LEU 5 HA LEU 5 56.034 5.206 -3.641 33 HB2 LEU 5 HB2 LEU 5 53.214 5.931 -4.508 34 HB3 LEU 5 HB1 LEU 5 54.599 6.096 -5.612 35 HG LEU 5 HG LEU 5 55.152 3.688 -5.240 36 HD11 LEU 5 HD11 LEU 5 52.676 3.857 -3.479 37 HD12 LEU 5 HD12 LEU 5 54.274 3.171 -3.093 38 HD13 LEU 5 HD13 LEU 5 53.189 2.317 -4.210 39 HD21 LEU 5 HD21 LEU 5 53.712 4.432 -7.136 40 HD22 LEU 5 HD22 LEU 5 52.273 4.197 -6.116 41 HD23 LEU 5 HD23 LEU 5 53.277 2.801 -6.574 42 H ILE 6 HN ILE 6 55.911 7.139 -1.492 43 HA ILE 6 HA ILE 6 56.319 9.414 -1.044 44 HB ILE 6 HB ILE 6 57.650 9.654 -3.787 45 HG12 ILE 6 HG12 ILE 6 58.621 7.878 -1.498 46 HG13 ILE 6 HG11 ILE 6 58.161 7.342 -3.133 47 HG21 ILE 6 HG21 ILE 6 59.217 10.993 -2.611 48 HG22 ILE 6 HG22 ILE 6 58.803 10.271 -1.037 49 HG23 ILE 6 HG23 ILE 6 57.672 11.392 -1.826 50 HD11 ILE 6 HD1 ILE 6 60.548 7.481 -3.159 51 HD12 ILE 6 HD2 ILE 6 60.543 9.050 -2.320 52 HD13 ILE 6 HD3 ILE 6 59.982 8.939 -4.007 53 H LYS 7 HN LYS 7 56.787 11.371 -3.386 54 HA LYS 7 HA LYS 7 55.396 13.113 -4.074 55 HB2 LYS 7 HB2 LYS 7 54.548 11.227 -5.681 56 HB3 LYS 7 HB1 LYS 7 53.188 11.055 -4.545 57 HG2 LYS 7 HG2 LYS 7 52.804 13.569 -4.811 58 HG3 LYS 7 HG1 LYS 7 53.976 13.521 -6.151 59 HD2 LYS 7 HD2 LYS 7 51.388 11.914 -5.966 60 HD3 LYS 7 HD1 LYS 7 51.680 13.315 -7.022 61 HE2 LYS 7 HE2 LYS 7 53.699 11.918 -7.943 62 HE3 LYS 7 HE1 LYS 7 52.873 10.530 -7.191 63 HZ1 LYS 7 HZ1 LYS 7 52.347 11.307 -9.640 64 HZ2 LYS 7 HZ2 LYS 7 51.269 12.346 -8.837 65 HZ3 LYS 7 HZ3 LYS 7 51.143 10.665 -8.633 66 H GLY 8 HN GLY 8 55.745 11.854 -1.704 67 HA2 GLY 8 HA1 GLY 8 55.069 11.409 0.364 68 HA3 GLY 8 HA2 GLY 8 54.613 13.158 0.336 69 H ALA 9 HN ALA 9 53.452 9.912 -0.535 70 HA ALA 9 HA ALA 9 51.429 8.890 -0.137 71 HB1 ALA 9 HB1 ALA 9 49.973 9.643 1.536 72 HB2 ALA 9 HB2 ALA 9 50.296 11.359 1.200 73 HB3 ALA 9 HB3 ALA 9 51.520 10.367 2.025 74 H ILE 10 HN ILE 10 51.541 9.270 -2.508 75 HA ILE 10 HA ILE 10 50.703 10.172 -4.508 76 HB ILE 10 HB ILE 10 48.065 9.781 -4.490 77 HG12 ILE 10 HG12 ILE 10 48.949 8.407 -1.903 78 HG13 ILE 10 HG11 ILE 10 47.958 9.877 -1.964 79 HG21 ILE 10 HG21 ILE 10 49.964 7.472 -3.872 80 HG22 ILE 10 HG22 ILE 10 49.816 8.247 -5.467 81 HG23 ILE 10 HG23 ILE 10 48.431 7.383 -4.767 82 HD11 ILE 10 HD1 ILE 10 46.386 8.432 -3.532 83 HD12 ILE 10 HD2 ILE 10 46.323 8.196 -1.770 84 HD13 ILE 10 HD3 ILE 10 47.230 7.053 -2.785 85 H HIS 11 HN HIS 11 47.661 11.097 -3.111 86 HA HIS 11 HA HIS 11 47.375 13.522 -4.313 87 HB2 HIS 11 HB2 HIS 11 45.911 14.208 -2.451 88 HB3 HIS 11 HB1 HIS 11 45.623 12.529 -2.962 89 HD1 HIS 11 HD1 HIS 11 47.676 14.449 -0.334 90 HD2 HIS 11 HD2 HIS 11 45.882 10.688 -0.898 91 HE1 HIS 11 HE1 HIS 11 47.897 13.162 1.862 92 H GLY 12 HN GLY 12 49.715 12.853 -1.841 93 HA2 GLY 12 HA1 GLY 12 50.053 15.358 -0.622 94 HA3 GLY 12 HA2 GLY 12 51.384 14.253 -1.023 95 H GLY 13 HN GLY 13 50.246 14.553 -3.916 96 HA2 GLY 13 HA1 GLY 13 51.159 17.292 -4.577 97 HA3 GLY 13 HA2 GLY 13 52.139 15.947 -5.201 98 H ARG 14 HN ARG 14 50.281 14.045 -5.873 99 HA ARG 14 HA ARG 14 49.486 14.672 -8.429 100 HB2 ARG 14 HB2 ARG 14 49.305 12.424 -7.324 101 HB3 ARG 14 HB1 ARG 14 47.819 12.981 -6.532 102 HG2 ARG 14 HG2 ARG 14 47.209 11.731 -8.530 103 HG3 ARG 14 HG1 ARG 14 46.823 13.442 -8.792 104 HD2 ARG 14 HD2 ARG 14 48.550 13.729 -10.355 105 HD3 ARG 14 HD1 ARG 14 49.535 12.412 -9.670 106 HE ARG 14 HE ARG 14 47.099 11.332 -10.741 107 HH11 ARG 14 HH11 ARG 14 47.359 12.688 -13.146 108 HH12 ARG 14 HH12 ARG 14 48.649 11.921 -14.009 109 HH21 ARG 14 HH21 ARG 14 49.955 10.361 -11.200 110 HH22 ARG 14 HH22 ARG 14 50.118 10.603 -12.908 111 H PHE 15 HN PHE 15 47.379 15.073 -5.524 112 HA PHE 15 HA PHE 15 45.130 16.111 -6.833 113 HB2 PHE 15 HB2 PHE 15 45.560 15.595 -4.315 114 HB3 PHE 15 HB1 PHE 15 46.114 17.279 -4.208 115 HD1 PHE 15 HD1 PHE 15 43.225 15.059 -4.438 116 HD2 PHE 15 HD2 PHE 15 44.524 19.148 -4.907 117 HE1 PHE 15 HE1 PHE 15 40.860 15.828 -4.300 118 HE2 PHE 15 HE2 PHE 15 42.160 19.916 -4.762 119 HZ PHE 15 HZ PHE 15 40.327 18.256 -4.461 120 H ILE 16 HN ILE 16 47.909 17.993 -5.492 121 HA ILE 16 HA ILE 16 47.039 20.304 -7.230 122 HB ILE 16 HB ILE 16 48.441 21.706 -5.732 123 HG12 ILE 16 HG12 ILE 16 48.704 19.102 -4.150 124 HG13 ILE 16 HG11 ILE 16 50.026 19.982 -4.951 125 HG21 ILE 16 HG21 ILE 16 46.488 20.108 -4.031 126 HG22 ILE 16 HG22 ILE 16 45.925 21.167 -5.347 127 HG23 ILE 16 HG23 ILE 16 46.834 21.851 -3.981 128 HD11 ILE 16 HD1 ILE 16 50.161 20.639 -2.666 129 HD12 ILE 16 HD2 ILE 16 48.397 20.827 -2.529 130 HD13 ILE 16 HD3 ILE 16 49.348 21.998 -3.475 131 H HIS 17 HN HIS 17 48.395 18.210 -8.474 132 HA HIS 17 HA HIS 17 50.920 19.640 -9.219 133 HB2 HIS 17 HB2 HIS 17 51.637 17.816 -7.713 134 HB3 HIS 17 HB1 HIS 17 50.735 16.641 -8.701 135 HD1 HIS 17 HD1 HIS 17 53.349 19.399 -9.357 136 HD2 HIS 17 HD2 HIS 17 52.393 15.484 -10.567 137 HE1 HIS 17 HE1 HIS 17 55.136 18.660 -11.027 138 H GLY 18 HN GLY 18 48.282 17.388 -9.865 139 HA2 GLY 18 HA1 GLY 18 48.780 16.604 -12.499 140 HA3 GLY 18 HA2 GLY 18 47.170 17.035 -11.877 141 H MET 19 HN MET 19 48.054 19.699 -11.191 142 HA MET 19 HA MET 19 48.984 21.499 -12.771 143 HB2 MET 19 HB2 MET 19 46.797 20.320 -14.401 144 HB3 MET 19 HB1 MET 19 47.115 22.048 -14.538 145 HG2 MET 19 HG2 MET 19 49.093 21.751 -15.684 146 HG3 MET 19 HG1 MET 19 49.561 20.318 -14.744 147 HE1 MET 19 HE1 MET 19 49.556 19.363 -18.557 148 HE2 MET 19 HE2 MET 19 50.421 18.987 -17.048 149 HE3 MET 19 HE3 MET 19 50.189 20.681 -17.542 150 H ILE 20 HN ILE 20 47.257 20.587 -10.461 151 HA ILE 20 HA ILE 20 45.783 21.620 -9.012 152 HB ILE 20 HB ILE 20 46.736 24.138 -10.483 153 HG12 ILE 20 HG12 ILE 20 47.788 24.599 -8.269 154 HG13 ILE 20 HG11 ILE 20 47.154 23.052 -7.661 155 HG21 ILE 20 HG21 ILE 20 44.529 24.734 -9.826 156 HG22 ILE 20 HG22 ILE 20 45.553 25.320 -8.498 157 HG23 ILE 20 HG23 ILE 20 44.636 23.805 -8.312 158 HD11 ILE 20 HD1 ILE 20 49.613 23.120 -8.547 159 HD12 ILE 20 HD2 ILE 20 48.874 23.147 -10.166 160 HD13 ILE 20 HD3 ILE 20 48.571 21.778 -9.068 161 H GLN 21 HN GLN 21 45.699 21.336 -12.313 162 HA GLN 21 HA GLN 21 42.703 21.935 -12.410 163 HB2 GLN 21 HB2 GLN 21 44.083 23.520 -13.761 164 HB3 GLN 21 HB1 GLN 21 44.717 22.135 -14.682 165 HG2 GLN 21 HG2 GLN 21 42.490 21.560 -15.471 166 HG3 GLN 21 HG1 GLN 21 41.752 22.785 -14.413 167 HE21 GLN 21 HE21 GLN 21 42.620 25.137 -14.812 168 HE22 GLN 21 HE22 GLN 21 42.894 25.572 -16.503 169 H ASN 22 HN ASN 22 45.341 19.635 -13.040 170 HA ASN 22 HA ASN 22 43.391 17.841 -14.465 171 HB2 ASN 22 HB2 ASN 22 45.916 18.384 -15.200 172 HB3 ASN 22 HB1 ASN 22 46.298 17.119 -14.021 173 HD21 ASN 22 HD21 ASN 22 46.808 15.349 -15.364 174 HD22 ASN 22 HD22 ASN 22 45.693 14.700 -16.571 175 H HIS 23 HN HIS 23 45.394 18.227 -11.579 176 HA HIS 23 HA HIS 23 45.557 16.920 -9.659 177 HB2 HIS 23 HB2 HIS 23 42.595 16.650 -10.293 178 HB3 HIS 23 HB1 HIS 23 43.336 16.204 -8.737 179 HD1 HIS 23 HD1 HIS 23 42.978 18.016 -7.065 180 HD2 HIS 23 HD2 HIS 23 43.827 19.546 -10.884 181 HE1 HIS 23 HE1 HIS 23 42.983 20.565 -6.884 182 H HIS 24 HN HIS 24 42.886 14.885 -10.630 183 HA HIS 24 HA HIS 24 42.800 12.586 -10.919 184 HB2 HIS 24 HB2 HIS 24 43.772 13.388 -13.126 185 HB3 HIS 24 HB1 HIS 24 45.378 12.962 -12.489 186 HD1 HIS 24 HD1 HIS 24 42.217 10.950 -11.808 187 HD2 HIS 24 HD2 HIS 24 45.697 10.688 -14.152 188 HE1 HIS 24 HE1 HIS 24 42.328 8.575 -12.744 Start of MODEL 30 1 H1 PHE 1 HT1 PHE 1 49.431 3.424 -9.298 2 H2 PHE 1 HT2 PHE 1 48.660 2.892 -7.880 3 H3 PHE 1 HT3 PHE 1 47.936 2.631 -9.395 4 HA PHE 1 HA PHE 1 49.119 0.712 -8.243 5 HB2 PHE 1 HB2 PHE 1 49.936 -0.085 -10.501 6 HB3 PHE 1 HB1 PHE 1 48.257 0.508 -10.485 7 HD1 PHE 1 HD1 PHE 1 47.770 2.878 -11.254 8 HD2 PHE 1 HD2 PHE 1 51.609 0.996 -11.840 9 HE1 PHE 1 HE1 PHE 1 48.337 4.576 -12.987 10 HE2 PHE 1 HE2 PHE 1 52.176 2.694 -13.574 11 HZ PHE 1 HZ PHE 1 50.518 4.450 -14.186 12 H LEU 2 HN LEU 2 50.647 3.170 -7.545 13 HA LEU 2 HA LEU 2 53.345 2.827 -8.552 14 HB2 LEU 2 HB2 LEU 2 52.351 4.950 -7.555 15 HB3 LEU 2 HB1 LEU 2 52.470 4.165 -5.966 16 HG LEU 2 HG LEU 2 55.003 3.766 -6.624 17 HD11 LEU 2 HD11 LEU 2 54.190 6.026 -8.512 18 HD12 LEU 2 HD12 LEU 2 54.936 4.472 -8.952 19 HD13 LEU 2 HD13 LEU 2 55.868 5.679 -8.043 20 HD21 LEU 2 HD21 LEU 2 53.923 6.545 -5.972 21 HD22 LEU 2 HD22 LEU 2 55.595 5.999 -5.701 22 HD23 LEU 2 HD23 LEU 2 54.256 5.249 -4.799 23 H GLY 3 HN GLY 3 54.999 1.612 -7.826 24 HA2 GLY 3 HA1 GLY 3 54.391 -0.519 -5.932 25 HA3 GLY 3 HA2 GLY 3 55.938 -0.229 -6.753 26 H ALA 4 HN ALA 4 54.290 2.268 -4.903 27 HA ALA 4 HA ALA 4 55.735 1.758 -2.432 28 HB1 ALA 4 HB1 ALA 4 56.673 4.119 -4.094 29 HB2 ALA 4 HB2 ALA 4 57.564 2.587 -3.946 30 HB3 ALA 4 HB3 ALA 4 57.290 3.599 -2.508 31 H LEU 5 HN LEU 5 55.946 4.859 -2.216 32 HA LEU 5 HA LEU 5 53.155 5.724 -2.330 33 HB2 LEU 5 HB2 LEU 5 52.712 5.910 0.015 34 HB3 LEU 5 HB1 LEU 5 53.231 4.237 -0.278 35 HG LEU 5 HG LEU 5 54.908 6.504 0.894 36 HD11 LEU 5 HD11 LEU 5 54.048 3.809 2.025 37 HD12 LEU 5 HD12 LEU 5 53.258 5.361 2.392 38 HD13 LEU 5 HD13 LEU 5 54.947 5.083 2.880 39 HD21 LEU 5 HD21 LEU 5 56.459 5.273 -0.440 40 HD22 LEU 5 HD22 LEU 5 55.663 3.719 -0.084 41 HD23 LEU 5 HD23 LEU 5 56.605 4.548 1.177 42 H ILE 6 HN ILE 6 55.992 6.457 -3.101 43 HA ILE 6 HA ILE 6 56.577 8.883 -1.526 44 HB ILE 6 HB ILE 6 58.164 7.318 -3.044 45 HG12 ILE 6 HG12 ILE 6 58.467 10.357 -2.916 46 HG13 ILE 6 HG11 ILE 6 58.939 9.196 -1.659 47 HG21 ILE 6 HG21 ILE 6 57.846 9.478 -5.131 48 HG22 ILE 6 HG22 ILE 6 56.683 8.133 -5.138 49 HG23 ILE 6 HG23 ILE 6 58.422 7.807 -5.295 50 HD11 ILE 6 HD1 ILE 6 60.939 9.699 -2.887 51 HD12 ILE 6 HD2 ILE 6 60.113 9.496 -4.450 52 HD13 ILE 6 HD3 ILE 6 60.425 8.081 -3.417 53 H LYS 7 HN LYS 7 57.143 10.610 -3.923 54 HA LYS 7 HA LYS 7 55.963 12.461 -4.698 55 HB2 LYS 7 HB2 LYS 7 54.813 10.621 -6.171 56 HB3 LYS 7 HB1 LYS 7 53.515 10.647 -4.958 57 HG2 LYS 7 HG2 LYS 7 52.692 12.213 -6.495 58 HG3 LYS 7 HG1 LYS 7 53.571 13.283 -5.381 59 HD2 LYS 7 HD2 LYS 7 55.607 12.947 -6.966 60 HD3 LYS 7 HD1 LYS 7 54.434 12.276 -8.121 61 HE2 LYS 7 HE2 LYS 7 54.370 15.060 -6.877 62 HE3 LYS 7 HE1 LYS 7 54.729 14.663 -8.573 63 HZ1 LYS 7 HZ1 LYS 7 52.560 14.157 -9.008 64 HZ2 LYS 7 HZ2 LYS 7 52.332 15.356 -7.827 65 HZ3 LYS 7 HZ3 LYS 7 52.202 13.715 -7.410 66 H GLY 8 HN GLY 8 56.256 11.301 -2.271 67 HA2 GLY 8 HA1 GLY 8 55.610 11.057 -0.158 68 HA3 GLY 8 HA2 GLY 8 55.362 12.843 -0.272 69 H ALA 9 HN ALA 9 53.812 9.714 -0.910 70 HA ALA 9 HA ALA 9 51.695 8.946 -0.443 71 HB1 ALA 9 HB1 ALA 9 51.986 10.496 1.647 72 HB2 ALA 9 HB2 ALA 9 50.350 9.960 1.194 73 HB3 ALA 9 HB3 ALA 9 50.894 11.601 0.781 74 H ILE 10 HN ILE 10 51.806 9.179 -2.835 75 HA ILE 10 HA ILE 10 51.056 10.051 -4.865 76 HB ILE 10 HB ILE 10 48.460 10.208 -4.918 77 HG12 ILE 10 HG12 ILE 10 48.830 9.159 -2.070 78 HG13 ILE 10 HG11 ILE 10 48.185 10.764 -2.493 79 HG21 ILE 10 HG21 ILE 10 49.836 8.164 -5.472 80 HG22 ILE 10 HG22 ILE 10 48.234 7.788 -4.806 81 HG23 ILE 10 HG23 ILE 10 49.678 7.657 -3.775 82 HD11 ILE 10 HD1 ILE 10 46.479 9.347 -3.969 83 HD12 ILE 10 HD2 ILE 10 46.209 9.526 -2.221 84 HD13 ILE 10 HD3 ILE 10 46.932 8.033 -2.859 85 H HIS 11 HN HIS 11 48.277 11.777 -4.121 86 HA HIS 11 HA HIS 11 49.668 14.306 -4.771 87 HB2 HIS 11 HB2 HIS 11 47.447 13.633 -5.772 88 HB3 HIS 11 HB1 HIS 11 46.727 13.831 -4.159 89 HD1 HIS 11 HD1 HIS 11 45.400 15.722 -5.830 90 HD2 HIS 11 HD2 HIS 11 49.232 16.595 -4.342 91 HE1 HIS 11 HE1 HIS 11 45.737 18.246 -6.028 92 H GLY 12 HN GLY 12 50.399 13.107 -2.274 93 HA2 GLY 12 HA1 GLY 12 50.769 13.810 -0.098 94 HA3 GLY 12 HA2 GLY 12 50.084 15.387 -0.550 95 H GLY 13 HN GLY 13 48.567 12.163 -0.683 96 HA2 GLY 13 HA1 GLY 13 46.623 11.387 0.308 97 HA3 GLY 13 HA2 GLY 13 47.093 12.335 1.736 98 H ARG 14 HN ARG 14 46.077 13.116 -1.620 99 HA ARG 14 HA ARG 14 43.681 14.510 -0.527 100 HB2 ARG 14 HB2 ARG 14 45.380 16.270 -0.482 101 HB3 ARG 14 HB1 ARG 14 45.854 15.899 -2.153 102 HG2 ARG 14 HG2 ARG 14 44.366 17.905 -1.988 103 HG3 ARG 14 HG1 ARG 14 43.657 16.619 -2.983 104 HD2 ARG 14 HD2 ARG 14 42.147 17.799 -1.194 105 HD3 ARG 14 HD1 ARG 14 42.082 16.026 -1.309 106 HE ARG 14 HE ARG 14 43.007 15.941 0.859 107 HH11 ARG 14 HH11 ARG 14 42.512 19.148 0.103 108 HH12 ARG 14 HH12 ARG 14 43.721 19.782 1.169 109 HH21 ARG 14 HH21 ARG 14 45.063 16.676 1.926 110 HH22 ARG 14 HH22 ARG 14 45.165 18.383 2.202 111 H PHE 15 HN PHE 15 45.455 12.865 -2.992 112 HA PHE 15 HA PHE 15 44.141 13.428 -5.368 113 HB2 PHE 15 HB2 PHE 15 45.901 11.613 -4.865 114 HB3 PHE 15 HB1 PHE 15 44.533 10.567 -4.419 115 HD1 PHE 15 HD1 PHE 15 45.633 12.888 -7.184 116 HD2 PHE 15 HD2 PHE 15 43.511 9.279 -6.125 117 HE1 PHE 15 HE1 PHE 15 45.248 12.404 -9.598 118 HE2 PHE 15 HE2 PHE 15 43.128 8.798 -8.538 119 HZ PHE 15 HZ PHE 15 44.050 10.327 -10.276 120 H ILE 16 HN ILE 16 42.787 12.134 -2.464 121 HA ILE 16 HA ILE 16 40.091 12.097 -3.735 122 HB ILE 16 HB ILE 16 40.973 9.805 -1.923 123 HG12 ILE 16 HG12 ILE 16 40.910 9.942 -4.975 124 HG13 ILE 16 HG11 ILE 16 42.349 9.704 -3.956 125 HG21 ILE 16 HG21 ILE 16 38.683 10.020 -3.925 126 HG22 ILE 16 HG22 ILE 16 38.518 10.457 -2.207 127 HG23 ILE 16 HG23 ILE 16 38.914 8.784 -2.666 128 HD11 ILE 16 HD1 ILE 16 40.051 7.790 -4.471 129 HD12 ILE 16 HD2 ILE 16 41.069 7.618 -3.019 130 HD13 ILE 16 HD3 ILE 16 41.798 7.506 -4.639 131 H HIS 17 HN HIS 17 41.451 10.982 -0.579 132 HA HIS 17 HA HIS 17 40.658 13.394 0.821 133 HB2 HIS 17 HB2 HIS 17 38.811 10.977 0.882 134 HB3 HIS 17 HB1 HIS 17 38.932 12.063 2.286 135 HD1 HIS 17 HD1 HIS 17 38.977 14.817 1.180 136 HD2 HIS 17 HD2 HIS 17 36.561 11.802 -0.480 137 HE1 HIS 17 HE1 HIS 17 37.118 15.971 -0.140 138 H GLY 18 HN GLY 18 43.050 12.564 0.904 139 HA2 GLY 18 HA1 GLY 18 44.729 11.724 2.275 140 HA3 GLY 18 HA2 GLY 18 43.526 11.634 3.563 141 H MET 19 HN MET 19 43.963 10.069 0.424 142 HA MET 19 HA MET 19 43.638 7.854 -0.014 143 HB2 MET 19 HB2 MET 19 45.480 7.635 2.296 144 HB3 MET 19 HB1 MET 19 45.163 6.305 1.156 145 HG2 MET 19 HG2 MET 19 46.057 7.599 -0.698 146 HG3 MET 19 HG1 MET 19 46.208 9.045 0.327 147 HE1 MET 19 HE1 MET 19 47.242 5.214 1.522 148 HE2 MET 19 HE2 MET 19 48.614 5.163 0.390 149 HE3 MET 19 HE3 MET 19 46.970 5.466 -0.218 150 H ILE 20 HN ILE 20 41.805 9.029 2.063 151 HA ILE 20 HA ILE 20 40.121 8.175 3.423 152 HB ILE 20 HB ILE 20 40.581 5.744 1.620 153 HG12 ILE 20 HG12 ILE 20 38.314 6.321 0.835 154 HG13 ILE 20 HG11 ILE 20 38.221 7.632 2.034 155 HG21 ILE 20 HG21 ILE 20 38.432 4.848 2.718 156 HG22 ILE 20 HG22 ILE 20 38.747 6.006 4.034 157 HG23 ILE 20 HG23 ILE 20 39.920 4.714 3.683 158 HD11 ILE 20 HD1 ILE 20 38.882 8.301 -0.362 159 HD12 ILE 20 HD2 ILE 20 40.439 7.502 -0.043 160 HD13 ILE 20 HD3 ILE 20 39.929 8.892 0.945 161 H GLN 21 HN GLN 21 43.306 7.173 3.219 162 HA GLN 21 HA GLN 21 43.176 5.579 5.808 163 HB2 GLN 21 HB2 GLN 21 44.325 4.612 3.734 164 HB3 GLN 21 HB1 GLN 21 45.537 5.901 3.913 165 HG2 GLN 21 HG2 GLN 21 46.424 3.993 5.072 166 HG3 GLN 21 HG1 GLN 21 45.841 5.107 6.332 167 HE21 GLN 21 HE21 GLN 21 44.460 4.215 7.871 168 HE22 GLN 21 HE22 GLN 21 43.550 2.718 7.638 169 H ASN 22 HN ASN 22 44.790 8.317 4.114 170 HA ASN 22 HA ASN 22 46.130 9.150 6.608 171 HB2 ASN 22 HB2 ASN 22 45.937 10.203 3.755 172 HB3 ASN 22 HB1 ASN 22 46.641 11.194 5.060 173 HD21 ASN 22 HD21 ASN 22 48.731 11.004 3.802 174 HD22 ASN 22 HD22 ASN 22 49.689 9.532 3.995 175 H HIS 23 HN HIS 23 43.272 9.739 4.619 176 HA HIS 23 HA HIS 23 41.428 11.121 5.008 177 HB2 HIS 23 HB2 HIS 23 41.341 9.637 7.036 178 HB3 HIS 23 HB1 HIS 23 42.226 10.893 7.934 179 HD1 HIS 23 HD1 HIS 23 40.874 12.760 8.933 180 HD2 HIS 23 HD2 HIS 23 38.771 10.699 5.928 181 HE1 HIS 23 HE1 HIS 23 38.482 13.661 8.920 182 H HIS 24 HN HIS 24 44.433 12.223 5.210 183 HA HIS 24 HA HIS 24 43.651 14.992 5.163 184 HB2 HIS 24 HB2 HIS 24 44.931 15.700 7.222 185 HB3 HIS 24 HB1 HIS 24 43.418 14.825 7.561 186 HD1 HIS 24 HD1 HIS 24 46.802 13.341 6.536 187 HD2 HIS 24 HD2 HIS 24 44.197 13.406 9.837 188 HE1 HIS 24 HE1 HIS 24 47.690 11.658 8.240 Start of MODEL 31 1 H1 PHE 1 HT1 PHE 1 54.480 6.314 -11.872 2 H2 PHE 1 HT2 PHE 1 54.259 5.439 -13.312 3 H3 PHE 1 HT3 PHE 1 55.762 6.151 -12.968 4 HA PHE 1 HA PHE 1 54.585 3.697 -12.007 5 HB2 PHE 1 HB2 PHE 1 57.469 4.634 -12.261 6 HB3 PHE 1 HB1 PHE 1 56.892 2.959 -12.082 7 HD1 PHE 1 HD1 PHE 1 57.007 5.909 -14.357 8 HD2 PHE 1 HD2 PHE 1 55.975 1.736 -13.964 9 HE1 PHE 1 HE1 PHE 1 56.760 5.738 -16.830 10 HE2 PHE 1 HE2 PHE 1 55.728 1.566 -16.438 11 HZ PHE 1 HZ PHE 1 56.087 3.575 -17.867 12 H LEU 2 HN LEU 2 55.855 2.721 -10.084 13 HA LEU 2 HA LEU 2 56.815 4.499 -8.037 14 HB2 LEU 2 HB2 LEU 2 54.817 4.008 -6.434 15 HB3 LEU 2 HB1 LEU 2 54.635 5.302 -7.638 16 HG LEU 2 HG LEU 2 53.457 3.700 -9.155 17 HD11 LEU 2 HD11 LEU 2 54.230 1.537 -8.581 18 HD12 LEU 2 HD12 LEU 2 52.594 1.560 -7.891 19 HD13 LEU 2 HD13 LEU 2 54.007 1.811 -6.837 20 HD21 LEU 2 HD21 LEU 2 52.198 5.158 -7.601 21 HD22 LEU 2 HD22 LEU 2 52.307 3.911 -6.337 22 HD23 LEU 2 HD23 LEU 2 51.373 3.597 -7.818 23 H GLY 3 HN GLY 3 56.714 3.265 -5.793 24 HA2 GLY 3 HA1 GLY 3 56.430 0.498 -5.609 25 HA3 GLY 3 HA2 GLY 3 58.046 0.739 -6.300 26 H ALA 4 HN ALA 4 56.642 3.112 -4.141 27 HA ALA 4 HA ALA 4 57.761 2.002 -1.707 28 HB1 ALA 4 HB1 ALA 4 59.619 3.514 -1.391 29 HB2 ALA 4 HB2 ALA 4 59.268 4.338 -2.929 30 HB3 ALA 4 HB3 ALA 4 59.850 2.655 -2.932 31 H LEU 5 HN LEU 5 55.580 3.735 -3.267 32 HA LEU 5 HA LEU 5 54.066 5.388 -2.665 33 HB2 LEU 5 HB2 LEU 5 54.930 4.911 0.208 34 HB3 LEU 5 HB1 LEU 5 53.331 5.398 -0.401 35 HG LEU 5 HG LEU 5 54.683 2.704 -0.891 36 HD11 LEU 5 HD11 LEU 5 53.888 3.010 1.431 37 HD12 LEU 5 HD12 LEU 5 52.867 1.839 0.561 38 HD13 LEU 5 HD13 LEU 5 52.289 3.503 0.825 39 HD21 LEU 5 HD21 LEU 5 52.296 2.158 -1.737 40 HD22 LEU 5 HD22 LEU 5 53.308 3.166 -2.798 41 HD23 LEU 5 HD23 LEU 5 52.039 3.919 -1.800 42 H ILE 6 HN ILE 6 54.849 7.264 -3.491 43 HA ILE 6 HA ILE 6 56.115 9.126 -1.518 44 HB ILE 6 HB ILE 6 57.920 9.780 -3.108 45 HG12 ILE 6 HG12 ILE 6 56.927 7.399 -4.749 46 HG13 ILE 6 HG11 ILE 6 56.805 9.109 -5.221 47 HG21 ILE 6 HG21 ILE 6 58.214 7.939 -1.353 48 HG22 ILE 6 HG22 ILE 6 59.391 7.936 -2.686 49 HG23 ILE 6 HG23 ILE 6 58.045 6.770 -2.684 50 HD11 ILE 6 HD1 ILE 6 59.291 7.384 -4.975 51 HD12 ILE 6 HD2 ILE 6 59.400 9.162 -4.924 52 HD13 ILE 6 HD3 ILE 6 58.738 8.349 -6.362 53 H LYS 7 HN LYS 7 56.858 10.923 -3.860 54 HA LYS 7 HA LYS 7 55.741 12.820 -4.619 55 HB2 LYS 7 HB2 LYS 7 53.582 10.738 -5.233 56 HB3 LYS 7 HB1 LYS 7 53.393 12.462 -5.626 57 HG2 LYS 7 HG2 LYS 7 55.500 12.347 -6.977 58 HG3 LYS 7 HG1 LYS 7 55.577 10.598 -6.652 59 HD2 LYS 7 HD2 LYS 7 53.232 10.422 -7.642 60 HD3 LYS 7 HD1 LYS 7 53.416 12.111 -8.173 61 HE2 LYS 7 HE2 LYS 7 54.052 10.554 -9.985 62 HE3 LYS 7 HE1 LYS 7 55.464 11.486 -9.433 63 HZ1 LYS 7 HZ1 LYS 7 54.891 8.912 -8.139 64 HZ2 LYS 7 HZ2 LYS 7 56.382 9.675 -8.429 65 HZ3 LYS 7 HZ3 LYS 7 55.564 8.891 -9.696 66 H GLY 8 HN GLY 8 55.887 11.587 -2.215 67 HA2 GLY 8 HA1 GLY 8 55.108 11.281 -0.151 68 HA3 GLY 8 HA2 GLY 8 54.895 13.074 -0.221 69 H ALA 9 HN ALA 9 53.357 9.958 -0.872 70 HA ALA 9 HA ALA 9 51.186 9.238 -0.683 71 HB1 ALA 9 HB1 ALA 9 51.395 10.520 1.547 72 HB2 ALA 9 HB2 ALA 9 49.752 10.223 0.926 73 HB3 ALA 9 HB3 ALA 9 50.499 11.827 0.741 74 H ILE 10 HN ILE 10 51.379 9.654 -3.037 75 HA ILE 10 HA ILE 10 50.730 10.699 -5.012 76 HB ILE 10 HB ILE 10 48.042 11.234 -4.848 77 HG12 ILE 10 HG12 ILE 10 48.639 9.352 -2.507 78 HG13 ILE 10 HG11 ILE 10 47.946 10.986 -2.391 79 HG21 ILE 10 HG21 ILE 10 49.235 9.404 -6.171 80 HG22 ILE 10 HG22 ILE 10 47.633 8.961 -5.554 81 HG23 ILE 10 HG23 ILE 10 49.095 8.374 -4.728 82 HD11 ILE 10 HD1 ILE 10 46.107 10.039 -4.027 83 HD12 ILE 10 HD2 ILE 10 46.030 9.628 -2.298 84 HD13 ILE 10 HD3 ILE 10 46.682 8.452 -3.461 85 H HIS 11 HN HIS 11 48.302 12.537 -3.204 86 HA HIS 11 HA HIS 11 49.903 15.045 -3.706 87 HB2 HIS 11 HB2 HIS 11 48.042 14.721 -5.391 88 HB3 HIS 11 HB1 HIS 11 46.890 14.767 -4.034 89 HD1 HIS 11 HD1 HIS 11 46.425 16.985 -5.925 90 HD2 HIS 11 HD2 HIS 11 49.429 17.267 -2.996 91 HE1 HIS 11 HE1 HIS 11 46.885 19.469 -5.541 92 H GLY 12 HN GLY 12 49.924 13.569 -1.318 93 HA2 GLY 12 HA1 GLY 12 49.749 14.061 0.948 94 HA3 GLY 12 HA2 GLY 12 49.030 15.626 0.518 95 H GLY 13 HN GLY 13 47.725 12.597 -0.672 96 HA2 GLY 13 HA1 GLY 13 45.774 11.460 -0.135 97 HA3 GLY 13 HA2 GLY 13 45.778 12.263 1.449 98 H ARG 14 HN ARG 14 45.998 14.228 -1.403 99 HA ARG 14 HA ARG 14 43.197 15.199 -0.895 100 HB2 ARG 14 HB2 ARG 14 45.484 16.513 -2.418 101 HB3 ARG 14 HB1 ARG 14 43.906 17.242 -2.036 102 HG2 ARG 14 HG2 ARG 14 45.980 16.305 0.000 103 HG3 ARG 14 HG1 ARG 14 45.639 17.995 -0.436 104 HD2 ARG 14 HD2 ARG 14 43.137 17.338 0.229 105 HD3 ARG 14 HD1 ARG 14 43.951 16.057 1.160 106 HE ARG 14 HE ARG 14 45.224 18.587 1.674 107 HH11 ARG 14 HH11 ARG 14 41.950 17.998 1.781 108 HH12 ARG 14 HH12 ARG 14 41.771 18.229 3.489 109 HH21 ARG 14 HH21 ARG 14 45.183 18.363 4.094 110 HH22 ARG 14 HH22 ARG 14 43.603 18.434 4.798 111 H PHE 15 HN PHE 15 45.390 13.934 -3.398 112 HA PHE 15 HA PHE 15 43.690 14.436 -5.635 113 HB2 PHE 15 HB2 PHE 15 45.993 13.591 -5.882 114 HB3 PHE 15 HB1 PHE 15 45.521 12.052 -5.122 115 HD1 PHE 15 HD1 PHE 15 44.589 10.302 -6.444 116 HD2 PHE 15 HD2 PHE 15 44.719 14.323 -8.009 117 HE1 PHE 15 HE1 PHE 15 43.813 9.465 -8.658 118 HE2 PHE 15 HE2 PHE 15 43.943 13.486 -10.223 119 HZ PHE 15 HZ PHE 15 43.391 11.073 -10.515 120 H ILE 16 HN ILE 16 41.546 14.186 -4.970 121 HA ILE 16 HA ILE 16 39.644 13.045 -4.258 122 HB ILE 16 HB ILE 16 39.097 11.045 -5.730 123 HG12 ILE 16 HG12 ILE 16 41.758 11.766 -7.055 124 HG13 ILE 16 HG11 ILE 16 41.503 10.320 -6.055 125 HG21 ILE 16 HG21 ILE 16 38.621 13.479 -6.300 126 HG22 ILE 16 HG22 ILE 16 38.777 12.405 -7.704 127 HG23 ILE 16 HG23 ILE 16 40.124 13.478 -7.253 128 HD11 ILE 16 HD1 ILE 16 39.514 9.820 -7.692 129 HD12 ILE 16 HD2 ILE 16 41.175 9.519 -8.252 130 HD13 ILE 16 HD3 ILE 16 40.320 10.990 -8.766 131 H HIS 17 HN HIS 17 41.001 12.702 -2.189 132 HA HIS 17 HA HIS 17 40.592 9.856 -1.445 133 HB2 HIS 17 HB2 HIS 17 43.294 11.245 -1.457 134 HB3 HIS 17 HB1 HIS 17 42.937 9.975 -0.262 135 HD1 HIS 17 HD1 HIS 17 44.339 10.389 -3.548 136 HD2 HIS 17 HD2 HIS 17 41.885 7.503 -1.724 137 HE1 HIS 17 HE1 HIS 17 44.457 8.276 -4.979 138 H GLY 18 HN GLY 18 41.224 13.244 -0.718 139 HA2 GLY 18 HA1 GLY 18 41.232 13.301 2.067 140 HA3 GLY 18 HA2 GLY 18 40.386 14.502 1.058 141 H MET 19 HN MET 19 38.650 12.652 -0.158 142 HA MET 19 HA MET 19 37.001 11.029 1.080 143 HB2 MET 19 HB2 MET 19 36.733 13.626 2.519 144 HB3 MET 19 HB1 MET 19 35.242 12.733 2.190 145 HG2 MET 19 HG2 MET 19 35.734 11.048 3.697 146 HG3 MET 19 HG1 MET 19 37.479 11.099 3.378 147 HE1 MET 19 HE1 MET 19 35.994 10.963 6.464 148 HE2 MET 19 HE2 MET 19 37.483 11.688 7.115 149 HE3 MET 19 HE3 MET 19 37.572 10.540 5.758 150 H ILE 20 HN ILE 20 37.844 12.823 -1.226 151 HA ILE 20 HA ILE 20 36.813 13.504 -3.188 152 HB ILE 20 HB ILE 20 34.221 12.151 -2.286 153 HG12 ILE 20 HG12 ILE 20 35.899 10.446 -1.967 154 HG13 ILE 20 HG11 ILE 20 35.084 10.091 -3.501 155 HG21 ILE 20 HG21 ILE 20 33.828 13.375 -4.256 156 HG22 ILE 20 HG22 ILE 20 34.158 11.739 -4.865 157 HG23 ILE 20 HG23 ILE 20 35.416 12.989 -4.950 158 HD11 ILE 20 HD1 ILE 20 37.450 9.814 -3.873 159 HD12 ILE 20 HD2 ILE 20 37.823 11.371 -3.102 160 HD13 ILE 20 HD3 ILE 20 36.990 11.330 -4.673 161 H GLN 21 HN GLN 21 35.932 13.979 -0.001 162 HA GLN 21 HA GLN 21 34.159 16.371 -0.678 163 HB2 GLN 21 HB2 GLN 21 33.240 14.552 0.841 164 HB3 GLN 21 HB1 GLN 21 34.511 14.986 2.009 165 HG2 GLN 21 HG2 GLN 21 33.677 17.303 2.094 166 HG3 GLN 21 HG1 GLN 21 32.435 16.915 0.878 167 HE21 GLN 21 HE21 GLN 21 30.492 16.993 2.056 168 HE22 GLN 21 HE22 GLN 21 30.212 16.061 3.530 169 H ASN 22 HN ASN 22 37.086 15.216 1.016 170 HA ASN 22 HA ASN 22 37.706 18.055 1.799 171 HB2 ASN 22 HB2 ASN 22 37.843 16.447 3.631 172 HB3 ASN 22 HB1 ASN 22 38.885 15.380 2.665 173 HD21 ASN 22 HD21 ASN 22 40.685 15.567 4.189 174 HD22 ASN 22 HD22 ASN 22 41.602 17.071 4.314 175 H HIS 23 HN HIS 23 38.257 15.607 -0.488 176 HA HIS 23 HA HIS 23 40.906 15.722 -1.256 177 HB2 HIS 23 HB2 HIS 23 40.114 15.398 -3.573 178 HB3 HIS 23 HB1 HIS 23 39.149 14.439 -2.425 179 HD1 HIS 23 HD1 HIS 23 37.641 17.236 -1.445 180 HD2 HIS 23 HD2 HIS 23 37.776 15.528 -5.288 181 HE1 HIS 23 HE1 HIS 23 35.630 18.127 -2.746 182 H HIS 24 HN HIS 24 38.596 18.334 -1.303 183 HA HIS 24 HA HIS 24 40.697 20.258 -1.910 184 HB2 HIS 24 HB2 HIS 24 40.128 19.369 -4.201 185 HB3 HIS 24 HB1 HIS 24 38.469 19.968 -3.963 186 HD1 HIS 24 HD1 HIS 24 39.701 22.552 -2.265 187 HD2 HIS 24 HD2 HIS 24 40.418 21.421 -6.252 188 HE1 HIS 24 HE1 HIS 24 40.513 24.628 -3.510 Start of MODEL 32 1 H1 PHE 1 HT1 PHE 1 57.435 2.049 -12.432 2 H2 PHE 1 HT2 PHE 1 56.985 2.424 -14.028 3 H3 PHE 1 HT3 PHE 1 56.174 1.196 -13.178 4 HA PHE 1 HA PHE 1 56.192 4.050 -12.433 5 HB2 PHE 1 HB2 PHE 1 55.006 3.538 -14.595 6 HB3 PHE 1 HB1 PHE 1 53.959 2.413 -13.695 7 HD1 PHE 1 HD1 PHE 1 54.901 5.970 -14.182 8 HD2 PHE 1 HD2 PHE 1 52.294 3.229 -12.104 9 HE1 PHE 1 HE1 PHE 1 53.466 7.877 -13.469 10 HE2 PHE 1 HE2 PHE 1 50.857 5.136 -11.391 11 HZ PHE 1 HZ PHE 1 51.490 7.467 -12.005 12 H LEU 2 HN LEU 2 56.216 3.976 -10.259 13 HA LEU 2 HA LEU 2 55.048 1.797 -8.749 14 HB2 LEU 2 HB2 LEU 2 55.624 4.587 -7.695 15 HB3 LEU 2 HB1 LEU 2 55.659 3.042 -6.814 16 HG LEU 2 HG LEU 2 57.573 3.918 -9.022 17 HD11 LEU 2 HD11 LEU 2 57.856 4.936 -6.723 18 HD12 LEU 2 HD12 LEU 2 59.240 3.951 -7.256 19 HD13 LEU 2 HD13 LEU 2 58.078 3.291 -6.081 20 HD21 LEU 2 HD21 LEU 2 58.765 1.735 -8.266 21 HD22 LEU 2 HD22 LEU 2 57.324 1.557 -9.292 22 HD23 LEU 2 HD23 LEU 2 57.206 1.283 -7.537 23 H GLY 3 HN GLY 3 53.824 3.527 -6.700 24 HA2 GLY 3 HA1 GLY 3 51.546 4.863 -7.873 25 HA3 GLY 3 HA2 GLY 3 51.122 3.219 -7.353 26 H ALA 4 HN ALA 4 53.609 4.102 -5.409 27 HA ALA 4 HA ALA 4 52.215 5.866 -3.552 28 HB1 ALA 4 HB1 ALA 4 52.598 2.980 -2.694 29 HB2 ALA 4 HB2 ALA 4 51.037 3.666 -3.208 30 HB3 ALA 4 HB3 ALA 4 51.855 4.300 -1.759 31 H LEU 5 HN LEU 5 53.498 4.997 -1.191 32 HA LEU 5 HA LEU 5 55.552 4.973 -0.125 33 HB2 LEU 5 HB2 LEU 5 56.170 3.480 -2.260 34 HB3 LEU 5 HB1 LEU 5 57.114 4.907 -2.715 35 HG LEU 5 HG LEU 5 58.603 3.474 -1.521 36 HD11 LEU 5 HD11 LEU 5 59.353 4.869 0.258 37 HD12 LEU 5 HD12 LEU 5 57.719 5.481 0.588 38 HD13 LEU 5 HD13 LEU 5 58.561 5.950 -0.907 39 HD21 LEU 5 HD21 LEU 5 56.812 3.375 0.939 40 HD22 LEU 5 HD22 LEU 5 58.159 2.314 0.485 41 HD23 LEU 5 HD23 LEU 5 56.612 2.196 -0.376 42 H ILE 6 HN ILE 6 55.653 6.800 -3.215 43 HA ILE 6 HA ILE 6 56.386 9.260 -1.611 44 HB ILE 6 HB ILE 6 58.403 8.038 -2.853 45 HG12 ILE 6 HG12 ILE 6 59.142 10.502 -3.693 46 HG13 ILE 6 HG11 ILE 6 57.675 10.982 -2.813 47 HG21 ILE 6 HG21 ILE 6 58.591 8.130 -5.156 48 HG22 ILE 6 HG22 ILE 6 57.644 9.623 -5.302 49 HG23 ILE 6 HG23 ILE 6 56.817 8.067 -5.060 50 HD11 ILE 6 HD1 ILE 6 58.602 9.569 -0.851 51 HD12 ILE 6 HD2 ILE 6 59.416 11.112 -1.201 52 HD13 ILE 6 HD3 ILE 6 60.144 9.581 -1.739 53 H LYS 7 HN LYS 7 56.706 10.734 -4.231 54 HA LYS 7 HA LYS 7 55.210 12.192 -5.257 55 HB2 LYS 7 HB2 LYS 7 54.476 9.978 -6.454 56 HB3 LYS 7 HB1 LYS 7 53.160 9.926 -5.263 57 HG2 LYS 7 HG2 LYS 7 52.123 11.065 -7.039 58 HG3 LYS 7 HG1 LYS 7 52.708 12.423 -6.051 59 HD2 LYS 7 HD2 LYS 7 54.696 12.647 -7.494 60 HD3 LYS 7 HD1 LYS 7 54.194 11.227 -8.440 61 HE2 LYS 7 HE2 LYS 7 52.635 13.834 -8.163 62 HE3 LYS 7 HE1 LYS 7 53.549 13.309 -9.597 63 HZ1 LYS 7 HZ1 LYS 7 51.995 11.182 -9.173 64 HZ2 LYS 7 HZ2 LYS 7 51.561 12.472 -10.189 65 HZ3 LYS 7 HZ3 LYS 7 50.971 12.404 -8.597 66 H GLY 8 HN GLY 8 55.657 11.459 -2.691 67 HA2 GLY 8 HA1 GLY 8 55.018 11.395 -0.563 68 HA3 GLY 8 HA2 GLY 8 54.430 13.062 -0.931 69 H ALA 9 HN ALA 9 53.624 9.695 -0.492 70 HA ALA 9 HA ALA 9 51.618 8.574 -0.264 71 HB1 ALA 9 HB1 ALA 9 50.002 9.706 1.277 72 HB2 ALA 9 HB2 ALA 9 50.993 11.177 1.167 73 HB3 ALA 9 HB3 ALA 9 51.675 9.698 1.879 74 H ILE 10 HN ILE 10 51.512 8.912 -2.681 75 HA ILE 10 HA ILE 10 50.181 9.227 -4.530 76 HB ILE 10 HB ILE 10 48.161 9.442 -2.295 77 HG12 ILE 10 HG12 ILE 10 46.998 7.745 -3.701 78 HG13 ILE 10 HG11 ILE 10 48.250 7.942 -4.950 79 HG21 ILE 10 HG21 ILE 10 47.652 10.655 -5.033 80 HG22 ILE 10 HG22 ILE 10 47.271 11.321 -3.422 81 HG23 ILE 10 HG23 ILE 10 46.333 9.957 -4.068 82 HD11 ILE 10 HD1 ILE 10 48.643 5.984 -3.404 83 HD12 ILE 10 HD2 ILE 10 48.823 7.142 -2.064 84 HD13 ILE 10 HD3 ILE 10 49.977 7.161 -3.419 85 H HIS 11 HN HIS 11 48.947 11.835 -2.397 86 HA HIS 11 HA HIS 11 50.204 13.846 -4.246 87 HB2 HIS 11 HB2 HIS 11 47.852 13.573 -4.930 88 HB3 HIS 11 HB1 HIS 11 47.322 13.808 -3.247 89 HD1 HIS 11 HD1 HIS 11 46.601 16.134 -2.742 90 HD2 HIS 11 HD2 HIS 11 49.571 16.030 -5.719 91 HE1 HIS 11 HE1 HIS 11 47.011 18.541 -3.494 92 H GLY 12 HN GLY 12 49.603 12.587 -1.195 93 HA2 GLY 12 HA1 GLY 12 50.810 13.475 0.719 94 HA3 GLY 12 HA2 GLY 12 50.632 15.116 0.082 95 H GLY 13 HN GLY 13 47.786 14.789 -0.589 96 HA2 GLY 13 HA1 GLY 13 46.345 14.014 1.777 97 HA3 GLY 13 HA2 GLY 13 46.672 15.757 1.812 98 H ARG 14 HN ARG 14 45.469 13.211 -0.408 99 HA ARG 14 HA ARG 14 43.031 14.760 -0.874 100 HB2 ARG 14 HB2 ARG 14 44.497 15.941 -2.441 101 HB3 ARG 14 HB1 ARG 14 45.051 14.401 -3.128 102 HG2 ARG 14 HG2 ARG 14 43.315 15.530 -4.539 103 HG3 ARG 14 HG1 ARG 14 42.809 13.919 -3.990 104 HD2 ARG 14 HD2 ARG 14 41.116 15.928 -3.793 105 HD3 ARG 14 HD1 ARG 14 41.268 14.794 -2.429 106 HE ARG 14 HE ARG 14 42.217 16.551 -1.155 107 HH11 ARG 14 HH11 ARG 14 41.129 17.764 -4.075 108 HH12 ARG 14 HH12 ARG 14 42.126 19.180 -4.068 109 HH21 ARG 14 HH21 ARG 14 43.991 18.175 -1.324 110 HH22 ARG 14 HH22 ARG 14 43.747 19.412 -2.510 111 H PHE 15 HN PHE 15 45.155 12.031 -1.373 112 HA PHE 15 HA PHE 15 43.727 10.271 -2.950 113 HB2 PHE 15 HB2 PHE 15 45.843 9.711 -1.786 114 HB3 PHE 15 HB1 PHE 15 44.964 9.616 -0.245 115 HD1 PHE 15 HD1 PHE 15 44.685 8.279 -3.777 116 HD2 PHE 15 HD2 PHE 15 44.253 7.471 0.445 117 HE1 PHE 15 HE1 PHE 15 44.074 5.922 -4.287 118 HE2 PHE 15 HE2 PHE 15 43.642 5.114 -0.072 119 HZ PHE 15 HZ PHE 15 43.623 4.322 -2.433 120 H ILE 16 HN ILE 16 42.898 11.390 0.290 121 HA ILE 16 HA ILE 16 40.361 9.757 0.178 122 HB ILE 16 HB ILE 16 41.758 10.908 2.635 123 HG12 ILE 16 HG12 ILE 16 43.157 9.156 1.705 124 HG13 ILE 16 HG11 ILE 16 42.331 8.506 3.134 125 HG21 ILE 16 HG21 ILE 16 39.195 9.359 2.177 126 HG22 ILE 16 HG22 ILE 16 39.529 10.697 3.294 127 HG23 ILE 16 HG23 ILE 16 40.115 9.062 3.671 128 HD11 ILE 16 HD1 ILE 16 41.813 7.915 0.204 129 HD12 ILE 16 HD2 ILE 16 40.541 7.641 1.416 130 HD13 ILE 16 HD3 ILE 16 42.088 6.779 1.542 131 H HIS 17 HN HIS 17 41.304 12.571 2.201 132 HA HIS 17 HA HIS 17 39.610 14.416 0.684 133 HB2 HIS 17 HB2 HIS 17 38.548 13.135 3.227 134 HB3 HIS 17 HB1 HIS 17 38.024 14.760 2.731 135 HD1 HIS 17 HD1 HIS 17 37.703 14.497 -0.269 136 HD2 HIS 17 HD2 HIS 17 36.411 11.559 2.446 137 HE1 HIS 17 HE1 HIS 17 35.933 13.088 -1.456 138 H GLY 18 HN GLY 18 42.294 14.090 1.884 139 HA2 GLY 18 HA1 GLY 18 43.269 16.460 2.466 140 HA3 GLY 18 HA2 GLY 18 42.328 16.237 3.964 141 H MET 19 HN MET 19 42.529 13.711 4.547 142 HA MET 19 HA MET 19 44.830 12.302 4.254 143 HB2 MET 19 HB2 MET 19 45.478 14.654 5.809 144 HB3 MET 19 HB1 MET 19 45.606 13.241 6.873 145 HG2 MET 19 HG2 MET 19 47.053 12.144 5.108 146 HG3 MET 19 HG1 MET 19 47.033 13.683 4.216 147 HE1 MET 19 HE1 MET 19 49.445 12.458 4.669 148 HE2 MET 19 HE2 MET 19 49.484 11.764 6.308 149 HE3 MET 19 HE3 MET 19 50.556 13.122 5.889 150 H ILE 20 HN ILE 20 43.189 10.825 4.275 151 HA ILE 20 HA ILE 20 41.823 9.254 5.317 152 HB ILE 20 HB ILE 20 43.007 10.021 8.024 153 HG12 ILE 20 HG12 ILE 20 44.259 8.279 5.848 154 HG13 ILE 20 HG11 ILE 20 44.933 9.775 6.527 155 HG21 ILE 20 HG21 ILE 20 41.074 8.315 7.692 156 HG22 ILE 20 HG22 ILE 20 42.480 7.769 8.630 157 HG23 ILE 20 HG23 ILE 20 42.292 7.265 6.934 158 HD11 ILE 20 HD1 ILE 20 46.091 8.038 7.663 159 HD12 ILE 20 HD2 ILE 20 44.612 7.072 7.871 160 HD13 ILE 20 HD3 ILE 20 44.844 8.562 8.819 161 H GLN 21 HN GLN 21 41.634 12.202 5.093 162 HA GLN 21 HA GLN 21 39.688 13.566 5.241 163 HB2 GLN 21 HB2 GLN 21 38.436 11.518 6.358 164 HB3 GLN 21 HB1 GLN 21 38.877 12.302 7.891 165 HG2 GLN 21 HG2 GLN 21 37.836 14.439 6.994 166 HG3 GLN 21 HG1 GLN 21 37.224 13.486 5.622 167 HE21 GLN 21 HE21 GLN 21 37.505 12.547 9.113 168 HE22 GLN 21 HE22 GLN 21 35.777 12.243 9.312 169 H ASN 22 HN ASN 22 42.382 13.602 6.072 170 HA ASN 22 HA ASN 22 43.860 14.700 7.457 171 HB2 ASN 22 HB2 ASN 22 43.026 16.544 6.197 172 HB3 ASN 22 HB1 ASN 22 41.599 16.707 7.260 173 HD21 ASN 22 HD21 ASN 22 45.233 16.774 7.392 174 HD22 ASN 22 HD22 ASN 22 45.300 17.972 8.688 175 H HIS 23 HN HIS 23 42.728 12.758 8.770 176 HA HIS 23 HA HIS 23 42.264 12.002 10.920 177 HB2 HIS 23 HB2 HIS 23 44.355 13.277 11.406 178 HB3 HIS 23 HB1 HIS 23 43.362 14.705 11.786 179 HD1 HIS 23 HD1 HIS 23 43.748 11.042 12.888 180 HD2 HIS 23 HD2 HIS 23 42.367 14.722 14.381 181 HE1 HIS 23 HE1 HIS 23 43.215 10.708 15.364 182 H HIS 24 HN HIS 24 40.883 12.248 12.820 183 HA HIS 24 HA HIS 24 39.080 14.537 12.974 184 HB2 HIS 24 HB2 HIS 24 38.148 13.358 10.987 185 HB3 HIS 24 HB1 HIS 24 37.941 11.895 11.979 186 HD1 HIS 24 HD1 HIS 24 35.898 11.744 13.465 187 HD2 HIS 24 HD2 HIS 24 36.462 15.583 11.842 188 HE1 HIS 24 HE1 HIS 24 33.848 13.139 14.079 Start of MODEL 33 1 H1 PHE 1 HT1 PHE 1 57.631 5.024 6.124 2 H2 PHE 1 HT2 PHE 1 58.365 6.369 6.860 3 H3 PHE 1 HT3 PHE 1 59.013 4.813 7.083 4 HA PHE 1 HA PHE 1 59.081 6.546 4.723 5 HB2 PHE 1 HB2 PHE 1 61.162 4.843 6.153 6 HB3 PHE 1 HB1 PHE 1 61.464 5.927 4.774 7 HD1 PHE 1 HD1 PHE 1 61.325 8.376 5.030 8 HD2 PHE 1 HD2 PHE 1 60.701 5.733 8.385 9 HE1 PHE 1 HE1 PHE 1 61.576 10.300 6.593 10 HE2 PHE 1 HE2 PHE 1 60.951 7.658 9.948 11 HZ PHE 1 HZ PHE 1 61.469 9.926 9.054 12 H LEU 2 HN LEU 2 57.301 4.994 3.901 13 HA LEU 2 HA LEU 2 58.088 2.295 3.207 14 HB2 LEU 2 HB2 LEU 2 55.894 4.179 2.278 15 HB3 LEU 2 HB1 LEU 2 56.115 2.580 1.533 16 HG LEU 2 HG LEU 2 55.921 1.526 3.790 17 HD11 LEU 2 HD11 LEU 2 56.634 3.212 5.310 18 HD12 LEU 2 HD12 LEU 2 54.884 3.090 5.592 19 HD13 LEU 2 HD13 LEU 2 55.537 4.430 4.617 20 HD21 LEU 2 HD21 LEU 2 53.486 1.926 4.042 21 HD22 LEU 2 HD22 LEU 2 53.936 1.785 2.325 22 HD23 LEU 2 HD23 LEU 2 53.622 3.386 3.035 23 H GLY 3 HN GLY 3 58.509 5.463 1.748 24 HA2 GLY 3 HA1 GLY 3 59.716 6.118 -0.110 25 HA3 GLY 3 HA2 GLY 3 60.567 4.564 0.000 26 H ALA 4 HN ALA 4 57.275 3.981 -0.208 27 HA ALA 4 HA ALA 4 57.494 2.816 -2.822 28 HB1 ALA 4 HB1 ALA 4 54.979 2.663 -2.644 29 HB2 ALA 4 HB2 ALA 4 55.101 3.561 -1.112 30 HB3 ALA 4 HB3 ALA 4 55.870 1.964 -1.272 31 H LEU 5 HN LEU 5 54.762 4.945 -2.310 32 HA LEU 5 HA LEU 5 55.183 6.163 -4.933 33 HB2 LEU 5 HB2 LEU 5 53.205 7.086 -2.821 34 HB3 LEU 5 HB1 LEU 5 53.072 7.199 -4.593 35 HG LEU 5 HG LEU 5 53.015 4.647 -2.922 36 HD11 LEU 5 HD11 LEU 5 50.940 6.053 -2.913 37 HD12 LEU 5 HD12 LEU 5 50.702 4.483 -3.718 38 HD13 LEU 5 HD13 LEU 5 50.902 5.960 -4.690 39 HD21 LEU 5 HD21 LEU 5 54.122 4.062 -4.961 40 HD22 LEU 5 HD22 LEU 5 53.083 5.136 -5.929 41 HD23 LEU 5 HD23 LEU 5 52.416 3.639 -5.235 42 H ILE 6 HN ILE 6 55.215 7.336 -1.543 43 HA ILE 6 HA ILE 6 55.847 9.463 -0.703 44 HB ILE 6 HB ILE 6 57.952 8.110 -0.720 45 HG12 ILE 6 HG12 ILE 6 58.895 10.846 -1.630 46 HG13 ILE 6 HG11 ILE 6 57.776 10.773 -0.250 47 HG21 ILE 6 HG21 ILE 6 58.251 7.538 -3.023 48 HG22 ILE 6 HG22 ILE 6 59.628 8.577 -2.597 49 HG23 ILE 6 HG23 ILE 6 58.269 9.243 -3.528 50 HD11 ILE 6 HD1 ILE 6 60.127 10.725 0.509 51 HD12 ILE 6 HD2 ILE 6 60.427 9.277 -0.480 52 HD13 ILE 6 HD3 ILE 6 59.307 9.196 0.901 53 H LYS 7 HN LYS 7 54.343 9.531 -3.186 54 HA LYS 7 HA LYS 7 55.374 12.110 -4.315 55 HB2 LYS 7 HB2 LYS 7 52.799 10.510 -4.788 56 HB3 LYS 7 HB1 LYS 7 53.119 12.104 -5.511 57 HG2 LYS 7 HG2 LYS 7 55.149 11.192 -6.615 58 HG3 LYS 7 HG1 LYS 7 54.806 9.594 -5.909 59 HD2 LYS 7 HD2 LYS 7 52.602 9.573 -7.075 60 HD3 LYS 7 HD1 LYS 7 53.001 11.138 -7.824 61 HE2 LYS 7 HE2 LYS 7 54.928 10.155 -8.961 62 HE3 LYS 7 HE1 LYS 7 54.669 8.604 -8.127 63 HZ1 LYS 7 HZ1 LYS 7 52.624 8.300 -9.258 64 HZ2 LYS 7 HZ2 LYS 7 53.763 8.739 -10.439 65 HZ3 LYS 7 HZ3 LYS 7 52.633 9.877 -9.879 66 H GLY 8 HN GLY 8 55.105 11.290 -1.751 67 HA2 GLY 8 HA1 GLY 8 54.580 11.696 0.275 68 HA3 GLY 8 HA2 GLY 8 54.108 13.366 -0.243 69 H ALA 9 HN ALA 9 53.039 10.003 0.011 70 HA ALA 9 HA ALA 9 50.986 9.062 0.407 71 HB1 ALA 9 HB1 ALA 9 50.141 11.779 1.460 72 HB2 ALA 9 HB2 ALA 9 51.139 10.634 2.389 73 HB3 ALA 9 HB3 ALA 9 49.486 10.185 1.902 74 H ILE 10 HN ILE 10 51.290 9.590 -2.136 75 HA ILE 10 HA ILE 10 50.046 9.729 -4.063 76 HB ILE 10 HB ILE 10 47.981 9.494 -2.120 77 HG12 ILE 10 HG12 ILE 10 48.284 8.166 -4.217 78 HG13 ILE 10 HG11 ILE 10 46.608 8.692 -3.952 79 HG21 ILE 10 HG21 ILE 10 47.258 11.780 -4.015 80 HG22 ILE 10 HG22 ILE 10 47.463 11.906 -2.257 81 HG23 ILE 10 HG23 ILE 10 46.151 10.924 -2.924 82 HD11 ILE 10 HD1 ILE 10 48.439 10.433 -5.630 83 HD12 ILE 10 HD2 ILE 10 46.671 10.249 -5.709 84 HD13 ILE 10 HD3 ILE 10 47.727 8.970 -6.349 85 H HIS 11 HN HIS 11 49.440 12.408 -1.792 86 HA HIS 11 HA HIS 11 50.755 14.316 -3.545 87 HB2 HIS 11 HB2 HIS 11 47.717 14.299 -3.346 88 HB3 HIS 11 HB1 HIS 11 48.621 15.793 -3.685 89 HD1 HIS 11 HD1 HIS 11 50.849 14.628 -5.525 90 HD2 HIS 11 HD2 HIS 11 46.739 13.843 -5.933 91 HE1 HIS 11 HE1 HIS 11 50.453 13.878 -7.935 92 H GLY 12 HN GLY 12 49.262 13.203 -0.699 93 HA2 GLY 12 HA1 GLY 12 50.338 14.147 1.381 94 HA3 GLY 12 HA2 GLY 12 49.940 15.761 0.758 95 H GLY 13 HN GLY 13 47.980 12.782 0.650 96 HA2 GLY 13 HA1 GLY 13 45.905 12.321 1.564 97 HA3 GLY 13 HA2 GLY 13 46.314 13.436 2.884 98 H ARG 14 HN ARG 14 45.165 13.291 -0.491 99 HA ARG 14 HA ARG 14 43.256 15.488 0.126 100 HB2 ARG 14 HB2 ARG 14 45.167 16.742 -0.685 101 HB3 ARG 14 HB1 ARG 14 45.384 15.628 -2.051 102 HG2 ARG 14 HG2 ARG 14 44.249 17.809 -2.656 103 HG3 ARG 14 HG1 ARG 14 43.307 16.363 -3.075 104 HD2 ARG 14 HD2 ARG 14 41.785 16.691 -1.284 105 HD3 ARG 14 HD1 ARG 14 42.897 17.781 -0.417 106 HE ARG 14 HE ARG 14 41.028 18.562 -2.501 107 HH11 ARG 14 HH11 ARG 14 43.119 19.597 -4.015 108 HH12 ARG 14 HH12 ARG 14 43.618 21.056 -3.227 109 HH21 ARG 14 HH21 ARG 14 42.097 20.260 -0.213 110 HH22 ARG 14 HH22 ARG 14 43.040 21.432 -1.072 111 H PHE 15 HN PHE 15 44.603 13.418 -2.505 112 HA PHE 15 HA PHE 15 42.068 13.333 -3.899 113 HB2 PHE 15 HB2 PHE 15 44.495 12.821 -4.778 114 HB3 PHE 15 HB1 PHE 15 44.188 11.179 -4.181 115 HD1 PHE 15 HD1 PHE 15 43.313 13.705 -6.710 116 HD2 PHE 15 HD2 PHE 15 42.339 9.809 -5.130 117 HE1 PHE 15 HE1 PHE 15 41.992 13.202 -8.762 118 HE2 PHE 15 HE2 PHE 15 41.018 9.307 -7.182 119 HZ PHE 15 HZ PHE 15 40.900 10.978 -9.026 120 H ILE 16 HN ILE 16 43.785 10.480 -2.549 121 HA ILE 16 HA ILE 16 41.170 9.240 -1.928 122 HB ILE 16 HB ILE 16 42.634 7.369 -1.006 123 HG12 ILE 16 HG12 ILE 16 44.874 9.062 -2.215 124 HG13 ILE 16 HG11 ILE 16 44.598 8.849 -0.472 125 HG21 ILE 16 HG21 ILE 16 43.419 8.143 -3.845 126 HG22 ILE 16 HG22 ILE 16 41.789 7.562 -3.431 127 HG23 ILE 16 HG23 ILE 16 43.199 6.513 -3.170 128 HD11 ILE 16 HD1 ILE 16 44.741 6.293 -0.961 129 HD12 ILE 16 HD2 ILE 16 46.253 7.230 -0.998 130 HD13 ILE 16 HD3 ILE 16 45.454 6.776 -2.519 131 H HIS 17 HN HIS 17 41.251 11.549 -0.645 132 HA HIS 17 HA HIS 17 41.649 10.743 2.232 133 HB2 HIS 17 HB2 HIS 17 43.534 12.237 1.423 134 HB3 HIS 17 HB1 HIS 17 42.316 13.496 1.108 135 HD1 HIS 17 HD1 HIS 17 41.911 15.054 3.007 136 HD2 HIS 17 HD2 HIS 17 43.205 11.276 4.326 137 HE1 HIS 17 HE1 HIS 17 42.154 15.177 5.547 138 H GLY 18 HN GLY 18 40.531 13.646 0.389 139 HA2 GLY 18 HA1 GLY 18 38.299 14.091 2.152 140 HA3 GLY 18 HA2 GLY 18 38.474 14.739 0.498 141 H MET 19 HN MET 19 38.453 12.931 -1.181 142 HA MET 19 HA MET 19 37.226 10.556 -0.938 143 HB2 MET 19 HB2 MET 19 35.171 12.525 -0.428 144 HB3 MET 19 HB1 MET 19 34.794 11.712 -1.958 145 HG2 MET 19 HG2 MET 19 35.108 9.498 -0.756 146 HG3 MET 19 HG1 MET 19 35.246 10.415 0.762 147 HE1 MET 19 HE1 MET 19 33.167 10.067 -2.491 148 HE2 MET 19 HE2 MET 19 31.564 9.644 -1.844 149 HE3 MET 19 HE3 MET 19 32.953 8.569 -1.554 150 H ILE 20 HN ILE 20 38.791 10.240 -2.420 151 HA ILE 20 HA ILE 20 39.571 10.054 -4.602 152 HB ILE 20 HB ILE 20 36.809 10.813 -5.653 153 HG12 ILE 20 HG12 ILE 20 37.688 8.148 -4.441 154 HG13 ILE 20 HG11 ILE 20 36.381 9.200 -3.857 155 HG21 ILE 20 HG21 ILE 20 38.876 10.345 -7.150 156 HG22 ILE 20 HG22 ILE 20 37.398 9.428 -7.510 157 HG23 ILE 20 HG23 ILE 20 38.731 8.654 -6.621 158 HD11 ILE 20 HD1 ILE 20 35.334 8.904 -6.213 159 HD12 ILE 20 HD2 ILE 20 35.264 7.515 -5.103 160 HD13 ILE 20 HD3 ILE 20 36.476 7.551 -6.403 161 H GLN 21 HN GLN 21 39.053 12.457 -2.936 162 HA GLN 21 HA GLN 21 40.106 14.611 -3.195 163 HB2 GLN 21 HB2 GLN 21 40.718 13.997 -5.688 164 HB3 GLN 21 HB1 GLN 21 39.177 14.784 -6.095 165 HG2 GLN 21 HG2 GLN 21 39.943 16.828 -4.859 166 HG3 GLN 21 HG1 GLN 21 41.514 16.038 -4.592 167 HE21 GLN 21 HE21 GLN 21 41.694 14.696 -7.184 168 HE22 GLN 21 HE22 GLN 21 41.929 15.960 -8.395 169 H ASN 22 HN ASN 22 37.604 13.459 -2.494 170 HA ASN 22 HA ASN 22 35.376 13.975 -2.185 171 HB2 ASN 22 HB2 ASN 22 34.995 16.274 -1.347 172 HB3 ASN 22 HB1 ASN 22 36.432 15.486 -0.635 173 HD21 ASN 22 HD21 ASN 22 38.320 16.712 -0.677 174 HD22 ASN 22 HD22 ASN 22 38.615 18.052 -1.789 175 H HIS 23 HN HIS 23 36.004 13.558 -4.749 176 HA HIS 23 HA HIS 23 33.818 15.017 -6.075 177 HB2 HIS 23 HB2 HIS 23 36.709 15.501 -6.892 178 HB3 HIS 23 HB1 HIS 23 35.336 15.787 -7.985 179 HD1 HIS 23 HD1 HIS 23 33.265 17.142 -6.340 180 HD2 HIS 23 HD2 HIS 23 37.359 18.004 -5.917 181 HE1 HIS 23 HE1 HIS 23 33.450 19.434 -5.227 182 H HIS 24 HN HIS 24 33.188 12.733 -6.028 183 HA HIS 24 HA HIS 24 34.728 10.787 -7.535 184 HB2 HIS 24 HB2 HIS 24 32.649 9.415 -7.363 185 HB3 HIS 24 HB1 HIS 24 33.175 10.072 -5.794 186 HD1 HIS 24 HD1 HIS 24 31.741 11.934 -4.695 187 HD2 HIS 24 HD2 HIS 24 30.227 10.534 -8.361 188 HE1 HIS 24 HE1 HIS 24 29.372 12.859 -4.945 Start of MODEL 34 1 H1 PHE 1 HT1 PHE 1 61.880 1.632 5.836 2 H2 PHE 1 HT2 PHE 1 62.049 3.115 5.023 3 H3 PHE 1 HT3 PHE 1 61.557 1.727 4.175 4 HA PHE 1 HA PHE 1 59.521 1.631 5.360 5 HB2 PHE 1 HB2 PHE 1 60.519 2.575 7.483 6 HB3 PHE 1 HB1 PHE 1 60.439 4.187 6.733 7 HD1 PHE 1 HD1 PHE 1 58.367 1.218 7.714 8 HD2 PHE 1 HD2 PHE 1 58.380 5.407 6.670 9 HE1 PHE 1 HE1 PHE 1 55.967 1.387 8.362 10 HE2 PHE 1 HE2 PHE 1 55.979 5.575 7.318 11 HZ PHE 1 HZ PHE 1 54.773 3.565 8.160 12 H LEU 2 HN LEU 2 59.174 1.933 3.079 13 HA LEU 2 HA LEU 2 59.244 4.565 1.887 14 HB2 LEU 2 HB2 LEU 2 57.935 1.932 1.139 15 HB3 LEU 2 HB1 LEU 2 57.696 3.388 0.156 16 HG LEU 2 HG LEU 2 59.581 1.805 -0.572 17 HD11 LEU 2 HD11 LEU 2 60.649 4.583 0.055 18 HD12 LEU 2 HD12 LEU 2 59.363 4.328 -1.145 19 HD13 LEU 2 HD13 LEU 2 60.950 3.565 -1.367 20 HD21 LEU 2 HD21 LEU 2 61.076 3.052 1.774 21 HD22 LEU 2 HD22 LEU 2 61.667 1.821 0.635 22 HD23 LEU 2 HD23 LEU 2 60.390 1.411 1.802 23 H GLY 3 HN GLY 3 56.446 2.475 2.752 24 HA2 GLY 3 HA1 GLY 3 54.452 3.110 3.800 25 HA3 GLY 3 HA2 GLY 3 55.024 4.786 3.885 26 H ALA 4 HN ALA 4 55.662 4.994 1.047 27 HA ALA 4 HA ALA 4 53.253 4.393 -0.464 28 HB1 ALA 4 HB1 ALA 4 52.398 6.643 -0.722 29 HB2 ALA 4 HB2 ALA 4 53.689 7.295 0.315 30 HB3 ALA 4 HB3 ALA 4 52.437 6.238 1.010 31 H LEU 5 HN LEU 5 53.270 5.583 -2.615 32 HA LEU 5 HA LEU 5 55.988 5.380 -3.699 33 HB2 LEU 5 HB2 LEU 5 53.539 6.395 -5.177 34 HB3 LEU 5 HB1 LEU 5 54.958 5.544 -5.829 35 HG LEU 5 HG LEU 5 52.830 4.370 -3.983 36 HD11 LEU 5 HD11 LEU 5 53.579 3.775 -6.882 37 HD12 LEU 5 HD12 LEU 5 52.141 4.680 -6.353 38 HD13 LEU 5 HD13 LEU 5 52.311 2.957 -5.940 39 HD21 LEU 5 HD21 LEU 5 55.453 3.268 -5.077 40 HD22 LEU 5 HD22 LEU 5 54.129 2.204 -4.543 41 HD23 LEU 5 HD23 LEU 5 54.898 3.316 -3.386 42 H ILE 6 HN ILE 6 56.148 7.328 -1.839 43 HA ILE 6 HA ILE 6 56.485 9.627 -1.458 44 HB ILE 6 HB ILE 6 57.608 9.941 -4.272 45 HG12 ILE 6 HG12 ILE 6 58.087 7.533 -3.746 46 HG13 ILE 6 HG11 ILE 6 59.548 8.532 -3.853 47 HG21 ILE 6 HG21 ILE 6 58.652 10.488 -1.454 48 HG22 ILE 6 HG22 ILE 6 58.043 11.678 -2.624 49 HG23 ILE 6 HG23 ILE 6 59.562 10.815 -2.945 50 HD11 ILE 6 HD1 ILE 6 59.329 6.857 -1.853 51 HD12 ILE 6 HD2 ILE 6 58.220 8.060 -1.162 52 HD13 ILE 6 HD3 ILE 6 59.905 8.503 -1.517 53 H LYS 7 HN LYS 7 56.728 11.588 -3.809 54 HA LYS 7 HA LYS 7 55.246 13.290 -4.395 55 HB2 LYS 7 HB2 LYS 7 53.170 11.067 -4.748 56 HB3 LYS 7 HB1 LYS 7 53.115 12.697 -5.459 57 HG2 LYS 7 HG2 LYS 7 55.170 12.197 -6.763 58 HG3 LYS 7 HG1 LYS 7 55.221 10.572 -6.050 59 HD2 LYS 7 HD2 LYS 7 54.154 10.189 -8.124 60 HD3 LYS 7 HD1 LYS 7 52.787 10.309 -6.993 61 HE2 LYS 7 HE2 LYS 7 52.345 12.602 -7.667 62 HE3 LYS 7 HE1 LYS 7 53.844 12.665 -8.625 63 HZ1 LYS 7 HZ1 LYS 7 52.661 10.531 -9.686 64 HZ2 LYS 7 HZ2 LYS 7 52.441 12.109 -10.276 65 HZ3 LYS 7 HZ3 LYS 7 51.285 11.418 -9.239 66 H GLY 8 HN GLY 8 55.793 12.036 -2.061 67 HA2 GLY 8 HA1 GLY 8 55.273 11.573 0.050 68 HA3 GLY 8 HA2 GLY 8 54.762 13.305 0.060 69 H ALA 9 HN ALA 9 53.733 9.970 -0.434 70 HA ALA 9 HA ALA 9 51.741 8.896 -0.056 71 HB1 ALA 9 HB1 ALA 9 50.795 11.354 1.449 72 HB2 ALA 9 HB2 ALA 9 51.953 10.196 2.146 73 HB3 ALA 9 HB3 ALA 9 50.320 9.658 1.688 74 H ILE 10 HN ILE 10 51.607 9.323 -2.421 75 HA ILE 10 HA ILE 10 50.314 9.804 -4.260 76 HB ILE 10 HB ILE 10 48.298 10.153 -2.032 77 HG12 ILE 10 HG12 ILE 10 48.141 8.667 -4.690 78 HG13 ILE 10 HG11 ILE 10 48.884 7.982 -3.229 79 HG21 ILE 10 HG21 ILE 10 47.592 12.068 -3.247 80 HG22 ILE 10 HG22 ILE 10 46.547 10.760 -3.838 81 HG23 ILE 10 HG23 ILE 10 47.928 11.302 -4.819 82 HD11 ILE 10 HD1 ILE 10 46.502 8.700 -2.143 83 HD12 ILE 10 HD2 ILE 10 46.724 7.144 -2.972 84 HD13 ILE 10 HD3 ILE 10 45.972 8.504 -3.831 85 H HIS 11 HN HIS 11 49.357 12.426 -1.988 86 HA HIS 11 HA HIS 11 50.998 14.370 -3.452 87 HB2 HIS 11 HB2 HIS 11 47.958 14.389 -3.649 88 HB3 HIS 11 HB1 HIS 11 48.966 15.825 -3.956 89 HD1 HIS 11 HD1 HIS 11 47.374 13.179 -5.741 90 HD2 HIS 11 HD2 HIS 11 51.205 14.903 -5.947 91 HE1 HIS 11 HE1 HIS 11 48.330 12.639 -8.048 92 H GLY 12 HN GLY 12 49.817 13.063 -0.784 93 HA2 GLY 12 HA1 GLY 12 50.629 14.318 1.282 94 HA3 GLY 12 HA2 GLY 12 49.617 15.668 0.732 95 H GLY 13 HN GLY 13 48.229 12.684 -0.064 96 HA2 GLY 13 HA1 GLY 13 46.514 11.443 0.887 97 HA3 GLY 13 HA2 GLY 13 46.980 12.081 2.477 98 H ARG 14 HN ARG 14 45.892 13.726 -0.504 99 HA ARG 14 HA ARG 14 43.378 14.536 0.907 100 HB2 ARG 14 HB2 ARG 14 43.692 16.856 0.518 101 HB3 ARG 14 HB1 ARG 14 45.243 16.296 1.167 102 HG2 ARG 14 HG2 ARG 14 45.926 17.597 -0.670 103 HG3 ARG 14 HG1 ARG 14 45.928 15.955 -1.346 104 HD2 ARG 14 HD2 ARG 14 44.450 16.635 -2.957 105 HD3 ARG 14 HD1 ARG 14 43.259 17.083 -1.718 106 HE ARG 14 HE ARG 14 43.894 19.333 -2.022 107 HH11 ARG 14 HH11 ARG 14 44.843 20.836 -3.470 108 HH12 ARG 14 HH12 ARG 14 46.414 20.487 -4.111 109 HH21 ARG 14 HH21 ARG 14 46.544 17.294 -2.764 110 HH22 ARG 14 HH22 ARG 14 47.377 18.481 -3.711 111 H PHE 15 HN PHE 15 45.316 14.271 -2.060 112 HA PHE 15 HA PHE 15 43.164 14.895 -3.872 113 HB2 PHE 15 HB2 PHE 15 45.653 14.784 -4.421 114 HB3 PHE 15 HB1 PHE 15 45.498 13.012 -4.394 115 HD1 PHE 15 HD1 PHE 15 44.947 11.919 -6.422 116 HD2 PHE 15 HD2 PHE 15 43.800 16.045 -5.867 117 HE1 PHE 15 HE1 PHE 15 44.065 11.988 -8.749 118 HE2 PHE 15 HE2 PHE 15 42.918 16.111 -8.195 119 HZ PHE 15 HZ PHE 15 43.020 14.073 -9.625 120 H ILE 16 HN ILE 16 41.275 13.872 -3.430 121 HA ILE 16 HA ILE 16 39.834 12.092 -2.959 122 HB ILE 16 HB ILE 16 39.800 10.380 -4.812 123 HG12 ILE 16 HG12 ILE 16 42.171 11.966 -5.912 124 HG13 ILE 16 HG11 ILE 16 42.322 10.369 -5.149 125 HG21 ILE 16 HG21 ILE 16 40.172 13.225 -5.836 126 HG22 ILE 16 HG22 ILE 16 38.733 12.688 -4.938 127 HG23 ILE 16 HG23 ILE 16 39.123 11.957 -6.510 128 HD11 ILE 16 HD1 ILE 16 40.930 11.104 -7.744 129 HD12 ILE 16 HD2 ILE 16 40.540 9.593 -6.888 130 HD13 ILE 16 HD3 ILE 16 42.195 9.888 -7.464 131 H HIS 17 HN HIS 17 41.696 11.884 -1.090 132 HA HIS 17 HA HIS 17 42.107 8.917 -0.895 133 HB2 HIS 17 HB2 HIS 17 44.245 9.951 -1.681 134 HB3 HIS 17 HB1 HIS 17 44.251 10.970 -0.222 135 HD1 HIS 17 HD1 HIS 17 44.826 7.458 -1.438 136 HD2 HIS 17 HD2 HIS 17 44.740 9.538 2.219 137 HE1 HIS 17 HE1 HIS 17 45.805 5.908 0.344 138 H GLY 18 HN GLY 18 41.669 12.093 0.580 139 HA2 GLY 18 HA1 GLY 18 41.991 11.520 3.308 140 HA3 GLY 18 HA2 GLY 18 40.747 12.616 2.646 141 H MET 19 HN MET 19 39.242 11.093 1.216 142 HA MET 19 HA MET 19 38.304 8.696 2.320 143 HB2 MET 19 HB2 MET 19 37.750 10.420 4.218 144 HB3 MET 19 HB1 MET 19 36.473 10.938 3.100 145 HG2 MET 19 HG2 MET 19 35.426 9.316 4.489 146 HG3 MET 19 HG1 MET 19 35.810 8.423 3.000 147 HE1 MET 19 HE1 MET 19 35.961 8.544 6.704 148 HE2 MET 19 HE2 MET 19 37.386 9.570 6.407 149 HE3 MET 19 HE3 MET 19 37.579 7.983 7.191 150 H ILE 20 HN ILE 20 38.878 10.598 0.055 151 HA ILE 20 HA ILE 20 37.959 10.950 -2.037 152 HB ILE 20 HB ILE 20 35.682 9.023 -1.380 153 HG12 ILE 20 HG12 ILE 20 37.545 7.692 -0.744 154 HG13 ILE 20 HG11 ILE 20 37.242 7.231 -2.429 155 HG21 ILE 20 HG21 ILE 20 35.401 10.170 -3.459 156 HG22 ILE 20 HG22 ILE 20 35.952 8.531 -3.863 157 HG23 ILE 20 HG23 ILE 20 37.088 9.895 -3.937 158 HD11 ILE 20 HD1 ILE 20 39.589 7.523 -2.352 159 HD12 ILE 20 HD2 ILE 20 39.479 8.950 -1.300 160 HD13 ILE 20 HD3 ILE 20 39.023 9.070 -3.009 161 H GLN 21 HN GLN 21 36.728 11.316 1.019 162 HA GLN 21 HA GLN 21 34.754 13.419 0.040 163 HB2 GLN 21 HB2 GLN 21 33.374 11.537 0.631 164 HB3 GLN 21 HB1 GLN 21 34.281 11.264 2.134 165 HG2 GLN 21 HG2 GLN 21 32.033 12.424 2.423 166 HG3 GLN 21 HG1 GLN 21 33.414 13.291 3.124 167 HE21 GLN 21 HE21 GLN 21 32.341 13.080 -0.337 168 HE22 GLN 21 HE22 GLN 21 32.113 14.823 -0.516 169 H ASN 22 HN ASN 22 37.430 12.550 2.084 170 HA ASN 22 HA ASN 22 36.857 14.903 3.888 171 HB2 ASN 22 HB2 ASN 22 37.349 12.712 4.974 172 HB3 ASN 22 HB1 ASN 22 38.931 12.697 4.164 173 HD21 ASN 22 HD21 ASN 22 36.927 14.985 6.168 174 HD22 ASN 22 HD22 ASN 22 38.304 15.572 7.106 175 H HIS 23 HN HIS 23 39.109 13.503 1.543 176 HA HIS 23 HA HIS 23 41.046 14.380 0.609 177 HB2 HIS 23 HB2 HIS 23 39.286 16.857 0.698 178 HB3 HIS 23 HB1 HIS 23 40.753 16.687 -0.294 179 HD1 HIS 23 HD1 HIS 23 38.801 17.097 -2.244 180 HD2 HIS 23 HD2 HIS 23 38.869 13.370 -0.295 181 HE1 HIS 23 HE1 HIS 23 37.510 15.448 -3.708 182 H HIS 24 HN HIS 24 41.507 14.126 3.276 183 HA HIS 24 HA HIS 24 42.150 16.415 4.766 184 HB2 HIS 24 HB2 HIS 24 42.287 13.998 5.516 185 HB3 HIS 24 HB1 HIS 24 43.838 13.885 4.650 186 HD1 HIS 24 HD1 HIS 24 45.885 15.138 5.622 187 HD2 HIS 24 HD2 HIS 24 42.350 15.728 7.820 188 HE1 HIS 24 HE1 HIS 24 46.540 16.215 7.845 Start of MODEL 35 1 H1 PHE 1 HT1 PHE 1 60.086 5.663 7.744 2 H2 PHE 1 HT2 PHE 1 59.195 7.072 8.076 3 H3 PHE 1 HT3 PHE 1 60.835 6.973 8.516 4 HA PHE 1 HA PHE 1 60.155 8.274 6.438 5 HB2 PHE 1 HB2 PHE 1 62.307 7.622 5.379 6 HB3 PHE 1 HB1 PHE 1 62.471 7.880 7.132 7 HD1 PHE 1 HD1 PHE 1 62.479 5.883 8.691 8 HD2 PHE 1 HD2 PHE 1 62.736 5.466 4.400 9 HE1 PHE 1 HE1 PHE 1 63.330 3.557 8.966 10 HE2 PHE 1 HE2 PHE 1 63.587 3.142 4.678 11 HZ PHE 1 HZ PHE 1 63.894 2.191 6.960 12 H LEU 2 HN LEU 2 59.213 8.137 4.499 13 HA LEU 2 HA LEU 2 57.909 5.717 3.681 14 HB2 LEU 2 HB2 LEU 2 58.601 8.043 1.852 15 HB3 LEU 2 HB1 LEU 2 57.212 6.935 1.750 16 HG LEU 2 HG LEU 2 57.729 9.008 3.927 17 HD11 LEU 2 HD11 LEU 2 55.644 10.019 3.028 18 HD12 LEU 2 HD12 LEU 2 55.585 8.759 1.771 19 HD13 LEU 2 HD13 LEU 2 56.919 9.937 1.790 20 HD21 LEU 2 HD21 LEU 2 55.332 8.266 4.606 21 HD22 LEU 2 HD22 LEU 2 56.669 7.179 5.039 22 HD23 LEU 2 HD23 LEU 2 55.641 6.809 3.632 23 H GLY 3 HN GLY 3 58.262 5.288 1.063 24 HA2 GLY 3 HA1 GLY 3 60.884 5.172 0.049 25 HA3 GLY 3 HA2 GLY 3 60.661 3.702 1.016 26 H ALA 4 HN ALA 4 57.866 5.122 -0.473 27 HA ALA 4 HA ALA 4 58.064 3.674 -2.984 28 HB1 ALA 4 HB1 ALA 4 56.244 2.541 -0.831 29 HB2 ALA 4 HB2 ALA 4 57.696 1.755 -1.498 30 HB3 ALA 4 HB3 ALA 4 56.277 2.035 -2.536 31 H LEU 5 HN LEU 5 55.464 4.447 -0.618 32 HA LEU 5 HA LEU 5 53.840 5.661 -2.735 33 HB2 LEU 5 HB2 LEU 5 53.353 5.898 0.252 34 HB3 LEU 5 HB1 LEU 5 52.166 5.893 -1.074 35 HG LEU 5 HG LEU 5 53.883 3.542 -0.162 36 HD11 LEU 5 HD11 LEU 5 50.871 4.035 -0.101 37 HD12 LEU 5 HD12 LEU 5 51.958 4.087 1.308 38 HD13 LEU 5 HD13 LEU 5 51.696 2.554 0.441 39 HD21 LEU 5 HD21 LEU 5 53.657 3.321 -2.538 40 HD22 LEU 5 HD22 LEU 5 51.976 3.910 -2.512 41 HD23 LEU 5 HD23 LEU 5 52.370 2.303 -1.853 42 H ILE 6 HN ILE 6 56.229 6.980 -2.793 43 HA ILE 6 HA ILE 6 56.096 9.415 -1.107 44 HB ILE 6 HB ILE 6 58.005 10.185 -2.506 45 HG12 ILE 6 HG12 ILE 6 57.486 7.636 -4.114 46 HG13 ILE 6 HG11 ILE 6 57.236 9.297 -4.695 47 HG21 ILE 6 HG21 ILE 6 59.593 8.541 -1.796 48 HG22 ILE 6 HG22 ILE 6 58.396 7.227 -1.908 49 HG23 ILE 6 HG23 ILE 6 58.258 8.453 -0.625 50 HD11 ILE 6 HD1 ILE 6 59.368 8.716 -5.551 51 HD12 ILE 6 HD2 ILE 6 59.848 7.892 -4.050 52 HD13 ILE 6 HD3 ILE 6 59.748 9.670 -4.098 53 H LYS 7 HN LYS 7 56.916 11.170 -3.454 54 HA LYS 7 HA LYS 7 55.692 12.861 -4.492 55 HB2 LYS 7 HB2 LYS 7 54.996 10.876 -6.044 56 HB3 LYS 7 HB1 LYS 7 53.514 10.794 -5.064 57 HG2 LYS 7 HG2 LYS 7 52.902 13.059 -5.666 58 HG3 LYS 7 HG1 LYS 7 54.476 13.333 -6.452 59 HD2 LYS 7 HD2 LYS 7 53.948 11.534 -8.095 60 HD3 LYS 7 HD1 LYS 7 52.351 11.330 -7.336 61 HE2 LYS 7 HE2 LYS 7 51.730 13.619 -7.899 62 HE3 LYS 7 HE1 LYS 7 53.367 13.954 -8.510 63 HZ1 LYS 7 HZ1 LYS 7 52.919 12.949 -10.437 64 HZ2 LYS 7 HZ2 LYS 7 51.281 13.073 -10.002 65 HZ3 LYS 7 HZ3 LYS 7 52.137 11.636 -9.702 66 H GLY 8 HN GLY 8 55.704 11.797 -2.004 67 HA2 GLY 8 HA1 GLY 8 54.784 11.560 -0.006 68 HA3 GLY 8 HA2 GLY 8 54.359 13.298 -0.243 69 H ALA 9 HN ALA 9 53.300 9.988 -0.210 70 HA ALA 9 HA ALA 9 51.221 9.025 -0.058 71 HB1 ALA 9 HB1 ALA 9 50.167 11.780 0.642 72 HB2 ALA 9 HB2 ALA 9 51.058 10.756 1.794 73 HB3 ALA 9 HB3 ALA 9 49.507 10.198 1.120 74 H ILE 10 HN ILE 10 51.993 9.631 -2.606 75 HA ILE 10 HA ILE 10 51.070 9.645 -4.712 76 HB ILE 10 HB ILE 10 48.798 8.998 -3.096 77 HG12 ILE 10 HG12 ILE 10 47.813 8.287 -5.397 78 HG13 ILE 10 HG11 ILE 10 49.324 8.914 -6.094 79 HG21 ILE 10 HG21 ILE 10 46.901 10.104 -4.136 80 HG22 ILE 10 HG22 ILE 10 47.972 11.056 -5.188 81 HG23 ILE 10 HG23 ILE 10 47.963 11.339 -3.432 82 HD11 ILE 10 HD1 ILE 10 49.765 6.609 -5.727 83 HD12 ILE 10 HD2 ILE 10 48.938 6.611 -4.151 84 HD13 ILE 10 HD3 ILE 10 50.519 7.405 -4.326 85 H HIS 11 HN HIS 11 49.852 12.151 -2.501 86 HA HIS 11 HA HIS 11 50.952 14.269 -4.109 87 HB2 HIS 11 HB2 HIS 11 49.030 13.694 -5.585 88 HB3 HIS 11 HB1 HIS 11 47.922 13.958 -4.218 89 HD1 HIS 11 HD1 HIS 11 46.748 16.107 -4.751 90 HD2 HIS 11 HD2 HIS 11 50.880 16.335 -5.487 91 HE1 HIS 11 HE1 HIS 11 47.285 18.536 -5.330 92 H GLY 12 HN GLY 12 49.529 12.892 -1.423 93 HA2 GLY 12 HA1 GLY 12 50.152 14.289 0.650 94 HA3 GLY 12 HA2 GLY 12 49.102 15.537 -0.054 95 H GLY 13 HN GLY 13 48.340 12.155 -0.491 96 HA2 GLY 13 HA1 GLY 13 46.537 10.911 0.251 97 HA3 GLY 13 HA2 GLY 13 46.786 11.686 1.828 98 H ARG 14 HN ARG 14 45.324 12.168 -1.396 99 HA ARG 14 HA ARG 14 42.856 13.110 -0.200 100 HB2 ARG 14 HB2 ARG 14 44.451 15.112 0.043 101 HB3 ARG 14 HB1 ARG 14 44.416 15.221 -1.728 102 HG2 ARG 14 HG2 ARG 14 42.719 16.726 -0.936 103 HG3 ARG 14 HG1 ARG 14 41.870 15.305 -1.577 104 HD2 ARG 14 HD2 ARG 14 41.202 14.580 0.552 105 HD3 ARG 14 HD1 ARG 14 42.572 15.365 1.372 106 HE ARG 14 HE ARG 14 40.982 17.422 0.249 107 HH11 ARG 14 HH11 ARG 14 38.835 17.867 1.103 108 HH12 ARG 14 HH12 ARG 14 38.531 17.383 2.738 109 HH21 ARG 14 HH21 ARG 14 41.436 15.505 3.000 110 HH22 ARG 14 HH22 ARG 14 40.004 16.045 3.812 111 H PHE 15 HN PHE 15 44.974 13.095 -3.070 112 HA PHE 15 HA PHE 15 42.964 13.367 -5.060 113 HB2 PHE 15 HB2 PHE 15 45.475 13.321 -5.433 114 HB3 PHE 15 HB1 PHE 15 45.400 11.552 -5.256 115 HD1 PHE 15 HD1 PHE 15 44.259 10.155 -6.929 116 HD2 PHE 15 HD2 PHE 15 44.476 14.443 -7.371 117 HE1 PHE 15 HE1 PHE 15 43.551 9.944 -9.308 118 HE2 PHE 15 HE2 PHE 15 43.768 14.233 -9.751 119 HZ PHE 15 HZ PHE 15 43.268 11.987 -10.707 120 H ILE 16 HN ILE 16 44.100 10.615 -3.199 121 HA ILE 16 HA ILE 16 41.577 9.226 -3.568 122 HB ILE 16 HB ILE 16 42.532 8.437 -5.640 123 HG12 ILE 16 HG12 ILE 16 42.618 6.044 -5.292 124 HG13 ILE 16 HG11 ILE 16 43.086 6.238 -3.594 125 HG21 ILE 16 HG21 ILE 16 44.738 7.610 -5.933 126 HG22 ILE 16 HG22 ILE 16 45.016 7.452 -4.186 127 HG23 ILE 16 HG23 ILE 16 44.935 9.062 -4.934 128 HD11 ILE 16 HD1 ILE 16 40.487 7.404 -4.650 129 HD12 ILE 16 HD2 ILE 16 40.938 7.032 -2.967 130 HD13 ILE 16 HD3 ILE 16 40.593 5.711 -4.109 131 H HIS 17 HN HIS 17 41.693 9.741 -1.372 132 HA HIS 17 HA HIS 17 42.770 7.591 0.251 133 HB2 HIS 17 HB2 HIS 17 44.863 8.889 -0.083 134 HB3 HIS 17 HB1 HIS 17 44.050 10.341 0.547 135 HD1 HIS 17 HD1 HIS 17 45.537 10.544 2.648 136 HD2 HIS 17 HD2 HIS 17 43.668 6.797 2.290 137 HE1 HIS 17 HE1 HIS 17 45.797 9.344 4.888 138 H GLY 18 HN GLY 18 41.848 11.077 0.275 139 HA2 GLY 18 HA1 GLY 18 40.483 10.929 2.812 140 HA3 GLY 18 HA2 GLY 18 40.204 12.146 1.536 141 H MET 19 HN MET 19 39.257 11.150 -0.482 142 HA MET 19 HA MET 19 37.750 8.993 -0.775 143 HB2 MET 19 HB2 MET 19 36.405 10.582 1.309 144 HB3 MET 19 HB1 MET 19 35.336 10.228 -0.061 145 HG2 MET 19 HG2 MET 19 35.513 7.889 0.253 146 HG3 MET 19 HG1 MET 19 36.988 8.032 1.236 147 HE1 MET 19 HE1 MET 19 34.078 6.597 3.527 148 HE2 MET 19 HE2 MET 19 35.568 6.224 2.628 149 HE3 MET 19 HE3 MET 19 34.044 6.496 1.750 150 H ILE 20 HN ILE 20 38.672 9.659 -2.704 151 HA ILE 20 HA ILE 20 38.472 10.592 -4.828 152 HB ILE 20 HB ILE 20 35.689 11.645 -4.132 153 HG12 ILE 20 HG12 ILE 20 35.462 9.407 -3.374 154 HG13 ILE 20 HG11 ILE 20 34.847 9.366 -5.036 155 HG21 ILE 20 HG21 ILE 20 36.452 12.343 -6.283 156 HG22 ILE 20 HG22 ILE 20 35.323 11.009 -6.588 157 HG23 ILE 20 HG23 ILE 20 37.074 10.733 -6.690 158 HD11 ILE 20 HD1 ILE 20 37.454 8.278 -3.939 159 HD12 ILE 20 HD2 ILE 20 37.321 8.692 -5.659 160 HD13 ILE 20 HD3 ILE 20 36.245 7.471 -4.955 161 H GLN 21 HN GLN 21 38.946 11.775 -2.109 162 HA GLN 21 HA GLN 21 40.038 13.800 -1.499 163 HB2 GLN 21 HB2 GLN 21 38.519 15.265 -3.713 164 HB3 GLN 21 HB1 GLN 21 39.816 15.901 -2.696 165 HG2 GLN 21 HG2 GLN 21 41.506 14.783 -3.848 166 HG3 GLN 21 HG1 GLN 21 40.456 13.440 -4.335 167 HE21 GLN 21 HE21 GLN 21 39.440 13.547 -6.381 168 HE22 GLN 21 HE22 GLN 21 39.576 14.949 -7.448 169 H ASN 22 HN ASN 22 37.793 12.378 -0.807 170 HA ASN 22 HA ASN 22 35.777 12.501 0.286 171 HB2 ASN 22 HB2 ASN 22 37.281 13.111 2.026 172 HB3 ASN 22 HB1 ASN 22 37.290 14.822 1.499 173 HD21 ASN 22 HD21 ASN 22 36.163 15.959 3.110 174 HD22 ASN 22 HD22 ASN 22 34.576 15.483 3.722 175 H HIS 23 HN HIS 23 35.173 13.095 -2.026 176 HA HIS 23 HA HIS 23 33.683 14.283 -3.366 177 HB2 HIS 23 HB2 HIS 23 32.618 15.466 -0.776 178 HB3 HIS 23 HB1 HIS 23 31.742 15.222 -2.306 179 HD1 HIS 23 HD1 HIS 23 33.585 12.289 -2.301 180 HD2 HIS 23 HD2 HIS 23 30.502 13.613 0.232 181 HE1 HIS 23 HE1 HIS 23 32.527 10.218 -1.245 182 H HIS 24 HN HIS 24 32.688 16.621 -3.713 183 HA HIS 24 HA HIS 24 33.261 18.772 -4.374 184 HB2 HIS 24 HB2 HIS 24 34.548 18.750 -1.615 185 HB3 HIS 24 HB1 HIS 24 34.242 20.208 -2.589 186 HD1 HIS 24 HD1 HIS 24 31.558 20.337 -3.464 187 HD2 HIS 24 HD2 HIS 24 32.409 18.126 0.011 188 HE1 HIS 24 HE1 HIS 24 29.378 20.114 -2.149 Start of MODEL 36 1 H1 PHE 1 HT1 PHE 1 61.402 6.903 -10.151 2 H2 PHE 1 HT2 PHE 1 60.619 6.407 -8.726 3 H3 PHE 1 HT3 PHE 1 59.717 7.034 -10.023 4 HA PHE 1 HA PHE 1 59.935 5.185 -11.295 5 HB2 PHE 1 HB2 PHE 1 62.432 5.123 -11.017 6 HB3 PHE 1 HB1 PHE 1 62.195 4.277 -9.469 7 HD1 PHE 1 HD1 PHE 1 61.286 4.091 -13.119 8 HD2 PHE 1 HD2 PHE 1 61.934 1.915 -9.445 9 HE1 PHE 1 HE1 PHE 1 61.042 1.939 -14.349 10 HE2 PHE 1 HE2 PHE 1 61.692 -0.236 -10.679 11 HZ PHE 1 HZ PHE 1 61.226 -0.225 -13.126 12 H LEU 2 HN LEU 2 58.717 5.947 -8.586 13 HA LEU 2 HA LEU 2 57.289 3.451 -8.229 14 HB2 LEU 2 HB2 LEU 2 59.620 3.263 -6.955 15 HB3 LEU 2 HB1 LEU 2 58.809 4.258 -5.731 16 HG LEU 2 HG LEU 2 57.756 1.606 -6.829 17 HD11 LEU 2 HD11 LEU 2 58.379 0.694 -4.638 18 HD12 LEU 2 HD12 LEU 2 58.977 2.287 -4.118 19 HD13 LEU 2 HD13 LEU 2 59.813 1.404 -5.417 20 HD21 LEU 2 HD21 LEU 2 56.241 1.856 -4.755 21 HD22 LEU 2 HD22 LEU 2 55.882 2.930 -6.126 22 HD23 LEU 2 HD23 LEU 2 56.761 3.558 -4.710 23 H GLY 3 HN GLY 3 55.795 5.210 -8.856 24 HA2 GLY 3 HA1 GLY 3 55.252 7.336 -6.953 25 HA3 GLY 3 HA2 GLY 3 54.258 6.874 -8.348 26 H ALA 4 HN ALA 4 54.915 6.370 -4.936 27 HA ALA 4 HA ALA 4 52.148 5.584 -4.483 28 HB1 ALA 4 HB1 ALA 4 54.341 3.501 -4.269 29 HB2 ALA 4 HB2 ALA 4 52.846 3.421 -5.231 30 HB3 ALA 4 HB3 ALA 4 52.767 3.351 -3.453 31 H LEU 5 HN LEU 5 55.309 4.835 -2.932 32 HA LEU 5 HA LEU 5 54.332 5.691 -0.335 33 HB2 LEU 5 HB2 LEU 5 57.060 4.961 -1.447 34 HB3 LEU 5 HB1 LEU 5 56.870 5.538 0.219 35 HG LEU 5 HG LEU 5 56.876 2.993 -0.119 36 HD11 LEU 5 HD11 LEU 5 55.863 4.290 1.891 37 HD12 LEU 5 HD12 LEU 5 55.352 2.607 1.652 38 HD13 LEU 5 HD13 LEU 5 54.281 3.934 1.162 39 HD21 LEU 5 HD21 LEU 5 54.897 1.914 -0.972 40 HD22 LEU 5 HD22 LEU 5 55.410 3.105 -2.189 41 HD23 LEU 5 HD23 LEU 5 54.033 3.462 -1.119 42 H ILE 6 HN ILE 6 56.237 7.156 -2.939 43 HA ILE 6 HA ILE 6 56.469 9.708 -1.314 44 HB ILE 6 HB ILE 6 58.087 10.406 -3.065 45 HG12 ILE 6 HG12 ILE 6 57.463 7.683 -4.307 46 HG13 ILE 6 HG11 ILE 6 57.081 9.270 -5.013 47 HG21 ILE 6 HG21 ILE 6 59.875 8.936 -2.456 48 HG22 ILE 6 HG22 ILE 6 58.769 7.556 -2.242 49 HG23 ILE 6 HG23 ILE 6 58.745 8.908 -1.083 50 HD11 ILE 6 HD1 ILE 6 59.086 8.630 -6.105 51 HD12 ILE 6 HD2 ILE 6 59.800 7.982 -4.612 52 HD13 ILE 6 HD3 ILE 6 59.640 9.743 -4.831 53 H LYS 7 HN LYS 7 56.798 11.234 -3.905 54 HA LYS 7 HA LYS 7 55.316 12.738 -4.895 55 HB2 LYS 7 HB2 LYS 7 53.724 10.146 -5.171 56 HB3 LYS 7 HB1 LYS 7 53.028 11.706 -5.670 57 HG2 LYS 7 HG2 LYS 7 55.012 12.074 -7.156 58 HG3 LYS 7 HG1 LYS 7 55.607 10.456 -6.715 59 HD2 LYS 7 HD2 LYS 7 53.633 9.402 -7.668 60 HD3 LYS 7 HD1 LYS 7 52.873 10.987 -7.954 61 HE2 LYS 7 HE2 LYS 7 55.529 10.157 -9.193 62 HE3 LYS 7 HE1 LYS 7 53.959 9.939 -10.003 63 HZ1 LYS 7 HZ1 LYS 7 55.202 12.053 -10.524 64 HZ2 LYS 7 HZ2 LYS 7 54.861 12.561 -8.939 65 HZ3 LYS 7 HZ3 LYS 7 53.593 12.249 -10.025 66 H GLY 8 HN GLY 8 55.721 11.922 -2.347 67 HA2 GLY 8 HA1 GLY 8 55.059 11.801 -0.236 68 HA3 GLY 8 HA2 GLY 8 54.462 13.473 -0.563 69 H ALA 9 HN ALA 9 53.646 10.041 -0.511 70 HA ALA 9 HA ALA 9 51.670 8.928 -0.143 71 HB1 ALA 9 HB1 ALA 9 50.642 11.533 1.027 72 HB2 ALA 9 HB2 ALA 9 51.727 10.427 1.901 73 HB3 ALA 9 HB3 ALA 9 50.107 9.879 1.406 74 H ILE 10 HN ILE 10 51.684 9.194 -2.599 75 HA ILE 10 HA ILE 10 50.450 9.421 -4.514 76 HB ILE 10 HB ILE 10 48.341 9.525 -2.384 77 HG12 ILE 10 HG12 ILE 10 49.218 7.497 -3.748 78 HG13 ILE 10 HG11 ILE 10 47.465 7.644 -3.504 79 HG21 ILE 10 HG21 ILE 10 47.396 11.384 -3.507 80 HG22 ILE 10 HG22 ILE 10 46.521 9.979 -4.147 81 HG23 ILE 10 HG23 ILE 10 47.804 10.740 -5.115 82 HD11 ILE 10 HD1 ILE 10 48.788 8.789 -5.993 83 HD12 ILE 10 HD2 ILE 10 47.089 8.338 -5.743 84 HD13 ILE 10 HD3 ILE 10 48.330 7.076 -5.901 85 H HIS 11 HN HIS 11 49.081 12.045 -2.449 86 HA HIS 11 HA HIS 11 50.426 14.055 -4.179 87 HB2 HIS 11 HB2 HIS 11 48.246 13.593 -5.295 88 HB3 HIS 11 HB1 HIS 11 47.405 13.992 -3.777 89 HD1 HIS 11 HD1 HIS 11 47.269 16.467 -3.061 90 HD2 HIS 11 HD2 HIS 11 49.358 15.842 -6.656 91 HE1 HIS 11 HE1 HIS 11 47.653 18.757 -4.126 92 H GLY 12 HN GLY 12 49.570 12.845 -1.248 93 HA2 GLY 12 HA1 GLY 12 50.606 14.308 0.596 94 HA3 GLY 12 HA2 GLY 12 49.454 15.553 0.074 95 H GLY 13 HN GLY 13 48.277 12.350 -0.226 96 HA2 GLY 13 HA1 GLY 13 46.669 11.188 0.964 97 HA3 GLY 13 HA2 GLY 13 47.381 11.870 2.440 98 H ARG 14 HN ARG 14 45.273 12.735 -0.322 99 HA ARG 14 HA ARG 14 43.184 13.685 1.435 100 HB2 ARG 14 HB2 ARG 14 44.813 15.551 1.707 101 HB3 ARG 14 HB1 ARG 14 44.775 15.821 -0.048 102 HG2 ARG 14 HG2 ARG 14 42.093 15.768 1.346 103 HG3 ARG 14 HG1 ARG 14 43.138 17.153 1.717 104 HD2 ARG 14 HD2 ARG 14 42.790 16.400 -1.190 105 HD3 ARG 14 HD1 ARG 14 41.453 17.227 -0.359 106 HE ARG 14 HE ARG 14 42.756 19.186 -0.397 107 HH11 ARG 14 HH11 ARG 14 45.033 18.248 1.226 108 HH12 ARG 14 HH12 ARG 14 46.358 18.315 0.112 109 HH21 ARG 14 HH21 ARG 14 44.333 18.475 -2.699 110 HH22 ARG 14 HH22 ARG 14 45.962 18.445 -2.110 111 H PHE 15 HN PHE 15 44.739 13.856 -1.754 112 HA PHE 15 HA PHE 15 42.503 14.534 -3.338 113 HB2 PHE 15 HB2 PHE 15 44.874 14.314 -4.132 114 HB3 PHE 15 HB1 PHE 15 44.702 12.546 -4.042 115 HD1 PHE 15 HD1 PHE 15 44.057 11.428 -6.022 116 HD2 PHE 15 HD2 PHE 15 42.863 15.540 -5.443 117 HE1 PHE 15 HE1 PHE 15 43.003 11.441 -8.277 118 HE2 PHE 15 HE2 PHE 15 41.810 15.547 -7.700 119 HZ PHE 15 HZ PHE 15 41.839 13.485 -9.097 120 H ILE 16 HN ILE 16 43.563 11.433 -2.021 121 HA ILE 16 HA ILE 16 40.816 10.349 -2.387 122 HB ILE 16 HB ILE 16 41.864 8.126 -3.145 123 HG12 ILE 16 HG12 ILE 16 44.160 10.004 -3.887 124 HG13 ILE 16 HG11 ILE 16 44.215 8.802 -2.576 125 HG21 ILE 16 HG21 ILE 16 41.800 8.754 -5.502 126 HG22 ILE 16 HG22 ILE 16 42.112 10.457 -5.095 127 HG23 ILE 16 HG23 ILE 16 40.571 9.701 -4.634 128 HD11 ILE 16 HD1 ILE 16 43.536 7.084 -4.458 129 HD12 ILE 16 HD2 ILE 16 45.221 7.648 -4.373 130 HD13 ILE 16 HD3 ILE 16 44.112 8.347 -5.574 131 H HIS 17 HN HIS 17 41.563 11.277 -0.130 132 HA HIS 17 HA HIS 17 42.055 8.870 1.541 133 HB2 HIS 17 HB2 HIS 17 44.303 10.012 1.134 134 HB3 HIS 17 HB1 HIS 17 43.641 11.434 1.973 135 HD1 HIS 17 HD1 HIS 17 42.266 8.325 3.350 136 HD2 HIS 17 HD2 HIS 17 45.681 10.689 4.012 137 HE1 HIS 17 HE1 HIS 17 43.261 7.614 5.592 138 H GLY 18 HN GLY 18 40.882 12.078 0.888 139 HA2 GLY 18 HA1 GLY 18 39.979 12.932 3.428 140 HA3 GLY 18 HA2 GLY 18 39.122 13.226 1.884 141 H MET 19 HN MET 19 38.385 11.049 0.961 142 HA MET 19 HA MET 19 37.308 9.082 2.591 143 HB2 MET 19 HB2 MET 19 35.918 11.140 3.396 144 HB3 MET 19 HB1 MET 19 35.115 10.975 1.823 145 HG2 MET 19 HG2 MET 19 34.352 8.740 2.368 146 HG3 MET 19 HG1 MET 19 35.365 8.687 3.830 147 HE1 MET 19 HE1 MET 19 32.086 8.794 5.656 148 HE2 MET 19 HE2 MET 19 33.819 8.433 5.842 149 HE3 MET 19 HE3 MET 19 32.912 7.756 4.469 150 H ILE 20 HN ILE 20 38.496 10.058 0.008 151 HA ILE 20 HA ILE 20 38.309 9.470 -2.220 152 HB ILE 20 HB ILE 20 36.545 7.246 -1.061 153 HG12 ILE 20 HG12 ILE 20 38.420 5.820 -1.725 154 HG13 ILE 20 HG11 ILE 20 39.243 7.203 -2.483 155 HG21 ILE 20 HG21 ILE 20 35.585 7.565 -3.214 156 HG22 ILE 20 HG22 ILE 20 36.787 6.277 -3.457 157 HG23 ILE 20 HG23 ILE 20 37.158 7.947 -3.953 158 HD11 ILE 20 HD1 ILE 20 39.985 6.500 -0.080 159 HD12 ILE 20 HD2 ILE 20 38.473 7.268 0.458 160 HD13 ILE 20 HD3 ILE 20 39.708 8.228 -0.396 161 H GLN 21 HN GLN 21 36.063 10.602 -0.087 162 HA GLN 21 HA GLN 21 34.314 11.655 -2.333 163 HB2 GLN 21 HB2 GLN 21 33.153 9.750 -1.240 164 HB3 GLN 21 HB1 GLN 21 33.312 10.572 0.331 165 HG2 GLN 21 HG2 GLN 21 31.896 12.380 -0.355 166 HG3 GLN 21 HG1 GLN 21 31.968 11.887 -2.065 167 HE21 GLN 21 HE21 GLN 21 31.196 9.414 -2.359 168 HE22 GLN 21 HE22 GLN 21 29.708 9.023 -1.490 169 H ASN 22 HN ASN 22 36.187 12.217 0.572 170 HA ASN 22 HA ASN 22 34.804 14.871 0.957 171 HB2 ASN 22 HB2 ASN 22 35.194 13.352 2.954 172 HB3 ASN 22 HB1 ASN 22 36.937 13.590 2.700 173 HD21 ASN 22 HD21 ASN 22 37.762 15.890 2.786 174 HD22 ASN 22 HD22 ASN 22 36.883 17.051 3.787 175 H HIS 23 HN HIS 23 37.643 13.229 -0.191 176 HA HIS 23 HA HIS 23 39.762 14.931 -0.077 177 HB2 HIS 23 HB2 HIS 23 40.320 14.347 -2.421 178 HB3 HIS 23 HB1 HIS 23 39.728 12.935 -1.510 179 HD1 HIS 23 HD1 HIS 23 39.255 14.696 -4.638 180 HD2 HIS 23 HD2 HIS 23 36.751 12.592 -1.999 181 HE1 HIS 23 HE1 HIS 23 37.127 14.103 -5.921 182 H HIS 24 HN HIS 24 39.433 17.110 0.242 183 HA HIS 24 HA HIS 24 39.034 19.318 -0.346 184 HB2 HIS 24 HB2 HIS 24 40.661 18.692 -2.150 185 HB3 HIS 24 HB1 HIS 24 39.282 18.297 -3.202 186 HD1 HIS 24 HD1 HIS 24 40.861 21.230 -1.329 187 HD2 HIS 24 HD2 HIS 24 38.113 20.511 -4.430 188 HE1 HIS 24 HE1 HIS 24 40.251 23.492 -2.347 Start of MODEL 37 1 H1 PHE 1 HT1 PHE 1 62.678 8.492 0.784 2 H2 PHE 1 HT2 PHE 1 63.444 7.173 1.532 3 H3 PHE 1 HT3 PHE 1 61.770 7.135 1.238 4 HA PHE 1 HA PHE 1 62.507 7.501 -1.203 5 HB2 PHE 1 HB2 PHE 1 64.904 6.254 0.193 6 HB3 PHE 1 HB1 PHE 1 64.616 6.108 -1.558 7 HD1 PHE 1 HD1 PHE 1 65.173 7.899 -3.039 8 HD2 PHE 1 HD2 PHE 1 65.053 8.597 1.220 9 HE1 PHE 1 HE1 PHE 1 66.169 10.157 -3.379 10 HE2 PHE 1 HE2 PHE 1 66.047 10.855 0.877 11 HZ PHE 1 HZ PHE 1 66.620 11.629 -1.421 12 H LEU 2 HN LEU 2 60.561 6.237 0.276 13 HA LEU 2 HA LEU 2 60.798 3.422 0.512 14 HB2 LEU 2 HB2 LEU 2 58.886 4.998 1.268 15 HB3 LEU 2 HB1 LEU 2 58.269 4.842 -0.390 16 HG LEU 2 HG LEU 2 58.550 2.220 0.067 17 HD11 LEU 2 HD11 LEU 2 58.283 3.384 2.880 18 HD12 LEU 2 HD12 LEU 2 59.640 2.412 2.265 19 HD13 LEU 2 HD13 LEU 2 58.034 1.675 2.457 20 HD21 LEU 2 HD21 LEU 2 56.217 2.186 1.015 21 HD22 LEU 2 HD22 LEU 2 56.394 3.264 -0.390 22 HD23 LEU 2 HD23 LEU 2 56.332 3.947 1.253 23 H GLY 3 HN GLY 3 60.633 5.457 -2.280 24 HA2 GLY 3 HA1 GLY 3 61.003 4.839 -4.501 25 HA3 GLY 3 HA2 GLY 3 60.965 3.128 -4.031 26 H ALA 4 HN ALA 4 58.283 4.591 -2.697 27 HA ALA 4 HA ALA 4 56.571 4.717 -5.033 28 HB1 ALA 4 HB1 ALA 4 55.345 2.696 -4.824 29 HB2 ALA 4 HB2 ALA 4 56.115 2.295 -3.269 30 HB3 ALA 4 HB3 ALA 4 57.058 2.219 -4.776 31 H LEU 5 HN LEU 5 54.289 5.020 -4.463 32 HA LEU 5 HA LEU 5 52.713 6.176 -3.219 33 HB2 LEU 5 HB2 LEU 5 53.996 4.385 -1.137 34 HB3 LEU 5 HB1 LEU 5 52.679 5.488 -0.694 35 HG LEU 5 HG LEU 5 51.978 3.111 -1.289 36 HD11 LEU 5 HD11 LEU 5 50.514 5.284 -1.501 37 HD12 LEU 5 HD12 LEU 5 49.944 3.787 -2.266 38 HD13 LEU 5 HD13 LEU 5 50.701 5.050 -3.254 39 HD21 LEU 5 HD21 LEU 5 52.571 3.982 -4.151 40 HD22 LEU 5 HD22 LEU 5 51.989 2.397 -3.593 41 HD23 LEU 5 HD23 LEU 5 53.640 2.928 -3.197 42 H ILE 6 HN ILE 6 55.716 7.095 -3.349 43 HA ILE 6 HA ILE 6 55.869 8.833 -0.932 44 HB ILE 6 HB ILE 6 57.940 9.701 -1.978 45 HG12 ILE 6 HG12 ILE 6 57.073 8.034 -4.389 46 HG13 ILE 6 HG11 ILE 6 57.214 9.806 -4.324 47 HG21 ILE 6 HG21 ILE 6 59.235 7.687 -1.909 48 HG22 ILE 6 HG22 ILE 6 57.866 6.698 -2.472 49 HG23 ILE 6 HG23 ILE 6 57.847 7.399 -0.837 50 HD11 ILE 6 HD1 ILE 6 59.231 9.112 -5.363 51 HD12 ILE 6 HD2 ILE 6 59.427 7.727 -4.263 52 HD13 ILE 6 HD3 ILE 6 59.703 9.384 -3.669 53 H LYS 7 HN LYS 7 57.009 11.138 -2.438 54 HA LYS 7 HA LYS 7 56.056 13.230 -2.847 55 HB2 LYS 7 HB2 LYS 7 54.242 11.458 -4.545 56 HB3 LYS 7 HB1 LYS 7 53.903 13.195 -4.362 57 HG2 LYS 7 HG2 LYS 7 56.172 13.729 -5.209 58 HG3 LYS 7 HG1 LYS 7 56.507 11.991 -5.400 59 HD2 LYS 7 HD2 LYS 7 54.636 11.792 -7.001 60 HD3 LYS 7 HD1 LYS 7 54.269 13.522 -6.798 61 HE2 LYS 7 HE2 LYS 7 55.646 13.049 -8.844 62 HE3 LYS 7 HE1 LYS 7 56.460 14.138 -7.696 63 HZ1 LYS 7 HZ1 LYS 7 58.047 12.636 -7.299 64 HZ2 LYS 7 HZ2 LYS 7 57.523 11.871 -8.722 65 HZ3 LYS 7 HZ3 LYS 7 56.960 11.339 -7.210 66 H GLY 8 HN GLY 8 55.681 11.346 -0.942 67 HA2 GLY 8 HA1 GLY 8 54.523 10.529 0.753 68 HA3 GLY 8 HA2 GLY 8 54.218 12.272 1.118 69 H ALA 9 HN ALA 9 52.977 9.282 -0.130 70 HA ALA 9 HA ALA 9 50.879 8.562 -0.718 71 HB1 ALA 9 HB1 ALA 9 50.350 8.917 1.589 72 HB2 ALA 9 HB2 ALA 9 48.999 9.595 0.648 73 HB3 ALA 9 HB3 ALA 9 50.222 10.676 1.357 74 H ILE 10 HN ILE 10 52.111 10.435 -2.425 75 HA ILE 10 HA ILE 10 51.669 12.142 -3.961 76 HB ILE 10 HB ILE 10 49.378 11.512 -5.258 77 HG12 ILE 10 HG12 ILE 10 50.010 9.004 -3.620 78 HG13 ILE 10 HG11 ILE 10 48.573 10.025 -3.418 79 HG21 ILE 10 HG21 ILE 10 51.757 11.162 -6.058 80 HG22 ILE 10 HG22 ILE 10 50.628 9.895 -6.576 81 HG23 ILE 10 HG23 ILE 10 51.748 9.588 -5.229 82 HD11 ILE 10 HD1 ILE 10 47.755 8.325 -4.821 83 HD12 ILE 10 HD2 ILE 10 49.287 8.180 -5.710 84 HD13 ILE 10 HD3 ILE 10 48.215 9.573 -6.003 85 H HIS 11 HN HIS 11 48.212 11.695 -3.643 86 HA HIS 11 HA HIS 11 47.642 14.422 -3.425 87 HB2 HIS 11 HB2 HIS 11 46.029 12.170 -2.173 88 HB3 HIS 11 HB1 HIS 11 45.436 13.770 -2.677 89 HD1 HIS 11 HD1 HIS 11 46.489 14.198 -5.420 90 HD2 HIS 11 HD2 HIS 11 45.137 10.431 -4.127 91 HE1 HIS 11 HE1 HIS 11 45.945 12.827 -7.506 92 H GLY 12 HN GLY 12 49.298 12.533 -1.102 93 HA2 GLY 12 HA1 GLY 12 48.166 13.625 1.301 94 HA3 GLY 12 HA2 GLY 12 49.816 13.001 1.117 95 H GLY 13 HN GLY 13 49.532 15.182 -1.272 96 HA2 GLY 13 HA1 GLY 13 49.771 17.672 0.207 97 HA3 GLY 13 HA2 GLY 13 51.343 17.046 -0.330 98 H ARG 14 HN ARG 14 49.577 15.767 -2.638 99 HA ARG 14 HA ARG 14 49.983 18.109 -4.448 100 HB2 ARG 14 HB2 ARG 14 49.616 15.123 -4.811 101 HB3 ARG 14 HB1 ARG 14 49.342 16.223 -6.181 102 HG2 ARG 14 HG2 ARG 14 51.699 15.308 -6.041 103 HG3 ARG 14 HG1 ARG 14 51.605 17.083 -6.036 104 HD2 ARG 14 HD2 ARG 14 52.012 17.197 -3.676 105 HD3 ARG 14 HD1 ARG 14 51.726 15.454 -3.469 106 HE ARG 14 HE ARG 14 53.880 15.647 -5.254 107 HH11 ARG 14 HH11 ARG 14 53.073 15.972 -1.953 108 HH12 ARG 14 HH12 ARG 14 54.701 16.246 -1.429 109 HH21 ARG 14 HH21 ARG 14 56.005 16.317 -4.641 110 HH22 ARG 14 HH22 ARG 14 56.361 16.440 -2.951 111 H PHE 15 HN PHE 15 47.436 16.500 -2.739 112 HA PHE 15 HA PHE 15 45.246 16.661 -4.432 113 HB2 PHE 15 HB2 PHE 15 45.376 16.011 -1.918 114 HB3 PHE 15 HB1 PHE 15 45.081 17.732 -1.593 115 HD1 PHE 15 HD1 PHE 15 43.738 14.968 -3.811 116 HD2 PHE 15 HD2 PHE 15 42.821 18.396 -1.345 117 HE1 PHE 15 HE1 PHE 15 41.310 14.604 -4.203 118 HE2 PHE 15 HE2 PHE 15 40.393 18.027 -1.743 119 HZ PHE 15 HZ PHE 15 39.636 16.125 -3.161 120 H ILE 16 HN ILE 16 46.492 19.383 -2.410 121 HA ILE 16 HA ILE 16 45.746 21.285 -4.531 122 HB ILE 16 HB ILE 16 44.336 22.693 -2.981 123 HG12 ILE 16 HG12 ILE 16 44.416 20.129 -1.320 124 HG13 ILE 16 HG11 ILE 16 45.001 21.729 -0.825 125 HG21 ILE 16 HG21 ILE 16 43.430 21.057 -4.760 126 HG22 ILE 16 HG22 ILE 16 42.301 21.540 -3.479 127 HG23 ILE 16 HG23 ILE 16 43.090 19.947 -3.412 128 HD11 ILE 16 HD1 ILE 16 42.872 21.554 0.207 129 HD12 ILE 16 HD2 ILE 16 42.137 20.813 -1.234 130 HD13 ILE 16 HD3 ILE 16 42.565 22.541 -1.241 131 H HIS 17 HN HIS 17 48.234 20.800 -3.793 132 HA HIS 17 HA HIS 17 49.074 23.363 -2.699 133 HB2 HIS 17 HB2 HIS 17 48.558 22.206 -0.571 134 HB3 HIS 17 HB1 HIS 17 49.641 20.874 -1.036 135 HD1 HIS 17 HD1 HIS 17 51.846 21.077 0.095 136 HD2 HIS 17 HD2 HIS 17 50.210 24.838 -0.832 137 HE1 HIS 17 HE1 HIS 17 53.538 22.846 0.830 138 H GLY 18 HN GLY 18 49.367 20.591 -4.452 139 HA2 GLY 18 HA1 GLY 18 52.122 21.307 -5.313 140 HA3 GLY 18 HA2 GLY 18 51.830 19.639 -4.768 141 H MET 19 HN MET 19 49.714 21.881 -6.496 142 HA MET 19 HA MET 19 49.986 20.785 -9.143 143 HB2 MET 19 HB2 MET 19 49.053 18.870 -8.039 144 HB3 MET 19 HB1 MET 19 47.726 19.865 -7.458 145 HG2 MET 19 HG2 MET 19 46.919 20.237 -9.719 146 HG3 MET 19 HG1 MET 19 48.369 19.471 -10.405 147 HE1 MET 19 HE1 MET 19 45.596 18.967 -11.232 148 HE2 MET 19 HE2 MET 19 45.164 17.243 -11.122 149 HE3 MET 19 HE3 MET 19 46.686 17.732 -11.905 150 H ILE 20 HN ILE 20 47.400 21.791 -6.830 151 HA ILE 20 HA ILE 20 46.321 23.727 -8.763 152 HB ILE 20 HB ILE 20 45.995 23.309 -5.746 153 HG12 ILE 20 HG12 ILE 20 43.702 22.794 -6.333 154 HG13 ILE 20 HG11 ILE 20 43.930 23.393 -7.990 155 HG21 ILE 20 HG21 ILE 20 45.965 25.707 -5.945 156 HG22 ILE 20 HG22 ILE 20 44.261 25.199 -5.917 157 HG23 ILE 20 HG23 ILE 20 45.035 25.639 -7.459 158 HD11 ILE 20 HD1 ILE 20 43.991 20.828 -7.662 159 HD12 ILE 20 HD2 ILE 20 45.573 21.083 -6.886 160 HD13 ILE 20 HD3 ILE 20 45.329 21.555 -8.583 161 H GLN 21 HN GLN 21 49.034 23.141 -7.036 162 HA GLN 21 HA GLN 21 50.023 25.951 -7.148 163 HB2 GLN 21 HB2 GLN 21 49.760 24.991 -4.801 164 HB3 GLN 21 HB1 GLN 21 50.953 23.752 -5.258 165 HG2 GLN 21 HG2 GLN 21 52.620 25.481 -5.750 166 HG3 GLN 21 HG1 GLN 21 51.429 26.760 -5.408 167 HE21 GLN 21 HE21 GLN 21 50.905 27.242 -3.192 168 HE22 GLN 21 HE22 GLN 21 51.790 26.509 -1.851 169 H ASN 22 HN ASN 22 50.364 22.406 -8.001 170 HA ASN 22 HA ASN 22 53.034 23.237 -9.290 171 HB2 ASN 22 HB2 ASN 22 52.986 21.347 -7.491 172 HB3 ASN 22 HB1 ASN 22 52.251 20.360 -8.770 173 HD21 ASN 22 HD21 ASN 22 55.244 21.689 -7.567 174 HD22 ASN 22 HD22 ASN 22 56.258 21.132 -8.902 175 H HIS 23 HN HIS 23 50.146 23.448 -10.278 176 HA HIS 23 HA HIS 23 49.028 23.076 -12.279 177 HB2 HIS 23 HB2 HIS 23 51.125 24.174 -13.108 178 HB3 HIS 23 HB1 HIS 23 51.823 22.558 -13.365 179 HD1 HIS 23 HD1 HIS 23 48.768 24.631 -14.428 180 HD2 HIS 23 HD2 HIS 23 51.123 21.426 -15.798 181 HE1 HIS 23 HE1 HIS 23 47.964 24.046 -16.782 182 H HIS 24 HN HIS 24 48.725 21.488 -14.171 183 HA HIS 24 HA HIS 24 48.530 18.814 -12.988 184 HB2 HIS 24 HB2 HIS 24 47.836 19.909 -15.741 185 HB3 HIS 24 HB1 HIS 24 47.504 18.243 -15.210 186 HD1 HIS 24 HD1 HIS 24 46.896 21.794 -13.830 187 HD2 HIS 24 HD2 HIS 24 45.027 18.032 -14.017 188 HE1 HIS 24 HE1 HIS 24 44.588 22.036 -12.762 Start of MODEL 38 1 H1 PHE 1 HT1 PHE 1 56.620 11.916 5.038 2 H2 PHE 1 HT2 PHE 1 57.017 13.457 5.636 3 H3 PHE 1 HT3 PHE 1 58.245 12.386 5.154 4 HA PHE 1 HA PHE 1 56.543 14.112 3.592 5 HB2 PHE 1 HB2 PHE 1 59.031 14.375 3.928 6 HB3 PHE 1 HB1 PHE 1 59.258 12.857 3.028 7 HD1 PHE 1 HD1 PHE 1 57.829 16.315 2.795 8 HD2 PHE 1 HD2 PHE 1 59.149 12.819 0.632 9 HE1 PHE 1 HE1 PHE 1 57.648 17.571 0.653 10 HE2 PHE 1 HE2 PHE 1 58.967 14.077 -1.511 11 HZ PHE 1 HZ PHE 1 58.282 16.473 -1.493 12 H LEU 2 HN LEU 2 56.427 10.901 4.163 13 HA LEU 2 HA LEU 2 55.093 10.366 1.634 14 HB2 LEU 2 HB2 LEU 2 56.551 8.728 0.700 15 HB3 LEU 2 HB1 LEU 2 57.570 10.138 1.058 16 HG LEU 2 HG LEU 2 57.347 7.554 2.667 17 HD11 LEU 2 HD11 LEU 2 58.812 7.500 0.678 18 HD12 LEU 2 HD12 LEU 2 59.771 7.431 2.175 19 HD13 LEU 2 HD13 LEU 2 59.662 8.952 1.258 20 HD21 LEU 2 HD21 LEU 2 57.498 9.275 4.334 21 HD22 LEU 2 HD22 LEU 2 58.630 10.235 3.349 22 HD23 LEU 2 HD23 LEU 2 59.167 8.711 4.095 23 H GLY 3 HN GLY 3 54.976 7.681 1.553 24 HA2 GLY 3 HA1 GLY 3 54.730 6.438 4.142 25 HA3 GLY 3 HA2 GLY 3 53.151 7.019 3.580 26 H ALA 4 HN ALA 4 52.873 6.511 1.065 27 HA ALA 4 HA ALA 4 52.843 3.589 0.942 28 HB1 ALA 4 HB1 ALA 4 51.805 4.006 -1.302 29 HB2 ALA 4 HB2 ALA 4 52.048 5.749 -1.038 30 HB3 ALA 4 HB3 ALA 4 50.974 4.826 0.042 31 H LEU 5 HN LEU 5 54.400 6.206 -0.967 32 HA LEU 5 HA LEU 5 56.771 4.562 -1.382 33 HB2 LEU 5 HB2 LEU 5 54.873 3.784 -3.074 34 HB3 LEU 5 HB1 LEU 5 55.331 5.253 -3.960 35 HG LEU 5 HG LEU 5 57.184 2.959 -3.158 36 HD11 LEU 5 HD11 LEU 5 55.587 2.593 -5.091 37 HD12 LEU 5 HD12 LEU 5 57.308 2.514 -5.540 38 HD13 LEU 5 HD13 LEU 5 56.355 3.971 -5.911 39 HD21 LEU 5 HD21 LEU 5 57.700 5.668 -4.451 40 HD22 LEU 5 HD22 LEU 5 58.811 4.294 -4.669 41 HD23 LEU 5 HD23 LEU 5 58.512 4.944 -3.042 42 H ILE 6 HN ILE 6 55.063 7.064 -3.327 43 HA ILE 6 HA ILE 6 56.644 9.260 -2.274 44 HB ILE 6 HB ILE 6 58.328 7.842 -3.758 45 HG12 ILE 6 HG12 ILE 6 59.123 10.205 -4.818 46 HG13 ILE 6 HG11 ILE 6 57.863 10.840 -3.738 47 HG21 ILE 6 HG21 ILE 6 56.419 7.944 -5.693 48 HG22 ILE 6 HG22 ILE 6 58.153 7.836 -6.064 49 HG23 ILE 6 HG23 ILE 6 57.332 9.406 -6.135 50 HD11 ILE 6 HD1 ILE 6 58.937 9.589 -1.835 51 HD12 ILE 6 HD2 ILE 6 59.991 10.830 -2.551 52 HD13 ILE 6 HD3 ILE 6 60.247 9.114 -2.942 53 H LYS 7 HN LYS 7 56.676 10.631 -4.991 54 HA LYS 7 HA LYS 7 55.176 12.204 -5.831 55 HB2 LYS 7 HB2 LYS 7 54.053 10.064 -6.810 56 HB3 LYS 7 HB1 LYS 7 52.955 10.146 -5.413 57 HG2 LYS 7 HG2 LYS 7 52.164 12.342 -6.076 58 HG3 LYS 7 HG1 LYS 7 53.394 12.452 -7.360 59 HD2 LYS 7 HD2 LYS 7 52.373 10.577 -8.556 60 HD3 LYS 7 HD1 LYS 7 51.195 10.343 -7.242 61 HE2 LYS 7 HE2 LYS 7 50.200 11.618 -9.125 62 HE3 LYS 7 HE1 LYS 7 50.282 12.606 -7.647 63 HZ1 LYS 7 HZ1 LYS 7 52.688 12.850 -9.119 64 HZ2 LYS 7 HZ2 LYS 7 51.570 14.056 -8.692 65 HZ3 LYS 7 HZ3 LYS 7 51.374 13.184 -10.136 66 H GLY 8 HN GLY 8 55.962 11.502 -3.338 67 HA2 GLY 8 HA1 GLY 8 55.681 11.564 -1.137 68 HA3 GLY 8 HA2 GLY 8 55.215 13.274 -1.481 69 H ALA 9 HN ALA 9 54.055 9.968 -1.041 70 HA ALA 9 HA ALA 9 51.995 9.123 -0.432 71 HB1 ALA 9 HB1 ALA 9 50.929 10.319 1.487 72 HB2 ALA 9 HB2 ALA 9 52.074 11.658 1.236 73 HB3 ALA 9 HB3 ALA 9 52.675 10.048 1.701 74 H ILE 10 HN ILE 10 51.826 10.325 -2.873 75 HA ILE 10 HA ILE 10 50.456 11.559 -4.308 76 HB ILE 10 HB ILE 10 48.021 10.792 -4.148 77 HG12 ILE 10 HG12 ILE 10 49.125 9.061 -1.883 78 HG13 ILE 10 HG11 ILE 10 48.066 10.464 -1.631 79 HG21 ILE 10 HG21 ILE 10 48.543 8.546 -4.884 80 HG22 ILE 10 HG22 ILE 10 50.083 8.554 -3.993 81 HG23 ILE 10 HG23 ILE 10 49.870 9.600 -5.417 82 HD11 ILE 10 HD1 ILE 10 47.425 7.814 -2.958 83 HD12 ILE 10 HD2 ILE 10 46.452 9.261 -3.315 84 HD13 ILE 10 HD3 ILE 10 46.557 8.647 -1.650 85 H HIS 11 HN HIS 11 51.146 13.555 -3.058 86 HA HIS 11 HA HIS 11 50.577 15.613 -2.150 87 HB2 HIS 11 HB2 HIS 11 47.848 14.884 -3.289 88 HB3 HIS 11 HB1 HIS 11 48.375 16.516 -2.811 89 HD1 HIS 11 HD1 HIS 11 50.648 14.029 -4.569 90 HD2 HIS 11 HD2 HIS 11 48.441 17.487 -5.483 91 HE1 HIS 11 HE1 HIS 11 51.397 14.820 -6.880 92 H GLY 12 HN GLY 12 50.152 13.060 -0.581 93 HA2 GLY 12 HA1 GLY 12 49.323 12.463 1.495 94 HA3 GLY 12 HA2 GLY 12 49.292 14.204 1.840 95 H GLY 13 HN GLY 13 47.439 11.817 -0.112 96 HA2 GLY 13 HA1 GLY 13 45.154 11.500 -0.295 97 HA3 GLY 13 HA2 GLY 13 45.028 12.141 1.356 98 H ARG 14 HN ARG 14 45.480 13.178 -2.034 99 HA ARG 14 HA ARG 14 43.290 15.038 -1.858 100 HB2 ARG 14 HB2 ARG 14 44.847 16.374 -0.524 101 HB3 ARG 14 HB1 ARG 14 46.104 16.203 -1.767 102 HG2 ARG 14 HG2 ARG 14 44.917 18.414 -1.863 103 HG3 ARG 14 HG1 ARG 14 44.769 17.487 -3.369 104 HD2 ARG 14 HD2 ARG 14 42.500 16.965 -2.972 105 HD3 ARG 14 HD1 ARG 14 42.639 17.241 -1.219 106 HE ARG 14 HE ARG 14 42.160 19.509 -1.626 107 HH11 ARG 14 HH11 ARG 14 40.613 19.880 -3.707 108 HH12 ARG 14 HH12 ARG 14 41.556 20.413 -5.058 109 HH21 ARG 14 HH21 ARG 14 44.572 19.375 -3.697 110 HH22 ARG 14 HH22 ARG 14 43.799 20.129 -5.052 111 H PHE 15 HN PHE 15 46.161 13.750 -3.398 112 HA PHE 15 HA PHE 15 46.113 14.959 -5.915 113 HB2 PHE 15 HB2 PHE 15 47.710 13.178 -5.123 114 HB3 PHE 15 HB1 PHE 15 46.437 11.974 -5.437 115 HD1 PHE 15 HD1 PHE 15 46.312 10.996 -7.591 116 HD2 PHE 15 HD2 PHE 15 48.210 14.847 -7.122 117 HE1 PHE 15 HE1 PHE 15 46.955 10.974 -9.996 118 HE2 PHE 15 HE2 PHE 15 48.852 14.821 -9.529 119 HZ PHE 15 HZ PHE 15 48.177 12.909 -10.978 120 H ILE 16 HN ILE 16 44.121 12.205 -4.765 121 HA ILE 16 HA ILE 16 42.547 12.292 -7.288 122 HB ILE 16 HB ILE 16 42.068 10.512 -4.863 123 HG12 ILE 16 HG12 ILE 16 44.450 10.344 -5.889 124 HG13 ILE 16 HG11 ILE 16 43.511 8.849 -5.752 125 HG21 ILE 16 HG21 ILE 16 41.069 9.035 -6.692 126 HG22 ILE 16 HG22 ILE 16 41.216 10.431 -7.782 127 HG23 ILE 16 HG23 ILE 16 40.183 10.535 -6.338 128 HD11 ILE 16 HD1 ILE 16 44.715 9.179 -7.972 129 HD12 ILE 16 HD2 ILE 16 43.597 10.517 -8.305 130 HD13 ILE 16 HD3 ILE 16 42.971 8.866 -8.104 131 H HIS 17 HN HIS 17 41.387 11.866 -3.893 132 HA HIS 17 HA HIS 17 39.883 14.381 -4.003 133 HB2 HIS 17 HB2 HIS 17 38.457 11.719 -4.396 134 HB3 HIS 17 HB1 HIS 17 37.631 13.175 -3.797 135 HD1 HIS 17 HD1 HIS 17 38.592 15.412 -5.492 136 HD2 HIS 17 HD2 HIS 17 37.827 11.593 -7.077 137 HE1 HIS 17 HE1 HIS 17 38.245 15.688 -8.008 138 H GLY 18 HN GLY 18 41.806 13.309 -2.212 139 HA2 GLY 18 HA1 GLY 18 41.940 13.429 0.137 140 HA3 GLY 18 HA2 GLY 18 40.191 13.328 0.251 141 H MET 19 HN MET 19 43.046 11.521 -0.611 142 HA MET 19 HA MET 19 43.341 9.258 -0.525 143 HB2 MET 19 HB2 MET 19 43.619 10.306 1.847 144 HB3 MET 19 HB1 MET 19 42.231 9.264 2.216 145 HG2 MET 19 HG2 MET 19 44.204 7.998 2.764 146 HG3 MET 19 HG1 MET 19 43.596 7.321 1.238 147 HE1 MET 19 HE1 MET 19 45.620 6.384 -0.088 148 HE2 MET 19 HE2 MET 19 46.023 6.320 1.645 149 HE3 MET 19 HE3 MET 19 47.244 6.857 0.467 150 H ILE 20 HN ILE 20 40.500 10.066 -1.270 151 HA ILE 20 HA ILE 20 38.522 8.913 -1.639 152 HB ILE 20 HB ILE 20 40.408 6.504 -1.445 153 HG12 ILE 20 HG12 ILE 20 40.064 6.404 -3.867 154 HG13 ILE 20 HG11 ILE 20 38.886 7.734 -3.785 155 HG21 ILE 20 HG21 ILE 20 38.380 5.291 -2.527 156 HG22 ILE 20 HG22 ILE 20 37.403 6.628 -1.873 157 HG23 ILE 20 HG23 ILE 20 38.327 5.577 -0.773 158 HD11 ILE 20 HD1 ILE 20 41.356 8.284 -4.478 159 HD12 ILE 20 HD2 ILE 20 41.714 8.122 -2.745 160 HD13 ILE 20 HD3 ILE 20 40.548 9.348 -3.303 161 H GLN 21 HN GLN 21 40.452 8.924 1.072 162 HA GLN 21 HA GLN 21 38.173 7.958 2.828 163 HB2 GLN 21 HB2 GLN 21 41.141 7.397 3.202 164 HB3 GLN 21 HB1 GLN 21 39.855 6.993 4.363 165 HG2 GLN 21 HG2 GLN 21 39.920 5.990 1.485 166 HG3 GLN 21 HG1 GLN 21 40.539 5.066 2.874 167 HE21 GLN 21 HE21 GLN 21 38.102 4.636 0.998 168 HE22 GLN 21 HE22 GLN 21 36.759 4.429 2.127 169 H ASN 22 HN ASN 22 40.748 10.341 2.163 170 HA ASN 22 HA ASN 22 40.408 11.515 4.879 171 HB2 ASN 22 HB2 ASN 22 41.997 12.348 2.413 172 HB3 ASN 22 HB1 ASN 22 41.890 13.331 3.889 173 HD21 ASN 22 HD21 ASN 22 41.703 9.941 4.545 174 HD22 ASN 22 HD22 ASN 22 43.384 9.724 5.042 175 H HIS 23 HN HIS 23 39.545 11.829 1.504 176 HA HIS 23 HA HIS 23 37.852 13.085 0.483 177 HB2 HIS 23 HB2 HIS 23 36.524 11.935 2.350 178 HB3 HIS 23 HB1 HIS 23 36.643 13.467 3.247 179 HD1 HIS 23 HD1 HIS 23 36.025 15.651 1.428 180 HD2 HIS 23 HD2 HIS 23 34.213 11.899 0.860 181 HE1 HIS 23 HE1 HIS 23 33.895 16.031 0.069 182 H HIS 24 HN HIS 24 37.251 15.206 -0.037 183 HA HIS 24 HA HIS 24 39.112 17.224 0.816 184 HB2 HIS 24 HB2 HIS 24 37.971 17.200 -1.400 185 HB3 HIS 24 HB1 HIS 24 36.433 17.573 -0.586 186 HD1 HIS 24 HD1 HIS 24 35.938 19.990 -0.082 187 HD2 HIS 24 HD2 HIS 24 39.981 19.337 -1.045 188 HE1 HIS 24 HE1 HIS 24 37.066 22.277 -0.223 Start of MODEL 39 1 H1 PHE 1 HT1 PHE 1 51.800 2.798 -11.179 2 H2 PHE 1 HT2 PHE 1 51.784 2.670 -9.485 3 H3 PHE 1 HT3 PHE 1 51.298 1.355 -10.445 4 HA PHE 1 HA PHE 1 53.375 0.723 -9.857 5 HB2 PHE 1 HB2 PHE 1 53.856 2.393 -12.355 6 HB3 PHE 1 HB1 PHE 1 54.749 0.941 -11.843 7 HD1 PHE 1 HD1 PHE 1 51.519 2.223 -13.161 8 HD2 PHE 1 HD2 PHE 1 53.793 -1.288 -12.092 9 HE1 PHE 1 HE1 PHE 1 49.853 0.786 -14.331 10 HE2 PHE 1 HE2 PHE 1 52.125 -2.723 -13.262 11 HZ PHE 1 HZ PHE 1 50.160 -1.686 -14.387 12 H LEU 2 HN LEU 2 52.887 2.995 -8.263 13 HA LEU 2 HA LEU 2 54.957 4.980 -8.576 14 HB2 LEU 2 HB2 LEU 2 53.205 4.090 -6.266 15 HB3 LEU 2 HB1 LEU 2 54.440 5.344 -6.048 16 HG LEU 2 HG LEU 2 52.066 6.157 -6.576 17 HD11 LEU 2 HD11 LEU 2 52.823 8.031 -7.801 18 HD12 LEU 2 HD12 LEU 2 54.031 7.093 -8.700 19 HD13 LEU 2 HD13 LEU 2 54.288 7.455 -6.980 20 HD21 LEU 2 HD21 LEU 2 51.669 4.363 -8.329 21 HD22 LEU 2 HD22 LEU 2 52.751 5.269 -9.412 22 HD23 LEU 2 HD23 LEU 2 51.241 6.013 -8.836 23 H GLY 3 HN GLY 3 55.010 1.705 -7.623 24 HA2 GLY 3 HA1 GLY 3 56.798 0.388 -6.960 25 HA3 GLY 3 HA2 GLY 3 57.858 1.800 -7.137 26 H ALA 4 HN ALA 4 55.626 3.059 -5.228 27 HA ALA 4 HA ALA 4 56.131 1.734 -2.697 28 HB1 ALA 4 HB1 ALA 4 57.697 4.258 -3.334 29 HB2 ALA 4 HB2 ALA 4 58.359 2.650 -2.951 30 HB3 ALA 4 HB3 ALA 4 57.496 3.580 -1.701 31 H LEU 5 HN LEU 5 56.308 5.034 -2.135 32 HA LEU 5 HA LEU 5 53.509 5.715 -2.598 33 HB2 LEU 5 HB2 LEU 5 53.171 6.007 0.017 34 HB3 LEU 5 HB1 LEU 5 52.885 4.427 -0.744 35 HG LEU 5 HG LEU 5 55.110 3.652 -0.099 36 HD11 LEU 5 HD11 LEU 5 55.441 6.521 0.862 37 HD12 LEU 5 HD12 LEU 5 56.484 5.598 -0.248 38 HD13 LEU 5 HD13 LEU 5 56.456 5.198 1.484 39 HD21 LEU 5 HD21 LEU 5 53.265 3.437 1.541 40 HD22 LEU 5 HD22 LEU 5 53.671 5.035 2.210 41 HD23 LEU 5 HD23 LEU 5 54.823 3.687 2.363 42 H ILE 6 HN ILE 6 56.215 6.731 -3.106 43 HA ILE 6 HA ILE 6 56.561 9.055 -1.293 44 HB ILE 6 HB ILE 6 58.369 9.699 -2.863 45 HG12 ILE 6 HG12 ILE 6 57.264 7.426 -4.582 46 HG13 ILE 6 HG11 ILE 6 57.289 9.154 -5.001 47 HG21 ILE 6 HG21 ILE 6 59.816 7.822 -2.509 48 HG22 ILE 6 HG22 ILE 6 58.458 6.674 -2.550 49 HG23 ILE 6 HG23 ILE 6 58.643 7.785 -1.173 50 HD11 ILE 6 HD1 ILE 6 59.622 7.223 -4.786 51 HD12 ILE 6 HD2 ILE 6 59.874 8.985 -4.694 52 HD13 ILE 6 HD3 ILE 6 59.159 8.262 -6.155 53 H LYS 7 HN LYS 7 57.273 10.917 -3.514 54 HA LYS 7 HA LYS 7 56.116 12.782 -4.295 55 HB2 LYS 7 HB2 LYS 7 55.142 11.015 -5.957 56 HB3 LYS 7 HB1 LYS 7 53.736 10.952 -4.866 57 HG2 LYS 7 HG2 LYS 7 53.521 13.457 -5.115 58 HG3 LYS 7 HG1 LYS 7 54.806 13.395 -6.345 59 HD2 LYS 7 HD2 LYS 7 53.420 11.765 -7.653 60 HD3 LYS 7 HD1 LYS 7 52.116 11.963 -6.457 61 HE2 LYS 7 HE2 LYS 7 53.344 14.275 -8.015 62 HE3 LYS 7 HE1 LYS 7 51.865 13.421 -8.515 63 HZ1 LYS 7 HZ1 LYS 7 52.309 15.215 -6.239 64 HZ2 LYS 7 HZ2 LYS 7 51.212 13.933 -6.031 65 HZ3 LYS 7 HZ3 LYS 7 50.965 15.075 -7.263 66 H GLY 8 HN GLY 8 56.233 11.491 -1.920 67 HA2 GLY 8 HA1 GLY 8 55.432 11.121 0.116 68 HA3 GLY 8 HA2 GLY 8 55.143 12.905 0.078 69 H ALA 9 HN ALA 9 53.747 9.755 -0.747 70 HA ALA 9 HA ALA 9 51.626 8.915 -0.492 71 HB1 ALA 9 HB1 ALA 9 51.707 10.384 1.662 72 HB2 ALA 9 HB2 ALA 9 50.123 9.840 1.062 73 HB3 ALA 9 HB3 ALA 9 50.666 11.505 0.755 74 H ILE 10 HN ILE 10 51.881 9.212 -2.851 75 HA ILE 10 HA ILE 10 51.260 10.113 -4.904 76 HB ILE 10 HB ILE 10 48.625 10.263 -5.080 77 HG12 ILE 10 HG12 ILE 10 48.957 8.984 -2.323 78 HG13 ILE 10 HG11 ILE 10 48.228 10.577 -2.642 79 HG21 ILE 10 HG21 ILE 10 49.909 7.654 -4.150 80 HG22 ILE 10 HG22 ILE 10 50.073 8.323 -5.791 81 HG23 ILE 10 HG23 ILE 10 48.478 7.827 -5.192 82 HD11 ILE 10 HD1 ILE 10 46.303 9.248 -2.581 83 HD12 ILE 10 HD2 ILE 10 47.143 7.816 -3.220 84 HD13 ILE 10 HD3 ILE 10 46.687 9.141 -4.313 85 H HIS 11 HN HIS 11 48.394 11.777 -4.176 86 HA HIS 11 HA HIS 11 49.775 14.345 -4.754 87 HB2 HIS 11 HB2 HIS 11 47.645 13.640 -5.912 88 HB3 HIS 11 HB1 HIS 11 46.813 13.793 -4.348 89 HD1 HIS 11 HD1 HIS 11 49.455 16.280 -4.514 90 HD2 HIS 11 HD2 HIS 11 45.482 16.026 -5.868 91 HE1 HIS 11 HE1 HIS 11 48.685 18.654 -5.068 92 H GLY 12 HN GLY 12 50.333 13.101 -2.214 93 HA2 GLY 12 HA1 GLY 12 50.496 13.746 0.005 94 HA3 GLY 12 HA2 GLY 12 49.949 15.359 -0.501 95 H GLY 13 HN GLY 13 48.344 12.162 -0.653 96 HA2 GLY 13 HA1 GLY 13 46.282 11.496 0.162 97 HA3 GLY 13 HA2 GLY 13 46.624 12.525 1.570 98 H ARG 14 HN ARG 14 45.952 13.074 -1.921 99 HA ARG 14 HA ARG 14 43.533 14.647 -1.144 100 HB2 ARG 14 HB2 ARG 14 45.414 16.282 -1.176 101 HB3 ARG 14 HB1 ARG 14 45.795 15.791 -2.841 102 HG2 ARG 14 HG2 ARG 14 44.448 17.860 -2.828 103 HG3 ARG 14 HG1 ARG 14 43.539 16.534 -3.579 104 HD2 ARG 14 HD2 ARG 14 42.049 16.361 -1.771 105 HD3 ARG 14 HD1 ARG 14 43.215 17.040 -0.608 106 HE ARG 14 HE ARG 14 42.505 19.020 -2.582 107 HH11 ARG 14 HH11 ARG 14 41.684 20.844 -1.404 108 HH12 ARG 14 HH12 ARG 14 40.467 20.547 -0.207 109 HH21 ARG 14 HH21 ARG 14 40.787 17.098 -0.353 110 HH22 ARG 14 HH22 ARG 14 39.962 18.426 0.389 111 H PHE 15 HN PHE 15 45.481 12.836 -3.400 112 HA PHE 15 HA PHE 15 44.172 13.231 -5.833 113 HB2 PHE 15 HB2 PHE 15 46.087 11.606 -5.254 114 HB3 PHE 15 HB1 PHE 15 44.816 10.454 -4.781 115 HD1 PHE 15 HD1 PHE 15 45.971 12.628 -7.622 116 HD2 PHE 15 HD2 PHE 15 43.687 9.162 -6.436 117 HE1 PHE 15 HE1 PHE 15 45.646 12.021 -10.016 118 HE2 PHE 15 HE2 PHE 15 43.364 8.556 -8.832 119 HZ PHE 15 HZ PHE 15 44.366 9.971 -10.620 120 H ILE 16 HN ILE 16 42.899 11.904 -2.890 121 HA ILE 16 HA ILE 16 40.320 11.261 -4.315 122 HB ILE 16 HB ILE 16 41.420 9.850 -1.842 123 HG12 ILE 16 HG12 ILE 16 41.022 8.693 -4.642 124 HG13 ILE 16 HG11 ILE 16 42.573 9.390 -4.131 125 HG21 ILE 16 HG21 ILE 16 38.909 9.536 -3.547 126 HG22 ILE 16 HG22 ILE 16 39.003 9.921 -1.813 127 HG23 ILE 16 HG23 ILE 16 39.454 8.303 -2.391 128 HD11 ILE 16 HD1 ILE 16 42.850 7.100 -3.651 129 HD12 ILE 16 HD2 ILE 16 41.176 6.905 -3.099 130 HD13 ILE 16 HD3 ILE 16 42.356 7.756 -2.076 131 H HIS 17 HN HIS 17 41.079 11.275 -0.782 132 HA HIS 17 HA HIS 17 39.694 13.903 -0.533 133 HB2 HIS 17 HB2 HIS 17 37.892 12.115 -0.579 134 HB3 HIS 17 HB1 HIS 17 38.610 11.455 0.907 135 HD1 HIS 17 HD1 HIS 17 38.349 12.792 3.105 136 HD2 HIS 17 HD2 HIS 17 36.623 14.667 -0.243 137 HE1 HIS 17 HE1 HIS 17 36.907 14.715 3.968 138 H GLY 18 HN GLY 18 42.259 12.110 0.174 139 HA2 GLY 18 HA1 GLY 18 43.818 12.181 1.885 140 HA3 GLY 18 HA2 GLY 18 43.016 13.672 2.436 141 H MET 19 HN MET 19 42.081 10.263 2.138 142 HA MET 19 HA MET 19 41.965 9.717 4.975 143 HB2 MET 19 HB2 MET 19 40.235 11.229 5.003 144 HB3 MET 19 HB1 MET 19 39.531 10.571 3.534 145 HG2 MET 19 HG2 MET 19 38.817 8.562 4.655 146 HG3 MET 19 HG1 MET 19 39.803 8.944 6.085 147 HE1 MET 19 HE1 MET 19 36.219 9.053 4.655 148 HE2 MET 19 HE2 MET 19 37.175 10.206 3.695 149 HE3 MET 19 HE3 MET 19 35.840 10.792 4.717 150 H ILE 20 HN ILE 20 40.606 9.158 1.709 151 HA ILE 20 HA ILE 20 40.330 6.262 2.226 152 HB ILE 20 HB ILE 20 40.531 7.930 -0.338 153 HG12 ILE 20 HG12 ILE 20 38.205 7.293 -0.646 154 HG13 ILE 20 HG11 ILE 20 38.285 6.149 0.711 155 HG21 ILE 20 HG21 ILE 20 40.418 4.909 0.045 156 HG22 ILE 20 HG22 ILE 20 41.611 5.848 -0.883 157 HG23 ILE 20 HG23 ILE 20 39.940 5.701 -1.476 158 HD11 ILE 20 HD1 ILE 20 38.822 9.116 1.095 159 HD12 ILE 20 HD2 ILE 20 38.409 7.897 2.325 160 HD13 ILE 20 HD3 ILE 20 37.176 8.444 1.163 161 H GLN 21 HN GLN 21 42.566 8.658 2.060 162 HA GLN 21 HA GLN 21 44.890 6.846 1.658 163 HB2 GLN 21 HB2 GLN 21 44.430 8.792 -0.051 164 HB3 GLN 21 HB1 GLN 21 44.954 9.861 1.268 165 HG2 GLN 21 HG2 GLN 21 46.590 7.521 0.176 166 HG3 GLN 21 HG1 GLN 21 46.822 9.223 -0.280 167 HE21 GLN 21 HE21 GLN 21 47.003 10.753 1.814 168 HE22 GLN 21 HE22 GLN 21 48.081 10.125 3.065 169 H ASN 22 HN ASN 22 43.168 9.424 3.744 170 HA ASN 22 HA ASN 22 45.611 9.122 5.592 171 HB2 ASN 22 HB2 ASN 22 43.445 11.210 5.925 172 HB3 ASN 22 HB1 ASN 22 45.107 11.207 6.543 173 HD21 ASN 22 HD21 ASN 22 44.286 13.459 5.104 174 HD22 ASN 22 HD22 ASN 22 45.069 13.456 3.521 175 H HIS 23 HN HIS 23 43.079 7.375 5.118 176 HA HIS 23 HA HIS 23 41.501 6.266 6.440 177 HB2 HIS 23 HB2 HIS 23 42.502 5.192 8.402 178 HB3 HIS 23 HB1 HIS 23 43.660 5.210 7.050 179 HD1 HIS 23 HD1 HIS 23 42.815 7.172 10.238 180 HD2 HIS 23 HD2 HIS 23 46.028 6.592 7.587 181 HE1 HIS 23 HE1 HIS 23 44.865 8.297 11.266 182 H HIS 24 HN HIS 24 41.090 6.073 9.173 183 HA HIS 24 HA HIS 24 39.422 8.356 9.644 184 HB2 HIS 24 HB2 HIS 24 40.482 6.227 11.545 185 HB3 HIS 24 HB1 HIS 24 39.207 7.403 11.951 186 HD1 HIS 24 HD1 HIS 24 37.494 7.449 9.452 187 HD2 HIS 24 HD2 HIS 24 39.027 3.904 11.113 188 HE1 HIS 24 HE1 HIS 24 36.047 5.522 8.603 Start of MODEL 40 1 H1 PHE 1 HT1 PHE 1 60.998 10.960 -12.401 2 H2 PHE 1 HT2 PHE 1 61.061 12.548 -11.800 3 H3 PHE 1 HT3 PHE 1 60.349 12.235 -13.310 4 HA PHE 1 HA PHE 1 59.108 12.391 -10.883 5 HB2 PHE 1 HB2 PHE 1 58.205 11.261 -13.561 6 HB3 PHE 1 HB1 PHE 1 57.116 11.705 -12.225 7 HD1 PHE 1 HD1 PHE 1 56.875 14.070 -11.518 8 HD2 PHE 1 HD2 PHE 1 59.329 12.962 -14.893 9 HE1 PHE 1 HE1 PHE 1 56.920 16.446 -12.266 10 HE2 PHE 1 HE2 PHE 1 59.372 15.339 -15.641 11 HZ PHE 1 HZ PHE 1 58.210 17.088 -14.299 12 H LEU 2 HN LEU 2 58.980 11.013 -9.246 13 HA LEU 2 HA LEU 2 59.646 8.205 -9.552 14 HB2 LEU 2 HB2 LEU 2 58.163 9.422 -7.198 15 HB3 LEU 2 HB1 LEU 2 59.281 8.039 -7.210 16 HG LEU 2 HG LEU 2 60.001 10.958 -7.733 17 HD11 LEU 2 HD11 LEU 2 59.567 10.340 -5.352 18 HD12 LEU 2 HD12 LEU 2 61.276 10.743 -5.642 19 HD13 LEU 2 HD13 LEU 2 60.776 9.041 -5.488 20 HD21 LEU 2 HD21 LEU 2 61.447 9.662 -9.131 21 HD22 LEU 2 HD22 LEU 2 61.602 8.371 -7.914 22 HD23 LEU 2 HD23 LEU 2 62.386 9.947 -7.649 23 H GLY 3 HN GLY 3 57.665 7.108 -7.763 24 HA2 GLY 3 HA1 GLY 3 55.013 7.434 -8.745 25 HA3 GLY 3 HA2 GLY 3 55.795 6.147 -9.682 26 H ALA 4 HN ALA 4 57.408 5.967 -6.899 27 HA ALA 4 HA ALA 4 55.962 3.616 -6.017 28 HB1 ALA 4 HB1 ALA 4 57.608 3.661 -4.134 29 HB2 ALA 4 HB2 ALA 4 58.206 5.220 -4.749 30 HB3 ALA 4 HB3 ALA 4 58.363 3.752 -5.742 31 H LEU 5 HN LEU 5 55.940 3.643 -3.308 32 HA LEU 5 HA LEU 5 53.538 5.227 -2.773 33 HB2 LEU 5 HB2 LEU 5 55.173 3.676 -0.735 34 HB3 LEU 5 HB1 LEU 5 53.432 4.040 -0.713 35 HG LEU 5 HG LEU 5 54.855 2.223 -2.711 36 HD11 LEU 5 HD11 LEU 5 52.913 1.632 -0.433 37 HD12 LEU 5 HD12 LEU 5 54.650 1.247 -0.452 38 HD13 LEU 5 HD13 LEU 5 53.546 0.436 -1.588 39 HD21 LEU 5 HD21 LEU 5 53.009 3.213 -3.869 40 HD22 LEU 5 HD22 LEU 5 51.969 3.159 -2.425 41 HD23 LEU 5 HD23 LEU 5 52.389 1.655 -3.279 42 H ILE 6 HN ILE 6 54.983 7.235 -3.358 43 HA ILE 6 HA ILE 6 55.532 8.553 -0.741 44 HB ILE 6 HB ILE 6 57.729 7.394 -1.680 45 HG12 ILE 6 HG12 ILE 6 59.000 9.714 -1.125 46 HG13 ILE 6 HG11 ILE 6 57.368 10.220 -0.640 47 HG21 ILE 6 HG21 ILE 6 58.796 8.221 -3.553 48 HG22 ILE 6 HG22 ILE 6 58.181 9.870 -3.335 49 HG23 ILE 6 HG23 ILE 6 57.135 8.618 -4.042 50 HD11 ILE 6 HD1 ILE 6 58.319 9.327 1.342 51 HD12 ILE 6 HD2 ILE 6 59.057 7.958 0.476 52 HD13 ILE 6 HD3 ILE 6 57.296 8.009 0.726 53 H LYS 7 HN LYS 7 57.030 10.731 -2.282 54 HA LYS 7 HA LYS 7 56.229 12.810 -2.965 55 HB2 LYS 7 HB2 LYS 7 54.232 11.159 -4.610 56 HB3 LYS 7 HB1 LYS 7 54.537 12.903 -4.800 57 HG2 LYS 7 HG2 LYS 7 56.823 12.500 -5.501 58 HG3 LYS 7 HG1 LYS 7 56.691 10.772 -5.103 59 HD2 LYS 7 HD2 LYS 7 56.443 11.030 -7.516 60 HD3 LYS 7 HD1 LYS 7 54.874 10.557 -6.827 61 HE2 LYS 7 HE2 LYS 7 53.970 12.734 -7.079 62 HE3 LYS 7 HE1 LYS 7 55.576 13.487 -7.239 63 HZ1 LYS 7 HZ1 LYS 7 54.763 13.395 -9.399 64 HZ2 LYS 7 HZ2 LYS 7 54.092 11.846 -9.206 65 HZ3 LYS 7 HZ3 LYS 7 55.777 12.037 -9.317 66 H GLY 8 HN GLY 8 55.564 11.124 -0.956 67 HA2 GLY 8 HA1 GLY 8 54.163 10.488 0.642 68 HA3 GLY 8 HA2 GLY 8 53.985 12.271 0.868 69 H ALA 9 HN ALA 9 52.603 9.317 -0.276 70 HA ALA 9 HA ALA 9 50.558 8.773 -1.212 71 HB1 ALA 9 HB1 ALA 9 48.683 9.465 0.245 72 HB2 ALA 9 HB2 ALA 9 49.747 10.658 1.027 73 HB3 ALA 9 HB3 ALA 9 50.092 8.918 1.184 74 H ILE 10 HN ILE 10 51.697 10.641 -2.831 75 HA ILE 10 HA ILE 10 51.316 12.532 -4.152 76 HB ILE 10 HB ILE 10 49.026 12.248 -5.445 77 HG12 ILE 10 HG12 ILE 10 48.200 10.605 -3.546 78 HG13 ILE 10 HG11 ILE 10 47.837 10.237 -5.232 79 HG21 ILE 10 HG21 ILE 10 51.122 11.739 -6.483 80 HG22 ILE 10 HG22 ILE 10 50.046 10.354 -6.775 81 HG23 ILE 10 HG23 ILE 10 51.319 10.250 -5.534 82 HD11 ILE 10 HD1 ILE 10 48.680 8.279 -3.824 83 HD12 ILE 10 HD2 ILE 10 50.266 9.071 -3.803 84 HD13 ILE 10 HD3 ILE 10 49.551 8.560 -5.345 85 H HIS 11 HN HIS 11 47.847 12.254 -3.607 86 HA HIS 11 HA HIS 11 47.463 14.995 -3.175 87 HB2 HIS 11 HB2 HIS 11 45.808 12.776 -1.919 88 HB3 HIS 11 HB1 HIS 11 45.272 14.418 -2.350 89 HD1 HIS 11 HD1 HIS 11 44.759 11.199 -3.549 90 HD2 HIS 11 HD2 HIS 11 46.284 14.637 -5.425 91 HE1 HIS 11 HE1 HIS 11 44.415 10.910 -6.064 92 H GLY 12 HN GLY 12 49.160 12.842 -1.149 93 HA2 GLY 12 HA1 GLY 12 48.315 13.837 1.420 94 HA3 GLY 12 HA2 GLY 12 49.863 13.050 1.058 95 H GLY 13 HN GLY 13 49.557 15.500 -1.110 96 HA2 GLY 13 HA1 GLY 13 50.330 17.751 0.590 97 HA3 GLY 13 HA2 GLY 13 51.682 17.048 -0.322 98 H ARG 14 HN ARG 14 49.750 16.225 -2.501 99 HA ARG 14 HA ARG 14 50.008 18.695 -4.051 100 HB2 ARG 14 HB2 ARG 14 50.107 16.082 -4.727 101 HB3 ARG 14 HB1 ARG 14 48.380 16.347 -5.041 102 HG2 ARG 14 HG2 ARG 14 50.699 17.947 -6.230 103 HG3 ARG 14 HG1 ARG 14 49.712 16.739 -7.083 104 HD2 ARG 14 HD2 ARG 14 47.683 18.271 -6.333 105 HD3 ARG 14 HD1 ARG 14 48.946 19.516 -6.161 106 HE ARG 14 HE ARG 14 49.386 18.406 -8.682 107 HH11 ARG 14 HH11 ARG 14 46.399 17.979 -8.663 108 HH12 ARG 14 HH12 ARG 14 45.827 19.467 -9.344 109 HH21 ARG 14 HH21 ARG 14 48.816 21.152 -8.846 110 HH22 ARG 14 HH22 ARG 14 47.195 21.262 -9.447 111 H PHE 15 HN PHE 15 47.481 16.987 -2.289 112 HA PHE 15 HA PHE 15 45.117 17.917 -3.344 113 HB2 PHE 15 HB2 PHE 15 45.360 16.536 -1.275 114 HB3 PHE 15 HB1 PHE 15 45.798 18.013 -0.381 115 HD1 PHE 15 HD1 PHE 15 44.132 19.688 0.180 116 HD2 PHE 15 HD2 PHE 15 43.085 16.280 -2.253 117 HE1 PHE 15 HE1 PHE 15 41.716 20.229 0.461 118 HE2 PHE 15 HE2 PHE 15 40.669 16.822 -1.973 119 HZ PHE 15 HZ PHE 15 39.991 18.845 -0.685 120 H ILE 16 HN ILE 16 46.935 19.757 -0.827 121 HA ILE 16 HA ILE 16 45.325 22.105 -1.118 122 HB ILE 16 HB ILE 16 48.236 22.072 -0.214 123 HG12 ILE 16 HG12 ILE 16 45.690 21.337 1.302 124 HG13 ILE 16 HG11 ILE 16 47.059 20.260 0.939 125 HG21 ILE 16 HG21 ILE 16 47.621 24.008 1.063 126 HG22 ILE 16 HG22 ILE 16 45.885 23.739 0.773 127 HG23 ILE 16 HG23 ILE 16 46.941 24.268 -0.559 128 HD11 ILE 16 HD1 ILE 16 47.445 20.935 3.180 129 HD12 ILE 16 HD2 ILE 16 46.960 22.615 2.852 130 HD13 ILE 16 HD3 ILE 16 48.512 21.998 2.231 131 H HIS 17 HN HIS 17 48.833 22.137 -1.879 132 HA HIS 17 HA HIS 17 48.435 22.799 -4.668 133 HB2 HIS 17 HB2 HIS 17 47.565 24.896 -3.501 134 HB3 HIS 17 HB1 HIS 17 49.221 25.152 -2.907 135 HD1 HIS 17 HD1 HIS 17 50.394 23.868 -5.737 136 HD2 HIS 17 HD2 HIS 17 47.927 27.231 -5.194 137 HE1 HIS 17 HE1 HIS 17 50.653 25.346 -7.806 138 H GLY 18 HN GLY 18 50.003 20.963 -3.409 139 HA2 GLY 18 HA1 GLY 18 52.287 20.446 -4.250 140 HA3 GLY 18 HA2 GLY 18 52.781 22.077 -3.740 141 H MET 19 HN MET 19 51.325 22.207 -1.408 142 HA MET 19 HA MET 19 51.103 20.620 0.540 143 HB2 MET 19 HB2 MET 19 52.874 19.087 0.279 144 HB3 MET 19 HB1 MET 19 54.065 20.371 0.065 145 HG2 MET 19 HG2 MET 19 53.940 20.984 2.402 146 HG3 MET 19 HG1 MET 19 52.511 19.952 2.644 147 HE1 MET 19 HE1 MET 19 53.709 19.303 4.646 148 HE2 MET 19 HE2 MET 19 54.720 17.842 4.736 149 HE3 MET 19 HE3 MET 19 53.049 17.731 4.134 150 H ILE 20 HN ILE 20 50.036 22.349 1.189 151 HA ILE 20 HA ILE 20 49.734 24.329 2.363 152 HB ILE 20 HB ILE 20 52.633 24.196 3.321 153 HG12 ILE 20 HG12 ILE 20 50.237 22.605 4.354 154 HG13 ILE 20 HG11 ILE 20 51.727 21.939 3.651 155 HG21 ILE 20 HG21 ILE 20 50.125 25.004 4.853 156 HG22 ILE 20 HG22 ILE 20 50.998 26.158 3.822 157 HG23 ILE 20 HG23 ILE 20 51.820 25.412 5.208 158 HD11 ILE 20 HD1 ILE 20 52.972 23.199 5.549 159 HD12 ILE 20 HD2 ILE 20 52.046 21.748 5.999 160 HD13 ILE 20 HD3 ILE 20 51.370 23.364 6.308 161 H GLN 21 HN GLN 21 50.972 23.823 -0.259 162 HA GLN 21 HA GLN 21 51.427 25.298 -2.054 163 HB2 GLN 21 HB2 GLN 21 50.834 27.281 -0.385 164 HB3 GLN 21 HB1 GLN 21 52.598 27.407 -0.192 165 HG2 GLN 21 HG2 GLN 21 52.017 28.910 -1.967 166 HG3 GLN 21 HG1 GLN 21 52.750 27.487 -2.745 167 HE21 GLN 21 HE21 GLN 21 49.415 28.302 -1.515 168 HE22 GLN 21 HE22 GLN 21 48.606 27.791 -3.000 169 H ASN 22 HN ASN 22 52.787 23.303 -0.595 170 HA ASN 22 HA ASN 22 54.850 22.381 -0.227 171 HB2 ASN 22 HB2 ASN 22 54.764 22.060 -2.550 172 HB3 ASN 22 HB1 ASN 22 55.218 23.756 -2.891 173 HD21 ASN 22 HD21 ASN 22 57.440 24.221 -3.106 174 HD22 ASN 22 HD22 ASN 22 58.722 23.074 -2.705 175 H HIS 23 HN HIS 23 54.656 24.002 1.540 176 HA HIS 23 HA HIS 23 56.291 26.335 1.595 177 HB2 HIS 23 HB2 HIS 23 56.220 26.145 4.011 178 HB3 HIS 23 HB1 HIS 23 54.647 25.630 3.359 179 HD1 HIS 23 HD1 HIS 23 54.953 22.772 2.628 180 HD2 HIS 23 HD2 HIS 23 56.838 24.379 6.028 181 HE1 HIS 23 HE1 HIS 23 55.478 20.827 4.200 182 H HIS 24 HN HIS 24 58.334 26.654 2.823 183 HA HIS 24 HA HIS 24 60.443 25.153 1.653 184 HB2 HIS 24 HB2 HIS 24 60.631 27.454 2.649 185 HB3 HIS 24 HB1 HIS 24 60.549 26.712 4.265 186 HD1 HIS 24 HD1 HIS 24 62.384 24.504 4.416 187 HD2 HIS 24 HD2 HIS 24 63.247 27.702 1.826 188 HE1 HIS 24 HE1 HIS 24 64.898 24.462 3.967 Start of MODEL 41 1 H1 PHE 1 HT1 PHE 1 62.711 5.295 -8.240 2 H2 PHE 1 HT2 PHE 1 62.027 6.828 -8.499 3 H3 PHE 1 HT3 PHE 1 63.461 6.386 -9.299 4 HA PHE 1 HA PHE 1 61.817 6.197 -10.890 5 HB2 PHE 1 HB2 PHE 1 62.155 3.417 -9.702 6 HB3 PHE 1 HB1 PHE 1 61.839 3.833 -11.404 7 HD1 PHE 1 HD1 PHE 1 64.353 3.931 -8.664 8 HD2 PHE 1 HD2 PHE 1 63.606 4.674 -12.849 9 HE1 PHE 1 HE1 PHE 1 66.803 4.151 -9.062 10 HE2 PHE 1 HE2 PHE 1 66.056 4.894 -13.248 11 HZ PHE 1 HZ PHE 1 67.646 4.710 -11.339 12 H LEU 2 HN LEU 2 60.862 5.098 -7.699 13 HA LEU 2 HA LEU 2 58.194 4.242 -8.469 14 HB2 LEU 2 HB2 LEU 2 59.017 5.226 -5.717 15 HB3 LEU 2 HB1 LEU 2 57.786 4.014 -6.140 16 HG LEU 2 HG LEU 2 60.804 3.732 -6.483 17 HD11 LEU 2 HD11 LEU 2 60.624 2.043 -4.750 18 HD12 LEU 2 HD12 LEU 2 58.848 2.166 -4.746 19 HD13 LEU 2 HD13 LEU 2 59.837 3.522 -4.151 20 HD21 LEU 2 HD21 LEU 2 60.093 1.310 -7.069 21 HD22 LEU 2 HD22 LEU 2 59.823 2.548 -8.315 22 HD23 LEU 2 HD23 LEU 2 58.460 1.975 -7.322 23 H GLY 3 HN GLY 3 56.617 5.554 -6.530 24 HA2 GLY 3 HA1 GLY 3 56.662 8.357 -6.562 25 HA3 GLY 3 HA2 GLY 3 55.832 7.874 -8.054 26 H ALA 4 HN ALA 4 54.834 5.375 -6.721 27 HA ALA 4 HA ALA 4 52.288 6.387 -5.910 28 HB1 ALA 4 HB1 ALA 4 52.598 4.117 -6.761 29 HB2 ALA 4 HB2 ALA 4 51.873 4.069 -5.136 30 HB3 ALA 4 HB3 ALA 4 53.602 3.705 -5.350 31 H LEU 5 HN LEU 5 54.928 4.928 -3.949 32 HA LEU 5 HA LEU 5 53.619 5.623 -1.446 33 HB2 LEU 5 HB2 LEU 5 56.575 5.018 -1.789 34 HB3 LEU 5 HB1 LEU 5 55.526 4.684 -0.390 35 HG LEU 5 HG LEU 5 55.384 3.351 -3.131 36 HD11 LEU 5 HD11 LEU 5 56.059 1.342 -1.918 37 HD12 LEU 5 HD12 LEU 5 56.010 2.218 -0.368 38 HD13 LEU 5 HD13 LEU 5 57.237 2.634 -1.589 39 HD21 LEU 5 HD21 LEU 5 53.592 3.189 -0.672 40 HD22 LEU 5 HD22 LEU 5 53.661 1.882 -1.879 41 HD23 LEU 5 HD23 LEU 5 53.122 3.508 -2.358 42 H ILE 6 HN ILE 6 55.967 7.152 -3.589 43 HA ILE 6 HA ILE 6 56.511 9.308 -1.559 44 HB ILE 6 HB ILE 6 57.515 9.578 -4.418 45 HG12 ILE 6 HG12 ILE 6 57.730 7.112 -4.024 46 HG13 ILE 6 HG11 ILE 6 59.294 7.934 -4.163 47 HG21 ILE 6 HG21 ILE 6 58.244 11.173 -2.723 48 HG22 ILE 6 HG22 ILE 6 59.629 10.157 -3.181 49 HG23 ILE 6 HG23 ILE 6 58.777 9.861 -1.649 50 HD11 ILE 6 HD1 ILE 6 58.053 7.506 -1.423 51 HD12 ILE 6 HD2 ILE 6 59.762 7.735 -1.859 52 HD13 ILE 6 HD3 ILE 6 58.950 6.196 -2.223 53 H LYS 7 HN LYS 7 56.844 11.303 -3.789 54 HA LYS 7 HA LYS 7 55.526 13.149 -4.269 55 HB2 LYS 7 HB2 LYS 7 53.206 11.197 -4.642 56 HB3 LYS 7 HB1 LYS 7 53.341 12.832 -5.331 57 HG2 LYS 7 HG2 LYS 7 55.216 10.513 -5.983 58 HG3 LYS 7 HG1 LYS 7 53.836 11.009 -6.992 59 HD2 LYS 7 HD2 LYS 7 54.921 13.368 -7.005 60 HD3 LYS 7 HD1 LYS 7 56.378 12.564 -6.375 61 HE2 LYS 7 HE2 LYS 7 56.313 10.998 -8.332 62 HE3 LYS 7 HE1 LYS 7 54.937 11.921 -8.983 63 HZ1 LYS 7 HZ1 LYS 7 57.596 13.095 -8.338 64 HZ2 LYS 7 HZ2 LYS 7 56.296 13.873 -9.105 65 HZ3 LYS 7 HZ3 LYS 7 57.117 12.609 -9.890 66 H GLY 8 HN GLY 8 55.950 11.670 -2.040 67 HA2 GLY 8 HA1 GLY 8 55.594 11.304 0.087 68 HA3 GLY 8 HA2 GLY 8 55.036 13.023 0.140 69 H ALA 9 HN ALA 9 53.928 9.766 -0.771 70 HA ALA 9 HA ALA 9 51.993 8.634 -0.261 71 HB1 ALA 9 HB1 ALA 9 50.808 9.113 1.712 72 HB2 ALA 9 HB2 ALA 9 51.123 10.860 1.604 73 HB3 ALA 9 HB3 ALA 9 52.434 9.745 2.054 74 H ILE 10 HN ILE 10 51.602 9.244 -2.513 75 HA ILE 10 HA ILE 10 50.067 9.915 -4.135 76 HB ILE 10 HB ILE 10 48.253 11.013 -1.931 77 HG12 ILE 10 HG12 ILE 10 48.723 8.132 -2.782 78 HG13 ILE 10 HG11 ILE 10 48.798 8.825 -1.148 79 HG21 ILE 10 HG21 ILE 10 47.837 11.338 -4.466 80 HG22 ILE 10 HG22 ILE 10 46.512 10.673 -3.493 81 HG23 ILE 10 HG23 ILE 10 47.500 9.595 -4.506 82 HD11 ILE 10 HD1 ILE 10 46.697 7.696 -1.242 83 HD12 ILE 10 HD2 ILE 10 46.334 8.346 -2.858 84 HD13 ILE 10 HD3 ILE 10 46.312 9.423 -1.441 85 H HIS 11 HN HIS 11 48.286 12.392 -3.059 86 HA HIS 11 HA HIS 11 50.239 14.420 -4.038 87 HB2 HIS 11 HB2 HIS 11 47.323 14.765 -3.201 88 HB3 HIS 11 HB1 HIS 11 48.322 15.904 -4.136 89 HD1 HIS 11 HD1 HIS 11 45.593 14.004 -4.865 90 HD2 HIS 11 HD2 HIS 11 49.481 13.946 -6.466 91 HE1 HIS 11 HE1 HIS 11 45.460 12.871 -7.152 92 H GLY 12 HN GLY 12 49.932 12.701 -1.426 93 HA2 GLY 12 HA1 GLY 12 50.519 13.085 0.789 94 HA3 GLY 12 HA2 GLY 12 51.012 14.729 0.342 95 H GLY 13 HN GLY 13 48.069 12.741 0.830 96 HA2 GLY 13 HA1 GLY 13 46.176 13.202 2.080 97 HA3 GLY 13 HA2 GLY 13 47.044 14.562 2.814 98 H ARG 14 HN ARG 14 47.516 15.487 -0.139 99 HA ARG 14 HA ARG 14 45.286 17.331 -0.114 100 HB2 ARG 14 HB2 ARG 14 47.815 17.320 -1.228 101 HB3 ARG 14 HB1 ARG 14 46.824 17.027 -2.669 102 HG2 ARG 14 HG2 ARG 14 46.429 19.324 -0.687 103 HG3 ARG 14 HG1 ARG 14 47.222 19.459 -2.271 104 HD2 ARG 14 HD2 ARG 14 44.309 18.770 -1.709 105 HD3 ARG 14 HD1 ARG 14 44.948 20.188 -2.571 106 HE ARG 14 HE ARG 14 45.855 17.902 -3.973 107 HH11 ARG 14 HH11 ARG 14 43.560 20.283 -4.121 108 HH12 ARG 14 HH12 ARG 14 42.411 19.392 -5.065 109 HH21 ARG 14 HH21 ARG 14 44.094 16.377 -4.752 110 HH22 ARG 14 HH22 ARG 14 42.713 17.182 -5.421 111 H PHE 15 HN PHE 15 45.351 14.125 -0.839 112 HA PHE 15 HA PHE 15 44.002 13.893 -3.325 113 HB2 PHE 15 HB2 PHE 15 44.906 11.985 -1.994 114 HB3 PHE 15 HB1 PHE 15 43.578 12.199 -0.828 115 HD1 PHE 15 HD1 PHE 15 44.164 11.813 -4.537 116 HD2 PHE 15 HD2 PHE 15 41.569 10.994 -1.183 117 HE1 PHE 15 HE1 PHE 15 42.679 10.462 -6.012 118 HE2 PHE 15 HE2 PHE 15 40.087 9.645 -2.660 119 HZ PHE 15 HZ PHE 15 40.679 9.323 -5.059 120 H ILE 16 HN ILE 16 42.989 15.274 -0.352 121 HA ILE 16 HA ILE 16 40.274 15.723 -1.490 122 HB ILE 16 HB ILE 16 40.417 14.910 1.437 123 HG12 ILE 16 HG12 ILE 16 40.302 12.997 -0.942 124 HG13 ILE 16 HG11 ILE 16 41.584 13.075 0.289 125 HG21 ILE 16 HG21 ILE 16 38.271 14.328 -0.641 126 HG22 ILE 16 HG22 ILE 16 38.368 15.899 0.184 127 HG23 ILE 16 HG23 ILE 16 38.108 14.415 1.129 128 HD11 ILE 16 HD1 ILE 16 38.699 12.189 0.637 129 HD12 ILE 16 HD2 ILE 16 39.733 12.622 2.019 130 HD13 ILE 16 HD3 ILE 16 40.185 11.268 0.960 131 H HIS 17 HN HIS 17 41.603 16.212 1.841 132 HA HIS 17 HA HIS 17 42.234 19.018 1.226 133 HB2 HIS 17 HB2 HIS 17 40.473 19.456 3.409 134 HB3 HIS 17 HB1 HIS 17 40.217 19.957 1.728 135 HD1 HIS 17 HD1 HIS 17 39.818 16.645 3.675 136 HD2 HIS 17 HD2 HIS 17 37.821 19.016 0.835 137 HE1 HIS 17 HE1 HIS 17 37.556 15.545 3.211 138 H GLY 18 HN GLY 18 43.327 16.479 2.304 139 HA2 GLY 18 HA1 GLY 18 45.374 17.010 3.829 140 HA3 GLY 18 HA2 GLY 18 44.125 17.308 5.064 141 H MET 19 HN MET 19 42.284 15.543 4.614 142 HA MET 19 HA MET 19 42.755 12.976 3.943 143 HB2 MET 19 HB2 MET 19 44.386 13.501 6.289 144 HB3 MET 19 HB1 MET 19 43.117 12.346 6.729 145 HG2 MET 19 HG2 MET 19 43.779 10.909 4.808 146 HG3 MET 19 HG1 MET 19 45.066 12.067 4.396 147 HE1 MET 19 HE1 MET 19 46.705 8.788 5.962 148 HE2 MET 19 HE2 MET 19 46.533 9.781 4.493 149 HE3 MET 19 HE3 MET 19 45.136 8.874 5.124 150 H ILE 20 HN ILE 20 40.661 13.446 3.382 151 HA ILE 20 HA ILE 20 38.359 13.390 3.761 152 HB ILE 20 HB ILE 20 38.840 12.349 6.591 153 HG12 ILE 20 HG12 ILE 20 38.950 10.774 3.973 154 HG13 ILE 20 HG11 ILE 20 40.281 10.985 5.132 155 HG21 ILE 20 HG21 ILE 20 36.507 12.961 5.617 156 HG22 ILE 20 HG22 ILE 20 36.688 11.352 6.345 157 HG23 ILE 20 HG23 ILE 20 36.706 11.535 4.575 158 HD11 ILE 20 HD1 ILE 20 37.714 9.405 5.478 159 HD12 ILE 20 HD2 ILE 20 38.691 9.911 6.878 160 HD13 ILE 20 HD3 ILE 20 39.393 8.842 5.641 161 H GLN 21 HN GLN 21 40.482 15.281 4.617 162 HA GLN 21 HA GLN 21 40.248 17.581 5.195 163 HB2 GLN 21 HB2 GLN 21 37.647 17.164 5.465 164 HB3 GLN 21 HB1 GLN 21 38.030 16.958 7.190 165 HG2 GLN 21 HG2 GLN 21 39.223 19.197 7.103 166 HG3 GLN 21 HG1 GLN 21 38.576 19.406 5.458 167 HE21 GLN 21 HE21 GLN 21 36.036 18.938 5.354 168 HE22 GLN 21 HE22 GLN 21 35.106 19.662 6.671 169 H ASN 22 HN ASN 22 41.634 15.269 6.068 170 HA ASN 22 HA ASN 22 42.931 14.453 7.780 171 HB2 ASN 22 HB2 ASN 22 44.151 16.446 7.264 172 HB3 ASN 22 HB1 ASN 22 43.092 17.433 8.313 173 HD21 ASN 22 HD21 ASN 22 44.723 14.211 8.794 174 HD22 ASN 22 HD22 ASN 22 45.521 14.688 10.297 175 H HIS 23 HN HIS 23 40.444 13.942 8.274 176 HA HIS 23 HA HIS 23 39.238 14.970 10.617 177 HB2 HIS 23 HB2 HIS 23 38.224 13.310 9.039 178 HB3 HIS 23 HB1 HIS 23 39.275 12.055 9.740 179 HD1 HIS 23 HD1 HIS 23 39.144 12.439 12.680 180 HD2 HIS 23 HD2 HIS 23 35.767 13.103 10.264 181 HE1 HIS 23 HE1 HIS 23 37.083 12.202 14.171 182 H HIS 24 HN HIS 24 39.802 15.041 12.684 183 HA HIS 24 HA HIS 24 41.034 14.646 14.613 184 HB2 HIS 24 HB2 HIS 24 39.577 12.608 14.532 185 HB3 HIS 24 HB1 HIS 24 40.887 11.750 13.687 186 HD1 HIS 24 HD1 HIS 24 43.279 11.705 15.031 187 HD2 HIS 24 HD2 HIS 24 39.865 12.650 17.297 188 HE1 HIS 24 HE1 HIS 24 43.872 11.340 17.490 Start of MODEL 42 1 H1 PHE 1 HT1 PHE 1 60.357 5.813 8.439 2 H2 PHE 1 HT2 PHE 1 58.901 6.520 7.918 3 H3 PHE 1 HT3 PHE 1 60.350 6.835 7.086 4 HA PHE 1 HA PHE 1 60.500 4.443 6.575 5 HB2 PHE 1 HB2 PHE 1 57.594 4.480 7.472 6 HB3 PHE 1 HB1 PHE 1 58.508 3.091 6.836 7 HD1 PHE 1 HD1 PHE 1 60.239 1.984 8.189 8 HD2 PHE 1 HD2 PHE 1 57.987 5.323 9.741 9 HE1 PHE 1 HE1 PHE 1 61.036 1.453 10.489 10 HE2 PHE 1 HE2 PHE 1 58.784 4.792 12.040 11 HZ PHE 1 HZ PHE 1 60.375 2.907 12.400 12 H LEU 2 HN LEU 2 57.267 5.994 6.307 13 HA LEU 2 HA LEU 2 56.071 6.597 4.406 14 HB2 LEU 2 HB2 LEU 2 58.877 7.589 3.800 15 HB3 LEU 2 HB1 LEU 2 57.539 7.863 2.660 16 HG LEU 2 HG LEU 2 56.244 9.003 4.425 17 HD11 LEU 2 HD11 LEU 2 56.928 7.949 6.450 18 HD12 LEU 2 HD12 LEU 2 57.580 9.598 6.569 19 HD13 LEU 2 HD13 LEU 2 58.652 8.247 6.126 20 HD21 LEU 2 HD21 LEU 2 57.681 11.009 4.629 21 HD22 LEU 2 HD22 LEU 2 57.805 10.307 2.998 22 HD23 LEU 2 HD23 LEU 2 59.106 10.042 4.184 23 H GLY 3 HN GLY 3 56.504 3.931 4.429 24 HA2 GLY 3 HA1 GLY 3 57.886 2.861 2.179 25 HA3 GLY 3 HA2 GLY 3 56.550 2.079 3.047 26 H ALA 4 HN ALA 4 55.153 4.853 2.266 27 HA ALA 4 HA ALA 4 53.604 3.720 0.129 28 HB1 ALA 4 HB1 ALA 4 53.876 6.665 0.805 29 HB2 ALA 4 HB2 ALA 4 52.892 5.526 1.757 30 HB3 ALA 4 HB3 ALA 4 52.491 5.838 0.051 31 H LEU 5 HN LEU 5 53.239 5.235 -1.920 32 HA LEU 5 HA LEU 5 55.750 5.031 -3.422 33 HB2 LEU 5 HB2 LEU 5 52.905 5.856 -4.094 34 HB3 LEU 5 HB1 LEU 5 54.224 6.032 -5.275 35 HG LEU 5 HG LEU 5 54.710 3.639 -5.160 36 HD11 LEU 5 HD11 LEU 5 54.288 3.041 -2.896 37 HD12 LEU 5 HD12 LEU 5 53.024 2.191 -3.812 38 HD13 LEU 5 HD13 LEU 5 52.632 3.692 -2.938 39 HD21 LEU 5 HD21 LEU 5 52.845 4.520 -6.641 40 HD22 LEU 5 HD22 LEU 5 51.693 4.025 -5.377 41 HD23 LEU 5 HD23 LEU 5 52.687 2.802 -6.205 42 H ILE 6 HN ILE 6 55.586 6.974 -1.170 43 HA ILE 6 HA ILE 6 55.885 9.286 -0.730 44 HB ILE 6 HB ILE 6 57.930 10.151 -1.841 45 HG12 ILE 6 HG12 ILE 6 57.883 7.622 -3.560 46 HG13 ILE 6 HG11 ILE 6 57.348 9.206 -4.156 47 HG21 ILE 6 HG21 ILE 6 57.981 8.384 -0.010 48 HG22 ILE 6 HG22 ILE 6 59.444 8.473 -1.016 49 HG23 ILE 6 HG23 ILE 6 58.256 7.176 -1.285 50 HD11 ILE 6 HD1 ILE 6 60.129 8.371 -3.266 51 HD12 ILE 6 HD2 ILE 6 59.665 10.083 -3.404 52 HD13 ILE 6 HD3 ILE 6 59.621 9.030 -4.836 53 H LYS 7 HN LYS 7 57.015 11.106 -2.965 54 HA LYS 7 HA LYS 7 55.944 12.888 -4.018 55 HB2 LYS 7 HB2 LYS 7 55.292 10.987 -5.694 56 HB3 LYS 7 HB1 LYS 7 53.729 10.953 -4.842 57 HG2 LYS 7 HG2 LYS 7 53.364 13.329 -5.348 58 HG3 LYS 7 HG1 LYS 7 54.962 13.430 -6.126 59 HD2 LYS 7 HD2 LYS 7 54.181 11.590 -7.713 60 HD3 LYS 7 HD1 LYS 7 52.548 11.812 -7.039 61 HE2 LYS 7 HE2 LYS 7 52.638 14.224 -7.669 62 HE3 LYS 7 HE1 LYS 7 54.240 13.957 -8.397 63 HZ1 LYS 7 HZ1 LYS 7 53.163 12.233 -9.814 64 HZ2 LYS 7 HZ2 LYS 7 52.618 13.815 -10.111 65 HZ3 LYS 7 HZ3 LYS 7 51.656 12.734 -9.220 66 H GLY 8 HN GLY 8 55.708 11.743 -1.578 67 HA2 GLY 8 HA1 GLY 8 54.596 11.466 0.323 68 HA3 GLY 8 HA2 GLY 8 54.282 13.234 0.127 69 H ALA 9 HN ALA 9 53.017 10.076 0.248 70 HA ALA 9 HA ALA 9 50.929 9.158 -0.069 71 HB1 ALA 9 HB1 ALA 9 49.101 10.520 1.006 72 HB2 ALA 9 HB2 ALA 9 50.276 11.846 1.181 73 HB3 ALA 9 HB3 ALA 9 50.548 10.297 2.016 74 H ILE 10 HN ILE 10 51.821 9.996 -2.452 75 HA ILE 10 HA ILE 10 51.261 10.985 -4.492 76 HB ILE 10 HB ILE 10 48.738 10.235 -5.108 77 HG12 ILE 10 HG12 ILE 10 49.412 8.552 -2.642 78 HG13 ILE 10 HG11 ILE 10 48.132 9.778 -2.724 79 HG21 ILE 10 HG21 ILE 10 49.591 8.047 -5.741 80 HG22 ILE 10 HG22 ILE 10 50.894 8.151 -4.532 81 HG23 ILE 10 HG23 ILE 10 50.903 9.225 -5.952 82 HD11 ILE 10 HD1 ILE 10 48.263 7.073 -4.075 83 HD12 ILE 10 HD2 ILE 10 47.290 8.373 -4.807 84 HD13 ILE 10 HD3 ILE 10 46.929 7.809 -3.159 85 H HIS 11 HN HIS 11 47.885 11.253 -3.599 86 HA HIS 11 HA HIS 11 47.558 13.854 -4.517 87 HB2 HIS 11 HB2 HIS 11 45.537 13.957 -3.137 88 HB3 HIS 11 HB1 HIS 11 45.706 12.345 -3.870 89 HD1 HIS 11 HD1 HIS 11 46.061 10.337 -2.327 90 HD2 HIS 11 HD2 HIS 11 46.257 14.016 -0.302 91 HE1 HIS 11 HE1 HIS 11 46.051 9.829 0.177 92 H GLY 12 HN GLY 12 49.399 12.880 -1.775 93 HA2 GLY 12 HA1 GLY 12 48.998 15.410 -0.301 94 HA3 GLY 12 HA2 GLY 12 50.134 14.108 0.098 95 H GLY 13 HN GLY 13 50.141 15.047 -3.172 96 HA2 GLY 13 HA1 GLY 13 52.004 17.260 -2.976 97 HA3 GLY 13 HA2 GLY 13 52.827 15.728 -3.336 98 H ARG 14 HN ARG 14 50.001 15.046 -4.598 99 HA ARG 14 HA ARG 14 50.766 16.073 -7.310 100 HB2 ARG 14 HB2 ARG 14 50.383 13.555 -6.652 101 HB3 ARG 14 HB1 ARG 14 48.657 13.961 -6.736 102 HG2 ARG 14 HG2 ARG 14 50.658 14.453 -8.997 103 HG3 ARG 14 HG1 ARG 14 49.594 13.036 -8.887 104 HD2 ARG 14 HD2 ARG 14 47.648 14.775 -8.700 105 HD3 ARG 14 HD1 ARG 14 48.838 15.937 -9.331 106 HE ARG 14 HE ARG 14 48.994 13.773 -11.075 107 HH11 ARG 14 HH11 ARG 14 46.459 15.719 -9.786 108 HH12 ARG 14 HH12 ARG 14 45.519 15.692 -11.241 109 HH21 ARG 14 HH21 ARG 14 47.816 13.785 -13.005 110 HH22 ARG 14 HH22 ARG 14 46.287 14.597 -13.064 111 H PHE 15 HN PHE 15 47.782 15.434 -5.391 112 HA PHE 15 HA PHE 15 46.032 16.946 -7.035 113 HB2 PHE 15 HB2 PHE 15 45.229 15.381 -5.337 114 HB3 PHE 15 HB1 PHE 15 45.914 16.391 -4.044 115 HD1 PHE 15 HD1 PHE 15 43.672 16.771 -7.067 116 HD2 PHE 15 HD2 PHE 15 44.423 17.865 -2.956 117 HE1 PHE 15 HE1 PHE 15 41.578 18.121 -7.040 118 HE2 PHE 15 HE2 PHE 15 42.330 19.212 -2.934 119 HZ PHE 15 HZ PHE 15 40.934 19.381 -4.991 120 H ILE 16 HN ILE 16 46.504 18.966 -7.660 121 HA ILE 16 HA ILE 16 47.356 21.156 -7.485 122 HB ILE 16 HB ILE 16 45.872 22.568 -5.995 123 HG12 ILE 16 HG12 ILE 16 44.502 19.889 -5.455 124 HG13 ILE 16 HG11 ILE 16 45.543 20.713 -4.276 125 HG21 ILE 16 HG21 ILE 16 44.400 20.539 -7.737 126 HG22 ILE 16 HG22 ILE 16 45.320 21.924 -8.372 127 HG23 ILE 16 HG23 ILE 16 43.885 22.200 -7.364 128 HD11 ILE 16 HD1 ILE 16 43.960 22.772 -4.655 129 HD12 ILE 16 HD2 ILE 16 43.369 21.417 -3.666 130 HD13 ILE 16 HD3 ILE 16 42.841 21.578 -5.355 131 H HIS 17 HN HIS 17 49.277 19.869 -6.374 132 HA HIS 17 HA HIS 17 50.062 21.588 -4.080 133 HB2 HIS 17 HB2 HIS 17 49.060 19.499 -3.090 134 HB3 HIS 17 HB1 HIS 17 50.287 18.555 -3.963 135 HD1 HIS 17 HD1 HIS 17 52.894 19.462 -3.483 136 HD2 HIS 17 HD2 HIS 17 49.943 20.281 -0.599 137 HE1 HIS 17 HE1 HIS 17 54.098 20.032 -1.302 138 H GLY 18 HN GLY 18 50.703 19.288 -6.665 139 HA2 GLY 18 HA1 GLY 18 53.482 19.048 -6.626 140 HA3 GLY 18 HA2 GLY 18 52.523 19.230 -8.118 141 H MET 19 HN MET 19 51.461 21.741 -7.501 142 HA MET 19 HA MET 19 52.795 23.906 -6.896 143 HB2 MET 19 HB2 MET 19 54.316 22.708 -9.164 144 HB3 MET 19 HB1 MET 19 54.108 24.463 -9.172 145 HG2 MET 19 HG2 MET 19 55.530 24.798 -7.380 146 HG3 MET 19 HG1 MET 19 55.039 23.307 -6.553 147 HE1 MET 19 HE1 MET 19 57.670 23.222 -5.935 148 HE2 MET 19 HE2 MET 19 57.945 24.648 -6.966 149 HE3 MET 19 HE3 MET 19 58.961 23.200 -7.161 150 H ILE 20 HN ILE 20 50.429 22.466 -8.056 151 HA ILE 20 HA ILE 20 48.587 23.086 -9.307 152 HB ILE 20 HB ILE 20 49.772 25.890 -8.936 153 HG12 ILE 20 HG12 ILE 20 47.790 26.178 -7.485 154 HG13 ILE 20 HG11 ILE 20 47.265 24.521 -7.862 155 HG21 ILE 20 HG21 ILE 20 47.317 24.977 -10.479 156 HG22 ILE 20 HG22 ILE 20 48.623 26.058 -11.021 157 HG23 ILE 20 HG23 ILE 20 47.453 26.620 -9.806 158 HD11 ILE 20 HD1 ILE 20 50.024 25.036 -6.695 159 HD12 ILE 20 HD2 ILE 20 49.051 23.545 -6.654 160 HD13 ILE 20 HD3 ILE 20 48.594 24.932 -5.641 161 H GLN 21 HN GLN 21 51.824 23.320 -10.017 162 HA GLN 21 HA GLN 21 51.334 23.688 -13.002 163 HB2 GLN 21 HB2 GLN 21 53.004 25.182 -11.688 164 HB3 GLN 21 HB1 GLN 21 54.027 23.733 -11.586 165 HG2 GLN 21 HG2 GLN 21 52.950 24.892 -14.201 166 HG3 GLN 21 HG1 GLN 21 54.570 25.223 -13.548 167 HE21 GLN 21 HE21 GLN 21 53.555 23.631 -16.035 168 HE22 GLN 21 HE22 GLN 21 54.407 22.090 -15.886 169 H ASN 22 HN ASN 22 52.873 21.621 -10.479 170 HA ASN 22 HA ASN 22 53.518 19.588 -12.570 171 HB2 ASN 22 HB2 ASN 22 54.164 19.947 -9.627 172 HB3 ASN 22 HB1 ASN 22 54.364 18.361 -10.407 173 HD21 ASN 22 HD21 ASN 22 56.569 18.124 -10.816 174 HD22 ASN 22 HD22 ASN 22 57.574 19.367 -11.569 175 H HIS 23 HN HIS 23 51.185 20.454 -10.140 176 HA HIS 23 HA HIS 23 50.021 17.975 -9.497 177 HB2 HIS 23 HB2 HIS 23 49.114 19.851 -8.396 178 HB3 HIS 23 HB1 HIS 23 48.926 20.767 -9.905 179 HD1 HIS 23 HD1 HIS 23 47.632 17.255 -8.982 180 HD2 HIS 23 HD2 HIS 23 46.217 20.964 -10.346 181 HE1 HIS 23 HE1 HIS 23 45.112 17.030 -9.322 182 H HIS 24 HN HIS 24 49.619 19.977 -12.424 183 HA HIS 24 HA HIS 24 48.544 19.521 -14.436 184 HB2 HIS 24 HB2 HIS 24 49.724 16.801 -13.761 185 HB3 HIS 24 HB1 HIS 24 49.026 17.215 -15.344 186 HD1 HIS 24 HD1 HIS 24 50.066 20.100 -15.689 187 HD2 HIS 24 HD2 HIS 24 52.450 16.932 -14.285 188 HE1 HIS 24 HE1 HIS 24 52.501 20.713 -16.159 Start of MODEL 43 1 H1 PHE 1 HT1 PHE 1 48.711 -0.113 -2.373 2 H2 PHE 1 HT2 PHE 1 50.055 -1.059 -1.942 3 H3 PHE 1 HT3 PHE 1 48.501 -1.745 -1.972 4 HA PHE 1 HA PHE 1 50.097 -2.194 -3.888 5 HB2 PHE 1 HB2 PHE 1 47.661 -2.793 -3.752 6 HB3 PHE 1 HB1 PHE 1 47.277 -1.203 -4.454 7 HD1 PHE 1 HD1 PHE 1 49.186 -4.375 -5.062 8 HD2 PHE 1 HD2 PHE 1 47.434 -0.840 -6.814 9 HE1 PHE 1 HE1 PHE 1 49.615 -5.290 -7.339 10 HE2 PHE 1 HE2 PHE 1 47.862 -1.756 -9.090 11 HZ PHE 1 HZ PHE 1 48.884 -4.015 -9.350 12 H LEU 2 HN LEU 2 50.041 0.849 -2.934 13 HA LEU 2 HA LEU 2 49.893 2.270 -5.490 14 HB2 LEU 2 HB2 LEU 2 51.232 3.274 -2.955 15 HB3 LEU 2 HB1 LEU 2 50.430 4.213 -4.238 16 HG LEU 2 HG LEU 2 49.073 2.308 -2.278 17 HD11 LEU 2 HD11 LEU 2 48.002 4.386 -1.451 18 HD12 LEU 2 HD12 LEU 2 48.957 5.339 -2.612 19 HD13 LEU 2 HD13 LEU 2 49.773 4.467 -1.293 20 HD21 LEU 2 HD21 LEU 2 46.972 3.367 -3.356 21 HD22 LEU 2 HD22 LEU 2 47.845 2.166 -4.333 22 HD23 LEU 2 HD23 LEU 2 48.050 3.903 -4.667 23 H GLY 3 HN GLY 3 51.751 -0.058 -5.260 24 HA2 GLY 3 HA1 GLY 3 53.901 -0.596 -5.915 25 HA3 GLY 3 HA2 GLY 3 53.887 0.945 -6.796 26 H ALA 4 HN ALA 4 54.847 2.770 -5.923 27 HA ALA 4 HA ALA 4 56.964 2.193 -3.979 28 HB1 ALA 4 HB1 ALA 4 56.148 4.890 -5.102 29 HB2 ALA 4 HB2 ALA 4 57.150 3.725 -6.000 30 HB3 ALA 4 HB3 ALA 4 57.734 4.403 -4.461 31 H LEU 5 HN LEU 5 56.661 5.126 -3.061 32 HA LEU 5 HA LEU 5 54.293 5.145 -1.385 33 HB2 LEU 5 HB2 LEU 5 55.489 5.008 0.797 34 HB3 LEU 5 HB1 LEU 5 55.482 3.471 -0.087 35 HG LEU 5 HG LEU 5 57.813 5.443 -0.258 36 HD11 LEU 5 HD11 LEU 5 57.477 3.089 1.654 37 HD12 LEU 5 HD12 LEU 5 57.450 4.810 2.110 38 HD13 LEU 5 HD13 LEU 5 58.942 4.084 1.468 39 HD21 LEU 5 HD21 LEU 5 58.975 3.071 -0.674 40 HD22 LEU 5 HD22 LEU 5 58.124 3.882 -1.998 41 HD23 LEU 5 HD23 LEU 5 57.329 2.563 -1.111 42 H ILE 6 HN ILE 6 55.201 6.951 -3.203 43 HA ILE 6 HA ILE 6 55.852 9.288 -1.406 44 HB ILE 6 HB ILE 6 57.238 9.107 -4.127 45 HG12 ILE 6 HG12 ILE 6 58.234 7.829 -1.538 46 HG13 ILE 6 HG11 ILE 6 57.860 6.989 -3.061 47 HG21 ILE 6 HG21 ILE 6 58.716 10.709 -3.172 48 HG22 ILE 6 HG22 ILE 6 58.247 10.285 -1.507 49 HG23 ILE 6 HG23 ILE 6 57.117 11.176 -2.551 50 HD11 ILE 6 HD1 ILE 6 59.623 8.536 -4.153 51 HD12 ILE 6 HD2 ILE 6 60.228 7.253 -3.078 52 HD13 ILE 6 HD3 ILE 6 60.127 8.930 -2.492 53 H LYS 7 HN LYS 7 56.281 10.771 -4.106 54 HA LYS 7 HA LYS 7 54.827 12.273 -5.138 55 HB2 LYS 7 HB2 LYS 7 53.994 10.046 -6.261 56 HB3 LYS 7 HB1 LYS 7 52.676 10.106 -5.072 57 HG2 LYS 7 HG2 LYS 7 51.712 11.227 -6.905 58 HG3 LYS 7 HG1 LYS 7 52.340 12.582 -5.942 59 HD2 LYS 7 HD2 LYS 7 54.315 12.750 -7.371 60 HD3 LYS 7 HD1 LYS 7 53.856 11.271 -8.249 61 HE2 LYS 7 HE2 LYS 7 51.818 12.363 -9.080 62 HE3 LYS 7 HE1 LYS 7 52.204 13.831 -8.150 63 HZ1 LYS 7 HZ1 LYS 7 52.890 13.582 -10.660 64 HZ2 LYS 7 HZ2 LYS 7 54.230 12.776 -9.996 65 HZ3 LYS 7 HZ3 LYS 7 53.896 14.382 -9.553 66 H GLY 8 HN GLY 8 55.275 11.569 -2.564 67 HA2 GLY 8 HA1 GLY 8 54.646 11.549 -0.427 68 HA3 GLY 8 HA2 GLY 8 54.173 13.249 -0.809 69 H ALA 9 HN ALA 9 53.128 9.932 -0.384 70 HA ALA 9 HA ALA 9 51.057 8.987 -0.015 71 HB1 ALA 9 HB1 ALA 9 49.510 10.351 1.415 72 HB2 ALA 9 HB2 ALA 9 50.618 11.730 1.214 73 HB3 ALA 9 HB3 ALA 9 51.171 10.254 2.041 74 H ILE 10 HN ILE 10 50.963 9.147 -2.451 75 HA ILE 10 HA ILE 10 49.663 9.410 -4.322 76 HB ILE 10 HB ILE 10 47.669 9.980 -2.139 77 HG12 ILE 10 HG12 ILE 10 48.231 7.726 -3.308 78 HG13 ILE 10 HG11 ILE 10 46.524 8.125 -3.032 79 HG21 ILE 10 HG21 ILE 10 47.222 10.973 -4.972 80 HG22 ILE 10 HG22 ILE 10 46.955 11.829 -3.433 81 HG23 ILE 10 HG23 ILE 10 45.876 10.502 -3.910 82 HD11 ILE 10 HD1 ILE 10 46.146 8.635 -5.320 83 HD12 ILE 10 HD2 ILE 10 47.205 7.210 -5.378 84 HD13 ILE 10 HD3 ILE 10 47.879 8.827 -5.665 85 H HIS 11 HN HIS 11 48.782 12.298 -2.358 86 HA HIS 11 HA HIS 11 50.303 14.018 -4.243 87 HB2 HIS 11 HB2 HIS 11 47.992 13.767 -5.219 88 HB3 HIS 11 HB1 HIS 11 47.336 14.453 -3.713 89 HD1 HIS 11 HD1 HIS 11 47.915 16.962 -3.154 90 HD2 HIS 11 HD2 HIS 11 49.103 15.662 -6.972 91 HE1 HIS 11 HE1 HIS 11 48.528 19.038 -4.509 92 H GLY 12 HN GLY 12 49.331 13.071 -1.242 93 HA2 GLY 12 HA1 GLY 12 50.481 14.223 0.638 94 HA3 GLY 12 HA2 GLY 12 49.941 15.773 -0.039 95 H GLY 13 HN GLY 13 47.814 13.012 -0.163 96 HA2 GLY 13 HA1 GLY 13 45.843 12.552 0.957 97 HA3 GLY 13 HA2 GLY 13 46.530 13.371 2.373 98 H ARG 14 HN ARG 14 45.221 14.154 -0.881 99 HA ARG 14 HA ARG 14 43.222 15.923 0.284 100 HB2 ARG 14 HB2 ARG 14 45.504 17.214 0.353 101 HB3 ARG 14 HB1 ARG 14 45.313 17.342 -1.405 102 HG2 ARG 14 HG2 ARG 14 44.365 19.343 -0.430 103 HG3 ARG 14 HG1 ARG 14 43.015 18.349 -1.011 104 HD2 ARG 14 HD2 ARG 14 42.266 17.875 1.151 105 HD3 ARG 14 HD1 ARG 14 43.896 17.973 1.859 106 HE ARG 14 HE ARG 14 43.200 20.573 0.953 107 HH11 ARG 14 HH11 ARG 14 44.109 20.247 3.691 108 HH12 ARG 14 HH12 ARG 14 42.678 20.489 4.636 109 HH21 ARG 14 HH21 ARG 14 40.516 20.004 1.969 110 HH22 ARG 14 HH22 ARG 14 40.644 20.352 3.661 111 H PHE 15 HN PHE 15 44.488 13.976 -2.094 112 HA PHE 15 HA PHE 15 42.930 15.150 -4.346 113 HB2 PHE 15 HB2 PHE 15 45.200 14.034 -4.645 114 HB3 PHE 15 HB1 PHE 15 44.415 12.491 -4.233 115 HD1 PHE 15 HD1 PHE 15 43.500 11.211 -6.003 116 HD2 PHE 15 HD2 PHE 15 43.923 15.481 -6.485 117 HE1 PHE 15 HE1 PHE 15 42.691 11.027 -8.352 118 HE2 PHE 15 HE2 PHE 15 43.117 15.295 -8.835 119 HZ PHE 15 HZ PHE 15 42.562 13.060 -9.787 120 H ILE 16 HN ILE 16 42.924 12.486 -2.047 121 HA ILE 16 HA ILE 16 40.030 12.138 -2.364 122 HB ILE 16 HB ILE 16 40.331 9.583 -2.681 123 HG12 ILE 16 HG12 ILE 16 43.024 10.555 -3.759 124 HG13 ILE 16 HG11 ILE 16 42.801 9.580 -2.291 125 HG21 ILE 16 HG21 ILE 16 40.189 9.750 -5.067 126 HG22 ILE 16 HG22 ILE 16 41.162 11.238 -5.100 127 HG23 ILE 16 HG23 ILE 16 39.507 11.269 -4.446 128 HD11 ILE 16 HD1 ILE 16 42.337 8.784 -5.181 129 HD12 ILE 16 HD2 ILE 16 41.554 7.894 -3.851 130 HD13 ILE 16 HD3 ILE 16 43.328 7.973 -3.948 131 H HIS 17 HN HIS 17 40.824 13.124 -0.224 132 HA HIS 17 HA HIS 17 40.826 10.920 1.766 133 HB2 HIS 17 HB2 HIS 17 43.246 11.421 1.320 134 HB3 HIS 17 HB1 HIS 17 42.949 13.103 1.822 135 HD1 HIS 17 HD1 HIS 17 42.902 13.613 4.297 136 HD2 HIS 17 HD2 HIS 17 42.829 9.488 3.482 137 HE1 HIS 17 HE1 HIS 17 43.130 12.392 6.530 138 H GLY 18 HN GLY 18 40.411 14.267 0.785 139 HA2 GLY 18 HA1 GLY 18 39.757 15.486 3.243 140 HA3 GLY 18 HA2 GLY 18 38.999 15.881 1.673 141 H MET 19 HN MET 19 37.747 13.821 0.914 142 HA MET 19 HA MET 19 36.177 12.367 2.701 143 HB2 MET 19 HB2 MET 19 35.352 14.688 3.364 144 HB3 MET 19 HB1 MET 19 34.690 14.783 1.725 145 HG2 MET 19 HG2 MET 19 33.053 13.146 2.153 146 HG3 MET 19 HG1 MET 19 33.989 12.397 3.467 147 HE1 MET 19 HE1 MET 19 31.720 12.350 4.986 148 HE2 MET 19 HE2 MET 19 31.011 12.936 3.462 149 HE3 MET 19 HE3 MET 19 30.615 13.745 4.997 150 H ILE 20 HN ILE 20 37.557 12.728 0.044 151 HA ILE 20 HA ILE 20 37.189 11.940 -2.100 152 HB ILE 20 HB ILE 20 34.563 10.681 -1.162 153 HG12 ILE 20 HG12 ILE 20 36.128 9.841 0.437 154 HG13 ILE 20 HG11 ILE 20 35.999 8.573 -0.796 155 HG21 ILE 20 HG21 ILE 20 36.496 10.173 -3.455 156 HG22 ILE 20 HG22 ILE 20 34.774 10.593 -3.524 157 HG23 ILE 20 HG23 ILE 20 35.271 8.984 -2.960 158 HD11 ILE 20 HD1 ILE 20 38.342 8.829 -0.307 159 HD12 ILE 20 HD2 ILE 20 38.248 10.599 -0.430 160 HD13 ILE 20 HD3 ILE 20 38.086 9.595 -1.889 161 H GLN 21 HN GLN 21 35.337 13.880 -0.134 162 HA GLN 21 HA GLN 21 33.919 15.109 -2.545 163 HB2 GLN 21 HB2 GLN 21 32.833 14.742 0.275 164 HB3 GLN 21 HB1 GLN 21 32.057 15.705 -1.004 165 HG2 GLN 21 HG2 GLN 21 32.781 12.766 -1.348 166 HG3 GLN 21 HG1 GLN 21 31.194 13.311 -0.757 167 HE21 GLN 21 HE21 GLN 21 31.110 11.897 -3.113 168 HE22 GLN 21 HE22 GLN 21 30.851 12.987 -4.478 169 H ASN 22 HN ASN 22 35.953 15.503 0.290 170 HA ASN 22 HA ASN 22 35.658 18.501 0.069 171 HB2 ASN 22 HB2 ASN 22 36.710 16.696 2.280 172 HB3 ASN 22 HB1 ASN 22 36.932 18.460 2.269 173 HD21 ASN 22 HD21 ASN 22 33.997 17.523 0.715 174 HD22 ASN 22 HD22 ASN 22 32.916 17.842 2.077 175 H HIS 23 HN HIS 23 37.532 15.776 -0.698 176 HA HIS 23 HA HIS 23 40.189 16.425 -0.524 177 HB2 HIS 23 HB2 HIS 23 40.487 15.314 -2.728 178 HB3 HIS 23 HB1 HIS 23 39.362 14.428 -1.674 179 HD1 HIS 23 HD1 HIS 23 36.748 15.899 -2.046 180 HD2 HIS 23 HD2 HIS 23 39.386 15.218 -5.250 181 HE1 HIS 23 HE1 HIS 23 35.375 15.989 -4.198 182 H HIS 24 HN HIS 24 41.029 18.433 -0.630 183 HA HIS 24 HA HIS 24 41.658 20.473 -1.533 184 HB2 HIS 24 HB2 HIS 24 42.565 18.917 -3.296 185 HB3 HIS 24 HB1 HIS 24 41.063 19.170 -4.217 186 HD1 HIS 24 HD1 HIS 24 41.065 21.098 -5.803 187 HD2 HIS 24 HD2 HIS 24 43.959 21.527 -2.781 188 HE1 HIS 24 HE1 HIS 24 42.365 23.244 -6.290 Start of MODEL 44 1 H1 PHE 1 HT1 PHE 1 56.664 -2.960 -8.237 2 H2 PHE 1 HT2 PHE 1 55.935 -1.470 -8.605 3 H3 PHE 1 HT3 PHE 1 55.689 -2.188 -7.085 4 HA PHE 1 HA PHE 1 57.966 -1.916 -6.512 5 HB2 PHE 1 HB2 PHE 1 59.415 -0.567 -8.070 6 HB3 PHE 1 HB1 PHE 1 58.986 -2.180 -8.689 7 HD1 PHE 1 HD1 PHE 1 56.972 -2.381 -10.276 8 HD2 PHE 1 HD2 PHE 1 58.829 1.393 -9.303 9 HE1 PHE 1 HE1 PHE 1 55.935 -1.350 -12.293 10 HE2 PHE 1 HE2 PHE 1 57.791 2.421 -11.320 11 HZ PHE 1 HZ PHE 1 56.292 1.068 -12.777 12 H LEU 2 HN LEU 2 57.213 -0.646 -4.901 13 HA LEU 2 HA LEU 2 56.562 1.294 -3.808 14 HB2 LEU 2 HB2 LEU 2 57.693 2.843 -6.163 15 HB3 LEU 2 HB1 LEU 2 57.641 3.312 -4.447 16 HG LEU 2 HG LEU 2 59.304 1.062 -5.663 17 HD11 LEU 2 HD11 LEU 2 61.207 2.484 -4.914 18 HD12 LEU 2 HD12 LEU 2 60.051 3.724 -4.370 19 HD13 LEU 2 HD13 LEU 2 60.182 3.325 -6.100 20 HD21 LEU 2 HD21 LEU 2 58.813 1.943 -2.787 21 HD22 LEU 2 HD22 LEU 2 60.277 1.048 -3.260 22 HD23 LEU 2 HD23 LEU 2 58.675 0.308 -3.481 23 H GLY 3 HN GLY 3 54.349 1.090 -3.883 24 HA2 GLY 3 HA1 GLY 3 52.835 1.873 -6.250 25 HA3 GLY 3 HA2 GLY 3 52.184 1.457 -4.652 26 H ALA 4 HN ALA 4 54.221 4.026 -6.126 27 HA ALA 4 HA ALA 4 54.157 6.325 -5.831 28 HB1 ALA 4 HB1 ALA 4 51.202 5.875 -5.302 29 HB2 ALA 4 HB2 ALA 4 51.936 5.948 -6.923 30 HB3 ALA 4 HB3 ALA 4 51.979 7.375 -5.860 31 H LEU 5 HN LEU 5 55.094 5.028 -3.628 32 HA LEU 5 HA LEU 5 53.639 5.735 -1.218 33 HB2 LEU 5 HB2 LEU 5 56.471 4.831 -1.830 34 HB3 LEU 5 HB1 LEU 5 56.014 5.329 -0.184 35 HG LEU 5 HG LEU 5 54.262 3.630 -0.101 36 HD11 LEU 5 HD11 LEU 5 53.427 3.570 -2.342 37 HD12 LEU 5 HD12 LEU 5 54.148 1.967 -2.069 38 HD13 LEU 5 HD13 LEU 5 55.031 3.191 -3.014 39 HD21 LEU 5 HD21 LEU 5 56.782 2.375 -1.273 40 HD22 LEU 5 HD22 LEU 5 55.653 1.642 -0.108 41 HD23 LEU 5 HD23 LEU 5 56.675 3.013 0.385 42 H ILE 6 HN ILE 6 56.160 7.276 -3.193 43 HA ILE 6 HA ILE 6 56.364 9.549 -1.236 44 HB ILE 6 HB ILE 6 57.671 9.616 -3.998 45 HG12 ILE 6 HG12 ILE 6 58.554 7.820 -1.690 46 HG13 ILE 6 HG11 ILE 6 58.051 7.293 -3.313 47 HG21 ILE 6 HG21 ILE 6 59.349 10.861 -2.865 48 HG22 ILE 6 HG22 ILE 6 58.886 10.216 -1.270 49 HG23 ILE 6 HG23 ILE 6 57.838 11.394 -2.093 50 HD11 ILE 6 HD1 ILE 6 60.547 8.840 -2.527 51 HD12 ILE 6 HD2 ILE 6 59.968 8.776 -4.211 52 HD13 ILE 6 HD3 ILE 6 60.436 7.277 -3.370 53 H LYS 7 HN LYS 7 56.885 11.406 -3.613 54 HA LYS 7 HA LYS 7 55.547 13.168 -4.364 55 HB2 LYS 7 HB2 LYS 7 53.446 10.988 -4.849 56 HB3 LYS 7 HB1 LYS 7 53.420 12.634 -5.530 57 HG2 LYS 7 HG2 LYS 7 55.344 12.212 -6.894 58 HG3 LYS 7 HG1 LYS 7 55.728 10.710 -6.020 59 HD2 LYS 7 HD2 LYS 7 54.688 10.180 -8.185 60 HD3 LYS 7 HD1 LYS 7 53.609 9.699 -6.855 61 HE2 LYS 7 HE2 LYS 7 53.335 12.437 -8.146 62 HE3 LYS 7 HE1 LYS 7 52.584 11.003 -8.882 63 HZ1 LYS 7 HZ1 LYS 7 50.962 11.120 -7.404 64 HZ2 LYS 7 HZ2 LYS 7 51.653 12.517 -6.728 65 HZ3 LYS 7 HZ3 LYS 7 52.062 10.985 -6.120 66 H GLY 8 HN GLY 8 55.837 11.963 -1.957 67 HA2 GLY 8 HA1 GLY 8 55.128 11.595 0.112 68 HA3 GLY 8 HA2 GLY 8 54.678 13.342 0.031 69 H ALA 9 HN ALA 9 53.599 10.013 -0.275 70 HA ALA 9 HA ALA 9 51.528 9.032 -0.071 71 HB1 ALA 9 HB1 ALA 9 51.595 10.368 2.079 72 HB2 ALA 9 HB2 ALA 9 49.965 9.989 1.473 73 HB3 ALA 9 HB3 ALA 9 50.643 11.619 1.245 74 H ILE 10 HN ILE 10 51.787 9.603 -2.514 75 HA ILE 10 HA ILE 10 50.690 10.060 -4.469 76 HB ILE 10 HB ILE 10 48.443 9.962 -2.498 77 HG12 ILE 10 HG12 ILE 10 49.343 8.123 -4.092 78 HG13 ILE 10 HG11 ILE 10 47.583 8.301 -3.938 79 HG21 ILE 10 HG21 ILE 10 48.095 11.550 -5.067 80 HG22 ILE 10 HG22 ILE 10 47.650 12.013 -3.406 81 HG23 ILE 10 HG23 ILE 10 46.742 10.738 -4.245 82 HD11 ILE 10 HD1 ILE 10 49.124 9.724 -6.144 83 HD12 ILE 10 HD2 ILE 10 47.386 9.363 -6.059 84 HD13 ILE 10 HD3 ILE 10 48.556 8.051 -6.331 85 H HIS 11 HN HIS 11 49.339 12.489 -2.170 86 HA HIS 11 HA HIS 11 50.781 14.628 -3.653 87 HB2 HIS 11 HB2 HIS 11 47.752 14.442 -3.371 88 HB3 HIS 11 HB1 HIS 11 48.613 15.950 -3.765 89 HD1 HIS 11 HD1 HIS 11 46.768 13.546 -5.483 90 HD2 HIS 11 HD2 HIS 11 50.617 15.127 -6.092 91 HE1 HIS 11 HE1 HIS 11 47.407 13.084 -7.914 92 H GLY 12 HN GLY 12 49.733 13.127 -0.885 93 HA2 GLY 12 HA1 GLY 12 50.876 14.372 1.111 94 HA3 GLY 12 HA2 GLY 12 49.692 15.646 0.750 95 H GLY 13 HN GLY 13 48.577 12.502 0.040 96 HA2 GLY 13 HA1 GLY 13 47.042 11.127 1.087 97 HA3 GLY 13 HA2 GLY 13 47.682 11.696 2.643 98 H ARG 14 HN ARG 14 45.642 12.803 -0.099 99 HA ARG 14 HA ARG 14 43.485 13.503 1.727 100 HB2 ARG 14 HB2 ARG 14 45.378 15.405 1.771 101 HB3 ARG 14 HB1 ARG 14 44.576 15.923 0.275 102 HG2 ARG 14 HG2 ARG 14 43.289 15.577 3.023 103 HG3 ARG 14 HG1 ARG 14 43.577 17.107 2.162 104 HD2 ARG 14 HD2 ARG 14 42.105 16.066 0.266 105 HD3 ARG 14 HD1 ARG 14 41.581 14.915 1.519 106 HE ARG 14 HE ARG 14 40.280 16.650 2.431 107 HH11 ARG 14 HH11 ARG 14 41.069 17.978 -0.357 108 HH12 ARG 14 HH12 ARG 14 41.366 19.591 0.197 109 HH21 ARG 14 HH21 ARG 14 41.440 18.710 3.550 110 HH22 ARG 14 HH22 ARG 14 41.577 20.006 2.408 111 H PHE 15 HN PHE 15 44.968 14.128 -1.487 112 HA PHE 15 HA PHE 15 42.625 14.724 -2.922 113 HB2 PHE 15 HB2 PHE 15 45.189 13.285 -3.676 114 HB3 PHE 15 HB1 PHE 15 43.893 13.518 -4.872 115 HD1 PHE 15 HD1 PHE 15 43.832 15.541 -6.103 116 HD2 PHE 15 HD2 PHE 15 45.888 15.448 -2.305 117 HE1 PHE 15 HE1 PHE 15 44.605 17.880 -6.461 118 HE2 PHE 15 HE2 PHE 15 46.660 17.785 -2.668 119 HZ PHE 15 HZ PHE 15 45.975 19.020 -4.721 120 H ILE 16 HN ILE 16 43.933 11.538 -1.973 121 HA ILE 16 HA ILE 16 41.237 10.383 -2.242 122 HB ILE 16 HB ILE 16 42.084 8.484 -3.711 123 HG12 ILE 16 HG12 ILE 16 44.347 10.487 -4.185 124 HG13 ILE 16 HG11 ILE 16 44.513 8.881 -3.446 125 HG21 ILE 16 HG21 ILE 16 40.689 10.515 -4.494 126 HG22 ILE 16 HG22 ILE 16 41.581 9.632 -5.750 127 HG23 ILE 16 HG23 ILE 16 42.212 11.176 -5.132 128 HD11 ILE 16 HD1 ILE 16 43.869 9.580 -6.327 129 HD12 ILE 16 HD2 ILE 16 43.470 7.977 -5.661 130 HD13 ILE 16 HD3 ILE 16 45.161 8.532 -5.698 131 H HIS 17 HN HIS 17 42.238 10.664 0.065 132 HA HIS 17 HA HIS 17 42.778 7.960 0.988 133 HB2 HIS 17 HB2 HIS 17 45.070 8.734 0.197 134 HB3 HIS 17 HB1 HIS 17 44.988 10.001 1.443 135 HD1 HIS 17 HD1 HIS 17 44.660 6.175 1.182 136 HD2 HIS 17 HD2 HIS 17 45.980 9.131 3.863 137 HE1 HIS 17 HE1 HIS 17 45.585 4.978 3.242 138 H GLY 18 HN GLY 18 42.012 11.229 1.250 139 HA2 GLY 18 HA1 GLY 18 40.996 10.843 4.016 140 HA3 GLY 18 HA2 GLY 18 42.104 12.204 3.721 141 H MET 19 HN MET 19 39.502 10.695 1.826 142 HA MET 19 HA MET 19 37.555 12.803 2.099 143 HB2 MET 19 HB2 MET 19 39.286 13.977 0.879 144 HB3 MET 19 HB1 MET 19 39.215 12.736 -0.361 145 HG2 MET 19 HG2 MET 19 36.879 13.323 -0.865 146 HG3 MET 19 HG1 MET 19 36.876 14.505 0.464 147 HE1 MET 19 HE1 MET 19 36.172 16.480 -0.732 148 HE2 MET 19 HE2 MET 19 35.886 15.533 -2.211 149 HE3 MET 19 HE3 MET 19 36.783 17.067 -2.297 150 H ILE 20 HN ILE 20 38.989 10.769 -0.515 151 HA ILE 20 HA ILE 20 36.349 9.678 -1.209 152 HB ILE 20 HB ILE 20 39.226 8.838 -1.836 153 HG12 ILE 20 HG12 ILE 20 38.625 9.439 -4.108 154 HG13 ILE 20 HG11 ILE 20 36.909 9.591 -3.672 155 HG21 ILE 20 HG21 ILE 20 38.071 6.734 -1.626 156 HG22 ILE 20 HG22 ILE 20 38.111 7.104 -3.366 157 HG23 ILE 20 HG23 ILE 20 36.620 7.376 -2.432 158 HD11 ILE 20 HD1 ILE 20 37.293 11.570 -2.392 159 HD12 ILE 20 HD2 ILE 20 38.250 11.790 -3.878 160 HD13 ILE 20 HD3 ILE 20 39.054 11.309 -2.365 161 H GLN 21 HN GLN 21 38.450 9.731 1.279 162 HA GLN 21 HA GLN 21 37.411 7.245 2.556 163 HB2 GLN 21 HB2 GLN 21 40.128 8.605 2.793 164 HB3 GLN 21 HB1 GLN 21 39.538 7.362 3.922 165 HG2 GLN 21 HG2 GLN 21 39.210 5.819 1.956 166 HG3 GLN 21 HG1 GLN 21 39.980 7.046 0.922 167 HE21 GLN 21 HE21 GLN 21 41.709 5.371 0.517 168 HE22 GLN 21 HE22 GLN 21 42.972 5.162 1.735 169 H ASN 22 HN ASN 22 37.994 10.852 2.572 170 HA ASN 22 HA ASN 22 36.725 10.791 5.376 171 HB2 ASN 22 HB2 ASN 22 39.112 11.803 5.056 172 HB3 ASN 22 HB1 ASN 22 38.262 13.165 4.298 173 HD21 ASN 22 HD21 ASN 22 35.877 12.346 6.242 174 HD22 ASN 22 HD22 ASN 22 36.344 13.159 7.739 175 H HIS 23 HN HIS 23 35.435 10.735 2.643 176 HA HIS 23 HA HIS 23 33.416 12.768 3.279 177 HB2 HIS 23 HB2 HIS 23 35.056 14.153 2.062 178 HB3 HIS 23 HB1 HIS 23 35.019 13.010 0.699 179 HD1 HIS 23 HD1 HIS 23 31.676 12.976 1.889 180 HD2 HIS 23 HD2 HIS 23 33.920 15.772 -0.313 181 HE1 HIS 23 HE1 HIS 23 30.019 14.502 0.684 182 H HIS 24 HN HIS 24 33.570 12.188 -0.062 183 HA HIS 24 HA HIS 24 32.428 9.526 -0.118 184 HB2 HIS 24 HB2 HIS 24 30.514 10.714 0.911 185 HB3 HIS 24 HB1 HIS 24 30.495 11.855 -0.455 186 HD1 HIS 24 HD1 HIS 24 31.374 8.368 -1.370 187 HD2 HIS 24 HD2 HIS 24 27.850 10.632 -1.002 188 HE1 HIS 24 HE1 HIS 24 29.532 7.119 -2.625 Start of MODEL 45 1 H1 PHE 1 HT1 PHE 1 60.062 7.496 -10.693 2 H2 PHE 1 HT2 PHE 1 59.099 7.845 -12.048 3 H3 PHE 1 HT3 PHE 1 60.305 6.652 -12.143 4 HA PHE 1 HA PHE 1 57.637 6.372 -11.455 5 HB2 PHE 1 HB2 PHE 1 59.154 4.839 -12.781 6 HB3 PHE 1 HB1 PHE 1 59.904 4.352 -11.242 7 HD1 PHE 1 HD1 PHE 1 58.794 2.827 -9.744 8 HD2 PHE 1 HD2 PHE 1 56.686 4.443 -13.148 9 HE1 PHE 1 HE1 PHE 1 56.936 1.212 -9.361 10 HE2 PHE 1 HE2 PHE 1 54.828 2.830 -12.762 11 HZ PHE 1 HZ PHE 1 54.916 1.274 -10.818 12 H LEU 2 HN LEU 2 56.573 5.801 -9.616 13 HA LEU 2 HA LEU 2 57.748 6.569 -7.103 14 HB2 LEU 2 HB2 LEU 2 55.281 4.855 -7.591 15 HB3 LEU 2 HB1 LEU 2 55.667 5.759 -6.111 16 HG LEU 2 HG LEU 2 55.320 7.068 -8.848 17 HD11 LEU 2 HD11 LEU 2 53.315 6.766 -6.568 18 HD12 LEU 2 HD12 LEU 2 53.222 5.965 -8.155 19 HD13 LEU 2 HD13 LEU 2 53.070 7.735 -8.040 20 HD21 LEU 2 HD21 LEU 2 54.867 9.086 -7.265 21 HD22 LEU 2 HD22 LEU 2 56.548 8.542 -7.424 22 HD23 LEU 2 HD23 LEU 2 55.601 8.089 -5.988 23 H GLY 3 HN GLY 3 56.290 3.358 -7.715 24 HA2 GLY 3 HA1 GLY 3 56.955 1.268 -6.988 25 HA3 GLY 3 HA2 GLY 3 58.606 1.792 -7.373 26 H ALA 4 HN ALA 4 56.676 3.508 -5.002 27 HA ALA 4 HA ALA 4 57.582 2.001 -2.703 28 HB1 ALA 4 HB1 ALA 4 59.753 2.965 -3.359 29 HB2 ALA 4 HB2 ALA 4 59.182 3.639 -1.813 30 HB3 ALA 4 HB3 ALA 4 59.043 4.595 -3.306 31 H LEU 5 HN LEU 5 55.485 3.907 -4.199 32 HA LEU 5 HA LEU 5 53.828 5.396 -3.532 33 HB2 LEU 5 HB2 LEU 5 54.057 4.139 -0.778 34 HB3 LEU 5 HB1 LEU 5 52.600 4.718 -1.623 35 HG LEU 5 HG LEU 5 54.293 2.288 -2.356 36 HD11 LEU 5 HD11 LEU 5 52.713 2.085 -0.400 37 HD12 LEU 5 HD12 LEU 5 52.296 1.020 -1.764 38 HD13 LEU 5 HD13 LEU 5 51.378 2.521 -1.490 39 HD21 LEU 5 HD21 LEU 5 51.958 3.654 -3.760 40 HD22 LEU 5 HD22 LEU 5 52.379 1.949 -4.054 41 HD23 LEU 5 HD23 LEU 5 53.550 3.232 -4.434 42 H ILE 6 HN ILE 6 54.851 7.373 -3.667 43 HA ILE 6 HA ILE 6 55.378 8.668 -1.019 44 HB ILE 6 HB ILE 6 57.557 9.613 -1.796 45 HG12 ILE 6 HG12 ILE 6 57.289 7.629 -4.107 46 HG13 ILE 6 HG11 ILE 6 57.116 9.391 -4.261 47 HG21 ILE 6 HG21 ILE 6 58.886 7.674 -1.334 48 HG22 ILE 6 HG22 ILE 6 57.654 6.579 -2.006 49 HG23 ILE 6 HG23 ILE 6 57.352 7.427 -0.471 50 HD11 ILE 6 HD1 ILE 6 59.484 9.517 -3.180 51 HD12 ILE 6 HD2 ILE 6 59.371 8.985 -4.874 52 HD13 ILE 6 HD3 ILE 6 59.600 7.786 -3.580 53 H LYS 7 HN LYS 7 56.763 10.908 -2.632 54 HA LYS 7 HA LYS 7 55.870 12.977 -3.232 55 HB2 LYS 7 HB2 LYS 7 53.920 11.216 -4.814 56 HB3 LYS 7 HB1 LYS 7 53.962 12.988 -4.928 57 HG2 LYS 7 HG2 LYS 7 56.492 11.369 -5.410 58 HG3 LYS 7 HG1 LYS 7 55.288 11.549 -6.703 59 HD2 LYS 7 HD2 LYS 7 55.431 14.045 -6.435 60 HD3 LYS 7 HD1 LYS 7 56.730 13.810 -5.244 61 HE2 LYS 7 HE2 LYS 7 57.778 14.225 -7.382 62 HE3 LYS 7 HE1 LYS 7 57.993 12.499 -7.008 63 HZ1 LYS 7 HZ1 LYS 7 57.261 12.585 -9.221 64 HZ2 LYS 7 HZ2 LYS 7 56.065 13.744 -8.888 65 HZ3 LYS 7 HZ3 LYS 7 55.883 12.149 -8.333 66 H GLY 8 HN GLY 8 55.357 11.256 -1.209 67 HA2 GLY 8 HA1 GLY 8 54.044 10.564 0.449 68 HA3 GLY 8 HA2 GLY 8 53.851 12.341 0.713 69 H ALA 9 HN ALA 9 52.477 9.401 -0.564 70 HA ALA 9 HA ALA 9 50.390 8.850 -1.363 71 HB1 ALA 9 HB1 ALA 9 48.530 9.704 0.135 72 HB2 ALA 9 HB2 ALA 9 49.761 10.673 0.979 73 HB3 ALA 9 HB3 ALA 9 49.874 8.897 0.974 74 H ILE 10 HN ILE 10 51.569 10.774 -2.924 75 HA ILE 10 HA ILE 10 51.200 12.678 -4.215 76 HB ILE 10 HB ILE 10 48.944 12.426 -5.563 77 HG12 ILE 10 HG12 ILE 10 48.063 10.749 -3.719 78 HG13 ILE 10 HG11 ILE 10 47.741 10.416 -5.421 79 HG21 ILE 10 HG21 ILE 10 51.227 10.413 -5.636 80 HG22 ILE 10 HG22 ILE 10 51.065 11.925 -6.556 81 HG23 ILE 10 HG23 ILE 10 49.989 10.555 -6.908 82 HD11 ILE 10 HD1 ILE 10 50.125 9.211 -3.948 83 HD12 ILE 10 HD2 ILE 10 49.458 8.736 -5.521 84 HD13 ILE 10 HD3 ILE 10 48.537 8.425 -4.034 85 H HIS 11 HN HIS 11 47.716 12.421 -3.764 86 HA HIS 11 HA HIS 11 47.404 15.162 -3.241 87 HB2 HIS 11 HB2 HIS 11 45.574 13.031 -2.099 88 HB3 HIS 11 HB1 HIS 11 45.162 14.674 -2.647 89 HD1 HIS 11 HD1 HIS 11 44.847 11.305 -3.732 90 HD2 HIS 11 HD2 HIS 11 45.960 14.885 -5.635 91 HE1 HIS 11 HE1 HIS 11 44.597 10.940 -6.248 92 H GLY 12 HN GLY 12 48.983 12.918 -1.247 93 HA2 GLY 12 HA1 GLY 12 48.023 13.788 1.324 94 HA3 GLY 12 HA2 GLY 12 49.599 13.040 0.994 95 H GLY 13 HN GLY 13 49.388 15.528 -1.102 96 HA2 GLY 13 HA1 GLY 13 50.020 17.753 0.688 97 HA3 GLY 13 HA2 GLY 13 51.430 17.091 -0.167 98 H ARG 14 HN ARG 14 49.813 16.302 -2.526 99 HA ARG 14 HA ARG 14 50.051 18.835 -3.934 100 HB2 ARG 14 HB2 ARG 14 50.555 16.738 -5.073 101 HB3 ARG 14 HB1 ARG 14 48.913 16.133 -4.769 102 HG2 ARG 14 HG2 ARG 14 49.208 16.987 -7.100 103 HG3 ARG 14 HG1 ARG 14 47.960 17.883 -6.212 104 HD2 ARG 14 HD2 ARG 14 49.337 19.793 -5.964 105 HD3 ARG 14 HD1 ARG 14 50.833 18.870 -6.253 106 HE ARG 14 HE ARG 14 50.527 19.396 -8.521 107 HH11 ARG 14 HH11 ARG 14 48.133 21.168 -7.550 108 HH12 ARG 14 HH12 ARG 14 46.915 20.648 -8.667 109 HH21 ARG 14 HH21 ARG 14 48.680 17.847 -9.698 110 HH22 ARG 14 HH22 ARG 14 47.225 18.769 -9.883 111 H PHE 15 HN PHE 15 47.480 17.126 -2.279 112 HA PHE 15 HA PHE 15 45.153 17.984 -3.500 113 HB2 PHE 15 HB2 PHE 15 45.251 16.674 -1.388 114 HB3 PHE 15 HB1 PHE 15 45.708 18.153 -0.511 115 HD1 PHE 15 HD1 PHE 15 42.973 16.302 -2.122 116 HD2 PHE 15 HD2 PHE 15 44.114 20.074 -0.362 117 HE1 PHE 15 HE1 PHE 15 40.572 16.942 -1.938 118 HE2 PHE 15 HE2 PHE 15 41.713 20.713 -0.177 119 HZ PHE 15 HZ PHE 15 39.942 19.130 -0.925 120 H ILE 16 HN ILE 16 46.813 19.899 -0.930 121 HA ILE 16 HA ILE 16 45.250 22.257 -1.562 122 HB ILE 16 HB ILE 16 47.905 22.190 -0.062 123 HG12 ILE 16 HG12 ILE 16 45.071 21.773 0.999 124 HG13 ILE 16 HG11 ILE 16 46.286 20.488 0.821 125 HG21 ILE 16 HG21 ILE 16 46.979 24.416 -0.735 126 HG22 ILE 16 HG22 ILE 16 46.970 24.189 1.028 127 HG23 ILE 16 HG23 ILE 16 45.463 24.013 0.104 128 HD11 ILE 16 HD1 ILE 16 47.798 22.091 2.300 129 HD12 ILE 16 HD2 ILE 16 46.552 21.087 3.079 130 HD13 ILE 16 HD3 ILE 16 46.237 22.809 2.770 131 H HIS 17 HN HIS 17 48.846 22.448 -1.502 132 HA HIS 17 HA HIS 17 48.826 23.091 -4.426 133 HB2 HIS 17 HB2 HIS 17 49.637 25.027 -2.221 134 HB3 HIS 17 HB1 HIS 17 50.141 25.206 -3.917 135 HD1 HIS 17 HD1 HIS 17 47.698 26.499 -1.727 136 HD2 HIS 17 HD2 HIS 17 47.522 24.932 -5.625 137 HE1 HIS 17 HE1 HIS 17 45.521 27.324 -2.782 138 H GLY 18 HN GLY 18 49.987 21.437 -1.905 139 HA2 GLY 18 HA1 GLY 18 52.093 20.143 -2.967 140 HA3 GLY 18 HA2 GLY 18 52.875 21.676 -2.508 141 H MET 19 HN MET 19 51.695 22.394 -0.264 142 HA MET 19 HA MET 19 51.138 20.710 1.777 143 HB2 MET 19 HB2 MET 19 53.937 20.304 1.001 144 HB3 MET 19 HB1 MET 19 53.786 20.784 2.696 145 HG2 MET 19 HG2 MET 19 52.062 18.551 1.581 146 HG3 MET 19 HG1 MET 19 53.725 18.244 2.132 147 HE1 MET 19 HE1 MET 19 54.004 17.283 4.466 148 HE2 MET 19 HE2 MET 19 52.615 16.515 3.659 149 HE3 MET 19 HE3 MET 19 52.513 16.958 5.380 150 H ILE 20 HN ILE 20 51.271 23.418 0.523 151 HA ILE 20 HA ILE 20 51.297 25.591 1.367 152 HB ILE 20 HB ILE 20 50.419 24.001 3.649 153 HG12 ILE 20 HG12 ILE 20 49.433 26.258 4.378 154 HG13 ILE 20 HG11 ILE 20 50.249 26.966 2.965 155 HG21 ILE 20 HG21 ILE 20 52.327 26.240 4.467 156 HG22 ILE 20 HG22 ILE 20 52.598 24.501 4.730 157 HG23 ILE 20 HG23 ILE 20 51.260 25.327 5.557 158 HD11 ILE 20 HD1 ILE 20 48.044 24.880 3.030 159 HD12 ILE 20 HD2 ILE 20 49.062 25.103 1.588 160 HD13 ILE 20 HD3 ILE 20 48.063 26.446 2.190 161 H GLN 21 HN GLN 21 53.469 23.074 1.852 162 HA GLN 21 HA GLN 21 55.726 24.947 2.665 163 HB2 GLN 21 HB2 GLN 21 55.302 22.716 3.883 164 HB3 GLN 21 HB1 GLN 21 55.832 21.918 2.384 165 HG2 GLN 21 HG2 GLN 21 57.790 22.103 3.762 166 HG3 GLN 21 HG1 GLN 21 57.947 23.360 2.512 167 HE21 GLN 21 HE21 GLN 21 57.233 22.783 5.973 168 HE22 GLN 21 HE22 GLN 21 57.423 24.472 6.456 169 H ASN 22 HN ASN 22 54.648 22.556 0.220 170 HA ASN 22 HA ASN 22 56.961 23.264 -1.517 171 HB2 ASN 22 HB2 ASN 22 54.849 21.123 -1.420 172 HB3 ASN 22 HB1 ASN 22 55.439 21.578 -3.037 173 HD21 ASN 22 HD21 ASN 22 55.943 19.308 -0.702 174 HD22 ASN 22 HD22 ASN 22 57.675 19.039 -0.916 175 H HIS 23 HN HIS 23 53.685 24.127 -0.844 176 HA HIS 23 HA HIS 23 52.548 24.952 -3.214 177 HB2 HIS 23 HB2 HIS 23 51.599 25.359 -0.963 178 HB3 HIS 23 HB1 HIS 23 52.783 26.663 -0.713 179 HD1 HIS 23 HD1 HIS 23 52.166 27.009 -4.142 180 HD2 HIS 23 HD2 HIS 23 49.779 27.771 -0.766 181 HE1 HIS 23 HE1 HIS 23 50.372 28.687 -4.843 182 H HIS 24 HN HIS 24 53.775 25.584 -4.927 183 HA HIS 24 HA HIS 24 55.165 26.940 -6.201 184 HB2 HIS 24 HB2 HIS 24 53.927 29.014 -4.351 185 HB3 HIS 24 HB1 HIS 24 54.856 29.402 -5.819 186 HD1 HIS 24 HD1 HIS 24 52.654 26.351 -5.799 187 HD2 HIS 24 HD2 HIS 24 52.419 30.357 -7.056 188 HE1 HIS 24 HE1 HIS 24 50.627 26.548 -7.343 Start of MODEL 46 1 H1 PHE 1 HT1 PHE 1 51.809 7.939 6.251 2 H2 PHE 1 HT2 PHE 1 50.844 8.033 7.647 3 H3 PHE 1 HT3 PHE 1 50.343 7.092 6.324 4 HA PHE 1 HA PHE 1 52.538 6.598 8.213 5 HB2 PHE 1 HB2 PHE 1 50.291 4.792 7.253 6 HB3 PHE 1 HB1 PHE 1 51.375 4.544 8.643 7 HD1 PHE 1 HD1 PHE 1 48.430 6.367 7.368 8 HD2 PHE 1 HD2 PHE 1 51.142 5.904 10.694 9 HE1 PHE 1 HE1 PHE 1 46.852 7.626 8.829 10 HE2 PHE 1 HE2 PHE 1 49.565 7.163 12.155 11 HZ PHE 1 HZ PHE 1 47.385 7.955 11.241 12 H LEU 2 HN LEU 2 51.746 6.658 4.918 13 HA LEU 2 HA LEU 2 53.158 4.231 4.120 14 HB2 LEU 2 HB2 LEU 2 52.644 6.639 2.345 15 HB3 LEU 2 HB1 LEU 2 52.719 4.917 1.897 16 HG LEU 2 HG LEU 2 50.559 6.273 3.573 17 HD11 LEU 2 HD11 LEU 2 50.499 4.931 0.833 18 HD12 LEU 2 HD12 LEU 2 50.433 6.686 1.128 19 HD13 LEU 2 HD13 LEU 2 49.102 5.640 1.677 20 HD21 LEU 2 HD21 LEU 2 51.085 3.353 2.873 21 HD22 LEU 2 HD22 LEU 2 49.472 3.943 3.344 22 HD23 LEU 2 HD23 LEU 2 50.833 4.067 4.483 23 H GLY 3 HN GLY 3 55.107 4.205 2.796 24 HA2 GLY 3 HA1 GLY 3 56.880 6.507 2.815 25 HA3 GLY 3 HA2 GLY 3 57.329 5.310 4.047 26 H ALA 4 HN ALA 4 56.350 5.442 0.593 27 HA ALA 4 HA ALA 4 58.802 4.149 -0.253 28 HB1 ALA 4 HB1 ALA 4 57.812 2.038 -1.045 29 HB2 ALA 4 HB2 ALA 4 56.264 2.479 -0.284 30 HB3 ALA 4 HB3 ALA 4 57.698 2.182 0.725 31 H LEU 5 HN LEU 5 55.340 4.693 -0.978 32 HA LEU 5 HA LEU 5 55.790 4.865 -3.848 33 HB2 LEU 5 HB2 LEU 5 53.440 6.051 -2.335 34 HB3 LEU 5 HB1 LEU 5 53.485 5.428 -4.000 35 HG LEU 5 HG LEU 5 53.818 3.772 -1.457 36 HD11 LEU 5 HD11 LEU 5 51.638 2.835 -2.057 37 HD12 LEU 5 HD12 LEU 5 51.583 3.830 -3.532 38 HD13 LEU 5 HD13 LEU 5 51.501 4.605 -1.930 39 HD21 LEU 5 HD21 LEU 5 55.135 2.714 -3.154 40 HD22 LEU 5 HD22 LEU 5 53.949 3.092 -4.426 41 HD23 LEU 5 HD23 LEU 5 53.576 1.863 -3.193 42 H ILE 6 HN ILE 6 55.530 7.191 -1.163 43 HA ILE 6 HA ILE 6 55.979 9.496 -1.076 44 HB ILE 6 HB ILE 6 57.626 9.252 -3.641 45 HG12 ILE 6 HG12 ILE 6 58.368 7.246 -2.624 46 HG13 ILE 6 HG11 ILE 6 59.558 8.456 -2.109 47 HG21 ILE 6 HG21 ILE 6 58.881 11.013 -2.756 48 HG22 ILE 6 HG22 ILE 6 58.549 10.569 -1.071 49 HG23 ILE 6 HG23 ILE 6 57.294 11.368 -2.040 50 HD11 ILE 6 HD1 ILE 6 57.864 8.669 -0.001 51 HD12 ILE 6 HD2 ILE 6 59.139 7.438 -0.053 52 HD13 ILE 6 HD3 ILE 6 57.473 7.004 -0.477 53 H LYS 7 HN LYS 7 56.693 10.972 -3.717 54 HA LYS 7 HA LYS 7 55.354 12.475 -4.903 55 HB2 LYS 7 HB2 LYS 7 54.694 10.263 -6.135 56 HB3 LYS 7 HB1 LYS 7 53.237 10.282 -5.113 57 HG2 LYS 7 HG2 LYS 7 52.831 12.666 -5.944 58 HG3 LYS 7 HG1 LYS 7 54.120 12.383 -7.135 59 HD2 LYS 7 HD2 LYS 7 51.643 10.625 -6.832 60 HD3 LYS 7 HD1 LYS 7 51.802 11.932 -8.026 61 HE2 LYS 7 HE2 LYS 7 53.963 10.722 -8.800 62 HE3 LYS 7 HE1 LYS 7 53.373 9.337 -7.850 63 HZ1 LYS 7 HZ1 LYS 7 51.579 9.046 -9.219 64 HZ2 LYS 7 HZ2 LYS 7 52.726 9.598 -10.345 65 HZ3 LYS 7 HZ3 LYS 7 51.547 10.661 -9.739 66 H GLY 8 HN GLY 8 55.494 11.763 -2.295 67 HA2 GLY 8 HA1 GLY 8 54.623 11.733 -0.251 68 HA3 GLY 8 HA2 GLY 8 54.171 13.427 -0.684 69 H ALA 9 HN ALA 9 53.139 10.085 -0.423 70 HA ALA 9 HA ALA 9 51.065 9.115 -0.228 71 HB1 ALA 9 HB1 ALA 9 50.973 10.572 1.758 72 HB2 ALA 9 HB2 ALA 9 49.364 10.370 1.024 73 HB3 ALA 9 HB3 ALA 9 50.278 11.875 0.767 74 H ILE 10 HN ILE 10 51.646 9.834 -2.782 75 HA ILE 10 HA ILE 10 50.590 9.973 -4.812 76 HB ILE 10 HB ILE 10 48.427 9.277 -3.086 77 HG12 ILE 10 HG12 ILE 10 49.154 8.132 -5.188 78 HG13 ILE 10 HG11 ILE 10 47.396 8.355 -5.080 79 HG21 ILE 10 HG21 ILE 10 47.561 11.598 -3.204 80 HG22 ILE 10 HG22 ILE 10 46.466 10.441 -3.988 81 HG23 ILE 10 HG23 ILE 10 47.502 11.492 -4.977 82 HD11 ILE 10 HD1 ILE 10 47.356 9.972 -6.779 83 HD12 ILE 10 HD2 ILE 10 48.698 8.947 -7.337 84 HD13 ILE 10 HD3 ILE 10 49.038 10.475 -6.492 85 H HIS 11 HN HIS 11 49.668 12.380 -2.374 86 HA HIS 11 HA HIS 11 50.622 14.548 -4.020 87 HB2 HIS 11 HB2 HIS 11 48.470 14.058 -5.209 88 HB3 HIS 11 HB1 HIS 11 47.600 14.376 -3.690 89 HD1 HIS 11 HD1 HIS 11 49.859 16.099 -6.246 90 HD2 HIS 11 HD2 HIS 11 47.139 17.076 -3.194 91 HE1 HIS 11 HE1 HIS 11 49.540 18.634 -6.294 92 H GLY 12 HN GLY 12 49.258 13.135 -1.230 93 HA2 GLY 12 HA1 GLY 12 50.323 14.477 0.781 94 HA3 GLY 12 HA2 GLY 12 49.163 15.721 0.267 95 H GLY 13 HN GLY 13 48.027 12.608 -0.407 96 HA2 GLY 13 HA1 GLY 13 46.554 11.186 0.699 97 HA3 GLY 13 HA2 GLY 13 46.906 12.023 2.224 98 H ARG 14 HN ARG 14 45.199 12.405 -0.895 99 HA ARG 14 HA ARG 14 42.770 13.226 0.456 100 HB2 ARG 14 HB2 ARG 14 44.107 15.327 0.668 101 HB3 ARG 14 HB1 ARG 14 44.271 15.372 -1.099 102 HG2 ARG 14 HG2 ARG 14 42.437 16.847 -0.412 103 HG3 ARG 14 HG1 ARG 14 41.774 15.465 -1.308 104 HD2 ARG 14 HD2 ARG 14 40.819 14.510 0.616 105 HD3 ARG 14 HD1 ARG 14 41.982 15.295 1.713 106 HE ARG 14 HE ARG 14 40.438 17.336 0.466 107 HH11 ARG 14 HH11 ARG 14 40.892 16.297 3.450 108 HH12 ARG 14 HH12 ARG 14 39.240 16.267 3.968 109 HH21 ARG 14 HH21 ARG 14 37.953 16.600 0.766 110 HH22 ARG 14 HH22 ARG 14 37.576 16.439 2.449 111 H PHE 15 HN PHE 15 44.742 13.077 -2.478 112 HA PHE 15 HA PHE 15 42.389 13.053 -4.254 113 HB2 PHE 15 HB2 PHE 15 44.662 13.961 -4.906 114 HB3 PHE 15 HB1 PHE 15 45.267 12.287 -4.886 115 HD1 PHE 15 HD1 PHE 15 44.587 10.674 -6.589 116 HD2 PHE 15 HD2 PHE 15 42.986 14.681 -6.572 117 HE1 PHE 15 HE1 PHE 15 43.695 10.326 -8.889 118 HE2 PHE 15 HE2 PHE 15 42.093 14.333 -8.873 119 HZ PHE 15 HZ PHE 15 42.523 12.186 -10.062 120 H ILE 16 HN ILE 16 41.134 11.316 -3.507 121 HA ILE 16 HA ILE 16 40.515 9.091 -3.300 122 HB ILE 16 HB ILE 16 42.624 8.445 -5.394 123 HG12 ILE 16 HG12 ILE 16 39.852 9.655 -5.804 124 HG13 ILE 16 HG11 ILE 16 41.402 10.466 -6.128 125 HG21 ILE 16 HG21 ILE 16 41.213 6.645 -4.218 126 HG22 ILE 16 HG22 ILE 16 41.150 6.660 -5.995 127 HG23 ILE 16 HG23 ILE 16 39.807 7.350 -5.052 128 HD11 ILE 16 HD1 ILE 16 40.164 8.104 -7.582 129 HD12 ILE 16 HD2 ILE 16 41.906 8.455 -7.702 130 HD13 ILE 16 HD3 ILE 16 40.715 9.656 -8.253 131 H HIS 17 HN HIS 17 41.964 9.768 -1.302 132 HA HIS 17 HA HIS 17 43.846 7.461 -0.840 133 HB2 HIS 17 HB2 HIS 17 45.153 9.576 -1.178 134 HB3 HIS 17 HB1 HIS 17 44.242 10.316 0.160 135 HD1 HIS 17 HD1 HIS 17 44.606 9.343 2.578 136 HD2 HIS 17 HD2 HIS 17 47.178 7.797 -0.366 137 HE1 HIS 17 HE1 HIS 17 46.479 8.090 3.784 138 H GLY 18 HN GLY 18 42.370 10.257 0.904 139 HA2 GLY 18 HA1 GLY 18 41.895 8.830 3.332 140 HA3 GLY 18 HA2 GLY 18 40.959 10.241 2.765 141 H MET 19 HN MET 19 39.762 9.615 0.631 142 HA MET 19 HA MET 19 38.794 7.195 0.025 143 HB2 MET 19 HB2 MET 19 37.678 7.841 2.625 144 HB3 MET 19 HB1 MET 19 36.364 7.776 1.436 145 HG2 MET 19 HG2 MET 19 37.037 5.519 0.765 146 HG3 MET 19 HG1 MET 19 38.454 5.590 1.838 147 HE1 MET 19 HE1 MET 19 34.014 5.365 2.887 148 HE2 MET 19 HE2 MET 19 34.756 4.240 1.726 149 HE3 MET 19 HE3 MET 19 34.798 5.992 1.419 150 H ILE 20 HN ILE 20 39.063 8.301 -1.884 151 HA ILE 20 HA ILE 20 38.221 9.529 -3.673 152 HB ILE 20 HB ILE 20 35.511 9.712 -2.281 153 HG12 ILE 20 HG12 ILE 20 36.704 7.319 -3.764 154 HG13 ILE 20 HG11 ILE 20 36.184 7.362 -2.066 155 HG21 ILE 20 HG21 ILE 20 36.090 10.864 -4.539 156 HG22 ILE 20 HG22 ILE 20 34.640 9.840 -4.501 157 HG23 ILE 20 HG23 ILE 20 36.146 9.224 -5.222 158 HD11 ILE 20 HD1 ILE 20 34.374 6.333 -3.208 159 HD12 ILE 20 HD2 ILE 20 34.466 7.480 -4.565 160 HD13 ILE 20 HD3 ILE 20 33.848 8.019 -2.984 161 H GLN 21 HN GLN 21 39.116 10.334 -0.968 162 HA GLN 21 HA GLN 21 39.950 12.470 -0.279 163 HB2 GLN 21 HB2 GLN 21 37.500 13.827 -1.501 164 HB3 GLN 21 HB1 GLN 21 38.967 14.585 -0.872 165 HG2 GLN 21 HG2 GLN 21 40.071 14.378 -2.870 166 HG3 GLN 21 HG1 GLN 21 39.643 12.664 -3.022 167 HE21 GLN 21 HE21 GLN 21 37.367 15.467 -2.808 168 HE22 GLN 21 HE22 GLN 21 36.682 15.216 -4.418 169 H ASN 22 HN ASN 22 38.300 10.401 0.700 170 HA ASN 22 HA ASN 22 36.766 9.911 2.352 171 HB2 ASN 22 HB2 ASN 22 38.653 10.632 3.656 172 HB3 ASN 22 HB1 ASN 22 38.131 12.339 3.540 173 HD21 ASN 22 HD21 ASN 22 38.262 11.841 6.093 174 HD22 ASN 22 HD22 ASN 22 36.730 11.327 6.807 175 H HIS 23 HN HIS 23 35.561 11.004 0.299 176 HA HIS 23 HA HIS 23 33.942 13.325 1.064 177 HB2 HIS 23 HB2 HIS 23 34.526 12.675 -1.302 178 HB3 HIS 23 HB1 HIS 23 33.426 11.285 -1.135 179 HD1 HIS 23 HD1 HIS 23 32.551 14.532 0.558 180 HD2 HIS 23 HD2 HIS 23 31.640 12.549 -3.035 181 HE1 HIS 23 HE1 HIS 23 30.517 15.696 -0.461 182 H HIS 24 HN HIS 24 32.823 10.055 0.106 183 HA HIS 24 HA HIS 24 31.344 9.657 2.578 184 HB2 HIS 24 HB2 HIS 24 29.895 11.380 1.589 185 HB3 HIS 24 HB1 HIS 24 29.776 10.435 0.084 186 HD1 HIS 24 HD1 HIS 24 29.657 8.957 3.601 187 HD2 HIS 24 HD2 HIS 24 27.066 9.721 0.379 188 HE1 HIS 24 HE1 HIS 24 27.451 7.768 4.101 Start of MODEL 47 1 H1 PHE 1 HT1 PHE 1 57.819 -2.489 -8.121 2 H2 PHE 1 HT2 PHE 1 56.483 -1.442 -8.203 3 H3 PHE 1 HT3 PHE 1 57.060 -1.974 -6.696 4 HA PHE 1 HA PHE 1 59.169 -0.853 -7.141 5 HB2 PHE 1 HB2 PHE 1 57.615 0.431 -9.418 6 HB3 PHE 1 HB1 PHE 1 59.315 0.710 -8.971 7 HD1 PHE 1 HD1 PHE 1 57.126 -1.202 -11.067 8 HD2 PHE 1 HD2 PHE 1 60.858 -1.429 -8.907 9 HE1 PHE 1 HE1 PHE 1 57.842 -3.106 -12.504 10 HE2 PHE 1 HE2 PHE 1 61.573 -3.334 -10.344 11 HZ PHE 1 HZ PHE 1 60.032 -4.220 -12.090 12 H LEU 2 HN LEU 2 59.430 1.473 -6.607 13 HA LEU 2 HA LEU 2 57.350 2.258 -4.734 14 HB2 LEU 2 HB2 LEU 2 59.939 3.516 -5.704 15 HB3 LEU 2 HB1 LEU 2 58.846 4.382 -4.598 16 HG LEU 2 HG LEU 2 58.971 2.479 -3.000 17 HD11 LEU 2 HD11 LEU 2 60.922 0.820 -3.471 18 HD12 LEU 2 HD12 LEU 2 60.778 1.341 -5.167 19 HD13 LEU 2 HD13 LEU 2 59.397 0.568 -4.350 20 HD21 LEU 2 HD21 LEU 2 60.565 4.409 -2.883 21 HD22 LEU 2 HD22 LEU 2 61.716 3.487 -3.879 22 HD23 LEU 2 HD23 LEU 2 61.272 2.900 -2.257 23 H GLY 3 HN GLY 3 56.061 4.143 -4.758 24 HA2 GLY 3 HA1 GLY 3 55.942 6.019 -6.870 25 HA3 GLY 3 HA2 GLY 3 54.845 4.690 -7.295 26 H ALA 4 HN ALA 4 53.673 3.932 -5.021 27 HA ALA 4 HA ALA 4 51.875 6.163 -4.500 28 HB1 ALA 4 HB1 ALA 4 50.992 3.919 -4.583 29 HB2 ALA 4 HB2 ALA 4 50.803 4.532 -2.923 30 HB3 ALA 4 HB3 ALA 4 52.106 3.382 -3.305 31 H LEU 5 HN LEU 5 54.638 4.697 -2.880 32 HA LEU 5 HA LEU 5 54.171 5.776 -0.265 33 HB2 LEU 5 HB2 LEU 5 56.654 4.904 -1.780 34 HB3 LEU 5 HB1 LEU 5 56.774 5.586 -0.143 35 HG LEU 5 HG LEU 5 55.263 3.847 0.723 36 HD11 LEU 5 HD11 LEU 5 54.737 1.901 -0.909 37 HD12 LEU 5 HD12 LEU 5 55.123 3.051 -2.211 38 HD13 LEU 5 HD13 LEU 5 53.783 3.390 -1.088 39 HD21 LEU 5 HD21 LEU 5 57.451 2.632 -1.024 40 HD22 LEU 5 HD22 LEU 5 56.767 1.932 0.462 41 HD23 LEU 5 HD23 LEU 5 57.735 3.425 0.544 42 H ILE 6 HN ILE 6 56.117 7.002 -3.025 43 HA ILE 6 HA ILE 6 56.353 9.656 -1.606 44 HB ILE 6 HB ILE 6 58.287 8.297 -2.879 45 HG12 ILE 6 HG12 ILE 6 57.893 11.305 -3.249 46 HG13 ILE 6 HG11 ILE 6 58.562 10.500 -1.815 47 HG21 ILE 6 HG21 ILE 6 56.704 8.434 -5.066 48 HG22 ILE 6 HG22 ILE 6 58.476 8.446 -5.180 49 HG23 ILE 6 HG23 ILE 6 57.575 9.969 -5.283 50 HD11 ILE 6 HD1 ILE 6 59.750 10.617 -4.613 51 HD12 ILE 6 HD2 ILE 6 60.323 9.478 -3.372 52 HD13 ILE 6 HD3 ILE 6 60.449 11.232 -3.098 53 H LYS 7 HN LYS 7 56.595 11.066 -4.291 54 HA LYS 7 HA LYS 7 55.071 12.502 -5.311 55 HB2 LYS 7 HB2 LYS 7 53.707 9.812 -5.525 56 HB3 LYS 7 HB1 LYS 7 52.658 11.234 -5.720 57 HG2 LYS 7 HG2 LYS 7 53.510 10.484 -7.908 58 HG3 LYS 7 HG1 LYS 7 54.162 12.090 -7.505 59 HD2 LYS 7 HD2 LYS 7 56.289 11.169 -6.866 60 HD3 LYS 7 HD1 LYS 7 55.656 9.506 -6.906 61 HE2 LYS 7 HE2 LYS 7 55.799 11.342 -9.336 62 HE3 LYS 7 HE1 LYS 7 57.028 10.118 -8.934 63 HZ1 LYS 7 HZ1 LYS 7 54.280 9.176 -8.936 64 HZ2 LYS 7 HZ2 LYS 7 55.684 8.449 -9.557 65 HZ3 LYS 7 HZ3 LYS 7 54.876 9.644 -10.453 66 H GLY 8 HN GLY 8 55.594 11.835 -2.742 67 HA2 GLY 8 HA1 GLY 8 55.017 11.828 -0.594 68 HA3 GLY 8 HA2 GLY 8 54.419 13.484 -0.992 69 H ALA 9 HN ALA 9 53.605 10.086 -0.591 70 HA ALA 9 HA ALA 9 51.630 9.021 -0.088 71 HB1 ALA 9 HB1 ALA 9 50.644 11.721 0.880 72 HB2 ALA 9 HB2 ALA 9 51.760 10.694 1.812 73 HB3 ALA 9 HB3 ALA 9 50.124 10.109 1.423 74 H ILE 10 HN ILE 10 51.830 9.553 -2.686 75 HA ILE 10 HA ILE 10 50.546 9.592 -4.586 76 HB ILE 10 HB ILE 10 48.555 9.092 -2.526 77 HG12 ILE 10 HG12 ILE 10 49.246 7.630 -4.481 78 HG13 ILE 10 HG11 ILE 10 47.498 7.736 -4.190 79 HG21 ILE 10 HG21 ILE 10 46.511 9.999 -3.598 80 HG22 ILE 10 HG22 ILE 10 47.514 10.963 -4.702 81 HG23 ILE 10 HG23 ILE 10 47.562 11.278 -2.954 82 HD11 ILE 10 HD1 ILE 10 48.821 9.630 -6.161 83 HD12 ILE 10 HD2 ILE 10 47.128 9.089 -6.089 84 HD13 ILE 10 HD3 ILE 10 48.396 7.975 -6.652 85 H HIS 11 HN HIS 11 49.874 12.125 -2.189 86 HA HIS 11 HA HIS 11 50.620 14.205 -4.028 87 HB2 HIS 11 HB2 HIS 11 48.378 13.658 -4.991 88 HB3 HIS 11 HB1 HIS 11 47.643 14.014 -3.410 89 HD1 HIS 11 HD1 HIS 11 46.729 16.319 -3.277 90 HD2 HIS 11 HD2 HIS 11 50.068 16.104 -5.825 91 HE1 HIS 11 HE1 HIS 11 47.156 18.673 -4.174 92 H GLY 12 HN GLY 12 49.520 12.933 -1.050 93 HA2 GLY 12 HA1 GLY 12 50.772 14.411 0.764 94 HA3 GLY 12 HA2 GLY 12 49.523 15.590 0.309 95 H GLY 13 HN GLY 13 48.734 12.208 0.134 96 HA2 GLY 13 HA1 GLY 13 47.245 10.934 1.365 97 HA3 GLY 13 HA2 GLY 13 47.886 11.752 2.806 98 H ARG 14 HN ARG 14 45.723 12.341 0.010 99 HA ARG 14 HA ARG 14 43.524 13.073 1.746 100 HB2 ARG 14 HB2 ARG 14 44.837 15.133 2.035 101 HB3 ARG 14 HB1 ARG 14 44.964 15.321 0.273 102 HG2 ARG 14 HG2 ARG 14 43.193 16.780 1.240 103 HG3 ARG 14 HG1 ARG 14 42.517 15.602 0.099 104 HD2 ARG 14 HD2 ARG 14 41.526 14.320 1.814 105 HD3 ARG 14 HD1 ARG 14 42.639 14.940 3.059 106 HE ARG 14 HE ARG 14 41.191 17.173 2.175 107 HH11 ARG 14 HH11 ARG 14 38.694 16.311 1.861 108 HH12 ARG 14 HH12 ARG 14 38.065 15.834 3.403 109 HH21 ARG 14 HH21 ARG 14 41.184 15.594 4.898 110 HH22 ARG 14 HH22 ARG 14 39.475 15.428 5.122 111 H PHE 15 HN PHE 15 45.099 13.145 -1.419 112 HA PHE 15 HA PHE 15 42.726 13.559 -2.982 113 HB2 PHE 15 HB2 PHE 15 45.120 13.747 -3.787 114 HB3 PHE 15 HB1 PHE 15 45.195 11.968 -3.776 115 HD1 PHE 15 HD1 PHE 15 43.864 14.943 -5.482 116 HD2 PHE 15 HD2 PHE 15 43.722 10.633 -5.285 117 HE1 PHE 15 HE1 PHE 15 42.762 14.876 -7.717 118 HE2 PHE 15 HE2 PHE 15 42.620 10.568 -7.518 119 HZ PHE 15 HZ PHE 15 42.079 12.693 -8.702 120 H ILE 16 HN ILE 16 44.006 10.825 -1.251 121 HA ILE 16 HA ILE 16 42.496 8.822 -2.768 122 HB ILE 16 HB ILE 16 43.697 8.516 0.019 123 HG12 ILE 16 HG12 ILE 16 45.004 8.096 -2.710 124 HG13 ILE 16 HG11 ILE 16 45.376 9.427 -1.590 125 HG21 ILE 16 HG21 ILE 16 42.094 6.756 -0.971 126 HG22 ILE 16 HG22 ILE 16 43.698 6.170 -0.482 127 HG23 ILE 16 HG23 ILE 16 43.343 6.461 -2.202 128 HD11 ILE 16 HD1 ILE 16 45.882 7.569 0.154 129 HD12 ILE 16 HD2 ILE 16 47.061 7.812 -1.155 130 HD13 ILE 16 HD3 ILE 16 45.910 6.459 -1.237 131 H HIS 17 HN HIS 17 42.317 9.315 0.791 132 HA HIS 17 HA HIS 17 39.476 10.060 0.650 133 HB2 HIS 17 HB2 HIS 17 40.307 7.224 1.351 134 HB3 HIS 17 HB1 HIS 17 38.813 7.932 2.007 135 HD1 HIS 17 HD1 HIS 17 37.585 9.419 -0.265 136 HD2 HIS 17 HD2 HIS 17 39.477 5.702 -0.793 137 HE1 HIS 17 HE1 HIS 17 36.702 8.417 -2.443 138 H GLY 18 HN GLY 18 41.909 11.099 1.775 139 HA2 GLY 18 HA1 GLY 18 41.615 12.438 3.908 140 HA3 GLY 18 HA2 GLY 18 41.340 10.879 4.723 141 H MET 19 HN MET 19 43.091 9.306 3.414 142 HA MET 19 HA MET 19 45.599 9.880 2.865 143 HB2 MET 19 HB2 MET 19 46.351 11.268 4.555 144 HB3 MET 19 HB1 MET 19 45.261 10.567 5.750 145 HG2 MET 19 HG2 MET 19 46.732 8.762 6.209 146 HG3 MET 19 HG1 MET 19 47.603 8.970 4.671 147 HE1 MET 19 HE1 MET 19 49.437 8.454 6.330 148 HE2 MET 19 HE2 MET 19 50.493 9.769 6.899 149 HE3 MET 19 HE3 MET 19 50.164 9.579 5.160 150 H ILE 20 HN ILE 20 45.191 8.046 1.804 151 HA ILE 20 HA ILE 20 45.210 5.739 1.501 152 HB ILE 20 HB ILE 20 46.367 5.410 4.311 153 HG12 ILE 20 HG12 ILE 20 47.898 6.102 1.758 154 HG13 ILE 20 HG11 ILE 20 47.635 7.211 3.118 155 HG21 ILE 20 HG21 ILE 20 47.315 3.399 3.443 156 HG22 ILE 20 HG22 ILE 20 47.048 3.895 1.756 157 HG23 ILE 20 HG23 ILE 20 45.671 3.429 2.775 158 HD11 ILE 20 HD1 ILE 20 49.278 4.661 3.059 159 HD12 ILE 20 HD2 ILE 20 48.727 5.377 4.594 160 HD13 ILE 20 HD3 ILE 20 49.794 6.301 3.511 161 H GLN 21 HN GLN 21 43.312 7.493 2.910 162 HA GLN 21 HA GLN 21 41.069 7.111 3.567 163 HB2 GLN 21 HB2 GLN 21 41.581 4.527 2.950 164 HB3 GLN 21 HB1 GLN 21 41.649 4.361 4.717 165 HG2 GLN 21 HG2 GLN 21 39.324 5.499 3.094 166 HG3 GLN 21 HG1 GLN 21 39.365 3.918 3.908 167 HE21 GLN 21 HE21 GLN 21 38.852 3.831 6.133 168 HE22 GLN 21 HE22 GLN 21 38.516 5.270 7.100 169 H ASN 22 HN ASN 22 43.366 8.180 4.704 170 HA ASN 22 HA ASN 22 44.345 8.788 6.693 171 HB2 ASN 22 HB2 ASN 22 42.686 9.598 8.382 172 HB3 ASN 22 HB1 ASN 22 42.412 10.172 6.711 173 HD21 ASN 22 HD21 ASN 22 40.458 9.571 5.656 174 HD22 ASN 22 HD22 ASN 22 39.232 8.554 6.419 175 H HIS 23 HN HIS 23 45.002 6.438 6.449 176 HA HIS 23 HA HIS 23 44.032 4.453 8.244 177 HB2 HIS 23 HB2 HIS 23 45.675 4.027 6.442 178 HB3 HIS 23 HB1 HIS 23 46.902 4.940 7.353 179 HD1 HIS 23 HD1 HIS 23 47.858 3.878 9.535 180 HD2 HIS 23 HD2 HIS 23 45.162 1.428 7.435 181 HE1 HIS 23 HE1 HIS 23 48.016 1.535 10.542 182 H HIS 24 HN HIS 24 47.137 6.166 8.761 183 HA HIS 24 HA HIS 24 46.405 7.071 11.418 184 HB2 HIS 24 HB2 HIS 24 46.590 4.660 11.911 185 HB3 HIS 24 HB1 HIS 24 48.230 4.641 11.222 186 HD1 HIS 24 HD1 HIS 24 46.393 5.213 14.347 187 HD2 HIS 24 HD2 HIS 24 50.026 6.554 12.706 188 HE1 HIS 24 HE1 HIS 24 47.813 6.112 16.271 Start of MODEL 48 1 H1 PHE 1 HT1 PHE 1 50.911 -2.206 -8.656 2 H2 PHE 1 HT2 PHE 1 50.789 -0.532 -8.922 3 H3 PHE 1 HT3 PHE 1 49.779 -1.292 -7.786 4 HA PHE 1 HA PHE 1 51.214 -0.727 -6.258 5 HB2 PHE 1 HB2 PHE 1 51.787 -3.145 -6.682 6 HB3 PHE 1 HB1 PHE 1 53.116 -2.591 -7.729 7 HD1 PHE 1 HD1 PHE 1 55.062 -1.410 -6.792 8 HD2 PHE 1 HD2 PHE 1 51.865 -2.817 -4.258 9 HE1 PHE 1 HE1 PHE 1 56.505 -1.079 -4.788 10 HE2 PHE 1 HE2 PHE 1 53.309 -2.485 -2.252 11 HZ PHE 1 HZ PHE 1 55.620 -1.592 -2.516 12 H LEU 2 HN LEU 2 52.127 1.193 -6.019 13 HA LEU 2 HA LEU 2 53.578 2.451 -8.218 14 HB2 LEU 2 HB2 LEU 2 53.520 3.442 -5.349 15 HB3 LEU 2 HB1 LEU 2 53.612 4.386 -6.856 16 HG LEU 2 HG LEU 2 51.221 2.778 -5.854 17 HD11 LEU 2 HD11 LEU 2 50.142 5.006 -5.756 18 HD12 LEU 2 HD12 LEU 2 51.656 5.765 -6.303 19 HD13 LEU 2 HD13 LEU 2 51.590 4.953 -4.722 20 HD21 LEU 2 HD21 LEU 2 50.106 3.906 -7.890 21 HD22 LEU 2 HD22 LEU 2 51.219 2.566 -8.246 22 HD23 LEU 2 HD23 LEU 2 51.753 4.250 -8.470 23 H GLY 3 HN GLY 3 55.752 3.336 -8.042 24 HA2 GLY 3 HA1 GLY 3 57.673 1.354 -7.426 25 HA3 GLY 3 HA2 GLY 3 58.019 3.076 -7.675 26 H ALA 4 HN ALA 4 56.409 4.041 -5.484 27 HA ALA 4 HA ALA 4 57.229 2.757 -3.027 28 HB1 ALA 4 HB1 ALA 4 59.435 3.646 -3.875 29 HB2 ALA 4 HB2 ALA 4 58.942 4.269 -2.282 30 HB3 ALA 4 HB3 ALA 4 58.755 5.283 -3.733 31 H LEU 5 HN LEU 5 56.558 3.935 -1.136 32 HA LEU 5 HA LEU 5 54.152 5.481 -1.644 33 HB2 LEU 5 HB2 LEU 5 55.590 5.278 1.023 34 HB3 LEU 5 HB1 LEU 5 53.848 5.455 0.710 35 HG LEU 5 HG LEU 5 55.568 3.013 0.090 36 HD11 LEU 5 HD11 LEU 5 54.898 3.432 2.496 37 HD12 LEU 5 HD12 LEU 5 54.249 1.923 1.811 38 HD13 LEU 5 HD13 LEU 5 53.198 3.350 1.978 39 HD21 LEU 5 HD21 LEU 5 52.669 3.705 -0.550 40 HD22 LEU 5 HD22 LEU 5 53.243 2.021 -0.463 41 HD23 LEU 5 HD23 LEU 5 53.937 3.135 -1.662 42 H ILE 6 HN ILE 6 54.886 7.262 -2.889 43 HA ILE 6 HA ILE 6 55.821 9.521 -1.163 44 HB ILE 6 HB ILE 6 57.598 10.179 -2.783 45 HG12 ILE 6 HG12 ILE 6 56.917 7.511 -4.107 46 HG13 ILE 6 HG11 ILE 6 56.708 9.127 -4.820 47 HG21 ILE 6 HG21 ILE 6 58.044 8.649 -0.780 48 HG22 ILE 6 HG22 ILE 6 59.265 8.608 -2.072 49 HG23 ILE 6 HG23 ILE 6 58.069 7.296 -1.936 50 HD11 ILE 6 HD1 ILE 6 59.285 7.637 -4.223 51 HD12 ILE 6 HD2 ILE 6 59.274 9.408 -4.415 52 HD13 ILE 6 HD3 ILE 6 58.747 8.362 -5.755 53 H LYS 7 HN LYS 7 56.432 11.060 -3.724 54 HA LYS 7 HA LYS 7 55.116 12.669 -4.776 55 HB2 LYS 7 HB2 LYS 7 53.364 10.200 -5.167 56 HB3 LYS 7 HB1 LYS 7 52.807 11.808 -5.685 57 HG2 LYS 7 HG2 LYS 7 54.837 12.053 -7.093 58 HG3 LYS 7 HG1 LYS 7 55.378 10.435 -6.585 59 HD2 LYS 7 HD2 LYS 7 53.318 9.443 -7.547 60 HD3 LYS 7 HD1 LYS 7 52.785 11.060 -8.069 61 HE2 LYS 7 HE2 LYS 7 54.889 11.264 -9.426 62 HE3 LYS 7 HE1 LYS 7 55.296 9.590 -8.981 63 HZ1 LYS 7 HZ1 LYS 7 53.011 9.021 -9.897 64 HZ2 LYS 7 HZ2 LYS 7 54.210 9.432 -11.028 65 HZ3 LYS 7 HZ3 LYS 7 53.013 10.562 -10.604 66 H GLY 8 HN GLY 8 55.324 11.814 -2.217 67 HA2 GLY 8 HA1 GLY 8 54.530 11.717 -0.146 68 HA3 GLY 8 HA2 GLY 8 54.090 13.435 -0.485 69 H ALA 9 HN ALA 9 52.993 10.080 -0.533 70 HA ALA 9 HA ALA 9 50.897 9.139 -0.379 71 HB1 ALA 9 HB1 ALA 9 49.324 10.198 1.147 72 HB2 ALA 9 HB2 ALA 9 50.185 11.749 1.007 73 HB3 ALA 9 HB3 ALA 9 50.973 10.360 1.794 74 H ILE 10 HN ILE 10 51.102 9.673 -2.807 75 HA ILE 10 HA ILE 10 49.987 10.165 -4.746 76 HB ILE 10 HB ILE 10 47.768 10.272 -2.731 77 HG12 ILE 10 HG12 ILE 10 48.533 8.312 -4.256 78 HG13 ILE 10 HG11 ILE 10 46.790 8.606 -4.084 79 HG21 ILE 10 HG21 ILE 10 47.106 12.331 -3.715 80 HG22 ILE 10 HG22 ILE 10 46.108 11.088 -4.500 81 HG23 ILE 10 HG23 ILE 10 47.506 11.773 -5.359 82 HD11 ILE 10 HD1 ILE 10 48.379 9.835 -6.374 83 HD12 ILE 10 HD2 ILE 10 46.623 9.584 -6.247 84 HD13 ILE 10 HD3 ILE 10 47.706 8.193 -6.477 85 H HIS 11 HN HIS 11 48.847 12.699 -2.444 86 HA HIS 11 HA HIS 11 50.476 14.715 -3.842 87 HB2 HIS 11 HB2 HIS 11 48.412 14.541 -5.256 88 HB3 HIS 11 HB1 HIS 11 47.437 14.947 -3.824 89 HD1 HIS 11 HD1 HIS 11 50.746 16.453 -5.086 90 HD2 HIS 11 HD2 HIS 11 46.785 17.606 -4.271 91 HE1 HIS 11 HE1 HIS 11 50.621 18.991 -5.352 92 H GLY 12 HN GLY 12 49.237 13.319 -1.180 93 HA2 GLY 12 HA1 GLY 12 50.175 14.700 0.852 94 HA3 GLY 12 HA2 GLY 12 48.903 15.852 0.391 95 H GLY 13 HN GLY 13 47.504 13.165 -0.546 96 HA2 GLY 13 HA1 GLY 13 46.855 11.692 1.793 97 HA3 GLY 13 HA2 GLY 13 45.692 13.027 1.647 98 H ARG 14 HN ARG 14 44.537 13.263 -0.388 99 HA ARG 14 HA ARG 14 44.481 10.982 -2.165 100 HB2 ARG 14 HB2 ARG 14 43.014 10.388 -0.090 101 HB3 ARG 14 HB1 ARG 14 41.856 11.530 -0.801 102 HG2 ARG 14 HG2 ARG 14 43.041 9.191 -2.366 103 HG3 ARG 14 HG1 ARG 14 41.551 9.054 -1.415 104 HD2 ARG 14 HD2 ARG 14 40.683 11.082 -2.758 105 HD3 ARG 14 HD1 ARG 14 42.062 10.801 -3.846 106 HE ARG 14 HE ARG 14 40.870 8.980 -4.725 107 HH11 ARG 14 HH11 ARG 14 39.739 6.999 -4.323 108 HH12 ARG 14 HH12 ARG 14 38.514 7.003 -3.099 109 HH21 ARG 14 HH21 ARG 14 39.314 10.169 -1.934 110 HH22 ARG 14 HH22 ARG 14 38.273 8.797 -1.746 111 H PHE 15 HN PHE 15 45.018 12.504 -3.712 112 HA PHE 15 HA PHE 15 44.579 14.144 -5.301 113 HB2 PHE 15 HB2 PHE 15 41.796 13.095 -4.687 114 HB3 PHE 15 HB1 PHE 15 41.984 14.510 -5.746 115 HD1 PHE 15 HD1 PHE 15 43.874 11.256 -5.288 116 HD2 PHE 15 HD2 PHE 15 41.851 13.917 -8.025 117 HE1 PHE 15 HE1 PHE 15 44.443 9.745 -7.180 118 HE2 PHE 15 HE2 PHE 15 42.425 12.402 -9.915 119 HZ PHE 15 HZ PHE 15 43.685 10.296 -9.487 120 H ILE 16 HN ILE 16 41.672 14.743 -3.311 121 HA ILE 16 HA ILE 16 42.340 17.541 -3.033 122 HB ILE 16 HB ILE 16 40.494 15.896 -1.236 123 HG12 ILE 16 HG12 ILE 16 40.008 17.244 -3.933 124 HG13 ILE 16 HG11 ILE 16 39.850 15.514 -3.557 125 HG21 ILE 16 HG21 ILE 16 39.446 18.006 -0.742 126 HG22 ILE 16 HG22 ILE 16 40.341 18.834 -2.037 127 HG23 ILE 16 HG23 ILE 16 41.193 18.284 -0.576 128 HD11 ILE 16 HD1 ILE 16 37.617 16.322 -3.511 129 HD12 ILE 16 HD2 ILE 16 38.082 17.817 -2.665 130 HD13 ILE 16 HD3 ILE 16 38.085 16.263 -1.796 131 H HIS 17 HN HIS 17 41.979 15.095 -0.382 132 HA HIS 17 HA HIS 17 44.705 15.385 0.505 133 HB2 HIS 17 HB2 HIS 17 43.849 17.711 1.046 134 HB3 HIS 17 HB1 HIS 17 42.726 16.955 2.196 135 HD1 HIS 17 HD1 HIS 17 43.735 15.789 4.315 136 HD2 HIS 17 HD2 HIS 17 46.529 17.820 1.917 137 HE1 HIS 17 HE1 HIS 17 45.903 15.963 5.654 138 H GLY 18 HN GLY 18 43.454 12.981 0.268 139 HA2 GLY 18 HA1 GLY 18 43.593 11.218 2.002 140 HA3 GLY 18 HA2 GLY 18 42.831 12.317 3.164 141 H MET 19 HN MET 19 41.002 13.400 1.322 142 HA MET 19 HA MET 19 39.313 12.399 -0.175 143 HB2 MET 19 HB2 MET 19 39.337 10.091 0.384 144 HB3 MET 19 HB1 MET 19 38.947 10.428 2.074 145 HG2 MET 19 HG2 MET 19 36.713 11.122 1.518 146 HG3 MET 19 HG1 MET 19 37.099 11.163 -0.219 147 HE1 MET 19 HE1 MET 19 36.339 7.552 2.500 148 HE2 MET 19 HE2 MET 19 35.502 9.121 2.575 149 HE3 MET 19 HE3 MET 19 37.240 9.021 2.940 150 H ILE 20 HN ILE 20 38.748 14.460 -0.140 151 HA ILE 20 HA ILE 20 37.391 16.255 0.458 152 HB ILE 20 HB ILE 20 35.852 14.457 2.387 153 HG12 ILE 20 HG12 ILE 20 35.871 13.067 0.462 154 HG13 ILE 20 HG11 ILE 20 34.339 13.948 0.348 155 HG21 ILE 20 HG21 ILE 20 35.146 16.731 2.487 156 HG22 ILE 20 HG22 ILE 20 33.931 15.910 1.490 157 HG23 ILE 20 HG23 ILE 20 35.176 16.920 0.724 158 HD11 ILE 20 HD1 ILE 20 36.870 14.300 -1.281 159 HD12 ILE 20 HD2 ILE 20 35.729 15.651 -1.118 160 HD13 ILE 20 HD3 ILE 20 35.193 14.121 -1.841 161 H GLN 21 HN GLN 21 39.690 14.984 1.851 162 HA GLN 21 HA GLN 21 41.103 15.848 3.547 163 HB2 GLN 21 HB2 GLN 21 39.352 17.858 3.759 164 HB3 GLN 21 HB1 GLN 21 38.759 16.935 5.158 165 HG2 GLN 21 HG2 GLN 21 40.404 18.449 6.020 166 HG3 GLN 21 HG1 GLN 21 41.190 16.853 5.969 167 HE21 GLN 21 HE21 GLN 21 40.548 19.172 3.256 168 HE22 GLN 21 HE22 GLN 21 42.253 19.350 2.824 169 H ASN 22 HN ASN 22 39.670 13.499 3.006 170 HA ASN 22 HA ASN 22 38.882 11.557 3.930 171 HB2 ASN 22 HB2 ASN 22 41.163 11.232 4.326 172 HB3 ASN 22 HB1 ASN 22 41.158 12.292 5.768 173 HD21 ASN 22 HD21 ASN 22 41.301 11.051 7.647 174 HD22 ASN 22 HD22 ASN 22 40.488 9.500 7.884 175 H HIS 23 HN HIS 23 36.999 12.989 4.225 176 HA HIS 23 HA HIS 23 36.265 13.732 6.941 177 HB2 HIS 23 HB2 HIS 23 35.258 14.684 4.838 178 HB3 HIS 23 HB1 HIS 23 34.429 13.127 4.590 179 HD1 HIS 23 HD1 HIS 23 32.318 12.674 5.913 180 HD2 HIS 23 HD2 HIS 23 34.366 16.108 7.214 181 HE1 HIS 23 HE1 HIS 23 30.834 13.839 7.637 182 H HIS 24 HN HIS 24 35.750 12.449 8.578 183 HA HIS 24 HA HIS 24 35.552 9.632 8.394 184 HB2 HIS 24 HB2 HIS 24 35.969 10.875 10.497 185 HB3 HIS 24 HB1 HIS 24 34.290 11.466 10.472 186 HD1 HIS 24 HD1 HIS 24 32.441 9.894 11.244 187 HD2 HIS 24 HD2 HIS 24 36.208 8.041 11.007 188 HE1 HIS 24 HE1 HIS 24 32.213 7.570 12.282 Start of MODEL 49 1 H1 PHE 1 HT1 PHE 1 60.383 3.073 3.382 2 H2 PHE 1 HT2 PHE 1 61.338 3.645 2.098 3 H3 PHE 1 HT3 PHE 1 60.729 2.059 2.069 4 HA PHE 1 HA PHE 1 59.625 4.205 0.882 5 HB2 PHE 1 HB2 PHE 1 58.410 1.569 1.799 6 HB3 PHE 1 HB1 PHE 1 57.636 2.677 0.639 7 HD1 PHE 1 HD1 PHE 1 58.500 2.944 -1.623 8 HD2 PHE 1 HD2 PHE 1 60.534 0.423 1.230 9 HE1 PHE 1 HE1 PHE 1 59.879 1.978 -3.460 10 HE2 PHE 1 HE2 PHE 1 61.913 -0.543 -0.608 11 HZ PHE 1 HZ PHE 1 61.582 0.232 -2.953 12 H LEU 2 HN LEU 2 58.185 5.761 1.322 13 HA LEU 2 HA LEU 2 57.393 6.161 4.115 14 HB2 LEU 2 HB2 LEU 2 56.376 7.749 1.736 15 HB3 LEU 2 HB1 LEU 2 56.640 8.292 3.411 16 HG LEU 2 HG LEU 2 58.790 7.518 1.388 17 HD11 LEU 2 HD11 LEU 2 58.106 10.166 2.743 18 HD12 LEU 2 HD12 LEU 2 57.738 9.749 1.053 19 HD13 LEU 2 HD13 LEU 2 59.429 9.894 1.586 20 HD21 LEU 2 HD21 LEU 2 60.320 8.403 3.266 21 HD22 LEU 2 HD22 LEU 2 59.589 6.804 3.537 22 HD23 LEU 2 HD23 LEU 2 58.916 8.239 4.347 23 H GLY 3 HN GLY 3 56.307 3.823 3.702 24 HA2 GLY 3 HA1 GLY 3 54.324 2.632 3.570 25 HA3 GLY 3 HA2 GLY 3 53.585 4.106 4.225 26 H ALA 4 HN ALA 4 55.214 4.316 1.171 27 HA ALA 4 HA ALA 4 52.954 3.630 -0.500 28 HB1 ALA 4 HB1 ALA 4 53.435 6.584 0.043 29 HB2 ALA 4 HB2 ALA 4 51.995 5.649 0.511 30 HB3 ALA 4 HB3 ALA 4 52.356 5.924 -1.209 31 H LEU 5 HN LEU 5 54.007 6.373 -1.915 32 HA LEU 5 HA LEU 5 56.659 5.421 -2.817 33 HB2 LEU 5 HB2 LEU 5 55.956 5.471 -5.229 34 HB3 LEU 5 HB1 LEU 5 55.294 4.102 -4.311 35 HG LEU 5 HG LEU 5 53.616 6.627 -4.429 36 HD11 LEU 5 HD11 LEU 5 53.854 4.662 -6.752 37 HD12 LEU 5 HD12 LEU 5 54.374 6.365 -6.771 38 HD13 LEU 5 HD13 LEU 5 52.648 5.964 -6.606 39 HD21 LEU 5 HD21 LEU 5 52.812 4.660 -3.165 40 HD22 LEU 5 HD22 LEU 5 52.996 3.637 -4.607 41 HD23 LEU 5 HD23 LEU 5 51.782 4.937 -4.586 42 H ILE 6 HN ILE 6 56.424 7.603 -1.415 43 HA ILE 6 HA ILE 6 56.562 9.947 -1.385 44 HB ILE 6 HB ILE 6 57.644 9.868 -4.243 45 HG12 ILE 6 HG12 ILE 6 59.003 8.652 -1.792 46 HG13 ILE 6 HG11 ILE 6 58.519 7.793 -3.274 47 HG21 ILE 6 HG21 ILE 6 59.094 11.575 -3.453 48 HG22 ILE 6 HG22 ILE 6 58.885 11.101 -1.750 49 HG23 ILE 6 HG23 ILE 6 57.564 11.917 -2.615 50 HD11 ILE 6 HD1 ILE 6 60.690 9.895 -2.949 51 HD12 ILE 6 HD2 ILE 6 60.044 9.437 -4.544 52 HD13 ILE 6 HD3 ILE 6 60.856 8.222 -3.528 53 H LYS 7 HN LYS 7 56.575 11.509 -4.053 54 HA LYS 7 HA LYS 7 54.901 12.910 -4.879 55 HB2 LYS 7 HB2 LYS 7 53.086 10.448 -4.781 56 HB3 LYS 7 HB1 LYS 7 52.844 11.906 -5.772 57 HG2 LYS 7 HG2 LYS 7 55.071 11.378 -6.898 58 HG3 LYS 7 HG1 LYS 7 55.034 9.809 -6.058 59 HD2 LYS 7 HD2 LYS 7 52.832 9.313 -7.102 60 HD3 LYS 7 HD1 LYS 7 52.903 10.866 -7.969 61 HE2 LYS 7 HE2 LYS 7 55.046 8.713 -8.202 62 HE3 LYS 7 HE1 LYS 7 53.675 8.862 -9.328 63 HZ1 LYS 7 HZ1 LYS 7 54.506 11.335 -9.409 64 HZ2 LYS 7 HZ2 LYS 7 55.223 10.140 -10.380 65 HZ3 LYS 7 HZ3 LYS 7 55.982 10.641 -8.945 66 H GLY 8 HN GLY 8 55.601 12.139 -2.380 67 HA2 GLY 8 HA1 GLY 8 55.163 11.995 -0.210 68 HA3 GLY 8 HA2 GLY 8 54.468 13.641 -0.479 69 H ALA 9 HN ALA 9 53.811 10.186 -0.317 70 HA ALA 9 HA ALA 9 51.943 8.993 0.281 71 HB1 ALA 9 HB1 ALA 9 50.471 9.904 1.915 72 HB2 ALA 9 HB2 ALA 9 50.800 11.574 1.394 73 HB3 ALA 9 HB3 ALA 9 52.059 10.638 2.235 74 H ILE 10 HN ILE 10 51.715 9.002 -2.116 75 HA ILE 10 HA ILE 10 50.325 9.022 -3.949 76 HB ILE 10 HB ILE 10 48.336 9.566 -1.733 77 HG12 ILE 10 HG12 ILE 10 47.243 7.583 -2.734 78 HG13 ILE 10 HG11 ILE 10 48.441 7.590 -4.050 79 HG21 ILE 10 HG21 ILE 10 47.407 11.159 -3.224 80 HG22 ILE 10 HG22 ILE 10 46.491 9.668 -3.542 81 HG23 ILE 10 HG23 ILE 10 47.787 10.170 -4.655 82 HD11 ILE 10 HD1 ILE 10 50.249 7.140 -2.513 83 HD12 ILE 10 HD2 ILE 10 48.948 5.986 -2.135 84 HD13 ILE 10 HD3 ILE 10 49.197 7.416 -1.105 85 H HIS 11 HN HIS 11 49.153 11.894 -2.129 86 HA HIS 11 HA HIS 11 50.518 13.688 -4.035 87 HB2 HIS 11 HB2 HIS 11 48.373 13.063 -5.195 88 HB3 HIS 11 HB1 HIS 11 47.479 13.716 -3.801 89 HD1 HIS 11 HD1 HIS 11 50.654 15.278 -5.213 90 HD2 HIS 11 HD2 HIS 11 46.519 16.036 -5.072 91 HE1 HIS 11 HE1 HIS 11 50.281 17.635 -6.125 92 H GLY 12 HN GLY 12 49.596 12.767 -1.076 93 HA2 GLY 12 HA1 GLY 12 50.361 14.175 0.799 94 HA3 GLY 12 HA2 GLY 12 49.650 15.588 -0.002 95 H GLY 13 HN GLY 13 48.204 12.351 0.296 96 HA2 GLY 13 HA1 GLY 13 46.133 11.754 1.156 97 HA3 GLY 13 HA2 GLY 13 46.669 12.649 2.590 98 H ARG 14 HN ARG 14 45.168 13.086 -0.630 99 HA ARG 14 HA ARG 14 43.073 14.747 0.526 100 HB2 ARG 14 HB2 ARG 14 45.067 16.331 0.363 101 HB3 ARG 14 HB1 ARG 14 44.988 16.118 -1.397 102 HG2 ARG 14 HG2 ARG 14 43.718 18.091 -0.964 103 HG3 ARG 14 HG1 ARG 14 42.515 16.817 -1.242 104 HD2 ARG 14 HD2 ARG 14 41.919 16.707 1.043 105 HD3 ARG 14 HD1 ARG 14 43.451 17.431 1.586 106 HE ARG 14 HE ARG 14 41.071 18.887 0.821 107 HH11 ARG 14 HH11 ARG 14 43.052 19.953 2.743 108 HH12 ARG 14 HH12 ARG 14 43.834 21.203 1.834 109 HH21 ARG 14 HH21 ARG 14 42.706 20.044 -1.234 110 HH22 ARG 14 HH22 ARG 14 43.637 21.255 -0.416 111 H PHE 15 HN PHE 15 44.862 13.613 -2.327 112 HA PHE 15 HA PHE 15 42.913 14.135 -4.305 113 HB2 PHE 15 HB2 PHE 15 45.282 13.216 -4.603 114 HB3 PHE 15 HB1 PHE 15 44.616 11.618 -4.193 115 HD1 PHE 15 HD1 PHE 15 43.803 10.276 -5.970 116 HD2 PHE 15 HD2 PHE 15 43.882 14.569 -6.433 117 HE1 PHE 15 HE1 PHE 15 43.003 10.040 -8.315 118 HE2 PHE 15 HE2 PHE 15 43.081 14.329 -8.778 119 HZ PHE 15 HZ PHE 15 42.575 12.069 -9.696 120 H ILE 16 HN ILE 16 43.264 11.327 -2.111 121 HA ILE 16 HA ILE 16 40.367 10.837 -2.291 122 HB ILE 16 HB ILE 16 40.719 8.388 -2.909 123 HG12 ILE 16 HG12 ILE 16 43.441 9.496 -3.759 124 HG13 ILE 16 HG11 ILE 16 43.154 8.262 -2.514 125 HG21 ILE 16 HG21 ILE 16 41.577 10.279 -5.138 126 HG22 ILE 16 HG22 ILE 16 39.918 10.264 -4.495 127 HG23 ILE 16 HG23 ILE 16 40.585 8.809 -5.262 128 HD11 ILE 16 HD1 ILE 16 42.801 8.035 -5.519 129 HD12 ILE 16 HD2 ILE 16 41.977 6.911 -4.409 130 HD13 ILE 16 HD3 ILE 16 43.754 7.002 -4.429 131 H HIS 17 HN HIS 17 41.351 11.674 -0.097 132 HA HIS 17 HA HIS 17 41.152 9.389 1.711 133 HB2 HIS 17 HB2 HIS 17 43.583 9.318 1.056 134 HB3 HIS 17 HB1 HIS 17 43.761 10.960 1.721 135 HD1 HIS 17 HD1 HIS 17 41.785 7.983 3.134 136 HD2 HIS 17 HD2 HIS 17 44.938 10.554 4.192 137 HE1 HIS 17 HE1 HIS 17 42.480 7.395 5.521 138 H GLY 18 HN GLY 18 41.206 12.677 0.854 139 HA2 GLY 18 HA1 GLY 18 40.052 13.417 3.512 140 HA3 GLY 18 HA2 GLY 18 41.371 14.392 2.829 141 H MET 19 HN MET 19 38.563 12.765 1.385 142 HA MET 19 HA MET 19 36.968 15.106 0.857 143 HB2 MET 19 HB2 MET 19 38.812 15.645 -0.541 144 HB3 MET 19 HB1 MET 19 38.725 14.057 -1.286 145 HG2 MET 19 HG2 MET 19 36.580 14.557 -2.295 146 HG3 MET 19 HG1 MET 19 36.441 16.059 -1.356 147 HE1 MET 19 HE1 MET 19 36.478 15.088 -4.611 148 HE2 MET 19 HE2 MET 19 37.034 16.601 -5.363 149 HE3 MET 19 HE3 MET 19 35.792 16.646 -4.090 150 H ILE 20 HN ILE 20 38.151 12.115 -0.778 151 HA ILE 20 HA ILE 20 35.415 11.236 -1.373 152 HB ILE 20 HB ILE 20 38.141 9.846 -1.285 153 HG12 ILE 20 HG12 ILE 20 37.805 9.587 -3.662 154 HG13 ILE 20 HG11 ILE 20 36.094 10.053 -3.537 155 HG21 ILE 20 HG21 ILE 20 36.862 7.795 -2.161 156 HG22 ILE 20 HG22 ILE 20 35.381 8.585 -1.568 157 HG23 ILE 20 HG23 ILE 20 36.673 8.144 -0.426 158 HD11 ILE 20 HD1 ILE 20 36.631 12.333 -3.083 159 HD12 ILE 20 HD2 ILE 20 37.732 11.857 -4.398 160 HD13 ILE 20 HD3 ILE 20 38.331 11.949 -2.726 161 H GLN 21 HN GLN 21 37.384 11.847 1.180 162 HA GLN 21 HA GLN 21 35.818 10.220 3.125 163 HB2 GLN 21 HB2 GLN 21 38.303 9.680 2.954 164 HB3 GLN 21 HB1 GLN 21 38.624 11.348 3.484 165 HG2 GLN 21 HG2 GLN 21 37.211 10.916 5.522 166 HG3 GLN 21 HG1 GLN 21 37.064 9.217 5.010 167 HE21 GLN 21 HE21 GLN 21 39.102 7.914 4.882 168 HE22 GLN 21 HE22 GLN 21 40.484 8.396 5.873 169 H ASN 22 HN ASN 22 37.027 13.509 1.977 170 HA ASN 22 HA ASN 22 35.538 14.599 4.449 171 HB2 ASN 22 HB2 ASN 22 37.700 16.023 2.870 172 HB3 ASN 22 HB1 ASN 22 36.901 16.573 4.353 173 HD21 ASN 22 HD21 ASN 22 39.649 16.400 4.500 174 HD22 ASN 22 HD22 ASN 22 40.117 14.980 5.442 175 H HIS 23 HN HIS 23 34.505 13.805 1.717 176 HA HIS 23 HA HIS 23 33.009 14.666 0.169 177 HB2 HIS 23 HB2 HIS 23 31.856 15.221 2.358 178 HB3 HIS 23 HB1 HIS 23 32.542 16.857 2.228 179 HD1 HIS 23 HD1 HIS 23 30.921 14.570 -0.414 180 HD2 HIS 23 HD2 HIS 23 30.431 18.381 1.291 181 HE1 HIS 23 HE1 HIS 23 29.045 15.740 -1.692 182 H HIS 24 HN HIS 24 32.429 16.547 -1.230 183 HA HIS 24 HA HIS 24 34.825 17.769 -2.231 184 HB2 HIS 24 HB2 HIS 24 32.822 17.303 -3.618 185 HB3 HIS 24 HB1 HIS 24 31.922 18.548 -2.719 186 HD1 HIS 24 HD1 HIS 24 34.764 18.089 -5.194 187 HD2 HIS 24 HD2 HIS 24 32.671 21.228 -3.336 188 HE1 HIS 24 HE1 HIS 24 35.384 20.247 -6.415 Start of MODEL 50 1 H1 PHE 1 HT1 PHE 1 58.085 3.364 -13.146 2 H2 PHE 1 HT2 PHE 1 56.722 4.311 -13.511 3 H3 PHE 1 HT3 PHE 1 57.128 2.984 -14.492 4 HA PHE 1 HA PHE 1 55.241 2.751 -12.823 5 HB2 PHE 1 HB2 PHE 1 57.522 0.737 -12.964 6 HB3 PHE 1 HB1 PHE 1 55.845 0.382 -12.483 7 HD1 PHE 1 HD1 PHE 1 58.129 0.938 -15.284 8 HD2 PHE 1 HD2 PHE 1 53.970 0.736 -14.143 9 HE1 PHE 1 HE1 PHE 1 57.485 0.669 -17.675 10 HE2 PHE 1 HE2 PHE 1 53.328 0.465 -16.535 11 HZ PHE 1 HZ PHE 1 55.079 0.522 -18.306 12 H LEU 2 HN LEU 2 55.608 4.389 -11.140 13 HA LEU 2 HA LEU 2 57.518 3.837 -9.017 14 HB2 LEU 2 HB2 LEU 2 55.140 5.697 -9.319 15 HB3 LEU 2 HB1 LEU 2 56.018 5.571 -7.784 16 HG LEU 2 HG LEU 2 56.748 7.450 -9.372 17 HD11 LEU 2 HD11 LEU 2 59.017 7.323 -8.715 18 HD12 LEU 2 HD12 LEU 2 59.049 5.549 -8.784 19 HD13 LEU 2 HD13 LEU 2 58.168 6.373 -7.479 20 HD21 LEU 2 HD21 LEU 2 58.102 5.180 -10.893 21 HD22 LEU 2 HD22 LEU 2 58.114 6.914 -11.285 22 HD23 LEU 2 HD23 LEU 2 56.608 5.979 -11.438 23 H GLY 3 HN GLY 3 57.242 2.860 -7.058 24 HA2 GLY 3 HA1 GLY 3 55.178 0.847 -6.900 25 HA3 GLY 3 HA2 GLY 3 56.357 1.255 -5.639 26 H ALA 4 HN ALA 4 54.767 4.040 -6.639 27 HA ALA 4 HA ALA 4 53.227 5.390 -5.552 28 HB1 ALA 4 HB1 ALA 4 51.078 4.429 -5.092 29 HB2 ALA 4 HB2 ALA 4 51.776 2.800 -4.927 30 HB3 ALA 4 HB3 ALA 4 51.734 3.595 -6.520 31 H LEU 5 HN LEU 5 54.980 5.750 -3.956 32 HA LEU 5 HA LEU 5 53.907 5.353 -1.266 33 HB2 LEU 5 HB2 LEU 5 56.234 4.296 -0.543 34 HB3 LEU 5 HB1 LEU 5 54.936 3.252 -1.167 35 HG LEU 5 HG LEU 5 55.932 3.257 -3.399 36 HD11 LEU 5 HD11 LEU 5 57.854 5.259 -2.147 37 HD12 LEU 5 HD12 LEU 5 56.872 5.442 -3.621 38 HD13 LEU 5 HD13 LEU 5 58.270 4.345 -3.617 39 HD21 LEU 5 HD21 LEU 5 57.996 2.034 -2.889 40 HD22 LEU 5 HD22 LEU 5 56.759 1.639 -1.671 41 HD23 LEU 5 HD23 LEU 5 58.069 2.777 -1.274 42 H ILE 6 HN ILE 6 54.901 7.380 -3.324 43 HA ILE 6 HA ILE 6 56.386 9.046 -1.319 44 HB ILE 6 HB ILE 6 58.027 7.738 -2.955 45 HG12 ILE 6 HG12 ILE 6 59.320 10.091 -3.273 46 HG13 ILE 6 HG11 ILE 6 58.025 10.679 -2.206 47 HG21 ILE 6 HG21 ILE 6 56.446 8.656 -4.970 48 HG22 ILE 6 HG22 ILE 6 58.177 8.317 -5.187 49 HG23 ILE 6 HG23 ILE 6 57.630 9.984 -4.925 50 HD11 ILE 6 HD1 ILE 6 58.625 8.656 -0.686 51 HD12 ILE 6 HD2 ILE 6 59.758 10.027 -0.722 52 HD13 ILE 6 HD3 ILE 6 60.117 8.552 -1.649 53 H LYS 7 HN LYS 7 57.001 10.993 -3.584 54 HA LYS 7 HA LYS 7 55.890 12.969 -4.112 55 HB2 LYS 7 HB2 LYS 7 53.499 11.113 -4.602 56 HB3 LYS 7 HB1 LYS 7 53.587 12.820 -5.091 57 HG2 LYS 7 HG2 LYS 7 55.286 12.397 -6.703 58 HG3 LYS 7 HG1 LYS 7 55.674 10.805 -6.009 59 HD2 LYS 7 HD2 LYS 7 54.384 10.524 -8.084 60 HD3 LYS 7 HD1 LYS 7 53.420 9.981 -6.690 61 HE2 LYS 7 HE2 LYS 7 52.089 11.971 -6.707 62 HE3 LYS 7 HE1 LYS 7 53.210 12.800 -7.814 63 HZ1 LYS 7 HZ1 LYS 7 52.657 11.058 -9.480 64 HZ2 LYS 7 HZ2 LYS 7 51.341 12.048 -9.060 65 HZ3 LYS 7 HZ3 LYS 7 51.459 10.475 -8.430 66 H GLY 8 HN GLY 8 56.159 11.542 -1.828 67 HA2 GLY 8 HA1 GLY 8 55.562 11.126 0.268 68 HA3 GLY 8 HA2 GLY 8 55.401 12.924 0.337 69 H ALA 9 HN ALA 9 53.690 9.939 -0.502 70 HA ALA 9 HA ALA 9 51.553 9.232 -0.048 71 HB1 ALA 9 HB1 ALA 9 50.928 11.805 1.429 72 HB2 ALA 9 HB2 ALA 9 51.970 10.565 2.161 73 HB3 ALA 9 HB3 ALA 9 50.297 10.166 1.706 74 H ILE 10 HN ILE 10 51.574 9.623 -2.384 75 HA ILE 10 HA ILE 10 50.862 10.699 -4.324 76 HB ILE 10 HB ILE 10 48.329 10.957 -4.411 77 HG12 ILE 10 HG12 ILE 10 48.226 11.401 -1.829 78 HG13 ILE 10 HG11 ILE 10 46.947 10.452 -2.584 79 HG21 ILE 10 HG21 ILE 10 49.800 8.416 -3.683 80 HG22 ILE 10 HG22 ILE 10 49.054 8.900 -5.219 81 HG23 ILE 10 HG23 ILE 10 48.030 8.365 -3.869 82 HD11 ILE 10 HD1 ILE 10 48.167 9.617 -0.328 83 HD12 ILE 10 HD2 ILE 10 49.305 8.918 -1.493 84 HD13 ILE 10 HD3 ILE 10 47.593 8.469 -1.554 85 H HIS 11 HN HIS 11 48.177 12.485 -3.497 86 HA HIS 11 HA HIS 11 49.662 14.982 -3.969 87 HB2 HIS 11 HB2 HIS 11 46.726 14.336 -3.486 88 HB3 HIS 11 HB1 HIS 11 47.334 15.993 -3.716 89 HD1 HIS 11 HD1 HIS 11 46.191 16.344 -6.009 90 HD2 HIS 11 HD2 HIS 11 48.875 13.111 -5.902 91 HE1 HIS 11 HE1 HIS 11 46.542 15.564 -8.417 92 H GLY 12 HN GLY 12 50.436 13.583 -1.582 93 HA2 GLY 12 HA1 GLY 12 50.860 14.066 0.640 94 HA3 GLY 12 HA2 GLY 12 50.424 15.746 0.269 95 H GLY 13 HN GLY 13 48.506 12.728 0.166 96 HA2 GLY 13 HA1 GLY 13 46.572 12.147 1.298 97 HA3 GLY 13 HA2 GLY 13 47.068 13.258 2.592 98 H ARG 14 HN ARG 14 45.864 13.374 -0.792 99 HA ARG 14 HA ARG 14 43.589 15.013 0.033 100 HB2 ARG 14 HB2 ARG 14 45.298 16.764 0.033 101 HB3 ARG 14 HB1 ARG 14 45.847 16.271 -1.584 102 HG2 ARG 14 HG2 ARG 14 44.363 18.290 -1.631 103 HG3 ARG 14 HG1 ARG 14 43.699 16.936 -2.567 104 HD2 ARG 14 HD2 ARG 14 42.031 16.480 -0.952 105 HD3 ARG 14 HD1 ARG 14 42.919 17.319 0.345 106 HE ARG 14 HE ARG 14 41.103 18.559 -1.565 107 HH11 ARG 14 HH11 ARG 14 43.916 18.937 0.394 108 HH12 ARG 14 HH12 ARG 14 43.757 20.657 0.522 109 HH21 ARG 14 HH21 ARG 14 40.888 20.804 -1.418 110 HH22 ARG 14 HH22 ARG 14 42.044 21.714 -0.503 111 H PHE 15 HN PHE 15 45.490 13.210 -2.219 112 HA PHE 15 HA PHE 15 44.207 13.629 -4.672 113 HB2 PHE 15 HB2 PHE 15 46.097 12.005 -4.167 114 HB3 PHE 15 HB1 PHE 15 44.861 10.874 -3.568 115 HD1 PHE 15 HD1 PHE 15 45.612 13.050 -6.556 116 HD2 PHE 15 HD2 PHE 15 43.854 9.381 -5.108 117 HE1 PHE 15 HE1 PHE 15 45.142 12.348 -8.899 118 HE2 PHE 15 HE2 PHE 15 43.387 8.681 -7.452 119 HZ PHE 15 HZ PHE 15 44.074 10.142 -9.349 120 H ILE 16 HN ILE 16 42.902 12.353 -1.735 121 HA ILE 16 HA ILE 16 40.270 11.938 -3.107 122 HB ILE 16 HB ILE 16 41.289 9.998 -0.985 123 HG12 ILE 16 HG12 ILE 16 41.377 9.755 -4.027 124 HG13 ILE 16 HG11 ILE 16 42.776 9.810 -2.930 125 HG21 ILE 16 HG21 ILE 16 39.395 8.674 -1.651 126 HG22 ILE 16 HG22 ILE 16 39.108 9.683 -3.088 127 HG23 ILE 16 HG23 ILE 16 38.793 10.337 -1.463 128 HD11 ILE 16 HD1 ILE 16 42.497 7.496 -3.356 129 HD12 ILE 16 HD2 ILE 16 40.724 7.601 -3.277 130 HD13 ILE 16 HD3 ILE 16 41.690 7.723 -1.786 131 H HIS 17 HN HIS 17 41.509 11.343 0.228 132 HA HIS 17 HA HIS 17 40.354 13.815 1.242 133 HB2 HIS 17 HB2 HIS 17 38.853 11.193 1.585 134 HB3 HIS 17 HB1 HIS 17 38.721 12.493 2.791 135 HD1 HIS 17 HD1 HIS 17 37.606 11.452 -0.620 136 HD2 HIS 17 HD2 HIS 17 37.458 14.894 1.791 137 HE1 HIS 17 HE1 HIS 17 35.957 13.073 -1.706 138 H GLY 18 HN GLY 18 42.632 13.786 1.845 139 HA2 GLY 18 HA1 GLY 18 44.282 13.492 3.454 140 HA3 GLY 18 HA2 GLY 18 43.013 12.955 4.555 141 H MET 19 HN MET 19 43.676 11.340 1.516 142 HA MET 19 HA MET 19 44.548 9.239 1.271 143 HB2 MET 19 HB2 MET 19 46.374 10.222 2.878 144 HB3 MET 19 HB1 MET 19 45.651 9.062 4.013 145 HG2 MET 19 HG2 MET 19 46.064 7.220 2.418 146 HG3 MET 19 HG1 MET 19 46.763 8.374 1.256 147 HE1 MET 19 HE1 MET 19 48.387 6.038 1.779 148 HE2 MET 19 HE2 MET 19 49.988 6.633 2.282 149 HE3 MET 19 HE3 MET 19 49.103 7.455 0.974 150 H ILE 20 HN ILE 20 42.180 10.063 3.197 151 HA ILE 20 HA ILE 20 40.489 8.830 4.205 152 HB ILE 20 HB ILE 20 41.598 6.317 2.861 153 HG12 ILE 20 HG12 ILE 20 41.225 8.305 1.234 154 HG13 ILE 20 HG11 ILE 20 40.400 6.781 0.862 155 HG21 ILE 20 HG21 ILE 20 39.121 5.729 2.879 156 HG22 ILE 20 HG22 ILE 20 38.872 7.151 3.917 157 HG23 ILE 20 HG23 ILE 20 39.906 5.814 4.472 158 HD11 ILE 20 HD1 ILE 20 38.991 8.925 0.666 159 HD12 ILE 20 HD2 ILE 20 39.046 9.005 2.439 160 HD13 ILE 20 HD3 ILE 20 38.294 7.608 1.636 161 H GLN 21 HN GLN 21 43.810 8.324 4.375 162 HA GLN 21 HA GLN 21 43.541 6.716 6.946 163 HB2 GLN 21 HB2 GLN 21 44.914 5.765 4.985 164 HB3 GLN 21 HB1 GLN 21 46.054 7.099 5.270 165 HG2 GLN 21 HG2 GLN 21 46.500 6.337 7.526 166 HG3 GLN 21 HG1 GLN 21 45.189 5.135 7.440 167 HE21 GLN 21 HE21 GLN 21 48.525 5.850 6.491 168 HE22 GLN 21 HE22 GLN 21 48.849 4.263 5.786 169 H ASN 22 HN ASN 22 43.843 9.823 5.711 170 HA ASN 22 HA ASN 22 45.267 10.714 8.203 171 HB2 ASN 22 HB2 ASN 22 46.340 10.944 5.619 172 HB3 ASN 22 HB1 ASN 22 45.484 12.493 5.799 173 HD21 ASN 22 HD21 ASN 22 46.484 14.111 7.045 174 HD22 ASN 22 HD22 ASN 22 47.926 13.834 8.029 175 H HIS 23 HN HIS 23 42.838 10.946 5.661 176 HA HIS 23 HA HIS 23 40.944 12.351 5.517 177 HB2 HIS 23 HB2 HIS 23 39.555 12.326 7.612 178 HB3 HIS 23 HB1 HIS 23 40.148 10.724 7.115 179 HD1 HIS 23 HD1 HIS 23 40.575 13.411 9.745 180 HD2 HIS 23 HD2 HIS 23 42.161 9.625 8.830 181 HE1 HIS 23 HE1 HIS 23 41.879 12.617 11.793 182 H HIS 24 HN HIS 24 41.749 14.360 4.949 183 HA HIS 24 HA HIS 24 42.274 16.603 5.241 184 HB2 HIS 24 HB2 HIS 24 39.910 16.532 6.083 185 HB3 HIS 24 HB1 HIS 24 40.549 16.336 7.734 186 HD1 HIS 24 HD1 HIS 24 42.872 18.418 5.912 187 HD2 HIS 24 HD2 HIS 24 39.223 19.067 7.899 188 HE1 HIS 24 HE1 HIS 24 42.678 20.928 6.347 Start of MODEL 51 1 H1 PHE 1 HT1 PHE 1 59.705 3.749 -10.887 2 H2 PHE 1 HT2 PHE 1 59.755 4.175 -12.532 3 H3 PHE 1 HT3 PHE 1 60.198 2.610 -12.040 4 HA PHE 1 HA PHE 1 57.714 3.537 -12.822 5 HB2 PHE 1 HB2 PHE 1 58.802 1.296 -13.216 6 HB3 PHE 1 HB1 PHE 1 58.462 0.893 -11.517 7 HD1 PHE 1 HD1 PHE 1 56.774 2.134 -14.648 8 HD2 PHE 1 HD2 PHE 1 56.357 -0.043 -10.942 9 HE1 PHE 1 HE1 PHE 1 54.451 1.497 -15.282 10 HE2 PHE 1 HE2 PHE 1 54.034 -0.681 -11.580 11 HZ PHE 1 HZ PHE 1 53.092 0.063 -13.763 12 H LEU 2 HN LEU 2 59.109 3.654 -9.744 13 HA LEU 2 HA LEU 2 56.844 2.954 -8.109 14 HB2 LEU 2 HB2 LEU 2 58.954 5.025 -7.411 15 HB3 LEU 2 HB1 LEU 2 58.043 3.964 -6.312 16 HG LEU 2 HG LEU 2 60.139 3.097 -8.352 17 HD11 LEU 2 HD11 LEU 2 61.444 2.471 -6.387 18 HD12 LEU 2 HD12 LEU 2 60.103 2.923 -5.307 19 HD13 LEU 2 HD13 LEU 2 60.962 4.177 -6.234 20 HD21 LEU 2 HD21 LEU 2 59.773 0.832 -7.132 21 HD22 LEU 2 HD22 LEU 2 58.532 1.331 -8.304 22 HD23 LEU 2 HD23 LEU 2 58.239 1.530 -6.558 23 H GLY 3 HN GLY 3 55.245 4.197 -7.161 24 HA2 GLY 3 HA1 GLY 3 55.049 7.043 -7.521 25 HA3 GLY 3 HA2 GLY 3 54.068 6.209 -8.742 26 H ALA 4 HN ALA 4 54.758 6.000 -5.220 27 HA ALA 4 HA ALA 4 51.990 6.459 -4.525 28 HB1 ALA 4 HB1 ALA 4 51.484 4.204 -3.643 29 HB2 ALA 4 HB2 ALA 4 52.996 3.597 -4.360 30 HB3 ALA 4 HB3 ALA 4 51.689 4.199 -5.410 31 H LEU 5 HN LEU 5 54.992 4.755 -3.552 32 HA LEU 5 HA LEU 5 54.632 5.233 -0.734 33 HB2 LEU 5 HB2 LEU 5 57.008 4.542 -2.491 34 HB3 LEU 5 HB1 LEU 5 57.222 4.859 -0.754 35 HG LEU 5 HG LEU 5 55.582 3.088 -0.216 36 HD11 LEU 5 HD11 LEU 5 54.942 1.538 -2.190 37 HD12 LEU 5 HD12 LEU 5 55.409 2.890 -3.250 38 HD13 LEU 5 HD13 LEU 5 54.086 3.092 -2.076 39 HD21 LEU 5 HD21 LEU 5 57.701 2.120 -2.189 40 HD22 LEU 5 HD22 LEU 5 56.970 1.177 -0.867 41 HD23 LEU 5 HD23 LEU 5 58.023 2.564 -0.496 42 H ILE 6 HN ILE 6 55.441 7.288 -3.351 43 HA ILE 6 HA ILE 6 56.275 9.446 -1.378 44 HB ILE 6 HB ILE 6 57.340 9.535 -4.241 45 HG12 ILE 6 HG12 ILE 6 59.471 8.318 -3.131 46 HG13 ILE 6 HG11 ILE 6 58.230 7.550 -2.118 47 HG21 ILE 6 HG21 ILE 6 58.732 10.221 -1.624 48 HG22 ILE 6 HG22 ILE 6 57.576 11.335 -2.390 49 HG23 ILE 6 HG23 ILE 6 59.056 10.856 -3.254 50 HD11 ILE 6 HD1 ILE 6 58.428 6.063 -3.946 51 HD12 ILE 6 HD2 ILE 6 58.616 7.382 -5.124 52 HD13 ILE 6 HD3 ILE 6 57.023 7.050 -4.409 53 H LYS 7 HN LYS 7 56.510 11.239 -3.847 54 HA LYS 7 HA LYS 7 55.037 12.910 -4.542 55 HB2 LYS 7 HB2 LYS 7 54.042 10.847 -5.870 56 HB3 LYS 7 HB1 LYS 7 52.795 10.840 -4.608 57 HG2 LYS 7 HG2 LYS 7 51.777 12.237 -6.191 58 HG3 LYS 7 HG1 LYS 7 52.608 13.437 -5.187 59 HD2 LYS 7 HD2 LYS 7 53.168 14.063 -7.410 60 HD3 LYS 7 HD1 LYS 7 54.603 13.193 -6.832 61 HE2 LYS 7 HE2 LYS 7 54.137 11.289 -8.157 62 HE3 LYS 7 HE1 LYS 7 52.415 11.698 -8.324 63 HZ1 LYS 7 HZ1 LYS 7 53.697 12.150 -10.342 64 HZ2 LYS 7 HZ2 LYS 7 54.665 13.257 -9.491 65 HZ3 LYS 7 HZ3 LYS 7 53.007 13.563 -9.704 66 H GLY 8 HN GLY 8 55.652 11.839 -2.134 67 HA2 GLY 8 HA1 GLY 8 55.179 11.534 0.024 68 HA3 GLY 8 HA2 GLY 8 54.725 13.278 -0.083 69 H ALA 9 HN ALA 9 53.469 10.000 -0.655 70 HA ALA 9 HA ALA 9 51.478 9.026 -0.031 71 HB1 ALA 9 HB1 ALA 9 50.194 9.869 1.739 72 HB2 ALA 9 HB2 ALA 9 50.511 11.565 1.307 73 HB3 ALA 9 HB3 ALA 9 51.791 10.582 2.056 74 H ILE 10 HN ILE 10 51.382 9.305 -2.403 75 HA ILE 10 HA ILE 10 50.431 10.175 -4.359 76 HB ILE 10 HB ILE 10 47.850 9.811 -4.282 77 HG12 ILE 10 HG12 ILE 10 47.947 10.017 -1.630 78 HG13 ILE 10 HG11 ILE 10 46.839 8.872 -2.390 79 HG21 ILE 10 HG21 ILE 10 48.183 7.312 -4.221 80 HG22 ILE 10 HG22 ILE 10 49.855 7.600 -3.678 81 HG23 ILE 10 HG23 ILE 10 49.321 8.188 -5.267 82 HD11 ILE 10 HD1 ILE 10 49.616 8.081 -1.395 83 HD12 ILE 10 HD2 ILE 10 48.297 7.006 -1.902 84 HD13 ILE 10 HD3 ILE 10 48.144 7.960 -0.413 85 H HIS 11 HN HIS 11 47.488 11.176 -2.830 86 HA HIS 11 HA HIS 11 47.140 13.563 -4.079 87 HB2 HIS 11 HB2 HIS 11 45.786 14.304 -2.157 88 HB3 HIS 11 HB1 HIS 11 45.509 12.585 -2.530 89 HD1 HIS 11 HD1 HIS 11 46.180 10.839 -0.789 90 HD2 HIS 11 HD2 HIS 11 47.450 14.724 0.202 91 HE1 HIS 11 HE1 HIS 11 47.017 10.774 1.624 92 H GLY 12 HN GLY 12 49.633 12.973 -1.726 93 HA2 GLY 12 HA1 GLY 12 50.088 15.444 -0.554 94 HA3 GLY 12 HA2 GLY 12 51.387 14.373 -1.111 95 H GLY 13 HN GLY 13 50.046 14.761 -3.909 96 HA2 GLY 13 HA1 GLY 13 50.761 17.557 -4.513 97 HA3 GLY 13 HA2 GLY 13 51.872 16.334 -5.168 98 H ARG 14 HN ARG 14 49.468 14.435 -5.287 99 HA ARG 14 HA ARG 14 48.772 15.090 -8.050 100 HB2 ARG 14 HB2 ARG 14 49.022 12.752 -6.695 101 HB3 ARG 14 HB1 ARG 14 47.270 12.967 -6.518 102 HG2 ARG 14 HG2 ARG 14 48.816 12.979 -9.156 103 HG3 ARG 14 HG1 ARG 14 47.819 11.642 -8.541 104 HD2 ARG 14 HD2 ARG 14 45.908 13.470 -8.433 105 HD3 ARG 14 HD1 ARG 14 46.945 14.345 -9.588 106 HE ARG 14 HE ARG 14 46.570 11.595 -10.409 107 HH11 ARG 14 HH11 ARG 14 46.248 12.406 -12.757 108 HH12 ARG 14 HH12 ARG 14 44.701 13.146 -13.001 109 HH21 ARG 14 HH21 ARG 14 44.058 13.539 -9.616 110 HH22 ARG 14 HH22 ARG 14 43.461 13.787 -11.223 111 H PHE 15 HN PHE 15 47.420 15.613 -4.877 112 HA PHE 15 HA PHE 15 44.702 15.817 -5.201 113 HB2 PHE 15 HB2 PHE 15 46.008 16.461 -3.161 114 HB3 PHE 15 HB1 PHE 15 46.405 18.006 -3.950 115 HD1 PHE 15 HD1 PHE 15 43.538 15.847 -2.847 116 HD2 PHE 15 HD2 PHE 15 44.843 19.816 -3.938 117 HE1 PHE 15 HE1 PHE 15 41.344 16.771 -2.117 118 HE2 PHE 15 HE2 PHE 15 42.648 20.738 -3.204 119 HZ PHE 15 HZ PHE 15 40.906 19.219 -2.273 120 H ILE 16 HN ILE 16 46.931 18.550 -5.961 121 HA ILE 16 HA ILE 16 44.793 19.941 -7.408 122 HB ILE 16 HB ILE 16 47.774 20.594 -7.418 123 HG12 ILE 16 HG12 ILE 16 45.589 21.489 -5.476 124 HG13 ILE 16 HG11 ILE 16 46.895 20.346 -5.088 125 HG21 ILE 16 HG21 ILE 16 47.064 22.797 -8.040 126 HG22 ILE 16 HG22 ILE 16 45.366 22.448 -7.644 127 HG23 ILE 16 HG23 ILE 16 46.121 21.702 -9.072 128 HD11 ILE 16 HD1 ILE 16 47.658 22.451 -4.279 129 HD12 ILE 16 HD2 ILE 16 47.120 23.304 -5.744 130 HD13 ILE 16 HD3 ILE 16 48.523 22.210 -5.812 131 H HIS 17 HN HIS 17 48.114 19.376 -8.682 132 HA HIS 17 HA HIS 17 47.105 17.649 -10.829 133 HB2 HIS 17 HB2 HIS 17 46.254 19.854 -11.591 134 HB3 HIS 17 HB1 HIS 17 47.913 20.490 -11.561 135 HD1 HIS 17 HD1 HIS 17 45.831 17.743 -13.240 136 HD2 HIS 17 HD2 HIS 17 49.440 19.823 -13.810 137 HE1 HIS 17 HE1 HIS 17 46.711 17.120 -15.556 138 H GLY 18 HN GLY 18 49.233 17.939 -8.749 139 HA2 GLY 18 HA1 GLY 18 51.299 16.488 -9.458 140 HA3 GLY 18 HA2 GLY 18 51.713 17.932 -10.419 141 H MET 19 HN MET 19 51.016 19.956 -8.994 142 HA MET 19 HA MET 19 51.331 20.142 -6.324 143 HB2 MET 19 HB2 MET 19 53.914 19.345 -7.386 144 HB3 MET 19 HB1 MET 19 54.050 20.987 -6.730 145 HG2 MET 19 HG2 MET 19 53.007 20.162 -4.595 146 HG3 MET 19 HG1 MET 19 53.035 18.513 -5.263 147 HE1 MET 19 HE1 MET 19 54.253 19.320 -2.581 148 HE2 MET 19 HE2 MET 19 55.872 18.578 -2.566 149 HE3 MET 19 HE3 MET 19 54.479 17.665 -3.197 150 H ILE 20 HN ILE 20 49.807 21.620 -6.947 151 HA ILE 20 HA ILE 20 49.129 23.791 -7.459 152 HB ILE 20 HB ILE 20 52.038 24.714 -7.475 153 HG12 ILE 20 HG12 ILE 20 50.255 24.170 -5.052 154 HG13 ILE 20 HG11 ILE 20 51.804 23.383 -5.426 155 HG21 ILE 20 HG21 ILE 20 50.010 26.215 -8.102 156 HG22 ILE 20 HG22 ILE 20 51.126 26.835 -6.869 157 HG23 ILE 20 HG23 ILE 20 49.568 26.125 -6.383 158 HD11 ILE 20 HD1 ILE 20 51.307 26.256 -4.581 159 HD12 ILE 20 HD2 ILE 20 52.824 25.768 -5.377 160 HD13 ILE 20 HD3 ILE 20 52.361 25.042 -3.819 161 H GLN 21 HN GLN 21 50.325 21.622 -9.103 162 HA GLN 21 HA GLN 21 50.115 21.297 -11.458 163 HB2 GLN 21 HB2 GLN 21 49.313 23.811 -11.660 164 HB3 GLN 21 HB1 GLN 21 51.019 24.148 -12.035 165 HG2 GLN 21 HG2 GLN 21 50.936 22.467 -13.869 166 HG3 GLN 21 HG1 GLN 21 49.218 22.170 -13.507 167 HE21 GLN 21 HE21 GLN 21 47.651 23.874 -14.001 168 HE22 GLN 21 HE22 GLN 21 48.092 25.213 -15.065 169 H ASN 22 HN ASN 22 52.066 21.130 -9.414 170 HA ASN 22 HA ASN 22 54.318 20.848 -9.065 171 HB2 ASN 22 HB2 ASN 22 53.871 18.956 -10.467 172 HB3 ASN 22 HB1 ASN 22 54.082 19.940 -11.945 173 HD21 ASN 22 HD21 ASN 22 55.968 18.878 -12.783 174 HD22 ASN 22 HD22 ASN 22 57.511 18.886 -11.922 175 H HIS 23 HN HIS 23 53.778 23.375 -9.254 176 HA HIS 23 HA HIS 23 54.733 25.450 -9.715 177 HB2 HIS 23 HB2 HIS 23 57.237 23.882 -10.432 178 HB3 HIS 23 HB1 HIS 23 57.135 25.562 -9.852 179 HD1 HIS 23 HD1 HIS 23 54.674 24.303 -7.823 180 HD2 HIS 23 HD2 HIS 23 58.822 23.616 -7.896 181 HE1 HIS 23 HE1 HIS 23 55.338 23.403 -5.526 182 H HIS 24 HN HIS 24 56.342 26.574 -11.482 183 HA HIS 24 HA HIS 24 54.844 26.364 -13.957 184 HB2 HIS 24 HB2 HIS 24 57.495 27.777 -13.479 185 HB3 HIS 24 HB1 HIS 24 56.306 28.116 -14.760 186 HD1 HIS 24 HD1 HIS 24 57.037 28.674 -11.114 187 HD2 HIS 24 HD2 HIS 24 53.876 29.369 -13.802 188 HE1 HIS 24 HE1 HIS 24 55.426 30.308 -9.990 Start of MODEL 52 1 H1 PHE 1 HT1 PHE 1 59.211 1.871 2.471 2 H2 PHE 1 HT2 PHE 1 59.304 0.643 1.301 3 H3 PHE 1 HT3 PHE 1 58.523 0.354 2.782 4 HA PHE 1 HA PHE 1 56.967 0.678 0.974 5 HB2 PHE 1 HB2 PHE 1 56.927 2.974 2.967 6 HB3 PHE 1 HB1 PHE 1 55.535 2.212 2.161 7 HD1 PHE 1 HD1 PHE 1 54.795 -0.061 2.784 8 HD2 PHE 1 HD2 PHE 1 58.071 1.873 4.822 9 HE1 PHE 1 HE1 PHE 1 54.653 -1.748 4.614 10 HE2 PHE 1 HE2 PHE 1 57.930 0.186 6.651 11 HZ PHE 1 HZ PHE 1 56.179 -1.585 6.578 12 H LEU 2 HN LEU 2 59.707 2.454 0.733 13 HA LEU 2 HA LEU 2 60.394 4.180 -0.658 14 HB2 LEU 2 HB2 LEU 2 58.010 3.056 -2.164 15 HB3 LEU 2 HB1 LEU 2 58.985 4.378 -2.834 16 HG LEU 2 HG LEU 2 59.616 2.001 -3.566 17 HD11 LEU 2 HD11 LEU 2 61.941 3.390 -2.179 18 HD12 LEU 2 HD12 LEU 2 61.150 4.097 -3.605 19 HD13 LEU 2 HD13 LEU 2 61.925 2.503 -3.717 20 HD21 LEU 2 HD21 LEU 2 59.343 1.035 -1.233 21 HD22 LEU 2 HD22 LEU 2 60.868 1.840 -0.790 22 HD23 LEU 2 HD23 LEU 2 60.855 0.591 -2.055 23 H GLY 3 HN GLY 3 58.712 4.872 1.576 24 HA2 GLY 3 HA1 GLY 3 57.637 6.749 2.390 25 HA3 GLY 3 HA2 GLY 3 58.180 7.595 0.927 26 H ALA 4 HN ALA 4 55.981 4.801 1.348 27 HA ALA 4 HA ALA 4 53.836 4.477 0.519 28 HB1 ALA 4 HB1 ALA 4 53.428 6.102 2.386 29 HB2 ALA 4 HB2 ALA 4 52.214 6.174 1.086 30 HB3 ALA 4 HB3 ALA 4 53.485 7.417 1.188 31 H LEU 5 HN LEU 5 55.050 4.324 -1.615 32 HA LEU 5 HA LEU 5 55.183 4.839 -3.876 33 HB2 LEU 5 HB2 LEU 5 52.429 5.869 -3.126 34 HB3 LEU 5 HB1 LEU 5 53.017 5.950 -4.798 35 HG LEU 5 HG LEU 5 51.606 3.899 -4.179 36 HD11 LEU 5 HD11 LEU 5 52.791 2.462 -5.637 37 HD12 LEU 5 HD12 LEU 5 54.377 3.075 -5.129 38 HD13 LEU 5 HD13 LEU 5 53.314 4.083 -6.135 39 HD21 LEU 5 HD21 LEU 5 54.164 2.972 -2.801 40 HD22 LEU 5 HD22 LEU 5 52.609 2.117 -2.904 41 HD23 LEU 5 HD23 LEU 5 52.745 3.597 -1.928 42 H ILE 6 HN ILE 6 55.930 6.900 -1.699 43 HA ILE 6 HA ILE 6 56.410 9.202 -1.527 44 HB ILE 6 HB ILE 6 58.217 7.827 -3.023 45 HG12 ILE 6 HG12 ILE 6 58.245 10.862 -2.679 46 HG13 ILE 6 HG11 ILE 6 58.739 9.660 -1.467 47 HG21 ILE 6 HG21 ILE 6 56.819 8.659 -5.159 48 HG22 ILE 6 HG22 ILE 6 58.586 8.516 -5.209 49 HG23 ILE 6 HG23 ILE 6 57.834 10.105 -4.970 50 HD11 ILE 6 HD1 ILE 6 60.761 10.403 -2.521 51 HD12 ILE 6 HD2 ILE 6 60.051 10.258 -4.147 52 HD13 ILE 6 HD3 ILE 6 60.418 8.795 -3.202 53 H LYS 7 HN LYS 7 56.912 11.072 -3.761 54 HA LYS 7 HA LYS 7 55.584 12.807 -4.566 55 HB2 LYS 7 HB2 LYS 7 54.725 10.837 -6.127 56 HB3 LYS 7 HB1 LYS 7 53.315 10.825 -5.046 57 HG2 LYS 7 HG2 LYS 7 52.588 12.330 -6.694 58 HG3 LYS 7 HG1 LYS 7 53.300 13.454 -5.515 59 HD2 LYS 7 HD2 LYS 7 55.439 13.419 -6.823 60 HD3 LYS 7 HD1 LYS 7 54.665 12.351 -8.017 61 HE2 LYS 7 HE2 LYS 7 54.538 14.650 -8.822 62 HE3 LYS 7 HE1 LYS 7 52.904 14.110 -8.369 63 HZ1 LYS 7 HZ1 LYS 7 54.264 15.231 -6.136 64 HZ2 LYS 7 HZ2 LYS 7 52.787 15.694 -6.839 65 HZ3 LYS 7 HZ3 LYS 7 54.247 16.333 -7.426 66 H GLY 8 HN GLY 8 55.865 11.575 -2.173 67 HA2 GLY 8 HA1 GLY 8 55.157 11.190 -0.110 68 HA3 GLY 8 HA2 GLY 8 54.687 12.932 -0.182 69 H ALA 9 HN ALA 9 53.647 9.596 -0.504 70 HA ALA 9 HA ALA 9 51.581 8.589 -0.380 71 HB1 ALA 9 HB1 ALA 9 50.788 11.069 1.183 72 HB2 ALA 9 HB2 ALA 9 51.701 9.704 1.870 73 HB3 ALA 9 HB3 ALA 9 50.043 9.457 1.269 74 H ILE 10 HN ILE 10 51.582 9.135 -2.754 75 HA ILE 10 HA ILE 10 50.372 9.741 -4.617 76 HB ILE 10 HB ILE 10 48.276 9.932 -2.449 77 HG12 ILE 10 HG12 ILE 10 47.069 8.423 -4.004 78 HG13 ILE 10 HG11 ILE 10 48.361 8.637 -5.208 79 HG21 ILE 10 HG21 ILE 10 47.612 11.956 -3.497 80 HG22 ILE 10 HG22 ILE 10 46.578 10.713 -4.234 81 HG23 ILE 10 HG23 ILE 10 47.987 11.339 -5.124 82 HD11 ILE 10 HD1 ILE 10 49.979 7.558 -3.799 83 HD12 ILE 10 HD2 ILE 10 48.522 6.538 -3.740 84 HD13 ILE 10 HD3 ILE 10 48.900 7.630 -2.386 85 H HIS 11 HN HIS 11 49.327 12.243 -2.244 86 HA HIS 11 HA HIS 11 50.974 14.263 -3.658 87 HB2 HIS 11 HB2 HIS 11 47.928 14.331 -3.565 88 HB3 HIS 11 HB1 HIS 11 48.935 15.764 -3.886 89 HD1 HIS 11 HD1 HIS 11 47.000 13.568 -5.755 90 HD2 HIS 11 HD2 HIS 11 51.018 14.763 -6.080 91 HE1 HIS 11 HE1 HIS 11 47.755 13.063 -8.143 92 H GLY 12 HN GLY 12 49.838 12.800 -0.985 93 HA2 GLY 12 HA1 GLY 12 50.846 13.802 1.119 94 HA3 GLY 12 HA2 GLY 12 49.984 15.299 0.706 95 H GLY 13 HN GLY 13 48.591 12.132 0.099 96 HA2 GLY 13 HA1 GLY 13 46.640 11.195 0.920 97 HA3 GLY 13 HA2 GLY 13 47.271 11.636 2.518 98 H ARG 14 HN ARG 14 45.587 13.027 -0.324 99 HA ARG 14 HA ARG 14 43.527 14.156 1.398 100 HB2 ARG 14 HB2 ARG 14 45.746 15.711 1.382 101 HB3 ARG 14 HB1 ARG 14 45.002 16.315 -0.113 102 HG2 ARG 14 HG2 ARG 14 43.722 16.235 2.661 103 HG3 ARG 14 HG1 ARG 14 44.260 17.683 1.780 104 HD2 ARG 14 HD2 ARG 14 42.607 16.873 -0.093 105 HD3 ARG 14 HD1 ARG 14 41.896 15.875 1.202 106 HE ARG 14 HE ARG 14 41.468 18.677 0.886 107 HH11 ARG 14 HH11 ARG 14 40.359 16.403 2.823 108 HH12 ARG 14 HH12 ARG 14 40.519 17.243 4.329 109 HH21 ARG 14 HH21 ARG 14 42.530 19.748 3.025 110 HH22 ARG 14 HH22 ARG 14 41.748 19.136 4.444 111 H PHE 15 HN PHE 15 45.145 13.856 -1.732 112 HA PHE 15 HA PHE 15 43.301 14.998 -3.476 113 HB2 PHE 15 HB2 PHE 15 45.437 13.825 -4.103 114 HB3 PHE 15 HB1 PHE 15 44.593 12.274 -3.887 115 HD1 PHE 15 HD1 PHE 15 43.186 11.403 -5.614 116 HD2 PHE 15 HD2 PHE 15 44.475 15.520 -5.766 117 HE1 PHE 15 HE1 PHE 15 42.243 11.615 -7.911 118 HE2 PHE 15 HE2 PHE 15 43.532 15.730 -8.062 119 HZ PHE 15 HZ PHE 15 42.355 13.798 -9.106 120 H ILE 16 HN ILE 16 43.025 11.927 -1.703 121 HA ILE 16 HA ILE 16 40.372 11.402 -2.977 122 HB ILE 16 HB ILE 16 41.834 9.717 -0.888 123 HG12 ILE 16 HG12 ILE 16 42.126 8.283 -3.198 124 HG13 ILE 16 HG11 ILE 16 42.142 9.915 -3.897 125 HG21 ILE 16 HG21 ILE 16 39.408 9.324 -1.059 126 HG22 ILE 16 HG22 ILE 16 40.302 7.947 -1.742 127 HG23 ILE 16 HG23 ILE 16 39.546 9.142 -2.823 128 HD11 ILE 16 HD1 ILE 16 44.428 9.120 -3.343 129 HD12 ILE 16 HD2 ILE 16 43.949 8.936 -1.640 130 HD13 ILE 16 HD3 ILE 16 43.994 10.550 -2.380 131 H HIS 17 HN HIS 17 41.428 10.853 0.401 132 HA HIS 17 HA HIS 17 39.803 12.957 1.524 133 HB2 HIS 17 HB2 HIS 17 37.981 11.444 0.668 134 HB3 HIS 17 HB1 HIS 17 38.609 10.165 1.734 135 HD1 HIS 17 HD1 HIS 17 35.847 10.862 2.453 136 HD2 HIS 17 HD2 HIS 17 39.042 13.255 3.772 137 HE1 HIS 17 HE1 HIS 17 35.045 12.132 4.520 138 H GLY 18 HN GLY 18 42.389 12.229 1.914 139 HA2 GLY 18 HA1 GLY 18 43.380 12.318 4.211 140 HA3 GLY 18 HA2 GLY 18 42.361 10.924 4.630 141 H MET 19 HN MET 19 42.561 9.554 2.242 142 HA MET 19 HA MET 19 44.548 8.895 0.827 143 HB2 MET 19 HB2 MET 19 46.400 9.243 2.255 144 HB3 MET 19 HB1 MET 19 45.686 8.285 3.553 145 HG2 MET 19 HG2 MET 19 47.504 7.065 2.388 146 HG3 MET 19 HG1 MET 19 45.953 6.229 2.172 147 HE1 MET 19 HE1 MET 19 48.026 5.756 -1.152 148 HE2 MET 19 HE2 MET 19 47.501 5.034 0.388 149 HE3 MET 19 HE3 MET 19 48.834 6.214 0.367 150 H ILE 20 HN ILE 20 42.869 7.923 -0.092 151 HA ILE 20 HA ILE 20 41.514 6.108 -0.614 152 HB ILE 20 HB ILE 20 42.977 4.409 1.467 153 HG12 ILE 20 HG12 ILE 20 44.802 5.360 0.260 154 HG13 ILE 20 HG11 ILE 20 44.546 3.763 -0.460 155 HG21 ILE 20 HG21 ILE 20 41.138 3.234 0.546 156 HG22 ILE 20 HG22 ILE 20 42.527 2.647 -0.386 157 HG23 ILE 20 HG23 ILE 20 41.427 3.848 -1.092 158 HD11 ILE 20 HD1 ILE 20 43.725 6.469 -1.584 159 HD12 ILE 20 HD2 ILE 20 43.115 4.935 -2.238 160 HD13 ILE 20 HD3 ILE 20 44.853 5.291 -2.285 161 H GLN 21 HN GLN 21 41.464 8.031 1.641 162 HA GLN 21 HA GLN 21 39.734 8.614 3.133 163 HB2 GLN 21 HB2 GLN 21 38.383 6.555 2.099 164 HB3 GLN 21 HB1 GLN 21 38.920 5.715 3.569 165 HG2 GLN 21 HG2 GLN 21 37.974 7.603 4.936 166 HG3 GLN 21 HG1 GLN 21 37.321 8.306 3.437 167 HE21 GLN 21 HE21 GLN 21 36.997 5.635 5.768 168 HE22 GLN 21 HE22 GLN 21 35.472 5.026 5.115 169 H ASN 22 HN ASN 22 42.434 7.846 3.246 170 HA ASN 22 HA ASN 22 44.117 7.258 4.674 171 HB2 ASN 22 HB2 ASN 22 43.544 9.270 5.715 172 HB3 ASN 22 HB1 ASN 22 42.126 8.549 6.535 173 HD21 ASN 22 HD21 ASN 22 42.862 8.967 8.716 174 HD22 ASN 22 HD22 ASN 22 44.283 8.159 9.386 175 H HIS 23 HN HIS 23 43.411 5.116 3.906 176 HA HIS 23 HA HIS 23 42.229 3.374 5.997 177 HB2 HIS 23 HB2 HIS 23 43.428 2.899 3.242 178 HB3 HIS 23 HB1 HIS 23 42.972 1.550 4.308 179 HD1 HIS 23 HD1 HIS 23 41.278 1.277 2.058 180 HD2 HIS 23 HD2 HIS 23 40.449 4.363 4.786 181 HE1 HIS 23 HE1 HIS 23 38.822 1.915 1.764 182 H HIS 24 HN HIS 24 44.896 1.997 4.309 183 HA HIS 24 HA HIS 24 46.220 1.320 6.795 184 HB2 HIS 24 HB2 HIS 24 47.983 0.388 5.272 185 HB3 HIS 24 HB1 HIS 24 46.342 -0.187 4.893 186 HD1 HIS 24 HD1 HIS 24 45.688 -0.012 2.496 187 HD2 HIS 24 HD2 HIS 24 48.587 2.849 3.546 188 HE1 HIS 24 HE1 HIS 24 46.309 1.260 0.369 Start of MODEL 53 1 H1 PHE 1 HT1 PHE 1 59.791 5.574 -11.764 2 H2 PHE 1 HT2 PHE 1 61.357 4.936 -11.924 3 H3 PHE 1 HT3 PHE 1 60.784 5.420 -10.400 4 HA PHE 1 HA PHE 1 59.138 3.487 -11.730 5 HB2 PHE 1 HB2 PHE 1 61.464 2.801 -12.409 6 HB3 PHE 1 HB1 PHE 1 61.876 2.672 -10.681 7 HD1 PHE 1 HD1 PHE 1 59.347 1.488 -13.213 8 HD2 PHE 1 HD2 PHE 1 61.430 0.647 -9.524 9 HE1 PHE 1 HE1 PHE 1 58.336 -0.788 -13.158 10 HE2 PHE 1 HE2 PHE 1 60.419 -1.629 -9.473 11 HZ PHE 1 HZ PHE 1 58.895 -2.357 -11.305 12 H LEU 2 HN LEU 2 59.426 5.506 -9.428 13 HA LEU 2 HA LEU 2 59.539 3.914 -7.004 14 HB2 LEU 2 HB2 LEU 2 58.136 6.588 -7.337 15 HB3 LEU 2 HB1 LEU 2 58.891 5.913 -5.875 16 HG LEU 2 HG LEU 2 60.328 6.779 -8.423 17 HD11 LEU 2 HD11 LEU 2 59.523 8.613 -6.923 18 HD12 LEU 2 HD12 LEU 2 61.299 8.513 -6.979 19 HD13 LEU 2 HD13 LEU 2 60.415 7.871 -5.573 20 HD21 LEU 2 HD21 LEU 2 62.385 6.340 -6.886 21 HD22 LEU 2 HD22 LEU 2 61.577 4.924 -7.593 22 HD23 LEU 2 HD23 LEU 2 61.274 5.366 -5.895 23 H GLY 3 HN GLY 3 57.083 4.642 -9.371 24 HA2 GLY 3 HA1 GLY 3 54.869 3.993 -9.517 25 HA3 GLY 3 HA2 GLY 3 55.306 2.652 -8.440 26 H ALA 4 HN ALA 4 55.195 6.204 -7.950 27 HA ALA 4 HA ALA 4 54.136 7.445 -6.307 28 HB1 ALA 4 HB1 ALA 4 52.039 5.250 -6.464 29 HB2 ALA 4 HB2 ALA 4 52.140 6.652 -7.556 30 HB3 ALA 4 HB3 ALA 4 51.813 6.895 -5.823 31 H LEU 5 HN LEU 5 55.375 7.421 -4.528 32 HA LEU 5 HA LEU 5 54.523 5.694 -2.316 33 HB2 LEU 5 HB2 LEU 5 56.276 4.394 -3.796 34 HB3 LEU 5 HB1 LEU 5 57.457 5.506 -3.074 35 HG LEU 5 HG LEU 5 56.288 4.768 -0.776 36 HD11 LEU 5 HD11 LEU 5 54.500 3.413 -1.808 37 HD12 LEU 5 HD12 LEU 5 55.587 2.375 -0.859 38 HD13 LEU 5 HD13 LEU 5 55.716 2.410 -2.632 39 HD21 LEU 5 HD21 LEU 5 58.198 2.992 -2.362 40 HD22 LEU 5 HD22 LEU 5 57.925 2.878 -0.607 41 HD23 LEU 5 HD23 LEU 5 58.648 4.348 -1.301 42 H ILE 6 HN ILE 6 55.412 8.552 -3.540 43 HA ILE 6 HA ILE 6 55.906 9.692 -0.870 44 HB ILE 6 HB ILE 6 58.043 10.891 -1.591 45 HG12 ILE 6 HG12 ILE 6 58.040 8.796 -3.813 46 HG13 ILE 6 HG11 ILE 6 57.762 10.538 -4.039 47 HG21 ILE 6 HG21 ILE 6 57.962 8.738 -0.169 48 HG22 ILE 6 HG22 ILE 6 59.515 9.135 -0.936 49 HG23 ILE 6 HG23 ILE 6 58.471 7.879 -1.643 50 HD11 ILE 6 HD1 ILE 6 60.308 9.131 -3.163 51 HD12 ILE 6 HD2 ILE 6 60.058 10.870 -2.873 52 HD13 ILE 6 HD3 ILE 6 60.069 10.235 -4.536 53 H LYS 7 HN LYS 7 54.185 9.662 -3.344 54 HA LYS 7 HA LYS 7 54.176 12.629 -3.792 55 HB2 LYS 7 HB2 LYS 7 52.034 10.611 -4.624 56 HB3 LYS 7 HB1 LYS 7 52.318 12.236 -5.292 57 HG2 LYS 7 HG2 LYS 7 54.215 9.861 -5.555 58 HG3 LYS 7 HG1 LYS 7 53.126 10.459 -6.830 59 HD2 LYS 7 HD2 LYS 7 54.291 12.740 -6.552 60 HD3 LYS 7 HD1 LYS 7 55.513 11.879 -5.586 61 HE2 LYS 7 HE2 LYS 7 56.361 11.920 -7.829 62 HE3 LYS 7 HE1 LYS 7 55.755 10.268 -7.568 63 HZ1 LYS 7 HZ1 LYS 7 53.646 11.890 -8.487 64 HZ2 LYS 7 HZ2 LYS 7 54.355 10.545 -9.244 65 HZ3 LYS 7 HZ3 LYS 7 54.970 12.104 -9.524 66 H GLY 8 HN GLY 8 54.383 11.151 -1.536 67 HA2 GLY 8 HA1 GLY 8 53.968 11.023 0.550 68 HA3 GLY 8 HA2 GLY 8 52.647 12.251 0.381 69 H ALA 9 HN ALA 9 53.274 8.974 -0.863 70 HA ALA 9 HA ALA 9 52.060 7.014 -0.757 71 HB1 ALA 9 HB1 ALA 9 52.169 7.594 1.747 72 HB2 ALA 9 HB2 ALA 9 50.885 6.476 1.229 73 HB3 ALA 9 HB3 ALA 9 50.500 8.180 1.567 74 H ILE 10 HN ILE 10 50.971 9.888 -1.665 75 HA ILE 10 HA ILE 10 48.675 8.766 -3.075 76 HB ILE 10 HB ILE 10 47.213 10.851 -2.003 77 HG12 ILE 10 HG12 ILE 10 48.740 9.701 0.379 78 HG13 ILE 10 HG11 ILE 10 49.126 11.266 -0.365 79 HG21 ILE 10 HG21 ILE 10 45.877 9.253 -0.862 80 HG22 ILE 10 HG22 ILE 10 47.247 8.165 -0.576 81 HG23 ILE 10 HG23 ILE 10 46.590 8.356 -2.217 82 HD11 ILE 10 HD1 ILE 10 46.643 11.877 0.008 83 HD12 ILE 10 HD2 ILE 10 47.670 11.774 1.456 84 HD13 ILE 10 HD3 ILE 10 46.568 10.439 1.054 85 H HIS 11 HN HIS 11 48.862 12.097 -1.917 86 HA HIS 11 HA HIS 11 50.327 13.033 -4.285 87 HB2 HIS 11 HB2 HIS 11 47.992 12.684 -5.144 88 HB3 HIS 11 HB1 HIS 11 47.413 13.835 -3.915 89 HD1 HIS 11 HD1 HIS 11 47.027 16.063 -4.954 90 HD2 HIS 11 HD2 HIS 11 50.440 14.168 -6.522 91 HE1 HIS 11 HE1 HIS 11 48.077 17.664 -6.646 92 H GLY 12 HN GLY 12 50.418 13.058 -1.296 93 HA2 GLY 12 HA1 GLY 12 51.269 14.639 0.194 94 HA3 GLY 12 HA2 GLY 12 51.049 15.906 -1.028 95 H GLY 13 HN GLY 13 48.723 13.626 0.466 96 HA2 GLY 13 HA1 GLY 13 46.768 14.036 1.629 97 HA3 GLY 13 HA2 GLY 13 47.553 15.498 2.256 98 H ARG 14 HN ARG 14 47.654 15.711 -1.051 99 HA ARG 14 HA ARG 14 45.594 17.771 -1.072 100 HB2 ARG 14 HB2 ARG 14 47.360 16.515 -3.199 101 HB3 ARG 14 HB1 ARG 14 46.141 17.746 -3.598 102 HG2 ARG 14 HG2 ARG 14 48.110 18.299 -1.349 103 HG3 ARG 14 HG1 ARG 14 48.652 18.465 -3.033 104 HD2 ARG 14 HD2 ARG 14 46.247 19.888 -1.799 105 HD3 ARG 14 HD1 ARG 14 47.824 20.624 -2.159 106 HE ARG 14 HE ARG 14 46.707 19.386 -4.524 107 HH11 ARG 14 HH11 ARG 14 44.594 21.196 -3.083 108 HH12 ARG 14 HH12 ARG 14 44.800 22.658 -3.989 109 HH21 ARG 14 HH21 ARG 14 47.797 21.664 -5.421 110 HH22 ARG 14 HH22 ARG 14 46.613 22.923 -5.313 111 H PHE 15 HN PHE 15 45.598 14.372 -1.475 112 HA PHE 15 HA PHE 15 43.642 13.935 -3.448 113 HB2 PHE 15 HB2 PHE 15 44.863 12.136 -2.255 114 HB3 PHE 15 HB1 PHE 15 43.926 12.488 -0.783 115 HD1 PHE 15 HD1 PHE 15 41.507 12.005 -0.673 116 HD2 PHE 15 HD2 PHE 15 43.832 11.040 -4.179 117 HE1 PHE 15 HE1 PHE 15 39.661 10.547 -1.495 118 HE2 PHE 15 HE2 PHE 15 41.986 9.582 -5.002 119 HZ PHE 15 HZ PHE 15 39.872 9.393 -3.694 120 H ILE 16 HN ILE 16 43.345 15.284 -0.230 121 HA ILE 16 HA ILE 16 40.353 15.196 -0.393 122 HB ILE 16 HB ILE 16 42.090 16.186 1.912 123 HG12 ILE 16 HG12 ILE 16 40.879 13.424 1.415 124 HG13 ILE 16 HG11 ILE 16 42.612 13.816 1.351 125 HG21 ILE 16 HG21 ILE 16 40.084 16.014 3.213 126 HG22 ILE 16 HG22 ILE 16 39.244 15.097 1.940 127 HG23 ILE 16 HG23 ILE 16 39.591 16.825 1.712 128 HD11 ILE 16 HD1 ILE 16 42.275 12.915 3.526 129 HD12 ILE 16 HD2 ILE 16 40.769 13.830 3.765 130 HD13 ILE 16 HD3 ILE 16 42.337 14.673 3.773 131 H HIS 17 HN HIS 17 42.544 17.690 1.014 132 HA HIS 17 HA HIS 17 41.925 19.635 -1.052 133 HB2 HIS 17 HB2 HIS 17 39.688 19.506 0.015 134 HB3 HIS 17 HB1 HIS 17 40.419 19.952 1.573 135 HD1 HIS 17 HD1 HIS 17 42.002 21.604 -1.333 136 HD2 HIS 17 HD2 HIS 17 38.739 22.389 1.199 137 HE1 HIS 17 HE1 HIS 17 41.419 24.079 -1.587 138 H GLY 18 HN GLY 18 44.224 18.675 0.273 139 HA2 GLY 18 HA1 GLY 18 46.095 20.375 0.570 140 HA3 GLY 18 HA2 GLY 18 45.104 21.062 1.882 141 H MET 19 HN MET 19 44.044 18.858 2.963 142 HA MET 19 HA MET 19 45.230 16.618 3.565 143 HB2 MET 19 HB2 MET 19 47.456 17.143 3.967 144 HB3 MET 19 HB1 MET 19 47.065 18.718 4.652 145 HG2 MET 19 HG2 MET 19 46.541 17.798 6.777 146 HG3 MET 19 HG1 MET 19 46.307 16.167 6.103 147 HE1 MET 19 HE1 MET 19 49.286 15.307 8.229 148 HE2 MET 19 HE2 MET 19 47.968 14.568 7.288 149 HE3 MET 19 HE3 MET 19 47.620 15.907 8.409 150 H ILE 20 HN ILE 20 43.137 16.294 3.947 151 HA ILE 20 HA ILE 20 41.243 16.120 5.284 152 HB ILE 20 HB ILE 20 42.882 17.044 7.690 153 HG12 ILE 20 HG12 ILE 20 42.745 14.236 6.492 154 HG13 ILE 20 HG11 ILE 20 44.176 15.287 6.492 155 HG21 ILE 20 HG21 ILE 20 40.720 14.900 7.545 156 HG22 ILE 20 HG22 ILE 20 40.309 16.617 7.735 157 HG23 ILE 20 HG23 ILE 20 41.294 15.802 8.967 158 HD11 ILE 20 HD1 ILE 20 42.799 13.979 8.858 159 HD12 ILE 20 HD2 ILE 20 43.896 15.365 9.071 160 HD13 ILE 20 HD3 ILE 20 44.499 13.851 8.358 161 H GLN 21 HN GLN 21 42.511 18.445 4.014 162 HA GLN 21 HA GLN 21 41.615 20.577 3.504 163 HB2 GLN 21 HB2 GLN 21 39.532 19.912 5.018 164 HB3 GLN 21 HB1 GLN 21 40.364 20.867 6.266 165 HG2 GLN 21 HG2 GLN 21 40.425 22.820 4.762 166 HG3 GLN 21 HG1 GLN 21 39.634 21.874 3.478 167 HE21 GLN 21 HE21 GLN 21 37.687 23.163 3.424 168 HE22 GLN 21 HE22 GLN 21 36.551 23.171 4.777 169 H ASN 22 HN ASN 22 43.938 19.528 4.650 170 HA ASN 22 HA ASN 22 45.817 20.076 5.838 171 HB2 ASN 22 HB2 ASN 22 46.601 22.424 5.443 172 HB3 ASN 22 HB1 ASN 22 46.092 21.528 3.982 173 HD21 ASN 22 HD21 ASN 22 45.060 24.061 6.336 174 HD22 ASN 22 HD22 ASN 22 43.844 24.769 5.268 175 H HIS 23 HN HIS 23 44.199 19.451 7.560 176 HA HIS 23 HA HIS 23 44.839 21.178 9.833 177 HB2 HIS 23 HB2 HIS 23 42.899 22.426 8.922 178 HB3 HIS 23 HB1 HIS 23 41.912 20.949 9.029 179 HD1 HIS 23 HD1 HIS 23 40.649 20.653 11.159 180 HD2 HIS 23 HD2 HIS 23 44.084 23.019 11.686 181 HE1 HIS 23 HE1 HIS 23 40.644 21.473 13.578 182 H HIS 24 HN HIS 24 45.043 19.942 11.592 183 HA HIS 24 HA HIS 24 44.514 17.107 11.413 184 HB2 HIS 24 HB2 HIS 24 46.344 18.121 12.778 185 HB3 HIS 24 HB1 HIS 24 45.115 18.789 13.878 186 HD1 HIS 24 HD1 HIS 24 44.354 15.443 12.420 187 HD2 HIS 24 HD2 HIS 24 46.124 16.972 15.916 188 HE1 HIS 24 HE1 HIS 24 44.512 13.522 14.097 Start of MODEL 54 1 H1 PHE 1 HT1 PHE 1 60.855 2.105 -0.465 2 H2 PHE 1 HT2 PHE 1 61.124 0.437 -0.651 3 H3 PHE 1 HT3 PHE 1 61.963 1.552 -1.622 4 HA PHE 1 HA PHE 1 62.903 0.426 0.609 5 HB2 PHE 1 HB2 PHE 1 63.607 3.128 -0.605 6 HB3 PHE 1 HB1 PHE 1 64.657 2.171 0.468 7 HD1 PHE 1 HD1 PHE 1 65.670 0.065 -0.296 8 HD2 PHE 1 HD2 PHE 1 63.149 2.405 -2.904 9 HE1 PHE 1 HE1 PHE 1 66.475 -1.250 -2.255 10 HE2 PHE 1 HE2 PHE 1 63.953 1.091 -4.861 11 HZ PHE 1 HZ PHE 1 65.673 -0.685 -4.545 12 H LEU 2 HN LEU 2 61.422 3.683 0.368 13 HA LEU 2 HA LEU 2 61.870 4.294 3.168 14 HB2 LEU 2 HB2 LEU 2 60.131 5.473 0.975 15 HB3 LEU 2 HB1 LEU 2 60.037 6.075 2.647 16 HG LEU 2 HG LEU 2 62.423 6.622 2.633 17 HD11 LEU 2 HD11 LEU 2 62.341 5.274 -0.095 18 HD12 LEU 2 HD12 LEU 2 63.411 4.922 1.284 19 HD13 LEU 2 HD13 LEU 2 63.631 6.418 0.348 20 HD21 LEU 2 HD21 LEU 2 60.820 8.287 1.729 21 HD22 LEU 2 HD22 LEU 2 61.019 7.594 0.102 22 HD23 LEU 2 HD23 LEU 2 62.392 8.395 0.903 23 H GLY 3 HN GLY 3 58.619 4.439 1.791 24 HA2 GLY 3 HA1 GLY 3 57.549 2.137 3.098 25 HA3 GLY 3 HA2 GLY 3 57.367 3.538 4.172 26 H ALA 4 HN ALA 4 57.417 4.436 0.899 27 HA ALA 4 HA ALA 4 54.609 3.944 0.303 28 HB1 ALA 4 HB1 ALA 4 53.776 6.193 0.491 29 HB2 ALA 4 HB2 ALA 4 55.380 6.805 0.962 30 HB3 ALA 4 HB3 ALA 4 54.474 5.739 2.063 31 H LEU 5 HN LEU 5 53.919 5.183 -1.681 32 HA LEU 5 HA LEU 5 56.118 5.046 -3.629 33 HB2 LEU 5 HB2 LEU 5 53.284 6.005 -4.155 34 HB3 LEU 5 HB1 LEU 5 54.423 5.229 -5.283 35 HG LEU 5 HG LEU 5 53.093 3.926 -2.865 36 HD11 LEU 5 HD11 LEU 5 51.917 2.583 -4.524 37 HD12 LEU 5 HD12 LEU 5 52.838 3.338 -5.847 38 HD13 LEU 5 HD13 LEU 5 51.669 4.302 -4.912 39 HD21 LEU 5 HD21 LEU 5 54.191 1.828 -3.923 40 HD22 LEU 5 HD22 LEU 5 55.264 2.934 -3.038 41 HD23 LEU 5 HD23 LEU 5 55.227 2.966 -4.817 42 H ILE 6 HN ILE 6 55.786 7.251 -1.436 43 HA ILE 6 HA ILE 6 56.043 9.585 -1.283 44 HB ILE 6 HB ILE 6 57.517 9.524 -3.963 45 HG12 ILE 6 HG12 ILE 6 58.450 8.190 -1.379 46 HG13 ILE 6 HG11 ILE 6 58.138 7.385 -2.934 47 HG21 ILE 6 HG21 ILE 6 58.923 11.132 -2.921 48 HG22 ILE 6 HG22 ILE 6 58.438 10.637 -1.281 49 HG23 ILE 6 HG23 ILE 6 57.304 11.539 -2.311 50 HD11 ILE 6 HD1 ILE 6 59.907 8.974 -3.935 51 HD12 ILE 6 HD2 ILE 6 60.505 7.693 -2.853 52 HD13 ILE 6 HD3 ILE 6 60.346 9.360 -2.254 53 H LYS 7 HN LYS 7 56.539 11.186 -3.915 54 HA LYS 7 HA LYS 7 55.093 12.720 -4.924 55 HB2 LYS 7 HB2 LYS 7 53.057 10.443 -5.067 56 HB3 LYS 7 HB1 LYS 7 53.117 11.894 -6.098 57 HG2 LYS 7 HG2 LYS 7 55.265 11.142 -7.057 58 HG3 LYS 7 HG1 LYS 7 55.240 9.704 -6.008 59 HD2 LYS 7 HD2 LYS 7 53.228 8.872 -7.084 60 HD3 LYS 7 HD1 LYS 7 53.050 10.378 -8.018 61 HE2 LYS 7 HE2 LYS 7 55.460 8.524 -8.222 62 HE3 LYS 7 HE1 LYS 7 54.071 8.476 -9.332 63 HZ1 LYS 7 HZ1 LYS 7 54.559 10.994 -9.559 64 HZ2 LYS 7 HZ2 LYS 7 55.522 9.881 -10.407 65 HZ3 LYS 7 HZ3 LYS 7 56.099 10.589 -8.975 66 H GLY 8 HN GLY 8 55.438 11.898 -2.368 67 HA2 GLY 8 HA1 GLY 8 54.714 11.760 -0.268 68 HA3 GLY 8 HA2 GLY 8 54.202 13.463 -0.590 69 H ALA 9 HN ALA 9 53.252 10.096 -0.391 70 HA ALA 9 HA ALA 9 51.223 9.078 -0.047 71 HB1 ALA 9 HB1 ALA 9 51.198 10.697 1.878 72 HB2 ALA 9 HB2 ALA 9 49.583 10.218 1.302 73 HB3 ALA 9 HB3 ALA 9 50.251 11.809 0.861 74 H ILE 10 HN ILE 10 51.712 9.749 -2.629 75 HA ILE 10 HA ILE 10 50.603 9.807 -4.634 76 HB ILE 10 HB ILE 10 48.535 9.016 -2.867 77 HG12 ILE 10 HG12 ILE 10 48.422 9.275 -5.907 78 HG13 ILE 10 HG11 ILE 10 49.189 7.943 -5.011 79 HG21 ILE 10 HG21 ILE 10 46.511 10.149 -3.507 80 HG22 ILE 10 HG22 ILE 10 47.358 11.114 -4.736 81 HG23 ILE 10 HG23 ILE 10 47.648 11.417 -3.009 82 HD11 ILE 10 HD1 ILE 10 47.060 7.056 -5.499 83 HD12 ILE 10 HD2 ILE 10 46.244 8.619 -5.269 84 HD13 ILE 10 HD3 ILE 10 46.824 7.701 -3.858 85 H HIS 11 HN HIS 11 49.757 12.256 -2.226 86 HA HIS 11 HA HIS 11 50.452 14.367 -4.110 87 HB2 HIS 11 HB2 HIS 11 48.112 13.784 -4.833 88 HB3 HIS 11 HB1 HIS 11 47.551 14.229 -3.202 89 HD1 HIS 11 HD1 HIS 11 50.334 16.384 -3.973 90 HD2 HIS 11 HD2 HIS 11 46.250 16.350 -4.977 91 HE1 HIS 11 HE1 HIS 11 49.728 18.733 -4.776 92 H GLY 12 HN GLY 12 49.359 13.170 -1.027 93 HA2 GLY 12 HA1 GLY 12 50.859 14.553 0.696 94 HA3 GLY 12 HA2 GLY 12 49.692 15.826 0.278 95 H GLY 13 HN GLY 13 47.739 13.414 -0.146 96 HA2 GLY 13 HA1 GLY 13 47.217 12.040 2.200 97 HA3 GLY 13 HA2 GLY 13 46.549 13.656 2.504 98 H ARG 14 HN ARG 14 46.663 11.827 -0.585 99 HA ARG 14 HA ARG 14 44.850 11.309 -1.985 100 HB2 ARG 14 HB2 ARG 14 43.321 10.924 0.575 101 HB3 ARG 14 HB1 ARG 14 43.044 10.135 -0.981 102 HG2 ARG 14 HG2 ARG 14 45.168 8.944 -0.800 103 HG3 ARG 14 HG1 ARG 14 45.551 9.801 0.713 104 HD2 ARG 14 HD2 ARG 14 43.550 8.828 1.785 105 HD3 ARG 14 HD1 ARG 14 43.153 7.972 0.277 106 HE ARG 14 HE ARG 14 45.837 7.322 1.125 107 HH11 ARG 14 HH11 ARG 14 43.966 5.276 0.101 108 HH12 ARG 14 HH12 ARG 14 43.559 4.377 1.525 109 HH21 ARG 14 HH21 ARG 14 44.688 6.821 3.712 110 HH22 ARG 14 HH22 ARG 14 43.970 5.252 3.569 111 H PHE 15 HN PHE 15 45.330 14.015 -0.716 112 HA PHE 15 HA PHE 15 44.372 16.105 -0.747 113 HB2 PHE 15 HB2 PHE 15 44.066 15.332 -3.178 114 HB3 PHE 15 HB1 PHE 15 42.381 14.985 -2.750 115 HD1 PHE 15 HD1 PHE 15 40.888 16.849 -1.914 116 HD2 PHE 15 HD2 PHE 15 44.840 17.592 -3.485 117 HE1 PHE 15 HE1 PHE 15 40.325 19.261 -2.195 118 HE2 PHE 15 HE2 PHE 15 44.275 20.002 -3.767 119 HZ PHE 15 HZ PHE 15 42.023 20.838 -3.108 120 H ILE 16 HN ILE 16 43.673 16.037 1.353 121 HA ILE 16 HA ILE 16 42.101 16.374 2.997 122 HB ILE 16 HB ILE 16 39.872 15.875 0.984 123 HG12 ILE 16 HG12 ILE 16 41.580 17.755 0.347 124 HG13 ILE 16 HG11 ILE 16 39.859 18.168 0.378 125 HG21 ILE 16 HG21 ILE 16 38.641 17.399 2.606 126 HG22 ILE 16 HG22 ILE 16 40.030 17.223 3.703 127 HG23 ILE 16 HG23 ILE 16 39.077 15.794 3.238 128 HD11 ILE 16 HD1 ILE 16 40.072 19.286 2.500 129 HD12 ILE 16 HD2 ILE 16 41.421 19.852 1.491 130 HD13 ILE 16 HD3 ILE 16 41.708 18.639 2.756 131 H HIS 17 HN HIS 17 41.531 13.693 0.748 132 HA HIS 17 HA HIS 17 41.942 11.499 2.203 133 HB2 HIS 17 HB2 HIS 17 40.747 12.069 4.178 134 HB3 HIS 17 HB1 HIS 17 39.317 12.601 3.262 135 HD1 HIS 17 HD1 HIS 17 40.908 9.434 2.104 136 HD2 HIS 17 HD2 HIS 17 37.931 10.540 4.860 137 HE1 HIS 17 HE1 HIS 17 39.577 7.328 2.673 138 H GLY 18 HN GLY 18 41.953 11.490 -0.398 139 HA2 GLY 18 HA1 GLY 18 40.991 9.863 -1.961 140 HA3 GLY 18 HA2 GLY 18 39.408 10.066 -1.189 141 H MET 19 HN MET 19 39.674 12.854 -0.902 142 HA MET 19 HA MET 19 40.100 14.681 -2.476 143 HB2 MET 19 HB2 MET 19 40.149 13.580 -4.591 144 HB3 MET 19 HB1 MET 19 38.474 13.054 -4.415 145 HG2 MET 19 HG2 MET 19 38.644 14.981 -5.939 146 HG3 MET 19 HG1 MET 19 37.732 15.435 -4.485 147 HE1 MET 19 HE1 MET 19 38.342 17.493 -6.028 148 HE2 MET 19 HE2 MET 19 39.931 17.261 -6.797 149 HE3 MET 19 HE3 MET 19 39.691 18.583 -5.630 150 H ILE 20 HN ILE 20 39.396 15.706 -0.777 151 HA ILE 20 HA ILE 20 37.831 16.931 0.436 152 HB ILE 20 HB ILE 20 35.784 16.547 -1.796 153 HG12 ILE 20 HG12 ILE 20 38.131 18.499 -1.732 154 HG13 ILE 20 HG11 ILE 20 37.888 17.186 -2.900 155 HG21 ILE 20 HG21 ILE 20 36.378 19.039 -0.146 156 HG22 ILE 20 HG22 ILE 20 35.317 17.756 0.471 157 HG23 ILE 20 HG23 ILE 20 34.890 18.615 -1.023 158 HD11 ILE 20 HD1 ILE 20 37.113 19.130 -4.027 159 HD12 ILE 20 HD2 ILE 20 36.278 19.737 -2.578 160 HD13 ILE 20 HD3 ILE 20 35.630 18.329 -3.455 161 H GLN 21 HN GLN 21 38.139 14.018 0.103 162 HA GLN 21 HA GLN 21 37.289 12.261 1.472 163 HB2 GLN 21 HB2 GLN 21 35.749 14.096 2.640 164 HB3 GLN 21 HB1 GLN 21 34.496 13.456 1.552 165 HG2 GLN 21 HG2 GLN 21 35.073 11.131 2.413 166 HG3 GLN 21 HG1 GLN 21 36.095 11.918 3.640 167 HE21 GLN 21 HE21 GLN 21 35.014 13.375 5.226 168 HE22 GLN 21 HE22 GLN 21 33.289 13.169 5.546 169 H ASN 22 HN ASN 22 37.519 12.867 -1.259 170 HA ASN 22 HA ASN 22 36.737 12.321 -3.349 171 HB2 ASN 22 HB2 ASN 22 37.736 10.282 -2.770 172 HB3 ASN 22 HB1 ASN 22 36.337 9.778 -1.775 173 HD21 ASN 22 HD21 ASN 22 35.795 11.432 -4.869 174 HD22 ASN 22 HD22 ASN 22 35.219 10.004 -5.737 175 H HIS 23 HN HIS 23 35.144 13.996 -2.594 176 HA HIS 23 HA HIS 23 32.970 14.793 -2.834 177 HB2 HIS 23 HB2 HIS 23 33.224 13.581 -5.050 178 HB3 HIS 23 HB1 HIS 23 32.381 12.198 -4.310 179 HD1 HIS 23 HD1 HIS 23 29.884 12.229 -4.428 180 HD2 HIS 23 HD2 HIS 23 31.549 16.054 -4.962 181 HE1 HIS 23 HE1 HIS 23 27.961 13.833 -4.935 182 H HIS 24 HN HIS 24 32.048 14.894 -0.873 183 HA HIS 24 HA HIS 24 31.455 12.711 0.821 184 HB2 HIS 24 HB2 HIS 24 31.449 15.124 1.483 185 HB3 HIS 24 HB1 HIS 24 29.908 15.324 0.613 186 HD1 HIS 24 HD1 HIS 24 31.455 13.657 3.652 187 HD2 HIS 24 HD2 HIS 24 27.658 14.279 1.954 188 HE1 HIS 24 HE1 HIS 24 29.720 12.893 5.365 Start of MODEL 55 1 H1 PHE 1 HT1 PHE 1 63.448 9.483 2.375 2 H2 PHE 1 HT2 PHE 1 63.935 7.858 2.465 3 H3 PHE 1 HT3 PHE 1 64.440 8.967 3.648 4 HA PHE 1 HA PHE 1 62.775 7.786 4.673 5 HB2 PHE 1 HB2 PHE 1 61.578 10.310 3.464 6 HB3 PHE 1 HB1 PHE 1 60.921 9.437 4.868 7 HD1 PHE 1 HD1 PHE 1 62.134 9.389 7.015 8 HD2 PHE 1 HD2 PHE 1 63.661 11.583 3.626 9 HE1 PHE 1 HE1 PHE 1 63.722 10.591 8.510 10 HE2 PHE 1 HE2 PHE 1 65.250 12.786 5.121 11 HZ PHE 1 HZ PHE 1 65.308 12.262 7.557 12 H LEU 2 HN LEU 2 61.288 6.227 4.480 13 HA LEU 2 HA LEU 2 59.816 4.766 3.435 14 HB2 LEU 2 HB2 LEU 2 58.792 7.155 1.867 15 HB3 LEU 2 HB1 LEU 2 57.889 5.733 2.440 16 HG LEU 2 HG LEU 2 59.110 7.930 4.170 17 HD11 LEU 2 HD11 LEU 2 56.809 8.512 4.673 18 HD12 LEU 2 HD12 LEU 2 56.203 7.105 3.766 19 HD13 LEU 2 HD13 LEU 2 56.982 8.454 2.904 20 HD21 LEU 2 HD21 LEU 2 57.796 6.654 5.997 21 HD22 LEU 2 HD22 LEU 2 59.306 5.903 5.431 22 HD23 LEU 2 HD23 LEU 2 57.737 5.295 4.849 23 H GLY 3 HN GLY 3 58.737 4.452 0.989 24 HA2 GLY 3 HA1 GLY 3 60.622 4.997 -1.151 25 HA3 GLY 3 HA2 GLY 3 60.769 3.333 -0.551 26 H ALA 4 HN ALA 4 57.641 4.230 0.022 27 HA ALA 4 HA ALA 4 56.658 2.563 -2.158 28 HB1 ALA 4 HB1 ALA 4 55.076 4.339 -0.270 29 HB2 ALA 4 HB2 ALA 4 55.647 2.703 0.141 30 HB3 ALA 4 HB3 ALA 4 54.484 2.934 -1.187 31 H LEU 5 HN LEU 5 54.173 4.366 -2.296 32 HA LEU 5 HA LEU 5 54.795 5.571 -4.824 33 HB2 LEU 5 HB2 LEU 5 52.514 6.398 -2.994 34 HB3 LEU 5 HB1 LEU 5 52.572 6.442 -4.772 35 HG LEU 5 HG LEU 5 52.559 3.950 -3.012 36 HD11 LEU 5 HD11 LEU 5 50.386 3.537 -4.141 37 HD12 LEU 5 HD12 LEU 5 50.553 5.080 -5.014 38 HD13 LEU 5 HD13 LEU 5 50.370 5.074 -3.243 39 HD21 LEU 5 HD21 LEU 5 53.935 3.385 -4.877 40 HD22 LEU 5 HD22 LEU 5 52.953 4.352 -6.006 41 HD23 LEU 5 HD23 LEU 5 52.314 2.827 -5.347 42 H ILE 6 HN ILE 6 55.209 6.636 -1.549 43 HA ILE 6 HA ILE 6 55.637 8.781 -0.631 44 HB ILE 6 HB ILE 6 57.734 9.739 -1.540 45 HG12 ILE 6 HG12 ILE 6 57.525 7.671 -3.785 46 HG13 ILE 6 HG11 ILE 6 57.127 9.387 -4.001 47 HG21 ILE 6 HG21 ILE 6 59.140 7.849 -1.102 48 HG22 ILE 6 HG22 ILE 6 57.905 6.705 -1.680 49 HG23 ILE 6 HG23 ILE 6 57.655 7.591 -0.159 50 HD11 ILE 6 HD1 ILE 6 59.819 8.146 -3.342 51 HD12 ILE 6 HD2 ILE 6 59.497 9.876 -3.076 52 HD13 ILE 6 HD3 ILE 6 59.388 9.191 -4.713 53 H LYS 7 HN LYS 7 56.880 10.970 -2.435 54 HA LYS 7 HA LYS 7 55.918 13.003 -3.051 55 HB2 LYS 7 HB2 LYS 7 53.909 11.136 -4.417 56 HB3 LYS 7 HB1 LYS 7 53.858 12.908 -4.571 57 HG2 LYS 7 HG2 LYS 7 56.264 12.803 -5.395 58 HG3 LYS 7 HG1 LYS 7 56.086 11.033 -5.461 59 HD2 LYS 7 HD2 LYS 7 54.040 11.391 -6.928 60 HD3 LYS 7 HD1 LYS 7 54.485 13.113 -7.005 61 HE2 LYS 7 HE2 LYS 7 56.294 10.801 -7.832 62 HE3 LYS 7 HE1 LYS 7 55.370 11.828 -8.954 63 HZ1 LYS 7 HZ1 LYS 7 56.572 13.737 -7.717 64 HZ2 LYS 7 HZ2 LYS 7 57.417 12.855 -8.898 65 HZ3 LYS 7 HZ3 LYS 7 57.674 12.535 -7.249 66 H GLY 8 HN GLY 8 55.586 11.364 -0.924 67 HA2 GLY 8 HA1 GLY 8 54.425 10.737 0.863 68 HA3 GLY 8 HA2 GLY 8 54.211 12.519 1.061 69 H ALA 9 HN ALA 9 52.787 9.482 0.324 70 HA ALA 9 HA ALA 9 50.657 8.786 -0.155 71 HB1 ALA 9 HB1 ALA 9 50.244 9.469 2.110 72 HB2 ALA 9 HB2 ALA 9 48.863 10.020 1.130 73 HB3 ALA 9 HB3 ALA 9 50.117 11.178 1.633 74 H ILE 10 HN ILE 10 51.812 10.237 -2.190 75 HA ILE 10 HA ILE 10 51.392 11.704 -3.952 76 HB ILE 10 HB ILE 10 48.958 11.105 -4.968 77 HG12 ILE 10 HG12 ILE 10 49.484 8.853 -2.967 78 HG13 ILE 10 HG11 ILE 10 48.168 10.038 -2.852 79 HG21 ILE 10 HG21 ILE 10 51.132 8.974 -4.756 80 HG22 ILE 10 HG22 ILE 10 51.224 10.381 -5.842 81 HG23 ILE 10 HG23 ILE 10 49.945 9.173 -6.064 82 HD11 ILE 10 HD1 ILE 10 47.087 8.228 -3.886 83 HD12 ILE 10 HD2 ILE 10 48.524 7.777 -4.831 84 HD13 ILE 10 HD3 ILE 10 47.566 9.206 -5.293 85 H HIS 11 HN HIS 11 47.945 11.695 -3.320 86 HA HIS 11 HA HIS 11 47.713 14.488 -3.522 87 HB2 HIS 11 HB2 HIS 11 45.880 12.738 -1.855 88 HB3 HIS 11 HB1 HIS 11 45.478 14.242 -2.721 89 HD1 HIS 11 HD1 HIS 11 47.018 13.553 -5.401 90 HD2 HIS 11 HD2 HIS 11 44.347 10.979 -3.417 91 HE1 HIS 11 HE1 HIS 11 46.110 11.911 -7.137 92 H GLY 12 HN GLY 12 49.287 12.793 -1.031 93 HA2 GLY 12 HA1 GLY 12 48.389 14.350 1.230 94 HA3 GLY 12 HA2 GLY 12 49.930 13.482 1.105 95 H GLY 13 HN GLY 13 49.787 15.310 -1.574 96 HA2 GLY 13 HA1 GLY 13 50.449 17.934 -0.520 97 HA3 GLY 13 HA2 GLY 13 51.886 17.021 -1.026 98 H ARG 14 HN ARG 14 50.079 15.573 -3.022 99 HA ARG 14 HA ARG 14 50.631 17.376 -5.248 100 HB2 ARG 14 HB2 ARG 14 50.474 14.668 -4.999 101 HB3 ARG 14 HB1 ARG 14 48.840 14.976 -5.612 102 HG2 ARG 14 HG2 ARG 14 51.463 15.837 -6.924 103 HG3 ARG 14 HG1 ARG 14 50.391 14.531 -7.475 104 HD2 ARG 14 HD2 ARG 14 49.870 17.524 -7.484 105 HD3 ARG 14 HD1 ARG 14 49.862 16.398 -8.857 106 HE ARG 14 HE ARG 14 47.847 15.645 -6.926 107 HH11 ARG 14 HH11 ARG 14 45.725 15.844 -7.701 108 HH12 ARG 14 HH12 ARG 14 45.363 17.075 -8.865 109 HH21 ARG 14 HH21 ARG 14 48.651 18.136 -9.159 110 HH22 ARG 14 HH22 ARG 14 47.021 18.372 -9.691 111 H PHE 15 HN PHE 15 47.903 16.564 -3.202 112 HA PHE 15 HA PHE 15 45.665 17.253 -4.662 113 HB2 PHE 15 HB2 PHE 15 45.631 16.620 -2.274 114 HB3 PHE 15 HB1 PHE 15 46.315 18.206 -1.844 115 HD1 PHE 15 HD1 PHE 15 43.313 16.401 -3.019 116 HD2 PHE 15 HD2 PHE 15 44.987 20.271 -2.099 117 HE1 PHE 15 HE1 PHE 15 41.025 17.389 -3.013 118 HE2 PHE 15 HE2 PHE 15 42.701 21.259 -2.093 119 HZ PHE 15 HZ PHE 15 40.715 19.803 -2.474 120 H ILE 16 HN ILE 16 47.980 19.536 -3.154 121 HA ILE 16 HA ILE 16 46.523 21.867 -4.156 122 HB ILE 16 HB ILE 16 49.383 21.696 -3.116 123 HG12 ILE 16 HG12 ILE 16 47.440 20.861 -1.561 124 HG13 ILE 16 HG11 ILE 16 48.586 22.047 -0.917 125 HG21 ILE 16 HG21 ILE 16 48.913 24.143 -2.577 126 HG22 ILE 16 HG22 ILE 16 47.443 23.997 -3.571 127 HG23 ILE 16 HG23 ILE 16 49.045 23.751 -4.307 128 HD11 ILE 16 HD1 ILE 16 47.017 23.854 -1.201 129 HD12 ILE 16 HD2 ILE 16 46.129 22.522 -0.431 130 HD13 ILE 16 HD3 ILE 16 45.918 22.843 -2.164 131 H HIS 17 HN HIS 17 50.021 21.243 -4.731 132 HA HIS 17 HA HIS 17 49.624 20.919 -7.599 133 HB2 HIS 17 HB2 HIS 17 49.031 23.326 -7.381 134 HB3 HIS 17 HB1 HIS 17 50.645 23.640 -6.707 135 HD1 HIS 17 HD1 HIS 17 52.463 24.140 -8.351 136 HD2 HIS 17 HD2 HIS 17 49.287 22.016 -10.106 137 HE1 HIS 17 HE1 HIS 17 52.938 23.996 -10.858 138 H GLY 18 HN GLY 18 51.101 19.694 -5.434 139 HA2 GLY 18 HA1 GLY 18 53.306 18.631 -6.348 140 HA3 GLY 18 HA2 GLY 18 53.947 20.282 -6.159 141 H MET 19 HN MET 19 52.829 21.194 -3.999 142 HA MET 19 HA MET 19 52.492 19.723 -1.756 143 HB2 MET 19 HB2 MET 19 55.280 19.455 -2.511 144 HB3 MET 19 HB1 MET 19 55.191 20.367 -0.993 145 HG2 MET 19 HG2 MET 19 53.657 18.505 -0.121 146 HG3 MET 19 HG1 MET 19 54.107 17.585 -1.577 147 HE1 MET 19 HE1 MET 19 55.446 19.746 1.297 148 HE2 MET 19 HE2 MET 19 56.649 18.685 2.069 149 HE3 MET 19 HE3 MET 19 54.930 18.221 2.055 150 H ILE 20 HN ILE 20 51.081 21.412 -1.606 151 HA ILE 20 HA ILE 20 50.426 23.514 -0.870 152 HB ILE 20 HB ILE 20 53.149 23.382 0.517 153 HG12 ILE 20 HG12 ILE 20 51.775 23.102 2.531 154 HG13 ILE 20 HG11 ILE 20 50.289 23.338 1.583 155 HG21 ILE 20 HG21 ILE 20 51.179 25.676 0.336 156 HG22 ILE 20 HG22 ILE 20 52.958 25.717 0.416 157 HG23 ILE 20 HG23 ILE 20 52.013 25.389 1.881 158 HD11 ILE 20 HD1 ILE 20 51.034 20.892 2.139 159 HD12 ILE 20 HD2 ILE 20 52.247 21.132 0.860 160 HD13 ILE 20 HD3 ILE 20 50.512 21.256 0.479 161 H GLN 21 HN GLN 21 52.110 22.688 -3.166 162 HA GLN 21 HA GLN 21 52.437 23.880 -5.207 163 HB2 GLN 21 HB2 GLN 21 51.595 26.076 -4.017 164 HB3 GLN 21 HB1 GLN 21 53.320 26.377 -3.696 165 HG2 GLN 21 HG2 GLN 21 53.742 26.043 -6.181 166 HG3 GLN 21 HG1 GLN 21 51.976 26.028 -6.409 167 HE21 GLN 21 HE21 GLN 21 52.021 28.021 -3.901 168 HE22 GLN 21 HE22 GLN 21 52.327 29.571 -4.693 169 H ASN 22 HN ASN 22 53.866 22.258 -3.426 170 HA ASN 22 HA ASN 22 55.990 21.599 -2.832 171 HB2 ASN 22 HB2 ASN 22 57.596 21.602 -4.745 172 HB3 ASN 22 HB1 ASN 22 55.973 20.960 -5.128 173 HD21 ASN 22 HD21 ASN 22 58.031 23.930 -5.399 174 HD22 ASN 22 HD22 ASN 22 57.164 24.575 -6.797 175 H HIS 23 HN HIS 23 55.365 23.816 -1.606 176 HA HIS 23 HA HIS 23 56.259 25.727 -0.597 177 HB2 HIS 23 HB2 HIS 23 57.782 23.947 0.250 178 HB3 HIS 23 HB1 HIS 23 58.884 24.274 -1.108 179 HD1 HIS 23 HD1 HIS 23 57.638 25.681 2.165 180 HD2 HIS 23 HD2 HIS 23 60.218 26.824 -0.952 181 HE1 HIS 23 HE1 HIS 23 59.005 27.671 3.000 182 H HIS 24 HN HIS 24 55.885 27.470 -1.876 183 HA HIS 24 HA HIS 24 57.379 27.956 -4.318 184 HB2 HIS 24 HB2 HIS 24 56.275 30.175 -4.254 185 HB3 HIS 24 HB1 HIS 24 55.115 28.852 -3.984 186 HD1 HIS 24 HD1 HIS 24 54.573 28.312 -1.356 187 HD2 HIS 24 HD2 HIS 24 56.223 32.076 -2.245 188 HE1 HIS 24 HE1 HIS 24 54.181 29.815 0.674 Start of MODEL 56 1 H1 PHE 1 HT1 PHE 1 62.357 7.166 -9.351 2 H2 PHE 1 HT2 PHE 1 61.901 6.503 -7.855 3 H3 PHE 1 HT3 PHE 1 60.728 7.171 -8.886 4 HA PHE 1 HA PHE 1 61.497 5.453 -10.560 5 HB2 PHE 1 HB2 PHE 1 62.473 4.245 -7.940 6 HB3 PHE 1 HB1 PHE 1 62.388 3.404 -9.507 7 HD1 PHE 1 HD1 PHE 1 64.015 6.209 -7.653 8 HD2 PHE 1 HD2 PHE 1 64.054 3.771 -11.216 9 HE1 PHE 1 HE1 PHE 1 66.249 7.128 -8.256 10 HE2 PHE 1 HE2 PHE 1 66.290 4.691 -11.818 11 HZ PHE 1 HZ PHE 1 67.437 6.277 -10.276 12 H LEU 2 HN LEU 2 60.382 5.199 -7.163 13 HA LEU 2 HA LEU 2 58.316 3.264 -7.781 14 HB2 LEU 2 HB2 LEU 2 58.302 5.176 -5.422 15 HB3 LEU 2 HB1 LEU 2 57.629 3.532 -5.521 16 HG LEU 2 HG LEU 2 60.586 4.283 -5.606 17 HD11 LEU 2 HD11 LEU 2 58.889 2.808 -3.543 18 HD12 LEU 2 HD12 LEU 2 59.569 4.444 -3.365 19 HD13 LEU 2 HD13 LEU 2 60.652 3.034 -3.455 20 HD21 LEU 2 HD21 LEU 2 60.809 1.707 -5.422 21 HD22 LEU 2 HD22 LEU 2 60.346 2.362 -7.010 22 HD23 LEU 2 HD23 LEU 2 59.110 1.640 -5.950 23 H GLY 3 HN GLY 3 56.054 4.229 -6.529 24 HA2 GLY 3 HA1 GLY 3 55.212 6.779 -7.583 25 HA3 GLY 3 HA2 GLY 3 54.655 5.454 -8.625 26 H ALA 4 HN ALA 4 55.019 5.797 -5.071 27 HA ALA 4 HA ALA 4 52.138 5.869 -4.655 28 HB1 ALA 4 HB1 ALA 4 51.943 3.685 -3.534 29 HB2 ALA 4 HB2 ALA 4 53.620 3.302 -3.990 30 HB3 ALA 4 HB3 ALA 4 52.378 3.494 -5.249 31 H LEU 5 HN LEU 5 55.267 4.860 -3.210 32 HA LEU 5 HA LEU 5 54.515 5.693 -0.543 33 HB2 LEU 5 HB2 LEU 5 57.360 5.500 -1.582 34 HB3 LEU 5 HB1 LEU 5 56.755 5.196 0.064 35 HG LEU 5 HG LEU 5 56.220 3.513 -2.424 36 HD11 LEU 5 HD11 LEU 5 57.513 1.817 -1.281 37 HD12 LEU 5 HD12 LEU 5 57.589 2.797 0.202 38 HD13 LEU 5 HD13 LEU 5 58.467 3.318 -1.256 39 HD21 LEU 5 HD21 LEU 5 55.094 1.983 -0.669 40 HD22 LEU 5 HD22 LEU 5 54.192 3.438 -1.148 41 HD23 LEU 5 HD23 LEU 5 55.074 3.407 0.398 42 H ILE 6 HN ILE 6 56.790 7.130 -2.936 43 HA ILE 6 HA ILE 6 56.846 9.669 -1.383 44 HB ILE 6 HB ILE 6 58.350 10.462 -3.180 45 HG12 ILE 6 HG12 ILE 6 57.601 7.846 -4.574 46 HG13 ILE 6 HG11 ILE 6 57.213 9.488 -5.136 47 HG21 ILE 6 HG21 ILE 6 60.169 8.949 -2.814 48 HG22 ILE 6 HG22 ILE 6 59.072 7.559 -2.622 49 HG23 ILE 6 HG23 ILE 6 59.141 8.820 -1.368 50 HD11 ILE 6 HD1 ILE 6 59.788 9.895 -5.091 51 HD12 ILE 6 HD2 ILE 6 59.125 8.892 -6.403 52 HD13 ILE 6 HD3 ILE 6 59.920 8.122 -5.011 53 H LYS 7 HN LYS 7 56.970 11.384 -3.801 54 HA LYS 7 HA LYS 7 55.390 12.883 -4.627 55 HB2 LYS 7 HB2 LYS 7 54.714 10.682 -5.971 56 HB3 LYS 7 HB1 LYS 7 53.347 10.624 -4.834 57 HG2 LYS 7 HG2 LYS 7 52.594 12.833 -5.538 58 HG3 LYS 7 HG1 LYS 7 54.043 13.052 -6.548 59 HD2 LYS 7 HD2 LYS 7 53.374 11.203 -7.998 60 HD3 LYS 7 HD1 LYS 7 51.982 10.842 -6.949 61 HE2 LYS 7 HE2 LYS 7 51.117 13.167 -7.401 62 HE3 LYS 7 HE1 LYS 7 52.440 13.380 -8.573 63 HZ1 LYS 7 HZ1 LYS 7 50.276 12.608 -9.530 64 HZ2 LYS 7 HZ2 LYS 7 50.489 11.140 -8.702 65 HZ3 LYS 7 HZ3 LYS 7 51.604 11.618 -9.891 66 H GLY 8 HN GLY 8 55.939 11.884 -2.173 67 HA2 GLY 8 HA1 GLY 8 55.400 11.583 -0.052 68 HA3 GLY 8 HA2 GLY 8 54.692 13.236 -0.217 69 H ALA 9 HN ALA 9 54.098 9.771 -0.295 70 HA ALA 9 HA ALA 9 52.212 8.511 0.099 71 HB1 ALA 9 HB1 ALA 9 51.045 11.008 1.368 72 HB2 ALA 9 HB2 ALA 9 52.223 9.951 2.182 73 HB3 ALA 9 HB3 ALA 9 50.630 9.312 1.710 74 H ILE 10 HN ILE 10 52.104 8.767 -2.328 75 HA ILE 10 HA ILE 10 50.784 8.930 -4.202 76 HB ILE 10 HB ILE 10 48.731 9.045 -2.004 77 HG12 ILE 10 HG12 ILE 10 48.699 7.550 -4.656 78 HG13 ILE 10 HG11 ILE 10 49.628 6.983 -3.252 79 HG21 ILE 10 HG21 ILE 10 47.764 10.847 -3.230 80 HG22 ILE 10 HG22 ILE 10 46.881 9.397 -3.748 81 HG23 ILE 10 HG23 ILE 10 48.139 10.086 -4.796 82 HD11 ILE 10 HD1 ILE 10 47.629 5.812 -2.930 83 HD12 ILE 10 HD2 ILE 10 46.630 7.092 -3.645 84 HD13 ILE 10 HD3 ILE 10 47.266 7.278 -1.995 85 H HIS 11 HN HIS 11 49.490 11.545 -2.083 86 HA HIS 11 HA HIS 11 50.742 13.579 -3.814 87 HB2 HIS 11 HB2 HIS 11 48.671 13.043 -5.060 88 HB3 HIS 11 HB1 HIS 11 47.712 13.326 -3.587 89 HD1 HIS 11 HD1 HIS 11 47.386 15.767 -2.780 90 HD2 HIS 11 HD2 HIS 11 49.662 15.412 -6.300 91 HE1 HIS 11 HE1 HIS 11 47.646 18.112 -3.759 92 H GLY 12 HN GLY 12 49.858 12.349 -0.926 93 HA2 GLY 12 HA1 GLY 12 49.717 13.236 1.212 94 HA3 GLY 12 HA2 GLY 12 50.599 14.640 0.574 95 H GLY 13 HN GLY 13 47.602 13.792 -0.927 96 HA2 GLY 13 HA1 GLY 13 45.960 15.532 0.790 97 HA3 GLY 13 HA2 GLY 13 46.336 16.204 -0.811 98 H ARG 14 HN ARG 14 46.432 13.472 -2.016 99 HA ARG 14 HA ARG 14 43.469 13.165 -2.324 100 HB2 ARG 14 HB2 ARG 14 45.426 13.387 -4.219 101 HB3 ARG 14 HB1 ARG 14 45.390 11.622 -4.059 102 HG2 ARG 14 HG2 ARG 14 43.008 13.435 -4.680 103 HG3 ARG 14 HG1 ARG 14 43.839 12.362 -5.828 104 HD2 ARG 14 HD2 ARG 14 42.121 11.597 -3.439 105 HD3 ARG 14 HD1 ARG 14 41.902 11.155 -5.145 106 HE ARG 14 HE ARG 14 44.420 10.128 -4.267 107 HH11 ARG 14 HH11 ARG 14 44.234 7.824 -4.697 108 HH12 ARG 14 HH12 ARG 14 42.933 6.987 -3.919 109 HH21 ARG 14 HH21 ARG 14 41.349 9.888 -2.865 110 HH22 ARG 14 HH22 ARG 14 41.299 8.157 -2.880 111 H PHE 15 HN PHE 15 46.322 11.674 -1.017 112 HA PHE 15 HA PHE 15 45.841 8.956 -1.012 113 HB2 PHE 15 HB2 PHE 15 47.709 10.118 0.182 114 HB3 PHE 15 HB1 PHE 15 46.567 10.559 1.471 115 HD1 PHE 15 HD1 PHE 15 48.647 7.903 0.066 116 HD2 PHE 15 HD2 PHE 15 45.381 8.729 2.764 117 HE1 PHE 15 HE1 PHE 15 48.958 5.672 1.127 118 HE2 PHE 15 HE2 PHE 15 45.695 6.498 3.826 119 HZ PHE 15 HZ PHE 15 47.441 4.945 2.964 120 H ILE 16 HN ILE 16 44.598 11.081 1.627 121 HA ILE 16 HA ILE 16 42.714 9.035 2.483 122 HB ILE 16 HB ILE 16 42.615 12.005 3.176 123 HG12 ILE 16 HG12 ILE 16 44.197 9.769 4.528 124 HG13 ILE 16 HG11 ILE 16 44.909 11.062 3.533 125 HG21 ILE 16 HG21 ILE 16 41.826 9.535 4.780 126 HG22 ILE 16 HG22 ILE 16 40.680 10.474 3.794 127 HG23 ILE 16 HG23 ILE 16 41.492 11.234 5.181 128 HD11 ILE 16 HD1 ILE 16 43.664 12.687 5.189 129 HD12 ILE 16 HD2 ILE 16 45.161 11.892 5.730 130 HD13 ILE 16 HD3 ILE 16 43.584 11.263 6.255 131 H HIS 17 HN HIS 17 41.845 12.413 1.623 132 HA HIS 17 HA HIS 17 40.247 11.749 -0.656 133 HB2 HIS 17 HB2 HIS 17 38.800 10.563 0.956 134 HB3 HIS 17 HB1 HIS 17 38.721 12.018 1.973 135 HD1 HIS 17 HD1 HIS 17 36.968 13.739 1.416 136 HD2 HIS 17 HD2 HIS 17 37.616 11.034 -1.737 137 HE1 HIS 17 HE1 HIS 17 35.182 14.192 -0.355 138 H GLY 18 HN GLY 18 41.724 13.617 -0.988 139 HA2 GLY 18 HA1 GLY 18 42.000 15.910 -1.244 140 HA3 GLY 18 HA2 GLY 18 40.275 16.078 -0.908 141 H MET 19 HN MET 19 42.997 14.875 1.033 142 HA MET 19 HA MET 19 43.421 15.457 3.192 143 HB2 MET 19 HB2 MET 19 44.458 17.262 1.770 144 HB3 MET 19 HB1 MET 19 43.094 18.256 2.308 145 HG2 MET 19 HG2 MET 19 43.859 18.327 4.543 146 HG3 MET 19 HG1 MET 19 44.839 16.854 4.362 147 HE1 MET 19 HE1 MET 19 46.901 17.854 5.460 148 HE2 MET 19 HE2 MET 19 45.930 19.304 5.804 149 HE3 MET 19 HE3 MET 19 47.559 19.470 5.106 150 H ILE 20 HN ILE 20 40.516 15.334 2.405 151 HA ILE 20 HA ILE 20 38.522 15.688 3.544 152 HB ILE 20 HB ILE 20 40.181 16.322 6.033 153 HG12 ILE 20 HG12 ILE 20 41.037 14.206 5.329 154 HG13 ILE 20 HG11 ILE 20 39.813 13.816 6.551 155 HG21 ILE 20 HG21 ILE 20 37.911 16.871 6.414 156 HG22 ILE 20 HG22 ILE 20 38.087 15.249 7.113 157 HG23 ILE 20 HG23 ILE 20 37.312 15.455 5.528 158 HD11 ILE 20 HD1 ILE 20 39.426 12.296 4.745 159 HD12 ILE 20 HD2 ILE 20 39.596 13.578 3.526 160 HD13 ILE 20 HD3 ILE 20 38.165 13.534 4.578 161 H GLN 21 HN GLN 21 41.100 17.833 3.172 162 HA GLN 21 HA GLN 21 39.402 20.240 3.957 163 HB2 GLN 21 HB2 GLN 21 41.855 19.922 4.775 164 HB3 GLN 21 HB1 GLN 21 42.320 20.308 3.103 165 HG2 GLN 21 HG2 GLN 21 40.895 22.409 3.295 166 HG3 GLN 21 HG1 GLN 21 40.739 22.053 5.032 167 HE21 GLN 21 HE21 GLN 21 41.972 24.436 4.517 168 HE22 GLN 21 HE22 GLN 21 43.719 24.300 4.737 169 H ASN 22 HN ASN 22 41.287 18.730 1.300 170 HA ASN 22 HA ASN 22 40.345 20.769 -0.620 171 HB2 ASN 22 HB2 ASN 22 42.091 18.275 -0.719 172 HB3 ASN 22 HB1 ASN 22 41.491 19.029 -2.221 173 HD21 ASN 22 HD21 ASN 22 43.808 19.547 -2.726 174 HD22 ASN 22 HD22 ASN 22 44.558 20.937 -1.936 175 H HIS 23 HN HIS 23 39.637 17.577 0.679 176 HA HIS 23 HA HIS 23 37.999 16.012 0.055 177 HB2 HIS 23 HB2 HIS 23 35.716 17.000 -0.034 178 HB3 HIS 23 HB1 HIS 23 36.691 17.642 1.309 179 HD1 HIS 23 HD1 HIS 23 36.002 18.556 -2.372 180 HD2 HIS 23 HD2 HIS 23 36.751 20.400 1.331 181 HE1 HIS 23 HE1 HIS 23 35.789 21.078 -2.720 182 H HIS 24 HN HIS 24 39.599 17.215 -2.230 183 HA HIS 24 HA HIS 24 39.576 17.135 -4.551 184 HB2 HIS 24 HB2 HIS 24 39.152 14.747 -4.088 185 HB3 HIS 24 HB1 HIS 24 37.402 15.064 -4.041 186 HD1 HIS 24 HD1 HIS 24 39.379 16.995 -6.554 187 HD2 HIS 24 HD2 HIS 24 37.085 13.473 -6.436 188 HE1 HIS 24 HE1 HIS 24 38.965 16.274 -8.969 Start of MODEL 57 1 H1 PHE 1 HT1 PHE 1 48.840 3.291 4.259 2 H2 PHE 1 HT2 PHE 1 49.176 3.017 5.903 3 H3 PHE 1 HT3 PHE 1 48.832 1.711 4.872 4 HA PHE 1 HA PHE 1 51.282 3.065 5.371 5 HB2 PHE 1 HB2 PHE 1 50.735 0.527 3.793 6 HB3 PHE 1 HB1 PHE 1 52.208 0.971 4.689 7 HD1 PHE 1 HD1 PHE 1 48.840 -0.450 4.920 8 HD2 PHE 1 HD2 PHE 1 52.153 1.114 7.202 9 HE1 PHE 1 HE1 PHE 1 47.917 -1.502 6.982 10 HE2 PHE 1 HE2 PHE 1 51.229 0.062 9.264 11 HZ PHE 1 HZ PHE 1 49.132 -1.279 9.146 12 H LEU 2 HN LEU 2 52.429 1.673 2.939 13 HA LEU 2 HA LEU 2 52.488 4.024 1.242 14 HB2 LEU 2 HB2 LEU 2 53.400 1.233 0.462 15 HB3 LEU 2 HB1 LEU 2 54.029 2.800 -0.100 16 HG LEU 2 HG LEU 2 54.247 1.679 2.730 17 HD11 LEU 2 HD11 LEU 2 56.320 2.184 0.548 18 HD12 LEU 2 HD12 LEU 2 55.751 0.592 1.105 19 HD13 LEU 2 HD13 LEU 2 56.680 1.640 2.203 20 HD21 LEU 2 HD21 LEU 2 54.082 4.050 2.969 21 HD22 LEU 2 HD22 LEU 2 55.022 4.352 1.488 22 HD23 LEU 2 HD23 LEU 2 55.829 3.730 2.947 23 H GLY 3 HN GLY 3 51.970 4.043 -1.067 24 HA2 GLY 3 HA1 GLY 3 50.123 2.102 -2.153 25 HA3 GLY 3 HA2 GLY 3 49.264 3.540 -1.572 26 H ALA 4 HN ALA 4 52.359 4.452 -2.443 27 HA ALA 4 HA ALA 4 52.064 4.591 -5.318 28 HB1 ALA 4 HB1 ALA 4 50.288 6.202 -4.640 29 HB2 ALA 4 HB2 ALA 4 51.606 6.963 -5.563 30 HB3 ALA 4 HB3 ALA 4 51.525 7.162 -3.795 31 H LEU 5 HN LEU 5 53.740 4.743 -2.483 32 HA LEU 5 HA LEU 5 55.929 5.267 -1.937 33 HB2 LEU 5 HB2 LEU 5 56.140 4.853 -4.938 34 HB3 LEU 5 HB1 LEU 5 57.567 5.221 -3.950 35 HG LEU 5 HG LEU 5 57.091 2.740 -4.402 36 HD11 LEU 5 HD11 LEU 5 58.496 3.719 -2.452 37 HD12 LEU 5 HD12 LEU 5 57.926 2.045 -2.299 38 HD13 LEU 5 HD13 LEU 5 57.097 3.344 -1.420 39 HD21 LEU 5 HD21 LEU 5 54.590 2.987 -4.022 40 HD22 LEU 5 HD22 LEU 5 54.933 3.114 -2.281 41 HD23 LEU 5 HD23 LEU 5 55.349 1.628 -3.164 42 H ILE 6 HN ILE 6 56.189 7.227 -1.092 43 HA ILE 6 HA ILE 6 56.439 9.553 -0.943 44 HB ILE 6 HB ILE 6 57.623 9.582 -3.765 45 HG12 ILE 6 HG12 ILE 6 58.886 8.300 -1.296 46 HG13 ILE 6 HG11 ILE 6 58.489 7.488 -2.827 47 HG21 ILE 6 HG21 ILE 6 57.464 11.583 -2.073 48 HG22 ILE 6 HG22 ILE 6 59.022 11.280 -2.874 49 HG23 ILE 6 HG23 ILE 6 58.766 10.748 -1.195 50 HD11 ILE 6 HD1 ILE 6 60.053 9.190 -3.963 51 HD12 ILE 6 HD2 ILE 6 60.830 7.953 -2.946 52 HD13 ILE 6 HD3 ILE 6 60.611 9.606 -2.324 53 H LYS 7 HN LYS 7 56.567 11.198 -3.593 54 HA LYS 7 HA LYS 7 54.956 12.666 -4.412 55 HB2 LYS 7 HB2 LYS 7 54.182 10.328 -5.511 56 HB3 LYS 7 HB1 LYS 7 52.839 10.482 -4.363 57 HG2 LYS 7 HG2 LYS 7 51.966 11.565 -6.263 58 HG3 LYS 7 HG1 LYS 7 52.621 12.935 -5.338 59 HD2 LYS 7 HD2 LYS 7 54.646 12.954 -6.716 60 HD3 LYS 7 HD1 LYS 7 54.132 11.472 -7.556 61 HE2 LYS 7 HE2 LYS 7 52.158 12.643 -8.453 62 HE3 LYS 7 HE1 LYS 7 52.630 14.126 -7.587 63 HZ1 LYS 7 HZ1 LYS 7 53.318 14.003 -9.982 64 HZ2 LYS 7 HZ2 LYS 7 54.392 12.758 -9.553 65 HZ3 LYS 7 HZ3 LYS 7 54.579 14.311 -8.889 66 H GLY 8 HN GLY 8 55.607 11.831 -1.922 67 HA2 GLY 8 HA1 GLY 8 55.139 11.657 0.244 68 HA3 GLY 8 HA2 GLY 8 54.525 13.339 0.000 69 H ALA 9 HN ALA 9 53.728 9.931 0.214 70 HA ALA 9 HA ALA 9 51.776 8.819 0.708 71 HB1 ALA 9 HB1 ALA 9 50.987 11.467 1.977 72 HB2 ALA 9 HB2 ALA 9 51.955 10.201 2.766 73 HB3 ALA 9 HB3 ALA 9 50.265 9.876 2.312 74 H ILE 10 HN ILE 10 51.530 8.946 -1.679 75 HA ILE 10 HA ILE 10 50.122 9.130 -3.493 76 HB ILE 10 HB ILE 10 48.183 9.806 -1.255 77 HG12 ILE 10 HG12 ILE 10 46.941 7.926 -2.276 78 HG13 ILE 10 HG11 ILE 10 48.130 7.851 -3.597 79 HG21 ILE 10 HG21 ILE 10 47.407 11.482 -2.735 80 HG22 ILE 10 HG22 ILE 10 46.367 10.076 -3.071 81 HG23 ILE 10 HG23 ILE 10 47.707 10.476 -4.174 82 HD11 ILE 10 HD1 ILE 10 48.842 7.546 -0.648 83 HD12 ILE 10 HD2 ILE 10 49.907 7.266 -2.047 84 HD13 ILE 10 HD3 ILE 10 48.534 6.175 -1.742 85 H HIS 11 HN HIS 11 49.224 12.011 -1.557 86 HA HIS 11 HA HIS 11 50.602 13.758 -3.543 87 HB2 HIS 11 HB2 HIS 11 47.640 13.849 -2.855 88 HB3 HIS 11 HB1 HIS 11 48.514 15.182 -3.649 89 HD1 HIS 11 HD1 HIS 11 50.299 13.670 -5.624 90 HD2 HIS 11 HD2 HIS 11 46.284 12.628 -4.936 91 HE1 HIS 11 HE1 HIS 11 49.469 12.427 -7.696 92 H GLY 12 HN GLY 12 49.689 12.800 -0.487 93 HA2 GLY 12 HA1 GLY 12 50.260 13.688 1.584 94 HA3 GLY 12 HA2 GLY 12 51.056 15.040 0.759 95 H GLY 13 HN GLY 13 47.860 14.654 -0.354 96 HA2 GLY 13 HA1 GLY 13 46.342 15.831 1.711 97 HA3 GLY 13 HA2 GLY 13 47.078 17.167 0.809 98 H ARG 14 HN ARG 14 45.668 14.001 -0.212 99 HA ARG 14 HA ARG 14 43.353 15.356 -1.363 100 HB2 ARG 14 HB2 ARG 14 45.051 15.889 -3.103 101 HB3 ARG 14 HB1 ARG 14 45.389 14.155 -3.280 102 HG2 ARG 14 HG2 ARG 14 43.843 14.937 -5.042 103 HG3 ARG 14 HG1 ARG 14 43.056 13.744 -3.991 104 HD2 ARG 14 HD2 ARG 14 41.666 15.355 -2.989 105 HD3 ARG 14 HD1 ARG 14 42.784 16.696 -3.347 106 HE ARG 14 HE ARG 14 41.978 15.816 -5.853 107 HH11 ARG 14 HH11 ARG 14 39.631 15.270 -3.715 108 HH12 ARG 14 HH12 ARG 14 38.580 16.569 -4.170 109 HH21 ARG 14 HH21 ARG 14 40.959 18.161 -6.128 110 HH22 ARG 14 HH22 ARG 14 39.331 18.205 -5.538 111 H PHE 15 HN PHE 15 45.356 12.561 -0.773 112 HA PHE 15 HA PHE 15 43.872 10.460 -1.830 113 HB2 PHE 15 HB2 PHE 15 45.942 10.142 -0.550 114 HB3 PHE 15 HB1 PHE 15 45.108 10.616 0.948 115 HD1 PHE 15 HD1 PHE 15 44.307 8.860 2.313 116 HD2 PHE 15 HD2 PHE 15 44.620 8.231 -1.951 117 HE1 PHE 15 HE1 PHE 15 43.541 6.509 2.600 118 HE2 PHE 15 HE2 PHE 15 43.852 5.882 -1.658 119 HZ PHE 15 HZ PHE 15 43.364 5.005 0.621 120 H ILE 16 HN ILE 16 42.838 12.779 0.510 121 HA ILE 16 HA ILE 16 40.279 11.244 0.855 122 HB ILE 16 HB ILE 16 41.542 12.881 3.094 123 HG12 ILE 16 HG12 ILE 16 42.858 10.739 2.462 124 HG13 ILE 16 HG11 ILE 16 42.336 10.904 4.147 125 HG21 ILE 16 HG21 ILE 16 39.167 12.757 3.322 126 HG22 ILE 16 HG22 ILE 16 39.829 11.539 4.435 127 HG23 ILE 16 HG23 ILE 16 39.136 11.035 2.880 128 HD11 ILE 16 HD1 ILE 16 40.516 9.352 3.831 129 HD12 ILE 16 HD2 ILE 16 41.961 8.607 3.115 130 HD13 ILE 16 HD3 ILE 16 40.737 9.347 2.067 131 H HIS 17 HN HIS 17 41.363 14.418 2.206 132 HA HIS 17 HA HIS 17 39.675 15.805 0.178 133 HB2 HIS 17 HB2 HIS 17 39.098 15.866 3.165 134 HB3 HIS 17 HB1 HIS 17 38.407 16.998 1.980 135 HD1 HIS 17 HD1 HIS 17 37.712 15.171 -0.353 136 HD2 HIS 17 HD2 HIS 17 37.045 14.081 3.655 137 HE1 HIS 17 HE1 HIS 17 35.875 13.396 -0.343 138 H GLY 18 HN GLY 18 42.549 15.565 1.407 139 HA2 GLY 18 HA1 GLY 18 44.296 17.046 1.729 140 HA3 GLY 18 HA2 GLY 18 43.299 18.266 0.907 141 H MET 19 HN MET 19 42.975 16.434 3.930 142 HA MET 19 HA MET 19 43.541 18.566 5.759 143 HB2 MET 19 HB2 MET 19 41.618 19.547 4.780 144 HB3 MET 19 HB1 MET 19 40.710 18.073 5.060 145 HG2 MET 19 HG2 MET 19 40.753 18.382 7.444 146 HG3 MET 19 HG1 MET 19 41.999 19.646 7.317 147 HE1 MET 19 HE1 MET 19 38.348 18.774 7.560 148 HE2 MET 19 HE2 MET 19 38.532 18.681 5.793 149 HE3 MET 19 HE3 MET 19 37.493 19.932 6.513 150 H ILE 20 HN ILE 20 41.166 15.926 5.139 151 HA ILE 20 HA ILE 20 41.511 14.852 7.853 152 HB ILE 20 HB ILE 20 40.416 13.679 5.243 153 HG12 ILE 20 HG12 ILE 20 38.289 13.710 6.415 154 HG13 ILE 20 HG11 ILE 20 39.081 14.119 7.953 155 HG21 ILE 20 HG21 ILE 20 39.726 11.710 6.784 156 HG22 ILE 20 HG22 ILE 20 40.955 12.322 7.917 157 HG23 ILE 20 HG23 ILE 20 41.434 11.782 6.290 158 HD11 ILE 20 HD1 ILE 20 37.947 16.055 6.663 159 HD12 ILE 20 HD2 ILE 20 39.300 15.923 5.516 160 HD13 ILE 20 HD3 ILE 20 39.615 16.321 7.221 161 H GLN 21 HN GLN 21 43.186 15.356 5.081 162 HA GLN 21 HA GLN 21 45.351 13.429 5.752 163 HB2 GLN 21 HB2 GLN 21 44.045 12.989 3.560 164 HB3 GLN 21 HB1 GLN 21 44.754 14.509 2.970 165 HG2 GLN 21 HG2 GLN 21 46.231 12.757 2.244 166 HG3 GLN 21 HG1 GLN 21 47.040 13.545 3.619 167 HE21 GLN 21 HE21 GLN 21 44.538 10.923 3.192 168 HE22 GLN 21 HE22 GLN 21 45.310 9.824 4.339 169 H ASN 22 HN ASN 22 44.228 16.868 5.111 170 HA ASN 22 HA ASN 22 47.229 17.570 5.182 171 HB2 ASN 22 HB2 ASN 22 45.734 18.288 3.162 172 HB3 ASN 22 HB1 ASN 22 45.075 19.495 4.285 173 HD21 ASN 22 HD21 ASN 22 46.766 19.995 1.868 174 HD22 ASN 22 HD22 ASN 22 48.207 20.817 2.474 175 H HIS 23 HN HIS 23 45.024 17.069 7.352 176 HA HIS 23 HA HIS 23 44.353 18.079 9.353 177 HB2 HIS 23 HB2 HIS 23 47.278 18.881 9.134 178 HB3 HIS 23 HB1 HIS 23 46.311 19.045 10.619 179 HD1 HIS 23 HD1 HIS 23 45.167 16.730 11.512 180 HD2 HIS 23 HD2 HIS 23 48.393 16.364 8.841 181 HE1 HIS 23 HE1 HIS 23 46.010 14.322 11.662 182 H HIS 24 HN HIS 24 44.250 19.834 6.793 183 HA HIS 24 HA HIS 24 44.808 22.521 7.440 184 HB2 HIS 24 HB2 HIS 24 44.016 21.569 5.210 185 HB3 HIS 24 HB1 HIS 24 42.369 21.586 5.883 186 HD1 HIS 24 HD1 HIS 24 45.265 23.925 5.023 187 HD2 HIS 24 HD2 HIS 24 41.143 24.095 5.835 188 HE1 HIS 24 HE1 HIS 24 44.503 26.327 4.600 Start of MODEL 58 1 H1 PHE 1 HT1 PHE 1 63.858 -1.004 1.156 2 H2 PHE 1 HT2 PHE 1 63.361 -1.283 2.756 3 H3 PHE 1 HT3 PHE 1 63.407 0.300 2.140 4 HA PHE 1 HA PHE 1 61.831 -1.216 0.440 5 HB2 PHE 1 HB2 PHE 1 61.134 -1.475 3.393 6 HB3 PHE 1 HB1 PHE 1 60.046 -1.885 2.044 7 HD1 PHE 1 HD1 PHE 1 60.416 -3.866 0.675 8 HD2 PHE 1 HD2 PHE 1 63.188 -2.798 3.806 9 HE1 PHE 1 HE1 PHE 1 61.481 -6.112 0.499 10 HE2 PHE 1 HE2 PHE 1 64.254 -5.043 3.628 11 HZ PHE 1 HZ PHE 1 63.451 -6.669 1.920 12 H LEU 2 HN LEU 2 59.326 -0.401 1.248 13 HA LEU 2 HA LEU 2 59.437 2.415 2.090 14 HB2 LEU 2 HB2 LEU 2 58.376 3.251 -0.017 15 HB3 LEU 2 HB1 LEU 2 60.068 2.753 -0.220 16 HG LEU 2 HG LEU 2 57.909 0.680 -0.744 17 HD11 LEU 2 HD11 LEU 2 57.684 1.461 -3.086 18 HD12 LEU 2 HD12 LEU 2 58.666 2.895 -2.701 19 HD13 LEU 2 HD13 LEU 2 57.075 2.674 -1.934 20 HD21 LEU 2 HD21 LEU 2 60.614 1.349 -2.006 21 HD22 LEU 2 HD22 LEU 2 59.536 0.053 -2.570 22 HD23 LEU 2 HD23 LEU 2 60.243 -0.029 -0.943 23 H GLY 3 HN GLY 3 57.048 3.346 1.271 24 HA2 GLY 3 HA1 GLY 3 54.882 1.501 1.332 25 HA3 GLY 3 HA2 GLY 3 55.226 2.005 2.997 26 H ALA 4 HN ALA 4 55.411 3.802 -0.094 27 HA ALA 4 HA ALA 4 52.984 5.300 0.419 28 HB1 ALA 4 HB1 ALA 4 54.322 6.340 2.169 29 HB2 ALA 4 HB2 ALA 4 54.074 7.497 0.839 30 HB3 ALA 4 HB3 ALA 4 55.636 6.659 1.014 31 H LEU 5 HN LEU 5 55.944 4.644 -1.267 32 HA LEU 5 HA LEU 5 56.555 4.983 -3.469 33 HB2 LEU 5 HB2 LEU 5 54.092 4.095 -3.685 34 HB3 LEU 5 HB1 LEU 5 53.696 5.772 -4.112 35 HG LEU 5 HG LEU 5 55.750 5.504 -5.812 36 HD11 LEU 5 HD11 LEU 5 54.837 2.622 -5.375 37 HD12 LEU 5 HD12 LEU 5 56.462 3.272 -5.054 38 HD13 LEU 5 HD13 LEU 5 55.855 3.178 -6.722 39 HD21 LEU 5 HD21 LEU 5 53.040 4.176 -6.275 40 HD22 LEU 5 HD22 LEU 5 54.164 4.710 -7.548 41 HD23 LEU 5 HD23 LEU 5 53.399 5.907 -6.475 42 H ILE 6 HN ILE 6 56.279 7.253 -1.448 43 HA ILE 6 HA ILE 6 56.450 9.596 -1.401 44 HB ILE 6 HB ILE 6 57.658 9.503 -4.210 45 HG12 ILE 6 HG12 ILE 6 58.895 8.289 -1.695 46 HG13 ILE 6 HG11 ILE 6 58.471 7.425 -3.191 47 HG21 ILE 6 HG21 ILE 6 57.521 11.561 -2.604 48 HG22 ILE 6 HG22 ILE 6 59.090 11.197 -3.358 49 HG23 ILE 6 HG23 ILE 6 58.787 10.737 -1.665 50 HD11 ILE 6 HD1 ILE 6 60.647 9.507 -2.778 51 HD12 ILE 6 HD2 ILE 6 60.065 9.056 -4.399 52 HD13 ILE 6 HD3 ILE 6 60.818 7.831 -3.349 53 H LYS 7 HN LYS 7 56.610 11.131 -4.102 54 HA LYS 7 HA LYS 7 55.004 12.566 -5.008 55 HB2 LYS 7 HB2 LYS 7 53.124 10.149 -4.915 56 HB3 LYS 7 HB1 LYS 7 52.930 11.603 -5.924 57 HG2 LYS 7 HG2 LYS 7 54.875 11.046 -7.243 58 HG3 LYS 7 HG1 LYS 7 55.330 9.737 -6.124 59 HD2 LYS 7 HD2 LYS 7 53.365 8.445 -6.731 60 HD3 LYS 7 HD1 LYS 7 52.722 9.793 -7.700 61 HE2 LYS 7 HE2 LYS 7 53.789 8.100 -9.155 62 HE3 LYS 7 HE1 LYS 7 54.683 9.637 -9.213 63 HZ1 LYS 7 HZ1 LYS 7 56.296 7.981 -8.931 64 HZ2 LYS 7 HZ2 LYS 7 55.392 7.152 -7.757 65 HZ3 LYS 7 HZ3 LYS 7 56.105 8.647 -7.383 66 H GLY 8 HN GLY 8 55.624 11.835 -2.477 67 HA2 GLY 8 HA1 GLY 8 55.106 11.726 -0.316 68 HA3 GLY 8 HA2 GLY 8 54.485 13.393 -0.631 69 H ALA 9 HN ALA 9 53.684 9.964 -0.438 70 HA ALA 9 HA ALA 9 51.752 8.871 0.152 71 HB1 ALA 9 HB1 ALA 9 51.897 10.589 2.047 72 HB2 ALA 9 HB2 ALA 9 50.299 9.867 1.739 73 HB3 ALA 9 HB3 ALA 9 50.661 11.511 1.161 74 H ILE 10 HN ILE 10 51.914 9.479 -2.449 75 HA ILE 10 HA ILE 10 50.589 9.465 -4.317 76 HB ILE 10 HB ILE 10 48.736 8.719 -2.314 77 HG12 ILE 10 HG12 ILE 10 48.286 8.888 -5.329 78 HG13 ILE 10 HG11 ILE 10 49.158 7.587 -4.488 79 HG21 ILE 10 HG21 ILE 10 47.349 10.764 -4.097 80 HG22 ILE 10 HG22 ILE 10 47.811 11.100 -2.415 81 HG23 ILE 10 HG23 ILE 10 46.639 9.820 -2.769 82 HD11 ILE 10 HD1 ILE 10 46.197 8.235 -4.444 83 HD12 ILE 10 HD2 ILE 10 46.935 7.369 -3.073 84 HD13 ILE 10 HD3 ILE 10 47.000 6.671 -4.708 85 H HIS 11 HN HIS 11 49.863 12.002 -1.925 86 HA HIS 11 HA HIS 11 50.478 14.068 -3.850 87 HB2 HIS 11 HB2 HIS 11 48.241 13.421 -4.723 88 HB3 HIS 11 HB1 HIS 11 47.537 13.761 -3.124 89 HD1 HIS 11 HD1 HIS 11 46.425 15.984 -3.113 90 HD2 HIS 11 HD2 HIS 11 49.863 15.965 -5.535 91 HE1 HIS 11 HE1 HIS 11 46.732 18.353 -4.019 92 H GLY 12 HN GLY 12 49.979 12.859 -0.790 93 HA2 GLY 12 HA1 GLY 12 50.527 13.867 1.247 94 HA3 GLY 12 HA2 GLY 12 50.690 15.431 0.426 95 H GLY 13 HN GLY 13 47.818 13.411 0.113 96 HA2 GLY 13 HA1 GLY 13 46.328 14.578 2.265 97 HA3 GLY 13 HA2 GLY 13 46.033 15.501 0.781 98 H ARG 14 HN ARG 14 46.778 12.274 0.016 99 HA ARG 14 HA ARG 14 45.356 10.617 -0.854 100 HB2 ARG 14 HB2 ARG 14 43.494 11.450 1.356 101 HB3 ARG 14 HB1 ARG 14 43.613 9.863 0.582 102 HG2 ARG 14 HG2 ARG 14 45.845 9.529 1.517 103 HG3 ARG 14 HG1 ARG 14 45.828 11.168 2.216 104 HD2 ARG 14 HD2 ARG 14 43.785 10.533 3.531 105 HD3 ARG 14 HD1 ARG 14 43.960 8.868 2.924 106 HE ARG 14 HE ARG 14 46.430 9.750 4.125 107 HH11 ARG 14 HH11 ARG 14 45.758 7.101 4.791 108 HH12 ARG 14 HH12 ARG 14 45.023 7.182 6.356 109 HH21 ARG 14 HH21 ARG 14 44.377 10.583 6.170 110 HH22 ARG 14 HH22 ARG 14 44.241 9.153 7.138 111 H PHE 15 HN PHE 15 45.152 13.512 -1.621 112 HA PHE 15 HA PHE 15 43.833 14.825 -2.988 113 HB2 PHE 15 HB2 PHE 15 42.856 12.032 -3.682 114 HB3 PHE 15 HB1 PHE 15 42.111 13.463 -4.430 115 HD1 PHE 15 HD1 PHE 15 44.785 11.101 -4.698 116 HD2 PHE 15 HD2 PHE 15 43.810 15.248 -5.408 117 HE1 PHE 15 HE1 PHE 15 46.671 11.270 -6.316 118 HE2 PHE 15 HE2 PHE 15 45.698 15.413 -7.024 119 HZ PHE 15 HZ PHE 15 47.166 13.442 -7.429 120 H ILE 16 HN ILE 16 43.059 15.795 -1.071 121 HA ILE 16 HA ILE 16 41.319 16.773 0.075 122 HB ILE 16 HB ILE 16 39.338 14.912 -1.289 123 HG12 ILE 16 HG12 ILE 16 40.438 15.918 -3.152 124 HG13 ILE 16 HG11 ILE 16 39.023 16.946 -2.877 125 HG21 ILE 16 HG21 ILE 16 39.128 17.603 0.112 126 HG22 ILE 16 HG22 ILE 16 38.379 16.061 0.571 127 HG23 ILE 16 HG23 ILE 16 37.825 16.916 -0.883 128 HD11 ILE 16 HD1 ILE 16 40.884 18.425 -3.226 129 HD12 ILE 16 HD2 ILE 16 41.915 17.512 -2.103 130 HD13 ILE 16 HD3 ILE 16 40.552 18.467 -1.483 131 H HIS 17 HN HIS 17 41.213 13.235 -0.268 132 HA HIS 17 HA HIS 17 41.706 12.414 2.276 133 HB2 HIS 17 HB2 HIS 17 38.947 13.621 2.246 134 HB3 HIS 17 HB1 HIS 17 39.121 12.087 3.116 135 HD1 HIS 17 HD1 HIS 17 38.874 15.326 4.098 136 HD2 HIS 17 HD2 HIS 17 41.962 12.524 4.638 137 HE1 HIS 17 HE1 HIS 17 40.283 16.116 6.078 138 H GLY 18 HN GLY 18 42.235 10.984 0.179 139 HA2 GLY 18 HA1 GLY 18 41.846 8.599 -0.208 140 HA3 GLY 18 HA2 GLY 18 40.128 8.825 0.157 141 H MET 19 HN MET 19 39.976 11.296 -1.271 142 HA MET 19 HA MET 19 40.516 11.882 -3.624 143 HB2 MET 19 HB2 MET 19 40.975 9.776 -4.624 144 HB3 MET 19 HB1 MET 19 39.373 9.159 -4.215 145 HG2 MET 19 HG2 MET 19 39.492 9.751 -6.593 146 HG3 MET 19 HG1 MET 19 38.360 10.840 -5.771 147 HE1 MET 19 HE1 MET 19 41.184 10.534 -8.147 148 HE2 MET 19 HE2 MET 19 42.133 10.325 -6.656 149 HE3 MET 19 HE3 MET 19 42.406 11.746 -7.692 150 H ILE 20 HN ILE 20 39.458 13.611 -3.040 151 HA ILE 20 HA ILE 20 37.622 15.031 -2.904 152 HB ILE 20 HB ILE 20 35.953 13.024 -4.489 153 HG12 ILE 20 HG12 ILE 20 38.055 14.960 -5.563 154 HG13 ILE 20 HG11 ILE 20 38.112 13.189 -5.652 155 HG21 ILE 20 HG21 ILE 20 36.058 16.060 -4.733 156 HG22 ILE 20 HG22 ILE 20 35.053 15.263 -3.502 157 HG23 ILE 20 HG23 ILE 20 34.757 14.950 -5.226 158 HD11 ILE 20 HD1 ILE 20 35.847 13.351 -6.901 159 HD12 ILE 20 HD2 ILE 20 37.305 13.861 -7.784 160 HD13 ILE 20 HD3 ILE 20 36.221 15.083 -7.080 161 H GLN 21 HN GLN 21 38.284 12.652 -1.309 162 HA GLN 21 HA GLN 21 37.448 11.976 0.812 163 HB2 GLN 21 HB2 GLN 21 35.568 13.841 0.509 164 HB3 GLN 21 HB1 GLN 21 34.559 12.469 -0.002 165 HG2 GLN 21 HG2 GLN 21 34.219 12.697 2.361 166 HG3 GLN 21 HG1 GLN 21 35.289 11.290 2.153 167 HE21 GLN 21 HE21 GLN 21 36.462 11.438 4.132 168 HE22 GLN 21 HE22 GLN 21 37.480 12.828 4.526 169 H ASN 22 HN ASN 22 38.029 10.778 -1.639 170 HA ASN 22 HA ASN 22 37.587 8.962 -2.987 171 HB2 ASN 22 HB2 ASN 22 37.241 6.835 -1.570 172 HB3 ASN 22 HB1 ASN 22 38.719 7.814 -1.331 173 HD21 ASN 22 HD21 ASN 22 35.774 6.631 0.193 174 HD22 ASN 22 HD22 ASN 22 36.033 7.423 1.750 175 H HIS 23 HN HIS 23 35.724 10.440 -3.482 176 HA HIS 23 HA HIS 23 33.071 9.349 -2.797 177 HB2 HIS 23 HB2 HIS 23 33.489 11.767 -3.284 178 HB3 HIS 23 HB1 HIS 23 33.857 11.330 -4.970 179 HD1 HIS 23 HD1 HIS 23 31.168 9.428 -3.158 180 HD2 HIS 23 HD2 HIS 23 31.434 12.706 -5.778 181 HE1 HIS 23 HE1 HIS 23 28.819 9.880 -4.054 182 H HIS 24 HN HIS 24 35.523 8.305 -4.809 183 HA HIS 24 HA HIS 24 33.995 7.552 -7.149 184 HB2 HIS 24 HB2 HIS 24 36.593 6.471 -5.990 185 HB3 HIS 24 HB1 HIS 24 35.936 6.027 -7.584 186 HD1 HIS 24 HD1 HIS 24 35.052 9.478 -6.926 187 HD2 HIS 24 HD2 HIS 24 38.455 7.492 -8.395 188 HE1 HIS 24 HE1 HIS 24 36.512 11.224 -8.087 Start of MODEL 59 1 H1 PHE 1 HT1 PHE 1 51.500 3.340 -8.793 2 H2 PHE 1 HT2 PHE 1 50.053 3.295 -7.905 3 H3 PHE 1 HT3 PHE 1 50.203 2.396 -9.339 4 HA PHE 1 HA PHE 1 50.608 1.494 -6.828 5 HB2 PHE 1 HB2 PHE 1 51.649 0.446 -9.491 6 HB3 PHE 1 HB1 PHE 1 51.511 -0.511 -7.995 7 HD1 PHE 1 HD1 PHE 1 49.306 -1.101 -7.067 8 HD2 PHE 1 HD2 PHE 1 49.661 1.148 -10.734 9 HE1 PHE 1 HE1 PHE 1 46.907 -1.547 -7.572 10 HE2 PHE 1 HE2 PHE 1 47.262 0.701 -11.239 11 HZ PHE 1 HZ PHE 1 45.863 -0.564 -9.611 12 H LEU 2 HN LEU 2 53.194 1.960 -9.291 13 HA LEU 2 HA LEU 2 55.487 2.192 -9.014 14 HB2 LEU 2 HB2 LEU 2 54.884 3.561 -6.372 15 HB3 LEU 2 HB1 LEU 2 56.185 3.908 -7.536 16 HG LEU 2 HG LEU 2 53.199 4.380 -7.952 17 HD11 LEU 2 HD11 LEU 2 55.575 6.282 -7.723 18 HD12 LEU 2 HD12 LEU 2 54.323 6.026 -6.484 19 HD13 LEU 2 HD13 LEU 2 53.892 6.760 -8.047 20 HD21 LEU 2 HD21 LEU 2 55.601 4.634 -9.811 21 HD22 LEU 2 HD22 LEU 2 54.085 5.527 -10.091 22 HD23 LEU 2 HD23 LEU 2 54.082 3.749 -10.090 23 H GLY 3 HN GLY 3 56.811 2.482 -6.349 24 HA2 GLY 3 HA1 GLY 3 56.328 -0.058 -4.968 25 HA3 GLY 3 HA2 GLY 3 57.805 -0.049 -5.952 26 H ALA 4 HN ALA 4 56.410 2.731 -4.255 27 HA ALA 4 HA ALA 4 58.182 2.504 -1.961 28 HB1 ALA 4 HB1 ALA 4 59.737 4.236 -2.441 29 HB2 ALA 4 HB2 ALA 4 58.854 4.731 -3.906 30 HB3 ALA 4 HB3 ALA 4 59.734 3.184 -3.875 31 H LEU 5 HN LEU 5 55.762 3.969 -3.888 32 HA LEU 5 HA LEU 5 54.127 5.528 -3.429 33 HB2 LEU 5 HB2 LEU 5 53.488 3.955 -1.705 34 HB3 LEU 5 HB1 LEU 5 54.748 4.562 -0.611 35 HG LEU 5 HG LEU 5 53.604 6.685 -0.344 36 HD11 LEU 5 HD11 LEU 5 51.874 5.671 -2.630 37 HD12 LEU 5 HD12 LEU 5 52.765 7.207 -2.509 38 HD13 LEU 5 HD13 LEU 5 51.304 6.950 -1.530 39 HD21 LEU 5 HD21 LEU 5 51.536 5.946 0.705 40 HD22 LEU 5 HD22 LEU 5 52.766 4.681 0.941 41 HD23 LEU 5 HD23 LEU 5 51.504 4.475 -0.297 42 H ILE 6 HN ILE 6 55.158 7.366 -4.172 43 HA ILE 6 HA ILE 6 56.164 9.213 -1.975 44 HB ILE 6 HB ILE 6 57.248 9.476 -4.827 45 HG12 ILE 6 HG12 ILE 6 57.617 7.051 -4.145 46 HG13 ILE 6 HG11 ILE 6 59.095 7.980 -4.451 47 HG21 ILE 6 HG21 ILE 6 59.250 10.317 -3.532 48 HG22 ILE 6 HG22 ILE 6 58.324 10.092 -2.032 49 HG23 ILE 6 HG23 ILE 6 57.769 11.256 -3.251 50 HD11 ILE 6 HD1 ILE 6 57.979 7.773 -1.636 51 HD12 ILE 6 HD2 ILE 6 59.640 8.127 -2.157 52 HD13 ILE 6 HD3 ILE 6 58.992 6.478 -2.309 53 H LYS 7 HN LYS 7 56.510 11.162 -4.430 54 HA LYS 7 HA LYS 7 55.168 13.011 -4.920 55 HB2 LYS 7 HB2 LYS 7 52.920 10.940 -5.146 56 HB3 LYS 7 HB1 LYS 7 52.887 12.594 -5.804 57 HG2 LYS 7 HG2 LYS 7 54.643 12.095 -7.381 58 HG3 LYS 7 HG1 LYS 7 54.974 10.527 -6.605 59 HD2 LYS 7 HD2 LYS 7 52.839 9.639 -7.309 60 HD3 LYS 7 HD1 LYS 7 52.293 11.239 -7.865 61 HE2 LYS 7 HE2 LYS 7 53.011 9.877 -9.787 62 HE3 LYS 7 HE1 LYS 7 54.121 11.250 -9.562 63 HZ1 LYS 7 HZ1 LYS 7 55.566 9.496 -9.789 64 HZ2 LYS 7 HZ2 LYS 7 54.552 8.389 -8.994 65 HZ3 LYS 7 HZ3 LYS 7 55.408 9.554 -8.101 66 H GLY 8 HN GLY 8 55.732 11.738 -2.599 67 HA2 GLY 8 HA1 GLY 8 55.272 11.321 -0.462 68 HA3 GLY 8 HA2 GLY 8 54.961 13.100 -0.437 69 H ALA 9 HN ALA 9 53.546 9.886 -0.786 70 HA ALA 9 HA ALA 9 51.424 9.083 -0.388 71 HB1 ALA 9 HB1 ALA 9 51.926 9.908 1.881 72 HB2 ALA 9 HB2 ALA 9 50.196 10.075 1.495 73 HB3 ALA 9 HB3 ALA 9 51.260 11.501 1.448 74 H ILE 10 HN ILE 10 51.540 10.320 -2.742 75 HA ILE 10 HA ILE 10 50.442 11.718 -4.271 76 HB ILE 10 HB ILE 10 47.908 11.117 -4.333 77 HG12 ILE 10 HG12 ILE 10 48.833 9.166 -2.169 78 HG13 ILE 10 HG11 ILE 10 47.785 10.570 -1.871 79 HG21 ILE 10 HG21 ILE 10 49.769 9.953 -5.617 80 HG22 ILE 10 HG22 ILE 10 48.377 8.919 -5.239 81 HG23 ILE 10 HG23 ILE 10 49.870 8.783 -4.280 82 HD11 ILE 10 HD1 ILE 10 46.240 8.808 -2.129 83 HD12 ILE 10 HD2 ILE 10 47.179 8.041 -3.428 84 HD13 ILE 10 HD3 ILE 10 46.265 9.535 -3.752 85 H HIS 11 HN HIS 11 50.993 13.744 -3.306 86 HA HIS 11 HA HIS 11 50.492 15.820 -2.388 87 HB2 HIS 11 HB2 HIS 11 47.715 15.114 -3.417 88 HB3 HIS 11 HB1 HIS 11 48.316 16.748 -3.048 89 HD1 HIS 11 HD1 HIS 11 49.165 17.982 -5.032 90 HD2 HIS 11 HD2 HIS 11 49.672 13.827 -5.439 91 HE1 HIS 11 HE1 HIS 11 50.188 17.563 -7.335 92 H GLY 12 HN GLY 12 49.849 13.192 -0.841 93 HA2 GLY 12 HA1 GLY 12 49.286 12.825 1.387 94 HA3 GLY 12 HA2 GLY 12 48.912 14.553 1.554 95 H GLY 13 HN GLY 13 47.600 11.973 -0.561 96 HA2 GLY 13 HA1 GLY 13 45.432 11.201 -0.803 97 HA3 GLY 13 HA2 GLY 13 45.127 11.722 0.868 98 H ARG 14 HN ARG 14 46.340 14.318 -0.825 99 HA ARG 14 HA ARG 14 43.634 15.522 -1.016 100 HB2 ARG 14 HB2 ARG 14 46.059 16.491 -0.155 101 HB3 ARG 14 HB1 ARG 14 46.061 17.103 -1.819 102 HG2 ARG 14 HG2 ARG 14 43.843 17.532 0.242 103 HG3 ARG 14 HG1 ARG 14 45.058 18.739 -0.239 104 HD2 ARG 14 HD2 ARG 14 42.820 17.553 -1.922 105 HD3 ARG 14 HD1 ARG 14 43.104 19.257 -1.512 106 HE ARG 14 HE ARG 14 45.382 18.345 -2.939 107 HH11 ARG 14 HH11 ARG 14 42.091 19.271 -3.271 108 HH12 ARG 14 HH12 ARG 14 42.169 19.444 -4.992 109 HH21 ARG 14 HH21 ARG 14 45.463 18.382 -5.215 110 HH22 ARG 14 HH22 ARG 14 44.078 18.940 -6.093 111 H PHE 15 HN PHE 15 46.007 14.018 -3.042 112 HA PHE 15 HA PHE 15 45.838 15.274 -5.497 113 HB2 PHE 15 HB2 PHE 15 47.094 13.199 -5.115 114 HB3 PHE 15 HB1 PHE 15 45.574 12.284 -4.990 115 HD1 PHE 15 HD1 PHE 15 44.793 11.218 -6.951 116 HD2 PHE 15 HD2 PHE 15 47.268 14.739 -7.312 117 HE1 PHE 15 HE1 PHE 15 44.760 10.988 -9.430 118 HE2 PHE 15 HE2 PHE 15 47.232 14.507 -9.792 119 HZ PHE 15 HZ PHE 15 46.039 12.591 -10.846 120 H ILE 16 HN ILE 16 43.288 13.498 -3.838 121 HA ILE 16 HA ILE 16 41.404 14.160 -6.107 122 HB ILE 16 HB ILE 16 41.014 11.939 -4.050 123 HG12 ILE 16 HG12 ILE 16 42.206 11.822 -6.857 124 HG13 ILE 16 HG11 ILE 16 43.042 11.436 -5.334 125 HG21 ILE 16 HG21 ILE 16 39.047 12.967 -5.337 126 HG22 ILE 16 HG22 ILE 16 39.264 11.213 -5.530 127 HG23 ILE 16 HG23 ILE 16 39.798 12.323 -6.815 128 HD11 ILE 16 HD1 ILE 16 41.138 9.677 -4.983 129 HD12 ILE 16 HD2 ILE 16 42.408 9.312 -6.174 130 HD13 ILE 16 HD3 ILE 16 40.821 9.899 -6.721 131 H HIS 17 HN HIS 17 40.797 13.083 -2.727 132 HA HIS 17 HA HIS 17 40.192 15.709 -1.732 133 HB2 HIS 17 HB2 HIS 17 38.273 15.525 -3.314 134 HB3 HIS 17 HB1 HIS 17 37.773 14.021 -2.505 135 HD1 HIS 17 HD1 HIS 17 39.066 15.870 0.192 136 HD2 HIS 17 HD2 HIS 17 35.594 16.329 -2.135 137 HE1 HIS 17 HE1 HIS 17 37.400 17.226 1.572 138 H GLY 18 HN GLY 18 41.739 14.232 -0.459 139 HA2 GLY 18 HA1 GLY 18 42.087 13.052 1.508 140 HA3 GLY 18 HA2 GLY 18 40.411 13.403 1.930 141 H MET 19 HN MET 19 42.061 11.554 -0.589 142 HA MET 19 HA MET 19 41.440 9.503 -1.367 143 HB2 MET 19 HB2 MET 19 41.610 8.962 1.543 144 HB3 MET 19 HB1 MET 19 41.542 7.667 0.324 145 HG2 MET 19 HG2 MET 19 43.638 9.872 0.220 146 HG3 MET 19 HG1 MET 19 43.888 8.366 1.135 147 HE1 MET 19 HE1 MET 19 45.098 6.286 -0.090 148 HE2 MET 19 HE2 MET 19 44.005 5.568 -1.297 149 HE3 MET 19 HE3 MET 19 43.359 6.138 0.261 150 H ILE 20 HN ILE 20 39.147 11.269 -0.513 151 HA ILE 20 HA ILE 20 36.837 10.981 -0.417 152 HB ILE 20 HB ILE 20 37.234 8.138 -1.469 153 HG12 ILE 20 HG12 ILE 20 38.456 9.423 -3.055 154 HG13 ILE 20 HG11 ILE 20 36.845 9.264 -3.776 155 HG21 ILE 20 HG21 ILE 20 34.989 8.509 -0.775 156 HG22 ILE 20 HG22 ILE 20 34.970 8.699 -2.541 157 HG23 ILE 20 HG23 ILE 20 34.936 10.133 -1.491 158 HD11 ILE 20 HD1 ILE 20 36.307 11.548 -2.695 159 HD12 ILE 20 HD2 ILE 20 37.453 11.561 -4.049 160 HD13 ILE 20 HD3 ILE 20 38.051 11.681 -2.379 161 H GLN 21 HN GLN 21 39.222 9.177 1.079 162 HA GLN 21 HA GLN 21 37.296 7.878 3.042 163 HB2 GLN 21 HB2 GLN 21 39.031 6.463 1.804 164 HB3 GLN 21 HB1 GLN 21 40.275 7.359 2.706 165 HG2 GLN 21 HG2 GLN 21 39.833 5.371 3.979 166 HG3 GLN 21 HG1 GLN 21 39.020 6.698 4.843 167 HE21 GLN 21 HE21 GLN 21 38.406 4.054 2.445 168 HE22 GLN 21 HE22 GLN 21 36.705 3.864 2.881 169 H ASN 22 HN ASN 22 40.286 9.884 2.729 170 HA ASN 22 HA ASN 22 40.272 10.449 5.621 171 HB2 ASN 22 HB2 ASN 22 41.889 11.424 3.228 172 HB3 ASN 22 HB1 ASN 22 42.059 12.153 4.844 173 HD21 ASN 22 HD21 ASN 22 41.772 9.825 6.481 174 HD22 ASN 22 HD22 ASN 22 43.141 8.756 6.157 175 H HIS 23 HN HIS 23 39.179 11.723 2.520 176 HA HIS 23 HA HIS 23 38.030 13.716 2.030 177 HB2 HIS 23 HB2 HIS 23 35.973 14.007 3.320 178 HB3 HIS 23 HB1 HIS 23 36.283 12.277 3.046 179 HD1 HIS 23 HD1 HIS 23 36.720 10.786 5.068 180 HD2 HIS 23 HD2 HIS 23 36.452 14.869 6.036 181 HE1 HIS 23 HE1 HIS 23 36.681 10.964 7.616 182 H HIS 24 HN HIS 24 40.431 13.943 3.923 183 HA HIS 24 HA HIS 24 39.783 16.177 5.684 184 HB2 HIS 24 HB2 HIS 24 42.414 15.024 4.682 185 HB3 HIS 24 HB1 HIS 24 42.299 16.352 5.861 186 HD1 HIS 24 HD1 HIS 24 39.478 14.729 6.897 187 HD2 HIS 24 HD2 HIS 24 43.525 13.605 7.074 188 HE1 HIS 24 HE1 HIS 24 39.694 12.941 8.709 Start of MODEL 60 1 H1 PHE 1 HT1 PHE 1 57.933 4.310 5.297 2 H2 PHE 1 HT2 PHE 1 58.989 3.684 6.471 3 H3 PHE 1 HT3 PHE 1 59.487 4.964 5.471 4 HA PHE 1 HA PHE 1 57.154 5.222 7.226 5 HB2 PHE 1 HB2 PHE 1 59.169 4.461 8.548 6 HB3 PHE 1 HB1 PHE 1 60.021 5.916 7.976 7 HD1 PHE 1 HD1 PHE 1 56.944 4.761 9.794 8 HD2 PHE 1 HD2 PHE 1 59.672 8.023 9.047 9 HE1 PHE 1 HE1 PHE 1 55.848 6.091 11.594 10 HE2 PHE 1 HE2 PHE 1 58.575 9.353 10.845 11 HZ PHE 1 HZ PHE 1 56.716 8.355 12.171 12 H LEU 2 HN LEU 2 56.721 6.343 5.025 13 HA LEU 2 HA LEU 2 57.116 9.181 5.481 14 HB2 LEU 2 HB2 LEU 2 59.328 8.238 4.381 15 HB3 LEU 2 HB1 LEU 2 58.369 8.229 2.886 16 HG LEU 2 HG LEU 2 58.836 10.643 4.701 17 HD11 LEU 2 HD11 LEU 2 60.183 11.482 2.805 18 HD12 LEU 2 HD12 LEU 2 59.869 9.977 1.907 19 HD13 LEU 2 HD13 LEU 2 60.833 9.937 3.404 20 HD21 LEU 2 HD21 LEU 2 57.818 11.821 2.603 21 HD22 LEU 2 HD22 LEU 2 56.704 10.983 3.705 22 HD23 LEU 2 HD23 LEU 2 57.189 10.210 2.176 23 H GLY 3 HN GLY 3 56.813 7.165 2.519 24 HA2 GLY 3 HA1 GLY 3 53.944 7.559 2.367 25 HA3 GLY 3 HA2 GLY 3 54.815 8.653 1.273 26 H ALA 4 HN ALA 4 56.533 5.788 1.854 27 HA ALA 4 HA ALA 4 57.066 4.028 0.445 28 HB1 ALA 4 HB1 ALA 4 54.073 4.154 -0.057 29 HB2 ALA 4 HB2 ALA 4 54.913 3.179 1.173 30 HB3 ALA 4 HB3 ALA 4 55.131 2.813 -0.555 31 H LEU 5 HN LEU 5 54.377 5.034 -1.631 32 HA LEU 5 HA LEU 5 56.167 5.152 -3.934 33 HB2 LEU 5 HB2 LEU 5 53.294 6.131 -3.809 34 HB3 LEU 5 HB1 LEU 5 54.192 5.529 -5.222 35 HG LEU 5 HG LEU 5 53.392 3.890 -2.773 36 HD11 LEU 5 HD11 LEU 5 51.514 4.466 -4.294 37 HD12 LEU 5 HD12 LEU 5 51.899 2.729 -4.367 38 HD13 LEU 5 HD13 LEU 5 52.436 3.816 -5.671 39 HD21 LEU 5 HD21 LEU 5 55.028 3.259 -5.264 40 HD22 LEU 5 HD22 LEU 5 54.183 1.981 -4.356 41 HD23 LEU 5 HD23 LEU 5 55.441 2.952 -3.560 42 H ILE 6 HN ILE 6 55.948 7.218 -1.459 43 HA ILE 6 HA ILE 6 56.223 9.539 -1.179 44 HB ILE 6 HB ILE 6 57.625 9.630 -3.896 45 HG12 ILE 6 HG12 ILE 6 58.619 8.142 -1.421 46 HG13 ILE 6 HG11 ILE 6 58.270 7.434 -3.015 47 HG21 ILE 6 HG21 ILE 6 59.068 11.167 -2.795 48 HG22 ILE 6 HG22 ILE 6 58.612 10.582 -1.177 49 HG23 ILE 6 HG23 ILE 6 57.463 11.547 -2.130 50 HD11 ILE 6 HD1 ILE 6 60.021 9.088 -3.952 51 HD12 ILE 6 HD2 ILE 6 60.637 7.732 -2.977 52 HD13 ILE 6 HD3 ILE 6 60.501 9.355 -2.259 53 H LYS 7 HN LYS 7 56.648 11.289 -3.725 54 HA LYS 7 HA LYS 7 55.178 12.883 -4.594 55 HB2 LYS 7 HB2 LYS 7 53.297 10.480 -4.900 56 HB3 LYS 7 HB1 LYS 7 53.043 12.079 -5.640 57 HG2 LYS 7 HG2 LYS 7 54.969 11.846 -7.051 58 HG3 LYS 7 HG1 LYS 7 55.555 10.433 -6.140 59 HD2 LYS 7 HD2 LYS 7 54.502 9.747 -8.281 60 HD3 LYS 7 HD1 LYS 7 53.594 9.122 -6.884 61 HE2 LYS 7 HE2 LYS 7 51.851 10.713 -7.156 62 HE3 LYS 7 HE1 LYS 7 52.845 11.762 -8.196 63 HZ1 LYS 7 HZ1 LYS 7 51.062 9.965 -9.097 64 HZ2 LYS 7 HZ2 LYS 7 52.497 9.057 -9.170 65 HZ3 LYS 7 HZ3 LYS 7 52.382 10.538 -9.995 66 H GLY 8 HN GLY 8 55.570 11.903 -2.103 67 HA2 GLY 8 HA1 GLY 8 54.883 11.625 -0.005 68 HA3 GLY 8 HA2 GLY 8 54.364 13.344 -0.207 69 H ALA 9 HN ALA 9 53.397 9.962 -0.408 70 HA ALA 9 HA ALA 9 51.385 8.907 -0.079 71 HB1 ALA 9 HB1 ALA 9 49.838 9.828 1.473 72 HB2 ALA 9 HB2 ALA 9 50.331 11.497 1.099 73 HB3 ALA 9 HB3 ALA 9 51.434 10.420 1.989 74 H ILE 10 HN ILE 10 51.451 9.143 -2.498 75 HA ILE 10 HA ILE 10 50.292 9.432 -4.461 76 HB ILE 10 HB ILE 10 48.111 9.798 -2.411 77 HG12 ILE 10 HG12 ILE 10 48.122 8.230 -5.022 78 HG13 ILE 10 HG11 ILE 10 48.898 7.622 -3.546 79 HG21 ILE 10 HG21 ILE 10 46.448 10.266 -4.326 80 HG22 ILE 10 HG22 ILE 10 47.854 10.821 -5.259 81 HG23 ILE 10 HG23 ILE 10 47.408 11.639 -3.741 82 HD11 ILE 10 HD1 ILE 10 46.778 6.652 -3.343 83 HD12 ILE 10 HD2 ILE 10 45.955 8.005 -4.142 84 HD13 ILE 10 HD3 ILE 10 46.500 8.166 -2.457 85 H HIS 11 HN HIS 11 49.072 12.179 -2.468 86 HA HIS 11 HA HIS 11 50.681 14.064 -4.081 87 HB2 HIS 11 HB2 HIS 11 48.637 13.733 -5.464 88 HB3 HIS 11 HB1 HIS 11 47.633 14.184 -4.065 89 HD1 HIS 11 HD1 HIS 11 50.902 15.812 -5.247 90 HD2 HIS 11 HD2 HIS 11 46.819 16.736 -4.836 91 HE1 HIS 11 HE1 HIS 11 50.633 18.305 -5.734 92 H GLY 12 HN GLY 12 49.471 12.936 -1.283 93 HA2 GLY 12 HA1 GLY 12 50.335 14.339 0.676 94 HA3 GLY 12 HA2 GLY 12 49.339 15.656 0.024 95 H GLY 13 HN GLY 13 47.939 12.599 -0.486 96 HA2 GLY 13 HA1 GLY 13 46.200 11.481 0.561 97 HA3 GLY 13 HA2 GLY 13 46.695 12.232 2.091 98 H ARG 14 HN ARG 14 45.106 13.051 -1.022 99 HA ARG 14 HA ARG 14 42.799 14.136 0.366 100 HB2 ARG 14 HB2 ARG 14 44.485 15.978 0.703 101 HB3 ARG 14 HB1 ARG 14 44.597 16.133 -1.064 102 HG2 ARG 14 HG2 ARG 14 43.027 17.805 -0.242 103 HG3 ARG 14 HG1 ARG 14 42.115 16.575 -1.139 104 HD2 ARG 14 HD2 ARG 14 41.128 15.701 0.805 105 HD3 ARG 14 HD1 ARG 14 42.455 16.253 1.858 106 HE ARG 14 HE ARG 14 40.101 17.798 1.113 107 HH11 ARG 14 HH11 ARG 14 40.012 19.915 1.895 108 HH12 ARG 14 HH12 ARG 14 41.443 20.648 2.541 109 HH21 ARG 14 HH21 ARG 14 43.440 17.871 1.969 110 HH22 ARG 14 HH22 ARG 14 43.384 19.489 2.583 111 H PHE 15 HN PHE 15 44.730 13.572 -2.501 112 HA PHE 15 HA PHE 15 42.832 14.402 -4.471 113 HB2 PHE 15 HB2 PHE 15 45.288 13.731 -4.800 114 HB3 PHE 15 HB1 PHE 15 44.732 12.042 -4.749 115 HD1 PHE 15 HD1 PHE 15 44.108 11.029 -6.798 116 HD2 PHE 15 HD2 PHE 15 43.863 15.323 -6.405 117 HE1 PHE 15 HE1 PHE 15 43.433 11.211 -9.188 118 HE2 PHE 15 HE2 PHE 15 43.187 15.501 -8.796 119 HZ PHE 15 HZ PHE 15 43.025 13.450 -10.201 120 H ILE 16 HN ILE 16 43.354 11.272 -2.821 121 HA ILE 16 HA ILE 16 40.518 10.590 -3.233 122 HB ILE 16 HB ILE 16 41.142 8.308 -4.224 123 HG12 ILE 16 HG12 ILE 16 43.737 9.825 -4.790 124 HG13 ILE 16 HG11 ILE 16 43.568 8.396 -3.748 125 HG21 ILE 16 HG21 ILE 16 41.042 9.111 -6.485 126 HG22 ILE 16 HG22 ILE 16 41.814 10.653 -6.049 127 HG23 ILE 16 HG23 ILE 16 40.155 10.301 -5.510 128 HD11 ILE 16 HD1 ILE 16 44.330 7.489 -5.796 129 HD12 ILE 16 HD2 ILE 16 43.319 8.583 -6.767 130 HD13 ILE 16 HD3 ILE 16 42.572 7.235 -5.875 131 H HIS 17 HN HIS 17 41.338 11.107 -0.870 132 HA HIS 17 HA HIS 17 41.446 8.472 0.470 133 HB2 HIS 17 HB2 HIS 17 43.862 9.120 0.083 134 HB3 HIS 17 HB1 HIS 17 43.572 10.567 1.077 135 HD1 HIS 17 HD1 HIS 17 44.720 10.075 3.256 136 HD2 HIS 17 HD2 HIS 17 42.479 6.800 1.867 137 HE1 HIS 17 HE1 HIS 17 44.741 8.303 5.096 138 H GLY 18 HN GLY 18 40.964 11.894 0.329 139 HA2 GLY 18 HA1 GLY 18 39.279 11.748 2.796 140 HA3 GLY 18 HA2 GLY 18 40.519 13.020 2.672 141 H MET 19 HN MET 19 38.294 11.495 0.401 142 HA MET 19 HA MET 19 36.474 13.693 0.245 143 HB2 MET 19 HB2 MET 19 36.956 14.507 -1.886 144 HB3 MET 19 HB1 MET 19 38.294 14.761 -0.774 145 HG2 MET 19 HG2 MET 19 39.412 14.017 -2.733 146 HG3 MET 19 HG1 MET 19 39.251 12.525 -1.777 147 HE1 MET 19 HE1 MET 19 36.808 13.947 -5.376 148 HE2 MET 19 HE2 MET 19 38.585 14.031 -5.350 149 HE3 MET 19 HE3 MET 19 37.635 14.909 -4.128 150 H ILE 20 HN ILE 20 38.068 10.922 -1.272 151 HA ILE 20 HA ILE 20 35.625 10.107 -2.685 152 HB ILE 20 HB ILE 20 36.745 7.714 -2.365 153 HG12 ILE 20 HG12 ILE 20 39.237 7.864 -2.116 154 HG13 ILE 20 HG11 ILE 20 39.076 9.572 -1.676 155 HG21 ILE 20 HG21 ILE 20 36.679 8.971 -4.496 156 HG22 ILE 20 HG22 ILE 20 38.233 8.128 -4.292 157 HG23 ILE 20 HG23 ILE 20 38.127 9.881 -4.006 158 HD11 ILE 20 HD1 ILE 20 37.443 7.565 -0.110 159 HD12 ILE 20 HD2 ILE 20 38.191 9.088 0.429 160 HD13 ILE 20 HD3 ILE 20 39.193 7.641 0.199 161 H GLN 21 HN GLN 21 36.725 10.674 0.353 162 HA GLN 21 HA GLN 21 34.583 9.111 1.705 163 HB2 GLN 21 HB2 GLN 21 36.894 8.302 2.259 164 HB3 GLN 21 HB1 GLN 21 37.284 9.937 2.844 165 HG2 GLN 21 HG2 GLN 21 35.513 9.808 4.526 166 HG3 GLN 21 HG1 GLN 21 34.984 8.231 3.891 167 HE21 GLN 21 HE21 GLN 21 38.388 9.351 4.328 168 HE22 GLN 21 HE22 GLN 21 38.794 8.114 5.522 169 H ASN 22 HN ASN 22 36.335 12.366 1.205 170 HA ASN 22 HA ASN 22 34.349 13.427 3.291 171 HB2 ASN 22 HB2 ASN 22 36.643 15.032 2.139 172 HB3 ASN 22 HB1 ASN 22 35.800 15.217 3.690 173 HD21 ASN 22 HD21 ASN 22 35.922 12.092 3.934 174 HD22 ASN 22 HD22 ASN 22 37.566 11.820 4.522 175 H HIS 23 HN HIS 23 34.070 12.666 0.297 176 HA HIS 23 HA HIS 23 33.019 13.551 -1.575 177 HB2 HIS 23 HB2 HIS 23 31.153 13.653 0.006 178 HB3 HIS 23 HB1 HIS 23 31.692 15.247 0.580 179 HD1 HIS 23 HD1 HIS 23 30.994 17.288 -0.752 180 HD2 HIS 23 HD2 HIS 23 30.266 13.684 -2.797 181 HE1 HIS 23 HE1 HIS 23 29.641 17.859 -2.844 182 H HIS 24 HN HIS 24 32.706 16.651 0.088 183 HA HIS 24 HA HIS 24 33.975 18.020 -2.136 184 HB2 HIS 24 HB2 HIS 24 33.648 20.047 -0.737 185 HB3 HIS 24 HB1 HIS 24 32.166 19.066 -0.850 186 HD1 HIS 24 HD1 HIS 24 31.122 18.302 1.302 187 HD2 HIS 24 HD2 HIS 24 35.084 19.618 1.814 188 HE1 HIS 24 HE1 HIS 24 31.617 18.272 3.809 Start of MODEL 61 1 H1 PHE 1 HT1 PHE 1 61.143 5.905 -11.914 2 H2 PHE 1 HT2 PHE 1 62.200 7.227 -11.766 3 H3 PHE 1 HT3 PHE 1 60.716 7.223 -10.938 4 HA PHE 1 HA PHE 1 62.278 4.934 -10.339 5 HB2 PHE 1 HB2 PHE 1 63.409 7.695 -9.732 6 HB3 PHE 1 HB1 PHE 1 63.966 6.177 -8.986 7 HD1 PHE 1 HD1 PHE 1 64.904 4.339 -10.460 8 HD2 PHE 1 HD2 PHE 1 64.125 8.319 -11.939 9 HE1 PHE 1 HE1 PHE 1 66.379 3.900 -12.420 10 HE2 PHE 1 HE2 PHE 1 65.600 7.879 -13.898 11 HZ PHE 1 HZ PHE 1 66.746 5.679 -14.126 12 H LEU 2 HN LEU 2 59.892 4.896 -9.674 13 HA LEU 2 HA LEU 2 59.120 6.573 -7.419 14 HB2 LEU 2 HB2 LEU 2 57.987 4.070 -8.714 15 HB3 LEU 2 HB1 LEU 2 57.276 4.748 -7.230 16 HG LEU 2 HG LEU 2 56.843 6.875 -8.338 17 HD11 LEU 2 HD11 LEU 2 57.311 6.970 -10.892 18 HD12 LEU 2 HD12 LEU 2 58.429 5.615 -10.611 19 HD13 LEU 2 HD13 LEU 2 58.699 7.177 -9.802 20 HD21 LEU 2 HD21 LEU 2 55.187 5.047 -8.634 21 HD22 LEU 2 HD22 LEU 2 56.030 4.526 -10.112 22 HD23 LEU 2 HD23 LEU 2 55.229 6.114 -10.057 23 H GLY 3 HN GLY 3 59.814 3.049 -7.705 24 HA2 GLY 3 HA1 GLY 3 60.910 1.651 -6.207 25 HA3 GLY 3 HA2 GLY 3 61.395 3.075 -5.267 26 H ALA 4 HN ALA 4 58.718 4.100 -4.867 27 HA ALA 4 HA ALA 4 57.092 2.049 -3.624 28 HB1 ALA 4 HB1 ALA 4 57.431 2.789 -1.273 29 HB2 ALA 4 HB2 ALA 4 58.797 3.796 -1.813 30 HB3 ALA 4 HB3 ALA 4 58.879 2.024 -1.969 31 H LEU 5 HN LEU 5 55.564 3.282 -1.906 32 HA LEU 5 HA LEU 5 54.268 5.355 -3.518 33 HB2 LEU 5 HB2 LEU 5 53.683 4.006 -0.863 34 HB3 LEU 5 HB1 LEU 5 52.726 5.403 -1.408 35 HG LEU 5 HG LEU 5 52.075 4.230 -3.447 36 HD11 LEU 5 HD11 LEU 5 52.767 1.747 -3.638 37 HD12 LEU 5 HD12 LEU 5 54.032 2.124 -2.444 38 HD13 LEU 5 HD13 LEU 5 54.015 2.956 -4.019 39 HD21 LEU 5 HD21 LEU 5 50.847 3.797 -1.270 40 HD22 LEU 5 HD22 LEU 5 51.815 2.313 -1.088 41 HD23 LEU 5 HD23 LEU 5 50.700 2.486 -2.465 42 H ILE 6 HN ILE 6 55.121 7.334 -3.597 43 HA ILE 6 HA ILE 6 55.550 8.767 -0.983 44 HB ILE 6 HB ILE 6 57.634 9.182 -3.182 45 HG12 ILE 6 HG12 ILE 6 57.686 6.928 -1.121 46 HG13 ILE 6 HG11 ILE 6 57.645 6.744 -2.890 47 HG21 ILE 6 HG21 ILE 6 57.311 10.564 -0.985 48 HG22 ILE 6 HG22 ILE 6 58.954 10.020 -1.395 49 HG23 ILE 6 HG23 ILE 6 58.010 9.151 -0.161 50 HD11 ILE 6 HD1 ILE 6 59.824 8.124 -2.930 51 HD12 ILE 6 HD2 ILE 6 59.939 6.469 -2.286 52 HD13 ILE 6 HD3 ILE 6 59.892 7.856 -1.171 53 H LYS 7 HN LYS 7 56.906 10.940 -2.693 54 HA LYS 7 HA LYS 7 55.987 12.976 -3.383 55 HB2 LYS 7 HB2 LYS 7 54.263 11.013 -4.957 56 HB3 LYS 7 HB1 LYS 7 53.916 12.758 -4.999 57 HG2 LYS 7 HG2 LYS 7 56.277 13.171 -5.732 58 HG3 LYS 7 HG1 LYS 7 56.535 11.410 -5.791 59 HD2 LYS 7 HD2 LYS 7 54.706 11.195 -7.448 60 HD3 LYS 7 HD1 LYS 7 54.448 12.956 -7.393 61 HE2 LYS 7 HE2 LYS 7 56.979 11.514 -8.297 62 HE3 LYS 7 HE1 LYS 7 55.844 12.418 -9.327 63 HZ1 LYS 7 HZ1 LYS 7 56.352 14.387 -7.876 64 HZ2 LYS 7 HZ2 LYS 7 57.635 13.858 -8.855 65 HZ3 LYS 7 HZ3 LYS 7 57.619 13.486 -7.197 66 H GLY 8 HN GLY 8 55.486 11.338 -1.288 67 HA2 GLY 8 HA1 GLY 8 54.180 10.704 0.395 68 HA3 GLY 8 HA2 GLY 8 53.956 12.487 0.581 69 H ALA 9 HN ALA 9 52.631 9.468 -0.528 70 HA ALA 9 HA ALA 9 50.563 8.861 -1.364 71 HB1 ALA 9 HB1 ALA 9 48.759 9.371 0.179 72 HB2 ALA 9 HB2 ALA 9 49.680 10.737 0.854 73 HB3 ALA 9 HB3 ALA 9 50.253 9.071 1.098 74 H ILE 10 HN ILE 10 51.645 10.866 -2.936 75 HA ILE 10 HA ILE 10 51.135 12.739 -4.240 76 HB ILE 10 HB ILE 10 48.731 12.300 -5.400 77 HG12 ILE 10 HG12 ILE 10 49.411 9.618 -4.090 78 HG13 ILE 10 HG11 ILE 10 48.036 10.649 -3.649 79 HG21 ILE 10 HG21 ILE 10 51.023 11.976 -6.426 80 HG22 ILE 10 HG22 ILE 10 49.818 10.791 -6.970 81 HG23 ILE 10 HG23 ILE 10 51.034 10.327 -5.756 82 HD11 ILE 10 HD1 ILE 10 47.035 9.135 -5.141 83 HD12 ILE 10 HD2 ILE 10 48.476 9.045 -6.177 84 HD13 ILE 10 HD3 ILE 10 47.434 10.488 -6.225 85 H HIS 11 HN HIS 11 47.700 12.306 -3.620 86 HA HIS 11 HA HIS 11 47.168 14.992 -3.127 87 HB2 HIS 11 HB2 HIS 11 45.691 12.772 -1.684 88 HB3 HIS 11 HB1 HIS 11 45.055 14.318 -2.302 89 HD1 HIS 11 HD1 HIS 11 46.731 13.987 -5.098 90 HD2 HIS 11 HD2 HIS 11 44.049 11.220 -3.418 91 HE1 HIS 11 HE1 HIS 11 45.832 12.544 -7.005 92 H GLY 12 HN GLY 12 49.016 12.873 -1.148 93 HA2 GLY 12 HA1 GLY 12 48.308 13.926 1.434 94 HA3 GLY 12 HA2 GLY 12 49.856 13.171 1.003 95 H GLY 13 HN GLY 13 49.426 15.496 -1.237 96 HA2 GLY 13 HA1 GLY 13 50.367 17.795 0.391 97 HA3 GLY 13 HA2 GLY 13 51.484 17.143 -0.828 98 H ARG 14 HN ARG 14 49.844 16.503 -2.930 99 HA ARG 14 HA ARG 14 49.495 18.972 -4.250 100 HB2 ARG 14 HB2 ARG 14 47.801 16.520 -4.813 101 HB3 ARG 14 HB1 ARG 14 48.350 17.761 -5.956 102 HG2 ARG 14 HG2 ARG 14 50.071 15.694 -4.524 103 HG3 ARG 14 HG1 ARG 14 49.742 15.799 -6.265 104 HD2 ARG 14 HD2 ARG 14 51.408 17.683 -4.552 105 HD3 ARG 14 HD1 ARG 14 51.914 16.747 -5.979 106 HE ARG 14 HE ARG 14 49.782 18.693 -6.528 107 HH11 ARG 14 HH11 ARG 14 53.005 18.899 -5.564 108 HH12 ARG 14 HH12 ARG 14 53.531 19.824 -6.931 109 HH21 ARG 14 HH21 ARG 14 50.517 19.537 -8.621 110 HH22 ARG 14 HH22 ARG 14 52.123 20.184 -8.661 111 H PHE 15 HN PHE 15 47.089 17.025 -2.462 112 HA PHE 15 HA PHE 15 44.740 18.389 -2.938 113 HB2 PHE 15 HB2 PHE 15 45.073 16.483 -1.325 114 HB3 PHE 15 HB1 PHE 15 45.696 17.661 -0.143 115 HD1 PHE 15 HD1 PHE 15 44.210 19.179 1.018 116 HD2 PHE 15 HD2 PHE 15 42.712 16.644 -2.138 117 HE1 PHE 15 HE1 PHE 15 41.874 19.753 1.665 118 HE2 PHE 15 HE2 PHE 15 40.376 17.218 -1.491 119 HZ PHE 15 HZ PHE 15 39.957 18.719 0.455 120 H ILE 16 HN ILE 16 47.595 19.640 -1.441 121 HA ILE 16 HA ILE 16 46.511 22.334 -1.484 122 HB ILE 16 HB ILE 16 45.565 21.460 0.668 123 HG12 ILE 16 HG12 ILE 16 47.671 23.643 1.024 124 HG13 ILE 16 HG11 ILE 16 46.079 23.876 0.269 125 HG21 ILE 16 HG21 ILE 16 47.857 20.086 1.058 126 HG22 ILE 16 HG22 ILE 16 46.859 20.639 2.421 127 HG23 ILE 16 HG23 ILE 16 48.302 21.560 1.952 128 HD11 ILE 16 HD1 ILE 16 45.989 24.534 2.635 129 HD12 ILE 16 HD2 ILE 16 46.598 22.933 3.121 130 HD13 ILE 16 HD3 ILE 16 44.992 23.084 2.369 131 H HIS 17 HN HIS 17 48.404 21.585 -2.993 132 HA HIS 17 HA HIS 17 50.779 22.978 -1.939 133 HB2 HIS 17 HB2 HIS 17 51.253 20.654 -1.218 134 HB3 HIS 17 HB1 HIS 17 51.025 20.092 -2.889 135 HD1 HIS 17 HD1 HIS 17 52.989 23.017 -1.328 136 HD2 HIS 17 HD2 HIS 17 53.492 19.882 -4.086 137 HE1 HIS 17 HE1 HIS 17 55.385 23.152 -2.209 138 H GLY 18 HN GLY 18 49.565 20.822 -4.576 139 HA2 GLY 18 HA1 GLY 18 51.006 22.248 -6.645 140 HA3 GLY 18 HA2 GLY 18 49.573 21.207 -6.880 141 H MET 19 HN MET 19 47.571 22.105 -5.870 142 HA MET 19 HA MET 19 47.008 24.649 -5.252 143 HB2 MET 19 HB2 MET 19 47.740 24.797 -8.020 144 HB3 MET 19 HB1 MET 19 45.982 24.980 -7.970 145 HG2 MET 19 HG2 MET 19 47.076 27.173 -7.810 146 HG3 MET 19 HG1 MET 19 46.201 26.801 -6.309 147 HE1 MET 19 HE1 MET 19 49.432 26.452 -8.222 148 HE2 MET 19 HE2 MET 19 50.711 26.950 -7.090 149 HE3 MET 19 HE3 MET 19 49.538 28.146 -7.687 150 H ILE 20 HN ILE 20 45.757 23.297 -3.980 151 HA ILE 20 HA ILE 20 43.705 22.335 -3.442 152 HB ILE 20 HB ILE 20 42.538 22.978 -6.181 153 HG12 ILE 20 HG12 ILE 20 43.457 25.122 -5.785 154 HG13 ILE 20 HG11 ILE 20 41.827 25.255 -5.108 155 HG21 ILE 20 HG21 ILE 20 40.485 23.371 -4.796 156 HG22 ILE 20 HG22 ILE 20 41.412 22.931 -3.344 157 HG23 ILE 20 HG23 ILE 20 41.143 21.732 -4.625 158 HD11 ILE 20 HD1 ILE 20 43.051 24.496 -2.852 159 HD12 ILE 20 HD2 ILE 20 43.091 26.187 -3.381 160 HD13 ILE 20 HD3 ILE 20 44.486 25.134 -3.680 161 H GLN 21 HN GLN 21 45.923 21.529 -5.383 162 HA GLN 21 HA GLN 21 46.523 19.224 -5.831 163 HB2 GLN 21 HB2 GLN 21 45.028 17.501 -6.397 164 HB3 GLN 21 HB1 GLN 21 44.093 18.423 -5.211 165 HG2 GLN 21 HG2 GLN 21 43.283 19.713 -7.497 166 HG3 GLN 21 HG1 GLN 21 43.687 18.132 -8.192 167 HE21 GLN 21 HE21 GLN 21 42.664 16.169 -7.013 168 HE22 GLN 21 HE22 GLN 21 41.034 16.401 -6.375 169 H ASN 22 HN ASN 22 46.272 21.861 -6.954 170 HA ASN 22 HA ASN 22 46.571 22.973 -8.931 171 HB2 ASN 22 HB2 ASN 22 48.590 21.714 -8.981 172 HB3 ASN 22 HB1 ASN 22 47.755 20.286 -9.663 173 HD21 ASN 22 HD21 ASN 22 48.152 23.833 -10.421 174 HD22 ASN 22 HD22 ASN 22 48.315 23.578 -12.161 175 H HIS 23 HN HIS 23 44.049 22.172 -8.431 176 HA HIS 23 HA HIS 23 42.764 20.623 -10.432 177 HB2 HIS 23 HB2 HIS 23 41.644 21.460 -8.401 178 HB3 HIS 23 HB1 HIS 23 41.743 23.123 -9.024 179 HD1 HIS 23 HD1 HIS 23 39.864 19.891 -9.378 180 HD2 HIS 23 HD2 HIS 23 40.062 23.602 -11.344 181 HE1 HIS 23 HE1 HIS 23 37.811 20.062 -10.890 182 H HIS 24 HN HIS 24 42.918 20.811 -12.564 183 HA HIS 24 HA HIS 24 43.854 23.052 -13.981 184 HB2 HIS 24 HB2 HIS 24 43.576 20.753 -14.915 185 HB3 HIS 24 HB1 HIS 24 41.815 21.015 -14.959 186 HD1 HIS 24 HD1 HIS 24 41.279 21.318 -17.394 187 HD2 HIS 24 HD2 HIS 24 44.591 23.609 -16.180 188 HE1 HIS 24 HE1 HIS 24 41.964 22.777 -19.377 Start of MODEL 62 1 H1 PHE 1 HT1 PHE 1 54.470 0.680 -11.667 2 H2 PHE 1 HT2 PHE 1 53.377 1.855 -12.228 3 H3 PHE 1 HT3 PHE 1 54.053 1.988 -10.674 4 HA PHE 1 HA PHE 1 56.120 1.774 -12.532 5 HB2 PHE 1 HB2 PHE 1 54.046 3.930 -13.104 6 HB3 PHE 1 HB1 PHE 1 55.689 3.880 -13.787 7 HD1 PHE 1 HD1 PHE 1 56.358 2.054 -15.342 8 HD2 PHE 1 HD2 PHE 1 52.312 2.417 -13.884 9 HE1 PHE 1 HE1 PHE 1 55.576 0.506 -17.129 10 HE2 PHE 1 HE2 PHE 1 51.530 0.869 -15.672 11 HZ PHE 1 HZ PHE 1 53.175 -0.153 -17.241 12 H LEU 2 HN LEU 2 54.324 3.035 -9.937 13 HA LEU 2 HA LEU 2 56.013 5.350 -9.376 14 HB2 LEU 2 HB2 LEU 2 53.933 3.780 -7.815 15 HB3 LEU 2 HB1 LEU 2 54.877 5.078 -7.048 16 HG LEU 2 HG LEU 2 54.072 6.702 -8.682 17 HD11 LEU 2 HD11 LEU 2 52.836 4.245 -9.988 18 HD12 LEU 2 HD12 LEU 2 53.907 5.469 -10.715 19 HD13 LEU 2 HD13 LEU 2 52.227 5.887 -10.311 20 HD21 LEU 2 HD21 LEU 2 52.649 6.211 -6.701 21 HD22 LEU 2 HD22 LEU 2 51.786 4.967 -7.638 22 HD23 LEU 2 HD23 LEU 2 51.666 6.679 -8.109 23 H GLY 3 HN GLY 3 57.907 5.448 -8.348 24 HA2 GLY 3 HA1 GLY 3 59.495 3.181 -7.882 25 HA3 GLY 3 HA2 GLY 3 59.761 4.771 -7.142 26 H ALA 4 HN ALA 4 57.565 5.067 -5.522 27 HA ALA 4 HA ALA 4 57.025 2.716 -3.933 28 HB1 ALA 4 HB1 ALA 4 59.372 2.951 -3.292 29 HB2 ALA 4 HB2 ALA 4 58.314 3.359 -1.920 30 HB3 ALA 4 HB3 ALA 4 59.102 4.653 -2.854 31 H LEU 5 HN LEU 5 56.601 3.811 -1.449 32 HA LEU 5 HA LEU 5 54.209 5.369 -1.952 33 HB2 LEU 5 HB2 LEU 5 54.567 3.710 -0.059 34 HB3 LEU 5 HB1 LEU 5 55.636 4.911 0.693 35 HG LEU 5 HG LEU 5 53.606 6.560 0.456 36 HD11 LEU 5 HD11 LEU 5 52.251 3.852 0.076 37 HD12 LEU 5 HD12 LEU 5 52.119 5.292 -0.961 38 HD13 LEU 5 HD13 LEU 5 51.392 5.295 0.658 39 HD21 LEU 5 HD21 LEU 5 52.672 5.769 2.611 40 HD22 LEU 5 HD22 LEU 5 54.450 5.670 2.608 41 HD23 LEU 5 HD23 LEU 5 53.476 4.198 2.384 42 H ILE 6 HN ILE 6 54.979 7.230 -3.071 43 HA ILE 6 HA ILE 6 55.823 9.386 -1.173 44 HB ILE 6 HB ILE 6 57.656 10.166 -2.661 45 HG12 ILE 6 HG12 ILE 6 57.059 7.609 -4.226 46 HG13 ILE 6 HG11 ILE 6 56.837 9.275 -4.807 47 HG21 ILE 6 HG21 ILE 6 58.049 8.477 -0.779 48 HG22 ILE 6 HG22 ILE 6 59.311 8.548 -2.029 49 HG23 ILE 6 HG23 ILE 6 58.121 7.223 -2.040 50 HD11 ILE 6 HD1 ILE 6 58.921 8.636 -5.737 51 HD12 ILE 6 HD2 ILE 6 59.425 7.787 -4.258 52 HD13 ILE 6 HD3 ILE 6 59.385 9.567 -4.293 53 H LYS 7 HN LYS 7 56.500 11.134 -3.535 54 HA LYS 7 HA LYS 7 55.199 12.796 -4.521 55 HB2 LYS 7 HB2 LYS 7 53.447 10.378 -5.201 56 HB3 LYS 7 HB1 LYS 7 53.050 12.032 -5.724 57 HG2 LYS 7 HG2 LYS 7 55.342 12.152 -6.799 58 HG3 LYS 7 HG1 LYS 7 55.535 10.420 -6.435 59 HD2 LYS 7 HD2 LYS 7 53.555 9.878 -7.772 60 HD3 LYS 7 HD1 LYS 7 53.247 11.607 -8.064 61 HE2 LYS 7 HE2 LYS 7 55.349 11.825 -9.291 62 HE3 LYS 7 HE1 LYS 7 55.788 10.145 -8.902 63 HZ1 LYS 7 HZ1 LYS 7 53.335 9.885 -10.006 64 HZ2 LYS 7 HZ2 LYS 7 54.802 9.674 -10.835 65 HZ3 LYS 7 HZ3 LYS 7 53.985 11.160 -10.914 66 H GLY 8 HN GLY 8 55.283 11.719 -2.041 67 HA2 GLY 8 HA1 GLY 8 54.385 11.427 -0.036 68 HA3 GLY 8 HA2 GLY 8 53.886 13.148 -0.257 69 H ALA 9 HN ALA 9 52.951 9.769 -0.560 70 HA ALA 9 HA ALA 9 50.899 8.726 -0.602 71 HB1 ALA 9 HB1 ALA 9 49.209 9.583 0.892 72 HB2 ALA 9 HB2 ALA 9 49.920 11.215 0.836 73 HB3 ALA 9 HB3 ALA 9 50.800 9.886 1.630 74 H ILE 10 HN ILE 10 51.159 9.290 -2.975 75 HA ILE 10 HA ILE 10 50.120 9.830 -4.957 76 HB ILE 10 HB ILE 10 47.801 9.983 -3.029 77 HG12 ILE 10 HG12 ILE 10 46.786 8.468 -4.725 78 HG13 ILE 10 HG11 ILE 10 48.219 8.688 -5.757 79 HG21 ILE 10 HG21 ILE 10 47.758 11.376 -5.727 80 HG22 ILE 10 HG22 ILE 10 47.232 12.004 -4.144 81 HG23 ILE 10 HG23 ILE 10 46.280 10.746 -4.959 82 HD11 ILE 10 HD1 ILE 10 48.302 6.596 -4.356 83 HD12 ILE 10 HD2 ILE 10 48.300 7.622 -2.901 84 HD13 ILE 10 HD3 ILE 10 49.660 7.704 -4.045 85 H HIS 11 HN HIS 11 48.838 12.320 -2.693 86 HA HIS 11 HA HIS 11 50.546 14.362 -3.992 87 HB2 HIS 11 HB2 HIS 11 48.430 14.194 -5.387 88 HB3 HIS 11 HB1 HIS 11 47.515 14.674 -3.939 89 HD1 HIS 11 HD1 HIS 11 50.738 16.321 -3.821 90 HD2 HIS 11 HD2 HIS 11 47.147 17.025 -5.891 91 HE1 HIS 11 HE1 HIS 11 50.747 18.769 -4.551 92 H GLY 12 HN GLY 12 49.143 12.899 -1.407 93 HA2 GLY 12 HA1 GLY 12 49.992 13.882 0.775 94 HA3 GLY 12 HA2 GLY 12 49.223 15.403 0.284 95 H GLY 13 HN GLY 13 47.877 12.169 -0.268 96 HA2 GLY 13 HA1 GLY 13 45.813 11.324 0.371 97 HA3 GLY 13 HA2 GLY 13 46.307 11.822 2.002 98 H ARG 14 HN ARG 14 44.870 13.041 -1.021 99 HA ARG 14 HA ARG 14 42.670 14.264 0.411 100 HB2 ARG 14 HB2 ARG 14 44.288 15.984 0.978 101 HB3 ARG 14 HB1 ARG 14 44.879 16.053 -0.696 102 HG2 ARG 14 HG2 ARG 14 43.328 17.946 -0.081 103 HG3 ARG 14 HG1 ARG 14 42.766 16.991 -1.470 104 HD2 ARG 14 HD2 ARG 14 41.085 15.908 -0.193 105 HD3 ARG 14 HD1 ARG 14 41.850 16.339 1.355 106 HE ARG 14 HE ARG 14 39.991 17.990 -0.124 107 HH11 ARG 14 HH11 ARG 14 40.690 18.027 2.866 108 HH12 ARG 14 HH12 ARG 14 41.366 19.613 3.019 109 HH21 ARG 14 HH21 ARG 14 41.794 20.050 -0.395 110 HH22 ARG 14 HH22 ARG 14 41.992 20.760 1.173 111 H PHE 15 HN PHE 15 44.670 14.739 -2.537 112 HA PHE 15 HA PHE 15 42.357 15.096 -4.244 113 HB2 PHE 15 HB2 PHE 15 45.256 14.372 -4.830 114 HB3 PHE 15 HB1 PHE 15 44.040 14.691 -6.090 115 HD1 PHE 15 HD1 PHE 15 43.341 16.937 -6.609 116 HD2 PHE 15 HD2 PHE 15 45.839 16.181 -3.170 117 HE1 PHE 15 HE1 PHE 15 43.722 19.386 -6.347 118 HE2 PHE 15 HE2 PHE 15 46.219 18.629 -2.908 119 HZ PHE 15 HZ PHE 15 45.188 20.229 -4.517 120 H ILE 16 HN ILE 16 40.902 13.561 -4.632 121 HA ILE 16 HA ILE 16 39.991 11.408 -4.662 122 HB ILE 16 HB ILE 16 40.877 10.005 -6.540 123 HG12 ILE 16 HG12 ILE 16 42.907 12.264 -6.897 124 HG13 ILE 16 HG11 ILE 16 43.306 10.679 -6.200 125 HG21 ILE 16 HG21 ILE 16 40.207 11.539 -8.276 126 HG22 ILE 16 HG22 ILE 16 40.683 12.950 -7.301 127 HG23 ILE 16 HG23 ILE 16 39.277 11.969 -6.824 128 HD11 ILE 16 HD1 ILE 16 42.292 9.680 -8.379 129 HD12 ILE 16 HD2 ILE 16 43.882 10.469 -8.490 130 HD13 ILE 16 HD3 ILE 16 42.425 11.332 -9.029 131 H HIS 17 HN HIS 17 41.450 11.539 -2.420 132 HA HIS 17 HA HIS 17 42.509 8.759 -2.207 133 HB2 HIS 17 HB2 HIS 17 44.481 10.262 -2.544 134 HB3 HIS 17 HB1 HIS 17 43.973 11.195 -1.114 135 HD1 HIS 17 HD1 HIS 17 45.828 8.169 -2.152 136 HD2 HIS 17 HD2 HIS 17 43.855 9.465 1.325 137 HE1 HIS 17 HE1 HIS 17 46.674 6.733 -0.215 138 H GLY 18 HN GLY 18 41.072 11.682 -0.885 139 HA2 GLY 18 HA1 GLY 18 40.940 11.132 1.859 140 HA3 GLY 18 HA2 GLY 18 39.619 11.886 0.916 141 H MET 19 HN MET 19 38.891 10.092 -0.758 142 HA MET 19 HA MET 19 38.419 7.490 0.140 143 HB2 MET 19 HB2 MET 19 37.103 8.834 1.935 144 HB3 MET 19 HB1 MET 19 35.979 9.174 0.608 145 HG2 MET 19 HG2 MET 19 35.431 6.853 0.350 146 HG3 MET 19 HG1 MET 19 36.809 6.335 1.349 147 HE1 MET 19 HE1 MET 19 33.974 5.329 1.574 148 HE2 MET 19 HE2 MET 19 33.499 5.419 3.286 149 HE3 MET 19 HE3 MET 19 35.104 4.793 2.841 150 H ILE 20 HN ILE 20 38.807 9.602 -2.007 151 HA ILE 20 HA ILE 20 38.152 9.805 -4.218 152 HB ILE 20 HB ILE 20 36.438 7.284 -3.949 153 HG12 ILE 20 HG12 ILE 20 38.550 6.576 -3.047 154 HG13 ILE 20 HG11 ILE 20 38.522 6.022 -4.731 155 HG21 ILE 20 HG21 ILE 20 37.268 7.056 -6.390 156 HG22 ILE 20 HG22 ILE 20 37.802 8.744 -6.242 157 HG23 ILE 20 HG23 ILE 20 36.088 8.335 -6.039 158 HD11 ILE 20 HD1 ILE 20 40.001 8.439 -3.598 159 HD12 ILE 20 HD2 ILE 20 39.832 8.125 -5.340 160 HD13 ILE 20 HD3 ILE 20 40.705 6.972 -4.311 161 H GLN 21 HN GLN 21 36.416 9.645 -1.401 162 HA GLN 21 HA GLN 21 34.089 11.160 -2.640 163 HB2 GLN 21 HB2 GLN 21 33.396 8.818 -2.185 164 HB3 GLN 21 HB1 GLN 21 33.877 9.021 -0.484 165 HG2 GLN 21 HG2 GLN 21 32.188 10.667 -0.088 166 HG3 GLN 21 HG1 GLN 21 31.882 10.888 -1.827 167 HE21 GLN 21 HE21 GLN 21 31.093 8.964 1.010 168 HE22 GLN 21 HE22 GLN 21 29.966 7.878 0.191 169 H ASN 22 HN ASN 22 36.601 10.939 -0.241 170 HA ASN 22 HA ASN 22 35.209 13.056 1.411 171 HB2 ASN 22 HB2 ASN 22 36.006 10.900 2.546 172 HB3 ASN 22 HB1 ASN 22 37.662 11.430 2.182 173 HD21 ASN 22 HD21 ASN 22 34.732 13.298 3.248 174 HD22 ASN 22 HD22 ASN 22 35.526 13.984 4.670 175 H HIS 23 HN HIS 23 37.633 12.324 -0.874 176 HA HIS 23 HA HIS 23 39.788 13.950 -0.428 177 HB2 HIS 23 HB2 HIS 23 39.600 14.527 -2.975 178 HB3 HIS 23 HB1 HIS 23 39.721 12.816 -2.500 179 HD1 HIS 23 HD1 HIS 23 38.469 12.449 -4.902 180 HD2 HIS 23 HD2 HIS 23 36.203 14.292 -1.879 181 HE1 HIS 23 HE1 HIS 23 36.009 12.241 -5.560 182 H HIS 24 HN HIS 24 37.723 15.499 -2.790 183 HA HIS 24 HA HIS 24 38.244 18.107 -1.632 184 HB2 HIS 24 HB2 HIS 24 37.960 17.750 -4.063 185 HB3 HIS 24 HB1 HIS 24 36.266 17.274 -3.793 186 HD1 HIS 24 HD1 HIS 24 38.580 20.263 -3.053 187 HD2 HIS 24 HD2 HIS 24 34.522 19.424 -3.775 188 HE1 HIS 24 HE1 HIS 24 37.354 22.500 -3.199 Start of MODEL 63 1 H1 PHE 1 HT1 PHE 1 58.058 1.527 -8.144 2 H2 PHE 1 HT2 PHE 1 57.882 0.904 -9.716 3 H3 PHE 1 HT3 PHE 1 57.942 -0.147 -8.381 4 HA PHE 1 HA PHE 1 55.743 1.187 -9.536 5 HB2 PHE 1 HB2 PHE 1 55.925 -0.801 -7.239 6 HB3 PHE 1 HB1 PHE 1 54.504 -0.469 -8.260 7 HD1 PHE 1 HD1 PHE 1 54.432 -1.202 -10.613 8 HD2 PHE 1 HD2 PHE 1 57.826 -2.081 -8.095 9 HE1 PHE 1 HE1 PHE 1 55.230 -2.880 -12.273 10 HE2 PHE 1 HE2 PHE 1 58.623 -3.760 -9.756 11 HZ PHE 1 HZ PHE 1 57.293 -4.201 -11.816 12 H LEU 2 HN LEU 2 56.596 3.375 -8.600 13 HA LEU 2 HA LEU 2 56.191 3.902 -5.798 14 HB2 LEU 2 HB2 LEU 2 55.883 5.921 -8.047 15 HB3 LEU 2 HB1 LEU 2 56.419 6.208 -6.375 16 HG LEU 2 HG LEU 2 57.913 4.631 -8.519 17 HD11 LEU 2 HD11 LEU 2 58.672 7.189 -7.044 18 HD12 LEU 2 HD12 LEU 2 57.914 7.163 -8.654 19 HD13 LEU 2 HD13 LEU 2 59.523 6.441 -8.416 20 HD21 LEU 2 HD21 LEU 2 58.410 5.042 -5.540 21 HD22 LEU 2 HD22 LEU 2 59.742 4.683 -6.666 22 HD23 LEU 2 HD23 LEU 2 58.411 3.521 -6.464 23 H GLY 3 HN GLY 3 54.504 6.378 -6.543 24 HA2 GLY 3 HA1 GLY 3 52.246 6.944 -6.659 25 HA3 GLY 3 HA2 GLY 3 51.863 5.274 -7.126 26 H ALA 4 HN ALA 4 53.791 5.845 -4.282 27 HA ALA 4 HA ALA 4 51.624 6.057 -2.392 28 HB1 ALA 4 HB1 ALA 4 52.747 3.288 -2.920 29 HB2 ALA 4 HB2 ALA 4 51.049 3.811 -3.023 30 HB3 ALA 4 HB3 ALA 4 51.862 3.730 -1.441 31 H LEU 5 HN LEU 5 54.893 4.785 -3.054 32 HA LEU 5 HA LEU 5 55.801 5.228 -0.314 33 HB2 LEU 5 HB2 LEU 5 57.588 4.963 -2.753 34 HB3 LEU 5 HB1 LEU 5 57.912 4.467 -1.075 35 HG LEU 5 HG LEU 5 55.895 3.219 -2.994 36 HD11 LEU 5 HD11 LEU 5 58.345 2.668 -3.296 37 HD12 LEU 5 HD12 LEU 5 57.337 1.265 -2.866 38 HD13 LEU 5 HD13 LEU 5 58.356 2.043 -1.629 39 HD21 LEU 5 HD21 LEU 5 56.440 2.778 -0.028 40 HD22 LEU 5 HD22 LEU 5 55.673 1.536 -1.046 41 HD23 LEU 5 HD23 LEU 5 54.884 3.114 -0.821 42 H ILE 6 HN ILE 6 55.203 7.261 -2.984 43 HA ILE 6 HA ILE 6 56.216 9.588 -1.539 44 HB ILE 6 HB ILE 6 58.324 8.446 -2.659 45 HG12 ILE 6 HG12 ILE 6 59.030 10.915 -3.507 46 HG13 ILE 6 HG11 ILE 6 57.501 11.365 -2.723 47 HG21 ILE 6 HG21 ILE 6 58.614 8.463 -4.947 48 HG22 ILE 6 HG22 ILE 6 57.683 9.953 -5.185 49 HG23 ILE 6 HG23 ILE 6 56.839 8.406 -4.953 50 HD11 ILE 6 HD1 ILE 6 58.373 10.004 -0.683 51 HD12 ILE 6 HD2 ILE 6 59.123 11.585 -1.008 52 HD13 ILE 6 HD3 ILE 6 59.959 10.088 -1.485 53 H LYS 7 HN LYS 7 56.654 11.020 -4.224 54 HA LYS 7 HA LYS 7 55.202 12.474 -5.319 55 HB2 LYS 7 HB2 LYS 7 53.487 9.940 -5.445 56 HB3 LYS 7 HB1 LYS 7 52.984 11.484 -6.171 57 HG2 LYS 7 HG2 LYS 7 54.851 11.491 -7.683 58 HG3 LYS 7 HG1 LYS 7 55.641 10.149 -6.820 59 HD2 LYS 7 HD2 LYS 7 54.545 9.369 -8.911 60 HD3 LYS 7 HD1 LYS 7 53.811 8.627 -7.470 61 HE2 LYS 7 HE2 LYS 7 51.870 9.983 -7.613 62 HE3 LYS 7 HE1 LYS 7 52.668 11.177 -8.668 63 HZ1 LYS 7 HZ1 LYS 7 51.231 8.847 -9.384 64 HZ2 LYS 7 HZ2 LYS 7 52.826 8.721 -9.957 65 HZ3 LYS 7 HZ3 LYS 7 51.868 10.057 -10.387 66 H GLY 8 HN GLY 8 55.557 11.796 -2.724 67 HA2 GLY 8 HA1 GLY 8 54.839 11.776 -0.621 68 HA3 GLY 8 HA2 GLY 8 54.300 13.448 -1.044 69 H ALA 9 HN ALA 9 53.387 10.050 -0.811 70 HA ALA 9 HA ALA 9 51.355 9.016 -0.512 71 HB1 ALA 9 HB1 ALA 9 49.681 10.293 0.889 72 HB2 ALA 9 HB2 ALA 9 50.788 11.686 0.813 73 HB3 ALA 9 HB3 ALA 9 51.312 10.172 1.589 74 H ILE 10 HN ILE 10 51.612 9.745 -3.045 75 HA ILE 10 HA ILE 10 50.379 10.018 -4.958 76 HB ILE 10 HB ILE 10 48.312 9.441 -2.966 77 HG12 ILE 10 HG12 ILE 10 48.224 9.167 -6.004 78 HG13 ILE 10 HG11 ILE 10 49.069 8.036 -4.925 79 HG21 ILE 10 HG21 ILE 10 46.347 10.453 -4.062 80 HG22 ILE 10 HG22 ILE 10 47.413 11.354 -5.164 81 HG23 ILE 10 HG23 ILE 10 47.426 11.706 -3.417 82 HD11 ILE 10 HD1 ILE 10 46.689 7.931 -3.696 83 HD12 ILE 10 HD2 ILE 10 47.002 6.956 -5.149 84 HD13 ILE 10 HD3 ILE 10 46.096 8.480 -5.283 85 H HIS 11 HN HIS 11 49.860 12.363 -2.364 86 HA HIS 11 HA HIS 11 50.611 14.559 -4.061 87 HB2 HIS 11 HB2 HIS 11 48.342 14.226 -5.000 88 HB3 HIS 11 HB1 HIS 11 47.647 14.356 -3.367 89 HD1 HIS 11 HD1 HIS 11 50.214 16.463 -5.333 90 HD2 HIS 11 HD2 HIS 11 46.733 16.926 -3.017 91 HE1 HIS 11 HE1 HIS 11 49.694 18.963 -5.230 92 H GLY 12 HN GLY 12 49.464 13.095 -1.182 93 HA2 GLY 12 HA1 GLY 12 50.862 14.302 0.735 94 HA3 GLY 12 HA2 GLY 12 49.678 15.590 0.426 95 H GLY 13 HN GLY 13 48.828 12.224 -0.012 96 HA2 GLY 13 HA1 GLY 13 47.214 10.951 1.051 97 HA3 GLY 13 HA2 GLY 13 47.936 11.543 2.563 98 H ARG 14 HN ARG 14 45.799 12.676 -0.097 99 HA ARG 14 HA ARG 14 43.726 13.401 1.838 100 HB2 ARG 14 HB2 ARG 14 45.681 15.291 1.639 101 HB3 ARG 14 HB1 ARG 14 44.660 15.811 0.285 102 HG2 ARG 14 HG2 ARG 14 43.750 15.396 3.175 103 HG3 ARG 14 HG1 ARG 14 44.005 16.963 2.371 104 HD2 ARG 14 HD2 ARG 14 41.863 14.884 1.826 105 HD3 ARG 14 HD1 ARG 14 41.663 16.604 2.225 106 HE ARG 14 HE ARG 14 42.152 15.517 -0.438 107 HH11 ARG 14 HH11 ARG 14 44.020 17.067 -1.301 108 HH12 ARG 14 HH12 ARG 14 43.517 18.724 -1.260 109 HH21 ARG 14 HH21 ARG 14 40.874 18.144 0.910 110 HH22 ARG 14 HH22 ARG 14 41.736 19.334 -0.007 111 H PHE 15 HN PHE 15 45.065 13.425 -1.439 112 HA PHE 15 HA PHE 15 42.973 14.315 -3.007 113 HB2 PHE 15 HB2 PHE 15 45.177 13.270 -3.760 114 HB3 PHE 15 HB1 PHE 15 44.390 11.686 -3.568 115 HD1 PHE 15 HD1 PHE 15 44.491 14.817 -5.528 116 HD2 PHE 15 HD2 PHE 15 42.514 11.016 -5.021 117 HE1 PHE 15 HE1 PHE 15 43.421 15.076 -7.764 118 HE2 PHE 15 HE2 PHE 15 41.444 11.272 -7.257 119 HZ PHE 15 HZ PHE 15 41.844 13.335 -8.597 120 H ILE 16 HN ILE 16 42.927 11.609 -0.849 121 HA ILE 16 HA ILE 16 40.182 10.852 -1.853 122 HB ILE 16 HB ILE 16 42.137 8.967 -0.463 123 HG12 ILE 16 HG12 ILE 16 41.552 9.356 -3.434 124 HG13 ILE 16 HG11 ILE 16 43.103 9.646 -2.616 125 HG21 ILE 16 HG21 ILE 16 39.699 8.348 -2.179 126 HG22 ILE 16 HG22 ILE 16 39.591 8.575 -0.418 127 HG23 ILE 16 HG23 ILE 16 40.578 7.255 -1.085 128 HD11 ILE 16 HD1 ILE 16 41.706 7.002 -3.143 129 HD12 ILE 16 HD2 ILE 16 42.964 7.150 -1.891 130 HD13 ILE 16 HD3 ILE 16 43.354 7.495 -3.591 131 H HIS 17 HN HIS 17 42.093 9.925 1.047 132 HA HIS 17 HA HIS 17 40.674 11.718 2.814 133 HB2 HIS 17 HB2 HIS 17 38.777 10.208 2.263 134 HB3 HIS 17 HB1 HIS 17 39.728 8.825 2.851 135 HD1 HIS 17 HD1 HIS 17 40.507 11.767 4.848 136 HD2 HIS 17 HD2 HIS 17 37.401 8.932 4.826 137 HE1 HIS 17 HE1 HIS 17 39.373 11.862 7.135 138 H GLY 18 HN GLY 18 43.316 11.179 2.454 139 HA2 GLY 18 HA1 GLY 18 44.872 11.138 4.398 140 HA3 GLY 18 HA2 GLY 18 44.063 9.649 4.938 141 H MET 19 HN MET 19 43.674 8.501 2.464 142 HA MET 19 HA MET 19 45.287 8.127 0.530 143 HB2 MET 19 HB2 MET 19 47.432 8.356 1.458 144 HB3 MET 19 HB1 MET 19 47.041 7.341 2.846 145 HG2 MET 19 HG2 MET 19 47.090 5.336 1.492 146 HG3 MET 19 HG1 MET 19 47.145 6.293 -0.007 147 HE1 MET 19 HE1 MET 19 48.916 5.925 3.474 148 HE2 MET 19 HE2 MET 19 50.499 5.309 2.940 149 HE3 MET 19 HE3 MET 19 49.017 4.390 2.578 150 H ILE 20 HN ILE 20 43.501 7.188 -0.148 151 HA ILE 20 HA ILE 20 42.063 5.410 -0.557 152 HB ILE 20 HB ILE 20 44.065 3.512 0.757 153 HG12 ILE 20 HG12 ILE 20 44.174 4.677 -2.067 154 HG13 ILE 20 HG11 ILE 20 45.347 4.982 -0.768 155 HG21 ILE 20 HG21 ILE 20 43.119 1.874 -0.694 156 HG22 ILE 20 HG22 ILE 20 42.384 3.104 -1.753 157 HG23 ILE 20 HG23 ILE 20 41.719 2.810 -0.133 158 HD11 ILE 20 HD1 ILE 20 45.661 2.409 -0.689 159 HD12 ILE 20 HD2 ILE 20 46.350 3.275 -2.081 160 HD13 ILE 20 HD3 ILE 20 44.817 2.392 -2.256 161 H GLN 21 HN GLN 21 42.503 6.976 1.891 162 HA GLN 21 HA GLN 21 41.149 7.220 3.815 163 HB2 GLN 21 HB2 GLN 21 39.699 5.199 2.864 164 HB3 GLN 21 HB1 GLN 21 40.643 4.222 4.012 165 HG2 GLN 21 HG2 GLN 21 39.938 5.684 5.869 166 HG3 GLN 21 HG1 GLN 21 39.028 6.709 4.734 167 HE21 GLN 21 HE21 GLN 21 39.091 3.537 6.364 168 HE22 GLN 21 HE22 GLN 21 37.439 3.093 5.922 169 H ASN 22 HN ASN 22 43.843 6.742 3.236 170 HA ASN 22 HA ASN 22 45.838 6.072 4.140 171 HB2 ASN 22 HB2 ASN 22 46.025 6.613 6.626 172 HB3 ASN 22 HB1 ASN 22 45.519 7.927 5.524 173 HD21 ASN 22 HD21 ASN 22 44.522 5.871 8.221 174 HD22 ASN 22 HD22 ASN 22 42.924 6.598 8.425 175 H HIS 23 HN HIS 23 44.862 4.008 3.343 176 HA HIS 23 HA HIS 23 44.421 2.007 5.504 177 HB2 HIS 23 HB2 HIS 23 43.179 1.891 3.354 178 HB3 HIS 23 HB1 HIS 23 44.719 1.642 2.496 179 HD1 HIS 23 HD1 HIS 23 42.087 -0.120 4.426 180 HD2 HIS 23 HD2 HIS 23 46.095 -0.838 3.374 181 HE1 HIS 23 HE1 HIS 23 42.530 -2.613 4.769 182 H HIS 24 HN HIS 24 45.975 0.914 6.495 183 HA HIS 24 HA HIS 24 48.742 1.284 5.913 184 HB2 HIS 24 HB2 HIS 24 47.291 -0.911 7.441 185 HB3 HIS 24 HB1 HIS 24 49.060 -0.715 7.418 186 HD1 HIS 24 HD1 HIS 24 50.054 1.503 8.478 187 HD2 HIS 24 HD2 HIS 24 45.925 0.951 9.061 188 HE1 HIS 24 HE1 HIS 24 49.322 3.121 10.315 Start of MODEL 64 1 H1 PHE 1 HT1 PHE 1 65.772 2.562 3.159 2 H2 PHE 1 HT2 PHE 1 66.446 1.801 1.797 3 H3 PHE 1 HT3 PHE 1 65.188 1.051 2.659 4 HA PHE 1 HA PHE 1 64.988 3.587 1.164 5 HB2 PHE 1 HB2 PHE 1 63.899 0.814 0.537 6 HB3 PHE 1 HB1 PHE 1 63.619 2.291 -0.415 7 HD1 PHE 1 HD1 PHE 1 65.324 3.181 -1.885 8 HD2 PHE 1 HD2 PHE 1 66.199 -0.156 0.709 9 HE1 PHE 1 HE1 PHE 1 67.460 2.791 -3.106 10 HE2 PHE 1 HE2 PHE 1 68.335 -0.545 -0.513 11 HZ PHE 1 HZ PHE 1 68.921 0.873 -2.475 12 H LEU 2 HN LEU 2 62.894 4.487 1.091 13 HA LEU 2 HA LEU 2 61.400 4.113 3.574 14 HB2 LEU 2 HB2 LEU 2 61.047 5.836 1.098 15 HB3 LEU 2 HB1 LEU 2 59.811 5.786 2.376 16 HG LEU 2 HG LEU 2 61.428 6.534 4.045 17 HD11 LEU 2 HD11 LEU 2 63.759 7.252 3.150 18 HD12 LEU 2 HD12 LEU 2 63.406 6.202 1.756 19 HD13 LEU 2 HD13 LEU 2 63.479 5.513 3.395 20 HD21 LEU 2 HD21 LEU 2 61.711 8.221 1.516 21 HD22 LEU 2 HD22 LEU 2 61.839 8.788 3.200 22 HD23 LEU 2 HD23 LEU 2 60.275 8.220 2.568 23 H GLY 3 HN GLY 3 61.184 2.991 0.256 24 HA2 GLY 3 HA1 GLY 3 59.769 1.447 -0.721 25 HA3 GLY 3 HA2 GLY 3 59.334 0.922 0.919 26 H ALA 4 HN ALA 4 58.752 4.184 0.773 27 HA ALA 4 HA ALA 4 55.868 3.767 0.717 28 HB1 ALA 4 HB1 ALA 4 57.567 6.283 0.773 29 HB2 ALA 4 HB2 ALA 4 56.831 5.456 2.168 30 HB3 ALA 4 HB3 ALA 4 55.797 6.250 0.955 31 H LEU 5 HN LEU 5 54.425 5.142 -0.657 32 HA LEU 5 HA LEU 5 55.070 4.638 -3.459 33 HB2 LEU 5 HB2 LEU 5 52.739 5.916 -1.990 34 HB3 LEU 5 HB1 LEU 5 52.828 5.922 -3.767 35 HG LEU 5 HG LEU 5 52.912 3.487 -3.829 36 HD11 LEU 5 HD11 LEU 5 53.115 3.765 -0.805 37 HD12 LEU 5 HD12 LEU 5 54.196 2.884 -1.913 38 HD13 LEU 5 HD13 LEU 5 52.569 2.254 -1.572 39 HD21 LEU 5 HD21 LEU 5 50.685 4.571 -3.664 40 HD22 LEU 5 HD22 LEU 5 50.770 4.470 -1.889 41 HD23 LEU 5 HD23 LEU 5 50.686 2.983 -2.863 42 H ILE 6 HN ILE 6 56.202 6.905 -1.414 43 HA ILE 6 HA ILE 6 56.760 9.188 -1.561 44 HB ILE 6 HB ILE 6 58.424 7.581 -2.992 45 HG12 ILE 6 HG12 ILE 6 58.562 10.633 -3.019 46 HG13 ILE 6 HG11 ILE 6 59.100 9.567 -1.703 47 HG21 ILE 6 HG21 ILE 6 56.911 8.206 -5.120 48 HG22 ILE 6 HG22 ILE 6 58.666 7.997 -5.263 49 HG23 ILE 6 HG23 ILE 6 57.976 9.629 -5.169 50 HD11 ILE 6 HD1 ILE 6 61.067 10.107 -2.964 51 HD12 ILE 6 HD2 ILE 6 60.248 9.788 -4.512 52 HD13 ILE 6 HD3 ILE 6 60.636 8.440 -3.415 53 H LYS 7 HN LYS 7 57.161 10.761 -4.030 54 HA LYS 7 HA LYS 7 55.828 12.438 -4.949 55 HB2 LYS 7 HB2 LYS 7 54.839 10.410 -6.274 56 HB3 LYS 7 HB1 LYS 7 53.530 10.426 -5.068 57 HG2 LYS 7 HG2 LYS 7 53.037 12.789 -5.632 58 HG3 LYS 7 HG1 LYS 7 54.341 12.771 -6.843 59 HD2 LYS 7 HD2 LYS 7 53.160 10.846 -7.980 60 HD3 LYS 7 HD1 LYS 7 51.803 11.083 -6.852 61 HE2 LYS 7 HE2 LYS 7 51.477 13.372 -7.654 62 HE3 LYS 7 HE1 LYS 7 52.912 13.243 -8.698 63 HZ1 LYS 7 HZ1 LYS 7 51.711 11.257 -9.717 64 HZ2 LYS 7 HZ2 LYS 7 51.115 12.803 -10.096 65 HZ3 LYS 7 HZ3 LYS 7 50.314 11.839 -8.948 66 H GLY 8 HN GLY 8 56.223 11.480 -2.449 67 HA2 GLY 8 HA1 GLY 8 55.635 11.361 -0.317 68 HA3 GLY 8 HA2 GLY 8 55.195 13.092 -0.566 69 H ALA 9 HN ALA 9 54.058 9.758 -0.513 70 HA ALA 9 HA ALA 9 51.979 8.840 -0.140 71 HB1 ALA 9 HB1 ALA 9 50.532 9.970 1.464 72 HB2 ALA 9 HB2 ALA 9 51.403 11.502 1.208 73 HB3 ALA 9 HB3 ALA 9 52.229 10.124 1.975 74 H ILE 10 HN ILE 10 52.238 9.689 -2.656 75 HA ILE 10 HA ILE 10 51.179 10.703 -4.485 76 HB ILE 10 HB ILE 10 48.740 9.892 -4.683 77 HG12 ILE 10 HG12 ILE 10 49.469 8.461 -2.081 78 HG13 ILE 10 HG11 ILE 10 48.342 9.832 -2.184 79 HG21 ILE 10 HG21 ILE 10 50.787 7.760 -3.931 80 HG22 ILE 10 HG22 ILE 10 50.802 8.636 -5.480 81 HG23 ILE 10 HG23 ILE 10 49.424 7.598 -5.063 82 HD11 ILE 10 HD1 ILE 10 48.023 7.020 -3.274 83 HD12 ILE 10 HD2 ILE 10 47.097 8.368 -3.977 84 HD13 ILE 10 HD3 ILE 10 46.909 7.958 -2.257 85 H HIS 11 HN HIS 11 51.576 12.868 -3.555 86 HA HIS 11 HA HIS 11 50.871 14.993 -2.955 87 HB2 HIS 11 HB2 HIS 11 49.909 14.587 -5.282 88 HB3 HIS 11 HB1 HIS 11 48.354 14.254 -4.489 89 HD1 HIS 11 HD1 HIS 11 49.508 16.604 -2.242 90 HD2 HIS 11 HD2 HIS 11 48.521 16.984 -6.308 91 HE1 HIS 11 HE1 HIS 11 48.934 19.058 -2.660 92 H GLY 12 HN GLY 12 50.065 12.691 -1.193 93 HA2 GLY 12 HA1 GLY 12 48.620 12.266 0.587 94 HA3 GLY 12 HA2 GLY 12 48.843 14.000 0.885 95 H GLY 13 HN GLY 13 46.723 11.495 -0.310 96 HA2 GLY 13 HA1 GLY 13 44.510 11.575 -1.032 97 HA3 GLY 13 HA2 GLY 13 44.329 12.695 0.332 98 H ARG 14 HN ARG 14 45.237 12.517 -3.117 99 HA ARG 14 HA ARG 14 43.531 14.733 -3.805 100 HB2 ARG 14 HB2 ARG 14 45.138 16.159 -2.731 101 HB3 ARG 14 HB1 ARG 14 46.501 15.296 -3.471 102 HG2 ARG 14 HG2 ARG 14 45.948 17.532 -4.542 103 HG3 ARG 14 HG1 ARG 14 45.954 16.158 -5.669 104 HD2 ARG 14 HD2 ARG 14 43.581 16.086 -5.773 105 HD3 ARG 14 HD1 ARG 14 43.396 17.074 -4.304 106 HE ARG 14 HE ARG 14 43.917 18.079 -7.022 107 HH11 ARG 14 HH11 ARG 14 42.175 19.151 -4.656 108 HH12 ARG 14 HH12 ARG 14 42.994 20.644 -4.344 109 HH21 ARG 14 HH21 ARG 14 45.806 19.793 -6.184 110 HH22 ARG 14 HH22 ARG 14 45.051 21.008 -5.207 111 H PHE 15 HN PHE 15 46.751 13.424 -4.749 112 HA PHE 15 HA PHE 15 46.102 13.452 -7.572 113 HB2 PHE 15 HB2 PHE 15 48.427 13.482 -6.766 114 HB3 PHE 15 HB1 PHE 15 48.208 11.878 -6.028 115 HD1 PHE 15 HD1 PHE 15 48.834 9.984 -7.302 116 HD2 PHE 15 HD2 PHE 15 47.738 13.632 -9.340 117 HE1 PHE 15 HE1 PHE 15 49.395 8.933 -9.490 118 HE2 PHE 15 HE2 PHE 15 48.301 12.578 -11.525 119 HZ PHE 15 HZ PHE 15 49.208 10.258 -11.591 120 H ILE 16 HN ILE 16 44.299 12.360 -8.167 121 HA ILE 16 HA ILE 16 42.715 10.630 -8.172 122 HB ILE 16 HB ILE 16 43.756 8.430 -9.050 123 HG12 ILE 16 HG12 ILE 16 46.261 10.180 -9.117 124 HG13 ILE 16 HG11 ILE 16 46.014 8.820 -8.000 125 HG21 ILE 16 HG21 ILE 16 44.136 9.370 -11.250 126 HG22 ILE 16 HG22 ILE 16 44.528 10.963 -10.562 127 HG23 ILE 16 HG23 ILE 16 42.865 10.337 -10.474 128 HD11 ILE 16 HD1 ILE 16 45.559 7.425 -10.188 129 HD12 ILE 16 HD2 ILE 16 47.236 7.830 -9.757 130 HD13 ILE 16 HD3 ILE 16 46.390 8.768 -11.008 131 H HIS 17 HN HIS 17 42.544 10.956 -5.782 132 HA HIS 17 HA HIS 17 42.785 8.291 -4.493 133 HB2 HIS 17 HB2 HIS 17 44.963 9.412 -3.992 134 HB3 HIS 17 HB1 HIS 17 44.065 10.748 -3.232 135 HD1 HIS 17 HD1 HIS 17 45.009 7.114 -2.782 136 HD2 HIS 17 HD2 HIS 17 42.732 10.022 -0.778 137 HE1 HIS 17 HE1 HIS 17 44.554 6.237 -0.425 138 H GLY 18 HN GLY 18 42.106 11.795 -3.851 139 HA2 GLY 18 HA1 GLY 18 40.173 11.364 -1.812 140 HA3 GLY 18 HA2 GLY 18 40.176 12.745 -2.944 141 H MET 19 HN MET 19 39.791 11.900 -5.241 142 HA MET 19 HA MET 19 38.343 9.929 -6.136 143 HB2 MET 19 HB2 MET 19 36.511 11.314 -4.281 144 HB3 MET 19 HB1 MET 19 35.827 11.063 -5.899 145 HG2 MET 19 HG2 MET 19 35.977 8.713 -5.730 146 HG3 MET 19 HG1 MET 19 37.179 8.782 -4.420 147 HE1 MET 19 HE1 MET 19 35.801 7.065 -2.855 148 HE2 MET 19 HE2 MET 19 34.900 6.910 -4.382 149 HE3 MET 19 HE3 MET 19 34.021 7.103 -2.846 150 H ILE 20 HN ILE 20 39.779 10.834 -7.586 151 HA ILE 20 HA ILE 20 40.176 12.023 -9.539 152 HB ILE 20 HB ILE 20 37.252 12.895 -9.630 153 HG12 ILE 20 HG12 ILE 20 38.420 10.170 -10.378 154 HG13 ILE 20 HG11 ILE 20 37.165 10.492 -9.163 155 HG21 ILE 20 HG21 ILE 20 39.080 12.006 -11.903 156 HG22 ILE 20 HG22 ILE 20 39.081 13.678 -11.304 157 HG23 ILE 20 HG23 ILE 20 37.598 12.986 -11.994 158 HD11 ILE 20 HD1 ILE 20 35.957 9.757 -11.071 159 HD12 ILE 20 HD2 ILE 20 36.963 10.713 -12.184 160 HD13 ILE 20 HD3 ILE 20 35.799 11.528 -11.113 161 H GLN 21 HN GLN 21 39.725 12.884 -6.692 162 HA GLN 21 HA GLN 21 40.559 14.860 -5.623 163 HB2 GLN 21 HB2 GLN 21 41.121 15.917 -7.943 164 HB3 GLN 21 HB1 GLN 21 39.468 16.576 -7.907 165 HG2 GLN 21 HG2 GLN 21 39.894 17.867 -5.950 166 HG3 GLN 21 HG1 GLN 21 41.407 17.007 -5.606 167 HE21 GLN 21 HE21 GLN 21 40.897 19.973 -6.126 168 HE22 GLN 21 HE22 GLN 21 41.974 20.365 -7.469 169 H ASN 22 HN ASN 22 38.264 13.280 -5.670 170 HA ASN 22 HA ASN 22 36.007 13.269 -5.175 171 HB2 ASN 22 HB2 ASN 22 37.011 13.620 -3.031 172 HB3 ASN 22 HB1 ASN 22 37.046 15.392 -3.288 173 HD21 ASN 22 HD21 ASN 22 34.485 12.856 -3.834 174 HD22 ASN 22 HD22 ASN 22 33.252 13.708 -2.899 175 H HIS 23 HN HIS 23 36.219 14.265 -7.456 176 HA HIS 23 HA HIS 23 35.172 15.659 -9.003 177 HB2 HIS 23 HB2 HIS 23 33.146 14.754 -7.918 178 HB3 HIS 23 HB1 HIS 23 33.189 16.076 -6.728 179 HD1 HIS 23 HD1 HIS 23 33.183 15.703 -10.565 180 HD2 HIS 23 HD2 HIS 23 31.623 18.185 -7.551 181 HE1 HIS 23 HE1 HIS 23 31.770 17.497 -11.711 182 H HIS 24 HN HIS 24 33.536 17.848 -6.991 183 HA HIS 24 HA HIS 24 35.116 20.070 -7.908 184 HB2 HIS 24 HB2 HIS 24 33.751 21.373 -6.247 185 HB3 HIS 24 HB1 HIS 24 32.776 20.374 -7.352 186 HD1 HIS 24 HD1 HIS 24 34.428 18.174 -4.992 187 HD2 HIS 24 HD2 HIS 24 30.940 20.522 -4.954 188 HE1 HIS 24 HE1 HIS 24 32.970 17.342 -3.066 Start of MODEL 65 1 H1 PHE 1 HT1 PHE 1 61.964 1.827 -0.448 2 H2 PHE 1 HT2 PHE 1 60.361 1.263 -0.467 3 H3 PHE 1 HT3 PHE 1 61.198 1.411 1.004 4 HA PHE 1 HA PHE 1 61.423 3.857 0.359 5 HB2 PHE 1 HB2 PHE 1 58.925 3.058 -1.181 6 HB3 PHE 1 HB1 PHE 1 59.626 4.688 -1.032 7 HD1 PHE 1 HD1 PHE 1 61.653 5.312 -2.251 8 HD2 PHE 1 HD2 PHE 1 60.019 1.329 -2.557 9 HE1 PHE 1 HE1 PHE 1 63.117 4.863 -4.215 10 HE2 PHE 1 HE2 PHE 1 61.485 0.879 -4.522 11 HZ PHE 1 HZ PHE 1 63.066 2.631 -5.323 12 H LEU 2 HN LEU 2 59.297 5.269 0.951 13 HA LEU 2 HA LEU 2 58.600 4.373 3.612 14 HB2 LEU 2 HB2 LEU 2 57.176 6.546 2.039 15 HB3 LEU 2 HB1 LEU 2 57.400 6.420 3.800 16 HG LEU 2 HG LEU 2 59.588 6.893 1.727 17 HD11 LEU 2 HD11 LEU 2 58.536 8.670 3.971 18 HD12 LEU 2 HD12 LEU 2 58.074 8.830 2.260 19 HD13 LEU 2 HD13 LEU 2 59.763 9.099 2.755 20 HD21 LEU 2 HD21 LEU 2 60.960 7.281 3.899 21 HD22 LEU 2 HD22 LEU 2 60.602 5.596 3.457 22 HD23 LEU 2 HD23 LEU 2 59.657 6.402 4.733 23 H GLY 3 HN GLY 3 55.954 5.035 3.952 24 HA2 GLY 3 HA1 GLY 3 54.680 2.581 3.049 25 HA3 GLY 3 HA2 GLY 3 53.943 3.870 4.021 26 H ALA 4 HN ALA 4 55.501 4.741 1.038 27 HA ALA 4 HA ALA 4 53.200 4.401 -0.681 28 HB1 ALA 4 HB1 ALA 4 52.474 6.705 -0.858 29 HB2 ALA 4 HB2 ALA 4 53.701 7.223 0.324 30 HB3 ALA 4 HB3 ALA 4 52.345 6.191 0.840 31 H LEU 5 HN LEU 5 53.523 5.345 -2.807 32 HA LEU 5 HA LEU 5 56.372 5.333 -3.514 33 HB2 LEU 5 HB2 LEU 5 53.771 5.602 -5.061 34 HB3 LEU 5 HB1 LEU 5 55.347 5.830 -5.854 35 HG LEU 5 HG LEU 5 56.054 3.576 -5.150 36 HD11 LEU 5 HD11 LEU 5 54.164 2.069 -4.194 37 HD12 LEU 5 HD12 LEU 5 53.346 3.589 -3.762 38 HD13 LEU 5 HD13 LEU 5 54.945 3.208 -3.077 39 HD21 LEU 5 HD21 LEU 5 54.503 2.285 -6.571 40 HD22 LEU 5 HD22 LEU 5 54.819 3.882 -7.293 41 HD23 LEU 5 HD23 LEU 5 53.286 3.578 -6.440 42 H ILE 6 HN ILE 6 56.354 7.338 -1.841 43 HA ILE 6 HA ILE 6 56.525 9.668 -1.536 44 HB ILE 6 HB ILE 6 57.554 9.962 -4.393 45 HG12 ILE 6 HG12 ILE 6 58.288 7.649 -3.740 46 HG13 ILE 6 HG11 ILE 6 59.633 8.784 -3.945 47 HG21 ILE 6 HG21 ILE 6 58.575 10.774 -1.630 48 HG22 ILE 6 HG22 ILE 6 57.827 11.825 -2.851 49 HG23 ILE 6 HG23 ILE 6 59.426 11.108 -3.155 50 HD11 ILE 6 HD1 ILE 6 60.036 8.937 -1.622 51 HD12 ILE 6 HD2 ILE 6 59.639 7.219 -1.851 52 HD13 ILE 6 HD3 ILE 6 58.418 8.331 -1.199 53 H LYS 7 HN LYS 7 56.545 11.512 -4.038 54 HA LYS 7 HA LYS 7 54.914 13.058 -4.659 55 HB2 LYS 7 HB2 LYS 7 52.952 10.712 -4.711 56 HB3 LYS 7 HB1 LYS 7 52.811 12.249 -5.599 57 HG2 LYS 7 HG2 LYS 7 54.848 11.676 -6.901 58 HG3 LYS 7 HG1 LYS 7 54.962 10.128 -6.029 59 HD2 LYS 7 HD2 LYS 7 52.763 9.446 -6.898 60 HD3 LYS 7 HD1 LYS 7 52.585 11.014 -7.723 61 HE2 LYS 7 HE2 LYS 7 54.544 10.542 -9.123 62 HE3 LYS 7 HE1 LYS 7 54.828 9.016 -8.252 63 HZ1 LYS 7 HZ1 LYS 7 52.182 9.453 -9.438 64 HZ2 LYS 7 HZ2 LYS 7 53.064 8.013 -9.246 65 HZ3 LYS 7 HZ3 LYS 7 53.465 9.100 -10.489 66 H GLY 8 HN GLY 8 55.668 12.015 -2.277 67 HA2 GLY 8 HA1 GLY 8 55.286 11.660 -0.115 68 HA3 GLY 8 HA2 GLY 8 54.700 13.368 -0.192 69 H ALA 9 HN ALA 9 53.763 9.980 -0.514 70 HA ALA 9 HA ALA 9 51.883 8.842 0.130 71 HB1 ALA 9 HB1 ALA 9 50.522 9.650 1.878 72 HB2 ALA 9 HB2 ALA 9 50.768 11.350 1.417 73 HB3 ALA 9 HB3 ALA 9 52.092 10.432 2.169 74 H ILE 10 HN ILE 10 51.663 9.019 -2.257 75 HA ILE 10 HA ILE 10 50.286 9.217 -4.090 76 HB ILE 10 HB ILE 10 48.311 9.668 -1.840 77 HG12 ILE 10 HG12 ILE 10 47.164 7.788 -2.969 78 HG13 ILE 10 HG11 ILE 10 48.356 7.853 -4.288 79 HG21 ILE 10 HG21 ILE 10 47.424 11.382 -3.215 80 HG22 ILE 10 HG22 ILE 10 46.473 9.942 -3.644 81 HG23 ILE 10 HG23 ILE 10 47.786 10.490 -4.712 82 HD11 ILE 10 HD1 ILE 10 50.152 7.229 -2.810 83 HD12 ILE 10 HD2 ILE 10 48.812 6.108 -2.477 84 HD13 ILE 10 HD3 ILE 10 49.135 7.465 -1.370 85 H HIS 11 HN HIS 11 49.178 11.986 -2.084 86 HA HIS 11 HA HIS 11 50.649 13.880 -3.777 87 HB2 HIS 11 HB2 HIS 11 48.583 13.324 -5.136 88 HB3 HIS 11 HB1 HIS 11 47.603 13.966 -3.795 89 HD1 HIS 11 HD1 HIS 11 50.781 15.233 -5.580 90 HD2 HIS 11 HD2 HIS 11 46.997 16.592 -4.347 91 HE1 HIS 11 HE1 HIS 11 50.594 17.688 -6.262 92 H GLY 12 HN GLY 12 49.647 12.787 -0.965 93 HA2 GLY 12 HA1 GLY 12 50.129 13.986 1.077 94 HA3 GLY 12 HA2 GLY 12 49.659 15.512 0.301 95 H GLY 13 HN GLY 13 47.988 12.350 0.369 96 HA2 GLY 13 HA1 GLY 13 45.792 11.872 0.940 97 HA3 GLY 13 HA2 GLY 13 46.161 12.788 2.414 98 H ARG 14 HN ARG 14 45.119 13.158 -0.987 99 HA ARG 14 HA ARG 14 42.993 14.975 -0.168 100 HB2 ARG 14 HB2 ARG 14 45.349 16.280 -0.353 101 HB3 ARG 14 HB1 ARG 14 44.929 16.298 -2.079 102 HG2 ARG 14 HG2 ARG 14 43.260 17.392 0.235 103 HG3 ARG 14 HG1 ARG 14 44.070 18.331 -1.039 104 HD2 ARG 14 HD2 ARG 14 42.606 16.918 -2.695 105 HD3 ARG 14 HD1 ARG 14 41.622 16.557 -1.254 106 HE ARG 14 HE ARG 14 42.139 19.408 -1.549 107 HH11 ARG 14 HH11 ARG 14 39.593 17.982 -0.608 108 HH12 ARG 14 HH12 ARG 14 38.499 18.391 -1.888 109 HH21 ARG 14 HH21 ARG 14 41.003 19.408 -4.061 110 HH22 ARG 14 HH22 ARG 14 39.298 19.198 -3.843 111 H PHE 15 HN PHE 15 45.016 13.533 -2.696 112 HA PHE 15 HA PHE 15 43.146 13.981 -4.859 113 HB2 PHE 15 HB2 PHE 15 45.534 13.468 -5.241 114 HB3 PHE 15 HB1 PHE 15 45.297 11.849 -4.539 115 HD1 PHE 15 HD1 PHE 15 44.595 14.050 -7.431 116 HD2 PHE 15 HD2 PHE 15 44.005 10.129 -5.729 117 HE1 PHE 15 HE1 PHE 15 43.822 13.206 -9.644 118 HE2 PHE 15 HE2 PHE 15 43.230 9.284 -7.941 119 HZ PHE 15 HZ PHE 15 43.053 10.847 -9.874 120 H ILE 16 HN ILE 16 43.383 11.697 -2.251 121 HA ILE 16 HA ILE 16 40.754 10.646 -2.826 122 HB ILE 16 HB ILE 16 42.018 9.351 -4.514 123 HG12 ILE 16 HG12 ILE 16 41.114 7.642 -2.150 124 HG13 ILE 16 HG11 ILE 16 40.032 8.392 -3.344 125 HG21 ILE 16 HG21 ILE 16 43.913 8.073 -4.069 126 HG22 ILE 16 HG22 ILE 16 43.471 7.782 -2.375 127 HG23 ILE 16 HG23 ILE 16 44.155 9.352 -2.858 128 HD11 ILE 16 HD1 ILE 16 40.397 6.123 -4.067 129 HD12 ILE 16 HD2 ILE 16 42.155 6.267 -3.834 130 HD13 ILE 16 HD3 ILE 16 41.355 7.163 -5.147 131 H HIS 17 HN HIS 17 40.925 11.763 -0.735 132 HA HIS 17 HA HIS 17 40.893 9.844 1.407 133 HB2 HIS 17 HB2 HIS 17 43.369 10.032 1.189 134 HB3 HIS 17 HB1 HIS 17 43.240 11.792 1.423 135 HD1 HIS 17 HD1 HIS 17 41.122 9.272 3.328 136 HD2 HIS 17 HD2 HIS 17 44.393 11.830 3.998 137 HE1 HIS 17 HE1 HIS 17 41.566 9.297 5.845 138 H GLY 18 HN GLY 18 40.871 13.018 0.053 139 HA2 GLY 18 HA1 GLY 18 38.860 13.883 2.038 140 HA3 GLY 18 HA2 GLY 18 40.356 14.838 1.982 141 H MET 19 HN MET 19 38.249 13.266 -0.439 142 HA MET 19 HA MET 19 37.241 15.701 -1.614 143 HB2 MET 19 HB2 MET 19 39.587 15.842 -2.225 144 HB3 MET 19 HB1 MET 19 39.436 14.280 -3.015 145 HG2 MET 19 HG2 MET 19 37.788 15.186 -4.593 146 HG3 MET 19 HG1 MET 19 37.800 16.745 -3.736 147 HE1 MET 19 HE1 MET 19 38.051 17.077 -6.561 148 HE2 MET 19 HE2 MET 19 39.540 18.016 -6.826 149 HE3 MET 19 HE3 MET 19 38.478 18.399 -5.450 150 H ILE 20 HN ILE 20 38.583 12.608 -2.901 151 HA ILE 20 HA ILE 20 36.063 11.980 -4.247 152 HB ILE 20 HB ILE 20 38.186 10.012 -3.256 153 HG12 ILE 20 HG12 ILE 20 39.453 11.506 -4.597 154 HG13 ILE 20 HG11 ILE 20 39.010 10.216 -5.728 155 HG21 ILE 20 HG21 ILE 20 35.990 9.886 -5.362 156 HG22 ILE 20 HG22 ILE 20 36.181 8.878 -3.913 157 HG23 ILE 20 HG23 ILE 20 37.310 8.698 -5.272 158 HD11 ILE 20 HD1 ILE 20 38.615 12.283 -6.883 159 HD12 ILE 20 HD2 ILE 20 37.791 12.998 -5.476 160 HD13 ILE 20 HD3 ILE 20 37.009 11.697 -6.401 161 H GLN 21 HN GLN 21 37.151 12.422 -1.213 162 HA GLN 21 HA GLN 21 34.960 10.859 0.076 163 HB2 GLN 21 HB2 GLN 21 37.583 11.774 1.333 164 HB3 GLN 21 HB1 GLN 21 36.334 10.737 2.064 165 HG2 GLN 21 HG2 GLN 21 36.745 9.076 0.188 166 HG3 GLN 21 HG1 GLN 21 38.141 10.070 -0.296 167 HE21 GLN 21 HE21 GLN 21 38.835 7.535 0.418 168 HE22 GLN 21 HE22 GLN 21 39.525 7.502 2.044 169 H ASN 22 HN ASN 22 36.716 13.995 -0.555 170 HA ASN 22 HA ASN 22 34.606 15.271 1.283 171 HB2 ASN 22 HB2 ASN 22 37.155 15.486 1.859 172 HB3 ASN 22 HB1 ASN 22 37.185 16.659 0.527 173 HD21 ASN 22 HD21 ASN 22 36.590 16.318 3.873 174 HD22 ASN 22 HD22 ASN 22 35.710 17.833 4.110 175 H HIS 23 HN HIS 23 34.309 14.555 -1.607 176 HA HIS 23 HA HIS 23 34.541 17.018 -3.119 177 HB2 HIS 23 HB2 HIS 23 34.420 14.817 -4.220 178 HB3 HIS 23 HB1 HIS 23 32.779 14.573 -3.576 179 HD1 HIS 23 HD1 HIS 23 31.021 15.090 -5.256 180 HD2 HIS 23 HD2 HIS 23 34.451 17.460 -5.803 181 HE1 HIS 23 HE1 HIS 23 30.567 16.643 -7.232 182 H HIS 24 HN HIS 24 33.633 18.543 -1.585 183 HA HIS 24 HA HIS 24 31.022 18.475 -0.549 184 HB2 HIS 24 HB2 HIS 24 32.784 20.207 -0.070 185 HB3 HIS 24 HB1 HIS 24 32.422 20.942 -1.651 186 HD1 HIS 24 HD1 HIS 24 29.688 19.419 0.475 187 HD2 HIS 24 HD2 HIS 24 31.146 23.226 -0.554 188 HE1 HIS 24 HE1 HIS 24 28.003 21.136 1.333 Start of MODEL 66 1 H1 PHE 1 HT1 PHE 1 61.145 11.988 -9.694 2 H2 PHE 1 HT2 PHE 1 60.422 10.756 -10.614 3 H3 PHE 1 HT3 PHE 1 61.936 11.381 -11.064 4 HA PHE 1 HA PHE 1 62.443 9.385 -10.082 5 HB2 PHE 1 HB2 PHE 1 63.751 11.345 -9.233 6 HB3 PHE 1 HB1 PHE 1 62.618 11.462 -7.864 7 HD1 PHE 1 HD1 PHE 1 62.579 9.764 -6.101 8 HD2 PHE 1 HD2 PHE 1 65.296 9.441 -9.438 9 HE1 PHE 1 HE1 PHE 1 63.860 8.004 -4.887 10 HE2 PHE 1 HE2 PHE 1 66.578 7.682 -8.225 11 HZ PHE 1 HZ PHE 1 65.846 6.946 -5.959 12 H LEU 2 HN LEU 2 61.672 7.621 -9.103 13 HA LEU 2 HA LEU 2 60.012 7.812 -6.706 14 HB2 LEU 2 HB2 LEU 2 58.029 6.687 -7.694 15 HB3 LEU 2 HB1 LEU 2 58.268 8.331 -8.315 16 HG LEU 2 HG LEU 2 59.464 5.985 -9.847 17 HD11 LEU 2 HD11 LEU 2 56.565 6.917 -10.036 18 HD12 LEU 2 HD12 LEU 2 57.115 5.339 -9.424 19 HD13 LEU 2 HD13 LEU 2 57.361 5.765 -11.134 20 HD21 LEU 2 HD21 LEU 2 60.050 8.185 -10.692 21 HD22 LEU 2 HD22 LEU 2 58.363 8.738 -10.597 22 HD23 LEU 2 HD23 LEU 2 58.834 7.510 -11.793 23 H GLY 3 HN GLY 3 59.016 5.498 -6.279 24 HA2 GLY 3 HA1 GLY 3 60.266 3.209 -7.408 25 HA3 GLY 3 HA2 GLY 3 61.247 3.738 -6.027 26 H ALA 4 HN ALA 4 58.440 4.845 -5.047 27 HA ALA 4 HA ALA 4 56.949 2.442 -4.416 28 HB1 ALA 4 HB1 ALA 4 59.018 2.183 -2.976 29 HB2 ALA 4 HB2 ALA 4 57.472 2.199 -2.093 30 HB3 ALA 4 HB3 ALA 4 58.504 3.649 -2.109 31 H LEU 5 HN LEU 5 56.165 3.469 -1.748 32 HA LEU 5 HA LEU 5 54.144 5.354 -2.698 33 HB2 LEU 5 HB2 LEU 5 54.846 4.140 -0.004 34 HB3 LEU 5 HB1 LEU 5 53.612 5.411 -0.146 35 HG LEU 5 HG LEU 5 52.409 4.003 -1.840 36 HD11 LEU 5 HD11 LEU 5 54.117 2.613 -2.762 37 HD12 LEU 5 HD12 LEU 5 53.108 1.508 -1.802 38 HD13 LEU 5 HD13 LEU 5 54.666 2.076 -1.157 39 HD21 LEU 5 HD21 LEU 5 51.479 2.448 -0.208 40 HD22 LEU 5 HD22 LEU 5 51.888 3.966 0.628 41 HD23 LEU 5 HD23 LEU 5 52.953 2.547 0.785 42 H ILE 6 HN ILE 6 55.035 7.258 -3.357 43 HA ILE 6 HA ILE 6 56.037 9.032 -1.150 44 HB ILE 6 HB ILE 6 57.570 9.081 -3.798 45 HG12 ILE 6 HG12 ILE 6 58.132 7.200 -1.457 46 HG13 ILE 6 HG11 ILE 6 57.714 6.725 -3.121 47 HG21 ILE 6 HG21 ILE 6 59.226 10.194 -2.511 48 HG22 ILE 6 HG22 ILE 6 58.601 9.550 -0.973 49 HG23 ILE 6 HG23 ILE 6 57.699 10.812 -1.841 50 HD11 ILE 6 HD1 ILE 6 60.092 6.534 -2.989 51 HD12 ILE 6 HD2 ILE 6 60.248 8.089 -2.137 52 HD13 ILE 6 HD3 ILE 6 59.795 8.058 -3.860 53 H LYS 7 HN LYS 7 56.928 10.894 -3.467 54 HA LYS 7 HA LYS 7 55.835 12.807 -4.239 55 HB2 LYS 7 HB2 LYS 7 53.410 11.030 -4.793 56 HB3 LYS 7 HB1 LYS 7 53.843 12.554 -5.607 57 HG2 LYS 7 HG2 LYS 7 55.932 11.428 -6.465 58 HG3 LYS 7 HG1 LYS 7 55.331 9.899 -5.781 59 HD2 LYS 7 HD2 LYS 7 53.294 10.065 -7.174 60 HD3 LYS 7 HD1 LYS 7 53.880 11.603 -7.853 61 HE2 LYS 7 HE2 LYS 7 55.948 10.370 -8.646 62 HE3 LYS 7 HE1 LYS 7 55.165 8.855 -8.138 63 HZ1 LYS 7 HZ1 LYS 7 54.169 10.793 -10.165 64 HZ2 LYS 7 HZ2 LYS 7 53.278 9.462 -9.600 65 HZ3 LYS 7 HZ3 LYS 7 54.729 9.218 -10.448 66 H GLY 8 HN GLY 8 55.897 11.547 -1.845 67 HA2 GLY 8 HA1 GLY 8 55.050 11.214 0.188 68 HA3 GLY 8 HA2 GLY 8 54.888 13.011 0.141 69 H ALA 9 HN ALA 9 53.259 9.988 -0.750 70 HA ALA 9 HA ALA 9 51.088 9.294 -0.483 71 HB1 ALA 9 HB1 ALA 9 51.302 10.693 1.710 72 HB2 ALA 9 HB2 ALA 9 49.676 10.279 1.118 73 HB3 ALA 9 HB3 ALA 9 50.332 11.909 0.849 74 H ILE 10 HN ILE 10 51.382 9.684 -2.850 75 HA ILE 10 HA ILE 10 50.794 10.716 -4.855 76 HB ILE 10 HB ILE 10 48.148 10.966 -4.980 77 HG12 ILE 10 HG12 ILE 10 48.525 9.488 -2.328 78 HG13 ILE 10 HG11 ILE 10 47.802 11.103 -2.521 79 HG21 ILE 10 HG21 ILE 10 49.369 8.258 -4.276 80 HG22 ILE 10 HG22 ILE 10 49.543 9.048 -5.862 81 HG23 ILE 10 HG23 ILE 10 47.937 8.558 -5.289 82 HD11 ILE 10 HD1 ILE 10 46.192 9.817 -4.221 83 HD12 ILE 10 HD2 ILE 10 45.882 9.759 -2.472 84 HD13 ILE 10 HD3 ILE 10 46.688 8.395 -3.279 85 H HIS 11 HN HIS 11 47.983 12.455 -3.968 86 HA HIS 11 HA HIS 11 49.469 14.985 -4.469 87 HB2 HIS 11 HB2 HIS 11 47.242 14.419 -5.564 88 HB3 HIS 11 HB1 HIS 11 46.491 14.629 -3.963 89 HD1 HIS 11 HD1 HIS 11 45.360 16.859 -3.988 90 HD2 HIS 11 HD2 HIS 11 49.202 17.003 -5.697 91 HE1 HIS 11 HE1 HIS 11 45.844 19.299 -4.572 92 H GLY 12 HN GLY 12 50.012 13.580 -2.005 93 HA2 GLY 12 HA1 GLY 12 50.461 14.310 0.165 94 HA3 GLY 12 HA2 GLY 12 49.583 15.815 -0.169 95 H GLY 13 HN GLY 13 48.174 12.654 -0.763 96 HA2 GLY 13 HA1 GLY 13 46.457 11.527 0.307 97 HA3 GLY 13 HA2 GLY 13 46.868 12.400 1.798 98 H ARG 14 HN ARG 14 45.865 13.619 -1.408 99 HA ARG 14 HA ARG 14 43.345 14.681 -0.143 100 HB2 ARG 14 HB2 ARG 14 45.286 16.194 -1.934 101 HB3 ARG 14 HB1 ARG 14 43.681 16.781 -1.443 102 HG2 ARG 14 HG2 ARG 14 45.899 16.003 0.506 103 HG3 ARG 14 HG1 ARG 14 45.579 17.667 -0.022 104 HD2 ARG 14 HD2 ARG 14 43.092 17.118 0.798 105 HD3 ARG 14 HD1 ARG 14 43.925 15.886 1.777 106 HE ARG 14 HE ARG 14 45.285 18.390 2.073 107 HH11 ARG 14 HH11 ARG 14 45.153 17.682 4.583 108 HH12 ARG 14 HH12 ARG 14 43.643 18.182 5.264 109 HH21 ARG 14 HH21 ARG 14 42.105 18.648 2.191 110 HH22 ARG 14 HH22 ARG 14 41.917 18.727 3.911 111 H PHE 15 HN PHE 15 45.113 13.543 -3.014 112 HA PHE 15 HA PHE 15 43.134 14.042 -4.970 113 HB2 PHE 15 HB2 PHE 15 45.481 12.900 -5.188 114 HB3 PHE 15 HB1 PHE 15 44.607 11.390 -4.878 115 HD1 PHE 15 HD1 PHE 15 43.557 10.268 -6.689 116 HD2 PHE 15 HD2 PHE 15 44.487 14.469 -7.046 117 HE1 PHE 15 HE1 PHE 15 42.834 10.227 -9.072 118 HE2 PHE 15 HE2 PHE 15 43.762 14.427 -9.428 119 HZ PHE 15 HZ PHE 15 42.962 12.300 -10.450 120 H ILE 16 HN ILE 16 43.449 11.231 -2.771 121 HA ILE 16 HA ILE 16 40.526 10.930 -2.710 122 HB ILE 16 HB ILE 16 40.672 8.462 -3.364 123 HG12 ILE 16 HG12 ILE 16 43.354 9.420 -4.481 124 HG13 ILE 16 HG11 ILE 16 43.128 8.191 -3.223 125 HG21 ILE 16 HG21 ILE 16 41.415 10.322 -5.660 126 HG22 ILE 16 HG22 ILE 16 39.831 10.401 -4.854 127 HG23 ILE 16 HG23 ILE 16 40.329 8.914 -5.688 128 HD11 ILE 16 HD1 ILE 16 41.681 6.935 -4.995 129 HD12 ILE 16 HD2 ILE 16 43.450 6.918 -5.192 130 HD13 ILE 16 HD3 ILE 16 42.458 8.018 -6.175 131 H HIS 17 HN HIS 17 41.510 11.654 -0.577 132 HA HIS 17 HA HIS 17 41.443 9.372 1.216 133 HB2 HIS 17 HB2 HIS 17 43.813 9.215 0.374 134 HB3 HIS 17 HB1 HIS 17 44.104 10.841 1.036 135 HD1 HIS 17 HD1 HIS 17 42.595 7.530 2.317 136 HD2 HIS 17 HD2 HIS 17 45.063 10.681 3.611 137 HE1 HIS 17 HE1 HIS 17 43.318 6.999 4.710 138 H GLY 18 HN GLY 18 41.543 12.650 0.372 139 HA2 GLY 18 HA1 GLY 18 40.561 13.423 3.077 140 HA3 GLY 18 HA2 GLY 18 41.940 14.314 2.392 141 H MET 19 HN MET 19 38.964 12.937 1.008 142 HA MET 19 HA MET 19 37.598 15.430 0.511 143 HB2 MET 19 HB2 MET 19 39.477 15.715 -0.960 144 HB3 MET 19 HB1 MET 19 39.121 14.159 -1.692 145 HG2 MET 19 HG2 MET 19 37.021 14.969 -2.591 146 HG3 MET 19 HG1 MET 19 37.150 16.475 -1.653 147 HE1 MET 19 HE1 MET 19 38.071 18.739 -2.935 148 HE2 MET 19 HE2 MET 19 39.821 18.531 -3.188 149 HE3 MET 19 HE3 MET 19 39.060 17.936 -1.693 150 H ILE 20 HN ILE 20 38.362 12.371 -1.266 151 HA ILE 20 HA ILE 20 35.480 11.827 -1.621 152 HB ILE 20 HB ILE 20 37.836 9.870 -1.709 153 HG12 ILE 20 HG12 ILE 20 38.337 11.496 -3.382 154 HG13 ILE 20 HG11 ILE 20 37.553 10.174 -4.265 155 HG21 ILE 20 HG21 ILE 20 36.149 8.639 -3.261 156 HG22 ILE 20 HG22 ILE 20 34.922 9.720 -2.563 157 HG23 ILE 20 HG23 ILE 20 35.835 8.617 -1.514 158 HD11 ILE 20 HD1 ILE 20 36.550 12.166 -5.106 159 HD12 ILE 20 HD2 ILE 20 36.398 12.876 -3.483 160 HD13 ILE 20 HD3 ILE 20 35.354 11.520 -3.964 161 H GLN 21 HN GLN 21 37.650 12.138 0.759 162 HA GLN 21 HA GLN 21 36.106 10.496 2.709 163 HB2 GLN 21 HB2 GLN 21 39.087 10.933 2.369 164 HB3 GLN 21 HB1 GLN 21 38.423 10.732 4.007 165 HG2 GLN 21 HG2 GLN 21 39.180 8.568 3.011 166 HG3 GLN 21 HG1 GLN 21 37.439 8.574 3.380 167 HE21 GLN 21 HE21 GLN 21 39.727 9.254 0.641 168 HE22 GLN 21 HE22 GLN 21 38.622 8.669 -0.604 169 H ASN 22 HN ASN 22 37.566 13.658 1.602 170 HA ASN 22 HA ASN 22 36.447 14.800 4.235 171 HB2 ASN 22 HB2 ASN 22 38.990 15.051 3.690 172 HB3 ASN 22 HB1 ASN 22 38.457 16.266 2.511 173 HD21 ASN 22 HD21 ASN 22 38.251 15.403 6.016 174 HD22 ASN 22 HD22 ASN 22 38.015 17.069 6.554 175 H HIS 23 HN HIS 23 35.055 14.199 1.615 176 HA HIS 23 HA HIS 23 33.582 15.274 0.173 177 HB2 HIS 23 HB2 HIS 23 33.376 17.131 2.576 178 HB3 HIS 23 HB1 HIS 23 32.212 17.054 1.231 179 HD1 HIS 23 HD1 HIS 23 33.485 13.713 1.811 180 HD2 HIS 23 HD2 HIS 23 30.588 16.129 3.668 181 HE1 HIS 23 HE1 HIS 23 31.948 12.168 3.145 182 H HIS 24 HN HIS 24 32.861 17.692 -0.551 183 HA HIS 24 HA HIS 24 34.987 18.673 -2.116 184 HB2 HIS 24 HB2 HIS 24 33.583 20.702 -2.418 185 HB3 HIS 24 HB1 HIS 24 32.640 19.202 -2.578 186 HD1 HIS 24 HD1 HIS 24 33.041 22.278 -0.479 187 HD2 HIS 24 HD2 HIS 24 30.941 18.638 -0.294 188 HE1 HIS 24 HE1 HIS 24 31.273 22.511 1.353 Start of MODEL 67 1 H1 PHE 1 HT1 PHE 1 53.307 1.557 -12.635 2 H2 PHE 1 HT2 PHE 1 54.777 1.960 -11.884 3 H3 PHE 1 HT3 PHE 1 53.331 2.695 -11.380 4 HA PHE 1 HA PHE 1 52.513 0.426 -10.802 5 HB2 PHE 1 HB2 PHE 1 55.496 -0.159 -10.970 6 HB3 PHE 1 HB1 PHE 1 54.217 -1.275 -10.436 7 HD1 PHE 1 HD1 PHE 1 52.642 -2.261 -12.038 8 HD2 PHE 1 HD2 PHE 1 55.742 0.444 -13.338 9 HE1 PHE 1 HE1 PHE 1 52.254 -2.954 -14.401 10 HE2 PHE 1 HE2 PHE 1 55.355 -0.248 -15.701 11 HZ PHE 1 HZ PHE 1 53.676 -2.015 -16.219 12 H LEU 2 HN LEU 2 54.262 3.100 -10.080 13 HA LEU 2 HA LEU 2 54.924 4.112 -8.099 14 HB2 LEU 2 HB2 LEU 2 52.716 2.242 -7.179 15 HB3 LEU 2 HB1 LEU 2 53.557 3.306 -6.028 16 HG LEU 2 HG LEU 2 52.907 5.284 -7.303 17 HD11 LEU 2 HD11 LEU 2 52.973 4.569 -9.577 18 HD12 LEU 2 HD12 LEU 2 51.256 4.911 -9.264 19 HD13 LEU 2 HD13 LEU 2 51.841 3.229 -9.277 20 HD21 LEU 2 HD21 LEU 2 51.288 4.393 -5.658 21 HD22 LEU 2 HD22 LEU 2 50.565 3.362 -6.918 22 HD23 LEU 2 HD23 LEU 2 50.439 5.134 -7.035 23 H GLY 3 HN GLY 3 54.177 1.250 -6.229 24 HA2 GLY 3 HA1 GLY 3 55.558 -0.056 -4.907 25 HA3 GLY 3 HA2 GLY 3 56.570 -0.189 -6.359 26 H ALA 4 HN ALA 4 55.788 2.549 -4.179 27 HA ALA 4 HA ALA 4 58.487 2.575 -3.057 28 HB1 ALA 4 HB1 ALA 4 57.699 4.802 -4.969 29 HB2 ALA 4 HB2 ALA 4 58.899 3.533 -5.313 30 HB3 ALA 4 HB3 ALA 4 59.193 4.707 -4.008 31 H LEU 5 HN LEU 5 55.248 3.734 -3.428 32 HA LEU 5 HA LEU 5 53.910 5.059 -2.081 33 HB2 LEU 5 HB2 LEU 5 54.806 3.081 -0.560 34 HB3 LEU 5 HB1 LEU 5 55.686 4.373 0.282 35 HG LEU 5 HG LEU 5 52.669 4.266 -0.193 36 HD11 LEU 5 HD11 LEU 5 54.322 4.010 2.360 37 HD12 LEU 5 HD12 LEU 5 53.535 2.661 1.507 38 HD13 LEU 5 HD13 LEU 5 52.548 3.945 2.245 39 HD21 LEU 5 HD21 LEU 5 53.258 6.577 -0.177 40 HD22 LEU 5 HD22 LEU 5 54.508 6.341 1.068 41 HD23 LEU 5 HD23 LEU 5 52.786 6.235 1.502 42 H ILE 6 HN ILE 6 54.572 7.019 -3.093 43 HA ILE 6 HA ILE 6 55.550 8.987 -1.188 44 HB ILE 6 HB ILE 6 57.691 7.682 -2.123 45 HG12 ILE 6 HG12 ILE 6 57.571 10.737 -2.125 46 HG13 ILE 6 HG11 ILE 6 57.747 9.701 -0.694 47 HG21 ILE 6 HG21 ILE 6 57.749 9.725 -4.336 48 HG22 ILE 6 HG22 ILE 6 56.744 8.282 -4.597 49 HG23 ILE 6 HG23 ILE 6 58.477 8.109 -4.252 50 HD11 ILE 6 HD1 ILE 6 59.826 8.722 -1.766 51 HD12 ILE 6 HD2 ILE 6 59.959 10.440 -1.319 52 HD13 ILE 6 HD3 ILE 6 59.695 9.979 -3.017 53 H LYS 7 HN LYS 7 56.599 10.727 -3.480 54 HA LYS 7 HA LYS 7 55.500 12.436 -4.614 55 HB2 LYS 7 HB2 LYS 7 54.847 10.442 -6.185 56 HB3 LYS 7 HB1 LYS 7 53.294 10.442 -5.315 57 HG2 LYS 7 HG2 LYS 7 52.992 12.850 -5.906 58 HG3 LYS 7 HG1 LYS 7 54.510 12.791 -6.837 59 HD2 LYS 7 HD2 LYS 7 53.560 11.008 -8.276 60 HD3 LYS 7 HD1 LYS 7 52.040 11.075 -7.352 61 HE2 LYS 7 HE2 LYS 7 53.268 13.392 -8.913 62 HE3 LYS 7 HE1 LYS 7 51.880 12.409 -9.438 63 HZ1 LYS 7 HZ1 LYS 7 50.560 13.697 -8.236 64 HZ2 LYS 7 HZ2 LYS 7 51.883 14.645 -7.750 65 HZ3 LYS 7 HZ3 LYS 7 51.407 13.304 -6.821 66 H GLY 8 HN GLY 8 55.323 11.399 -2.120 67 HA2 GLY 8 HA1 GLY 8 54.229 11.176 -0.194 68 HA3 GLY 8 HA2 GLY 8 53.926 12.937 -0.446 69 H ALA 9 HN ALA 9 52.683 9.667 -0.881 70 HA ALA 9 HA ALA 9 50.549 8.858 -1.211 71 HB1 ALA 9 HB1 ALA 9 50.455 9.633 1.144 72 HB2 ALA 9 HB2 ALA 9 48.872 9.729 0.335 73 HB3 ALA 9 HB3 ALA 9 49.838 11.204 0.583 74 H ILE 10 HN ILE 10 51.228 10.149 -3.418 75 HA ILE 10 HA ILE 10 50.255 10.978 -5.326 76 HB ILE 10 HB ILE 10 47.943 10.224 -3.821 77 HG12 ILE 10 HG12 ILE 10 46.787 10.495 -6.139 78 HG13 ILE 10 HG11 ILE 10 48.372 11.054 -6.719 79 HG21 ILE 10 HG21 ILE 10 46.252 11.915 -4.311 80 HG22 ILE 10 HG22 ILE 10 47.473 12.979 -5.044 81 HG23 ILE 10 HG23 ILE 10 47.523 12.632 -3.300 82 HD11 ILE 10 HD1 ILE 10 48.386 8.718 -7.151 83 HD12 ILE 10 HD2 ILE 10 47.604 8.337 -5.598 84 HD13 ILE 10 HD3 ILE 10 49.303 8.864 -5.634 85 H HIS 11 HN HIS 11 49.494 12.805 -2.363 86 HA HIS 11 HA HIS 11 50.939 15.129 -3.366 87 HB2 HIS 11 HB2 HIS 11 47.898 15.172 -3.237 88 HB3 HIS 11 HB1 HIS 11 48.871 16.655 -3.108 89 HD1 HIS 11 HD1 HIS 11 47.073 14.836 -5.556 90 HD2 HIS 11 HD2 HIS 11 50.945 16.477 -5.490 91 HE1 HIS 11 HE1 HIS 11 47.809 15.152 -7.983 92 H GLY 12 HN GLY 12 49.224 13.274 -1.051 93 HA2 GLY 12 HA1 GLY 12 50.553 13.846 1.215 94 HA3 GLY 12 HA2 GLY 12 49.498 15.274 1.120 95 H GLY 13 HN GLY 13 48.070 12.607 -0.375 96 HA2 GLY 13 HA1 GLY 13 46.456 11.082 0.311 97 HA3 GLY 13 HA2 GLY 13 46.969 11.328 1.992 98 H ARG 14 HN ARG 14 45.286 13.058 -0.672 99 HA ARG 14 HA ARG 14 42.946 13.515 0.966 100 HB2 ARG 14 HB2 ARG 14 43.153 15.984 1.181 101 HB3 ARG 14 HB1 ARG 14 44.363 15.104 2.136 102 HG2 ARG 14 HG2 ARG 14 45.861 16.556 1.137 103 HG3 ARG 14 HG1 ARG 14 45.759 15.431 -0.232 104 HD2 ARG 14 HD2 ARG 14 43.709 16.911 -0.977 105 HD3 ARG 14 HD1 ARG 14 44.397 18.115 0.135 106 HE ARG 14 HE ARG 14 46.457 17.099 -1.605 107 HH11 ARG 14 HH11 ARG 14 47.231 18.563 -3.147 108 HH12 ARG 14 HH12 ARG 14 46.192 19.825 -3.718 109 HH21 ARG 14 HH21 ARG 14 43.560 18.966 -1.631 110 HH22 ARG 14 HH22 ARG 14 44.114 20.053 -2.860 111 H PHE 15 HN PHE 15 44.960 14.704 -1.732 112 HA PHE 15 HA PHE 15 43.179 16.074 -3.313 113 HB2 PHE 15 HB2 PHE 15 45.587 15.345 -3.851 114 HB3 PHE 15 HB1 PHE 15 44.880 13.839 -4.483 115 HD1 PHE 15 HD1 PHE 15 44.399 17.578 -4.704 116 HD2 PHE 15 HD2 PHE 15 44.263 13.788 -6.769 117 HE1 PHE 15 HE1 PHE 15 43.863 18.755 -6.833 118 HE2 PHE 15 HE2 PHE 15 43.727 14.967 -8.896 119 HZ PHE 15 HZ PHE 15 43.577 17.454 -8.939 120 H ILE 16 HN ILE 16 43.215 12.632 -2.668 121 HA ILE 16 HA ILE 16 40.421 12.382 -3.482 122 HB ILE 16 HB ILE 16 40.872 10.455 -5.055 123 HG12 ILE 16 HG12 ILE 16 43.700 11.614 -5.041 124 HG13 ILE 16 HG11 ILE 16 43.231 10.050 -4.340 125 HG21 ILE 16 HG21 ILE 16 40.370 12.893 -5.768 126 HG22 ILE 16 HG22 ILE 16 41.105 11.833 -6.989 127 HG23 ILE 16 HG23 ILE 16 42.109 13.023 -6.126 128 HD11 ILE 16 HD1 ILE 16 44.073 9.500 -6.493 129 HD12 ILE 16 HD2 ILE 16 43.252 10.878 -7.261 130 HD13 ILE 16 HD3 ILE 16 42.306 9.478 -6.699 131 H HIS 17 HN HIS 17 41.572 12.204 -1.039 132 HA HIS 17 HA HIS 17 41.400 9.246 -0.479 133 HB2 HIS 17 HB2 HIS 17 43.789 10.080 -0.376 134 HB3 HIS 17 HB1 HIS 17 43.287 11.175 0.932 135 HD1 HIS 17 HD1 HIS 17 44.226 7.655 0.208 136 HD2 HIS 17 HD2 HIS 17 42.217 9.713 3.275 137 HE1 HIS 17 HE1 HIS 17 44.170 6.117 2.247 138 H GLY 18 HN GLY 18 41.099 12.617 0.666 139 HA2 GLY 18 HA1 GLY 18 39.990 12.162 3.209 140 HA3 GLY 18 HA2 GLY 18 39.527 13.507 2.138 141 H MET 19 HN MET 19 38.512 12.161 0.037 142 HA MET 19 HA MET 19 36.666 10.238 0.178 143 HB2 MET 19 HB2 MET 19 35.744 12.444 1.923 144 HB3 MET 19 HB1 MET 19 34.536 11.869 0.766 145 HG2 MET 19 HG2 MET 19 34.370 9.759 1.749 146 HG3 MET 19 HG1 MET 19 36.024 9.793 2.393 147 HE1 MET 19 HE1 MET 19 34.124 9.496 5.673 148 HE2 MET 19 HE2 MET 19 35.692 9.192 4.886 149 HE3 MET 19 HE3 MET 19 34.189 8.612 4.129 150 H ILE 20 HN ILE 20 38.277 12.345 -1.220 151 HA ILE 20 HA ILE 20 38.142 13.427 -3.255 152 HB ILE 20 HB ILE 20 35.761 11.536 -3.666 153 HG12 ILE 20 HG12 ILE 20 37.319 10.450 -5.265 154 HG13 ILE 20 HG11 ILE 20 38.570 11.646 -4.855 155 HG21 ILE 20 HG21 ILE 20 36.925 13.690 -5.465 156 HG22 ILE 20 HG22 ILE 20 35.219 13.392 -5.049 157 HG23 ILE 20 HG23 ILE 20 36.077 12.275 -6.134 158 HD11 ILE 20 HD1 ILE 20 37.276 9.966 -2.678 159 HD12 ILE 20 HD2 ILE 20 38.859 10.782 -2.672 160 HD13 ILE 20 HD3 ILE 20 38.617 9.318 -3.650 161 H GLN 21 HN GLN 21 35.992 13.365 -0.722 162 HA GLN 21 HA GLN 21 34.638 15.933 -1.697 163 HB2 GLN 21 HB2 GLN 21 33.135 13.886 -1.554 164 HB3 GLN 21 HB1 GLN 21 33.433 13.889 0.200 165 HG2 GLN 21 HG2 GLN 21 32.498 16.134 0.410 166 HG3 GLN 21 HG1 GLN 21 32.324 16.267 -1.356 167 HE21 GLN 21 HE21 GLN 21 30.225 15.889 -2.044 168 HE22 GLN 21 HE22 GLN 21 29.102 14.772 -1.260 169 H ASN 22 HN ASN 22 36.540 14.337 0.810 170 HA ASN 22 HA ASN 22 35.970 16.654 2.666 171 HB2 ASN 22 HB2 ASN 22 37.173 13.906 3.157 172 HB3 ASN 22 HB1 ASN 22 37.086 15.200 4.374 173 HD21 ASN 22 HD21 ASN 22 35.454 14.527 5.797 174 HD22 ASN 22 HD22 ASN 22 33.833 14.057 5.273 175 H HIS 23 HN HIS 23 38.488 14.834 0.935 176 HA HIS 23 HA HIS 23 40.749 15.310 0.662 177 HB2 HIS 23 HB2 HIS 23 39.863 18.213 0.814 178 HB3 HIS 23 HB1 HIS 23 41.241 17.538 -0.088 179 HD1 HIS 23 HD1 HIS 23 40.815 16.612 -2.411 180 HD2 HIS 23 HD2 HIS 23 37.266 17.417 -0.299 181 HE1 HIS 23 HE1 HIS 23 38.875 16.341 -4.051 182 H HIS 24 HN HIS 24 41.596 18.191 1.740 183 HA HIS 24 HA HIS 24 43.147 17.331 3.903 184 HB2 HIS 24 HB2 HIS 24 43.261 19.716 4.566 185 HB3 HIS 24 HB1 HIS 24 43.438 19.511 2.806 186 HD1 HIS 24 HD1 HIS 24 40.191 18.900 2.570 187 HD2 HIS 24 HD2 HIS 24 42.122 22.342 4.023 188 HE1 HIS 24 HE1 HIS 24 38.524 20.830 2.418 Start of MODEL 68 1 H1 PHE 1 HT1 PHE 1 55.767 0.039 -10.338 2 H2 PHE 1 HT2 PHE 1 57.413 0.365 -10.070 3 H3 PHE 1 HT3 PHE 1 56.239 0.950 -8.988 4 HA PHE 1 HA PHE 1 55.879 -1.782 -9.181 5 HB2 PHE 1 HB2 PHE 1 58.765 -0.915 -8.755 6 HB3 PHE 1 HB1 PHE 1 58.124 -2.522 -8.336 7 HD1 PHE 1 HD1 PHE 1 59.057 -0.239 -11.084 8 HD2 PHE 1 HD2 PHE 1 57.372 -4.087 -10.092 9 HE1 PHE 1 HE1 PHE 1 59.357 -0.978 -13.445 10 HE2 PHE 1 HE2 PHE 1 57.673 -4.827 -12.453 11 HZ PHE 1 HZ PHE 1 58.735 -3.298 -14.111 12 H LEU 2 HN LEU 2 57.488 0.912 -7.471 13 HA LEU 2 HA LEU 2 57.012 -0.158 -4.830 14 HB2 LEU 2 HB2 LEU 2 57.663 2.598 -5.924 15 HB3 LEU 2 HB1 LEU 2 57.356 2.344 -4.191 16 HG LEU 2 HG LEU 2 59.178 0.728 -4.048 17 HD11 LEU 2 HD11 LEU 2 59.270 1.094 -7.068 18 HD12 LEU 2 HD12 LEU 2 59.118 -0.417 -6.140 19 HD13 LEU 2 HD13 LEU 2 60.662 0.463 -6.156 20 HD21 LEU 2 HD21 LEU 2 61.082 2.228 -4.610 21 HD22 LEU 2 HD22 LEU 2 59.751 3.125 -3.842 22 HD23 LEU 2 HD23 LEU 2 59.994 3.227 -5.602 23 H GLY 3 HN GLY 3 55.520 0.584 -3.232 24 HA2 GLY 3 HA1 GLY 3 52.831 0.888 -4.309 25 HA3 GLY 3 HA2 GLY 3 53.294 0.826 -2.598 26 H ALA 4 HN ALA 4 54.684 3.080 -4.932 27 HA ALA 4 HA ALA 4 54.677 5.398 -4.953 28 HB1 ALA 4 HB1 ALA 4 51.817 5.116 -3.976 29 HB2 ALA 4 HB2 ALA 4 52.320 4.918 -5.672 30 HB3 ALA 4 HB3 ALA 4 52.527 6.488 -4.858 31 H LEU 5 HN LEU 5 55.961 4.490 -2.793 32 HA LEU 5 HA LEU 5 54.845 5.497 -0.298 33 HB2 LEU 5 HB2 LEU 5 57.781 4.972 -0.875 34 HB3 LEU 5 HB1 LEU 5 56.924 4.871 0.681 35 HG LEU 5 HG LEU 5 56.459 3.052 -1.726 36 HD11 LEU 5 HD11 LEU 5 57.716 2.467 0.990 37 HD12 LEU 5 HD12 LEU 5 58.634 2.725 -0.512 38 HD13 LEU 5 HD13 LEU 5 57.537 1.332 -0.368 39 HD21 LEU 5 HD21 LEU 5 54.385 3.205 -0.539 40 HD22 LEU 5 HD22 LEU 5 55.200 3.238 1.044 41 HD23 LEU 5 HD23 LEU 5 55.160 1.735 0.091 42 H ILE 6 HN ILE 6 55.461 7.210 -2.894 43 HA ILE 6 HA ILE 6 56.273 9.622 -1.302 44 HB ILE 6 HB ILE 6 57.959 10.289 -3.018 45 HG12 ILE 6 HG12 ILE 6 57.501 7.478 -4.131 46 HG13 ILE 6 HG11 ILE 6 57.043 8.997 -4.936 47 HG21 ILE 6 HG21 ILE 6 58.651 7.504 -2.008 48 HG22 ILE 6 HG22 ILE 6 58.539 8.915 -0.927 49 HG23 ILE 6 HG23 ILE 6 59.739 8.894 -2.238 50 HD11 ILE 6 HD1 ILE 6 59.121 8.431 -5.931 51 HD12 ILE 6 HD2 ILE 6 59.823 7.909 -4.382 52 HD13 ILE 6 HD3 ILE 6 59.560 9.642 -4.703 53 H LYS 7 HN LYS 7 56.723 11.014 -4.004 54 HA LYS 7 HA LYS 7 55.282 12.478 -5.109 55 HB2 LYS 7 HB2 LYS 7 53.633 9.910 -5.241 56 HB3 LYS 7 HB1 LYS 7 52.998 11.448 -5.871 57 HG2 LYS 7 HG2 LYS 7 55.020 11.647 -7.332 58 HG3 LYS 7 HG1 LYS 7 55.566 10.057 -6.750 59 HD2 LYS 7 HD2 LYS 7 53.614 8.965 -7.679 60 HD3 LYS 7 HD1 LYS 7 52.862 10.528 -8.073 61 HE2 LYS 7 HE2 LYS 7 54.755 11.016 -9.630 62 HE3 LYS 7 HE1 LYS 7 55.430 9.407 -9.278 63 HZ1 LYS 7 HZ1 LYS 7 53.595 9.999 -11.215 64 HZ2 LYS 7 HZ2 LYS 7 52.654 9.304 -9.983 65 HZ3 LYS 7 HZ3 LYS 7 53.969 8.451 -10.636 66 H GLY 8 HN GLY 8 55.627 11.820 -2.507 67 HA2 GLY 8 HA1 GLY 8 54.908 11.826 -0.404 68 HA3 GLY 8 HA2 GLY 8 54.379 13.496 -0.840 69 H ALA 9 HN ALA 9 53.424 10.092 -0.706 70 HA ALA 9 HA ALA 9 51.385 9.074 -0.396 71 HB1 ALA 9 HB1 ALA 9 50.601 11.707 0.899 72 HB2 ALA 9 HB2 ALA 9 51.517 10.414 1.709 73 HB3 ALA 9 HB3 ALA 9 49.848 10.117 1.164 74 H ILE 10 HN ILE 10 51.529 9.641 -2.886 75 HA ILE 10 HA ILE 10 50.315 10.024 -4.788 76 HB ILE 10 HB ILE 10 48.187 9.788 -2.705 77 HG12 ILE 10 HG12 ILE 10 49.101 8.019 -4.364 78 HG13 ILE 10 HG11 ILE 10 47.344 8.094 -4.118 79 HG21 ILE 10 HG21 ILE 10 47.604 11.386 -5.224 80 HG22 ILE 10 HG22 ILE 10 47.210 11.789 -3.534 81 HG23 ILE 10 HG23 ILE 10 46.349 10.472 -4.357 82 HD11 ILE 10 HD1 ILE 10 48.677 9.632 -6.380 83 HD12 ILE 10 HD2 ILE 10 46.975 9.148 -6.215 84 HD13 ILE 10 HD3 ILE 10 48.219 7.925 -6.562 85 H HIS 11 HN HIS 11 48.888 12.379 -2.457 86 HA HIS 11 HA HIS 11 50.158 14.590 -3.998 87 HB2 HIS 11 HB2 HIS 11 47.937 14.240 -5.058 88 HB3 HIS 11 HB1 HIS 11 47.161 14.418 -3.466 89 HD1 HIS 11 HD1 HIS 11 49.174 16.370 -6.050 90 HD2 HIS 11 HD2 HIS 11 46.933 17.075 -2.561 91 HE1 HIS 11 HE1 HIS 11 48.878 18.898 -5.834 92 H GLY 12 HN GLY 12 49.414 13.042 -1.181 93 HA2 GLY 12 HA1 GLY 12 50.495 14.158 0.811 94 HA3 GLY 12 HA2 GLY 12 49.524 15.594 0.433 95 H GLY 13 HN GLY 13 48.303 12.302 0.079 96 HA2 GLY 13 HA1 GLY 13 46.560 11.231 1.161 97 HA3 GLY 13 HA2 GLY 13 47.175 11.970 2.652 98 H ARG 14 HN ARG 14 45.114 12.529 -0.196 99 HA ARG 14 HA ARG 14 43.050 13.725 1.441 100 HB2 ARG 14 HB2 ARG 14 44.977 15.545 1.066 101 HB3 ARG 14 HB1 ARG 14 44.202 15.728 -0.521 102 HG2 ARG 14 HG2 ARG 14 42.852 16.018 2.206 103 HG3 ARG 14 HG1 ARG 14 43.245 17.333 1.076 104 HD2 ARG 14 HD2 ARG 14 41.775 15.967 -0.635 105 HD3 ARG 14 HD1 ARG 14 41.126 15.184 0.829 106 HE ARG 14 HE ARG 14 41.027 17.964 1.300 107 HH11 ARG 14 HH11 ARG 14 40.386 17.887 -1.681 108 HH12 ARG 14 HH12 ARG 14 38.659 17.771 -1.648 109 HH21 ARG 14 HH21 ARG 14 38.519 16.846 1.691 110 HH22 ARG 14 HH22 ARG 14 37.601 17.182 0.261 111 H PHE 15 HN PHE 15 44.524 13.560 -1.813 112 HA PHE 15 HA PHE 15 42.252 13.919 -3.395 113 HB2 PHE 15 HB2 PHE 15 44.577 13.602 -4.240 114 HB3 PHE 15 HB1 PHE 15 44.442 11.866 -3.882 115 HD1 PHE 15 HD1 PHE 15 43.408 14.597 -6.122 116 HD2 PHE 15 HD2 PHE 15 42.812 10.441 -5.118 117 HE1 PHE 15 HE1 PHE 15 42.254 14.236 -8.301 118 HE2 PHE 15 HE2 PHE 15 41.659 10.080 -7.298 119 HZ PHE 15 HZ PHE 15 41.451 11.960 -8.920 120 H ILE 16 HN ILE 16 43.324 10.915 -1.738 121 HA ILE 16 HA ILE 16 41.212 9.295 -2.856 122 HB ILE 16 HB ILE 16 42.826 8.974 -0.278 123 HG12 ILE 16 HG12 ILE 16 43.904 7.128 -1.599 124 HG13 ILE 16 HG11 ILE 16 42.928 7.599 -3.009 125 HG21 ILE 16 HG21 ILE 16 40.689 7.218 -1.560 126 HG22 ILE 16 HG22 ILE 16 40.796 7.772 0.128 127 HG23 ILE 16 HG23 ILE 16 41.926 6.540 -0.476 128 HD11 ILE 16 HD1 ILE 16 45.391 8.525 -2.760 129 HD12 ILE 16 HD2 ILE 16 44.654 9.672 -1.617 130 HD13 ILE 16 HD3 ILE 16 44.102 9.615 -3.309 131 H HIS 17 HN HIS 17 41.485 10.047 0.645 132 HA HIS 17 HA HIS 17 38.961 11.473 0.718 133 HB2 HIS 17 HB2 HIS 17 38.148 9.146 0.238 134 HB3 HIS 17 HB1 HIS 17 38.903 8.615 1.761 135 HD1 HIS 17 HD1 HIS 17 36.917 11.825 1.039 136 HD2 HIS 17 HD2 HIS 17 36.685 8.364 3.418 137 HE1 HIS 17 HE1 HIS 17 34.927 12.115 2.615 138 H GLY 18 HN GLY 18 41.209 12.373 1.737 139 HA2 GLY 18 HA1 GLY 18 41.890 13.316 3.767 140 HA3 GLY 18 HA2 GLY 18 40.689 12.354 4.616 141 H MET 19 HN MET 19 43.670 12.016 2.792 142 HA MET 19 HA MET 19 45.274 10.416 3.086 143 HB2 MET 19 HB2 MET 19 45.815 12.328 4.600 144 HB3 MET 19 HB1 MET 19 45.190 11.308 5.913 145 HG2 MET 19 HG2 MET 19 47.029 9.861 5.847 146 HG3 MET 19 HG1 MET 19 47.322 10.122 4.116 147 HE1 MET 19 HE1 MET 19 49.658 9.846 5.391 148 HE2 MET 19 HE2 MET 19 50.665 11.313 5.394 149 HE3 MET 19 HE3 MET 19 49.832 10.807 3.904 150 H ILE 20 HN ILE 20 42.508 9.394 3.716 151 HA ILE 20 HA ILE 20 41.659 7.407 4.557 152 HB ILE 20 HB ILE 20 44.583 6.497 4.318 153 HG12 ILE 20 HG12 ILE 20 43.669 5.234 2.349 154 HG13 ILE 20 HG11 ILE 20 42.094 6.019 2.609 155 HG21 ILE 20 HG21 ILE 20 43.651 5.046 5.950 156 HG22 ILE 20 HG22 ILE 20 43.432 4.165 4.423 157 HG23 ILE 20 HG23 ILE 20 42.059 5.027 5.157 158 HD11 ILE 20 HD1 ILE 20 44.586 7.723 2.295 159 HD12 ILE 20 HD2 ILE 20 42.891 8.135 1.941 160 HD13 ILE 20 HD3 ILE 20 43.789 7.048 0.859 161 H GLN 21 HN GLN 21 43.878 9.465 5.943 162 HA GLN 21 HA GLN 21 43.401 8.307 8.720 163 HB2 GLN 21 HB2 GLN 21 45.799 8.166 7.834 164 HB3 GLN 21 HB1 GLN 21 45.817 9.944 7.873 165 HG2 GLN 21 HG2 GLN 21 45.113 9.803 10.312 166 HG3 GLN 21 HG1 GLN 21 45.390 8.047 10.217 167 HE21 GLN 21 HE21 GLN 21 47.442 7.417 10.866 168 HE22 GLN 21 HE22 GLN 21 48.884 8.431 10.739 169 H ASN 22 HN ASN 22 43.480 11.190 6.570 170 HA ASN 22 HA ASN 22 42.909 12.958 8.890 171 HB2 ASN 22 HB2 ASN 22 42.918 13.480 5.881 172 HB3 ASN 22 HB1 ASN 22 42.698 14.713 7.142 173 HD21 ASN 22 HD21 ASN 22 44.652 13.500 9.030 174 HD22 ASN 22 HD22 ASN 22 46.244 13.799 8.324 175 H HIS 23 HN HIS 23 41.469 11.165 6.266 176 HA HIS 23 HA HIS 23 39.227 10.674 5.819 177 HB2 HIS 23 HB2 HIS 23 39.292 9.991 8.243 178 HB3 HIS 23 HB1 HIS 23 38.659 11.601 8.659 179 HD1 HIS 23 HD1 HIS 23 37.683 9.134 5.866 180 HD2 HIS 23 HD2 HIS 23 35.973 11.169 9.123 181 HE1 HIS 23 HE1 HIS 23 35.173 8.661 5.826 182 H HIS 24 HN HIS 24 40.338 13.722 6.218 183 HA HIS 24 HA HIS 24 37.824 15.204 6.260 184 HB2 HIS 24 HB2 HIS 24 40.641 16.006 5.434 185 HB3 HIS 24 HB1 HIS 24 39.270 17.129 5.603 186 HD1 HIS 24 HD1 HIS 24 42.086 16.597 7.418 187 HD2 HIS 24 HD2 HIS 24 38.049 16.055 8.467 188 HE1 HIS 24 HE1 HIS 24 41.946 16.669 9.968 Start of MODEL 69 1 H1 PHE 1 HT1 PHE 1 53.146 4.330 -8.010 2 H2 PHE 1 HT2 PHE 1 51.807 4.467 -6.973 3 H3 PHE 1 HT3 PHE 1 51.700 3.530 -8.386 4 HA PHE 1 HA PHE 1 52.724 2.875 -5.803 5 HB2 PHE 1 HB2 PHE 1 52.076 1.115 -8.193 6 HB3 PHE 1 HB1 PHE 1 52.088 0.659 -6.473 7 HD1 PHE 1 HD1 PHE 1 50.278 1.334 -4.969 8 HD2 PHE 1 HD2 PHE 1 50.268 2.509 -9.122 9 HE1 PHE 1 HE1 PHE 1 47.890 2.015 -4.769 10 HE2 PHE 1 HE2 PHE 1 47.880 3.190 -8.923 11 HZ PHE 1 HZ PHE 1 46.677 2.895 -6.759 12 H LEU 2 HN LEU 2 54.834 4.132 -6.526 13 HA LEU 2 HA LEU 2 56.641 2.559 -8.222 14 HB2 LEU 2 HB2 LEU 2 56.937 5.024 -6.476 15 HB3 LEU 2 HB1 LEU 2 58.346 4.259 -7.235 16 HG LEU 2 HG LEU 2 57.274 6.202 -8.518 17 HD11 LEU 2 HD11 LEU 2 57.768 5.273 -10.635 18 HD12 LEU 2 HD12 LEU 2 57.219 3.650 -10.172 19 HD13 LEU 2 HD13 LEU 2 58.739 4.294 -9.516 20 HD21 LEU 2 HD21 LEU 2 54.905 5.433 -8.019 21 HD22 LEU 2 HD22 LEU 2 55.143 4.135 -9.214 22 HD23 LEU 2 HD23 LEU 2 55.220 5.837 -9.721 23 H GLY 3 HN GLY 3 55.356 1.521 -5.599 24 HA2 GLY 3 HA1 GLY 3 56.018 0.125 -3.878 25 HA3 GLY 3 HA2 GLY 3 57.470 -0.201 -4.845 26 H ALA 4 HN ALA 4 56.298 2.802 -3.284 27 HA ALA 4 HA ALA 4 58.311 2.652 -1.178 28 HB1 ALA 4 HB1 ALA 4 59.706 3.271 -3.155 29 HB2 ALA 4 HB2 ALA 4 59.684 4.522 -1.887 30 HB3 ALA 4 HB3 ALA 4 58.704 4.729 -3.359 31 H LEU 5 HN LEU 5 55.539 3.848 -2.682 32 HA LEU 5 HA LEU 5 53.949 5.422 -2.054 33 HB2 LEU 5 HB2 LEU 5 55.160 4.602 0.609 34 HB3 LEU 5 HB1 LEU 5 53.810 5.759 0.520 35 HG LEU 5 HG LEU 5 52.413 4.120 -0.630 36 HD11 LEU 5 HD11 LEU 5 53.374 1.712 -0.811 37 HD12 LEU 5 HD12 LEU 5 54.974 2.477 -0.646 38 HD13 LEU 5 HD13 LEU 5 53.917 2.902 -2.014 39 HD21 LEU 5 HD21 LEU 5 53.835 2.814 1.734 40 HD22 LEU 5 HD22 LEU 5 52.179 2.478 1.176 41 HD23 LEU 5 HD23 LEU 5 52.578 4.066 1.874 42 H ILE 6 HN ILE 6 54.839 7.182 -3.180 43 HA ILE 6 HA ILE 6 55.774 9.368 -1.364 44 HB ILE 6 HB ILE 6 57.704 9.938 -2.840 45 HG12 ILE 6 HG12 ILE 6 57.004 7.306 -4.226 46 HG13 ILE 6 HG11 ILE 6 56.906 8.929 -4.943 47 HG21 ILE 6 HG21 ILE 6 57.913 8.384 -0.820 48 HG22 ILE 6 HG22 ILE 6 59.223 8.277 -2.015 49 HG23 ILE 6 HG23 ILE 6 57.953 7.032 -1.976 50 HD11 ILE 6 HD1 ILE 6 59.377 7.344 -4.175 51 HD12 ILE 6 HD2 ILE 6 59.446 9.115 -4.350 52 HD13 ILE 6 HD3 ILE 6 58.978 8.099 -5.734 53 H LYS 7 HN LYS 7 56.671 10.884 -3.860 54 HA LYS 7 HA LYS 7 55.536 12.574 -4.994 55 HB2 LYS 7 HB2 LYS 7 53.690 10.207 -5.548 56 HB3 LYS 7 HB1 LYS 7 53.244 11.850 -6.068 57 HG2 LYS 7 HG2 LYS 7 55.207 12.036 -7.458 58 HG3 LYS 7 HG1 LYS 7 55.909 10.555 -6.768 59 HD2 LYS 7 HD2 LYS 7 54.976 10.015 -8.952 60 HD3 LYS 7 HD1 LYS 7 53.963 9.257 -7.702 61 HE2 LYS 7 HE2 LYS 7 52.233 10.871 -7.963 62 HE3 LYS 7 HE1 LYS 7 53.297 12.002 -8.836 63 HZ1 LYS 7 HZ1 LYS 7 53.243 9.517 -10.176 64 HZ2 LYS 7 HZ2 LYS 7 52.736 11.041 -10.734 65 HZ3 LYS 7 HZ3 LYS 7 51.648 10.030 -9.908 66 H GLY 8 HN GLY 8 55.498 11.693 -2.437 67 HA2 GLY 8 HA1 GLY 8 54.549 11.639 -0.431 68 HA3 GLY 8 HA2 GLY 8 54.235 13.380 -0.790 69 H ALA 9 HN ALA 9 52.961 10.109 -0.774 70 HA ALA 9 HA ALA 9 50.814 9.285 -0.727 71 HB1 ALA 9 HB1 ALA 9 50.162 12.032 0.399 72 HB2 ALA 9 HB2 ALA 9 50.748 10.641 1.342 73 HB3 ALA 9 HB3 ALA 9 49.159 10.570 0.542 74 H ILE 10 HN ILE 10 51.702 10.429 -3.172 75 HA ILE 10 HA ILE 10 50.796 10.820 -5.249 76 HB ILE 10 HB ILE 10 48.537 9.774 -3.835 77 HG12 ILE 10 HG12 ILE 10 47.602 9.506 -6.248 78 HG13 ILE 10 HG11 ILE 10 49.094 10.316 -6.779 79 HG21 ILE 10 HG21 ILE 10 47.620 12.110 -3.707 80 HG22 ILE 10 HG22 ILE 10 46.605 11.000 -4.653 81 HG23 ILE 10 HG23 ILE 10 47.646 12.176 -5.486 82 HD11 ILE 10 HD1 ILE 10 49.621 8.002 -6.874 83 HD12 ILE 10 HD2 ILE 10 48.783 7.657 -5.345 84 HD13 ILE 10 HD3 ILE 10 50.333 8.529 -5.331 85 H HIS 11 HN HIS 11 49.546 12.767 -2.570 86 HA HIS 11 HA HIS 11 50.536 15.215 -3.702 87 HB2 HIS 11 HB2 HIS 11 48.632 14.952 -5.261 88 HB3 HIS 11 HB1 HIS 11 47.520 14.795 -3.881 89 HD1 HIS 11 HD1 HIS 11 50.431 17.254 -4.040 90 HD2 HIS 11 HD2 HIS 11 46.227 17.268 -4.086 91 HE1 HIS 11 HE1 HIS 11 49.676 19.692 -3.923 92 H GLY 12 HN GLY 12 49.117 13.248 -1.390 93 HA2 GLY 12 HA1 GLY 12 49.785 14.340 0.925 94 HA3 GLY 12 HA2 GLY 12 48.476 15.465 0.502 95 H GLY 13 HN GLY 13 47.891 12.471 -0.877 96 HA2 GLY 13 HA1 GLY 13 46.481 10.723 -0.338 97 HA3 GLY 13 HA2 GLY 13 46.795 11.051 1.380 98 H ARG 14 HN ARG 14 45.092 12.483 -1.430 99 HA ARG 14 HA ARG 14 42.564 12.478 -0.009 100 HB2 ARG 14 HB2 ARG 14 44.107 14.516 0.864 101 HB3 ARG 14 HB1 ARG 14 43.466 15.302 -0.592 102 HG2 ARG 14 HG2 ARG 14 41.853 14.090 1.700 103 HG3 ARG 14 HG1 ARG 14 42.007 15.814 1.300 104 HD2 ARG 14 HD2 ARG 14 41.040 15.123 -1.039 105 HD3 ARG 14 HD1 ARG 14 40.509 13.645 -0.198 106 HE ARG 14 HE ARG 14 38.835 14.944 0.824 107 HH11 ARG 14 HH11 ARG 14 40.587 16.958 -1.192 108 HH12 ARG 14 HH12 ARG 14 40.208 18.427 -0.356 109 HH21 ARG 14 HH21 ARG 14 38.705 16.824 2.327 110 HH22 ARG 14 HH22 ARG 14 39.143 18.351 1.638 111 H PHE 15 HN PHE 15 44.631 13.636 -2.640 112 HA PHE 15 HA PHE 15 42.848 14.679 -4.470 113 HB2 PHE 15 HB2 PHE 15 45.323 14.247 -4.799 114 HB3 PHE 15 HB1 PHE 15 44.908 12.565 -5.201 115 HD1 PHE 15 HD1 PHE 15 43.991 11.991 -7.353 116 HD2 PHE 15 HD2 PHE 15 44.372 16.132 -6.195 117 HE1 PHE 15 HE1 PHE 15 43.446 12.692 -9.681 118 HE2 PHE 15 HE2 PHE 15 43.828 16.832 -8.522 119 HZ PHE 15 HZ PHE 15 43.390 15.112 -10.271 120 H ILE 16 HN ILE 16 43.470 11.169 -3.968 121 HA ILE 16 HA ILE 16 41.199 10.500 -5.748 122 HB ILE 16 HB ILE 16 42.764 8.528 -4.029 123 HG12 ILE 16 HG12 ILE 16 43.520 9.709 -6.745 124 HG13 ILE 16 HG11 ILE 16 44.407 9.935 -5.220 125 HG21 ILE 16 HG21 ILE 16 40.672 7.838 -5.292 126 HG22 ILE 16 HG22 ILE 16 42.140 6.965 -5.787 127 HG23 ILE 16 HG23 ILE 16 41.506 8.283 -6.798 128 HD11 ILE 16 HD1 ILE 16 44.147 7.435 -6.918 129 HD12 ILE 16 HD2 ILE 16 44.518 7.302 -5.181 130 HD13 ILE 16 HD3 ILE 16 45.613 8.196 -6.261 131 H HIS 17 HN HIS 17 42.007 9.146 -2.491 132 HA HIS 17 HA HIS 17 39.625 10.190 -1.241 133 HB2 HIS 17 HB2 HIS 17 38.577 8.544 -2.850 134 HB3 HIS 17 HB1 HIS 17 39.480 7.251 -2.028 135 HD1 HIS 17 HD1 HIS 17 37.157 10.157 -1.015 136 HD2 HIS 17 HD2 HIS 17 38.060 6.198 0.085 137 HE1 HIS 17 HE1 HIS 17 35.551 9.502 0.863 138 H GLY 18 HN GLY 18 41.709 10.553 -0.002 139 HA2 GLY 18 HA1 GLY 18 42.959 10.028 1.897 140 HA3 GLY 18 HA2 GLY 18 41.778 8.760 2.219 141 H MET 19 HN MET 19 44.064 9.418 -0.356 142 HA MET 19 HA MET 19 45.338 7.888 -1.442 143 HB2 MET 19 HB2 MET 19 46.488 8.705 0.868 144 HB3 MET 19 HB1 MET 19 46.684 6.950 0.974 145 HG2 MET 19 HG2 MET 19 47.607 8.725 -1.338 146 HG3 MET 19 HG1 MET 19 48.655 8.004 -0.093 147 HE1 MET 19 HE1 MET 19 49.760 7.505 -2.564 148 HE2 MET 19 HE2 MET 19 49.856 5.750 -2.842 149 HE3 MET 19 HE3 MET 19 50.224 6.417 -1.233 150 H ILE 20 HN ILE 20 42.817 6.756 -0.358 151 HA ILE 20 HA ILE 20 41.904 4.632 -0.144 152 HB ILE 20 HB ILE 20 44.253 4.045 -2.010 153 HG12 ILE 20 HG12 ILE 20 42.517 3.792 -3.674 154 HG13 ILE 20 HG11 ILE 20 41.243 3.794 -2.433 155 HG21 ILE 20 HG21 ILE 20 43.057 1.762 -2.320 156 HG22 ILE 20 HG22 ILE 20 42.290 2.095 -0.748 157 HG23 ILE 20 HG23 ILE 20 44.061 1.962 -0.867 158 HD11 ILE 20 HD1 ILE 20 43.113 6.163 -2.846 159 HD12 ILE 20 HD2 ILE 20 41.570 6.123 -1.956 160 HD13 ILE 20 HD3 ILE 20 41.579 5.993 -3.729 161 H GLN 21 HN GLN 21 44.755 5.777 1.054 162 HA GLN 21 HA GLN 21 44.899 3.547 3.104 163 HB2 GLN 21 HB2 GLN 21 47.259 4.752 1.609 164 HB3 GLN 21 HB1 GLN 21 47.385 3.697 3.036 165 HG2 GLN 21 HG2 GLN 21 46.102 1.936 1.793 166 HG3 GLN 21 HG1 GLN 21 46.127 2.982 0.353 167 HE21 GLN 21 HE21 GLN 21 47.342 0.748 -0.300 168 HE22 GLN 21 HE22 GLN 21 49.099 0.834 -0.146 169 H ASN 22 HN ASN 22 45.051 6.991 2.272 170 HA ASN 22 HA ASN 22 46.165 7.655 4.950 171 HB2 ASN 22 HB2 ASN 22 46.803 9.139 3.140 172 HB3 ASN 22 HB1 ASN 22 45.104 9.376 2.666 173 HD21 ASN 22 HD21 ASN 22 47.312 9.806 5.518 174 HD22 ASN 22 HD22 ASN 22 46.489 11.255 6.107 175 H HIS 23 HN HIS 23 43.167 7.617 3.069 176 HA HIS 23 HA HIS 23 40.955 7.437 3.886 177 HB2 HIS 23 HB2 HIS 23 41.845 7.663 6.774 178 HB3 HIS 23 HB1 HIS 23 40.479 6.766 6.079 179 HD1 HIS 23 HD1 HIS 23 41.193 4.678 4.441 180 HD2 HIS 23 HD2 HIS 23 44.101 6.093 7.133 181 HE1 HIS 23 HE1 HIS 23 42.977 2.862 4.659 182 H HIS 24 HN HIS 24 39.703 8.689 6.071 183 HA HIS 24 HA HIS 24 39.432 11.351 5.055 184 HB2 HIS 24 HB2 HIS 24 38.054 11.745 7.066 185 HB3 HIS 24 HB1 HIS 24 37.654 10.185 6.307 186 HD1 HIS 24 HD1 HIS 24 39.794 11.606 9.161 187 HD2 HIS 24 HD2 HIS 24 38.023 7.982 7.975 188 HE1 HIS 24 HE1 HIS 24 40.068 9.957 11.092 Start of MODEL 70 1 H1 PHE 1 HT1 PHE 1 57.551 8.088 8.032 2 H2 PHE 1 HT2 PHE 1 57.553 7.106 9.418 3 H3 PHE 1 HT3 PHE 1 56.084 7.555 8.692 4 HA PHE 1 HA PHE 1 58.172 5.842 7.504 5 HB2 PHE 1 HB2 PHE 1 55.360 5.152 8.443 6 HB3 PHE 1 HB1 PHE 1 56.583 4.031 7.797 7 HD1 PHE 1 HD1 PHE 1 58.638 3.510 9.099 8 HD2 PHE 1 HD2 PHE 1 55.500 5.991 10.722 9 HE1 PHE 1 HE1 PHE 1 59.592 3.225 11.383 10 HE2 PHE 1 HE2 PHE 1 56.454 5.705 13.005 11 HZ PHE 1 HZ PHE 1 58.536 4.373 13.326 12 H LEU 2 HN LEU 2 58.165 7.263 5.651 13 HA LEU 2 HA LEU 2 55.664 7.678 4.183 14 HB2 LEU 2 HB2 LEU 2 58.479 7.971 3.084 15 HB3 LEU 2 HB1 LEU 2 57.001 8.827 2.585 16 HG LEU 2 HG LEU 2 58.407 9.103 5.281 17 HD11 LEU 2 HD11 LEU 2 58.139 10.995 2.904 18 HD12 LEU 2 HD12 LEU 2 59.628 10.172 3.426 19 HD13 LEU 2 HD13 LEU 2 58.881 11.408 4.468 20 HD21 LEU 2 HD21 LEU 2 55.853 10.296 4.123 21 HD22 LEU 2 HD22 LEU 2 56.742 11.080 5.451 22 HD23 LEU 2 HD23 LEU 2 56.070 9.449 5.673 23 H GLY 3 HN GLY 3 55.891 4.971 4.729 24 HA2 GLY 3 HA1 GLY 3 57.178 3.343 2.864 25 HA3 GLY 3 HA2 GLY 3 55.605 2.971 3.596 26 H ALA 4 HN ALA 4 54.345 5.385 2.422 27 HA ALA 4 HA ALA 4 53.234 4.228 0.107 28 HB1 ALA 4 HB1 ALA 4 52.496 6.556 -0.444 29 HB2 ALA 4 HB2 ALA 4 53.538 7.151 0.871 30 HB3 ALA 4 HB3 ALA 4 52.165 6.078 1.237 31 H LEU 5 HN LEU 5 53.329 5.140 -2.147 32 HA LEU 5 HA LEU 5 56.105 4.984 -3.064 33 HB2 LEU 5 HB2 LEU 5 53.997 4.021 -4.213 34 HB3 LEU 5 HB1 LEU 5 53.671 5.685 -4.740 35 HG LEU 5 HG LEU 5 56.201 5.613 -5.587 36 HD11 LEU 5 HD11 LEU 5 56.820 3.438 -4.653 37 HD12 LEU 5 HD12 LEU 5 56.784 3.312 -6.424 38 HD13 LEU 5 HD13 LEU 5 55.441 2.657 -5.460 39 HD21 LEU 5 HD21 LEU 5 53.963 4.091 -6.998 40 HD22 LEU 5 HD22 LEU 5 55.418 4.755 -7.779 41 HD23 LEU 5 HD23 LEU 5 54.219 5.850 -7.052 42 H ILE 6 HN ILE 6 55.902 7.175 -1.392 43 HA ILE 6 HA ILE 6 56.166 9.515 -1.291 44 HB ILE 6 HB ILE 6 57.423 9.391 -4.080 45 HG12 ILE 6 HG12 ILE 6 58.567 8.119 -1.551 46 HG13 ILE 6 HG11 ILE 6 58.109 7.269 -3.045 47 HG21 ILE 6 HG21 ILE 6 58.555 10.558 -1.506 48 HG22 ILE 6 HG22 ILE 6 57.350 11.445 -2.467 49 HG23 ILE 6 HG23 ILE 6 58.915 11.010 -3.189 50 HD11 ILE 6 HD1 ILE 6 59.787 8.819 -4.250 51 HD12 ILE 6 HD2 ILE 6 60.472 7.557 -3.197 52 HD13 ILE 6 HD3 ILE 6 60.385 9.240 -2.626 53 H LYS 7 HN LYS 7 56.469 11.043 -4.012 54 HA LYS 7 HA LYS 7 54.976 12.586 -4.928 55 HB2 LYS 7 HB2 LYS 7 53.119 10.149 -4.937 56 HB3 LYS 7 HB1 LYS 7 52.707 11.710 -5.685 57 HG2 LYS 7 HG2 LYS 7 54.792 11.516 -7.090 58 HG3 LYS 7 HG1 LYS 7 55.027 9.880 -6.431 59 HD2 LYS 7 HD2 LYS 7 52.902 9.136 -7.354 60 HD3 LYS 7 HD1 LYS 7 52.501 10.792 -7.871 61 HE2 LYS 7 HE2 LYS 7 54.905 9.198 -8.865 62 HE3 LYS 7 HE1 LYS 7 53.371 9.379 -9.750 63 HZ1 LYS 7 HZ1 LYS 7 54.088 11.314 -10.514 64 HZ2 LYS 7 HZ2 LYS 7 55.552 11.142 -9.668 65 HZ3 LYS 7 HZ3 LYS 7 54.230 11.920 -8.937 66 H GLY 8 HN GLY 8 55.517 11.819 -2.391 67 HA2 GLY 8 HA1 GLY 8 54.977 11.752 -0.237 68 HA3 GLY 8 HA2 GLY 8 54.465 13.454 -0.560 69 H ALA 9 HN ALA 9 53.517 10.141 -0.061 70 HA ALA 9 HA ALA 9 51.531 9.176 0.556 71 HB1 ALA 9 HB1 ALA 9 51.630 11.091 2.235 72 HB2 ALA 9 HB2 ALA 9 50.014 10.421 1.909 73 HB3 ALA 9 HB3 ALA 9 50.504 11.964 1.169 74 H ILE 10 HN ILE 10 51.804 9.398 -2.078 75 HA ILE 10 HA ILE 10 50.549 9.170 -3.985 76 HB ILE 10 HB ILE 10 48.554 8.876 -1.966 77 HG12 ILE 10 HG12 ILE 10 48.262 8.507 -4.984 78 HG13 ILE 10 HG11 ILE 10 49.045 7.350 -3.884 79 HG21 ILE 10 HG21 ILE 10 47.771 11.210 -2.500 80 HG22 ILE 10 HG22 ILE 10 46.552 9.964 -2.817 81 HG23 ILE 10 HG23 ILE 10 47.465 10.677 -4.167 82 HD11 ILE 10 HD1 ILE 10 46.873 6.466 -4.018 83 HD12 ILE 10 HD2 ILE 10 46.112 8.069 -4.124 84 HD13 ILE 10 HD3 ILE 10 46.740 7.482 -2.564 85 H HIS 11 HN HIS 11 49.813 12.037 -2.005 86 HA HIS 11 HA HIS 11 50.707 13.820 -4.088 87 HB2 HIS 11 HB2 HIS 11 48.522 13.170 -5.092 88 HB3 HIS 11 HB1 HIS 11 47.698 13.727 -3.615 89 HD1 HIS 11 HD1 HIS 11 47.217 16.196 -3.388 90 HD2 HIS 11 HD2 HIS 11 49.810 15.325 -6.580 91 HE1 HIS 11 HE1 HIS 11 47.586 18.367 -4.683 92 H GLY 12 HN GLY 12 49.800 12.967 -1.002 93 HA2 GLY 12 HA1 GLY 12 50.784 14.509 0.734 94 HA3 GLY 12 HA2 GLY 12 49.869 15.823 -0.032 95 H GLY 13 HN GLY 13 48.705 12.506 0.397 96 HA2 GLY 13 HA1 GLY 13 46.889 11.700 1.578 97 HA3 GLY 13 HA2 GLY 13 47.328 12.860 2.848 98 H ARG 14 HN ARG 14 45.755 12.701 -0.373 99 HA ARG 14 HA ARG 14 43.460 14.226 0.685 100 HB2 ARG 14 HB2 ARG 14 45.333 15.902 -0.022 101 HB3 ARG 14 HB1 ARG 14 44.931 15.432 -1.688 102 HG2 ARG 14 HG2 ARG 14 42.932 16.507 0.361 103 HG3 ARG 14 HG1 ARG 14 43.684 17.468 -0.930 104 HD2 ARG 14 HD2 ARG 14 42.720 15.571 -2.520 105 HD3 ARG 14 HD1 ARG 14 41.621 15.266 -1.151 106 HE ARG 14 HE ARG 14 41.618 18.064 -1.654 107 HH11 ARG 14 HH11 ARG 14 40.026 15.166 -2.308 108 HH12 ARG 14 HH12 ARG 14 39.052 15.795 -3.595 109 HH21 ARG 14 HH21 ARG 14 40.674 18.858 -3.682 110 HH22 ARG 14 HH22 ARG 14 39.418 17.886 -4.372 111 H PHE 15 HN PHE 15 45.048 13.481 -2.471 112 HA PHE 15 HA PHE 15 42.634 12.978 -3.876 113 HB2 PHE 15 HB2 PHE 15 44.930 13.221 -4.881 114 HB3 PHE 15 HB1 PHE 15 45.299 11.578 -4.309 115 HD1 PHE 15 HD1 PHE 15 42.898 13.546 -6.420 116 HD2 PHE 15 HD2 PHE 15 44.596 9.671 -5.560 117 HE1 PHE 15 HE1 PHE 15 41.772 12.604 -8.434 118 HE2 PHE 15 HE2 PHE 15 43.469 8.730 -7.573 119 HZ PHE 15 HZ PHE 15 42.063 10.198 -9.013 120 H ILE 16 HN ILE 16 41.168 11.821 -2.660 121 HA ILE 16 HA ILE 16 40.314 10.003 -1.473 122 HB ILE 16 HB ILE 16 39.685 9.426 -3.705 123 HG12 ILE 16 HG12 ILE 16 40.898 6.772 -2.873 124 HG13 ILE 16 HG11 ILE 16 39.777 7.565 -1.746 125 HG21 ILE 16 HG21 ILE 16 41.755 9.688 -4.903 126 HG22 ILE 16 HG22 ILE 16 41.205 8.020 -5.168 127 HG23 ILE 16 HG23 ILE 16 42.516 8.348 -4.017 128 HD11 ILE 16 HD1 ILE 16 39.195 6.878 -4.663 129 HD12 ILE 16 HD2 ILE 16 38.072 7.697 -3.551 130 HD13 ILE 16 HD3 ILE 16 38.570 6.018 -3.238 131 H HIS 17 HN HIS 17 42.071 10.331 0.137 132 HA HIS 17 HA HIS 17 43.113 7.755 0.905 133 HB2 HIS 17 HB2 HIS 17 44.783 8.288 -0.862 134 HB3 HIS 17 HB1 HIS 17 45.177 9.801 -0.011 135 HD1 HIS 17 HD1 HIS 17 46.523 9.656 2.194 136 HD2 HIS 17 HD2 HIS 17 45.622 5.904 0.526 137 HE1 HIS 17 HE1 HIS 17 47.950 7.921 3.408 138 H GLY 18 HN GLY 18 42.621 11.142 1.223 139 HA2 GLY 18 HA1 GLY 18 42.701 10.923 4.143 140 HA3 GLY 18 HA2 GLY 18 43.968 11.967 3.467 141 H MET 19 HN MET 19 40.536 11.352 2.689 142 HA MET 19 HA MET 19 39.515 13.898 3.572 143 HB2 MET 19 HB2 MET 19 40.929 14.615 1.726 144 HB3 MET 19 HB1 MET 19 40.021 13.545 0.667 145 HG2 MET 19 HG2 MET 19 37.960 14.812 1.083 146 HG3 MET 19 HG1 MET 19 38.802 15.828 2.273 147 HE1 MET 19 HE1 MET 19 38.095 18.286 -0.605 148 HE2 MET 19 HE2 MET 19 37.577 17.603 0.954 149 HE3 MET 19 HE3 MET 19 37.133 16.789 -0.565 150 H ILE 20 HN ILE 20 39.189 11.829 0.653 151 HA ILE 20 HA ILE 20 36.309 11.500 1.084 152 HB ILE 20 HB ILE 20 38.201 9.609 -0.405 153 HG12 ILE 20 HG12 ILE 20 38.640 11.686 -1.468 154 HG13 ILE 20 HG11 ILE 20 37.365 10.977 -2.475 155 HG21 ILE 20 HG21 ILE 20 35.200 10.123 -0.491 156 HG22 ILE 20 HG22 ILE 20 36.046 8.621 -0.065 157 HG23 ILE 20 HG23 ILE 20 36.058 9.200 -1.746 158 HD11 ILE 20 HD1 ILE 20 37.098 13.180 -0.384 159 HD12 ILE 20 HD2 ILE 20 35.689 12.325 -1.053 160 HD13 ILE 20 HD3 ILE 20 36.744 13.271 -2.125 161 H GLN 21 HN GLN 21 39.129 10.782 2.548 162 HA GLN 21 HA GLN 21 38.032 8.523 4.156 163 HB2 GLN 21 HB2 GLN 21 40.052 7.935 2.729 164 HB3 GLN 21 HB1 GLN 21 40.961 9.177 3.624 165 HG2 GLN 21 HG2 GLN 21 40.380 8.004 5.761 166 HG3 GLN 21 HG1 GLN 21 39.594 6.722 4.808 167 HE21 GLN 21 HE21 GLN 21 41.733 7.120 2.608 168 HE22 GLN 21 HE22 GLN 21 43.143 6.272 3.252 169 H ASN 22 HN ASN 22 39.508 11.847 3.895 170 HA ASN 22 HA ASN 22 39.367 11.895 6.968 171 HB2 ASN 22 HB2 ASN 22 41.668 12.237 5.780 172 HB3 ASN 22 HB1 ASN 22 41.033 13.838 5.351 173 HD21 ASN 22 HD21 ASN 22 42.184 11.805 8.015 174 HD22 ASN 22 HD22 ASN 22 42.148 13.083 9.234 175 H HIS 23 HN HIS 23 37.178 12.416 4.987 176 HA HIS 23 HA HIS 23 36.662 15.134 4.588 177 HB2 HIS 23 HB2 HIS 23 35.193 13.361 3.758 178 HB3 HIS 23 HB1 HIS 23 34.709 12.950 5.419 179 HD1 HIS 23 HD1 HIS 23 32.944 14.405 6.563 180 HD2 HIS 23 HD2 HIS 23 34.252 15.988 2.893 181 HE1 HIS 23 HE1 HIS 23 31.377 16.330 5.963 182 H HIS 24 HN HIS 24 34.628 13.668 7.071 183 HA HIS 24 HA HIS 24 34.681 16.095 8.644 184 HB2 HIS 24 HB2 HIS 24 32.728 14.582 8.577 185 HB3 HIS 24 HB1 HIS 24 33.689 13.311 9.371 186 HD1 HIS 24 HD1 HIS 24 32.054 16.678 9.988 187 HD2 HIS 24 HD2 HIS 24 34.187 13.762 12.143 188 HE1 HIS 24 HE1 HIS 24 31.810 17.234 12.470 Start of MODEL 71 1 H1 PHE 1 HT1 PHE 1 63.044 7.560 0.985 2 H2 PHE 1 HT2 PHE 1 62.725 8.938 1.927 3 H3 PHE 1 HT3 PHE 1 61.455 8.136 1.132 4 HA PHE 1 HA PHE 1 63.136 6.897 3.210 5 HB2 PHE 1 HB2 PHE 1 60.355 8.096 3.508 6 HB3 PHE 1 HB1 PHE 1 61.342 7.340 4.783 7 HD1 PHE 1 HD1 PHE 1 63.314 8.480 5.705 8 HD2 PHE 1 HD2 PHE 1 60.910 10.317 2.625 9 HE1 PHE 1 HE1 PHE 1 64.415 10.671 6.151 10 HE2 PHE 1 HE2 PHE 1 62.013 12.507 3.071 11 HZ PHE 1 HZ PHE 1 63.757 12.687 4.842 12 H LEU 2 HN LEU 2 59.760 6.981 1.969 13 HA LEU 2 HA LEU 2 59.485 4.098 2.350 14 HB2 LEU 2 HB2 LEU 2 57.644 5.849 0.687 15 HB3 LEU 2 HB1 LEU 2 57.246 4.398 1.637 16 HG LEU 2 HG LEU 2 58.093 7.116 2.734 17 HD11 LEU 2 HD11 LEU 2 55.486 5.539 2.914 18 HD12 LEU 2 HD12 LEU 2 55.757 6.993 1.922 19 HD13 LEU 2 HD13 LEU 2 55.808 7.103 3.698 20 HD21 LEU 2 HD21 LEU 2 57.599 4.421 4.072 21 HD22 LEU 2 HD22 LEU 2 57.492 5.959 4.964 22 HD23 LEU 2 HD23 LEU 2 59.028 5.473 4.211 23 H GLY 3 HN GLY 3 60.075 6.296 -0.382 24 HA2 GLY 3 HA1 GLY 3 60.842 5.843 -2.516 25 HA3 GLY 3 HA2 GLY 3 61.363 4.255 -1.920 26 H ALA 4 HN ALA 4 58.052 5.559 -1.935 27 HA ALA 4 HA ALA 4 57.252 4.178 -4.344 28 HB1 ALA 4 HB1 ALA 4 55.859 2.426 -3.262 29 HB2 ALA 4 HB2 ALA 4 56.599 2.839 -1.697 30 HB3 ALA 4 HB3 ALA 4 57.601 2.173 -3.008 31 H LEU 5 HN LEU 5 55.777 4.613 -1.092 32 HA LEU 5 HA LEU 5 53.403 5.847 -2.293 33 HB2 LEU 5 HB2 LEU 5 54.334 5.278 0.541 34 HB3 LEU 5 HB1 LEU 5 52.871 6.240 0.228 35 HG LEU 5 HG LEU 5 51.953 4.364 -1.138 36 HD11 LEU 5 HD11 LEU 5 53.875 3.216 -1.950 37 HD12 LEU 5 HD12 LEU 5 53.166 2.095 -0.768 38 HD13 LEU 5 HD13 LEU 5 54.586 3.073 -0.326 39 HD21 LEU 5 HD21 LEU 5 51.440 4.565 1.288 40 HD22 LEU 5 HD22 LEU 5 52.858 3.557 1.664 41 HD23 LEU 5 HD23 LEU 5 51.484 2.863 0.770 42 H ILE 6 HN ILE 6 56.048 7.151 -2.715 43 HA ILE 6 HA ILE 6 55.947 9.620 -1.061 44 HB ILE 6 HB ILE 6 57.816 10.366 -2.524 45 HG12 ILE 6 HG12 ILE 6 57.195 7.810 -4.083 46 HG13 ILE 6 HG11 ILE 6 57.026 9.476 -4.681 47 HG21 ILE 6 HG21 ILE 6 58.134 8.669 -0.623 48 HG22 ILE 6 HG22 ILE 6 59.430 8.736 -1.839 49 HG23 ILE 6 HG23 ILE 6 58.233 7.420 -1.888 50 HD11 ILE 6 HD1 ILE 6 59.564 9.718 -4.129 51 HD12 ILE 6 HD2 ILE 6 59.109 8.768 -5.563 52 HD13 ILE 6 HD3 ILE 6 59.567 7.938 -4.059 53 H LYS 7 HN LYS 7 56.691 11.334 -3.447 54 HA LYS 7 HA LYS 7 55.433 13.007 -4.475 55 HB2 LYS 7 HB2 LYS 7 53.768 10.547 -5.172 56 HB3 LYS 7 HB1 LYS 7 53.183 12.178 -5.578 57 HG2 LYS 7 HG2 LYS 7 55.090 12.614 -6.978 58 HG3 LYS 7 HG1 LYS 7 55.943 11.171 -6.380 59 HD2 LYS 7 HD2 LYS 7 55.007 10.712 -8.602 60 HD3 LYS 7 HD1 LYS 7 54.159 9.734 -7.382 61 HE2 LYS 7 HE2 LYS 7 52.224 11.107 -7.454 62 HE3 LYS 7 HE1 LYS 7 53.092 12.449 -8.240 63 HZ1 LYS 7 HZ1 LYS 7 51.621 11.062 -9.715 64 HZ2 LYS 7 HZ2 LYS 7 52.736 9.794 -9.522 65 HZ3 LYS 7 HZ3 LYS 7 53.220 11.252 -10.247 66 H GLY 8 HN GLY 8 55.483 11.968 -1.978 67 HA2 GLY 8 HA1 GLY 8 54.571 11.730 0.026 68 HA3 GLY 8 HA2 GLY 8 54.107 13.458 -0.227 69 H ALA 9 HN ALA 9 53.121 10.129 -0.158 70 HA ALA 9 HA ALA 9 51.065 9.110 -0.102 71 HB1 ALA 9 HB1 ALA 9 50.216 11.852 0.899 72 HB2 ALA 9 HB2 ALA 9 50.748 10.472 1.890 73 HB3 ALA 9 HB3 ALA 9 49.217 10.382 0.984 74 H ILE 10 HN ILE 10 51.715 9.631 -2.586 75 HA ILE 10 HA ILE 10 50.821 9.767 -4.688 76 HB ILE 10 HB ILE 10 48.430 9.393 -3.021 77 HG12 ILE 10 HG12 ILE 10 48.860 8.781 -5.977 78 HG13 ILE 10 HG11 ILE 10 49.510 7.786 -4.656 79 HG21 ILE 10 HG21 ILE 10 47.669 11.583 -3.864 80 HG22 ILE 10 HG22 ILE 10 46.717 10.268 -4.583 81 HG23 ILE 10 HG23 ILE 10 47.992 11.062 -5.536 82 HD11 ILE 10 HD1 ILE 10 47.503 6.661 -5.091 83 HD12 ILE 10 HD2 ILE 10 46.639 8.146 -5.545 84 HD13 ILE 10 HD3 ILE 10 46.958 7.789 -3.831 85 H HIS 11 HN HIS 11 49.912 12.325 -2.407 86 HA HIS 11 HA HIS 11 50.993 14.362 -4.122 87 HB2 HIS 11 HB2 HIS 11 48.935 13.971 -5.430 88 HB3 HIS 11 HB1 HIS 11 47.951 14.226 -3.970 89 HD1 HIS 11 HD1 HIS 11 46.793 16.401 -4.592 90 HD2 HIS 11 HD2 HIS 11 50.977 16.594 -4.971 91 HE1 HIS 11 HE1 HIS 11 47.403 18.840 -5.052 92 H GLY 12 HN GLY 12 49.343 13.179 -1.353 93 HA2 GLY 12 HA1 GLY 12 50.444 14.712 0.592 94 HA3 GLY 12 HA2 GLY 12 49.171 15.801 -0.001 95 H GLY 13 HN GLY 13 48.191 12.689 -0.576 96 HA2 GLY 13 HA1 GLY 13 47.361 11.675 1.914 97 HA3 GLY 13 HA2 GLY 13 46.099 12.806 1.385 98 H ARG 14 HN ARG 14 45.218 12.514 -0.796 99 HA ARG 14 HA ARG 14 45.634 10.087 -2.194 100 HB2 ARG 14 HB2 ARG 14 44.313 9.369 -0.034 101 HB3 ARG 14 HB1 ARG 14 42.917 10.023 -0.914 102 HG2 ARG 14 HG2 ARG 14 44.818 7.871 -1.947 103 HG3 ARG 14 HG1 ARG 14 43.179 7.591 -1.315 104 HD2 ARG 14 HD2 ARG 14 42.414 9.304 -3.136 105 HD3 ARG 14 HD1 ARG 14 44.010 9.004 -3.869 106 HE ARG 14 HE ARG 14 42.874 6.471 -3.356 107 HH11 ARG 14 HH11 ARG 14 43.605 6.619 -6.015 108 HH12 ARG 14 HH12 ARG 14 42.163 6.964 -6.912 109 HH21 ARG 14 HH21 ARG 14 40.393 8.080 -4.148 110 HH22 ARG 14 HH22 ARG 14 40.345 7.791 -5.854 111 H PHE 15 HN PHE 15 45.779 11.650 -3.846 112 HA PHE 15 HA PHE 15 44.913 12.904 -5.598 113 HB2 PHE 15 HB2 PHE 15 43.394 10.844 -5.788 114 HB3 PHE 15 HB1 PHE 15 42.173 11.771 -4.889 115 HD1 PHE 15 HD1 PHE 15 44.438 12.002 -7.888 116 HD2 PHE 15 HD2 PHE 15 40.730 13.248 -6.064 117 HE1 PHE 15 HE1 PHE 15 43.785 13.152 -9.999 118 HE2 PHE 15 HE2 PHE 15 40.077 14.396 -8.176 119 HZ PHE 15 HZ PHE 15 41.585 14.310 -10.156 120 H ILE 16 HN ILE 16 41.999 12.899 -3.505 121 HA ILE 16 HA ILE 16 41.882 15.798 -3.536 122 HB ILE 16 HB ILE 16 40.548 13.825 -1.601 123 HG12 ILE 16 HG12 ILE 16 38.529 14.741 -3.274 124 HG13 ILE 16 HG11 ILE 16 39.892 14.730 -4.409 125 HG21 ILE 16 HG21 ILE 16 38.973 15.755 -1.220 126 HG22 ILE 16 HG22 ILE 16 40.045 16.775 -2.208 127 HG23 ILE 16 HG23 ILE 16 40.632 16.085 -0.677 128 HD11 ILE 16 HD1 ILE 16 38.673 12.416 -2.869 129 HD12 ILE 16 HD2 ILE 16 40.333 12.311 -3.494 130 HD13 ILE 16 HD3 ILE 16 38.976 12.560 -4.616 131 H HIS 17 HN HIS 17 42.273 13.521 -0.782 132 HA HIS 17 HA HIS 17 44.809 14.398 0.100 133 HB2 HIS 17 HB2 HIS 17 43.876 16.637 0.461 134 HB3 HIS 17 HB1 HIS 17 42.527 15.960 1.395 135 HD1 HIS 17 HD1 HIS 17 46.245 15.051 1.648 136 HD2 HIS 17 HD2 HIS 17 43.238 16.907 3.925 137 HE1 HIS 17 HE1 HIS 17 47.188 15.429 3.993 138 H GLY 18 HN GLY 18 44.092 11.862 0.135 139 HA2 GLY 18 HA1 GLY 18 44.412 10.347 2.078 140 HA3 GLY 18 HA2 GLY 18 43.302 11.354 3.021 141 H MET 19 HN MET 19 41.497 11.809 0.888 142 HA MET 19 HA MET 19 40.302 10.207 -0.635 143 HB2 MET 19 HB2 MET 19 40.624 8.090 0.353 144 HB3 MET 19 HB1 MET 19 40.040 8.641 1.925 145 HG2 MET 19 HG2 MET 19 37.763 8.816 1.096 146 HG3 MET 19 HG1 MET 19 38.303 8.523 -0.572 147 HE1 MET 19 HE1 MET 19 40.434 5.778 -0.138 148 HE2 MET 19 HE2 MET 19 39.491 6.667 -1.356 149 HE3 MET 19 HE3 MET 19 39.072 4.984 -0.961 150 H ILE 20 HN ILE 20 39.341 12.043 -1.125 151 HA ILE 20 HA ILE 20 37.671 13.654 -1.040 152 HB ILE 20 HB ILE 20 36.157 11.946 0.992 153 HG12 ILE 20 HG12 ILE 20 36.353 11.539 -2.030 154 HG13 ILE 20 HG11 ILE 20 36.882 10.400 -0.773 155 HG21 ILE 20 HG21 ILE 20 34.216 12.985 0.072 156 HG22 ILE 20 HG22 ILE 20 35.087 13.531 -1.381 157 HG23 ILE 20 HG23 ILE 20 35.403 14.302 0.188 158 HD11 ILE 20 HD1 ILE 20 34.429 10.464 0.067 159 HD12 ILE 20 HD2 ILE 20 34.751 9.590 -1.449 160 HD13 ILE 20 HD3 ILE 20 34.051 11.224 -1.498 161 H GLN 21 HN GLN 21 39.927 13.170 0.780 162 HA GLN 21 HA GLN 21 40.919 14.555 2.415 163 HB2 GLN 21 HB2 GLN 21 38.839 16.187 2.036 164 HB3 GLN 21 HB1 GLN 21 38.224 15.435 3.526 165 HG2 GLN 21 HG2 GLN 21 40.426 15.999 4.636 166 HG3 GLN 21 HG1 GLN 21 40.870 16.908 3.171 167 HE21 GLN 21 HE21 GLN 21 39.891 18.969 2.802 168 HE22 GLN 21 HE22 GLN 21 38.792 19.710 3.970 169 H ASN 22 HN ASN 22 40.059 11.910 2.249 170 HA ASN 22 HA ASN 22 39.482 10.056 3.478 171 HB2 ASN 22 HB2 ASN 22 40.773 9.927 5.681 172 HB3 ASN 22 HB1 ASN 22 41.697 10.176 4.170 173 HD21 ASN 22 HD21 ASN 22 40.992 11.492 7.322 174 HD22 ASN 22 HD22 ASN 22 41.833 13.029 7.098 175 H HIS 23 HN HIS 23 37.375 11.193 3.305 176 HA HIS 23 HA HIS 23 35.318 11.658 4.311 177 HB2 HIS 23 HB2 HIS 23 36.525 9.843 6.435 178 HB3 HIS 23 HB1 HIS 23 34.816 10.338 6.389 179 HD1 HIS 23 HD1 HIS 23 34.441 10.206 3.258 180 HD2 HIS 23 HD2 HIS 23 36.243 7.196 5.578 181 HE1 HIS 23 HE1 HIS 23 34.209 8.010 1.971 182 H HIS 24 HN HIS 24 34.287 12.285 6.627 183 HA HIS 24 HA HIS 24 35.241 14.879 7.205 184 HB2 HIS 24 HB2 HIS 24 32.974 13.980 7.783 185 HB3 HIS 24 HB1 HIS 24 33.721 13.049 9.103 186 HD1 HIS 24 HD1 HIS 24 33.227 14.229 11.246 187 HD2 HIS 24 HD2 HIS 24 34.179 16.912 8.151 188 HE1 HIS 24 HE1 HIS 24 33.285 16.574 12.262 Start of MODEL 72 1 H1 PHE 1 HT1 PHE 1 56.218 5.573 -12.514 2 H2 PHE 1 HT2 PHE 1 55.316 4.243 -13.062 3 H3 PHE 1 HT3 PHE 1 56.327 5.089 -14.133 4 HA PHE 1 HA PHE 1 56.983 2.835 -12.905 5 HB2 PHE 1 HB2 PHE 1 59.302 3.410 -13.524 6 HB3 PHE 1 HB1 PHE 1 58.159 3.898 -14.797 7 HD1 PHE 1 HD1 PHE 1 60.472 5.072 -12.172 8 HD2 PHE 1 HD2 PHE 1 57.571 6.277 -15.132 9 HE1 PHE 1 HE1 PHE 1 61.262 7.428 -11.987 10 HE2 PHE 1 HE2 PHE 1 58.361 8.634 -14.947 11 HZ PHE 1 HZ PHE 1 60.224 9.203 -13.394 12 H LEU 2 HN LEU 2 56.187 5.333 -11.063 13 HA LEU 2 HA LEU 2 58.418 5.500 -9.209 14 HB2 LEU 2 HB2 LEU 2 55.500 6.074 -8.582 15 HB3 LEU 2 HB1 LEU 2 56.948 6.785 -7.832 16 HG LEU 2 HG LEU 2 56.093 7.158 -10.740 17 HD11 LEU 2 HD11 LEU 2 56.097 9.120 -8.406 18 HD12 LEU 2 HD12 LEU 2 54.648 8.303 -9.040 19 HD13 LEU 2 HD13 LEU 2 55.547 9.445 -10.066 20 HD21 LEU 2 HD21 LEU 2 57.906 9.010 -10.549 21 HD22 LEU 2 HD22 LEU 2 58.477 7.332 -10.677 22 HD23 LEU 2 HD23 LEU 2 58.460 8.147 -9.093 23 H GLY 3 HN GLY 3 58.988 3.317 -8.804 24 HA2 GLY 3 HA1 GLY 3 57.034 1.497 -7.621 25 HA3 GLY 3 HA2 GLY 3 58.781 1.232 -7.785 26 H ALA 4 HN ALA 4 56.756 3.671 -6.090 27 HA ALA 4 HA ALA 4 57.410 2.672 -3.469 28 HB1 ALA 4 HB1 ALA 4 58.885 4.596 -2.785 29 HB2 ALA 4 HB2 ALA 4 59.060 4.994 -4.512 30 HB3 ALA 4 HB3 ALA 4 59.650 3.433 -3.893 31 H LEU 5 HN LEU 5 55.771 3.301 -2.241 32 HA LEU 5 HA LEU 5 53.955 5.381 -3.143 33 HB2 LEU 5 HB2 LEU 5 54.056 4.167 -0.359 34 HB3 LEU 5 HB1 LEU 5 52.649 4.827 -1.226 35 HG LEU 5 HG LEU 5 54.221 2.327 -2.002 36 HD11 LEU 5 HD11 LEU 5 51.358 2.628 -0.996 37 HD12 LEU 5 HD12 LEU 5 52.734 2.163 0.034 38 HD13 LEU 5 HD13 LEU 5 52.232 1.111 -1.311 39 HD21 LEU 5 HD21 LEU 5 52.175 2.083 -3.588 40 HD22 LEU 5 HD22 LEU 5 53.412 3.277 -4.040 41 HD23 LEU 5 HD23 LEU 5 51.891 3.815 -3.286 42 H ILE 6 HN ILE 6 54.979 7.346 -3.282 43 HA ILE 6 HA ILE 6 55.416 8.710 -0.652 44 HB ILE 6 HB ILE 6 57.635 9.609 -1.356 45 HG12 ILE 6 HG12 ILE 6 57.320 7.663 -3.692 46 HG13 ILE 6 HG11 ILE 6 57.378 9.436 -3.804 47 HG21 ILE 6 HG21 ILE 6 57.370 7.444 -0.014 48 HG22 ILE 6 HG22 ILE 6 58.932 7.665 -0.832 49 HG23 ILE 6 HG23 ILE 6 57.710 6.573 -1.528 50 HD11 ILE 6 HD1 ILE 6 59.611 7.511 -3.087 51 HD12 ILE 6 HD2 ILE 6 59.698 9.228 -2.619 52 HD13 ILE 6 HD3 ILE 6 59.588 8.775 -4.337 53 H LYS 7 HN LYS 7 56.867 10.912 -2.213 54 HA LYS 7 HA LYS 7 56.013 12.962 -2.920 55 HB2 LYS 7 HB2 LYS 7 54.338 11.068 -4.632 56 HB3 LYS 7 HB1 LYS 7 54.065 12.826 -4.668 57 HG2 LYS 7 HG2 LYS 7 56.447 13.178 -5.281 58 HG3 LYS 7 HG1 LYS 7 56.700 11.415 -5.274 59 HD2 LYS 7 HD2 LYS 7 55.046 11.136 -7.067 60 HD3 LYS 7 HD1 LYS 7 54.696 12.881 -7.043 61 HE2 LYS 7 HE2 LYS 7 57.008 13.385 -7.707 62 HE3 LYS 7 HE1 LYS 7 57.420 11.655 -7.659 63 HZ1 LYS 7 HZ1 LYS 7 56.958 12.213 -9.900 64 HZ2 LYS 7 HZ2 LYS 7 55.520 13.020 -9.494 65 HZ3 LYS 7 HZ3 LYS 7 55.620 11.331 -9.347 66 H GLY 8 HN GLY 8 55.383 11.282 -0.895 67 HA2 GLY 8 HA1 GLY 8 53.985 10.621 0.698 68 HA3 GLY 8 HA2 GLY 8 53.760 12.401 0.909 69 H ALA 9 HN ALA 9 52.481 9.411 -0.320 70 HA ALA 9 HA ALA 9 50.452 8.829 -1.259 71 HB1 ALA 9 HB1 ALA 9 49.846 8.889 1.064 72 HB2 ALA 9 HB2 ALA 9 48.510 9.622 0.144 73 HB3 ALA 9 HB3 ALA 9 49.658 10.657 1.028 74 H ILE 10 HN ILE 10 51.646 10.775 -2.790 75 HA ILE 10 HA ILE 10 51.261 12.632 -4.149 76 HB ILE 10 HB ILE 10 48.897 12.247 -5.418 77 HG12 ILE 10 HG12 ILE 10 49.441 9.572 -4.035 78 HG13 ILE 10 HG11 ILE 10 48.066 10.642 -3.695 79 HG21 ILE 10 HG21 ILE 10 50.018 10.701 -6.921 80 HG22 ILE 10 HG22 ILE 10 51.156 10.208 -5.646 81 HG23 ILE 10 HG23 ILE 10 51.231 11.851 -6.324 82 HD11 ILE 10 HD1 ILE 10 47.122 9.119 -5.215 83 HD12 ILE 10 HD2 ILE 10 48.617 8.983 -6.165 84 HD13 ILE 10 HD3 ILE 10 47.611 10.446 -6.295 85 H HIS 11 HN HIS 11 47.782 12.353 -3.699 86 HA HIS 11 HA HIS 11 47.435 15.103 -3.229 87 HB2 HIS 11 HB2 HIS 11 45.620 12.970 -2.071 88 HB3 HIS 11 HB1 HIS 11 45.196 14.604 -2.643 89 HD1 HIS 11 HD1 HIS 11 44.688 11.316 -3.693 90 HD2 HIS 11 HD2 HIS 11 46.427 14.618 -5.627 91 HE1 HIS 11 HE1 HIS 11 44.531 10.895 -6.208 92 H GLY 12 HN GLY 12 48.988 12.887 -1.187 93 HA2 GLY 12 HA1 GLY 12 48.020 13.834 1.359 94 HA3 GLY 12 HA2 GLY 12 49.573 13.028 1.061 95 H GLY 13 HN GLY 13 49.427 15.500 -1.083 96 HA2 GLY 13 HA1 GLY 13 50.084 17.745 0.644 97 HA3 GLY 13 HA2 GLY 13 51.523 17.004 -0.086 98 H ARG 14 HN ARG 14 49.924 16.175 -2.499 99 HA ARG 14 HA ARG 14 50.471 18.550 -4.050 100 HB2 ARG 14 HB2 ARG 14 50.626 16.253 -4.974 101 HB3 ARG 14 HB1 ARG 14 48.871 16.067 -4.795 102 HG2 ARG 14 HG2 ARG 14 49.419 16.666 -7.113 103 HG3 ARG 14 HG1 ARG 14 48.518 17.990 -6.349 104 HD2 ARG 14 HD2 ARG 14 50.408 19.387 -6.244 105 HD3 ARG 14 HD1 ARG 14 51.550 18.019 -6.271 106 HE ARG 14 HE ARG 14 50.140 18.025 -8.743 107 HH11 ARG 14 HH11 ARG 14 51.758 18.324 -10.394 108 HH12 ARG 14 HH12 ARG 14 52.780 19.716 -10.265 109 HH21 ARG 14 HH21 ARG 14 51.713 20.528 -7.066 110 HH22 ARG 14 HH22 ARG 14 52.753 20.965 -8.381 111 H PHE 15 HN PHE 15 47.504 17.083 -2.693 112 HA PHE 15 HA PHE 15 45.492 18.463 -3.976 113 HB2 PHE 15 HB2 PHE 15 45.124 16.902 -2.100 114 HB3 PHE 15 HB1 PHE 15 45.751 18.117 -0.963 115 HD1 PHE 15 HD1 PHE 15 42.922 17.148 -3.127 116 HD2 PHE 15 HD2 PHE 15 44.495 20.200 -0.511 117 HE1 PHE 15 HE1 PHE 15 40.666 18.198 -2.995 118 HE2 PHE 15 HE2 PHE 15 42.239 21.249 -0.379 119 HZ PHE 15 HZ PHE 15 40.335 20.274 -1.658 120 H ILE 16 HN ILE 16 47.461 19.771 -1.261 121 HA ILE 16 HA ILE 16 46.179 22.331 -1.243 122 HB ILE 16 HB ILE 16 49.073 21.769 -0.458 123 HG12 ILE 16 HG12 ILE 16 46.496 21.411 1.139 124 HG13 ILE 16 HG11 ILE 16 47.546 20.099 0.553 125 HG21 ILE 16 HG21 ILE 16 47.059 23.723 0.726 126 HG22 ILE 16 HG22 ILE 16 48.183 24.178 -0.575 127 HG23 ILE 16 HG23 ILE 16 48.814 23.661 1.003 128 HD11 ILE 16 HD1 ILE 16 48.119 22.174 2.694 129 HD12 ILE 16 HD2 ILE 16 49.446 21.318 1.873 130 HD13 ILE 16 HD3 ILE 16 48.234 20.403 2.800 131 H HIS 17 HN HIS 17 49.659 22.121 -2.059 132 HA HIS 17 HA HIS 17 49.202 23.148 -4.780 133 HB2 HIS 17 HB2 HIS 17 50.199 24.970 -2.558 134 HB3 HIS 17 HB1 HIS 17 50.542 25.284 -4.276 135 HD1 HIS 17 HD1 HIS 17 48.091 25.963 -1.683 136 HD2 HIS 17 HD2 HIS 17 47.901 25.268 -5.826 137 HE1 HIS 17 HE1 HIS 17 45.856 26.886 -2.509 138 H GLY 18 HN GLY 18 50.500 20.907 -3.526 139 HA2 GLY 18 HA1 GLY 18 52.537 20.035 -4.780 140 HA3 GLY 18 HA2 GLY 18 53.392 21.463 -4.144 141 H MET 19 HN MET 19 52.330 21.670 -1.690 142 HA MET 19 HA MET 19 51.943 19.730 0.037 143 HB2 MET 19 HB2 MET 19 53.585 18.147 -0.365 144 HB3 MET 19 HB1 MET 19 54.748 19.348 -0.925 145 HG2 MET 19 HG2 MET 19 55.419 19.902 1.284 146 HG3 MET 19 HG1 MET 19 53.930 19.237 1.993 147 HE1 MET 19 HE1 MET 19 56.875 18.297 -0.362 148 HE2 MET 19 HE2 MET 19 57.711 17.059 0.606 149 HE3 MET 19 HE3 MET 19 57.567 18.723 1.222 150 H ILE 20 HN ILE 20 50.990 21.465 0.891 151 HA ILE 20 HA ILE 20 50.853 23.309 2.301 152 HB ILE 20 HB ILE 20 53.763 22.868 3.122 153 HG12 ILE 20 HG12 ILE 20 51.301 21.433 4.233 154 HG13 ILE 20 HG11 ILE 20 52.540 20.677 3.212 155 HG21 ILE 20 HG21 ILE 20 51.388 23.712 4.838 156 HG22 ILE 20 HG22 ILE 20 52.316 24.892 3.890 157 HG23 ILE 20 HG23 ILE 20 53.123 23.943 5.154 158 HD11 ILE 20 HD1 ILE 20 53.186 20.127 5.432 159 HD12 ILE 20 HD2 ILE 20 52.833 21.765 6.030 160 HD13 ILE 20 HD3 ILE 20 54.250 21.483 4.988 161 H GLN 21 HN GLN 21 51.986 23.007 -0.400 162 HA GLN 21 HA GLN 21 52.471 24.641 -2.045 163 HB2 GLN 21 HB2 GLN 21 52.069 26.457 -0.133 164 HB3 GLN 21 HB1 GLN 21 53.845 26.471 -0.036 165 HG2 GLN 21 HG2 GLN 21 53.977 26.961 -2.463 166 HG3 GLN 21 HG1 GLN 21 52.200 26.952 -2.561 167 HE21 GLN 21 HE21 GLN 21 51.017 28.763 -1.677 168 HE22 GLN 21 HE22 GLN 21 51.844 30.228 -1.139 169 H ASN 22 HN ASN 22 53.720 22.413 -0.924 170 HA ASN 22 HA ASN 22 55.724 21.316 -0.735 171 HB2 ASN 22 HB2 ASN 22 57.220 21.633 -2.721 172 HB3 ASN 22 HB1 ASN 22 55.500 21.329 -3.097 173 HD21 ASN 22 HD21 ASN 22 54.210 23.104 -3.956 174 HD22 ASN 22 HD22 ASN 22 54.977 24.584 -4.544 175 H HIS 23 HN HIS 23 55.707 22.816 1.204 176 HA HIS 23 HA HIS 23 57.768 24.872 1.280 177 HB2 HIS 23 HB2 HIS 23 55.885 24.770 2.887 178 HB3 HIS 23 HB1 HIS 23 56.538 23.250 3.546 179 HD1 HIS 23 HD1 HIS 23 58.033 23.523 5.517 180 HD2 HIS 23 HD2 HIS 23 57.993 26.956 3.088 181 HE1 HIS 23 HE1 HIS 23 59.522 25.267 6.641 182 H HIS 24 HN HIS 24 59.585 23.852 0.279 183 HA HIS 24 HA HIS 24 60.785 21.439 1.075 184 HB2 HIS 24 HB2 HIS 24 62.915 22.440 0.260 185 HB3 HIS 24 HB1 HIS 24 61.559 22.729 -0.856 186 HD1 HIS 24 HD1 HIS 24 60.750 24.901 1.785 187 HD2 HIS 24 HD2 HIS 24 63.801 24.997 -1.108 188 HE1 HIS 24 HE1 HIS 24 61.518 27.329 1.568 Start of MODEL 73 1 H1 PHE 1 HT1 PHE 1 61.533 7.308 5.799 2 H2 PHE 1 HT2 PHE 1 62.286 6.853 7.252 3 H3 PHE 1 HT3 PHE 1 60.660 7.345 7.251 4 HA PHE 1 HA PHE 1 61.823 4.799 6.696 5 HB2 PHE 1 HB2 PHE 1 59.546 4.063 7.302 6 HB3 PHE 1 HB1 PHE 1 60.180 5.229 8.488 7 HD1 PHE 1 HD1 PHE 1 57.781 4.712 5.708 8 HD2 PHE 1 HD2 PHE 1 59.280 7.498 8.644 9 HE1 PHE 1 HE1 PHE 1 55.832 6.206 5.284 10 HE2 PHE 1 HE2 PHE 1 57.331 8.992 8.221 11 HZ PHE 1 HZ PHE 1 55.580 8.320 6.579 12 H LEU 2 HN LEU 2 60.495 7.271 4.776 13 HA LEU 2 HA LEU 2 58.836 5.984 2.948 14 HB2 LEU 2 HB2 LEU 2 59.386 7.697 1.390 15 HB3 LEU 2 HB1 LEU 2 59.560 8.432 2.997 16 HG LEU 2 HG LEU 2 61.787 7.438 1.161 17 HD11 LEU 2 HD11 LEU 2 62.513 9.805 1.318 18 HD12 LEU 2 HD12 LEU 2 61.112 10.162 2.358 19 HD13 LEU 2 HD13 LEU 2 60.863 9.675 0.663 20 HD21 LEU 2 HD21 LEU 2 63.277 8.363 3.057 21 HD22 LEU 2 HD22 LEU 2 62.493 6.798 3.368 22 HD23 LEU 2 HD23 LEU 2 61.830 8.285 4.090 23 H GLY 3 HN GLY 3 59.541 5.623 0.525 24 HA2 GLY 3 HA1 GLY 3 62.005 4.564 -0.215 25 HA3 GLY 3 HA2 GLY 3 61.164 3.216 0.577 26 H ALA 4 HN ALA 4 58.631 4.818 -0.454 27 HA ALA 4 HA ALA 4 58.735 4.360 -3.337 28 HB1 ALA 4 HB1 ALA 4 57.099 2.545 -3.412 29 HB2 ALA 4 HB2 ALA 4 57.060 2.480 -1.634 30 HB3 ALA 4 HB3 ALA 4 58.543 2.029 -2.510 31 H LEU 5 HN LEU 5 56.000 3.982 -3.795 32 HA LEU 5 HA LEU 5 54.043 5.212 -3.943 33 HB2 LEU 5 HB2 LEU 5 54.629 6.257 -1.152 34 HB3 LEU 5 HB1 LEU 5 53.049 6.021 -1.933 35 HG LEU 5 HG LEU 5 55.009 3.824 -1.132 36 HD11 LEU 5 HD11 LEU 5 53.702 4.993 0.706 37 HD12 LEU 5 HD12 LEU 5 53.370 3.250 0.553 38 HD13 LEU 5 HD13 LEU 5 52.212 4.438 -0.092 39 HD21 LEU 5 HD21 LEU 5 53.899 3.029 -3.090 40 HD22 LEU 5 HD22 LEU 5 52.358 3.796 -2.632 41 HD23 LEU 5 HD23 LEU 5 52.944 2.369 -1.744 42 H ILE 6 HN ILE 6 55.858 7.430 -1.787 43 HA ILE 6 HA ILE 6 56.220 9.730 -2.004 44 HB ILE 6 HB ILE 6 56.992 9.418 -4.934 45 HG12 ILE 6 HG12 ILE 6 57.646 7.199 -3.958 46 HG13 ILE 6 HG11 ILE 6 59.036 8.179 -4.451 47 HG21 ILE 6 HG21 ILE 6 57.542 11.488 -3.768 48 HG22 ILE 6 HG22 ILE 6 59.048 10.600 -4.085 49 HG23 ILE 6 HG23 ILE 6 58.338 10.595 -2.455 50 HD11 ILE 6 HD1 ILE 6 59.656 8.665 -2.226 51 HD12 ILE 6 HD2 ILE 6 59.108 6.978 -2.121 52 HD13 ILE 6 HD3 ILE 6 58.039 8.290 -1.584 53 H LYS 7 HN LYS 7 56.099 11.154 -4.691 54 HA LYS 7 HA LYS 7 54.473 12.648 -5.435 55 HB2 LYS 7 HB2 LYS 7 52.880 10.053 -5.352 56 HB3 LYS 7 HB1 LYS 7 52.064 11.590 -5.719 57 HG2 LYS 7 HG2 LYS 7 52.784 10.386 -7.785 58 HG3 LYS 7 HG1 LYS 7 53.577 11.971 -7.621 59 HD2 LYS 7 HD2 LYS 7 55.625 10.966 -6.850 60 HD3 LYS 7 HD1 LYS 7 54.847 9.378 -6.650 61 HE2 LYS 7 HE2 LYS 7 56.218 9.502 -8.733 62 HE3 LYS 7 HE1 LYS 7 54.496 9.214 -9.078 63 HZ1 LYS 7 HZ1 LYS 7 54.195 11.393 -9.774 64 HZ2 LYS 7 HZ2 LYS 7 55.725 11.011 -10.405 65 HZ3 LYS 7 HZ3 LYS 7 55.595 11.961 -9.002 66 H GLY 8 HN GLY 8 55.295 11.892 -2.968 67 HA2 GLY 8 HA1 GLY 8 55.041 11.881 -0.775 68 HA3 GLY 8 HA2 GLY 8 54.377 13.536 -1.053 69 H ALA 9 HN ALA 9 53.663 10.141 -0.532 70 HA ALA 9 HA ALA 9 51.795 9.023 0.214 71 HB1 ALA 9 HB1 ALA 9 50.532 10.131 2.000 72 HB2 ALA 9 HB2 ALA 9 51.237 11.699 1.539 73 HB3 ALA 9 HB3 ALA 9 52.278 10.412 2.193 74 H ILE 10 HN ILE 10 51.321 9.470 -2.298 75 HA ILE 10 HA ILE 10 49.646 9.810 -3.864 76 HB ILE 10 HB ILE 10 48.162 9.325 -1.284 77 HG12 ILE 10 HG12 ILE 10 47.633 8.175 -4.050 78 HG13 ILE 10 HG11 ILE 10 48.983 7.609 -3.043 79 HG21 ILE 10 HG21 ILE 10 46.803 11.183 -2.104 80 HG22 ILE 10 HG22 ILE 10 45.929 9.657 -2.313 81 HG23 ILE 10 HG23 ILE 10 46.698 10.429 -3.713 82 HD11 ILE 10 HD1 ILE 10 47.256 6.095 -2.504 83 HD12 ILE 10 HD2 ILE 10 46.001 7.348 -2.544 84 HD13 ILE 10 HD3 ILE 10 47.143 7.278 -1.183 85 H HIS 11 HN HIS 11 50.869 11.997 -1.937 86 HA HIS 11 HA HIS 11 51.110 14.278 -2.201 87 HB2 HIS 11 HB2 HIS 11 50.197 13.888 -4.601 88 HB3 HIS 11 HB1 HIS 11 48.630 14.426 -3.957 89 HD1 HIS 11 HD1 HIS 11 50.320 16.427 -1.871 90 HD2 HIS 11 HD2 HIS 11 50.375 16.373 -6.074 91 HE1 HIS 11 HE1 HIS 11 51.030 18.754 -2.654 92 H GLY 12 HN GLY 12 49.373 12.710 -0.364 93 HA2 GLY 12 HA1 GLY 12 48.082 13.236 1.495 94 HA3 GLY 12 HA2 GLY 12 48.350 14.954 1.130 95 H GLY 13 HN GLY 13 46.862 12.471 -0.911 96 HA2 GLY 13 HA1 GLY 13 44.662 12.214 -1.618 97 HA3 GLY 13 HA2 GLY 13 44.146 13.369 -0.371 98 H ARG 14 HN ARG 14 46.324 13.548 -3.229 99 HA ARG 14 HA ARG 14 44.499 15.561 -4.458 100 HB2 ARG 14 HB2 ARG 14 47.184 16.146 -3.256 101 HB3 ARG 14 HB1 ARG 14 46.893 16.863 -4.853 102 HG2 ARG 14 HG2 ARG 14 44.804 17.135 -2.659 103 HG3 ARG 14 HG1 ARG 14 46.217 18.212 -2.685 104 HD2 ARG 14 HD2 ARG 14 45.637 19.103 -4.819 105 HD3 ARG 14 HD1 ARG 14 44.463 17.804 -5.138 106 HE ARG 14 HE ARG 14 42.878 19.023 -3.877 107 HH11 ARG 14 HH11 ARG 14 43.812 19.372 -1.273 108 HH12 ARG 14 HH12 ARG 14 44.321 21.024 -1.158 109 HH21 ARG 14 HH21 ARG 14 44.519 21.479 -4.589 110 HH22 ARG 14 HH22 ARG 14 44.722 22.216 -3.036 111 H PHE 15 HN PHE 15 46.775 13.005 -4.626 112 HA PHE 15 HA PHE 15 47.537 13.479 -7.435 113 HB2 PHE 15 HB2 PHE 15 49.054 12.286 -5.884 114 HB3 PHE 15 HB1 PHE 15 47.841 11.004 -5.684 115 HD1 PHE 15 HD1 PHE 15 49.562 12.890 -8.480 116 HD2 PHE 15 HD2 PHE 15 48.091 9.089 -7.044 117 HE1 PHE 15 HE1 PHE 15 50.426 11.777 -10.531 118 HE2 PHE 15 HE2 PHE 15 48.956 7.982 -9.098 119 HZ PHE 15 HZ PHE 15 50.139 9.321 -10.832 120 H ILE 16 HN ILE 16 45.191 11.598 -5.598 121 HA ILE 16 HA ILE 16 43.663 11.099 -8.112 122 HB ILE 16 HB ILE 16 43.169 8.720 -7.202 123 HG12 ILE 16 HG12 ILE 16 45.791 9.292 -5.737 124 HG13 ILE 16 HG11 ILE 16 44.198 9.149 -4.957 125 HG21 ILE 16 HG21 ILE 16 46.012 9.273 -8.158 126 HG22 ILE 16 HG22 ILE 16 44.585 9.244 -9.219 127 HG23 ILE 16 HG23 ILE 16 45.089 7.767 -8.368 128 HD11 ILE 16 HD1 ILE 16 44.099 6.803 -6.173 129 HD12 ILE 16 HD2 ILE 16 45.077 6.977 -4.698 130 HD13 ILE 16 HD3 ILE 16 45.865 6.995 -6.291 131 H HIS 17 HN HIS 17 43.029 13.063 -6.537 132 HA HIS 17 HA HIS 17 40.596 12.079 -5.099 133 HB2 HIS 17 HB2 HIS 17 42.429 12.444 -3.408 134 HB3 HIS 17 HB1 HIS 17 42.526 14.137 -3.950 135 HD1 HIS 17 HD1 HIS 17 40.874 15.773 -2.981 136 HD2 HIS 17 HD2 HIS 17 39.836 11.773 -2.212 137 HE1 HIS 17 HE1 HIS 17 38.849 15.799 -1.425 138 H GLY 18 HN GLY 18 42.503 14.567 -6.707 139 HA2 GLY 18 HA1 GLY 18 40.819 16.790 -6.649 140 HA3 GLY 18 HA2 GLY 18 41.768 16.303 -8.074 141 H MET 19 HN MET 19 40.443 13.760 -8.255 142 HA MET 19 HA MET 19 37.845 13.453 -8.602 143 HB2 MET 19 HB2 MET 19 38.640 15.626 -10.478 144 HB3 MET 19 HB1 MET 19 37.524 14.401 -11.098 145 HG2 MET 19 HG2 MET 19 35.763 15.108 -9.773 146 HG3 MET 19 HG1 MET 19 36.804 15.546 -8.406 147 HE1 MET 19 HE1 MET 19 34.255 16.978 -10.171 148 HE2 MET 19 HE2 MET 19 34.639 18.670 -9.772 149 HE3 MET 19 HE3 MET 19 34.738 17.412 -8.515 150 H ILE 20 HN ILE 20 40.736 12.684 -8.882 151 HA ILE 20 HA ILE 20 41.877 10.982 -9.941 152 HB ILE 20 HB ILE 20 39.046 10.067 -10.689 153 HG12 ILE 20 HG12 ILE 20 39.612 8.219 -9.112 154 HG13 ILE 20 HG11 ILE 20 41.188 8.983 -8.803 155 HG21 ILE 20 HG21 ILE 20 40.290 7.902 -11.353 156 HG22 ILE 20 HG22 ILE 20 41.757 8.907 -11.426 157 HG23 ILE 20 HG23 ILE 20 40.379 9.261 -12.495 158 HD11 ILE 20 HD1 ILE 20 39.222 9.451 -7.135 159 HD12 ILE 20 HD2 ILE 20 38.613 10.546 -8.400 160 HD13 ILE 20 HD3 ILE 20 40.217 10.821 -7.675 161 H GLN 21 HN GLN 21 39.920 13.376 -11.197 162 HA GLN 21 HA GLN 21 41.222 13.082 -13.960 163 HB2 GLN 21 HB2 GLN 21 38.513 14.257 -13.230 164 HB3 GLN 21 HB1 GLN 21 39.257 14.314 -14.844 165 HG2 GLN 21 HG2 GLN 21 39.270 11.883 -14.989 166 HG3 GLN 21 HG1 GLN 21 38.702 11.740 -13.308 167 HE21 GLN 21 HE21 GLN 21 37.601 13.956 -15.964 168 HE22 GLN 21 HE22 GLN 21 35.923 13.401 -15.915 169 H ASN 22 HN ASN 22 40.976 14.989 -11.073 170 HA ASN 22 HA ASN 22 42.070 17.374 -12.585 171 HB2 ASN 22 HB2 ASN 22 39.861 17.723 -11.417 172 HB3 ASN 22 HB1 ASN 22 40.681 17.365 -9.880 173 HD21 ASN 22 HD21 ASN 22 40.352 19.571 -9.085 174 HD22 ASN 22 HD22 ASN 22 41.292 20.910 -9.756 175 H HIS 23 HN HIS 23 42.381 15.115 -9.898 176 HA HIS 23 HA HIS 23 44.056 14.897 -8.281 177 HB2 HIS 23 HB2 HIS 23 46.295 14.627 -9.268 178 HB3 HIS 23 HB1 HIS 23 45.052 13.876 -10.298 179 HD1 HIS 23 HD1 HIS 23 47.301 16.943 -10.064 180 HD2 HIS 23 HD2 HIS 23 44.839 14.991 -12.859 181 HE1 HIS 23 HE1 HIS 23 47.649 18.092 -12.318 182 H HIS 24 HN HIS 24 43.037 17.681 -8.706 183 HA HIS 24 HA HIS 24 45.126 19.019 -7.123 184 HB2 HIS 24 HB2 HIS 24 45.871 19.398 -9.487 185 HB3 HIS 24 HB1 HIS 24 44.316 20.201 -9.808 186 HD1 HIS 24 HD1 HIS 24 47.700 20.954 -8.840 187 HD2 HIS 24 HD2 HIS 24 43.916 22.454 -7.784 188 HE1 HIS 24 HE1 HIS 24 48.063 23.238 -7.752 Start of MODEL 74 1 H1 PHE 1 HT1 PHE 1 62.710 1.768 2.781 2 H2 PHE 1 HT2 PHE 1 61.470 2.277 3.825 3 H3 PHE 1 HT3 PHE 1 61.904 3.229 2.486 4 HA PHE 1 HA PHE 1 60.812 1.983 1.019 5 HB2 PHE 1 HB2 PHE 1 61.280 -0.351 2.916 6 HB3 PHE 1 HB1 PHE 1 60.410 -0.460 1.366 7 HD1 PHE 1 HD1 PHE 1 61.597 -0.052 -0.782 8 HD2 PHE 1 HD2 PHE 1 63.696 -0.103 2.989 9 HE1 PHE 1 HE1 PHE 1 63.764 -0.272 -1.992 10 HE2 PHE 1 HE2 PHE 1 65.864 -0.323 1.779 11 HZ PHE 1 HZ PHE 1 65.903 -0.320 -0.712 12 H LEU 2 HN LEU 2 59.400 3.667 2.148 13 HA LEU 2 HA LEU 2 57.461 2.673 4.089 14 HB2 LEU 2 HB2 LEU 2 57.096 5.121 2.329 15 HB3 LEU 2 HB1 LEU 2 56.513 4.840 3.987 16 HG LEU 2 HG LEU 2 59.413 5.218 3.118 17 HD11 LEU 2 HD11 LEU 2 58.034 7.285 3.202 18 HD12 LEU 2 HD12 LEU 2 59.260 7.265 4.492 19 HD13 LEU 2 HD13 LEU 2 57.560 6.893 4.871 20 HD21 LEU 2 HD21 LEU 2 59.444 3.639 4.927 21 HD22 LEU 2 HD22 LEU 2 58.147 4.494 5.795 22 HD23 LEU 2 HD23 LEU 2 59.768 5.220 5.672 23 H GLY 3 HN GLY 3 55.131 2.600 3.719 24 HA2 GLY 3 HA1 GLY 3 54.489 0.893 1.513 25 HA3 GLY 3 HA2 GLY 3 53.327 1.675 2.603 26 H ALA 4 HN ALA 4 54.368 4.380 1.953 27 HA ALA 4 HA ALA 4 52.659 4.825 -0.389 28 HB1 ALA 4 HB1 ALA 4 52.621 6.421 1.434 29 HB2 ALA 4 HB2 ALA 4 53.289 7.214 -0.013 30 HB3 ALA 4 HB3 ALA 4 54.375 6.682 1.293 31 H LEU 5 HN LEU 5 53.236 5.461 -2.426 32 HA LEU 5 HA LEU 5 56.048 4.870 -3.194 33 HB2 LEU 5 HB2 LEU 5 53.960 3.997 -4.420 34 HB3 LEU 5 HB1 LEU 5 53.743 5.659 -5.006 35 HG LEU 5 HG LEU 5 56.295 5.444 -5.739 36 HD11 LEU 5 HD11 LEU 5 56.793 3.283 -4.719 37 HD12 LEU 5 HD12 LEU 5 56.798 3.084 -6.485 38 HD13 LEU 5 HD13 LEU 5 55.403 2.529 -5.532 39 HD21 LEU 5 HD21 LEU 5 55.568 4.536 -7.934 40 HD22 LEU 5 HD22 LEU 5 54.395 5.716 -7.301 41 HD23 LEU 5 HD23 LEU 5 54.049 3.973 -7.195 42 H ILE 6 HN ILE 6 56.121 7.078 -1.662 43 HA ILE 6 HA ILE 6 56.625 9.374 -1.619 44 HB ILE 6 HB ILE 6 57.629 9.140 -4.499 45 HG12 ILE 6 HG12 ILE 6 58.860 7.771 -2.062 46 HG13 ILE 6 HG11 ILE 6 58.221 6.968 -3.515 47 HG21 ILE 6 HG21 ILE 6 59.317 10.632 -3.750 48 HG22 ILE 6 HG22 ILE 6 59.073 10.204 -2.039 49 HG23 ILE 6 HG23 ILE 6 57.865 11.191 -2.890 50 HD11 ILE 6 HD1 ILE 6 59.925 8.370 -4.850 51 HD12 ILE 6 HD2 ILE 6 60.585 7.061 -3.840 52 HD13 ILE 6 HD3 ILE 6 60.674 8.748 -3.280 53 H LYS 7 HN LYS 7 56.826 10.883 -4.346 54 HA LYS 7 HA LYS 7 55.386 12.536 -5.151 55 HB2 LYS 7 HB2 LYS 7 53.156 10.457 -4.885 56 HB3 LYS 7 HB1 LYS 7 53.156 11.896 -5.934 57 HG2 LYS 7 HG2 LYS 7 55.249 10.862 -7.062 58 HG3 LYS 7 HG1 LYS 7 54.814 9.359 -6.214 59 HD2 LYS 7 HD2 LYS 7 53.067 10.909 -8.179 60 HD3 LYS 7 HD1 LYS 7 53.844 9.333 -8.465 61 HE2 LYS 7 HE2 LYS 7 51.560 9.998 -6.576 62 HE3 LYS 7 HE1 LYS 7 51.604 8.790 -7.883 63 HZ1 LYS 7 HZ1 LYS 7 51.834 7.823 -5.637 64 HZ2 LYS 7 HZ2 LYS 7 53.286 8.678 -5.429 65 HZ3 LYS 7 HZ3 LYS 7 53.164 7.489 -6.635 66 H GLY 8 HN GLY 8 56.080 11.723 -2.665 67 HA2 GLY 8 HA1 GLY 8 55.718 11.694 -0.470 68 HA3 GLY 8 HA2 GLY 8 55.334 13.436 -0.760 69 H ALA 9 HN ALA 9 54.102 10.195 -0.267 70 HA ALA 9 HA ALA 9 52.056 9.402 0.418 71 HB1 ALA 9 HB1 ALA 9 52.622 11.006 2.296 72 HB2 ALA 9 HB2 ALA 9 50.888 10.661 2.086 73 HB3 ALA 9 HB3 ALA 9 51.570 12.195 1.494 74 H ILE 10 HN ILE 10 51.897 9.716 -2.117 75 HA ILE 10 HA ILE 10 50.678 10.492 -3.964 76 HB ILE 10 HB ILE 10 48.160 9.946 -3.627 77 HG12 ILE 10 HG12 ILE 10 49.248 8.912 -0.962 78 HG13 ILE 10 HG11 ILE 10 48.217 10.349 -1.129 79 HG21 ILE 10 HG21 ILE 10 50.165 7.779 -2.857 80 HG22 ILE 10 HG22 ILE 10 49.920 8.363 -4.522 81 HG23 ILE 10 HG23 ILE 10 48.595 7.553 -3.661 82 HD11 ILE 10 HD1 ILE 10 46.656 8.658 -0.622 83 HD12 ILE 10 HD2 ILE 10 47.514 7.436 -1.584 84 HD13 ILE 10 HD3 ILE 10 46.579 8.714 -2.397 85 H HIS 11 HN HIS 11 51.280 12.730 -3.835 86 HA HIS 11 HA HIS 11 50.817 15.006 -3.668 87 HB2 HIS 11 HB2 HIS 11 49.284 14.170 -5.504 88 HB3 HIS 11 HB1 HIS 11 47.978 14.115 -4.298 89 HD1 HIS 11 HD1 HIS 11 50.126 16.858 -3.377 90 HD2 HIS 11 HD2 HIS 11 47.169 16.324 -6.317 91 HE1 HIS 11 HE1 HIS 11 49.326 19.180 -4.083 92 H GLY 12 HN GLY 12 50.227 13.187 -1.233 93 HA2 GLY 12 HA1 GLY 12 49.709 13.729 0.972 94 HA3 GLY 12 HA2 GLY 12 49.239 15.356 0.446 95 H GLY 13 HN GLY 13 48.135 11.957 0.091 96 HA2 GLY 13 HA1 GLY 13 45.993 11.084 0.103 97 HA3 GLY 13 HA2 GLY 13 45.696 12.227 1.423 98 H ARG 14 HN ARG 14 46.612 13.775 -1.470 99 HA ARG 14 HA ARG 14 43.862 14.814 -1.784 100 HB2 ARG 14 HB2 ARG 14 46.214 16.063 -1.964 101 HB3 ARG 14 HB1 ARG 14 46.149 15.509 -3.651 102 HG2 ARG 14 HG2 ARG 14 44.081 17.225 -2.198 103 HG3 ARG 14 HG1 ARG 14 45.159 17.737 -3.516 104 HD2 ARG 14 HD2 ARG 14 44.038 15.859 -4.916 105 HD3 ARG 14 HD1 ARG 14 42.794 15.839 -3.641 106 HE ARG 14 HE ARG 14 42.935 17.770 -5.719 107 HH11 ARG 14 HH11 ARG 14 40.513 17.629 -4.129 108 HH12 ARG 14 HH12 ARG 14 40.565 19.065 -3.161 109 HH21 ARG 14 HH21 ARG 14 43.950 19.607 -3.676 110 HH22 ARG 14 HH22 ARG 14 42.512 20.184 -2.905 111 H PHE 15 HN PHE 15 46.307 13.212 -3.862 112 HA PHE 15 HA PHE 15 44.541 12.811 -6.087 113 HB2 PHE 15 HB2 PHE 15 47.079 12.689 -6.082 114 HB3 PHE 15 HB1 PHE 15 46.930 11.092 -5.313 115 HD1 PHE 15 HD1 PHE 15 45.496 13.019 -8.236 116 HD2 PHE 15 HD2 PHE 15 46.878 9.209 -6.739 117 HE1 PHE 15 HE1 PHE 15 45.122 12.000 -10.477 118 HE2 PHE 15 HE2 PHE 15 46.502 8.196 -8.981 119 HZ PHE 15 HZ PHE 15 45.608 9.585 -10.845 120 H ILE 16 HN ILE 16 42.636 11.801 -5.843 121 HA ILE 16 HA ILE 16 41.081 10.287 -4.929 122 HB ILE 16 HB ILE 16 41.676 7.869 -5.722 123 HG12 ILE 16 HG12 ILE 16 43.946 9.430 -7.042 124 HG13 ILE 16 HG11 ILE 16 44.165 8.282 -5.703 125 HG21 ILE 16 HG21 ILE 16 40.292 9.574 -6.997 126 HG22 ILE 16 HG22 ILE 16 41.176 8.432 -8.032 127 HG23 ILE 16 HG23 ILE 16 41.787 10.090 -7.812 128 HD11 ILE 16 HD1 ILE 16 43.347 7.729 -8.569 129 HD12 ILE 16 HD2 ILE 16 42.896 6.588 -7.279 130 HD13 ILE 16 HD3 ILE 16 44.610 6.947 -7.594 131 H HIS 17 HN HIS 17 41.485 10.776 -2.712 132 HA HIS 17 HA HIS 17 41.971 8.424 -1.136 133 HB2 HIS 17 HB2 HIS 17 44.326 8.799 -1.647 134 HB3 HIS 17 HB1 HIS 17 44.180 10.512 -1.203 135 HD1 HIS 17 HD1 HIS 17 43.898 11.095 1.350 136 HD2 HIS 17 HD2 HIS 17 44.610 7.033 0.529 137 HE1 HIS 17 HE1 HIS 17 44.462 9.958 3.568 138 H GLY 18 HN GLY 18 42.227 12.020 -1.225 139 HA2 GLY 18 HA1 GLY 18 41.401 12.551 1.434 140 HA3 GLY 18 HA2 GLY 18 41.048 13.594 0.029 141 H MET 19 HN MET 19 39.554 12.253 -1.537 142 HA MET 19 HA MET 19 37.632 10.561 -0.746 143 HB2 MET 19 HB2 MET 19 37.096 13.046 0.648 144 HB3 MET 19 HB1 MET 19 35.778 12.735 -0.498 145 HG2 MET 19 HG2 MET 19 35.434 10.500 0.471 146 HG3 MET 19 HG1 MET 19 36.811 10.743 1.570 147 HE1 MET 19 HE1 MET 19 32.578 12.448 1.788 148 HE2 MET 19 HE2 MET 19 33.163 10.967 0.993 149 HE3 MET 19 HE3 MET 19 33.548 12.561 0.300 150 H ILE 20 HN ILE 20 38.258 10.071 -2.811 151 HA ILE 20 HA ILE 20 37.877 10.045 -5.100 152 HB ILE 20 HB ILE 20 35.564 12.006 -4.760 153 HG12 ILE 20 HG12 ILE 20 35.596 9.006 -4.179 154 HG13 ILE 20 HG11 ILE 20 35.193 10.306 -3.039 155 HG21 ILE 20 HG21 ILE 20 35.792 9.576 -6.585 156 HG22 ILE 20 HG22 ILE 20 36.448 11.159 -7.051 157 HG23 ILE 20 HG23 ILE 20 34.709 10.979 -6.742 158 HD11 ILE 20 HD1 ILE 20 33.084 9.464 -3.738 159 HD12 ILE 20 HD2 ILE 20 33.599 9.343 -5.435 160 HD13 ILE 20 HD3 ILE 20 33.308 10.941 -4.705 161 H GLN 21 HN GLN 21 39.155 12.018 -3.296 162 HA GLN 21 HA GLN 21 40.841 13.611 -3.881 163 HB2 GLN 21 HB2 GLN 21 40.178 13.318 -6.420 164 HB3 GLN 21 HB1 GLN 21 39.125 14.725 -6.140 165 HG2 GLN 21 HG2 GLN 21 41.094 16.010 -5.310 166 HG3 GLN 21 HG1 GLN 21 42.136 14.612 -5.668 167 HE21 GLN 21 HE21 GLN 21 41.394 17.552 -6.924 168 HE22 GLN 21 HE22 GLN 21 41.491 17.182 -8.649 169 H ASN 22 HN ASN 22 38.566 13.385 -2.244 170 HA ASN 22 HA ASN 22 37.076 14.622 -1.002 171 HB2 ASN 22 HB2 ASN 22 39.145 15.271 -0.003 172 HB3 ASN 22 HB1 ASN 22 39.402 16.541 -1.236 173 HD21 ASN 22 HD21 ASN 22 39.381 18.275 0.384 174 HD22 ASN 22 HD22 ASN 22 37.873 18.744 1.176 175 H HIS 23 HN HIS 23 36.284 14.512 -3.505 176 HA HIS 23 HA HIS 23 35.781 17.187 -4.608 177 HB2 HIS 23 HB2 HIS 23 35.900 15.080 -5.974 178 HB3 HIS 23 HB1 HIS 23 34.367 14.566 -5.230 179 HD1 HIS 23 HD1 HIS 23 35.832 17.382 -7.372 180 HD2 HIS 23 HD2 HIS 23 32.109 15.675 -6.419 181 HE1 HIS 23 HE1 HIS 23 34.078 18.509 -8.848 182 H HIS 24 HN HIS 24 33.777 18.272 -4.757 183 HA HIS 24 HA HIS 24 31.845 19.139 -3.810 184 HB2 HIS 24 HB2 HIS 24 30.976 16.965 -4.750 185 HB3 HIS 24 HB1 HIS 24 31.205 16.240 -3.141 186 HD1 HIS 24 HD1 HIS 24 29.823 17.366 -1.119 187 HD2 HIS 24 HD2 HIS 24 28.605 18.394 -5.011 188 HE1 HIS 24 HE1 HIS 24 27.511 18.436 -0.936 Start of MODEL 75 1 H1 PHE 1 HT1 PHE 1 63.426 3.153 1.406 2 H2 PHE 1 HT2 PHE 1 63.890 1.790 0.503 3 H3 PHE 1 HT3 PHE 1 64.355 1.936 2.131 4 HA PHE 1 HA PHE 1 62.399 0.424 1.461 5 HB2 PHE 1 HB2 PHE 1 62.418 2.384 3.790 6 HB3 PHE 1 HB1 PHE 1 61.333 0.978 3.677 7 HD1 PHE 1 HD1 PHE 1 64.864 2.080 4.015 8 HD2 PHE 1 HD2 PHE 1 62.178 -1.298 3.917 9 HE1 PHE 1 HE1 PHE 1 66.679 0.612 4.887 10 HE2 PHE 1 HE2 PHE 1 63.994 -2.766 4.789 11 HZ PHE 1 HZ PHE 1 66.263 -1.824 5.208 12 H LEU 2 HN LEU 2 61.979 2.194 -0.551 13 HA LEU 2 HA LEU 2 59.117 2.681 -0.284 14 HB2 LEU 2 HB2 LEU 2 59.514 5.219 -0.966 15 HB3 LEU 2 HB1 LEU 2 59.536 4.738 0.746 16 HG LEU 2 HG LEU 2 61.979 4.626 0.738 17 HD11 LEU 2 HD11 LEU 2 62.529 3.851 -1.451 18 HD12 LEU 2 HD12 LEU 2 63.162 5.510 -1.390 19 HD13 LEU 2 HD13 LEU 2 61.633 5.174 -2.236 20 HD21 LEU 2 HD21 LEU 2 60.928 7.169 -0.583 21 HD22 LEU 2 HD22 LEU 2 62.464 7.027 0.306 22 HD23 LEU 2 HD23 LEU 2 60.917 6.817 1.162 23 H GLY 3 HN GLY 3 58.351 3.977 -2.332 24 HA2 GLY 3 HA1 GLY 3 59.685 4.253 -4.699 25 HA3 GLY 3 HA2 GLY 3 59.468 2.492 -4.615 26 H ALA 4 HN ALA 4 57.046 4.324 -3.012 27 HA ALA 4 HA ALA 4 55.333 4.751 -5.329 28 HB1 ALA 4 HB1 ALA 4 54.627 2.452 -3.471 29 HB2 ALA 4 HB2 ALA 4 55.240 2.269 -5.132 30 HB3 ALA 4 HB3 ALA 4 53.665 3.048 -4.845 31 H LEU 5 HN LEU 5 55.908 4.534 -1.876 32 HA LEU 5 HA LEU 5 53.402 5.856 -1.130 33 HB2 LEU 5 HB2 LEU 5 55.973 5.146 0.322 34 HB3 LEU 5 HB1 LEU 5 54.712 6.128 1.103 35 HG LEU 5 HG LEU 5 53.063 4.355 0.792 36 HD11 LEU 5 HD11 LEU 5 53.634 3.369 -1.301 37 HD12 LEU 5 HD12 LEU 5 53.955 2.091 -0.109 38 HD13 LEU 5 HD13 LEU 5 55.306 3.034 -0.788 39 HD21 LEU 5 HD21 LEU 5 55.696 3.223 1.845 40 HD22 LEU 5 HD22 LEU 5 54.065 2.630 2.243 41 HD23 LEU 5 HD23 LEU 5 54.576 4.250 2.772 42 H ILE 6 HN ILE 6 56.272 6.870 -2.594 43 HA ILE 6 HA ILE 6 56.407 9.539 -1.298 44 HB ILE 6 HB ILE 6 58.097 10.026 -3.049 45 HG12 ILE 6 HG12 ILE 6 57.212 7.337 -4.197 46 HG13 ILE 6 HG11 ILE 6 57.049 8.927 -4.974 47 HG21 ILE 6 HG21 ILE 6 59.753 8.433 -2.366 48 HG22 ILE 6 HG22 ILE 6 58.530 7.167 -2.101 49 HG23 ILE 6 HG23 ILE 6 58.617 8.566 -1.004 50 HD11 ILE 6 HD1 ILE 6 59.640 9.085 -4.746 51 HD12 ILE 6 HD2 ILE 6 58.979 7.992 -5.987 52 HD13 ILE 6 HD3 ILE 6 59.576 7.330 -4.448 53 H LYS 7 HN LYS 7 56.868 10.950 -3.905 54 HA LYS 7 HA LYS 7 55.495 12.482 -5.001 55 HB2 LYS 7 HB2 LYS 7 54.664 10.288 -6.182 56 HB3 LYS 7 HB1 LYS 7 53.306 10.350 -5.040 57 HG2 LYS 7 HG2 LYS 7 52.425 11.507 -6.893 58 HG3 LYS 7 HG1 LYS 7 53.029 12.840 -5.884 59 HD2 LYS 7 HD2 LYS 7 55.049 13.025 -7.235 60 HD3 LYS 7 HD1 LYS 7 54.634 11.554 -8.144 61 HE2 LYS 7 HE2 LYS 7 54.079 13.663 -9.385 62 HE3 LYS 7 HE1 LYS 7 52.657 12.634 -9.084 63 HZ1 LYS 7 HZ1 LYS 7 52.696 15.212 -8.519 64 HZ2 LYS 7 HZ2 LYS 7 53.316 14.627 -7.049 65 HZ3 LYS 7 HZ3 LYS 7 51.800 14.099 -7.606 66 H GLY 8 HN GLY 8 55.819 11.747 -2.416 67 HA2 GLY 8 HA1 GLY 8 55.135 11.761 -0.309 68 HA3 GLY 8 HA2 GLY 8 54.630 13.447 -0.713 69 H ALA 9 HN ALA 9 53.663 10.099 -0.317 70 HA ALA 9 HA ALA 9 51.622 9.117 0.097 71 HB1 ALA 9 HB1 ALA 9 50.028 10.332 1.419 72 HB2 ALA 9 HB2 ALA 9 50.672 11.895 0.864 73 HB3 ALA 9 HB3 ALA 9 51.650 10.856 1.929 74 H ILE 10 HN ILE 10 52.067 9.576 -2.509 75 HA ILE 10 HA ILE 10 50.969 9.586 -4.520 76 HB ILE 10 HB ILE 10 48.730 9.206 -2.619 77 HG12 ILE 10 HG12 ILE 10 47.877 7.761 -4.527 78 HG13 ILE 10 HG11 ILE 10 49.285 8.289 -5.473 79 HG21 ILE 10 HG21 ILE 10 48.067 10.661 -5.214 80 HG22 ILE 10 HG22 ILE 10 47.784 11.261 -3.561 81 HG23 ILE 10 HG23 ILE 10 46.884 9.852 -4.161 82 HD11 ILE 10 HD1 ILE 10 50.754 7.458 -3.566 83 HD12 ILE 10 HD2 ILE 10 49.851 6.182 -4.415 84 HD13 ILE 10 HD3 ILE 10 49.289 6.767 -2.832 85 H HIS 11 HN HIS 11 49.656 12.114 -2.332 86 HA HIS 11 HA HIS 11 50.731 14.218 -3.977 87 HB2 HIS 11 HB2 HIS 11 48.850 13.511 -5.459 88 HB3 HIS 11 HB1 HIS 11 47.714 13.829 -4.126 89 HD1 HIS 11 HD1 HIS 11 50.412 15.669 -6.157 90 HD2 HIS 11 HD2 HIS 11 46.927 16.486 -3.949 91 HE1 HIS 11 HE1 HIS 11 49.873 18.147 -6.474 92 H GLY 12 HN GLY 12 49.645 12.926 -1.204 93 HA2 GLY 12 HA1 GLY 12 50.064 14.358 0.804 94 HA3 GLY 12 HA2 GLY 12 49.057 15.609 0.047 95 H GLY 13 HN GLY 13 48.124 12.303 -0.411 96 HA2 GLY 13 HA1 GLY 13 46.301 11.113 0.365 97 HA3 GLY 13 HA2 GLY 13 46.577 11.887 1.938 98 H ARG 14 HN ARG 14 45.188 12.481 -1.303 99 HA ARG 14 HA ARG 14 42.704 13.417 -0.172 100 HB2 ARG 14 HB2 ARG 14 44.006 15.413 0.381 101 HB3 ARG 14 HB1 ARG 14 44.619 15.512 -1.283 102 HG2 ARG 14 HG2 ARG 14 42.749 17.116 -0.837 103 HG3 ARG 14 HG1 ARG 14 42.367 15.969 -2.136 104 HD2 ARG 14 HD2 ARG 14 40.569 16.426 -0.272 105 HD3 ARG 14 HD1 ARG 14 40.857 14.749 -0.786 106 HE ARG 14 HE ARG 14 42.553 15.506 1.456 107 HH11 ARG 14 HH11 ARG 14 42.193 13.291 2.513 108 HH12 ARG 14 HH12 ARG 14 40.589 13.081 3.133 109 HH21 ARG 14 HH21 ARG 14 39.273 15.768 1.381 110 HH22 ARG 14 HH22 ARG 14 38.937 14.484 2.493 111 H PHE 15 HN PHE 15 44.898 12.735 -2.741 112 HA PHE 15 HA PHE 15 43.528 13.542 -5.043 113 HB2 PHE 15 HB2 PHE 15 45.745 12.273 -4.860 114 HB3 PHE 15 HB1 PHE 15 44.779 10.787 -4.728 115 HD1 PHE 15 HD1 PHE 15 45.047 13.890 -6.858 116 HD2 PHE 15 HD2 PHE 15 44.198 9.659 -6.730 117 HE1 PHE 15 HE1 PHE 15 44.796 13.864 -9.336 118 HE2 PHE 15 HE2 PHE 15 43.948 9.636 -9.207 119 HZ PHE 15 HZ PHE 15 44.197 11.748 -10.505 120 H ILE 16 HN ILE 16 42.597 11.214 -2.646 121 HA ILE 16 HA ILE 16 40.117 10.612 -4.228 122 HB ILE 16 HB ILE 16 41.526 8.539 -2.489 123 HG12 ILE 16 HG12 ILE 16 42.871 9.223 -4.593 124 HG13 ILE 16 HG11 ILE 16 42.484 7.505 -4.406 125 HG21 ILE 16 HG21 ILE 16 39.190 8.084 -2.697 126 HG22 ILE 16 HG22 ILE 16 40.000 7.006 -3.858 127 HG23 ILE 16 HG23 ILE 16 39.185 8.478 -4.432 128 HD11 ILE 16 HD1 ILE 16 42.122 8.455 -6.742 129 HD12 ILE 16 HD2 ILE 16 40.783 9.409 -6.074 130 HD13 ILE 16 HD3 ILE 16 40.712 7.633 -6.038 131 H HIS 17 HN HIS 17 41.456 9.663 -1.013 132 HA HIS 17 HA HIS 17 39.780 11.527 0.416 133 HB2 HIS 17 HB2 HIS 17 38.064 9.845 -0.483 134 HB3 HIS 17 HB1 HIS 17 38.838 8.637 0.567 135 HD1 HIS 17 HD1 HIS 17 38.611 8.926 3.152 136 HD2 HIS 17 HD2 HIS 17 36.609 11.868 0.909 137 HE1 HIS 17 HE1 HIS 17 37.050 10.170 4.748 138 H GLY 18 HN GLY 18 42.099 11.635 1.083 139 HA2 GLY 18 HA1 GLY 18 43.686 11.247 2.731 140 HA3 GLY 18 HA2 GLY 18 42.449 10.357 3.622 141 H MET 19 HN MET 19 44.075 9.886 0.506 142 HA MET 19 HA MET 19 44.888 7.894 -0.261 143 HB2 MET 19 HB2 MET 19 46.748 8.883 1.022 144 HB3 MET 19 HB1 MET 19 46.258 7.834 2.364 145 HG2 MET 19 HG2 MET 19 47.091 5.905 1.341 146 HG3 MET 19 HG1 MET 19 46.782 6.509 -0.305 147 HE1 MET 19 HE1 MET 19 50.557 5.913 -0.443 148 HE2 MET 19 HE2 MET 19 48.915 5.397 -0.897 149 HE3 MET 19 HE3 MET 19 49.556 5.004 0.715 150 H ILE 20 HN ILE 20 42.430 7.663 1.428 151 HA ILE 20 HA ILE 20 41.150 5.888 2.199 152 HB ILE 20 HB ILE 20 43.046 4.289 0.398 153 HG12 ILE 20 HG12 ILE 20 41.062 4.100 -1.026 154 HG13 ILE 20 HG11 ILE 20 40.071 4.934 0.194 155 HG21 ILE 20 HG21 ILE 20 42.407 2.717 2.088 156 HG22 ILE 20 HG22 ILE 20 41.292 2.439 0.731 157 HG23 ILE 20 HG23 ILE 20 40.747 3.357 2.157 158 HD11 ILE 20 HD1 ILE 20 41.123 7.019 -0.194 159 HD12 ILE 20 HD2 ILE 20 40.992 6.323 -1.824 160 HD13 ILE 20 HD3 ILE 20 42.546 6.270 -0.961 161 H GLN 21 HN GLN 21 44.435 6.422 2.683 162 HA GLN 21 HA GLN 21 44.590 4.428 4.981 163 HB2 GLN 21 HB2 GLN 21 46.442 4.573 3.193 164 HB3 GLN 21 HB1 GLN 21 46.844 6.158 3.892 165 HG2 GLN 21 HG2 GLN 21 47.120 5.080 6.126 166 HG3 GLN 21 HG1 GLN 21 46.790 3.497 5.381 167 HE21 GLN 21 HE21 GLN 21 48.257 4.620 2.835 168 HE22 GLN 21 HE22 GLN 21 49.960 4.397 3.250 169 H ASN 22 HN ASN 22 45.021 7.884 4.080 170 HA ASN 22 HA ASN 22 45.242 8.670 6.911 171 HB2 ASN 22 HB2 ASN 22 45.184 10.091 4.222 172 HB3 ASN 22 HB1 ASN 22 44.959 11.012 5.732 173 HD21 ASN 22 HD21 ASN 22 47.292 9.271 3.723 174 HD22 ASN 22 HD22 ASN 22 48.698 9.631 4.730 175 H HIS 23 HN HIS 23 42.901 8.200 4.332 176 HA HIS 23 HA HIS 23 40.581 8.432 4.342 177 HB2 HIS 23 HB2 HIS 23 40.716 6.829 6.183 178 HB3 HIS 23 HB1 HIS 23 40.975 8.147 7.347 179 HD1 HIS 23 HD1 HIS 23 38.946 9.475 8.151 180 HD2 HIS 23 HD2 HIS 23 38.037 6.734 5.093 181 HE1 HIS 23 HE1 HIS 23 36.402 9.394 7.934 182 H HIS 24 HN HIS 24 40.826 9.950 7.536 183 HA HIS 24 HA HIS 24 40.823 12.670 6.555 184 HB2 HIS 24 HB2 HIS 24 38.527 11.874 5.825 185 HB3 HIS 24 HB1 HIS 24 38.131 11.659 7.546 186 HD1 HIS 24 HD1 HIS 24 36.617 13.581 8.104 187 HD2 HIS 24 HD2 HIS 24 39.922 14.784 5.803 188 HE1 HIS 24 HE1 HIS 24 36.567 16.132 7.976 Start of MODEL 76 1 H1 PHE 1 HT1 PHE 1 62.930 -1.765 -6.654 2 H2 PHE 1 HT2 PHE 1 61.378 -1.318 -7.180 3 H3 PHE 1 HT3 PHE 1 61.579 -2.097 -5.684 4 HA PHE 1 HA PHE 1 62.719 -0.252 -4.779 5 HB2 PHE 1 HB2 PHE 1 62.403 0.884 -7.584 6 HB3 PHE 1 HB1 PHE 1 62.912 1.836 -6.168 7 HD1 PHE 1 HD1 PHE 1 65.077 1.401 -5.061 8 HD2 PHE 1 HD2 PHE 1 63.874 -0.796 -8.577 9 HE1 PHE 1 HE1 PHE 1 67.417 0.603 -5.362 10 HE2 PHE 1 HE2 PHE 1 66.215 -1.594 -8.878 11 HZ PHE 1 HZ PHE 1 68.000 -0.833 -7.314 12 H LEU 2 HN LEU 2 61.673 1.930 -4.259 13 HA LEU 2 HA LEU 2 58.868 1.444 -3.762 14 HB2 LEU 2 HB2 LEU 2 60.719 3.823 -3.405 15 HB3 LEU 2 HB1 LEU 2 58.978 3.964 -3.071 16 HG LEU 2 HG LEU 2 59.100 2.162 -1.424 17 HD11 LEU 2 HD11 LEU 2 61.973 1.943 -2.403 18 HD12 LEU 2 HD12 LEU 2 60.734 0.668 -2.322 19 HD13 LEU 2 HD13 LEU 2 61.462 1.295 -0.826 20 HD21 LEU 2 HD21 LEU 2 61.412 4.112 -1.021 21 HD22 LEU 2 HD22 LEU 2 60.496 3.272 0.254 22 HD23 LEU 2 HD23 LEU 2 59.698 4.508 -0.750 23 H GLY 3 HN GLY 3 57.097 2.892 -4.397 24 HA2 GLY 3 HA1 GLY 3 57.329 4.609 -6.687 25 HA3 GLY 3 HA2 GLY 3 56.782 3.000 -7.197 26 H ALA 4 HN ALA 4 56.056 4.483 -4.069 27 HA ALA 4 HA ALA 4 53.462 5.503 -4.855 28 HB1 ALA 4 HB1 ALA 4 53.440 2.902 -3.289 29 HB2 ALA 4 HB2 ALA 4 53.070 3.028 -5.025 30 HB3 ALA 4 HB3 ALA 4 52.034 3.848 -3.831 31 H LEU 5 HN LEU 5 55.746 4.379 -2.428 32 HA LEU 5 HA LEU 5 54.371 5.674 -0.193 33 HB2 LEU 5 HB2 LEU 5 57.102 4.409 -0.600 34 HB3 LEU 5 HB1 LEU 5 56.708 5.279 0.902 35 HG LEU 5 HG LEU 5 54.748 3.800 1.248 36 HD11 LEU 5 HD11 LEU 5 55.699 2.616 -1.389 37 HD12 LEU 5 HD12 LEU 5 54.069 3.181 -0.950 38 HD13 LEU 5 HD13 LEU 5 54.707 1.679 -0.246 39 HD21 LEU 5 HD21 LEU 5 57.328 2.264 0.698 40 HD22 LEU 5 HD22 LEU 5 56.016 1.753 1.785 41 HD23 LEU 5 HD23 LEU 5 56.983 3.194 2.174 42 H ILE 6 HN ILE 6 55.310 7.147 -2.778 43 HA ILE 6 HA ILE 6 56.221 9.583 -1.284 44 HB ILE 6 HB ILE 6 58.088 10.011 -2.855 45 HG12 ILE 6 HG12 ILE 6 57.359 7.274 -4.005 46 HG13 ILE 6 HG11 ILE 6 57.239 8.837 -4.844 47 HG21 ILE 6 HG21 ILE 6 59.666 8.446 -1.958 48 HG22 ILE 6 HG22 ILE 6 58.422 7.184 -1.779 49 HG23 ILE 6 HG23 ILE 6 58.397 8.618 -0.725 50 HD11 ILE 6 HD1 ILE 6 59.733 7.313 -4.027 51 HD12 ILE 6 HD2 ILE 6 59.794 9.062 -4.356 52 HD13 ILE 6 HD3 ILE 6 59.283 7.932 -5.632 53 H LYS 7 HN LYS 7 56.948 10.901 -3.862 54 HA LYS 7 HA LYS 7 55.700 12.388 -5.153 55 HB2 LYS 7 HB2 LYS 7 55.025 10.178 -6.366 56 HB3 LYS 7 HB1 LYS 7 53.541 10.239 -5.384 57 HG2 LYS 7 HG2 LYS 7 53.222 12.632 -6.260 58 HG3 LYS 7 HG1 LYS 7 54.515 12.280 -7.426 59 HD2 LYS 7 HD2 LYS 7 51.985 10.597 -7.124 60 HD3 LYS 7 HD1 LYS 7 52.172 11.899 -8.317 61 HE2 LYS 7 HE2 LYS 7 53.765 9.308 -8.133 62 HE3 LYS 7 HE1 LYS 7 52.694 9.839 -9.448 63 HZ1 LYS 7 HZ1 LYS 7 54.227 11.737 -9.791 64 HZ2 LYS 7 HZ2 LYS 7 54.945 10.227 -10.091 65 HZ3 LYS 7 HZ3 LYS 7 55.287 11.061 -8.651 66 H GLY 8 HN GLY 8 55.739 11.739 -2.526 67 HA2 GLY 8 HA1 GLY 8 54.831 11.818 -0.510 68 HA3 GLY 8 HA2 GLY 8 54.370 13.485 -1.025 69 H ALA 9 HN ALA 9 53.370 10.150 -0.621 70 HA ALA 9 HA ALA 9 51.295 9.149 -0.535 71 HB1 ALA 9 HB1 ALA 9 51.212 10.498 1.513 72 HB2 ALA 9 HB2 ALA 9 49.598 10.371 0.772 73 HB3 ALA 9 HB3 ALA 9 50.545 11.866 0.592 74 H ILE 10 HN ILE 10 51.863 10.014 -3.066 75 HA ILE 10 HA ILE 10 50.818 10.280 -5.088 76 HB ILE 10 HB ILE 10 48.571 9.520 -3.341 77 HG12 ILE 10 HG12 ILE 10 47.755 8.453 -5.505 78 HG13 ILE 10 HG11 ILE 10 49.152 9.192 -6.319 79 HG21 ILE 10 HG21 ILE 10 46.705 10.398 -4.710 80 HG22 ILE 10 HG22 ILE 10 47.847 11.410 -5.619 81 HG23 ILE 10 HG23 ILE 10 47.582 11.702 -3.880 82 HD11 ILE 10 HD1 ILE 10 49.513 6.798 -5.553 83 HD12 ILE 10 HD2 ILE 10 49.382 7.376 -3.877 84 HD13 ILE 10 HD3 ILE 10 50.704 7.952 -4.918 85 H HIS 11 HN HIS 11 49.445 12.433 -2.581 86 HA HIS 11 HA HIS 11 50.290 14.768 -4.169 87 HB2 HIS 11 HB2 HIS 11 48.083 14.258 -5.157 88 HB3 HIS 11 HB1 HIS 11 47.348 14.264 -3.535 89 HD1 HIS 11 HD1 HIS 11 46.768 16.505 -2.485 90 HD2 HIS 11 HD2 HIS 11 49.110 16.892 -5.957 91 HE1 HIS 11 HE1 HIS 11 46.813 18.984 -3.102 92 H GLY 12 HN GLY 12 49.404 13.110 -1.336 93 HA2 GLY 12 HA1 GLY 12 50.554 14.237 0.675 94 HA3 GLY 12 HA2 GLY 12 49.508 15.627 0.316 95 H GLY 13 HN GLY 13 48.548 12.248 -0.075 96 HA2 GLY 13 HA1 GLY 13 46.881 11.030 0.969 97 HA3 GLY 13 HA2 GLY 13 47.329 11.875 2.467 98 H ARG 14 HN ARG 14 45.776 12.682 -0.659 99 HA ARG 14 HA ARG 14 43.503 13.910 0.902 100 HB2 ARG 14 HB2 ARG 14 45.274 15.478 -0.355 101 HB3 ARG 14 HB1 ARG 14 44.331 15.029 -1.792 102 HG2 ARG 14 HG2 ARG 14 43.280 16.344 0.756 103 HG3 ARG 14 HG1 ARG 14 43.410 17.089 -0.853 104 HD2 ARG 14 HD2 ARG 14 41.857 15.180 -1.666 105 HD3 ARG 14 HD1 ARG 14 41.531 14.883 0.057 106 HE ARG 14 HE ARG 14 41.184 17.685 -0.714 107 HH11 ARG 14 HH11 ARG 14 39.775 14.550 -0.885 108 HH12 ARG 14 HH12 ARG 14 38.153 15.118 -0.668 109 HH21 ARG 14 HH21 ARG 14 39.084 18.435 -0.274 110 HH22 ARG 14 HH22 ARG 14 37.762 17.317 -0.323 111 H PHE 15 HN PHE 15 44.574 12.773 -2.339 112 HA PHE 15 HA PHE 15 41.929 12.234 -3.294 113 HB2 PHE 15 HB2 PHE 15 44.051 12.381 -4.686 114 HB3 PHE 15 HB1 PHE 15 44.466 10.761 -4.085 115 HD1 PHE 15 HD1 PHE 15 43.003 8.801 -4.612 116 HD2 PHE 15 HD2 PHE 15 42.306 12.696 -6.338 117 HE1 PHE 15 HE1 PHE 15 41.533 7.772 -6.340 118 HE2 PHE 15 HE2 PHE 15 40.833 11.667 -8.066 119 HZ PHE 15 HZ PHE 15 40.519 9.195 -8.116 120 H ILE 16 HN ILE 16 44.392 9.728 -2.603 121 HA ILE 16 HA ILE 16 42.219 7.902 -1.713 122 HB ILE 16 HB ILE 16 43.990 7.081 -3.259 123 HG12 ILE 16 HG12 ILE 16 44.077 5.758 -0.507 124 HG13 ILE 16 HG11 ILE 16 42.775 5.556 -1.702 125 HG21 ILE 16 HG21 ILE 16 46.029 7.003 -1.029 126 HG22 ILE 16 HG22 ILE 16 45.804 8.546 -1.885 127 HG23 ILE 16 HG23 ILE 16 46.267 7.085 -2.787 128 HD11 ILE 16 HD1 ILE 16 45.697 4.754 -1.990 129 HD12 ILE 16 HD2 ILE 16 44.551 4.776 -3.350 130 HD13 ILE 16 HD3 ILE 16 44.275 3.686 -1.971 131 H HIS 17 HN HIS 17 41.929 9.634 -0.003 132 HA HIS 17 HA HIS 17 43.168 8.622 2.488 133 HB2 HIS 17 HB2 HIS 17 44.760 10.375 1.793 134 HB3 HIS 17 HB1 HIS 17 43.423 11.541 1.651 135 HD1 HIS 17 HD1 HIS 17 45.139 9.315 4.264 136 HD2 HIS 17 HD2 HIS 17 42.704 12.741 4.063 137 HE1 HIS 17 HE1 HIS 17 44.985 10.280 6.625 138 H GLY 18 HN GLY 18 41.327 11.472 1.235 139 HA2 GLY 18 HA1 GLY 18 39.514 11.502 3.477 140 HA3 GLY 18 HA2 GLY 18 39.229 12.252 1.881 141 H MET 19 HN MET 19 39.043 10.583 0.099 142 HA MET 19 HA MET 19 38.243 8.031 0.367 143 HB2 MET 19 HB2 MET 19 36.127 9.629 1.531 144 HB3 MET 19 HB1 MET 19 35.503 8.865 0.058 145 HG2 MET 19 HG2 MET 19 36.077 6.660 0.876 146 HG3 MET 19 HG1 MET 19 36.973 7.344 2.254 147 HE1 MET 19 HE1 MET 19 35.365 5.282 2.998 148 HE2 MET 19 HE2 MET 19 34.049 5.753 4.099 149 HE3 MET 19 HE3 MET 19 35.696 6.372 4.366 150 H ILE 20 HN ILE 20 39.423 8.063 -1.473 151 HA ILE 20 HA ILE 20 39.651 8.158 -3.781 152 HB ILE 20 HB ILE 20 36.645 8.590 -4.068 153 HG12 ILE 20 HG12 ILE 20 38.116 5.996 -3.396 154 HG13 ILE 20 HG11 ILE 20 36.863 6.793 -2.419 155 HG21 ILE 20 HG21 ILE 20 36.924 7.463 -6.158 156 HG22 ILE 20 HG22 ILE 20 38.515 6.816 -5.696 157 HG23 ILE 20 HG23 ILE 20 38.327 8.546 -6.048 158 HD11 ILE 20 HD1 ILE 20 35.329 6.525 -4.494 159 HD12 ILE 20 HD2 ILE 20 35.707 5.059 -3.559 160 HD13 ILE 20 HD3 ILE 20 36.557 5.381 -5.089 161 H GLN 21 HN GLN 21 39.283 10.319 -1.783 162 HA GLN 21 HA GLN 21 39.968 12.617 -2.031 163 HB2 GLN 21 HB2 GLN 21 40.027 12.285 -4.654 164 HB3 GLN 21 HB1 GLN 21 38.355 12.884 -4.609 165 HG2 GLN 21 HG2 GLN 21 39.201 14.893 -3.309 166 HG3 GLN 21 HG1 GLN 21 40.856 14.322 -3.631 167 HE21 GLN 21 HE21 GLN 21 37.862 14.458 -5.698 168 HE22 GLN 21 HE22 GLN 21 38.648 15.355 -7.002 169 H ASN 22 HN ASN 22 37.850 11.049 -0.946 170 HA ASN 22 HA ASN 22 35.726 11.216 -0.069 171 HB2 ASN 22 HB2 ASN 22 36.932 12.758 1.342 172 HB3 ASN 22 HB1 ASN 22 36.651 14.093 0.186 173 HD21 ASN 22 HD21 ASN 22 35.062 15.452 1.040 174 HD22 ASN 22 HD22 ASN 22 33.580 14.884 1.814 175 H HIS 23 HN HIS 23 35.698 11.034 -2.719 176 HA HIS 23 HA HIS 23 34.307 11.399 -4.550 177 HB2 HIS 23 HB2 HIS 23 32.425 12.709 -2.548 178 HB3 HIS 23 HB1 HIS 23 31.998 12.031 -4.135 179 HD1 HIS 23 HD1 HIS 23 32.318 9.384 -4.434 180 HD2 HIS 23 HD2 HIS 23 32.440 10.834 -0.490 181 HE1 HIS 23 HE1 HIS 23 32.062 7.375 -2.876 182 H HIS 24 HN HIS 24 33.608 12.968 -6.090 183 HA HIS 24 HA HIS 24 33.956 14.970 -7.216 184 HB2 HIS 24 HB2 HIS 24 32.124 15.626 -5.651 185 HB3 HIS 24 HB1 HIS 24 33.353 16.184 -4.491 186 HD1 HIS 24 HD1 HIS 24 33.022 16.660 -8.301 187 HD2 HIS 24 HD2 HIS 24 33.543 18.916 -4.790 188 HE1 HIS 24 HE1 HIS 24 33.227 19.111 -8.994 Start of MODEL 77 1 H1 PHE 1 HT1 PHE 1 63.184 2.607 -11.016 2 H2 PHE 1 HT2 PHE 1 62.642 1.190 -10.252 3 H3 PHE 1 HT3 PHE 1 63.391 2.416 -9.346 4 HA PHE 1 HA PHE 1 61.316 3.635 -10.647 5 HB2 PHE 1 HB2 PHE 1 60.354 1.120 -9.236 6 HB3 PHE 1 HB1 PHE 1 59.388 2.308 -10.146 7 HD1 PHE 1 HD1 PHE 1 59.642 2.497 -12.633 8 HD2 PHE 1 HD2 PHE 1 61.581 -0.627 -10.371 9 HE1 PHE 1 HE1 PHE 1 60.028 1.214 -14.734 10 HE2 PHE 1 HE2 PHE 1 61.966 -1.910 -12.473 11 HZ PHE 1 HZ PHE 1 61.184 -0.991 -14.654 12 H LEU 2 HN LEU 2 59.481 4.030 -8.840 13 HA LEU 2 HA LEU 2 60.923 5.266 -6.651 14 HB2 LEU 2 HB2 LEU 2 57.924 4.800 -6.736 15 HB3 LEU 2 HB1 LEU 2 58.820 6.141 -5.984 16 HG LEU 2 HG LEU 2 58.527 5.583 -8.970 17 HD11 LEU 2 HD11 LEU 2 57.656 7.969 -7.282 18 HD12 LEU 2 HD12 LEU 2 56.580 6.628 -7.741 19 HD13 LEU 2 HD13 LEU 2 57.286 7.673 -8.997 20 HD21 LEU 2 HD21 LEU 2 60.230 7.583 -7.421 21 HD22 LEU 2 HD22 LEU 2 59.755 7.855 -9.116 22 HD23 LEU 2 HD23 LEU 2 60.747 6.443 -8.687 23 H GLY 3 HN GLY 3 61.335 4.589 -4.643 24 HA2 GLY 3 HA1 GLY 3 61.147 1.832 -3.985 25 HA3 GLY 3 HA2 GLY 3 61.483 3.148 -2.844 26 H ALA 4 HN ALA 4 58.929 4.521 -3.424 27 HA ALA 4 HA ALA 4 56.806 2.639 -2.726 28 HB1 ALA 4 HB1 ALA 4 58.055 2.837 -0.567 29 HB2 ALA 4 HB2 ALA 4 56.377 3.426 -0.478 30 HB3 ALA 4 HB3 ALA 4 57.723 4.585 -0.583 31 H LEU 5 HN LEU 5 54.913 4.164 -1.662 32 HA LEU 5 HA LEU 5 54.311 6.022 -3.842 33 HB2 LEU 5 HB2 LEU 5 52.723 5.684 -1.276 34 HB3 LEU 5 HB1 LEU 5 52.140 6.157 -2.890 35 HG LEU 5 HG LEU 5 53.236 3.425 -2.085 36 HD11 LEU 5 HD11 LEU 5 50.459 4.235 -3.045 37 HD12 LEU 5 HD12 LEU 5 50.897 4.059 -1.329 38 HD13 LEU 5 HD13 LEU 5 50.964 2.649 -2.415 39 HD21 LEU 5 HD21 LEU 5 52.385 4.603 -4.765 40 HD22 LEU 5 HD22 LEU 5 52.381 2.849 -4.463 41 HD23 LEU 5 HD23 LEU 5 53.901 3.764 -4.361 42 H ILE 6 HN ILE 6 55.977 7.603 -3.620 43 HA ILE 6 HA ILE 6 55.925 9.286 -1.120 44 HB ILE 6 HB ILE 6 57.514 9.900 -3.667 45 HG12 ILE 6 HG12 ILE 6 58.144 7.631 -3.371 46 HG13 ILE 6 HG11 ILE 6 59.414 8.553 -2.542 47 HG21 ILE 6 HG21 ILE 6 58.721 10.261 -0.943 48 HG22 ILE 6 HG22 ILE 6 57.282 11.254 -1.252 49 HG23 ILE 6 HG23 ILE 6 58.688 11.367 -2.332 50 HD11 ILE 6 HD1 ILE 6 57.869 8.194 -0.399 51 HD12 ILE 6 HD2 ILE 6 58.935 6.888 -0.954 52 HD13 ILE 6 HD3 ILE 6 57.205 6.851 -1.354 53 H LYS 7 HN LYS 7 56.681 11.658 -2.937 54 HA LYS 7 HA LYS 7 55.406 13.568 -3.375 55 HB2 LYS 7 HB2 LYS 7 53.499 11.518 -4.619 56 HB3 LYS 7 HB1 LYS 7 53.309 13.281 -4.771 57 HG2 LYS 7 HG2 LYS 7 55.679 13.322 -5.747 58 HG3 LYS 7 HG1 LYS 7 55.575 11.548 -5.840 59 HD2 LYS 7 HD2 LYS 7 53.707 13.553 -7.185 60 HD3 LYS 7 HD1 LYS 7 54.913 12.523 -7.992 61 HE2 LYS 7 HE2 LYS 7 52.314 11.708 -6.653 62 HE3 LYS 7 HE1 LYS 7 52.886 11.337 -8.295 63 HZ1 LYS 7 HZ1 LYS 7 54.817 10.210 -6.906 64 HZ2 LYS 7 HZ2 LYS 7 53.381 9.386 -7.286 65 HZ3 LYS 7 HZ3 LYS 7 53.585 10.078 -5.748 66 H GLY 8 HN GLY 8 55.465 11.827 -1.304 67 HA2 GLY 8 HA1 GLY 8 54.559 10.991 0.540 68 HA3 GLY 8 HA2 GLY 8 54.129 12.723 0.833 69 H ALA 9 HN ALA 9 53.041 9.725 -0.720 70 HA ALA 9 HA ALA 9 50.970 8.721 -0.742 71 HB1 ALA 9 HB1 ALA 9 50.816 9.830 1.628 72 HB2 ALA 9 HB2 ALA 9 49.329 9.245 0.845 73 HB3 ALA 9 HB3 ALA 9 49.716 10.980 0.836 74 H ILE 10 HN ILE 10 51.386 9.477 -2.986 75 HA ILE 10 HA ILE 10 50.815 10.719 -4.897 76 HB ILE 10 HB ILE 10 48.192 10.416 -5.265 77 HG12 ILE 10 HG12 ILE 10 48.720 8.617 -2.846 78 HG13 ILE 10 HG11 ILE 10 47.767 10.114 -2.789 79 HG21 ILE 10 HG21 ILE 10 49.959 7.970 -4.799 80 HG22 ILE 10 HG22 ILE 10 50.035 8.996 -6.251 81 HG23 ILE 10 HG23 ILE 10 48.556 8.086 -5.885 82 HD11 ILE 10 HD1 ILE 10 46.382 8.999 -4.750 83 HD12 ILE 10 HD2 ILE 10 46.097 8.480 -3.073 84 HD13 ILE 10 HD3 ILE 10 47.105 7.487 -4.148 85 H HIS 11 HN HIS 11 47.636 11.506 -3.766 86 HA HIS 11 HA HIS 11 47.555 14.107 -4.576 87 HB2 HIS 11 HB2 HIS 11 45.825 14.512 -2.852 88 HB3 HIS 11 HB1 HIS 11 45.612 12.953 -3.680 89 HD1 HIS 11 HD1 HIS 11 45.209 11.026 -2.156 90 HD2 HIS 11 HD2 HIS 11 47.368 14.100 -0.267 91 HE1 HIS 11 HE1 HIS 11 45.639 10.286 0.252 92 H GLY 12 HN GLY 12 49.549 12.965 -1.979 93 HA2 GLY 12 HA1 GLY 12 49.701 15.177 -0.269 94 HA3 GLY 12 HA2 GLY 12 51.090 14.170 -0.716 95 H GLY 13 HN GLY 13 50.328 15.044 -3.608 96 HA2 GLY 13 HA1 GLY 13 51.105 17.871 -3.641 97 HA3 GLY 13 HA2 GLY 13 52.371 16.757 -4.199 98 H ARG 14 HN ARG 14 50.620 14.788 -5.349 99 HA ARG 14 HA ARG 14 50.445 15.658 -7.988 100 HB2 ARG 14 HB2 ARG 14 50.154 13.297 -7.079 101 HB3 ARG 14 HB1 ARG 14 48.472 13.735 -6.726 102 HG2 ARG 14 HG2 ARG 14 48.378 12.708 -8.873 103 HG3 ARG 14 HG1 ARG 14 48.290 14.449 -9.201 104 HD2 ARG 14 HD2 ARG 14 50.515 14.534 -10.012 105 HD3 ARG 14 HD1 ARG 14 50.970 13.008 -9.218 106 HE ARG 14 HE ARG 14 49.572 13.286 -11.795 107 HH11 ARG 14 HH11 ARG 14 48.052 11.329 -10.037 108 HH12 ARG 14 HH12 ARG 14 48.806 9.831 -10.464 109 HH21 ARG 14 HH21 ARG 14 51.553 11.336 -11.953 110 HH22 ARG 14 HH22 ARG 14 50.789 9.834 -11.549 111 H PHE 15 HN PHE 15 47.779 15.612 -5.602 112 HA PHE 15 HA PHE 15 45.756 16.681 -7.196 113 HB2 PHE 15 HB2 PHE 15 45.618 15.885 -4.772 114 HB3 PHE 15 HB1 PHE 15 46.204 17.499 -4.304 115 HD1 PHE 15 HD1 PHE 15 43.382 15.562 -5.681 116 HD2 PHE 15 HD2 PHE 15 44.835 19.521 -4.760 117 HE1 PHE 15 HE1 PHE 15 41.071 16.465 -5.914 118 HE2 PHE 15 HE2 PHE 15 42.525 20.423 -4.991 119 HZ PHE 15 HZ PHE 15 40.659 18.909 -5.648 120 H ILE 16 HN ILE 16 48.561 18.310 -5.811 121 HA ILE 16 HA ILE 16 47.592 20.870 -7.084 122 HB ILE 16 HB ILE 16 48.834 22.121 -5.389 123 HG12 ILE 16 HG12 ILE 16 49.323 19.354 -4.183 124 HG13 ILE 16 HG11 ILE 16 50.558 20.475 -4.800 125 HG21 ILE 16 HG21 ILE 16 46.986 20.152 -3.983 126 HG22 ILE 16 HG22 ILE 16 46.380 21.390 -5.109 127 HG23 ILE 16 HG23 ILE 16 47.230 21.878 -3.625 128 HD11 ILE 16 HD1 ILE 16 50.610 20.793 -2.448 129 HD12 ILE 16 HD2 ILE 16 48.837 20.747 -2.314 130 HD13 ILE 16 HD3 ILE 16 49.638 22.159 -3.045 131 H HIS 17 HN HIS 17 49.107 18.799 -8.358 132 HA HIS 17 HA HIS 17 51.544 20.427 -8.999 133 HB2 HIS 17 HB2 HIS 17 52.133 18.384 -7.525 134 HB3 HIS 17 HB1 HIS 17 51.628 17.388 -8.905 135 HD1 HIS 17 HD1 HIS 17 52.956 20.404 -10.317 136 HD2 HIS 17 HD2 HIS 17 54.689 16.973 -8.610 137 HE1 HIS 17 HE1 HIS 17 55.368 20.275 -11.149 138 H GLY 18 HN GLY 18 49.047 18.053 -9.780 139 HA2 GLY 18 HA1 GLY 18 49.622 17.529 -12.491 140 HA3 GLY 18 HA2 GLY 18 47.974 17.702 -11.824 141 H MET 19 HN MET 19 47.951 20.214 -10.974 142 HA MET 19 HA MET 19 48.777 22.330 -12.383 143 HB2 MET 19 HB2 MET 19 47.061 20.735 -14.159 144 HB3 MET 19 HB1 MET 19 46.559 22.423 -14.034 145 HG2 MET 19 HG2 MET 19 49.478 21.795 -14.563 146 HG3 MET 19 HG1 MET 19 48.299 21.729 -15.893 147 HE1 MET 19 HE1 MET 19 50.203 25.084 -16.386 148 HE2 MET 19 HE2 MET 19 49.403 23.770 -17.282 149 HE3 MET 19 HE3 MET 19 50.653 23.390 -16.073 150 H ILE 20 HN ILE 20 47.424 21.064 -10.071 151 HA ILE 20 HA ILE 20 45.892 21.741 -8.486 152 HB ILE 20 HB ILE 20 46.236 24.438 -9.904 153 HG12 ILE 20 HG12 ILE 20 47.463 25.013 -7.843 154 HG13 ILE 20 HG11 ILE 20 47.113 23.405 -7.169 155 HG21 ILE 20 HG21 ILE 20 44.043 24.594 -8.998 156 HG22 ILE 20 HG22 ILE 20 45.086 25.304 -7.745 157 HG23 ILE 20 HG23 ILE 20 44.477 23.641 -7.558 158 HD11 ILE 20 HD1 ILE 20 48.538 23.681 -9.838 159 HD12 ILE 20 HD2 ILE 20 48.547 22.311 -8.703 160 HD13 ILE 20 HD3 ILE 20 49.437 23.797 -8.308 161 H GLN 21 HN GLN 21 45.596 21.574 -11.790 162 HA GLN 21 HA GLN 21 42.543 21.507 -11.567 163 HB2 GLN 21 HB2 GLN 21 44.207 22.597 -13.868 164 HB3 GLN 21 HB1 GLN 21 42.440 22.383 -13.878 165 HG2 GLN 21 HG2 GLN 21 42.214 23.930 -11.979 166 HG3 GLN 21 HG1 GLN 21 43.983 24.108 -11.891 167 HE21 GLN 21 HE21 GLN 21 41.321 25.760 -12.929 168 HE22 GLN 21 HE22 GLN 21 42.018 26.605 -14.315 169 H ASN 22 HN ASN 22 45.494 19.872 -12.544 170 HA ASN 22 HA ASN 22 43.845 17.956 -14.201 171 HB2 ASN 22 HB2 ASN 22 46.849 18.378 -14.026 172 HB3 ASN 22 HB1 ASN 22 46.057 17.099 -14.966 173 HD21 ASN 22 HD21 ASN 22 47.631 18.941 -16.370 174 HD22 ASN 22 HD22 ASN 22 46.580 20.023 -17.290 175 H HIS 23 HN HIS 23 45.987 18.304 -11.374 176 HA HIS 23 HA HIS 23 46.453 16.764 -9.682 177 HB2 HIS 23 HB2 HIS 23 44.092 17.007 -9.201 178 HB3 HIS 23 HB1 HIS 23 43.658 15.869 -10.493 179 HD1 HIS 23 HD1 HIS 23 46.652 14.875 -8.540 180 HD2 HIS 23 HD2 HIS 23 42.501 14.239 -8.348 181 HE1 HIS 23 HE1 HIS 23 46.255 12.923 -6.939 182 H HIS 24 HN HIS 24 44.516 14.165 -10.798 183 HA HIS 24 HA HIS 24 46.853 12.485 -11.185 184 HB2 HIS 24 HB2 HIS 24 45.170 10.755 -11.820 185 HB3 HIS 24 HB1 HIS 24 44.783 11.558 -10.279 186 HD1 HIS 24 HD1 HIS 24 42.777 13.228 -10.229 187 HD2 HIS 24 HD2 HIS 24 43.325 11.257 -13.903 188 HE1 HIS 24 HE1 HIS 24 40.693 13.661 -11.644 Start of MODEL 78 1 H1 PHE 1 HT1 PHE 1 54.181 0.055 -12.667 2 H2 PHE 1 HT2 PHE 1 55.721 0.572 -12.171 3 H3 PHE 1 HT3 PHE 1 54.641 1.671 -12.886 4 HA PHE 1 HA PHE 1 53.579 2.075 -11.025 5 HB2 PHE 1 HB2 PHE 1 52.505 -0.154 -11.151 6 HB3 PHE 1 HB1 PHE 1 53.910 -0.872 -10.329 7 HD1 PHE 1 HD1 PHE 1 51.327 1.842 -9.941 8 HD2 PHE 1 HD2 PHE 1 53.965 -0.940 -7.955 9 HE1 PHE 1 HE1 PHE 1 50.341 2.474 -7.741 10 HE2 PHE 1 HE2 PHE 1 52.977 -0.307 -5.758 11 HZ PHE 1 HZ PHE 1 51.135 1.366 -5.656 12 H LEU 2 HN LEU 2 54.112 2.650 -8.867 13 HA LEU 2 HA LEU 2 56.987 2.795 -8.428 14 HB2 LEU 2 HB2 LEU 2 54.852 3.463 -6.374 15 HB3 LEU 2 HB1 LEU 2 56.459 4.198 -6.592 16 HG LEU 2 HG LEU 2 54.075 4.437 -8.481 17 HD11 LEU 2 HD11 LEU 2 55.561 6.475 -6.764 18 HD12 LEU 2 HD12 LEU 2 53.937 5.823 -6.435 19 HD13 LEU 2 HD13 LEU 2 54.215 6.837 -7.872 20 HD21 LEU 2 HD21 LEU 2 55.665 6.113 -9.637 21 HD22 LEU 2 HD22 LEU 2 56.026 4.389 -9.874 22 HD23 LEU 2 HD23 LEU 2 56.975 5.344 -8.710 23 H GLY 3 HN GLY 3 56.831 2.602 -5.500 24 HA2 GLY 3 HA1 GLY 3 56.054 -0.078 -4.776 25 HA3 GLY 3 HA2 GLY 3 57.788 -0.014 -5.150 26 H ALA 4 HN ALA 4 56.183 2.811 -3.861 27 HA ALA 4 HA ALA 4 56.648 2.208 -1.070 28 HB1 ALA 4 HB1 ALA 4 59.009 2.421 -1.911 29 HB2 ALA 4 HB2 ALA 4 58.573 3.593 -0.642 30 HB3 ALA 4 HB3 ALA 4 58.643 4.108 -2.345 31 H LEU 5 HN LEU 5 55.692 4.176 -3.693 32 HA LEU 5 HA LEU 5 54.439 6.129 -3.806 33 HB2 LEU 5 HB2 LEU 5 53.548 5.514 -0.968 34 HB3 LEU 5 HB1 LEU 5 52.637 6.326 -2.262 35 HG LEU 5 HG LEU 5 53.509 3.399 -2.257 36 HD11 LEU 5 HD11 LEU 5 51.664 3.979 -0.668 37 HD12 LEU 5 HD12 LEU 5 51.120 2.926 -1.996 38 HD13 LEU 5 HD13 LEU 5 50.744 4.665 -2.028 39 HD21 LEU 5 HD21 LEU 5 51.877 3.372 -4.272 40 HD22 LEU 5 HD22 LEU 5 53.469 4.118 -4.541 41 HD23 LEU 5 HD23 LEU 5 52.039 5.145 -4.277 42 H ILE 6 HN ILE 6 55.850 7.800 -3.910 43 HA ILE 6 HA ILE 6 56.182 9.393 -1.393 44 HB ILE 6 HB ILE 6 58.658 9.657 -1.794 45 HG12 ILE 6 HG12 ILE 6 58.221 7.354 -3.754 46 HG13 ILE 6 HG11 ILE 6 58.742 9.006 -4.164 47 HG21 ILE 6 HG21 ILE 6 57.617 7.949 -0.173 48 HG22 ILE 6 HG22 ILE 6 59.301 7.646 -0.657 49 HG23 ILE 6 HG23 ILE 6 57.981 6.713 -1.400 50 HD11 ILE 6 HD1 ILE 6 60.272 6.857 -2.660 51 HD12 ILE 6 HD2 ILE 6 60.723 8.575 -2.526 52 HD13 ILE 6 HD3 ILE 6 60.764 7.762 -4.110 53 H LYS 7 HN LYS 7 54.683 9.602 -3.806 54 HA LYS 7 HA LYS 7 55.940 12.057 -4.994 55 HB2 LYS 7 HB2 LYS 7 53.120 10.919 -5.395 56 HB3 LYS 7 HB1 LYS 7 53.897 12.194 -6.362 57 HG2 LYS 7 HG2 LYS 7 55.028 9.372 -6.158 58 HG3 LYS 7 HG1 LYS 7 53.853 9.842 -7.406 59 HD2 LYS 7 HD2 LYS 7 55.448 11.728 -8.052 60 HD3 LYS 7 HD1 LYS 7 56.644 10.984 -6.965 61 HE2 LYS 7 HE2 LYS 7 55.336 9.702 -9.399 62 HE3 LYS 7 HE1 LYS 7 57.046 10.162 -9.217 63 HZ1 LYS 7 HZ1 LYS 7 57.347 8.522 -7.555 64 HZ2 LYS 7 HZ2 LYS 7 56.530 7.756 -8.832 65 HZ3 LYS 7 HZ3 LYS 7 55.684 8.214 -7.432 66 H GLY 8 HN GLY 8 55.625 11.282 -2.421 67 HA2 GLY 8 HA1 GLY 8 55.116 11.722 -0.397 68 HA3 GLY 8 HA2 GLY 8 54.812 13.431 -0.916 69 H ALA 9 HN ALA 9 53.425 10.193 -0.671 70 HA ALA 9 HA ALA 9 51.288 9.431 -0.363 71 HB1 ALA 9 HB1 ALA 9 49.763 10.936 0.997 72 HB2 ALA 9 HB2 ALA 9 51.063 12.150 0.968 73 HB3 ALA 9 HB3 ALA 9 51.336 10.573 1.743 74 H ILE 10 HN ILE 10 51.393 9.696 -2.802 75 HA ILE 10 HA ILE 10 50.515 10.459 -4.793 76 HB ILE 10 HB ILE 10 47.774 10.901 -4.382 77 HG12 ILE 10 HG12 ILE 10 48.791 9.094 -2.128 78 HG13 ILE 10 HG11 ILE 10 47.903 10.628 -1.961 79 HG21 ILE 10 HG21 ILE 10 47.453 8.626 -5.110 80 HG22 ILE 10 HG22 ILE 10 49.025 8.120 -4.451 81 HG23 ILE 10 HG23 ILE 10 48.953 9.186 -5.873 82 HD11 ILE 10 HD1 ILE 10 46.216 9.009 -1.667 83 HD12 ILE 10 HD2 ILE 10 46.889 7.940 -2.921 84 HD13 ILE 10 HD3 ILE 10 46.053 9.440 -3.386 85 H HIS 11 HN HIS 11 47.991 12.349 -3.258 86 HA HIS 11 HA HIS 11 49.400 14.844 -4.215 87 HB2 HIS 11 HB2 HIS 11 47.281 14.246 -5.400 88 HB3 HIS 11 HB1 HIS 11 46.420 14.341 -3.847 89 HD1 HIS 11 HD1 HIS 11 45.163 16.321 -5.404 90 HD2 HIS 11 HD2 HIS 11 48.947 17.131 -3.766 91 HE1 HIS 11 HE1 HIS 11 45.496 18.854 -5.466 92 H GLY 12 HN GLY 12 49.791 13.489 -1.653 93 HA2 GLY 12 HA1 GLY 12 50.166 14.297 0.504 94 HA3 GLY 12 HA2 GLY 12 49.364 15.819 0.064 95 H GLY 13 HN GLY 13 48.267 12.408 0.016 96 HA2 GLY 13 HA1 GLY 13 46.345 11.467 0.899 97 HA3 GLY 13 HA2 GLY 13 46.675 12.467 2.329 98 H ARG 14 HN ARG 14 46.214 13.986 -0.768 99 HA ARG 14 HA ARG 14 43.738 15.277 0.267 100 HB2 ARG 14 HB2 ARG 14 45.524 16.647 -0.788 101 HB3 ARG 14 HB1 ARG 14 45.325 15.733 -2.296 102 HG2 ARG 14 HG2 ARG 14 44.090 17.846 -2.441 103 HG3 ARG 14 HG1 ARG 14 42.943 16.492 -2.425 104 HD2 ARG 14 HD2 ARG 14 42.206 16.975 -0.243 105 HD3 ARG 14 HD1 ARG 14 43.711 17.825 0.190 106 HE ARG 14 HE ARG 14 42.366 19.237 -1.926 107 HH11 ARG 14 HH11 ARG 14 42.378 21.419 -0.933 108 HH12 ARG 14 HH12 ARG 14 41.459 21.580 0.525 109 HH21 ARG 14 HH21 ARG 14 41.089 18.163 0.981 110 HH22 ARG 14 HH22 ARG 14 40.728 19.736 1.609 111 H PHE 15 HN PHE 15 44.841 12.875 -2.028 112 HA PHE 15 HA PHE 15 42.684 12.796 -3.839 113 HB2 PHE 15 HB2 PHE 15 44.769 11.369 -3.882 114 HB3 PHE 15 HB1 PHE 15 44.023 10.356 -2.622 115 HD1 PHE 15 HD1 PHE 15 42.211 8.834 -3.138 116 HD2 PHE 15 HD2 PHE 15 43.704 11.555 -6.138 117 HE1 PHE 15 HE1 PHE 15 40.923 7.612 -4.886 118 HE2 PHE 15 HE2 PHE 15 42.416 10.332 -7.887 119 HZ PHE 15 HZ PHE 15 41.069 8.329 -7.268 120 H ILE 16 HN ILE 16 42.955 11.254 -0.608 121 HA ILE 16 HA ILE 16 40.382 9.990 -0.729 122 HB ILE 16 HB ILE 16 41.829 10.922 1.791 123 HG12 ILE 16 HG12 ILE 16 42.101 8.315 0.224 124 HG13 ILE 16 HG11 ILE 16 43.311 9.618 0.252 125 HG21 ILE 16 HG21 ILE 16 39.944 8.576 1.284 126 HG22 ILE 16 HG22 ILE 16 39.435 10.122 2.000 127 HG23 ILE 16 HG23 ILE 16 40.605 9.092 2.851 128 HD11 ILE 16 HD1 ILE 16 44.118 8.144 1.906 129 HD12 ILE 16 HD2 ILE 16 42.486 7.738 2.483 130 HD13 ILE 16 HD3 ILE 16 43.200 9.323 2.872 131 H HIS 17 HN HIS 17 40.986 12.459 1.803 132 HA HIS 17 HA HIS 17 38.923 14.241 0.645 133 HB2 HIS 17 HB2 HIS 17 38.343 12.504 3.069 134 HB3 HIS 17 HB1 HIS 17 37.461 14.014 2.743 135 HD1 HIS 17 HD1 HIS 17 37.623 10.431 1.840 136 HD2 HIS 17 HD2 HIS 17 35.992 13.942 0.198 137 HE1 HIS 17 HE1 HIS 17 35.970 9.726 0.025 138 H GLY 18 HN GLY 18 41.740 14.222 1.655 139 HA2 GLY 18 HA1 GLY 18 42.402 16.612 2.430 140 HA3 GLY 18 HA2 GLY 18 41.528 16.172 3.920 141 H MET 19 HN MET 19 42.063 13.653 4.277 142 HA MET 19 HA MET 19 44.505 12.556 3.922 143 HB2 MET 19 HB2 MET 19 44.884 14.885 5.624 144 HB3 MET 19 HB1 MET 19 45.254 13.421 6.555 145 HG2 MET 19 HG2 MET 19 46.776 12.689 4.690 146 HG3 MET 19 HG1 MET 19 46.467 14.244 3.880 147 HE1 MET 19 HE1 MET 19 49.105 13.865 3.967 148 HE2 MET 19 HE2 MET 19 49.976 15.022 5.003 149 HE3 MET 19 HE3 MET 19 48.689 15.595 3.913 150 H ILE 20 HN ILE 20 43.037 10.913 3.882 151 HA ILE 20 HA ILE 20 41.882 9.140 4.837 152 HB ILE 20 HB ILE 20 43.403 9.923 7.384 153 HG12 ILE 20 HG12 ILE 20 44.697 7.803 6.808 154 HG13 ILE 20 HG11 ILE 20 43.824 7.762 5.260 155 HG21 ILE 20 HG21 ILE 20 41.669 8.689 8.336 156 HG22 ILE 20 HG22 ILE 20 42.705 7.338 7.848 157 HG23 ILE 20 HG23 ILE 20 41.323 7.803 6.834 158 HD11 ILE 20 HD1 ILE 20 44.920 9.691 4.453 159 HD12 ILE 20 HD2 ILE 20 46.205 8.900 5.388 160 HD13 ILE 20 HD3 ILE 20 45.320 10.274 6.086 161 H GLN 21 HN GLN 21 41.372 12.065 4.855 162 HA GLN 21 HA GLN 21 39.271 13.168 5.114 163 HB2 GLN 21 HB2 GLN 21 38.289 10.923 6.111 164 HB3 GLN 21 HB1 GLN 21 38.687 11.644 7.688 165 HG2 GLN 21 HG2 GLN 21 37.349 13.658 7.087 166 HG3 GLN 21 HG1 GLN 21 36.918 12.894 5.538 167 HE21 GLN 21 HE21 GLN 21 34.944 13.640 7.542 168 HE22 GLN 21 HE22 GLN 21 34.220 12.141 8.134 169 H ASN 22 HN ASN 22 41.955 13.458 5.876 170 HA ASN 22 HA ASN 22 43.349 14.614 7.291 171 HB2 ASN 22 HB2 ASN 22 42.259 16.424 6.164 172 HB3 ASN 22 HB1 ASN 22 40.893 16.386 7.317 173 HD21 ASN 22 HD21 ASN 22 44.501 16.244 7.788 174 HD22 ASN 22 HD22 ASN 22 44.542 17.602 8.919 175 H HIS 23 HN HIS 23 42.489 12.491 8.502 176 HA HIS 23 HA HIS 23 41.078 12.909 10.974 177 HB2 HIS 23 HB2 HIS 23 41.497 10.681 9.953 178 HB3 HIS 23 HB1 HIS 23 43.228 10.849 10.335 179 HD1 HIS 23 HD1 HIS 23 41.457 12.462 13.012 180 HD2 HIS 23 HD2 HIS 23 42.359 8.469 12.053 181 HE1 HIS 23 HE1 HIS 23 41.153 11.082 15.140 182 H HIS 24 HN HIS 24 44.605 12.334 10.541 183 HA HIS 24 HA HIS 24 45.349 13.103 13.156 184 HB2 HIS 24 HB2 HIS 24 46.821 11.968 11.470 185 HB3 HIS 24 HB1 HIS 24 46.975 13.523 10.618 186 HD1 HIS 24 HD1 HIS 24 49.225 14.458 11.162 187 HD2 HIS 24 HD2 HIS 24 47.392 12.711 14.519 188 HE1 HIS 24 HE1 HIS 24 50.739 14.899 13.171 Start of MODEL 79 1 H1 PHE 1 HT1 PHE 1 58.671 -1.501 -2.986 2 H2 PHE 1 HT2 PHE 1 57.320 -0.728 -3.668 3 H3 PHE 1 HT3 PHE 1 57.770 -0.402 -2.062 4 HA PHE 1 HA PHE 1 59.942 0.060 -3.777 5 HB2 PHE 1 HB2 PHE 1 57.452 1.705 -4.364 6 HB3 PHE 1 HB1 PHE 1 59.054 1.854 -5.127 7 HD1 PHE 1 HD1 PHE 1 59.871 0.140 -6.705 8 HD2 PHE 1 HD2 PHE 1 55.943 -0.128 -4.938 9 HE1 PHE 1 HE1 PHE 1 59.229 -1.574 -8.394 10 HE2 PHE 1 HE2 PHE 1 55.300 -1.843 -6.627 11 HZ PHE 1 HZ PHE 1 56.928 -2.532 -8.384 12 H LEU 2 HN LEU 2 60.818 0.444 -1.713 13 HA LEU 2 HA LEU 2 61.399 1.776 0.087 14 HB2 LEU 2 HB2 LEU 2 61.447 3.448 -1.943 15 HB3 LEU 2 HB1 LEU 2 59.962 4.106 -1.226 16 HG LEU 2 HG LEU 2 61.417 4.126 1.024 17 HD11 LEU 2 HD11 LEU 2 63.396 2.987 0.100 18 HD12 LEU 2 HD12 LEU 2 63.810 4.660 0.532 19 HD13 LEU 2 HD13 LEU 2 63.539 4.223 -1.171 20 HD21 LEU 2 HD21 LEU 2 61.780 6.112 -1.267 21 HD22 LEU 2 HD22 LEU 2 62.213 6.434 0.430 22 HD23 LEU 2 HD23 LEU 2 60.513 6.150 -0.016 23 H GLY 3 HN GLY 3 58.577 0.551 -0.283 24 HA2 GLY 3 HA1 GLY 3 56.661 0.410 1.003 25 HA3 GLY 3 HA2 GLY 3 57.595 1.184 2.299 26 H ALA 4 HN ALA 4 57.330 2.920 -0.678 27 HA ALA 4 HA ALA 4 54.839 4.280 -0.087 28 HB1 ALA 4 HB1 ALA 4 56.141 5.247 1.737 29 HB2 ALA 4 HB2 ALA 4 55.821 6.481 0.495 30 HB3 ALA 4 HB3 ALA 4 57.426 5.717 0.599 31 H LEU 5 HN LEU 5 54.092 4.963 -1.976 32 HA LEU 5 HA LEU 5 55.832 4.986 -4.315 33 HB2 LEU 5 HB2 LEU 5 53.019 6.122 -4.175 34 HB3 LEU 5 HB1 LEU 5 53.852 5.383 -5.563 35 HG LEU 5 HG LEU 5 52.953 3.958 -3.019 36 HD11 LEU 5 HD11 LEU 5 51.446 2.754 -4.583 37 HD12 LEU 5 HD12 LEU 5 52.042 3.761 -5.925 38 HD13 LEU 5 HD13 LEU 5 51.126 4.505 -4.592 39 HD21 LEU 5 HD21 LEU 5 54.568 3.046 -5.436 40 HD22 LEU 5 HD22 LEU 5 53.670 1.899 -4.414 41 HD23 LEU 5 HD23 LEU 5 54.976 2.878 -3.712 42 H ILE 6 HN ILE 6 55.998 7.022 -1.907 43 HA ILE 6 HA ILE 6 56.431 9.319 -1.635 44 HB ILE 6 HB ILE 6 57.417 9.395 -4.531 45 HG12 ILE 6 HG12 ILE 6 58.701 7.840 -2.237 46 HG13 ILE 6 HG11 ILE 6 58.086 7.162 -3.762 47 HG21 ILE 6 HG21 ILE 6 57.599 11.296 -2.750 48 HG22 ILE 6 HG22 ILE 6 59.069 10.858 -3.648 49 HG23 ILE 6 HG23 ILE 6 58.835 10.272 -1.983 50 HD11 ILE 6 HD1 ILE 6 60.486 8.981 -3.346 51 HD12 ILE 6 HD2 ILE 6 59.745 8.746 -4.949 52 HD13 ILE 6 HD3 ILE 6 60.443 7.360 -4.078 53 H LYS 7 HN LYS 7 56.555 11.080 -4.224 54 HA LYS 7 HA LYS 7 55.052 12.755 -4.858 55 HB2 LYS 7 HB2 LYS 7 52.824 10.669 -4.714 56 HB3 LYS 7 HB1 LYS 7 52.884 12.125 -5.735 57 HG2 LYS 7 HG2 LYS 7 54.762 9.733 -5.996 58 HG3 LYS 7 HG1 LYS 7 53.338 10.027 -7.023 59 HD2 LYS 7 HD2 LYS 7 54.383 12.317 -7.565 60 HD3 LYS 7 HD1 LYS 7 55.872 11.703 -6.806 61 HE2 LYS 7 HE2 LYS 7 54.443 10.643 -9.269 62 HE3 LYS 7 HE1 LYS 7 56.120 11.222 -9.129 63 HZ1 LYS 7 HZ1 LYS 7 56.422 8.970 -9.035 64 HZ2 LYS 7 HZ2 LYS 7 54.943 8.672 -8.254 65 HZ3 LYS 7 HZ3 LYS 7 56.256 9.303 -7.380 66 H GLY 8 HN GLY 8 55.817 11.748 -2.465 67 HA2 GLY 8 HA1 GLY 8 55.488 11.507 -0.276 68 HA3 GLY 8 HA2 GLY 8 55.067 13.259 -0.402 69 H ALA 9 HN ALA 9 53.877 9.956 -0.275 70 HA ALA 9 HA ALA 9 51.880 9.066 0.424 71 HB1 ALA 9 HB1 ALA 9 50.690 10.156 2.177 72 HB2 ALA 9 HB2 ALA 9 51.261 11.762 1.665 73 HB3 ALA 9 HB3 ALA 9 52.400 10.601 2.388 74 H ILE 10 HN ILE 10 51.602 9.359 -2.034 75 HA ILE 10 HA ILE 10 50.364 10.147 -3.862 76 HB ILE 10 HB ILE 10 47.837 9.690 -3.456 77 HG12 ILE 10 HG12 ILE 10 48.957 8.664 -0.801 78 HG13 ILE 10 HG11 ILE 10 47.957 10.124 -0.970 79 HG21 ILE 10 HG21 ILE 10 49.533 8.035 -4.363 80 HG22 ILE 10 HG22 ILE 10 48.189 7.287 -3.475 81 HG23 ILE 10 HG23 ILE 10 49.780 7.464 -2.696 82 HD11 ILE 10 HD1 ILE 10 47.175 7.221 -1.361 83 HD12 ILE 10 HD2 ILE 10 46.256 8.508 -2.176 84 HD13 ILE 10 HD3 ILE 10 46.367 8.480 -0.403 85 H HIS 11 HN HIS 11 51.059 12.359 -3.755 86 HA HIS 11 HA HIS 11 50.719 14.656 -3.530 87 HB2 HIS 11 HB2 HIS 11 49.277 13.906 -5.468 88 HB3 HIS 11 HB1 HIS 11 47.895 13.897 -4.349 89 HD1 HIS 11 HD1 HIS 11 50.169 16.536 -3.338 90 HD2 HIS 11 HD2 HIS 11 47.229 16.157 -6.319 91 HE1 HIS 11 HE1 HIS 11 49.498 18.896 -4.050 92 H GLY 12 HN GLY 12 49.966 12.907 -1.139 93 HA2 GLY 12 HA1 GLY 12 49.027 13.212 0.953 94 HA3 GLY 12 HA2 GLY 12 49.263 14.945 0.654 95 H GLY 13 HN GLY 13 47.032 12.208 0.229 96 HA2 GLY 13 HA1 GLY 13 44.732 12.182 -0.096 97 HA3 GLY 13 HA2 GLY 13 44.733 13.501 1.092 98 H ARG 14 HN ARG 14 45.031 12.743 -2.368 99 HA ARG 14 HA ARG 14 43.248 14.886 -3.097 100 HB2 ARG 14 HB2 ARG 14 45.502 16.078 -2.507 101 HB3 ARG 14 HB1 ARG 14 46.097 15.376 -4.021 102 HG2 ARG 14 HG2 ARG 14 45.274 17.573 -4.559 103 HG3 ARG 14 HG1 ARG 14 44.093 16.409 -5.197 104 HD2 ARG 14 HD2 ARG 14 42.454 17.031 -3.657 105 HD3 ARG 14 HD1 ARG 14 43.635 17.446 -2.393 106 HE ARG 14 HE ARG 14 43.654 19.642 -3.240 107 HH11 ARG 14 HH11 ARG 14 44.331 18.503 -6.066 108 HH12 ARG 14 HH12 ARG 14 43.068 19.240 -6.991 109 HH21 ARG 14 HH21 ARG 14 41.194 20.138 -4.216 110 HH22 ARG 14 HH22 ARG 14 41.292 20.166 -5.945 111 H PHE 15 HN PHE 15 46.178 13.244 -4.386 112 HA PHE 15 HA PHE 15 45.421 12.917 -7.039 113 HB2 PHE 15 HB2 PHE 15 47.565 12.129 -5.879 114 HB3 PHE 15 HB1 PHE 15 46.667 10.665 -5.417 115 HD1 PHE 15 HD1 PHE 15 47.291 12.809 -8.470 116 HD2 PHE 15 HD2 PHE 15 46.794 8.819 -6.890 117 HE1 PHE 15 HE1 PHE 15 47.733 11.858 -10.728 118 HE2 PHE 15 HE2 PHE 15 47.235 7.873 -9.150 119 HZ PHE 15 HZ PHE 15 47.761 9.390 -11.055 120 H ILE 16 HN ILE 16 44.358 11.050 -4.232 121 HA ILE 16 HA ILE 16 42.011 10.081 -5.788 122 HB ILE 16 HB ILE 16 42.325 7.770 -4.685 123 HG12 ILE 16 HG12 ILE 16 45.169 8.861 -4.410 124 HG13 ILE 16 HG11 ILE 16 44.078 8.434 -3.074 125 HG21 ILE 16 HG21 ILE 16 42.736 8.327 -7.140 126 HG22 ILE 16 HG22 ILE 16 43.658 6.939 -6.522 127 HG23 ILE 16 HG23 ILE 16 44.456 8.515 -6.733 128 HD11 ILE 16 HD1 ILE 16 43.987 6.067 -4.218 129 HD12 ILE 16 HD2 ILE 16 45.432 6.510 -3.279 130 HD13 ILE 16 HD3 ILE 16 45.465 6.604 -5.054 131 H HIS 17 HN HIS 17 41.629 12.052 -4.298 132 HA HIS 17 HA HIS 17 40.275 10.986 -1.882 133 HB2 HIS 17 HB2 HIS 17 42.607 11.618 -1.138 134 HB3 HIS 17 HB1 HIS 17 42.256 13.283 -1.658 135 HD1 HIS 17 HD1 HIS 17 40.243 14.537 -0.425 136 HD2 HIS 17 HD2 HIS 17 41.567 10.972 1.370 137 HE1 HIS 17 HE1 HIS 17 39.273 14.468 1.938 138 H GLY 18 HN GLY 18 41.319 14.050 -3.509 139 HA2 GLY 18 HA1 GLY 18 38.932 15.495 -2.836 140 HA3 GLY 18 HA2 GLY 18 40.001 15.838 -4.224 141 H MET 19 HN MET 19 39.953 13.974 -5.839 142 HA MET 19 HA MET 19 37.955 12.301 -6.359 143 HB2 MET 19 HB2 MET 19 36.792 14.973 -6.614 144 HB3 MET 19 HB1 MET 19 36.675 14.082 -8.145 145 HG2 MET 19 HG2 MET 19 35.825 12.877 -5.482 146 HG3 MET 19 HG1 MET 19 34.716 13.805 -6.519 147 HE1 MET 19 HE1 MET 19 33.537 10.183 -7.103 148 HE2 MET 19 HE2 MET 19 32.990 11.875 -7.048 149 HE3 MET 19 HE3 MET 19 33.897 11.188 -5.680 150 H ILE 20 HN ILE 20 39.875 11.444 -7.030 151 HA ILE 20 HA ILE 20 41.368 10.851 -8.710 152 HB ILE 20 HB ILE 20 39.707 12.404 -10.745 153 HG12 ILE 20 HG12 ILE 20 39.114 9.651 -9.558 154 HG13 ILE 20 HG11 ILE 20 38.085 11.094 -9.439 155 HG21 ILE 20 HG21 ILE 20 40.571 10.826 -12.313 156 HG22 ILE 20 HG22 ILE 20 41.067 9.693 -11.034 157 HG23 ILE 20 HG23 ILE 20 41.958 11.211 -11.273 158 HD11 ILE 20 HD1 ILE 20 37.122 9.831 -11.207 159 HD12 ILE 20 HD2 ILE 20 38.711 9.424 -11.895 160 HD13 ILE 20 HD3 ILE 20 38.078 11.082 -12.034 161 H GLN 21 HN GLN 21 40.945 13.419 -7.230 162 HA GLN 21 HA GLN 21 42.565 15.142 -6.823 163 HB2 GLN 21 HB2 GLN 21 44.063 14.114 -8.745 164 HB3 GLN 21 HB1 GLN 21 43.252 15.306 -9.788 165 HG2 GLN 21 HG2 GLN 21 43.907 17.068 -8.024 166 HG3 GLN 21 HG1 GLN 21 44.978 15.825 -7.336 167 HE21 GLN 21 HE21 GLN 21 45.559 18.460 -8.865 168 HE22 GLN 21 HE22 GLN 21 46.650 17.946 -10.156 169 H ASN 22 HN ASN 22 39.850 14.859 -7.444 170 HA ASN 22 HA ASN 22 38.007 16.001 -8.216 171 HB2 ASN 22 HB2 ASN 22 38.016 18.418 -7.557 172 HB3 ASN 22 HB1 ASN 22 38.517 17.272 -6.277 173 HD21 ASN 22 HD21 ASN 22 39.543 19.989 -8.270 174 HD22 ASN 22 HD22 ASN 22 41.189 20.079 -7.632 175 H HIS 23 HN HIS 23 39.318 15.149 -10.241 176 HA HIS 23 HA HIS 23 39.804 15.541 -12.497 177 HB2 HIS 23 HB2 HIS 23 37.719 17.737 -12.215 178 HB3 HIS 23 HB1 HIS 23 38.146 16.831 -13.688 179 HD1 HIS 23 HD1 HIS 23 38.373 14.254 -11.363 180 HD2 HIS 23 HD2 HIS 23 35.088 16.371 -12.918 181 HE1 HIS 23 HE1 HIS 23 36.292 12.822 -10.978 182 H HIS 24 HN HIS 24 40.028 17.527 -14.209 183 HA HIS 24 HA HIS 24 41.550 19.150 -14.872 184 HB2 HIS 24 HB2 HIS 24 39.852 20.540 -13.674 185 HB3 HIS 24 HB1 HIS 24 40.827 20.397 -12.191 186 HD1 HIS 24 HD1 HIS 24 43.512 21.129 -12.613 187 HD2 HIS 24 HD2 HIS 24 40.550 22.796 -15.087 188 HE1 HIS 24 HE1 HIS 24 44.518 23.205 -13.710 Start of MODEL 80 1 H1 PHE 1 HT1 PHE 1 62.286 3.133 -9.055 2 H2 PHE 1 HT2 PHE 1 62.509 1.622 -9.800 3 H3 PHE 1 HT3 PHE 1 61.519 1.759 -8.426 4 HA PHE 1 HA PHE 1 60.977 3.140 -10.968 5 HB2 PHE 1 HB2 PHE 1 60.984 0.673 -11.280 6 HB3 PHE 1 HB1 PHE 1 59.817 0.517 -9.944 7 HD1 PHE 1 HD1 PHE 1 57.480 0.989 -10.274 8 HD2 PHE 1 HD2 PHE 1 60.343 1.969 -13.352 9 HE1 PHE 1 HE1 PHE 1 55.616 1.457 -11.859 10 HE2 PHE 1 HE2 PHE 1 58.479 2.435 -14.936 11 HZ PHE 1 HZ PHE 1 56.117 2.250 -14.167 12 H LEU 2 HN LEU 2 60.528 2.739 -7.622 13 HA LEU 2 HA LEU 2 58.922 3.529 -6.142 14 HB2 LEU 2 HB2 LEU 2 58.195 5.577 -8.262 15 HB3 LEU 2 HB1 LEU 2 58.228 5.766 -6.491 16 HG LEU 2 HG LEU 2 60.636 5.395 -8.329 17 HD11 LEU 2 HD11 LEU 2 59.775 7.723 -6.555 18 HD12 LEU 2 HD12 LEU 2 59.574 7.659 -8.322 19 HD13 LEU 2 HD13 LEU 2 61.205 7.673 -7.611 20 HD21 LEU 2 HD21 LEU 2 61.162 4.253 -6.285 21 HD22 LEU 2 HD22 LEU 2 60.361 5.498 -5.295 22 HD23 LEU 2 HD23 LEU 2 61.892 5.866 -6.124 23 H GLY 3 HN GLY 3 56.445 4.815 -6.566 24 HA2 GLY 3 HA1 GLY 3 54.756 3.484 -8.427 25 HA3 GLY 3 HA2 GLY 3 54.750 2.551 -6.918 26 H ALA 4 HN ALA 4 54.553 4.059 -4.885 27 HA ALA 4 HA ALA 4 52.943 6.462 -5.274 28 HB1 ALA 4 HB1 ALA 4 51.290 4.655 -5.788 29 HB2 ALA 4 HB2 ALA 4 50.859 5.630 -4.362 30 HB3 ALA 4 HB3 ALA 4 51.553 4.005 -4.153 31 H LEU 5 HN LEU 5 55.015 4.521 -3.605 32 HA LEU 5 HA LEU 5 54.241 5.180 -0.869 33 HB2 LEU 5 HB2 LEU 5 56.728 4.027 -2.176 34 HB3 LEU 5 HB1 LEU 5 56.692 4.421 -0.442 35 HG LEU 5 HG LEU 5 54.826 2.903 -0.072 36 HD11 LEU 5 HD11 LEU 5 54.836 2.697 -3.110 37 HD12 LEU 5 HD12 LEU 5 53.484 3.123 -2.033 38 HD13 LEU 5 HD13 LEU 5 54.082 1.449 -2.088 39 HD21 LEU 5 HD21 LEU 5 55.907 0.764 -0.677 40 HD22 LEU 5 HD22 LEU 5 57.120 1.942 -0.125 41 HD23 LEU 5 HD23 LEU 5 56.931 1.606 -1.863 42 H ILE 6 HN ILE 6 54.856 7.263 -3.157 43 HA ILE 6 HA ILE 6 55.937 9.262 -1.295 44 HB ILE 6 HB ILE 6 57.963 7.879 -2.367 45 HG12 ILE 6 HG12 ILE 6 57.911 10.934 -2.363 46 HG13 ILE 6 HG11 ILE 6 58.216 9.885 -0.966 47 HG21 ILE 6 HG21 ILE 6 58.622 8.290 -4.546 48 HG22 ILE 6 HG22 ILE 6 57.887 9.904 -4.601 49 HG23 ILE 6 HG23 ILE 6 56.867 8.456 -4.765 50 HD11 ILE 6 HD1 ILE 6 59.932 10.220 -3.454 51 HD12 ILE 6 HD2 ILE 6 60.154 8.879 -2.306 52 HD13 ILE 6 HD3 ILE 6 60.371 10.562 -1.765 53 H LYS 7 HN LYS 7 56.852 10.975 -3.648 54 HA LYS 7 HA LYS 7 55.709 12.719 -4.686 55 HB2 LYS 7 HB2 LYS 7 53.594 10.600 -5.348 56 HB3 LYS 7 HB1 LYS 7 53.751 12.193 -6.119 57 HG2 LYS 7 HG2 LYS 7 56.016 10.159 -6.166 58 HG3 LYS 7 HG1 LYS 7 54.727 10.149 -7.388 59 HD2 LYS 7 HD2 LYS 7 55.271 12.593 -7.851 60 HD3 LYS 7 HD1 LYS 7 56.690 12.406 -6.792 61 HE2 LYS 7 HE2 LYS 7 56.116 10.685 -9.242 62 HE3 LYS 7 HE1 LYS 7 57.237 12.066 -9.210 63 HZ1 LYS 7 HZ1 LYS 7 58.594 10.971 -7.624 64 HZ2 LYS 7 HZ2 LYS 7 58.281 9.838 -8.852 65 HZ3 LYS 7 HZ3 LYS 7 57.454 9.741 -7.369 66 H GLY 8 HN GLY 8 55.628 11.648 -2.202 67 HA2 GLY 8 HA1 GLY 8 54.626 11.425 -0.234 68 HA3 GLY 8 HA2 GLY 8 54.289 13.183 -0.470 69 H ALA 9 HN ALA 9 53.070 9.928 -0.549 70 HA ALA 9 HA ALA 9 50.955 9.045 -0.902 71 HB1 ALA 9 HB1 ALA 9 49.352 9.854 0.750 72 HB2 ALA 9 HB2 ALA 9 50.286 11.356 0.953 73 HB3 ALA 9 HB3 ALA 9 50.983 9.797 1.460 74 H ILE 10 HN ILE 10 51.480 10.407 -3.125 75 HA ILE 10 HA ILE 10 50.653 11.823 -4.780 76 HB ILE 10 HB ILE 10 48.044 11.238 -5.166 77 HG12 ILE 10 HG12 ILE 10 49.000 9.040 -3.263 78 HG13 ILE 10 HG11 ILE 10 47.754 10.251 -2.892 79 HG21 ILE 10 HG21 ILE 10 50.039 10.435 -6.518 80 HG22 ILE 10 HG22 ILE 10 48.714 9.263 -6.404 81 HG23 ILE 10 HG23 ILE 10 50.167 9.059 -5.398 82 HD11 ILE 10 HD1 ILE 10 47.627 7.920 -4.818 83 HD12 ILE 10 HD2 ILE 10 46.597 9.347 -5.094 84 HD13 ILE 10 HD3 ILE 10 46.452 8.422 -3.581 85 H HIS 11 HN HIS 11 47.447 11.908 -3.379 86 HA HIS 11 HA HIS 11 47.202 14.694 -3.606 87 HB2 HIS 11 HB2 HIS 11 45.270 14.493 -2.100 88 HB3 HIS 11 HB1 HIS 11 45.294 13.172 -3.293 89 HD1 HIS 11 HD1 HIS 11 45.110 10.854 -2.377 90 HD2 HIS 11 HD2 HIS 11 46.576 13.570 0.482 91 HE1 HIS 11 HE1 HIS 11 45.321 9.592 -0.166 92 H GLY 12 HN GLY 12 49.271 13.050 -1.475 93 HA2 GLY 12 HA1 GLY 12 48.966 14.830 0.815 94 HA3 GLY 12 HA2 GLY 12 50.314 13.717 0.506 95 H GLY 13 HN GLY 13 49.704 15.546 -2.208 96 HA2 GLY 13 HA1 GLY 13 51.107 17.985 -1.496 97 HA3 GLY 13 HA2 GLY 13 52.154 16.833 -2.352 98 H ARG 14 HN ARG 14 49.689 15.740 -3.741 99 HA ARG 14 HA ARG 14 49.839 17.568 -6.038 100 HB2 ARG 14 HB2 ARG 14 49.611 14.885 -5.865 101 HB3 ARG 14 HB1 ARG 14 47.879 15.267 -5.926 102 HG2 ARG 14 HG2 ARG 14 50.005 16.069 -7.969 103 HG3 ARG 14 HG1 ARG 14 48.700 14.884 -8.198 104 HD2 ARG 14 HD2 ARG 14 47.104 16.894 -7.611 105 HD3 ARG 14 HD1 ARG 14 48.518 17.903 -8.011 106 HE ARG 14 HE ARG 14 48.191 17.341 -10.282 107 HH11 ARG 14 HH11 ARG 14 45.522 16.311 -8.657 108 HH12 ARG 14 HH12 ARG 14 45.118 15.007 -9.724 109 HH21 ARG 14 HH21 ARG 14 48.107 15.164 -11.475 110 HH22 ARG 14 HH22 ARG 14 46.582 14.358 -11.318 111 H PHE 15 HN PHE 15 47.543 16.702 -3.474 112 HA PHE 15 HA PHE 15 45.115 17.644 -4.325 113 HB2 PHE 15 HB2 PHE 15 45.637 16.861 -2.013 114 HB3 PHE 15 HB1 PHE 15 46.387 18.440 -1.678 115 HD1 PHE 15 HD1 PHE 15 43.203 16.665 -2.366 116 HD2 PHE 15 HD2 PHE 15 45.036 20.467 -1.461 117 HE1 PHE 15 HE1 PHE 15 40.961 17.624 -1.849 118 HE2 PHE 15 HE2 PHE 15 42.794 21.425 -0.944 119 HZ PHE 15 HZ PHE 15 40.753 20.019 -1.193 120 H ILE 16 HN ILE 16 47.671 19.789 -2.960 121 HA ILE 16 HA ILE 16 46.201 22.190 -3.679 122 HB ILE 16 HB ILE 16 49.177 21.882 -3.046 123 HG12 ILE 16 HG12 ILE 16 46.831 22.560 -1.210 124 HG13 ILE 16 HG11 ILE 16 47.603 20.961 -1.298 125 HG21 ILE 16 HG21 ILE 16 49.002 24.272 -2.427 126 HG22 ILE 16 HG22 ILE 16 47.282 24.274 -2.882 127 HG23 ILE 16 HG23 ILE 16 48.532 24.042 -4.125 128 HD11 ILE 16 HD1 ILE 16 48.722 23.563 -0.217 129 HD12 ILE 16 HD2 ILE 16 49.836 22.318 -0.833 130 HD13 ILE 16 HD3 ILE 16 48.737 21.943 0.513 131 H HIS 17 HN HIS 17 49.582 21.873 -4.750 132 HA HIS 17 HA HIS 17 48.836 21.480 -7.556 133 HB2 HIS 17 HB2 HIS 17 49.752 24.208 -6.556 134 HB3 HIS 17 HB1 HIS 17 49.858 23.698 -8.258 135 HD1 HIS 17 HD1 HIS 17 47.648 25.392 -5.952 136 HD2 HIS 17 HD2 HIS 17 47.121 22.824 -9.240 137 HE1 HIS 17 HE1 HIS 17 45.223 25.627 -6.721 138 H GLY 18 HN GLY 18 50.319 19.807 -6.242 139 HA2 GLY 18 HA1 GLY 18 52.425 18.838 -6.180 140 HA3 GLY 18 HA2 GLY 18 52.895 19.952 -7.466 141 H MET 19 HN MET 19 51.894 20.232 -4.089 142 HA MET 19 HA MET 19 52.798 21.640 -2.541 143 HB2 MET 19 HB2 MET 19 55.277 20.301 -3.458 144 HB3 MET 19 HB1 MET 19 55.126 21.175 -1.914 145 HG2 MET 19 HG2 MET 19 53.475 19.619 -1.098 146 HG3 MET 19 HG1 MET 19 53.312 18.861 -2.700 147 HE1 MET 19 HE1 MET 19 56.600 18.333 0.443 148 HE2 MET 19 HE2 MET 19 54.874 18.689 0.702 149 HE3 MET 19 HE3 MET 19 55.935 19.915 -0.034 150 H ILE 20 HN ILE 20 52.723 22.732 -5.306 151 HA ILE 20 HA ILE 20 53.492 24.679 -6.323 152 HB ILE 20 HB ILE 20 54.037 25.404 -3.399 153 HG12 ILE 20 HG12 ILE 20 52.250 27.085 -3.877 154 HG13 ILE 20 HG11 ILE 20 52.120 26.447 -5.531 155 HG21 ILE 20 HG21 ILE 20 54.460 27.765 -4.337 156 HG22 ILE 20 HG22 ILE 20 54.715 26.978 -5.913 157 HG23 ILE 20 HG23 ILE 20 55.779 26.590 -4.541 158 HD11 ILE 20 HD1 ILE 20 51.298 24.343 -4.767 159 HD12 ILE 20 HD2 ILE 20 50.432 25.556 -3.798 160 HD13 ILE 20 HD3 ILE 20 51.799 24.663 -3.090 161 H GLN 21 HN GLN 21 55.259 22.404 -4.631 162 HA GLN 21 HA GLN 21 57.931 23.420 -5.675 163 HB2 GLN 21 HB2 GLN 21 57.538 22.802 -3.172 164 HB3 GLN 21 HB1 GLN 21 57.509 21.115 -3.732 165 HG2 GLN 21 HG2 GLN 21 59.786 23.084 -4.265 166 HG3 GLN 21 HG1 GLN 21 59.785 21.856 -2.977 167 HE21 GLN 21 HE21 GLN 21 58.854 19.560 -4.109 168 HE22 GLN 21 HE22 GLN 21 59.822 19.110 -5.516 169 H ASN 22 HN ASN 22 55.807 20.504 -5.412 170 HA ASN 22 HA ASN 22 57.445 19.049 -7.362 171 HB2 ASN 22 HB2 ASN 22 54.779 18.585 -5.966 172 HB3 ASN 22 HB1 ASN 22 55.308 17.537 -7.307 173 HD21 ASN 22 HD21 ASN 22 55.995 15.625 -6.305 174 HD22 ASN 22 HD22 ASN 22 57.151 15.578 -4.971 175 H HIS 23 HN HIS 23 54.684 21.220 -7.168 176 HA HIS 23 HA HIS 23 53.422 22.194 -8.878 177 HB2 HIS 23 HB2 HIS 23 55.721 22.910 -9.588 178 HB3 HIS 23 HB1 HIS 23 55.780 21.492 -10.663 179 HD1 HIS 23 HD1 HIS 23 54.601 24.975 -10.472 180 HD2 HIS 23 HD2 HIS 23 53.684 21.555 -12.738 181 HE1 HIS 23 HE1 HIS 23 53.220 25.741 -12.481 182 H HIS 24 HN HIS 24 51.690 20.814 -9.050 183 HA HIS 24 HA HIS 24 50.327 19.204 -10.014 184 HB2 HIS 24 HB2 HIS 24 50.760 20.624 -12.019 185 HB3 HIS 24 HB1 HIS 24 52.150 19.589 -12.421 186 HD1 HIS 24 HD1 HIS 24 51.703 17.400 -13.611 187 HD2 HIS 24 HD2 HIS 24 48.204 19.143 -12.061 188 HE1 HIS 24 HE1 HIS 24 49.721 16.064 -14.514 Start of MODEL 81 1 H1 PHE 1 HT1 PHE 1 53.896 4.532 -11.507 2 H2 PHE 1 HT2 PHE 1 52.280 4.104 -11.207 3 H3 PHE 1 HT3 PHE 1 53.034 3.635 -12.657 4 HA PHE 1 HA PHE 1 52.806 1.833 -11.040 5 HB2 PHE 1 HB2 PHE 1 55.675 2.654 -11.639 6 HB3 PHE 1 HB1 PHE 1 55.067 1.004 -11.362 7 HD1 PHE 1 HD1 PHE 1 53.940 -0.226 -13.108 8 HD2 PHE 1 HD2 PHE 1 54.954 3.932 -13.676 9 HE1 PHE 1 HE1 PHE 1 53.388 -0.423 -15.530 10 HE2 PHE 1 HE2 PHE 1 54.401 3.735 -16.098 11 HZ PHE 1 HZ PHE 1 53.549 1.578 -17.008 12 H LEU 2 HN LEU 2 52.066 2.546 -8.984 13 HA LEU 2 HA LEU 2 53.873 3.864 -7.127 14 HB2 LEU 2 HB2 LEU 2 51.437 2.221 -6.365 15 HB3 LEU 2 HB1 LEU 2 52.124 3.638 -5.537 16 HG LEU 2 HG LEU 2 50.761 3.613 -8.267 17 HD11 LEU 2 HD11 LEU 2 49.997 4.867 -5.591 18 HD12 LEU 2 HD12 LEU 2 49.227 3.443 -6.331 19 HD13 LEU 2 HD13 LEU 2 49.089 5.037 -7.112 20 HD21 LEU 2 HD21 LEU 2 52.483 5.270 -8.407 21 HD22 LEU 2 HD22 LEU 2 52.237 5.785 -6.719 22 HD23 LEU 2 HD23 LEU 2 51.018 6.172 -7.957 23 H GLY 3 HN GLY 3 55.003 3.034 -5.384 24 HA2 GLY 3 HA1 GLY 3 54.957 0.237 -4.687 25 HA3 GLY 3 HA2 GLY 3 56.337 0.591 -5.745 26 H ALA 4 HN ALA 4 57.289 2.954 -5.009 27 HA ALA 4 HA ALA 4 58.452 2.361 -2.386 28 HB1 ALA 4 HB1 ALA 4 59.775 3.326 -4.238 29 HB2 ALA 4 HB2 ALA 4 59.789 4.371 -2.797 30 HB3 ALA 4 HB3 ALA 4 58.762 4.788 -4.189 31 H LEU 5 HN LEU 5 55.585 3.775 -3.364 32 HA LEU 5 HA LEU 5 54.063 5.162 -2.306 33 HB2 LEU 5 HB2 LEU 5 54.318 3.404 -0.557 34 HB3 LEU 5 HB1 LEU 5 55.627 4.352 0.181 35 HG LEU 5 HG LEU 5 54.016 6.249 0.524 36 HD11 LEU 5 HD11 LEU 5 52.292 6.023 -1.074 37 HD12 LEU 5 HD12 LEU 5 51.500 5.423 0.397 38 HD13 LEU 5 HD13 LEU 5 52.130 4.271 -0.804 39 HD21 LEU 5 HD21 LEU 5 53.115 3.573 1.683 40 HD22 LEU 5 HD22 LEU 5 52.813 5.180 2.389 41 HD23 LEU 5 HD23 LEU 5 54.475 4.551 2.288 42 H ILE 6 HN ILE 6 54.914 7.036 -3.371 43 HA ILE 6 HA ILE 6 55.870 9.047 -1.394 44 HB ILE 6 HB ILE 6 57.899 7.771 -2.629 45 HG12 ILE 6 HG12 ILE 6 57.747 10.813 -2.376 46 HG13 ILE 6 HG11 ILE 6 58.164 9.662 -1.091 47 HG21 ILE 6 HG21 ILE 6 56.709 8.482 -4.941 48 HG22 ILE 6 HG22 ILE 6 58.476 8.379 -4.789 49 HG23 ILE 6 HG23 ILE 6 57.674 9.957 -4.698 50 HD11 ILE 6 HD1 ILE 6 60.254 10.469 -1.913 51 HD12 ILE 6 HD2 ILE 6 59.740 10.312 -3.609 52 HD13 ILE 6 HD3 ILE 6 60.061 8.854 -2.636 53 H LYS 7 HN LYS 7 56.623 10.919 -3.621 54 HA LYS 7 HA LYS 7 55.381 12.640 -4.567 55 HB2 LYS 7 HB2 LYS 7 54.676 10.651 -6.176 56 HB3 LYS 7 HB1 LYS 7 53.159 10.657 -5.245 57 HG2 LYS 7 HG2 LYS 7 52.806 13.034 -5.797 58 HG3 LYS 7 HG1 LYS 7 54.353 13.076 -6.675 59 HD2 LYS 7 HD2 LYS 7 53.489 11.278 -8.199 60 HD3 LYS 7 HD1 LYS 7 51.915 11.381 -7.372 61 HE2 LYS 7 HE2 LYS 7 51.809 13.815 -7.964 62 HE3 LYS 7 HE1 LYS 7 53.320 13.626 -8.883 63 HZ1 LYS 7 HZ1 LYS 7 51.654 13.348 -10.460 64 HZ2 LYS 7 HZ2 LYS 7 50.664 12.437 -9.422 65 HZ3 LYS 7 HZ3 LYS 7 52.078 11.753 -10.071 66 H GLY 8 HN GLY 8 55.426 11.444 -2.139 67 HA2 GLY 8 HA1 GLY 8 54.514 11.082 -0.150 68 HA3 GLY 8 HA2 GLY 8 54.074 12.826 -0.288 69 H ALA 9 HN ALA 9 53.030 9.499 -0.629 70 HA ALA 9 HA ALA 9 50.944 8.522 -0.714 71 HB1 ALA 9 HB1 ALA 9 49.310 9.370 0.823 72 HB2 ALA 9 HB2 ALA 9 50.012 11.006 0.758 73 HB3 ALA 9 HB3 ALA 9 50.909 9.680 1.538 74 H ILE 10 HN ILE 10 51.160 9.071 -3.076 75 HA ILE 10 HA ILE 10 50.111 9.666 -5.036 76 HB ILE 10 HB ILE 10 47.848 9.880 -3.055 77 HG12 ILE 10 HG12 ILE 10 46.740 8.426 -4.734 78 HG13 ILE 10 HG11 ILE 10 48.134 8.631 -5.822 79 HG21 ILE 10 HG21 ILE 10 47.326 11.944 -4.128 80 HG22 ILE 10 HG22 ILE 10 46.302 10.730 -4.924 81 HG23 ILE 10 HG23 ILE 10 47.775 11.316 -5.733 82 HD11 ILE 10 HD1 ILE 10 49.599 7.476 -4.321 83 HD12 ILE 10 HD2 ILE 10 48.110 6.505 -4.366 84 HD13 ILE 10 HD3 ILE 10 48.431 7.576 -2.982 85 H HIS 11 HN HIS 11 48.986 12.209 -2.739 86 HA HIS 11 HA HIS 11 50.755 14.178 -4.044 87 HB2 HIS 11 HB2 HIS 11 48.735 14.105 -5.528 88 HB3 HIS 11 HB1 HIS 11 47.727 14.527 -4.123 89 HD1 HIS 11 HD1 HIS 11 47.104 16.933 -4.369 90 HD2 HIS 11 HD2 HIS 11 51.161 16.244 -5.240 91 HE1 HIS 11 HE1 HIS 11 48.179 19.204 -4.836 92 H GLY 12 HN GLY 12 49.356 12.789 -1.463 93 HA2 GLY 12 HA1 GLY 12 50.041 13.688 0.741 94 HA3 GLY 12 HA2 GLY 12 49.550 15.304 0.199 95 H GLY 13 HN GLY 13 47.836 12.227 -0.321 96 HA2 GLY 13 HA1 GLY 13 45.647 11.671 0.190 97 HA3 GLY 13 HA2 GLY 13 46.054 12.255 1.815 98 H ARG 14 HN ARG 14 44.990 13.340 -1.418 99 HA ARG 14 HA ARG 14 42.872 14.936 -0.247 100 HB2 ARG 14 HB2 ARG 14 44.713 16.468 0.263 101 HB3 ARG 14 HB1 ARG 14 45.288 16.383 -1.416 102 HG2 ARG 14 HG2 ARG 14 43.966 18.460 -0.939 103 HG3 ARG 14 HG1 ARG 14 43.242 17.469 -2.222 104 HD2 ARG 14 HD2 ARG 14 41.472 16.746 -0.836 105 HD3 ARG 14 HD1 ARG 14 42.366 17.100 0.662 106 HE ARG 14 HE ARG 14 41.939 19.540 -0.788 107 HH11 ARG 14 HH11 ARG 14 41.260 20.371 1.582 108 HH12 ARG 14 HH12 ARG 14 39.601 19.993 1.901 109 HH21 ARG 14 HH21 ARG 14 39.377 17.632 -0.629 110 HH22 ARG 14 HH22 ARG 14 38.534 18.441 0.649 111 H PHE 15 HN PHE 15 44.740 13.658 -2.854 112 HA PHE 15 HA PHE 15 43.543 14.839 -5.111 113 HB2 PHE 15 HB2 PHE 15 45.427 13.136 -5.067 114 HB3 PHE 15 HB1 PHE 15 44.188 11.877 -4.845 115 HD1 PHE 15 HD1 PHE 15 45.280 14.658 -7.112 116 HD2 PHE 15 HD2 PHE 15 42.916 11.070 -6.708 117 HE1 PHE 15 HE1 PHE 15 44.854 14.662 -9.567 118 HE2 PHE 15 HE2 PHE 15 42.492 11.072 -9.163 119 HZ PHE 15 HZ PHE 15 43.428 12.892 -10.586 120 H ILE 16 HN ILE 16 42.055 13.070 -2.620 121 HA ILE 16 HA ILE 16 39.531 12.961 -4.206 122 HB ILE 16 HB ILE 16 40.335 10.554 -2.515 123 HG12 ILE 16 HG12 ILE 16 40.782 11.005 -5.504 124 HG13 ILE 16 HG11 ILE 16 42.044 10.785 -4.271 125 HG21 ILE 16 HG21 ILE 16 38.414 10.825 -4.868 126 HG22 ILE 16 HG22 ILE 16 37.915 11.046 -3.175 127 HG23 ILE 16 HG23 ILE 16 38.536 9.472 -3.721 128 HD11 ILE 16 HD1 ILE 16 41.838 8.627 -5.217 129 HD12 ILE 16 HD2 ILE 16 40.069 8.750 -5.353 130 HD13 ILE 16 HD3 ILE 16 40.827 8.518 -3.758 131 H HIS 17 HN HIS 17 40.524 11.586 -1.008 132 HA HIS 17 HA HIS 17 39.330 13.815 0.439 133 HB2 HIS 17 HB2 HIS 17 37.282 12.602 -0.405 134 HB3 HIS 17 HB1 HIS 17 37.823 11.169 0.501 135 HD1 HIS 17 HD1 HIS 17 38.947 13.862 2.512 136 HD2 HIS 17 HD2 HIS 17 35.179 12.118 1.843 137 HE1 HIS 17 HE1 HIS 17 37.435 14.548 4.454 138 H GLY 18 HN GLY 18 41.669 13.380 1.030 139 HA2 GLY 18 HA1 GLY 18 43.160 12.652 2.654 140 HA3 GLY 18 HA2 GLY 18 41.763 12.150 3.606 141 H MET 19 HN MET 19 43.117 11.165 0.492 142 HA MET 19 HA MET 19 43.377 9.008 -0.206 143 HB2 MET 19 HB2 MET 19 45.439 9.483 1.063 144 HB3 MET 19 HB1 MET 19 44.680 8.643 2.429 145 HG2 MET 19 HG2 MET 19 44.942 6.534 1.452 146 HG3 MET 19 HG1 MET 19 44.822 7.163 -0.207 147 HE1 MET 19 HE1 MET 19 48.337 5.367 0.306 148 HE2 MET 19 HE2 MET 19 46.663 5.186 -0.272 149 HE3 MET 19 HE3 MET 19 47.018 5.099 1.471 150 H ILE 20 HN ILE 20 40.974 9.525 1.534 151 HA ILE 20 HA ILE 20 39.269 8.198 2.383 152 HB ILE 20 HB ILE 20 40.568 6.150 0.512 153 HG12 ILE 20 HG12 ILE 20 38.553 6.503 -0.807 154 HG13 ILE 20 HG11 ILE 20 37.834 7.500 0.477 155 HG21 ILE 20 HG21 ILE 20 38.212 5.817 2.408 156 HG22 ILE 20 HG22 ILE 20 39.651 4.780 2.253 157 HG23 ILE 20 HG23 ILE 20 38.427 4.802 0.962 158 HD11 ILE 20 HD1 ILE 20 40.482 8.250 -0.818 159 HD12 ILE 20 HD2 ILE 20 39.364 9.282 0.109 160 HD13 ILE 20 HD3 ILE 20 38.922 8.737 -1.523 161 H GLN 21 HN GLN 21 42.582 7.788 2.778 162 HA GLN 21 HA GLN 21 42.222 5.853 5.108 163 HB2 GLN 21 HB2 GLN 21 43.950 5.380 3.271 164 HB3 GLN 21 HB1 GLN 21 44.836 6.800 3.872 165 HG2 GLN 21 HG2 GLN 21 45.780 4.906 5.005 166 HG3 GLN 21 HG1 GLN 21 44.739 5.723 6.195 167 HE21 GLN 21 HE21 GLN 21 44.900 2.920 3.938 168 HE22 GLN 21 HE22 GLN 21 43.643 1.993 4.764 169 H ASN 22 HN ASN 22 43.495 9.057 4.111 170 HA ASN 22 HA ASN 22 44.132 9.738 6.921 171 HB2 ASN 22 HB2 ASN 22 44.334 11.131 4.219 172 HB3 ASN 22 HB1 ASN 22 44.536 12.037 5.742 173 HD21 ASN 22 HD21 ASN 22 46.783 12.394 5.833 174 HD22 ASN 22 HD22 ASN 22 47.979 11.097 5.736 175 H HIS 23 HN HIS 23 41.696 10.106 4.388 176 HA HIS 23 HA HIS 23 39.574 11.071 4.470 177 HB2 HIS 23 HB2 HIS 23 39.384 9.336 6.294 178 HB3 HIS 23 HB1 HIS 23 39.759 10.617 7.471 179 HD1 HIS 23 HD1 HIS 23 37.287 10.056 4.565 180 HD2 HIS 23 HD2 HIS 23 37.502 11.983 8.295 181 HE1 HIS 23 HE1 HIS 23 34.973 11.017 5.060 182 H HIS 24 HN HIS 24 42.190 12.644 5.490 183 HA HIS 24 HA HIS 24 40.827 15.206 5.574 184 HB2 HIS 24 HB2 HIS 24 40.435 14.397 7.917 185 HB3 HIS 24 HB1 HIS 24 42.199 14.317 8.140 186 HD1 HIS 24 HD1 HIS 24 43.510 16.688 7.594 187 HD2 HIS 24 HD2 HIS 24 39.414 16.892 8.524 188 HE1 HIS 24 HE1 HIS 24 42.991 19.110 8.220 Start of MODEL 82 1 H1 PHE 1 HT1 PHE 1 60.453 -1.247 -6.900 2 H2 PHE 1 HT2 PHE 1 61.507 -2.149 -5.920 3 H3 PHE 1 HT3 PHE 1 61.801 -2.010 -7.587 4 HA PHE 1 HA PHE 1 63.253 -0.622 -6.223 5 HB2 PHE 1 HB2 PHE 1 61.309 0.778 -8.102 6 HB3 PHE 1 HB1 PHE 1 62.875 1.438 -7.574 7 HD1 PHE 1 HD1 PHE 1 64.998 0.387 -8.286 8 HD2 PHE 1 HD2 PHE 1 61.185 -1.084 -9.675 9 HE1 PHE 1 HE1 PHE 1 66.150 -0.911 -10.073 10 HE2 PHE 1 HE2 PHE 1 62.337 -2.381 -11.464 11 HZ PHE 1 HZ PHE 1 64.824 -2.341 -11.624 12 H LEU 2 HN LEU 2 60.080 1.027 -6.566 13 HA LEU 2 HA LEU 2 60.544 2.661 -4.230 14 HB2 LEU 2 HB2 LEU 2 58.113 2.036 -5.940 15 HB3 LEU 2 HB1 LEU 2 57.980 3.059 -4.490 16 HG LEU 2 HG LEU 2 59.670 4.605 -5.393 17 HD11 LEU 2 HD11 LEU 2 59.792 2.549 -7.633 18 HD12 LEU 2 HD12 LEU 2 61.130 3.222 -6.670 19 HD13 LEU 2 HD13 LEU 2 60.311 4.233 -7.882 20 HD21 LEU 2 HD21 LEU 2 58.335 5.523 -7.231 21 HD22 LEU 2 HD22 LEU 2 57.242 4.866 -5.989 22 HD23 LEU 2 HD23 LEU 2 57.545 3.949 -7.483 23 H GLY 3 HN GLY 3 58.899 2.711 -2.386 24 HA2 GLY 3 HA1 GLY 3 57.544 0.327 -1.592 25 HA3 GLY 3 HA2 GLY 3 59.168 0.321 -0.877 26 H ALA 4 HN ALA 4 57.031 3.100 -1.551 27 HA ALA 4 HA ALA 4 56.147 3.371 1.187 28 HB1 ALA 4 HB1 ALA 4 58.424 5.169 0.286 29 HB2 ALA 4 HB2 ALA 4 58.489 3.953 1.583 30 HB3 ALA 4 HB3 ALA 4 57.457 5.392 1.762 31 H LEU 5 HN LEU 5 56.121 4.044 -2.069 32 HA LEU 5 HA LEU 5 54.836 5.452 -3.393 33 HB2 LEU 5 HB2 LEU 5 53.065 5.895 -0.966 34 HB3 LEU 5 HB1 LEU 5 52.604 5.835 -2.684 35 HG LEU 5 HG LEU 5 53.610 3.502 -0.994 36 HD11 LEU 5 HD11 LEU 5 50.913 4.029 -2.321 37 HD12 LEU 5 HD12 LEU 5 51.254 4.235 -0.585 38 HD13 LEU 5 HD13 LEU 5 51.343 2.618 -1.325 39 HD21 LEU 5 HD21 LEU 5 52.933 2.204 -3.127 40 HD22 LEU 5 HD22 LEU 5 54.444 3.136 -3.209 41 HD23 LEU 5 HD23 LEU 5 52.963 3.777 -3.960 42 H ILE 6 HN ILE 6 55.933 7.244 -3.925 43 HA ILE 6 HA ILE 6 56.146 9.460 -1.868 44 HB ILE 6 HB ILE 6 57.816 10.437 -3.423 45 HG12 ILE 6 HG12 ILE 6 57.118 8.022 -5.157 46 HG13 ILE 6 HG11 ILE 6 56.935 9.738 -5.579 47 HG21 ILE 6 HG21 ILE 6 58.436 7.476 -3.090 48 HG22 ILE 6 HG22 ILE 6 58.388 8.605 -1.715 49 HG23 ILE 6 HG23 ILE 6 59.567 8.848 -3.025 50 HD11 ILE 6 HD1 ILE 6 58.933 9.082 -6.680 51 HD12 ILE 6 HD2 ILE 6 59.495 8.137 -5.281 52 HD13 ILE 6 HD3 ILE 6 59.498 9.916 -5.214 53 H LYS 7 HN LYS 7 56.549 11.405 -4.180 54 HA LYS 7 HA LYS 7 55.104 13.089 -4.904 55 HB2 LYS 7 HB2 LYS 7 52.998 10.918 -5.365 56 HB3 LYS 7 HB1 LYS 7 53.077 12.515 -6.138 57 HG2 LYS 7 HG2 LYS 7 54.879 10.112 -6.607 58 HG3 LYS 7 HG1 LYS 7 53.847 10.955 -7.778 59 HD2 LYS 7 HD2 LYS 7 55.296 13.040 -7.341 60 HD3 LYS 7 HD1 LYS 7 56.428 11.949 -6.506 61 HE2 LYS 7 HE2 LYS 7 57.188 12.124 -8.789 62 HE3 LYS 7 HE1 LYS 7 56.438 10.518 -8.616 63 HZ1 LYS 7 HZ1 LYS 7 55.814 12.260 -10.544 64 HZ2 LYS 7 HZ2 LYS 7 54.640 12.667 -9.386 65 HZ3 LYS 7 HZ3 LYS 7 54.748 11.075 -9.967 66 H GLY 8 HN GLY 8 55.497 11.856 -2.527 67 HA2 GLY 8 HA1 GLY 8 54.821 11.402 -0.455 68 HA3 GLY 8 HA2 GLY 8 54.288 13.127 -0.499 69 H ALA 9 HN ALA 9 53.366 9.761 -0.853 70 HA ALA 9 HA ALA 9 51.345 8.672 -0.713 71 HB1 ALA 9 HB1 ALA 9 49.632 9.682 0.798 72 HB2 ALA 9 HB2 ALA 9 50.627 11.155 0.886 73 HB3 ALA 9 HB3 ALA 9 51.256 9.617 1.521 74 H ILE 10 HN ILE 10 51.407 9.204 -3.099 75 HA ILE 10 HA ILE 10 50.223 9.716 -5.003 76 HB ILE 10 HB ILE 10 48.054 9.801 -2.905 77 HG12 ILE 10 HG12 ILE 10 46.984 8.214 -4.484 78 HG13 ILE 10 HG11 ILE 10 48.299 8.498 -5.650 79 HG21 ILE 10 HG21 ILE 10 47.304 11.778 -3.986 80 HG22 ILE 10 HG22 ILE 10 46.368 10.471 -4.743 81 HG23 ILE 10 HG23 ILE 10 47.761 11.173 -5.599 82 HD11 ILE 10 HD1 ILE 10 48.535 6.419 -4.158 83 HD12 ILE 10 HD2 ILE 10 48.810 7.542 -2.806 84 HD13 ILE 10 HD3 ILE 10 49.932 7.519 -4.187 85 H HIS 11 HN HIS 11 48.960 12.180 -2.699 86 HA HIS 11 HA HIS 11 50.530 14.276 -4.088 87 HB2 HIS 11 HB2 HIS 11 48.448 14.085 -5.445 88 HB3 HIS 11 HB1 HIS 11 47.482 14.348 -3.974 89 HD1 HIS 11 HD1 HIS 11 47.538 16.719 -2.872 90 HD2 HIS 11 HD2 HIS 11 49.723 16.415 -6.455 91 HE1 HIS 11 HE1 HIS 11 48.094 19.096 -3.629 92 H GLY 12 HN GLY 12 49.418 12.778 -1.436 93 HA2 GLY 12 HA1 GLY 12 50.271 13.852 0.691 94 HA3 GLY 12 HA2 GLY 12 49.356 15.300 0.227 95 H GLY 13 HN GLY 13 47.899 12.313 -0.637 96 HA2 GLY 13 HA1 GLY 13 46.018 11.237 0.165 97 HA3 GLY 13 HA2 GLY 13 46.593 11.634 1.797 98 H ARG 14 HN ARG 14 45.212 13.377 -1.035 99 HA ARG 14 HA ARG 14 42.917 14.233 0.553 100 HB2 ARG 14 HB2 ARG 14 44.898 15.765 1.243 101 HB3 ARG 14 HB1 ARG 14 44.769 16.450 -0.389 102 HG2 ARG 14 HG2 ARG 14 43.451 17.835 1.106 103 HG3 ARG 14 HG1 ARG 14 42.329 16.935 0.068 104 HD2 ARG 14 HD2 ARG 14 41.545 15.619 1.834 105 HD3 ARG 14 HD1 ARG 14 43.085 15.700 2.725 106 HE ARG 14 HE ARG 14 42.245 17.609 3.811 107 HH11 ARG 14 HH11 ARG 14 41.813 19.820 2.489 108 HH12 ARG 14 HH12 ARG 14 40.158 19.899 1.985 109 HH21 ARG 14 HH21 ARG 14 39.579 16.512 2.444 110 HH22 ARG 14 HH22 ARG 14 38.894 18.027 1.960 111 H PHE 15 HN PHE 15 44.635 13.708 -2.323 112 HA PHE 15 HA PHE 15 42.758 15.235 -4.050 113 HB2 PHE 15 HB2 PHE 15 45.232 14.891 -4.576 114 HB3 PHE 15 HB1 PHE 15 44.850 13.179 -4.876 115 HD1 PHE 15 HD1 PHE 15 44.149 12.534 -7.049 116 HD2 PHE 15 HD2 PHE 15 43.694 16.645 -5.812 117 HE1 PHE 15 HE1 PHE 15 43.360 13.135 -9.333 118 HE2 PHE 15 HE2 PHE 15 42.906 17.245 -8.097 119 HZ PHE 15 HZ PHE 15 42.652 15.472 -9.830 120 H ILE 16 HN ILE 16 43.459 11.970 -2.953 121 HA ILE 16 HA ILE 16 40.738 11.095 -3.627 122 HB ILE 16 HB ILE 16 41.679 8.992 -4.811 123 HG12 ILE 16 HG12 ILE 16 44.022 10.901 -5.285 124 HG13 ILE 16 HG11 ILE 16 44.078 9.497 -4.198 125 HG21 ILE 16 HG21 ILE 16 41.519 10.013 -6.988 126 HG22 ILE 16 HG22 ILE 16 42.026 11.597 -6.358 127 HG23 ILE 16 HG23 ILE 16 40.434 10.932 -5.923 128 HD11 ILE 16 HD1 ILE 16 43.813 9.541 -7.221 129 HD12 ILE 16 HD2 ILE 16 43.309 8.115 -6.280 130 HD13 ILE 16 HD3 ILE 16 44.997 8.672 -6.219 131 H HIS 17 HN HIS 17 41.262 11.385 -1.224 132 HA HIS 17 HA HIS 17 41.814 8.683 -0.138 133 HB2 HIS 17 HB2 HIS 17 44.043 9.862 -0.210 134 HB3 HIS 17 HB1 HIS 17 43.357 11.112 0.856 135 HD1 HIS 17 HD1 HIS 17 42.872 10.495 3.325 136 HD2 HIS 17 HD2 HIS 17 44.565 7.379 1.067 137 HE1 HIS 17 HE1 HIS 17 43.549 8.652 4.958 138 H GLY 18 HN GLY 18 40.590 11.950 0.033 139 HA2 GLY 18 HA1 GLY 18 39.690 12.067 2.711 140 HA3 GLY 18 HA2 GLY 18 38.862 12.812 1.314 141 H MET 19 HN MET 19 38.091 10.948 -0.201 142 HA MET 19 HA MET 19 36.928 8.647 0.863 143 HB2 MET 19 HB2 MET 19 35.587 10.509 2.133 144 HB3 MET 19 HB1 MET 19 34.792 10.719 0.566 145 HG2 MET 19 HG2 MET 19 33.401 9.165 1.684 146 HG3 MET 19 HG1 MET 19 34.420 8.120 0.669 147 HE1 MET 19 HE1 MET 19 33.883 5.990 2.239 148 HE2 MET 19 HE2 MET 19 32.759 7.156 2.977 149 HE3 MET 19 HE3 MET 19 33.812 6.158 4.009 150 H ILE 20 HN ILE 20 38.215 10.121 -1.385 151 HA ILE 20 HA ILE 20 38.063 10.051 -3.693 152 HB ILE 20 HB ILE 20 35.758 8.056 -3.436 153 HG12 ILE 20 HG12 ILE 20 37.480 7.091 -2.073 154 HG13 ILE 20 HG11 ILE 20 37.591 6.273 -3.643 155 HG21 ILE 20 HG21 ILE 20 36.885 7.238 -5.630 156 HG22 ILE 20 HG22 ILE 20 37.737 8.798 -5.619 157 HG23 ILE 20 HG23 ILE 20 35.965 8.756 -5.680 158 HD11 ILE 20 HD1 ILE 20 39.841 6.808 -2.994 159 HD12 ILE 20 HD2 ILE 20 39.396 8.469 -2.545 160 HD13 ILE 20 HD3 ILE 20 39.411 7.982 -4.255 161 H GLN 21 HN GLN 21 35.810 10.827 -1.380 162 HA GLN 21 HA GLN 21 34.242 12.522 -3.379 163 HB2 GLN 21 HB2 GLN 21 32.888 10.546 -2.672 164 HB3 GLN 21 HB1 GLN 21 33.062 11.065 -0.980 165 HG2 GLN 21 HG2 GLN 21 31.880 13.128 -1.404 166 HG3 GLN 21 HG1 GLN 21 31.904 12.847 -3.160 167 HE21 GLN 21 HE21 GLN 21 29.882 12.663 -0.497 168 HE22 GLN 21 HE22 GLN 21 28.795 11.393 -1.070 169 H ASN 22 HN ASN 22 35.999 12.240 -0.365 170 HA ASN 22 HA ASN 22 35.024 14.980 0.454 171 HB2 ASN 22 HB2 ASN 22 34.861 13.079 2.128 172 HB3 ASN 22 HB1 ASN 22 36.635 12.987 2.093 173 HD21 ASN 22 HD21 ASN 22 33.862 15.063 3.000 174 HD22 ASN 22 HD22 ASN 22 34.811 16.157 4.011 175 H HIS 23 HN HIS 23 37.472 13.228 -1.069 176 HA HIS 23 HA HIS 23 39.920 14.238 -0.364 177 HB2 HIS 23 HB2 HIS 23 40.331 14.385 -2.951 178 HB3 HIS 23 HB1 HIS 23 39.872 12.819 -2.245 179 HD1 HIS 23 HD1 HIS 23 37.086 15.240 -2.317 180 HD2 HIS 23 HD2 HIS 23 38.689 12.345 -4.913 181 HE1 HIS 23 HE1 HIS 23 35.332 14.776 -4.116 182 H HIS 24 HN HIS 24 38.730 15.860 -3.251 183 HA HIS 24 HA HIS 24 39.999 18.310 -2.705 184 HB2 HIS 24 HB2 HIS 24 37.410 17.954 -4.265 185 HB3 HIS 24 HB1 HIS 24 38.607 19.258 -4.453 186 HD1 HIS 24 HD1 HIS 24 37.613 16.499 -6.289 187 HD2 HIS 24 HD2 HIS 24 41.363 17.551 -4.703 188 HE1 HIS 24 HE1 HIS 24 39.389 15.273 -7.656 Start of MODEL 83 1 H1 PHE 1 HT1 PHE 1 56.822 -2.556 -5.628 2 H2 PHE 1 HT2 PHE 1 56.154 -2.840 -4.092 3 H3 PHE 1 HT3 PHE 1 57.840 -2.770 -4.290 4 HA PHE 1 HA PHE 1 57.898 -0.536 -4.510 5 HB2 PHE 1 HB2 PHE 1 54.957 -0.742 -5.262 6 HB3 PHE 1 HB1 PHE 1 55.840 0.791 -5.064 7 HD1 PHE 1 HD1 PHE 1 55.326 -2.167 -7.192 8 HD2 PHE 1 HD2 PHE 1 57.719 1.374 -6.589 9 HE1 PHE 1 HE1 PHE 1 56.202 -2.364 -9.517 10 HE2 PHE 1 HE2 PHE 1 58.595 1.178 -8.913 11 HZ PHE 1 HZ PHE 1 57.888 -0.730 -10.353 12 H LEU 2 HN LEU 2 57.479 1.101 -2.950 13 HA LEU 2 HA LEU 2 56.658 -0.005 -0.376 14 HB2 LEU 2 HB2 LEU 2 57.170 2.926 -0.984 15 HB3 LEU 2 HB1 LEU 2 57.415 2.049 0.546 16 HG LEU 2 HG LEU 2 58.994 1.667 -2.037 17 HD11 LEU 2 HD11 LEU 2 59.828 2.692 0.713 18 HD12 LEU 2 HD12 LEU 2 59.513 3.722 -0.704 19 HD13 LEU 2 HD13 LEU 2 60.865 2.563 -0.728 20 HD21 LEU 2 HD21 LEU 2 60.415 0.183 -0.457 21 HD22 LEU 2 HD22 LEU 2 58.869 -0.494 -1.017 22 HD23 LEU 2 HD23 LEU 2 59.001 0.183 0.625 23 H GLY 3 HN GLY 3 55.110 1.147 1.063 24 HA2 GLY 3 HA1 GLY 3 52.530 1.249 -0.218 25 HA3 GLY 3 HA2 GLY 3 52.887 1.655 1.472 26 H ALA 4 HN ALA 4 54.637 3.759 1.236 27 HA ALA 4 HA ALA 4 52.827 5.928 0.725 28 HB1 ALA 4 HB1 ALA 4 55.857 5.991 0.924 29 HB2 ALA 4 HB2 ALA 4 54.740 6.011 2.309 30 HB3 ALA 4 HB3 ALA 4 54.748 7.364 1.150 31 H LEU 5 HN LEU 5 55.684 4.720 -1.084 32 HA LEU 5 HA LEU 5 56.257 4.980 -3.310 33 HB2 LEU 5 HB2 LEU 5 53.747 4.211 -3.475 34 HB3 LEU 5 HB1 LEU 5 53.429 5.901 -3.918 35 HG LEU 5 HG LEU 5 55.436 5.511 -5.649 36 HD11 LEU 5 HD11 LEU 5 55.408 3.169 -6.529 37 HD12 LEU 5 HD12 LEU 5 54.401 2.681 -5.147 38 HD13 LEU 5 HD13 LEU 5 56.061 3.260 -4.879 39 HD21 LEU 5 HD21 LEU 5 53.774 4.740 -7.342 40 HD22 LEU 5 HD22 LEU 5 53.114 6.023 -6.298 41 HD23 LEU 5 HD23 LEU 5 52.647 4.327 -6.029 42 H ILE 6 HN ILE 6 55.931 7.317 -1.277 43 HA ILE 6 HA ILE 6 56.168 9.658 -1.271 44 HB ILE 6 HB ILE 6 57.617 9.443 -3.956 45 HG12 ILE 6 HG12 ILE 6 58.578 8.257 -1.312 46 HG13 ILE 6 HG11 ILE 6 58.258 7.368 -2.820 47 HG21 ILE 6 HG21 ILE 6 57.415 11.549 -2.430 48 HG22 ILE 6 HG22 ILE 6 59.035 11.105 -3.015 49 HG23 ILE 6 HG23 ILE 6 58.549 10.709 -1.348 50 HD11 ILE 6 HD1 ILE 6 60.468 9.376 -2.255 51 HD12 ILE 6 HD2 ILE 6 60.013 8.918 -3.914 52 HD13 ILE 6 HD3 ILE 6 60.621 7.685 -2.783 53 H LYS 7 HN LYS 7 56.631 11.095 -3.999 54 HA LYS 7 HA LYS 7 55.170 12.555 -5.092 55 HB2 LYS 7 HB2 LYS 7 53.135 10.270 -5.057 56 HB3 LYS 7 HB1 LYS 7 53.176 11.652 -6.178 57 HG2 LYS 7 HG2 LYS 7 55.288 10.847 -7.143 58 HG3 LYS 7 HG1 LYS 7 55.328 9.500 -5.979 59 HD2 LYS 7 HD2 LYS 7 53.127 8.706 -6.904 60 HD3 LYS 7 HD1 LYS 7 53.232 9.980 -8.142 61 HE2 LYS 7 HE2 LYS 7 54.076 7.799 -8.993 62 HE3 LYS 7 HE1 LYS 7 55.357 9.034 -8.963 63 HZ1 LYS 7 HZ1 LYS 7 55.085 7.500 -6.520 64 HZ2 LYS 7 HZ2 LYS 7 56.481 7.939 -7.384 65 HZ3 LYS 7 HZ3 LYS 7 55.569 6.589 -7.867 66 H GLY 8 HN GLY 8 55.554 11.903 -2.493 67 HA2 GLY 8 HA1 GLY 8 54.857 11.896 -0.379 68 HA3 GLY 8 HA2 GLY 8 54.348 13.577 -0.800 69 H ALA 9 HN ALA 9 53.393 10.237 -0.371 70 HA ALA 9 HA ALA 9 51.373 9.253 0.094 71 HB1 ALA 9 HB1 ALA 9 49.775 10.467 1.389 72 HB2 ALA 9 HB2 ALA 9 50.337 12.028 0.745 73 HB3 ALA 9 HB3 ALA 9 51.376 11.092 1.847 74 H ILE 10 HN ILE 10 51.900 9.859 -2.564 75 HA ILE 10 HA ILE 10 50.805 9.789 -4.578 76 HB ILE 10 HB ILE 10 48.780 8.912 -2.760 77 HG12 ILE 10 HG12 ILE 10 47.669 8.074 -4.965 78 HG13 ILE 10 HG11 ILE 10 49.036 8.851 -5.795 79 HG21 ILE 10 HG21 ILE 10 47.540 10.839 -4.773 80 HG22 ILE 10 HG22 ILE 10 47.671 11.152 -3.024 81 HG23 ILE 10 HG23 ILE 10 46.681 9.798 -3.614 82 HD11 ILE 10 HD1 ILE 10 49.434 6.422 -5.327 83 HD12 ILE 10 HD2 ILE 10 49.296 6.757 -3.585 84 HD13 ILE 10 HD3 ILE 10 50.629 7.466 -4.525 85 H HIS 11 HN HIS 11 49.957 12.257 -2.234 86 HA HIS 11 HA HIS 11 50.339 14.321 -4.243 87 HB2 HIS 11 HB2 HIS 11 48.032 13.680 -4.825 88 HB3 HIS 11 HB1 HIS 11 47.533 13.905 -3.131 89 HD1 HIS 11 HD1 HIS 11 48.891 15.865 -6.124 90 HD2 HIS 11 HD2 HIS 11 47.028 16.566 -2.417 91 HE1 HIS 11 HE1 HIS 11 48.288 18.347 -6.030 92 H GLY 12 HN GLY 12 49.441 13.230 -1.028 93 HA2 GLY 12 HA1 GLY 12 51.044 14.765 0.504 94 HA3 GLY 12 HA2 GLY 12 49.766 15.940 0.131 95 H GLY 13 HN GLY 13 47.724 13.736 0.005 96 HA2 GLY 13 HA1 GLY 13 47.637 12.451 2.573 97 HA3 GLY 13 HA2 GLY 13 46.733 13.976 2.634 98 H ARG 14 HN ARG 14 47.050 11.632 -0.084 99 HA ARG 14 HA ARG 14 45.292 10.597 -1.260 100 HB2 ARG 14 HB2 ARG 14 43.917 10.499 1.409 101 HB3 ARG 14 HB1 ARG 14 43.751 9.368 0.059 102 HG2 ARG 14 HG2 ARG 14 46.078 8.638 0.359 103 HG3 ARG 14 HG1 ARG 14 46.290 9.808 1.684 104 HD2 ARG 14 HD2 ARG 14 45.815 7.728 2.756 105 HD3 ARG 14 HD1 ARG 14 44.294 8.650 2.828 106 HE ARG 14 HE ARG 14 44.195 7.128 0.450 107 HH11 ARG 14 HH11 ARG 14 42.308 5.742 0.826 108 HH12 ARG 14 HH12 ARG 14 42.433 4.615 2.135 109 HH21 ARG 14 HH21 ARG 14 45.297 6.061 3.454 110 HH22 ARG 14 HH22 ARG 14 44.125 4.797 3.624 111 H PHE 15 HN PHE 15 45.358 13.540 -0.750 112 HA PHE 15 HA PHE 15 44.010 15.375 -1.148 113 HB2 PHE 15 HB2 PHE 15 42.487 13.196 -2.627 114 HB3 PHE 15 HB1 PHE 15 41.903 14.874 -2.591 115 HD1 PHE 15 HD1 PHE 15 44.326 12.547 -4.024 116 HD2 PHE 15 HD2 PHE 15 43.402 16.727 -3.462 117 HE1 PHE 15 HE1 PHE 15 45.919 13.146 -5.845 118 HE2 PHE 15 HE2 PHE 15 44.995 17.323 -5.282 119 HZ PHE 15 HZ PHE 15 46.247 15.532 -6.479 120 H ILE 16 HN ILE 16 43.794 15.341 1.177 121 HA ILE 16 HA ILE 16 42.459 15.844 2.987 122 HB ILE 16 HB ILE 16 39.986 14.934 1.470 123 HG12 ILE 16 HG12 ILE 16 40.855 16.614 0.019 124 HG13 ILE 16 HG11 ILE 16 39.718 17.492 1.054 125 HG21 ILE 16 HG21 ILE 16 40.474 16.710 3.890 126 HG22 ILE 16 HG22 ILE 16 39.609 15.163 3.824 127 HG23 ILE 16 HG23 ILE 16 38.911 16.600 3.049 128 HD11 ILE 16 HD1 ILE 16 41.725 18.094 2.538 129 HD12 ILE 16 HD2 ILE 16 41.705 18.837 0.927 130 HD13 ILE 16 HD3 ILE 16 42.758 17.442 1.248 131 H HIS 17 HN HIS 17 41.725 12.829 1.228 132 HA HIS 17 HA HIS 17 42.510 10.964 3.070 133 HB2 HIS 17 HB2 HIS 17 39.985 12.253 4.069 134 HB3 HIS 17 HB1 HIS 17 40.040 10.486 4.176 135 HD1 HIS 17 HD1 HIS 17 40.657 13.231 6.257 136 HD2 HIS 17 HD2 HIS 17 42.961 9.852 5.275 137 HE1 HIS 17 HE1 HIS 17 42.367 12.906 8.128 138 H GLY 18 HN GLY 18 42.458 10.638 0.447 139 HA2 GLY 18 HA1 GLY 18 41.733 8.660 -0.808 140 HA3 GLY 18 HA2 GLY 18 40.147 8.756 -0.022 141 H MET 19 HN MET 19 39.993 11.569 -0.162 142 HA MET 19 HA MET 19 40.211 13.124 -2.114 143 HB2 MET 19 HB2 MET 19 40.146 11.727 -4.012 144 HB3 MET 19 HB1 MET 19 38.643 10.959 -3.490 145 HG2 MET 19 HG2 MET 19 37.382 12.996 -3.943 146 HG3 MET 19 HG1 MET 19 38.887 13.896 -4.250 147 HE1 MET 19 HE1 MET 19 36.898 13.456 -7.669 148 HE2 MET 19 HE2 MET 19 37.594 14.646 -6.543 149 HE3 MET 19 HE3 MET 19 36.257 13.596 -6.015 150 H ILE 20 HN ILE 20 39.559 14.482 -0.640 151 HA ILE 20 HA ILE 20 38.007 15.786 0.503 152 HB ILE 20 HB ILE 20 35.832 14.797 -1.399 153 HG12 ILE 20 HG12 ILE 20 37.963 16.920 -1.933 154 HG13 ILE 20 HG11 ILE 20 37.798 15.367 -2.780 155 HG21 ILE 20 HG21 ILE 20 36.308 17.606 -0.317 156 HG22 ILE 20 HG22 ILE 20 35.422 16.387 0.626 157 HG23 ILE 20 HG23 ILE 20 34.804 16.902 -0.959 158 HD11 ILE 20 HD1 ILE 20 35.398 16.139 -3.373 159 HD12 ILE 20 HD2 ILE 20 36.744 16.948 -4.212 160 HD13 ILE 20 HD3 ILE 20 35.929 17.758 -2.854 161 H GLN 21 HN GLN 21 38.615 12.967 0.780 162 HA GLN 21 HA GLN 21 38.096 11.396 2.458 163 HB2 GLN 21 HB2 GLN 21 35.282 12.531 2.750 164 HB3 GLN 21 HB1 GLN 21 36.157 11.449 3.848 165 HG2 GLN 21 HG2 GLN 21 37.902 13.427 4.017 166 HG3 GLN 21 HG1 GLN 21 36.563 14.425 3.407 167 HE21 GLN 21 HE21 GLN 21 35.619 15.480 5.145 168 HE22 GLN 21 HE22 GLN 21 35.237 14.707 6.688 169 H ASN 22 HN ASN 22 38.011 11.364 -0.267 170 HA ASN 22 HA ASN 22 37.012 10.416 -2.122 171 HB2 ASN 22 HB2 ASN 22 36.651 7.945 -1.799 172 HB3 ASN 22 HB1 ASN 22 38.238 8.599 -1.296 173 HD21 ASN 22 HD21 ASN 22 38.664 8.817 1.039 174 HD22 ASN 22 HD22 ASN 22 37.677 7.941 2.212 175 H HIS 23 HN HIS 23 35.347 12.083 -1.551 176 HA HIS 23 HA HIS 23 32.774 11.269 -0.588 177 HB2 HIS 23 HB2 HIS 23 33.563 13.637 -1.016 178 HB3 HIS 23 HB1 HIS 23 33.308 13.340 -2.752 179 HD1 HIS 23 HD1 HIS 23 30.864 13.084 -3.610 180 HD2 HIS 23 HD2 HIS 23 31.169 13.854 0.515 181 HE1 HIS 23 HE1 HIS 23 28.523 13.670 -2.770 182 H HIS 24 HN HIS 24 34.039 11.443 -3.947 183 HA HIS 24 HA HIS 24 33.256 10.450 -5.893 184 HB2 HIS 24 HB2 HIS 24 33.914 8.408 -4.667 185 HB3 HIS 24 HB1 HIS 24 32.292 8.322 -3.939 186 HD1 HIS 24 HD1 HIS 24 32.626 9.448 -7.514 187 HD2 HIS 24 HD2 HIS 24 31.810 5.886 -5.431 188 HE1 HIS 24 HE1 HIS 24 31.679 7.779 -9.200 Start of MODEL 84 1 H1 PHE 1 HT1 PHE 1 55.763 6.111 -13.499 2 H2 PHE 1 HT2 PHE 1 57.141 6.271 -12.517 3 H3 PHE 1 HT3 PHE 1 56.859 7.373 -13.778 4 HA PHE 1 HA PHE 1 56.286 8.487 -11.845 5 HB2 PHE 1 HB2 PHE 1 53.666 7.376 -12.907 6 HB3 PHE 1 HB1 PHE 1 53.986 8.996 -12.241 7 HD1 PHE 1 HD1 PHE 1 55.224 10.680 -13.545 8 HD2 PHE 1 HD2 PHE 1 54.378 6.772 -15.170 9 HE1 PHE 1 HE1 PHE 1 55.815 11.499 -15.823 10 HE2 PHE 1 HE2 PHE 1 54.969 7.590 -17.447 11 HZ PHE 1 HZ PHE 1 55.759 9.933 -17.761 12 H LEU 2 HN LEU 2 57.196 6.918 -10.229 13 HA LEU 2 HA LEU 2 55.391 4.992 -9.020 14 HB2 LEU 2 HB2 LEU 2 58.032 5.180 -8.982 15 HB3 LEU 2 HB1 LEU 2 57.757 6.206 -7.560 16 HG LEU 2 HG LEU 2 56.767 3.340 -7.939 17 HD11 LEU 2 HD11 LEU 2 58.384 2.785 -6.200 18 HD12 LEU 2 HD12 LEU 2 58.815 4.500 -6.000 19 HD13 LEU 2 HD13 LEU 2 59.229 3.648 -7.506 20 HD21 LEU 2 HD21 LEU 2 56.343 5.408 -5.743 21 HD22 LEU 2 HD22 LEU 2 56.224 3.662 -5.416 22 HD23 LEU 2 HD23 LEU 2 55.125 4.423 -6.589 23 H GLY 3 HN GLY 3 53.470 6.193 -8.666 24 HA2 GLY 3 HA1 GLY 3 53.617 8.368 -6.617 25 HA3 GLY 3 HA2 GLY 3 52.231 7.976 -7.653 26 H ALA 4 HN ALA 4 54.089 7.031 -4.798 27 HA ALA 4 HA ALA 4 51.716 6.170 -3.417 28 HB1 ALA 4 HB1 ALA 4 53.509 4.001 -4.552 29 HB2 ALA 4 HB2 ALA 4 51.764 4.222 -4.821 30 HB3 ALA 4 HB3 ALA 4 52.364 3.739 -3.216 31 H LEU 5 HN LEU 5 54.720 4.342 -3.185 32 HA LEU 5 HA LEU 5 55.107 4.871 -0.439 33 HB2 LEU 5 HB2 LEU 5 56.996 4.052 -2.671 34 HB3 LEU 5 HB1 LEU 5 57.579 4.259 -1.002 35 HG LEU 5 HG LEU 5 55.852 2.630 -0.222 36 HD11 LEU 5 HD11 LEU 5 54.112 2.780 -1.842 37 HD12 LEU 5 HD12 LEU 5 54.836 1.183 -2.126 38 HD13 LEU 5 HD13 LEU 5 55.234 2.544 -3.202 39 HD21 LEU 5 HD21 LEU 5 58.153 1.891 -0.789 40 HD22 LEU 5 HD22 LEU 5 57.650 1.621 -2.476 41 HD23 LEU 5 HD23 LEU 5 56.961 0.625 -1.171 42 H ILE 6 HN ILE 6 55.480 6.976 -3.100 43 HA ILE 6 HA ILE 6 56.674 9.046 -1.288 44 HB ILE 6 HB ILE 6 58.400 9.682 -2.956 45 HG12 ILE 6 HG12 ILE 6 57.426 7.201 -4.452 46 HG13 ILE 6 HG11 ILE 6 57.294 8.884 -5.009 47 HG21 ILE 6 HG21 ILE 6 58.675 6.704 -2.393 48 HG22 ILE 6 HG22 ILE 6 58.831 7.944 -1.124 49 HG23 ILE 6 HG23 ILE 6 59.966 7.927 -2.494 50 HD11 ILE 6 HD1 ILE 6 59.784 7.173 -4.721 51 HD12 ILE 6 HD2 ILE 6 59.895 8.950 -4.759 52 HD13 ILE 6 HD3 ILE 6 59.207 8.069 -6.145 53 H LYS 7 HN LYS 7 57.249 10.742 -3.711 54 HA LYS 7 HA LYS 7 56.012 12.506 -4.580 55 HB2 LYS 7 HB2 LYS 7 54.962 10.550 -5.995 56 HB3 LYS 7 HB1 LYS 7 53.607 10.643 -4.844 57 HG2 LYS 7 HG2 LYS 7 53.363 13.076 -5.375 58 HG3 LYS 7 HG1 LYS 7 54.658 12.917 -6.585 59 HD2 LYS 7 HD2 LYS 7 53.289 11.141 -7.732 60 HD3 LYS 7 HD1 LYS 7 51.969 11.482 -6.588 61 HE2 LYS 7 HE2 LYS 7 53.241 13.508 -8.481 62 HE3 LYS 7 HE1 LYS 7 51.657 12.727 -8.711 63 HZ1 LYS 7 HZ1 LYS 7 52.440 14.480 -6.434 64 HZ2 LYS 7 HZ2 LYS 7 50.943 13.694 -6.595 65 HZ3 LYS 7 HZ3 LYS 7 51.399 14.896 -7.705 66 H GLY 8 HN GLY 8 56.292 11.423 -2.116 67 HA2 GLY 8 HA1 GLY 8 55.631 11.236 -0.005 68 HA3 GLY 8 HA2 GLY 8 55.328 13.005 -0.188 69 H ALA 9 HN ALA 9 53.888 9.800 -0.650 70 HA ALA 9 HA ALA 9 51.794 8.987 -0.194 71 HB1 ALA 9 HB1 ALA 9 50.423 10.005 1.429 72 HB2 ALA 9 HB2 ALA 9 50.976 11.643 1.016 73 HB3 ALA 9 HB3 ALA 9 52.062 10.529 1.879 74 H ILE 10 HN ILE 10 51.845 9.183 -2.580 75 HA ILE 10 HA ILE 10 51.013 9.974 -4.604 76 HB ILE 10 HB ILE 10 48.408 10.132 -4.581 77 HG12 ILE 10 HG12 ILE 10 48.877 9.136 -1.727 78 HG13 ILE 10 HG11 ILE 10 48.185 10.719 -2.165 79 HG21 ILE 10 HG21 ILE 10 49.778 8.083 -5.150 80 HG22 ILE 10 HG22 ILE 10 48.196 7.713 -4.434 81 HG23 ILE 10 HG23 ILE 10 49.668 7.599 -3.441 82 HD11 ILE 10 HD1 ILE 10 46.474 9.220 -3.564 83 HD12 ILE 10 HD2 ILE 10 46.239 9.457 -1.818 84 HD13 ILE 10 HD3 ILE 10 46.979 7.955 -2.420 85 H HIS 11 HN HIS 11 48.256 11.737 -3.866 86 HA HIS 11 HA HIS 11 49.666 14.232 -4.605 87 HB2 HIS 11 HB2 HIS 11 47.435 13.579 -5.574 88 HB3 HIS 11 HB1 HIS 11 46.730 13.792 -3.956 89 HD1 HIS 11 HD1 HIS 11 49.500 16.103 -4.957 90 HD2 HIS 11 HD2 HIS 11 45.298 16.124 -4.831 91 HE1 HIS 11 HE1 HIS 11 48.738 18.512 -5.336 92 H GLY 12 HN GLY 12 50.344 13.043 -2.049 93 HA2 GLY 12 HA1 GLY 12 50.729 13.815 0.105 94 HA3 GLY 12 HA2 GLY 12 50.129 15.403 -0.415 95 H GLY 13 HN GLY 13 48.408 12.294 -0.517 96 HA2 GLY 13 HA1 GLY 13 46.436 11.639 0.510 97 HA3 GLY 13 HA2 GLY 13 46.936 12.630 1.899 98 H ARG 14 HN ARG 14 45.825 13.075 -1.470 99 HA ARG 14 HA ARG 14 43.535 14.679 -0.533 100 HB2 ARG 14 HB2 ARG 14 45.277 16.399 -0.501 101 HB3 ARG 14 HB1 ARG 14 45.814 15.933 -2.129 102 HG2 ARG 14 HG2 ARG 14 44.378 17.984 -2.128 103 HG3 ARG 14 HG1 ARG 14 43.679 16.666 -3.092 104 HD2 ARG 14 HD2 ARG 14 42.129 17.979 -1.424 105 HD3 ARG 14 HD1 ARG 14 42.009 16.206 -1.481 106 HE ARG 14 HE ARG 14 43.944 17.126 0.499 107 HH11 ARG 14 HH11 ARG 14 41.228 15.284 0.028 108 HH12 ARG 14 HH12 ARG 14 40.500 15.610 1.566 109 HH21 ARG 14 HH21 ARG 14 42.750 18.115 2.397 110 HH22 ARG 14 HH22 ARG 14 41.362 17.213 2.908 111 H PHE 15 HN PHE 15 45.405 12.919 -2.827 112 HA PHE 15 HA PHE 15 44.173 13.392 -5.278 113 HB2 PHE 15 HB2 PHE 15 45.989 11.693 -4.760 114 HB3 PHE 15 HB1 PHE 15 44.702 10.608 -4.184 115 HD1 PHE 15 HD1 PHE 15 43.072 9.635 -5.734 116 HD2 PHE 15 HD2 PHE 15 46.171 12.289 -7.140 117 HE1 PHE 15 HE1 PHE 15 42.604 8.939 -8.080 118 HE2 PHE 15 HE2 PHE 15 45.704 11.593 -9.487 119 HZ PHE 15 HZ PHE 15 43.936 9.899 -9.954 120 H ILE 16 HN ILE 16 42.882 11.558 -2.499 121 HA ILE 16 HA ILE 16 40.281 11.298 -4.001 122 HB ILE 16 HB ILE 16 41.268 9.116 -3.509 123 HG12 ILE 16 HG12 ILE 16 38.898 9.681 -1.667 124 HG13 ILE 16 HG11 ILE 16 38.781 9.522 -3.435 125 HG21 ILE 16 HG21 ILE 16 42.424 10.103 -1.311 126 HG22 ILE 16 HG22 ILE 16 41.976 8.386 -1.411 127 HG23 ILE 16 HG23 ILE 16 40.936 9.521 -0.526 128 HD11 ILE 16 HD1 ILE 16 38.255 7.366 -2.435 129 HD12 ILE 16 HD2 ILE 16 39.750 7.404 -1.471 130 HD13 ILE 16 HD3 ILE 16 39.837 7.242 -3.241 131 H HIS 17 HN HIS 17 41.286 11.271 -0.476 132 HA HIS 17 HA HIS 17 39.667 13.678 -0.008 133 HB2 HIS 17 HB2 HIS 17 38.505 10.941 0.611 134 HB3 HIS 17 HB1 HIS 17 38.044 12.355 1.581 135 HD1 HIS 17 HD1 HIS 17 37.687 14.570 -0.386 136 HD2 HIS 17 HD2 HIS 17 36.489 10.628 -1.233 137 HE1 HIS 17 HE1 HIS 17 35.918 14.691 -2.225 138 H GLY 18 HN GLY 18 42.307 13.170 0.619 139 HA2 GLY 18 HA1 GLY 18 43.293 13.997 2.732 140 HA3 GLY 18 HA2 GLY 18 42.187 12.934 3.622 141 H MET 19 HN MET 19 42.376 10.765 1.846 142 HA MET 19 HA MET 19 44.443 9.582 0.959 143 HB2 MET 19 HB2 MET 19 46.186 10.233 2.395 144 HB3 MET 19 HB1 MET 19 45.234 9.906 3.843 145 HG2 MET 19 HG2 MET 19 45.439 7.518 3.535 146 HG3 MET 19 HG1 MET 19 46.089 7.739 1.893 147 HE1 MET 19 HE1 MET 19 48.637 7.251 1.588 148 HE2 MET 19 HE2 MET 19 47.792 6.055 2.598 149 HE3 MET 19 HE3 MET 19 49.417 6.617 3.058 150 H ILE 20 HN ILE 20 42.838 8.427 0.167 151 HA ILE 20 HA ILE 20 41.371 6.627 0.074 152 HB ILE 20 HB ILE 20 42.557 5.552 2.678 153 HG12 ILE 20 HG12 ILE 20 43.718 5.294 -0.139 154 HG13 ILE 20 HG11 ILE 20 44.447 6.200 1.202 155 HG21 ILE 20 HG21 ILE 20 41.715 4.025 0.178 156 HG22 ILE 20 HG22 ILE 20 40.534 4.491 1.420 157 HG23 ILE 20 HG23 ILE 20 41.888 3.422 1.842 158 HD11 ILE 20 HD1 ILE 20 44.364 3.972 2.525 159 HD12 ILE 20 HD2 ILE 20 45.571 4.106 1.224 160 HD13 ILE 20 HD3 ILE 20 44.066 3.200 0.948 161 H GLN 21 HN GLN 21 41.234 9.129 1.609 162 HA GLN 21 HA GLN 21 39.407 10.191 2.665 163 HB2 GLN 21 HB2 GLN 21 38.046 7.945 2.187 164 HB3 GLN 21 HB1 GLN 21 38.403 7.594 3.893 165 HG2 GLN 21 HG2 GLN 21 37.395 9.761 4.553 166 HG3 GLN 21 HG1 GLN 21 37.033 10.111 2.845 167 HE21 GLN 21 HE21 GLN 21 35.509 9.117 5.594 168 HE22 GLN 21 HE22 GLN 21 34.302 8.034 4.892 169 H ASN 22 HN ASN 22 42.044 9.570 3.318 170 HA ASN 22 HA ASN 22 43.523 9.325 5.061 171 HB2 ASN 22 HB2 ASN 22 43.016 11.602 5.308 172 HB3 ASN 22 HB1 ASN 22 41.479 11.260 6.156 173 HD21 ASN 22 HD21 ASN 22 45.073 10.943 6.475 174 HD22 ASN 22 HD22 ASN 22 45.062 10.938 8.241 175 H HIS 23 HN HIS 23 42.588 7.115 4.900 176 HA HIS 23 HA HIS 23 40.930 6.092 7.006 177 HB2 HIS 23 HB2 HIS 23 41.522 4.844 4.941 178 HB3 HIS 23 HB1 HIS 23 43.194 4.690 5.531 179 HD1 HIS 23 HD1 HIS 23 40.637 4.528 8.204 180 HD2 HIS 23 HD2 HIS 23 42.506 1.799 5.607 181 HE1 HIS 23 HE1 HIS 23 40.260 2.187 9.158 182 H HIS 24 HN HIS 24 44.483 5.632 6.705 183 HA HIS 24 HA HIS 24 44.794 4.875 9.453 184 HB2 HIS 24 HB2 HIS 24 46.406 4.416 7.548 185 HB3 HIS 24 HB1 HIS 24 46.914 6.119 7.659 186 HD1 HIS 24 HD1 HIS 24 47.331 2.779 9.247 187 HD2 HIS 24 HD2 HIS 24 48.088 6.786 10.278 188 HE1 HIS 24 HE1 HIS 24 48.936 2.764 11.234 Start of MODEL 85 1 H1 PHE 1 HT1 PHE 1 57.418 10.653 7.721 2 H2 PHE 1 HT2 PHE 1 57.772 12.309 7.851 3 H3 PHE 1 HT3 PHE 1 58.875 11.154 8.429 4 HA PHE 1 HA PHE 1 58.739 12.314 5.922 5 HB2 PHE 1 HB2 PHE 1 60.778 11.716 7.198 6 HB3 PHE 1 HB1 PHE 1 60.401 9.991 6.977 7 HD1 PHE 1 HD1 PHE 1 60.796 8.881 4.863 8 HD2 PHE 1 HD2 PHE 1 61.305 13.153 5.214 9 HE1 PHE 1 HE1 PHE 1 61.904 8.934 2.632 10 HE2 PHE 1 HE2 PHE 1 62.412 13.206 2.983 11 HZ PHE 1 HZ PHE 1 62.731 11.091 1.702 12 H LEU 2 HN LEU 2 57.019 9.646 7.036 13 HA LEU 2 HA LEU 2 55.918 7.911 5.954 14 HB2 LEU 2 HB2 LEU 2 56.209 9.515 3.392 15 HB3 LEU 2 HB1 LEU 2 54.871 8.453 3.896 16 HG LEU 2 HG LEU 2 55.636 11.130 5.148 17 HD11 LEU 2 HD11 LEU 2 54.440 11.160 2.919 18 HD12 LEU 2 HD12 LEU 2 53.517 11.905 4.247 19 HD13 LEU 2 HD13 LEU 2 53.104 10.267 3.684 20 HD21 LEU 2 HD21 LEU 2 53.590 9.004 5.914 21 HD22 LEU 2 HD22 LEU 2 53.423 10.703 6.418 22 HD23 LEU 2 HD23 LEU 2 54.834 9.757 6.940 23 H GLY 3 HN GLY 3 56.102 7.053 3.221 24 HA2 GLY 3 HA1 GLY 3 58.730 6.594 2.308 25 HA3 GLY 3 HA2 GLY 3 58.363 5.298 3.462 26 H ALA 4 HN ALA 4 55.499 6.361 2.093 27 HA ALA 4 HA ALA 4 55.037 3.906 0.710 28 HB1 ALA 4 HB1 ALA 4 52.999 4.908 -0.044 29 HB2 ALA 4 HB2 ALA 4 53.657 6.550 0.163 30 HB3 ALA 4 HB3 ALA 4 53.312 5.541 1.589 31 H LEU 5 HN LEU 5 53.802 5.131 -1.701 32 HA LEU 5 HA LEU 5 56.132 4.838 -3.452 33 HB2 LEU 5 HB2 LEU 5 53.361 5.762 -4.285 34 HB3 LEU 5 HB1 LEU 5 54.570 4.870 -5.240 35 HG LEU 5 HG LEU 5 53.053 3.812 -2.812 36 HD11 LEU 5 HD11 LEU 5 51.981 2.321 -4.436 37 HD12 LEU 5 HD12 LEU 5 52.958 3.013 -5.754 38 HD13 LEU 5 HD13 LEU 5 51.736 4.013 -4.931 39 HD21 LEU 5 HD21 LEU 5 55.214 2.781 -2.770 40 HD22 LEU 5 HD22 LEU 5 55.271 2.644 -4.544 41 HD23 LEU 5 HD23 LEU 5 54.165 1.613 -3.606 42 H ILE 6 HN ILE 6 55.896 7.171 -1.516 43 HA ILE 6 HA ILE 6 56.212 9.494 -1.506 44 HB ILE 6 HB ILE 6 57.582 9.278 -4.230 45 HG12 ILE 6 HG12 ILE 6 58.566 7.996 -1.639 46 HG13 ILE 6 HG11 ILE 6 58.187 7.158 -3.161 47 HG21 ILE 6 HG21 ILE 6 57.494 11.355 -2.648 48 HG22 ILE 6 HG22 ILE 6 59.078 10.872 -3.297 49 HG23 ILE 6 HG23 ILE 6 58.635 10.452 -1.625 50 HD11 ILE 6 HD1 ILE 6 60.469 9.084 -2.594 51 HD12 ILE 6 HD2 ILE 6 59.969 8.675 -4.253 52 HD13 ILE 6 HD3 ILE 6 60.562 7.401 -3.160 53 H LYS 7 HN LYS 7 56.634 10.991 -4.178 54 HA LYS 7 HA LYS 7 55.174 12.504 -5.198 55 HB2 LYS 7 HB2 LYS 7 53.039 10.322 -5.248 56 HB3 LYS 7 HB1 LYS 7 53.272 11.655 -6.403 57 HG2 LYS 7 HG2 LYS 7 55.174 9.301 -6.011 58 HG3 LYS 7 HG1 LYS 7 54.020 9.485 -7.352 59 HD2 LYS 7 HD2 LYS 7 55.176 11.715 -7.870 60 HD3 LYS 7 HD1 LYS 7 56.443 11.217 -6.721 61 HE2 LYS 7 HE2 LYS 7 57.093 10.596 -9.012 62 HE3 LYS 7 HE1 LYS 7 56.796 9.133 -8.042 63 HZ1 LYS 7 HZ1 LYS 7 55.762 9.174 -10.318 64 HZ2 LYS 7 HZ2 LYS 7 54.715 10.385 -9.754 65 HZ3 LYS 7 HZ3 LYS 7 54.696 8.843 -9.042 66 H GLY 8 HN GLY 8 55.569 11.748 -2.629 67 HA2 GLY 8 HA1 GLY 8 54.902 11.689 -0.510 68 HA3 GLY 8 HA2 GLY 8 54.365 13.374 -0.876 69 H ALA 9 HN ALA 9 53.465 10.025 -0.452 70 HA ALA 9 HA ALA 9 51.440 8.992 -0.098 71 HB1 ALA 9 HB1 ALA 9 51.543 10.695 1.805 72 HB2 ALA 9 HB2 ALA 9 49.931 10.064 1.391 73 HB3 ALA 9 HB3 ALA 9 50.421 11.684 0.845 74 H ILE 10 HN ILE 10 51.895 9.925 -2.703 75 HA ILE 10 HA ILE 10 50.720 9.987 -4.670 76 HB ILE 10 HB ILE 10 48.763 8.941 -2.925 77 HG12 ILE 10 HG12 ILE 10 48.537 9.425 -5.930 78 HG13 ILE 10 HG11 ILE 10 49.407 8.077 -5.160 79 HG21 ILE 10 HG21 ILE 10 47.720 11.289 -2.860 80 HG22 ILE 10 HG22 ILE 10 46.652 9.981 -3.397 81 HG23 ILE 10 HG23 ILE 10 47.378 11.079 -4.592 82 HD11 ILE 10 HD1 ILE 10 47.100 7.601 -3.969 83 HD12 ILE 10 HD2 ILE 10 47.318 7.106 -5.664 84 HD13 ILE 10 HD3 ILE 10 46.422 8.594 -5.283 85 H HIS 11 HN HIS 11 49.717 12.251 -2.121 86 HA HIS 11 HA HIS 11 50.265 14.495 -3.889 87 HB2 HIS 11 HB2 HIS 11 48.030 13.797 -4.748 88 HB3 HIS 11 HB1 HIS 11 47.359 14.034 -3.116 89 HD1 HIS 11 HD1 HIS 11 46.383 16.287 -2.714 90 HD2 HIS 11 HD2 HIS 11 49.350 16.366 -5.693 91 HE1 HIS 11 HE1 HIS 11 46.543 18.690 -3.568 92 H GLY 12 HN GLY 12 49.930 13.050 -0.920 93 HA2 GLY 12 HA1 GLY 12 50.643 14.016 1.120 94 HA3 GLY 12 HA2 GLY 12 50.400 15.639 0.454 95 H GLY 13 HN GLY 13 48.116 12.893 0.528 96 HA2 GLY 13 HA1 GLY 13 46.638 13.461 2.795 97 HA3 GLY 13 HA2 GLY 13 46.032 14.629 1.609 98 H ARG 14 HN ARG 14 47.135 11.850 0.012 99 HA ARG 14 HA ARG 14 45.869 10.211 -1.100 100 HB2 ARG 14 HB2 ARG 14 44.102 10.158 1.325 101 HB3 ARG 14 HB1 ARG 14 44.579 8.817 0.270 102 HG2 ARG 14 HG2 ARG 14 46.919 9.032 1.070 103 HG3 ARG 14 HG1 ARG 14 46.410 10.327 2.178 104 HD2 ARG 14 HD2 ARG 14 45.054 7.610 2.238 105 HD3 ARG 14 HD1 ARG 14 46.565 7.908 3.129 106 HE ARG 14 HE ARG 14 43.928 8.944 3.834 107 HH11 ARG 14 HH11 ARG 14 44.314 11.337 4.500 108 HH12 ARG 14 HH12 ARG 14 45.584 11.505 5.665 109 HH21 ARG 14 HH21 ARG 14 46.877 8.337 5.105 110 HH22 ARG 14 HH22 ARG 14 47.034 9.805 6.009 111 H PHE 15 HN PHE 15 45.148 13.151 -0.950 112 HA PHE 15 HA PHE 15 43.595 14.531 -1.923 113 HB2 PHE 15 HB2 PHE 15 43.758 12.724 -3.740 114 HB3 PHE 15 HB1 PHE 15 42.253 12.062 -3.073 115 HD1 PHE 15 HD1 PHE 15 43.798 15.181 -4.466 116 HD2 PHE 15 HD2 PHE 15 40.138 13.055 -3.622 117 HE1 PHE 15 HE1 PHE 15 42.509 16.897 -5.731 118 HE2 PHE 15 HE2 PHE 15 38.850 14.769 -4.890 119 HZ PHE 15 HZ PHE 15 40.045 16.649 -6.006 120 H ILE 16 HN ILE 16 43.269 13.736 0.681 121 HA ILE 16 HA ILE 16 41.551 14.574 2.141 122 HB ILE 16 HB ILE 16 39.528 13.161 0.338 123 HG12 ILE 16 HG12 ILE 16 39.491 16.126 1.025 124 HG13 ILE 16 HG11 ILE 16 40.633 15.588 -0.213 125 HG21 ILE 16 HG21 ILE 16 38.739 12.918 2.566 126 HG22 ILE 16 HG22 ILE 16 37.899 14.354 1.940 127 HG23 ILE 16 HG23 ILE 16 39.294 14.544 3.029 128 HD11 ILE 16 HD1 ILE 16 38.573 16.255 -1.306 129 HD12 ILE 16 HD2 ILE 16 37.609 15.212 -0.236 130 HD13 ILE 16 HD3 ILE 16 38.715 14.488 -1.429 131 H HIS 17 HN HIS 17 41.724 11.327 0.706 132 HA HIS 17 HA HIS 17 42.605 9.936 2.936 133 HB2 HIS 17 HB2 HIS 17 39.710 10.627 3.277 134 HB3 HIS 17 HB1 HIS 17 40.112 8.936 3.609 135 HD1 HIS 17 HD1 HIS 17 42.897 11.290 4.326 136 HD2 HIS 17 HD2 HIS 17 39.659 9.596 6.410 137 HE1 HIS 17 HE1 HIS 17 43.306 11.679 6.817 138 H GLY 18 HN GLY 18 42.854 9.673 0.150 139 HA2 GLY 18 HA1 GLY 18 43.151 7.442 -0.905 140 HA3 GLY 18 HA2 GLY 18 41.532 6.997 -0.321 141 H MET 19 HN MET 19 40.304 9.371 -0.696 142 HA MET 19 HA MET 19 40.303 10.823 -2.859 143 HB2 MET 19 HB2 MET 19 39.883 8.081 -3.902 144 HB3 MET 19 HB1 MET 19 38.700 9.256 -4.489 145 HG2 MET 19 HG2 MET 19 40.348 10.573 -5.549 146 HG3 MET 19 HG1 MET 19 41.666 9.905 -4.559 147 HE1 MET 19 HE1 MET 19 39.988 9.775 -8.010 148 HE2 MET 19 HE2 MET 19 38.800 9.061 -6.893 149 HE3 MET 19 HE3 MET 19 39.533 8.062 -8.171 150 H ILE 20 HN ILE 20 39.251 12.004 -1.378 151 HA ILE 20 HA ILE 20 37.315 12.871 -0.403 152 HB ILE 20 HB ILE 20 35.613 11.140 -2.253 153 HG12 ILE 20 HG12 ILE 20 37.062 13.740 -2.951 154 HG13 ILE 20 HG11 ILE 20 37.352 12.148 -3.685 155 HG21 ILE 20 HG21 ILE 20 34.672 12.696 -0.385 156 HG22 ILE 20 HG22 ILE 20 33.995 12.873 -2.016 157 HG23 ILE 20 HG23 ILE 20 35.198 14.042 -1.420 158 HD11 ILE 20 HD1 ILE 20 34.900 13.919 -3.936 159 HD12 ILE 20 HD2 ILE 20 34.837 12.181 -4.322 160 HD13 ILE 20 HD3 ILE 20 35.927 13.258 -5.228 161 H GLN 21 HN GLN 21 38.689 10.267 -0.026 162 HA GLN 21 HA GLN 21 38.575 8.797 1.843 163 HB2 GLN 21 HB2 GLN 21 36.443 10.154 2.656 164 HB3 GLN 21 HB1 GLN 21 35.533 8.846 1.865 165 HG2 GLN 21 HG2 GLN 21 36.769 7.173 3.227 166 HG3 GLN 21 HG1 GLN 21 37.649 8.492 4.036 167 HE21 GLN 21 HE21 GLN 21 35.659 6.467 5.169 168 HE22 GLN 21 HE22 GLN 21 34.413 7.467 5.924 169 H ASN 22 HN ASN 22 38.641 8.634 -0.933 170 HA ASN 22 HA ASN 22 38.184 7.267 -2.731 171 HB2 ASN 22 HB2 ASN 22 38.609 4.842 -2.211 172 HB3 ASN 22 HB1 ASN 22 39.854 5.992 -1.639 173 HD21 ASN 22 HD21 ASN 22 40.460 5.742 0.514 174 HD22 ASN 22 HD22 ASN 22 39.458 4.981 1.753 175 H HIS 23 HN HIS 23 35.992 8.380 -2.161 176 HA HIS 23 HA HIS 23 33.671 8.170 -2.271 177 HB2 HIS 23 HB2 HIS 23 34.390 5.502 -3.550 178 HB3 HIS 23 HB1 HIS 23 32.806 6.308 -3.649 179 HD1 HIS 23 HD1 HIS 23 33.435 9.169 -4.252 180 HD2 HIS 23 HD2 HIS 23 35.669 6.028 -5.933 181 HE1 HIS 23 HE1 HIS 23 34.534 10.068 -6.376 182 H HIS 24 HN HIS 24 33.282 8.111 -0.037 183 HA HIS 24 HA HIS 24 32.547 7.168 1.953 184 HB2 HIS 24 HB2 HIS 24 31.498 4.954 0.148 185 HB3 HIS 24 HB1 HIS 24 30.893 5.406 1.761 186 HD1 HIS 24 HD1 HIS 24 29.598 7.683 1.993 187 HD2 HIS 24 HD2 HIS 24 30.697 6.703 -1.946 188 HE1 HIS 24 HE1 HIS 24 28.262 9.199 0.431 Start of MODEL 86 1 H1 PHE 1 HT1 PHE 1 63.239 5.832 0.212 2 H2 PHE 1 HT2 PHE 1 62.887 7.132 1.247 3 H3 PHE 1 HT3 PHE 1 61.676 6.487 0.245 4 HA PHE 1 HA PHE 1 63.045 4.985 2.381 5 HB2 PHE 1 HB2 PHE 1 60.395 6.482 2.370 6 HB3 PHE 1 HB1 PHE 1 60.849 5.272 3.595 7 HD1 PHE 1 HD1 PHE 1 63.001 5.630 4.934 8 HD2 PHE 1 HD2 PHE 1 61.208 8.727 2.521 9 HE1 PHE 1 HE1 PHE 1 64.300 7.352 6.180 10 HE2 PHE 1 HE2 PHE 1 62.508 10.450 3.768 11 HZ PHE 1 HZ PHE 1 64.024 9.765 5.623 12 H LEU 2 HN LEU 2 59.657 5.119 1.343 13 HA LEU 2 HA LEU 2 59.548 2.234 1.079 14 HB2 LEU 2 HB2 LEU 2 57.537 4.225 -0.029 15 HB3 LEU 2 HB1 LEU 2 57.250 2.551 0.498 16 HG LEU 2 HG LEU 2 58.119 4.847 2.316 17 HD11 LEU 2 HD11 LEU 2 55.802 5.105 1.505 18 HD12 LEU 2 HD12 LEU 2 55.813 4.647 3.226 19 HD13 LEU 2 HD13 LEU 2 55.437 3.430 1.982 20 HD21 LEU 2 HD21 LEU 2 58.945 2.816 3.272 21 HD22 LEU 2 HD22 LEU 2 57.504 1.897 2.776 22 HD23 LEU 2 HD23 LEU 2 57.391 3.093 4.090 23 H GLY 3 HN GLY 3 60.504 4.792 -1.015 24 HA2 GLY 3 HA1 GLY 3 61.037 4.831 -3.267 25 HA3 GLY 3 HA2 GLY 3 61.422 3.111 -3.064 26 H ALA 4 HN ALA 4 58.238 4.627 -2.649 27 HA ALA 4 HA ALA 4 57.296 3.848 -5.292 28 HB1 ALA 4 HB1 ALA 4 55.669 2.140 -4.469 29 HB2 ALA 4 HB2 ALA 4 56.495 2.166 -2.893 30 HB3 ALA 4 HB3 ALA 4 57.365 1.617 -4.345 31 H LEU 5 HN LEU 5 55.430 3.530 -2.292 32 HA LEU 5 HA LEU 5 53.570 5.589 -3.195 33 HB2 LEU 5 HB2 LEU 5 53.717 4.402 -0.404 34 HB3 LEU 5 HB1 LEU 5 52.294 5.032 -1.268 35 HG LEU 5 HG LEU 5 53.884 2.524 -1.968 36 HD11 LEU 5 HD11 LEU 5 50.981 2.862 -1.101 37 HD12 LEU 5 HD12 LEU 5 52.303 2.431 0.009 38 HD13 LEU 5 HD13 LEU 5 51.867 1.335 -1.325 39 HD21 LEU 5 HD21 LEU 5 51.916 2.249 -3.636 40 HD22 LEU 5 HD22 LEU 5 53.166 3.440 -4.058 41 HD23 LEU 5 HD23 LEU 5 51.612 3.984 -3.380 42 H ILE 6 HN ILE 6 55.163 7.330 -3.431 43 HA ILE 6 HA ILE 6 55.529 8.780 -0.782 44 HB ILE 6 HB ILE 6 57.690 9.659 -1.634 45 HG12 ILE 6 HG12 ILE 6 57.168 7.803 -4.006 46 HG13 ILE 6 HG11 ILE 6 57.235 9.579 -4.056 47 HG21 ILE 6 HG21 ILE 6 57.741 6.632 -1.927 48 HG22 ILE 6 HG22 ILE 6 57.508 7.437 -0.358 49 HG23 ILE 6 HG23 ILE 6 59.010 7.695 -1.273 50 HD11 ILE 6 HD1 ILE 6 59.499 7.613 -3.581 51 HD12 ILE 6 HD2 ILE 6 59.639 9.317 -3.084 52 HD13 ILE 6 HD3 ILE 6 59.385 8.906 -4.797 53 H LYS 7 HN LYS 7 56.835 11.016 -2.332 54 HA LYS 7 HA LYS 7 55.927 13.068 -2.963 55 HB2 LYS 7 HB2 LYS 7 55.387 11.744 -5.147 56 HB3 LYS 7 HB1 LYS 7 53.764 11.510 -4.464 57 HG2 LYS 7 HG2 LYS 7 53.431 13.461 -5.728 58 HG3 LYS 7 HG1 LYS 7 53.821 14.147 -4.137 59 HD2 LYS 7 HD2 LYS 7 55.258 15.394 -5.509 60 HD3 LYS 7 HD1 LYS 7 56.335 14.058 -5.054 61 HE2 LYS 7 HE2 LYS 7 55.783 12.883 -7.165 62 HE3 LYS 7 HE1 LYS 7 54.672 14.199 -7.611 63 HZ1 LYS 7 HZ1 LYS 7 57.306 15.108 -6.880 64 HZ2 LYS 7 HZ2 LYS 7 56.359 15.493 -8.237 65 HZ3 LYS 7 HZ3 LYS 7 57.309 14.085 -8.233 66 H GLY 8 HN GLY 8 55.434 11.327 -0.951 67 HA2 GLY 8 HA1 GLY 8 54.152 10.621 0.715 68 HA3 GLY 8 HA2 GLY 8 53.880 12.389 0.960 69 H ALA 9 HN ALA 9 52.592 9.352 -0.022 70 HA ALA 9 HA ALA 9 50.530 8.661 -0.790 71 HB1 ALA 9 HB1 ALA 9 48.620 9.696 0.532 72 HB2 ALA 9 HB2 ALA 9 49.828 10.775 1.269 73 HB3 ALA 9 HB3 ALA 9 49.947 9.015 1.502 74 H ILE 10 HN ILE 10 51.634 10.202 -2.663 75 HA ILE 10 HA ILE 10 51.305 11.858 -4.263 76 HB ILE 10 HB ILE 10 48.971 11.510 -5.454 77 HG12 ILE 10 HG12 ILE 10 48.084 10.246 -3.322 78 HG13 ILE 10 HG11 ILE 10 47.688 9.616 -4.922 79 HG21 ILE 10 HG21 ILE 10 51.182 9.435 -5.262 80 HG22 ILE 10 HG22 ILE 10 50.963 10.717 -6.474 81 HG23 ILE 10 HG23 ILE 10 49.855 9.326 -6.443 82 HD11 ILE 10 HD1 ILE 10 49.245 7.828 -4.741 83 HD12 ILE 10 HD2 ILE 10 48.479 7.914 -3.142 84 HD13 ILE 10 HD3 ILE 10 50.103 8.581 -3.381 85 H HIS 11 HN HIS 11 47.841 11.932 -3.712 86 HA HIS 11 HA HIS 11 47.751 14.747 -3.644 87 HB2 HIS 11 HB2 HIS 11 45.749 12.971 -2.220 88 HB3 HIS 11 HB1 HIS 11 45.473 14.537 -3.023 89 HD1 HIS 11 HD1 HIS 11 46.899 14.114 -5.703 90 HD2 HIS 11 HD2 HIS 11 44.351 11.276 -3.934 91 HE1 HIS 11 HE1 HIS 11 46.086 12.558 -7.558 92 H GLY 12 HN GLY 12 49.178 12.776 -1.310 93 HA2 GLY 12 HA1 GLY 12 48.260 14.230 1.053 94 HA3 GLY 12 HA2 GLY 12 49.640 13.118 0.957 95 H GLY 13 HN GLY 13 49.760 15.340 -1.529 96 HA2 GLY 13 HA1 GLY 13 50.889 17.615 -0.166 97 HA3 GLY 13 HA2 GLY 13 52.167 16.542 -0.774 98 H ARG 14 HN ARG 14 50.370 15.643 -3.011 99 HA ARG 14 HA ARG 14 51.262 17.595 -4.945 100 HB2 ARG 14 HB2 ARG 14 50.773 15.047 -5.221 101 HB3 ARG 14 HB1 ARG 14 49.080 15.537 -5.442 102 HG2 ARG 14 HG2 ARG 14 51.431 16.606 -7.081 103 HG3 ARG 14 HG1 ARG 14 50.341 15.307 -7.606 104 HD2 ARG 14 HD2 ARG 14 48.445 17.124 -7.060 105 HD3 ARG 14 HD1 ARG 14 49.789 18.260 -7.329 106 HE ARG 14 HE ARG 14 49.861 16.471 -9.491 107 HH11 ARG 14 HH11 ARG 14 48.078 19.093 -8.199 108 HH12 ARG 14 HH12 ARG 14 47.091 19.302 -9.606 109 HH21 ARG 14 HH21 ARG 14 48.400 16.551 -11.259 110 HH22 ARG 14 HH22 ARG 14 47.272 17.863 -11.339 111 H PHE 15 HN PHE 15 47.992 16.675 -3.753 112 HA PHE 15 HA PHE 15 46.368 18.381 -5.164 113 HB2 PHE 15 HB2 PHE 15 45.547 16.870 -3.421 114 HB3 PHE 15 HB1 PHE 15 46.272 17.895 -2.161 115 HD1 PHE 15 HD1 PHE 15 43.776 17.897 -4.966 116 HD2 PHE 15 HD2 PHE 15 45.102 19.805 -1.327 117 HE1 PHE 15 HE1 PHE 15 41.731 19.321 -4.967 118 HE2 PHE 15 HE2 PHE 15 43.056 21.228 -1.328 119 HZ PHE 15 HZ PHE 15 41.397 21.023 -3.177 120 H ILE 16 HN ILE 16 47.392 20.261 -5.840 121 HA ILE 16 HA ILE 16 48.361 22.391 -5.606 122 HB ILE 16 HB ILE 16 46.684 23.991 -4.601 123 HG12 ILE 16 HG12 ILE 16 45.040 21.452 -4.141 124 HG13 ILE 16 HG11 ILE 16 45.867 22.327 -2.839 125 HG21 ILE 16 HG21 ILE 16 46.612 23.055 -6.987 126 HG22 ILE 16 HG22 ILE 16 45.067 23.657 -6.354 127 HG23 ILE 16 HG23 ILE 16 45.386 21.907 -6.410 128 HD11 ILE 16 HD1 ILE 16 44.575 24.421 -3.671 129 HD12 ILE 16 HD2 ILE 16 43.648 23.173 -2.807 130 HD13 ILE 16 HD3 ILE 16 43.566 23.270 -4.580 131 H HIS 17 HN HIS 17 49.967 21.156 -4.034 132 HA HIS 17 HA HIS 17 50.476 23.071 -1.887 133 HB2 HIS 17 HB2 HIS 17 48.814 21.611 -0.759 134 HB3 HIS 17 HB1 HIS 17 49.825 20.193 -1.126 135 HD1 HIS 17 HD1 HIS 17 50.357 23.655 0.494 136 HD2 HIS 17 HD2 HIS 17 51.438 19.626 1.029 137 HE1 HIS 17 HE1 HIS 17 51.856 23.535 2.560 138 H GLY 18 HN GLY 18 51.189 20.513 -3.996 139 HA2 GLY 18 HA1 GLY 18 54.101 20.782 -3.399 140 HA3 GLY 18 HA2 GLY 18 53.379 19.156 -3.424 141 H MET 19 HN MET 19 52.846 22.087 -5.354 142 HA MET 19 HA MET 19 54.124 21.204 -7.779 143 HB2 MET 19 HB2 MET 19 52.330 19.588 -7.649 144 HB3 MET 19 HB1 MET 19 51.179 20.910 -7.554 145 HG2 MET 19 HG2 MET 19 51.815 21.681 -9.798 146 HG3 MET 19 HG1 MET 19 53.091 20.445 -9.879 147 HE1 MET 19 HE1 MET 19 49.976 19.675 -12.356 148 HE2 MET 19 HE2 MET 19 51.578 20.443 -12.246 149 HE3 MET 19 HE3 MET 19 50.149 21.265 -11.575 150 H ILE 20 HN ILE 20 51.029 22.734 -6.734 151 HA ILE 20 HA ILE 20 51.552 25.098 -8.408 152 HB ILE 20 HB ILE 20 49.616 24.489 -6.115 153 HG12 ILE 20 HG12 ILE 20 47.926 24.804 -7.841 154 HG13 ILE 20 HG11 ILE 20 49.143 25.406 -8.987 155 HG21 ILE 20 HG21 ILE 20 48.675 26.826 -6.614 156 HG22 ILE 20 HG22 ILE 20 50.209 27.164 -7.448 157 HG23 ILE 20 HG23 ILE 20 50.205 26.788 -5.708 158 HD11 ILE 20 HD1 ILE 20 50.171 23.263 -9.198 159 HD12 ILE 20 HD2 ILE 20 48.421 22.943 -9.262 160 HD13 ILE 20 HD3 ILE 20 49.329 22.627 -7.764 161 H GLN 21 HN GLN 21 52.794 23.524 -5.841 162 HA GLN 21 HA GLN 21 54.252 25.887 -4.760 163 HB2 GLN 21 HB2 GLN 21 52.612 24.755 -3.145 164 HB3 GLN 21 HB1 GLN 21 53.625 23.300 -3.281 165 HG2 GLN 21 HG2 GLN 21 54.405 24.493 -1.342 166 HG3 GLN 21 HG1 GLN 21 55.613 24.764 -2.620 167 HE21 GLN 21 HE21 GLN 21 52.449 26.284 -1.628 168 HE22 GLN 21 HE22 GLN 21 53.061 27.937 -1.746 169 H ASN 22 HN ASN 22 54.217 22.534 -6.216 170 HA ASN 22 HA ASN 22 57.281 22.647 -5.920 171 HB2 ASN 22 HB2 ASN 22 55.949 20.678 -4.847 172 HB3 ASN 22 HB1 ASN 22 55.756 20.102 -6.516 173 HD21 ASN 22 HD21 ASN 22 58.212 20.937 -4.023 174 HD22 ASN 22 HD22 ASN 22 59.502 19.987 -4.766 175 H HIS 23 HN HIS 23 55.428 23.854 -8.008 176 HA HIS 23 HA HIS 23 55.319 23.988 -10.331 177 HB2 HIS 23 HB2 HIS 23 58.197 23.019 -10.150 178 HB3 HIS 23 HB1 HIS 23 57.470 24.004 -11.441 179 HD1 HIS 23 HD1 HIS 23 55.780 25.825 -9.364 180 HD2 HIS 23 HD2 HIS 23 59.932 25.164 -9.375 181 HE1 HIS 23 HE1 HIS 23 56.862 27.759 -8.094 182 H HIS 24 HN HIS 24 56.366 22.700 -12.448 183 HA HIS 24 HA HIS 24 55.965 20.834 -13.768 184 HB2 HIS 24 HB2 HIS 24 57.863 19.971 -12.432 185 HB3 HIS 24 HB1 HIS 24 56.718 19.353 -11.219 186 HD1 HIS 24 HD1 HIS 24 55.197 19.033 -14.495 187 HD2 HIS 24 HD2 HIS 24 57.911 16.764 -12.221 188 HE1 HIS 24 HE1 HIS 24 55.272 16.692 -15.514 Start of MODEL 87 1 H1 PHE 1 HT1 PHE 1 58.684 -2.265 -4.114 2 H2 PHE 1 HT2 PHE 1 59.369 -3.433 -5.140 3 H3 PHE 1 HT3 PHE 1 57.756 -3.587 -4.626 4 HA PHE 1 HA PHE 1 58.926 -1.880 -6.663 5 HB2 PHE 1 HB2 PHE 1 57.620 -3.936 -7.193 6 HB3 PHE 1 HB1 PHE 1 56.214 -3.231 -6.360 7 HD1 PHE 1 HD1 PHE 1 58.520 -2.877 -9.265 8 HD2 PHE 1 HD2 PHE 1 54.912 -1.452 -7.373 9 HE1 PHE 1 HE1 PHE 1 57.927 -1.627 -11.339 10 HE2 PHE 1 HE2 PHE 1 54.318 -0.203 -9.446 11 HZ PHE 1 HZ PHE 1 55.788 -0.353 -11.453 12 H LEU 2 HN LEU 2 58.581 0.234 -6.791 13 HA LEU 2 HA LEU 2 56.799 1.512 -4.789 14 HB2 LEU 2 HB2 LEU 2 57.739 3.636 -5.969 15 HB3 LEU 2 HB1 LEU 2 58.848 2.662 -4.981 16 HG LEU 2 HG LEU 2 58.630 1.908 -7.904 17 HD11 LEU 2 HD11 LEU 2 60.115 4.390 -6.934 18 HD12 LEU 2 HD12 LEU 2 58.725 4.363 -8.047 19 HD13 LEU 2 HD13 LEU 2 60.280 3.653 -8.545 20 HD21 LEU 2 HD21 LEU 2 60.147 0.821 -6.102 21 HD22 LEU 2 HD22 LEU 2 61.110 2.313 -6.175 22 HD23 LEU 2 HD23 LEU 2 60.927 1.300 -7.627 23 H GLY 3 HN GLY 3 55.239 3.144 -5.405 24 HA2 GLY 3 HA1 GLY 3 54.340 3.498 -8.090 25 HA3 GLY 3 HA2 GLY 3 53.386 2.203 -7.338 26 H ALA 4 HN ALA 4 54.246 3.976 -4.776 27 HA ALA 4 HA ALA 4 52.594 6.333 -5.035 28 HB1 ALA 4 HB1 ALA 4 50.817 4.583 -5.074 29 HB2 ALA 4 HB2 ALA 4 50.704 5.660 -3.661 30 HB3 ALA 4 HB3 ALA 4 51.376 4.021 -3.481 31 H LEU 5 HN LEU 5 55.031 4.697 -3.777 32 HA LEU 5 HA LEU 5 54.861 5.173 -0.952 33 HB2 LEU 5 HB2 LEU 5 56.569 3.802 -2.551 34 HB3 LEU 5 HB1 LEU 5 57.542 5.271 -2.337 35 HG LEU 5 HG LEU 5 56.402 3.512 -0.113 36 HD11 LEU 5 HD11 LEU 5 58.340 2.554 -1.346 37 HD12 LEU 5 HD12 LEU 5 58.772 2.989 0.324 38 HD13 LEU 5 HD13 LEU 5 59.266 4.039 -1.025 39 HD21 LEU 5 HD21 LEU 5 57.898 6.165 -0.097 40 HD22 LEU 5 HD22 LEU 5 57.977 5.049 1.289 41 HD23 LEU 5 HD23 LEU 5 56.413 5.718 0.775 42 H ILE 6 HN ILE 6 55.962 7.133 -3.704 43 HA ILE 6 HA ILE 6 56.393 9.470 -1.794 44 HB ILE 6 HB ILE 6 57.426 9.465 -4.672 45 HG12 ILE 6 HG12 ILE 6 58.747 8.040 -2.313 46 HG13 ILE 6 HG11 ILE 6 58.182 7.289 -3.824 47 HG21 ILE 6 HG21 ILE 6 58.791 10.482 -2.148 48 HG22 ILE 6 HG22 ILE 6 57.499 11.423 -2.928 49 HG23 ILE 6 HG23 ILE 6 58.985 11.041 -3.826 50 HD11 ILE 6 HD1 ILE 6 60.482 9.243 -3.451 51 HD12 ILE 6 HD2 ILE 6 59.782 8.889 -5.049 52 HD13 ILE 6 HD3 ILE 6 60.541 7.588 -4.100 53 H LYS 7 HN LYS 7 56.476 11.151 -4.378 54 HA LYS 7 HA LYS 7 54.892 12.701 -5.109 55 HB2 LYS 7 HB2 LYS 7 52.847 10.428 -5.076 56 HB3 LYS 7 HB1 LYS 7 52.815 11.898 -6.080 57 HG2 LYS 7 HG2 LYS 7 54.921 11.107 -7.208 58 HG3 LYS 7 HG1 LYS 7 54.796 9.590 -6.285 59 HD2 LYS 7 HD2 LYS 7 52.458 9.311 -7.252 60 HD3 LYS 7 HD1 LYS 7 52.814 10.687 -8.323 61 HE2 LYS 7 HE2 LYS 7 54.510 8.159 -8.153 62 HE3 LYS 7 HE1 LYS 7 53.266 8.453 -9.390 63 HZ1 LYS 7 HZ1 LYS 7 55.415 10.428 -8.920 64 HZ2 LYS 7 HZ2 LYS 7 54.476 10.175 -10.314 65 HZ3 LYS 7 HZ3 LYS 7 55.698 9.071 -9.897 66 H GLY 8 HN GLY 8 55.591 11.779 -2.662 67 HA2 GLY 8 HA1 GLY 8 55.154 11.541 -0.489 68 HA3 GLY 8 HA2 GLY 8 54.572 13.242 -0.665 69 H ALA 9 HN ALA 9 53.640 9.829 -0.810 70 HA ALA 9 HA ALA 9 51.678 8.745 -0.291 71 HB1 ALA 9 HB1 ALA 9 51.978 10.161 1.825 72 HB2 ALA 9 HB2 ALA 9 50.329 9.590 1.475 73 HB3 ALA 9 HB3 ALA 9 50.781 11.275 1.124 74 H ILE 10 HN ILE 10 51.486 9.124 -2.697 75 HA ILE 10 HA ILE 10 50.100 9.508 -4.495 76 HB ILE 10 HB ILE 10 48.144 9.853 -2.210 77 HG12 ILE 10 HG12 ILE 10 47.673 8.310 -4.782 78 HG13 ILE 10 HG11 ILE 10 48.851 7.688 -3.607 79 HG21 ILE 10 HG21 ILE 10 47.326 11.705 -3.435 80 HG22 ILE 10 HG22 ILE 10 46.323 10.350 -3.996 81 HG23 ILE 10 HG23 ILE 10 47.664 10.933 -5.005 82 HD11 ILE 10 HD1 ILE 10 45.893 8.253 -3.099 83 HD12 ILE 10 HD2 ILE 10 47.058 7.815 -1.828 84 HD13 ILE 10 HD3 ILE 10 46.696 6.669 -3.137 85 H HIS 11 HN HIS 11 49.111 12.138 -2.255 86 HA HIS 11 HA HIS 11 50.619 14.114 -3.840 87 HB2 HIS 11 HB2 HIS 11 48.525 13.886 -5.156 88 HB3 HIS 11 HB1 HIS 11 47.574 14.223 -3.690 89 HD1 HIS 11 HD1 HIS 11 46.768 16.579 -3.727 90 HD2 HIS 11 HD2 HIS 11 50.625 16.217 -5.364 91 HE1 HIS 11 HE1 HIS 11 47.566 18.931 -4.325 92 H GLY 12 HN GLY 12 49.624 12.800 -1.083 93 HA2 GLY 12 HA1 GLY 12 50.372 13.794 1.019 94 HA3 GLY 12 HA2 GLY 12 49.859 15.389 0.438 95 H GLY 13 HN GLY 13 48.042 12.348 0.130 96 HA2 GLY 13 HA1 GLY 13 45.870 11.876 0.806 97 HA3 GLY 13 HA2 GLY 13 46.436 12.431 2.395 98 H ARG 14 HN ARG 14 45.406 13.780 -0.766 99 HA ARG 14 HA ARG 14 43.370 15.418 0.590 100 HB2 ARG 14 HB2 ARG 14 45.335 16.838 0.926 101 HB3 ARG 14 HB1 ARG 14 45.770 16.697 -0.790 102 HG2 ARG 14 HG2 ARG 14 44.628 18.861 -0.249 103 HG3 ARG 14 HG1 ARG 14 43.738 17.906 -1.451 104 HD2 ARG 14 HD2 ARG 14 42.051 17.304 0.099 105 HD3 ARG 14 HD1 ARG 14 43.084 17.656 1.506 106 HE ARG 14 HE ARG 14 41.428 19.573 0.090 107 HH11 ARG 14 HH11 ARG 14 44.170 19.017 2.090 108 HH12 ARG 14 HH12 ARG 14 44.387 20.688 2.490 109 HH21 ARG 14 HH21 ARG 14 41.792 21.784 0.468 110 HH22 ARG 14 HH22 ARG 14 43.040 22.255 1.571 111 H PHE 15 HN PHE 15 44.902 13.979 -2.142 112 HA PHE 15 HA PHE 15 43.671 15.189 -4.341 113 HB2 PHE 15 HB2 PHE 15 45.291 13.284 -4.430 114 HB3 PHE 15 HB1 PHE 15 43.982 12.191 -3.919 115 HD1 PHE 15 HD1 PHE 15 44.678 14.880 -6.476 116 HD2 PHE 15 HD2 PHE 15 42.692 11.145 -5.607 117 HE1 PHE 15 HE1 PHE 15 43.902 14.740 -8.839 118 HE2 PHE 15 HE2 PHE 15 41.919 11.007 -7.970 119 HZ PHE 15 HZ PHE 15 42.574 12.775 -9.600 120 H ILE 16 HN ILE 16 42.191 13.592 -1.693 121 HA ILE 16 HA ILE 16 39.529 13.932 -2.978 122 HB ILE 16 HB ILE 16 40.098 11.319 -1.515 123 HG12 ILE 16 HG12 ILE 16 40.447 11.895 -4.494 124 HG13 ILE 16 HG11 ILE 16 41.722 11.397 -3.358 125 HG21 ILE 16 HG21 ILE 16 38.111 12.003 -3.724 126 HG22 ILE 16 HG22 ILE 16 37.744 12.202 -1.994 127 HG23 ILE 16 HG23 ILE 16 38.097 10.586 -2.649 128 HD11 ILE 16 HD1 ILE 16 39.398 9.771 -4.435 129 HD12 ILE 16 HD2 ILE 16 40.194 9.314 -2.908 130 HD13 ILE 16 HD3 ILE 16 41.130 9.370 -4.421 131 H HIS 17 HN HIS 17 40.681 12.212 -0.013 132 HA HIS 17 HA HIS 17 40.143 14.438 1.735 133 HB2 HIS 17 HB2 HIS 17 37.780 13.930 1.085 134 HB3 HIS 17 HB1 HIS 17 37.997 12.273 1.695 135 HD1 HIS 17 HD1 HIS 17 40.014 14.009 3.950 136 HD2 HIS 17 HD2 HIS 17 35.842 13.893 3.417 137 HE1 HIS 17 HE1 HIS 17 38.945 14.760 6.146 138 H GLY 18 HN GLY 18 42.341 13.292 1.902 139 HA2 GLY 18 HA1 GLY 18 43.747 12.000 3.226 140 HA3 GLY 18 HA2 GLY 18 42.405 11.830 4.357 141 H MET 19 HN MET 19 43.051 10.836 1.029 142 HA MET 19 HA MET 19 42.544 8.807 0.123 143 HB2 MET 19 HB2 MET 19 44.017 7.885 2.520 144 HB3 MET 19 HB1 MET 19 43.752 6.897 1.062 145 HG2 MET 19 HG2 MET 19 44.891 8.741 -0.272 146 HG3 MET 19 HG1 MET 19 45.332 9.493 1.279 147 HE1 MET 19 HE1 MET 19 47.486 9.452 0.052 148 HE2 MET 19 HE2 MET 19 48.723 8.215 0.380 149 HE3 MET 19 HE3 MET 19 48.008 9.136 1.724 150 H ILE 20 HN ILE 20 40.600 9.782 2.224 151 HA ILE 20 HA ILE 20 38.687 8.899 3.207 152 HB ILE 20 HB ILE 20 39.096 6.892 0.938 153 HG12 ILE 20 HG12 ILE 20 36.977 7.855 0.148 154 HG13 ILE 20 HG11 ILE 20 36.837 8.819 1.637 155 HG21 ILE 20 HG21 ILE 20 37.067 6.750 3.206 156 HG22 ILE 20 HG22 ILE 20 38.177 5.473 2.650 157 HG23 ILE 20 HG23 ILE 20 36.803 5.962 1.632 158 HD11 ILE 20 HD1 ILE 20 39.204 9.035 -0.265 159 HD12 ILE 20 HD2 ILE 20 38.776 10.129 1.072 160 HD13 ILE 20 HD3 ILE 20 37.760 10.066 -0.383 161 H GLN 21 HN GLN 21 41.751 7.571 3.100 162 HA GLN 21 HA GLN 21 41.141 5.543 5.287 163 HB2 GLN 21 HB2 GLN 21 42.350 4.801 3.158 164 HB3 GLN 21 HB1 GLN 21 43.703 5.836 3.671 165 HG2 GLN 21 HG2 GLN 21 44.196 3.633 4.497 166 HG3 GLN 21 HG1 GLN 21 43.655 4.581 5.903 167 HE21 GLN 21 HE21 GLN 21 42.161 3.507 7.186 168 HE22 GLN 21 HE22 GLN 21 41.016 2.301 6.589 169 H ASN 22 HN ASN 22 43.198 8.325 4.306 170 HA ASN 22 HA ASN 22 44.419 8.438 6.997 171 HB2 ASN 22 HB2 ASN 22 45.840 9.052 5.138 172 HB3 ASN 22 HB1 ASN 22 44.608 10.150 4.475 173 HD21 ASN 22 HD21 ASN 22 46.259 11.917 4.626 174 HD22 ASN 22 HD22 ASN 22 46.574 12.662 6.196 175 H HIS 23 HN HIS 23 41.862 9.806 4.989 176 HA HIS 23 HA HIS 23 40.242 11.423 5.491 177 HB2 HIS 23 HB2 HIS 23 39.549 9.541 6.965 178 HB3 HIS 23 HB1 HIS 23 40.511 10.249 8.285 179 HD1 HIS 23 HD1 HIS 23 37.575 11.116 5.975 180 HD2 HIS 23 HD2 HIS 23 39.161 12.211 9.713 181 HE1 HIS 23 HE1 HIS 23 35.938 12.759 7.045 182 H HIS 24 HN HIS 24 41.272 13.375 5.173 183 HA HIS 24 HA HIS 24 43.132 14.568 6.959 184 HB2 HIS 24 HB2 HIS 24 42.672 15.342 4.634 185 HB3 HIS 24 HB1 HIS 24 41.103 15.979 5.181 186 HD1 HIS 24 HD1 HIS 24 41.259 17.793 7.236 187 HD2 HIS 24 HD2 HIS 24 44.731 17.160 4.950 188 HE1 HIS 24 HE1 HIS 24 42.840 19.748 7.694 Start of MODEL 88 1 H1 PHE 1 HT1 PHE 1 49.230 3.688 -10.453 2 H2 PHE 1 HT2 PHE 1 48.816 2.375 -11.448 3 H3 PHE 1 HT3 PHE 1 50.110 3.392 -11.871 4 HA PHE 1 HA PHE 1 50.029 1.771 -9.413 5 HB2 PHE 1 HB2 PHE 1 49.951 0.315 -11.412 6 HB3 PHE 1 HB1 PHE 1 51.370 1.159 -12.079 7 HD1 PHE 1 HD1 PHE 1 53.581 0.566 -11.384 8 HD2 PHE 1 HD2 PHE 1 50.173 -0.866 -9.155 9 HE1 PHE 1 HE1 PHE 1 55.074 -0.923 -10.057 10 HE2 PHE 1 HE2 PHE 1 51.667 -2.355 -7.829 11 HZ PHE 1 HZ PHE 1 54.126 -2.327 -8.230 12 H LEU 2 HN LEU 2 50.859 3.695 -8.385 13 HA LEU 2 HA LEU 2 53.178 5.087 -9.269 14 HB2 LEU 2 HB2 LEU 2 51.585 5.758 -7.409 15 HB3 LEU 2 HB1 LEU 2 52.376 4.538 -6.388 16 HG LEU 2 HG LEU 2 54.614 5.782 -7.053 17 HD11 LEU 2 HD11 LEU 2 52.498 7.895 -7.666 18 HD12 LEU 2 HD12 LEU 2 53.754 7.279 -8.767 19 HD13 LEU 2 HD13 LEU 2 54.210 8.260 -7.358 20 HD21 LEU 2 HD21 LEU 2 52.563 7.084 -5.208 21 HD22 LEU 2 HD22 LEU 2 54.323 7.338 -5.150 22 HD23 LEU 2 HD23 LEU 2 53.642 5.738 -4.774 23 H GLY 3 HN GLY 3 52.794 2.172 -7.247 24 HA2 GLY 3 HA1 GLY 3 54.331 0.430 -6.975 25 HA3 GLY 3 HA2 GLY 3 55.513 1.318 -7.957 26 H ALA 4 HN ALA 4 56.055 3.581 -6.747 27 HA ALA 4 HA ALA 4 57.453 2.712 -4.326 28 HB1 ALA 4 HB1 ALA 4 58.486 4.264 -5.927 29 HB2 ALA 4 HB2 ALA 4 58.330 5.016 -4.321 30 HB3 ALA 4 HB3 ALA 4 57.194 5.449 -5.623 31 H LEU 5 HN LEU 5 57.411 4.982 -2.739 32 HA LEU 5 HA LEU 5 54.534 5.279 -1.912 33 HB2 LEU 5 HB2 LEU 5 56.863 4.610 -0.055 34 HB3 LEU 5 HB1 LEU 5 55.202 4.994 0.445 35 HG LEU 5 HG LEU 5 54.634 2.974 -1.301 36 HD11 LEU 5 HD11 LEU 5 57.126 2.683 -1.785 37 HD12 LEU 5 HD12 LEU 5 56.286 1.214 -1.238 38 HD13 LEU 5 HD13 LEU 5 57.309 2.129 -0.106 39 HD21 LEU 5 HD21 LEU 5 55.555 2.688 1.593 40 HD22 LEU 5 HD22 LEU 5 54.701 1.414 0.689 41 HD23 LEU 5 HD23 LEU 5 53.896 2.967 1.014 42 H ILE 6 HN ILE 6 55.558 7.222 -3.356 43 HA ILE 6 HA ILE 6 56.110 9.377 -1.301 44 HB ILE 6 HB ILE 6 57.548 9.498 -3.997 45 HG12 ILE 6 HG12 ILE 6 58.515 7.949 -1.548 46 HG13 ILE 6 HG11 ILE 6 58.162 7.276 -3.157 47 HG21 ILE 6 HG21 ILE 6 58.982 11.007 -2.857 48 HG22 ILE 6 HG22 ILE 6 58.533 10.377 -1.254 49 HG23 ILE 6 HG23 ILE 6 57.381 11.371 -2.175 50 HD11 ILE 6 HD1 ILE 6 60.402 9.175 -2.370 51 HD12 ILE 6 HD2 ILE 6 59.927 8.920 -4.066 52 HD13 ILE 6 HD3 ILE 6 60.535 7.558 -3.097 53 H LYS 7 HN LYS 7 56.573 11.174 -3.769 54 HA LYS 7 HA LYS 7 55.123 12.772 -4.650 55 HB2 LYS 7 HB2 LYS 7 54.425 10.671 -6.087 56 HB3 LYS 7 HB1 LYS 7 53.008 10.600 -5.012 57 HG2 LYS 7 HG2 LYS 7 52.479 12.971 -5.593 58 HG3 LYS 7 HG1 LYS 7 53.852 12.989 -6.718 59 HD2 LYS 7 HD2 LYS 7 51.642 10.903 -6.935 60 HD3 LYS 7 HD1 LYS 7 51.488 12.500 -7.699 61 HE2 LYS 7 HE2 LYS 7 53.740 12.042 -8.837 62 HE3 LYS 7 HE1 LYS 7 53.592 10.368 -8.256 63 HZ1 LYS 7 HZ1 LYS 7 51.404 11.674 -9.760 64 HZ2 LYS 7 HZ2 LYS 7 51.699 10.015 -9.529 65 HZ3 LYS 7 HZ3 LYS 7 52.696 10.922 -10.564 66 H GLY 8 HN GLY 8 55.459 11.736 -2.173 67 HA2 GLY 8 HA1 GLY 8 54.745 11.428 -0.095 68 HA3 GLY 8 HA2 GLY 8 54.199 13.141 -0.281 69 H ALA 9 HN ALA 9 53.314 9.757 -0.320 70 HA ALA 9 HA ALA 9 51.293 8.666 -0.159 71 HB1 ALA 9 HB1 ALA 9 50.419 11.201 1.267 72 HB2 ALA 9 HB2 ALA 9 51.366 9.896 2.021 73 HB3 ALA 9 HB3 ALA 9 49.715 9.576 1.437 74 H ILE 10 HN ILE 10 51.281 9.096 -2.568 75 HA ILE 10 HA ILE 10 50.025 9.517 -4.454 76 HB ILE 10 HB ILE 10 47.922 9.772 -2.295 77 HG12 ILE 10 HG12 ILE 10 46.792 8.089 -3.711 78 HG13 ILE 10 HG11 ILE 10 48.059 8.278 -4.946 79 HG21 ILE 10 HG21 ILE 10 47.583 10.947 -5.070 80 HG22 ILE 10 HG22 ILE 10 47.187 11.678 -3.492 81 HG23 ILE 10 HG23 ILE 10 46.202 10.339 -4.125 82 HD11 ILE 10 HD1 ILE 10 48.701 7.519 -2.070 83 HD12 ILE 10 HD2 ILE 10 49.740 7.368 -3.507 84 HD13 ILE 10 HD3 ILE 10 48.329 6.302 -3.314 85 H HIS 11 HN HIS 11 48.899 12.088 -2.213 86 HA HIS 11 HA HIS 11 50.424 14.117 -3.735 87 HB2 HIS 11 HB2 HIS 11 48.266 13.824 -5.004 88 HB3 HIS 11 HB1 HIS 11 47.387 14.249 -3.514 89 HD1 HIS 11 HD1 HIS 11 47.320 16.704 -2.796 90 HD2 HIS 11 HD2 HIS 11 49.741 16.009 -6.165 91 HE1 HIS 11 HE1 HIS 11 47.976 18.984 -3.748 92 H GLY 12 HN GLY 12 49.347 12.728 -1.001 93 HA2 GLY 12 HA1 GLY 12 49.307 13.412 1.215 94 HA3 GLY 12 HA2 GLY 12 50.226 14.843 0.708 95 H GLY 13 HN GLY 13 47.223 14.271 -0.893 96 HA2 GLY 13 HA1 GLY 13 45.599 15.813 1.002 97 HA3 GLY 13 HA2 GLY 13 46.061 16.714 -0.456 98 H ARG 14 HN ARG 14 46.038 14.405 -2.239 99 HA ARG 14 HA ARG 14 43.123 14.356 -2.709 100 HB2 ARG 14 HB2 ARG 14 44.661 14.641 -4.609 101 HB3 ARG 14 HB1 ARG 14 45.452 13.100 -4.223 102 HG2 ARG 14 HG2 ARG 14 43.821 12.859 -6.082 103 HG3 ARG 14 HG1 ARG 14 43.358 11.875 -4.680 104 HD2 ARG 14 HD2 ARG 14 41.562 13.297 -4.117 105 HD3 ARG 14 HD1 ARG 14 42.258 14.688 -4.985 106 HE ARG 14 HE ARG 14 41.769 12.798 -6.975 107 HH11 ARG 14 HH11 ARG 14 39.589 12.405 -4.676 108 HH12 ARG 14 HH12 ARG 14 38.258 13.207 -5.442 109 HH21 ARG 14 HH21 ARG 14 40.215 14.680 -7.897 110 HH22 ARG 14 HH22 ARG 14 38.613 14.496 -7.265 111 H PHE 15 HN PHE 15 45.628 12.368 -1.342 112 HA PHE 15 HA PHE 15 44.677 9.768 -1.611 113 HB2 PHE 15 HB2 PHE 15 46.716 10.395 -0.355 114 HB3 PHE 15 HB1 PHE 15 45.701 11.044 0.956 115 HD1 PHE 15 HD1 PHE 15 44.550 9.577 2.504 116 HD2 PHE 15 HD2 PHE 15 46.701 7.952 -0.867 117 HE1 PHE 15 HE1 PHE 15 44.352 7.292 3.478 118 HE2 PHE 15 HE2 PHE 15 46.502 5.667 0.108 119 HZ PHE 15 HZ PHE 15 45.388 5.348 2.314 120 H ILE 16 HN ILE 16 43.709 12.056 1.003 121 HA ILE 16 HA ILE 16 41.659 10.298 1.999 122 HB ILE 16 HB ILE 16 41.730 13.331 2.317 123 HG12 ILE 16 HG12 ILE 16 43.144 11.175 3.956 124 HG13 ILE 16 HG11 ILE 16 43.951 12.292 2.834 125 HG21 ILE 16 HG21 ILE 16 39.696 11.932 3.068 126 HG22 ILE 16 HG22 ILE 16 40.472 12.919 4.321 127 HG23 ILE 16 HG23 ILE 16 40.785 11.170 4.247 128 HD11 ILE 16 HD1 ILE 16 44.215 13.301 4.969 129 HD12 ILE 16 HD2 ILE 16 42.541 12.936 5.446 130 HD13 ILE 16 HD3 ILE 16 42.868 14.191 4.226 131 H HIS 17 HN HIS 17 40.824 13.598 0.823 132 HA HIS 17 HA HIS 17 39.198 12.496 -1.368 133 HB2 HIS 17 HB2 HIS 17 37.817 11.894 0.622 134 HB3 HIS 17 HB1 HIS 17 37.725 13.618 1.043 135 HD1 HIS 17 HD1 HIS 17 35.415 14.365 0.428 136 HD2 HIS 17 HD2 HIS 17 37.104 11.869 -2.502 137 HE1 HIS 17 HE1 HIS 17 33.798 14.310 -1.550 138 H GLY 18 HN GLY 18 41.226 14.587 -0.706 139 HA2 GLY 18 HA1 GLY 18 41.037 16.516 -2.472 140 HA3 GLY 18 HA2 GLY 18 39.747 17.094 -1.386 141 H MET 19 HN MET 19 40.542 16.567 1.002 142 HA MET 19 HA MET 19 43.078 16.839 1.871 143 HB2 MET 19 HB2 MET 19 42.395 19.352 0.592 144 HB3 MET 19 HB1 MET 19 42.587 19.637 2.332 145 HG2 MET 19 HG2 MET 19 44.813 18.460 2.213 146 HG3 MET 19 HG1 MET 19 44.616 18.362 0.448 147 HE1 MET 19 HE1 MET 19 46.565 20.029 -0.537 148 HE2 MET 19 HE2 MET 19 46.981 19.290 1.027 149 HE3 MET 19 HE3 MET 19 47.317 21.014 0.740 150 H ILE 20 HN ILE 20 42.018 15.481 3.261 151 HA ILE 20 HA ILE 20 40.918 15.033 5.269 152 HB ILE 20 HB ILE 20 40.811 18.021 5.886 153 HG12 ILE 20 HG12 ILE 20 43.194 16.130 6.191 154 HG13 ILE 20 HG11 ILE 20 43.124 17.578 5.165 155 HG21 ILE 20 HG21 ILE 20 40.787 17.319 8.164 156 HG22 ILE 20 HG22 ILE 20 41.370 15.686 7.761 157 HG23 ILE 20 HG23 ILE 20 39.713 16.167 7.345 158 HD11 ILE 20 HD1 ILE 20 43.151 17.419 8.195 159 HD12 ILE 20 HD2 ILE 20 42.596 18.881 7.344 160 HD13 ILE 20 HD3 ILE 20 44.262 18.298 7.122 161 H GLN 21 HN GLN 21 39.960 16.053 2.642 162 HA GLN 21 HA GLN 21 37.762 15.861 1.727 163 HB2 GLN 21 HB2 GLN 21 36.859 15.327 4.151 164 HB3 GLN 21 HB1 GLN 21 36.519 17.073 4.231 165 HG2 GLN 21 HG2 GLN 21 35.225 16.868 2.083 166 HG3 GLN 21 HG1 GLN 21 35.468 15.105 2.151 167 HE21 GLN 21 HE21 GLN 21 34.236 17.831 4.224 168 HE22 GLN 21 HE22 GLN 21 32.971 16.856 4.980 169 H ASN 22 HN ASN 22 39.879 17.738 1.921 170 HA ASN 22 HA ASN 22 40.394 19.946 1.528 171 HB2 ASN 22 HB2 ASN 22 39.528 19.334 -0.619 172 HB3 ASN 22 HB1 ASN 22 37.850 19.646 -0.090 173 HD21 ASN 22 HD21 ASN 22 41.020 21.252 -0.727 174 HD22 ASN 22 HD22 ASN 22 40.325 22.858 -0.975 175 H HIS 23 HN HIS 23 39.495 19.645 3.951 176 HA HIS 23 HA HIS 23 37.190 21.129 4.722 177 HB2 HIS 23 HB2 HIS 23 38.508 19.701 6.255 178 HB3 HIS 23 HB1 HIS 23 39.843 20.876 6.196 179 HD1 HIS 23 HD1 HIS 23 36.044 21.042 6.851 180 HD2 HIS 23 HD2 HIS 23 39.648 22.688 8.259 181 HE1 HIS 23 HE1 HIS 23 35.467 22.571 8.815 182 H HIS 24 HN HIS 24 40.475 22.380 5.371 183 HA HIS 24 HA HIS 24 39.607 25.104 5.408 184 HB2 HIS 24 HB2 HIS 24 41.685 24.279 6.487 185 HB3 HIS 24 HB1 HIS 24 42.395 24.002 4.879 186 HD1 HIS 24 HD1 HIS 24 42.377 26.261 3.260 187 HD2 HIS 24 HD2 HIS 24 42.065 26.861 7.411 188 HE1 HIS 24 HE1 HIS 24 43.028 28.688 3.729 Start of MODEL 89 1 H1 PHE 1 HT1 PHE 1 58.279 2.401 -12.241 2 H2 PHE 1 HT2 PHE 1 57.560 2.691 -10.729 3 H3 PHE 1 HT3 PHE 1 59.252 2.612 -10.870 4 HA PHE 1 HA PHE 1 59.267 4.565 -12.242 5 HB2 PHE 1 HB2 PHE 1 56.274 4.533 -11.677 6 HB3 PHE 1 HB1 PHE 1 57.161 5.874 -12.441 7 HD1 PHE 1 HD1 PHE 1 58.538 5.346 -14.573 8 HD2 PHE 1 HD2 PHE 1 55.494 2.717 -13.005 9 HE1 PHE 1 HE1 PHE 1 58.367 4.221 -16.789 10 HE2 PHE 1 HE2 PHE 1 55.323 1.594 -15.223 11 HZ PHE 1 HZ PHE 1 56.777 2.330 -17.107 12 H LEU 2 HN LEU 2 56.656 4.698 -9.788 13 HA LEU 2 HA LEU 2 57.894 6.892 -8.391 14 HB2 LEU 2 HB2 LEU 2 55.895 4.941 -7.197 15 HB3 LEU 2 HB1 LEU 2 56.126 6.663 -6.809 16 HG LEU 2 HG LEU 2 55.070 5.512 -9.431 17 HD11 LEU 2 HD11 LEU 2 52.976 6.552 -8.788 18 HD12 LEU 2 HD12 LEU 2 53.736 7.326 -7.376 19 HD13 LEU 2 HD13 LEU 2 53.527 5.558 -7.419 20 HD21 LEU 2 HD21 LEU 2 56.323 7.452 -10.047 21 HD22 LEU 2 HD22 LEU 2 55.833 8.337 -8.581 22 HD23 LEU 2 HD23 LEU 2 54.652 8.038 -9.878 23 H GLY 3 HN GLY 3 58.285 3.430 -8.259 24 HA2 GLY 3 HA1 GLY 3 59.918 2.213 -7.133 25 HA3 GLY 3 HA2 GLY 3 60.539 3.721 -6.433 26 H ALA 4 HN ALA 4 58.127 4.624 -5.219 27 HA ALA 4 HA ALA 4 57.089 2.528 -3.483 28 HB1 ALA 4 HB1 ALA 4 58.060 3.448 -1.381 29 HB2 ALA 4 HB2 ALA 4 59.123 4.486 -2.362 30 HB3 ALA 4 HB3 ALA 4 59.279 2.715 -2.449 31 H LEU 5 HN LEU 5 56.096 3.792 -1.401 32 HA LEU 5 HA LEU 5 54.155 5.608 -2.606 33 HB2 LEU 5 HB2 LEU 5 54.525 5.115 0.366 34 HB3 LEU 5 HB1 LEU 5 53.033 5.512 -0.519 35 HG LEU 5 HG LEU 5 54.620 2.914 -0.704 36 HD11 LEU 5 HD11 LEU 5 53.245 3.177 1.344 37 HD12 LEU 5 HD12 LEU 5 52.566 1.932 0.268 38 HD13 LEU 5 HD13 LEU 5 51.824 3.548 0.342 39 HD21 LEU 5 HD21 LEU 5 52.220 3.975 -2.254 40 HD22 LEU 5 HD22 LEU 5 52.560 2.234 -2.114 41 HD23 LEU 5 HD23 LEU 5 53.741 3.308 -2.896 42 H ILE 6 HN ILE 6 54.876 7.561 -3.213 43 HA ILE 6 HA ILE 6 55.795 9.397 -1.032 44 HB ILE 6 HB ILE 6 57.715 10.232 -2.373 45 HG12 ILE 6 HG12 ILE 6 56.998 7.938 -4.262 46 HG13 ILE 6 HG11 ILE 6 56.906 9.675 -4.632 47 HG21 ILE 6 HG21 ILE 6 57.933 8.286 -0.714 48 HG22 ILE 6 HG22 ILE 6 59.245 8.450 -1.904 49 HG23 ILE 6 HG23 ILE 6 57.986 7.211 -2.132 50 HD11 ILE 6 HD1 ILE 6 59.373 7.957 -4.211 51 HD12 ILE 6 HD2 ILE 6 59.447 9.729 -4.040 52 HD13 ILE 6 HD3 ILE 6 58.967 9.001 -5.591 53 H LYS 7 HN LYS 7 56.640 11.379 -3.157 54 HA LYS 7 HA LYS 7 55.459 13.225 -3.958 55 HB2 LYS 7 HB2 LYS 7 53.603 11.005 -4.960 56 HB3 LYS 7 HB1 LYS 7 53.301 12.728 -5.284 57 HG2 LYS 7 HG2 LYS 7 55.280 12.953 -6.588 58 HG3 LYS 7 HG1 LYS 7 55.966 11.431 -5.972 59 HD2 LYS 7 HD2 LYS 7 55.090 11.201 -8.300 60 HD3 LYS 7 HD1 LYS 7 54.241 10.139 -7.151 61 HE2 LYS 7 HE2 LYS 7 52.322 11.561 -7.091 62 HE3 LYS 7 HE1 LYS 7 53.194 12.905 -7.869 63 HZ1 LYS 7 HZ1 LYS 7 51.680 11.618 -9.360 64 HZ2 LYS 7 HZ2 LYS 7 52.710 10.279 -9.181 65 HZ3 LYS 7 HZ3 LYS 7 53.286 11.707 -9.899 66 H GLY 8 HN GLY 8 55.407 11.851 -1.628 67 HA2 GLY 8 HA1 GLY 8 54.433 11.368 0.303 68 HA3 GLY 8 HA2 GLY 8 54.040 13.131 0.289 69 H ALA 9 HN ALA 9 52.925 9.884 -0.504 70 HA ALA 9 HA ALA 9 50.824 8.970 -0.699 71 HB1 ALA 9 HB1 ALA 9 50.656 9.802 1.636 72 HB2 ALA 9 HB2 ALA 9 49.088 9.826 0.793 73 HB3 ALA 9 HB3 ALA 9 49.999 11.337 1.021 74 H ILE 10 HN ILE 10 51.221 9.803 -2.985 75 HA ILE 10 HA ILE 10 50.305 10.627 -4.923 76 HB ILE 10 HB ILE 10 47.911 10.603 -3.092 77 HG12 ILE 10 HG12 ILE 10 48.241 9.734 -5.996 78 HG13 ILE 10 HG11 ILE 10 48.713 8.723 -4.614 79 HG21 ILE 10 HG21 ILE 10 47.437 12.765 -3.971 80 HG22 ILE 10 HG22 ILE 10 46.496 11.645 -4.975 81 HG23 ILE 10 HG23 ILE 10 48.018 12.324 -5.595 82 HD11 ILE 10 HD1 ILE 10 46.545 7.925 -4.931 83 HD12 ILE 10 HD2 ILE 10 45.953 9.465 -5.588 84 HD13 ILE 10 HD3 ILE 10 46.171 9.271 -3.833 85 H HIS 11 HN HIS 11 48.965 12.868 -2.439 86 HA HIS 11 HA HIS 11 50.787 15.002 -3.402 87 HB2 HIS 11 HB2 HIS 11 47.749 15.137 -3.610 88 HB3 HIS 11 HB1 HIS 11 48.806 16.569 -3.657 89 HD1 HIS 11 HD1 HIS 11 51.099 15.752 -5.411 90 HD2 HIS 11 HD2 HIS 11 47.124 14.674 -6.266 91 HE1 HIS 11 HE1 HIS 11 50.978 15.206 -7.904 92 H GLY 12 HN GLY 12 49.278 13.259 -1.081 93 HA2 GLY 12 HA1 GLY 12 50.118 14.011 1.229 94 HA3 GLY 12 HA2 GLY 12 49.236 15.521 0.913 95 H GLY 13 HN GLY 13 47.915 12.562 -0.337 96 HA2 GLY 13 HA1 GLY 13 45.901 11.524 0.149 97 HA3 GLY 13 HA2 GLY 13 46.458 11.572 1.835 98 H ARG 14 HN ARG 14 45.182 13.854 -0.630 99 HA ARG 14 HA ARG 14 42.926 14.535 1.119 100 HB2 ARG 14 HB2 ARG 14 45.167 15.885 1.775 101 HB3 ARG 14 HB1 ARG 14 44.658 16.913 0.421 102 HG2 ARG 14 HG2 ARG 14 43.013 16.204 2.896 103 HG3 ARG 14 HG1 ARG 14 43.724 17.787 2.509 104 HD2 ARG 14 HD2 ARG 14 42.304 17.613 0.299 105 HD3 ARG 14 HD1 ARG 14 41.380 16.383 1.200 106 HE ARG 14 HE ARG 14 41.765 18.886 2.681 107 HH11 ARG 14 HH11 ARG 14 40.012 17.479 0.085 108 HH12 ARG 14 HH12 ARG 14 38.506 18.219 0.519 109 HH21 ARG 14 HH21 ARG 14 39.758 19.700 3.393 110 HH22 ARG 14 HH22 ARG 14 38.362 19.476 2.391 111 H PHE 15 HN PHE 15 44.913 15.214 -1.754 112 HA PHE 15 HA PHE 15 43.105 16.799 -3.211 113 HB2 PHE 15 HB2 PHE 15 45.483 16.076 -3.842 114 HB3 PHE 15 HB1 PHE 15 44.763 14.564 -4.441 115 HD1 PHE 15 HD1 PHE 15 44.276 18.301 -4.668 116 HD2 PHE 15 HD2 PHE 15 44.035 14.495 -6.695 117 HE1 PHE 15 HE1 PHE 15 43.653 19.464 -6.781 118 HE2 PHE 15 HE2 PHE 15 43.411 15.661 -8.806 119 HZ PHE 15 HZ PHE 15 43.234 18.146 -8.852 120 H ILE 16 HN ILE 16 43.094 13.297 -2.621 121 HA ILE 16 HA ILE 16 40.934 12.821 -4.552 122 HB ILE 16 HB ILE 16 41.819 10.981 -2.293 123 HG12 ILE 16 HG12 ILE 16 43.864 11.411 -3.416 124 HG13 ILE 16 HG11 ILE 16 43.264 9.926 -4.177 125 HG21 ILE 16 HG21 ILE 16 39.755 10.295 -3.332 126 HG22 ILE 16 HG22 ILE 16 41.039 9.234 -3.954 127 HG23 ILE 16 HG23 ILE 16 40.407 10.557 -4.961 128 HD11 ILE 16 HD1 ILE 16 43.187 12.761 -5.291 129 HD12 ILE 16 HD2 ILE 16 42.258 11.426 -6.006 130 HD13 ILE 16 HD3 ILE 16 44.031 11.347 -5.955 131 H HIS 17 HN HIS 17 40.854 11.824 -1.087 132 HA HIS 17 HA HIS 17 38.601 13.602 -0.514 133 HB2 HIS 17 HB2 HIS 17 37.504 11.811 -1.891 134 HB3 HIS 17 HB1 HIS 17 38.059 10.610 -0.701 135 HD1 HIS 17 HD1 HIS 17 36.489 10.152 1.182 136 HD2 HIS 17 HD2 HIS 17 35.927 13.993 -0.433 137 HE1 HIS 17 HE1 HIS 17 34.477 11.190 2.366 138 H GLY 18 HN GLY 18 41.102 13.306 0.623 139 HA2 GLY 18 HA1 GLY 18 41.914 13.234 2.811 140 HA3 GLY 18 HA2 GLY 18 40.366 12.608 3.354 141 H MET 19 HN MET 19 43.149 11.730 1.411 142 HA MET 19 HA MET 19 43.997 9.638 1.090 143 HB2 MET 19 HB2 MET 19 44.829 10.614 3.360 144 HB3 MET 19 HB1 MET 19 43.952 9.217 4.016 145 HG2 MET 19 HG2 MET 19 45.311 7.759 2.406 146 HG3 MET 19 HG1 MET 19 46.293 9.201 2.061 147 HE1 MET 19 HE1 MET 19 47.327 6.517 3.001 148 HE2 MET 19 HE2 MET 19 48.422 6.811 4.373 149 HE3 MET 19 HE3 MET 19 48.512 7.842 2.924 150 H ILE 20 HN ILE 20 40.972 9.680 1.424 151 HA ILE 20 HA ILE 20 39.333 8.036 1.563 152 HB ILE 20 HB ILE 20 41.540 5.967 1.131 153 HG12 ILE 20 HG12 ILE 20 41.900 7.479 -0.668 154 HG13 ILE 20 HG11 ILE 20 40.855 6.227 -1.361 155 HG21 ILE 20 HG21 ILE 20 39.576 4.803 -0.069 156 HG22 ILE 20 HG22 ILE 20 38.529 6.012 0.706 157 HG23 ILE 20 HG23 ILE 20 39.495 4.905 1.701 158 HD11 ILE 20 HD1 ILE 20 40.094 9.036 -0.471 159 HD12 ILE 20 HD2 ILE 20 38.872 7.775 -0.753 160 HD13 ILE 20 HD3 ILE 20 39.923 8.303 -2.082 161 H GLN 21 HN GLN 21 42.011 8.467 3.477 162 HA GLN 21 HA GLN 21 40.807 6.814 5.725 163 HB2 GLN 21 HB2 GLN 21 42.845 5.713 4.735 164 HB3 GLN 21 HB1 GLN 21 43.779 7.158 5.189 165 HG2 GLN 21 HG2 GLN 21 43.189 6.840 7.550 166 HG3 GLN 21 HG1 GLN 21 42.165 5.447 7.129 167 HE21 GLN 21 HE21 GLN 21 45.230 6.253 8.277 168 HE22 GLN 21 HE22 GLN 21 46.088 4.793 7.775 169 H ASN 22 HN ASN 22 42.314 9.832 4.580 170 HA ASN 22 HA ASN 22 42.641 10.790 7.379 171 HB2 ASN 22 HB2 ASN 22 44.221 11.467 5.513 172 HB3 ASN 22 HB1 ASN 22 42.862 12.327 4.757 173 HD21 ASN 22 HD21 ASN 22 44.517 14.216 5.199 174 HD22 ASN 22 HD22 ASN 22 44.341 15.019 6.762 175 H HIS 23 HN HIS 23 40.590 10.860 4.560 176 HA HIS 23 HA HIS 23 38.407 11.650 4.275 177 HB2 HIS 23 HB2 HIS 23 37.982 10.173 6.233 178 HB3 HIS 23 HB1 HIS 23 38.274 11.555 7.316 179 HD1 HIS 23 HD1 HIS 23 36.466 13.376 7.498 180 HD2 HIS 23 HD2 HIS 23 35.585 10.432 4.628 181 HE1 HIS 23 HE1 HIS 23 34.025 13.688 6.810 182 H HIS 24 HN HIS 24 38.948 13.239 7.433 183 HA HIS 24 HA HIS 24 39.601 15.810 6.293 184 HB2 HIS 24 HB2 HIS 24 37.185 15.603 5.588 185 HB3 HIS 24 HB1 HIS 24 36.747 15.539 7.312 186 HD1 HIS 24 HD1 HIS 24 39.541 17.730 5.948 187 HD2 HIS 24 HD2 HIS 24 35.586 18.134 7.319 188 HE1 HIS 24 HE1 HIS 24 39.094 20.226 6.261 Start of MODEL 90 1 H1 PHE 1 HT1 PHE 1 54.400 -0.172 -10.487 2 H2 PHE 1 HT2 PHE 1 55.903 0.607 -10.627 3 H3 PHE 1 HT3 PHE 1 54.943 0.351 -12.005 4 HA PHE 1 HA PHE 1 54.887 2.639 -11.235 5 HB2 PHE 1 HB2 PHE 1 52.283 1.079 -10.985 6 HB3 PHE 1 HB1 PHE 1 52.422 2.830 -11.268 7 HD1 PHE 1 HD1 PHE 1 52.986 -0.543 -12.721 8 HD2 PHE 1 HD2 PHE 1 53.123 3.713 -13.428 9 HE1 PHE 1 HE1 PHE 1 53.221 -0.957 -15.168 10 HE2 PHE 1 HE2 PHE 1 53.357 3.299 -15.875 11 HZ PHE 1 HZ PHE 1 53.442 0.964 -16.740 12 H LEU 2 HN LEU 2 55.623 3.540 -9.409 13 HA LEU 2 HA LEU 2 55.024 2.536 -6.776 14 HB2 LEU 2 HB2 LEU 2 56.170 5.134 -7.851 15 HB3 LEU 2 HB1 LEU 2 55.875 4.911 -6.111 16 HG LEU 2 HG LEU 2 57.346 2.965 -6.055 17 HD11 LEU 2 HD11 LEU 2 57.414 3.366 -9.072 18 HD12 LEU 2 HD12 LEU 2 56.980 1.899 -8.161 19 HD13 LEU 2 HD13 LEU 2 58.672 2.444 -8.215 20 HD21 LEU 2 HD21 LEU 2 59.466 4.067 -6.523 21 HD22 LEU 2 HD22 LEU 2 58.320 5.295 -5.933 22 HD23 LEU 2 HD23 LEU 2 58.684 5.179 -7.672 23 H GLY 3 HN GLY 3 54.400 5.936 -7.355 24 HA2 GLY 3 HA1 GLY 3 52.540 7.231 -6.901 25 HA3 GLY 3 HA2 GLY 3 51.569 5.881 -7.521 26 H ALA 4 HN ALA 4 53.741 5.892 -4.700 27 HA ALA 4 HA ALA 4 51.572 6.178 -2.785 28 HB1 ALA 4 HB1 ALA 4 52.717 3.405 -3.265 29 HB2 ALA 4 HB2 ALA 4 51.032 3.920 -3.521 30 HB3 ALA 4 HB3 ALA 4 51.707 3.869 -1.876 31 H LEU 5 HN LEU 5 54.772 4.654 -3.346 32 HA LEU 5 HA LEU 5 55.694 5.206 -0.650 33 HB2 LEU 5 HB2 LEU 5 57.471 4.772 -3.075 34 HB3 LEU 5 HB1 LEU 5 57.786 4.345 -1.377 35 HG LEU 5 HG LEU 5 55.694 3.086 -3.206 36 HD11 LEU 5 HD11 LEU 5 57.078 1.090 -3.035 37 HD12 LEU 5 HD12 LEU 5 58.167 1.895 -1.878 38 HD13 LEU 5 HD13 LEU 5 58.106 2.441 -3.571 39 HD21 LEU 5 HD21 LEU 5 56.311 2.753 -0.239 40 HD22 LEU 5 HD22 LEU 5 55.492 1.483 -1.181 41 HD23 LEU 5 HD23 LEU 5 54.741 3.086 -1.009 42 H ILE 6 HN ILE 6 54.999 7.231 -3.202 43 HA ILE 6 HA ILE 6 56.348 9.479 -1.894 44 HB ILE 6 HB ILE 6 58.131 8.236 -3.421 45 HG12 ILE 6 HG12 ILE 6 57.622 11.244 -3.582 46 HG13 ILE 6 HG11 ILE 6 58.565 10.376 -2.357 47 HG21 ILE 6 HG21 ILE 6 58.091 8.503 -5.728 48 HG22 ILE 6 HG22 ILE 6 57.053 9.939 -5.675 49 HG23 ILE 6 HG23 ILE 6 56.354 8.325 -5.403 50 HD11 ILE 6 HD1 ILE 6 59.226 10.775 -5.296 51 HD12 ILE 6 HD2 ILE 6 60.024 9.526 -4.311 52 HD13 ILE 6 HD3 ILE 6 60.184 11.242 -3.873 53 H LYS 7 HN LYS 7 56.289 11.053 -4.518 54 HA LYS 7 HA LYS 7 54.671 12.561 -5.249 55 HB2 LYS 7 HB2 LYS 7 52.615 10.313 -4.983 56 HB3 LYS 7 HB1 LYS 7 52.520 11.742 -6.036 57 HG2 LYS 7 HG2 LYS 7 54.484 9.425 -6.303 58 HG3 LYS 7 HG1 LYS 7 53.100 9.765 -7.366 59 HD2 LYS 7 HD2 LYS 7 54.205 12.073 -7.779 60 HD3 LYS 7 HD1 LYS 7 55.661 11.375 -7.028 61 HE2 LYS 7 HE2 LYS 7 55.519 9.477 -8.696 62 HE3 LYS 7 HE1 LYS 7 54.209 10.366 -9.510 63 HZ1 LYS 7 HZ1 LYS 7 56.029 11.120 -10.646 64 HZ2 LYS 7 HZ2 LYS 7 57.070 11.022 -9.307 65 HZ3 LYS 7 HZ3 LYS 7 55.950 12.294 -9.424 66 H GLY 8 HN GLY 8 55.523 11.751 -2.811 67 HA2 GLY 8 HA1 GLY 8 55.219 11.621 -0.604 68 HA3 GLY 8 HA2 GLY 8 54.642 13.317 -0.831 69 H ALA 9 HN ALA 9 53.689 9.919 -0.688 70 HA ALA 9 HA ALA 9 51.754 8.882 -0.007 71 HB1 ALA 9 HB1 ALA 9 51.016 11.505 1.331 72 HB2 ALA 9 HB2 ALA 9 52.189 10.358 2.021 73 HB3 ALA 9 HB3 ALA 9 50.496 9.864 1.775 74 H ILE 10 HN ILE 10 51.385 9.106 -2.393 75 HA ILE 10 HA ILE 10 49.880 9.404 -4.113 76 HB ILE 10 HB ILE 10 48.092 10.027 -1.735 77 HG12 ILE 10 HG12 ILE 10 47.445 8.187 -4.062 78 HG13 ILE 10 HG11 ILE 10 48.689 7.692 -2.895 79 HG21 ILE 10 HG21 ILE 10 47.210 11.722 -3.109 80 HG22 ILE 10 HG22 ILE 10 46.182 10.321 -3.491 81 HG23 ILE 10 HG23 ILE 10 47.485 10.792 -4.602 82 HD11 ILE 10 HD1 ILE 10 47.032 8.049 -1.035 83 HD12 ILE 10 HD2 ILE 10 46.539 6.788 -2.186 84 HD13 ILE 10 HD3 ILE 10 45.786 8.394 -2.256 85 H HIS 11 HN HIS 11 49.049 12.187 -2.019 86 HA HIS 11 HA HIS 11 50.521 14.046 -3.768 87 HB2 HIS 11 HB2 HIS 11 48.318 13.664 -4.961 88 HB3 HIS 11 HB1 HIS 11 47.492 14.290 -3.513 89 HD1 HIS 11 HD1 HIS 11 50.782 15.668 -4.855 90 HD2 HIS 11 HD2 HIS 11 46.737 16.783 -4.563 91 HE1 HIS 11 HE1 HIS 11 50.609 18.109 -5.593 92 H GLY 12 HN GLY 12 49.670 12.887 -0.947 93 HA2 GLY 12 HA1 GLY 12 50.455 14.004 1.081 94 HA3 GLY 12 HA2 GLY 12 49.851 15.551 0.452 95 H GLY 13 HN GLY 13 48.063 12.536 0.137 96 HA2 GLY 13 HA1 GLY 13 46.057 11.858 1.068 97 HA3 GLY 13 HA2 GLY 13 46.508 12.760 2.528 98 H ARG 14 HN ARG 14 46.510 14.575 -0.385 99 HA ARG 14 HA ARG 14 44.200 16.137 0.586 100 HB2 ARG 14 HB2 ARG 14 46.171 16.432 -1.706 101 HB3 ARG 14 HB1 ARG 14 44.753 17.495 -1.557 102 HG2 ARG 14 HG2 ARG 14 46.565 17.110 0.852 103 HG3 ARG 14 HG1 ARG 14 47.084 18.194 -0.457 104 HD2 ARG 14 HD2 ARG 14 44.315 18.447 0.778 105 HD3 ARG 14 HD1 ARG 14 45.733 19.235 1.506 106 HE ARG 14 HE ARG 14 45.735 19.910 -1.243 107 HH11 ARG 14 HH11 ARG 14 44.264 20.599 1.770 108 HH12 ARG 14 HH12 ARG 14 43.386 21.976 1.191 109 HH21 ARG 14 HH21 ARG 14 44.395 21.564 -2.101 110 HH22 ARG 14 HH22 ARG 14 43.460 22.521 -1.000 111 H PHE 15 HN PHE 15 44.825 13.548 -1.611 112 HA PHE 15 HA PHE 15 42.936 13.907 -3.641 113 HB2 PHE 15 HB2 PHE 15 44.467 11.950 -3.412 114 HB3 PHE 15 HB1 PHE 15 43.432 11.324 -2.106 115 HD1 PHE 15 HD1 PHE 15 43.646 12.053 -5.741 116 HD2 PHE 15 HD2 PHE 15 41.219 10.406 -2.575 117 HE1 PHE 15 HE1 PHE 15 42.133 11.029 -7.435 118 HE2 PHE 15 HE2 PHE 15 39.706 9.381 -4.269 119 HZ PHE 15 HZ PHE 15 40.124 9.753 -6.696 120 H ILE 16 HN ILE 16 42.434 12.983 -0.252 121 HA ILE 16 HA ILE 16 39.522 12.635 -0.670 122 HB ILE 16 HB ILE 16 41.077 12.716 1.953 123 HG12 ILE 16 HG12 ILE 16 41.811 10.914 0.214 124 HG13 ILE 16 HG11 ILE 16 41.399 10.372 1.850 125 HG21 ILE 16 HG21 ILE 16 39.077 11.333 2.709 126 HG22 ILE 16 HG22 ILE 16 38.302 11.757 1.164 127 HG23 ILE 16 HG23 ILE 16 38.732 13.035 2.324 128 HD11 ILE 16 HD1 ILE 16 39.397 10.350 -0.453 129 HD12 ILE 16 HD2 ILE 16 39.238 9.568 1.135 130 HD13 ILE 16 HD3 ILE 16 40.428 8.965 -0.039 131 H HIS 17 HN HIS 17 41.185 14.483 1.924 132 HA HIS 17 HA HIS 17 40.289 17.062 1.002 133 HB2 HIS 17 HB2 HIS 17 38.039 16.139 1.527 134 HB3 HIS 17 HB1 HIS 17 38.574 15.824 3.193 135 HD1 HIS 17 HD1 HIS 17 40.107 18.878 1.868 136 HD2 HIS 17 HD2 HIS 17 36.432 17.908 3.665 137 HE1 HIS 17 HE1 HIS 17 39.081 21.054 2.725 138 H GLY 18 HN GLY 18 42.702 16.239 1.890 139 HA2 GLY 18 HA1 GLY 18 44.114 17.694 3.330 140 HA3 GLY 18 HA2 GLY 18 42.912 17.494 4.623 141 H MET 19 HN MET 19 42.350 14.802 4.149 142 HA MET 19 HA MET 19 43.854 12.794 3.907 143 HB2 MET 19 HB2 MET 19 45.956 13.569 4.677 144 HB3 MET 19 HB1 MET 19 45.274 14.145 6.198 145 HG2 MET 19 HG2 MET 19 46.533 12.050 6.521 146 HG3 MET 19 HG1 MET 19 44.813 11.772 6.857 147 HE1 MET 19 HE1 MET 19 45.970 9.380 6.732 148 HE2 MET 19 HE2 MET 19 47.444 9.717 5.793 149 HE3 MET 19 HE3 MET 19 46.284 8.497 5.219 150 H ILE 20 HN ILE 20 41.888 11.961 3.936 151 HA ILE 20 HA ILE 20 40.071 10.871 4.889 152 HB ILE 20 HB ILE 20 41.469 10.893 7.609 153 HG12 ILE 20 HG12 ILE 20 42.005 9.029 5.249 154 HG13 ILE 20 HG11 ILE 20 43.165 10.141 6.005 155 HG21 ILE 20 HG21 ILE 20 40.178 8.933 8.031 156 HG22 ILE 20 HG22 ILE 20 39.826 8.684 6.303 157 HG23 ILE 20 HG23 ILE 20 39.053 10.019 7.186 158 HD11 ILE 20 HD1 ILE 20 41.949 7.619 7.171 159 HD12 ILE 20 HD2 ILE 20 42.700 8.858 8.207 160 HD13 ILE 20 HD3 ILE 20 43.667 8.027 6.965 161 H GLN 21 HN GLN 21 40.839 13.716 4.897 162 HA GLN 21 HA GLN 21 39.555 15.651 5.341 163 HB2 GLN 21 HB2 GLN 21 37.649 14.000 6.197 164 HB3 GLN 21 HB1 GLN 21 38.276 14.412 7.811 165 HG2 GLN 21 HG2 GLN 21 38.041 16.866 7.161 166 HG3 GLN 21 HG1 GLN 21 37.166 16.318 5.711 167 HE21 GLN 21 HE21 GLN 21 34.946 16.420 6.006 168 HE22 GLN 21 HE22 GLN 21 34.123 16.076 7.531 169 H ASN 22 HN ASN 22 42.048 14.587 6.109 170 HA ASN 22 HA ASN 22 43.768 14.823 7.608 171 HB2 ASN 22 HB2 ASN 22 43.852 16.969 6.664 172 HB3 ASN 22 HB1 ASN 22 42.482 17.553 7.654 173 HD21 ASN 22 HD21 ASN 22 44.256 19.280 8.224 174 HD22 ASN 22 HD22 ASN 22 45.309 18.883 9.587 175 H HIS 23 HN HIS 23 42.368 13.202 8.670 176 HA HIS 23 HA HIS 23 41.102 13.998 11.183 177 HB2 HIS 23 HB2 HIS 23 40.525 11.929 9.895 178 HB3 HIS 23 HB1 HIS 23 42.112 11.256 10.336 179 HD1 HIS 23 HD1 HIS 23 42.580 10.868 12.935 180 HD2 HIS 23 HD2 HIS 23 38.613 11.868 11.963 181 HE1 HIS 23 HE1 HIS 23 41.128 10.268 14.950 182 H HIS 24 HN HIS 24 41.789 13.238 13.321 183 HA HIS 24 HA HIS 24 44.368 14.196 14.002 184 HB2 HIS 24 HB2 HIS 24 42.432 13.899 15.572 185 HB3 HIS 24 HB1 HIS 24 42.727 12.144 15.538 186 HD1 HIS 24 HD1 HIS 24 43.840 11.550 17.692 187 HD2 HIS 24 HD2 HIS 24 45.330 15.138 16.086 188 HE1 HIS 24 HE1 HIS 24 45.787 12.296 19.170 Start of MODEL 91 1 H1 PHE 1 HT1 PHE 1 62.481 -0.449 -9.332 2 H2 PHE 1 HT2 PHE 1 62.891 -0.091 -7.722 3 H3 PHE 1 HT3 PHE 1 61.740 0.854 -8.541 4 HA PHE 1 HA PHE 1 60.700 -1.589 -8.790 5 HB2 PHE 1 HB2 PHE 1 62.430 -2.517 -7.286 6 HB3 PHE 1 HB1 PHE 1 61.957 -1.351 -6.026 7 HD1 PHE 1 HD1 PHE 1 61.050 -4.451 -7.792 8 HD2 PHE 1 HD2 PHE 1 59.719 -1.489 -4.950 9 HE1 PHE 1 HE1 PHE 1 59.237 -5.987 -7.041 10 HE2 PHE 1 HE2 PHE 1 57.905 -3.025 -4.198 11 HZ PHE 1 HZ PHE 1 57.622 -5.244 -5.295 12 H LEU 2 HN LEU 2 61.171 1.317 -6.879 13 HA LEU 2 HA LEU 2 58.857 1.439 -5.344 14 HB2 LEU 2 HB2 LEU 2 59.080 3.810 -5.358 15 HB3 LEU 2 HB1 LEU 2 60.724 3.165 -5.538 16 HG LEU 2 HG LEU 2 58.943 4.325 -7.729 17 HD11 LEU 2 HD11 LEU 2 60.228 5.867 -6.180 18 HD12 LEU 2 HD12 LEU 2 60.672 6.008 -7.899 19 HD13 LEU 2 HD13 LEU 2 61.727 5.115 -6.776 20 HD21 LEU 2 HD21 LEU 2 60.052 2.476 -8.779 21 HD22 LEU 2 HD22 LEU 2 61.560 2.770 -7.880 22 HD23 LEU 2 HD23 LEU 2 61.052 3.895 -9.163 23 H GLY 3 HN GLY 3 56.957 3.041 -5.805 24 HA2 GLY 3 HA1 GLY 3 55.910 3.412 -8.383 25 HA3 GLY 3 HA2 GLY 3 55.384 1.795 -7.878 26 H ALA 4 HN ALA 4 55.611 3.121 -4.997 27 HA ALA 4 HA ALA 4 53.437 5.022 -4.936 28 HB1 ALA 4 HB1 ALA 4 52.048 3.129 -5.525 29 HB2 ALA 4 HB2 ALA 4 51.770 3.535 -3.815 30 HB3 ALA 4 HB3 ALA 4 52.786 2.138 -4.246 31 H LEU 5 HN LEU 5 54.745 6.151 -3.532 32 HA LEU 5 HA LEU 5 54.515 5.435 -0.755 33 HB2 LEU 5 HB2 LEU 5 56.272 3.814 -1.248 34 HB3 LEU 5 HB1 LEU 5 57.249 5.062 -2.048 35 HG LEU 5 HG LEU 5 57.548 6.256 0.075 36 HD11 LEU 5 HD11 LEU 5 55.555 4.192 1.085 37 HD12 LEU 5 HD12 LEU 5 55.530 5.960 1.289 38 HD13 LEU 5 HD13 LEU 5 56.696 4.979 2.202 39 HD21 LEU 5 HD21 LEU 5 58.935 4.624 1.210 40 HD22 LEU 5 HD22 LEU 5 59.016 4.285 -0.536 41 HD23 LEU 5 HD23 LEU 5 58.000 3.276 0.522 42 H ILE 6 HN ILE 6 55.974 7.298 -3.356 43 HA ILE 6 HA ILE 6 56.287 9.663 -1.459 44 HB ILE 6 HB ILE 6 57.851 10.575 -3.168 45 HG12 ILE 6 HG12 ILE 6 57.392 7.915 -4.604 46 HG13 ILE 6 HG11 ILE 6 56.837 9.502 -5.176 47 HG21 ILE 6 HG21 ILE 6 59.702 9.140 -2.682 48 HG22 ILE 6 HG22 ILE 6 58.656 7.704 -2.565 49 HG23 ILE 6 HG23 ILE 6 58.586 8.963 -1.309 50 HD11 ILE 6 HD1 ILE 6 59.342 10.212 -5.021 51 HD12 ILE 6 HD2 ILE 6 58.857 9.149 -6.364 52 HD13 ILE 6 HD3 ILE 6 59.679 8.465 -4.943 53 H LYS 7 HN LYS 7 56.545 11.389 -3.962 54 HA LYS 7 HA LYS 7 55.022 12.944 -4.790 55 HB2 LYS 7 HB2 LYS 7 53.314 10.424 -5.131 56 HB3 LYS 7 HB1 LYS 7 52.781 12.037 -5.657 57 HG2 LYS 7 HG2 LYS 7 54.764 12.221 -7.128 58 HG3 LYS 7 HG1 LYS 7 55.300 10.605 -6.606 59 HD2 LYS 7 HD2 LYS 7 53.100 9.684 -7.439 60 HD3 LYS 7 HD1 LYS 7 52.742 11.291 -8.114 61 HE2 LYS 7 HE2 LYS 7 54.920 11.151 -9.396 62 HE3 LYS 7 HE1 LYS 7 55.072 9.467 -8.843 63 HZ1 LYS 7 HZ1 LYS 7 53.137 10.653 -10.714 64 HZ2 LYS 7 HZ2 LYS 7 52.649 9.322 -9.777 65 HZ3 LYS 7 HZ3 LYS 7 53.984 9.185 -10.819 66 H GLY 8 HN GLY 8 55.519 11.960 -2.320 67 HA2 GLY 8 HA1 GLY 8 54.923 11.682 -0.198 68 HA3 GLY 8 HA2 GLY 8 54.322 13.374 -0.388 69 H ALA 9 HN ALA 9 53.495 9.949 -0.545 70 HA ALA 9 HA ALA 9 51.527 8.816 -0.181 71 HB1 ALA 9 HB1 ALA 9 50.512 11.345 1.152 72 HB2 ALA 9 HB2 ALA 9 51.638 10.214 1.940 73 HB3 ALA 9 HB3 ALA 9 50.014 9.666 1.461 74 H ILE 10 HN ILE 10 51.445 9.138 -2.592 75 HA ILE 10 HA ILE 10 50.145 9.439 -4.468 76 HB ILE 10 HB ILE 10 48.076 9.758 -2.286 77 HG12 ILE 10 HG12 ILE 10 46.949 7.995 -3.611 78 HG13 ILE 10 HG11 ILE 10 48.205 8.139 -4.866 79 HG21 ILE 10 HG21 ILE 10 47.292 11.597 -3.572 80 HG22 ILE 10 HG22 ILE 10 46.311 10.211 -4.104 81 HG23 ILE 10 HG23 ILE 10 47.661 10.783 -5.114 82 HD11 ILE 10 HD1 ILE 10 49.916 7.355 -3.371 83 HD12 ILE 10 HD2 ILE 10 48.537 6.252 -3.164 84 HD13 ILE 10 HD3 ILE 10 48.851 7.521 -1.955 85 H HIS 11 HN HIS 11 49.054 12.118 -2.322 86 HA HIS 11 HA HIS 11 50.522 14.065 -3.984 87 HB2 HIS 11 HB2 HIS 11 48.385 13.731 -5.239 88 HB3 HIS 11 HB1 HIS 11 47.482 14.175 -3.771 89 HD1 HIS 11 HD1 HIS 11 47.630 16.655 -2.940 90 HD2 HIS 11 HD2 HIS 11 49.542 15.910 -6.610 91 HE1 HIS 11 HE1 HIS 11 48.176 18.920 -3.987 92 H GLY 12 HN GLY 12 49.454 12.829 -1.171 93 HA2 GLY 12 HA1 GLY 12 50.155 13.815 0.927 94 HA3 GLY 12 HA2 GLY 12 49.853 15.436 0.272 95 H GLY 13 HN GLY 13 47.860 12.457 0.291 96 HA2 GLY 13 HA1 GLY 13 45.645 12.184 0.920 97 HA3 GLY 13 HA2 GLY 13 46.138 13.048 2.389 98 H ARG 14 HN ARG 14 45.147 13.604 -1.009 99 HA ARG 14 HA ARG 14 43.194 15.604 -0.130 100 HB2 ARG 14 HB2 ARG 14 45.511 16.784 -0.205 101 HB3 ARG 14 HB1 ARG 14 45.408 16.592 -1.967 102 HG2 ARG 14 HG2 ARG 14 44.516 18.765 -1.504 103 HG3 ARG 14 HG1 ARG 14 43.118 17.729 -1.845 104 HD2 ARG 14 HD2 ARG 14 42.405 17.730 0.397 105 HD3 ARG 14 HD1 ARG 14 44.035 18.059 1.029 106 HE ARG 14 HE ARG 14 43.269 20.315 -0.497 107 HH11 ARG 14 HH11 ARG 14 40.648 19.433 0.880 108 HH12 ARG 14 HH12 ARG 14 40.695 20.420 2.304 109 HH21 ARG 14 HH21 ARG 14 44.050 21.224 1.955 110 HH22 ARG 14 HH22 ARG 14 42.622 21.433 2.912 111 H PHE 15 HN PHE 15 44.642 13.463 -2.373 112 HA PHE 15 HA PHE 15 42.768 14.253 -4.574 113 HB2 PHE 15 HB2 PHE 15 45.247 13.641 -4.958 114 HB3 PHE 15 HB1 PHE 15 44.782 11.965 -4.582 115 HD1 PHE 15 HD1 PHE 15 43.740 14.881 -6.735 116 HD2 PHE 15 HD2 PHE 15 43.975 10.589 -6.339 117 HE1 PHE 15 HE1 PHE 15 42.899 14.619 -9.065 118 HE2 PHE 15 HE2 PHE 15 43.132 10.329 -8.668 119 HZ PHE 15 HZ PHE 15 42.527 12.342 -10.005 120 H ILE 16 HN ILE 16 43.110 12.192 -1.891 121 HA ILE 16 HA ILE 16 40.548 10.870 -2.489 122 HB ILE 16 HB ILE 16 41.315 8.594 -2.124 123 HG12 ILE 16 HG12 ILE 16 43.229 8.608 -0.740 124 HG13 ILE 16 HG11 ILE 16 43.914 8.184 -2.312 125 HG21 ILE 16 HG21 ILE 16 43.044 9.857 -4.287 126 HG22 ILE 16 HG22 ILE 16 41.295 9.578 -4.434 127 HG23 ILE 16 HG23 ILE 16 42.403 8.201 -4.241 128 HD11 ILE 16 HD1 ILE 16 43.977 10.910 -0.947 129 HD12 ILE 16 HD2 ILE 16 44.478 10.643 -2.634 130 HD13 ILE 16 HD3 ILE 16 45.346 9.842 -1.313 131 H HIS 17 HN HIS 17 41.046 12.830 -0.690 132 HA HIS 17 HA HIS 17 40.734 11.359 1.901 133 HB2 HIS 17 HB2 HIS 17 43.113 12.152 1.709 134 HB3 HIS 17 HB1 HIS 17 42.500 13.817 1.568 135 HD1 HIS 17 HD1 HIS 17 41.650 14.986 3.679 136 HD2 HIS 17 HD2 HIS 17 42.529 10.921 4.291 137 HE1 HIS 17 HE1 HIS 17 41.600 14.567 6.199 138 H GLY 18 HN GLY 18 40.215 14.182 -0.162 139 HA2 GLY 18 HA1 GLY 18 38.860 15.910 1.592 140 HA3 GLY 18 HA2 GLY 18 38.452 15.694 -0.133 141 H MET 19 HN MET 19 37.687 13.237 -0.325 142 HA MET 19 HA MET 19 35.850 12.218 1.521 143 HB2 MET 19 HB2 MET 19 34.694 14.483 0.865 144 HB3 MET 19 HB1 MET 19 34.329 13.624 -0.642 145 HG2 MET 19 HG2 MET 19 32.426 13.205 0.700 146 HG3 MET 19 HG1 MET 19 33.401 11.738 0.934 147 HE1 MET 19 HE1 MET 19 32.729 15.271 3.751 148 HE2 MET 19 HE2 MET 19 31.394 14.428 2.930 149 HE3 MET 19 HE3 MET 19 32.665 15.227 1.973 150 H ILE 20 HN ILE 20 37.873 11.917 -0.672 151 HA ILE 20 HA ILE 20 38.242 10.364 -2.345 152 HB ILE 20 HB ILE 20 35.598 8.992 -1.656 153 HG12 ILE 20 HG12 ILE 20 36.649 9.191 0.490 154 HG13 ILE 20 HG11 ILE 20 37.003 7.547 -0.071 155 HG21 ILE 20 HG21 ILE 20 36.559 8.067 -3.612 156 HG22 ILE 20 HG22 ILE 20 37.047 6.955 -2.317 157 HG23 ILE 20 HG23 ILE 20 38.208 8.133 -2.960 158 HD11 ILE 20 HD1 ILE 20 38.876 9.957 -0.080 159 HD12 ILE 20 HD2 ILE 20 39.245 8.435 -0.921 160 HD13 ILE 20 HD3 ILE 20 39.048 8.448 0.842 161 H GLN 21 HN GLN 21 35.723 12.453 -1.790 162 HA GLN 21 HA GLN 21 35.008 12.479 -4.758 163 HB2 GLN 21 HB2 GLN 21 33.199 11.359 -3.469 164 HB3 GLN 21 HB1 GLN 21 33.045 12.812 -2.456 165 HG2 GLN 21 HG2 GLN 21 32.321 14.152 -4.307 166 HG3 GLN 21 HG1 GLN 21 32.799 12.910 -5.489 167 HE21 GLN 21 HE21 GLN 21 30.102 14.221 -4.008 168 HE22 GLN 21 HE22 GLN 21 29.038 12.814 -4.080 169 H ASN 22 HN ASN 22 36.004 14.204 -1.897 170 HA ASN 22 HA ASN 22 35.218 16.818 -3.193 171 HB2 ASN 22 HB2 ASN 22 34.462 16.384 -0.827 172 HB3 ASN 22 HB1 ASN 22 36.174 16.314 -0.350 173 HD21 ASN 22 HD21 ASN 22 35.502 18.284 1.024 174 HD22 ASN 22 HD22 ASN 22 35.556 19.862 0.231 175 H HIS 23 HN HIS 23 37.832 14.720 -2.229 176 HA HIS 23 HA HIS 23 40.127 14.955 -2.396 177 HB2 HIS 23 HB2 HIS 23 39.253 16.758 -4.684 178 HB3 HIS 23 HB1 HIS 23 40.922 16.198 -4.428 179 HD1 HIS 23 HD1 HIS 23 40.214 15.126 -6.952 180 HD2 HIS 23 HD2 HIS 23 38.740 13.291 -3.468 181 HE1 HIS 23 HE1 HIS 23 39.464 12.769 -7.592 182 H HIS 24 HN HIS 24 39.574 18.226 -3.634 183 HA HIS 24 HA HIS 24 41.420 19.365 -1.721 184 HB2 HIS 24 HB2 HIS 24 39.379 20.706 -3.538 185 HB3 HIS 24 HB1 HIS 24 40.709 21.528 -2.687 186 HD1 HIS 24 HD1 HIS 24 42.884 19.264 -3.144 187 HD2 HIS 24 HD2 HIS 24 40.484 21.012 -6.122 188 HE1 HIS 24 HE1 HIS 24 44.071 18.918 -5.381 Start of MODEL 92 1 H1 PHE 1 HT1 PHE 1 53.702 6.925 -12.477 2 H2 PHE 1 HT2 PHE 1 54.064 7.812 -11.075 3 H3 PHE 1 HT3 PHE 1 52.760 8.271 -12.062 4 HA PHE 1 HA PHE 1 52.069 7.149 -10.033 5 HB2 PHE 1 HB2 PHE 1 51.526 5.752 -12.682 6 HB3 PHE 1 HB1 PHE 1 50.574 5.515 -11.196 7 HD1 PHE 1 HD1 PHE 1 49.129 7.288 -10.319 8 HD2 PHE 1 HD2 PHE 1 51.467 7.892 -13.897 9 HE1 PHE 1 HE1 PHE 1 47.799 9.329 -10.843 10 HE2 PHE 1 HE2 PHE 1 50.136 9.932 -14.421 11 HZ PHE 1 HZ PHE 1 48.277 10.629 -12.915 12 H LEU 2 HN LEU 2 54.668 6.479 -9.737 13 HA LEU 2 HA LEU 2 55.118 3.626 -10.159 14 HB2 LEU 2 HB2 LEU 2 56.608 5.373 -8.172 15 HB3 LEU 2 HB1 LEU 2 57.209 3.980 -9.103 16 HG LEU 2 HG LEU 2 56.421 6.711 -10.214 17 HD11 LEU 2 HD11 LEU 2 58.779 6.951 -10.706 18 HD12 LEU 2 HD12 LEU 2 59.107 5.271 -10.221 19 HD13 LEU 2 HD13 LEU 2 58.640 6.476 -8.997 20 HD21 LEU 2 HD21 LEU 2 55.792 5.098 -11.876 21 HD22 LEU 2 HD22 LEU 2 57.233 4.100 -11.561 22 HD23 LEU 2 HD23 LEU 2 57.400 5.679 -12.367 23 H GLY 3 HN GLY 3 55.232 1.981 -8.592 24 HA2 GLY 3 HA1 GLY 3 53.088 1.920 -6.747 25 HA3 GLY 3 HA2 GLY 3 54.476 0.815 -6.745 26 H ALA 4 HN ALA 4 55.995 3.628 -6.520 27 HA ALA 4 HA ALA 4 56.432 3.349 -3.658 28 HB1 ALA 4 HB1 ALA 4 58.198 4.053 -5.242 29 HB2 ALA 4 HB2 ALA 4 57.953 5.243 -3.941 30 HB3 ALA 4 HB3 ALA 4 57.294 5.552 -5.566 31 H LEU 5 HN LEU 5 55.624 4.474 -1.981 32 HA LEU 5 HA LEU 5 53.232 6.094 -2.467 33 HB2 LEU 5 HB2 LEU 5 54.773 5.228 0.003 34 HB3 LEU 5 HB1 LEU 5 53.415 6.371 0.111 35 HG LEU 5 HG LEU 5 51.892 4.748 -0.883 36 HD11 LEU 5 HD11 LEU 5 54.439 3.131 -1.287 37 HD12 LEU 5 HD12 LEU 5 53.210 3.590 -2.492 38 HD13 LEU 5 HD13 LEU 5 52.836 2.358 -1.266 39 HD21 LEU 5 HD21 LEU 5 52.311 4.602 1.557 40 HD22 LEU 5 HD22 LEU 5 53.647 3.463 1.262 41 HD23 LEU 5 HD23 LEU 5 51.975 2.994 0.872 42 H ILE 6 HN ILE 6 55.677 7.149 -3.638 43 HA ILE 6 HA ILE 6 56.449 9.448 -1.898 44 HB ILE 6 HB ILE 6 57.939 8.139 -3.681 45 HG12 ILE 6 HG12 ILE 6 59.020 10.546 -4.277 46 HG13 ILE 6 HG11 ILE 6 57.848 11.108 -3.066 47 HG21 ILE 6 HG21 ILE 6 57.119 10.259 -5.664 48 HG22 ILE 6 HG22 ILE 6 56.055 8.842 -5.504 49 HG23 ILE 6 HG23 ILE 6 57.765 8.626 -5.937 50 HD11 ILE 6 HD1 ILE 6 58.774 9.223 -1.551 51 HD12 ILE 6 HD2 ILE 6 59.820 10.637 -1.826 52 HD13 ILE 6 HD3 ILE 6 60.116 9.122 -2.712 53 H LYS 7 HN LYS 7 56.620 11.315 -4.273 54 HA LYS 7 HA LYS 7 55.297 13.178 -4.734 55 HB2 LYS 7 HB2 LYS 7 53.190 10.983 -5.038 56 HB3 LYS 7 HB1 LYS 7 52.809 12.704 -5.287 57 HG2 LYS 7 HG2 LYS 7 54.418 12.875 -7.090 58 HG3 LYS 7 HG1 LYS 7 55.044 11.243 -6.753 59 HD2 LYS 7 HD2 LYS 7 52.763 10.317 -7.277 60 HD3 LYS 7 HD1 LYS 7 52.254 11.955 -7.756 61 HE2 LYS 7 HE2 LYS 7 52.971 10.585 -9.715 62 HE3 LYS 7 HE1 LYS 7 53.998 12.021 -9.488 63 HZ1 LYS 7 HZ1 LYS 7 55.747 10.766 -8.766 64 HZ2 LYS 7 HZ2 LYS 7 55.039 9.658 -9.842 65 HZ3 LYS 7 HZ3 LYS 7 54.775 9.512 -8.170 66 H GLY 8 HN GLY 8 55.924 11.874 -2.448 67 HA2 GLY 8 HA1 GLY 8 55.603 11.506 -0.294 68 HA3 GLY 8 HA2 GLY 8 55.242 13.276 -0.263 69 H ALA 9 HN ALA 9 53.956 10.018 -0.381 70 HA ALA 9 HA ALA 9 51.924 9.123 0.207 71 HB1 ALA 9 HB1 ALA 9 50.698 10.186 2.029 72 HB2 ALA 9 HB2 ALA 9 51.592 11.703 1.774 73 HB3 ALA 9 HB3 ALA 9 52.448 10.251 2.346 74 H ILE 10 HN ILE 10 51.675 9.800 -2.236 75 HA ILE 10 HA ILE 10 50.392 10.838 -3.907 76 HB ILE 10 HB ILE 10 47.923 10.277 -3.615 77 HG12 ILE 10 HG12 ILE 10 48.903 9.017 -1.008 78 HG13 ILE 10 HG11 ILE 10 47.969 10.527 -1.082 79 HG21 ILE 10 HG21 ILE 10 49.833 7.999 -2.934 80 HG22 ILE 10 HG22 ILE 10 49.686 8.710 -4.558 81 HG23 ILE 10 HG23 ILE 10 48.294 7.890 -3.819 82 HD11 ILE 10 HD1 ILE 10 46.237 9.130 -2.462 83 HD12 ILE 10 HD2 ILE 10 46.322 8.873 -0.705 84 HD13 ILE 10 HD3 ILE 10 47.094 7.714 -1.809 85 H HIS 11 HN HIS 11 51.259 12.983 -2.856 86 HA HIS 11 HA HIS 11 50.819 15.187 -2.265 87 HB2 HIS 11 HB2 HIS 11 48.250 14.576 -3.781 88 HB3 HIS 11 HB1 HIS 11 48.884 16.199 -3.420 89 HD1 HIS 11 HD1 HIS 11 51.128 16.930 -4.598 90 HD2 HIS 11 HD2 HIS 11 49.629 13.206 -5.852 91 HE1 HIS 11 HE1 HIS 11 52.338 16.311 -6.761 92 H GLY 12 HN GLY 12 50.079 13.174 -0.318 93 HA2 GLY 12 HA1 GLY 12 49.152 13.314 1.815 94 HA3 GLY 12 HA2 GLY 12 48.431 14.879 1.389 95 H GLY 13 HN GLY 13 47.307 13.407 -1.109 96 HA2 GLY 13 HA1 GLY 13 45.559 11.360 -0.476 97 HA3 GLY 13 HA2 GLY 13 44.740 12.805 0.145 98 H ARG 14 HN ARG 14 46.511 11.789 -2.852 99 HA ARG 14 HA ARG 14 45.910 12.302 -5.076 100 HB2 ARG 14 HB2 ARG 14 43.061 12.256 -4.127 101 HB3 ARG 14 HB1 ARG 14 43.742 11.659 -5.654 102 HG2 ARG 14 HG2 ARG 14 45.005 9.925 -4.327 103 HG3 ARG 14 HG1 ARG 14 44.088 10.441 -2.891 104 HD2 ARG 14 HD2 ARG 14 43.004 8.495 -3.952 105 HD3 ARG 14 HD1 ARG 14 41.964 9.934 -4.071 106 HE ARG 14 HE ARG 14 43.636 9.696 -6.415 107 HH11 ARG 14 HH11 ARG 14 42.465 6.919 -6.018 108 HH12 ARG 14 HH12 ARG 14 41.000 7.034 -6.935 109 HH21 ARG 14 HH21 ARG 14 41.053 10.498 -7.084 110 HH22 ARG 14 HH22 ARG 14 40.200 9.060 -7.538 111 H PHE 15 HN PHE 15 46.474 14.395 -3.202 112 HA PHE 15 HA PHE 15 46.573 16.708 -3.314 113 HB2 PHE 15 HB2 PHE 15 45.964 16.280 -5.860 114 HB3 PHE 15 HB1 PHE 15 44.352 16.842 -5.371 115 HD1 PHE 15 HD1 PHE 15 47.835 17.813 -6.003 116 HD2 PHE 15 HD2 PHE 15 44.048 19.134 -4.407 117 HE1 PHE 15 HE1 PHE 15 48.616 20.176 -6.105 118 HE2 PHE 15 HE2 PHE 15 44.830 21.497 -4.509 119 HZ PHE 15 HZ PHE 15 47.146 22.008 -5.273 120 H ILE 16 HN ILE 16 43.453 15.107 -3.521 121 HA ILE 16 HA ILE 16 42.541 15.962 -1.011 122 HB ILE 16 HB ILE 16 42.275 18.060 -2.983 123 HG12 ILE 16 HG12 ILE 16 40.932 17.822 -0.253 124 HG13 ILE 16 HG11 ILE 16 42.631 18.277 -0.504 125 HG21 ILE 16 HG21 ILE 16 39.857 18.490 -3.030 126 HG22 ILE 16 HG22 ILE 16 39.551 16.993 -2.120 127 HG23 ILE 16 HG23 ILE 16 40.204 16.916 -3.772 128 HD11 ILE 16 HD1 ILE 16 41.579 20.127 -2.119 129 HD12 ILE 16 HD2 ILE 16 41.620 20.389 -0.361 130 HD13 ILE 16 HD3 ILE 16 40.120 19.844 -1.140 131 H HIS 17 HN HIS 17 42.214 14.688 -4.188 132 HA HIS 17 HA HIS 17 40.854 12.364 -3.558 133 HB2 HIS 17 HB2 HIS 17 38.937 14.661 -3.563 134 HB3 HIS 17 HB1 HIS 17 38.398 13.259 -4.497 135 HD1 HIS 17 HD1 HIS 17 37.923 14.550 -1.290 136 HD2 HIS 17 HD2 HIS 17 39.088 10.753 -2.679 137 HE1 HIS 17 HE1 HIS 17 37.448 12.875 0.581 138 H GLY 18 HN GLY 18 42.767 13.232 -5.538 139 HA2 GLY 18 HA1 GLY 18 42.767 11.953 -7.722 140 HA3 GLY 18 HA2 GLY 18 41.202 12.711 -8.080 141 H MET 19 HN MET 19 41.611 15.146 -7.061 142 HA MET 19 HA MET 19 43.783 16.623 -7.606 143 HB2 MET 19 HB2 MET 19 42.849 15.631 -10.181 144 HB3 MET 19 HB1 MET 19 42.713 17.395 -10.137 145 HG2 MET 19 HG2 MET 19 45.076 17.607 -9.556 146 HG3 MET 19 HG1 MET 19 45.237 15.840 -9.415 147 HE1 MET 19 HE1 MET 19 46.111 14.433 -11.233 148 HE2 MET 19 HE2 MET 19 45.372 14.447 -12.852 149 HE3 MET 19 HE3 MET 19 44.348 14.261 -11.407 150 H ILE 20 HN ILE 20 42.730 17.500 -5.844 151 HA ILE 20 HA ILE 20 41.358 19.114 -4.870 152 HB ILE 20 HB ILE 20 40.565 20.128 -7.641 153 HG12 ILE 20 HG12 ILE 20 43.146 20.720 -6.112 154 HG13 ILE 20 HG11 ILE 20 43.026 19.896 -7.681 155 HG21 ILE 20 HG21 ILE 20 41.171 21.719 -5.114 156 HG22 ILE 20 HG22 ILE 20 39.571 21.002 -5.396 157 HG23 ILE 20 HG23 ILE 20 40.213 22.207 -6.531 158 HD11 ILE 20 HD1 ILE 20 41.813 22.037 -8.508 159 HD12 ILE 20 HD2 ILE 20 43.569 22.139 -8.239 160 HD13 ILE 20 HD3 ILE 20 42.445 22.803 -7.031 161 H GLN 21 HN GLN 21 40.774 16.524 -6.238 162 HA GLN 21 HA GLN 21 38.887 15.099 -5.912 163 HB2 GLN 21 HB2 GLN 21 37.635 17.119 -4.757 164 HB3 GLN 21 HB1 GLN 21 36.956 17.415 -6.376 165 HG2 GLN 21 HG2 GLN 21 36.254 14.958 -6.405 166 HG3 GLN 21 HG1 GLN 21 36.693 14.897 -4.681 167 HE21 GLN 21 HE21 GLN 21 34.048 15.282 -6.667 168 HE22 GLN 21 HE22 GLN 21 33.054 16.298 -5.618 169 H ASN 22 HN ASN 22 40.530 16.021 -8.000 170 HA ASN 22 HA ASN 22 40.671 16.198 -10.294 171 HB2 ASN 22 HB2 ASN 22 39.507 14.344 -11.496 172 HB3 ASN 22 HB1 ASN 22 40.426 13.834 -10.049 173 HD21 ASN 22 HD21 ASN 22 37.128 14.378 -11.355 174 HD22 ASN 22 HD22 ASN 22 36.299 13.501 -10.063 175 H HIS 23 HN HIS 23 39.393 18.235 -9.385 176 HA HIS 23 HA HIS 23 37.713 19.818 -9.817 177 HB2 HIS 23 HB2 HIS 23 37.504 20.345 -12.239 178 HB3 HIS 23 HB1 HIS 23 39.194 20.095 -11.740 179 HD1 HIS 23 HD1 HIS 23 36.390 18.553 -13.752 180 HD2 HIS 23 HD2 HIS 23 40.428 17.803 -12.856 181 HE1 HIS 23 HE1 HIS 23 37.171 16.661 -15.281 182 H HIS 24 HN HIS 24 36.453 17.590 -8.889 183 HA HIS 24 HA HIS 24 34.425 16.457 -8.919 184 HB2 HIS 24 HB2 HIS 24 33.669 18.846 -8.792 185 HB3 HIS 24 HB1 HIS 24 33.508 18.847 -10.564 186 HD1 HIS 24 HD1 HIS 24 32.669 15.519 -9.668 187 HD2 HIS 24 HD2 HIS 24 30.652 19.186 -9.258 188 HE1 HIS 24 HE1 HIS 24 30.180 14.995 -9.425 Start of MODEL 93 1 H1 PHE 1 HT1 PHE 1 60.475 -2.070 -3.898 2 H2 PHE 1 HT2 PHE 1 60.875 -2.984 -5.272 3 H3 PHE 1 HT3 PHE 1 59.257 -2.861 -4.770 4 HA PHE 1 HA PHE 1 60.958 -0.676 -5.788 5 HB2 PHE 1 HB2 PHE 1 58.451 -1.880 -7.013 6 HB3 PHE 1 HB1 PHE 1 59.600 -0.741 -7.757 7 HD1 PHE 1 HD1 PHE 1 58.983 -4.253 -6.797 8 HD2 PHE 1 HD2 PHE 1 61.842 -1.488 -8.474 9 HE1 PHE 1 HE1 PHE 1 60.342 -6.167 -7.636 10 HE2 PHE 1 HE2 PHE 1 63.202 -3.403 -9.312 11 HZ PHE 1 HZ PHE 1 62.468 -5.740 -8.864 12 H LEU 2 HN LEU 2 58.739 0.717 -6.843 13 HA LEU 2 HA LEU 2 56.764 1.164 -4.755 14 HB2 LEU 2 HB2 LEU 2 57.636 3.656 -4.470 15 HB3 LEU 2 HB1 LEU 2 58.323 2.351 -3.478 16 HG LEU 2 HG LEU 2 60.233 2.134 -4.988 17 HD11 LEU 2 HD11 LEU 2 58.695 4.173 -6.645 18 HD12 LEU 2 HD12 LEU 2 59.328 2.587 -7.152 19 HD13 LEU 2 HD13 LEU 2 60.448 3.931 -6.839 20 HD21 LEU 2 HD21 LEU 2 60.218 3.898 -3.179 21 HD22 LEU 2 HD22 LEU 2 59.717 5.083 -4.409 22 HD23 LEU 2 HD23 LEU 2 61.298 4.276 -4.542 23 H GLY 3 HN GLY 3 55.662 3.434 -5.226 24 HA2 GLY 3 HA1 GLY 3 55.745 4.674 -7.716 25 HA3 GLY 3 HA2 GLY 3 54.742 3.231 -7.969 26 H ALA 4 HN ALA 4 54.706 4.484 -4.779 27 HA ALA 4 HA ALA 4 52.529 6.396 -5.202 28 HB1 ALA 4 HB1 ALA 4 50.890 5.037 -3.838 29 HB2 ALA 4 HB2 ALA 4 51.963 3.636 -4.071 30 HB3 ALA 4 HB3 ALA 4 51.199 4.416 -5.476 31 H LEU 5 HN LEU 5 54.857 4.686 -3.326 32 HA LEU 5 HA LEU 5 54.161 5.570 -0.702 33 HB2 LEU 5 HB2 LEU 5 55.926 3.846 -1.366 34 HB3 LEU 5 HB1 LEU 5 56.976 5.215 -1.793 35 HG LEU 5 HG LEU 5 56.409 6.071 0.660 36 HD11 LEU 5 HD11 LEU 5 56.147 4.129 2.244 37 HD12 LEU 5 HD12 LEU 5 55.824 3.077 0.849 38 HD13 LEU 5 HD13 LEU 5 54.710 4.409 1.238 39 HD21 LEU 5 HD21 LEU 5 58.333 4.739 1.546 40 HD22 LEU 5 HD22 LEU 5 58.659 5.415 -0.068 41 HD23 LEU 5 HD23 LEU 5 58.241 3.694 0.108 42 H ILE 6 HN ILE 6 56.372 6.985 -3.146 43 HA ILE 6 HA ILE 6 56.614 9.484 -1.505 44 HB ILE 6 HB ILE 6 58.166 10.214 -3.296 45 HG12 ILE 6 HG12 ILE 6 57.305 7.630 -4.682 46 HG13 ILE 6 HG11 ILE 6 57.013 9.286 -5.258 47 HG21 ILE 6 HG21 ILE 6 58.865 8.550 -1.465 48 HG22 ILE 6 HG22 ILE 6 59.912 8.621 -2.902 49 HG23 ILE 6 HG23 ILE 6 58.752 7.284 -2.712 50 HD11 ILE 6 HD1 ILE 6 58.907 8.576 -6.499 51 HD12 ILE 6 HD2 ILE 6 59.642 7.776 -5.090 52 HD13 ILE 6 HD3 ILE 6 59.605 9.555 -5.186 53 H LYS 7 HN LYS 7 56.844 11.180 -3.957 54 HA LYS 7 HA LYS 7 55.347 12.755 -4.797 55 HB2 LYS 7 HB2 LYS 7 54.541 10.575 -6.097 56 HB3 LYS 7 HB1 LYS 7 53.175 10.619 -4.960 57 HG2 LYS 7 HG2 LYS 7 52.624 12.914 -5.670 58 HG3 LYS 7 HG1 LYS 7 54.025 12.936 -6.763 59 HD2 LYS 7 HD2 LYS 7 51.942 10.738 -7.046 60 HD3 LYS 7 HD1 LYS 7 51.611 12.350 -7.716 61 HE2 LYS 7 HE2 LYS 7 54.024 10.600 -8.380 62 HE3 LYS 7 HE1 LYS 7 52.623 10.900 -9.431 63 HZ1 LYS 7 HZ1 LYS 7 53.680 13.358 -8.526 64 HZ2 LYS 7 HZ2 LYS 7 53.547 12.774 -10.116 65 HZ3 LYS 7 HZ3 LYS 7 54.934 12.432 -9.195 66 H GLY 8 HN GLY 8 55.848 11.756 -2.332 67 HA2 GLY 8 HA1 GLY 8 55.298 11.510 -0.203 68 HA3 GLY 8 HA2 GLY 8 54.708 13.206 -0.386 69 H ALA 9 HN ALA 9 53.855 9.791 -0.496 70 HA ALA 9 HA ALA 9 51.898 8.669 -0.055 71 HB1 ALA 9 HB1 ALA 9 50.404 9.558 1.568 72 HB2 ALA 9 HB2 ALA 9 50.848 11.236 1.173 73 HB3 ALA 9 HB3 ALA 9 52.015 10.178 2.002 74 H ILE 10 HN ILE 10 51.782 8.850 -2.471 75 HA ILE 10 HA ILE 10 50.470 9.086 -4.348 76 HB ILE 10 HB ILE 10 48.431 9.513 -2.154 77 HG12 ILE 10 HG12 ILE 10 48.036 7.810 -4.629 78 HG13 ILE 10 HG11 ILE 10 49.239 7.293 -3.429 79 HG21 ILE 10 HG21 ILE 10 46.649 9.844 -4.025 80 HG22 ILE 10 HG22 ILE 10 48.002 10.425 -5.016 81 HG23 ILE 10 HG23 ILE 10 47.585 11.262 -3.499 82 HD11 ILE 10 HD1 ILE 10 46.791 6.421 -3.171 83 HD12 ILE 10 HD2 ILE 10 46.428 8.051 -2.559 84 HD13 ILE 10 HD3 ILE 10 47.622 7.034 -1.723 85 H HIS 11 HN HIS 11 49.305 11.841 -2.348 86 HA HIS 11 HA HIS 11 50.825 13.738 -4.015 87 HB2 HIS 11 HB2 HIS 11 48.803 13.313 -5.401 88 HB3 HIS 11 HB1 HIS 11 47.776 13.759 -4.016 89 HD1 HIS 11 HD1 HIS 11 50.965 15.666 -4.464 90 HD2 HIS 11 HD2 HIS 11 46.919 16.086 -5.534 91 HE1 HIS 11 HE1 HIS 11 50.623 18.085 -5.210 92 H GLY 12 HN GLY 12 49.791 12.622 -1.201 93 HA2 GLY 12 HA1 GLY 12 50.446 13.891 0.807 94 HA3 GLY 12 HA2 GLY 12 49.751 15.354 0.083 95 H GLY 13 HN GLY 13 48.079 12.326 -0.328 96 HA2 GLY 13 HA1 GLY 13 46.097 11.538 0.573 97 HA3 GLY 13 HA2 GLY 13 46.496 12.413 2.065 98 H ARG 14 HN ARG 14 46.015 13.713 -1.217 99 HA ARG 14 HA ARG 14 43.478 15.030 -0.280 100 HB2 ARG 14 HB2 ARG 14 45.816 16.365 -1.704 101 HB3 ARG 14 HB1 ARG 14 44.220 17.107 -1.462 102 HG2 ARG 14 HG2 ARG 14 46.017 16.095 0.792 103 HG3 ARG 14 HG1 ARG 14 45.922 17.791 0.270 104 HD2 ARG 14 HD2 ARG 14 43.295 17.428 0.672 105 HD3 ARG 14 HD1 ARG 14 43.874 16.131 1.747 106 HE ARG 14 HE ARG 14 44.121 18.996 2.227 107 HH11 ARG 14 HH11 ARG 14 46.633 19.130 2.898 108 HH12 ARG 14 HH12 ARG 14 46.937 18.146 4.291 109 HH21 ARG 14 HH21 ARG 14 44.011 16.313 3.962 110 HH22 ARG 14 HH22 ARG 14 45.452 16.550 4.893 111 H PHE 15 HN PHE 15 45.175 13.181 -2.552 112 HA PHE 15 HA PHE 15 44.028 14.010 -5.013 113 HB2 PHE 15 HB2 PHE 15 45.817 12.267 -4.732 114 HB3 PHE 15 HB1 PHE 15 44.570 11.144 -4.138 115 HD1 PHE 15 HD1 PHE 15 45.559 13.274 -7.062 116 HD2 PHE 15 HD2 PHE 15 43.129 9.990 -5.665 117 HE1 PHE 15 HE1 PHE 15 44.943 12.728 -9.413 118 HE2 PHE 15 HE2 PHE 15 42.513 9.446 -8.017 119 HZ PHE 15 HZ PHE 15 43.341 10.878 -9.880 120 H ILE 16 HN ILE 16 42.672 12.425 -2.232 121 HA ILE 16 HA ILE 16 40.076 12.020 -3.717 122 HB ILE 16 HB ILE 16 40.973 10.595 -1.167 123 HG12 ILE 16 HG12 ILE 16 40.888 8.598 -3.025 124 HG13 ILE 16 HG11 ILE 16 41.337 9.933 -4.107 125 HG21 ILE 16 HG21 ILE 16 38.635 10.205 -3.091 126 HG22 ILE 16 HG22 ILE 16 38.538 10.833 -1.429 127 HG23 ILE 16 HG23 ILE 16 39.010 9.144 -1.713 128 HD11 ILE 16 HD1 ILE 16 42.870 8.776 -1.760 129 HD12 ILE 16 HD2 ILE 16 43.175 10.450 -2.273 130 HD13 ILE 16 HD3 ILE 16 43.434 9.110 -3.413 131 H HIS 17 HN HIS 17 40.865 12.114 -0.202 132 HA HIS 17 HA HIS 17 39.824 14.805 0.129 133 HB2 HIS 17 HB2 HIS 17 37.697 13.597 -0.454 134 HB3 HIS 17 HB1 HIS 17 37.925 12.593 0.995 135 HD1 HIS 17 HD1 HIS 17 39.268 15.812 1.824 136 HD2 HIS 17 HD2 HIS 17 35.360 14.305 1.466 137 HE1 HIS 17 HE1 HIS 17 37.732 17.356 3.157 138 H GLY 18 HN GLY 18 42.024 13.114 0.962 139 HA2 GLY 18 HA1 GLY 18 42.877 13.900 3.321 140 HA3 GLY 18 HA2 GLY 18 41.593 12.810 3.902 141 H MET 19 HN MET 19 41.583 10.794 2.276 142 HA MET 19 HA MET 19 43.842 9.683 1.270 143 HB2 MET 19 HB2 MET 19 44.179 9.789 4.140 144 HB3 MET 19 HB1 MET 19 44.000 8.086 3.673 145 HG2 MET 19 HG2 MET 19 45.979 10.052 2.436 146 HG3 MET 19 HG1 MET 19 46.377 8.818 3.655 147 HE1 MET 19 HE1 MET 19 47.291 6.570 3.011 148 HE2 MET 19 HE2 MET 19 46.313 5.510 1.969 149 HE3 MET 19 HE3 MET 19 45.562 6.330 3.358 150 H ILE 20 HN ILE 20 42.210 9.099 -0.092 151 HA ILE 20 HA ILE 20 40.616 7.605 -0.892 152 HB ILE 20 HB ILE 20 41.134 5.762 1.486 153 HG12 ILE 20 HG12 ILE 20 42.848 6.124 -1.020 154 HG13 ILE 20 HG11 ILE 20 43.362 6.375 0.662 155 HG21 ILE 20 HG21 ILE 20 40.664 5.057 -1.443 156 HG22 ILE 20 HG22 ILE 20 39.314 5.357 -0.326 157 HG23 ILE 20 HG23 ILE 20 40.448 4.028 -0.007 158 HD11 ILE 20 HD1 ILE 20 42.702 3.894 1.044 159 HD12 ILE 20 HD2 ILE 20 44.186 4.216 0.114 160 HD13 ILE 20 HD3 ILE 20 42.687 3.765 -0.732 161 H GLN 21 HN GLN 21 40.536 9.605 1.300 162 HA GLN 21 HA GLN 21 38.623 10.701 2.206 163 HB2 GLN 21 HB2 GLN 21 37.116 8.830 1.090 164 HB3 GLN 21 HB1 GLN 21 37.202 8.050 2.687 165 HG2 GLN 21 HG2 GLN 21 36.431 10.253 3.698 166 HG3 GLN 21 HG1 GLN 21 36.132 10.829 2.040 167 HE21 GLN 21 HE21 GLN 21 34.256 10.045 4.426 168 HE22 GLN 21 HE22 GLN 21 33.100 8.949 3.664 169 H ASN 22 HN ASN 22 41.051 9.587 3.070 170 HA ASN 22 HA ASN 22 42.199 8.897 4.939 171 HB2 ASN 22 HB2 ASN 22 41.549 10.124 7.023 172 HB3 ASN 22 HB1 ASN 22 41.746 11.144 5.570 173 HD21 ASN 22 HD21 ASN 22 39.734 11.884 4.455 174 HD22 ASN 22 HD22 ASN 22 38.225 11.971 5.370 175 H HIS 23 HN HIS 23 40.742 6.921 4.062 176 HA HIS 23 HA HIS 23 38.800 5.766 5.760 177 HB2 HIS 23 HB2 HIS 23 39.554 4.867 3.544 178 HB3 HIS 23 HB1 HIS 23 41.040 4.282 4.329 179 HD1 HIS 23 HD1 HIS 23 38.284 4.065 6.693 180 HD2 HIS 23 HD2 HIS 23 39.771 1.653 3.586 181 HE1 HIS 23 HE1 HIS 23 37.297 1.729 7.003 182 H HIS 24 HN HIS 24 42.310 5.969 6.134 183 HA HIS 24 HA HIS 24 42.087 5.367 8.974 184 HB2 HIS 24 HB2 HIS 24 43.544 3.342 8.927 185 HB3 HIS 24 HB1 HIS 24 41.957 3.065 8.167 186 HD1 HIS 24 HD1 HIS 24 41.863 2.747 5.596 187 HD2 HIS 24 HD2 HIS 24 45.741 3.286 7.125 188 HE1 HIS 24 HE1 HIS 24 43.505 2.188 3.720 Start of MODEL 94 1 H1 PHE 1 HT1 PHE 1 54.194 5.574 10.285 2 H2 PHE 1 HT2 PHE 1 52.977 6.171 9.259 3 H3 PHE 1 HT3 PHE 1 54.583 6.694 9.074 4 HA PHE 1 HA PHE 1 55.301 4.645 8.291 5 HB2 PHE 1 HB2 PHE 1 53.923 3.334 9.940 6 HB3 PHE 1 HB1 PHE 1 52.509 3.591 8.891 7 HD1 PHE 1 HD1 PHE 1 52.177 2.254 6.930 8 HD2 PHE 1 HD2 PHE 1 55.975 2.166 8.979 9 HE1 PHE 1 HE1 PHE 1 52.900 0.338 5.510 10 HE2 PHE 1 HE2 PHE 1 56.697 0.251 7.558 11 HZ PHE 1 HZ PHE 1 55.136 -0.702 5.866 12 H LEU 2 HN LEU 2 55.510 5.545 6.316 13 HA LEU 2 HA LEU 2 53.491 6.745 4.783 14 HB2 LEU 2 HB2 LEU 2 54.977 6.622 2.933 15 HB3 LEU 2 HB1 LEU 2 56.017 6.717 4.368 16 HG LEU 2 HG LEU 2 55.346 4.228 2.731 17 HD11 LEU 2 HD11 LEU 2 57.803 4.186 2.406 18 HD12 LEU 2 HD12 LEU 2 57.954 5.674 3.373 19 HD13 LEU 2 HD13 LEU 2 57.098 5.709 1.813 20 HD21 LEU 2 HD21 LEU 2 55.364 3.484 5.021 21 HD22 LEU 2 HD22 LEU 2 56.732 4.548 5.429 22 HD23 LEU 2 HD23 LEU 2 56.986 3.128 4.386 23 H GLY 3 HN GLY 3 53.014 5.780 2.420 24 HA2 GLY 3 HA1 GLY 3 52.341 2.948 2.401 25 HA3 GLY 3 HA2 GLY 3 50.922 3.978 2.681 26 H ALA 4 HN ALA 4 53.699 4.987 0.764 27 HA ALA 4 HA ALA 4 52.588 4.190 -1.790 28 HB1 ALA 4 HB1 ALA 4 50.992 6.020 -1.060 29 HB2 ALA 4 HB2 ALA 4 51.813 6.299 -2.615 30 HB3 ALA 4 HB3 ALA 4 52.366 7.146 -1.150 31 H LEU 5 HN LEU 5 53.815 5.106 -3.618 32 HA LEU 5 HA LEU 5 56.648 5.299 -2.882 33 HB2 LEU 5 HB2 LEU 5 55.098 5.281 -5.493 34 HB3 LEU 5 HB1 LEU 5 56.847 5.604 -5.459 35 HG LEU 5 HG LEU 5 57.286 3.452 -4.409 36 HD11 LEU 5 HD11 LEU 5 55.269 1.847 -4.136 37 HD12 LEU 5 HD12 LEU 5 54.251 3.304 -4.228 38 HD13 LEU 5 HD13 LEU 5 55.449 3.133 -2.921 39 HD21 LEU 5 HD21 LEU 5 56.451 1.938 -6.199 40 HD22 LEU 5 HD22 LEU 5 57.041 3.480 -6.867 41 HD23 LEU 5 HD23 LEU 5 55.292 3.190 -6.706 42 H ILE 6 HN ILE 6 56.313 7.307 -1.571 43 HA ILE 6 HA ILE 6 56.463 9.639 -1.306 44 HB ILE 6 HB ILE 6 57.682 9.805 -4.110 45 HG12 ILE 6 HG12 ILE 6 58.965 8.529 -1.646 46 HG13 ILE 6 HG11 ILE 6 58.602 7.720 -3.188 47 HG21 ILE 6 HG21 ILE 6 58.719 10.954 -1.487 48 HG22 ILE 6 HG22 ILE 6 57.420 11.761 -2.393 49 HG23 ILE 6 HG23 ILE 6 59.011 11.525 -3.148 50 HD11 ILE 6 HD1 ILE 6 60.655 9.894 -2.646 51 HD12 ILE 6 HD2 ILE 6 60.109 9.499 -4.295 52 HD13 ILE 6 HD3 ILE 6 60.922 8.264 -3.304 53 H LYS 7 HN LYS 7 56.568 11.350 -3.957 54 HA LYS 7 HA LYS 7 54.915 12.799 -4.750 55 HB2 LYS 7 HB2 LYS 7 53.054 10.367 -4.698 56 HB3 LYS 7 HB1 LYS 7 52.832 11.855 -5.651 57 HG2 LYS 7 HG2 LYS 7 54.828 11.349 -6.980 58 HG3 LYS 7 HG1 LYS 7 55.164 9.916 -5.978 59 HD2 LYS 7 HD2 LYS 7 53.161 8.807 -6.738 60 HD3 LYS 7 HD1 LYS 7 52.570 10.289 -7.530 61 HE2 LYS 7 HE2 LYS 7 54.341 10.208 -9.175 62 HE3 LYS 7 HE1 LYS 7 55.165 8.893 -8.303 63 HZ1 LYS 7 HZ1 LYS 7 53.478 7.389 -8.852 64 HZ2 LYS 7 HZ2 LYS 7 53.739 8.258 -10.288 65 HZ3 LYS 7 HZ3 LYS 7 52.392 8.608 -9.313 66 H GLY 8 HN GLY 8 55.620 11.965 -2.274 67 HA2 GLY 8 HA1 GLY 8 55.158 11.733 -0.104 68 HA3 GLY 8 HA2 GLY 8 54.551 13.421 -0.319 69 H ALA 9 HN ALA 9 53.718 10.007 -0.241 70 HA ALA 9 HA ALA 9 51.799 8.899 0.343 71 HB1 ALA 9 HB1 ALA 9 50.362 9.854 1.977 72 HB2 ALA 9 HB2 ALA 9 50.741 11.514 1.459 73 HB3 ALA 9 HB3 ALA 9 51.970 10.540 2.303 74 H ILE 10 HN ILE 10 51.623 8.967 -2.073 75 HA ILE 10 HA ILE 10 50.281 9.090 -3.929 76 HB ILE 10 HB ILE 10 48.275 9.548 -1.718 77 HG12 ILE 10 HG12 ILE 10 49.069 7.299 -2.759 78 HG13 ILE 10 HG11 ILE 10 47.331 7.528 -2.480 79 HG21 ILE 10 HG21 ILE 10 47.730 10.363 -4.587 80 HG22 ILE 10 HG22 ILE 10 47.321 11.215 -3.078 81 HG23 ILE 10 HG23 ILE 10 46.434 9.747 -3.538 82 HD11 ILE 10 HD1 ILE 10 48.540 8.244 -5.176 83 HD12 ILE 10 HD2 ILE 10 46.866 7.800 -4.782 84 HD13 ILE 10 HD3 ILE 10 48.137 6.557 -4.790 85 H HIS 11 HN HIS 11 49.034 11.893 -2.050 86 HA HIS 11 HA HIS 11 50.388 13.739 -3.962 87 HB2 HIS 11 HB2 HIS 11 48.155 13.282 -4.957 88 HB3 HIS 11 HB1 HIS 11 47.385 13.777 -3.430 89 HD1 HIS 11 HD1 HIS 11 46.399 16.041 -3.804 90 HD2 HIS 11 HD2 HIS 11 50.187 15.661 -5.588 91 HE1 HIS 11 HE1 HIS 11 47.031 18.330 -4.744 92 H GLY 12 HN GLY 12 49.588 12.743 -0.938 93 HA2 GLY 12 HA1 GLY 12 50.327 13.817 1.051 94 HA3 GLY 12 HA2 GLY 12 50.316 15.388 0.227 95 H GLY 13 HN GLY 13 48.211 12.800 1.498 96 HA2 GLY 13 HA1 GLY 13 46.030 12.901 2.288 97 HA3 GLY 13 HA2 GLY 13 46.581 14.394 3.072 98 H ARG 14 HN ARG 14 45.192 13.054 0.073 99 HA ARG 14 HA ARG 14 43.460 15.441 -0.148 100 HB2 ARG 14 HB2 ARG 14 45.814 15.785 -1.352 101 HB3 ARG 14 HB1 ARG 14 45.090 14.770 -2.615 102 HG2 ARG 14 HG2 ARG 14 43.998 17.404 -1.522 103 HG3 ARG 14 HG1 ARG 14 44.670 17.118 -3.143 104 HD2 ARG 14 HD2 ARG 14 42.073 16.054 -1.974 105 HD3 ARG 14 HD1 ARG 14 42.295 17.073 -3.413 106 HE ARG 14 HE ARG 14 43.653 14.507 -3.666 107 HH11 ARG 14 HH11 ARG 14 40.785 13.871 -2.932 108 HH12 ARG 14 HH12 ARG 14 40.040 13.792 -4.494 109 HH21 ARG 14 HH21 ARG 14 42.645 15.409 -6.112 110 HH22 ARG 14 HH22 ARG 14 41.093 14.662 -6.294 111 H PHE 15 HN PHE 15 44.710 12.642 -2.034 112 HA PHE 15 HA PHE 15 42.307 12.114 -3.439 113 HB2 PHE 15 HB2 PHE 15 44.518 11.085 -3.935 114 HB3 PHE 15 HB1 PHE 15 44.357 10.090 -2.467 115 HD1 PHE 15 HD1 PHE 15 43.104 10.683 -5.898 116 HD2 PHE 15 HD2 PHE 15 42.681 8.296 -2.328 117 HE1 PHE 15 HE1 PHE 15 41.740 9.028 -7.166 118 HE2 PHE 15 HE2 PHE 15 41.316 6.640 -3.595 119 HZ PHE 15 HZ PHE 15 40.832 7.016 -6.011 120 H ILE 16 HN ILE 16 43.117 11.570 -0.091 121 HA ILE 16 HA ILE 16 41.275 9.412 0.393 122 HB ILE 16 HB ILE 16 42.028 11.539 2.439 123 HG12 ILE 16 HG12 ILE 16 43.638 9.141 1.451 124 HG13 ILE 16 HG11 ILE 16 44.087 10.854 1.291 125 HG21 ILE 16 HG21 ILE 16 41.697 9.760 4.027 126 HG22 ILE 16 HG22 ILE 16 41.635 8.533 2.740 127 HG23 ILE 16 HG23 ILE 16 40.304 9.700 2.924 128 HD11 ILE 16 HD1 ILE 16 43.965 9.154 3.803 129 HD12 ILE 16 HD2 ILE 16 43.901 10.931 3.895 130 HD13 ILE 16 HD3 ILE 16 45.318 10.126 3.181 131 H HIS 17 HN HIS 17 40.865 12.741 1.728 132 HA HIS 17 HA HIS 17 38.183 12.942 0.508 133 HB2 HIS 17 HB2 HIS 17 37.831 11.493 2.541 134 HB3 HIS 17 HB1 HIS 17 38.460 12.826 3.540 135 HD1 HIS 17 HD1 HIS 17 35.805 12.403 0.773 136 HD2 HIS 17 HD2 HIS 17 36.452 14.536 4.339 137 HE1 HIS 17 HE1 HIS 17 33.684 13.744 1.254 138 H GLY 18 HN GLY 18 40.689 14.376 0.381 139 HA2 GLY 18 HA1 GLY 18 41.193 16.654 0.230 140 HA3 GLY 18 HA2 GLY 18 39.677 17.036 1.033 141 H MET 19 HN MET 19 42.804 15.584 1.547 142 HA MET 19 HA MET 19 43.981 15.460 3.487 143 HB2 MET 19 HB2 MET 19 44.296 17.811 2.425 144 HB3 MET 19 HB1 MET 19 43.498 18.346 3.919 145 HG2 MET 19 HG2 MET 19 45.255 17.282 5.275 146 HG3 MET 19 HG1 MET 19 46.017 16.618 3.812 147 HE1 MET 19 HE1 MET 19 48.431 17.755 4.126 148 HE2 MET 19 HE2 MET 19 47.667 17.924 5.724 149 HE3 MET 19 HE3 MET 19 48.534 19.302 5.002 150 H ILE 20 HN ILE 20 40.984 15.257 3.865 151 HA ILE 20 HA ILE 20 39.567 15.145 5.703 152 HB ILE 20 HB ILE 20 42.238 14.828 7.172 153 HG12 ILE 20 HG12 ILE 20 41.507 12.500 7.395 154 HG13 ILE 20 HG11 ILE 20 39.946 12.887 6.637 155 HG21 ILE 20 HG21 ILE 20 40.662 14.015 9.084 156 HG22 ILE 20 HG22 ILE 20 39.399 14.949 8.249 157 HG23 ILE 20 HG23 ILE 20 40.857 15.767 8.860 158 HD11 ILE 20 HD1 ILE 20 42.545 13.455 5.169 159 HD12 ILE 20 HD2 ILE 20 40.914 13.199 4.502 160 HD13 ILE 20 HD3 ILE 20 41.834 11.826 5.156 161 H GLN 21 HN GLN 21 41.780 17.485 4.925 162 HA GLN 21 HA GLN 21 40.442 19.525 6.730 163 HB2 GLN 21 HB2 GLN 21 42.753 18.892 7.539 164 HB3 GLN 21 HB1 GLN 21 43.391 19.509 5.996 165 HG2 GLN 21 HG2 GLN 21 42.412 21.727 6.457 166 HG3 GLN 21 HG1 GLN 21 41.726 21.118 7.983 167 HE21 GLN 21 HE21 GLN 21 44.983 20.947 6.350 168 HE22 GLN 21 HE22 GLN 21 45.876 21.421 7.798 169 H ASN 22 HN ASN 22 41.729 18.603 3.535 170 HA ASN 22 HA ASN 22 41.485 21.398 2.553 171 HB2 ASN 22 HB2 ASN 22 43.208 19.769 1.646 172 HB3 ASN 22 HB1 ASN 22 41.864 18.811 0.980 173 HD21 ASN 22 HD21 ASN 22 44.117 20.673 -0.247 174 HD22 ASN 22 HD22 ASN 22 43.193 21.666 -1.379 175 H HIS 23 HN HIS 23 39.919 18.268 2.620 176 HA HIS 23 HA HIS 23 37.700 17.668 2.157 177 HB2 HIS 23 HB2 HIS 23 37.006 20.627 2.191 178 HB3 HIS 23 HB1 HIS 23 35.950 19.245 2.563 179 HD1 HIS 23 HD1 HIS 23 37.129 21.802 4.427 180 HD2 HIS 23 HD2 HIS 23 38.028 17.703 4.682 181 HE1 HIS 23 HE1 HIS 23 37.910 21.341 6.816 182 H HIS 24 HN HIS 24 35.718 18.338 0.617 183 HA HIS 24 HA HIS 24 36.811 18.141 -2.056 184 HB2 HIS 24 HB2 HIS 24 34.422 18.246 -2.756 185 HB3 HIS 24 HB1 HIS 24 34.701 17.057 -1.462 186 HD1 HIS 24 HD1 HIS 24 35.038 19.949 0.416 187 HD2 HIS 24 HD2 HIS 24 31.696 18.283 -1.519 188 HE1 HIS 24 HE1 HIS 24 32.953 20.867 1.573 Start of MODEL 95 1 H1 PHE 1 HT1 PHE 1 57.707 7.066 -13.705 2 H2 PHE 1 HT2 PHE 1 57.383 5.403 -13.831 3 H3 PHE 1 HT3 PHE 1 58.767 5.942 -13.008 4 HA PHE 1 HA PHE 1 56.926 7.241 -11.656 5 HB2 PHE 1 HB2 PHE 1 55.670 4.586 -12.453 6 HB3 PHE 1 HB1 PHE 1 55.014 5.765 -11.292 7 HD1 PHE 1 HD1 PHE 1 55.618 5.016 -14.860 8 HD2 PHE 1 HD2 PHE 1 54.118 7.933 -12.054 9 HE1 PHE 1 HE1 PHE 1 54.523 6.250 -16.728 10 HE2 PHE 1 HE2 PHE 1 53.023 9.167 -13.922 11 HZ PHE 1 HZ PHE 1 53.204 8.310 -16.256 12 H LEU 2 HN LEU 2 57.577 6.989 -9.619 13 HA LEU 2 HA LEU 2 59.486 4.911 -8.963 14 HB2 LEU 2 HB2 LEU 2 58.032 7.045 -7.361 15 HB3 LEU 2 HB1 LEU 2 59.110 5.867 -6.577 16 HG LEU 2 HG LEU 2 60.972 6.575 -8.039 17 HD11 LEU 2 HD11 LEU 2 58.817 8.356 -9.239 18 HD12 LEU 2 HD12 LEU 2 59.946 7.259 -10.071 19 HD13 LEU 2 HD13 LEU 2 60.541 8.779 -9.365 20 HD21 LEU 2 HD21 LEU 2 60.578 7.733 -5.874 21 HD22 LEU 2 HD22 LEU 2 59.543 8.920 -6.704 22 HD23 LEU 2 HD23 LEU 2 61.281 8.835 -7.082 23 H GLY 3 HN GLY 3 59.144 3.694 -6.772 24 HA2 GLY 3 HA1 GLY 3 56.946 1.851 -7.249 25 HA3 GLY 3 HA2 GLY 3 58.117 1.791 -5.918 26 H ALA 4 HN ALA 4 56.031 4.541 -6.741 27 HA ALA 4 HA ALA 4 54.432 5.632 -5.466 28 HB1 ALA 4 HB1 ALA 4 52.686 4.293 -4.520 29 HB2 ALA 4 HB2 ALA 4 53.765 2.885 -4.369 30 HB3 ALA 4 HB3 ALA 4 53.256 3.450 -5.979 31 H LEU 5 HN LEU 5 53.365 4.946 -2.896 32 HA LEU 5 HA LEU 5 53.841 5.409 -0.674 33 HB2 LEU 5 HB2 LEU 5 56.541 4.096 -1.128 34 HB3 LEU 5 HB1 LEU 5 55.557 4.126 0.355 35 HG LEU 5 HG LEU 5 54.877 2.685 -2.247 36 HD11 LEU 5 HD11 LEU 5 56.645 1.670 -0.742 37 HD12 LEU 5 HD12 LEU 5 55.197 0.656 -0.953 38 HD13 LEU 5 HD13 LEU 5 55.419 1.590 0.546 39 HD21 LEU 5 HD21 LEU 5 52.977 1.757 -0.741 40 HD22 LEU 5 HD22 LEU 5 52.787 3.416 -1.349 41 HD23 LEU 5 HD23 LEU 5 53.314 3.138 0.329 42 H ILE 6 HN ILE 6 54.821 7.207 -2.934 43 HA ILE 6 HA ILE 6 56.339 9.037 -1.132 44 HB ILE 6 HB ILE 6 57.943 7.461 -2.618 45 HG12 ILE 6 HG12 ILE 6 58.315 10.489 -2.439 46 HG13 ILE 6 HG11 ILE 6 58.704 9.304 -1.177 47 HG21 ILE 6 HG21 ILE 6 58.287 7.971 -4.853 48 HG22 ILE 6 HG22 ILE 6 57.759 9.656 -4.683 49 HG23 ILE 6 HG23 ILE 6 56.555 8.348 -4.751 50 HD11 ILE 6 HD1 ILE 6 60.764 9.770 -2.318 51 HD12 ILE 6 HD2 ILE 6 59.997 9.599 -3.915 52 HD13 ILE 6 HD3 ILE 6 60.234 8.169 -2.881 53 H LYS 7 HN LYS 7 57.036 10.780 -3.493 54 HA LYS 7 HA LYS 7 55.942 12.691 -4.251 55 HB2 LYS 7 HB2 LYS 7 53.661 10.710 -4.777 56 HB3 LYS 7 HB1 LYS 7 53.658 12.407 -5.309 57 HG2 LYS 7 HG2 LYS 7 55.539 12.052 -6.764 58 HG3 LYS 7 HG1 LYS 7 55.862 10.448 -6.064 59 HD2 LYS 7 HD2 LYS 7 54.730 10.195 -8.230 60 HD3 LYS 7 HD1 LYS 7 53.656 9.652 -6.921 61 HE2 LYS 7 HE2 LYS 7 52.301 11.595 -7.063 62 HE3 LYS 7 HE1 LYS 7 53.540 12.508 -7.960 63 HZ1 LYS 7 HZ1 LYS 7 53.153 10.441 -9.595 64 HZ2 LYS 7 HZ2 LYS 7 52.285 11.897 -9.706 65 HZ3 LYS 7 HZ3 LYS 7 51.603 10.557 -8.916 66 H GLY 8 HN GLY 8 56.089 11.464 -1.843 67 HA2 GLY 8 HA1 GLY 8 55.360 11.205 0.236 68 HA3 GLY 8 HA2 GLY 8 55.147 12.997 0.145 69 H ALA 9 HN ALA 9 53.563 9.916 -0.634 70 HA ALA 9 HA ALA 9 51.415 9.180 -0.275 71 HB1 ALA 9 HB1 ALA 9 51.656 10.647 1.879 72 HB2 ALA 9 HB2 ALA 9 50.028 10.172 1.341 73 HB3 ALA 9 HB3 ALA 9 50.630 11.812 1.011 74 H ILE 10 HN ILE 10 51.583 9.442 -2.623 75 HA ILE 10 HA ILE 10 51.001 10.409 -4.661 76 HB ILE 10 HB ILE 10 48.458 10.588 -4.926 77 HG12 ILE 10 HG12 ILE 10 48.184 11.065 -2.353 78 HG13 ILE 10 HG11 ILE 10 46.986 10.068 -3.174 79 HG21 ILE 10 HG21 ILE 10 49.398 8.565 -5.628 80 HG22 ILE 10 HG22 ILE 10 48.201 8.026 -4.431 81 HG23 ILE 10 HG23 ILE 10 49.926 8.107 -3.996 82 HD11 ILE 10 HD1 ILE 10 47.996 9.274 -0.851 83 HD12 ILE 10 HD2 ILE 10 49.339 8.694 -1.851 84 HD13 ILE 10 HD3 ILE 10 47.699 8.089 -2.140 85 H HIS 11 HN HIS 11 48.198 12.156 -4.091 86 HA HIS 11 HA HIS 11 49.653 14.665 -4.606 87 HB2 HIS 11 HB2 HIS 11 47.462 14.124 -5.687 88 HB3 HIS 11 HB1 HIS 11 46.686 14.225 -4.087 89 HD1 HIS 11 HD1 HIS 11 45.353 16.364 -4.309 90 HD2 HIS 11 HD2 HIS 11 49.337 16.814 -5.572 91 HE1 HIS 11 HE1 HIS 11 45.756 18.858 -4.693 92 H GLY 12 HN GLY 12 50.302 13.417 -2.097 93 HA2 GLY 12 HA1 GLY 12 50.704 14.190 0.057 94 HA3 GLY 12 HA2 GLY 12 49.916 15.721 -0.376 95 H GLY 13 HN GLY 13 48.427 12.537 -0.712 96 HA2 GLY 13 HA1 GLY 13 46.683 11.548 0.459 97 HA3 GLY 13 HA2 GLY 13 47.009 12.651 1.813 98 H ARG 14 HN ARG 14 46.116 13.283 -1.600 99 HA ARG 14 HA ARG 14 43.485 14.363 -0.679 100 HB2 ARG 14 HB2 ARG 14 45.612 15.926 -2.191 101 HB3 ARG 14 HB1 ARG 14 43.901 16.401 -2.159 102 HG2 ARG 14 HG2 ARG 14 45.643 16.021 0.321 103 HG3 ARG 14 HG1 ARG 14 45.282 17.586 -0.431 104 HD2 ARG 14 HD2 ARG 14 42.736 16.731 -0.139 105 HD3 ARG 14 HD1 ARG 14 43.476 15.785 1.175 106 HE ARG 14 HE ARG 14 43.759 17.799 2.369 107 HH11 ARG 14 HH11 ARG 14 41.452 18.927 0.813 108 HH12 ARG 14 HH12 ARG 14 42.118 20.403 0.200 109 HH21 ARG 14 HH21 ARG 14 45.406 19.480 0.806 110 HH22 ARG 14 HH22 ARG 14 44.357 20.717 0.196 111 H PHE 15 HN PHE 15 45.425 12.665 -2.917 112 HA PHE 15 HA PHE 15 43.682 13.089 -5.243 113 HB2 PHE 15 HB2 PHE 15 46.155 12.220 -5.211 114 HB3 PHE 15 HB1 PHE 15 45.442 10.643 -4.825 115 HD1 PHE 15 HD1 PHE 15 45.692 13.328 -7.375 116 HD2 PHE 15 HD2 PHE 15 44.104 9.420 -6.460 117 HE1 PHE 15 HE1 PHE 15 45.154 12.982 -9.783 118 HE2 PHE 15 HE2 PHE 15 43.565 9.076 -8.868 119 HZ PHE 15 HZ PHE 15 44.083 10.859 -10.528 120 H ILE 16 HN ILE 16 44.044 10.788 -2.617 121 HA ILE 16 HA ILE 16 41.247 10.025 -2.754 122 HB ILE 16 HB ILE 16 42.025 8.544 -4.534 123 HG12 ILE 16 HG12 ILE 16 41.708 6.952 -1.947 124 HG13 ILE 16 HG11 ILE 16 40.370 7.703 -2.845 125 HG21 ILE 16 HG21 ILE 16 43.917 7.168 -4.448 126 HG22 ILE 16 HG22 ILE 16 43.948 7.115 -2.674 127 HG23 ILE 16 HG23 ILE 16 44.489 8.578 -3.530 128 HD11 ILE 16 HD1 ILE 16 42.264 5.535 -3.844 129 HD12 ILE 16 HD2 ILE 16 41.091 6.386 -4.878 130 HD13 ILE 16 HD3 ILE 16 40.520 5.377 -3.527 131 H HIS 17 HN HIS 17 41.569 11.051 -0.720 132 HA HIS 17 HA HIS 17 42.168 9.108 1.389 133 HB2 HIS 17 HB2 HIS 17 44.459 9.998 0.753 134 HB3 HIS 17 HB1 HIS 17 43.897 11.609 1.258 135 HD1 HIS 17 HD1 HIS 17 42.517 8.757 3.207 136 HD2 HIS 17 HD2 HIS 17 45.838 11.326 3.453 137 HE1 HIS 17 HE1 HIS 17 43.461 8.557 5.573 138 H GLY 18 HN GLY 18 41.936 12.642 0.668 139 HA2 GLY 18 HA1 GLY 18 40.584 13.290 3.125 140 HA3 GLY 18 HA2 GLY 18 40.512 14.231 1.609 141 H MET 19 HN MET 19 39.394 12.999 -0.174 142 HA MET 19 HA MET 19 37.537 11.108 0.036 143 HB2 MET 19 HB2 MET 19 36.501 13.342 1.602 144 HB3 MET 19 HB1 MET 19 35.414 12.982 0.247 145 HG2 MET 19 HG2 MET 19 35.201 10.668 0.958 146 HG3 MET 19 HG1 MET 19 36.450 10.887 2.206 147 HE1 MET 19 HE1 MET 19 34.842 9.895 4.000 148 HE2 MET 19 HE2 MET 19 33.639 9.656 2.710 149 HE3 MET 19 HE3 MET 19 33.161 10.428 4.241 150 H ILE 20 HN ILE 20 38.498 10.953 -1.932 151 HA ILE 20 HA ILE 20 38.521 11.259 -4.232 152 HB ILE 20 HB ILE 20 35.941 12.878 -4.050 153 HG12 ILE 20 HG12 ILE 20 36.279 9.847 -3.830 154 HG13 ILE 20 HG11 ILE 20 35.556 10.928 -2.619 155 HG21 ILE 20 HG21 ILE 20 37.264 12.453 -6.246 156 HG22 ILE 20 HG22 ILE 20 35.538 12.038 -6.252 157 HG23 ILE 20 HG23 ILE 20 36.762 10.757 -6.081 158 HD11 ILE 20 HD1 ILE 20 34.457 10.140 -5.336 159 HD12 ILE 20 HD2 ILE 20 33.863 11.580 -4.473 160 HD13 ILE 20 HD3 ILE 20 33.694 9.968 -3.738 161 H GLN 21 HN GLN 21 39.204 13.121 -1.991 162 HA GLN 21 HA GLN 21 40.730 14.983 -2.103 163 HB2 GLN 21 HB2 GLN 21 40.512 14.981 -4.727 164 HB3 GLN 21 HB1 GLN 21 39.198 16.153 -4.469 165 HG2 GLN 21 HG2 GLN 21 40.870 17.478 -3.021 166 HG3 GLN 21 HG1 GLN 21 42.128 16.425 -3.708 167 HE21 GLN 21 HE21 GLN 21 42.826 18.737 -4.540 168 HE22 GLN 21 HE22 GLN 21 42.162 19.199 -6.111 169 H ASN 22 HN ASN 22 38.281 14.237 -0.915 170 HA ASN 22 HA ASN 22 36.437 15.088 0.172 171 HB2 ASN 22 HB2 ASN 22 38.195 15.810 1.616 172 HB3 ASN 22 HB1 ASN 22 38.474 17.277 0.630 173 HD21 ASN 22 HD21 ASN 22 35.284 15.838 1.529 174 HD22 ASN 22 HD22 ASN 22 34.747 17.238 2.461 175 H HIS 23 HN HIS 23 36.104 15.239 -2.399 176 HA HIS 23 HA HIS 23 35.389 17.972 -3.243 177 HB2 HIS 23 HB2 HIS 23 36.141 16.204 -4.834 178 HB3 HIS 23 HB1 HIS 23 34.659 15.286 -4.475 179 HD1 HIS 23 HD1 HIS 23 32.960 15.621 -6.258 180 HD2 HIS 23 HD2 HIS 23 35.210 19.108 -5.563 181 HE1 HIS 23 HE1 HIS 23 32.041 17.441 -7.798 182 H HIS 24 HN HIS 24 34.022 15.852 -1.081 183 HA HIS 24 HA HIS 24 31.517 17.327 -1.048 184 HB2 HIS 24 HB2 HIS 24 31.060 15.788 -2.945 185 HB3 HIS 24 HB1 HIS 24 31.400 14.401 -1.882 186 HD1 HIS 24 HD1 HIS 24 29.436 13.456 -0.670 187 HD2 HIS 24 HD2 HIS 24 28.821 17.462 -1.797 188 HE1 HIS 24 HE1 HIS 24 27.052 14.079 0.007 Start of MODEL 96 1 H1 PHE 1 HT1 PHE 1 50.502 0.270 -6.253 2 H2 PHE 1 HT2 PHE 1 50.169 1.632 -7.213 3 H3 PHE 1 HT3 PHE 1 48.984 1.017 -6.162 4 HA PHE 1 HA PHE 1 49.714 2.763 -4.964 5 HB2 PHE 1 HB2 PHE 1 51.665 0.543 -4.229 6 HB3 PHE 1 HB1 PHE 1 51.144 1.885 -3.181 7 HD1 PHE 1 HD1 PHE 1 48.831 1.992 -2.314 8 HD2 PHE 1 HD2 PHE 1 50.177 -1.328 -4.720 9 HE1 PHE 1 HE1 PHE 1 46.839 0.672 -1.607 10 HE2 PHE 1 HE2 PHE 1 48.186 -2.649 -4.013 11 HZ PHE 1 HZ PHE 1 46.559 -1.676 -2.394 12 H LEU 2 HN LEU 2 51.123 2.644 -7.628 13 HA LEU 2 HA LEU 2 52.963 3.627 -8.647 14 HB2 LEU 2 HB2 LEU 2 52.618 5.304 -6.143 15 HB3 LEU 2 HB1 LEU 2 53.872 5.687 -7.338 16 HG LEU 2 HG LEU 2 51.640 6.925 -7.587 17 HD11 LEU 2 HD11 LEU 2 53.406 6.503 -9.454 18 HD12 LEU 2 HD12 LEU 2 51.773 6.996 -9.947 19 HD13 LEU 2 HD13 LEU 2 52.261 5.295 -10.080 20 HD21 LEU 2 HD21 LEU 2 50.669 4.262 -8.714 21 HD22 LEU 2 HD22 LEU 2 49.744 5.770 -8.524 22 HD23 LEU 2 HD23 LEU 2 50.256 4.854 -7.087 23 H GLY 3 HN GLY 3 53.287 1.495 -6.369 24 HA2 GLY 3 HA1 GLY 3 55.120 0.250 -5.684 25 HA3 GLY 3 HA2 GLY 3 56.163 1.304 -6.659 26 H ALA 4 HN ALA 4 56.823 3.370 -5.764 27 HA ALA 4 HA ALA 4 57.516 3.069 -2.928 28 HB1 ALA 4 HB1 ALA 4 58.019 5.322 -4.906 29 HB2 ALA 4 HB2 ALA 4 59.128 3.981 -4.528 30 HB3 ALA 4 HB3 ALA 4 58.736 5.190 -3.283 31 H LEU 5 HN LEU 5 56.669 4.074 -1.197 32 HA LEU 5 HA LEU 5 54.093 5.436 -1.546 33 HB2 LEU 5 HB2 LEU 5 55.684 5.203 1.031 34 HB3 LEU 5 HB1 LEU 5 53.922 5.334 0.822 35 HG LEU 5 HG LEU 5 55.667 2.972 -0.009 36 HD11 LEU 5 HD11 LEU 5 53.464 3.165 2.088 37 HD12 LEU 5 HD12 LEU 5 55.201 3.278 2.458 38 HD13 LEU 5 HD13 LEU 5 54.532 1.777 1.774 39 HD21 LEU 5 HD21 LEU 5 53.324 1.928 -0.392 40 HD22 LEU 5 HD22 LEU 5 53.890 3.093 -1.610 41 HD23 LEU 5 HD23 LEU 5 52.707 3.598 -0.380 42 H ILE 6 HN ILE 6 55.167 7.146 -2.935 43 HA ILE 6 HA ILE 6 55.793 9.495 -1.140 44 HB ILE 6 HB ILE 6 57.638 10.201 -2.672 45 HG12 ILE 6 HG12 ILE 6 57.339 7.415 -3.898 46 HG13 ILE 6 HG11 ILE 6 56.845 8.924 -4.695 47 HG21 ILE 6 HG21 ILE 6 59.319 8.756 -1.771 48 HG22 ILE 6 HG22 ILE 6 58.195 7.378 -1.685 49 HG23 ILE 6 HG23 ILE 6 57.998 8.759 -0.581 50 HD11 ILE 6 HD1 ILE 6 59.645 7.994 -3.980 51 HD12 ILE 6 HD2 ILE 6 59.295 9.711 -4.299 52 HD13 ILE 6 HD3 ILE 6 59.011 8.493 -5.564 53 H LYS 7 HN LYS 7 56.535 10.941 -3.781 54 HA LYS 7 HA LYS 7 55.250 12.496 -4.947 55 HB2 LYS 7 HB2 LYS 7 53.409 10.066 -5.238 56 HB3 LYS 7 HB1 LYS 7 53.060 11.639 -5.992 57 HG2 LYS 7 HG2 LYS 7 55.122 11.545 -7.281 58 HG3 LYS 7 HG1 LYS 7 55.630 10.063 -6.434 59 HD2 LYS 7 HD2 LYS 7 53.765 8.814 -7.383 60 HD3 LYS 7 HD1 LYS 7 53.096 10.294 -8.113 61 HE2 LYS 7 HE2 LYS 7 55.856 9.176 -8.763 62 HE3 LYS 7 HE1 LYS 7 54.398 8.854 -9.732 63 HZ1 LYS 7 HZ1 LYS 7 54.161 11.172 -10.175 64 HZ2 LYS 7 HZ2 LYS 7 55.765 10.746 -10.537 65 HZ3 LYS 7 HZ3 LYS 7 55.408 11.581 -9.101 66 H GLY 8 HN GLY 8 55.364 11.765 -2.344 67 HA2 GLY 8 HA1 GLY 8 54.488 11.757 -0.302 68 HA3 GLY 8 HA2 GLY 8 54.078 13.461 -0.733 69 H ALA 9 HN ALA 9 52.966 10.143 -0.487 70 HA ALA 9 HA ALA 9 50.865 9.220 -0.332 71 HB1 ALA 9 HB1 ALA 9 49.208 10.467 0.964 72 HB2 ALA 9 HB2 ALA 9 50.122 11.974 0.715 73 HB3 ALA 9 HB3 ALA 9 50.824 10.656 1.684 74 H ILE 10 HN ILE 10 51.502 10.053 -2.867 75 HA ILE 10 HA ILE 10 50.463 10.275 -4.901 76 HB ILE 10 HB ILE 10 48.270 9.535 -3.202 77 HG12 ILE 10 HG12 ILE 10 49.058 8.416 -5.308 78 HG13 ILE 10 HG11 ILE 10 47.295 8.608 -5.210 79 HG21 ILE 10 HG21 ILE 10 47.414 11.844 -3.303 80 HG22 ILE 10 HG22 ILE 10 46.337 10.699 -4.132 81 HG23 ILE 10 HG23 ILE 10 47.390 11.770 -5.080 82 HD11 ILE 10 HD1 ILE 10 47.240 10.252 -6.884 83 HD12 ILE 10 HD2 ILE 10 48.586 9.237 -7.453 84 HD13 ILE 10 HD3 ILE 10 48.921 10.760 -6.597 85 H HIS 11 HN HIS 11 49.430 12.554 -2.383 86 HA HIS 11 HA HIS 11 50.447 14.825 -3.824 87 HB2 HIS 11 HB2 HIS 11 48.426 14.433 -5.225 88 HB3 HIS 11 HB1 HIS 11 47.411 14.538 -3.767 89 HD1 HIS 11 HD1 HIS 11 50.204 16.689 -5.338 90 HD2 HIS 11 HD2 HIS 11 46.410 17.093 -3.571 91 HE1 HIS 11 HE1 HIS 11 49.653 19.181 -5.283 92 H GLY 12 HN GLY 12 49.523 13.174 -1.194 93 HA2 GLY 12 HA1 GLY 12 50.185 14.333 0.952 94 HA3 GLY 12 HA2 GLY 12 49.070 15.635 0.488 95 H GLY 13 HN GLY 13 48.160 12.439 -0.422 96 HA2 GLY 13 HA1 GLY 13 46.440 11.073 0.299 97 HA3 GLY 13 HA2 GLY 13 46.873 11.554 1.954 98 H ARG 14 HN ARG 14 45.239 12.832 -0.975 99 HA ARG 14 HA ARG 14 42.836 13.416 0.543 100 HB2 ARG 14 HB2 ARG 14 42.891 15.802 0.625 101 HB3 ARG 14 HB1 ARG 14 44.422 15.237 1.318 102 HG2 ARG 14 HG2 ARG 14 45.088 16.983 -0.138 103 HG3 ARG 14 HG1 ARG 14 45.420 15.503 -1.062 104 HD2 ARG 14 HD2 ARG 14 43.909 16.087 -2.697 105 HD3 ARG 14 HD1 ARG 14 42.665 16.552 -1.518 106 HE ARG 14 HE ARG 14 44.722 18.541 -1.508 107 HH11 ARG 14 HH11 ARG 14 41.906 17.392 -3.094 108 HH12 ARG 14 HH12 ARG 14 41.749 18.779 -4.121 109 HH21 ARG 14 HH21 ARG 14 44.671 20.271 -3.000 110 HH22 ARG 14 HH22 ARG 14 43.315 20.408 -4.069 111 H PHE 15 HN PHE 15 44.689 13.211 -2.319 112 HA PHE 15 HA PHE 15 42.724 14.469 -4.087 113 HB2 PHE 15 HB2 PHE 15 45.172 14.188 -4.641 114 HB3 PHE 15 HB1 PHE 15 44.885 12.439 -4.782 115 HD1 PHE 15 HD1 PHE 15 44.324 11.587 -6.918 116 HD2 PHE 15 HD2 PHE 15 43.426 15.707 -5.985 117 HE1 PHE 15 HE1 PHE 15 43.498 11.935 -9.241 118 HE2 PHE 15 HE2 PHE 15 42.599 16.050 -8.309 119 HZ PHE 15 HZ PHE 15 42.676 14.176 -9.948 120 H ILE 16 HN ILE 16 43.300 11.397 -2.616 121 HA ILE 16 HA ILE 16 40.666 10.415 -3.454 122 HB ILE 16 HB ILE 16 41.661 8.191 -4.242 123 HG12 ILE 16 HG12 ILE 16 44.158 9.911 -4.600 124 HG13 ILE 16 HG11 ILE 16 43.961 8.693 -3.321 125 HG21 ILE 16 HG21 ILE 16 40.710 10.014 -5.761 126 HG22 ILE 16 HG22 ILE 16 41.883 8.923 -6.528 127 HG23 ILE 16 HG23 ILE 16 42.384 10.554 -6.025 128 HD11 ILE 16 HD1 ILE 16 43.438 7.029 -5.257 129 HD12 ILE 16 HD2 ILE 16 45.127 7.543 -5.039 130 HD13 ILE 16 HD3 ILE 16 44.138 8.271 -6.324 131 H HIS 17 HN HIS 17 41.361 11.220 -1.035 132 HA HIS 17 HA HIS 17 41.601 8.649 0.490 133 HB2 HIS 17 HB2 HIS 17 43.854 9.812 0.424 134 HB3 HIS 17 HB1 HIS 17 43.096 11.187 1.259 135 HD1 HIS 17 HD1 HIS 17 41.416 8.238 2.445 136 HD2 HIS 17 HD2 HIS 17 45.065 10.129 3.342 137 HE1 HIS 17 HE1 HIS 17 42.203 7.344 4.705 138 H GLY 18 HN GLY 18 40.484 11.947 0.077 139 HA2 GLY 18 HA1 GLY 18 39.344 12.581 2.548 140 HA3 GLY 18 HA2 GLY 18 38.564 12.926 0.977 141 H MET 19 HN MET 19 38.202 10.503 0.011 142 HA MET 19 HA MET 19 36.933 8.595 1.601 143 HB2 MET 19 HB2 MET 19 35.323 10.655 1.894 144 HB3 MET 19 HB1 MET 19 34.835 10.247 0.238 145 HG2 MET 19 HG2 MET 19 33.306 9.054 1.609 146 HG3 MET 19 HG1 MET 19 34.507 7.825 1.149 147 HE1 MET 19 HE1 MET 19 33.261 7.171 4.859 148 HE2 MET 19 HE2 MET 19 33.672 6.303 3.360 149 HE3 MET 19 HE3 MET 19 32.476 7.621 3.326 150 H ILE 20 HN ILE 20 38.530 9.532 -0.803 151 HA ILE 20 HA ILE 20 38.839 8.721 -2.949 152 HB ILE 20 HB ILE 20 36.668 6.616 -2.499 153 HG12 ILE 20 HG12 ILE 20 38.050 6.334 -0.557 154 HG13 ILE 20 HG11 ILE 20 38.578 5.098 -1.713 155 HG21 ILE 20 HG21 ILE 20 39.101 6.868 -4.307 156 HG22 ILE 20 HG22 ILE 20 37.398 6.642 -4.750 157 HG23 ILE 20 HG23 ILE 20 38.305 5.307 -4.009 158 HD11 ILE 20 HD1 ILE 20 40.427 6.709 -2.430 159 HD12 ILE 20 HD2 ILE 20 40.564 6.097 -0.770 160 HD13 ILE 20 HD3 ILE 20 39.955 7.741 -1.061 161 H GLN 21 HN GLN 21 36.129 9.839 -1.372 162 HA GLN 21 HA GLN 21 34.863 10.690 -4.010 163 HB2 GLN 21 HB2 GLN 21 33.379 9.669 -1.557 164 HB3 GLN 21 HB1 GLN 21 32.635 10.331 -3.033 165 HG2 GLN 21 HG2 GLN 21 33.744 8.534 -4.368 166 HG3 GLN 21 HG1 GLN 21 34.398 7.847 -2.861 167 HE21 GLN 21 HE21 GLN 21 31.121 9.253 -3.539 168 HE22 GLN 21 HE22 GLN 21 30.251 7.780 -3.100 169 H ASN 22 HN ASN 22 36.168 11.563 -0.952 170 HA ASN 22 HA ASN 22 34.657 14.186 -1.036 171 HB2 ASN 22 HB2 ASN 22 34.408 12.726 1.050 172 HB3 ASN 22 HB1 ASN 22 36.142 12.997 1.340 173 HD21 ASN 22 HD21 ASN 22 33.610 15.265 0.065 174 HD22 ASN 22 HD22 ASN 22 33.847 16.463 1.342 175 H HIS 23 HN HIS 23 37.593 12.508 -1.438 176 HA HIS 23 HA HIS 23 39.799 13.193 -1.611 177 HB2 HIS 23 HB2 HIS 23 38.329 15.463 -3.001 178 HB3 HIS 23 HB1 HIS 23 40.078 15.159 -3.143 179 HD1 HIS 23 HD1 HIS 23 38.876 14.927 -5.775 180 HD2 HIS 23 HD2 HIS 23 38.515 11.749 -3.046 181 HE1 HIS 23 HE1 HIS 23 38.401 12.811 -7.127 182 H HIS 24 HN HIS 24 38.794 16.563 -1.631 183 HA HIS 24 HA HIS 24 40.641 17.136 0.581 184 HB2 HIS 24 HB2 HIS 24 39.827 19.508 0.185 185 HB3 HIS 24 HB1 HIS 24 40.565 18.718 -1.229 186 HD1 HIS 24 HD1 HIS 24 37.000 18.455 0.200 187 HD2 HIS 24 HD2 HIS 24 38.986 19.558 -3.340 188 HE1 HIS 24 HE1 HIS 24 35.210 18.942 -1.558 Start of MODEL 97 1 H1 PHE 1 HT1 PHE 1 62.723 1.205 -2.544 2 H2 PHE 1 HT2 PHE 1 64.191 1.996 -2.870 3 H3 PHE 1 HT3 PHE 1 64.156 0.309 -2.674 4 HA PHE 1 HA PHE 1 64.155 1.540 -5.014 5 HB2 PHE 1 HB2 PHE 1 62.835 -1.097 -4.257 6 HB3 PHE 1 HB1 PHE 1 63.293 -0.625 -5.911 7 HD1 PHE 1 HD1 PHE 1 65.645 -0.470 -6.583 8 HD2 PHE 1 HD2 PHE 1 64.547 -1.583 -2.558 9 HE1 PHE 1 HE1 PHE 1 67.975 -1.245 -6.160 10 HE2 PHE 1 HE2 PHE 1 66.877 -2.358 -2.137 11 HZ PHE 1 HZ PHE 1 68.570 -2.262 -3.963 12 H LEU 2 HN LEU 2 61.667 1.998 -2.912 13 HA LEU 2 HA LEU 2 59.331 1.713 -4.536 14 HB2 LEU 2 HB2 LEU 2 60.050 3.511 -2.194 15 HB3 LEU 2 HB1 LEU 2 58.456 3.600 -2.979 16 HG LEU 2 HG LEU 2 58.117 1.174 -2.552 17 HD11 LEU 2 HD11 LEU 2 60.893 1.442 -1.336 18 HD12 LEU 2 HD12 LEU 2 60.301 0.239 -2.506 19 HD13 LEU 2 HD13 LEU 2 59.774 0.160 -0.812 20 HD21 LEU 2 HD21 LEU 2 58.905 2.794 -0.086 21 HD22 LEU 2 HD22 LEU 2 57.846 1.363 -0.090 22 HD23 LEU 2 HD23 LEU 2 57.329 2.856 -0.912 23 H GLY 3 HN GLY 3 60.271 4.966 -3.526 24 HA2 GLY 3 HA1 GLY 3 60.509 6.921 -4.738 25 HA3 GLY 3 HA2 GLY 3 61.050 5.932 -6.108 26 H ALA 4 HN ALA 4 57.918 5.906 -4.389 27 HA ALA 4 HA ALA 4 56.563 7.349 -6.537 28 HB1 ALA 4 HB1 ALA 4 56.225 4.340 -6.302 29 HB2 ALA 4 HB2 ALA 4 56.817 5.251 -7.712 30 HB3 ALA 4 HB3 ALA 4 55.120 5.410 -7.197 31 H LEU 5 HN LEU 5 55.925 4.742 -4.135 32 HA LEU 5 HA LEU 5 53.445 6.040 -3.280 33 HB2 LEU 5 HB2 LEU 5 54.931 3.867 -1.768 34 HB3 LEU 5 HB1 LEU 5 53.180 4.181 -1.835 35 HG LEU 5 HG LEU 5 54.938 3.170 -4.115 36 HD11 LEU 5 HD11 LEU 5 53.646 1.120 -3.895 37 HD12 LEU 5 HD12 LEU 5 52.590 1.864 -2.671 38 HD13 LEU 5 HD13 LEU 5 54.299 1.537 -2.294 39 HD21 LEU 5 HD21 LEU 5 52.016 4.031 -3.998 40 HD22 LEU 5 HD22 LEU 5 52.631 2.929 -5.255 41 HD23 LEU 5 HD23 LEU 5 53.282 4.579 -5.124 42 H ILE 6 HN ILE 6 55.765 7.745 -3.119 43 HA ILE 6 HA ILE 6 55.434 8.597 -0.284 44 HB ILE 6 HB ILE 6 57.945 8.714 0.077 45 HG12 ILE 6 HG12 ILE 6 58.028 6.886 -2.370 46 HG13 ILE 6 HG11 ILE 6 58.609 8.567 -2.317 47 HG21 ILE 6 HG21 ILE 6 57.083 5.837 -0.429 48 HG22 ILE 6 HG22 ILE 6 56.421 6.808 0.907 49 HG23 ILE 6 HG23 ILE 6 58.162 6.456 0.843 50 HD11 ILE 6 HD1 ILE 6 60.113 7.783 -0.345 51 HD12 ILE 6 HD2 ILE 6 60.565 7.261 -1.984 52 HD13 ILE 6 HD3 ILE 6 59.733 6.132 -0.892 53 H LYS 7 HN LYS 7 54.748 9.526 -2.926 54 HA LYS 7 HA LYS 7 56.372 12.047 -3.015 55 HB2 LYS 7 HB2 LYS 7 53.861 11.160 -4.539 56 HB3 LYS 7 HB1 LYS 7 54.649 12.745 -4.733 57 HG2 LYS 7 HG2 LYS 7 56.795 11.433 -5.311 58 HG3 LYS 7 HG1 LYS 7 55.749 9.999 -5.447 59 HD2 LYS 7 HD2 LYS 7 55.407 12.599 -7.009 60 HD3 LYS 7 HD1 LYS 7 56.080 11.084 -7.655 61 HE2 LYS 7 HE2 LYS 7 53.843 9.992 -6.901 62 HE3 LYS 7 HE1 LYS 7 53.235 11.660 -6.760 63 HZ1 LYS 7 HZ1 LYS 7 54.584 11.457 -9.191 64 HZ2 LYS 7 HZ2 LYS 7 52.917 11.659 -8.935 65 HZ3 LYS 7 HZ3 LYS 7 53.573 10.099 -9.080 66 H GLY 8 HN GLY 8 55.248 10.721 -0.941 67 HA2 GLY 8 HA1 GLY 8 54.197 10.740 0.911 68 HA3 GLY 8 HA2 GLY 8 54.095 12.543 0.770 69 H ALA 9 HN ALA 9 52.565 9.465 0.183 70 HA ALA 9 HA ALA 9 50.441 8.851 -0.450 71 HB1 ALA 9 HB1 ALA 9 49.695 11.170 1.361 72 HB2 ALA 9 HB2 ALA 9 50.212 9.567 1.936 73 HB3 ALA 9 HB3 ALA 9 48.711 9.735 0.993 74 H ILE 10 HN ILE 10 51.594 10.407 -2.399 75 HA ILE 10 HA ILE 10 51.181 12.012 -4.046 76 HB ILE 10 HB ILE 10 48.715 11.529 -5.056 77 HG12 ILE 10 HG12 ILE 10 49.244 9.130 -3.232 78 HG13 ILE 10 HG11 ILE 10 47.956 10.329 -2.997 79 HG21 ILE 10 HG21 ILE 10 50.867 9.364 -5.035 80 HG22 ILE 10 HG22 ILE 10 50.945 10.837 -6.031 81 HG23 ILE 10 HG23 ILE 10 49.649 9.654 -6.298 82 HD11 ILE 10 HD1 ILE 10 47.277 9.687 -5.477 83 HD12 ILE 10 HD2 ILE 10 46.812 8.620 -4.131 84 HD13 ILE 10 HD3 ILE 10 48.215 8.210 -5.142 85 H HIS 11 HN HIS 11 47.743 12.006 -3.319 86 HA HIS 11 HA HIS 11 47.514 14.798 -3.355 87 HB2 HIS 11 HB2 HIS 11 45.770 12.984 -1.659 88 HB3 HIS 11 HB1 HIS 11 45.328 14.518 -2.450 89 HD1 HIS 11 HD1 HIS 11 45.061 10.951 -2.909 90 HD2 HIS 11 HD2 HIS 11 45.779 14.201 -5.482 91 HE1 HIS 11 HE1 HIS 11 44.513 10.178 -5.282 92 H GLY 12 HN GLY 12 49.168 12.937 -1.023 93 HA2 GLY 12 HA1 GLY 12 48.451 14.417 1.344 94 HA3 GLY 12 HA2 GLY 12 49.955 13.513 1.095 95 H GLY 13 HN GLY 13 49.709 15.500 -1.484 96 HA2 GLY 13 HA1 GLY 13 50.590 18.015 -0.275 97 HA3 GLY 13 HA2 GLY 13 51.895 17.094 -1.054 98 H ARG 14 HN ARG 14 50.058 15.905 -3.043 99 HA ARG 14 HA ARG 14 50.375 17.876 -5.091 100 HB2 ARG 14 HB2 ARG 14 49.967 15.208 -5.103 101 HB3 ARG 14 HB1 ARG 14 48.290 15.707 -5.391 102 HG2 ARG 14 HG2 ARG 14 50.737 16.459 -7.056 103 HG3 ARG 14 HG1 ARG 14 49.414 15.373 -7.537 104 HD2 ARG 14 HD2 ARG 14 49.353 18.385 -7.163 105 HD3 ARG 14 HD1 ARG 14 48.887 17.432 -8.588 106 HE ARG 14 HE ARG 14 47.255 16.912 -6.191 107 HH11 ARG 14 HH11 ARG 14 45.412 16.399 -7.921 108 HH12 ARG 14 HH12 ARG 14 44.761 17.863 -8.581 109 HH21 ARG 14 HH21 ARG 14 47.421 19.827 -7.533 110 HH22 ARG 14 HH22 ARG 14 45.899 19.804 -8.360 111 H PHE 15 HN PHE 15 47.621 16.940 -3.026 112 HA PHE 15 HA PHE 15 45.483 18.223 -4.206 113 HB2 PHE 15 HB2 PHE 15 45.380 17.040 -2.037 114 HB3 PHE 15 HB1 PHE 15 46.234 18.395 -1.261 115 HD1 PHE 15 HD1 PHE 15 45.161 20.648 -1.120 116 HD2 PHE 15 HD2 PHE 15 43.037 17.210 -2.637 117 HE1 PHE 15 HE1 PHE 15 43.001 21.859 -0.840 118 HE2 PHE 15 HE2 PHE 15 40.878 18.421 -2.357 119 HZ PHE 15 HZ PHE 15 40.867 20.770 -1.524 120 H ILE 16 HN ILE 16 47.854 19.844 -2.021 121 HA ILE 16 HA ILE 16 46.753 22.449 -2.316 122 HB ILE 16 HB ILE 16 49.691 21.736 -1.913 123 HG12 ILE 16 HG12 ILE 16 47.915 20.713 -0.279 124 HG13 ILE 16 HG11 ILE 16 49.310 21.562 0.410 125 HG21 ILE 16 HG21 ILE 16 49.475 24.059 -2.474 126 HG22 ILE 16 HG22 ILE 16 49.674 23.980 -0.709 127 HG23 ILE 16 HG23 ILE 16 48.062 24.256 -1.412 128 HD11 ILE 16 HD1 ILE 16 47.993 23.528 0.885 129 HD12 ILE 16 HD2 ILE 16 47.055 22.130 1.456 130 HD13 ILE 16 HD3 ILE 16 46.621 22.924 -0.072 131 H HIS 17 HN HIS 17 50.023 21.844 -3.628 132 HA HIS 17 HA HIS 17 49.174 22.300 -6.385 133 HB2 HIS 17 HB2 HIS 17 48.920 24.601 -5.452 134 HB3 HIS 17 HB1 HIS 17 50.641 24.581 -5.006 135 HD1 HIS 17 HD1 HIS 17 48.792 23.503 -8.211 136 HD2 HIS 17 HD2 HIS 17 51.923 26.026 -6.978 137 HE1 HIS 17 HE1 HIS 17 49.830 24.514 -10.316 138 H GLY 18 HN GLY 18 50.683 20.365 -5.001 139 HA2 GLY 18 HA1 GLY 18 52.612 19.381 -6.394 140 HA3 GLY 18 HA2 GLY 18 53.492 20.862 -5.943 141 H MET 19 HN MET 19 52.689 21.291 -3.446 142 HA MET 19 HA MET 19 52.422 19.510 -1.533 143 HB2 MET 19 HB2 MET 19 53.999 17.864 -1.938 144 HB3 MET 19 HB1 MET 19 55.121 18.994 -2.700 145 HG2 MET 19 HG2 MET 19 55.998 19.713 -0.617 146 HG3 MET 19 HG1 MET 19 54.573 19.138 0.280 147 HE1 MET 19 HE1 MET 19 57.394 16.920 1.704 148 HE2 MET 19 HE2 MET 19 56.203 18.214 1.977 149 HE3 MET 19 HE3 MET 19 57.686 18.549 1.050 150 H ILE 20 HN ILE 20 51.563 21.324 -0.753 151 HA ILE 20 HA ILE 20 51.579 23.279 0.510 152 HB ILE 20 HB ILE 20 54.543 22.840 1.108 153 HG12 ILE 20 HG12 ILE 20 52.156 21.562 2.529 154 HG13 ILE 20 HG11 ILE 20 53.314 20.698 1.498 155 HG21 ILE 20 HG21 ILE 20 53.204 24.959 1.814 156 HG22 ILE 20 HG22 ILE 20 54.104 24.104 3.084 157 HG23 ILE 20 HG23 ILE 20 52.344 23.889 2.940 158 HD11 ILE 20 HD1 ILE 20 54.110 20.341 3.710 159 HD12 ILE 20 HD2 ILE 20 53.809 22.029 4.181 160 HD13 ILE 20 HD3 ILE 20 55.149 21.638 3.075 161 H GLN 21 HN GLN 21 52.376 22.743 -2.225 162 HA GLN 21 HA GLN 21 52.762 24.139 -4.077 163 HB2 GLN 21 HB2 GLN 21 54.161 26.188 -2.295 164 HB3 GLN 21 HB1 GLN 21 53.592 26.389 -3.960 165 HG2 GLN 21 HG2 GLN 21 51.219 25.872 -3.028 166 HG3 GLN 21 HG1 GLN 21 51.923 26.179 -1.425 167 HE21 GLN 21 HE21 GLN 21 53.873 28.192 -2.772 168 HE22 GLN 21 HE22 GLN 21 52.874 29.635 -2.976 169 H ASN 22 HN ASN 22 54.119 22.060 -2.852 170 HA ASN 22 HA ASN 22 56.137 20.975 -2.752 171 HB2 ASN 22 HB2 ASN 22 55.688 20.825 -5.085 172 HB3 ASN 22 HB1 ASN 22 56.375 22.448 -5.385 173 HD21 ASN 22 HD21 ASN 22 57.460 19.452 -3.606 174 HD22 ASN 22 HD22 ASN 22 59.070 19.444 -4.333 175 H HIS 23 HN HIS 23 56.318 22.591 -0.929 176 HA HIS 23 HA HIS 23 58.322 24.678 -1.197 177 HB2 HIS 23 HB2 HIS 23 56.626 24.577 0.633 178 HB3 HIS 23 HB1 HIS 23 57.468 23.156 1.297 179 HD1 HIS 23 HD1 HIS 23 59.641 23.524 2.592 180 HD2 HIS 23 HD2 HIS 23 58.224 27.019 0.733 181 HE1 HIS 23 HE1 HIS 23 61.012 25.479 3.499 182 H HIS 24 HN HIS 24 60.477 24.588 -1.208 183 HA HIS 24 HA HIS 24 61.955 22.512 0.177 184 HB2 HIS 24 HB2 HIS 24 63.014 21.589 -1.963 185 HB3 HIS 24 HB1 HIS 24 61.349 21.060 -1.623 186 HD1 HIS 24 HD1 HIS 24 61.299 24.549 -2.647 187 HD2 HIS 24 HD2 HIS 24 61.391 20.842 -4.636 188 HE1 HIS 24 HE1 HIS 24 60.578 24.963 -5.063 Start of MODEL 98 1 H1 PHE 1 HT1 PHE 1 56.205 12.193 4.594 2 H2 PHE 1 HT2 PHE 1 55.230 12.031 5.976 3 H3 PHE 1 HT3 PHE 1 54.577 11.752 4.433 4 HA PHE 1 HA PHE 1 56.877 10.177 5.245 5 HB2 PHE 1 HB2 PHE 1 54.040 9.590 6.178 6 HB3 PHE 1 HB1 PHE 1 55.490 8.598 6.470 7 HD1 PHE 1 HD1 PHE 1 53.752 11.773 7.305 8 HD2 PHE 1 HD2 PHE 1 57.172 9.264 8.108 9 HE1 PHE 1 HE1 PHE 1 54.260 13.117 9.341 10 HE2 PHE 1 HE2 PHE 1 57.680 10.608 10.143 11 HZ PHE 1 HZ PHE 1 56.211 12.521 10.773 12 H LEU 2 HN LEU 2 56.926 8.192 4.124 13 HA LEU 2 HA LEU 2 55.669 8.327 1.504 14 HB2 LEU 2 HB2 LEU 2 57.017 5.873 2.680 15 HB3 LEU 2 HB1 LEU 2 56.947 6.401 0.982 16 HG LEU 2 HG LEU 2 58.469 7.760 3.250 17 HD11 LEU 2 HD11 LEU 2 59.422 6.408 0.687 18 HD12 LEU 2 HD12 LEU 2 59.479 5.673 2.307 19 HD13 LEU 2 HD13 LEU 2 60.451 7.121 1.951 20 HD21 LEU 2 HD21 LEU 2 57.957 8.559 0.355 21 HD22 LEU 2 HD22 LEU 2 59.339 9.189 1.285 22 HD23 LEU 2 HD23 LEU 2 57.678 9.521 1.826 23 H GLY 3 HN GLY 3 53.444 8.282 1.733 24 HA2 GLY 3 HA1 GLY 3 52.106 6.283 3.341 25 HA3 GLY 3 HA2 GLY 3 51.360 7.344 2.129 26 H ALA 4 HN ALA 4 51.759 6.763 -0.186 27 HA ALA 4 HA ALA 4 51.270 3.850 -0.493 28 HB1 ALA 4 HB1 ALA 4 51.158 6.183 -2.435 29 HB2 ALA 4 HB2 ALA 4 49.781 5.375 -1.647 30 HB3 ALA 4 HB3 ALA 4 50.761 4.500 -2.849 31 H LEU 5 HN LEU 5 53.565 6.363 -1.589 32 HA LEU 5 HA LEU 5 55.706 4.412 -1.774 33 HB2 LEU 5 HB2 LEU 5 54.158 4.170 -3.929 34 HB3 LEU 5 HB1 LEU 5 55.024 5.623 -4.469 35 HG LEU 5 HG LEU 5 56.302 2.984 -3.605 36 HD11 LEU 5 HD11 LEU 5 56.840 2.694 -5.944 37 HD12 LEU 5 HD12 LEU 5 56.238 4.321 -6.342 38 HD13 LEU 5 HD13 LEU 5 55.100 3.047 -5.844 39 HD21 LEU 5 HD21 LEU 5 57.451 5.664 -4.484 40 HD22 LEU 5 HD22 LEU 5 58.379 4.151 -4.608 41 HD23 LEU 5 HD23 LEU 5 57.833 4.729 -3.019 42 H ILE 6 HN ILE 6 54.665 7.457 -3.394 43 HA ILE 6 HA ILE 6 56.441 9.111 -1.799 44 HB ILE 6 HB ILE 6 58.000 7.742 -3.485 45 HG12 ILE 6 HG12 ILE 6 58.217 10.779 -3.216 46 HG13 ILE 6 HG11 ILE 6 58.753 9.581 -2.024 47 HG21 ILE 6 HG21 ILE 6 57.561 9.988 -5.444 48 HG22 ILE 6 HG22 ILE 6 56.369 8.668 -5.451 49 HG23 ILE 6 HG23 ILE 6 58.089 8.316 -5.719 50 HD11 ILE 6 HD1 ILE 6 60.211 8.579 -3.878 51 HD12 ILE 6 HD2 ILE 6 60.704 10.179 -3.277 52 HD13 ILE 6 HD3 ILE 6 59.842 10.037 -4.826 53 H LYS 7 HN LYS 7 56.875 10.988 -4.184 54 HA LYS 7 HA LYS 7 55.685 12.907 -4.728 55 HB2 LYS 7 HB2 LYS 7 53.313 10.981 -4.990 56 HB3 LYS 7 HB1 LYS 7 53.335 12.666 -5.561 57 HG2 LYS 7 HG2 LYS 7 55.344 12.041 -6.999 58 HG3 LYS 7 HG1 LYS 7 55.026 10.343 -6.570 59 HD2 LYS 7 HD2 LYS 7 52.665 10.648 -7.430 60 HD3 LYS 7 HD1 LYS 7 53.150 12.256 -8.021 61 HE2 LYS 7 HE2 LYS 7 54.419 9.599 -8.821 62 HE3 LYS 7 HE1 LYS 7 53.330 10.582 -9.828 63 HZ1 LYS 7 HZ1 LYS 7 56.060 11.270 -8.879 64 HZ2 LYS 7 HZ2 LYS 7 54.994 12.428 -9.520 65 HZ3 LYS 7 HZ3 LYS 7 55.514 11.125 -10.478 66 H GLY 8 HN GLY 8 56.127 11.587 -2.407 67 HA2 GLY 8 HA1 GLY 8 55.664 11.247 -0.262 68 HA3 GLY 8 HA2 GLY 8 55.475 13.044 -0.258 69 H ALA 9 HN ALA 9 53.814 9.970 -0.733 70 HA ALA 9 HA ALA 9 51.705 9.259 -0.199 71 HB1 ALA 9 HB1 ALA 9 50.524 10.258 1.591 72 HB2 ALA 9 HB2 ALA 9 51.204 11.870 1.267 73 HB3 ALA 9 HB3 ALA 9 52.232 10.592 1.957 74 H ILE 10 HN ILE 10 51.535 9.609 -2.546 75 HA ILE 10 HA ILE 10 50.642 10.617 -4.436 76 HB ILE 10 HB ILE 10 48.030 11.157 -4.058 77 HG12 ILE 10 HG12 ILE 10 48.338 10.965 -1.481 78 HG13 ILE 10 HG11 ILE 10 46.980 10.127 -2.218 79 HG21 ILE 10 HG21 ILE 10 48.679 9.350 -5.446 80 HG22 ILE 10 HG22 ILE 10 47.614 8.622 -4.221 81 HG23 ILE 10 HG23 ILE 10 49.380 8.435 -4.093 82 HD11 ILE 10 HD1 ILE 10 48.410 8.830 -0.460 83 HD12 ILE 10 HD2 ILE 10 49.590 8.643 -1.769 84 HD13 ILE 10 HD3 ILE 10 47.951 7.996 -1.958 85 H HIS 11 HN HIS 11 48.402 12.505 -2.482 86 HA HIS 11 HA HIS 11 49.920 14.999 -3.280 87 HB2 HIS 11 HB2 HIS 11 46.927 14.436 -3.264 88 HB3 HIS 11 HB1 HIS 11 47.618 16.072 -3.367 89 HD1 HIS 11 HD1 HIS 11 48.943 16.714 -5.529 90 HD2 HIS 11 HD2 HIS 11 47.325 12.836 -5.603 91 HE1 HIS 11 HE1 HIS 11 49.049 15.891 -7.945 92 H GLY 12 HN GLY 12 50.373 13.599 -0.883 93 HA2 GLY 12 HA1 GLY 12 50.628 14.178 1.352 94 HA3 GLY 12 HA2 GLY 12 49.836 15.730 1.008 95 H GLY 13 HN GLY 13 48.593 12.427 0.503 96 HA2 GLY 13 HA1 GLY 13 46.714 11.387 1.361 97 HA3 GLY 13 HA2 GLY 13 47.004 12.290 2.861 98 H ARG 14 HN ARG 14 46.547 13.952 -0.184 99 HA ARG 14 HA ARG 14 43.956 15.043 0.882 100 HB2 ARG 14 HB2 ARG 14 46.118 16.403 0.010 101 HB3 ARG 14 HB1 ARG 14 45.331 16.175 -1.564 102 HG2 ARG 14 HG2 ARG 14 44.125 17.484 0.920 103 HG3 ARG 14 HG1 ARG 14 44.599 18.297 -0.588 104 HD2 ARG 14 HD2 ARG 14 42.912 16.639 -1.733 105 HD3 ARG 14 HD1 ARG 14 42.263 16.435 -0.087 106 HE ARG 14 HE ARG 14 42.556 19.238 -0.811 107 HH11 ARG 14 HH11 ARG 14 40.313 18.185 0.838 108 HH12 ARG 14 HH12 ARG 14 38.974 18.264 -0.257 109 HH21 ARG 14 HH21 ARG 14 40.962 18.578 -3.081 110 HH22 ARG 14 HH22 ARG 14 39.341 18.487 -2.476 111 H PHE 15 HN PHE 15 45.464 13.284 -1.787 112 HA PHE 15 HA PHE 15 43.448 13.419 -3.734 113 HB2 PHE 15 HB2 PHE 15 45.683 12.180 -3.851 114 HB3 PHE 15 HB1 PHE 15 44.881 10.843 -2.995 115 HD1 PHE 15 HD1 PHE 15 45.009 12.801 -6.140 116 HD2 PHE 15 HD2 PHE 15 43.125 9.518 -4.068 117 HE1 PHE 15 HE1 PHE 15 44.029 12.007 -8.290 118 HE2 PHE 15 HE2 PHE 15 42.144 8.723 -6.216 119 HZ PHE 15 HZ PHE 15 42.631 9.945 -8.334 120 H ILE 16 HN ILE 16 43.559 11.471 -0.753 121 HA ILE 16 HA ILE 16 41.199 9.929 -1.377 122 HB ILE 16 HB ILE 16 42.188 10.616 1.424 123 HG12 ILE 16 HG12 ILE 16 43.168 8.488 -0.532 124 HG13 ILE 16 HG11 ILE 16 44.107 9.871 0.079 125 HG21 ILE 16 HG21 ILE 16 41.138 8.550 2.045 126 HG22 ILE 16 HG22 ILE 16 40.925 8.063 0.347 127 HG23 ILE 16 HG23 ILE 16 39.958 9.398 1.020 128 HD11 ILE 16 HD1 ILE 16 43.592 8.907 2.450 129 HD12 ILE 16 HD2 ILE 16 44.802 8.068 1.451 130 HD13 ILE 16 HD3 ILE 16 43.154 7.412 1.585 131 H HIS 17 HN HIS 17 41.335 12.152 1.452 132 HA HIS 17 HA HIS 17 39.176 13.824 0.354 133 HB2 HIS 17 HB2 HIS 17 38.590 11.647 2.385 134 HB3 HIS 17 HB1 HIS 17 37.625 13.144 2.359 135 HD1 HIS 17 HD1 HIS 17 37.589 13.583 -0.754 136 HD2 HIS 17 HD2 HIS 17 36.787 9.916 1.145 137 HE1 HIS 17 HE1 HIS 17 36.158 12.195 -2.352 138 H GLY 18 HN GLY 18 41.894 13.859 1.668 139 HA2 GLY 18 HA1 GLY 18 42.368 16.137 2.760 140 HA3 GLY 18 HA2 GLY 18 41.266 15.583 4.046 141 H MET 19 HN MET 19 41.789 13.023 4.236 142 HA MET 19 HA MET 19 44.266 11.977 4.231 143 HB2 MET 19 HB2 MET 19 44.330 14.131 6.178 144 HB3 MET 19 HB1 MET 19 44.521 12.588 7.029 145 HG2 MET 19 HG2 MET 19 46.347 11.995 5.380 146 HG3 MET 19 HG1 MET 19 46.218 13.645 4.728 147 HE1 MET 19 HE1 MET 19 49.442 14.244 6.589 148 HE2 MET 19 HE2 MET 19 48.410 14.726 5.221 149 HE3 MET 19 HE3 MET 19 48.894 13.024 5.415 150 H ILE 20 HN ILE 20 42.844 10.352 3.774 151 HA ILE 20 HA ILE 20 41.576 8.490 4.367 152 HB ILE 20 HB ILE 20 42.230 8.965 7.311 153 HG12 ILE 20 HG12 ILE 20 44.031 7.747 5.162 154 HG13 ILE 20 HG11 ILE 20 44.376 9.185 6.147 155 HG21 ILE 20 HG21 ILE 20 42.087 6.345 5.759 156 HG22 ILE 20 HG22 ILE 20 40.633 7.111 6.433 157 HG23 ILE 20 HG23 ILE 20 41.947 6.601 7.514 158 HD11 ILE 20 HD1 ILE 20 44.110 7.617 8.201 159 HD12 ILE 20 HD2 ILE 20 45.583 7.439 7.216 160 HD13 ILE 20 HD3 ILE 20 44.244 6.282 7.029 161 H GLN 21 HN GLN 21 41.023 11.414 4.545 162 HA GLN 21 HA GLN 21 38.887 12.491 4.552 163 HB2 GLN 21 HB2 GLN 21 37.781 10.174 5.175 164 HB3 GLN 21 HB1 GLN 21 37.926 10.742 6.856 165 HG2 GLN 21 HG2 GLN 21 36.692 12.826 6.226 166 HG3 GLN 21 HG1 GLN 21 36.476 12.171 4.584 167 HE21 GLN 21 HE21 GLN 21 36.107 10.864 7.970 168 HE22 GLN 21 HE22 GLN 21 34.516 10.160 7.661 169 H ASN 22 HN ASN 22 41.419 12.700 5.792 170 HA ASN 22 HA ASN 22 42.525 13.740 7.521 171 HB2 ASN 22 HB2 ASN 22 41.629 15.641 6.386 172 HB3 ASN 22 HB1 ASN 22 40.069 15.490 7.246 173 HD21 ASN 22 HD21 ASN 22 43.577 16.194 7.734 174 HD22 ASN 22 HD22 ASN 22 43.341 17.078 9.246 175 H HIS 23 HN HIS 23 41.470 11.510 8.354 176 HA HIS 23 HA HIS 23 39.651 11.697 10.569 177 HB2 HIS 23 HB2 HIS 23 40.298 9.579 9.428 178 HB3 HIS 23 HB1 HIS 23 41.919 9.709 10.150 179 HD1 HIS 23 HD1 HIS 23 38.390 10.185 11.627 180 HD2 HIS 23 HD2 HIS 23 41.886 7.941 12.272 181 HE1 HIS 23 HE1 HIS 23 38.047 8.842 13.773 182 H HIS 24 HN HIS 24 39.856 12.631 12.485 183 HA HIS 24 HA HIS 24 42.297 13.858 13.349 184 HB2 HIS 24 HB2 HIS 24 41.087 14.126 15.531 185 HB3 HIS 24 HB1 HIS 24 40.145 14.675 14.125 186 HD1 HIS 24 HD1 HIS 24 40.322 11.972 16.760 187 HD2 HIS 24 HD2 HIS 24 37.924 12.987 13.457 188 HE1 HIS 24 HE1 HIS 24 38.202 10.551 16.892 Start of MODEL 99 1 H1 PHE 1 HT1 PHE 1 61.151 5.668 7.695 2 H2 PHE 1 HT2 PHE 1 61.731 4.976 6.256 3 H3 PHE 1 HT3 PHE 1 62.489 4.630 7.737 4 HA PHE 1 HA PHE 1 61.084 2.828 6.910 5 HB2 PHE 1 HB2 PHE 1 60.278 4.183 9.516 6 HB3 PHE 1 HB1 PHE 1 59.903 2.498 9.080 7 HD1 PHE 1 HD1 PHE 1 61.691 0.806 8.896 8 HD2 PHE 1 HD2 PHE 1 62.556 4.867 10.072 9 HE1 PHE 1 HE1 PHE 1 63.940 0.094 9.698 10 HE2 PHE 1 HE2 PHE 1 64.806 4.155 10.873 11 HZ PHE 1 HZ PHE 1 65.472 1.757 10.744 12 H LEU 2 HN LEU 2 60.094 5.077 5.412 13 HA LEU 2 HA LEU 2 57.301 5.523 6.037 14 HB2 LEU 2 HB2 LEU 2 58.562 5.746 3.282 15 HB3 LEU 2 HB1 LEU 2 57.197 6.669 3.954 16 HG LEU 2 HG LEU 2 60.107 6.819 4.860 17 HD11 LEU 2 HD11 LEU 2 59.488 7.942 2.682 18 HD12 LEU 2 HD12 LEU 2 60.048 9.067 3.942 19 HD13 LEU 2 HD13 LEU 2 58.311 8.925 3.584 20 HD21 LEU 2 HD21 LEU 2 59.132 8.797 6.231 21 HD22 LEU 2 HD22 LEU 2 58.794 7.159 6.829 22 HD23 LEU 2 HD23 LEU 2 57.540 8.057 5.940 23 H GLY 3 HN GLY 3 56.381 5.084 3.242 24 HA2 GLY 3 HA1 GLY 3 56.515 2.241 2.719 25 HA3 GLY 3 HA2 GLY 3 55.019 2.669 3.571 26 H ALA 4 HN ALA 4 54.490 5.181 2.491 27 HA ALA 4 HA ALA 4 53.149 4.461 0.082 28 HB1 ALA 4 HB1 ALA 4 52.856 6.950 -0.182 29 HB2 ALA 4 HB2 ALA 4 53.921 7.162 1.228 30 HB3 ALA 4 HB3 ALA 4 52.368 6.312 1.405 31 H LEU 5 HN LEU 5 53.476 5.095 -2.089 32 HA LEU 5 HA LEU 5 56.293 4.955 -2.885 33 HB2 LEU 5 HB2 LEU 5 53.983 4.074 -4.021 34 HB3 LEU 5 HB1 LEU 5 54.137 5.612 -4.892 35 HG LEU 5 HG LEU 5 56.299 3.457 -4.715 36 HD11 LEU 5 HD11 LEU 5 54.252 2.870 -6.077 37 HD12 LEU 5 HD12 LEU 5 55.752 2.969 -7.030 38 HD13 LEU 5 HD13 LEU 5 54.575 4.303 -7.081 39 HD21 LEU 5 HD21 LEU 5 56.116 6.063 -6.295 40 HD22 LEU 5 HD22 LEU 5 57.383 4.832 -6.504 41 HD23 LEU 5 HD23 LEU 5 57.247 5.714 -4.966 42 H ILE 6 HN ILE 6 55.883 7.214 -1.299 43 HA ILE 6 HA ILE 6 56.109 9.555 -1.271 44 HB ILE 6 HB ILE 6 57.501 9.374 -3.991 45 HG12 ILE 6 HG12 ILE 6 58.541 8.225 -1.358 46 HG13 ILE 6 HG11 ILE 6 58.209 7.320 -2.852 47 HG21 ILE 6 HG21 ILE 6 58.464 10.674 -1.411 48 HG22 ILE 6 HG22 ILE 6 57.281 11.483 -2.464 49 HG23 ILE 6 HG23 ILE 6 58.895 11.076 -3.091 50 HD11 ILE 6 HD1 ILE 6 60.568 7.690 -2.860 51 HD12 ILE 6 HD2 ILE 6 60.383 9.386 -2.354 52 HD13 ILE 6 HD3 ILE 6 59.908 8.889 -3.997 53 H LYS 7 HN LYS 7 56.484 11.002 -4.027 54 HA LYS 7 HA LYS 7 54.978 12.460 -5.060 55 HB2 LYS 7 HB2 LYS 7 53.137 10.007 -5.039 56 HB3 LYS 7 HB1 LYS 7 52.823 11.509 -5.941 57 HG2 LYS 7 HG2 LYS 7 54.703 11.161 -7.383 58 HG3 LYS 7 HG1 LYS 7 55.367 9.887 -6.336 59 HD2 LYS 7 HD2 LYS 7 54.279 8.918 -8.344 60 HD3 LYS 7 HD1 LYS 7 53.439 8.431 -6.853 61 HE2 LYS 7 HE2 LYS 7 51.967 9.211 -8.830 62 HE3 LYS 7 HE1 LYS 7 51.637 9.944 -7.244 63 HZ1 LYS 7 HZ1 LYS 7 52.017 11.360 -9.456 64 HZ2 LYS 7 HZ2 LYS 7 53.624 11.283 -8.909 65 HZ3 LYS 7 HZ3 LYS 7 52.414 11.940 -7.913 66 H GLY 8 HN GLY 8 55.430 11.796 -2.475 67 HA2 GLY 8 HA1 GLY 8 54.787 11.774 -0.346 68 HA3 GLY 8 HA2 GLY 8 54.244 13.449 -0.749 69 H ALA 9 HN ALA 9 53.346 10.098 -0.287 70 HA ALA 9 HA ALA 9 51.339 9.075 0.158 71 HB1 ALA 9 HB1 ALA 9 51.366 10.633 2.071 72 HB2 ALA 9 HB2 ALA 9 49.709 10.335 1.497 73 HB3 ALA 9 HB3 ALA 9 50.534 11.856 1.084 74 H ILE 10 HN ILE 10 51.557 9.406 -2.418 75 HA ILE 10 HA ILE 10 50.277 9.357 -4.324 76 HB ILE 10 HB ILE 10 48.273 9.117 -2.297 77 HG12 ILE 10 HG12 ILE 10 46.819 8.376 -4.335 78 HG13 ILE 10 HG11 ILE 10 48.254 8.737 -5.319 79 HG21 ILE 10 HG21 ILE 10 47.312 11.100 -4.407 80 HG22 ILE 10 HG22 ILE 10 47.657 11.517 -2.711 81 HG23 ILE 10 HG23 ILE 10 46.350 10.377 -3.099 82 HD11 ILE 10 HD1 ILE 10 49.584 7.185 -3.836 83 HD12 ILE 10 HD2 ILE 10 48.271 6.368 -4.714 84 HD13 ILE 10 HD3 ILE 10 48.076 6.770 -2.992 85 H HIS 11 HN HIS 11 49.808 12.147 -2.186 86 HA HIS 11 HA HIS 11 50.825 13.991 -4.131 87 HB2 HIS 11 HB2 HIS 11 48.685 13.640 -5.287 88 HB3 HIS 11 HB1 HIS 11 47.796 13.975 -3.784 89 HD1 HIS 11 HD1 HIS 11 49.726 15.627 -6.571 90 HD2 HIS 11 HD2 HIS 11 47.857 16.742 -2.973 91 HE1 HIS 11 HE1 HIS 11 49.512 18.173 -6.581 92 H GLY 12 HN GLY 12 49.420 13.069 -1.158 93 HA2 GLY 12 HA1 GLY 12 50.668 14.597 0.623 94 HA3 GLY 12 HA2 GLY 12 49.540 15.817 -0.007 95 H GLY 13 HN GLY 13 48.557 12.481 0.033 96 HA2 GLY 13 HA1 GLY 13 46.887 11.412 1.223 97 HA3 GLY 13 HA2 GLY 13 47.488 12.286 2.648 98 H ARG 14 HN ARG 14 45.610 12.872 -0.344 99 HA ARG 14 HA ARG 14 43.326 13.819 1.164 100 HB2 ARG 14 HB2 ARG 14 43.364 16.159 0.627 101 HB3 ARG 14 HB1 ARG 14 44.931 15.772 1.361 102 HG2 ARG 14 HG2 ARG 14 45.617 17.021 -0.497 103 HG3 ARG 14 HG1 ARG 14 45.716 15.372 -1.140 104 HD2 ARG 14 HD2 ARG 14 44.297 16.010 -2.824 105 HD3 ARG 14 HD1 ARG 14 43.012 16.289 -1.630 106 HE ARG 14 HE ARG 14 44.576 18.582 -1.480 107 HH11 ARG 14 HH11 ARG 14 41.824 17.718 -2.967 108 HH12 ARG 14 HH12 ARG 14 42.008 18.697 -4.384 109 HH21 ARG 14 HH21 ARG 14 45.328 19.465 -3.742 110 HH22 ARG 14 HH22 ARG 14 43.992 19.687 -4.822 111 H PHE 15 HN PHE 15 45.129 13.847 -1.918 112 HA PHE 15 HA PHE 15 42.896 14.209 -3.643 113 HB2 PHE 15 HB2 PHE 15 45.233 14.302 -4.423 114 HB3 PHE 15 HB1 PHE 15 45.426 12.564 -4.084 115 HD1 PHE 15 HD1 PHE 15 44.883 10.980 -5.767 116 HD2 PHE 15 HD2 PHE 15 43.277 14.979 -6.020 117 HE1 PHE 15 HE1 PHE 15 43.931 10.456 -8.009 118 HE2 PHE 15 HE2 PHE 15 42.325 14.454 -8.262 119 HZ PHE 15 HZ PHE 15 42.598 12.173 -9.228 120 H ILE 16 HN ILE 16 41.140 13.080 -2.786 121 HA ILE 16 HA ILE 16 39.872 11.211 -2.216 122 HB ILE 16 HB ILE 16 39.557 9.631 -4.122 123 HG12 ILE 16 HG12 ILE 16 41.719 11.284 -5.521 124 HG13 ILE 16 HG11 ILE 16 42.005 9.665 -4.852 125 HG21 ILE 16 HG21 ILE 16 38.592 11.263 -5.599 126 HG22 ILE 16 HG22 ILE 16 39.762 12.509 -5.104 127 HG23 ILE 16 HG23 ILE 16 38.508 11.964 -3.969 128 HD11 ILE 16 HD1 ILE 16 39.992 8.907 -6.306 129 HD12 ILE 16 HD2 ILE 16 41.513 9.287 -7.144 130 HD13 ILE 16 HD3 ILE 16 40.182 10.466 -7.143 131 H HIS 17 HN HIS 17 42.093 11.008 -0.745 132 HA HIS 17 HA HIS 17 42.354 8.089 -0.482 133 HB2 HIS 17 HB2 HIS 17 44.086 8.585 -2.203 134 HB3 HIS 17 HB1 HIS 17 44.837 9.748 -1.084 135 HD1 HIS 17 HD1 HIS 17 44.293 6.050 -1.663 136 HD2 HIS 17 HD2 HIS 17 46.140 8.544 1.173 137 HE1 HIS 17 HE1 HIS 17 45.776 4.572 -0.201 138 H GLY 18 HN GLY 18 42.525 11.306 0.549 139 HA2 GLY 18 HA1 GLY 18 42.983 10.423 3.366 140 HA3 GLY 18 HA2 GLY 18 43.966 11.751 2.710 141 H MET 19 HN MET 19 40.587 10.824 2.211 142 HA MET 19 HA MET 19 39.359 12.872 3.815 143 HB2 MET 19 HB2 MET 19 40.421 14.263 2.172 144 HB3 MET 19 HB1 MET 19 39.631 13.342 0.903 145 HG2 MET 19 HG2 MET 19 37.435 14.087 1.621 146 HG3 MET 19 HG1 MET 19 38.119 14.817 3.091 147 HE1 MET 19 HE1 MET 19 36.788 16.970 2.550 148 HE2 MET 19 HE2 MET 19 36.159 16.246 1.050 149 HE3 MET 19 HE3 MET 19 36.882 17.872 1.018 150 H ILE 20 HN ILE 20 39.070 11.417 0.524 151 HA ILE 20 HA ILE 20 36.268 10.670 1.027 152 HB ILE 20 HB ILE 20 38.357 9.835 -1.045 153 HG12 ILE 20 HG12 ILE 20 36.875 10.928 -2.609 154 HG13 ILE 20 HG11 ILE 20 35.571 11.022 -1.406 155 HG21 ILE 20 HG21 ILE 20 36.428 8.500 -2.096 156 HG22 ILE 20 HG22 ILE 20 35.611 8.625 -0.520 157 HG23 ILE 20 HG23 ILE 20 37.172 7.780 -0.649 158 HD11 ILE 20 HD1 ILE 20 38.252 12.392 -0.975 159 HD12 ILE 20 HD2 ILE 20 36.713 12.689 -0.134 160 HD13 ILE 20 HD3 ILE 20 36.912 13.187 -1.831 161 H GLN 21 HN GLN 21 39.265 10.030 2.137 162 HA GLN 21 HA GLN 21 38.545 7.404 3.346 163 HB2 GLN 21 HB2 GLN 21 40.458 7.331 1.661 164 HB3 GLN 21 HB1 GLN 21 41.339 8.451 2.727 165 HG2 GLN 21 HG2 GLN 21 42.057 6.218 3.295 166 HG3 GLN 21 HG1 GLN 21 40.995 6.771 4.609 167 HE21 GLN 21 HE21 GLN 21 40.350 5.353 1.317 168 HE22 GLN 21 HE22 GLN 21 39.291 4.078 1.931 169 H ASN 22 HN ASN 22 39.661 10.877 3.660 170 HA ASN 22 HA ASN 22 39.880 10.264 6.670 171 HB2 ASN 22 HB2 ASN 22 41.948 11.176 5.351 172 HB3 ASN 22 HB1 ASN 22 41.079 12.724 5.383 173 HD21 ASN 22 HD21 ASN 22 41.059 13.927 7.324 174 HD22 ASN 22 HD22 ASN 22 41.795 13.344 8.821 175 H HIS 23 HN HIS 23 37.449 10.927 4.965 176 HA HIS 23 HA HIS 23 36.580 13.565 5.347 177 HB2 HIS 23 HB2 HIS 23 35.279 11.867 4.121 178 HB3 HIS 23 HB1 HIS 23 34.948 11.010 5.644 179 HD1 HIS 23 HD1 HIS 23 32.361 11.444 5.251 180 HD2 HIS 23 HD2 HIS 23 34.678 14.927 5.675 181 HE1 HIS 23 HE1 HIS 23 30.757 13.376 5.720 182 H HIS 24 HN HIS 24 35.686 10.846 7.527 183 HA HIS 24 HA HIS 24 34.740 12.505 9.629 184 HB2 HIS 24 HB2 HIS 24 36.043 9.772 9.923 185 HB3 HIS 24 HB1 HIS 24 34.870 10.529 11.026 186 HD1 HIS 24 HD1 HIS 24 32.380 10.707 10.242 187 HD2 HIS 24 HD2 HIS 24 34.903 8.599 7.620 188 HE1 HIS 24 HE1 HIS 24 30.889 9.510 8.548 Start of MODEL 100 1 H1 PHE 1 HT1 PHE 1 59.620 3.981 8.139 2 H2 PHE 1 HT2 PHE 1 59.046 5.517 8.582 3 H3 PHE 1 HT3 PHE 1 60.580 4.998 9.096 4 HA PHE 1 HA PHE 1 60.613 6.610 7.258 5 HB2 PHE 1 HB2 PHE 1 62.455 4.970 7.774 6 HB3 PHE 1 HB1 PHE 1 61.732 3.863 6.583 7 HD1 PHE 1 HD1 PHE 1 62.841 7.455 6.921 8 HD2 PHE 1 HD2 PHE 1 62.437 4.026 4.327 9 HE1 PHE 1 HE1 PHE 1 63.996 8.697 5.097 10 HE2 PHE 1 HE2 PHE 1 63.595 5.269 2.506 11 HZ PHE 1 HZ PHE 1 64.420 7.586 2.907 12 H LEU 2 HN LEU 2 60.049 7.143 5.184 13 HA LEU 2 HA LEU 2 57.666 5.920 4.129 14 HB2 LEU 2 HB2 LEU 2 59.598 7.665 2.566 15 HB3 LEU 2 HB1 LEU 2 57.838 7.508 2.359 16 HG LEU 2 HG LEU 2 59.294 8.744 4.739 17 HD11 LEU 2 HD11 LEU 2 59.128 10.100 2.620 18 HD12 LEU 2 HD12 LEU 2 58.251 10.816 3.993 19 HD13 LEU 2 HD13 LEU 2 57.356 9.954 2.718 20 HD21 LEU 2 HD21 LEU 2 56.364 8.058 4.258 21 HD22 LEU 2 HD22 LEU 2 56.851 9.345 5.389 22 HD23 LEU 2 HD23 LEU 2 57.374 7.670 5.671 23 H GLY 3 HN GLY 3 57.566 5.266 1.728 24 HA2 GLY 3 HA1 GLY 3 59.846 3.998 0.535 25 HA3 GLY 3 HA2 GLY 3 58.897 2.795 1.430 26 H ALA 4 HN ALA 4 56.502 4.717 0.788 27 HA ALA 4 HA ALA 4 55.493 3.159 -1.396 28 HB1 ALA 4 HB1 ALA 4 53.607 4.641 -1.349 29 HB2 ALA 4 HB2 ALA 4 54.555 5.917 -0.547 30 HB3 ALA 4 HB3 ALA 4 54.149 4.423 0.331 31 H LEU 5 HN LEU 5 54.288 5.486 -2.830 32 HA LEU 5 HA LEU 5 56.342 5.679 -4.904 33 HB2 LEU 5 HB2 LEU 5 53.747 7.252 -4.757 34 HB3 LEU 5 HB1 LEU 5 54.670 6.776 -6.202 35 HG LEU 5 HG LEU 5 53.236 4.878 -4.288 36 HD11 LEU 5 HD11 LEU 5 52.650 5.695 -7.169 37 HD12 LEU 5 HD12 LEU 5 51.718 6.193 -5.737 38 HD13 LEU 5 HD13 LEU 5 51.748 4.483 -6.229 39 HD21 LEU 5 HD21 LEU 5 54.985 4.445 -6.746 40 HD22 LEU 5 HD22 LEU 5 53.789 3.234 -6.226 41 HD23 LEU 5 HD23 LEU 5 55.124 3.685 -5.143 42 H ILE 6 HN ILE 6 55.718 7.367 -2.037 43 HA ILE 6 HA ILE 6 56.328 9.504 -1.239 44 HB ILE 6 HB ILE 6 58.670 9.516 -3.220 45 HG12 ILE 6 HG12 ILE 6 58.388 7.102 -2.549 46 HG13 ILE 6 HG11 ILE 6 59.904 7.830 -1.991 47 HG21 ILE 6 HG21 ILE 6 58.595 11.271 -1.560 48 HG22 ILE 6 HG22 ILE 6 59.895 10.146 -1.107 49 HG23 ILE 6 HG23 ILE 6 58.341 10.103 -0.242 50 HD11 ILE 6 HD1 ILE 6 59.162 7.965 0.256 51 HD12 ILE 6 HD2 ILE 6 58.559 6.387 -0.298 52 HD13 ILE 6 HD3 ILE 6 57.454 7.772 -0.198 53 H LYS 7 HN LYS 7 54.457 9.429 -3.330 54 HA LYS 7 HA LYS 7 55.052 12.022 -4.720 55 HB2 LYS 7 HB2 LYS 7 52.558 10.232 -4.635 56 HB3 LYS 7 HB1 LYS 7 52.645 11.789 -5.497 57 HG2 LYS 7 HG2 LYS 7 54.595 10.868 -6.816 58 HG3 LYS 7 HG1 LYS 7 54.294 9.287 -6.057 59 HD2 LYS 7 HD2 LYS 7 52.005 9.262 -6.974 60 HD3 LYS 7 HD1 LYS 7 52.267 10.865 -7.701 61 HE2 LYS 7 HE2 LYS 7 52.591 8.994 -9.340 62 HE3 LYS 7 HE1 LYS 7 54.057 9.978 -9.117 63 HZ1 LYS 7 HZ1 LYS 7 53.476 7.379 -7.783 64 HZ2 LYS 7 HZ2 LYS 7 54.864 8.325 -7.535 65 HZ3 LYS 7 HZ3 LYS 7 54.571 7.622 -9.054 66 H GLY 8 HN GLY 8 55.350 11.288 -2.133 67 HA2 GLY 8 HA1 GLY 8 55.148 11.682 -0.047 68 HA3 GLY 8 HA2 GLY 8 54.529 13.323 -0.497 69 H ALA 9 HN ALA 9 53.573 9.919 -0.265 70 HA ALA 9 HA ALA 9 51.717 8.897 0.598 71 HB1 ALA 9 HB1 ALA 9 52.057 10.687 2.441 72 HB2 ALA 9 HB2 ALA 9 50.458 9.918 2.313 73 HB3 ALA 9 HB3 ALA 9 50.714 11.554 1.662 74 H ILE 10 HN ILE 10 51.401 8.854 -1.802 75 HA ILE 10 HA ILE 10 49.924 8.883 -3.571 76 HB ILE 10 HB ILE 10 48.054 9.626 -1.299 77 HG12 ILE 10 HG12 ILE 10 46.861 7.623 -2.118 78 HG13 ILE 10 HG11 ILE 10 47.989 7.508 -3.489 79 HG21 ILE 10 HG21 ILE 10 46.157 9.673 -3.068 80 HG22 ILE 10 HG22 ILE 10 47.439 10.080 -4.232 81 HG23 ILE 10 HG23 ILE 10 47.122 11.152 -2.844 82 HD11 ILE 10 HD1 ILE 10 48.890 7.480 -0.581 83 HD12 ILE 10 HD2 ILE 10 49.859 7.087 -2.022 84 HD13 ILE 10 HD3 ILE 10 48.543 6.003 -1.509 85 H HIS 11 HN HIS 11 48.920 11.833 -1.800 86 HA HIS 11 HA HIS 11 50.254 13.535 -3.826 87 HB2 HIS 11 HB2 HIS 11 48.031 13.001 -4.837 88 HB3 HIS 11 HB1 HIS 11 47.238 13.623 -3.369 89 HD1 HIS 11 HD1 HIS 11 46.529 16.000 -3.541 90 HD2 HIS 11 HD2 HIS 11 49.839 15.171 -5.997 91 HE1 HIS 11 HE1 HIS 11 47.139 18.164 -4.753 92 H GLY 12 HN GLY 12 49.447 12.701 -0.791 93 HA2 GLY 12 HA1 GLY 12 49.612 13.794 1.247 94 HA3 GLY 12 HA2 GLY 12 50.443 15.108 0.390 95 H GLY 13 HN GLY 13 47.293 14.189 -0.714 96 HA2 GLY 13 HA1 GLY 13 45.801 15.992 1.006 97 HA3 GLY 13 HA2 GLY 13 46.166 16.722 -0.571 98 H ARG 14 HN ARG 14 46.099 14.173 -2.015 99 HA ARG 14 HA ARG 14 43.176 14.069 -2.398 100 HB2 ARG 14 HB2 ARG 14 44.979 14.027 -4.247 101 HB3 ARG 14 HB1 ARG 14 45.276 12.345 -3.762 102 HG2 ARG 14 HG2 ARG 14 43.687 12.298 -5.586 103 HG3 ARG 14 HG1 ARG 14 42.811 11.877 -4.099 104 HD2 ARG 14 HD2 ARG 14 41.578 13.858 -4.112 105 HD3 ARG 14 HD1 ARG 14 42.876 14.795 -4.891 106 HE ARG 14 HE ARG 14 41.759 12.778 -6.668 107 HH11 ARG 14 HH11 ARG 14 39.243 13.973 -6.147 108 HH12 ARG 14 HH12 ARG 14 39.226 15.429 -7.085 109 HH21 ARG 14 HH21 ARG 14 42.665 15.503 -7.521 110 HH22 ARG 14 HH22 ARG 14 41.163 16.295 -7.862 111 H PHE 15 HN PHE 15 45.637 12.365 -0.696 112 HA PHE 15 HA PHE 15 44.765 9.726 -0.621 113 HB2 PHE 15 HB2 PHE 15 46.753 10.594 0.568 114 HB3 PHE 15 HB1 PHE 15 45.689 11.383 1.757 115 HD1 PHE 15 HD1 PHE 15 46.460 8.032 0.224 116 HD2 PHE 15 HD2 PHE 15 44.918 10.165 3.648 117 HE1 PHE 15 HE1 PHE 15 46.317 5.893 1.494 118 HE2 PHE 15 HE2 PHE 15 44.775 8.025 4.916 119 HZ PHE 15 HZ PHE 15 45.526 5.898 3.857 120 H ILE 16 HN ILE 16 43.635 12.333 1.621 121 HA ILE 16 HA ILE 16 41.611 10.591 2.742 122 HB ILE 16 HB ILE 16 42.524 12.442 4.049 123 HG12 ILE 16 HG12 ILE 16 39.574 13.040 3.526 124 HG13 ILE 16 HG11 ILE 16 40.113 11.543 4.313 125 HG21 ILE 16 HG21 ILE 16 40.977 14.507 2.461 126 HG22 ILE 16 HG22 ILE 16 42.562 13.981 1.855 127 HG23 ILE 16 HG23 ILE 16 42.424 14.702 3.471 128 HD11 ILE 16 HD1 ILE 16 41.040 14.253 5.322 129 HD12 ILE 16 HD2 ILE 16 41.021 12.693 6.175 130 HD13 ILE 16 HD3 ILE 16 39.495 13.546 5.844 131 H HIS 17 HN HIS 17 41.030 13.695 0.905 132 HA HIS 17 HA HIS 17 39.209 12.290 -0.904 133 HB2 HIS 17 HB2 HIS 17 37.882 12.351 1.241 134 HB3 HIS 17 HB1 HIS 17 37.910 14.125 1.143 135 HD1 HIS 17 HD1 HIS 17 36.526 15.275 -0.743 136 HD2 HIS 17 HD2 HIS 17 36.247 11.079 -0.723 137 HE1 HIS 17 HE1 HIS 17 34.589 14.634 -2.281 138 H GLY 18 HN GLY 18 41.433 14.350 -0.658 139 HA2 GLY 18 HA1 GLY 18 41.605 15.813 -2.759 140 HA3 GLY 18 HA2 GLY 18 40.142 16.626 -2.138 141 H MET 19 HN MET 19 40.490 16.635 0.434 142 HA MET 19 HA MET 19 42.754 17.214 1.704 143 HB2 MET 19 HB2 MET 19 42.392 19.372 -0.238 144 HB3 MET 19 HB1 MET 19 42.378 20.014 1.416 145 HG2 MET 19 HG2 MET 19 44.531 18.147 0.344 146 HG3 MET 19 HG1 MET 19 44.663 19.921 0.335 147 HE1 MET 19 HE1 MET 19 46.532 20.624 2.238 148 HE2 MET 19 HE2 MET 19 46.819 19.124 1.324 149 HE3 MET 19 HE3 MET 19 47.108 19.166 3.080 150 H ILE 20 HN ILE 20 41.340 16.184 3.056 151 HA ILE 20 HA ILE 20 39.816 16.198 4.819 152 HB ILE 20 HB ILE 20 39.772 19.250 4.772 153 HG12 ILE 20 HG12 ILE 20 41.925 17.430 5.959 154 HG13 ILE 20 HG11 ILE 20 42.152 18.631 4.669 155 HG21 ILE 20 HG21 ILE 20 39.792 17.358 7.162 156 HG22 ILE 20 HG22 ILE 20 38.287 17.770 6.313 157 HG23 ILE 20 HG23 ILE 20 39.243 19.048 7.091 158 HD11 ILE 20 HD1 ILE 20 41.551 19.112 7.604 159 HD12 ILE 20 HD2 ILE 20 41.262 20.370 6.377 160 HD13 ILE 20 HD3 ILE 20 42.904 19.733 6.633 161 H GLN 21 HN GLN 21 39.494 16.683 1.886 162 HA GLN 21 HA GLN 21 37.520 16.365 0.566 163 HB2 GLN 21 HB2 GLN 21 36.106 16.312 2.801 164 HB3 GLN 21 HB1 GLN 21 35.860 18.047 2.492 165 HG2 GLN 21 HG2 GLN 21 35.099 17.386 0.134 166 HG3 GLN 21 HG1 GLN 21 35.074 15.704 0.715 167 HE21 GLN 21 HE21 GLN 21 32.665 15.796 0.308 168 HE22 GLN 21 HE22 GLN 21 31.641 16.551 1.534 169 H ASN 22 HN ASN 22 39.660 18.166 0.823 170 HA ASN 22 HA ASN 22 40.374 20.270 0.221 171 HB2 ASN 22 HB2 ASN 22 39.509 21.004 -1.995 172 HB3 ASN 22 HB1 ASN 22 40.001 19.285 -1.923 173 HD21 ASN 22 HD21 ASN 22 38.322 17.638 -2.004 174 HD22 ASN 22 HD22 ASN 22 36.664 18.046 -2.458 175 H HIS 23 HN HIS 23 39.031 20.491 2.373 176 HA HIS 23 HA HIS 23 37.793 21.986 3.663 177 HB2 HIS 23 HB2 HIS 23 38.165 23.931 1.359 178 HB3 HIS 23 HB1 HIS 23 37.929 24.315 3.081 179 HD1 HIS 23 HD1 HIS 23 39.887 23.203 4.727 180 HD2 HIS 23 HD2 HIS 23 40.837 23.888 0.688 181 HE1 HIS 23 HE1 HIS 23 42.436 23.167 4.527 182 H HIS 24 HN HIS 24 35.946 23.880 3.309 183 HA HIS 24 HA HIS 24 34.017 23.240 1.235 184 HB2 HIS 24 HB2 HIS 24 32.277 22.273 2.684 185 HB3 HIS 24 HB1 HIS 24 33.721 21.232 2.648 186 HD1 HIS 24 HD1 HIS 24 35.585 22.305 4.669 187 HD2 HIS 24 HD2 HIS 24 31.428 22.440 5.295 188 HE1 HIS 24 HE1 HIS 24 35.199 22.495 7.188
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