NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
649971 | 6rzc | 34413 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 65.840 22.763 2.433 2 H2 GLY 1 HT2 GLY 1 66.139 21.883 1.010 3 H3 GLY 1 HT3 GLY 1 67.433 22.390 1.988 4 HA2 GLY 1 HA1 GLY 1 67.380 20.477 2.985 5 HA3 GLY 1 HA2 GLY 1 65.819 20.986 3.660 6 H TRP 2 HN TRP 2 64.123 19.741 3.267 7 HA TRP 2 HA TRP 2 64.399 17.434 1.521 8 HB2 TRP 2 HB2 TRP 2 62.009 18.612 2.991 9 HB3 TRP 2 HB1 TRP 2 61.987 17.061 2.119 10 HD1 TRP 2 HD1 TRP 2 63.157 18.692 5.316 11 HE1 TRP 2 HE1 TRP 2 64.221 16.922 6.896 12 HE3 TRP 2 HE3 TRP 2 63.391 14.743 2.064 13 HZ2 TRP 2 HZ2 TRP 2 65.051 14.168 6.738 14 HZ3 TRP 2 HZ3 TRP 2 64.323 12.554 2.800 15 HH2 TRP 2 HH2 TRP 2 65.153 12.264 5.132 16 H GLY 3 HN GLY 3 64.473 17.694 -0.622 17 HA2 GLY 3 HA1 GLY 3 62.962 19.835 -1.945 18 HA3 GLY 3 HA2 GLY 3 64.004 18.624 -2.716 19 H SER 4 HN SER 4 61.816 17.222 -0.539 20 HA SER 4 HA SER 4 60.521 15.605 -2.411 21 HB2 SER 4 HB2 SER 4 58.709 15.376 -0.679 22 HB3 SER 4 HB1 SER 4 60.354 15.162 -0.039 23 HG SER 4 HG SER 4 59.188 16.565 1.288 24 H ILE 5 HN ILE 5 59.503 16.232 -4.202 25 HA ILE 5 HA ILE 5 58.065 18.770 -4.347 26 HB ILE 5 HB ILE 5 57.296 17.768 -6.622 27 HG12 ILE 5 HG12 ILE 5 59.468 15.730 -5.939 28 HG13 ILE 5 HG11 ILE 5 57.734 15.374 -5.802 29 HG21 ILE 5 HG21 ILE 5 60.299 17.941 -6.103 30 HG22 ILE 5 HG22 ILE 5 59.230 19.351 -6.294 31 HG23 ILE 5 HG23 ILE 5 59.464 18.224 -7.648 32 HD11 ILE 5 HD1 ILE 5 59.355 15.972 -8.298 33 HD12 ILE 5 HD2 ILE 5 57.586 16.172 -8.288 34 HD13 ILE 5 HD3 ILE 5 58.305 14.580 -7.960 35 H PHE 6 HN PHE 6 56.737 18.207 -2.387 36 HA PHE 6 HA PHE 6 54.685 17.641 -1.476 37 HB2 PHE 6 HB2 PHE 6 53.784 17.533 -4.382 38 HB3 PHE 6 HB1 PHE 6 52.739 17.714 -2.954 39 HD1 PHE 6 HD1 PHE 6 55.181 19.378 -5.172 40 HD2 PHE 6 HD2 PHE 6 52.738 19.800 -1.639 41 HE1 PHE 6 HE1 PHE 6 55.535 21.843 -5.222 42 HE2 PHE 6 HE2 PHE 6 53.091 22.266 -1.689 43 HZ PHE 6 HZ PHE 6 54.432 23.293 -3.521 44 H LYS 7 HN LYS 7 56.580 15.518 -2.989 45 HA LYS 7 HA LYS 7 54.857 13.281 -3.515 46 HB2 LYS 7 HB2 LYS 7 57.317 13.585 -4.185 47 HB3 LYS 7 HB1 LYS 7 57.724 13.131 -2.516 48 HG2 LYS 7 HG2 LYS 7 57.812 11.034 -3.559 49 HG3 LYS 7 HG1 LYS 7 56.125 11.048 -3.004 50 HD2 LYS 7 HD2 LYS 7 55.374 11.783 -5.237 51 HD3 LYS 7 HD1 LYS 7 57.061 11.873 -5.795 52 HE2 LYS 7 HE2 LYS 7 55.911 9.749 -6.481 53 HE3 LYS 7 HE1 LYS 7 57.345 9.468 -5.464 54 HZ1 LYS 7 HZ1 LYS 7 54.660 9.726 -4.252 55 HZ2 LYS 7 HZ2 LYS 7 56.045 8.959 -3.635 56 HZ3 LYS 7 HZ3 LYS 7 55.169 8.247 -4.904 57 H HIS 8 HN HIS 8 57.089 13.773 -0.738 58 HA HIS 8 HA HIS 8 55.457 11.884 0.880 59 HB2 HIS 8 HB2 HIS 8 58.053 13.374 1.441 60 HB3 HIS 8 HB1 HIS 8 57.279 12.223 2.557 61 HD1 HIS 8 HD1 HIS 8 59.997 12.203 0.398 62 HD2 HIS 8 HD2 HIS 8 56.632 9.701 0.708 63 HE1 HIS 8 HE1 HIS 8 60.578 9.999 -0.760 64 H GLY 9 HN GLY 9 53.881 14.003 0.299 65 HA2 GLY 9 HA1 GLY 9 53.258 15.020 2.920 66 HA3 GLY 9 HA2 GLY 9 54.030 16.281 1.940 67 H ARG 10 HN ARG 10 52.294 13.929 0.146 68 HA ARG 10 HA ARG 10 49.661 15.095 0.336 69 HB2 ARG 10 HB2 ARG 10 51.056 16.935 -0.834 70 HB3 ARG 10 HB1 ARG 10 51.138 15.827 -2.222 71 HG2 ARG 10 HG2 ARG 10 48.700 15.790 -2.400 72 HG3 ARG 10 HG1 ARG 10 48.538 16.748 -0.909 73 HD2 ARG 10 HD2 ARG 10 49.542 18.678 -1.940 74 HD3 ARG 10 HD1 ARG 10 50.044 17.735 -3.363 75 HE ARG 10 HE ARG 10 47.259 17.469 -3.262 76 HH11 ARG 10 HH11 ARG 10 48.162 18.647 -5.668 77 HH12 ARG 10 HH12 ARG 10 47.748 20.324 -5.544 78 HH21 ARG 10 HH21 ARG 10 47.322 20.236 -2.102 79 HH22 ARG 10 HH22 ARG 10 47.272 21.225 -3.524 80 H HIS 11 HN HIS 11 51.876 12.813 -0.549 81 HA HIS 11 HA HIS 11 49.775 11.126 -1.734 82 HB2 HIS 11 HB2 HIS 11 50.808 12.393 -3.698 83 HB3 HIS 11 HB1 HIS 11 52.342 11.580 -3.307 84 HD1 HIS 11 HD1 HIS 11 48.903 10.992 -4.733 85 HD2 HIS 11 HD2 HIS 11 52.397 8.802 -3.924 86 HE1 HIS 11 HE1 HIS 11 48.638 8.703 -5.832 87 H ALA 12 HN ALA 12 50.048 9.094 -1.596 88 HA ALA 12 HA ALA 12 50.795 7.070 -0.846 89 HB1 ALA 12 HB1 ALA 12 52.983 7.945 -1.787 90 HB2 ALA 12 HB2 ALA 12 53.086 6.741 -0.479 91 HB3 ALA 12 HB3 ALA 12 53.248 8.463 -0.131 92 H ALA 13 HN ALA 13 51.662 10.047 0.833 93 HA ALA 13 HA ALA 13 51.558 8.830 3.493 94 HB1 ALA 13 HB1 ALA 13 51.062 11.630 2.346 95 HB2 ALA 13 HB2 ALA 13 52.340 11.134 3.482 96 HB3 ALA 13 HB3 ALA 13 50.649 11.231 4.030 97 H LYS 14 HN LYS 14 50.333 8.796 0.552 98 HA LYS 14 HA LYS 14 47.343 8.486 1.421 99 HB2 LYS 14 HB2 LYS 14 48.221 10.185 -0.369 100 HB3 LYS 14 HB1 LYS 14 48.622 8.711 -1.327 101 HG2 LYS 14 HG2 LYS 14 46.392 8.360 -1.889 102 HG3 LYS 14 HG1 LYS 14 45.789 8.817 -0.281 103 HD2 LYS 14 HD2 LYS 14 45.976 11.184 -0.825 104 HD3 LYS 14 HD1 LYS 14 46.774 10.806 -2.371 105 HE2 LYS 14 HE2 LYS 14 44.732 9.600 -3.119 106 HE3 LYS 14 HE1 LYS 14 43.933 10.018 -1.584 107 HZ1 LYS 14 HZ1 LYS 14 43.248 11.784 -2.776 108 HZ2 LYS 14 HZ2 LYS 14 44.523 11.687 -3.897 109 HZ3 LYS 14 HZ3 LYS 14 44.773 12.416 -2.382 110 H HIS 15 HN HIS 15 46.403 7.145 -0.638 111 HA HIS 15 HA HIS 15 45.951 4.880 -1.083 112 HB2 HIS 15 HB2 HIS 15 48.691 5.372 -2.305 113 HB3 HIS 15 HB1 HIS 15 47.601 4.036 -2.749 114 HD1 HIS 15 HD1 HIS 15 44.970 5.960 -2.371 115 HD2 HIS 15 HD2 HIS 15 48.267 6.542 -4.915 116 HE1 HIS 15 HE1 HIS 15 44.222 7.535 -4.238 117 H ILE 16 HN ILE 16 47.516 5.377 1.469 118 HA ILE 16 HA ILE 16 47.733 2.878 2.365 119 HB ILE 16 HB ILE 16 49.513 2.138 0.969 120 HG12 ILE 16 HG12 ILE 16 51.197 3.087 3.308 121 HG13 ILE 16 HG11 ILE 16 49.843 1.988 3.628 122 HG21 ILE 16 HG21 ILE 16 50.239 4.268 -0.024 123 HG22 ILE 16 HG22 ILE 16 51.651 3.538 0.760 124 HG23 ILE 16 HG23 ILE 16 50.783 4.847 1.560 125 HD11 ILE 16 HD1 ILE 16 50.771 0.391 1.934 126 HD12 ILE 16 HD2 ILE 16 51.885 0.685 3.290 127 HD13 ILE 16 HD3 ILE 16 52.170 1.471 1.721 128 H GLY 17 HN GLY 17 49.374 5.756 2.303 129 HA2 GLY 17 HA1 GLY 17 49.696 5.860 5.216 130 HA3 GLY 17 HA2 GLY 17 49.953 7.202 4.082 131 H HIS 18 HN HIS 18 47.322 6.140 2.782 132 HA HIS 18 HA HIS 18 45.535 7.900 4.421 133 HB2 HIS 18 HB2 HIS 18 45.634 6.900 1.620 134 HB3 HIS 18 HB1 HIS 18 44.000 6.853 2.308 135 HD1 HIS 18 HD1 HIS 18 43.246 8.803 0.733 136 HD2 HIS 18 HD2 HIS 18 46.395 9.823 3.325 137 HE1 HIS 18 HE1 HIS 18 43.434 11.351 0.739 138 H ALA 19 HN ALA 19 45.722 4.456 3.266 139 HA ALA 19 HA ALA 19 44.413 3.589 5.729 140 HB1 ALA 19 HB1 ALA 19 42.277 2.913 4.896 141 HB2 ALA 19 HB2 ALA 19 42.722 3.350 3.227 142 HB3 ALA 19 HB3 ALA 19 42.493 4.621 4.452 143 H ALA 20 HN ALA 20 46.767 2.819 4.174 144 HA ALA 20 HA ALA 20 47.803 0.847 3.503 145 HB1 ALA 20 HB1 ALA 20 46.647 0.106 5.661 146 HB2 ALA 20 HB2 ALA 20 47.112 -1.175 4.516 147 HB3 ALA 20 HB3 ALA 20 45.417 -0.644 4.618 148 H VAL 21 HN VAL 21 44.867 1.867 2.228 149 HA VAL 21 HA VAL 21 45.281 0.189 -0.183 150 HB VAL 21 HB VAL 21 42.579 0.272 1.245 151 HG11 VAL 21 HG11 VAL 21 41.999 -1.404 -0.569 152 HG12 VAL 21 HG12 VAL 21 43.555 -1.017 -1.341 153 HG13 VAL 21 HG13 VAL 21 42.308 0.241 -1.170 154 HG21 VAL 21 HG21 VAL 21 42.984 -2.246 1.391 155 HG22 VAL 21 HG22 VAL 21 44.026 -1.259 2.439 156 HG23 VAL 21 HG23 VAL 21 44.669 -1.926 0.919 157 H ASN 22 HN ASN 22 43.790 2.811 1.580 158 HA ASN 22 HA ASN 22 44.007 5.016 0.265 159 HB2 ASN 22 HB2 ASN 22 43.708 4.206 -1.995 160 HB3 ASN 22 HB1 ASN 22 42.153 3.441 -1.578 161 HD21 ASN 22 HD21 ASN 22 41.244 4.819 -3.389 162 HD22 ASN 22 HD22 ASN 22 40.858 6.507 -3.037 163 H HIS 23 HN HIS 23 41.352 2.760 0.955 164 HA HIS 23 HA HIS 23 40.186 4.760 2.811 165 HB2 HIS 23 HB2 HIS 23 38.564 3.592 0.510 166 HB3 HIS 23 HB1 HIS 23 37.947 4.638 1.812 167 HD1 HIS 23 HD1 HIS 23 39.673 6.961 2.033 168 HD2 HIS 23 HD2 HIS 23 39.145 5.113 -1.707 169 HE1 HIS 23 HE1 HIS 23 40.245 8.690 0.242 170 H TYR 24 HN TYR 24 37.651 2.889 2.269 171 HA TYR 24 HA TYR 24 36.748 1.086 3.412 172 HB2 TYR 24 HB2 TYR 24 38.371 -0.086 1.845 173 HB3 TYR 24 HB1 TYR 24 39.524 -0.141 3.199 174 HD1 TYR 24 HD1 TYR 24 36.049 -1.127 2.175 175 HD2 TYR 24 HD2 TYR 24 39.333 -1.822 4.889 176 HE1 TYR 24 HE1 TYR 24 34.891 -3.146 3.060 177 HE2 TYR 24 HE2 TYR 24 38.175 -3.842 5.773 178 HH TYR 24 HH TYR 24 35.674 -4.457 6.008 179 H LEU 25 HN LEU 25 38.597 3.224 4.786 180 HA LEU 25 HA LEU 25 39.299 3.677 6.941 181 HB2 LEU 25 HB2 LEU 25 36.967 3.369 7.493 182 HB3 LEU 25 HB1 LEU 25 37.139 1.601 7.482 183 HG LEU 25 HG LEU 25 38.519 1.647 9.478 184 HD11 LEU 25 HD11 LEU 25 38.525 4.654 9.006 185 HD12 LEU 25 HD12 LEU 25 39.915 3.559 9.209 186 HD13 LEU 25 HD13 LEU 25 38.890 3.963 10.605 187 HD21 LEU 25 HD21 LEU 25 36.934 2.575 11.090 188 HD22 LEU 25 HD22 LEU 25 36.027 1.860 9.734 189 HD23 LEU 25 HD23 LEU 25 36.225 3.626 9.840 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 69.403 18.776 -5.437 2 H2 GLY 1 HT2 GLY 1 68.224 17.815 -4.679 3 H3 GLY 1 HT3 GLY 1 68.032 19.502 -4.756 4 HA2 GLY 1 HA1 GLY 1 67.469 19.518 -6.919 5 HA3 GLY 1 HA2 GLY 1 68.324 17.994 -7.226 6 H TRP 2 HN TRP 2 65.423 19.485 -5.864 7 HA TRP 2 HA TRP 2 63.868 17.086 -6.584 8 HB2 TRP 2 HB2 TRP 2 64.102 17.989 -3.684 9 HB3 TRP 2 HB1 TRP 2 62.912 16.817 -4.300 10 HD1 TRP 2 HD1 TRP 2 64.140 14.678 -5.717 11 HE1 TRP 2 HE1 TRP 2 66.206 13.275 -4.995 12 HE3 TRP 2 HE3 TRP 2 66.199 17.947 -2.359 13 HZ2 TRP 2 HZ2 TRP 2 68.437 13.564 -3.195 14 HZ3 TRP 2 HZ3 TRP 2 68.296 17.362 -1.150 15 HH2 TRP 2 HH2 TRP 2 69.416 15.176 -1.564 16 H GLY 3 HN GLY 3 63.677 19.978 -4.446 17 HA2 GLY 3 HA1 GLY 3 62.205 21.760 -4.485 18 HA3 GLY 3 HA2 GLY 3 61.936 21.414 -6.205 19 H SER 4 HN SER 4 61.346 18.753 -4.133 20 HA SER 4 HA SER 4 58.645 18.463 -4.880 21 HB2 SER 4 HB2 SER 4 58.489 16.810 -3.147 22 HB3 SER 4 HB1 SER 4 60.154 16.747 -3.767 23 HG SER 4 HG SER 4 60.765 17.204 -1.816 24 H ILE 5 HN ILE 5 57.083 19.927 -4.622 25 HA ILE 5 HA ILE 5 57.092 21.818 -2.413 26 HB ILE 5 HB ILE 5 54.702 21.155 -4.183 27 HG12 ILE 5 HG12 ILE 5 57.121 22.917 -4.793 28 HG13 ILE 5 HG11 ILE 5 56.657 21.429 -5.649 29 HG21 ILE 5 HG21 ILE 5 55.630 23.841 -3.089 30 HG22 ILE 5 HG22 ILE 5 54.580 22.754 -2.152 31 HG23 ILE 5 HG23 ILE 5 54.024 23.396 -3.714 32 HD11 ILE 5 HD1 ILE 5 54.397 22.618 -6.116 33 HD12 ILE 5 HD2 ILE 5 55.823 23.186 -7.017 34 HD13 ILE 5 HD3 ILE 5 55.231 24.110 -5.618 35 H PHE 6 HN PHE 6 55.311 18.834 -3.209 36 HA PHE 6 HA PHE 6 54.766 18.382 -0.356 37 HB2 PHE 6 HB2 PHE 6 52.511 18.991 -2.309 38 HB3 PHE 6 HB1 PHE 6 52.269 18.142 -0.765 39 HD1 PHE 6 HD1 PHE 6 53.425 19.331 1.345 40 HD2 PHE 6 HD2 PHE 6 52.279 21.346 -2.300 41 HE1 PHE 6 HE1 PHE 6 53.366 21.503 2.561 42 HE2 PHE 6 HE2 PHE 6 52.220 23.516 -1.079 43 HZ PHE 6 HZ PHE 6 52.830 23.604 1.334 44 H LYS 7 HN LYS 7 55.145 17.463 -3.605 45 HA LYS 7 HA LYS 7 53.842 14.984 -3.802 46 HB2 LYS 7 HB2 LYS 7 55.187 16.107 -5.599 47 HB3 LYS 7 HB1 LYS 7 56.667 15.594 -4.755 48 HG2 LYS 7 HG2 LYS 7 56.055 13.243 -5.001 49 HG3 LYS 7 HG1 LYS 7 54.484 13.691 -5.710 50 HD2 LYS 7 HD2 LYS 7 55.621 14.749 -7.620 51 HD3 LYS 7 HD1 LYS 7 57.207 14.374 -6.904 52 HE2 LYS 7 HE2 LYS 7 55.104 12.325 -7.734 53 HE3 LYS 7 HE1 LYS 7 56.595 12.705 -8.631 54 HZ1 LYS 7 HZ1 LYS 7 57.630 11.231 -7.362 55 HZ2 LYS 7 HZ2 LYS 7 56.241 10.978 -6.416 56 HZ3 LYS 7 HZ3 LYS 7 57.341 12.205 -6.004 57 H HIS 8 HN HIS 8 56.447 15.943 -1.726 58 HA HIS 8 HA HIS 8 57.516 13.280 -1.262 59 HB2 HIS 8 HB2 HIS 8 58.740 15.444 -0.831 60 HB3 HIS 8 HB1 HIS 8 57.657 15.717 0.555 61 HD1 HIS 8 HD1 HIS 8 58.394 14.747 2.734 62 HD2 HIS 8 HD2 HIS 8 60.250 12.880 -0.544 63 HE1 HIS 8 HE1 HIS 8 60.048 13.038 3.667 64 H GLY 9 HN GLY 9 54.493 14.197 -0.826 65 HA2 GLY 9 HA1 GLY 9 53.891 12.191 1.106 66 HA3 GLY 9 HA2 GLY 9 53.905 13.765 1.924 67 H ARG 10 HN ARG 10 53.028 13.467 -1.458 68 HA ARG 10 HA ARG 10 50.213 14.248 -0.736 69 HB2 ARG 10 HB2 ARG 10 51.789 15.654 -2.302 70 HB3 ARG 10 HB1 ARG 10 51.448 14.397 -3.508 71 HG2 ARG 10 HG2 ARG 10 49.677 15.824 -4.005 72 HG3 ARG 10 HG1 ARG 10 48.889 14.882 -2.721 73 HD2 ARG 10 HD2 ARG 10 50.021 17.688 -2.618 74 HD3 ARG 10 HD1 ARG 10 48.463 17.078 -2.009 75 HE ARG 10 HE ARG 10 50.799 15.969 -0.617 76 HH11 ARG 10 HH11 ARG 10 47.874 17.587 -0.350 77 HH12 ARG 10 HH12 ARG 10 48.287 18.464 1.086 78 HH21 ARG 10 HH21 ARG 10 51.617 17.503 1.036 79 HH22 ARG 10 HH22 ARG 10 50.405 18.417 1.869 80 H HIS 11 HN HIS 11 52.001 11.567 -1.433 81 HA HIS 11 HA HIS 11 49.585 10.079 -2.228 82 HB2 HIS 11 HB2 HIS 11 50.774 8.970 -4.152 83 HB3 HIS 11 HB1 HIS 11 50.390 10.682 -4.446 84 HD1 HIS 11 HD1 HIS 11 53.314 8.555 -3.130 85 HD2 HIS 11 HD2 HIS 11 52.607 12.184 -5.136 86 HE1 HIS 11 HE1 HIS 11 55.589 9.525 -3.775 87 H ALA 12 HN ALA 12 49.577 8.063 -1.825 88 HA ALA 12 HA ALA 12 50.061 6.079 -0.813 89 HB1 ALA 12 HB1 ALA 12 52.297 5.459 -0.487 90 HB2 ALA 12 HB2 ALA 12 52.727 7.166 -0.394 91 HB3 ALA 12 HB3 ALA 12 52.289 6.463 -1.953 92 H ALA 13 HN ALA 13 51.433 9.102 0.388 93 HA ALA 13 HA ALA 13 51.300 8.276 3.198 94 HB1 ALA 13 HB1 ALA 13 50.848 10.805 3.488 95 HB2 ALA 13 HB2 ALA 13 51.062 10.966 1.728 96 HB3 ALA 13 HB3 ALA 13 52.419 10.426 2.745 97 H LYS 14 HN LYS 14 49.931 8.018 0.340 98 HA LYS 14 HA LYS 14 46.978 8.268 1.344 99 HB2 LYS 14 HB2 LYS 14 47.985 9.584 -0.684 100 HB3 LYS 14 HB1 LYS 14 48.134 7.958 -1.450 101 HG2 LYS 14 HG2 LYS 14 45.854 7.867 -1.901 102 HG3 LYS 14 HG1 LYS 14 45.396 8.570 -0.334 103 HD2 LYS 14 HD2 LYS 14 46.029 10.830 -1.197 104 HD3 LYS 14 HD1 LYS 14 46.401 10.097 -2.776 105 HE2 LYS 14 HE2 LYS 14 43.695 10.069 -1.368 106 HE3 LYS 14 HE1 LYS 14 44.125 11.028 -2.805 107 HZ1 LYS 14 HZ1 LYS 14 43.382 9.273 -3.940 108 HZ2 LYS 14 HZ2 LYS 14 43.424 8.241 -2.592 109 HZ3 LYS 14 HZ3 LYS 14 44.831 8.506 -3.506 110 H HIS 15 HN HIS 15 45.766 6.798 -0.514 111 HA HIS 15 HA HIS 15 45.022 4.578 -0.662 112 HB2 HIS 15 HB2 HIS 15 47.798 4.355 -1.875 113 HB3 HIS 15 HB1 HIS 15 46.379 3.351 -2.259 114 HD1 HIS 15 HD1 HIS 15 44.137 5.051 -2.885 115 HD2 HIS 15 HD2 HIS 15 48.035 6.411 -3.690 116 HE1 HIS 15 HE1 HIS 15 43.954 6.883 -4.656 117 H ILE 16 HN ILE 16 46.736 5.217 1.794 118 HA ILE 16 HA ILE 16 46.610 2.855 3.042 119 HB ILE 16 HB ILE 16 48.225 1.691 1.742 120 HG12 ILE 16 HG12 ILE 16 50.091 2.716 3.906 121 HG13 ILE 16 HG11 ILE 16 48.621 1.851 4.386 122 HG21 ILE 16 HG21 ILE 16 49.864 4.254 1.930 123 HG22 ILE 16 HG22 ILE 16 49.202 3.542 0.448 124 HG23 ILE 16 HG23 ILE 16 50.527 2.742 1.312 125 HD11 ILE 16 HD1 ILE 16 50.445 0.249 4.213 126 HD12 ILE 16 HD2 ILE 16 50.836 0.800 2.570 127 HD13 ILE 16 HD3 ILE 16 49.306 -0.054 2.882 128 H GLY 17 HN GLY 17 48.588 5.466 2.545 129 HA2 GLY 17 HA1 GLY 17 49.035 5.918 5.413 130 HA3 GLY 17 HA2 GLY 17 49.438 7.037 4.095 131 H HIS 18 HN HIS 18 46.616 6.168 3.023 132 HA HIS 18 HA HIS 18 45.162 8.373 4.468 133 HB2 HIS 18 HB2 HIS 18 45.014 7.079 1.779 134 HB3 HIS 18 HB1 HIS 18 43.430 7.439 2.491 135 HD1 HIS 18 HD1 HIS 18 43.038 9.321 0.704 136 HD2 HIS 18 HD2 HIS 18 46.370 9.964 3.188 137 HE1 HIS 18 HE1 HIS 18 43.728 11.766 0.436 138 H ALA 19 HN ALA 19 44.867 4.837 3.707 139 HA ALA 19 HA ALA 19 43.416 4.439 6.211 140 HB1 ALA 19 HB1 ALA 19 41.742 4.098 3.711 141 HB2 ALA 19 HB2 ALA 19 41.685 5.568 4.716 142 HB3 ALA 19 HB3 ALA 19 41.221 3.996 5.410 143 H ALA 20 HN ALA 20 45.670 3.195 4.990 144 HA ALA 20 HA ALA 20 46.454 1.038 4.685 145 HB1 ALA 20 HB1 ALA 20 43.704 -0.119 5.167 146 HB2 ALA 20 HB2 ALA 20 44.612 0.624 6.504 147 HB3 ALA 20 HB3 ALA 20 45.298 -0.763 5.625 148 H VAL 21 HN VAL 21 43.719 2.282 2.947 149 HA VAL 21 HA VAL 21 44.584 0.736 0.556 150 HB VAL 21 HB VAL 21 41.649 0.816 1.380 151 HG11 VAL 21 HG11 VAL 21 41.454 -0.865 -0.449 152 HG12 VAL 21 HG12 VAL 21 43.193 -0.685 -0.783 153 HG13 VAL 21 HG13 VAL 21 42.089 0.687 -1.044 154 HG21 VAL 21 HG21 VAL 21 41.975 -1.669 1.759 155 HG22 VAL 21 HG22 VAL 21 42.791 -0.639 2.958 156 HG23 VAL 21 HG23 VAL 21 43.730 -1.398 1.650 157 H ASN 22 HN ASN 22 42.651 3.268 2.088 158 HA ASN 22 HA ASN 22 43.253 5.451 0.618 159 HB2 ASN 22 HB2 ASN 22 42.828 4.665 -1.567 160 HB3 ASN 22 HB1 ASN 22 41.414 3.714 -1.059 161 HD21 ASN 22 HD21 ASN 22 39.350 4.826 -0.836 162 HD22 ASN 22 HD22 ASN 22 39.131 6.467 -1.452 163 H HIS 23 HN HIS 23 40.377 3.505 1.445 164 HA HIS 23 HA HIS 23 39.527 5.544 3.376 165 HB2 HIS 23 HB2 HIS 23 38.671 6.447 1.188 166 HB3 HIS 23 HB1 HIS 23 37.717 4.956 0.999 167 HD1 HIS 23 HD1 HIS 23 35.411 5.043 1.935 168 HD2 HIS 23 HD2 HIS 23 38.001 7.715 3.894 169 HE1 HIS 23 HE1 HIS 23 34.015 6.358 3.623 170 H TYR 24 HN TYR 24 40.330 2.923 3.724 171 HA TYR 24 HA TYR 24 38.148 1.046 3.670 172 HB2 TYR 24 HB2 TYR 24 40.557 0.424 3.846 173 HB3 TYR 24 HB1 TYR 24 40.581 1.087 5.498 174 HD1 TYR 24 HD1 TYR 24 38.995 -1.493 3.298 175 HD2 TYR 24 HD2 TYR 24 39.689 -0.164 7.346 176 HE1 TYR 24 HE1 TYR 24 38.079 -3.643 4.163 177 HE2 TYR 24 HE2 TYR 24 38.772 -2.314 8.209 178 HH TYR 24 HH TYR 24 37.640 -4.196 7.645 179 H LEU 25 HN LEU 25 38.908 3.716 5.731 180 HA LEU 25 HA LEU 25 36.463 3.340 7.229 181 HB2 LEU 25 HB2 LEU 25 37.751 1.647 8.421 182 HB3 LEU 25 HB1 LEU 25 39.100 2.780 8.647 183 HG LEU 25 HG LEU 25 37.726 4.201 10.099 184 HD11 LEU 25 HD11 LEU 25 35.518 4.084 9.238 185 HD12 LEU 25 HD12 LEU 25 35.401 3.195 10.772 186 HD13 LEU 25 HD13 LEU 25 35.511 2.303 9.234 187 HD21 LEU 25 HD21 LEU 25 37.436 2.646 11.971 188 HD22 LEU 25 HD22 LEU 25 38.899 2.207 11.057 189 HD23 LEU 25 HD23 LEU 25 37.403 1.262 10.852 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 58.547 15.028 6.807 2 H2 GLY 1 HT2 GLY 1 57.912 13.537 6.292 3 H3 GLY 1 HT3 GLY 1 56.937 14.929 6.288 4 HA2 GLY 1 HA1 GLY 1 57.818 14.167 4.098 5 HA3 GLY 1 HA2 GLY 1 58.028 15.876 4.527 6 H TRP 2 HN TRP 2 59.782 16.058 3.080 7 HA TRP 2 HA TRP 2 62.340 15.457 4.336 8 HB2 TRP 2 HB2 TRP 2 61.767 13.244 3.286 9 HB3 TRP 2 HB1 TRP 2 61.737 14.055 1.702 10 HD1 TRP 2 HD1 TRP 2 64.212 14.044 4.703 11 HE1 TRP 2 HE1 TRP 2 66.634 13.783 3.791 12 HE3 TRP 2 HE3 TRP 2 63.165 13.787 -0.301 13 HZ2 TRP 2 HZ2 TRP 2 67.909 13.503 1.224 14 HZ3 TRP 2 HZ3 TRP 2 64.998 13.522 -1.964 15 HH2 TRP 2 HH2 TRP 2 67.368 13.380 -1.207 16 H GLY 3 HN GLY 3 61.371 15.673 0.890 17 HA2 GLY 3 HA1 GLY 3 61.747 18.460 0.590 18 HA3 GLY 3 HA2 GLY 3 63.322 17.688 0.314 19 H SER 4 HN SER 4 61.175 15.372 -0.516 20 HA SER 4 HA SER 4 61.719 15.478 -3.285 21 HB2 SER 4 HB2 SER 4 60.866 13.477 -2.093 22 HB3 SER 4 HB1 SER 4 59.286 14.270 -1.910 23 HG SER 4 HG SER 4 59.285 14.433 -4.247 24 H ILE 5 HN ILE 5 59.935 15.576 -5.013 25 HA ILE 5 HA ILE 5 58.865 18.294 -4.951 26 HB ILE 5 HB ILE 5 58.255 16.113 -6.988 27 HG12 ILE 5 HG12 ILE 5 60.643 16.130 -6.864 28 HG13 ILE 5 HG11 ILE 5 60.242 17.143 -8.262 29 HG21 ILE 5 HG21 ILE 5 58.109 19.151 -6.979 30 HG22 ILE 5 HG22 ILE 5 56.850 17.972 -7.390 31 HG23 ILE 5 HG23 ILE 5 58.212 18.233 -8.498 32 HD11 ILE 5 HD1 ILE 5 61.143 18.023 -5.493 33 HD12 ILE 5 HD2 ILE 5 60.398 19.156 -6.646 34 HD13 ILE 5 HD3 ILE 5 61.922 18.342 -7.057 35 H PHE 6 HN PHE 6 57.554 17.850 -2.950 36 HA PHE 6 HA PHE 6 55.502 17.435 -1.940 37 HB2 PHE 6 HB2 PHE 6 54.484 17.810 -4.786 38 HB3 PHE 6 HB1 PHE 6 53.518 17.946 -3.297 39 HD1 PHE 6 HD1 PHE 6 55.973 19.588 -5.480 40 HD2 PHE 6 HD2 PHE 6 53.982 19.776 -1.656 41 HE1 PHE 6 HE1 PHE 6 56.668 21.968 -5.236 42 HE2 PHE 6 HE2 PHE 6 54.676 22.158 -1.414 43 HZ PHE 6 HZ PHE 6 56.079 23.231 -3.171 44 H LYS 7 HN LYS 7 57.035 15.192 -3.461 45 HA LYS 7 HA LYS 7 55.017 13.315 -4.317 46 HB2 LYS 7 HB2 LYS 7 57.519 13.297 -4.870 47 HB3 LYS 7 HB1 LYS 7 57.779 12.650 -3.237 48 HG2 LYS 7 HG2 LYS 7 57.628 10.673 -4.505 49 HG3 LYS 7 HG1 LYS 7 55.959 10.857 -3.925 50 HD2 LYS 7 HD2 LYS 7 55.244 11.776 -6.057 51 HD3 LYS 7 HD1 LYS 7 56.923 11.900 -6.631 52 HE2 LYS 7 HE2 LYS 7 55.553 9.878 -7.462 53 HE3 LYS 7 HE1 LYS 7 57.163 9.538 -6.784 54 HZ1 LYS 7 HZ1 LYS 7 56.233 8.797 -4.787 55 HZ2 LYS 7 HZ2 LYS 7 55.234 8.118 -5.982 56 HZ3 LYS 7 HZ3 LYS 7 54.716 9.483 -5.111 57 H HIS 8 HN HIS 8 57.185 13.090 -1.461 58 HA HIS 8 HA HIS 8 55.301 11.279 -0.129 59 HB2 HIS 8 HB2 HIS 8 57.817 11.151 0.070 60 HB3 HIS 8 HB1 HIS 8 57.760 12.655 1.019 61 HD1 HIS 8 HD1 HIS 8 58.851 10.586 2.711 62 HD2 HIS 8 HD2 HIS 8 54.695 10.875 2.140 63 HE1 HIS 8 HE1 HIS 8 57.730 9.325 4.629 64 H GLY 9 HN GLY 9 53.482 12.888 -0.265 65 HA2 GLY 9 HA1 GLY 9 53.058 14.038 2.322 66 HA3 GLY 9 HA2 GLY 9 53.486 15.323 1.176 67 H ARG 10 HN ARG 10 52.293 14.635 -1.136 68 HA ARG 10 HA ARG 10 49.386 14.799 -0.407 69 HB2 ARG 10 HB2 ARG 10 50.694 15.360 -3.093 70 HB3 ARG 10 HB1 ARG 10 49.065 15.830 -2.550 71 HG2 ARG 10 HG2 ARG 10 50.100 17.249 -0.770 72 HG3 ARG 10 HG1 ARG 10 51.709 16.833 -1.408 73 HD2 ARG 10 HD2 ARG 10 51.129 17.823 -3.586 74 HD3 ARG 10 HD1 ARG 10 49.490 18.193 -2.999 75 HE ARG 10 HE ARG 10 51.222 19.432 -1.177 76 HH11 ARG 10 HH11 ARG 10 50.141 21.640 -1.761 77 HH12 ARG 10 HH12 ARG 10 50.818 22.343 -3.191 78 HH21 ARG 10 HH21 ARG 10 52.319 19.401 -4.245 79 HH22 ARG 10 HH22 ARG 10 52.052 21.075 -4.598 80 H HIS 11 HN HIS 11 51.629 12.532 -1.253 81 HA HIS 11 HA HIS 11 49.521 10.677 -2.151 82 HB2 HIS 11 HB2 HIS 11 51.988 11.102 -3.884 83 HB3 HIS 11 HB1 HIS 11 50.634 9.988 -4.192 84 HD1 HIS 11 HD1 HIS 11 51.611 13.638 -4.295 85 HD2 HIS 11 HD2 HIS 11 48.211 11.281 -5.044 86 HE1 HIS 11 HE1 HIS 11 49.933 15.098 -5.553 87 H ALA 12 HN ALA 12 49.861 8.682 -1.809 88 HA ALA 12 HA ALA 12 50.716 6.766 -0.895 89 HB1 ALA 12 HB1 ALA 12 53.146 8.297 -0.427 90 HB2 ALA 12 HB2 ALA 12 52.827 7.604 -2.020 91 HB3 ALA 12 HB3 ALA 12 53.031 6.555 -0.593 92 H ALA 13 HN ALA 13 51.525 9.943 0.414 93 HA ALA 13 HA ALA 13 51.554 9.008 3.193 94 HB1 ALA 13 HB1 ALA 13 50.961 11.346 3.712 95 HB2 ALA 13 HB2 ALA 13 50.550 11.661 2.009 96 HB3 ALA 13 HB3 ALA 13 52.245 11.394 2.481 97 H LYS 14 HN LYS 14 50.241 8.603 0.328 98 HA LYS 14 HA LYS 14 47.295 8.289 1.332 99 HB2 LYS 14 HB2 LYS 14 48.038 9.820 -0.659 100 HB3 LYS 14 HB1 LYS 14 48.467 8.269 -1.473 101 HG2 LYS 14 HG2 LYS 14 46.237 7.777 -1.908 102 HG3 LYS 14 HG1 LYS 14 45.672 8.374 -0.333 103 HD2 LYS 14 HD2 LYS 14 45.765 10.685 -1.128 104 HD3 LYS 14 HD1 LYS 14 46.482 10.158 -2.671 105 HE2 LYS 14 HE2 LYS 14 44.427 8.783 -3.106 106 HE3 LYS 14 HE1 LYS 14 43.707 9.452 -1.620 107 HZ1 LYS 14 HZ1 LYS 14 42.934 10.951 -3.117 108 HZ2 LYS 14 HZ2 LYS 14 44.235 10.748 -4.192 109 HZ3 LYS 14 HZ3 LYS 14 44.424 11.695 -2.794 110 H HIS 15 HN HIS 15 46.347 6.694 -0.546 111 HA HIS 15 HA HIS 15 45.989 4.383 -0.744 112 HB2 HIS 15 HB2 HIS 15 48.732 4.657 -2.022 113 HB3 HIS 15 HB1 HIS 15 47.474 3.461 -2.420 114 HD1 HIS 15 HD1 HIS 15 44.971 4.879 -2.864 115 HD2 HIS 15 HD2 HIS 15 48.643 6.616 -3.953 116 HE1 HIS 15 HE1 HIS 15 44.471 6.708 -4.577 117 H ILE 16 HN ILE 16 47.609 5.232 1.695 118 HA ILE 16 HA ILE 16 47.930 2.849 2.862 119 HB ILE 16 HB ILE 16 49.708 2.036 1.508 120 HG12 ILE 16 HG12 ILE 16 51.395 3.301 3.691 121 HG13 ILE 16 HG11 ILE 16 50.100 2.183 4.157 122 HG21 ILE 16 HG21 ILE 16 50.322 4.072 0.275 123 HG22 ILE 16 HG22 ILE 16 51.780 3.495 1.101 124 HG23 ILE 16 HG23 ILE 16 50.866 4.842 1.777 125 HD11 ILE 16 HD1 ILE 16 52.188 0.938 3.909 126 HD12 ILE 16 HD2 ILE 16 52.415 1.571 2.264 127 HD13 ILE 16 HD3 ILE 16 51.069 0.460 2.612 128 H GLY 17 HN GLY 17 49.399 5.789 2.442 129 HA2 GLY 17 HA1 GLY 17 49.790 6.216 5.322 130 HA3 GLY 17 HA2 GLY 17 49.968 7.436 4.044 131 H HIS 18 HN HIS 18 47.343 6.110 2.947 132 HA HIS 18 HA HIS 18 45.523 7.962 4.467 133 HB2 HIS 18 HB2 HIS 18 45.588 6.731 1.746 134 HB3 HIS 18 HB1 HIS 18 43.972 6.774 2.475 135 HD1 HIS 18 HD1 HIS 18 43.251 8.589 0.708 136 HD2 HIS 18 HD2 HIS 18 46.399 9.783 3.226 137 HE1 HIS 18 HE1 HIS 18 43.476 11.124 0.497 138 H ALA 19 HN ALA 19 45.858 4.453 3.599 139 HA ALA 19 HA ALA 19 44.563 3.720 6.109 140 HB1 ALA 19 HB1 ALA 19 42.454 2.945 5.356 141 HB2 ALA 19 HB2 ALA 19 42.905 3.131 3.643 142 HB3 ALA 19 HB3 ALA 19 42.625 4.570 4.655 143 H ALA 20 HN ALA 20 46.971 2.940 4.793 144 HA ALA 20 HA ALA 20 48.117 0.963 4.414 145 HB1 ALA 20 HB1 ALA 20 46.370 0.158 6.209 146 HB2 ALA 20 HB2 ALA 20 47.308 -1.043 5.290 147 HB3 ALA 20 HB3 ALA 20 45.626 -0.692 4.836 148 H VAL 21 HN VAL 21 45.160 1.752 2.753 149 HA VAL 21 HA VAL 21 46.278 0.531 0.279 150 HB VAL 21 HB VAL 21 43.405 -0.025 1.136 151 HG11 VAL 21 HG11 VAL 21 43.525 -1.612 -0.798 152 HG12 VAL 21 HG12 VAL 21 45.159 -1.006 -1.159 153 HG13 VAL 21 HG13 VAL 21 43.756 0.082 -1.289 154 HG21 VAL 21 HG21 VAL 21 44.852 -1.323 2.593 155 HG22 VAL 21 HG22 VAL 21 45.896 -1.783 1.226 156 HG23 VAL 21 HG23 VAL 21 44.236 -2.415 1.330 157 H ASN 22 HN ASN 22 43.946 2.574 1.962 158 HA ASN 22 HA ASN 22 44.081 4.885 0.567 159 HB2 ASN 22 HB2 ASN 22 43.712 4.110 -1.631 160 HB3 ASN 22 HB1 ASN 22 42.522 2.895 -1.112 161 HD21 ASN 22 HD21 ASN 22 40.298 3.588 -0.793 162 HD22 ASN 22 HD22 ASN 22 39.754 5.184 -1.320 163 H HIS 23 HN HIS 23 41.575 2.437 1.307 164 HA HIS 23 HA HIS 23 40.538 3.966 3.519 165 HB2 HIS 23 HB2 HIS 23 39.642 5.423 1.751 166 HB3 HIS 23 HB1 HIS 23 38.901 4.018 0.949 167 HD1 HIS 23 HD1 HIS 23 38.940 4.957 4.678 168 HD2 HIS 23 HD2 HIS 23 36.211 4.393 1.529 169 HE1 HIS 23 HE1 HIS 23 36.590 5.090 5.673 170 H TYR 24 HN TYR 24 40.598 2.050 4.627 171 HA TYR 24 HA TYR 24 38.318 0.274 4.211 172 HB2 TYR 24 HB2 TYR 24 39.999 -0.570 2.518 173 HB3 TYR 24 HB1 TYR 24 41.094 -0.928 3.875 174 HD1 TYR 24 HD1 TYR 24 40.714 -2.826 5.325 175 HD2 TYR 24 HD2 TYR 24 37.780 -1.728 2.354 176 HE1 TYR 24 HE1 TYR 24 39.518 -4.977 5.710 177 HE2 TYR 24 HE2 TYR 24 36.586 -3.880 2.739 178 HH TYR 24 HH TYR 24 37.855 -6.409 3.741 179 H LEU 25 HN LEU 25 40.517 1.857 6.057 180 HA LEU 25 HA LEU 25 41.001 -0.085 8.154 181 HB2 LEU 25 HB2 LEU 25 42.195 2.202 7.597 182 HB3 LEU 25 HB1 LEU 25 40.933 2.911 8.627 183 HG LEU 25 HG LEU 25 42.860 0.684 9.438 184 HD11 LEU 25 HD11 LEU 25 42.685 3.609 10.289 185 HD12 LEU 25 HD12 LEU 25 43.916 2.923 9.201 186 HD13 LEU 25 HD13 LEU 25 43.846 2.408 10.903 187 HD21 LEU 25 HD21 LEU 25 40.536 2.058 10.843 188 HD22 LEU 25 HD22 LEU 25 41.875 1.342 11.773 189 HD23 LEU 25 HD23 LEU 25 40.886 0.318 10.709 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 61.895 15.305 6.532 2 H2 GLY 1 HT2 GLY 1 62.345 16.792 7.221 3 H3 GLY 1 HT3 GLY 1 62.484 15.356 8.120 4 HA2 GLY 1 HA1 GLY 1 64.504 16.481 6.929 5 HA3 GLY 1 HA2 GLY 1 64.360 14.728 7.160 6 H TRP 2 HN TRP 2 62.562 16.867 4.939 7 HA TRP 2 HA TRP 2 64.103 15.964 2.616 8 HB2 TRP 2 HB2 TRP 2 61.938 14.967 1.551 9 HB3 TRP 2 HB1 TRP 2 62.855 13.963 2.698 10 HD1 TRP 2 HD1 TRP 2 59.626 15.988 2.381 11 HE1 TRP 2 HE1 TRP 2 58.008 15.360 4.314 12 HE3 TRP 2 HE3 TRP 2 62.771 13.035 5.141 13 HZ2 TRP 2 HZ2 TRP 2 58.094 13.785 6.720 14 HZ3 TRP 2 HZ3 TRP 2 61.980 11.980 7.253 15 HH2 TRP 2 HH2 TRP 2 59.648 12.351 8.044 16 H GLY 3 HN GLY 3 60.850 17.166 3.588 17 HA2 GLY 3 HA1 GLY 3 59.690 19.041 2.895 18 HA3 GLY 3 HA2 GLY 3 61.271 19.795 2.616 19 H SER 4 HN SER 4 60.333 16.850 0.956 20 HA SER 4 HA SER 4 60.949 17.735 -1.616 21 HB2 SER 4 HB2 SER 4 60.365 15.378 -0.892 22 HB3 SER 4 HB1 SER 4 58.653 15.849 -0.975 23 HG SER 4 HG SER 4 59.984 14.935 -2.931 24 H ILE 5 HN ILE 5 59.599 18.275 -3.466 25 HA ILE 5 HA ILE 5 57.788 20.454 -2.801 26 HB ILE 5 HB ILE 5 57.399 20.418 -5.375 27 HG12 ILE 5 HG12 ILE 5 59.800 18.532 -5.255 28 HG13 ILE 5 HG11 ILE 5 58.140 17.952 -5.505 29 HG21 ILE 5 HG21 ILE 5 60.270 20.674 -4.365 30 HG22 ILE 5 HG22 ILE 5 59.013 21.919 -4.165 31 HG23 ILE 5 HG23 ILE 5 59.570 21.472 -5.792 32 HD11 ILE 5 HD1 ILE 5 59.001 18.185 -7.702 33 HD12 ILE 5 HD2 ILE 5 59.828 19.709 -7.318 34 HD13 ILE 5 HD3 ILE 5 58.055 19.671 -7.472 35 H PHE 6 HN PHE 6 56.335 19.102 -1.462 36 HA PHE 6 HA PHE 6 54.325 17.985 -1.167 37 HB2 PHE 6 HB2 PHE 6 53.815 19.146 -3.935 38 HB3 PHE 6 HB1 PHE 6 52.567 18.464 -2.863 39 HD1 PHE 6 HD1 PHE 6 52.281 19.478 -0.521 40 HD2 PHE 6 HD2 PHE 6 54.548 21.402 -3.650 41 HE1 PHE 6 HE1 PHE 6 52.104 21.651 0.687 42 HE2 PHE 6 HE2 PHE 6 54.370 23.574 -2.442 43 HZ PHE 6 HZ PHE 6 53.173 23.692 -0.261 44 H LYS 7 HN LYS 7 55.867 16.048 -1.422 45 HA LYS 7 HA LYS 7 54.585 14.201 -3.398 46 HB2 LYS 7 HB2 LYS 7 57.571 14.737 -3.146 47 HB3 LYS 7 HB1 LYS 7 56.916 13.245 -3.864 48 HG2 LYS 7 HG2 LYS 7 55.615 14.632 -5.489 49 HG3 LYS 7 HG1 LYS 7 56.367 16.094 -4.808 50 HD2 LYS 7 HD2 LYS 7 58.560 15.409 -5.514 51 HD3 LYS 7 HD1 LYS 7 57.994 13.770 -5.914 52 HE2 LYS 7 HE2 LYS 7 58.319 15.457 -7.873 53 HE3 LYS 7 HE1 LYS 7 56.810 14.514 -7.827 54 HZ1 LYS 7 HZ1 LYS 7 56.220 16.756 -8.210 55 HZ2 LYS 7 HZ2 LYS 7 57.224 17.328 -6.965 56 HZ3 LYS 7 HZ3 LYS 7 55.825 16.440 -6.591 57 H HIS 8 HN HIS 8 57.262 14.285 -0.985 58 HA HIS 8 HA HIS 8 56.504 11.634 0.012 59 HB2 HIS 8 HB2 HIS 8 58.485 13.715 1.015 60 HB3 HIS 8 HB1 HIS 8 58.302 12.081 1.696 61 HD1 HIS 8 HD1 HIS 8 57.628 11.103 -1.476 62 HD2 HIS 8 HD2 HIS 8 61.123 12.834 0.098 63 HE1 HIS 8 HE1 HIS 8 59.564 10.435 -3.004 64 H GLY 9 HN GLY 9 54.280 13.290 0.163 65 HA2 GLY 9 HA1 GLY 9 53.553 12.966 2.914 66 HA3 GLY 9 HA2 GLY 9 53.929 14.673 2.607 67 H ARG 10 HN ARG 10 53.038 14.251 -0.274 68 HA ARG 10 HA ARG 10 50.123 14.679 0.273 69 HB2 ARG 10 HB2 ARG 10 51.556 16.388 -0.995 70 HB3 ARG 10 HB1 ARG 10 51.644 15.196 -2.311 71 HG2 ARG 10 HG2 ARG 10 49.244 15.229 -2.610 72 HG3 ARG 10 HG1 ARG 10 49.011 16.185 -1.128 73 HD2 ARG 10 HD2 ARG 10 50.040 18.123 -2.104 74 HD3 ARG 10 HD1 ARG 10 50.647 17.186 -3.492 75 HE ARG 10 HE ARG 10 48.521 17.427 -4.489 76 HH11 ARG 10 HH11 ARG 10 46.246 16.757 -3.798 77 HH12 ARG 10 HH12 ARG 10 45.534 17.819 -2.631 78 HH21 ARG 10 HH21 ARG 10 48.533 19.357 -1.811 79 HH22 ARG 10 HH22 ARG 10 46.829 19.291 -1.505 80 H HIS 11 HN HIS 11 52.218 12.267 -0.557 81 HA HIS 11 HA HIS 11 50.013 10.639 -1.698 82 HB2 HIS 11 HB2 HIS 11 51.243 11.632 -3.675 83 HB3 HIS 11 HB1 HIS 11 52.717 10.827 -3.089 84 HD1 HIS 11 HD1 HIS 11 52.549 8.125 -2.832 85 HD2 HIS 11 HD2 HIS 11 49.655 9.992 -5.242 86 HE1 HIS 11 HE1 HIS 11 51.438 6.303 -4.239 87 H ALA 12 HN ALA 12 50.104 8.610 -1.376 88 HA ALA 12 HA ALA 12 50.632 6.603 -0.411 89 HB1 ALA 12 HB1 ALA 12 52.853 6.143 0.172 90 HB2 ALA 12 HB2 ALA 12 53.124 7.870 0.402 91 HB3 ALA 12 HB3 ALA 12 52.949 7.227 -1.233 92 H ALA 13 HN ALA 13 51.581 9.661 1.074 93 HA ALA 13 HA ALA 13 51.162 8.697 3.810 94 HB1 ALA 13 HB1 ALA 13 50.915 11.421 2.410 95 HB2 ALA 13 HB2 ALA 13 52.138 10.942 3.612 96 HB3 ALA 13 HB3 ALA 13 50.445 11.175 4.108 97 H LYS 14 HN LYS 14 50.194 8.463 0.791 98 HA LYS 14 HA LYS 14 47.130 8.428 1.412 99 HB2 LYS 14 HB2 LYS 14 48.269 9.911 -0.427 100 HB3 LYS 14 HB1 LYS 14 48.637 8.337 -1.226 101 HG2 LYS 14 HG2 LYS 14 46.436 8.083 -1.938 102 HG3 LYS 14 HG1 LYS 14 45.745 8.721 -0.430 103 HD2 LYS 14 HD2 LYS 14 46.218 11.024 -1.163 104 HD3 LYS 14 HD1 LYS 14 46.999 10.411 -2.641 105 HE2 LYS 14 HE2 LYS 14 44.094 9.887 -1.870 106 HE3 LYS 14 HE1 LYS 14 44.628 11.132 -3.025 107 HZ1 LYS 14 HZ1 LYS 14 44.235 8.369 -3.460 108 HZ2 LYS 14 HZ2 LYS 14 45.866 8.747 -3.752 109 HZ3 LYS 14 HZ3 LYS 14 44.638 9.575 -4.584 110 H HIS 15 HN HIS 15 46.267 6.981 -0.602 111 HA HIS 15 HA HIS 15 45.709 4.729 -0.930 112 HB2 HIS 15 HB2 HIS 15 48.588 4.944 -1.880 113 HB3 HIS 15 HB1 HIS 15 47.480 3.618 -2.306 114 HD1 HIS 15 HD1 HIS 15 44.874 5.410 -2.591 115 HD2 HIS 15 HD2 HIS 15 48.574 6.113 -4.458 116 HE1 HIS 15 HE1 HIS 15 44.431 6.891 -4.625 117 H ILE 16 HN ILE 16 47.135 5.376 1.715 118 HA ILE 16 HA ILE 16 47.013 2.955 2.863 119 HB ILE 16 HB ILE 16 48.833 1.978 1.671 120 HG12 ILE 16 HG12 ILE 16 50.237 2.982 4.176 121 HG13 ILE 16 HG11 ILE 16 48.864 1.860 4.290 122 HG21 ILE 16 HG21 ILE 16 51.101 3.200 1.620 123 HG22 ILE 16 HG22 ILE 16 50.245 4.621 2.221 124 HG23 ILE 16 HG23 ILE 16 49.836 3.956 0.629 125 HD11 ILE 16 HD1 ILE 16 51.577 1.391 2.998 126 HD12 ILE 16 HD2 ILE 16 50.175 0.365 2.612 127 HD13 ILE 16 HD3 ILE 16 50.780 0.456 4.279 128 H GLY 17 HN GLY 17 48.755 5.767 2.677 129 HA2 GLY 17 HA1 GLY 17 48.887 6.069 5.605 130 HA3 GLY 17 HA2 GLY 17 49.344 7.286 4.397 131 H HIS 18 HN HIS 18 46.714 6.254 2.981 132 HA HIS 18 HA HIS 18 44.944 8.246 4.414 133 HB2 HIS 18 HB2 HIS 18 45.151 7.179 1.614 134 HB3 HIS 18 HB1 HIS 18 43.504 7.499 2.195 135 HD1 HIS 18 HD1 HIS 18 46.244 9.641 3.590 136 HD2 HIS 18 HD2 HIS 18 43.375 9.840 0.522 137 HE1 HIS 18 HE1 HIS 18 46.167 12.061 2.776 138 H ALA 19 HN ALA 19 45.038 4.807 3.294 139 HA ALA 19 HA ALA 19 43.698 3.723 5.486 140 HB1 ALA 19 HB1 ALA 19 41.803 5.091 3.601 141 HB2 ALA 19 HB2 ALA 19 41.663 4.832 5.355 142 HB3 ALA 19 HB3 ALA 19 41.300 3.507 4.231 143 H ALA 20 HN ALA 20 45.258 3.465 2.719 144 HA ALA 20 HA ALA 20 45.758 1.696 1.296 145 HB1 ALA 20 HB1 ALA 20 44.291 -0.094 3.258 146 HB2 ALA 20 HB2 ALA 20 45.923 0.545 3.574 147 HB3 ALA 20 HB3 ALA 20 45.634 -0.515 2.173 148 H VAL 21 HN VAL 21 42.902 2.990 1.695 149 HA VAL 21 HA VAL 21 41.691 1.535 -0.590 150 HB VAL 21 HB VAL 21 40.159 2.014 2.011 151 HG11 VAL 21 HG11 VAL 21 38.464 0.514 0.739 152 HG12 VAL 21 HG12 VAL 21 39.425 0.868 -0.715 153 HG13 VAL 21 HG13 VAL 21 38.636 2.190 0.177 154 HG21 VAL 21 HG21 VAL 21 41.671 0.158 2.370 155 HG22 VAL 21 HG22 VAL 21 41.313 -0.521 0.765 156 HG23 VAL 21 HG23 VAL 21 40.073 -0.542 2.041 157 H ASN 22 HN ASN 22 42.490 4.220 1.240 158 HA ASN 22 HA ASN 22 42.435 6.440 0.368 159 HB2 ASN 22 HB2 ASN 22 41.140 5.627 -1.712 160 HB3 ASN 22 HB1 ASN 22 39.661 5.966 -0.779 161 HD21 ASN 22 HD21 ASN 22 42.850 7.673 -1.243 162 HD22 ASN 22 HD22 ASN 22 42.106 9.233 -1.604 163 H HIS 23 HN HIS 23 39.604 4.766 1.704 164 HA HIS 23 HA HIS 23 39.588 6.476 4.030 165 HB2 HIS 23 HB2 HIS 23 38.613 8.047 2.306 166 HB3 HIS 23 HB1 HIS 23 37.263 6.909 2.117 167 HD1 HIS 23 HD1 HIS 23 39.010 7.877 5.383 168 HD2 HIS 23 HD2 HIS 23 35.301 8.385 3.468 169 HE1 HIS 23 HE1 HIS 23 37.409 8.907 7.086 170 H TYR 24 HN TYR 24 37.339 6.174 5.222 171 HA TYR 24 HA TYR 24 36.209 4.547 6.445 172 HB2 TYR 24 HB2 TYR 24 34.610 3.193 4.988 173 HB3 TYR 24 HB1 TYR 24 34.531 4.960 4.803 174 HD1 TYR 24 HD1 TYR 24 35.814 1.802 3.270 175 HD2 TYR 24 HD2 TYR 24 35.142 6.032 2.732 176 HE1 TYR 24 HE1 TYR 24 36.300 1.569 0.839 177 HE2 TYR 24 HE2 TYR 24 35.631 5.798 0.299 178 HH TYR 24 HH TYR 24 37.192 3.431 -1.063 179 H LEU 25 HN LEU 25 38.975 3.794 5.594 180 HA LEU 25 HA LEU 25 40.322 1.902 5.654 181 HB2 LEU 25 HB2 LEU 25 37.997 0.467 6.975 182 HB3 LEU 25 HB1 LEU 25 39.742 0.226 7.232 183 HG LEU 25 HG LEU 25 38.112 2.686 8.006 184 HD11 LEU 25 HD11 LEU 25 38.721 2.003 10.308 185 HD12 LEU 25 HD12 LEU 25 39.583 0.586 9.662 186 HD13 LEU 25 HD13 LEU 25 37.816 0.713 9.479 187 HD21 LEU 25 HD21 LEU 25 41.102 2.094 8.067 188 HD22 LEU 25 HD22 LEU 25 40.360 3.307 9.139 189 HD23 LEU 25 HD23 LEU 25 40.269 3.507 7.375 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 70.296 14.893 1.556 2 H2 GLY 1 HT2 GLY 1 69.015 13.826 1.883 3 H3 GLY 1 HT3 GLY 1 69.693 14.757 3.133 4 HA2 GLY 1 HA1 GLY 1 67.849 15.942 2.725 5 HA3 GLY 1 HA2 GLY 1 69.031 16.729 1.660 6 H TRP 2 HN TRP 2 66.507 14.208 1.781 7 HA TRP 2 HA TRP 2 66.303 13.719 -0.999 8 HB2 TRP 2 HB2 TRP 2 63.948 13.836 0.917 9 HB3 TRP 2 HB1 TRP 2 64.132 12.822 -0.534 10 HD1 TRP 2 HD1 TRP 2 66.760 11.425 -0.263 11 HE1 TRP 2 HE1 TRP 2 67.370 9.829 1.698 12 HE3 TRP 2 HE3 TRP 2 63.403 13.103 3.219 13 HZ2 TRP 2 HZ2 TRP 2 66.496 9.368 4.403 14 HZ3 TRP 2 HZ3 TRP 2 63.309 12.071 5.483 15 HH2 TRP 2 HH2 TRP 2 64.850 10.207 6.077 16 H GLY 3 HN GLY 3 65.487 14.776 -2.705 17 HA2 GLY 3 HA1 GLY 3 64.753 17.580 -2.366 18 HA3 GLY 3 HA2 GLY 3 64.826 16.670 -3.887 19 H SER 4 HN SER 4 63.015 14.894 -1.723 20 HA SER 4 HA SER 4 60.563 15.406 -3.176 21 HB2 SER 4 HB2 SER 4 59.556 13.901 -1.431 22 HB3 SER 4 HB1 SER 4 60.980 13.211 -2.243 23 HG SER 4 HG SER 4 62.115 13.423 -0.442 24 H ILE 5 HN ILE 5 58.532 16.128 -2.273 25 HA ILE 5 HA ILE 5 58.470 17.567 0.240 26 HB ILE 5 HB ILE 5 59.805 19.194 -1.128 27 HG12 ILE 5 HG12 ILE 5 56.963 20.109 -0.480 28 HG13 ILE 5 HG11 ILE 5 58.277 19.934 0.707 29 HG21 ILE 5 HG21 ILE 5 58.908 20.235 -3.074 30 HG22 ILE 5 HG22 ILE 5 57.279 19.580 -2.779 31 HG23 ILE 5 HG23 ILE 5 58.595 18.500 -3.305 32 HD11 ILE 5 HD1 ILE 5 58.288 22.245 0.125 33 HD12 ILE 5 HD2 ILE 5 58.072 21.895 -1.605 34 HD13 ILE 5 HD3 ILE 5 59.627 21.542 -0.812 35 H PHE 6 HN PHE 6 57.111 17.322 -3.067 36 HA PHE 6 HA PHE 6 54.354 17.632 -1.930 37 HB2 PHE 6 HB2 PHE 6 53.643 17.851 -4.259 38 HB3 PHE 6 HB1 PHE 6 54.984 18.974 -3.931 39 HD1 PHE 6 HD1 PHE 6 54.113 15.659 -5.440 40 HD2 PHE 6 HD2 PHE 6 57.077 18.780 -5.099 41 HE1 PHE 6 HE1 PHE 6 55.428 14.611 -7.276 42 HE2 PHE 6 HE2 PHE 6 58.393 17.728 -6.935 43 HZ PHE 6 HZ PHE 6 57.601 15.609 -7.979 44 H LYS 7 HN LYS 7 56.605 15.294 -3.189 45 HA LYS 7 HA LYS 7 54.655 13.310 -3.985 46 HB2 LYS 7 HB2 LYS 7 57.117 13.430 -4.654 47 HB3 LYS 7 HB1 LYS 7 57.497 12.791 -3.036 48 HG2 LYS 7 HG2 LYS 7 55.878 10.875 -3.551 49 HG3 LYS 7 HG1 LYS 7 55.860 11.458 -5.232 50 HD2 LYS 7 HD2 LYS 7 58.342 10.615 -3.666 51 HD3 LYS 7 HD1 LYS 7 57.538 9.657 -4.931 52 HE2 LYS 7 HE2 LYS 7 57.903 11.756 -6.450 53 HE3 LYS 7 HE1 LYS 7 59.084 12.253 -5.213 54 HZ1 LYS 7 HZ1 LYS 7 59.315 9.491 -6.017 55 HZ2 LYS 7 HZ2 LYS 7 60.513 10.684 -5.855 56 HZ3 LYS 7 HZ3 LYS 7 59.594 10.587 -7.280 57 H HIS 8 HN HIS 8 56.957 13.202 -1.220 58 HA HIS 8 HA HIS 8 55.266 11.263 0.169 59 HB2 HIS 8 HB2 HIS 8 56.953 11.435 1.951 60 HB3 HIS 8 HB1 HIS 8 57.735 11.250 0.362 61 HD1 HIS 8 HD1 HIS 8 59.583 12.460 2.298 62 HD2 HIS 8 HD2 HIS 8 56.786 14.797 0.203 63 HE1 HIS 8 HE1 HIS 8 60.400 14.879 2.378 64 H GLY 9 HN GLY 9 53.354 12.860 -0.041 65 HA2 GLY 9 HA1 GLY 9 52.724 13.797 2.564 66 HA3 GLY 9 HA2 GLY 9 53.273 15.188 1.612 67 H ARG 10 HN ARG 10 52.288 14.601 -0.901 68 HA ARG 10 HA ARG 10 49.343 14.916 -0.411 69 HB2 ARG 10 HB2 ARG 10 51.094 15.571 -2.817 70 HB3 ARG 10 HB1 ARG 10 49.335 15.829 -2.732 71 HG2 ARG 10 HG2 ARG 10 49.654 17.314 -0.764 72 HG3 ARG 10 HG1 ARG 10 51.416 17.080 -0.887 73 HD2 ARG 10 HD2 ARG 10 51.483 18.136 -3.061 74 HD3 ARG 10 HD1 ARG 10 49.706 18.163 -3.163 75 HE ARG 10 HE ARG 10 49.724 20.102 -1.812 76 HH11 ARG 10 HH11 ARG 10 51.014 19.356 0.615 77 HH12 ARG 10 HH12 ARG 10 52.550 20.155 0.571 78 HH21 ARG 10 HH21 ARG 10 52.446 20.731 -2.846 79 HH22 ARG 10 HH22 ARG 10 53.362 20.933 -1.390 80 H HIS 11 HN HIS 11 51.475 12.495 -1.092 81 HA HIS 11 HA HIS 11 49.340 10.797 -2.134 82 HB2 HIS 11 HB2 HIS 11 50.189 11.914 -4.231 83 HB3 HIS 11 HB1 HIS 11 51.793 11.227 -3.887 84 HD1 HIS 11 HD1 HIS 11 51.874 8.510 -3.677 85 HD2 HIS 11 HD2 HIS 11 48.498 10.166 -5.564 86 HE1 HIS 11 HE1 HIS 11 50.729 6.631 -4.974 87 H ALA 12 HN ALA 12 49.594 8.787 -1.898 88 HA ALA 12 HA ALA 12 50.362 6.795 -1.099 89 HB1 ALA 12 HB1 ALA 12 52.498 7.581 -2.220 90 HB2 ALA 12 HB2 ALA 12 52.664 6.441 -0.861 91 HB3 ALA 12 HB3 ALA 12 52.878 8.175 -0.614 92 H ALA 13 HN ALA 13 51.371 9.847 0.350 93 HA ALA 13 HA ALA 13 51.423 8.785 3.077 94 HB1 ALA 13 HB1 ALA 13 50.691 11.195 3.604 95 HB2 ALA 13 HB2 ALA 13 50.775 11.532 1.859 96 HB3 ALA 13 HB3 ALA 13 52.250 11.095 2.754 97 H LYS 14 HN LYS 14 50.014 8.585 0.237 98 HA LYS 14 HA LYS 14 47.082 8.364 1.320 99 HB2 LYS 14 HB2 LYS 14 47.856 9.971 -0.607 100 HB3 LYS 14 HB1 LYS 14 48.182 8.447 -1.514 101 HG2 LYS 14 HG2 LYS 14 45.918 8.096 -1.916 102 HG3 LYS 14 HG1 LYS 14 45.425 8.636 -0.299 103 HD2 LYS 14 HD2 LYS 14 45.650 10.984 -0.979 104 HD3 LYS 14 HD1 LYS 14 46.257 10.486 -2.577 105 HE2 LYS 14 HE2 LYS 14 43.542 9.637 -1.493 106 HE3 LYS 14 HE1 LYS 14 43.779 11.085 -2.500 107 HZ1 LYS 14 HZ1 LYS 14 43.458 8.474 -3.363 108 HZ2 LYS 14 HZ2 LYS 14 45.090 8.846 -3.649 109 HZ3 LYS 14 HZ3 LYS 14 43.866 9.823 -4.305 110 H HIS 15 HN HIS 15 45.998 6.950 -0.596 111 HA HIS 15 HA HIS 15 45.502 4.684 -0.911 112 HB2 HIS 15 HB2 HIS 15 48.135 5.139 -2.349 113 HB3 HIS 15 HB1 HIS 15 47.070 3.741 -2.631 114 HD1 HIS 15 HD1 HIS 15 44.321 5.273 -2.394 115 HD2 HIS 15 HD2 HIS 15 47.572 6.444 -4.789 116 HE1 HIS 15 HE1 HIS 15 43.403 6.790 -4.234 117 H ILE 16 HN ILE 16 47.211 5.250 1.534 118 HA ILE 16 HA ILE 16 47.490 2.800 2.547 119 HB ILE 16 HB ILE 16 49.116 1.996 0.964 120 HG12 ILE 16 HG12 ILE 16 50.750 2.928 3.364 121 HG13 ILE 16 HG11 ILE 16 49.623 1.557 3.406 122 HG21 ILE 16 HG21 ILE 16 49.863 4.061 -0.102 123 HG22 ILE 16 HG22 ILE 16 51.302 3.343 0.645 124 HG23 ILE 16 HG23 ILE 16 50.470 4.680 1.446 125 HD11 ILE 16 HD1 ILE 16 51.590 0.409 2.914 126 HD12 ILE 16 HD2 ILE 16 52.308 1.782 2.048 127 HD13 ILE 16 HD3 ILE 16 51.072 0.778 1.254 128 H GLY 17 HN GLY 17 48.906 5.767 2.157 129 HA2 GLY 17 HA1 GLY 17 49.572 5.964 5.040 130 HA3 GLY 17 HA2 GLY 17 49.792 7.230 3.817 131 H HIS 18 HN HIS 18 47.039 6.076 2.780 132 HA HIS 18 HA HIS 18 45.398 7.990 4.425 133 HB2 HIS 18 HB2 HIS 18 45.296 6.886 1.659 134 HB3 HIS 18 HB1 HIS 18 43.709 6.953 2.449 135 HD1 HIS 18 HD1 HIS 18 46.409 9.490 3.257 136 HD2 HIS 18 HD2 HIS 18 42.929 9.230 0.912 137 HE1 HIS 18 HE1 HIS 18 45.803 11.862 2.530 138 H ALA 19 HN ALA 19 45.677 4.475 3.620 139 HA ALA 19 HA ALA 19 43.974 3.983 6.040 140 HB1 ALA 19 HB1 ALA 19 42.425 2.485 4.819 141 HB2 ALA 19 HB2 ALA 19 43.133 3.036 3.286 142 HB3 ALA 19 HB3 ALA 19 42.272 4.187 4.334 143 H ALA 20 HN ALA 20 46.765 3.428 5.072 144 HA ALA 20 HA ALA 20 48.271 1.679 5.290 145 HB1 ALA 20 HB1 ALA 20 47.816 0.004 6.897 146 HB2 ALA 20 HB2 ALA 20 46.060 0.101 6.621 147 HB3 ALA 20 HB3 ALA 20 46.909 1.436 7.437 148 H VAL 21 HN VAL 21 45.478 1.434 3.429 149 HA VAL 21 HA VAL 21 46.666 -0.807 1.887 150 HB VAL 21 HB VAL 21 43.783 -0.935 2.889 151 HG11 VAL 21 HG11 VAL 21 43.938 -3.241 1.813 152 HG12 VAL 21 HG12 VAL 21 45.479 -2.720 1.093 153 HG13 VAL 21 HG13 VAL 21 43.969 -1.881 0.670 154 HG21 VAL 21 HG21 VAL 21 44.643 -3.043 4.038 155 HG22 VAL 21 HG22 VAL 21 45.256 -1.524 4.722 156 HG23 VAL 21 HG23 VAL 21 46.291 -2.499 3.650 157 H ASN 22 HN ASN 22 44.381 1.871 2.255 158 HA ASN 22 HA ASN 22 44.620 2.565 -0.528 159 HB2 ASN 22 HB2 ASN 22 43.196 0.636 -0.949 160 HB3 ASN 22 HB1 ASN 22 42.036 1.175 0.284 161 HD21 ASN 22 HD21 ASN 22 40.392 2.602 -0.375 162 HD22 ASN 22 HD22 ASN 22 40.356 3.381 -1.961 163 H HIS 23 HN HIS 23 41.471 2.721 1.013 164 HA HIS 23 HA HIS 23 41.964 5.315 2.297 165 HB2 HIS 23 HB2 HIS 23 41.773 5.944 -0.111 166 HB3 HIS 23 HB1 HIS 23 40.166 5.183 -0.156 167 HD1 HIS 23 HD1 HIS 23 40.744 6.700 3.115 168 HD2 HIS 23 HD2 HIS 23 39.346 8.027 -0.623 169 HE1 HIS 23 HE1 HIS 23 39.560 8.933 3.493 170 H TYR 24 HN TYR 24 40.918 2.563 2.845 171 HA TYR 24 HA TYR 24 38.035 2.829 3.180 172 HB2 TYR 24 HB2 TYR 24 39.311 0.652 2.928 173 HB3 TYR 24 HB1 TYR 24 39.916 0.893 4.584 174 HD1 TYR 24 HD1 TYR 24 38.557 0.329 6.470 175 HD2 TYR 24 HD2 TYR 24 36.777 0.601 2.546 176 HE1 TYR 24 HE1 TYR 24 36.435 -0.620 7.366 177 HE2 TYR 24 HE2 TYR 24 34.656 -0.348 3.442 178 HH TYR 24 HH TYR 24 33.543 -0.954 5.331 179 H LEU 25 HN LEU 25 40.084 4.793 4.454 180 HA LEU 25 HA LEU 25 38.537 5.193 6.887 181 HB2 LEU 25 HB2 LEU 25 40.194 3.344 7.509 182 HB3 LEU 25 HB1 LEU 25 41.482 4.542 7.252 183 HG LEU 25 HG LEU 25 40.033 6.049 8.903 184 HD11 LEU 25 HD11 LEU 25 39.100 3.220 9.584 185 HD12 LEU 25 HD12 LEU 25 38.076 4.586 9.085 186 HD13 LEU 25 HD13 LEU 25 38.911 4.628 10.652 187 HD21 LEU 25 HD21 LEU 25 41.242 5.032 10.847 188 HD22 LEU 25 HD22 LEU 25 42.291 5.251 9.426 189 HD23 LEU 25 HD23 LEU 25 41.657 3.636 9.826 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 66.027 16.996 -0.811 2 H2 GLY 1 HT2 GLY 1 66.910 18.448 -0.824 3 H3 GLY 1 HT3 GLY 1 67.631 17.015 -0.266 4 HA2 GLY 1 HA1 GLY 1 66.761 17.611 -3.015 5 HA3 GLY 1 HA2 GLY 1 68.432 17.526 -2.425 6 H TRP 2 HN TRP 2 65.896 15.847 -3.879 7 HA TRP 2 HA TRP 2 67.469 13.418 -4.044 8 HB2 TRP 2 HB2 TRP 2 66.522 13.200 -1.725 9 HB3 TRP 2 HB1 TRP 2 64.892 13.237 -2.438 10 HD1 TRP 2 HD1 TRP 2 63.948 11.006 -3.225 11 HE1 TRP 2 HE1 TRP 2 64.869 8.611 -3.643 12 HE3 TRP 2 HE3 TRP 2 68.936 11.931 -2.543 13 HZ2 TRP 2 HZ2 TRP 2 67.437 7.305 -3.670 14 HZ3 TRP 2 HZ3 TRP 2 70.605 10.097 -2.771 15 HH2 TRP 2 HH2 TRP 2 69.860 7.787 -3.333 16 H GLY 3 HN GLY 3 64.015 14.406 -3.990 17 HA2 GLY 3 HA1 GLY 3 63.575 14.580 -6.724 18 HA3 GLY 3 HA2 GLY 3 63.427 12.845 -6.372 19 H SER 4 HN SER 4 62.491 13.517 -3.584 20 HA SER 4 HA SER 4 59.626 13.708 -4.296 21 HB2 SER 4 HB2 SER 4 59.285 13.261 -1.879 22 HB3 SER 4 HB1 SER 4 60.360 12.063 -2.632 23 HG SER 4 HG SER 4 61.833 14.122 -1.803 24 H ILE 5 HN ILE 5 59.808 15.945 -5.118 25 HA ILE 5 HA ILE 5 60.449 18.094 -3.278 26 HB ILE 5 HB ILE 5 58.658 18.330 -5.732 27 HG12 ILE 5 HG12 ILE 5 61.706 18.218 -5.577 28 HG13 ILE 5 HG11 ILE 5 60.650 17.025 -6.367 29 HG21 ILE 5 HG21 ILE 5 59.425 20.592 -5.792 30 HG22 ILE 5 HG22 ILE 5 60.750 20.260 -4.650 31 HG23 ILE 5 HG23 ILE 5 59.065 20.275 -4.080 32 HD11 ILE 5 HD1 ILE 5 61.403 18.412 -8.146 33 HD12 ILE 5 HD2 ILE 5 61.202 19.898 -7.188 34 HD13 ILE 5 HD3 ILE 5 59.770 19.020 -7.784 35 H PHE 6 HN PHE 6 57.582 16.223 -4.041 36 HA PHE 6 HA PHE 6 56.194 17.379 -1.718 37 HB2 PHE 6 HB2 PHE 6 55.148 17.812 -4.545 38 HB3 PHE 6 HB1 PHE 6 54.157 17.987 -3.077 39 HD1 PHE 6 HD1 PHE 6 56.269 19.734 -5.353 40 HD2 PHE 6 HD2 PHE 6 55.247 19.494 -1.165 41 HE1 PHE 6 HE1 PHE 6 57.131 22.045 -5.009 42 HE2 PHE 6 HE2 PHE 6 56.113 21.805 -0.823 43 HZ PHE 6 HZ PHE 6 57.051 23.082 -2.746 44 H LYS 7 HN LYS 7 56.973 14.918 -3.819 45 HA LYS 7 HA LYS 7 54.739 13.322 -4.193 46 HB2 LYS 7 HB2 LYS 7 57.024 12.689 -4.881 47 HB3 LYS 7 HB1 LYS 7 57.454 12.396 -3.179 48 HG2 LYS 7 HG2 LYS 7 55.900 10.570 -3.001 49 HG3 LYS 7 HG1 LYS 7 55.129 10.987 -4.548 50 HD2 LYS 7 HD2 LYS 7 56.650 9.042 -4.800 51 HD3 LYS 7 HD1 LYS 7 57.205 10.432 -5.761 52 HE2 LYS 7 HE2 LYS 7 58.980 9.157 -4.357 53 HE3 LYS 7 HE1 LYS 7 58.964 10.931 -4.243 54 HZ1 LYS 7 HZ1 LYS 7 59.009 9.469 -2.104 55 HZ2 LYS 7 HZ2 LYS 7 57.334 9.347 -2.367 56 HZ3 LYS 7 HZ3 LYS 7 58.054 10.870 -2.151 57 H HIS 8 HN HIS 8 56.880 12.523 -1.448 58 HA HIS 8 HA HIS 8 54.680 11.332 0.016 59 HB2 HIS 8 HB2 HIS 8 56.377 11.161 1.857 60 HB3 HIS 8 HB1 HIS 8 56.944 10.492 0.308 61 HD1 HIS 8 HD1 HIS 8 56.868 14.126 0.102 62 HD2 HIS 8 HD2 HIS 8 59.593 11.247 1.503 63 HE1 HIS 8 HE1 HIS 8 59.139 15.275 0.331 64 H GLY 9 HN GLY 9 55.315 14.490 -0.628 65 HA2 GLY 9 HA1 GLY 9 54.861 15.605 2.052 66 HA3 GLY 9 HA2 GLY 9 54.980 16.497 0.524 67 H ARG 10 HN ARG 10 52.902 14.449 -0.559 68 HA ARG 10 HA ARG 10 50.481 15.069 0.941 69 HB2 ARG 10 HB2 ARG 10 49.432 16.561 -0.675 70 HB3 ARG 10 HB1 ARG 10 50.961 17.285 -0.121 71 HG2 ARG 10 HG2 ARG 10 52.053 16.184 -2.181 72 HG3 ARG 10 HG1 ARG 10 50.400 15.875 -2.761 73 HD2 ARG 10 HD2 ARG 10 51.663 18.578 -2.140 74 HD3 ARG 10 HD1 ARG 10 51.148 17.968 -3.731 75 HE ARG 10 HE ARG 10 49.406 19.130 -1.694 76 HH11 ARG 10 HH11 ARG 10 48.463 19.860 -4.167 77 HH12 ARG 10 HH12 ARG 10 47.321 18.653 -4.655 78 HH21 ARG 10 HH21 ARG 10 48.447 16.289 -2.381 79 HH22 ARG 10 HH22 ARG 10 47.312 16.631 -3.644 80 H HIS 11 HN HIS 11 51.954 12.809 -0.330 81 HA HIS 11 HA HIS 11 49.618 11.515 -1.459 82 HB2 HIS 11 HB2 HIS 11 50.372 12.832 -3.452 83 HB3 HIS 11 HB1 HIS 11 51.947 12.010 -3.354 84 HD1 HIS 11 HD1 HIS 11 48.312 10.739 -3.145 85 HD2 HIS 11 HD2 HIS 11 51.913 9.942 -5.169 86 HE1 HIS 11 HE1 HIS 11 47.898 8.737 -4.677 87 H ALA 12 HN ALA 12 49.698 9.459 -1.639 88 HA ALA 12 HA ALA 12 50.315 7.299 -1.241 89 HB1 ALA 12 HB1 ALA 12 52.976 8.365 -0.733 90 HB2 ALA 12 HB2 ALA 12 52.423 8.093 -2.390 91 HB3 ALA 12 HB3 ALA 12 52.596 6.732 -1.251 92 H ALA 13 HN ALA 13 51.714 9.931 0.649 93 HA ALA 13 HA ALA 13 51.830 8.370 3.123 94 HB1 ALA 13 HB1 ALA 13 52.857 10.670 3.038 95 HB2 ALA 13 HB2 ALA 13 51.495 10.636 4.185 96 HB3 ALA 13 HB3 ALA 13 51.281 11.347 2.567 97 H LYS 14 HN LYS 14 50.232 8.853 0.412 98 HA LYS 14 HA LYS 14 47.370 8.690 1.668 99 HB2 LYS 14 HB2 LYS 14 48.180 10.535 -0.008 100 HB3 LYS 14 HB1 LYS 14 48.283 9.176 -1.189 101 HG2 LYS 14 HG2 LYS 14 45.969 9.096 -1.436 102 HG3 LYS 14 HG1 LYS 14 45.650 9.413 0.284 103 HD2 LYS 14 HD2 LYS 14 46.188 11.824 -0.090 104 HD3 LYS 14 HD1 LYS 14 46.431 11.479 -1.819 105 HE2 LYS 14 HE2 LYS 14 43.849 10.884 -0.314 106 HE3 LYS 14 HE1 LYS 14 44.127 12.362 -1.264 107 HZ1 LYS 14 HZ1 LYS 14 43.315 9.849 -2.183 108 HZ2 LYS 14 HZ2 LYS 14 44.868 10.132 -2.809 109 HZ3 LYS 14 HZ3 LYS 14 43.618 11.247 -3.092 110 H HIS 15 HN HIS 15 46.023 7.742 -0.357 111 HA HIS 15 HA HIS 15 45.267 5.630 -1.024 112 HB2 HIS 15 HB2 HIS 15 46.448 6.748 -2.956 113 HB3 HIS 15 HB1 HIS 15 47.881 5.766 -2.568 114 HD1 HIS 15 HD1 HIS 15 48.012 3.707 -3.960 115 HD2 HIS 15 HD2 HIS 15 44.032 4.806 -3.160 116 HE1 HIS 15 HE1 HIS 15 46.504 1.972 -5.075 117 H ILE 16 HN ILE 16 47.285 5.630 1.288 118 HA ILE 16 HA ILE 16 47.275 3.005 1.845 119 HB ILE 16 HB ILE 16 48.733 2.332 0.080 120 HG12 ILE 16 HG12 ILE 16 50.804 2.663 2.269 121 HG13 ILE 16 HG11 ILE 16 49.360 1.686 2.605 122 HG21 ILE 16 HG21 ILE 16 49.598 4.485 -0.682 123 HG22 ILE 16 HG22 ILE 16 51.010 3.529 -0.181 124 HG23 ILE 16 HG23 ILE 16 50.366 4.772 0.892 125 HD11 ILE 16 HD1 ILE 16 49.869 0.116 0.904 126 HD12 ILE 16 HD2 ILE 16 51.445 0.463 1.653 127 HD13 ILE 16 HD3 ILE 16 51.015 1.213 0.100 128 H GLY 17 HN GLY 17 49.064 5.792 1.920 129 HA2 GLY 17 HA1 GLY 17 49.838 5.406 4.745 130 HA3 GLY 17 HA2 GLY 17 50.102 6.865 3.767 131 H HIS 18 HN HIS 18 47.210 6.199 2.732 132 HA HIS 18 HA HIS 18 45.841 7.852 4.849 133 HB2 HIS 18 HB2 HIS 18 45.473 7.332 1.928 134 HB3 HIS 18 HB1 HIS 18 43.957 7.412 2.844 135 HD1 HIS 18 HD1 HIS 18 43.360 9.690 1.680 136 HD2 HIS 18 HD2 HIS 18 46.892 9.784 3.960 137 HE1 HIS 18 HE1 HIS 18 43.971 12.145 2.038 138 H ALA 19 HN ALA 19 45.531 4.707 3.101 139 HA ALA 19 HA ALA 19 44.759 3.135 5.249 140 HB1 ALA 19 HB1 ALA 19 42.835 4.264 5.937 141 HB2 ALA 19 HB2 ALA 19 42.120 3.149 4.753 142 HB3 ALA 19 HB3 ALA 19 42.460 4.835 4.293 143 H ALA 20 HN ALA 20 45.554 3.543 2.227 144 HA ALA 20 HA ALA 20 45.576 2.190 0.342 145 HB1 ALA 20 HB1 ALA 20 44.491 -0.024 2.111 146 HB2 ALA 20 HB2 ALA 20 46.192 0.498 2.156 147 HB3 ALA 20 HB3 ALA 20 45.505 -0.171 0.656 148 H VAL 21 HN VAL 21 42.976 3.362 1.736 149 HA VAL 21 HA VAL 21 41.153 2.439 -0.442 150 HB VAL 21 HB VAL 21 40.413 2.459 2.523 151 HG11 VAL 21 HG11 VAL 21 38.796 2.148 -0.035 152 HG12 VAL 21 HG12 VAL 21 38.478 3.203 1.363 153 HG13 VAL 21 HG13 VAL 21 38.229 1.450 1.500 154 HG21 VAL 21 HG21 VAL 21 39.989 0.012 2.108 155 HG22 VAL 21 HG22 VAL 21 41.697 0.462 1.911 156 HG23 VAL 21 HG23 VAL 21 40.675 0.206 0.477 157 H ASN 22 HN ASN 22 42.578 4.745 1.531 158 HA ASN 22 HA ASN 22 42.486 7.087 0.999 159 HB2 ASN 22 HB2 ASN 22 40.604 6.721 -0.703 160 HB3 ASN 22 HB1 ASN 22 39.470 6.872 0.667 161 HD21 ASN 22 HD21 ASN 22 40.284 8.914 2.195 162 HD22 ASN 22 HD22 ASN 22 40.504 10.396 1.256 163 H HIS 23 HN HIS 23 40.053 5.305 2.859 164 HA HIS 23 HA HIS 23 40.845 6.652 5.291 165 HB2 HIS 23 HB2 HIS 23 39.415 8.416 4.086 166 HB3 HIS 23 HB1 HIS 23 38.034 7.328 4.350 167 HD1 HIS 23 HD1 HIS 23 36.781 7.770 6.454 168 HD2 HIS 23 HD2 HIS 23 40.844 8.796 6.807 169 HE1 HIS 23 HE1 HIS 23 37.116 8.763 8.786 170 H TYR 24 HN TYR 24 37.781 6.365 6.043 171 HA TYR 24 HA TYR 24 36.573 4.728 7.155 172 HB2 TYR 24 HB2 TYR 24 37.649 2.974 4.910 173 HB3 TYR 24 HB1 TYR 24 36.265 2.591 5.962 174 HD1 TYR 24 HD1 TYR 24 37.495 4.739 3.210 175 HD2 TYR 24 HD2 TYR 24 34.143 3.810 5.765 176 HE1 TYR 24 HE1 TYR 24 35.993 6.047 1.713 177 HE2 TYR 24 HE2 TYR 24 32.641 5.119 4.268 178 HH TYR 24 HH TYR 24 32.556 6.044 2.025 179 H LEU 25 HN LEU 25 39.593 5.087 7.616 180 HA LEU 25 HA LEU 25 40.715 2.565 8.327 181 HB2 LEU 25 HB2 LEU 25 41.745 5.000 8.205 182 HB3 LEU 25 HB1 LEU 25 41.294 5.081 9.920 183 HG LEU 25 HG LEU 25 43.083 2.977 8.614 184 HD11 LEU 25 HD11 LEU 25 43.672 5.175 10.648 185 HD12 LEU 25 HD12 LEU 25 44.118 5.219 8.925 186 HD13 LEU 25 HD13 LEU 25 44.846 4.004 10.002 187 HD21 LEU 25 HD21 LEU 25 41.947 1.836 10.371 188 HD22 LEU 25 HD22 LEU 25 41.948 3.270 11.426 189 HD23 LEU 25 HD23 LEU 25 43.462 2.384 11.123 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 65.339 21.775 1.558 2 H2 GLY 1 HT2 GLY 1 64.641 20.227 1.618 3 H3 GLY 1 HT3 GLY 1 64.943 20.970 0.120 4 HA2 GLY 1 HA1 GLY 1 66.902 20.078 0.026 5 HA3 GLY 1 HA2 GLY 1 67.322 20.939 1.519 6 H TRP 2 HN TRP 2 64.751 19.229 2.463 7 HA TRP 2 HA TRP 2 66.293 17.331 3.959 8 HB2 TRP 2 HB2 TRP 2 64.058 18.154 4.647 9 HB3 TRP 2 HB1 TRP 2 63.325 17.281 3.279 10 HD1 TRP 2 HD1 TRP 2 63.031 14.705 3.486 11 HE1 TRP 2 HE1 TRP 2 63.343 12.979 5.406 12 HE3 TRP 2 HE3 TRP 2 65.590 17.644 6.802 13 HZ2 TRP 2 HZ2 TRP 2 64.549 12.917 8.020 14 HZ3 TRP 2 HZ3 TRP 2 66.313 16.733 9.002 15 HH2 TRP 2 HH2 TRP 2 65.795 14.373 9.615 16 H GLY 3 HN GLY 3 63.676 16.413 1.704 17 HA2 GLY 3 HA1 GLY 3 65.232 14.916 -0.117 18 HA3 GLY 3 HA2 GLY 3 64.810 13.826 1.219 19 H SER 4 HN SER 4 62.467 16.206 0.955 20 HA SER 4 HA SER 4 60.909 15.008 -1.219 21 HB2 SER 4 HB2 SER 4 59.896 14.639 1.625 22 HB3 SER 4 HB1 SER 4 59.110 14.106 0.123 23 HG SER 4 HG SER 4 60.568 12.607 1.478 24 H ILE 5 HN ILE 5 60.341 16.893 -2.107 25 HA ILE 5 HA ILE 5 59.976 19.352 -0.804 26 HB ILE 5 HB ILE 5 60.066 18.993 -3.298 27 HG12 ILE 5 HG12 ILE 5 57.636 20.553 -2.308 28 HG13 ILE 5 HG11 ILE 5 59.314 21.139 -2.242 29 HG21 ILE 5 HG21 ILE 5 58.317 17.095 -3.184 30 HG22 ILE 5 HG22 ILE 5 58.149 18.260 -4.516 31 HG23 ILE 5 HG23 ILE 5 57.091 18.382 -3.090 32 HD11 ILE 5 HD1 ILE 5 58.408 22.082 -4.238 33 HD12 ILE 5 HD2 ILE 5 57.619 20.557 -4.697 34 HD13 ILE 5 HD3 ILE 5 59.390 20.705 -4.791 35 H PHE 6 HN PHE 6 57.585 16.784 -1.461 36 HA PHE 6 HA PHE 6 56.065 17.351 0.893 37 HB2 PHE 6 HB2 PHE 6 55.276 18.821 -1.609 38 HB3 PHE 6 HB1 PHE 6 53.949 18.061 -0.706 39 HD1 PHE 6 HD1 PHE 6 55.722 21.071 -1.032 40 HD2 PHE 6 HD2 PHE 6 54.243 18.379 2.006 41 HE1 PHE 6 HE1 PHE 6 55.736 22.929 0.625 42 HE2 PHE 6 HE2 PHE 6 54.260 20.240 3.660 43 HZ PHE 6 HZ PHE 6 55.062 22.499 2.983 44 H LYS 7 HN LYS 7 57.098 15.502 -1.540 45 HA LYS 7 HA LYS 7 54.914 13.942 -2.406 46 HB2 LYS 7 HB2 LYS 7 57.244 13.747 -3.252 47 HB3 LYS 7 HB1 LYS 7 57.715 12.971 -1.721 48 HG2 LYS 7 HG2 LYS 7 56.264 11.092 -2.125 49 HG3 LYS 7 HG1 LYS 7 55.480 11.911 -3.497 50 HD2 LYS 7 HD2 LYS 7 57.502 11.796 -4.820 51 HD3 LYS 7 HD1 LYS 7 58.447 11.223 -3.424 52 HE2 LYS 7 HE2 LYS 7 56.085 9.716 -4.626 53 HE3 LYS 7 HE1 LYS 7 57.787 9.385 -5.023 54 HZ1 LYS 7 HZ1 LYS 7 57.702 8.014 -3.278 55 HZ2 LYS 7 HZ2 LYS 7 56.278 8.705 -2.659 56 HZ3 LYS 7 HZ3 LYS 7 57.786 9.409 -2.317 57 H HIS 8 HN HIS 8 56.573 14.021 0.700 58 HA HIS 8 HA HIS 8 55.293 11.517 1.621 59 HB2 HIS 8 HB2 HIS 8 56.393 12.111 3.791 60 HB3 HIS 8 HB1 HIS 8 57.529 12.019 2.424 61 HD1 HIS 8 HD1 HIS 8 58.771 13.645 4.441 62 HD2 HIS 8 HD2 HIS 8 55.746 15.316 2.048 63 HE1 HIS 8 HE1 HIS 8 59.053 16.182 4.519 64 H GLY 9 HN GLY 9 53.259 13.053 0.792 65 HA2 GLY 9 HA1 GLY 9 51.592 13.266 3.062 66 HA3 GLY 9 HA2 GLY 9 52.232 14.889 2.743 67 H ARG 10 HN ARG 10 52.419 14.096 -0.202 68 HA ARG 10 HA ARG 10 49.748 15.086 -0.908 69 HB2 ARG 10 HB2 ARG 10 52.203 14.338 -2.523 70 HB3 ARG 10 HB1 ARG 10 50.686 14.910 -3.258 71 HG2 ARG 10 HG2 ARG 10 50.821 17.023 -2.095 72 HG3 ARG 10 HG1 ARG 10 52.175 16.449 -1.091 73 HD2 ARG 10 HD2 ARG 10 53.670 16.396 -2.970 74 HD3 ARG 10 HD1 ARG 10 52.334 16.603 -4.128 75 HE ARG 10 HE ARG 10 52.469 18.832 -2.282 76 HH11 ARG 10 HH11 ARG 10 55.290 18.299 -3.446 77 HH12 ARG 10 HH12 ARG 10 55.277 19.385 -4.795 78 HH21 ARG 10 HH21 ARG 10 51.841 19.852 -4.726 79 HH22 ARG 10 HH22 ARG 10 53.324 20.263 -5.521 80 H HIS 11 HN HIS 11 50.815 13.096 -3.319 81 HA HIS 11 HA HIS 11 48.622 11.166 -2.829 82 HB2 HIS 11 HB2 HIS 11 48.803 12.254 -5.055 83 HB3 HIS 11 HB1 HIS 11 50.431 11.561 -5.246 84 HD1 HIS 11 HD1 HIS 11 50.596 8.886 -5.314 85 HD2 HIS 11 HD2 HIS 11 46.743 10.513 -5.748 86 HE1 HIS 11 HE1 HIS 11 49.080 7.030 -6.203 87 H ALA 12 HN ALA 12 48.776 9.094 -2.757 88 HA ALA 12 HA ALA 12 49.598 7.018 -2.281 89 HB1 ALA 12 HB1 ALA 12 51.262 7.712 -4.064 90 HB2 ALA 12 HB2 ALA 12 51.813 6.502 -2.876 91 HB3 ALA 12 HB3 ALA 12 52.226 8.209 -2.684 92 H ALA 13 HN ALA 13 51.340 9.893 -1.179 93 HA ALA 13 HA ALA 13 52.221 8.656 1.321 94 HB1 ALA 13 HB1 ALA 13 53.124 10.886 0.898 95 HB2 ALA 13 HB2 ALA 13 51.866 11.103 2.137 96 HB3 ALA 13 HB3 ALA 13 51.524 11.510 0.438 97 H LYS 14 HN LYS 14 49.908 8.825 -0.874 98 HA LYS 14 HA LYS 14 47.513 8.756 1.144 99 HB2 LYS 14 HB2 LYS 14 47.738 10.369 -0.907 100 HB3 LYS 14 HB1 LYS 14 47.575 8.867 -1.892 101 HG2 LYS 14 HG2 LYS 14 45.289 8.737 -1.471 102 HG3 LYS 14 HG1 LYS 14 45.443 9.259 0.221 103 HD2 LYS 14 HD2 LYS 14 45.702 11.607 -0.527 104 HD3 LYS 14 HD1 LYS 14 45.567 11.082 -2.224 105 HE2 LYS 14 HE2 LYS 14 43.427 10.569 -0.116 106 HE3 LYS 14 HE1 LYS 14 43.403 11.951 -1.238 107 HZ1 LYS 14 HZ1 LYS 14 43.816 9.314 -2.417 108 HZ2 LYS 14 HZ2 LYS 14 42.913 10.636 -2.988 109 HZ3 LYS 14 HZ3 LYS 14 42.271 9.618 -1.788 110 H HIS 15 HN HIS 15 45.699 7.527 -0.301 111 HA HIS 15 HA HIS 15 44.892 5.339 -0.490 112 HB2 HIS 15 HB2 HIS 15 45.445 6.186 -2.784 113 HB3 HIS 15 HB1 HIS 15 47.011 5.350 -2.669 114 HD1 HIS 15 HD1 HIS 15 47.017 3.052 -3.622 115 HD2 HIS 15 HD2 HIS 15 43.192 4.194 -2.298 116 HE1 HIS 15 HE1 HIS 15 45.426 1.117 -4.128 117 H ILE 16 HN ILE 16 47.441 5.670 1.184 118 HA ILE 16 HA ILE 16 47.712 3.146 2.045 119 HB ILE 16 HB ILE 16 48.671 2.265 0.048 120 HG12 ILE 16 HG12 ILE 16 50.981 1.679 0.646 121 HG13 ILE 16 HG11 ILE 16 51.013 2.960 1.875 122 HG21 ILE 16 HG21 ILE 16 50.715 3.403 -0.993 123 HG22 ILE 16 HG22 ILE 16 50.374 4.787 0.050 124 HG23 ILE 16 HG23 ILE 16 49.196 4.308 -1.185 125 HD11 ILE 16 HD1 ILE 16 48.942 0.725 1.875 126 HD12 ILE 16 HD2 ILE 16 49.331 1.849 3.197 127 HD13 ILE 16 HD3 ILE 16 50.499 0.594 2.726 128 H GLY 17 HN GLY 17 49.453 5.845 1.232 129 HA2 GLY 17 HA1 GLY 17 50.927 5.891 3.768 130 HA3 GLY 17 HA2 GLY 17 50.841 7.205 2.580 131 H HIS 18 HN HIS 18 47.797 6.428 2.506 132 HA HIS 18 HA HIS 18 47.039 8.331 4.715 133 HB2 HIS 18 HB2 HIS 18 45.847 7.426 2.124 134 HB3 HIS 18 HB1 HIS 18 44.672 7.627 3.436 135 HD1 HIS 18 HD1 HIS 18 43.671 9.710 2.167 136 HD2 HIS 18 HD2 HIS 18 47.685 10.147 3.342 137 HE1 HIS 18 HE1 HIS 18 44.245 12.194 2.011 138 H ALA 19 HN ALA 19 46.319 5.003 3.513 139 HA ALA 19 HA ALA 19 46.288 3.693 5.960 140 HB1 ALA 19 HB1 ALA 19 43.739 5.254 5.540 141 HB2 ALA 19 HB2 ALA 19 44.618 4.915 7.051 142 HB3 ALA 19 HB3 ALA 19 43.634 3.647 6.295 143 H ALA 20 HN ALA 20 46.132 3.749 2.811 144 HA ALA 20 HA ALA 20 45.647 2.181 1.170 145 HB1 ALA 20 HB1 ALA 20 46.806 0.709 2.917 146 HB2 ALA 20 HB2 ALA 20 45.751 -0.122 1.751 147 HB3 ALA 20 HB3 ALA 20 45.179 0.187 3.408 148 H VAL 21 HN VAL 21 43.538 3.521 3.129 149 HA VAL 21 HA VAL 21 41.181 2.368 1.700 150 HB VAL 21 HB VAL 21 41.313 2.763 4.726 151 HG11 VAL 21 HG11 VAL 21 38.997 1.565 4.489 152 HG12 VAL 21 HG12 VAL 21 39.079 2.064 2.783 153 HG13 VAL 21 HG13 VAL 21 39.092 3.289 4.074 154 HG21 VAL 21 HG21 VAL 21 42.500 0.728 4.053 155 HG22 VAL 21 HG22 VAL 21 41.146 0.247 3.002 156 HG23 VAL 21 HG23 VAL 21 40.938 0.272 4.770 157 H ASN 22 HN ASN 22 43.057 4.878 2.886 158 HA ASN 22 HA ASN 22 42.741 7.151 2.178 159 HB2 ASN 22 HB2 ASN 22 40.456 6.581 1.140 160 HB3 ASN 22 HB1 ASN 22 39.765 6.909 2.750 161 HD21 ASN 22 HD21 ASN 22 39.723 9.107 3.526 162 HD22 ASN 22 HD22 ASN 22 40.141 10.463 2.474 163 H HIS 23 HN HIS 23 41.018 5.539 4.793 164 HA HIS 23 HA HIS 23 42.395 6.972 6.840 165 HB2 HIS 23 HB2 HIS 23 40.326 8.237 7.722 166 HB3 HIS 23 HB1 HIS 23 41.168 8.946 6.325 167 HD1 HIS 23 HD1 HIS 23 39.238 5.898 5.504 168 HD2 HIS 23 HD2 HIS 23 38.496 10.035 5.673 169 HE1 HIS 23 HE1 HIS 23 37.079 6.338 4.208 170 H TYR 24 HN TYR 24 42.584 4.887 7.649 171 HA TYR 24 HA TYR 24 40.139 3.896 9.066 172 HB2 TYR 24 HB2 TYR 24 40.245 2.626 6.948 173 HB3 TYR 24 HB1 TYR 24 41.929 2.169 7.302 174 HD1 TYR 24 HD1 TYR 24 38.438 1.997 8.699 175 HD2 TYR 24 HD2 TYR 24 42.387 0.252 8.633 176 HE1 TYR 24 HE1 TYR 24 37.618 0.085 10.067 177 HE2 TYR 24 HE2 TYR 24 41.564 -1.661 10.000 178 HH TYR 24 HH TYR 24 38.871 -2.705 10.112 179 H LEU 25 HN LEU 25 43.101 5.079 9.316 180 HA LEU 25 HA LEU 25 44.827 4.873 10.857 181 HB2 LEU 25 HB2 LEU 25 42.472 3.689 12.367 182 HB3 LEU 25 HB1 LEU 25 44.077 3.835 13.119 183 HG LEU 25 HG LEU 25 44.083 6.251 12.762 184 HD11 LEU 25 HD11 LEU 25 41.519 5.669 11.230 185 HD12 LEU 25 HD12 LEU 25 42.962 6.558 10.684 186 HD13 LEU 25 HD13 LEU 25 41.870 7.289 11.881 187 HD21 LEU 25 HD21 LEU 25 41.354 5.424 13.845 188 HD22 LEU 25 HD22 LEU 25 42.304 6.861 14.296 189 HD23 LEU 25 HD23 LEU 25 42.873 5.237 14.752 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 67.537 7.832 -3.553 2 H2 GLY 1 HT2 GLY 1 66.062 6.987 -3.518 3 H3 GLY 1 HT3 GLY 1 66.943 7.229 -2.085 4 HA2 GLY 1 HA1 GLY 1 64.999 8.672 -2.323 5 HA3 GLY 1 HA2 GLY 1 66.545 9.511 -2.088 6 H TRP 2 HN TRP 2 64.756 11.113 -3.042 7 HA TRP 2 HA TRP 2 65.724 11.727 -5.715 8 HB2 TRP 2 HB2 TRP 2 64.057 9.961 -6.264 9 HB3 TRP 2 HB1 TRP 2 62.801 10.918 -5.442 10 HD1 TRP 2 HD1 TRP 2 61.637 12.728 -6.818 11 HE1 TRP 2 HE1 TRP 2 61.964 13.805 -9.162 12 HE3 TRP 2 HE3 TRP 2 66.127 10.606 -8.064 13 HZ2 TRP 2 HZ2 TRP 2 63.924 13.734 -11.270 14 HZ3 TRP 2 HZ3 TRP 2 67.206 11.125 -10.247 15 HH2 TRP 2 HH2 TRP 2 66.110 12.686 -11.849 16 H GLY 3 HN GLY 3 64.856 12.621 -2.783 17 HA2 GLY 3 HA1 GLY 3 64.478 14.739 -1.905 18 HA3 GLY 3 HA2 GLY 3 64.431 15.391 -3.555 19 H SER 4 HN SER 4 62.348 12.922 -3.739 20 HA SER 4 HA SER 4 60.032 12.894 -3.934 21 HB2 SER 4 HB2 SER 4 58.809 13.478 -1.851 22 HB3 SER 4 HB1 SER 4 60.239 12.470 -1.533 23 HG SER 4 HG SER 4 59.692 14.747 -0.433 24 H ILE 5 HN ILE 5 59.562 14.212 -5.652 25 HA ILE 5 HA ILE 5 59.572 17.098 -5.457 26 HB ILE 5 HB ILE 5 59.762 15.764 -7.607 27 HG12 ILE 5 HG12 ILE 5 57.565 17.872 -7.389 28 HG13 ILE 5 HG11 ILE 5 59.298 18.171 -7.646 29 HG21 ILE 5 HG21 ILE 5 57.822 14.802 -8.619 30 HG22 ILE 5 HG22 ILE 5 56.732 15.549 -7.426 31 HG23 ILE 5 HG23 ILE 5 57.811 14.220 -6.939 32 HD11 ILE 5 HD1 ILE 5 58.348 18.320 -9.819 33 HD12 ILE 5 HD2 ILE 5 57.296 16.911 -9.551 34 HD13 ILE 5 HD3 ILE 5 59.050 16.686 -9.764 35 H PHE 6 HN PHE 6 57.054 14.585 -5.226 36 HA PHE 6 HA PHE 6 55.392 16.394 -3.601 37 HB2 PHE 6 HB2 PHE 6 54.584 15.532 -6.404 38 HB3 PHE 6 HB1 PHE 6 53.360 15.874 -5.160 39 HD1 PHE 6 HD1 PHE 6 53.833 18.151 -3.774 40 HD2 PHE 6 HD2 PHE 6 55.224 17.343 -7.785 41 HE1 PHE 6 HE1 PHE 6 54.048 20.594 -4.196 42 HE2 PHE 6 HE2 PHE 6 55.436 19.788 -8.200 43 HZ PHE 6 HZ PHE 6 54.805 21.414 -6.423 44 H LYS 7 HN LYS 7 56.622 13.423 -4.487 45 HA LYS 7 HA LYS 7 54.514 11.609 -3.901 46 HB2 LYS 7 HB2 LYS 7 57.448 11.256 -3.173 47 HB3 LYS 7 HB1 LYS 7 56.254 9.973 -3.467 48 HG2 LYS 7 HG2 LYS 7 57.127 12.031 -5.547 49 HG3 LYS 7 HG1 LYS 7 57.781 10.383 -5.422 50 HD2 LYS 7 HD2 LYS 7 55.285 9.608 -5.585 51 HD3 LYS 7 HD1 LYS 7 54.968 11.257 -6.175 52 HE2 LYS 7 HE2 LYS 7 55.354 9.795 -8.090 53 HE3 LYS 7 HE1 LYS 7 56.729 10.914 -7.934 54 HZ1 LYS 7 HZ1 LYS 7 57.341 8.729 -6.358 55 HZ2 LYS 7 HZ2 LYS 7 58.025 9.134 -7.859 56 HZ3 LYS 7 HZ3 LYS 7 56.700 8.075 -7.786 57 H HIS 8 HN HIS 8 57.232 12.261 -1.658 58 HA HIS 8 HA HIS 8 55.496 11.610 0.631 59 HB2 HIS 8 HB2 HIS 8 57.938 10.958 0.445 60 HB3 HIS 8 HB1 HIS 8 58.345 12.680 0.643 61 HD1 HIS 8 HD1 HIS 8 55.409 12.339 2.589 62 HD2 HIS 8 HD2 HIS 8 59.363 11.024 3.149 63 HE1 HIS 8 HE1 HIS 8 55.732 11.940 5.092 64 H GLY 9 HN GLY 9 54.039 13.499 -0.105 65 HA2 GLY 9 HA1 GLY 9 54.469 15.652 1.786 66 HA3 GLY 9 HA2 GLY 9 54.741 16.189 0.117 67 H ARG 10 HN ARG 10 52.679 13.955 -0.612 68 HA ARG 10 HA ARG 10 50.168 14.819 0.497 69 HB2 ARG 10 HB2 ARG 10 49.311 15.967 -1.593 70 HB3 ARG 10 HB1 ARG 10 50.508 16.902 -0.664 71 HG2 ARG 10 HG2 ARG 10 52.297 16.195 -2.187 72 HG3 ARG 10 HG1 ARG 10 51.159 15.160 -3.082 73 HD2 ARG 10 HD2 ARG 10 50.965 18.192 -2.803 74 HD3 ARG 10 HD1 ARG 10 51.498 17.313 -4.255 75 HE ARG 10 HE ARG 10 48.926 16.327 -3.525 76 HH11 ARG 10 HH11 ARG 10 49.009 19.462 -3.154 77 HH12 ARG 10 HH12 ARG 10 48.280 19.937 -4.650 78 HH21 ARG 10 HH21 ARG 10 48.613 16.811 -6.112 79 HH22 ARG 10 HH22 ARG 10 48.055 18.437 -6.326 80 H HIS 11 HN HIS 11 51.934 12.547 -0.666 81 HA HIS 11 HA HIS 11 49.656 11.009 -1.680 82 HB2 HIS 11 HB2 HIS 11 51.996 11.681 -3.507 83 HB3 HIS 11 HB1 HIS 11 50.869 10.335 -3.800 84 HD1 HIS 11 HD1 HIS 11 48.157 11.428 -3.263 85 HD2 HIS 11 HD2 HIS 11 51.139 13.788 -5.060 86 HE1 HIS 11 HE1 HIS 11 46.979 13.298 -4.547 87 H ALA 12 HN ALA 12 49.843 8.953 -1.650 88 HA ALA 12 HA ALA 12 50.543 6.877 -1.012 89 HB1 ALA 12 HB1 ALA 12 52.841 6.426 -0.878 90 HB2 ALA 12 HB2 ALA 12 53.124 8.127 -0.506 91 HB3 ALA 12 HB3 ALA 12 52.665 7.660 -2.146 92 H ALA 13 HN ALA 13 51.713 9.757 0.654 93 HA ALA 13 HA ALA 13 51.799 8.463 3.278 94 HB1 ALA 13 HB1 ALA 13 50.990 11.327 2.510 95 HB2 ALA 13 HB2 ALA 13 52.673 10.851 2.838 96 HB3 ALA 13 HB3 ALA 13 51.451 10.754 4.129 97 H LYS 14 HN LYS 14 50.308 8.575 0.468 98 HA LYS 14 HA LYS 14 47.403 8.370 1.611 99 HB2 LYS 14 HB2 LYS 14 48.191 10.094 -0.202 100 HB3 LYS 14 HB1 LYS 14 48.422 8.638 -1.240 101 HG2 LYS 14 HG2 LYS 14 46.129 8.414 -1.583 102 HG3 LYS 14 HG1 LYS 14 45.712 8.846 0.091 103 HD2 LYS 14 HD2 LYS 14 46.001 11.224 -0.410 104 HD3 LYS 14 HD1 LYS 14 46.572 10.841 -2.053 105 HE2 LYS 14 HE2 LYS 14 43.836 10.016 -0.996 106 HE3 LYS 14 HE1 LYS 14 44.123 11.520 -1.905 107 HZ1 LYS 14 HZ1 LYS 14 43.958 8.814 -2.851 108 HZ2 LYS 14 HZ2 LYS 14 45.359 9.604 -3.396 109 HZ3 LYS 14 HZ3 LYS 14 43.828 10.271 -3.709 110 H HIS 15 HN HIS 15 46.206 7.153 -0.383 111 HA HIS 15 HA HIS 15 45.614 4.944 -0.886 112 HB2 HIS 15 HB2 HIS 15 48.291 5.288 -2.287 113 HB3 HIS 15 HB1 HIS 15 47.056 4.077 -2.705 114 HD1 HIS 15 HD1 HIS 15 48.196 7.140 -3.950 115 HD2 HIS 15 HD2 HIS 15 44.361 5.737 -2.939 116 HE1 HIS 15 HE1 HIS 15 46.500 8.606 -5.177 117 H ILE 16 HN ILE 16 47.482 5.301 1.529 118 HA ILE 16 HA ILE 16 47.586 2.757 2.365 119 HB ILE 16 HB ILE 16 49.164 1.986 0.759 120 HG12 ILE 16 HG12 ILE 16 51.010 2.706 3.064 121 HG13 ILE 16 HG11 ILE 16 49.671 1.564 3.307 122 HG21 ILE 16 HG21 ILE 16 50.641 4.579 1.372 123 HG22 ILE 16 HG22 ILE 16 49.956 4.099 -0.191 124 HG23 ILE 16 HG23 ILE 16 51.381 3.264 0.456 125 HD11 ILE 16 HD1 ILE 16 51.561 0.211 2.775 126 HD12 ILE 16 HD2 ILE 16 52.065 1.277 1.448 127 HD13 ILE 16 HD3 ILE 16 50.611 0.267 1.275 128 H GLY 17 HN GLY 17 49.262 5.611 2.226 129 HA2 GLY 17 HA1 GLY 17 49.916 5.562 5.097 130 HA3 GLY 17 HA2 GLY 17 50.135 6.931 3.990 131 H HIS 18 HN HIS 18 47.309 6.010 2.943 132 HA HIS 18 HA HIS 18 45.802 7.761 4.891 133 HB2 HIS 18 HB2 HIS 18 45.520 7.007 1.999 134 HB3 HIS 18 HB1 HIS 18 43.996 7.185 2.893 135 HD1 HIS 18 HD1 HIS 18 47.011 9.275 3.817 136 HD2 HIS 18 HD2 HIS 18 43.468 9.683 1.589 137 HE1 HIS 18 HE1 HIS 18 46.688 11.766 3.348 138 H ALA 19 HN ALA 19 45.691 4.484 3.356 139 HA ALA 19 HA ALA 19 44.845 3.082 5.611 140 HB1 ALA 19 HB1 ALA 19 42.827 4.176 6.034 141 HB2 ALA 19 HB2 ALA 19 42.255 2.913 4.924 142 HB3 ALA 19 HB3 ALA 19 42.557 4.559 4.317 143 H ALA 20 HN ALA 20 45.835 3.233 2.609 144 HA ALA 20 HA ALA 20 46.064 1.692 0.889 145 HB1 ALA 20 HB1 ALA 20 46.103 -0.619 1.453 146 HB2 ALA 20 HB2 ALA 20 44.963 -0.390 2.800 147 HB3 ALA 20 HB3 ALA 20 46.623 0.240 2.921 148 H VAL 21 HN VAL 21 43.320 2.847 1.974 149 HA VAL 21 HA VAL 21 41.717 1.667 -0.238 150 HB VAL 21 HB VAL 21 40.707 1.794 2.643 151 HG11 VAL 21 HG11 VAL 21 39.430 1.074 -0.024 152 HG12 VAL 21 HG12 VAL 21 38.847 2.203 1.221 153 HG13 VAL 21 HG13 VAL 21 38.772 0.455 1.509 154 HG21 VAL 21 HG21 VAL 21 42.230 -0.084 2.425 155 HG22 VAL 21 HG22 VAL 21 41.519 -0.548 0.861 156 HG23 VAL 21 HG23 VAL 21 40.580 -0.737 2.361 157 H ASN 22 HN ASN 22 42.831 4.147 1.721 158 HA ASN 22 HA ASN 22 42.596 6.456 1.143 159 HB2 ASN 22 HB2 ASN 22 40.929 5.855 -0.736 160 HB3 ASN 22 HB1 ASN 22 39.656 6.022 0.502 161 HD21 ASN 22 HD21 ASN 22 42.328 7.809 -1.144 162 HD22 ASN 22 HD22 ASN 22 41.654 9.408 -0.815 163 H HIS 23 HN HIS 23 40.146 4.502 2.756 164 HA HIS 23 HA HIS 23 40.521 5.847 5.263 165 HB2 HIS 23 HB2 HIS 23 38.178 6.843 5.401 166 HB3 HIS 23 HB1 HIS 23 39.327 7.720 4.363 167 HD1 HIS 23 HD1 HIS 23 38.585 4.757 2.533 168 HD2 HIS 23 HD2 HIS 23 36.529 8.360 3.213 169 HE1 HIS 23 HE1 HIS 23 36.792 4.963 0.724 170 H TYR 24 HN TYR 24 38.569 5.274 6.798 171 HA TYR 24 HA TYR 24 37.493 3.505 7.847 172 HB2 TYR 24 HB2 TYR 24 36.659 2.892 4.982 173 HB3 TYR 24 HB1 TYR 24 35.913 2.201 6.443 174 HD1 TYR 24 HD1 TYR 24 35.927 5.002 4.159 175 HD2 TYR 24 HD2 TYR 24 34.973 3.848 8.209 176 HE1 TYR 24 HE1 TYR 24 34.474 7.013 4.389 177 HE2 TYR 24 HE2 TYR 24 33.519 5.858 8.437 178 HH TYR 24 HH TYR 24 33.178 8.020 7.439 179 H LEU 25 HN LEU 25 40.273 3.136 6.970 180 HA LEU 25 HA LEU 25 41.836 1.429 6.808 181 HB2 LEU 25 HB2 LEU 25 39.713 -0.445 7.904 182 HB3 LEU 25 HB1 LEU 25 41.473 -0.477 8.171 183 HG LEU 25 HG LEU 25 39.514 1.627 9.195 184 HD11 LEU 25 HD11 LEU 25 41.292 -0.334 10.706 185 HD12 LEU 25 HD12 LEU 25 39.573 -0.627 10.352 186 HD13 LEU 25 HD13 LEU 25 40.048 0.739 11.389 187 HD21 LEU 25 HD21 LEU 25 41.554 2.791 8.711 188 HD22 LEU 25 HD22 LEU 25 42.555 1.432 9.278 189 HD23 LEU 25 HD23 LEU 25 41.635 2.412 10.446 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 68.370 11.240 -1.165 2 H2 GLY 1 HT2 GLY 1 68.046 9.578 -1.319 3 H3 GLY 1 HT3 GLY 1 67.494 10.434 0.042 4 HA2 GLY 1 HA1 GLY 1 66.385 10.195 -2.585 5 HA3 GLY 1 HA2 GLY 1 65.596 10.532 -1.031 6 H TRP 2 HN TRP 2 65.936 11.761 -3.973 7 HA TRP 2 HA TRP 2 66.881 14.426 -3.596 8 HB2 TRP 2 HB2 TRP 2 64.674 13.514 -5.482 9 HB3 TRP 2 HB1 TRP 2 65.720 14.944 -5.659 10 HD1 TRP 2 HD1 TRP 2 68.087 14.606 -6.653 11 HE1 TRP 2 HE1 TRP 2 69.391 12.588 -7.652 12 HE3 TRP 2 HE3 TRP 2 64.952 10.823 -5.212 13 HZ2 TRP 2 HZ2 TRP 2 69.086 9.729 -7.789 14 HZ3 TRP 2 HZ3 TRP 2 65.479 8.459 -5.787 15 HH2 TRP 2 HH2 TRP 2 67.540 7.908 -7.073 16 H GLY 3 HN GLY 3 64.198 12.859 -2.251 17 HA2 GLY 3 HA1 GLY 3 62.541 13.690 -0.859 18 HA3 GLY 3 HA2 GLY 3 63.283 15.297 -0.994 19 H SER 4 HN SER 4 62.842 14.268 -4.095 20 HA SER 4 HA SER 4 61.373 14.999 -5.740 21 HB2 SER 4 HB2 SER 4 59.298 14.253 -3.643 22 HB3 SER 4 HB1 SER 4 59.013 14.423 -5.390 23 HG SER 4 HG SER 4 61.125 12.809 -4.919 24 H ILE 5 HN ILE 5 59.263 16.416 -6.102 25 HA ILE 5 HA ILE 5 59.889 19.015 -4.802 26 HB ILE 5 HB ILE 5 58.260 19.938 -6.473 27 HG12 ILE 5 HG12 ILE 5 58.149 17.023 -7.385 28 HG13 ILE 5 HG11 ILE 5 56.803 17.962 -6.701 29 HG21 ILE 5 HG21 ILE 5 60.767 19.568 -6.909 30 HG22 ILE 5 HG22 ILE 5 59.737 19.724 -8.350 31 HG23 ILE 5 HG23 ILE 5 60.293 18.117 -7.823 32 HD11 ILE 5 HD1 ILE 5 58.174 18.298 -9.388 33 HD12 ILE 5 HD2 ILE 5 57.237 19.627 -8.661 34 HD13 ILE 5 HD3 ILE 5 56.444 18.081 -9.041 35 H PHE 6 HN PHE 6 57.280 16.609 -4.992 36 HA PHE 6 HA PHE 6 56.108 17.691 -2.530 37 HB2 PHE 6 HB2 PHE 6 54.667 17.975 -5.196 38 HB3 PHE 6 HB1 PHE 6 53.812 17.971 -3.636 39 HD1 PHE 6 HD1 PHE 6 55.743 19.962 -5.979 40 HD2 PHE 6 HD2 PHE 6 54.519 19.672 -1.850 41 HE1 PHE 6 HE1 PHE 6 56.295 22.369 -5.646 42 HE2 PHE 6 HE2 PHE 6 55.070 22.079 -1.518 43 HZ PHE 6 HZ PHE 6 56.043 23.402 -3.393 44 H LYS 7 HN LYS 7 56.792 15.253 -4.724 45 HA LYS 7 HA LYS 7 54.638 13.458 -4.537 46 HB2 LYS 7 HB2 LYS 7 56.775 13.145 -5.856 47 HB3 LYS 7 HB1 LYS 7 57.569 12.673 -4.334 48 HG2 LYS 7 HG2 LYS 7 55.916 10.852 -4.028 49 HG3 LYS 7 HG1 LYS 7 55.118 11.322 -5.549 50 HD2 LYS 7 HD2 LYS 7 57.207 10.863 -6.795 51 HD3 LYS 7 HD1 LYS 7 58.014 10.400 -5.276 52 HE2 LYS 7 HE2 LYS 7 56.506 8.526 -4.966 53 HE3 LYS 7 HE1 LYS 7 55.492 9.052 -6.332 54 HZ1 LYS 7 HZ1 LYS 7 57.572 7.298 -6.470 55 HZ2 LYS 7 HZ2 LYS 7 58.262 8.744 -7.035 56 HZ3 LYS 7 HZ3 LYS 7 56.875 8.112 -7.785 57 H HIS 8 HN HIS 8 57.568 13.306 -2.454 58 HA HIS 8 HA HIS 8 56.151 11.683 -0.481 59 HB2 HIS 8 HB2 HIS 8 58.602 11.490 -0.925 60 HB3 HIS 8 HB1 HIS 8 58.825 13.123 -0.252 61 HD1 HIS 8 HD1 HIS 8 58.838 13.393 2.276 62 HD2 HIS 8 HD2 HIS 8 57.583 9.570 1.055 63 HE1 HIS 8 HE1 HIS 8 58.723 11.926 4.364 64 H GLY 9 HN GLY 9 54.348 13.300 -0.280 65 HA2 GLY 9 HA1 GLY 9 54.430 14.566 2.224 66 HA3 GLY 9 HA2 GLY 9 54.846 15.817 1.035 67 H ARG 10 HN ARG 10 53.089 14.010 -0.864 68 HA ARG 10 HA ARG 10 50.389 14.782 0.168 69 HB2 ARG 10 HB2 ARG 10 51.494 15.650 -2.537 70 HB3 ARG 10 HB1 ARG 10 49.820 15.872 -1.974 71 HG2 ARG 10 HG2 ARG 10 50.716 17.194 -0.024 72 HG3 ARG 10 HG1 ARG 10 52.338 17.079 -0.749 73 HD2 ARG 10 HD2 ARG 10 51.229 19.216 -1.357 74 HD3 ARG 10 HD1 ARG 10 51.522 18.203 -2.791 75 HE ARG 10 HE ARG 10 48.924 17.570 -1.882 76 HH11 ARG 10 HH11 ARG 10 47.115 18.972 -2.203 77 HH12 ARG 10 HH12 ARG 10 47.310 20.318 -3.275 78 HH21 ARG 10 HH21 ARG 10 50.732 19.881 -3.630 79 HH22 ARG 10 HH22 ARG 10 49.357 20.833 -4.083 80 H HIS 11 HN HIS 11 52.291 12.408 -0.779 81 HA HIS 11 HA HIS 11 50.036 10.829 -1.831 82 HB2 HIS 11 HB2 HIS 11 52.584 11.156 -3.471 83 HB3 HIS 11 HB1 HIS 11 51.243 10.041 -3.830 84 HD1 HIS 11 HD1 HIS 11 52.266 13.659 -3.983 85 HD2 HIS 11 HD2 HIS 11 48.889 11.307 -4.840 86 HE1 HIS 11 HE1 HIS 11 50.623 15.127 -5.278 87 H ALA 12 HN ALA 12 50.156 8.791 -1.630 88 HA ALA 12 HA ALA 12 50.744 6.749 -0.799 89 HB1 ALA 12 HB1 ALA 12 52.999 6.258 -0.401 90 HB2 ALA 12 HB2 ALA 12 53.297 7.972 -0.122 91 HB3 ALA 12 HB3 ALA 12 52.993 7.397 -1.764 92 H ALA 13 HN ALA 13 51.816 9.725 0.741 93 HA ALA 13 HA ALA 13 51.600 8.655 3.458 94 HB1 ALA 13 HB1 ALA 13 50.916 11.133 3.891 95 HB2 ALA 13 HB2 ALA 13 51.304 11.431 2.179 96 HB3 ALA 13 HB3 ALA 13 52.577 10.894 3.301 97 H LYS 14 HN LYS 14 50.403 8.528 0.523 98 HA LYS 14 HA LYS 14 47.397 8.490 1.385 99 HB2 LYS 14 HB2 LYS 14 48.400 10.055 -0.462 100 HB3 LYS 14 HB1 LYS 14 48.698 8.524 -1.363 101 HG2 LYS 14 HG2 LYS 14 46.445 8.300 -1.911 102 HG3 LYS 14 HG1 LYS 14 45.877 8.913 -0.343 103 HD2 LYS 14 HD2 LYS 14 46.297 11.217 -1.039 104 HD3 LYS 14 HD1 LYS 14 47.031 10.656 -2.562 105 HE2 LYS 14 HE2 LYS 14 44.580 11.415 -2.700 106 HE3 LYS 14 HE1 LYS 14 44.942 9.807 -3.372 107 HZ1 LYS 14 HZ1 LYS 14 44.155 8.785 -1.373 108 HZ2 LYS 14 HZ2 LYS 14 42.958 9.864 -1.913 109 HZ3 LYS 14 HZ3 LYS 14 43.956 10.284 -0.604 110 H HIS 15 HN HIS 15 46.362 7.165 -0.613 111 HA HIS 15 HA HIS 15 45.739 4.928 -0.964 112 HB2 HIS 15 HB2 HIS 15 48.478 5.190 -2.248 113 HB3 HIS 15 HB1 HIS 15 47.295 3.916 -2.627 114 HD1 HIS 15 HD1 HIS 15 44.673 5.350 -2.832 115 HD2 HIS 15 HD2 HIS 15 48.244 7.026 -4.295 116 HE1 HIS 15 HE1 HIS 15 44.033 7.092 -4.589 117 H ILE 16 HN ILE 16 47.239 5.347 1.587 118 HA ILE 16 HA ILE 16 47.354 2.891 2.570 119 HB ILE 16 HB ILE 16 49.066 2.024 1.104 120 HG12 ILE 16 HG12 ILE 16 50.520 2.824 3.660 121 HG13 ILE 16 HG11 ILE 16 49.329 1.511 3.561 122 HG21 ILE 16 HG21 ILE 16 51.342 3.257 1.012 123 HG22 ILE 16 HG22 ILE 16 50.508 4.624 1.755 124 HG23 ILE 16 HG23 ILE 16 50.016 4.058 0.148 125 HD11 ILE 16 HD1 ILE 16 51.269 0.270 3.220 126 HD12 ILE 16 HD2 ILE 16 52.138 1.626 2.472 127 HD13 ILE 16 HD3 ILE 16 50.936 0.712 1.531 128 H GLY 17 HN GLY 17 48.862 5.827 2.339 129 HA2 GLY 17 HA1 GLY 17 49.306 5.946 5.274 130 HA3 GLY 17 HA2 GLY 17 49.658 7.228 4.100 131 H HIS 18 HN HIS 18 47.019 6.183 2.769 132 HA HIS 18 HA HIS 18 45.245 8.117 4.219 133 HB2 HIS 18 HB2 HIS 18 45.219 8.138 1.759 134 HB3 HIS 18 HB1 HIS 18 44.755 6.426 1.727 135 HD1 HIS 18 HD1 HIS 18 43.201 8.302 4.497 136 HD2 HIS 18 HD2 HIS 18 42.322 7.631 0.443 137 HE1 HIS 18 HE1 HIS 18 40.733 8.861 4.151 138 H ALA 19 HN ALA 19 45.489 4.574 3.500 139 HA ALA 19 HA ALA 19 43.593 4.171 5.813 140 HB1 ALA 19 HB1 ALA 19 42.188 2.619 4.425 141 HB2 ALA 19 HB2 ALA 19 43.029 3.244 2.985 142 HB3 ALA 19 HB3 ALA 19 42.052 4.339 3.994 143 H ALA 20 HN ALA 20 46.483 3.507 5.050 144 HA ALA 20 HA ALA 20 47.900 1.685 5.366 145 HB1 ALA 20 HB1 ALA 20 46.619 1.738 7.542 146 HB2 ALA 20 HB2 ALA 20 47.319 0.160 7.107 147 HB3 ALA 20 HB3 ALA 20 45.579 0.458 6.874 148 H VAL 21 HN VAL 21 45.314 1.575 3.384 149 HA VAL 21 HA VAL 21 46.156 -1.032 2.236 150 HB VAL 21 HB VAL 21 43.227 -0.464 2.893 151 HG11 VAL 21 HG11 VAL 21 44.687 -2.811 1.604 152 HG12 VAL 21 HG12 VAL 21 43.477 -1.751 0.843 153 HG13 VAL 21 HG13 VAL 21 42.991 -2.870 2.137 154 HG21 VAL 21 HG21 VAL 21 43.523 -2.499 4.401 155 HG22 VAL 21 HG22 VAL 21 44.359 -1.033 4.959 156 HG23 VAL 21 HG23 VAL 21 45.278 -2.333 4.162 157 H ASN 22 HN ASN 22 44.350 2.008 2.092 158 HA ASN 22 HA ASN 22 45.073 2.724 -0.492 159 HB2 ASN 22 HB2 ASN 22 42.928 0.645 -0.496 160 HB3 ASN 22 HB1 ASN 22 42.551 2.071 -1.482 161 HD21 ASN 22 HD21 ASN 22 42.718 0.429 -3.323 162 HD22 ASN 22 HD22 ASN 22 44.327 0.110 -3.979 163 H HIS 23 HN HIS 23 41.718 2.398 0.708 164 HA HIS 23 HA HIS 23 41.685 5.106 1.796 165 HB2 HIS 23 HB2 HIS 23 40.042 6.022 0.196 166 HB3 HIS 23 HB1 HIS 23 41.582 5.636 -0.612 167 HD1 HIS 23 HD1 HIS 23 40.346 2.412 -0.081 168 HD2 HIS 23 HD2 HIS 23 39.205 5.498 -2.700 169 HE1 HIS 23 HE1 HIS 23 39.002 1.345 -1.976 170 H TYR 24 HN TYR 24 41.004 2.205 2.353 171 HA TYR 24 HA TYR 24 38.250 1.707 2.406 172 HB2 TYR 24 HB2 TYR 24 40.032 0.127 3.156 173 HB3 TYR 24 HB1 TYR 24 40.226 1.093 4.639 174 HD1 TYR 24 HD1 TYR 24 38.496 1.115 6.373 175 HD2 TYR 24 HD2 TYR 24 37.985 -1.182 2.755 176 HE1 TYR 24 HE1 TYR 24 36.588 -0.102 7.415 177 HE2 TYR 24 HE2 TYR 24 36.077 -2.399 3.798 178 HH TYR 24 HH TYR 24 34.757 -2.575 5.601 179 H LEU 25 HN LEU 25 40.117 4.001 4.289 180 HA LEU 25 HA LEU 25 38.445 4.405 6.508 181 HB2 LEU 25 HB2 LEU 25 40.701 5.552 5.751 182 HB3 LEU 25 HB1 LEU 25 39.632 6.771 5.023 183 HG LEU 25 HG LEU 25 39.641 5.902 7.954 184 HD11 LEU 25 HD11 LEU 25 41.580 7.320 7.147 185 HD12 LEU 25 HD12 LEU 25 40.579 8.095 8.398 186 HD13 LEU 25 HD13 LEU 25 40.400 8.573 6.693 187 HD21 LEU 25 HD21 LEU 25 37.879 7.795 6.346 188 HD22 LEU 25 HD22 LEU 25 38.114 8.024 8.096 189 HD23 LEU 25 HD23 LEU 25 37.393 6.517 7.487 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 71.893 15.246 -2.973 2 H2 GLY 1 HT2 GLY 1 70.862 16.172 -3.955 3 H3 GLY 1 HT3 GLY 1 72.052 15.184 -4.659 4 HA2 GLY 1 HA1 GLY 1 70.751 13.463 -4.689 5 HA3 GLY 1 HA2 GLY 1 70.421 13.668 -2.957 6 H TRP 2 HN TRP 2 68.317 12.758 -3.971 7 HA TRP 2 HA TRP 2 66.629 14.485 -5.502 8 HB2 TRP 2 HB2 TRP 2 65.714 12.465 -3.424 9 HB3 TRP 2 HB1 TRP 2 64.838 13.013 -4.873 10 HD1 TRP 2 HD1 TRP 2 67.697 10.755 -3.751 11 HE1 TRP 2 HE1 TRP 2 68.409 9.197 -5.708 12 HE3 TRP 2 HE3 TRP 2 64.908 12.843 -7.501 13 HZ2 TRP 2 HZ2 TRP 2 67.827 8.923 -8.514 14 HZ3 TRP 2 HZ3 TRP 2 65.002 11.917 -9.811 15 HH2 TRP 2 HH2 TRP 2 66.458 9.961 -10.320 16 H GLY 3 HN GLY 3 64.245 14.545 -3.946 17 HA2 GLY 3 HA1 GLY 3 64.666 15.953 -1.466 18 HA3 GLY 3 HA2 GLY 3 64.408 17.100 -2.794 19 H SER 4 HN SER 4 62.879 14.150 -3.418 20 HA SER 4 HA SER 4 60.620 13.636 -3.573 21 HB2 SER 4 HB2 SER 4 59.378 13.704 -1.488 22 HB3 SER 4 HB1 SER 4 61.061 13.254 -1.134 23 HG SER 4 HG SER 4 61.440 15.395 -0.522 24 H ILE 5 HN ILE 5 59.757 14.846 -5.185 25 HA ILE 5 HA ILE 5 59.222 17.683 -4.882 26 HB ILE 5 HB ILE 5 57.916 15.816 -6.905 27 HG12 ILE 5 HG12 ILE 5 60.688 17.098 -6.961 28 HG13 ILE 5 HG11 ILE 5 60.333 15.357 -6.892 29 HG21 ILE 5 HG21 ILE 5 58.855 18.697 -7.217 30 HG22 ILE 5 HG22 ILE 5 57.224 18.285 -6.634 31 HG23 ILE 5 HG23 ILE 5 57.740 17.783 -8.260 32 HD11 ILE 5 HD1 ILE 5 58.992 15.744 -9.092 33 HD12 ILE 5 HD2 ILE 5 60.769 15.765 -9.190 34 HD13 ILE 5 HD3 ILE 5 59.862 17.295 -9.181 35 H PHE 6 HN PHE 6 58.093 17.438 -2.756 36 HA PHE 6 HA PHE 6 56.138 17.402 -1.502 37 HB2 PHE 6 HB2 PHE 6 55.044 18.131 -4.246 38 HB3 PHE 6 HB1 PHE 6 54.055 18.143 -2.766 39 HD1 PHE 6 HD1 PHE 6 56.918 19.722 -4.529 40 HD2 PHE 6 HD2 PHE 6 54.404 19.811 -1.021 41 HE1 PHE 6 HE1 PHE 6 57.803 21.978 -3.952 42 HE2 PHE 6 HE2 PHE 6 55.290 22.068 -0.444 43 HZ PHE 6 HZ PHE 6 57.048 23.114 -1.865 44 H LYS 7 HN LYS 7 57.074 14.917 -3.007 45 HA LYS 7 HA LYS 7 54.665 13.438 -3.671 46 HB2 LYS 7 HB2 LYS 7 57.470 12.487 -2.964 47 HB3 LYS 7 HB1 LYS 7 56.180 11.469 -3.647 48 HG2 LYS 7 HG2 LYS 7 56.061 12.980 -5.627 49 HG3 LYS 7 HG1 LYS 7 57.398 13.942 -4.953 50 HD2 LYS 7 HD2 LYS 7 58.920 12.066 -5.093 51 HD3 LYS 7 HD1 LYS 7 57.595 10.955 -5.515 52 HE2 LYS 7 HE2 LYS 7 58.527 13.320 -7.199 53 HE3 LYS 7 HE1 LYS 7 58.884 11.608 -7.529 54 HZ1 LYS 7 HZ1 LYS 7 56.450 13.108 -7.967 55 HZ2 LYS 7 HZ2 LYS 7 56.207 11.595 -7.234 56 HZ3 LYS 7 HZ3 LYS 7 57.011 11.699 -8.726 57 H HIS 8 HN HIS 8 56.968 13.221 -0.914 58 HA HIS 8 HA HIS 8 55.185 11.482 0.589 59 HB2 HIS 8 HB2 HIS 8 57.555 13.137 1.548 60 HB3 HIS 8 HB1 HIS 8 56.801 11.770 2.405 61 HD1 HIS 8 HD1 HIS 8 59.837 12.044 1.117 62 HD2 HIS 8 HD2 HIS 8 56.596 9.831 -0.393 63 HE1 HIS 8 HE1 HIS 8 60.801 10.171 -0.328 64 H GLY 9 HN GLY 9 53.219 12.774 0.415 65 HA2 GLY 9 HA1 GLY 9 52.539 14.077 2.791 66 HA3 GLY 9 HA2 GLY 9 53.065 15.365 1.690 67 H ARG 10 HN ARG 10 52.175 14.517 -0.745 68 HA ARG 10 HA ARG 10 49.196 14.657 -0.369 69 HB2 ARG 10 HB2 ARG 10 50.950 15.306 -2.776 70 HB3 ARG 10 HB1 ARG 10 49.182 15.498 -2.693 71 HG2 ARG 10 HG2 ARG 10 49.368 17.152 -0.935 72 HG3 ARG 10 HG1 ARG 10 51.113 16.847 -0.763 73 HD2 ARG 10 HD2 ARG 10 51.539 17.718 -3.003 74 HD3 ARG 10 HD1 ARG 10 49.793 17.893 -3.303 75 HE ARG 10 HE ARG 10 50.285 19.406 -1.003 76 HH11 ARG 10 HH11 ARG 10 52.366 20.853 -1.194 77 HH12 ARG 10 HH12 ARG 10 52.334 21.840 -2.618 78 HH21 ARG 10 HH21 ARG 10 49.840 19.993 -4.163 79 HH22 ARG 10 HH22 ARG 10 50.904 21.353 -4.298 80 H HIS 11 HN HIS 11 51.553 12.409 -0.820 81 HA HIS 11 HA HIS 11 49.624 10.485 -1.937 82 HB2 HIS 11 HB2 HIS 11 52.245 11.077 -3.376 83 HB3 HIS 11 HB1 HIS 11 51.163 9.708 -3.728 84 HD1 HIS 11 HD1 HIS 11 51.729 13.288 -4.469 85 HD2 HIS 11 HD2 HIS 11 48.538 10.561 -4.741 86 HE1 HIS 11 HE1 HIS 11 49.943 14.351 -5.955 87 H ALA 12 HN ALA 12 49.957 8.509 -1.496 88 HA ALA 12 HA ALA 12 50.716 6.641 -0.416 89 HB1 ALA 12 HB1 ALA 12 52.941 7.482 -1.296 90 HB2 ALA 12 HB2 ALA 12 52.974 6.476 0.174 91 HB3 ALA 12 HB3 ALA 12 53.050 8.234 0.285 92 H ALA 13 HN ALA 13 51.297 9.870 0.877 93 HA ALA 13 HA ALA 13 51.004 9.027 3.668 94 HB1 ALA 13 HB1 ALA 13 50.312 11.619 2.158 95 HB2 ALA 13 HB2 ALA 13 51.734 11.371 3.199 96 HB3 ALA 13 HB3 ALA 13 50.103 11.397 3.911 97 H LYS 14 HN LYS 14 50.069 8.499 0.675 98 HA LYS 14 HA LYS 14 47.030 8.140 1.323 99 HB2 LYS 14 HB2 LYS 14 47.978 9.643 -0.602 100 HB3 LYS 14 HB1 LYS 14 48.534 8.084 -1.317 101 HG2 LYS 14 HG2 LYS 14 46.379 7.531 -2.006 102 HG3 LYS 14 HG1 LYS 14 45.618 8.144 -0.520 103 HD2 LYS 14 HD2 LYS 14 45.703 10.427 -1.343 104 HD3 LYS 14 HD1 LYS 14 46.682 9.935 -2.747 105 HE2 LYS 14 HE2 LYS 14 44.829 8.562 -3.596 106 HE3 LYS 14 HE1 LYS 14 43.851 8.959 -2.162 107 HZ1 LYS 14 HZ1 LYS 14 43.332 10.954 -2.992 108 HZ2 LYS 14 HZ2 LYS 14 43.855 10.346 -4.489 109 HZ3 LYS 14 HZ3 LYS 14 44.910 11.269 -3.530 110 H HIS 15 HN HIS 15 46.353 6.475 -0.615 111 HA HIS 15 HA HIS 15 46.081 4.154 -0.799 112 HB2 HIS 15 HB2 HIS 15 48.969 4.421 -1.702 113 HB3 HIS 15 HB1 HIS 15 47.760 3.241 -2.263 114 HD1 HIS 15 HD1 HIS 15 49.255 6.367 -3.223 115 HD2 HIS 15 HD2 HIS 15 45.392 4.729 -3.484 116 HE1 HIS 15 HE1 HIS 15 47.966 7.731 -4.955 117 H ILE 16 HN ILE 16 47.370 5.120 1.800 118 HA ILE 16 HA ILE 16 47.571 2.786 3.091 119 HB ILE 16 HB ILE 16 49.502 1.973 1.963 120 HG12 ILE 16 HG12 ILE 16 50.827 3.272 4.367 121 HG13 ILE 16 HG11 ILE 16 49.523 2.092 4.617 122 HG21 ILE 16 HG21 ILE 16 50.576 4.797 2.344 123 HG22 ILE 16 HG22 ILE 16 50.264 3.990 0.797 124 HG23 ILE 16 HG23 ILE 16 51.604 3.457 1.831 125 HD11 ILE 16 HD1 ILE 16 51.633 0.902 4.687 126 HD12 ILE 16 HD2 ILE 16 52.159 1.624 3.150 127 HD13 ILE 16 HD3 ILE 16 50.814 0.460 3.172 128 H GLY 17 HN GLY 17 48.972 5.766 2.738 129 HA2 GLY 17 HA1 GLY 17 49.042 6.264 5.639 130 HA3 GLY 17 HA2 GLY 17 49.348 7.453 4.357 131 H HIS 18 HN HIS 18 46.875 6.025 3.016 132 HA HIS 18 HA HIS 18 44.862 7.860 4.328 133 HB2 HIS 18 HB2 HIS 18 45.219 6.656 1.599 134 HB3 HIS 18 HB1 HIS 18 43.542 6.802 2.161 135 HD1 HIS 18 HD1 HIS 18 46.134 9.320 3.267 136 HD2 HIS 18 HD2 HIS 18 42.979 9.036 0.504 137 HE1 HIS 18 HE1 HIS 18 45.726 11.663 2.334 138 H ALA 19 HN ALA 19 45.363 4.404 3.381 139 HA ALA 19 HA ALA 19 44.165 3.294 5.657 140 HB1 ALA 19 HB1 ALA 19 42.121 4.166 3.610 141 HB2 ALA 19 HB2 ALA 19 42.012 4.173 5.388 142 HB3 ALA 19 HB3 ALA 19 41.847 2.647 4.496 143 H ALA 20 HN ALA 20 45.729 3.106 2.852 144 HA ALA 20 HA ALA 20 46.491 1.338 1.551 145 HB1 ALA 20 HB1 ALA 20 46.814 0.371 3.912 146 HB2 ALA 20 HB2 ALA 20 46.734 -0.793 2.568 147 HB3 ALA 20 HB3 ALA 20 45.319 -0.547 3.619 148 H VAL 21 HN VAL 21 43.500 2.237 1.933 149 HA VAL 21 HA VAL 21 42.455 0.481 -0.226 150 HB VAL 21 HB VAL 21 40.941 0.984 2.378 151 HG11 VAL 21 HG11 VAL 21 39.394 -0.799 1.256 152 HG12 VAL 21 HG12 VAL 21 40.251 -0.393 -0.248 153 HG13 VAL 21 HG13 VAL 21 39.335 0.858 0.624 154 HG21 VAL 21 HG21 VAL 21 42.670 -0.674 2.786 155 HG22 VAL 21 HG22 VAL 21 42.300 -1.513 1.263 156 HG23 VAL 21 HG23 VAL 21 41.135 -1.548 2.608 157 H ASN 22 HN ASN 22 42.975 3.373 1.352 158 HA ASN 22 HA ASN 22 42.620 5.519 0.401 159 HB2 ASN 22 HB2 ASN 22 39.997 4.580 -0.810 160 HB3 ASN 22 HB1 ASN 22 40.916 6.057 -1.167 161 HD21 ASN 22 HD21 ASN 22 40.106 3.627 -2.928 162 HD22 ASN 22 HD22 ASN 22 41.636 3.145 -3.669 163 H HIS 23 HN HIS 23 40.039 3.526 1.732 164 HA HIS 23 HA HIS 23 39.656 5.331 3.950 165 HB2 HIS 23 HB2 HIS 23 38.474 6.506 1.945 166 HB3 HIS 23 HB1 HIS 23 37.256 5.218 2.083 167 HD1 HIS 23 HD1 HIS 23 39.087 6.868 5.008 168 HD2 HIS 23 HD2 HIS 23 35.228 6.681 3.342 169 HE1 HIS 23 HE1 HIS 23 37.501 8.056 6.622 170 H TYR 24 HN TYR 24 36.980 4.676 4.597 171 HA TYR 24 HA TYR 24 35.826 2.965 5.652 172 HB2 TYR 24 HB2 TYR 24 35.509 2.306 3.241 173 HB3 TYR 24 HB1 TYR 24 36.909 1.219 3.408 174 HD1 TYR 24 HD1 TYR 24 36.660 -0.939 4.403 175 HD2 TYR 24 HD2 TYR 24 33.527 1.999 4.840 176 HE1 TYR 24 HE1 TYR 24 35.179 -2.667 5.416 177 HE2 TYR 24 HE2 TYR 24 32.048 0.270 5.853 178 HH TYR 24 HH TYR 24 32.551 -1.902 7.242 179 H LEU 25 HN LEU 25 38.970 3.293 5.839 180 HA LEU 25 HA LEU 25 40.626 2.339 7.137 181 HB2 LEU 25 HB2 LEU 25 38.489 2.269 8.700 182 HB3 LEU 25 HB1 LEU 25 38.588 0.514 8.448 183 HG LEU 25 HG LEU 25 40.843 2.287 9.500 184 HD11 LEU 25 HD11 LEU 25 39.107 0.218 10.919 185 HD12 LEU 25 HD12 LEU 25 38.927 1.983 11.075 186 HD13 LEU 25 HD13 LEU 25 40.410 1.185 11.651 187 HD21 LEU 25 HD21 LEU 25 41.783 -0.071 10.090 188 HD22 LEU 25 HD22 LEU 25 41.880 0.449 8.395 189 HD23 LEU 25 HD23 LEU 25 40.610 -0.690 8.903 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 68.272 19.568 0.985 2 H2 GLY 1 HT2 GLY 1 66.800 20.106 0.329 3 H3 GLY 1 HT3 GLY 1 67.271 18.483 0.153 4 HA2 GLY 1 HA1 GLY 1 67.319 19.070 2.852 5 HA3 GLY 1 HA2 GLY 1 65.791 19.678 2.183 6 H TRP 2 HN TRP 2 64.243 18.261 2.616 7 HA TRP 2 HA TRP 2 64.695 15.468 3.050 8 HB2 TRP 2 HB2 TRP 2 62.060 16.658 2.123 9 HB3 TRP 2 HB1 TRP 2 62.335 15.277 3.213 10 HD1 TRP 2 HD1 TRP 2 63.480 15.899 5.638 11 HE1 TRP 2 HE1 TRP 2 63.163 17.993 7.149 12 HE3 TRP 2 HE3 TRP 2 61.584 19.132 2.150 13 HZ2 TRP 2 HZ2 TRP 2 62.211 20.694 6.850 14 HZ3 TRP 2 HZ3 TRP 2 60.979 21.463 2.784 15 HH2 TRP 2 HH2 TRP 2 61.291 22.246 5.129 16 H GLY 3 HN GLY 3 64.455 17.346 0.172 17 HA2 GLY 3 HA1 GLY 3 64.810 16.647 -2.024 18 HA3 GLY 3 HA2 GLY 3 64.869 14.961 -1.472 19 H SER 4 HN SER 4 62.184 15.900 -0.035 20 HA SER 4 HA SER 4 60.465 14.903 -2.258 21 HB2 SER 4 HB2 SER 4 59.752 15.516 0.635 22 HB3 SER 4 HB1 SER 4 58.777 14.606 -0.541 23 HG SER 4 HG SER 4 59.856 12.942 0.153 24 H ILE 5 HN ILE 5 60.014 16.521 -3.667 25 HA ILE 5 HA ILE 5 59.610 19.261 -2.878 26 HB ILE 5 HB ILE 5 58.441 17.941 -5.363 27 HG12 ILE 5 HG12 ILE 5 61.280 18.946 -4.853 28 HG13 ILE 5 HG11 ILE 5 60.800 17.257 -5.145 29 HG21 ILE 5 HG21 ILE 5 57.900 20.372 -4.706 30 HG22 ILE 5 HG22 ILE 5 58.598 20.132 -6.322 31 HG23 ILE 5 HG23 ILE 5 59.621 20.724 -4.991 32 HD11 ILE 5 HD1 ILE 5 60.771 19.597 -7.081 33 HD12 ILE 5 HD2 ILE 5 59.786 18.142 -7.378 34 HD13 ILE 5 HD3 ILE 5 61.558 18.013 -7.264 35 H PHE 6 HN PHE 6 57.390 16.538 -3.524 36 HA PHE 6 HA PHE 6 55.406 17.646 -1.716 37 HB2 PHE 6 HB2 PHE 6 53.623 18.041 -3.351 38 HB3 PHE 6 HB1 PHE 6 55.007 19.109 -3.683 39 HD1 PHE 6 HD1 PHE 6 56.289 18.902 -5.720 40 HD2 PHE 6 HD2 PHE 6 53.266 15.981 -4.742 41 HE1 PHE 6 HE1 PHE 6 56.455 17.959 -8.021 42 HE2 PHE 6 HE2 PHE 6 53.433 15.038 -7.042 43 HZ PHE 6 HZ PHE 6 54.960 16.087 -8.708 44 H LYS 7 HN LYS 7 56.824 15.240 -3.600 45 HA LYS 7 HA LYS 7 54.764 13.359 -4.010 46 HB2 LYS 7 HB2 LYS 7 57.626 12.806 -3.125 47 HB3 LYS 7 HB1 LYS 7 56.531 11.656 -3.928 48 HG2 LYS 7 HG2 LYS 7 56.394 13.169 -5.895 49 HG3 LYS 7 HG1 LYS 7 57.515 14.297 -5.096 50 HD2 LYS 7 HD2 LYS 7 59.297 12.663 -5.114 51 HD3 LYS 7 HD1 LYS 7 58.189 11.381 -5.660 52 HE2 LYS 7 HE2 LYS 7 58.789 13.908 -7.257 53 HE3 LYS 7 HE1 LYS 7 59.614 12.351 -7.508 54 HZ1 LYS 7 HZ1 LYS 7 57.030 13.189 -8.379 55 HZ2 LYS 7 HZ2 LYS 7 56.927 11.757 -7.469 56 HZ3 LYS 7 HZ3 LYS 7 57.931 11.827 -8.839 57 H HIS 8 HN HIS 8 57.078 13.286 -1.257 58 HA HIS 8 HA HIS 8 55.199 11.637 0.301 59 HB2 HIS 8 HB2 HIS 8 57.906 12.862 0.957 60 HB3 HIS 8 HB1 HIS 8 56.992 11.791 2.046 61 HD1 HIS 8 HD1 HIS 8 59.189 11.811 -0.972 62 HD2 HIS 8 HD2 HIS 8 56.665 9.084 1.001 63 HE1 HIS 8 HE1 HIS 8 59.731 9.482 -1.873 64 H GLY 9 HN GLY 9 53.554 13.496 0.027 65 HA2 GLY 9 HA1 GLY 9 53.300 14.765 2.601 66 HA3 GLY 9 HA2 GLY 9 53.792 15.949 1.374 67 H ARG 10 HN ARG 10 52.335 14.205 -0.681 68 HA ARG 10 HA ARG 10 49.497 14.846 0.079 69 HB2 ARG 10 HB2 ARG 10 50.908 15.670 -2.494 70 HB3 ARG 10 HB1 ARG 10 49.154 15.778 -2.213 71 HG2 ARG 10 HG2 ARG 10 49.524 17.303 -0.319 72 HG3 ARG 10 HG1 ARG 10 51.287 17.157 -0.523 73 HD2 ARG 10 HD2 ARG 10 51.030 18.055 -2.864 74 HD3 ARG 10 HD1 ARG 10 49.307 18.335 -2.521 75 HE ARG 10 HE ARG 10 50.745 19.611 -0.455 76 HH11 ARG 10 HH11 ARG 10 52.803 20.632 -1.984 77 HH12 ARG 10 HH12 ARG 10 52.135 21.923 -2.928 78 HH21 ARG 10 HH21 ARG 10 48.852 20.893 -2.493 79 HH22 ARG 10 HH22 ARG 10 49.898 22.069 -3.215 80 H HIS 11 HN HIS 11 51.632 12.544 -0.672 81 HA HIS 11 HA HIS 11 49.528 10.803 -1.777 82 HB2 HIS 11 HB2 HIS 11 52.151 10.999 -3.298 83 HB3 HIS 11 HB1 HIS 11 50.668 10.131 -3.763 84 HD1 HIS 11 HD1 HIS 11 52.232 13.567 -3.633 85 HD2 HIS 11 HD2 HIS 11 48.641 11.777 -4.892 86 HE1 HIS 11 HE1 HIS 11 50.938 15.316 -4.973 87 H ALA 12 HN ALA 12 49.771 8.774 -1.533 88 HA ALA 12 HA ALA 12 50.436 6.797 -0.619 89 HB1 ALA 12 HB1 ALA 12 52.893 8.182 0.100 90 HB2 ALA 12 HB2 ALA 12 52.662 7.559 -1.536 91 HB3 ALA 12 HB3 ALA 12 52.708 6.455 -0.139 92 H ALA 13 HN ALA 13 51.274 9.859 0.915 93 HA ALA 13 HA ALA 13 51.055 8.798 3.635 94 HB1 ALA 13 HB1 ALA 13 51.876 11.101 3.481 95 HB2 ALA 13 HB2 ALA 13 50.187 11.222 4.030 96 HB3 ALA 13 HB3 ALA 13 50.594 11.537 2.325 97 H LYS 14 HN LYS 14 49.956 8.595 0.655 98 HA LYS 14 HA LYS 14 46.931 8.351 1.421 99 HB2 LYS 14 HB2 LYS 14 47.892 9.959 -0.419 100 HB3 LYS 14 HB1 LYS 14 48.308 8.435 -1.289 101 HG2 LYS 14 HG2 LYS 14 46.094 8.098 -1.925 102 HG3 LYS 14 HG1 LYS 14 45.445 8.561 -0.339 103 HD2 LYS 14 HD2 LYS 14 44.628 10.165 -1.931 104 HD3 LYS 14 HD1 LYS 14 45.885 10.993 -0.987 105 HE2 LYS 14 HE2 LYS 14 47.517 10.246 -2.870 106 HE3 LYS 14 HE1 LYS 14 46.050 9.901 -3.817 107 HZ1 LYS 14 HZ1 LYS 14 46.257 12.060 -4.364 108 HZ2 LYS 14 HZ2 LYS 14 47.180 12.453 -2.992 109 HZ3 LYS 14 HZ3 LYS 14 45.489 12.333 -2.877 110 H HIS 15 HN HIS 15 46.069 6.896 -0.623 111 HA HIS 15 HA HIS 15 45.651 4.623 -1.003 112 HB2 HIS 15 HB2 HIS 15 47.068 5.462 -2.871 113 HB3 HIS 15 HB1 HIS 15 48.511 4.892 -2.001 114 HD1 HIS 15 HD1 HIS 15 45.126 3.426 -3.127 115 HD2 HIS 15 HD2 HIS 15 49.139 2.280 -2.621 116 HE1 HIS 15 HE1 HIS 15 45.346 1.026 -3.975 117 H ILE 16 HN ILE 16 47.150 5.287 1.613 118 HA ILE 16 HA ILE 16 47.223 2.824 2.680 119 HB ILE 16 HB ILE 16 49.051 1.996 1.401 120 HG12 ILE 16 HG12 ILE 16 50.463 3.061 3.876 121 HG13 ILE 16 HG11 ILE 16 49.214 1.803 3.992 122 HG21 ILE 16 HG21 ILE 16 51.222 3.358 1.254 123 HG22 ILE 16 HG22 ILE 16 50.327 4.711 1.947 124 HG23 ILE 16 HG23 ILE 16 49.863 4.070 0.363 125 HD11 ILE 16 HD1 ILE 16 50.641 0.540 2.180 126 HD12 ILE 16 HD2 ILE 16 51.220 0.561 3.859 127 HD13 ILE 16 HD3 ILE 16 51.940 1.656 2.661 128 H GLY 17 HN GLY 17 48.845 5.709 2.523 129 HA2 GLY 17 HA1 GLY 17 49.068 5.961 5.442 130 HA3 GLY 17 HA2 GLY 17 49.390 7.233 4.247 131 H HIS 18 HN HIS 18 46.776 6.099 2.923 132 HA HIS 18 HA HIS 18 44.955 7.962 4.435 133 HB2 HIS 18 HB2 HIS 18 45.122 6.859 1.659 134 HB3 HIS 18 HB1 HIS 18 43.472 6.953 2.305 135 HD1 HIS 18 HD1 HIS 18 46.112 9.467 3.340 136 HD2 HIS 18 HD2 HIS 18 42.745 9.247 0.835 137 HE1 HIS 18 HE1 HIS 18 45.605 11.838 2.536 138 H ALA 19 HN ALA 19 45.200 4.544 3.326 139 HA ALA 19 HA ALA 19 44.237 3.279 5.580 140 HB1 ALA 19 HB1 ALA 19 42.148 4.307 5.799 141 HB2 ALA 19 HB2 ALA 19 41.709 2.926 4.772 142 HB3 ALA 19 HB3 ALA 19 41.960 4.531 4.043 143 H ALA 20 HN ALA 20 45.401 3.290 2.634 144 HA ALA 20 HA ALA 20 45.779 1.667 1.014 145 HB1 ALA 20 HB1 ALA 20 46.383 0.384 3.132 146 HB2 ALA 20 HB2 ALA 20 45.909 -0.612 1.735 147 HB3 ALA 20 HB3 ALA 20 44.755 -0.329 3.062 148 H VAL 21 HN VAL 21 42.974 2.761 1.873 149 HA VAL 21 HA VAL 21 41.466 1.237 -0.205 150 HB VAL 21 HB VAL 21 40.470 1.774 2.632 151 HG11 VAL 21 HG11 VAL 21 38.452 0.382 1.670 152 HG12 VAL 21 HG12 VAL 21 39.081 0.875 0.079 153 HG13 VAL 21 HG13 VAL 21 38.567 2.106 1.258 154 HG21 VAL 21 HG21 VAL 21 40.247 -0.739 2.681 155 HG22 VAL 21 HG22 VAL 21 41.929 -0.190 2.523 156 HG23 VAL 21 HG23 VAL 21 41.057 -0.802 1.098 157 H ASN 22 HN ASN 22 42.527 4.003 1.324 158 HA ASN 22 HA ASN 22 42.297 6.194 0.406 159 HB2 ASN 22 HB2 ASN 22 39.400 5.592 -0.279 160 HB3 ASN 22 HB1 ASN 22 40.374 6.991 -0.767 161 HD21 ASN 22 HD21 ASN 22 42.775 5.858 -1.626 162 HD22 ASN 22 HD22 ASN 22 42.462 4.786 -2.996 163 H HIS 23 HN HIS 23 39.787 4.510 2.223 164 HA HIS 23 HA HIS 23 40.081 6.349 4.445 165 HB2 HIS 23 HB2 HIS 23 38.624 7.647 2.768 166 HB3 HIS 23 HB1 HIS 23 37.365 6.429 3.077 167 HD1 HIS 23 HD1 HIS 23 35.706 7.450 4.639 168 HD2 HIS 23 HD2 HIS 23 39.667 8.316 5.755 169 HE1 HIS 23 HE1 HIS 23 35.609 8.751 6.835 170 H TYR 24 HN TYR 24 37.029 5.762 4.946 171 HA TYR 24 HA TYR 24 35.972 4.207 6.316 172 HB2 TYR 24 HB2 TYR 24 37.139 2.388 4.174 173 HB3 TYR 24 HB1 TYR 24 35.884 1.901 5.339 174 HD1 TYR 24 HD1 TYR 24 33.608 2.782 5.194 175 HD2 TYR 24 HD2 TYR 24 36.662 4.065 2.427 176 HE1 TYR 24 HE1 TYR 24 31.861 3.797 3.736 177 HE2 TYR 24 HE2 TYR 24 34.914 5.080 0.969 178 HH TYR 24 HH TYR 24 32.332 4.538 0.594 179 H LEU 25 HN LEU 25 38.731 4.900 7.056 180 HA LEU 25 HA LEU 25 40.362 2.763 7.772 181 HB2 LEU 25 HB2 LEU 25 41.312 4.169 9.442 182 HB3 LEU 25 HB1 LEU 25 40.739 5.259 8.163 183 HG LEU 25 HG LEU 25 39.398 4.679 10.842 184 HD11 LEU 25 HD11 LEU 25 40.482 7.217 9.542 185 HD12 LEU 25 HD12 LEU 25 41.248 6.312 10.870 186 HD13 LEU 25 HD13 LEU 25 39.687 7.127 11.131 187 HD21 LEU 25 HD21 LEU 25 37.719 6.443 9.977 188 HD22 LEU 25 HD22 LEU 25 37.578 4.814 9.281 189 HD23 LEU 25 HD23 LEU 25 38.371 6.112 8.356 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 65.858 20.017 -1.941 2 H2 GLY 1 HT2 GLY 1 67.113 20.081 -3.084 3 H3 GLY 1 HT3 GLY 1 67.406 20.520 -1.469 4 HA2 GLY 1 HA1 GLY 1 68.293 18.359 -1.981 5 HA3 GLY 1 HA2 GLY 1 67.038 18.318 -0.726 6 H TRP 2 HN TRP 2 65.520 16.827 -0.928 7 HA TRP 2 HA TRP 2 65.424 14.979 -3.054 8 HB2 TRP 2 HB2 TRP 2 63.076 14.489 -2.185 9 HB3 TRP 2 HB1 TRP 2 64.376 14.428 -0.971 10 HD1 TRP 2 HD1 TRP 2 61.448 16.609 -2.137 11 HE1 TRP 2 HE1 TRP 2 60.816 18.291 -0.257 12 HE3 TRP 2 HE3 TRP 2 65.293 15.670 1.111 13 HZ2 TRP 2 HZ2 TRP 2 61.863 19.098 2.302 14 HZ3 TRP 2 HZ3 TRP 2 65.455 16.908 3.266 15 HH2 TRP 2 HH2 TRP 2 63.747 18.618 3.863 16 H GLY 3 HN GLY 3 64.567 14.930 -5.037 17 HA2 GLY 3 HA1 GLY 3 63.597 17.358 -6.229 18 HA3 GLY 3 HA2 GLY 3 63.588 15.746 -6.969 19 H SER 4 HN SER 4 62.033 14.730 -4.559 20 HA SER 4 HA SER 4 59.458 14.788 -5.692 21 HB2 SER 4 HB2 SER 4 60.324 14.427 -2.801 22 HB3 SER 4 HB1 SER 4 58.669 14.139 -3.382 23 HG SER 4 HG SER 4 59.465 12.226 -3.810 24 H ILE 5 HN ILE 5 58.728 16.788 -6.332 25 HA ILE 5 HA ILE 5 58.768 19.095 -4.584 26 HB ILE 5 HB ILE 5 56.875 18.649 -6.930 27 HG12 ILE 5 HG12 ILE 5 59.803 19.514 -6.924 28 HG13 ILE 5 HG11 ILE 5 59.138 18.037 -7.657 29 HG21 ILE 5 HG21 ILE 5 58.267 21.186 -5.979 30 HG22 ILE 5 HG22 ILE 5 56.671 20.685 -5.375 31 HG23 ILE 5 HG23 ILE 5 56.893 21.043 -7.101 32 HD11 ILE 5 HD1 ILE 5 58.766 20.920 -8.533 33 HD12 ILE 5 HD2 ILE 5 57.621 19.652 -9.039 34 HD13 ILE 5 HD3 ILE 5 59.340 19.533 -9.487 35 H PHE 6 HN PHE 6 56.609 16.375 -5.053 36 HA PHE 6 HA PHE 6 55.077 17.166 -2.682 37 HB2 PHE 6 HB2 PHE 6 52.860 17.048 -3.963 38 HB3 PHE 6 HB1 PHE 6 53.824 18.526 -4.189 39 HD1 PHE 6 HD1 PHE 6 54.581 19.161 -6.359 40 HD2 PHE 6 HD2 PHE 6 53.099 15.162 -5.694 41 HE1 PHE 6 HE1 PHE 6 54.662 18.724 -8.810 42 HE2 PHE 6 HE2 PHE 6 53.180 14.726 -8.147 43 HZ PHE 6 HZ PHE 6 54.047 16.476 -9.693 44 H LYS 7 HN LYS 7 56.261 14.961 -4.965 45 HA LYS 7 HA LYS 7 54.437 12.802 -4.783 46 HB2 LYS 7 HB2 LYS 7 56.530 12.994 -6.236 47 HB3 LYS 7 HB1 LYS 7 57.463 12.508 -4.801 48 HG2 LYS 7 HG2 LYS 7 55.870 10.483 -4.643 49 HG3 LYS 7 HG1 LYS 7 55.325 10.919 -6.278 50 HD2 LYS 7 HD2 LYS 7 58.182 10.255 -5.438 51 HD3 LYS 7 HD1 LYS 7 57.106 9.233 -6.420 52 HE2 LYS 7 HE2 LYS 7 58.396 11.880 -7.160 53 HE3 LYS 7 HE1 LYS 7 58.486 10.324 -8.014 54 HZ1 LYS 7 HZ1 LYS 7 56.078 10.524 -8.446 55 HZ2 LYS 7 HZ2 LYS 7 56.983 11.771 -9.163 56 HZ3 LYS 7 HZ3 LYS 7 56.091 12.070 -7.749 57 H HIS 8 HN HIS 8 56.810 14.037 -2.497 58 HA HIS 8 HA HIS 8 55.952 11.914 -0.525 59 HB2 HIS 8 HB2 HIS 8 58.335 11.678 -1.287 60 HB3 HIS 8 HB1 HIS 8 58.651 13.315 -0.662 61 HD1 HIS 8 HD1 HIS 8 59.836 13.107 1.522 62 HD2 HIS 8 HD2 HIS 8 56.709 10.321 1.147 63 HE1 HIS 8 HE1 HIS 8 59.713 11.802 3.714 64 H GLY 9 HN GLY 9 54.395 14.113 -0.760 65 HA2 GLY 9 HA1 GLY 9 54.913 15.468 1.830 66 HA3 GLY 9 HA2 GLY 9 54.813 16.505 0.390 67 H ARG 10 HN ARG 10 52.901 14.083 -0.490 68 HA ARG 10 HA ARG 10 50.558 14.493 1.166 69 HB2 ARG 10 HB2 ARG 10 49.195 15.653 -0.606 70 HB3 ARG 10 HB1 ARG 10 50.451 16.674 0.130 71 HG2 ARG 10 HG2 ARG 10 51.935 16.323 -1.771 72 HG3 ARG 10 HG1 ARG 10 50.805 15.146 -2.485 73 HD2 ARG 10 HD2 ARG 10 50.254 18.108 -2.008 74 HD3 ARG 10 HD1 ARG 10 50.538 17.330 -3.583 75 HE ARG 10 HE ARG 10 48.380 15.947 -2.430 76 HH11 ARG 10 HH11 ARG 10 46.338 17.052 -1.934 77 HH12 ARG 10 HH12 ARG 10 45.954 18.426 -2.919 78 HH21 ARG 10 HH21 ARG 10 49.119 18.639 -4.318 79 HH22 ARG 10 HH22 ARG 10 47.529 19.323 -4.267 80 H HIS 11 HN HIS 11 52.282 12.469 -0.283 81 HA HIS 11 HA HIS 11 49.997 10.888 -1.352 82 HB2 HIS 11 HB2 HIS 11 52.548 11.470 -2.909 83 HB3 HIS 11 HB1 HIS 11 51.410 10.161 -3.312 84 HD1 HIS 11 HD1 HIS 11 48.743 11.706 -2.678 85 HD2 HIS 11 HD2 HIS 11 51.884 13.151 -5.071 86 HE1 HIS 11 HE1 HIS 11 47.771 13.507 -4.207 87 H ALA 12 HN ALA 12 50.146 8.826 -1.277 88 HA ALA 12 HA ALA 12 50.739 6.747 -0.532 89 HB1 ALA 12 HB1 ALA 12 53.248 7.972 0.292 90 HB2 ALA 12 HB2 ALA 12 53.000 7.495 -1.392 91 HB3 ALA 12 HB3 ALA 12 52.995 6.279 -0.088 92 H ALA 13 HN ALA 13 51.709 9.646 1.225 93 HA ALA 13 HA ALA 13 51.428 8.388 3.857 94 HB1 ALA 13 HB1 ALA 13 51.066 11.244 2.780 95 HB2 ALA 13 HB2 ALA 13 52.376 10.663 3.835 96 HB3 ALA 13 HB3 ALA 13 50.717 10.801 4.467 97 H LYS 14 HN LYS 14 50.329 8.461 0.876 98 HA LYS 14 HA LYS 14 47.294 8.318 1.619 99 HB2 LYS 14 HB2 LYS 14 48.332 10.000 -0.095 100 HB3 LYS 14 HB1 LYS 14 48.693 8.527 -1.071 101 HG2 LYS 14 HG2 LYS 14 46.472 8.316 -1.733 102 HG3 LYS 14 HG1 LYS 14 45.830 8.756 -0.135 103 HD2 LYS 14 HD2 LYS 14 46.136 11.121 -0.592 104 HD3 LYS 14 HD1 LYS 14 47.008 10.764 -2.103 105 HE2 LYS 14 HE2 LYS 14 44.520 11.405 -2.331 106 HE3 LYS 14 HE1 LYS 14 45.041 9.920 -3.164 107 HZ1 LYS 14 HZ1 LYS 14 42.991 9.579 -1.922 108 HZ2 LYS 14 HZ2 LYS 14 43.756 10.046 -0.479 109 HZ3 LYS 14 HZ3 LYS 14 44.243 8.631 -1.283 110 H HIS 15 HN HIS 15 46.371 7.063 -0.520 111 HA HIS 15 HA HIS 15 45.831 4.845 -1.047 112 HB2 HIS 15 HB2 HIS 15 48.675 5.155 -2.077 113 HB3 HIS 15 HB1 HIS 15 47.503 3.937 -2.636 114 HD1 HIS 15 HD1 HIS 15 44.931 5.607 -2.794 115 HD2 HIS 15 HD2 HIS 15 48.660 7.029 -4.117 116 HE1 HIS 15 HE1 HIS 15 44.480 7.431 -4.527 117 H ILE 16 HN ILE 16 47.315 5.225 1.597 118 HA ILE 16 HA ILE 16 47.303 2.688 2.467 119 HB ILE 16 HB ILE 16 49.108 1.915 1.121 120 HG12 ILE 16 HG12 ILE 16 50.920 1.407 2.708 121 HG13 ILE 16 HG11 ILE 16 50.315 2.645 3.826 122 HG21 ILE 16 HG21 ILE 16 51.344 3.169 1.152 123 HG22 ILE 16 HG22 ILE 16 50.484 4.502 1.929 124 HG23 ILE 16 HG23 ILE 16 50.039 4.010 0.284 125 HD11 ILE 16 HD1 ILE 16 49.599 0.232 4.322 126 HD12 ILE 16 HD2 ILE 16 48.601 0.322 2.851 127 HD13 ILE 16 HD3 ILE 16 48.278 1.417 4.216 128 H GLY 17 HN GLY 17 49.032 5.513 2.550 129 HA2 GLY 17 HA1 GLY 17 49.183 5.550 5.486 130 HA3 GLY 17 HA2 GLY 17 49.582 6.892 4.394 131 H HIS 18 HN HIS 18 46.983 5.956 2.915 132 HA HIS 18 HA HIS 18 45.157 7.736 4.527 133 HB2 HIS 18 HB2 HIS 18 45.407 6.940 1.652 134 HB3 HIS 18 HB1 HIS 18 43.739 7.069 2.238 135 HD1 HIS 18 HD1 HIS 18 43.373 9.213 0.767 136 HD2 HIS 18 HD2 HIS 18 46.363 9.604 3.698 137 HE1 HIS 18 HE1 HIS 18 43.886 11.705 1.004 138 H ALA 19 HN ALA 19 45.216 4.449 2.984 139 HA ALA 19 HA ALA 19 43.972 3.122 5.141 140 HB1 ALA 19 HB1 ALA 19 42.005 4.484 3.288 141 HB2 ALA 19 HB2 ALA 19 41.940 4.297 5.058 142 HB3 ALA 19 HB3 ALA 19 41.583 2.912 4.008 143 H ALA 20 HN ALA 20 45.531 3.151 2.359 144 HA ALA 20 HA ALA 20 46.063 1.530 0.780 145 HB1 ALA 20 HB1 ALA 20 46.235 0.172 2.951 146 HB2 ALA 20 HB2 ALA 20 45.995 -0.750 1.447 147 HB3 ALA 20 HB3 ALA 20 44.626 -0.472 2.550 148 H VAL 21 HN VAL 21 43.206 2.749 1.300 149 HA VAL 21 HA VAL 21 41.962 1.455 -1.075 150 HB VAL 21 HB VAL 21 40.549 1.794 1.613 151 HG11 VAL 21 HG11 VAL 21 38.909 2.272 -0.036 152 HG12 VAL 21 HG12 VAL 21 38.693 0.534 0.251 153 HG13 VAL 21 HG13 VAL 21 39.582 1.092 -1.185 154 HG21 VAL 21 HG21 VAL 21 41.967 -0.191 1.620 155 HG22 VAL 21 HG22 VAL 21 41.376 -0.672 0.012 156 HG23 VAL 21 HG23 VAL 21 40.284 -0.719 1.415 157 H ASN 22 HN ASN 22 42.864 4.019 0.845 158 HA ASN 22 HA ASN 22 42.843 6.296 0.162 159 HB2 ASN 22 HB2 ASN 22 40.114 5.902 -1.113 160 HB3 ASN 22 HB1 ASN 22 41.231 7.270 -1.295 161 HD21 ASN 22 HD21 ASN 22 40.083 5.125 -3.288 162 HD22 ASN 22 HD22 ASN 22 41.537 4.574 -4.129 163 H HIS 23 HN HIS 23 39.992 4.559 1.286 164 HA HIS 23 HA HIS 23 39.827 6.340 3.628 165 HB2 HIS 23 HB2 HIS 23 37.454 6.138 1.728 166 HB3 HIS 23 HB1 HIS 23 37.520 7.035 3.264 167 HD1 HIS 23 HD1 HIS 23 38.627 7.153 -0.336 168 HD2 HIS 23 HD2 HIS 23 39.070 9.445 3.163 169 HE1 HIS 23 HE1 HIS 23 39.601 9.413 -1.024 170 H TYR 24 HN TYR 24 37.191 5.633 4.383 171 HA TYR 24 HA TYR 24 36.138 3.933 5.554 172 HB2 TYR 24 HB2 TYR 24 37.173 2.182 3.290 173 HB3 TYR 24 HB1 TYR 24 35.815 1.818 4.381 174 HD1 TYR 24 HD1 TYR 24 36.864 3.593 1.370 175 HD2 TYR 24 HD2 TYR 24 33.775 3.331 4.375 176 HE1 TYR 24 HE1 TYR 24 35.309 4.852 -0.116 177 HE2 TYR 24 HE2 TYR 24 32.222 4.590 2.888 178 HH TYR 24 HH TYR 24 32.861 5.219 -0.395 179 H LEU 25 HN LEU 25 39.113 4.483 5.910 180 HA LEU 25 HA LEU 25 40.878 3.589 7.113 181 HB2 LEU 25 HB2 LEU 25 39.302 3.598 8.935 182 HB3 LEU 25 HB1 LEU 25 38.516 2.118 8.346 183 HG LEU 25 HG LEU 25 40.455 0.772 8.897 184 HD11 LEU 25 HD11 LEU 25 42.448 1.964 10.051 185 HD12 LEU 25 HD12 LEU 25 41.797 3.467 9.353 186 HD13 LEU 25 HD13 LEU 25 42.315 2.138 8.286 187 HD21 LEU 25 HD21 LEU 25 39.891 2.787 11.120 188 HD22 LEU 25 HD22 LEU 25 40.614 1.175 11.344 189 HD23 LEU 25 HD23 LEU 25 38.937 1.326 10.767 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 63.445 23.560 -0.273 2 H2 GLY 1 HT2 GLY 1 63.041 22.136 -1.107 3 H3 GLY 1 HT3 GLY 1 63.770 23.430 -1.932 4 HA2 GLY 1 HA1 GLY 1 65.757 23.180 -0.653 5 HA3 GLY 1 HA2 GLY 1 64.996 21.837 0.222 6 H TRP 2 HN TRP 2 64.530 19.874 -0.879 7 HA TRP 2 HA TRP 2 66.592 19.078 -2.696 8 HB2 TRP 2 HB2 TRP 2 65.363 17.521 -1.203 9 HB3 TRP 2 HB1 TRP 2 63.896 17.763 -2.181 10 HD1 TRP 2 HD1 TRP 2 63.697 16.465 -4.406 11 HE1 TRP 2 HE1 TRP 2 65.154 14.709 -5.654 12 HE3 TRP 2 HE3 TRP 2 67.975 16.837 -1.619 13 HZ2 TRP 2 HZ2 TRP 2 67.817 13.633 -5.443 14 HZ3 TRP 2 HZ3 TRP 2 69.961 15.436 -2.160 15 HH2 TRP 2 HH2 TRP 2 69.886 13.836 -4.067 16 H GLY 3 HN GLY 3 63.068 19.026 -3.383 17 HA2 GLY 3 HA1 GLY 3 63.036 20.697 -5.620 18 HA3 GLY 3 HA2 GLY 3 63.541 19.113 -6.239 19 H SER 4 HN SER 4 61.950 17.784 -4.029 20 HA SER 4 HA SER 4 59.595 17.265 -5.542 21 HB2 SER 4 HB2 SER 4 58.841 16.018 -3.640 22 HB3 SER 4 HB1 SER 4 60.609 15.847 -3.685 23 HG SER 4 HG SER 4 60.752 16.976 -1.899 24 H ILE 5 HN ILE 5 57.843 18.446 -5.905 25 HA ILE 5 HA ILE 5 57.440 20.971 -4.548 26 HB ILE 5 HB ILE 5 55.307 19.507 -6.158 27 HG12 ILE 5 HG12 ILE 5 57.738 21.052 -7.176 28 HG13 ILE 5 HG11 ILE 5 57.395 19.325 -7.437 29 HG21 ILE 5 HG21 ILE 5 54.508 21.698 -6.653 30 HG22 ILE 5 HG22 ILE 5 56.029 22.466 -6.137 31 HG23 ILE 5 HG23 ILE 5 54.931 21.764 -4.927 32 HD11 ILE 5 HD1 ILE 5 56.685 20.394 -9.445 33 HD12 ILE 5 HD2 ILE 5 55.913 21.730 -8.557 34 HD13 ILE 5 HD3 ILE 5 55.184 20.106 -8.534 35 H PHE 6 HN PHE 6 55.662 17.848 -4.516 36 HA PHE 6 HA PHE 6 55.006 18.209 -1.684 37 HB2 PHE 6 HB2 PHE 6 52.849 18.482 -3.815 38 HB3 PHE 6 HB1 PHE 6 52.489 18.021 -2.136 39 HD1 PHE 6 HD1 PHE 6 53.674 19.578 -0.289 40 HD2 PHE 6 HD2 PHE 6 52.781 20.787 -4.339 41 HE1 PHE 6 HE1 PHE 6 53.738 21.968 0.408 42 HE2 PHE 6 HE2 PHE 6 52.847 23.176 -3.637 43 HZ PHE 6 HZ PHE 6 53.338 23.767 -1.268 44 H LYS 7 HN LYS 7 55.613 16.409 -4.420 45 HA LYS 7 HA LYS 7 54.028 14.073 -4.062 46 HB2 LYS 7 HB2 LYS 7 56.787 14.582 -5.215 47 HB3 LYS 7 HB1 LYS 7 56.139 12.928 -5.118 48 HG2 LYS 7 HG2 LYS 7 55.674 14.029 -7.321 49 HG3 LYS 7 HG1 LYS 7 54.191 13.564 -6.455 50 HD2 LYS 7 HD2 LYS 7 53.760 15.819 -5.771 51 HD3 LYS 7 HD1 LYS 7 55.395 16.352 -6.237 52 HE2 LYS 7 HE2 LYS 7 53.585 17.000 -7.884 53 HE3 LYS 7 HE1 LYS 7 54.897 16.027 -8.592 54 HZ1 LYS 7 HZ1 LYS 7 53.568 14.161 -8.692 55 HZ2 LYS 7 HZ2 LYS 7 52.452 15.389 -9.056 56 HZ3 LYS 7 HZ3 LYS 7 52.492 14.707 -7.501 57 H HIS 8 HN HIS 8 57.404 14.648 -2.942 58 HA HIS 8 HA HIS 8 57.283 12.319 -1.174 59 HB2 HIS 8 HB2 HIS 8 59.378 13.177 -2.293 60 HB3 HIS 8 HB1 HIS 8 59.319 14.580 -1.200 61 HD1 HIS 8 HD1 HIS 8 59.909 14.229 1.285 62 HD2 HIS 8 HD2 HIS 8 59.887 10.665 -0.945 63 HE1 HIS 8 HE1 HIS 8 61.001 12.422 2.725 64 H GLY 9 HN GLY 9 55.145 14.080 -0.643 65 HA2 GLY 9 HA1 GLY 9 55.379 14.324 2.193 66 HA3 GLY 9 HA2 GLY 9 55.621 15.922 1.461 67 H ARG 10 HN ARG 10 53.632 13.666 -0.248 68 HA ARG 10 HA ARG 10 51.127 14.372 1.037 69 HB2 ARG 10 HB2 ARG 10 51.901 16.501 -0.282 70 HB3 ARG 10 HB1 ARG 10 51.457 15.576 -1.733 71 HG2 ARG 10 HG2 ARG 10 49.172 15.209 -0.727 72 HG3 ARG 10 HG1 ARG 10 49.640 16.275 0.618 73 HD2 ARG 10 HD2 ARG 10 50.180 18.055 -1.126 74 HD3 ARG 10 HD1 ARG 10 49.405 16.996 -2.331 75 HE ARG 10 HE ARG 10 48.015 18.660 -0.435 76 HH11 ARG 10 HH11 ARG 10 46.736 16.670 0.879 77 HH12 ARG 10 HH12 ARG 10 45.586 15.965 -0.207 78 HH21 ARG 10 HH21 ARG 10 47.076 17.269 -3.053 79 HH22 ARG 10 HH22 ARG 10 45.778 16.304 -2.432 80 H HIS 11 HN HIS 11 52.587 12.032 0.170 81 HA HIS 11 HA HIS 11 50.407 10.742 -1.304 82 HB2 HIS 11 HB2 HIS 11 51.815 11.705 -3.154 83 HB3 HIS 11 HB1 HIS 11 53.192 10.763 -2.535 84 HD1 HIS 11 HD1 HIS 11 52.815 8.073 -2.431 85 HD2 HIS 11 HD2 HIS 11 50.208 10.266 -4.891 86 HE1 HIS 11 HE1 HIS 11 51.653 6.410 -3.986 87 H ALA 12 HN ALA 12 50.292 8.688 -1.158 88 HA ALA 12 HA ALA 12 50.556 6.574 -0.322 89 HB1 ALA 12 HB1 ALA 12 52.976 7.031 -0.934 90 HB2 ALA 12 HB2 ALA 12 52.674 5.855 0.370 91 HB3 ALA 12 HB3 ALA 12 53.092 7.529 0.745 92 H ALA 13 HN ALA 13 51.671 9.398 1.470 93 HA ALA 13 HA ALA 13 50.969 8.276 4.083 94 HB1 ALA 13 HB1 ALA 13 52.210 10.456 3.980 95 HB2 ALA 13 HB2 ALA 13 50.578 10.720 4.642 96 HB3 ALA 13 HB3 ALA 13 50.932 11.138 2.948 97 H LYS 14 HN LYS 14 50.207 8.371 0.999 98 HA LYS 14 HA LYS 14 47.116 8.593 1.413 99 HB2 LYS 14 HB2 LYS 14 48.515 10.088 -0.222 100 HB3 LYS 14 HB1 LYS 14 48.794 8.552 -1.121 101 HG2 LYS 14 HG2 LYS 14 46.629 8.556 -1.984 102 HG3 LYS 14 HG1 LYS 14 45.896 9.152 -0.478 103 HD2 LYS 14 HD2 LYS 14 45.572 10.847 -2.157 104 HD3 LYS 14 HD1 LYS 14 46.835 11.456 -1.065 105 HE2 LYS 14 HE2 LYS 14 48.534 10.435 -2.715 106 HE3 LYS 14 HE1 LYS 14 47.166 10.245 -3.836 107 HZ1 LYS 14 HZ1 LYS 14 47.981 12.316 -4.379 108 HZ2 LYS 14 HZ2 LYS 14 48.379 12.719 -2.777 109 HZ3 LYS 14 HZ3 LYS 14 46.756 12.721 -3.277 110 H HIS 15 HN HIS 15 46.271 7.387 -0.769 111 HA HIS 15 HA HIS 15 45.537 5.231 -1.312 112 HB2 HIS 15 HB2 HIS 15 47.291 5.942 -2.968 113 HB3 HIS 15 HB1 HIS 15 48.482 5.010 -2.030 114 HD1 HIS 15 HD1 HIS 15 45.031 3.602 -2.160 115 HD2 HIS 15 HD2 HIS 15 48.584 3.242 -4.379 116 HE1 HIS 15 HE1 HIS 15 44.822 1.499 -3.597 117 H ILE 16 HN ILE 16 46.779 5.528 1.458 118 HA ILE 16 HA ILE 16 46.384 3.053 2.389 119 HB ILE 16 HB ILE 16 48.199 2.001 1.249 120 HG12 ILE 16 HG12 ILE 16 49.402 2.711 3.953 121 HG13 ILE 16 HG11 ILE 16 48.013 1.614 3.792 122 HG21 ILE 16 HG21 ILE 16 49.456 3.950 0.449 123 HG22 ILE 16 HG22 ILE 16 50.562 2.997 1.456 124 HG23 ILE 16 HG23 ILE 16 49.799 4.444 2.118 125 HD11 ILE 16 HD1 ILE 16 49.576 0.344 2.053 126 HD12 ILE 16 HD2 ILE 16 49.815 0.105 3.797 127 HD13 ILE 16 HD3 ILE 16 50.882 1.204 2.901 128 H GLY 17 HN GLY 17 48.395 5.680 2.556 129 HA2 GLY 17 HA1 GLY 17 48.326 5.761 5.500 130 HA3 GLY 17 HA2 GLY 17 48.991 7.008 4.426 131 H HIS 18 HN HIS 18 46.402 6.347 2.756 132 HA HIS 18 HA HIS 18 44.715 8.415 4.172 133 HB2 HIS 18 HB2 HIS 18 45.054 7.466 1.347 134 HB3 HIS 18 HB1 HIS 18 43.384 7.848 1.810 135 HD1 HIS 18 HD1 HIS 18 46.298 9.720 3.346 136 HD2 HIS 18 HD2 HIS 18 43.297 10.329 0.466 137 HE1 HIS 18 HE1 HIS 18 46.361 12.189 2.689 138 H ALA 19 HN ALA 19 44.580 5.069 2.839 139 HA ALA 19 HA ALA 19 43.113 3.869 4.844 140 HB1 ALA 19 HB1 ALA 19 41.199 5.206 4.863 141 HB2 ALA 19 HB2 ALA 19 40.703 3.990 3.667 142 HB3 ALA 19 HB3 ALA 19 41.313 5.573 3.125 143 H ALA 20 HN ALA 20 44.682 3.821 2.104 144 HA ALA 20 HA ALA 20 45.041 2.229 0.453 145 HB1 ALA 20 HB1 ALA 20 45.041 0.764 2.543 146 HB2 ALA 20 HB2 ALA 20 44.677 -0.060 1.008 147 HB3 ALA 20 HB3 ALA 20 43.361 0.344 2.134 148 H VAL 21 HN VAL 21 42.309 3.738 0.978 149 HA VAL 21 HA VAL 21 40.993 2.634 -1.464 150 HB VAL 21 HB VAL 21 39.537 3.134 1.176 151 HG11 VAL 21 HG11 VAL 21 38.615 2.485 -1.651 152 HG12 VAL 21 HG12 VAL 21 38.032 3.759 -0.552 153 HG13 VAL 21 HG13 VAL 21 37.616 2.062 -0.240 154 HG21 VAL 21 HG21 VAL 21 40.139 0.574 -0.378 155 HG22 VAL 21 HG22 VAL 21 39.033 0.669 1.012 156 HG23 VAL 21 HG23 VAL 21 40.763 1.013 1.229 157 H ASN 22 HN ASN 22 42.109 5.096 0.518 158 HA ASN 22 HA ASN 22 42.365 7.349 -0.274 159 HB2 ASN 22 HB2 ASN 22 40.942 6.853 -2.358 160 HB3 ASN 22 HB1 ASN 22 39.526 7.280 -1.362 161 HD21 ASN 22 HD21 ASN 22 38.944 9.441 -1.452 162 HD22 ASN 22 HD22 ASN 22 40.056 10.760 -1.829 163 H HIS 23 HN HIS 23 39.398 5.966 1.060 164 HA HIS 23 HA HIS 23 39.642 7.558 3.458 165 HB2 HIS 23 HB2 HIS 23 38.768 9.283 1.822 166 HB3 HIS 23 HB1 HIS 23 37.298 8.293 1.662 167 HD1 HIS 23 HD1 HIS 23 35.463 9.051 3.159 168 HD2 HIS 23 HD2 HIS 23 39.248 9.656 4.892 169 HE1 HIS 23 HE1 HIS 23 35.092 10.144 5.438 170 H TYR 24 HN TYR 24 36.409 7.483 3.125 171 HA TYR 24 HA TYR 24 34.791 6.068 3.998 172 HB2 TYR 24 HB2 TYR 24 36.493 3.990 2.563 173 HB3 TYR 24 HB1 TYR 24 34.843 3.718 3.171 174 HD1 TYR 24 HD1 TYR 24 32.908 4.734 2.084 175 HD2 TYR 24 HD2 TYR 24 36.910 5.538 0.682 176 HE1 TYR 24 HE1 TYR 24 31.978 5.733 -0.001 177 HE2 TYR 24 HE2 TYR 24 35.979 6.538 -1.403 178 HH TYR 24 HH TYR 24 34.084 7.266 -2.417 179 H LEU 25 HN LEU 25 37.665 6.354 5.302 180 HA LEU 25 HA LEU 25 38.576 5.698 7.324 181 HB2 LEU 25 HB2 LEU 25 35.999 5.852 7.893 182 HB3 LEU 25 HB1 LEU 25 36.091 4.080 7.969 183 HG LEU 25 HG LEU 25 37.813 6.036 9.565 184 HD11 LEU 25 HD11 LEU 25 36.525 5.275 11.491 185 HD12 LEU 25 HD12 LEU 25 35.634 4.108 10.483 186 HD13 LEU 25 HD13 LEU 25 35.395 5.856 10.246 187 HD21 LEU 25 HD21 LEU 25 38.368 3.800 10.802 188 HD22 LEU 25 HD22 LEU 25 39.165 4.107 9.243 189 HD23 LEU 25 HD23 LEU 25 37.770 3.000 9.328 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 63.257 24.826 -5.939 2 H2 GLY 1 HT2 GLY 1 64.407 23.576 -5.968 3 H3 GLY 1 HT3 GLY 1 63.964 24.295 -4.494 4 HA2 GLY 1 HA1 GLY 1 62.383 22.859 -4.209 5 HA3 GLY 1 HA2 GLY 1 61.655 23.403 -5.733 6 H TRP 2 HN TRP 2 60.971 21.402 -6.421 7 HA TRP 2 HA TRP 2 63.088 19.727 -7.621 8 HB2 TRP 2 HB2 TRP 2 61.137 18.482 -5.644 9 HB3 TRP 2 HB1 TRP 2 62.450 17.667 -6.528 10 HD1 TRP 2 HD1 TRP 2 64.965 18.244 -5.800 11 HE1 TRP 2 HE1 TRP 2 65.978 19.115 -3.569 12 HE3 TRP 2 HE3 TRP 2 60.686 19.993 -3.601 13 HZ2 TRP 2 HZ2 TRP 2 65.028 20.396 -1.171 14 HZ3 TRP 2 HZ3 TRP 2 60.762 21.036 -1.342 15 HH2 TRP 2 HH2 TRP 2 62.927 21.239 -0.125 16 H GLY 3 HN GLY 3 60.057 21.139 -7.549 17 HA2 GLY 3 HA1 GLY 3 58.390 21.126 -9.166 18 HA3 GLY 3 HA2 GLY 3 59.335 19.947 -10.096 19 H SER 4 HN SER 4 59.064 18.767 -6.999 20 HA SER 4 HA SER 4 57.258 16.666 -7.820 21 HB2 SER 4 HB2 SER 4 58.350 17.489 -5.105 22 HB3 SER 4 HB1 SER 4 57.353 16.041 -5.370 23 HG SER 4 HG SER 4 59.989 16.514 -5.955 24 H ILE 5 HN ILE 5 55.113 16.616 -7.850 25 HA ILE 5 HA ILE 5 53.586 18.906 -6.913 26 HB ILE 5 HB ILE 5 52.935 17.581 -8.909 27 HG12 ILE 5 HG12 ILE 5 50.825 17.452 -6.703 28 HG13 ILE 5 HG11 ILE 5 51.281 18.929 -7.581 29 HG21 ILE 5 HG21 ILE 5 51.777 15.361 -7.218 30 HG22 ILE 5 HG22 ILE 5 53.529 15.321 -7.524 31 HG23 ILE 5 HG23 ILE 5 52.389 15.327 -8.885 32 HD11 ILE 5 HD1 ILE 5 50.647 17.865 -9.720 33 HD12 ILE 5 HD2 ILE 5 49.277 17.866 -8.585 34 HD13 ILE 5 HD3 ILE 5 50.208 16.373 -8.856 35 H PHE 6 HN PHE 6 54.499 18.747 -4.678 36 HA PHE 6 HA PHE 6 54.200 18.261 -2.431 37 HB2 PHE 6 HB2 PHE 6 51.434 17.314 -3.264 38 HB3 PHE 6 HB1 PHE 6 51.940 17.900 -1.662 39 HD1 PHE 6 HD1 PHE 6 53.007 20.310 -1.597 40 HD2 PHE 6 HD2 PHE 6 50.501 18.862 -4.801 41 HE1 PHE 6 HE1 PHE 6 52.509 22.655 -2.268 42 HE2 PHE 6 HE2 PHE 6 50.003 21.209 -5.471 43 HZ PHE 6 HZ PHE 6 50.923 23.102 -4.138 44 H LYS 7 HN LYS 7 54.517 15.951 -4.702 45 HA LYS 7 HA LYS 7 53.686 13.557 -3.351 46 HB2 LYS 7 HB2 LYS 7 54.314 13.785 -5.795 47 HB3 LYS 7 HB1 LYS 7 56.016 13.853 -5.282 48 HG2 LYS 7 HG2 LYS 7 55.847 11.646 -4.250 49 HG3 LYS 7 HG1 LYS 7 54.101 11.583 -4.590 50 HD2 LYS 7 HD2 LYS 7 54.507 11.581 -6.990 51 HD3 LYS 7 HD1 LYS 7 56.250 11.835 -6.736 52 HE2 LYS 7 HE2 LYS 7 56.491 9.661 -5.699 53 HE3 LYS 7 HE1 LYS 7 54.729 9.422 -5.668 54 HZ1 LYS 7 HZ1 LYS 7 54.841 9.658 -8.166 55 HZ2 LYS 7 HZ2 LYS 7 55.514 8.238 -7.522 56 HZ3 LYS 7 HZ3 LYS 7 56.525 9.505 -8.030 57 H HIS 8 HN HIS 8 56.343 15.739 -2.885 58 HA HIS 8 HA HIS 8 58.089 13.801 -1.564 59 HB2 HIS 8 HB2 HIS 8 58.908 15.887 -2.678 60 HB3 HIS 8 HB1 HIS 8 58.108 16.839 -1.405 61 HD1 HIS 8 HD1 HIS 8 59.776 17.571 0.290 62 HD2 HIS 8 HD2 HIS 8 60.624 13.723 -1.182 63 HE1 HIS 8 HE1 HIS 8 61.815 16.701 1.561 64 H GLY 9 HN GLY 9 55.126 14.675 -0.684 65 HA2 GLY 9 HA1 GLY 9 55.329 13.883 1.989 66 HA3 GLY 9 HA2 GLY 9 55.528 15.646 2.013 67 H ARG 10 HN ARG 10 53.478 13.520 -0.024 68 HA ARG 10 HA ARG 10 51.049 14.166 1.381 69 HB2 ARG 10 HB2 ARG 10 51.734 16.401 0.185 70 HB3 ARG 10 HB1 ARG 10 51.206 15.583 -1.303 71 HG2 ARG 10 HG2 ARG 10 48.980 15.178 -0.306 72 HG3 ARG 10 HG1 ARG 10 49.505 15.954 1.206 73 HD2 ARG 10 HD2 ARG 10 49.487 17.330 -1.514 74 HD3 ARG 10 HD1 ARG 10 48.199 17.492 -0.298 75 HE ARG 10 HE ARG 10 50.632 18.127 1.001 76 HH11 ARG 10 HH11 ARG 10 50.385 20.368 1.656 77 HH12 ARG 10 HH12 ARG 10 50.106 21.527 0.399 78 HH21 ARG 10 HH21 ARG 10 49.536 19.134 -2.045 79 HH22 ARG 10 HH22 ARG 10 49.627 20.828 -1.696 80 H HIS 11 HN HIS 11 52.436 11.894 0.279 81 HA HIS 11 HA HIS 11 50.177 10.731 -1.180 82 HB2 HIS 11 HB2 HIS 11 51.465 11.815 -3.034 83 HB3 HIS 11 HB1 HIS 11 52.891 10.864 -2.555 84 HD1 HIS 11 HD1 HIS 11 49.177 9.964 -3.080 85 HD2 HIS 11 HD2 HIS 11 53.017 8.624 -4.149 86 HE1 HIS 11 HE1 HIS 11 48.880 7.888 -4.541 87 H ALA 12 HN ALA 12 50.084 8.665 -1.249 88 HA ALA 12 HA ALA 12 50.370 6.492 -0.615 89 HB1 ALA 12 HB1 ALA 12 52.759 7.008 -1.289 90 HB2 ALA 12 HB2 ALA 12 52.517 5.715 -0.088 91 HB3 ALA 12 HB3 ALA 12 52.952 7.347 0.422 92 H ALA 13 HN ALA 13 51.576 9.122 1.406 93 HA ALA 13 HA ALA 13 50.982 7.733 3.917 94 HB1 ALA 13 HB1 ALA 13 50.823 10.706 3.132 95 HB2 ALA 13 HB2 ALA 13 52.234 9.944 3.906 96 HB3 ALA 13 HB3 ALA 13 50.692 10.066 4.787 97 H LYS 14 HN LYS 14 50.085 8.152 0.895 98 HA LYS 14 HA LYS 14 47.016 8.334 1.466 99 HB2 LYS 14 HB2 LYS 14 48.360 9.985 -0.055 100 HB3 LYS 14 HB1 LYS 14 48.593 8.551 -1.123 101 HG2 LYS 14 HG2 LYS 14 46.406 8.677 -1.910 102 HG3 LYS 14 HG1 LYS 14 45.727 9.082 -0.316 103 HD2 LYS 14 HD2 LYS 14 46.376 11.415 -0.573 104 HD3 LYS 14 HD1 LYS 14 47.257 11.049 -2.076 105 HE2 LYS 14 HE2 LYS 14 45.139 10.335 -3.147 106 HE3 LYS 14 HE1 LYS 14 44.256 10.703 -1.645 107 HZ1 LYS 14 HZ1 LYS 14 44.763 12.984 -1.853 108 HZ2 LYS 14 HZ2 LYS 14 44.247 12.490 -3.394 109 HZ3 LYS 14 HZ3 LYS 14 45.901 12.716 -3.081 110 H HIS 15 HN HIS 15 46.079 7.361 -0.807 111 HA HIS 15 HA HIS 15 45.308 5.270 -1.537 112 HB2 HIS 15 HB2 HIS 15 46.981 6.123 -3.189 113 HB3 HIS 15 HB1 HIS 15 48.228 5.147 -2.375 114 HD1 HIS 15 HD1 HIS 15 48.489 2.791 -3.168 115 HD2 HIS 15 HD2 HIS 15 44.717 4.381 -4.135 116 HE1 HIS 15 HE1 HIS 15 47.269 1.050 -4.584 117 H ILE 16 HN ILE 16 46.657 5.281 1.203 118 HA ILE 16 HA ILE 16 46.287 2.721 1.893 119 HB ILE 16 HB ILE 16 48.049 1.801 0.577 120 HG12 ILE 16 HG12 ILE 16 49.684 0.955 2.204 121 HG13 ILE 16 HG11 ILE 16 49.193 2.193 3.377 122 HG21 ILE 16 HG21 ILE 16 49.287 3.808 -0.067 123 HG22 ILE 16 HG22 ILE 16 50.422 2.743 0.791 124 HG23 ILE 16 HG23 ILE 16 49.709 4.126 1.627 125 HD11 ILE 16 HD1 ILE 16 47.228 0.200 2.173 126 HD12 ILE 16 HD2 ILE 16 46.997 1.235 3.601 127 HD13 ILE 16 HD3 ILE 16 48.134 -0.130 3.667 128 H GLY 17 HN GLY 17 48.399 5.249 2.262 129 HA2 GLY 17 HA1 GLY 17 48.410 5.071 5.186 130 HA3 GLY 17 HA2 GLY 17 49.016 6.428 4.215 131 H HIS 18 HN HIS 18 46.367 5.957 2.601 132 HA HIS 18 HA HIS 18 44.741 7.836 4.315 133 HB2 HIS 18 HB2 HIS 18 44.948 7.210 1.389 134 HB3 HIS 18 HB1 HIS 18 43.306 7.547 1.971 135 HD1 HIS 18 HD1 HIS 18 46.288 9.223 3.590 136 HD2 HIS 18 HD2 HIS 18 43.344 10.129 0.727 137 HE1 HIS 18 HE1 HIS 18 46.356 11.746 3.200 138 H ALA 19 HN ALA 19 44.469 4.679 2.562 139 HA ALA 19 HA ALA 19 43.052 3.305 4.534 140 HB1 ALA 19 HB1 ALA 19 41.162 4.673 4.672 141 HB2 ALA 19 HB2 ALA 19 40.636 3.545 3.405 142 HB3 ALA 19 HB3 ALA 19 41.260 5.151 2.961 143 H ALA 20 HN ALA 20 44.602 3.444 1.793 144 HA ALA 20 HA ALA 20 44.965 1.956 0.055 145 HB1 ALA 20 HB1 ALA 20 43.140 -0.005 1.476 146 HB2 ALA 20 HB2 ALA 20 44.791 0.336 2.044 147 HB3 ALA 20 HB3 ALA 20 44.531 -0.345 0.420 148 H VAL 21 HN VAL 21 42.204 3.472 0.674 149 HA VAL 21 HA VAL 21 40.999 2.685 -1.945 150 HB VAL 21 HB VAL 21 39.385 2.920 0.638 151 HG11 VAL 21 HG11 VAL 21 37.594 1.910 -0.964 152 HG12 VAL 21 HG12 VAL 21 38.676 2.421 -2.281 153 HG13 VAL 21 HG13 VAL 21 37.998 3.628 -1.162 154 HG21 VAL 21 HG21 VAL 21 40.177 0.486 -1.030 155 HG22 VAL 21 HG22 VAL 21 38.965 0.458 0.273 156 HG23 VAL 21 HG23 VAL 21 40.662 0.831 0.647 157 H ASN 22 HN ASN 22 42.029 4.875 0.361 158 HA ASN 22 HA ASN 22 42.322 7.208 -0.151 159 HB2 ASN 22 HB2 ASN 22 40.949 7.001 -2.307 160 HB3 ASN 22 HB1 ASN 22 39.506 7.285 -1.299 161 HD21 ASN 22 HD21 ASN 22 39.017 9.428 -0.715 162 HD22 ASN 22 HD22 ASN 22 40.086 10.793 -1.055 163 H HIS 23 HN HIS 23 39.332 5.672 0.933 164 HA HIS 23 HA HIS 23 39.520 6.938 3.525 165 HB2 HIS 23 HB2 HIS 23 37.473 8.307 3.420 166 HB3 HIS 23 HB1 HIS 23 38.690 8.896 2.262 167 HD1 HIS 23 HD1 HIS 23 38.255 6.735 0.026 168 HD2 HIS 23 HD2 HIS 23 35.145 8.799 1.962 169 HE1 HIS 23 HE1 HIS 23 36.238 6.718 -1.543 170 H TYR 24 HN TYR 24 39.065 5.128 4.617 171 HA TYR 24 HA TYR 24 37.333 3.057 3.702 172 HB2 TYR 24 HB2 TYR 24 39.021 2.732 5.469 173 HB3 TYR 24 HB1 TYR 24 38.105 3.807 6.551 174 HD1 TYR 24 HD1 TYR 24 36.027 3.079 7.597 175 HD2 TYR 24 HD2 TYR 24 38.116 0.516 4.823 176 HE1 TYR 24 HE1 TYR 24 34.611 1.158 8.307 177 HE2 TYR 24 HE2 TYR 24 36.699 -1.407 5.533 178 HH TYR 24 HH TYR 24 34.443 -1.732 6.514 179 H LEU 25 HN LEU 25 36.590 6.184 4.743 180 HA LEU 25 HA LEU 25 34.105 5.621 6.129 181 HB2 LEU 25 HB2 LEU 25 35.487 7.769 6.246 182 HB3 LEU 25 HB1 LEU 25 34.851 8.158 4.634 183 HG LEU 25 HG LEU 25 32.479 7.696 5.752 184 HD11 LEU 25 HD11 LEU 25 33.263 6.854 7.912 185 HD12 LEU 25 HD12 LEU 25 32.477 8.426 8.164 186 HD13 LEU 25 HD13 LEU 25 34.251 8.311 8.166 187 HD21 LEU 25 HD21 LEU 25 33.226 9.891 4.895 188 HD22 LEU 25 HD22 LEU 25 34.131 10.182 6.400 189 HD23 LEU 25 HD23 LEU 25 32.354 10.082 6.434 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 71.694 15.234 -3.398 2 H2 GLY 1 HT2 GLY 1 70.703 13.858 -3.509 3 H3 GLY 1 HT3 GLY 1 71.242 14.405 -1.992 4 HA2 GLY 1 HA1 GLY 1 69.277 15.351 -1.861 5 HA3 GLY 1 HA2 GLY 1 70.054 16.584 -2.873 6 H TRP 2 HN TRP 2 67.590 14.213 -2.627 7 HA TRP 2 HA TRP 2 67.124 13.717 -5.416 8 HB2 TRP 2 HB2 TRP 2 64.931 13.818 -3.320 9 HB3 TRP 2 HB1 TRP 2 65.081 12.742 -4.730 10 HD1 TRP 2 HD1 TRP 2 68.194 11.995 -4.180 11 HE1 TRP 2 HE1 TRP 2 68.765 10.307 -2.288 12 HE3 TRP 2 HE3 TRP 2 63.901 12.395 -1.420 13 HZ2 TRP 2 HZ2 TRP 2 67.505 9.288 0.092 14 HZ3 TRP 2 HZ3 TRP 2 63.607 11.055 0.658 15 HH2 TRP 2 HH2 TRP 2 65.402 9.504 1.416 16 H GLY 3 HN GLY 3 64.153 14.548 -4.973 17 HA2 GLY 3 HA1 GLY 3 64.195 17.447 -5.105 18 HA3 GLY 3 HA2 GLY 3 64.063 16.713 -6.716 19 H SER 4 HN SER 4 62.755 15.136 -3.867 20 HA SER 4 HA SER 4 60.153 14.879 -5.021 21 HB2 SER 4 HB2 SER 4 60.879 14.773 -2.070 22 HB3 SER 4 HB1 SER 4 59.472 14.025 -2.856 23 HG SER 4 HG SER 4 62.110 13.221 -2.755 24 H ILE 5 HN ILE 5 59.364 16.864 -5.713 25 HA ILE 5 HA ILE 5 59.255 19.188 -4.012 26 HB ILE 5 HB ILE 5 57.385 19.883 -5.700 27 HG12 ILE 5 HG12 ILE 5 58.464 17.443 -7.188 28 HG13 ILE 5 HG11 ILE 5 56.940 17.402 -6.278 29 HG21 ILE 5 HG21 ILE 5 59.048 20.360 -7.436 30 HG22 ILE 5 HG22 ILE 5 60.121 19.089 -6.804 31 HG23 ILE 5 HG23 ILE 5 59.805 20.551 -5.840 32 HD11 ILE 5 HD1 ILE 5 57.626 19.034 -8.746 33 HD12 ILE 5 HD2 ILE 5 56.265 19.486 -7.691 34 HD13 ILE 5 HD3 ILE 5 56.277 17.905 -8.500 35 H PHE 6 HN PHE 6 58.531 18.137 -2.017 36 HA PHE 6 HA PHE 6 56.886 17.649 -0.458 37 HB2 PHE 6 HB2 PHE 6 55.204 19.342 -2.349 38 HB3 PHE 6 HB1 PHE 6 54.755 18.904 -0.683 39 HD1 PHE 6 HD1 PHE 6 55.858 19.921 1.234 40 HD2 PHE 6 HD2 PHE 6 57.120 20.853 -2.786 41 HE1 PHE 6 HE1 PHE 6 57.197 21.837 2.098 42 HE2 PHE 6 HE2 PHE 6 58.458 22.768 -1.922 43 HZ PHE 6 HZ PHE 6 58.561 23.209 0.528 44 H LYS 7 HN LYS 7 57.229 15.910 -2.916 45 HA LYS 7 HA LYS 7 54.561 14.871 -3.497 46 HB2 LYS 7 HB2 LYS 7 56.455 14.706 -5.098 47 HB3 LYS 7 HB1 LYS 7 57.304 13.630 -3.961 48 HG2 LYS 7 HG2 LYS 7 55.663 11.911 -4.188 49 HG3 LYS 7 HG1 LYS 7 54.495 13.010 -4.961 50 HD2 LYS 7 HD2 LYS 7 55.544 11.521 -6.637 51 HD3 LYS 7 HD1 LYS 7 55.990 13.217 -6.929 52 HE2 LYS 7 HE2 LYS 7 58.179 12.909 -6.036 53 HE3 LYS 7 HE1 LYS 7 57.740 11.361 -5.272 54 HZ1 LYS 7 HZ1 LYS 7 58.434 10.368 -7.111 55 HZ2 LYS 7 HZ2 LYS 7 58.695 11.853 -7.895 56 HZ3 LYS 7 HZ3 LYS 7 57.172 11.104 -7.973 57 H HIS 8 HN HIS 8 57.337 13.862 -1.474 58 HA HIS 8 HA HIS 8 55.887 11.513 -0.461 59 HB2 HIS 8 HB2 HIS 8 57.872 11.292 1.033 60 HB3 HIS 8 HB1 HIS 8 58.319 11.431 -0.685 61 HD1 HIS 8 HD1 HIS 8 57.464 14.702 -0.352 62 HD2 HIS 8 HD2 HIS 8 60.544 12.497 1.477 63 HE1 HIS 8 HE1 HIS 8 59.241 16.369 0.417 64 H GLY 9 HN GLY 9 54.221 13.602 -0.052 65 HA2 GLY 9 HA1 GLY 9 53.964 13.576 2.852 66 HA3 GLY 9 HA2 GLY 9 54.408 15.174 2.220 67 H ARG 10 HN ARG 10 52.916 14.319 -0.348 68 HA ARG 10 HA ARG 10 50.130 14.881 0.683 69 HB2 ARG 10 HB2 ARG 10 51.475 15.855 -1.872 70 HB3 ARG 10 HB1 ARG 10 49.776 16.138 -1.422 71 HG2 ARG 10 HG2 ARG 10 50.436 17.413 0.535 72 HG3 ARG 10 HG1 ARG 10 52.148 16.987 0.293 73 HD2 ARG 10 HD2 ARG 10 51.400 19.319 -0.528 74 HD3 ARG 10 HD1 ARG 10 52.312 18.315 -1.680 75 HE ARG 10 HE ARG 10 49.451 17.906 -1.950 76 HH11 ARG 10 HH11 ARG 10 51.415 20.647 -2.160 77 HH12 ARG 10 HH12 ARG 10 50.987 21.033 -3.794 78 HH21 ARG 10 HH21 ARG 10 49.176 18.117 -4.289 79 HH22 ARG 10 HH22 ARG 10 49.721 19.601 -4.999 80 H HIS 11 HN HIS 11 51.960 12.472 -0.389 81 HA HIS 11 HA HIS 11 49.670 11.072 -1.564 82 HB2 HIS 11 HB2 HIS 11 50.657 12.274 -3.548 83 HB3 HIS 11 HB1 HIS 11 52.183 11.408 -3.248 84 HD1 HIS 11 HD1 HIS 11 52.415 9.120 -4.247 85 HD2 HIS 11 HD2 HIS 11 48.398 10.330 -3.969 86 HE1 HIS 11 HE1 HIS 11 51.004 7.352 -5.434 87 H ALA 12 HN ALA 12 49.752 9.014 -1.559 88 HA ALA 12 HA ALA 12 50.317 6.892 -0.936 89 HB1 ALA 12 HB1 ALA 12 52.579 6.325 -0.688 90 HB2 ALA 12 HB2 ALA 12 52.925 8.002 -0.268 91 HB3 ALA 12 HB3 ALA 12 52.535 7.587 -1.940 92 H ALA 13 HN ALA 13 51.537 9.680 0.848 93 HA ALA 13 HA ALA 13 51.410 8.332 3.446 94 HB1 ALA 13 HB1 ALA 13 50.694 10.824 4.068 95 HB2 ALA 13 HB2 ALA 13 51.280 11.210 2.431 96 HB3 ALA 13 HB3 ALA 13 52.392 10.515 3.635 97 H LYS 14 HN LYS 14 50.084 8.569 0.564 98 HA LYS 14 HA LYS 14 47.114 8.503 1.542 99 HB2 LYS 14 HB2 LYS 14 48.084 10.215 -0.185 100 HB3 LYS 14 HB1 LYS 14 48.308 8.770 -1.241 101 HG2 LYS 14 HG2 LYS 14 46.034 8.663 -1.724 102 HG3 LYS 14 HG1 LYS 14 45.538 9.079 -0.067 103 HD2 LYS 14 HD2 LYS 14 45.879 11.438 -0.478 104 HD3 LYS 14 HD1 LYS 14 46.664 11.110 -2.041 105 HE2 LYS 14 HE2 LYS 14 44.316 11.826 -2.366 106 HE3 LYS 14 HE1 LYS 14 44.549 10.146 -2.904 107 HZ1 LYS 14 HZ1 LYS 14 43.232 11.139 -0.447 108 HZ2 LYS 14 HZ2 LYS 14 43.831 9.552 -0.534 109 HZ3 LYS 14 HZ3 LYS 14 42.631 10.070 -1.619 110 H HIS 15 HN HIS 15 45.975 7.379 -0.551 111 HA HIS 15 HA HIS 15 45.301 5.212 -1.122 112 HB2 HIS 15 HB2 HIS 15 46.707 6.186 -2.988 113 HB3 HIS 15 HB1 HIS 15 48.075 5.238 -2.361 114 HD1 HIS 15 HD1 HIS 15 44.704 3.673 -2.029 115 HD2 HIS 15 HD2 HIS 15 47.815 3.695 -4.856 116 HE1 HIS 15 HE1 HIS 15 44.317 1.699 -3.604 117 H ILE 16 HN ILE 16 47.026 5.421 1.400 118 HA ILE 16 HA ILE 16 46.964 2.853 2.174 119 HB ILE 16 HB ILE 16 48.609 2.054 0.653 120 HG12 ILE 16 HG12 ILE 16 50.353 2.615 3.078 121 HG13 ILE 16 HG11 ILE 16 48.926 1.568 3.236 122 HG21 ILE 16 HG21 ILE 16 49.560 4.147 -0.184 123 HG22 ILE 16 HG22 ILE 16 50.901 3.240 0.544 124 HG23 ILE 16 HG23 ILE 16 50.147 4.561 1.439 125 HD11 ILE 16 HD1 ILE 16 50.806 0.130 2.785 126 HD12 ILE 16 HD2 ILE 16 51.343 1.137 1.424 127 HD13 ILE 16 HD3 ILE 16 49.844 0.187 1.293 128 H GLY 17 HN GLY 17 48.733 5.653 2.218 129 HA2 GLY 17 HA1 GLY 17 49.171 5.513 5.135 130 HA3 GLY 17 HA2 GLY 17 49.546 6.888 4.076 131 H HIS 18 HN HIS 18 46.790 6.108 2.775 132 HA HIS 18 HA HIS 18 45.179 7.890 4.603 133 HB2 HIS 18 HB2 HIS 18 45.158 7.214 1.683 134 HB3 HIS 18 HB1 HIS 18 43.556 7.413 2.419 135 HD1 HIS 18 HD1 HIS 18 43.251 9.627 1.007 136 HD2 HIS 18 HD2 HIS 18 46.410 9.735 3.780 137 HE1 HIS 18 HE1 HIS 18 43.924 12.073 1.301 138 H ALA 19 HN ALA 19 45.003 4.669 2.932 139 HA ALA 19 HA ALA 19 43.867 3.297 5.111 140 HB1 ALA 19 HB1 ALA 19 41.385 3.235 4.144 141 HB2 ALA 19 HB2 ALA 19 41.823 4.837 3.505 142 HB3 ALA 19 HB3 ALA 19 41.879 4.528 5.257 143 H ALA 20 HN ALA 20 45.220 3.372 2.240 144 HA ALA 20 HA ALA 20 45.588 1.787 0.580 145 HB1 ALA 20 HB1 ALA 20 44.109 -0.214 2.315 146 HB2 ALA 20 HB2 ALA 20 45.763 0.327 2.687 147 HB3 ALA 20 HB3 ALA 20 45.424 -0.510 1.154 148 H VAL 21 HN VAL 21 42.795 3.112 1.311 149 HA VAL 21 HA VAL 21 41.438 2.042 -1.108 150 HB VAL 21 HB VAL 21 40.022 2.234 1.593 151 HG11 VAL 21 HG11 VAL 21 39.156 1.455 -1.222 152 HG12 VAL 21 HG12 VAL 21 38.444 2.680 -0.147 153 HG13 VAL 21 HG13 VAL 21 38.233 0.955 0.215 154 HG21 VAL 21 HG21 VAL 21 41.493 0.302 1.647 155 HG22 VAL 21 HG22 VAL 21 41.017 -0.174 0.000 156 HG23 VAL 21 HG23 VAL 21 39.849 -0.294 1.339 157 H ASN 22 HN ASN 22 42.415 4.436 1.024 158 HA ASN 22 HA ASN 22 42.403 6.761 0.459 159 HB2 ASN 22 HB2 ASN 22 40.997 6.266 -1.652 160 HB3 ASN 22 HB1 ASN 22 39.569 6.509 -0.611 161 HD21 ASN 22 HD21 ASN 22 39.904 8.300 -2.723 162 HD22 ASN 22 HD22 ASN 22 40.429 9.863 -2.094 163 H HIS 23 HN HIS 23 39.638 4.951 1.668 164 HA HIS 23 HA HIS 23 39.593 6.674 4.092 165 HB2 HIS 23 HB2 HIS 23 37.174 6.285 2.282 166 HB3 HIS 23 HB1 HIS 23 37.119 6.964 3.926 167 HD1 HIS 23 HD1 HIS 23 38.145 7.738 0.386 168 HD2 HIS 23 HD2 HIS 23 38.202 9.594 4.158 169 HE1 HIS 23 HE1 HIS 23 38.757 10.192 0.019 170 H TYR 24 HN TYR 24 39.828 5.228 5.655 171 HA TYR 24 HA TYR 24 39.298 2.466 5.458 172 HB2 TYR 24 HB2 TYR 24 40.636 3.572 7.259 173 HB3 TYR 24 HB1 TYR 24 39.120 4.171 7.974 174 HD1 TYR 24 HD1 TYR 24 37.557 2.661 9.084 175 HD2 TYR 24 HD2 TYR 24 41.162 1.158 7.248 176 HE1 TYR 24 HE1 TYR 24 37.242 0.481 10.251 177 HE2 TYR 24 HE2 TYR 24 40.847 -1.023 8.415 178 HH TYR 24 HH TYR 24 38.399 -1.406 10.919 179 H LEU 25 HN LEU 25 37.087 5.030 5.475 180 HA LEU 25 HA LEU 25 34.928 3.732 6.929 181 HB2 LEU 25 HB2 LEU 25 34.607 5.835 4.760 182 HB3 LEU 25 HB1 LEU 25 33.568 5.532 6.172 183 HG LEU 25 HG LEU 25 36.414 6.627 6.197 184 HD11 LEU 25 HD11 LEU 25 35.365 8.648 7.067 185 HD12 LEU 25 HD12 LEU 25 33.777 7.845 7.127 186 HD13 LEU 25 HD13 LEU 25 34.542 8.190 5.556 187 HD21 LEU 25 HD21 LEU 25 35.864 6.886 8.718 188 HD22 LEU 25 HD22 LEU 25 36.256 5.249 8.146 189 HD23 LEU 25 HD23 LEU 25 34.560 5.708 8.435 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 68.932 20.718 -3.665 2 H2 GLY 1 HT2 GLY 1 69.876 20.201 -2.350 3 H3 GLY 1 HT3 GLY 1 68.244 20.612 -2.120 4 HA2 GLY 1 HA1 GLY 1 69.329 18.327 -3.623 5 HA3 GLY 1 HA2 GLY 1 68.435 18.281 -2.090 6 H TRP 2 HN TRP 2 67.197 16.705 -3.518 7 HA TRP 2 HA TRP 2 65.602 17.546 -5.693 8 HB2 TRP 2 HB2 TRP 2 64.018 15.695 -4.868 9 HB3 TRP 2 HB1 TRP 2 65.701 15.220 -5.196 10 HD1 TRP 2 HD1 TRP 2 63.297 15.953 -2.298 11 HE1 TRP 2 HE1 TRP 2 64.240 14.916 -0.108 12 HE3 TRP 2 HE3 TRP 2 67.863 14.423 -4.033 13 HZ2 TRP 2 HZ2 TRP 2 66.661 13.603 0.742 14 HZ3 TRP 2 HZ3 TRP 2 69.474 13.281 -2.516 15 HH2 TRP 2 HH2 TRP 2 68.877 12.870 -0.132 16 H GLY 3 HN GLY 3 63.815 18.744 -5.940 17 HA2 GLY 3 HA1 GLY 3 62.868 20.303 -3.664 18 HA3 GLY 3 HA2 GLY 3 62.274 20.381 -5.334 19 H SER 4 HN SER 4 62.073 17.253 -4.985 20 HA SER 4 HA SER 4 60.342 15.783 -4.536 21 HB2 SER 4 HB2 SER 4 59.434 15.787 -2.366 22 HB3 SER 4 HB1 SER 4 60.968 16.660 -2.154 23 HG SER 4 HG SER 4 58.595 17.517 -1.540 24 H ILE 5 HN ILE 5 58.662 15.606 -5.844 25 HA ILE 5 HA ILE 5 57.092 17.965 -6.593 26 HB ILE 5 HB ILE 5 55.787 16.320 -7.983 27 HG12 ILE 5 HG12 ILE 5 57.762 14.336 -6.754 28 HG13 ILE 5 HG11 ILE 5 56.003 14.356 -6.503 29 HG21 ILE 5 HG21 ILE 5 57.982 17.448 -8.706 30 HG22 ILE 5 HG22 ILE 5 57.542 15.965 -9.581 31 HG23 ILE 5 HG23 ILE 5 58.789 15.913 -8.311 32 HD11 ILE 5 HD1 ILE 5 56.310 12.715 -8.185 33 HD12 ILE 5 HD2 ILE 5 57.551 13.675 -9.024 34 HD13 ILE 5 HD3 ILE 5 55.841 14.166 -9.104 35 H PHE 6 HN PHE 6 56.887 17.633 -3.867 36 HA PHE 6 HA PHE 6 55.213 17.759 -2.273 37 HB2 PHE 6 HB2 PHE 6 53.093 16.831 -4.228 38 HB3 PHE 6 HB1 PHE 6 52.961 17.981 -2.880 39 HD1 PHE 6 HD1 PHE 6 53.007 17.815 -6.374 40 HD2 PHE 6 HD2 PHE 6 54.786 20.027 -3.119 41 HE1 PHE 6 HE1 PHE 6 53.451 19.722 -7.911 42 HE2 PHE 6 HE2 PHE 6 55.229 21.933 -4.660 43 HZ PHE 6 HZ PHE 6 54.499 21.806 -7.038 44 H LYS 7 HN LYS 7 55.941 15.005 -4.134 45 HA LYS 7 HA LYS 7 54.275 13.012 -3.001 46 HB2 LYS 7 HB2 LYS 7 55.864 12.639 -4.877 47 HB3 LYS 7 HB1 LYS 7 57.223 12.779 -3.737 48 HG2 LYS 7 HG2 LYS 7 56.462 10.831 -2.493 49 HG3 LYS 7 HG1 LYS 7 54.966 10.749 -3.456 50 HD2 LYS 7 HD2 LYS 7 56.391 10.415 -5.514 51 HD3 LYS 7 HD1 LYS 7 57.815 10.310 -4.450 52 HE2 LYS 7 HE2 LYS 7 57.047 8.049 -4.908 53 HE3 LYS 7 HE1 LYS 7 56.664 8.433 -3.212 54 HZ1 LYS 7 HZ1 LYS 7 54.888 7.470 -4.960 55 HZ2 LYS 7 HZ2 LYS 7 54.620 9.137 -5.154 56 HZ3 LYS 7 HZ3 LYS 7 54.468 8.421 -3.621 57 H HIS 8 HN HIS 8 57.225 14.566 -1.751 58 HA HIS 8 HA HIS 8 57.438 12.788 0.545 59 HB2 HIS 8 HB2 HIS 8 58.603 15.556 0.037 60 HB3 HIS 8 HB1 HIS 8 59.073 14.466 1.364 61 HD1 HIS 8 HD1 HIS 8 61.416 14.993 -0.266 62 HD2 HIS 8 HD2 HIS 8 58.557 12.200 -1.575 63 HE1 HIS 8 HE1 HIS 8 62.573 13.443 -1.937 64 H GLY 9 HN GLY 9 54.958 14.605 -0.207 65 HA2 GLY 9 HA1 GLY 9 54.215 15.082 2.609 66 HA3 GLY 9 HA2 GLY 9 54.304 16.530 1.582 67 H ARG 10 HN ARG 10 53.585 13.870 -0.297 68 HA ARG 10 HA ARG 10 50.680 13.806 0.179 69 HB2 ARG 10 HB2 ARG 10 51.854 15.066 -2.339 70 HB3 ARG 10 HB1 ARG 10 50.167 14.521 -2.183 71 HG2 ARG 10 HG2 ARG 10 50.040 16.051 -0.097 72 HG3 ARG 10 HG1 ARG 10 51.574 16.754 -0.665 73 HD2 ARG 10 HD2 ARG 10 50.461 17.195 -2.893 74 HD3 ARG 10 HD1 ARG 10 48.922 16.676 -2.164 75 HE ARG 10 HE ARG 10 50.060 19.265 -1.856 76 HH11 ARG 10 HH11 ARG 10 50.631 17.938 0.850 77 HH12 ARG 10 HH12 ARG 10 49.225 18.411 1.746 78 HH21 ARG 10 HH21 ARG 10 47.423 19.344 -1.065 79 HH22 ARG 10 HH22 ARG 10 47.408 19.206 0.661 80 H HIS 11 HN HIS 11 49.613 12.317 -1.333 81 HA HIS 11 HA HIS 11 49.506 10.205 -2.254 82 HB2 HIS 11 HB2 HIS 11 52.240 10.853 -3.431 83 HB3 HIS 11 HB1 HIS 11 51.092 9.624 -4.013 84 HD1 HIS 11 HD1 HIS 11 51.313 13.424 -3.500 85 HD2 HIS 11 HD2 HIS 11 49.185 10.606 -5.784 86 HE1 HIS 11 HE1 HIS 11 49.913 14.721 -5.199 87 H ALA 12 HN ALA 12 49.751 8.285 -1.720 88 HA ALA 12 HA ALA 12 50.427 6.396 -0.637 89 HB1 ALA 12 HB1 ALA 12 52.677 7.144 -1.533 90 HB2 ALA 12 HB2 ALA 12 52.689 6.144 -0.058 91 HB3 ALA 12 HB3 ALA 12 52.828 7.901 0.043 92 H ALA 13 HN ALA 13 51.193 9.588 0.676 93 HA ALA 13 HA ALA 13 50.851 8.746 3.459 94 HB1 ALA 13 HB1 ALA 13 50.179 11.387 2.029 95 HB2 ALA 13 HB2 ALA 13 51.715 11.068 2.869 96 HB3 ALA 13 HB3 ALA 13 50.194 11.136 3.790 97 H LYS 14 HN LYS 14 49.873 8.322 0.445 98 HA LYS 14 HA LYS 14 46.824 8.135 1.100 99 HB2 LYS 14 HB2 LYS 14 47.872 9.558 -0.830 100 HB3 LYS 14 HB1 LYS 14 48.326 7.959 -1.533 101 HG2 LYS 14 HG2 LYS 14 46.142 7.537 -2.216 102 HG3 LYS 14 HG1 LYS 14 45.418 8.232 -0.749 103 HD2 LYS 14 HD2 LYS 14 45.749 10.503 -1.629 104 HD3 LYS 14 HD1 LYS 14 46.579 9.848 -3.062 105 HE2 LYS 14 HE2 LYS 14 44.553 8.698 -3.778 106 HE3 LYS 14 HE1 LYS 14 43.714 9.158 -2.277 107 HZ1 LYS 14 HZ1 LYS 14 43.024 10.901 -3.475 108 HZ2 LYS 14 HZ2 LYS 14 44.224 10.708 -4.664 109 HZ3 LYS 14 HZ3 LYS 14 44.577 11.533 -3.222 110 H HIS 15 HN HIS 15 46.035 6.511 -0.826 111 HA HIS 15 HA HIS 15 45.607 4.211 -1.009 112 HB2 HIS 15 HB2 HIS 15 48.504 4.312 -1.917 113 HB3 HIS 15 HB1 HIS 15 47.241 3.182 -2.460 114 HD1 HIS 15 HD1 HIS 15 44.893 4.822 -3.169 115 HD2 HIS 15 HD2 HIS 15 48.807 6.138 -3.961 116 HE1 HIS 15 HE1 HIS 15 44.742 6.610 -4.989 117 H ILE 16 HN ILE 16 46.951 5.088 1.590 118 HA ILE 16 HA ILE 16 47.010 2.738 2.864 119 HB ILE 16 HB ILE 16 48.895 1.799 1.772 120 HG12 ILE 16 HG12 ILE 16 50.260 3.128 4.144 121 HG13 ILE 16 HG11 ILE 16 48.978 1.930 4.393 122 HG21 ILE 16 HG21 ILE 16 51.068 3.142 1.555 123 HG22 ILE 16 HG22 ILE 16 50.158 4.558 2.076 124 HG23 ILE 16 HG23 ILE 16 49.746 3.762 0.549 125 HD11 ILE 16 HD1 ILE 16 50.379 0.394 2.806 126 HD12 ILE 16 HD2 ILE 16 50.969 0.650 4.462 127 HD13 ILE 16 HD3 ILE 16 51.704 1.540 3.113 128 H GLY 17 HN GLY 17 48.687 5.577 2.541 129 HA2 GLY 17 HA1 GLY 17 48.741 6.094 5.427 130 HA3 GLY 17 HA2 GLY 17 49.137 7.255 4.145 131 H HIS 18 HN HIS 18 46.576 6.022 2.784 132 HA HIS 18 HA HIS 18 44.709 8.021 4.046 133 HB2 HIS 18 HB2 HIS 18 44.989 6.715 1.368 134 HB3 HIS 18 HB1 HIS 18 43.315 6.902 1.920 135 HD1 HIS 18 HD1 HIS 18 45.937 9.416 2.964 136 HD2 HIS 18 HD2 HIS 18 42.920 9.054 0.057 137 HE1 HIS 18 HE1 HIS 18 45.559 11.737 1.964 138 H ALA 19 HN ALA 19 44.948 4.473 3.295 139 HA ALA 19 HA ALA 19 43.316 3.887 5.644 140 HB1 ALA 19 HB1 ALA 19 41.280 3.179 4.637 141 HB2 ALA 19 HB2 ALA 19 41.944 3.356 2.994 142 HB3 ALA 19 HB3 ALA 19 41.607 4.799 3.982 143 H ALA 20 HN ALA 20 45.813 2.941 4.640 144 HA ALA 20 HA ALA 20 46.884 0.898 4.431 145 HB1 ALA 20 HB1 ALA 20 44.268 -0.596 4.657 146 HB2 ALA 20 HB2 ALA 20 44.941 0.251 6.070 147 HB3 ALA 20 HB3 ALA 20 45.878 -1.035 5.273 148 H VAL 21 HN VAL 21 44.192 1.800 2.433 149 HA VAL 21 HA VAL 21 45.468 0.390 0.145 150 HB VAL 21 HB VAL 21 42.492 0.061 0.735 151 HG11 VAL 21 HG11 VAL 21 44.374 -1.067 -1.386 152 HG12 VAL 21 HG12 VAL 21 43.026 0.065 -1.649 153 HG13 VAL 21 HG13 VAL 21 42.696 -1.609 -1.142 154 HG21 VAL 21 HG21 VAL 21 44.841 -1.853 1.089 155 HG22 VAL 21 HG22 VAL 21 43.142 -2.376 1.054 156 HG23 VAL 21 HG23 VAL 21 43.711 -1.288 2.342 157 H ASN 22 HN ASN 22 43.107 2.667 1.471 158 HA ASN 22 HA ASN 22 43.568 4.879 -0.030 159 HB2 ASN 22 HB2 ASN 22 43.348 4.007 -2.208 160 HB3 ASN 22 HB1 ASN 22 42.050 2.887 -1.739 161 HD21 ASN 22 HD21 ASN 22 40.121 3.497 -2.713 162 HD22 ASN 22 HD22 ASN 22 39.597 5.170 -2.937 163 H HIS 23 HN HIS 23 40.806 2.680 0.610 164 HA HIS 23 HA HIS 23 39.700 4.546 2.549 165 HB2 HIS 23 HB2 HIS 23 39.069 5.621 0.339 166 HB3 HIS 23 HB1 HIS 23 38.101 4.171 -0.012 167 HD1 HIS 23 HD1 HIS 23 35.728 4.277 0.739 168 HD2 HIS 23 HD2 HIS 23 38.199 6.861 2.950 169 HE1 HIS 23 HE1 HIS 23 34.236 5.525 2.397 170 H TYR 24 HN TYR 24 40.231 2.273 3.401 171 HA TYR 24 HA TYR 24 38.639 0.024 2.706 172 HB2 TYR 24 HB2 TYR 24 40.629 -0.097 4.163 173 HB3 TYR 24 HB1 TYR 24 39.757 0.797 5.432 174 HD1 TYR 24 HD1 TYR 24 37.956 -0.251 6.711 175 HD2 TYR 24 HD2 TYR 24 39.988 -2.406 3.573 176 HE1 TYR 24 HE1 TYR 24 36.949 -2.381 7.522 177 HE2 TYR 24 HE2 TYR 24 38.981 -4.536 4.384 178 HH TYR 24 HH TYR 24 37.830 -5.502 6.163 179 H LEU 25 HN LEU 25 37.842 2.953 4.392 180 HA LEU 25 HA LEU 25 35.597 1.924 5.898 181 HB2 LEU 25 HB2 LEU 25 35.864 4.764 4.856 182 HB3 LEU 25 HB1 LEU 25 35.070 4.198 6.345 183 HG LEU 25 HG LEU 25 38.062 4.154 5.746 184 HD11 LEU 25 HD11 LEU 25 36.380 5.685 7.781 185 HD12 LEU 25 HD12 LEU 25 37.147 6.376 6.331 186 HD13 LEU 25 HD13 LEU 25 38.154 5.742 7.654 187 HD21 LEU 25 HD21 LEU 25 36.406 3.021 8.041 188 HD22 LEU 25 HD22 LEU 25 38.129 3.426 8.233 189 HD23 LEU 25 HD23 LEU 25 37.633 2.194 7.051 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 66.187 25.045 1.436 2 H2 GLY 1 HT2 GLY 1 65.319 25.143 2.893 3 H3 GLY 1 HT3 GLY 1 65.851 26.559 2.120 4 HA2 GLY 1 HA1 GLY 1 63.537 26.287 1.769 5 HA3 GLY 1 HA2 GLY 1 64.436 26.098 0.251 6 H TRP 2 HN TRP 2 62.291 25.056 -0.285 7 HA TRP 2 HA TRP 2 61.690 22.467 0.868 8 HB2 TRP 2 HB2 TRP 2 60.133 22.247 -1.027 9 HB3 TRP 2 HB1 TRP 2 60.002 23.862 -0.289 10 HD1 TRP 2 HD1 TRP 2 61.069 22.078 -3.459 11 HE1 TRP 2 HE1 TRP 2 61.614 23.810 -5.320 12 HE3 TRP 2 HE3 TRP 2 60.907 26.354 -0.650 13 HZ2 TRP 2 HZ2 TRP 2 61.931 26.666 -5.527 14 HZ3 TRP 2 HZ3 TRP 2 61.335 28.572 -1.700 15 HH2 TRP 2 HH2 TRP 2 61.845 28.731 -4.133 16 H GLY 3 HN GLY 3 61.254 20.847 -1.368 17 HA2 GLY 3 HA1 GLY 3 63.535 20.560 -3.057 18 HA3 GLY 3 HA2 GLY 3 63.774 19.558 -1.612 19 H SER 4 HN SER 4 60.518 20.149 -2.671 20 HA SER 4 HA SER 4 60.329 17.889 -4.478 21 HB2 SER 4 HB2 SER 4 59.134 16.330 -3.060 22 HB3 SER 4 HB1 SER 4 60.693 16.704 -2.291 23 HG SER 4 HG SER 4 58.091 17.617 -1.641 24 H ILE 5 HN ILE 5 58.290 17.696 -5.418 25 HA ILE 5 HA ILE 5 56.617 20.094 -5.127 26 HB ILE 5 HB ILE 5 55.943 17.621 -6.779 27 HG12 ILE 5 HG12 ILE 5 58.346 18.460 -7.204 28 HG13 ILE 5 HG11 ILE 5 57.266 18.394 -8.606 29 HG21 ILE 5 HG21 ILE 5 54.940 19.431 -8.272 30 HG22 ILE 5 HG22 ILE 5 55.239 20.579 -6.947 31 HG23 ILE 5 HG23 ILE 5 54.145 19.198 -6.700 32 HD11 ILE 5 HD1 ILE 5 56.927 20.773 -8.583 33 HD12 ILE 5 HD2 ILE 5 58.675 20.514 -8.393 34 HD13 ILE 5 HD3 ILE 5 57.685 20.939 -6.983 35 H PHE 6 HN PHE 6 56.451 19.208 -2.710 36 HA PHE 6 HA PHE 6 55.030 18.391 -1.069 37 HB2 PHE 6 HB2 PHE 6 52.953 18.708 -3.273 38 HB3 PHE 6 HB1 PHE 6 52.612 18.545 -1.533 39 HD1 PHE 6 HD1 PHE 6 53.492 20.297 0.077 40 HD2 PHE 6 HD2 PHE 6 53.616 20.820 -4.207 41 HE1 PHE 6 HE1 PHE 6 53.826 22.747 0.384 42 HE2 PHE 6 HE2 PHE 6 53.950 23.270 -3.898 43 HZ PHE 6 HZ PHE 6 54.148 24.217 -1.601 44 H LYS 7 HN LYS 7 56.024 16.594 -3.538 45 HA LYS 7 HA LYS 7 54.185 14.375 -3.572 46 HB2 LYS 7 HB2 LYS 7 55.944 14.793 -5.297 47 HB3 LYS 7 HB1 LYS 7 57.186 14.376 -4.092 48 HG2 LYS 7 HG2 LYS 7 56.276 12.122 -3.858 49 HG3 LYS 7 HG1 LYS 7 54.911 12.525 -4.927 50 HD2 LYS 7 HD2 LYS 7 56.597 13.032 -6.751 51 HD3 LYS 7 HD1 LYS 7 57.861 12.383 -5.677 52 HE2 LYS 7 HE2 LYS 7 55.387 10.857 -6.602 53 HE3 LYS 7 HE1 LYS 7 57.025 10.658 -7.267 54 HZ1 LYS 7 HZ1 LYS 7 56.497 8.999 -5.561 55 HZ2 LYS 7 HZ2 LYS 7 56.270 10.235 -4.417 56 HZ3 LYS 7 HZ3 LYS 7 57.804 9.977 -5.101 57 H HIS 8 HN HIS 8 57.367 14.789 -1.949 58 HA HIS 8 HA HIS 8 56.892 12.419 -0.276 59 HB2 HIS 8 HB2 HIS 8 59.066 14.550 -0.280 60 HB3 HIS 8 HB1 HIS 8 59.058 13.122 0.783 61 HD1 HIS 8 HD1 HIS 8 60.278 14.241 -2.433 62 HD2 HIS 8 HD2 HIS 8 58.864 10.595 -0.886 63 HE1 HIS 8 HE1 HIS 8 61.032 12.392 -4.028 64 H GLY 9 HN GLY 9 54.877 14.484 -0.059 65 HA2 GLY 9 HA1 GLY 9 54.829 14.692 2.838 66 HA3 GLY 9 HA2 GLY 9 55.127 16.261 2.063 67 H ARG 10 HN ARG 10 53.295 14.041 0.185 68 HA ARG 10 HA ARG 10 50.690 14.698 1.292 69 HB2 ARG 10 HB2 ARG 10 51.571 16.858 0.070 70 HB3 ARG 10 HB1 ARG 10 51.203 15.963 -1.421 71 HG2 ARG 10 HG2 ARG 10 48.863 15.588 -0.539 72 HG3 ARG 10 HG1 ARG 10 49.264 16.646 0.834 73 HD2 ARG 10 HD2 ARG 10 49.927 18.417 -0.911 74 HD3 ARG 10 HD1 ARG 10 49.132 17.373 -2.116 75 HE ARG 10 HE ARG 10 47.374 17.849 0.127 76 HH11 ARG 10 HH11 ARG 10 45.487 18.965 -0.497 77 HH12 ARG 10 HH12 ARG 10 45.604 20.196 -1.711 78 HH21 ARG 10 HH21 ARG 10 48.949 19.580 -2.388 79 HH22 ARG 10 HH22 ARG 10 47.563 20.543 -2.781 80 H HIS 11 HN HIS 11 52.314 12.421 0.391 81 HA HIS 11 HA HIS 11 50.211 11.094 -1.142 82 HB2 HIS 11 HB2 HIS 11 51.593 12.261 -2.936 83 HB3 HIS 11 HB1 HIS 11 52.968 11.255 -2.418 84 HD1 HIS 11 HD1 HIS 11 53.067 8.859 -3.234 85 HD2 HIS 11 HD2 HIS 11 49.351 10.684 -3.982 86 HE1 HIS 11 HE1 HIS 11 51.714 7.260 -4.699 87 H ALA 12 HN ALA 12 50.242 9.022 -1.141 88 HA ALA 12 HA ALA 12 50.645 6.889 -0.429 89 HB1 ALA 12 HB1 ALA 12 53.117 7.938 0.692 90 HB2 ALA 12 HB2 ALA 12 53.016 7.541 -1.028 91 HB3 ALA 12 HB3 ALA 12 52.819 6.277 0.214 92 H ALA 13 HN ALA 13 51.603 9.652 1.549 93 HA ALA 13 HA ALA 13 50.996 8.313 4.082 94 HB1 ALA 13 HB1 ALA 13 50.664 11.243 3.199 95 HB2 ALA 13 HB2 ALA 13 52.111 10.603 4.013 96 HB3 ALA 13 HB3 ALA 13 50.551 10.642 4.869 97 H LYS 14 HN LYS 14 50.193 8.584 1.017 98 HA LYS 14 HA LYS 14 47.097 8.592 1.464 99 HB2 LYS 14 HB2 LYS 14 48.403 10.264 -0.072 100 HB3 LYS 14 HB1 LYS 14 48.755 8.806 -1.072 101 HG2 LYS 14 HG2 LYS 14 46.588 8.745 -1.918 102 HG3 LYS 14 HG1 LYS 14 45.839 9.240 -0.382 103 HD2 LYS 14 HD2 LYS 14 46.308 11.560 -0.797 104 HD3 LYS 14 HD1 LYS 14 47.400 11.170 -2.147 105 HE2 LYS 14 HE2 LYS 14 45.232 11.939 -3.019 106 HE3 LYS 14 HE1 LYS 14 45.464 10.217 -3.405 107 HZ1 LYS 14 HZ1 LYS 14 44.250 9.905 -1.133 108 HZ2 LYS 14 HZ2 LYS 14 43.357 10.208 -2.546 109 HZ3 LYS 14 HZ3 LYS 14 43.661 11.465 -1.442 110 H HIS 15 HN HIS 15 46.302 7.487 -0.772 111 HA HIS 15 HA HIS 15 45.674 5.332 -1.453 112 HB2 HIS 15 HB2 HIS 15 47.348 6.226 -3.084 113 HB3 HIS 15 HB1 HIS 15 48.617 5.339 -2.209 114 HD1 HIS 15 HD1 HIS 15 45.455 3.496 -2.130 115 HD2 HIS 15 HD2 HIS 15 48.699 3.821 -4.788 116 HE1 HIS 15 HE1 HIS 15 45.330 1.509 -3.731 117 H ILE 16 HN ILE 16 46.999 5.510 1.322 118 HA ILE 16 HA ILE 16 46.727 2.946 2.072 119 HB ILE 16 HB ILE 16 48.571 2.085 0.843 120 HG12 ILE 16 HG12 ILE 16 49.906 2.650 3.516 121 HG13 ILE 16 HG11 ILE 16 48.472 1.607 3.433 122 HG21 ILE 16 HG21 ILE 16 49.682 4.154 0.152 123 HG22 ILE 16 HG22 ILE 16 50.876 3.211 1.063 124 HG23 ILE 16 HG23 ILE 16 50.044 4.559 1.840 125 HD11 ILE 16 HD1 ILE 16 51.183 1.163 2.117 126 HD12 ILE 16 HD2 ILE 16 49.733 0.251 1.637 127 HD13 ILE 16 HD3 ILE 16 50.350 0.134 3.299 128 H GLY 17 HN GLY 17 48.601 5.657 2.413 129 HA2 GLY 17 HA1 GLY 17 48.559 5.532 5.354 130 HA3 GLY 17 HA2 GLY 17 49.112 6.900 4.364 131 H HIS 18 HN HIS 18 46.595 6.206 2.654 132 HA HIS 18 HA HIS 18 44.764 8.038 4.183 133 HB2 HIS 18 HB2 HIS 18 45.170 7.253 1.329 134 HB3 HIS 18 HB1 HIS 18 43.464 7.410 1.792 135 HD1 HIS 18 HD1 HIS 18 43.242 9.572 0.320 136 HD2 HIS 18 HD2 HIS 18 46.065 9.879 3.422 137 HE1 HIS 18 HE1 HIS 18 43.791 12.050 0.610 138 H ALA 19 HN ALA 19 44.741 4.777 2.610 139 HA ALA 19 HA ALA 19 43.398 3.416 4.653 140 HB1 ALA 19 HB1 ALA 19 41.490 4.934 2.861 141 HB2 ALA 19 HB2 ALA 19 41.425 4.704 4.627 142 HB3 ALA 19 HB3 ALA 19 41.008 3.363 3.542 143 H ALA 20 HN ALA 20 44.992 3.519 1.925 144 HA ALA 20 HA ALA 20 45.498 1.966 0.280 145 HB1 ALA 20 HB1 ALA 20 45.251 -0.341 0.779 146 HB2 ALA 20 HB2 ALA 20 43.833 -0.053 1.816 147 HB3 ALA 20 HB3 ALA 20 45.451 0.454 2.358 148 H VAL 21 HN VAL 21 42.668 3.325 0.766 149 HA VAL 21 HA VAL 21 41.485 2.221 -1.751 150 HB VAL 21 HB VAL 21 39.916 2.687 0.829 151 HG11 VAL 21 HG11 VAL 21 38.471 3.250 -0.975 152 HG12 VAL 21 HG12 VAL 21 38.090 1.546 -0.644 153 HG13 VAL 21 HG13 VAL 21 39.132 1.974 -2.024 154 HG21 VAL 21 HG21 VAL 21 41.236 0.606 0.913 155 HG22 VAL 21 HG22 VAL 21 40.618 0.129 -0.686 156 HG23 VAL 21 HG23 VAL 21 39.513 0.222 0.706 157 H ASN 22 HN ASN 22 42.460 4.715 0.271 158 HA ASN 22 HA ASN 22 42.693 6.972 -0.532 159 HB2 ASN 22 HB2 ASN 22 41.352 6.444 -2.651 160 HB3 ASN 22 HB1 ASN 22 39.890 6.813 -1.695 161 HD21 ASN 22 HD21 ASN 22 40.310 8.473 -3.851 162 HD22 ASN 22 HD22 ASN 22 40.917 10.041 -3.307 163 H HIS 23 HN HIS 23 39.755 5.517 0.737 164 HA HIS 23 HA HIS 23 38.718 5.959 2.786 165 HB2 HIS 23 HB2 HIS 23 41.019 7.182 3.370 166 HB3 HIS 23 HB1 HIS 23 40.067 8.658 3.114 167 HD1 HIS 23 HD1 HIS 23 37.323 7.540 4.247 168 HD2 HIS 23 HD2 HIS 23 41.050 7.333 6.183 169 HE1 HIS 23 HE1 HIS 23 36.868 7.262 6.746 170 H TYR 24 HN TYR 24 38.050 6.835 0.025 171 HA TYR 24 HA TYR 24 36.747 9.404 0.160 172 HB2 TYR 24 HB2 TYR 24 37.388 8.168 -1.945 173 HB3 TYR 24 HB1 TYR 24 36.042 7.046 -1.630 174 HD1 TYR 24 HD1 TYR 24 36.954 10.553 -2.460 175 HD2 TYR 24 HD2 TYR 24 33.723 7.745 -1.900 176 HE1 TYR 24 HE1 TYR 24 35.369 12.169 -3.500 177 HE2 TYR 24 HE2 TYR 24 32.139 9.363 -2.940 178 HH TYR 24 HH TYR 24 32.325 12.242 -3.152 179 H LEU 25 HN LEU 25 36.013 6.373 1.556 180 HA LEU 25 HA LEU 25 33.530 7.413 2.659 181 HB2 LEU 25 HB2 LEU 25 32.223 5.321 1.675 182 HB3 LEU 25 HB1 LEU 25 32.374 6.810 0.714 183 HG LEU 25 HG LEU 25 34.263 5.881 -0.528 184 HD11 LEU 25 HD11 LEU 25 35.420 4.540 1.075 185 HD12 LEU 25 HD12 LEU 25 34.795 3.382 -0.121 186 HD13 LEU 25 HD13 LEU 25 33.967 3.580 1.443 187 HD21 LEU 25 HD21 LEU 25 33.086 4.023 -1.671 188 HD22 LEU 25 HD22 LEU 25 31.965 5.355 -1.301 189 HD23 LEU 25 HD23 LEU 25 31.964 3.885 -0.296 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 66.248 9.589 -4.793 2 H2 GLY 1 HT2 GLY 1 65.012 9.595 -3.627 3 H3 GLY 1 HT3 GLY 1 66.518 8.890 -3.273 4 HA2 GLY 1 HA1 GLY 1 67.532 11.105 -3.640 5 HA3 GLY 1 HA2 GLY 1 65.871 11.730 -3.651 6 H TRP 2 HN TRP 2 65.713 12.848 -1.803 7 HA TRP 2 HA TRP 2 66.961 11.938 0.667 8 HB2 TRP 2 HB2 TRP 2 64.777 14.023 0.297 9 HB3 TRP 2 HB1 TRP 2 65.891 13.861 1.676 10 HD1 TRP 2 HD1 TRP 2 65.927 14.659 -2.100 11 HE1 TRP 2 HE1 TRP 2 68.007 16.121 -2.644 12 HE3 TRP 2 HE3 TRP 2 68.169 14.615 2.501 13 HZ2 TRP 2 HZ2 TRP 2 70.318 17.119 -1.244 14 HZ3 TRP 2 HZ3 TRP 2 70.311 15.827 2.875 15 HH2 TRP 2 HH2 TRP 2 71.386 17.079 1.008 16 H GLY 3 HN GLY 3 65.534 11.878 2.721 17 HA2 GLY 3 HA1 GLY 3 63.778 9.594 2.422 18 HA3 GLY 3 HA2 GLY 3 64.095 10.502 3.914 19 H SER 4 HN SER 4 63.323 12.970 2.132 20 HA SER 4 HA SER 4 61.413 14.255 1.878 21 HB2 SER 4 HB2 SER 4 59.890 11.648 1.556 22 HB3 SER 4 HB1 SER 4 59.490 13.244 0.884 23 HG SER 4 HG SER 4 61.133 11.314 -0.079 24 H ILE 5 HN ILE 5 59.686 15.125 3.024 25 HA ILE 5 HA ILE 5 59.341 13.958 5.764 26 HB ILE 5 HB ILE 5 58.422 16.694 4.770 27 HG12 ILE 5 HG12 ILE 5 60.610 17.301 6.285 28 HG13 ILE 5 HG11 ILE 5 61.151 15.722 5.677 29 HG21 ILE 5 HG21 ILE 5 57.352 15.837 6.823 30 HG22 ILE 5 HG22 ILE 5 58.434 17.196 7.205 31 HG23 ILE 5 HG23 ILE 5 58.950 15.527 7.540 32 HD11 ILE 5 HD1 ILE 5 60.853 16.483 3.357 33 HD12 ILE 5 HD2 ILE 5 61.879 17.636 4.234 34 HD13 ILE 5 HD3 ILE 5 60.172 18.025 3.923 35 H PHE 6 HN PHE 6 57.685 14.669 2.761 36 HA PHE 6 HA PHE 6 55.245 13.312 3.829 37 HB2 PHE 6 HB2 PHE 6 55.171 15.983 2.365 38 HB3 PHE 6 HB1 PHE 6 53.769 15.031 2.909 39 HD1 PHE 6 HD1 PHE 6 56.172 17.557 3.841 40 HD2 PHE 6 HD2 PHE 6 53.615 14.468 5.440 41 HE1 PHE 6 HE1 PHE 6 56.294 18.620 6.091 42 HE2 PHE 6 HE2 PHE 6 53.741 15.531 7.690 43 HZ PHE 6 HZ PHE 6 55.120 17.578 8.026 44 H LYS 7 HN LYS 7 56.882 11.927 2.337 45 HA LYS 7 HA LYS 7 57.127 10.809 0.321 46 HB2 LYS 7 HB2 LYS 7 54.340 11.752 -0.424 47 HB3 LYS 7 HB1 LYS 7 55.131 10.199 -0.787 48 HG2 LYS 7 HG2 LYS 7 54.208 11.179 1.951 49 HG3 LYS 7 HG1 LYS 7 53.484 9.870 0.989 50 HD2 LYS 7 HD2 LYS 7 55.778 8.717 1.080 51 HD3 LYS 7 HD1 LYS 7 56.224 9.922 2.315 52 HE2 LYS 7 HE2 LYS 7 54.135 9.221 3.597 53 HE3 LYS 7 HE1 LYS 7 53.978 7.870 2.449 54 HZ1 LYS 7 HZ1 LYS 7 56.360 8.429 4.148 55 HZ2 LYS 7 HZ2 LYS 7 56.186 7.127 3.071 56 HZ3 LYS 7 HZ3 LYS 7 55.197 7.231 4.448 57 H HIS 8 HN HIS 8 57.235 14.000 0.529 58 HA HIS 8 HA HIS 8 57.704 15.742 -0.940 59 HB2 HIS 8 HB2 HIS 8 59.667 14.206 -1.279 60 HB3 HIS 8 HB1 HIS 8 58.818 13.505 -2.677 61 HD1 HIS 8 HD1 HIS 8 60.019 14.423 -4.682 62 HD2 HIS 8 HD2 HIS 8 59.279 17.377 -1.783 63 HE1 HIS 8 HE1 HIS 8 60.704 16.669 -5.690 64 H GLY 9 HN GLY 9 55.160 14.037 -1.332 65 HA2 GLY 9 HA1 GLY 9 54.244 15.506 -3.675 66 HA3 GLY 9 HA2 GLY 9 54.418 13.768 -3.988 67 H ARG 10 HN ARG 10 53.800 13.425 -0.955 68 HA ARG 10 HA ARG 10 51.936 13.049 0.345 69 HB2 ARG 10 HB2 ARG 10 51.423 15.514 -0.379 70 HB3 ARG 10 HB1 ARG 10 50.241 14.783 -1.484 71 HG2 ARG 10 HG2 ARG 10 48.889 15.102 0.398 72 HG3 ARG 10 HG1 ARG 10 49.475 13.455 0.715 73 HD2 ARG 10 HD2 ARG 10 49.690 14.807 2.748 74 HD3 ARG 10 HD1 ARG 10 51.313 14.432 2.129 75 HE ARG 10 HE ARG 10 51.623 16.743 1.795 76 HH11 ARG 10 HH11 ARG 10 48.470 16.165 2.888 77 HH12 ARG 10 HH12 ARG 10 47.842 17.701 2.390 78 HH21 ARG 10 HH21 ARG 10 50.737 18.647 0.733 79 HH22 ARG 10 HH22 ARG 10 49.125 19.104 1.171 80 H HIS 11 HN HIS 11 52.646 11.234 -1.625 81 HA HIS 11 HA HIS 11 49.966 10.055 -2.230 82 HB2 HIS 11 HB2 HIS 11 52.288 10.256 -4.191 83 HB3 HIS 11 HB1 HIS 11 50.823 9.278 -4.443 84 HD1 HIS 11 HD1 HIS 11 48.486 10.644 -4.482 85 HD2 HIS 11 HD2 HIS 11 51.995 12.913 -4.944 86 HE1 HIS 11 HE1 HIS 11 47.798 12.931 -5.387 87 H ALA 12 HN ALA 12 50.086 8.810 -0.606 88 HA ALA 12 HA ALA 12 50.583 6.248 -0.521 89 HB1 ALA 12 HB1 ALA 12 53.051 7.759 -0.019 90 HB2 ALA 12 HB2 ALA 12 52.884 6.453 -1.227 91 HB3 ALA 12 HB3 ALA 12 52.910 6.082 0.508 92 H ALA 13 HN ALA 13 51.571 9.310 0.809 93 HA ALA 13 HA ALA 13 50.996 8.585 3.608 94 HB1 ALA 13 HB1 ALA 13 50.361 11.122 3.641 95 HB2 ALA 13 HB2 ALA 13 50.994 11.186 1.978 96 HB3 ALA 13 HB3 ALA 13 52.073 10.757 3.327 97 H LYS 14 HN LYS 14 50.139 8.251 0.542 98 HA LYS 14 HA LYS 14 47.060 8.361 1.011 99 HB2 LYS 14 HB2 LYS 14 48.341 9.675 -0.824 100 HB3 LYS 14 HB1 LYS 14 48.735 8.049 -1.513 101 HG2 LYS 14 HG2 LYS 14 46.578 7.805 -2.363 102 HG3 LYS 14 HG1 LYS 14 45.805 8.574 -0.961 103 HD2 LYS 14 HD2 LYS 14 46.472 10.803 -1.814 104 HD3 LYS 14 HD1 LYS 14 47.257 10.029 -3.214 105 HE2 LYS 14 HE2 LYS 14 45.032 8.991 -3.802 106 HE3 LYS 14 HE1 LYS 14 44.294 9.954 -2.499 107 HZ1 LYS 14 HZ1 LYS 14 44.258 11.717 -3.821 108 HZ2 LYS 14 HZ2 LYS 14 44.806 10.750 -5.105 109 HZ3 LYS 14 HZ3 LYS 14 45.919 11.597 -4.140 110 H HIS 15 HN HIS 15 46.254 6.848 -0.965 111 HA HIS 15 HA HIS 15 45.589 4.614 -1.197 112 HB2 HIS 15 HB2 HIS 15 48.518 4.557 -1.995 113 HB3 HIS 15 HB1 HIS 15 47.276 3.387 -2.503 114 HD1 HIS 15 HD1 HIS 15 44.940 4.938 -3.384 115 HD2 HIS 15 HD2 HIS 15 48.854 6.286 -4.113 116 HE1 HIS 15 HE1 HIS 15 44.819 6.624 -5.300 117 H ILE 16 HN ILE 16 46.805 5.288 1.514 118 HA ILE 16 HA ILE 16 46.588 2.940 2.757 119 HB ILE 16 HB ILE 16 48.392 1.835 1.637 120 HG12 ILE 16 HG12 ILE 16 49.614 2.850 4.237 121 HG13 ILE 16 HG11 ILE 16 48.351 1.607 4.156 122 HG21 ILE 16 HG21 ILE 16 50.740 2.922 1.670 123 HG22 ILE 16 HG22 ILE 16 49.932 4.409 2.170 124 HG23 ILE 16 HG23 ILE 16 49.576 3.704 0.584 125 HD11 ILE 16 HD1 ILE 16 51.258 1.428 3.372 126 HD12 ILE 16 HD2 ILE 16 50.093 0.467 2.430 127 HD13 ILE 16 HD3 ILE 16 50.229 0.230 4.185 128 H GLY 17 HN GLY 17 48.402 5.692 2.449 129 HA2 GLY 17 HA1 GLY 17 48.463 6.134 5.381 130 HA3 GLY 17 HA2 GLY 17 49.095 7.228 4.133 131 H HIS 18 HN HIS 18 46.491 6.251 2.621 132 HA HIS 18 HA HIS 18 44.797 8.502 3.684 133 HB2 HIS 18 HB2 HIS 18 45.123 7.107 1.073 134 HB3 HIS 18 HB1 HIS 18 43.428 7.387 1.500 135 HD1 HIS 18 HD1 HIS 18 43.199 9.183 -0.384 136 HD2 HIS 18 HD2 HIS 18 46.099 10.111 2.514 137 HE1 HIS 18 HE1 HIS 18 43.780 11.655 -0.651 138 H ALA 19 HN ALA 19 44.790 4.900 3.274 139 HA ALA 19 HA ALA 19 42.588 4.885 5.318 140 HB1 ALA 19 HB1 ALA 19 42.179 3.807 2.516 141 HB2 ALA 19 HB2 ALA 19 41.279 5.116 3.314 142 HB3 ALA 19 HB3 ALA 19 41.125 3.443 3.899 143 H ALA 20 HN ALA 20 45.405 3.891 4.992 144 HA ALA 20 HA ALA 20 46.581 1.982 5.585 145 HB1 ALA 20 HB1 ALA 20 43.962 0.993 6.735 146 HB2 ALA 20 HB2 ALA 20 44.975 2.226 7.523 147 HB3 ALA 20 HB3 ALA 20 45.614 0.586 7.257 148 H VAL 21 HN VAL 21 44.184 1.927 3.284 149 HA VAL 21 HA VAL 21 45.096 -0.715 2.289 150 HB VAL 21 HB VAL 21 42.123 -0.122 2.665 151 HG11 VAL 21 HG11 VAL 21 42.539 -1.458 0.679 152 HG12 VAL 21 HG12 VAL 21 41.948 -2.550 1.952 153 HG13 VAL 21 HG13 VAL 21 43.683 -2.497 1.559 154 HG21 VAL 21 HG21 VAL 21 42.260 -2.117 4.241 155 HG22 VAL 21 HG22 VAL 21 43.064 -0.650 4.839 156 HG23 VAL 21 HG23 VAL 21 44.031 -1.980 4.156 157 H ASN 22 HN ASN 22 43.419 2.373 1.888 158 HA ASN 22 HA ASN 22 44.329 2.675 -0.800 159 HB2 ASN 22 HB2 ASN 22 41.948 2.530 -1.873 160 HB3 ASN 22 HB1 ASN 22 42.854 1.024 -1.610 161 HD21 ASN 22 HD21 ASN 22 41.762 2.486 1.340 162 HD22 ASN 22 HD22 ASN 22 40.361 1.439 1.588 163 H HIS 23 HN HIS 23 40.963 3.400 -0.009 164 HA HIS 23 HA HIS 23 41.531 6.007 1.151 165 HB2 HIS 23 HB2 HIS 23 42.151 6.367 -1.268 166 HB3 HIS 23 HB1 HIS 23 40.465 5.991 -1.697 167 HD1 HIS 23 HD1 HIS 23 40.738 7.716 1.547 168 HD2 HIS 23 HD2 HIS 23 40.523 8.883 -2.487 169 HE1 HIS 23 HE1 HIS 23 40.055 10.178 1.502 170 H TYR 24 HN TYR 24 39.985 4.020 2.147 171 HA TYR 24 HA TYR 24 37.210 4.254 1.277 172 HB2 TYR 24 HB2 TYR 24 38.230 2.246 2.443 173 HB3 TYR 24 HB1 TYR 24 38.251 3.212 3.938 174 HD1 TYR 24 HD1 TYR 24 36.084 1.610 1.378 175 HD2 TYR 24 HD2 TYR 24 36.188 3.779 5.108 176 HE1 TYR 24 HE1 TYR 24 33.684 1.060 1.764 177 HE2 TYR 24 HE2 TYR 24 33.789 3.229 5.495 178 HH TYR 24 HH TYR 24 32.068 1.048 4.151 179 H LEU 25 HN LEU 25 39.313 6.156 3.214 180 HA LEU 25 HA LEU 25 37.167 8.042 3.778 181 HB2 LEU 25 HB2 LEU 25 37.690 7.930 6.352 182 HB3 LEU 25 HB1 LEU 25 36.549 6.763 5.651 183 HG LEU 25 HG LEU 25 38.338 5.070 5.492 184 HD11 LEU 25 HD11 LEU 25 40.346 6.294 5.148 185 HD12 LEU 25 HD12 LEU 25 40.519 5.663 6.799 186 HD13 LEU 25 HD13 LEU 25 40.045 7.360 6.541 187 HD21 LEU 25 HD21 LEU 25 38.206 6.380 8.246 188 HD22 LEU 25 HD22 LEU 25 38.615 4.681 7.907 189 HD23 LEU 25 HD23 LEU 25 36.975 5.285 7.570 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 69.428 14.874 -2.738 2 H2 GLY 1 HT2 GLY 1 69.447 16.196 -3.806 3 H3 GLY 1 HT3 GLY 1 70.155 14.720 -4.261 4 HA2 GLY 1 HA1 GLY 1 68.196 13.685 -4.609 5 HA3 GLY 1 HA2 GLY 1 67.337 14.802 -3.530 6 H TRP 2 HN TRP 2 66.390 14.122 -6.072 7 HA TRP 2 HA TRP 2 67.164 16.100 -8.043 8 HB2 TRP 2 HB2 TRP 2 66.064 13.956 -8.625 9 HB3 TRP 2 HB1 TRP 2 64.587 14.497 -7.791 10 HD1 TRP 2 HD1 TRP 2 63.152 16.401 -8.926 11 HE1 TRP 2 HE1 TRP 2 63.068 17.379 -11.334 12 HE3 TRP 2 HE3 TRP 2 67.562 14.515 -10.715 13 HZ2 TRP 2 HZ2 TRP 2 64.714 17.328 -13.697 14 HZ3 TRP 2 HZ3 TRP 2 68.285 14.992 -13.050 15 HH2 TRP 2 HH2 TRP 2 66.866 16.395 -14.540 16 H GLY 3 HN GLY 3 64.008 15.733 -6.359 17 HA2 GLY 3 HA1 GLY 3 63.850 18.268 -5.201 18 HA3 GLY 3 HA2 GLY 3 63.309 18.494 -6.876 19 H SER 4 HN SER 4 62.432 15.492 -6.626 20 HA SER 4 HA SER 4 60.362 14.480 -6.340 21 HB2 SER 4 HB2 SER 4 60.589 16.031 -3.738 22 HB3 SER 4 HB1 SER 4 59.314 14.834 -4.059 23 HG SER 4 HG SER 4 62.129 14.471 -3.924 24 H ILE 5 HN ILE 5 57.955 15.007 -5.517 25 HA ILE 5 HA ILE 5 57.127 17.758 -6.222 26 HB ILE 5 HB ILE 5 55.432 16.723 -7.941 27 HG12 ILE 5 HG12 ILE 5 57.652 14.623 -8.026 28 HG13 ILE 5 HG11 ILE 5 56.045 14.348 -7.319 29 HG21 ILE 5 HG21 ILE 5 57.406 18.237 -8.483 30 HG22 ILE 5 HG22 ILE 5 56.966 17.106 -9.779 31 HG23 ILE 5 HG23 ILE 5 58.375 16.769 -8.746 32 HD11 ILE 5 HD1 ILE 5 56.790 14.807 -10.226 33 HD12 ILE 5 HD2 ILE 5 55.135 15.135 -9.654 34 HD13 ILE 5 HD3 ILE 5 55.819 13.499 -9.514 35 H PHE 6 HN PHE 6 56.618 17.469 -3.930 36 HA PHE 6 HA PHE 6 54.932 17.360 -2.346 37 HB2 PHE 6 HB2 PHE 6 53.065 15.929 -4.259 38 HB3 PHE 6 HB1 PHE 6 52.681 17.055 -2.941 39 HD1 PHE 6 HD1 PHE 6 54.120 19.415 -3.240 40 HD2 PHE 6 HD2 PHE 6 52.700 16.845 -6.409 41 HE1 PHE 6 HE1 PHE 6 54.161 21.339 -4.822 42 HE2 PHE 6 HE2 PHE 6 52.743 18.771 -7.987 43 HZ PHE 6 HZ PHE 6 53.528 21.003 -7.207 44 H LYS 7 HN LYS 7 55.335 14.489 -4.423 45 HA LYS 7 HA LYS 7 54.407 12.500 -2.679 46 HB2 LYS 7 HB2 LYS 7 56.792 12.484 -4.564 47 HB3 LYS 7 HB1 LYS 7 56.153 11.028 -3.763 48 HG2 LYS 7 HG2 LYS 7 53.949 11.398 -4.805 49 HG3 LYS 7 HG1 LYS 7 54.552 12.884 -5.579 50 HD2 LYS 7 HD2 LYS 7 56.178 11.621 -6.878 51 HD3 LYS 7 HD1 LYS 7 55.769 10.122 -6.011 52 HE2 LYS 7 HE2 LYS 7 54.613 10.079 -8.141 53 HE3 LYS 7 HE1 LYS 7 53.399 10.370 -6.873 54 HZ1 LYS 7 HZ1 LYS 7 54.718 12.569 -8.370 55 HZ2 LYS 7 HZ2 LYS 7 53.329 12.650 -7.396 56 HZ3 LYS 7 HZ3 LYS 7 53.275 11.847 -8.892 57 H HIS 8 HN HIS 8 57.208 14.554 -2.393 58 HA HIS 8 HA HIS 8 58.796 12.918 -0.674 59 HB2 HIS 8 HB2 HIS 8 59.776 15.114 0.078 60 HB3 HIS 8 HB1 HIS 8 59.737 14.896 -1.689 61 HD1 HIS 8 HD1 HIS 8 58.780 16.808 -2.965 62 HD2 HIS 8 HD2 HIS 8 57.215 16.583 0.932 63 HE1 HIS 8 HE1 HIS 8 57.239 18.820 -2.646 64 H GLY 9 HN GLY 9 55.682 13.872 -0.139 65 HA2 GLY 9 HA1 GLY 9 55.529 12.998 2.495 66 HA3 GLY 9 HA2 GLY 9 55.896 14.727 2.636 67 H ARG 10 HN ARG 10 53.960 13.262 0.043 68 HA ARG 10 HA ARG 10 51.428 14.070 1.340 69 HB2 ARG 10 HB2 ARG 10 52.451 15.462 -1.171 70 HB3 ARG 10 HB1 ARG 10 50.771 15.535 -0.592 71 HG2 ARG 10 HG2 ARG 10 51.741 16.384 1.645 72 HG3 ARG 10 HG1 ARG 10 53.274 16.607 0.769 73 HD2 ARG 10 HD2 ARG 10 51.970 18.701 0.784 74 HD3 ARG 10 HD1 ARG 10 52.117 18.067 -0.871 75 HE ARG 10 HE ARG 10 49.710 17.039 0.259 76 HH11 ARG 10 HH11 ARG 10 48.092 17.801 -1.297 77 HH12 ARG 10 HH12 ARG 10 47.939 19.519 -1.466 78 HH21 ARG 10 HH21 ARG 10 50.845 20.216 0.296 79 HH22 ARG 10 HH22 ARG 10 49.497 20.886 -0.564 80 H HIS 11 HN HIS 11 52.790 11.650 0.262 81 HA HIS 11 HA HIS 11 50.470 10.638 -1.209 82 HB2 HIS 11 HB2 HIS 11 51.955 11.723 -3.001 83 HB3 HIS 11 HB1 HIS 11 53.168 10.482 -2.602 84 HD1 HIS 11 HD1 HIS 11 49.386 10.520 -3.365 85 HD2 HIS 11 HD2 HIS 11 52.853 8.324 -4.278 86 HE1 HIS 11 HE1 HIS 11 48.691 8.606 -4.908 87 H ALA 12 HN ALA 12 50.247 8.580 -1.269 88 HA ALA 12 HA ALA 12 50.427 6.387 -0.646 89 HB1 ALA 12 HB1 ALA 12 53.057 7.093 0.378 90 HB2 ALA 12 HB2 ALA 12 52.828 6.776 -1.346 91 HB3 ALA 12 HB3 ALA 12 52.538 5.499 -0.137 92 H ALA 13 HN ALA 13 51.792 8.951 1.356 93 HA ALA 13 HA ALA 13 51.152 7.605 3.877 94 HB1 ALA 13 HB1 ALA 13 52.455 9.658 4.115 95 HB2 ALA 13 HB2 ALA 13 50.793 10.095 4.581 96 HB3 ALA 13 HB3 ALA 13 51.409 10.525 2.967 97 H LYS 14 HN LYS 14 50.245 8.064 0.862 98 HA LYS 14 HA LYS 14 47.196 8.415 1.465 99 HB2 LYS 14 HB2 LYS 14 48.605 9.980 -0.090 100 HB3 LYS 14 HB1 LYS 14 48.746 8.527 -1.146 101 HG2 LYS 14 HG2 LYS 14 46.555 8.748 -1.897 102 HG3 LYS 14 HG1 LYS 14 45.929 9.233 -0.305 103 HD2 LYS 14 HD2 LYS 14 46.742 11.517 -0.637 104 HD3 LYS 14 HD1 LYS 14 47.526 11.048 -2.165 105 HE2 LYS 14 HE2 LYS 14 45.349 10.501 -3.156 106 HE3 LYS 14 HE1 LYS 14 44.532 10.856 -1.615 107 HZ1 LYS 14 HZ1 LYS 14 45.186 12.638 -3.661 108 HZ2 LYS 14 HZ2 LYS 14 46.165 13.040 -2.333 109 HZ3 LYS 14 HZ3 LYS 14 44.476 12.989 -2.162 110 H HIS 15 HN HIS 15 46.172 7.484 -0.775 111 HA HIS 15 HA HIS 15 45.269 5.434 -1.477 112 HB2 HIS 15 HB2 HIS 15 46.995 6.213 -3.146 113 HB3 HIS 15 HB1 HIS 15 48.150 5.096 -2.382 114 HD1 HIS 15 HD1 HIS 15 44.707 5.059 -4.080 115 HD2 HIS 15 HD2 HIS 15 47.967 2.507 -3.350 116 HE1 HIS 15 HE1 HIS 15 44.233 2.856 -5.284 117 H ILE 16 HN ILE 16 46.660 5.375 1.238 118 HA ILE 16 HA ILE 16 46.179 2.838 1.927 119 HB ILE 16 HB ILE 16 47.869 1.796 0.621 120 HG12 ILE 16 HG12 ILE 16 49.508 2.132 3.148 121 HG13 ILE 16 HG11 ILE 16 47.897 1.408 3.290 122 HG21 ILE 16 HG21 ILE 16 50.287 2.660 0.728 123 HG22 ILE 16 HG22 ILE 16 49.657 4.083 1.555 124 HG23 ILE 16 HG23 ILE 16 49.167 3.748 -0.114 125 HD11 ILE 16 HD1 ILE 16 49.917 0.409 1.249 126 HD12 ILE 16 HD2 ILE 16 48.454 -0.405 1.847 127 HD13 ILE 16 HD3 ILE 16 49.864 -0.211 2.915 128 H GLY 17 HN GLY 17 48.412 5.264 2.253 129 HA2 GLY 17 HA1 GLY 17 48.458 5.083 5.183 130 HA3 GLY 17 HA2 GLY 17 49.139 6.395 4.198 131 H HIS 18 HN HIS 18 46.450 6.070 2.606 132 HA HIS 18 HA HIS 18 44.976 8.089 4.278 133 HB2 HIS 18 HB2 HIS 18 45.118 7.355 1.387 134 HB3 HIS 18 HB1 HIS 18 43.476 7.713 1.950 135 HD1 HIS 18 HD1 HIS 18 43.453 9.930 0.551 136 HD2 HIS 18 HD2 HIS 18 46.441 9.785 3.508 137 HE1 HIS 18 HE1 HIS 18 44.325 12.310 0.873 138 H ALA 19 HN ALA 19 44.516 4.814 2.783 139 HA ALA 19 HA ALA 19 42.720 4.084 4.965 140 HB1 ALA 19 HB1 ALA 19 41.292 5.661 3.554 141 HB2 ALA 19 HB2 ALA 19 40.619 4.042 3.853 142 HB3 ALA 19 HB3 ALA 19 41.362 4.421 2.278 143 H ALA 20 HN ALA 20 45.013 2.888 3.747 144 HA ALA 20 HA ALA 20 45.659 0.765 3.085 145 HB1 ALA 20 HB1 ALA 20 44.261 -1.060 3.505 146 HB2 ALA 20 HB2 ALA 20 42.789 -0.183 3.023 147 HB3 ALA 20 HB3 ALA 20 43.579 0.187 4.575 148 H VAL 21 HN VAL 21 43.287 2.616 1.372 149 HA VAL 21 HA VAL 21 44.300 1.488 -1.189 150 HB VAL 21 HB VAL 21 41.306 1.708 -0.647 151 HG11 VAL 21 HG11 VAL 21 41.942 2.079 -2.983 152 HG12 VAL 21 HG12 VAL 21 41.200 0.469 -2.829 153 HG13 VAL 21 HG13 VAL 21 42.968 0.625 -2.967 154 HG21 VAL 21 HG21 VAL 21 41.392 -0.823 -0.844 155 HG22 VAL 21 HG22 VAL 21 42.136 -0.177 0.637 156 HG23 VAL 21 HG23 VAL 21 43.163 -0.711 -0.715 157 H ASN 22 HN ASN 22 42.419 3.859 0.636 158 HA ASN 22 HA ASN 22 43.390 6.209 -0.275 159 HB2 ASN 22 HB2 ASN 22 43.157 5.920 -2.608 160 HB3 ASN 22 HB1 ASN 22 41.605 5.066 -2.448 161 HD21 ASN 22 HD21 ASN 22 40.535 6.549 -3.949 162 HD22 ASN 22 HD22 ASN 22 40.175 8.211 -3.469 163 H HIS 23 HN HIS 23 40.244 4.501 -0.195 164 HA HIS 23 HA HIS 23 39.382 6.140 2.066 165 HB2 HIS 23 HB2 HIS 23 38.961 7.699 0.168 166 HB3 HIS 23 HB1 HIS 23 37.922 6.467 -0.588 167 HD1 HIS 23 HD1 HIS 23 38.120 7.471 3.113 168 HD2 HIS 23 HD2 HIS 23 35.369 7.410 -0.067 169 HE1 HIS 23 HE1 HIS 23 35.861 8.218 4.045 170 H TYR 24 HN TYR 24 36.653 5.435 0.285 171 HA TYR 24 HA TYR 24 35.031 3.798 0.551 172 HB2 TYR 24 HB2 TYR 24 36.749 2.560 -0.828 173 HB3 TYR 24 HB1 TYR 24 37.384 1.872 0.687 174 HD1 TYR 24 HD1 TYR 24 34.257 2.214 -1.369 175 HD2 TYR 24 HD2 TYR 24 36.329 -0.019 1.691 176 HE1 TYR 24 HE1 TYR 24 32.471 0.478 -1.422 177 HE2 TYR 24 HE2 TYR 24 34.541 -1.753 1.636 178 HH TYR 24 HH TYR 24 32.200 -1.928 1.029 179 H LEU 25 HN LEU 25 36.599 4.957 2.959 180 HA LEU 25 HA LEU 25 35.125 3.431 4.960 181 HB2 LEU 25 HB2 LEU 25 37.229 2.037 4.538 182 HB3 LEU 25 HB1 LEU 25 38.157 3.410 5.177 183 HG LEU 25 HG LEU 25 36.496 3.236 7.244 184 HD11 LEU 25 HD11 LEU 25 35.868 0.827 7.674 185 HD12 LEU 25 HD12 LEU 25 36.286 0.459 5.987 186 HD13 LEU 25 HD13 LEU 25 34.948 1.574 6.351 187 HD21 LEU 25 HD21 LEU 25 38.928 2.796 7.348 188 HD22 LEU 25 HD22 LEU 25 38.663 1.148 6.732 189 HD23 LEU 25 HD23 LEU 25 38.029 1.615 8.329 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 67.519 18.790 2.156 2 H2 GLY 1 HT2 GLY 1 66.153 19.148 3.102 3 H3 GLY 1 HT3 GLY 1 66.108 19.370 1.418 4 HA2 GLY 1 HA1 GLY 1 66.670 16.741 2.562 5 HA3 GLY 1 HA2 GLY 1 65.003 17.337 2.438 6 H TRP 2 HN TRP 2 64.686 15.488 1.016 7 HA TRP 2 HA TRP 2 66.081 15.302 -1.503 8 HB2 TRP 2 HB2 TRP 2 63.310 14.293 -0.745 9 HB3 TRP 2 HB1 TRP 2 64.284 13.753 -2.133 10 HD1 TRP 2 HD1 TRP 2 66.361 12.204 -1.659 11 HE1 TRP 2 HE1 TRP 2 67.121 10.804 0.396 12 HE3 TRP 2 HE3 TRP 2 63.315 14.272 1.896 13 HZ2 TRP 2 HZ2 TRP 2 66.473 10.632 3.196 14 HZ3 TRP 2 HZ3 TRP 2 63.401 13.475 4.253 15 HH2 TRP 2 HH2 TRP 2 64.977 11.658 4.907 16 H GLY 3 HN GLY 3 64.744 15.356 -3.623 17 HA2 GLY 3 HA1 GLY 3 63.921 18.127 -3.981 18 HA3 GLY 3 HA2 GLY 3 63.961 16.855 -5.219 19 H SER 4 HN SER 4 62.302 15.563 -2.676 20 HA SER 4 HA SER 4 59.821 15.441 -3.998 21 HB2 SER 4 HB2 SER 4 58.920 14.612 -1.947 22 HB3 SER 4 HB1 SER 4 60.623 14.100 -1.975 23 HG SER 4 HG SER 4 61.002 15.361 -0.327 24 H ILE 5 HN ILE 5 58.993 17.315 -4.822 25 HA ILE 5 HA ILE 5 58.823 19.741 -3.204 26 HB ILE 5 HB ILE 5 57.243 19.166 -5.745 27 HG12 ILE 5 HG12 ILE 5 60.154 20.040 -5.446 28 HG13 ILE 5 HG11 ILE 5 59.576 18.520 -6.169 29 HG21 ILE 5 HG21 ILE 5 58.534 21.756 -4.800 30 HG22 ILE 5 HG22 ILE 5 56.901 21.277 -4.283 31 HG23 ILE 5 HG23 ILE 5 57.246 21.538 -6.009 32 HD11 ILE 5 HD1 ILE 5 58.235 20.020 -7.808 33 HD12 ILE 5 HD2 ILE 5 59.998 19.941 -8.029 34 HD13 ILE 5 HD3 ILE 5 59.266 21.351 -7.228 35 H PHE 6 HN PHE 6 56.592 17.149 -4.224 36 HA PHE 6 HA PHE 6 54.760 17.925 -1.999 37 HB2 PHE 6 HB2 PHE 6 53.810 17.587 -4.873 38 HB3 PHE 6 HB1 PHE 6 52.789 17.889 -3.449 39 HD1 PHE 6 HD1 PHE 6 53.514 20.002 -1.984 40 HD2 PHE 6 HD2 PHE 6 54.487 19.458 -6.157 41 HE1 PHE 6 HE1 PHE 6 53.851 22.458 -2.228 42 HE2 PHE 6 HE2 PHE 6 54.824 21.913 -6.397 43 HZ PHE 6 HZ PHE 6 54.482 23.416 -4.440 44 H LYS 7 HN LYS 7 56.261 15.663 -4.091 45 HA LYS 7 HA LYS 7 54.538 13.458 -4.074 46 HB2 LYS 7 HB2 LYS 7 56.761 13.558 -5.202 47 HB3 LYS 7 HB1 LYS 7 57.546 13.384 -3.616 48 HG2 LYS 7 HG2 LYS 7 56.556 11.203 -3.278 49 HG3 LYS 7 HG1 LYS 7 55.520 11.392 -4.714 50 HD2 LYS 7 HD2 LYS 7 57.553 11.499 -6.148 51 HD3 LYS 7 HD1 LYS 7 58.566 11.244 -4.706 52 HE2 LYS 7 HE2 LYS 7 58.191 9.112 -5.906 53 HE3 LYS 7 HE1 LYS 7 57.436 9.077 -4.294 54 HZ1 LYS 7 HZ1 LYS 7 56.218 8.759 -6.815 55 HZ2 LYS 7 HZ2 LYS 7 55.576 10.150 -6.078 56 HZ3 LYS 7 HZ3 LYS 7 55.512 8.653 -5.276 57 H HIS 8 HN HIS 8 57.312 13.545 -1.813 58 HA HIS 8 HA HIS 8 55.839 11.872 0.085 59 HB2 HIS 8 HB2 HIS 8 58.541 13.262 0.237 60 HB3 HIS 8 HB1 HIS 8 57.906 12.152 1.475 61 HD1 HIS 8 HD1 HIS 8 56.775 9.841 0.016 62 HD2 HIS 8 HD2 HIS 8 60.263 11.776 -1.321 63 HE1 HIS 8 HE1 HIS 8 58.030 8.197 -1.486 64 H GLY 9 HN GLY 9 54.071 13.651 0.086 65 HA2 GLY 9 HA1 GLY 9 54.098 14.857 2.672 66 HA3 GLY 9 HA2 GLY 9 54.483 16.100 1.465 67 H ARG 10 HN ARG 10 52.771 14.223 -0.405 68 HA ARG 10 HA ARG 10 50.050 14.860 0.626 69 HB2 ARG 10 HB2 ARG 10 51.173 15.986 -1.973 70 HB3 ARG 10 HB1 ARG 10 49.452 16.004 -1.517 71 HG2 ARG 10 HG2 ARG 10 50.135 17.231 0.609 72 HG3 ARG 10 HG1 ARG 10 51.762 17.393 -0.098 73 HD2 ARG 10 HD2 ARG 10 50.522 19.415 -0.614 74 HD3 ARG 10 HD1 ARG 10 50.695 18.478 -2.118 75 HE ARG 10 HE ARG 10 48.234 17.751 -0.835 76 HH11 ARG 10 HH11 ARG 10 48.955 20.908 -1.002 77 HH12 ARG 10 HH12 ARG 10 47.868 21.328 -2.283 78 HH21 ARG 10 HH21 ARG 10 47.181 18.039 -3.137 79 HH22 ARG 10 HH22 ARG 10 46.864 19.704 -3.491 80 H HIS 11 HN HIS 11 52.003 12.605 -0.336 81 HA HIS 11 HA HIS 11 49.850 11.031 -1.586 82 HB2 HIS 11 HB2 HIS 11 52.476 11.526 -3.048 83 HB3 HIS 11 HB1 HIS 11 51.253 10.318 -3.510 84 HD1 HIS 11 HD1 HIS 11 48.987 11.168 -4.484 85 HD2 HIS 11 HD2 HIS 11 51.708 14.236 -3.556 86 HE1 HIS 11 HE1 HIS 11 48.133 13.305 -5.594 87 H ALA 12 HN ALA 12 50.000 8.979 -1.429 88 HA ALA 12 HA ALA 12 50.594 6.923 -0.618 89 HB1 ALA 12 HB1 ALA 12 52.838 6.480 -0.114 90 HB2 ALA 12 HB2 ALA 12 53.071 8.193 0.236 91 HB3 ALA 12 HB3 ALA 12 52.875 7.666 -1.438 92 H ALA 13 HN ALA 13 51.495 9.882 1.070 93 HA ALA 13 HA ALA 13 51.163 8.713 3.735 94 HB1 ALA 13 HB1 ALA 13 52.033 10.961 3.823 95 HB2 ALA 13 HB2 ALA 13 50.294 11.189 4.122 96 HB3 ALA 13 HB3 ALA 13 50.969 11.508 2.506 97 H LYS 14 HN LYS 14 50.136 8.678 0.726 98 HA LYS 14 HA LYS 14 47.087 8.521 1.401 99 HB2 LYS 14 HB2 LYS 14 48.144 10.157 -0.356 100 HB3 LYS 14 HB1 LYS 14 48.536 8.654 -1.269 101 HG2 LYS 14 HG2 LYS 14 46.330 8.393 -1.961 102 HG3 LYS 14 HG1 LYS 14 45.654 8.863 -0.390 103 HD2 LYS 14 HD2 LYS 14 44.953 10.515 -1.992 104 HD3 LYS 14 HD1 LYS 14 46.207 11.282 -0.992 105 HE2 LYS 14 HE2 LYS 14 47.884 10.541 -2.801 106 HE3 LYS 14 HE1 LYS 14 46.470 10.166 -3.810 107 HZ1 LYS 14 HZ1 LYS 14 47.656 12.672 -3.304 108 HZ2 LYS 14 HZ2 LYS 14 46.068 12.693 -2.699 109 HZ3 LYS 14 HZ3 LYS 14 46.355 12.302 -4.328 110 H HIS 15 HN HIS 15 46.224 7.181 -0.701 111 HA HIS 15 HA HIS 15 45.724 4.941 -1.170 112 HB2 HIS 15 HB2 HIS 15 47.209 5.810 -2.979 113 HB3 HIS 15 HB1 HIS 15 48.604 5.110 -2.124 114 HD1 HIS 15 HD1 HIS 15 49.258 3.054 -3.386 115 HD2 HIS 15 HD2 HIS 15 45.086 3.395 -2.973 116 HE1 HIS 15 HE1 HIS 15 48.222 0.924 -4.341 117 H ILE 16 HN ILE 16 47.194 5.440 1.490 118 HA ILE 16 HA ILE 16 47.166 2.936 2.454 119 HB ILE 16 HB ILE 16 48.982 2.108 1.163 120 HG12 ILE 16 HG12 ILE 16 50.359 2.990 3.730 121 HG13 ILE 16 HG11 ILE 16 49.083 1.754 3.728 122 HG21 ILE 16 HG21 ILE 16 50.336 4.743 1.874 123 HG22 ILE 16 HG22 ILE 16 49.901 4.189 0.248 124 HG23 ILE 16 HG23 ILE 16 51.210 3.394 1.143 125 HD11 ILE 16 HD1 ILE 16 50.561 0.597 1.862 126 HD12 ILE 16 HD2 ILE 16 51.045 0.458 3.565 127 HD13 ILE 16 HD3 ILE 16 51.859 1.628 2.508 128 H GLY 17 HN GLY 17 48.842 5.793 2.449 129 HA2 GLY 17 HA1 GLY 17 49.007 5.902 5.389 130 HA3 GLY 17 HA2 GLY 17 49.405 7.214 4.262 131 H HIS 18 HN HIS 18 46.823 6.213 2.802 132 HA HIS 18 HA HIS 18 44.986 8.061 4.311 133 HB2 HIS 18 HB2 HIS 18 45.241 7.074 1.502 134 HB3 HIS 18 HB1 HIS 18 43.566 7.178 2.080 135 HD1 HIS 18 HD1 HIS 18 46.223 9.577 3.333 136 HD2 HIS 18 HD2 HIS 18 43.029 9.540 0.595 137 HE1 HIS 18 HE1 HIS 18 45.805 11.995 2.618 138 H ALA 19 HN ALA 19 45.120 4.678 3.039 139 HA ALA 19 HA ALA 19 43.974 3.418 5.254 140 HB1 ALA 19 HB1 ALA 19 41.868 4.634 3.446 141 HB2 ALA 19 HB2 ALA 19 41.912 4.567 5.226 142 HB3 ALA 19 HB3 ALA 19 41.540 3.105 4.295 143 H ALA 20 HN ALA 20 45.360 3.436 2.383 144 HA ALA 20 HA ALA 20 45.853 1.803 0.808 145 HB1 ALA 20 HB1 ALA 20 44.581 -0.215 2.685 146 HB2 ALA 20 HB2 ALA 20 46.189 0.486 2.987 147 HB3 ALA 20 HB3 ALA 20 45.895 -0.467 1.513 148 H VAL 21 HN VAL 21 43.015 2.976 1.465 149 HA VAL 21 HA VAL 21 41.644 1.536 -0.766 150 HB VAL 21 HB VAL 21 40.389 2.118 1.959 151 HG11 VAL 21 HG11 VAL 21 39.251 1.213 -0.714 152 HG12 VAL 21 HG12 VAL 21 38.677 2.512 0.359 153 HG13 VAL 21 HG13 VAL 21 38.436 0.814 0.818 154 HG21 VAL 21 HG21 VAL 21 40.095 -0.368 2.017 155 HG22 VAL 21 HG22 VAL 21 41.808 0.106 1.973 156 HG23 VAL 21 HG23 VAL 21 41.014 -0.490 0.498 157 H ASN 22 HN ASN 22 42.639 4.285 0.891 158 HA ASN 22 HA ASN 22 42.598 6.469 -0.085 159 HB2 ASN 22 HB2 ASN 22 41.169 5.587 -2.044 160 HB3 ASN 22 HB1 ASN 22 39.752 6.003 -1.043 161 HD21 ASN 22 HD21 ASN 22 41.441 7.228 -3.564 162 HD22 ASN 22 HD22 ASN 22 41.350 8.952 -3.191 163 H HIS 23 HN HIS 23 39.866 4.917 1.496 164 HA HIS 23 HA HIS 23 38.858 5.476 3.521 165 HB2 HIS 23 HB2 HIS 23 41.114 6.800 3.959 166 HB3 HIS 23 HB1 HIS 23 40.134 8.233 3.585 167 HD1 HIS 23 HD1 HIS 23 38.977 5.095 5.456 168 HD2 HIS 23 HD2 HIS 23 39.741 9.165 6.190 169 HE1 HIS 23 HE1 HIS 23 38.132 5.616 7.810 170 H TYR 24 HN TYR 24 37.808 7.957 4.353 171 HA TYR 24 HA TYR 24 35.870 9.181 3.966 172 HB2 TYR 24 HB2 TYR 24 37.204 9.523 1.250 173 HB3 TYR 24 HB1 TYR 24 35.865 10.515 1.871 174 HD1 TYR 24 HD1 TYR 24 39.465 9.969 1.908 175 HD2 TYR 24 HD2 TYR 24 36.199 11.819 4.039 176 HE1 TYR 24 HE1 TYR 24 41.083 11.412 3.135 177 HE2 TYR 24 HE2 TYR 24 37.818 13.263 5.265 178 HH TYR 24 HH TYR 24 39.962 13.771 5.582 179 H LEU 25 HN LEU 25 35.773 6.297 3.413 180 HA LEU 25 HA LEU 25 34.386 5.702 1.016 181 HB2 LEU 25 HB2 LEU 25 35.223 3.925 2.419 182 HB3 LEU 25 HB1 LEU 25 34.237 4.467 3.793 183 HG LEU 25 HG LEU 25 32.185 3.810 2.680 184 HD11 LEU 25 HD11 LEU 25 33.999 3.443 0.262 185 HD12 LEU 25 HD12 LEU 25 32.514 4.417 0.398 186 HD13 LEU 25 HD13 LEU 25 32.412 2.642 0.368 187 HD21 LEU 25 HD21 LEU 25 34.306 1.665 2.228 188 HD22 LEU 25 HD22 LEU 25 32.559 1.394 2.432 189 HD23 LEU 25 HD23 LEU 25 33.527 2.021 3.786 Start of MODEL 21 1 H1 GLY 1 HT1 GLY 1 70.733 16.489 -8.546 2 H2 GLY 1 HT2 GLY 1 70.709 15.360 -7.276 3 H3 GLY 1 HT3 GLY 1 69.718 16.739 -7.212 4 HA2 GLY 1 HA1 GLY 1 69.160 15.443 -9.583 5 HA3 GLY 1 HA2 GLY 1 69.186 14.226 -8.291 6 H TRP 2 HN TRP 2 66.990 13.847 -8.278 7 HA TRP 2 HA TRP 2 65.025 15.950 -8.188 8 HB2 TRP 2 HB2 TRP 2 64.820 13.085 -7.177 9 HB3 TRP 2 HB1 TRP 2 63.462 14.173 -7.549 10 HD1 TRP 2 HD1 TRP 2 65.536 11.570 -9.081 11 HE1 TRP 2 HE1 TRP 2 65.288 11.526 -11.669 12 HE3 TRP 2 HE3 TRP 2 63.192 16.073 -9.743 13 HZ2 TRP 2 HZ2 TRP 2 64.209 13.233 -13.721 14 HZ3 TRP 2 HZ3 TRP 2 62.562 16.844 -12.025 15 HH2 TRP 2 HH2 TRP 2 63.068 15.431 -14.013 16 H GLY 3 HN GLY 3 63.355 15.254 -6.074 17 HA2 GLY 3 HA1 GLY 3 64.669 15.233 -3.532 18 HA3 GLY 3 HA2 GLY 3 64.333 16.911 -4.000 19 H SER 4 HN SER 4 62.241 14.373 -5.150 20 HA SER 4 HA SER 4 59.990 13.987 -4.741 21 HB2 SER 4 HB2 SER 4 60.675 14.653 -1.856 22 HB3 SER 4 HB1 SER 4 59.330 13.650 -2.442 23 HG SER 4 HG SER 4 60.985 12.283 -1.860 24 H ILE 5 HN ILE 5 59.424 15.878 -5.974 25 HA ILE 5 HA ILE 5 59.022 18.426 -4.640 26 HB ILE 5 HB ILE 5 57.572 18.867 -6.784 27 HG12 ILE 5 HG12 ILE 5 59.003 16.315 -7.667 28 HG13 ILE 5 HG11 ILE 5 57.294 16.342 -7.189 29 HG21 ILE 5 HG21 ILE 5 59.589 19.223 -8.128 30 HG22 ILE 5 HG22 ILE 5 60.501 18.071 -7.124 31 HG23 ILE 5 HG23 ILE 5 59.948 19.613 -6.433 32 HD11 ILE 5 HD1 ILE 5 58.621 17.657 -9.581 33 HD12 ILE 5 HD2 ILE 5 57.063 18.262 -8.968 34 HD13 ILE 5 HD3 ILE 5 57.204 16.585 -9.540 35 H PHE 6 HN PHE 6 57.818 17.955 -2.782 36 HA PHE 6 HA PHE 6 55.863 17.731 -1.562 37 HB2 PHE 6 HB2 PHE 6 54.468 18.437 -4.172 38 HB3 PHE 6 HB1 PHE 6 53.827 18.629 -2.523 39 HD1 PHE 6 HD1 PHE 6 54.747 20.347 -0.996 40 HD2 PHE 6 HD2 PHE 6 56.145 19.970 -5.062 41 HE1 PHE 6 HE1 PHE 6 55.812 22.594 -0.838 42 HE2 PHE 6 HE2 PHE 6 57.209 22.217 -4.904 43 HZ PHE 6 HZ PHE 6 56.957 23.568 -2.826 44 H LYS 7 HN LYS 7 56.871 15.536 -3.616 45 HA LYS 7 HA LYS 7 54.476 13.967 -4.125 46 HB2 LYS 7 HB2 LYS 7 56.593 13.772 -5.447 47 HB3 LYS 7 HB1 LYS 7 57.380 13.058 -4.019 48 HG2 LYS 7 HG2 LYS 7 55.822 11.190 -4.017 49 HG3 LYS 7 HG1 LYS 7 54.856 11.939 -5.311 50 HD2 LYS 7 HD2 LYS 7 56.685 11.712 -6.895 51 HD3 LYS 7 HD1 LYS 7 57.787 11.159 -5.612 52 HE2 LYS 7 HE2 LYS 7 56.951 9.236 -6.913 53 HE3 LYS 7 HE1 LYS 7 56.340 9.168 -5.242 54 HZ1 LYS 7 HZ1 LYS 7 54.235 9.737 -5.897 55 HZ2 LYS 7 HZ2 LYS 7 54.736 8.850 -7.257 56 HZ3 LYS 7 HZ3 LYS 7 54.746 10.548 -7.297 57 H HIS 8 HN HIS 8 57.252 13.519 -1.880 58 HA HIS 8 HA HIS 8 55.775 11.479 -0.365 59 HB2 HIS 8 HB2 HIS 8 58.248 11.401 -0.673 60 HB3 HIS 8 HB1 HIS 8 58.392 12.898 0.281 61 HD1 HIS 8 HD1 HIS 8 55.642 10.860 1.553 62 HD2 HIS 8 HD2 HIS 8 59.800 11.037 2.155 63 HE1 HIS 8 HE1 HIS 8 56.157 9.565 3.694 64 H GLY 9 HN GLY 9 54.309 13.864 -0.482 65 HA2 GLY 9 HA1 GLY 9 54.013 14.385 2.394 66 HA3 GLY 9 HA2 GLY 9 54.552 15.789 1.450 67 H ARG 10 HN ARG 10 52.863 14.066 -0.723 68 HA ARG 10 HA ARG 10 50.148 14.965 0.143 69 HB2 ARG 10 HB2 ARG 10 51.328 15.753 -2.549 70 HB3 ARG 10 HB1 ARG 10 49.748 16.220 -1.872 71 HG2 ARG 10 HG2 ARG 10 51.046 17.304 0.060 72 HG3 ARG 10 HG1 ARG 10 52.514 17.065 -0.918 73 HD2 ARG 10 HD2 ARG 10 51.604 19.324 -1.289 74 HD3 ARG 10 HD1 ARG 10 51.464 18.355 -2.775 75 HE ARG 10 HE ARG 10 49.054 18.107 -1.220 76 HH11 ARG 10 HH11 ARG 10 47.363 19.623 -1.510 77 HH12 ARG 10 HH12 ARG 10 47.505 20.791 -2.782 78 HH21 ARG 10 HH21 ARG 10 50.756 19.901 -3.593 79 HH22 ARG 10 HH22 ARG 10 49.426 20.947 -3.961 80 H HIS 11 HN HIS 11 52.061 12.561 -0.833 81 HA HIS 11 HA HIS 11 49.805 11.028 -1.910 82 HB2 HIS 11 HB2 HIS 11 52.265 11.540 -3.632 83 HB3 HIS 11 HB1 HIS 11 51.014 10.321 -3.974 84 HD1 HIS 11 HD1 HIS 11 48.407 11.567 -3.747 85 HD2 HIS 11 HD2 HIS 11 51.705 13.777 -5.136 86 HE1 HIS 11 HE1 HIS 11 47.491 13.585 -5.018 87 H ALA 12 HN ALA 12 49.948 8.977 -1.776 88 HA ALA 12 HA ALA 12 50.602 6.906 -1.051 89 HB1 ALA 12 HB1 ALA 12 53.182 8.140 -0.500 90 HB2 ALA 12 HB2 ALA 12 52.771 7.630 -2.140 91 HB3 ALA 12 HB3 ALA 12 52.893 6.439 -0.819 92 H ALA 13 HN ALA 13 51.769 9.829 0.546 93 HA ALA 13 HA ALA 13 51.734 8.632 3.217 94 HB1 ALA 13 HB1 ALA 13 52.688 10.964 2.797 95 HB2 ALA 13 HB2 ALA 13 51.332 10.982 3.951 96 HB3 ALA 13 HB3 ALA 13 51.072 11.482 2.262 97 H LYS 14 HN LYS 14 50.343 8.672 0.354 98 HA LYS 14 HA LYS 14 47.396 8.576 1.401 99 HB2 LYS 14 HB2 LYS 14 48.279 10.189 -0.463 100 HB3 LYS 14 HB1 LYS 14 48.515 8.682 -1.423 101 HG2 LYS 14 HG2 LYS 14 46.230 8.474 -1.825 102 HG3 LYS 14 HG1 LYS 14 45.768 9.023 -0.199 103 HD2 LYS 14 HD2 LYS 14 46.082 11.348 -0.829 104 HD3 LYS 14 HD1 LYS 14 46.785 10.876 -2.394 105 HE2 LYS 14 HE2 LYS 14 43.951 10.183 -1.512 106 HE3 LYS 14 HE1 LYS 14 44.367 11.567 -2.550 107 HZ1 LYS 14 HZ1 LYS 14 43.861 9.891 -4.046 108 HZ2 LYS 14 HZ2 LYS 14 44.609 8.676 -3.125 109 HZ3 LYS 14 HZ3 LYS 14 45.552 9.809 -3.970 110 H HIS 15 HN HIS 15 46.238 7.292 -0.560 111 HA HIS 15 HA HIS 15 45.601 5.076 -0.971 112 HB2 HIS 15 HB2 HIS 15 46.891 5.938 -2.952 113 HB3 HIS 15 HB1 HIS 15 48.333 5.119 -2.303 114 HD1 HIS 15 HD1 HIS 15 45.140 3.349 -1.647 115 HD2 HIS 15 HD2 HIS 15 48.032 3.403 -4.699 116 HE1 HIS 15 HE1 HIS 15 44.797 1.247 -3.058 117 H ILE 16 HN ILE 16 47.423 5.491 1.465 118 HA ILE 16 HA ILE 16 47.448 2.971 2.397 119 HB ILE 16 HB ILE 16 49.062 2.133 0.857 120 HG12 ILE 16 HG12 ILE 16 51.037 1.609 2.227 121 HG13 ILE 16 HG11 ILE 16 50.599 2.879 3.385 122 HG21 ILE 16 HG21 ILE 16 51.311 3.342 0.599 123 HG22 ILE 16 HG22 ILE 16 50.569 4.708 1.440 124 HG23 ILE 16 HG23 ILE 16 49.924 4.187 -0.128 125 HD11 ILE 16 HD1 ILE 16 49.892 0.487 4.001 126 HD12 ILE 16 HD2 ILE 16 48.719 0.591 2.667 127 HD13 ILE 16 HD3 ILE 16 48.602 1.709 4.045 128 H GLY 17 HN GLY 17 49.208 5.772 2.204 129 HA2 GLY 17 HA1 GLY 17 49.712 5.860 5.103 130 HA3 GLY 17 HA2 GLY 17 50.006 7.171 3.942 131 H HIS 18 HN HIS 18 47.229 6.254 2.794 132 HA HIS 18 HA HIS 18 45.644 8.118 4.554 133 HB2 HIS 18 HB2 HIS 18 45.520 7.195 1.709 134 HB3 HIS 18 HB1 HIS 18 43.939 7.363 2.496 135 HD1 HIS 18 HD1 HIS 18 43.439 9.423 0.923 136 HD2 HIS 18 HD2 HIS 18 46.712 9.953 3.508 137 HE1 HIS 18 HE1 HIS 18 43.972 11.921 0.976 138 H ALA 19 HN ALA 19 45.495 4.767 3.175 139 HA ALA 19 HA ALA 19 44.558 3.516 5.504 140 HB1 ALA 19 HB1 ALA 19 42.547 4.689 5.737 141 HB2 ALA 19 HB2 ALA 19 42.010 3.325 4.735 142 HB3 ALA 19 HB3 ALA 19 42.351 4.903 3.982 143 H ALA 20 HN ALA 20 45.696 3.448 2.552 144 HA ALA 20 HA ALA 20 45.992 1.784 0.957 145 HB1 ALA 20 HB1 ALA 20 44.727 -0.148 2.926 146 HB2 ALA 20 HB2 ALA 20 46.389 0.460 3.118 147 HB3 ALA 20 HB3 ALA 20 45.946 -0.481 1.674 148 H VAL 21 HN VAL 21 43.217 3.059 1.817 149 HA VAL 21 HA VAL 21 41.706 1.761 -0.400 150 HB VAL 21 HB VAL 21 40.540 2.180 2.395 151 HG11 VAL 21 HG11 VAL 21 38.782 2.521 0.828 152 HG12 VAL 21 HG12 VAL 21 38.624 0.808 1.268 153 HG13 VAL 21 HG13 VAL 21 39.391 1.262 -0.271 154 HG21 VAL 21 HG21 VAL 21 41.319 -0.353 0.878 155 HG22 VAL 21 HG22 VAL 21 40.341 -0.343 2.365 156 HG23 VAL 21 HG23 VAL 21 42.020 0.240 2.402 157 H ASN 22 HN ASN 22 42.823 4.346 1.397 158 HA ASN 22 HA ASN 22 42.735 6.602 0.613 159 HB2 ASN 22 HB2 ASN 22 41.136 5.918 -1.296 160 HB3 ASN 22 HB1 ASN 22 39.813 6.253 -0.150 161 HD21 ASN 22 HD21 ASN 22 42.149 7.692 -2.318 162 HD22 ASN 22 HD22 ASN 22 41.762 9.373 -1.937 163 H HIS 23 HN HIS 23 40.089 4.927 2.255 164 HA HIS 23 HA HIS 23 40.429 6.474 4.655 165 HB2 HIS 23 HB2 HIS 23 39.331 8.253 3.316 166 HB3 HIS 23 HB1 HIS 23 37.961 7.162 3.003 167 HD1 HIS 23 HD1 HIS 23 39.837 7.609 6.312 168 HD2 HIS 23 HD2 HIS 23 36.010 8.209 4.680 169 HE1 HIS 23 HE1 HIS 23 38.306 8.355 8.216 170 H TYR 24 HN TYR 24 40.274 4.689 5.869 171 HA TYR 24 HA TYR 24 37.661 3.586 6.389 172 HB2 TYR 24 HB2 TYR 24 38.219 2.439 4.195 173 HB3 TYR 24 HB1 TYR 24 39.590 1.666 5.027 174 HD1 TYR 24 HD1 TYR 24 39.234 -0.045 6.736 175 HD2 TYR 24 HD2 TYR 24 35.892 1.897 4.818 176 HE1 TYR 24 HE1 TYR 24 37.698 -1.777 7.659 177 HE2 TYR 24 HE2 TYR 24 34.357 0.166 5.739 178 HH TYR 24 HH TYR 24 35.397 -2.661 7.346 179 H LEU 25 HN LEU 25 40.877 4.197 7.002 180 HA LEU 25 HA LEU 25 41.408 2.074 8.924 181 HB2 LEU 25 HB2 LEU 25 43.280 3.186 7.891 182 HB3 LEU 25 HB1 LEU 25 42.685 4.784 8.388 183 HG LEU 25 HG LEU 25 43.143 4.318 10.722 184 HD11 LEU 25 HD11 LEU 25 43.605 1.477 9.733 185 HD12 LEU 25 HD12 LEU 25 42.500 2.040 11.010 186 HD13 LEU 25 HD13 LEU 25 44.256 2.043 11.289 187 HD21 LEU 25 HD21 LEU 25 45.076 5.004 9.335 188 HD22 LEU 25 HD22 LEU 25 45.429 3.298 8.974 189 HD23 LEU 25 HD23 LEU 25 45.590 3.907 10.638 Start of MODEL 22 1 H1 GLY 1 HT1 GLY 1 66.787 21.146 -6.455 2 H2 GLY 1 HT2 GLY 1 66.410 20.812 -8.078 3 H3 GLY 1 HT3 GLY 1 66.852 19.551 -7.027 4 HA2 GLY 1 HA1 GLY 1 64.493 21.249 -6.599 5 HA3 GLY 1 HA2 GLY 1 64.447 19.750 -7.549 6 H TRP 2 HN TRP 2 66.143 20.681 -4.527 7 HA TRP 2 HA TRP 2 66.225 19.592 -2.478 8 HB2 TRP 2 HB2 TRP 2 63.318 19.064 -3.210 9 HB3 TRP 2 HB1 TRP 2 64.020 18.773 -1.600 10 HD1 TRP 2 HD1 TRP 2 62.670 21.480 -3.822 11 HE1 TRP 2 HE1 TRP 2 62.775 23.786 -2.624 12 HE3 TRP 2 HE3 TRP 2 65.566 20.173 0.193 13 HZ2 TRP 2 HZ2 TRP 2 63.965 24.881 -0.242 14 HZ3 TRP 2 HZ3 TRP 2 66.172 21.865 1.917 15 HH2 TRP 2 HH2 TRP 2 65.376 24.216 1.702 16 H GLY 3 HN GLY 3 63.769 17.372 -3.739 17 HA2 GLY 3 HA1 GLY 3 65.420 15.322 -4.726 18 HA3 GLY 3 HA2 GLY 3 65.319 15.069 -2.973 19 H SER 4 HN SER 4 62.559 16.652 -4.035 20 HA SER 4 HA SER 4 61.068 14.403 -5.083 21 HB2 SER 4 HB2 SER 4 59.744 13.796 -3.195 22 HB3 SER 4 HB1 SER 4 61.430 13.755 -2.633 23 HG SER 4 HG SER 4 61.036 15.413 -1.376 24 H ILE 5 HN ILE 5 59.629 15.354 -6.350 25 HA ILE 5 HA ILE 5 58.923 18.156 -5.976 26 HB ILE 5 HB ILE 5 57.263 17.610 -7.897 27 HG12 ILE 5 HG12 ILE 5 58.893 15.027 -7.974 28 HG13 ILE 5 HG11 ILE 5 57.261 15.114 -7.280 29 HG21 ILE 5 HG21 ILE 5 59.060 17.584 -9.556 30 HG22 ILE 5 HG22 ILE 5 60.211 16.957 -8.353 31 HG23 ILE 5 HG23 ILE 5 59.559 18.603 -8.190 32 HD11 ILE 5 HD1 ILE 5 58.117 15.523 -10.164 33 HD12 ILE 5 HD2 ILE 5 56.563 16.159 -9.572 34 HD13 ILE 5 HD3 ILE 5 56.892 14.413 -9.514 35 H PHE 6 HN PHE 6 58.170 17.712 -3.690 36 HA PHE 6 HA PHE 6 56.426 17.557 -2.173 37 HB2 PHE 6 HB2 PHE 6 54.748 18.138 -4.646 38 HB3 PHE 6 HB1 PHE 6 54.207 18.301 -2.958 39 HD1 PHE 6 HD1 PHE 6 54.983 20.133 -1.552 40 HD2 PHE 6 HD2 PHE 6 56.482 19.649 -5.571 41 HE1 PHE 6 HE1 PHE 6 55.973 22.418 -1.458 42 HE2 PHE 6 HE2 PHE 6 57.472 21.935 -5.476 43 HZ PHE 6 HZ PHE 6 57.165 23.341 -3.442 44 H LYS 7 HN LYS 7 57.092 15.230 -4.271 45 HA LYS 7 HA LYS 7 54.789 13.607 -4.506 46 HB2 LYS 7 HB2 LYS 7 57.020 13.172 -5.569 47 HB3 LYS 7 HB1 LYS 7 57.627 12.645 -3.980 48 HG2 LYS 7 HG2 LYS 7 55.958 10.863 -3.880 49 HG3 LYS 7 HG1 LYS 7 55.214 11.432 -5.395 50 HD2 LYS 7 HD2 LYS 7 57.394 11.012 -6.569 51 HD3 LYS 7 HD1 LYS 7 58.034 10.321 -5.058 52 HE2 LYS 7 HE2 LYS 7 57.222 8.503 -6.475 53 HE3 LYS 7 HE1 LYS 7 56.142 8.668 -5.071 54 HZ1 LYS 7 HZ1 LYS 7 55.104 10.378 -6.934 55 HZ2 LYS 7 HZ2 LYS 7 54.509 8.833 -6.551 56 HZ3 LYS 7 HZ3 LYS 7 55.578 9.035 -7.856 57 H HIS 8 HN HIS 8 57.404 13.088 -2.096 58 HA HIS 8 HA HIS 8 55.522 11.626 -0.358 59 HB2 HIS 8 HB2 HIS 8 57.935 10.971 -0.678 60 HB3 HIS 8 HB1 HIS 8 58.400 12.457 0.185 61 HD1 HIS 8 HD1 HIS 8 59.139 11.696 2.458 62 HD2 HIS 8 HD2 HIS 8 55.607 9.785 1.215 63 HE1 HIS 8 HE1 HIS 8 58.290 10.311 4.429 64 H GLY 9 HN GLY 9 54.145 13.691 -0.290 65 HA2 GLY 9 HA1 GLY 9 54.601 14.915 2.322 66 HA3 GLY 9 HA2 GLY 9 54.809 16.054 0.975 67 H ARG 10 HN ARG 10 52.754 14.208 -0.482 68 HA ARG 10 HA ARG 10 50.265 14.897 0.981 69 HB2 ARG 10 HB2 ARG 10 49.332 16.190 -0.889 70 HB3 ARG 10 HB1 ARG 10 50.802 16.978 -0.266 71 HG2 ARG 10 HG2 ARG 10 52.098 15.730 -2.083 72 HG3 ARG 10 HG1 ARG 10 50.522 15.276 -2.776 73 HD2 ARG 10 HD2 ARG 10 51.591 18.099 -2.344 74 HD3 ARG 10 HD1 ARG 10 51.296 17.290 -3.902 75 HE ARG 10 HE ARG 10 48.843 17.283 -2.483 76 HH11 ARG 10 HH11 ARG 10 48.159 18.333 -4.837 77 HH12 ARG 10 HH12 ARG 10 48.276 20.058 -4.737 78 HH21 ARG 10 HH21 ARG 10 50.273 20.022 -1.902 79 HH22 ARG 10 HH22 ARG 10 49.473 21.014 -3.075 80 H HIS 11 HN HIS 11 52.123 12.874 -0.845 81 HA HIS 11 HA HIS 11 49.717 11.276 -1.649 82 HB2 HIS 11 HB2 HIS 11 52.158 11.786 -3.405 83 HB3 HIS 11 HB1 HIS 11 50.840 10.645 -3.768 84 HD1 HIS 11 HD1 HIS 11 51.748 13.490 -5.255 85 HD2 HIS 11 HD2 HIS 11 48.278 12.618 -3.053 86 HE1 HIS 11 HE1 HIS 11 49.971 15.197 -5.927 87 H ALA 12 HN ALA 12 49.871 9.208 -1.636 88 HA ALA 12 HA ALA 12 50.539 7.111 -1.007 89 HB1 ALA 12 HB1 ALA 12 52.826 6.640 -0.797 90 HB2 ALA 12 HB2 ALA 12 53.107 8.333 -0.388 91 HB3 ALA 12 HB3 ALA 12 52.710 7.895 -2.052 92 H ALA 13 HN ALA 13 51.669 9.969 0.726 93 HA ALA 13 HA ALA 13 51.644 8.645 3.340 94 HB1 ALA 13 HB1 ALA 13 52.582 10.951 3.202 95 HB2 ALA 13 HB2 ALA 13 51.056 11.008 4.117 96 HB3 ALA 13 HB3 ALA 13 51.093 11.529 2.416 97 H LYS 14 HN LYS 14 50.261 8.799 0.480 98 HA LYS 14 HA LYS 14 47.313 8.615 1.507 99 HB2 LYS 14 HB2 LYS 14 48.174 10.341 -0.263 100 HB3 LYS 14 HB1 LYS 14 48.444 8.891 -1.300 101 HG2 LYS 14 HG2 LYS 14 46.168 8.665 -1.733 102 HG3 LYS 14 HG1 LYS 14 45.683 9.101 -0.078 103 HD2 LYS 14 HD2 LYS 14 45.916 11.461 -0.555 104 HD3 LYS 14 HD1 LYS 14 46.684 11.124 -2.126 105 HE2 LYS 14 HE2 LYS 14 44.182 11.747 -2.176 106 HE3 LYS 14 HE1 LYS 14 44.656 10.276 -3.057 107 HZ1 LYS 14 HZ1 LYS 14 43.537 8.978 -1.636 108 HZ2 LYS 14 HZ2 LYS 14 42.704 10.396 -1.208 109 HZ3 LYS 14 HZ3 LYS 14 44.011 9.858 -0.266 110 H HIS 15 HN HIS 15 46.190 7.408 -0.549 111 HA HIS 15 HA HIS 15 45.601 5.198 -1.067 112 HB2 HIS 15 HB2 HIS 15 46.873 6.180 -2.996 113 HB3 HIS 15 HB1 HIS 15 48.338 5.378 -2.378 114 HD1 HIS 15 HD1 HIS 15 44.712 4.388 -3.241 115 HD2 HIS 15 HD2 HIS 15 48.605 2.804 -3.337 116 HE1 HIS 15 HE1 HIS 15 44.574 2.097 -4.361 117 H ILE 16 HN ILE 16 47.334 5.524 1.413 118 HA ILE 16 HA ILE 16 47.431 2.979 2.229 119 HB ILE 16 HB ILE 16 49.085 2.215 0.703 120 HG12 ILE 16 HG12 ILE 16 50.704 2.980 3.166 121 HG13 ILE 16 HG11 ILE 16 49.476 1.697 3.186 122 HG21 ILE 16 HG21 ILE 16 49.911 4.343 -0.208 123 HG22 ILE 16 HG22 ILE 16 51.302 3.487 0.481 124 HG23 ILE 16 HG23 ILE 16 50.547 4.801 1.383 125 HD11 ILE 16 HD1 ILE 16 52.158 1.756 1.778 126 HD12 ILE 16 HD2 ILE 16 50.845 0.775 1.083 127 HD13 ILE 16 HD3 ILE 16 51.415 0.457 2.735 128 H GLY 17 HN GLY 17 49.178 5.795 2.187 129 HA2 GLY 17 HA1 GLY 17 49.665 5.755 5.085 130 HA3 GLY 17 HA2 GLY 17 49.935 7.129 3.992 131 H HIS 18 HN HIS 18 47.184 6.235 2.800 132 HA HIS 18 HA HIS 18 45.560 7.981 4.639 133 HB2 HIS 18 HB2 HIS 18 45.466 7.177 1.757 134 HB3 HIS 18 HB1 HIS 18 43.877 7.278 2.542 135 HD1 HIS 18 HD1 HIS 18 43.341 9.396 1.058 136 HD2 HIS 18 HD2 HIS 18 46.598 9.878 3.673 137 HE1 HIS 18 HE1 HIS 18 43.827 11.899 1.218 138 H ALA 19 HN ALA 19 45.468 4.719 3.083 139 HA ALA 19 HA ALA 19 44.625 3.251 5.295 140 HB1 ALA 19 HB1 ALA 19 42.618 4.416 5.715 141 HB2 ALA 19 HB2 ALA 19 42.064 3.073 4.698 142 HB3 ALA 19 HB3 ALA 19 42.302 4.685 3.984 143 H ALA 20 HN ALA 20 45.647 3.496 2.329 144 HA ALA 20 HA ALA 20 45.856 2.030 0.541 145 HB1 ALA 20 HB1 ALA 20 46.368 0.473 2.508 146 HB2 ALA 20 HB2 ALA 20 45.837 -0.305 0.999 147 HB3 ALA 20 HB3 ALA 20 44.696 -0.110 2.351 148 H VAL 21 HN VAL 21 43.143 3.230 1.634 149 HA VAL 21 HA VAL 21 41.511 2.101 -0.596 150 HB VAL 21 HB VAL 21 40.539 2.305 2.295 151 HG11 VAL 21 HG11 VAL 21 38.689 2.921 0.934 152 HG12 VAL 21 HG12 VAL 21 38.464 1.178 1.184 153 HG13 VAL 21 HG13 VAL 21 39.134 1.775 -0.352 154 HG21 VAL 21 HG21 VAL 21 40.198 -0.176 2.007 155 HG22 VAL 21 HG22 VAL 21 41.906 0.306 1.930 156 HG23 VAL 21 HG23 VAL 21 41.020 -0.069 0.432 157 H ASN 22 HN ASN 22 42.691 4.611 1.323 158 HA ASN 22 HA ASN 22 42.571 6.903 0.599 159 HB2 ASN 22 HB2 ASN 22 40.884 6.325 -1.237 160 HB3 ASN 22 HB1 ASN 22 39.615 6.531 0.000 161 HD21 ASN 22 HD21 ASN 22 40.457 8.208 -2.501 162 HD22 ASN 22 HD22 ASN 22 40.603 9.841 -1.843 163 H HIS 23 HN HIS 23 40.064 5.167 2.355 164 HA HIS 23 HA HIS 23 39.408 5.460 4.577 165 HB2 HIS 23 HB2 HIS 23 41.685 6.795 4.816 166 HB3 HIS 23 HB1 HIS 23 40.643 8.232 4.752 167 HD1 HIS 23 HD1 HIS 23 42.150 7.618 7.361 168 HD2 HIS 23 HD2 HIS 23 38.242 6.308 6.537 169 HE1 HIS 23 HE1 HIS 23 41.027 7.116 9.601 170 H TYR 24 HN TYR 24 38.107 6.362 2.071 171 HA TYR 24 HA TYR 24 36.758 8.837 2.420 172 HB2 TYR 24 HB2 TYR 24 36.711 7.505 0.331 173 HB3 TYR 24 HB1 TYR 24 35.704 6.281 1.143 174 HD1 TYR 24 HD1 TYR 24 33.368 6.735 1.713 175 HD2 TYR 24 HD2 TYR 24 35.815 9.742 -0.185 176 HE1 TYR 24 HE1 TYR 24 31.328 8.074 1.204 177 HE2 TYR 24 HE2 TYR 24 33.774 11.080 -0.694 178 HH TYR 24 HH TYR 24 30.620 10.185 0.607 179 H LEU 25 HN LEU 25 36.475 5.850 4.131 180 HA LEU 25 HA LEU 25 33.725 6.161 4.996 181 HB2 LEU 25 HB2 LEU 25 36.107 4.554 5.979 182 HB3 LEU 25 HB1 LEU 25 34.566 4.553 6.865 183 HG LEU 25 HG LEU 25 33.375 3.694 4.928 184 HD11 LEU 25 HD11 LEU 25 36.023 4.171 3.504 185 HD12 LEU 25 HD12 LEU 25 34.409 4.790 3.075 186 HD13 LEU 25 HD13 LEU 25 34.788 3.066 2.853 187 HD21 LEU 25 HD21 LEU 25 36.017 2.222 5.343 188 HD22 LEU 25 HD22 LEU 25 34.543 1.515 4.639 189 HD23 LEU 25 HD23 LEU 25 34.553 2.042 6.339 Start of MODEL 23 1 H1 GLY 1 HT1 GLY 1 66.937 20.580 2.049 2 H2 GLY 1 HT2 GLY 1 67.872 21.489 0.958 3 H3 GLY 1 HT3 GLY 1 68.149 19.822 1.139 4 HA2 GLY 1 HA1 GLY 1 65.841 21.177 -0.073 5 HA3 GLY 1 HA2 GLY 1 67.000 20.076 -0.846 6 H TRP 2 HN TRP 2 63.967 20.088 -0.377 7 HA TRP 2 HA TRP 2 63.242 18.042 1.433 8 HB2 TRP 2 HB2 TRP 2 62.042 18.642 -1.301 9 HB3 TRP 2 HB1 TRP 2 61.253 17.734 0.012 10 HD1 TRP 2 HD1 TRP 2 60.614 19.102 2.237 11 HE1 TRP 2 HE1 TRP 2 60.090 21.618 2.636 12 HE3 TRP 2 HE3 TRP 2 62.613 21.034 -2.062 13 HZ2 TRP 2 HZ2 TRP 2 60.499 24.110 1.253 14 HZ3 TRP 2 HZ3 TRP 2 62.534 23.484 -2.503 15 HH2 TRP 2 HH2 TRP 2 61.480 25.022 -0.851 16 H GLY 3 HN GLY 3 62.581 15.817 0.991 17 HA2 GLY 3 HA1 GLY 3 64.722 14.386 -0.376 18 HA3 GLY 3 HA2 GLY 3 63.325 13.676 0.457 19 H SER 4 HN SER 4 61.629 15.618 -1.271 20 HA SER 4 HA SER 4 61.958 14.602 -3.986 21 HB2 SER 4 HB2 SER 4 61.015 12.576 -3.000 22 HB3 SER 4 HB1 SER 4 59.695 13.512 -2.264 23 HG SER 4 HG SER 4 59.794 12.447 -4.683 24 H ILE 5 HN ILE 5 59.895 15.151 -5.307 25 HA ILE 5 HA ILE 5 59.348 17.970 -4.800 26 HB ILE 5 HB ILE 5 57.932 16.179 -6.820 27 HG12 ILE 5 HG12 ILE 5 60.613 17.624 -7.079 28 HG13 ILE 5 HG11 ILE 5 60.391 15.861 -7.003 29 HG21 ILE 5 HG21 ILE 5 57.566 18.219 -8.026 30 HG22 ILE 5 HG22 ILE 5 58.723 19.115 -7.013 31 HG23 ILE 5 HG23 ILE 5 57.165 18.591 -6.335 32 HD11 ILE 5 HD1 ILE 5 58.812 16.172 -9.054 33 HD12 ILE 5 HD2 ILE 5 60.565 16.315 -9.325 34 HD13 ILE 5 HD3 ILE 5 59.563 17.780 -9.205 35 H PHE 6 HN PHE 6 58.436 17.457 -2.583 36 HA PHE 6 HA PHE 6 56.602 17.271 -1.173 37 HB2 PHE 6 HB2 PHE 6 55.159 18.208 -3.685 38 HB3 PHE 6 HB1 PHE 6 54.476 18.220 -2.040 39 HD1 PHE 6 HD1 PHE 6 56.733 19.894 -4.391 40 HD2 PHE 6 HD2 PHE 6 55.543 19.632 -0.249 41 HE1 PHE 6 HE1 PHE 6 57.834 22.082 -3.934 42 HE2 PHE 6 HE2 PHE 6 56.644 21.820 0.206 43 HZ PHE 6 HZ PHE 6 57.750 23.066 -1.647 44 H LYS 7 HN LYS 7 57.284 15.049 -3.312 45 HA LYS 7 HA LYS 7 54.841 13.646 -3.810 46 HB2 LYS 7 HB2 LYS 7 57.153 13.247 -4.852 47 HB3 LYS 7 HB1 LYS 7 57.562 12.367 -3.366 48 HG2 LYS 7 HG2 LYS 7 56.780 10.614 -4.723 49 HG3 LYS 7 HG1 LYS 7 55.300 11.051 -3.843 50 HD2 LYS 7 HD2 LYS 7 54.507 12.379 -5.739 51 HD3 LYS 7 HD1 LYS 7 56.048 12.144 -6.599 52 HE2 LYS 7 HE2 LYS 7 54.236 9.852 -5.742 53 HE3 LYS 7 HE1 LYS 7 54.167 10.612 -7.349 54 HZ1 LYS 7 HZ1 LYS 7 56.811 10.134 -7.013 55 HZ2 LYS 7 HZ2 LYS 7 55.739 9.135 -7.875 56 HZ3 LYS 7 HZ3 LYS 7 56.114 8.786 -6.255 57 H HIS 8 HN HIS 8 57.296 13.286 -1.218 58 HA HIS 8 HA HIS 8 55.611 11.340 0.215 59 HB2 HIS 8 HB2 HIS 8 57.418 11.536 1.953 60 HB3 HIS 8 HB1 HIS 8 58.019 11.087 0.339 61 HD1 HIS 8 HD1 HIS 8 57.048 14.588 0.292 62 HD2 HIS 8 HD2 HIS 8 60.453 12.449 1.532 63 HE1 HIS 8 HE1 HIS 8 58.975 16.256 0.460 64 H GLY 9 HN GLY 9 54.115 13.612 -0.208 65 HA2 GLY 9 HA1 GLY 9 53.465 14.333 2.537 66 HA3 GLY 9 HA2 GLY 9 54.181 15.684 1.636 67 H ARG 10 HN ARG 10 52.751 13.864 -0.674 68 HA ARG 10 HA ARG 10 49.984 14.919 -0.271 69 HB2 ARG 10 HB2 ARG 10 51.562 15.466 -2.814 70 HB3 ARG 10 HB1 ARG 10 49.933 16.051 -2.395 71 HG2 ARG 10 HG2 ARG 10 50.950 17.270 -0.432 72 HG3 ARG 10 HG1 ARG 10 52.558 16.804 -1.039 73 HD2 ARG 10 HD2 ARG 10 52.102 17.958 -3.173 74 HD3 ARG 10 HD1 ARG 10 50.481 18.409 -2.593 75 HE ARG 10 HE ARG 10 52.982 19.713 -1.862 76 HH11 ARG 10 HH11 ARG 10 49.642 19.788 -1.662 77 HH12 ARG 10 HH12 ARG 10 49.570 20.667 -0.171 78 HH21 ARG 10 HH21 ARG 10 52.979 20.448 0.429 79 HH22 ARG 10 HH22 ARG 10 51.458 21.040 1.014 80 H HIS 11 HN HIS 11 52.011 12.446 -0.931 81 HA HIS 11 HA HIS 11 49.842 10.838 -2.061 82 HB2 HIS 11 HB2 HIS 11 50.840 11.867 -4.126 83 HB3 HIS 11 HB1 HIS 11 52.409 11.158 -3.673 84 HD1 HIS 11 HD1 HIS 11 52.735 8.615 -3.950 85 HD2 HIS 11 HD2 HIS 11 48.906 9.973 -5.035 86 HE1 HIS 11 HE1 HIS 11 51.542 6.680 -5.118 87 H ALA 12 HN ALA 12 49.987 8.826 -1.787 88 HA ALA 12 HA ALA 12 50.609 6.815 -0.916 89 HB1 ALA 12 HB1 ALA 12 53.151 8.076 -0.273 90 HB2 ALA 12 HB2 ALA 12 52.846 7.466 -1.903 91 HB3 ALA 12 HB3 ALA 12 52.870 6.362 -0.504 92 H ALA 13 HN ALA 13 51.616 9.852 0.532 93 HA ALA 13 HA ALA 13 51.426 8.864 3.283 94 HB1 ALA 13 HB1 ALA 13 52.367 11.135 2.959 95 HB2 ALA 13 HB2 ALA 13 50.757 11.310 3.697 96 HB3 ALA 13 HB3 ALA 13 50.974 11.602 1.954 97 H LYS 14 HN LYS 14 50.242 8.608 0.354 98 HA LYS 14 HA LYS 14 47.235 8.512 1.212 99 HB2 LYS 14 HB2 LYS 14 48.193 10.084 -0.659 100 HB3 LYS 14 HB1 LYS 14 48.542 8.547 -1.534 101 HG2 LYS 14 HG2 LYS 14 46.302 8.254 -2.096 102 HG3 LYS 14 HG1 LYS 14 45.706 8.821 -0.519 103 HD2 LYS 14 HD2 LYS 14 45.981 11.144 -1.187 104 HD3 LYS 14 HD1 LYS 14 46.797 10.660 -2.693 105 HE2 LYS 14 HE2 LYS 14 44.466 11.205 -3.191 106 HE3 LYS 14 HE1 LYS 14 44.704 9.451 -3.381 107 HZ1 LYS 14 HZ1 LYS 14 42.763 10.558 -1.904 108 HZ2 LYS 14 HZ2 LYS 14 43.952 10.318 -0.716 109 HZ3 LYS 14 HZ3 LYS 14 43.388 9.005 -1.636 110 H HIS 15 HN HIS 15 46.258 7.101 -0.806 111 HA HIS 15 HA HIS 15 45.752 4.838 -1.164 112 HB2 HIS 15 HB2 HIS 15 48.548 5.168 -2.298 113 HB3 HIS 15 HB1 HIS 15 47.424 3.853 -2.719 114 HD1 HIS 15 HD1 HIS 15 48.562 6.780 -4.203 115 HD2 HIS 15 HD2 HIS 15 44.691 5.364 -3.366 116 HE1 HIS 15 HE1 HIS 15 46.942 8.044 -5.722 117 H ILE 16 HN ILE 16 47.179 5.403 1.448 118 HA ILE 16 HA ILE 16 47.315 2.984 2.535 119 HB ILE 16 HB ILE 16 49.076 2.101 1.108 120 HG12 ILE 16 HG12 ILE 16 50.476 3.011 3.660 121 HG13 ILE 16 HG11 ILE 16 49.287 1.693 3.607 122 HG21 ILE 16 HG21 ILE 16 51.325 3.389 1.038 123 HG22 ILE 16 HG22 ILE 16 50.438 4.756 1.719 124 HG23 ILE 16 HG23 ILE 16 50.002 4.133 0.116 125 HD11 ILE 16 HD1 ILE 16 52.101 1.773 2.515 126 HD12 ILE 16 HD2 ILE 16 50.903 0.789 1.642 127 HD13 ILE 16 HD3 ILE 16 51.250 0.459 3.353 128 H GLY 17 HN GLY 17 48.782 5.934 2.214 129 HA2 GLY 17 HA1 GLY 17 49.241 6.148 5.139 130 HA3 GLY 17 HA2 GLY 17 49.553 7.404 3.928 131 H HIS 18 HN HIS 18 46.880 6.266 2.696 132 HA HIS 18 HA HIS 18 45.125 8.183 4.232 133 HB2 HIS 18 HB2 HIS 18 45.068 8.420 1.804 134 HB3 HIS 18 HB1 HIS 18 44.683 6.699 1.605 135 HD1 HIS 18 HD1 HIS 18 42.428 7.472 0.397 136 HD2 HIS 18 HD2 HIS 18 42.786 8.682 4.404 137 HE1 HIS 18 HE1 HIS 18 40.103 8.167 1.196 138 H ALA 19 HN ALA 19 45.458 4.682 3.407 139 HA ALA 19 HA ALA 19 43.497 4.174 5.642 140 HB1 ALA 19 HB1 ALA 19 42.155 2.636 4.296 141 HB2 ALA 19 HB2 ALA 19 43.104 3.054 2.854 142 HB3 ALA 19 HB3 ALA 19 42.097 4.288 3.644 143 H ALA 20 HN ALA 20 46.449 3.664 5.003 144 HA ALA 20 HA ALA 20 47.951 1.960 5.502 145 HB1 ALA 20 HB1 ALA 20 46.342 1.821 7.491 146 HB2 ALA 20 HB2 ALA 20 47.347 0.390 7.158 147 HB3 ALA 20 HB3 ALA 20 45.635 0.407 6.676 148 H VAL 21 HN VAL 21 45.433 1.587 3.342 149 HA VAL 21 HA VAL 21 46.772 -0.763 2.108 150 HB VAL 21 HB VAL 21 43.762 -0.768 2.604 151 HG11 VAL 21 HG11 VAL 21 44.451 -1.949 0.576 152 HG12 VAL 21 HG12 VAL 21 44.014 -3.140 1.823 153 HG13 VAL 21 HG13 VAL 21 45.727 -2.807 1.472 154 HG21 VAL 21 HG21 VAL 21 46.023 -2.248 4.019 155 HG22 VAL 21 HG22 VAL 21 44.310 -2.712 4.139 156 HG23 VAL 21 HG23 VAL 21 44.845 -1.130 4.749 157 H ASN 22 HN ASN 22 44.482 1.929 2.020 158 HA ASN 22 HA ASN 22 45.162 2.616 -0.674 159 HB2 ASN 22 HB2 ASN 22 42.827 0.753 -0.307 160 HB3 ASN 22 HB1 ASN 22 42.594 2.100 -1.442 161 HD21 ASN 22 HD21 ASN 22 43.052 -0.987 -1.777 162 HD22 ASN 22 HD22 ASN 22 44.331 -1.052 -2.994 163 H HIS 23 HN HIS 23 41.800 2.620 0.369 164 HA HIS 23 HA HIS 23 42.032 5.340 1.546 165 HB2 HIS 23 HB2 HIS 23 40.180 6.135 -0.017 166 HB3 HIS 23 HB1 HIS 23 41.783 5.936 -0.764 167 HD1 HIS 23 HD1 HIS 23 38.577 3.873 -0.233 168 HD2 HIS 23 HD2 HIS 23 41.773 4.222 -2.940 169 HE1 HIS 23 HE1 HIS 23 38.073 2.333 -2.208 170 H TYR 24 HN TYR 24 41.268 2.526 2.317 171 HA TYR 24 HA TYR 24 38.381 2.508 2.625 172 HB2 TYR 24 HB2 TYR 24 39.932 0.487 2.626 173 HB3 TYR 24 HB1 TYR 24 40.422 0.965 4.269 174 HD1 TYR 24 HD1 TYR 24 39.022 0.488 6.158 175 HD2 TYR 24 HD2 TYR 24 37.473 0.030 2.154 176 HE1 TYR 24 HE1 TYR 24 36.985 -0.619 7.071 177 HE2 TYR 24 HE2 TYR 24 35.437 -1.077 3.069 178 HH TYR 24 HH TYR 24 35.225 -2.206 6.260 179 H LEU 25 HN LEU 25 40.326 4.736 3.773 180 HA LEU 25 HA LEU 25 40.277 6.153 5.600 181 HB2 LEU 25 HB2 LEU 25 37.726 5.838 4.959 182 HB3 LEU 25 HB1 LEU 25 37.641 4.942 6.490 183 HG LEU 25 HG LEU 25 38.665 7.803 6.160 184 HD11 LEU 25 HD11 LEU 25 36.127 6.794 7.511 185 HD12 LEU 25 HD12 LEU 25 36.174 7.421 5.845 186 HD13 LEU 25 HD13 LEU 25 36.594 8.484 7.209 187 HD21 LEU 25 HD21 LEU 25 38.393 5.925 8.543 188 HD22 LEU 25 HD22 LEU 25 38.392 7.692 8.751 189 HD23 LEU 25 HD23 LEU 25 39.805 6.884 8.039 Start of MODEL 24 1 H1 GLY 1 HT1 GLY 1 68.491 20.522 -2.494 2 H2 GLY 1 HT2 GLY 1 67.209 21.169 -1.584 3 H3 GLY 1 HT3 GLY 1 68.336 22.201 -2.328 4 HA2 GLY 1 HA1 GLY 1 66.000 21.727 -3.345 5 HA3 GLY 1 HA2 GLY 1 67.442 22.026 -4.336 6 H TRP 2 HN TRP 2 65.990 19.271 -2.535 7 HA TRP 2 HA TRP 2 67.056 17.256 -4.231 8 HB2 TRP 2 HB2 TRP 2 64.484 17.278 -2.600 9 HB3 TRP 2 HB1 TRP 2 65.233 15.825 -3.306 10 HD1 TRP 2 HD1 TRP 2 67.974 15.568 -2.560 11 HE1 TRP 2 HE1 TRP 2 68.992 15.802 -0.178 12 HE3 TRP 2 HE3 TRP 2 64.242 18.290 -0.351 13 HZ2 TRP 2 HZ2 TRP 2 68.257 17.015 2.328 14 HZ3 TRP 2 HZ3 TRP 2 64.422 18.975 2.037 15 HH2 TRP 2 HH2 TRP 2 66.425 18.341 3.377 16 H GLY 3 HN GLY 3 63.581 17.194 -4.149 17 HA2 GLY 3 HA1 GLY 3 63.057 18.358 -6.710 18 HA3 GLY 3 HA2 GLY 3 63.324 16.614 -6.903 19 H SER 4 HN SER 4 62.263 16.525 -3.940 20 HA SER 4 HA SER 4 59.498 15.924 -4.755 21 HB2 SER 4 HB2 SER 4 60.917 15.787 -2.067 22 HB3 SER 4 HB1 SER 4 59.258 15.227 -2.370 23 HG SER 4 HG SER 4 60.018 13.589 -3.527 24 H ILE 5 HN ILE 5 59.234 18.296 -5.402 25 HA ILE 5 HA ILE 5 59.163 20.458 -3.685 26 HB ILE 5 HB ILE 5 56.731 20.025 -5.456 27 HG12 ILE 5 HG12 ILE 5 58.473 20.935 -7.321 28 HG13 ILE 5 HG11 ILE 5 59.639 20.034 -6.327 29 HG21 ILE 5 HG21 ILE 5 56.958 22.371 -5.866 30 HG22 ILE 5 HG22 ILE 5 58.621 22.401 -5.235 31 HG23 ILE 5 HG23 ILE 5 57.252 22.157 -4.125 32 HD11 ILE 5 HD1 ILE 5 57.834 18.086 -6.486 33 HD12 ILE 5 HD2 ILE 5 58.925 18.391 -7.858 34 HD13 ILE 5 HD3 ILE 5 57.256 19.006 -7.895 35 H PHE 6 HN PHE 6 56.624 17.957 -4.022 36 HA PHE 6 HA PHE 6 55.841 18.336 -1.219 37 HB2 PHE 6 HB2 PHE 6 53.996 19.185 -3.485 38 HB3 PHE 6 HB1 PHE 6 53.418 18.801 -1.847 39 HD1 PHE 6 HD1 PHE 6 54.461 20.071 0.137 40 HD2 PHE 6 HD2 PHE 6 54.893 21.344 -3.965 41 HE1 PHE 6 HE1 PHE 6 55.067 22.360 0.911 42 HE2 PHE 6 HE2 PHE 6 55.498 23.633 -3.190 43 HZ PHE 6 HZ PHE 6 55.487 24.164 -0.756 44 H LYS 7 HN LYS 7 56.291 16.543 -3.968 45 HA LYS 7 HA LYS 7 54.202 14.669 -4.048 46 HB2 LYS 7 HB2 LYS 7 56.131 14.724 -5.617 47 HB3 LYS 7 HB1 LYS 7 57.178 14.089 -4.324 48 HG2 LYS 7 HG2 LYS 7 55.912 12.034 -4.200 49 HG3 LYS 7 HG1 LYS 7 54.652 12.681 -5.277 50 HD2 LYS 7 HD2 LYS 7 56.206 12.756 -7.149 51 HD3 LYS 7 HD1 LYS 7 57.564 12.299 -6.091 52 HE2 LYS 7 HE2 LYS 7 55.100 10.553 -6.490 53 HE3 LYS 7 HE1 LYS 7 56.579 10.390 -7.464 54 HZ1 LYS 7 HZ1 LYS 7 56.327 10.085 -4.516 55 HZ2 LYS 7 HZ2 LYS 7 57.811 10.128 -5.339 56 HZ3 LYS 7 HZ3 LYS 7 56.703 8.876 -5.643 57 H HIS 8 HN HIS 8 57.231 14.435 -2.115 58 HA HIS 8 HA HIS 8 56.180 12.147 -0.612 59 HB2 HIS 8 HB2 HIS 8 58.610 12.478 -1.119 60 HB3 HIS 8 HB1 HIS 8 58.606 13.891 -0.035 61 HD1 HIS 8 HD1 HIS 8 57.319 10.260 0.210 62 HD2 HIS 8 HD2 HIS 8 59.340 13.143 2.509 63 HE1 HIS 8 HE1 HIS 8 57.901 9.178 2.450 64 H GLY 9 HN GLY 9 54.314 14.139 -0.404 65 HA2 GLY 9 HA1 GLY 9 54.104 14.417 2.454 66 HA3 GLY 9 HA2 GLY 9 54.564 15.965 1.717 67 H ARG 10 HN ARG 10 52.840 14.111 -0.494 68 HA ARG 10 HA ARG 10 50.152 14.970 0.434 69 HB2 ARG 10 HB2 ARG 10 51.451 16.023 -2.113 70 HB3 ARG 10 HB1 ARG 10 49.712 16.128 -1.755 71 HG2 ARG 10 HG2 ARG 10 50.351 17.319 0.418 72 HG3 ARG 10 HG1 ARG 10 52.009 17.415 -0.224 73 HD2 ARG 10 HD2 ARG 10 50.839 19.486 -0.768 74 HD3 ARG 10 HD1 ARG 10 51.090 18.561 -2.268 75 HE ARG 10 HE ARG 10 48.555 17.808 -1.269 76 HH11 ARG 10 HH11 ARG 10 49.396 20.958 -0.967 77 HH12 ARG 10 HH12 ARG 10 48.335 21.584 -2.184 78 HH21 ARG 10 HH21 ARG 10 47.519 18.462 -3.454 79 HH22 ARG 10 HH22 ARG 10 47.272 20.171 -3.592 80 H HIS 11 HN HIS 11 52.015 12.597 -0.563 81 HA HIS 11 HA HIS 11 49.776 11.126 -1.747 82 HB2 HIS 11 HB2 HIS 11 50.783 12.317 -3.738 83 HB3 HIS 11 HB1 HIS 11 52.305 11.458 -3.406 84 HD1 HIS 11 HD1 HIS 11 48.849 9.909 -2.993 85 HD2 HIS 11 HD2 HIS 11 52.117 9.723 -5.633 86 HE1 HIS 11 HE1 HIS 11 48.460 7.918 -4.546 87 H ALA 12 HN ALA 12 49.893 9.068 -1.684 88 HA ALA 12 HA ALA 12 50.499 6.967 -1.007 89 HB1 ALA 12 HB1 ALA 12 52.709 7.692 -2.013 90 HB2 ALA 12 HB2 ALA 12 52.769 6.452 -0.735 91 HB3 ALA 12 HB3 ALA 12 53.081 8.148 -0.361 92 H ALA 13 HN ALA 13 51.653 9.822 0.713 93 HA ALA 13 HA ALA 13 51.541 8.540 3.341 94 HB1 ALA 13 HB1 ALA 13 52.455 10.740 3.522 95 HB2 ALA 13 HB2 ALA 13 50.735 11.048 3.860 96 HB3 ALA 13 HB3 ALA 13 51.397 11.378 2.241 97 H LYS 14 HN LYS 14 50.224 8.683 0.442 98 HA LYS 14 HA LYS 14 47.253 8.586 1.405 99 HB2 LYS 14 HB2 LYS 14 48.204 10.254 -0.372 100 HB3 LYS 14 HB1 LYS 14 48.445 8.782 -1.382 101 HG2 LYS 14 HG2 LYS 14 46.172 8.638 -1.864 102 HG3 LYS 14 HG1 LYS 14 45.671 9.090 -0.219 103 HD2 LYS 14 HD2 LYS 14 46.162 11.469 -0.727 104 HD3 LYS 14 HD1 LYS 14 46.665 11.011 -2.373 105 HE2 LYS 14 HE2 LYS 14 44.424 10.170 -2.874 106 HE3 LYS 14 HE1 LYS 14 43.902 10.471 -1.198 107 HZ1 LYS 14 HZ1 LYS 14 43.983 12.269 -3.378 108 HZ2 LYS 14 HZ2 LYS 14 45.004 12.841 -2.146 109 HZ3 LYS 14 HZ3 LYS 14 43.368 12.516 -1.817 110 H HIS 15 HN HIS 15 46.134 7.378 -0.653 111 HA HIS 15 HA HIS 15 45.496 5.175 -1.155 112 HB2 HIS 15 HB2 HIS 15 46.880 6.112 -3.052 113 HB3 HIS 15 HB1 HIS 15 48.269 5.218 -2.392 114 HD1 HIS 15 HD1 HIS 15 48.348 2.674 -2.708 115 HD2 HIS 15 HD2 HIS 15 44.808 4.437 -4.137 116 HE1 HIS 15 HE1 HIS 15 47.081 0.883 -4.017 117 H ILE 16 HN ILE 16 47.183 5.495 1.368 118 HA ILE 16 HA ILE 16 47.198 2.959 2.215 119 HB ILE 16 HB ILE 16 48.866 2.113 0.754 120 HG12 ILE 16 HG12 ILE 16 50.709 2.871 3.039 121 HG13 ILE 16 HG11 ILE 16 49.277 1.890 3.400 122 HG21 ILE 16 HG21 ILE 16 49.735 4.198 -0.229 123 HG22 ILE 16 HG22 ILE 16 51.105 3.341 0.497 124 HG23 ILE 16 HG23 ILE 16 50.372 4.699 1.348 125 HD11 ILE 16 HD1 ILE 16 51.462 1.202 1.383 126 HD12 ILE 16 HD2 ILE 16 49.990 0.241 1.659 127 HD13 ILE 16 HD3 ILE 16 51.190 0.425 2.958 128 H GLY 17 HN GLY 17 49.053 5.704 2.157 129 HA2 GLY 17 HA1 GLY 17 49.473 5.707 5.062 130 HA3 GLY 17 HA2 GLY 17 49.820 7.044 3.946 131 H HIS 18 HN HIS 18 47.037 6.229 2.729 132 HA HIS 18 HA HIS 18 45.491 8.106 4.499 133 HB2 HIS 18 HB2 HIS 18 45.370 7.229 1.646 134 HB3 HIS 18 HB1 HIS 18 43.781 7.390 2.415 135 HD1 HIS 18 HD1 HIS 18 46.670 9.603 3.469 136 HD2 HIS 18 HD2 HIS 18 43.254 9.831 1.025 137 HE1 HIS 18 HE1 HIS 18 46.303 12.067 2.900 138 H ALA 19 HN ALA 19 45.370 4.715 3.213 139 HA ALA 19 HA ALA 19 43.982 3.859 5.635 140 HB1 ALA 19 HB1 ALA 19 42.162 5.109 4.370 141 HB2 ALA 19 HB2 ALA 19 41.799 3.419 4.789 142 HB3 ALA 19 HB3 ALA 19 42.283 3.841 3.127 143 H ALA 20 HN ALA 20 46.271 2.946 4.196 144 HA ALA 20 HA ALA 20 47.162 0.917 3.526 145 HB1 ALA 20 HB1 ALA 20 44.497 -0.447 3.947 146 HB2 ALA 20 HB2 ALA 20 45.462 0.113 5.332 147 HB3 ALA 20 HB3 ALA 20 46.139 -1.081 4.199 148 H VAL 21 HN VAL 21 44.346 2.282 2.073 149 HA VAL 21 HA VAL 21 45.155 1.115 -0.539 150 HB VAL 21 HB VAL 21 42.259 0.975 0.409 151 HG11 VAL 21 HG11 VAL 21 42.041 -0.425 -1.663 152 HG12 VAL 21 HG12 VAL 21 43.736 -0.047 -2.056 153 HG13 VAL 21 HG13 VAL 21 42.521 1.254 -2.009 154 HG21 VAL 21 HG21 VAL 21 44.412 -1.177 0.212 155 HG22 VAL 21 HG22 VAL 21 42.673 -1.530 0.344 156 HG23 VAL 21 HG23 VAL 21 43.510 -0.684 1.667 157 H ASN 22 HN ASN 22 43.186 3.328 1.399 158 HA ASN 22 HA ASN 22 43.686 5.722 0.251 159 HB2 ASN 22 HB2 ASN 22 43.218 5.233 -2.015 160 HB3 ASN 22 HB1 ASN 22 41.830 4.199 -1.608 161 HD21 ASN 22 HD21 ASN 22 40.156 5.290 -2.737 162 HD22 ASN 22 HD22 ASN 22 39.734 6.978 -2.432 163 H HIS 23 HN HIS 23 40.866 3.600 0.844 164 HA HIS 23 HA HIS 23 40.063 5.228 3.119 165 HB2 HIS 23 HB2 HIS 23 39.241 6.640 1.225 166 HB3 HIS 23 HB1 HIS 23 38.246 5.269 0.680 167 HD1 HIS 23 HD1 HIS 23 38.867 6.811 4.159 168 HD2 HIS 23 HD2 HIS 23 35.697 5.813 1.584 169 HE1 HIS 23 HE1 HIS 23 36.692 7.283 5.412 170 H TYR 24 HN TYR 24 40.613 2.805 3.528 171 HA TYR 24 HA TYR 24 38.603 0.855 2.788 172 HB2 TYR 24 HB2 TYR 24 40.915 0.243 3.442 173 HB3 TYR 24 HB1 TYR 24 40.595 0.829 5.093 174 HD1 TYR 24 HD1 TYR 24 39.089 -0.385 6.601 175 HD2 TYR 24 HD2 TYR 24 39.842 -1.800 2.593 176 HE1 TYR 24 HE1 TYR 24 38.077 -2.585 7.188 177 HE2 TYR 24 HE2 TYR 24 38.829 -4.000 3.180 178 HH TYR 24 HH TYR 24 37.653 -5.128 4.717 179 H LEU 25 HN LEU 25 38.649 3.440 5.018 180 HA LEU 25 HA LEU 25 36.992 2.263 7.084 181 HB2 LEU 25 HB2 LEU 25 37.689 5.098 6.252 182 HB3 LEU 25 HB1 LEU 25 36.486 4.794 7.526 183 HG LEU 25 HG LEU 25 38.132 3.528 8.830 184 HD11 LEU 25 HD11 LEU 25 39.488 2.469 7.173 185 HD12 LEU 25 HD12 LEU 25 40.574 3.618 7.988 186 HD13 LEU 25 HD13 LEU 25 39.889 4.018 6.393 187 HD21 LEU 25 HD21 LEU 25 39.304 6.162 7.826 188 HD22 LEU 25 HD22 LEU 25 39.652 5.380 9.387 189 HD23 LEU 25 HD23 LEU 25 38.024 6.017 9.053 Start of MODEL 25 1 H1 GLY 1 HT1 GLY 1 68.508 13.117 1.190 2 H2 GLY 1 HT2 GLY 1 67.392 11.878 1.523 3 H3 GLY 1 HT3 GLY 1 66.941 13.508 1.704 4 HA2 GLY 1 HA1 GLY 1 67.917 12.696 -0.891 5 HA3 GLY 1 HA2 GLY 1 66.331 12.075 -0.392 6 H TRP 2 HN TRP 2 66.343 13.637 -2.555 7 HA TRP 2 HA TRP 2 66.140 16.456 -2.046 8 HB2 TRP 2 HB2 TRP 2 66.408 15.386 -4.304 9 HB3 TRP 2 HB1 TRP 2 64.718 14.842 -4.198 10 HD1 TRP 2 HD1 TRP 2 62.969 16.474 -5.060 11 HE1 TRP 2 HE1 TRP 2 62.873 19.003 -5.655 12 HE3 TRP 2 HE3 TRP 2 67.643 17.851 -3.487 13 HZ2 TRP 2 HZ2 TRP 2 64.612 21.291 -5.461 14 HZ3 TRP 2 HZ3 TRP 2 68.403 20.211 -3.700 15 HH2 TRP 2 HH2 TRP 2 66.893 21.932 -4.684 16 H GLY 3 HN GLY 3 63.972 17.624 -2.604 17 HA2 GLY 3 HA1 GLY 3 62.136 16.929 -0.460 18 HA3 GLY 3 HA2 GLY 3 61.966 18.261 -1.620 19 H SER 4 HN SER 4 62.551 15.463 -3.338 20 HA SER 4 HA SER 4 61.189 14.140 -4.663 21 HB2 SER 4 HB2 SER 4 60.506 13.359 -2.316 22 HB3 SER 4 HB1 SER 4 59.073 14.393 -2.499 23 HG SER 4 HG SER 4 59.889 12.395 -4.360 24 H ILE 5 HN ILE 5 59.235 14.095 -6.001 25 HA ILE 5 HA ILE 5 58.479 16.839 -6.743 26 HB ILE 5 HB ILE 5 57.369 14.252 -7.908 27 HG12 ILE 5 HG12 ILE 5 59.961 15.731 -8.558 28 HG13 ILE 5 HG11 ILE 5 59.818 14.085 -7.898 29 HG21 ILE 5 HG21 ILE 5 56.924 15.589 -9.847 30 HG22 ILE 5 HG22 ILE 5 57.928 16.930 -9.247 31 HG23 ILE 5 HG23 ILE 5 56.373 16.561 -8.466 32 HD11 ILE 5 HD1 ILE 5 59.080 15.084 -10.670 33 HD12 ILE 5 HD2 ILE 5 58.403 13.567 -10.024 34 HD13 ILE 5 HD3 ILE 5 60.162 13.746 -10.223 35 H PHE 6 HN PHE 6 57.490 17.078 -4.481 36 HA PHE 6 HA PHE 6 55.587 17.297 -3.175 37 HB2 PHE 6 HB2 PHE 6 54.348 17.172 -5.949 38 HB3 PHE 6 HB1 PHE 6 53.422 17.564 -4.479 39 HD1 PHE 6 HD1 PHE 6 56.279 18.640 -6.639 40 HD2 PHE 6 HD2 PHE 6 53.599 19.726 -3.434 41 HE1 PHE 6 HE1 PHE 6 57.070 21.000 -6.777 42 HE2 PHE 6 HE2 PHE 6 54.389 22.085 -3.573 43 HZ PHE 6 HZ PHE 6 56.132 22.720 -5.237 44 H LYS 7 HN LYS 7 56.484 14.456 -4.342 45 HA LYS 7 HA LYS 7 54.046 12.891 -4.142 46 HB2 LYS 7 HB2 LYS 7 56.956 12.051 -3.840 47 HB3 LYS 7 HB1 LYS 7 55.573 10.950 -4.051 48 HG2 LYS 7 HG2 LYS 7 55.059 12.280 -6.211 49 HG3 LYS 7 HG1 LYS 7 56.689 12.973 -6.029 50 HD2 LYS 7 HD2 LYS 7 56.017 10.003 -6.235 51 HD3 LYS 7 HD1 LYS 7 56.748 11.001 -7.514 52 HE2 LYS 7 HE2 LYS 7 58.614 11.527 -5.793 53 HE3 LYS 7 HE1 LYS 7 57.954 10.164 -4.854 54 HZ1 LYS 7 HZ1 LYS 7 58.727 9.953 -7.716 55 HZ2 LYS 7 HZ2 LYS 7 58.355 8.690 -6.644 56 HZ3 LYS 7 HZ3 LYS 7 59.782 9.588 -6.439 57 H HIS 8 HN HIS 8 56.939 12.832 -2.013 58 HA HIS 8 HA HIS 8 55.347 11.791 0.208 59 HB2 HIS 8 HB2 HIS 8 57.716 11.166 -0.109 60 HB3 HIS 8 HB1 HIS 8 58.197 12.862 0.125 61 HD1 HIS 8 HD1 HIS 8 59.558 11.489 2.183 62 HD2 HIS 8 HD2 HIS 8 55.414 12.077 2.593 63 HE1 HIS 8 HE1 HIS 8 58.996 11.249 4.665 64 H GLY 9 HN GLY 9 53.830 13.775 -0.142 65 HA2 GLY 9 HA1 GLY 9 54.313 15.542 2.118 66 HA3 GLY 9 HA2 GLY 9 54.469 16.383 0.562 67 H ARG 10 HN ARG 10 52.452 14.516 -0.671 68 HA ARG 10 HA ARG 10 49.965 15.089 0.799 69 HB2 ARG 10 HB2 ARG 10 48.993 16.396 -1.135 70 HB3 ARG 10 HB1 ARG 10 50.241 17.262 -0.209 71 HG2 ARG 10 HG2 ARG 10 51.922 16.786 -1.886 72 HG3 ARG 10 HG1 ARG 10 50.819 15.693 -2.756 73 HD2 ARG 10 HD2 ARG 10 50.963 17.941 -3.835 74 HD3 ARG 10 HD1 ARG 10 49.317 17.567 -3.273 75 HE ARG 10 HE ARG 10 50.681 18.960 -1.187 76 HH11 ARG 10 HH11 ARG 10 48.531 19.290 -3.759 77 HH12 ARG 10 HH12 ARG 10 48.616 21.018 -3.831 78 HH21 ARG 10 HH21 ARG 10 51.204 21.252 -1.535 79 HH22 ARG 10 HH22 ARG 10 50.129 22.129 -2.572 80 H HIS 11 HN HIS 11 51.686 12.939 -0.635 81 HA HIS 11 HA HIS 11 49.370 11.462 -1.658 82 HB2 HIS 11 HB2 HIS 11 50.024 12.777 -3.675 83 HB3 HIS 11 HB1 HIS 11 51.668 12.107 -3.551 84 HD1 HIS 11 HD1 HIS 11 48.290 10.327 -3.126 85 HD2 HIS 11 HD2 HIS 11 51.732 10.183 -5.538 86 HE1 HIS 11 HE1 HIS 11 48.041 8.319 -4.688 87 H ALA 12 HN ALA 12 49.566 9.407 -1.756 88 HA ALA 12 HA ALA 12 50.326 7.294 -1.305 89 HB1 ALA 12 HB1 ALA 12 52.632 6.870 -1.323 90 HB2 ALA 12 HB2 ALA 12 52.916 8.546 -0.854 91 HB3 ALA 12 HB3 ALA 12 52.377 8.182 -2.494 92 H ALA 13 HN ALA 13 51.552 10.082 0.474 93 HA ALA 13 HA ALA 13 51.785 8.628 3.006 94 HB1 ALA 13 HB1 ALA 13 50.895 11.523 2.480 95 HB2 ALA 13 HB2 ALA 13 52.606 11.060 2.647 96 HB3 ALA 13 HB3 ALA 13 51.490 10.851 4.016 97 H LYS 14 HN LYS 14 50.149 8.898 0.287 98 HA LYS 14 HA LYS 14 47.310 8.598 1.558 99 HB2 LYS 14 HB2 LYS 14 47.979 10.422 -0.193 100 HB3 LYS 14 HB1 LYS 14 48.174 9.033 -1.322 101 HG2 LYS 14 HG2 LYS 14 45.870 8.784 -1.556 102 HG3 LYS 14 HG1 LYS 14 45.536 9.128 0.157 103 HD2 LYS 14 HD2 LYS 14 45.841 11.549 -0.268 104 HD3 LYS 14 HD1 LYS 14 46.200 11.206 -1.979 105 HE2 LYS 14 HE2 LYS 14 43.955 10.176 -2.239 106 HE3 LYS 14 HE1 LYS 14 43.594 10.548 -0.536 107 HZ1 LYS 14 HZ1 LYS 14 43.588 12.817 -0.956 108 HZ2 LYS 14 HZ2 LYS 14 42.821 12.182 -2.333 109 HZ3 LYS 14 HZ3 LYS 14 44.446 12.672 -2.412 110 H HIS 15 HN HIS 15 46.022 7.472 -0.439 111 HA HIS 15 HA HIS 15 45.420 5.286 -1.030 112 HB2 HIS 15 HB2 HIS 15 46.504 6.371 -3.006 113 HB3 HIS 15 HB1 HIS 15 48.038 5.598 -2.542 114 HD1 HIS 15 HD1 HIS 15 48.383 3.711 -4.148 115 HD2 HIS 15 HD2 HIS 15 44.436 3.873 -2.704 116 HE1 HIS 15 HE1 HIS 15 47.146 1.682 -5.085 117 H ILE 16 HN ILE 16 47.405 5.526 1.300 118 HA ILE 16 HA ILE 16 47.584 2.933 1.971 119 HB ILE 16 HB ILE 16 49.093 2.299 0.245 120 HG12 ILE 16 HG12 ILE 16 51.193 1.735 1.394 121 HG13 ILE 16 HG11 ILE 16 50.814 2.880 2.696 122 HG21 ILE 16 HG21 ILE 16 49.807 4.471 -0.613 123 HG22 ILE 16 HG22 ILE 16 51.271 3.608 -0.092 124 HG23 ILE 16 HG23 ILE 16 50.576 4.864 0.937 125 HD11 ILE 16 HD1 ILE 16 48.909 1.578 3.396 126 HD12 ILE 16 HD2 ILE 16 50.241 0.425 3.159 127 HD13 ILE 16 HD3 ILE 16 48.969 0.581 1.924 128 H GLY 17 HN GLY 17 49.297 5.770 1.917 129 HA2 GLY 17 HA1 GLY 17 50.029 5.606 4.754 130 HA3 GLY 17 HA2 GLY 17 50.177 7.035 3.712 131 H HIS 18 HN HIS 18 47.340 6.150 2.727 132 HA HIS 18 HA HIS 18 45.873 7.766 4.805 133 HB2 HIS 18 HB2 HIS 18 45.511 7.139 1.901 134 HB3 HIS 18 HB1 HIS 18 44.006 7.178 2.837 135 HD1 HIS 18 HD1 HIS 18 46.931 9.395 3.775 136 HD2 HIS 18 HD2 HIS 18 43.182 9.708 1.903 137 HE1 HIS 18 HE1 HIS 18 46.444 11.883 3.458 138 H ALA 19 HN ALA 19 45.659 4.581 3.081 139 HA ALA 19 HA ALA 19 44.959 3.063 5.342 140 HB1 ALA 19 HB1 ALA 19 42.591 4.502 4.125 141 HB2 ALA 19 HB2 ALA 19 42.947 4.169 5.838 142 HB3 ALA 19 HB3 ALA 19 42.371 2.863 4.784 143 H ALA 20 HN ALA 20 45.824 3.361 2.294 144 HA ALA 20 HA ALA 20 46.003 1.890 0.504 145 HB1 ALA 20 HB1 ALA 20 46.117 -0.437 0.973 146 HB2 ALA 20 HB2 ALA 20 45.017 -0.296 2.365 147 HB3 ALA 20 HB3 ALA 20 46.666 0.363 2.462 148 H VAL 21 HN VAL 21 43.319 2.969 1.766 149 HA VAL 21 HA VAL 21 41.585 1.828 -0.375 150 HB VAL 21 HB VAL 21 40.819 1.943 2.581 151 HG11 VAL 21 HG11 VAL 21 38.841 2.509 1.400 152 HG12 VAL 21 HG12 VAL 21 38.703 0.748 1.581 153 HG13 VAL 21 HG13 VAL 21 39.235 1.442 0.031 154 HG21 VAL 21 HG21 VAL 21 40.529 -0.546 2.275 155 HG22 VAL 21 HG22 VAL 21 42.212 -0.007 2.087 156 HG23 VAL 21 HG23 VAL 21 41.235 -0.387 0.649 157 H ASN 22 HN ASN 22 42.879 4.272 1.472 158 HA ASN 22 HA ASN 22 42.686 6.590 0.966 159 HB2 ASN 22 HB2 ASN 22 39.735 6.213 0.352 160 HB3 ASN 22 HB1 ASN 22 40.758 7.625 0.020 161 HD21 ASN 22 HD21 ASN 22 39.195 5.747 -1.873 162 HD22 ASN 22 HD22 ASN 22 40.417 5.243 -3.046 163 H HIS 23 HN HIS 23 40.206 4.710 2.608 164 HA HIS 23 HA HIS 23 40.664 5.995 5.125 165 HB2 HIS 23 HB2 HIS 23 38.370 7.118 5.298 166 HB3 HIS 23 HB1 HIS 23 39.573 7.955 4.290 167 HD1 HIS 23 HD1 HIS 23 38.726 5.142 2.314 168 HD2 HIS 23 HD2 HIS 23 36.663 8.676 3.286 169 HE1 HIS 23 HE1 HIS 23 36.943 5.499 0.521 170 H TYR 24 HN TYR 24 40.719 3.764 5.658 171 HA TYR 24 HA TYR 24 38.483 2.010 5.171 172 HB2 TYR 24 HB2 TYR 24 40.755 1.191 5.684 173 HB3 TYR 24 HB1 TYR 24 40.636 1.880 7.321 174 HD1 TYR 24 HD1 TYR 24 38.778 -0.412 4.970 175 HD2 TYR 24 HD2 TYR 24 39.784 0.519 9.065 176 HE1 TYR 24 HE1 TYR 24 37.603 -2.474 5.729 177 HE2 TYR 24 HE2 TYR 24 38.609 -1.543 9.822 178 HH TYR 24 HH TYR 24 36.459 -3.048 8.432 179 H LEU 25 HN LEU 25 39.087 4.530 7.475 180 HA LEU 25 HA LEU 25 37.306 3.558 9.548 181 HB2 LEU 25 HB2 LEU 25 37.977 6.469 8.996 182 HB3 LEU 25 HB1 LEU 25 37.593 5.696 10.552 183 HG LEU 25 HG LEU 25 40.080 5.209 8.854 184 HD11 LEU 25 HD11 LEU 25 41.265 6.289 10.696 185 HD12 LEU 25 HD12 LEU 25 39.755 6.434 11.628 186 HD13 LEU 25 HD13 LEU 25 39.972 7.375 10.131 187 HD21 LEU 25 HD21 LEU 25 40.759 3.900 10.992 188 HD22 LEU 25 HD22 LEU 25 39.589 3.121 9.904 189 HD23 LEU 25 HD23 LEU 25 39.025 3.907 11.399 Start of MODEL 26 1 H1 GLY 1 HT1 GLY 1 66.785 13.337 -4.334 2 H2 GLY 1 HT2 GLY 1 66.665 14.613 -3.218 3 H3 GLY 1 HT3 GLY 1 68.191 14.031 -3.690 4 HA2 GLY 1 HA1 GLY 1 68.284 15.375 -5.373 5 HA3 GLY 1 HA2 GLY 1 66.727 14.757 -5.956 6 H TRP 2 HN TRP 2 65.604 16.527 -6.499 7 HA TRP 2 HA TRP 2 65.796 19.034 -5.105 8 HB2 TRP 2 HB2 TRP 2 63.649 17.913 -6.947 9 HB3 TRP 2 HB1 TRP 2 63.714 19.602 -6.387 10 HD1 TRP 2 HD1 TRP 2 66.259 20.789 -6.878 11 HE1 TRP 2 HE1 TRP 2 67.635 20.726 -9.083 12 HE3 TRP 2 HE3 TRP 2 64.126 16.669 -9.042 13 HZ2 TRP 2 HZ2 TRP 2 67.767 19.091 -11.450 14 HZ3 TRP 2 HZ3 TRP 2 64.892 15.877 -11.275 15 HH2 TRP 2 HH2 TRP 2 66.709 17.082 -12.479 16 H GLY 3 HN GLY 3 62.655 17.436 -5.482 17 HA2 GLY 3 HA1 GLY 3 62.146 16.632 -2.858 18 HA3 GLY 3 HA2 GLY 3 61.800 18.372 -2.882 19 H SER 4 HN SER 4 61.298 17.228 -5.962 20 HA SER 4 HA SER 4 59.356 16.881 -7.182 21 HB2 SER 4 HB2 SER 4 59.471 14.719 -5.871 22 HB3 SER 4 HB1 SER 4 58.345 15.444 -4.700 23 HG SER 4 HG SER 4 56.963 15.837 -6.584 24 H ILE 5 HN ILE 5 56.989 17.321 -7.312 25 HA ILE 5 HA ILE 5 56.450 19.879 -6.029 26 HB ILE 5 HB ILE 5 55.698 19.478 -8.315 27 HG12 ILE 5 HG12 ILE 5 53.276 19.640 -6.459 28 HG13 ILE 5 HG11 ILE 5 54.385 20.990 -6.790 29 HG21 ILE 5 HG21 ILE 5 55.223 16.918 -7.733 30 HG22 ILE 5 HG22 ILE 5 54.306 17.736 -9.015 31 HG23 ILE 5 HG23 ILE 5 53.576 17.509 -7.413 32 HD11 ILE 5 HD1 ILE 5 53.893 20.711 -9.246 33 HD12 ILE 5 HD2 ILE 5 52.472 21.181 -8.284 34 HD13 ILE 5 HD3 ILE 5 52.669 19.493 -8.815 35 H PHE 6 HN PHE 6 56.533 19.330 -3.804 36 HA PHE 6 HA PHE 6 55.653 18.582 -1.782 37 HB2 PHE 6 HB2 PHE 6 53.111 19.328 -3.275 38 HB3 PHE 6 HB1 PHE 6 53.219 19.065 -1.517 39 HD1 PHE 6 HD1 PHE 6 54.399 20.645 -0.067 40 HD2 PHE 6 HD2 PHE 6 54.220 21.258 -4.337 41 HE1 PHE 6 HE1 PHE 6 55.208 22.983 0.233 42 HE2 PHE 6 HE2 PHE 6 55.028 23.595 -4.035 43 HZ PHE 6 HZ PHE 6 55.622 24.420 -1.759 44 H LYS 7 HN LYS 7 55.736 16.596 -4.201 45 HA LYS 7 HA LYS 7 53.571 14.743 -3.746 46 HB2 LYS 7 HB2 LYS 7 55.060 14.815 -5.789 47 HB3 LYS 7 HB1 LYS 7 56.354 14.108 -4.790 48 HG2 LYS 7 HG2 LYS 7 54.950 12.150 -4.300 49 HG3 LYS 7 HG1 LYS 7 53.600 12.868 -5.205 50 HD2 LYS 7 HD2 LYS 7 54.670 11.281 -6.680 51 HD3 LYS 7 HD1 LYS 7 55.095 12.907 -7.256 52 HE2 LYS 7 HE2 LYS 7 57.316 12.745 -6.449 53 HE3 LYS 7 HE1 LYS 7 56.918 11.426 -5.323 54 HZ1 LYS 7 HZ1 LYS 7 57.033 9.889 -6.950 55 HZ2 LYS 7 HZ2 LYS 7 58.060 11.029 -7.677 56 HZ3 LYS 7 HZ3 LYS 7 56.433 10.921 -8.155 57 H HIS 8 HN HIS 8 56.898 15.023 -2.491 58 HA HIS 8 HA HIS 8 56.649 12.596 -0.865 59 HB2 HIS 8 HB2 HIS 8 58.819 13.462 -1.793 60 HB3 HIS 8 HB1 HIS 8 58.693 14.844 -0.677 61 HD1 HIS 8 HD1 HIS 8 57.464 11.479 0.464 62 HD2 HIS 8 HD2 HIS 8 60.961 13.793 0.787 63 HE1 HIS 8 HE1 HIS 8 58.898 10.440 2.306 64 H GLY 9 HN GLY 9 54.442 13.898 -0.195 65 HA2 GLY 9 HA1 GLY 9 54.539 14.158 2.582 66 HA3 GLY 9 HA2 GLY 9 54.802 15.799 1.960 67 H ARG 10 HN ARG 10 53.015 14.211 -0.334 68 HA ARG 10 HA ARG 10 50.374 14.686 0.981 69 HB2 ARG 10 HB2 ARG 10 51.154 16.007 -1.650 70 HB3 ARG 10 HB1 ARG 10 49.598 16.148 -0.795 71 HG2 ARG 10 HG2 ARG 10 50.918 17.079 1.195 72 HG3 ARG 10 HG1 ARG 10 52.319 17.184 0.101 73 HD2 ARG 10 HD2 ARG 10 49.669 18.654 -0.075 74 HD3 ARG 10 HD1 ARG 10 51.314 19.333 -0.027 75 HE ARG 10 HE ARG 10 51.184 17.737 -2.349 76 HH11 ARG 10 HH11 ARG 10 48.851 18.305 -3.455 77 HH12 ARG 10 HH12 ARG 10 48.817 19.979 -3.898 78 HH21 ARG 10 HH21 ARG 10 51.481 20.848 -1.855 79 HH22 ARG 10 HH22 ARG 10 50.306 21.419 -2.992 80 H HIS 11 HN HIS 11 52.014 12.395 -0.064 81 HA HIS 11 HA HIS 11 49.814 11.065 -1.434 82 HB2 HIS 11 HB2 HIS 11 50.893 12.277 -3.352 83 HB3 HIS 11 HB1 HIS 11 52.414 11.433 -2.976 84 HD1 HIS 11 HD1 HIS 11 52.474 8.814 -3.306 85 HD2 HIS 11 HD2 HIS 11 49.016 10.724 -4.745 86 HE1 HIS 11 HE1 HIS 11 51.233 7.134 -4.779 87 H ALA 12 HN ALA 12 49.861 9.002 -1.405 88 HA ALA 12 HA ALA 12 50.398 6.862 -0.767 89 HB1 ALA 12 HB1 ALA 12 52.976 7.958 0.027 90 HB2 ALA 12 HB2 ALA 12 52.662 7.559 -1.665 91 HB3 ALA 12 HB3 ALA 12 52.643 6.293 -0.412 92 H ALA 13 HN ALA 13 51.521 9.667 1.042 93 HA ALA 13 HA ALA 13 51.261 8.351 3.647 94 HB1 ALA 13 HB1 ALA 13 52.310 10.668 3.406 95 HB2 ALA 13 HB2 ALA 13 50.874 10.678 4.458 96 HB3 ALA 13 HB3 ALA 13 50.753 11.261 2.780 97 H LYS 14 HN LYS 14 50.091 8.545 0.696 98 HA LYS 14 HA LYS 14 47.072 8.489 1.517 99 HB2 LYS 14 HB2 LYS 14 48.124 10.180 -0.185 100 HB3 LYS 14 HB1 LYS 14 48.400 8.725 -1.209 101 HG2 LYS 14 HG2 LYS 14 46.154 8.610 -1.803 102 HG3 LYS 14 HG1 LYS 14 45.577 9.033 -0.176 103 HD2 LYS 14 HD2 LYS 14 46.129 11.420 -0.619 104 HD3 LYS 14 HD1 LYS 14 46.666 10.979 -2.259 105 HE2 LYS 14 HE2 LYS 14 43.863 10.610 -1.113 106 HE3 LYS 14 HE1 LYS 14 44.352 11.796 -2.345 107 HZ1 LYS 14 HZ1 LYS 14 43.896 8.934 -2.594 108 HZ2 LYS 14 HZ2 LYS 14 45.242 9.534 -3.439 109 HZ3 LYS 14 HZ3 LYS 14 43.695 10.172 -3.736 110 H HIS 15 HN HIS 15 46.045 7.329 -0.618 111 HA HIS 15 HA HIS 15 45.412 5.150 -1.196 112 HB2 HIS 15 HB2 HIS 15 46.908 6.087 -3.000 113 HB3 HIS 15 HB1 HIS 15 48.255 5.179 -2.271 114 HD1 HIS 15 HD1 HIS 15 48.409 2.683 -2.725 115 HD2 HIS 15 HD2 HIS 15 44.758 4.346 -3.985 116 HE1 HIS 15 HE1 HIS 15 47.190 0.900 -4.090 117 H ILE 16 HN ILE 16 47.015 5.411 1.415 118 HA ILE 16 HA ILE 16 46.909 2.851 2.226 119 HB ILE 16 HB ILE 16 48.637 2.031 0.811 120 HG12 ILE 16 HG12 ILE 16 50.223 2.670 3.325 121 HG13 ILE 16 HG11 ILE 16 48.825 1.578 3.397 122 HG21 ILE 16 HG21 ILE 16 50.125 4.559 1.624 123 HG22 ILE 16 HG22 ILE 16 49.611 4.124 -0.015 124 HG23 ILE 16 HG23 ILE 16 50.919 3.228 0.781 125 HD11 ILE 16 HD1 ILE 16 50.719 0.163 3.080 126 HD12 ILE 16 HD2 ILE 16 51.407 1.211 1.824 127 HD13 ILE 16 HD3 ILE 16 49.947 0.252 1.485 128 H GLY 17 HN GLY 17 48.677 5.651 2.317 129 HA2 GLY 17 HA1 GLY 17 48.958 5.562 5.254 130 HA3 GLY 17 HA2 GLY 17 49.386 6.919 4.192 131 H HIS 18 HN HIS 18 46.690 6.113 2.770 132 HA HIS 18 HA HIS 18 45.001 7.930 4.488 133 HB2 HIS 18 HB2 HIS 18 45.121 7.191 1.587 134 HB3 HIS 18 HB1 HIS 18 43.483 7.389 2.238 135 HD1 HIS 18 HD1 HIS 18 43.199 9.575 0.793 136 HD2 HIS 18 HD2 HIS 18 46.252 9.767 3.680 137 HE1 HIS 18 HE1 HIS 18 43.840 12.033 1.062 138 H ALA 19 HN ALA 19 44.935 4.664 2.911 139 HA ALA 19 HA ALA 19 43.717 3.320 5.047 140 HB1 ALA 19 HB1 ALA 19 41.715 4.520 5.142 141 HB2 ALA 19 HB2 ALA 19 41.260 3.252 3.985 142 HB3 ALA 19 HB3 ALA 19 41.724 4.867 3.397 143 H ALA 20 HN ALA 20 45.158 3.369 2.227 144 HA ALA 20 HA ALA 20 45.593 1.764 0.607 145 HB1 ALA 20 HB1 ALA 20 45.630 0.315 2.738 146 HB2 ALA 20 HB2 ALA 20 45.390 -0.522 1.185 147 HB3 ALA 20 HB3 ALA 20 44.002 -0.220 2.257 148 H VAL 21 HN VAL 21 42.751 3.102 1.214 149 HA VAL 21 HA VAL 21 41.546 2.057 -1.295 150 HB VAL 21 HB VAL 21 39.926 2.219 1.287 151 HG11 VAL 21 HG11 VAL 21 39.340 1.292 -1.559 152 HG12 VAL 21 HG12 VAL 21 38.532 2.584 -0.644 153 HG13 VAL 21 HG13 VAL 21 38.292 0.887 -0.182 154 HG21 VAL 21 HG21 VAL 21 41.141 -0.177 -0.161 155 HG22 VAL 21 HG22 VAL 21 39.860 -0.316 1.067 156 HG23 VAL 21 HG23 VAL 21 41.448 0.342 1.513 157 H ASN 22 HN ASN 22 42.346 4.437 0.941 158 HA ASN 22 HA ASN 22 42.361 6.762 0.259 159 HB2 ASN 22 HB2 ASN 22 40.901 6.363 -1.769 160 HB3 ASN 22 HB1 ASN 22 39.488 6.426 -0.683 161 HD21 ASN 22 HD21 ASN 22 39.511 8.371 -2.612 162 HD22 ASN 22 HD22 ASN 22 39.980 9.926 -1.917 163 H HIS 23 HN HIS 23 39.504 5.090 1.607 164 HA HIS 23 HA HIS 23 39.831 6.365 4.166 165 HB2 HIS 23 HB2 HIS 23 38.955 8.337 2.861 166 HB3 HIS 23 HB1 HIS 23 37.477 7.402 2.539 167 HD1 HIS 23 HD1 HIS 23 35.939 6.797 4.596 168 HD2 HIS 23 HD2 HIS 23 39.110 9.427 5.444 169 HE1 HIS 23 HE1 HIS 23 35.494 7.809 6.899 170 H TYR 24 HN TYR 24 38.049 4.491 1.842 171 HA TYR 24 HA TYR 24 36.006 3.579 3.720 172 HB2 TYR 24 HB2 TYR 24 36.931 2.361 1.090 173 HB3 TYR 24 HB1 TYR 24 35.427 1.979 1.959 174 HD1 TYR 24 HD1 TYR 24 33.553 3.542 1.998 175 HD2 TYR 24 HD2 TYR 24 37.241 4.559 0.001 176 HE1 TYR 24 HE1 TYR 24 32.421 5.466 0.888 177 HE2 TYR 24 HE2 TYR 24 36.110 6.483 -1.108 178 HH TYR 24 HH TYR 24 32.652 7.023 -0.839 179 H LEU 25 HN LEU 25 38.600 3.379 4.847 180 HA LEU 25 HA LEU 25 39.981 0.998 4.688 181 HB2 LEU 25 HB2 LEU 25 40.635 2.710 6.257 182 HB3 LEU 25 HB1 LEU 25 39.112 2.549 7.158 183 HG LEU 25 HG LEU 25 39.734 0.344 7.961 184 HD11 LEU 25 HD11 LEU 25 42.095 -0.528 7.319 185 HD12 LEU 25 HD12 LEU 25 42.009 0.616 5.957 186 HD13 LEU 25 HD13 LEU 25 40.810 -0.692 6.102 187 HD21 LEU 25 HD21 LEU 25 40.729 2.389 9.067 188 HD22 LEU 25 HD22 LEU 25 42.206 2.120 8.111 189 HD23 LEU 25 HD23 LEU 25 41.680 0.903 9.299 Start of MODEL 27 1 H1 GLY 1 HT1 GLY 1 62.680 15.933 7.411 2 H2 GLY 1 HT2 GLY 1 61.105 15.400 7.760 3 H3 GLY 1 HT3 GLY 1 61.416 17.055 7.532 4 HA2 GLY 1 HA1 GLY 1 61.825 15.004 5.465 5 HA3 GLY 1 HA2 GLY 1 60.324 15.932 5.653 6 H TRP 2 HN TRP 2 62.049 15.890 3.350 7 HA TRP 2 HA TRP 2 63.666 18.313 3.360 8 HB2 TRP 2 HB2 TRP 2 62.543 16.705 1.030 9 HB3 TRP 2 HB1 TRP 2 63.833 17.928 0.937 10 HD1 TRP 2 HD1 TRP 2 66.091 17.367 2.423 11 HE1 TRP 2 HE1 TRP 2 67.264 15.090 2.875 12 HE3 TRP 2 HE3 TRP 2 62.207 14.224 1.308 13 HZ2 TRP 2 HZ2 TRP 2 66.577 12.297 2.759 14 HZ3 TRP 2 HZ3 TRP 2 62.489 11.756 1.485 15 HH2 TRP 2 HH2 TRP 2 64.668 10.791 2.209 16 H GLY 3 HN GLY 3 63.082 19.691 1.128 17 HA2 GLY 3 HA1 GLY 3 60.460 20.970 1.827 18 HA3 GLY 3 HA2 GLY 3 61.826 21.749 1.005 19 H SER 4 HN SER 4 60.868 18.513 0.128 20 HA SER 4 HA SER 4 60.707 18.865 -2.596 21 HB2 SER 4 HB2 SER 4 58.730 17.158 -1.048 22 HB3 SER 4 HB1 SER 4 59.324 16.897 -2.703 23 HG SER 4 HG SER 4 60.378 16.062 -0.411 24 H ILE 5 HN ILE 5 58.929 18.999 -4.126 25 HA ILE 5 HA ILE 5 57.187 21.265 -3.477 26 HB ILE 5 HB ILE 5 56.331 20.853 -5.850 27 HG12 ILE 5 HG12 ILE 5 58.640 18.852 -5.928 28 HG13 ILE 5 HG11 ILE 5 56.942 18.364 -5.753 29 HG21 ILE 5 HG21 ILE 5 58.361 21.726 -6.882 30 HG22 ILE 5 HG22 ILE 5 59.362 21.074 -5.564 31 HG23 ILE 5 HG23 ILE 5 58.229 22.409 -5.246 32 HD11 ILE 5 HD1 ILE 5 57.354 18.210 -8.085 33 HD12 ILE 5 HD2 ILE 5 58.281 19.727 -8.113 34 HD13 ILE 5 HD3 ILE 5 56.514 19.766 -7.904 35 H PHE 6 HN PHE 6 56.413 19.552 -1.642 36 HA PHE 6 HA PHE 6 54.597 18.367 -0.820 37 HB2 PHE 6 HB2 PHE 6 53.136 19.545 -3.216 38 HB3 PHE 6 HB1 PHE 6 52.406 18.936 -1.713 39 HD1 PHE 6 HD1 PHE 6 53.937 21.793 -3.351 40 HD2 PHE 6 HD2 PHE 6 53.037 20.065 0.501 41 HE1 PHE 6 HE1 PHE 6 54.240 24.022 -2.279 42 HE2 PHE 6 HE2 PHE 6 53.340 22.294 1.572 43 HZ PHE 6 HZ PHE 6 53.872 24.285 0.171 44 H LYS 7 HN LYS 7 56.219 16.672 -1.974 45 HA LYS 7 HA LYS 7 54.459 14.915 -3.690 46 HB2 LYS 7 HB2 LYS 7 56.525 15.928 -4.820 47 HB3 LYS 7 HB1 LYS 7 57.500 14.969 -3.688 48 HG2 LYS 7 HG2 LYS 7 57.375 13.497 -5.513 49 HG3 LYS 7 HG1 LYS 7 55.995 12.942 -4.541 50 HD2 LYS 7 HD2 LYS 7 54.442 14.237 -5.928 51 HD3 LYS 7 HD1 LYS 7 55.797 14.957 -6.831 52 HE2 LYS 7 HE2 LYS 7 55.268 11.960 -6.695 53 HE3 LYS 7 HE1 LYS 7 54.666 13.009 -8.000 54 HZ1 LYS 7 HZ1 LYS 7 56.640 12.419 -8.903 55 HZ2 LYS 7 HZ2 LYS 7 57.394 12.144 -7.405 56 HZ3 LYS 7 HZ3 LYS 7 57.205 13.730 -7.986 57 H HIS 8 HN HIS 8 57.166 15.001 -1.338 58 HA HIS 8 HA HIS 8 56.776 12.170 -0.647 59 HB2 HIS 8 HB2 HIS 8 59.008 13.277 -0.589 60 HB3 HIS 8 HB1 HIS 8 58.432 14.321 0.732 61 HD1 HIS 8 HD1 HIS 8 57.415 10.680 0.482 62 HD2 HIS 8 HD2 HIS 8 60.050 13.086 2.709 63 HE1 HIS 8 HE1 HIS 8 58.307 9.254 2.405 64 H GLY 9 HN GLY 9 54.369 13.606 -0.344 65 HA2 GLY 9 HA1 GLY 9 53.647 12.838 2.309 66 HA3 GLY 9 HA2 GLY 9 53.913 14.591 2.279 67 H ARG 10 HN ARG 10 53.052 14.268 -0.738 68 HA ARG 10 HA ARG 10 50.154 14.714 -0.140 69 HB2 ARG 10 HB2 ARG 10 51.655 16.342 -1.506 70 HB3 ARG 10 HB1 ARG 10 51.543 15.141 -2.812 71 HG2 ARG 10 HG2 ARG 10 49.084 15.301 -2.783 72 HG3 ARG 10 HG1 ARG 10 49.153 16.434 -1.415 73 HD2 ARG 10 HD2 ARG 10 50.602 17.937 -2.913 74 HD3 ARG 10 HD1 ARG 10 50.131 16.874 -4.262 75 HE ARG 10 HE ARG 10 48.028 17.937 -4.239 76 HH11 ARG 10 HH11 ARG 10 49.792 18.549 -1.349 77 HH12 ARG 10 HH12 ARG 10 48.519 19.454 -0.601 78 HH21 ARG 10 HH21 ARG 10 46.293 18.996 -3.221 79 HH22 ARG 10 HH22 ARG 10 46.538 19.708 -1.660 80 H HIS 11 HN HIS 11 52.185 12.246 -0.968 81 HA HIS 11 HA HIS 11 49.924 10.622 -1.953 82 HB2 HIS 11 HB2 HIS 11 51.022 11.620 -4.030 83 HB3 HIS 11 HB1 HIS 11 52.499 10.738 -3.572 84 HD1 HIS 11 HD1 HIS 11 48.878 10.175 -4.617 85 HD2 HIS 11 HD2 HIS 11 52.382 7.940 -3.993 86 HE1 HIS 11 HE1 HIS 11 48.468 7.838 -5.565 87 H ALA 12 HN ALA 12 50.050 8.595 -1.636 88 HA ALA 12 HA ALA 12 50.654 6.600 -0.703 89 HB1 ALA 12 HB1 ALA 12 52.902 7.223 -1.706 90 HB2 ALA 12 HB2 ALA 12 52.911 6.140 -0.290 91 HB3 ALA 12 HB3 ALA 12 53.204 7.870 -0.102 92 H ALA 13 HN ALA 13 51.713 9.666 0.689 93 HA ALA 13 HA ALA 13 51.512 8.709 3.454 94 HB1 ALA 13 HB1 ALA 13 51.287 11.408 2.030 95 HB2 ALA 13 HB2 ALA 13 52.429 10.938 3.313 96 HB3 ALA 13 HB3 ALA 13 50.716 11.224 3.705 97 H LYS 14 HN LYS 14 50.312 8.458 0.523 98 HA LYS 14 HA LYS 14 47.305 8.424 1.380 99 HB2 LYS 14 HB2 LYS 14 48.292 9.911 -0.536 100 HB3 LYS 14 HB1 LYS 14 48.608 8.340 -1.364 101 HG2 LYS 14 HG2 LYS 14 46.361 8.081 -1.917 102 HG3 LYS 14 HG1 LYS 14 45.781 8.695 -0.352 103 HD2 LYS 14 HD2 LYS 14 46.130 11.003 -1.079 104 HD3 LYS 14 HD1 LYS 14 46.873 10.446 -2.599 105 HE2 LYS 14 HE2 LYS 14 44.796 9.477 -3.355 106 HE3 LYS 14 HE1 LYS 14 44.037 9.716 -1.763 107 HZ1 LYS 14 HZ1 LYS 14 43.509 11.407 -3.559 108 HZ2 LYS 14 HZ2 LYS 14 45.095 11.981 -3.362 109 HZ3 LYS 14 HZ3 LYS 14 44.005 12.025 -2.060 110 H HIS 15 HN HIS 15 46.300 6.961 -0.584 111 HA HIS 15 HA HIS 15 45.732 4.700 -0.849 112 HB2 HIS 15 HB2 HIS 15 48.509 4.990 -2.052 113 HB3 HIS 15 HB1 HIS 15 47.444 3.594 -2.347 114 HD1 HIS 15 HD1 HIS 15 44.987 6.003 -2.053 115 HD2 HIS 15 HD2 HIS 15 47.930 5.364 -4.991 116 HE1 HIS 15 HE1 HIS 15 44.206 7.179 -4.184 117 H ILE 16 HN ILE 16 47.290 5.353 1.682 118 HA ILE 16 HA ILE 16 47.308 2.940 2.835 119 HB ILE 16 HB ILE 16 49.051 1.979 1.531 120 HG12 ILE 16 HG12 ILE 16 50.554 3.030 3.958 121 HG13 ILE 16 HG11 ILE 16 49.256 1.827 4.111 122 HG21 ILE 16 HG21 ILE 16 50.485 4.630 1.976 123 HG22 ILE 16 HG22 ILE 16 49.971 3.963 0.417 124 HG23 ILE 16 HG23 ILE 16 51.300 3.210 1.318 125 HD11 ILE 16 HD1 ILE 16 50.628 0.491 2.285 126 HD12 ILE 16 HD2 ILE 16 51.183 0.479 3.972 127 HD13 ILE 16 HD3 ILE 16 51.972 1.541 2.789 128 H GLY 17 HN GLY 17 49.035 5.749 2.527 129 HA2 GLY 17 HA1 GLY 17 49.350 6.079 5.435 130 HA3 GLY 17 HA2 GLY 17 49.713 7.293 4.192 131 H HIS 18 HN HIS 18 47.015 6.238 2.961 132 HA HIS 18 HA HIS 18 45.314 8.223 4.477 133 HB2 HIS 18 HB2 HIS 18 45.372 7.117 1.688 134 HB3 HIS 18 HB1 HIS 18 43.752 7.394 2.360 135 HD1 HIS 18 HD1 HIS 18 46.611 9.613 3.433 136 HD2 HIS 18 HD2 HIS 18 43.429 9.704 0.683 137 HE1 HIS 18 HE1 HIS 18 46.380 12.022 2.615 138 H ALA 19 HN ALA 19 45.326 4.790 3.334 139 HA ALA 19 HA ALA 19 44.209 3.659 5.625 140 HB1 ALA 19 HB1 ALA 19 42.174 4.808 5.676 141 HB2 ALA 19 HB2 ALA 19 41.715 3.414 4.678 142 HB3 ALA 19 HB3 ALA 19 42.104 4.971 3.906 143 H ALA 20 HN ALA 20 45.530 3.472 2.752 144 HA ALA 20 HA ALA 20 45.948 1.738 1.270 145 HB1 ALA 20 HB1 ALA 20 45.878 -0.489 2.084 146 HB2 ALA 20 HB2 ALA 20 44.559 -0.123 3.219 147 HB3 ALA 20 HB3 ALA 20 46.193 0.518 3.516 148 H VAL 21 HN VAL 21 43.097 3.017 1.885 149 HA VAL 21 HA VAL 21 41.771 1.612 -0.384 150 HB VAL 21 HB VAL 21 40.377 2.106 2.290 151 HG11 VAL 21 HG11 VAL 21 38.609 0.617 1.095 152 HG12 VAL 21 HG12 VAL 21 39.492 0.993 -0.402 153 HG13 VAL 21 HG13 VAL 21 38.756 2.301 0.553 154 HG21 VAL 21 HG21 VAL 21 40.270 -0.425 2.369 155 HG22 VAL 21 HG22 VAL 21 41.914 0.229 2.528 156 HG23 VAL 21 HG23 VAL 21 41.379 -0.462 0.978 157 H ASN 22 HN ASN 22 42.675 4.304 1.403 158 HA ASN 22 HA ASN 22 42.573 6.528 0.503 159 HB2 ASN 22 HB2 ASN 22 41.122 5.734 -1.468 160 HB3 ASN 22 HB1 ASN 22 39.716 6.025 -0.408 161 HD21 ASN 22 HD21 ASN 22 40.658 7.494 -2.935 162 HD22 ASN 22 HD22 ASN 22 40.781 9.179 -2.420 163 H HIS 23 HN HIS 23 39.922 4.814 2.064 164 HA HIS 23 HA HIS 23 40.030 6.532 4.383 165 HB2 HIS 23 HB2 HIS 23 37.689 7.454 4.144 166 HB3 HIS 23 HB1 HIS 23 38.874 8.160 3.020 167 HD1 HIS 23 HD1 HIS 23 38.507 4.986 1.608 168 HD2 HIS 23 HD2 HIS 23 35.956 8.325 1.781 169 HE1 HIS 23 HE1 HIS 23 36.781 4.723 -0.258 170 H TYR 24 HN TYR 24 39.797 4.980 5.866 171 HA TYR 24 HA TYR 24 38.375 2.534 5.379 172 HB2 TYR 24 HB2 TYR 24 38.783 2.033 7.699 173 HB3 TYR 24 HB1 TYR 24 40.210 2.891 7.079 174 HD1 TYR 24 HD1 TYR 24 37.455 2.958 9.473 175 HD2 TYR 24 HD2 TYR 24 40.480 5.370 7.559 176 HE1 TYR 24 HE1 TYR 24 37.182 4.700 11.234 177 HE2 TYR 24 HE2 TYR 24 40.205 7.112 9.318 178 HH TYR 24 HH TYR 24 37.860 7.572 11.153 179 H LEU 25 HN LEU 25 37.150 5.583 5.665 180 HA LEU 25 HA LEU 25 34.896 5.089 7.434 181 HB2 LEU 25 HB2 LEU 25 35.007 7.150 5.204 182 HB3 LEU 25 HB1 LEU 25 34.108 7.227 6.738 183 HG LEU 25 HG LEU 25 37.147 7.252 6.444 184 HD11 LEU 25 HD11 LEU 25 35.236 9.437 7.376 185 HD12 LEU 25 HD12 LEU 25 35.915 9.339 5.733 186 HD13 LEU 25 HD13 LEU 25 36.993 9.578 7.129 187 HD21 LEU 25 HD21 LEU 25 35.277 7.270 8.850 188 HD22 LEU 25 HD22 LEU 25 36.941 7.896 8.945 189 HD23 LEU 25 HD23 LEU 25 36.656 6.191 8.531 Start of MODEL 28 1 H1 GLY 1 HT1 GLY 1 68.246 16.748 -6.423 2 H2 GLY 1 HT2 GLY 1 68.245 15.211 -7.149 3 H3 GLY 1 HT3 GLY 1 66.984 15.663 -6.101 4 HA2 GLY 1 HA1 GLY 1 67.585 17.080 -8.603 5 HA3 GLY 1 HA2 GLY 1 66.465 15.706 -8.512 6 H TRP 2 HN TRP 2 64.400 16.107 -8.096 7 HA TRP 2 HA TRP 2 63.477 18.810 -7.773 8 HB2 TRP 2 HB2 TRP 2 62.001 16.200 -7.241 9 HB3 TRP 2 HB1 TRP 2 61.259 17.796 -7.502 10 HD1 TRP 2 HD1 TRP 2 61.082 18.683 -9.940 11 HE1 TRP 2 HE1 TRP 2 61.544 17.670 -12.290 12 HE3 TRP 2 HE3 TRP 2 63.645 14.486 -8.519 13 HZ2 TRP 2 HZ2 TRP 2 62.855 15.344 -13.372 14 HZ3 TRP 2 HZ3 TRP 2 64.492 12.884 -10.226 15 HH2 TRP 2 HH2 TRP 2 64.101 13.309 -12.648 16 H GLY 3 HN GLY 3 62.955 20.004 -6.031 17 HA2 GLY 3 HA1 GLY 3 63.956 19.166 -3.453 18 HA3 GLY 3 HA2 GLY 3 63.045 20.648 -3.805 19 H SER 4 HN SER 4 61.125 18.389 -5.086 20 HA SER 4 HA SER 4 59.058 17.579 -4.394 21 HB2 SER 4 HB2 SER 4 59.172 16.107 -2.343 22 HB3 SER 4 HB1 SER 4 60.396 15.746 -3.580 23 HG SER 4 HG SER 4 60.891 16.173 -1.116 24 H ILE 5 HN ILE 5 58.124 19.683 -4.152 25 HA ILE 5 HA ILE 5 58.233 21.246 -1.798 26 HB ILE 5 HB ILE 5 57.194 21.897 -4.030 27 HG12 ILE 5 HG12 ILE 5 55.619 22.326 -1.454 28 HG13 ILE 5 HG11 ILE 5 56.949 23.329 -2.071 29 HG21 ILE 5 HG21 ILE 5 54.953 21.257 -4.554 30 HG22 ILE 5 HG22 ILE 5 54.690 20.555 -2.939 31 HG23 ILE 5 HG23 ILE 5 55.772 19.745 -4.098 32 HD11 ILE 5 HD1 ILE 5 55.478 23.675 -4.177 33 HD12 ILE 5 HD2 ILE 5 54.975 24.508 -2.686 34 HD13 ILE 5 HD3 ILE 5 54.144 23.020 -3.198 35 H PHE 6 HN PHE 6 56.062 18.547 -2.677 36 HA PHE 6 HA PHE 6 55.622 17.956 0.168 37 HB2 PHE 6 HB2 PHE 6 53.406 19.084 -1.584 38 HB3 PHE 6 HB1 PHE 6 53.044 18.007 -0.217 39 HD1 PHE 6 HD1 PHE 6 54.380 18.649 2.048 40 HD2 PHE 6 HD2 PHE 6 53.408 21.405 -1.133 41 HE1 PHE 6 HE1 PHE 6 54.570 20.555 3.637 42 HE2 PHE 6 HE2 PHE 6 53.605 23.308 0.459 43 HZ PHE 6 HZ PHE 6 54.173 22.883 2.846 44 H LYS 7 HN LYS 7 55.811 17.209 -3.113 45 HA LYS 7 HA LYS 7 54.174 14.952 -3.448 46 HB2 LYS 7 HB2 LYS 7 57.030 15.333 -4.426 47 HB3 LYS 7 HB1 LYS 7 55.841 14.189 -5.095 48 HG2 LYS 7 HG2 LYS 7 54.314 16.212 -5.490 49 HG3 LYS 7 HG1 LYS 7 55.724 17.231 -5.117 50 HD2 LYS 7 HD2 LYS 7 55.628 15.096 -7.294 51 HD3 LYS 7 HD1 LYS 7 55.466 16.845 -7.569 52 HE2 LYS 7 HE2 LYS 7 57.754 17.048 -6.332 53 HE3 LYS 7 HE1 LYS 7 57.899 15.296 -6.621 54 HZ1 LYS 7 HZ1 LYS 7 57.750 15.630 -8.944 55 HZ2 LYS 7 HZ2 LYS 7 58.878 16.767 -8.375 56 HZ3 LYS 7 HZ3 LYS 7 57.300 17.257 -8.772 57 H HIS 8 HN HIS 8 56.818 15.394 -1.279 58 HA HIS 8 HA HIS 8 57.602 12.602 -1.090 59 HB2 HIS 8 HB2 HIS 8 59.077 14.473 -0.398 60 HB3 HIS 8 HB1 HIS 8 57.943 14.867 0.915 61 HD1 HIS 8 HD1 HIS 8 59.018 14.091 3.036 62 HD2 HIS 8 HD2 HIS 8 59.471 11.302 -0.079 63 HE1 HIS 8 HE1 HIS 8 60.127 12.014 4.028 64 H GLY 9 HN GLY 9 54.696 13.947 -0.457 65 HA2 GLY 9 HA1 GLY 9 53.880 11.738 1.224 66 HA3 GLY 9 HA2 GLY 9 53.980 13.245 2.155 67 H ARG 10 HN ARG 10 53.221 13.426 -1.233 68 HA ARG 10 HA ARG 10 50.450 14.313 -0.523 69 HB2 ARG 10 HB2 ARG 10 52.195 15.641 -1.993 70 HB3 ARG 10 HB1 ARG 10 51.720 14.510 -3.274 71 HG2 ARG 10 HG2 ARG 10 50.179 16.246 -3.630 72 HG3 ARG 10 HG1 ARG 10 49.241 15.186 -2.557 73 HD2 ARG 10 HD2 ARG 10 49.789 16.567 -0.621 74 HD3 ARG 10 HD1 ARG 10 50.920 17.547 -1.586 75 HE ARG 10 HE ARG 10 48.142 17.515 -2.578 76 HH11 ARG 10 HH11 ARG 10 47.078 18.954 -0.698 77 HH12 ARG 10 HH12 ARG 10 47.815 20.521 -0.642 78 HH21 ARG 10 HH21 ARG 10 50.599 19.570 -2.476 79 HH22 ARG 10 HH22 ARG 10 49.808 20.869 -1.648 80 H HIS 11 HN HIS 11 52.012 11.532 -1.354 81 HA HIS 11 HA HIS 11 49.498 10.290 -2.216 82 HB2 HIS 11 HB2 HIS 11 50.578 9.240 -4.253 83 HB3 HIS 11 HB1 HIS 11 50.260 10.984 -4.413 84 HD1 HIS 11 HD1 HIS 11 53.157 8.892 -2.955 85 HD2 HIS 11 HD2 HIS 11 52.494 12.254 -5.391 86 HE1 HIS 11 HE1 HIS 11 55.442 9.749 -3.710 87 H ALA 12 HN ALA 12 49.336 8.275 -1.906 88 HA ALA 12 HA ALA 12 49.709 6.193 -1.048 89 HB1 ALA 12 HB1 ALA 12 51.922 6.485 -2.253 90 HB2 ALA 12 HB2 ALA 12 51.894 5.383 -0.853 91 HB3 ALA 12 HB3 ALA 12 52.466 7.043 -0.681 92 H ALA 13 HN ALA 13 51.343 9.033 0.244 93 HA ALA 13 HA ALA 13 51.286 8.085 3.011 94 HB1 ALA 13 HB1 ALA 13 50.938 10.662 3.373 95 HB2 ALA 13 HB2 ALA 13 51.253 10.819 1.628 96 HB3 ALA 13 HB3 ALA 13 52.509 10.162 2.706 97 H LYS 14 HN LYS 14 49.771 8.059 0.216 98 HA LYS 14 HA LYS 14 46.883 8.453 1.368 99 HB2 LYS 14 HB2 LYS 14 47.894 9.820 -0.636 100 HB3 LYS 14 HB1 LYS 14 47.896 8.234 -1.494 101 HG2 LYS 14 HG2 LYS 14 45.592 8.302 -1.826 102 HG3 LYS 14 HG1 LYS 14 45.258 8.956 -0.210 103 HD2 LYS 14 HD2 LYS 14 44.572 10.632 -1.777 104 HD3 LYS 14 HD1 LYS 14 46.105 11.217 -1.094 105 HE2 LYS 14 HE2 LYS 14 47.304 10.256 -3.074 106 HE3 LYS 14 HE1 LYS 14 45.736 9.780 -3.760 107 HZ1 LYS 14 HZ1 LYS 14 46.843 12.066 -4.358 108 HZ2 LYS 14 HZ2 LYS 14 46.103 12.567 -2.913 109 HZ3 LYS 14 HZ3 LYS 14 45.163 11.932 -4.176 110 H HIS 15 HN HIS 15 45.497 7.177 -0.516 111 HA HIS 15 HA HIS 15 44.601 5.018 -0.765 112 HB2 HIS 15 HB2 HIS 15 45.907 5.582 -2.816 113 HB3 HIS 15 HB1 HIS 15 47.308 4.734 -2.122 114 HD1 HIS 15 HD1 HIS 15 47.299 2.166 -2.108 115 HD2 HIS 15 HD2 HIS 15 43.721 3.847 -3.547 116 HE1 HIS 15 HE1 HIS 15 45.932 0.272 -3.143 117 H ILE 16 HN ILE 16 46.417 5.390 1.659 118 HA ILE 16 HA ILE 16 46.216 2.989 2.770 119 HB ILE 16 HB ILE 16 47.684 1.772 1.291 120 HG12 ILE 16 HG12 ILE 16 49.590 2.568 3.524 121 HG13 ILE 16 HG11 ILE 16 48.125 1.627 3.871 122 HG21 ILE 16 HG21 ILE 16 49.541 4.180 1.580 123 HG22 ILE 16 HG22 ILE 16 48.753 3.644 0.090 124 HG23 ILE 16 HG23 ILE 16 50.033 2.665 0.825 125 HD11 ILE 16 HD1 ILE 16 50.516 0.836 2.168 126 HD12 ILE 16 HD2 ILE 16 48.954 -0.001 2.012 127 HD13 ILE 16 HD3 ILE 16 49.817 -0.008 3.564 128 H GLY 17 HN GLY 17 48.405 5.428 2.281 129 HA2 GLY 17 HA1 GLY 17 49.069 5.687 5.120 130 HA3 GLY 17 HA2 GLY 17 49.486 6.832 3.832 131 H HIS 18 HN HIS 18 46.506 6.286 2.955 132 HA HIS 18 HA HIS 18 45.411 8.565 4.590 133 HB2 HIS 18 HB2 HIS 18 44.873 7.335 1.925 134 HB3 HIS 18 HB1 HIS 18 43.396 7.747 2.818 135 HD1 HIS 18 HD1 HIS 18 46.512 9.813 3.333 136 HD2 HIS 18 HD2 HIS 18 42.992 9.987 1.041 137 HE1 HIS 18 HE1 HIS 18 46.300 12.197 2.440 138 H ALA 19 HN ALA 19 45.149 5.100 4.028 139 HA ALA 19 HA ALA 19 43.856 4.712 6.598 140 HB1 ALA 19 HB1 ALA 19 41.833 5.446 5.612 141 HB2 ALA 19 HB2 ALA 19 41.735 3.671 5.595 142 HB3 ALA 19 HB3 ALA 19 42.137 4.554 4.098 143 H ALA 20 HN ALA 20 43.595 3.145 3.404 144 HA ALA 20 HA ALA 20 45.552 1.104 3.958 145 HB1 ALA 20 HB1 ALA 20 43.690 0.428 5.545 146 HB2 ALA 20 HB2 ALA 20 44.141 -0.798 4.337 147 HB3 ALA 20 HB3 ALA 20 42.667 0.172 4.113 148 H VAL 21 HN VAL 21 42.942 2.588 2.273 149 HA VAL 21 HA VAL 21 43.976 1.560 -0.308 150 HB VAL 21 HB VAL 21 41.048 1.191 0.493 151 HG11 VAL 21 HG11 VAL 21 42.596 0.770 -2.096 152 HG12 VAL 21 HG12 VAL 21 41.142 1.762 -1.833 153 HG13 VAL 21 HG13 VAL 21 41.025 -0.009 -1.789 154 HG21 VAL 21 HG21 VAL 21 43.347 -0.768 0.063 155 HG22 VAL 21 HG22 VAL 21 41.640 -1.267 0.062 156 HG23 VAL 21 HG23 VAL 21 42.354 -0.559 1.524 157 H ASN 22 HN ASN 22 42.321 3.852 1.693 158 HA ASN 22 HA ASN 22 42.711 6.107 0.126 159 HB2 ASN 22 HB2 ASN 22 41.440 5.377 -1.745 160 HB3 ASN 22 HB1 ASN 22 40.200 4.624 -0.713 161 HD21 ASN 22 HD21 ASN 22 41.675 7.938 -1.135 162 HD22 ASN 22 HD22 ASN 22 40.119 8.774 -1.109 163 H HIS 23 HN HIS 23 40.281 4.338 2.012 164 HA HIS 23 HA HIS 23 40.292 6.323 4.117 165 HB2 HIS 23 HB2 HIS 23 38.949 7.520 2.347 166 HB3 HIS 23 HB1 HIS 23 37.754 6.206 2.450 167 HD1 HIS 23 HD1 HIS 23 39.678 7.945 5.286 168 HD2 HIS 23 HD2 HIS 23 35.728 7.285 3.997 169 HE1 HIS 23 HE1 HIS 23 38.124 8.935 7.056 170 H TYR 24 HN TYR 24 40.452 3.392 3.519 171 HA TYR 24 HA TYR 24 38.197 1.925 4.225 172 HB2 TYR 24 HB2 TYR 24 40.527 1.075 3.647 173 HB3 TYR 24 HB1 TYR 24 40.966 1.365 5.346 174 HD1 TYR 24 HD1 TYR 24 39.991 0.018 7.154 175 HD2 TYR 24 HD2 TYR 24 38.917 -0.672 3.033 176 HE1 TYR 24 HE1 TYR 24 38.966 -2.164 7.787 177 HE2 TYR 24 HE2 TYR 24 37.891 -2.852 3.664 178 HH TYR 24 HH TYR 24 37.153 -4.122 5.577 179 H LEU 25 HN LEU 25 39.913 4.207 6.179 180 HA LEU 25 HA LEU 25 39.284 3.135 8.768 181 HB2 LEU 25 HB2 LEU 25 40.933 5.004 8.213 182 HB3 LEU 25 HB1 LEU 25 39.526 6.072 8.030 183 HG LEU 25 HG LEU 25 38.857 5.202 10.438 184 HD11 LEU 25 HD11 LEU 25 41.835 4.537 10.314 185 HD12 LEU 25 HD12 LEU 25 40.500 3.435 10.720 186 HD13 LEU 25 HD13 LEU 25 40.933 4.752 11.830 187 HD21 LEU 25 HD21 LEU 25 40.228 6.998 11.473 188 HD22 LEU 25 HD22 LEU 25 39.521 7.526 9.927 189 HD23 LEU 25 HD23 LEU 25 41.237 7.063 10.009 Start of MODEL 29 1 H1 GLY 1 HT1 GLY 1 65.595 6.633 -4.718 2 H2 GLY 1 HT2 GLY 1 64.128 6.877 -5.541 3 H3 GLY 1 HT3 GLY 1 64.126 6.487 -3.887 4 HA2 GLY 1 HA1 GLY 1 63.796 8.670 -3.713 5 HA3 GLY 1 HA2 GLY 1 65.570 8.610 -3.715 6 H TRP 2 HN TRP 2 64.419 10.944 -4.400 7 HA TRP 2 HA TRP 2 65.386 11.286 -7.127 8 HB2 TRP 2 HB2 TRP 2 63.060 10.374 -7.499 9 HB3 TRP 2 HB1 TRP 2 62.425 11.799 -6.644 10 HD1 TRP 2 HD1 TRP 2 62.051 13.894 -8.046 11 HE1 TRP 2 HE1 TRP 2 62.693 14.704 -10.432 12 HE3 TRP 2 HE3 TRP 2 65.158 10.054 -9.393 13 HZ2 TRP 2 HZ2 TRP 2 64.339 13.783 -12.608 14 HZ3 TRP 2 HZ3 TRP 2 66.253 10.041 -11.629 15 HH2 TRP 2 HH2 TRP 2 65.846 11.900 -13.237 16 H GLY 3 HN GLY 3 62.887 12.888 -5.100 17 HA2 GLY 3 HA1 GLY 3 64.574 14.877 -4.008 18 HA3 GLY 3 HA2 GLY 3 63.958 15.507 -5.549 19 H SER 4 HN SER 4 61.611 13.462 -4.679 20 HA SER 4 HA SER 4 59.480 13.791 -3.825 21 HB2 SER 4 HB2 SER 4 60.906 15.472 -1.729 22 HB3 SER 4 HB1 SER 4 59.312 14.700 -1.578 23 HG SER 4 HG SER 4 61.402 13.615 -0.773 24 H ILE 5 HN ILE 5 59.264 15.118 -5.875 25 HA ILE 5 HA ILE 5 59.316 17.998 -5.700 26 HB ILE 5 HB ILE 5 57.547 16.371 -7.574 27 HG12 ILE 5 HG12 ILE 5 60.531 16.989 -7.786 28 HG13 ILE 5 HG11 ILE 5 59.797 15.378 -7.608 29 HG21 ILE 5 HG21 ILE 5 57.746 18.256 -9.031 30 HG22 ILE 5 HG22 ILE 5 59.095 18.942 -8.094 31 HG23 ILE 5 HG23 ILE 5 57.448 18.949 -7.421 32 HD11 ILE 5 HD1 ILE 5 59.666 17.260 -9.987 33 HD12 ILE 5 HD2 ILE 5 58.487 15.941 -9.783 34 HD13 ILE 5 HD3 ILE 5 60.221 15.571 -9.937 35 H PHE 6 HN PHE 6 56.852 15.514 -5.142 36 HA PHE 6 HA PHE 6 55.291 17.377 -3.504 37 HB2 PHE 6 HB2 PHE 6 54.225 16.394 -6.182 38 HB3 PHE 6 HB1 PHE 6 53.174 16.973 -4.870 39 HD1 PHE 6 HD1 PHE 6 54.977 17.987 -7.763 40 HD2 PHE 6 HD2 PHE 6 53.924 19.299 -3.786 41 HE1 PHE 6 HE1 PHE 6 55.387 20.351 -8.432 42 HE2 PHE 6 HE2 PHE 6 54.338 21.663 -4.457 43 HZ PHE 6 HZ PHE 6 55.099 22.185 -6.770 44 H LYS 7 HN LYS 7 56.493 14.415 -4.317 45 HA LYS 7 HA LYS 7 54.414 12.590 -3.671 46 HB2 LYS 7 HB2 LYS 7 57.394 12.345 -3.098 47 HB3 LYS 7 HB1 LYS 7 56.224 11.004 -3.169 48 HG2 LYS 7 HG2 LYS 7 55.686 11.709 -5.544 49 HG3 LYS 7 HG1 LYS 7 57.043 12.858 -5.445 50 HD2 LYS 7 HD2 LYS 7 58.604 11.010 -4.976 51 HD3 LYS 7 HD1 LYS 7 57.256 9.846 -5.011 52 HE2 LYS 7 HE2 LYS 7 58.550 9.953 -7.173 53 HE3 LYS 7 HE1 LYS 7 56.821 10.332 -7.357 54 HZ1 LYS 7 HZ1 LYS 7 59.006 12.337 -7.083 55 HZ2 LYS 7 HZ2 LYS 7 57.356 12.680 -7.296 56 HZ3 LYS 7 HZ3 LYS 7 58.236 11.917 -8.534 57 H HIS 8 HN HIS 8 57.176 13.174 -1.478 58 HA HIS 8 HA HIS 8 55.542 12.506 0.839 59 HB2 HIS 8 HB2 HIS 8 58.305 13.780 0.723 60 HB3 HIS 8 HB1 HIS 8 57.563 12.968 2.123 61 HD1 HIS 8 HD1 HIS 8 59.087 12.305 -1.282 62 HD2 HIS 8 HD2 HIS 8 57.449 10.117 1.911 63 HE1 HIS 8 HE1 HIS 8 59.693 9.850 -1.650 64 H GLY 9 HN GLY 9 53.845 14.146 0.377 65 HA2 GLY 9 HA1 GLY 9 54.133 16.362 2.170 66 HA3 GLY 9 HA2 GLY 9 54.304 16.933 0.499 67 H ARG 10 HN ARG 10 52.499 14.782 -0.507 68 HA ARG 10 HA ARG 10 49.913 15.230 0.771 69 HB2 ARG 10 HB2 ARG 10 48.915 16.389 -1.246 70 HB3 ARG 10 HB1 ARG 10 50.028 17.394 -0.286 71 HG2 ARG 10 HG2 ARG 10 51.838 17.003 -1.865 72 HG3 ARG 10 HG1 ARG 10 50.853 15.828 -2.768 73 HD2 ARG 10 HD2 ARG 10 50.928 18.115 -3.834 74 HD3 ARG 10 HD1 ARG 10 49.284 17.565 -3.434 75 HE ARG 10 HE ARG 10 49.148 19.328 -1.864 76 HH11 ARG 10 HH11 ARG 10 51.662 18.559 -0.367 77 HH12 ARG 10 HH12 ARG 10 52.636 19.976 -0.578 78 HH21 ARG 10 HH21 ARG 10 50.724 21.229 -3.184 79 HH22 ARG 10 HH22 ARG 10 52.106 21.488 -2.171 80 H HIS 11 HN HIS 11 51.751 13.104 -0.274 81 HA HIS 11 HA HIS 11 49.651 11.500 -1.525 82 HB2 HIS 11 HB2 HIS 11 50.615 12.748 -3.496 83 HB3 HIS 11 HB1 HIS 11 52.188 12.004 -3.126 84 HD1 HIS 11 HD1 HIS 11 48.576 10.684 -3.432 85 HD2 HIS 11 HD2 HIS 11 52.495 9.697 -4.592 86 HE1 HIS 11 HE1 HIS 11 48.446 8.536 -4.810 87 H ALA 12 HN ALA 12 49.918 9.455 -1.499 88 HA ALA 12 HA ALA 12 50.637 7.401 -0.815 89 HB1 ALA 12 HB1 ALA 12 52.920 7.036 -0.438 90 HB2 ALA 12 HB2 ALA 12 53.099 8.742 -0.029 91 HB3 ALA 12 HB3 ALA 12 52.835 8.273 -1.710 92 H ALA 13 HN ALA 13 51.486 10.312 0.978 93 HA ALA 13 HA ALA 13 51.334 8.993 3.590 94 HB1 ALA 13 HB1 ALA 13 50.472 11.361 4.236 95 HB2 ALA 13 HB2 ALA 13 50.830 11.841 2.560 96 HB3 ALA 13 HB3 ALA 13 52.145 11.306 3.634 97 H LYS 14 HN LYS 14 50.171 9.045 0.636 98 HA LYS 14 HA LYS 14 47.172 8.710 1.442 99 HB2 LYS 14 HB2 LYS 14 48.070 10.503 -0.241 100 HB3 LYS 14 HB1 LYS 14 48.487 9.083 -1.270 101 HG2 LYS 14 HG2 LYS 14 46.261 8.755 -1.872 102 HG3 LYS 14 HG1 LYS 14 45.636 9.153 -0.254 103 HD2 LYS 14 HD2 LYS 14 45.838 11.535 -0.700 104 HD3 LYS 14 HD1 LYS 14 46.679 11.222 -2.238 105 HE2 LYS 14 HE2 LYS 14 44.657 10.071 -3.104 106 HE3 LYS 14 HE1 LYS 14 43.814 10.412 -1.573 107 HZ1 LYS 14 HZ1 LYS 14 44.407 12.172 -3.794 108 HZ2 LYS 14 HZ2 LYS 14 44.742 12.841 -2.268 109 HZ3 LYS 14 HZ3 LYS 14 43.182 12.271 -2.624 110 H HIS 15 HN HIS 15 46.261 7.479 -0.713 111 HA HIS 15 HA HIS 15 45.837 5.242 -1.296 112 HB2 HIS 15 HB2 HIS 15 47.239 6.325 -3.095 113 HB3 HIS 15 HB1 HIS 15 48.665 5.554 -2.362 114 HD1 HIS 15 HD1 HIS 15 45.255 4.623 -3.856 115 HD2 HIS 15 HD2 HIS 15 49.058 2.947 -3.216 116 HE1 HIS 15 HE1 HIS 15 45.262 2.310 -4.944 117 H ILE 16 HN ILE 16 47.270 5.637 1.337 118 HA ILE 16 HA ILE 16 47.468 3.122 2.155 119 HB ILE 16 HB ILE 16 49.294 2.419 0.790 120 HG12 ILE 16 HG12 ILE 16 50.904 3.266 3.219 121 HG13 ILE 16 HG11 ILE 16 49.526 2.177 3.459 122 HG21 ILE 16 HG21 ILE 16 50.080 4.578 -0.096 123 HG22 ILE 16 HG22 ILE 16 51.450 3.817 0.732 124 HG23 ILE 16 HG23 ILE 16 50.546 5.100 1.535 125 HD11 ILE 16 HD1 ILE 16 51.570 0.863 3.139 126 HD12 ILE 16 HD2 ILE 16 51.894 1.688 1.597 127 HD13 ILE 16 HD3 ILE 16 50.482 0.617 1.755 128 H GLY 17 HN GLY 17 49.067 6.024 2.249 129 HA2 GLY 17 HA1 GLY 17 49.369 5.981 5.159 130 HA3 GLY 17 HA2 GLY 17 49.584 7.388 4.102 131 H HIS 18 HN HIS 18 46.942 6.342 2.750 132 HA HIS 18 HA HIS 18 45.156 7.910 4.620 133 HB2 HIS 18 HB2 HIS 18 45.112 8.493 2.213 134 HB3 HIS 18 HB1 HIS 18 44.588 6.842 1.823 135 HD1 HIS 18 HD1 HIS 18 42.448 6.285 3.878 136 HD2 HIS 18 HD2 HIS 18 42.881 10.069 2.109 137 HE1 HIS 18 HE1 HIS 18 40.196 7.470 4.067 138 H ALA 19 HN ALA 19 45.427 4.649 3.051 139 HA ALA 19 HA ALA 19 44.028 3.464 5.332 140 HB1 ALA 19 HB1 ALA 19 42.107 4.564 4.190 141 HB2 ALA 19 HB2 ALA 19 41.971 2.792 4.243 142 HB3 ALA 19 HB3 ALA 19 42.472 3.601 2.737 143 H ALA 20 HN ALA 20 46.449 2.839 4.016 144 HA ALA 20 HA ALA 20 47.544 0.978 3.180 145 HB1 ALA 20 HB1 ALA 20 45.983 -0.105 4.921 146 HB2 ALA 20 HB2 ALA 20 46.683 -1.161 3.671 147 HB3 ALA 20 HB3 ALA 20 44.997 -0.615 3.532 148 H VAL 21 HN VAL 21 44.680 2.202 1.716 149 HA VAL 21 HA VAL 21 45.609 1.154 -0.909 150 HB VAL 21 HB VAL 21 42.699 0.846 -0.050 151 HG11 VAL 21 HG11 VAL 21 43.047 1.177 -2.458 152 HG12 VAL 21 HG12 VAL 21 42.610 -0.521 -2.146 153 HG13 VAL 21 HG13 VAL 21 44.304 -0.083 -2.473 154 HG21 VAL 21 HG21 VAL 21 44.956 -1.199 -0.207 155 HG22 VAL 21 HG22 VAL 21 43.232 -1.630 -0.128 156 HG23 VAL 21 HG23 VAL 21 43.996 -0.765 1.227 157 H ASN 22 HN ASN 22 43.449 3.207 1.020 158 HA ASN 22 HA ASN 22 43.864 5.647 -0.094 159 HB2 ASN 22 HB2 ASN 22 43.443 5.169 -2.366 160 HB3 ASN 22 HB1 ASN 22 42.126 4.036 -1.987 161 HD21 ASN 22 HD21 ASN 22 42.847 7.223 -3.026 162 HD22 ASN 22 HD22 ASN 22 41.250 7.927 -2.752 163 H HIS 23 HN HIS 23 41.111 3.405 0.411 164 HA HIS 23 HA HIS 23 40.227 4.922 2.725 165 HB2 HIS 23 HB2 HIS 23 39.430 6.425 0.899 166 HB3 HIS 23 HB1 HIS 23 38.483 5.073 0.232 167 HD1 HIS 23 HD1 HIS 23 38.477 4.713 3.824 168 HD2 HIS 23 HD2 HIS 23 36.390 7.164 1.120 169 HE1 HIS 23 HE1 HIS 23 36.371 5.537 5.013 170 H TYR 24 HN TYR 24 40.203 2.986 3.784 171 HA TYR 24 HA TYR 24 37.797 1.410 3.507 172 HB2 TYR 24 HB2 TYR 24 39.024 0.464 1.583 173 HB3 TYR 24 HB1 TYR 24 40.400 0.083 2.646 174 HD1 TYR 24 HD1 TYR 24 36.735 -0.562 2.136 175 HD2 TYR 24 HD2 TYR 24 40.414 -1.927 3.936 176 HE1 TYR 24 HE1 TYR 24 35.627 -2.699 2.782 177 HE2 TYR 24 HE2 TYR 24 39.305 -4.063 4.580 178 HH TYR 24 HH TYR 24 35.880 -4.688 3.776 179 H LEU 25 HN LEU 25 40.334 2.672 5.138 180 HA LEU 25 HA LEU 25 41.283 2.298 7.230 181 HB2 LEU 25 HB2 LEU 25 38.674 0.912 7.928 182 HB3 LEU 25 HB1 LEU 25 39.721 1.900 8.975 183 HG LEU 25 HG LEU 25 38.087 2.888 6.595 184 HD11 LEU 25 HD11 LEU 25 37.874 3.570 9.557 185 HD12 LEU 25 HD12 LEU 25 36.867 2.341 8.754 186 HD13 LEU 25 HD13 LEU 25 36.758 4.047 8.255 187 HD21 LEU 25 HD21 LEU 25 40.070 4.224 6.632 188 HD22 LEU 25 HD22 LEU 25 40.122 4.246 8.411 189 HD23 LEU 25 HD23 LEU 25 38.873 5.170 7.543 Start of MODEL 30 1 H1 GLY 1 HT1 GLY 1 65.877 10.872 8.907 2 H2 GLY 1 HT2 GLY 1 66.298 11.752 7.515 3 H3 GLY 1 HT3 GLY 1 66.150 10.061 7.444 4 HA2 GLY 1 HA1 GLY 1 64.216 10.732 6.509 5 HA3 GLY 1 HA2 GLY 1 63.778 10.436 8.204 6 H TRP 2 HN TRP 2 64.858 12.985 5.940 7 HA TRP 2 HA TRP 2 64.200 15.184 7.659 8 HB2 TRP 2 HB2 TRP 2 64.247 15.039 4.618 9 HB3 TRP 2 HB1 TRP 2 64.253 16.531 5.587 10 HD1 TRP 2 HD1 TRP 2 66.477 17.233 6.754 11 HE1 TRP 2 HE1 TRP 2 68.938 16.402 6.628 12 HE3 TRP 2 HE3 TRP 2 65.711 12.814 4.284 13 HZ2 TRP 2 HZ2 TRP 2 70.350 14.119 5.587 14 HZ3 TRP 2 HZ3 TRP 2 67.630 11.326 3.735 15 HH2 TRP 2 HH2 TRP 2 69.946 11.972 4.383 16 H GLY 3 HN GLY 3 62.471 14.394 4.621 17 HA2 GLY 3 HA1 GLY 3 59.927 13.886 5.638 18 HA3 GLY 3 HA2 GLY 3 60.049 15.656 5.599 19 H SER 4 HN SER 4 62.069 14.780 3.219 20 HA SER 4 HA SER 4 61.891 14.844 0.908 21 HB2 SER 4 HB2 SER 4 59.225 13.426 1.239 22 HB3 SER 4 HB1 SER 4 60.366 13.328 -0.121 23 HG SER 4 HG SER 4 61.433 12.705 2.350 24 H ILE 5 HN ILE 5 60.642 15.700 -0.952 25 HA ILE 5 HA ILE 5 59.447 18.223 -0.240 26 HB ILE 5 HB ILE 5 58.998 18.467 -2.657 27 HG12 ILE 5 HG12 ILE 5 59.752 15.505 -2.731 28 HG13 ILE 5 HG11 ILE 5 58.188 16.221 -3.182 29 HG21 ILE 5 HG21 ILE 5 61.349 18.670 -1.643 30 HG22 ILE 5 HG22 ILE 5 61.276 18.394 -3.398 31 HG23 ILE 5 HG23 ILE 5 61.668 17.048 -2.301 32 HD11 ILE 5 HD1 ILE 5 59.541 17.598 -4.929 33 HD12 ILE 5 HD2 ILE 5 59.275 15.869 -5.261 34 HD13 ILE 5 HD3 ILE 5 60.845 16.423 -4.634 35 H PHE 6 HN PHE 6 57.296 18.157 -2.290 36 HA PHE 6 HA PHE 6 55.117 17.554 -0.542 37 HB2 PHE 6 HB2 PHE 6 55.067 17.758 -3.577 38 HB3 PHE 6 HB1 PHE 6 53.695 17.982 -2.466 39 HD1 PHE 6 HD1 PHE 6 53.460 20.009 -1.131 40 HD2 PHE 6 HD2 PHE 6 56.894 19.426 -3.680 41 HE1 PHE 6 HE1 PHE 6 54.065 22.410 -0.866 42 HE2 PHE 6 HE2 PHE 6 57.498 21.828 -3.415 43 HZ PHE 6 HZ PHE 6 56.037 23.337 -2.074 44 H LYS 7 HN LYS 7 57.197 15.402 -1.921 45 HA LYS 7 HA LYS 7 55.458 13.421 -3.033 46 HB2 LYS 7 HB2 LYS 7 57.979 13.498 -3.224 47 HB3 LYS 7 HB1 LYS 7 58.058 12.930 -1.538 48 HG2 LYS 7 HG2 LYS 7 56.775 10.911 -2.134 49 HG3 LYS 7 HG1 LYS 7 56.633 11.482 -3.815 50 HD2 LYS 7 HD2 LYS 7 59.098 11.441 -4.045 51 HD3 LYS 7 HD1 LYS 7 59.246 10.870 -2.365 52 HE2 LYS 7 HE2 LYS 7 59.386 8.939 -3.841 53 HE3 LYS 7 HE1 LYS 7 57.828 8.878 -2.983 54 HZ1 LYS 7 HZ1 LYS 7 57.361 8.459 -5.239 55 HZ2 LYS 7 HZ2 LYS 7 58.345 9.734 -5.781 56 HZ3 LYS 7 HZ3 LYS 7 56.884 10.066 -4.978 57 H HIS 8 HN HIS 8 56.748 13.899 0.274 58 HA HIS 8 HA HIS 8 55.158 11.629 1.300 59 HB2 HIS 8 HB2 HIS 8 57.424 12.166 2.178 60 HB3 HIS 8 HB1 HIS 8 56.799 13.719 2.782 61 HD1 HIS 8 HD1 HIS 8 55.240 10.203 2.916 62 HD2 HIS 8 HD2 HIS 8 56.560 13.243 5.504 63 HE1 HIS 8 HE1 HIS 8 54.593 9.516 5.290 64 H GLY 9 HN GLY 9 53.149 12.830 0.360 65 HA2 GLY 9 HA1 GLY 9 51.528 13.634 2.501 66 HA3 GLY 9 HA2 GLY 9 52.186 15.131 1.816 67 H ARG 10 HN ARG 10 52.316 13.994 -0.918 68 HA ARG 10 HA ARG 10 49.565 14.664 -1.677 69 HB2 ARG 10 HB2 ARG 10 52.061 13.934 -3.233 70 HB3 ARG 10 HB1 ARG 10 50.490 14.232 -4.017 71 HG2 ARG 10 HG2 ARG 10 50.394 16.487 -3.107 72 HG3 ARG 10 HG1 ARG 10 51.865 16.207 -2.148 73 HD2 ARG 10 HD2 ARG 10 53.236 16.072 -4.113 74 HD3 ARG 10 HD1 ARG 10 51.818 15.964 -5.181 75 HE ARG 10 HE ARG 10 52.974 18.415 -4.146 76 HH11 ARG 10 HH11 ARG 10 51.189 19.928 -3.386 77 HH12 ARG 10 HH12 ARG 10 49.845 20.027 -4.474 78 HH21 ARG 10 HH21 ARG 10 50.745 17.197 -6.266 79 HH22 ARG 10 HH22 ARG 10 49.594 18.482 -6.105 80 H HIS 11 HN HIS 11 50.758 12.451 -3.822 81 HA HIS 11 HA HIS 11 48.695 10.470 -3.075 82 HB2 HIS 11 HB2 HIS 11 50.509 10.453 -5.510 83 HB3 HIS 11 HB1 HIS 11 48.963 9.599 -5.288 84 HD1 HIS 11 HD1 HIS 11 48.481 12.804 -3.778 85 HD2 HIS 11 HD2 HIS 11 48.658 11.487 -7.768 86 HE1 HIS 11 HE1 HIS 11 47.298 14.557 -5.212 87 H ALA 12 HN ALA 12 48.988 8.429 -2.746 88 HA ALA 12 HA ALA 12 49.949 6.491 -2.011 89 HB1 ALA 12 HB1 ALA 12 52.207 6.068 -2.524 90 HB2 ALA 12 HB2 ALA 12 52.495 7.811 -2.535 91 HB3 ALA 12 HB3 ALA 12 51.585 7.071 -3.855 92 H ALA 13 HN ALA 13 51.464 9.601 -1.270 93 HA ALA 13 HA ALA 13 52.393 8.762 1.373 94 HB1 ALA 13 HB1 ALA 13 53.050 11.012 0.410 95 HB2 ALA 13 HB2 ALA 13 52.111 11.196 1.910 96 HB3 ALA 13 HB3 ALA 13 51.330 11.456 0.331 97 H LYS 14 HN LYS 14 50.112 8.484 -0.840 98 HA LYS 14 HA LYS 14 47.697 8.490 1.154 99 HB2 LYS 14 HB2 LYS 14 47.831 9.839 -1.086 100 HB3 LYS 14 HB1 LYS 14 47.790 8.217 -1.869 101 HG2 LYS 14 HG2 LYS 14 45.515 7.970 -1.439 102 HG3 LYS 14 HG1 LYS 14 45.609 8.728 0.167 103 HD2 LYS 14 HD2 LYS 14 45.640 10.957 -0.843 104 HD3 LYS 14 HD1 LYS 14 45.702 10.250 -2.476 105 HE2 LYS 14 HE2 LYS 14 43.503 9.108 -1.992 106 HE3 LYS 14 HE1 LYS 14 43.428 10.009 -0.458 107 HZ1 LYS 14 HZ1 LYS 14 44.002 11.657 -2.756 108 HZ2 LYS 14 HZ2 LYS 14 42.865 11.879 -1.513 109 HZ3 LYS 14 HZ3 LYS 14 42.492 10.890 -2.842 110 H HIS 15 HN HIS 15 45.997 6.967 -0.115 111 HA HIS 15 HA HIS 15 45.345 4.723 -0.009 112 HB2 HIS 15 HB2 HIS 15 47.445 4.668 -2.207 113 HB3 HIS 15 HB1 HIS 15 46.074 3.546 -2.024 114 HD1 HIS 15 HD1 HIS 15 46.938 6.275 -4.040 115 HD2 HIS 15 HD2 HIS 15 43.531 5.400 -1.737 116 HE1 HIS 15 HE1 HIS 15 45.029 7.726 -4.923 117 H ILE 16 HN ILE 16 47.852 5.438 1.595 118 HA ILE 16 HA ILE 16 48.297 3.068 2.764 119 HB ILE 16 HB ILE 16 49.325 2.014 0.899 120 HG12 ILE 16 HG12 ILE 16 51.673 1.679 1.553 121 HG13 ILE 16 HG11 ILE 16 51.602 3.100 2.615 122 HG21 ILE 16 HG21 ILE 16 51.292 3.154 -0.286 123 HG22 ILE 16 HG22 ILE 16 50.842 4.631 0.571 124 HG23 ILE 16 HG23 ILE 16 49.713 3.909 -0.590 125 HD11 ILE 16 HD1 ILE 16 49.710 0.728 2.893 126 HD12 ILE 16 HD2 ILE 16 49.993 2.037 4.063 127 HD13 ILE 16 HD3 ILE 16 51.262 0.830 3.755 128 H GLY 17 HN GLY 17 49.833 5.773 1.621 129 HA2 GLY 17 HA1 GLY 17 51.277 6.233 4.134 130 HA3 GLY 17 HA2 GLY 17 51.101 7.385 2.796 131 H HIS 18 HN HIS 18 48.123 6.378 2.804 132 HA HIS 18 HA HIS 18 47.214 8.453 4.796 133 HB2 HIS 18 HB2 HIS 18 46.100 7.221 2.301 134 HB3 HIS 18 HB1 HIS 18 44.907 7.540 3.575 135 HD1 HIS 18 HD1 HIS 18 47.907 9.801 3.321 136 HD2 HIS 18 HD2 HIS 18 43.920 9.750 1.985 137 HE1 HIS 18 HE1 HIS 18 47.327 12.170 2.560 138 H ALA 19 HN ALA 19 46.655 4.972 3.925 139 HA ALA 19 HA ALA 19 46.590 4.035 6.583 140 HB1 ALA 19 HB1 ALA 19 43.958 3.761 6.733 141 HB2 ALA 19 HB2 ALA 19 43.945 5.187 5.671 142 HB3 ALA 19 HB3 ALA 19 44.716 5.272 7.274 143 H ALA 20 HN ALA 20 46.669 3.593 3.424 144 HA ALA 20 HA ALA 20 46.470 1.737 2.041 145 HB1 ALA 20 HB1 ALA 20 46.060 0.068 4.543 146 HB2 ALA 20 HB2 ALA 20 47.654 0.706 4.078 147 HB3 ALA 20 HB3 ALA 20 46.794 -0.414 2.996 148 H VAL 21 HN VAL 21 44.137 3.133 3.643 149 HA VAL 21 HA VAL 21 41.983 1.580 2.300 150 HB VAL 21 HB VAL 21 41.901 2.330 5.258 151 HG11 VAL 21 HG11 VAL 21 39.678 2.509 4.441 152 HG12 VAL 21 HG12 VAL 21 39.745 0.850 5.064 153 HG13 VAL 21 HG13 VAL 21 39.879 1.146 3.315 154 HG21 VAL 21 HG21 VAL 21 41.765 -0.193 5.567 155 HG22 VAL 21 HG22 VAL 21 43.332 0.388 4.967 156 HG23 VAL 21 HG23 VAL 21 42.174 -0.362 3.842 157 H ASN 22 HN ASN 22 43.576 4.349 3.253 158 HA ASN 22 HA ASN 22 43.148 6.522 2.386 159 HB2 ASN 22 HB2 ASN 22 40.157 6.025 2.573 160 HB3 ASN 22 HB1 ASN 22 41.009 7.336 1.732 161 HD21 ASN 22 HD21 ASN 22 39.170 5.687 0.304 162 HD22 ASN 22 HD22 ASN 22 40.091 4.702 -0.839 163 H HIS 23 HN HIS 23 41.216 4.978 4.886 164 HA HIS 23 HA HIS 23 42.068 7.014 6.833 165 HB2 HIS 23 HB2 HIS 23 39.119 6.682 6.143 166 HB3 HIS 23 HB1 HIS 23 39.760 7.611 7.519 167 HD1 HIS 23 HD1 HIS 23 39.709 7.567 3.703 168 HD2 HIS 23 HD2 HIS 23 40.812 10.136 6.844 169 HE1 HIS 23 HE1 HIS 23 40.169 9.864 2.683 170 H TYR 24 HN TYR 24 40.267 6.479 8.860 171 HA TYR 24 HA TYR 24 39.938 4.931 10.554 172 HB2 TYR 24 HB2 TYR 24 39.670 2.888 8.319 173 HB3 TYR 24 HB1 TYR 24 38.952 2.823 9.946 174 HD1 TYR 24 HD1 TYR 24 38.682 4.235 6.562 175 HD2 TYR 24 HD2 TYR 24 37.136 4.413 10.588 176 HE1 TYR 24 HE1 TYR 24 36.689 5.485 5.741 177 HE2 TYR 24 HE2 TYR 24 35.143 5.664 9.767 178 HH TYR 24 HH TYR 24 34.679 6.324 6.293 179 H LEU 25 HN LEU 25 42.674 5.381 9.419 180 HA LEU 25 HA LEU 25 44.807 4.484 9.638 181 HB2 LEU 25 HB2 LEU 25 43.296 3.167 11.920 182 HB3 LEU 25 HB1 LEU 25 45.031 2.868 11.665 183 HG LEU 25 HG LEU 25 45.498 5.280 11.826 184 HD11 LEU 25 HD11 LEU 25 43.519 6.742 12.673 185 HD12 LEU 25 HD12 LEU 25 42.467 5.456 12.033 186 HD13 LEU 25 HD13 LEU 25 43.561 6.341 10.942 187 HD21 LEU 25 HD21 LEU 25 45.419 3.868 13.891 188 HD22 LEU 25 HD22 LEU 25 43.712 4.320 14.107 189 HD23 LEU 25 HD23 LEU 25 44.982 5.563 14.212 Start of MODEL 31 1 H1 GLY 1 HT1 GLY 1 65.069 11.020 10.423 2 H2 GLY 1 HT2 GLY 1 65.088 10.210 8.930 3 H3 GLY 1 HT3 GLY 1 63.646 10.326 9.821 4 HA2 GLY 1 HA1 GLY 1 63.281 12.460 9.296 5 HA3 GLY 1 HA2 GLY 1 65.011 12.772 9.053 6 H TRP 2 HN TRP 2 62.014 12.005 7.592 7 HA TRP 2 HA TRP 2 63.041 10.818 5.155 8 HB2 TRP 2 HB2 TRP 2 60.432 12.253 5.788 9 HB3 TRP 2 HB1 TRP 2 60.772 11.421 4.252 10 HD1 TRP 2 HD1 TRP 2 60.374 10.723 8.017 11 HE1 TRP 2 HE1 TRP 2 59.782 8.216 8.369 12 HE3 TRP 2 HE3 TRP 2 60.866 9.091 3.189 13 HZ2 TRP 2 HZ2 TRP 2 59.561 5.845 6.748 14 HZ3 TRP 2 HZ3 TRP 2 60.459 6.702 2.616 15 HH2 TRP 2 HH2 TRP 2 59.809 5.080 4.390 16 H GLY 3 HN GLY 3 61.677 14.083 5.825 17 HA2 GLY 3 HA1 GLY 3 62.310 16.142 4.959 18 HA3 GLY 3 HA2 GLY 3 63.778 15.385 4.312 19 H SER 4 HN SER 4 61.089 13.627 3.331 20 HA SER 4 HA SER 4 61.420 14.493 0.577 21 HB2 SER 4 HB2 SER 4 59.623 12.883 0.103 22 HB3 SER 4 HB1 SER 4 60.831 12.169 1.194 23 HG SER 4 HG SER 4 58.821 11.760 2.053 24 H ILE 5 HN ILE 5 59.805 15.399 -0.807 25 HA ILE 5 HA ILE 5 58.468 17.663 0.392 26 HB ILE 5 HB ILE 5 57.919 16.455 -2.353 27 HG12 ILE 5 HG12 ILE 5 60.420 16.947 -1.795 28 HG13 ILE 5 HG11 ILE 5 59.745 17.657 -3.272 29 HG21 ILE 5 HG21 ILE 5 57.523 19.212 -1.130 30 HG22 ILE 5 HG22 ILE 5 56.286 18.113 -1.785 31 HG23 ILE 5 HG23 ILE 5 57.445 18.903 -2.880 32 HD11 ILE 5 HD1 ILE 5 61.162 19.230 -1.855 33 HD12 ILE 5 HD2 ILE 5 59.884 19.169 -0.625 34 HD13 ILE 5 HD3 ILE 5 59.534 19.827 -2.239 35 H PHE 6 HN PHE 6 57.210 16.618 2.046 36 HA PHE 6 HA PHE 6 55.234 15.763 2.895 37 HB2 PHE 6 HB2 PHE 6 54.234 16.757 0.196 38 HB3 PHE 6 HB1 PHE 6 53.167 16.151 1.483 39 HD1 PHE 6 HD1 PHE 6 53.321 17.250 3.808 40 HD2 PHE 6 HD2 PHE 6 55.028 19.008 0.253 41 HE1 PHE 6 HE1 PHE 6 53.393 19.468 4.939 42 HE2 PHE 6 HE2 PHE 6 55.099 21.227 1.385 43 HZ PHE 6 HZ PHE 6 54.329 21.445 3.746 44 H LYS 7 HN LYS 7 56.941 13.852 1.957 45 HA LYS 7 HA LYS 7 57.003 11.633 1.319 46 HB2 LYS 7 HB2 LYS 7 53.989 11.739 1.706 47 HB3 LYS 7 HB1 LYS 7 55.023 10.290 1.736 48 HG2 LYS 7 HG2 LYS 7 56.306 11.384 3.656 49 HG3 LYS 7 HG1 LYS 7 55.015 12.612 3.706 50 HD2 LYS 7 HD2 LYS 7 53.350 10.687 3.928 51 HD3 LYS 7 HD1 LYS 7 54.749 9.613 4.167 52 HE2 LYS 7 HE2 LYS 7 53.883 10.323 6.349 53 HE3 LYS 7 HE1 LYS 7 55.485 11.051 6.079 54 HZ1 LYS 7 HZ1 LYS 7 53.427 12.477 6.859 55 HZ2 LYS 7 HZ2 LYS 7 53.127 12.549 5.188 56 HZ3 LYS 7 HZ3 LYS 7 54.602 13.114 5.814 57 H HIS 8 HN HIS 8 57.597 12.539 -0.820 58 HA HIS 8 HA HIS 8 57.477 12.394 -3.121 59 HB2 HIS 8 HB2 HIS 8 56.829 9.998 -2.496 60 HB3 HIS 8 HB1 HIS 8 55.139 10.483 -2.766 61 HD1 HIS 8 HD1 HIS 8 58.215 11.545 -4.793 62 HD2 HIS 8 HD2 HIS 8 54.617 9.422 -5.276 63 HE1 HIS 8 HE1 HIS 8 58.019 10.931 -7.266 64 H GLY 9 HN GLY 9 56.331 14.616 -2.168 65 HA2 GLY 9 HA1 GLY 9 54.881 16.308 -2.771 66 HA3 GLY 9 HA2 GLY 9 54.639 15.423 -4.287 67 H ARG 10 HN ARG 10 53.797 14.546 -0.911 68 HA ARG 10 HA ARG 10 51.751 14.121 0.052 69 HB2 ARG 10 HB2 ARG 10 51.244 16.426 -1.072 70 HB3 ARG 10 HB1 ARG 10 50.339 15.478 -2.266 71 HG2 ARG 10 HG2 ARG 10 48.687 16.022 -0.665 72 HG3 ARG 10 HG1 ARG 10 49.160 14.369 -0.218 73 HD2 ARG 10 HD2 ARG 10 50.394 15.108 1.671 74 HD3 ARG 10 HD1 ARG 10 50.511 16.777 1.067 75 HE ARG 10 HE ARG 10 48.453 17.184 2.117 76 HH11 ARG 10 HH11 ARG 10 49.023 14.386 3.443 77 HH12 ARG 10 HH12 ARG 10 47.452 13.673 3.285 78 HH21 ARG 10 HH21 ARG 10 46.319 16.038 1.015 79 HH22 ARG 10 HH22 ARG 10 45.921 14.609 1.910 80 H HIS 11 HN HIS 11 52.877 12.098 -1.382 81 HA HIS 11 HA HIS 11 50.444 10.619 -2.221 82 HB2 HIS 11 HB2 HIS 11 52.937 10.818 -3.969 83 HB3 HIS 11 HB1 HIS 11 51.562 9.724 -4.251 84 HD1 HIS 11 HD1 HIS 11 52.630 13.334 -4.472 85 HD2 HIS 11 HD2 HIS 11 49.205 11.010 -5.216 86 HE1 HIS 11 HE1 HIS 11 50.973 14.805 -5.743 87 H ALA 12 HN ALA 12 50.500 9.549 -0.495 88 HA ALA 12 HA ALA 12 51.269 7.103 -0.026 89 HB1 ALA 12 HB1 ALA 12 53.482 8.946 0.534 90 HB2 ALA 12 HB2 ALA 12 53.596 7.507 -0.514 91 HB3 ALA 12 HB3 ALA 12 53.452 7.336 1.245 92 H ALA 13 HN ALA 13 51.704 10.407 0.963 93 HA ALA 13 HA ALA 13 50.904 9.961 3.766 94 HB1 ALA 13 HB1 ALA 13 50.389 12.342 1.888 95 HB2 ALA 13 HB2 ALA 13 51.829 12.209 2.925 96 HB3 ALA 13 HB3 ALA 13 50.212 12.340 3.657 97 H LYS 14 HN LYS 14 50.475 9.102 0.722 98 HA LYS 14 HA LYS 14 47.369 8.819 0.863 99 HB2 LYS 14 HB2 LYS 14 48.652 10.112 -0.995 100 HB3 LYS 14 HB1 LYS 14 49.349 8.505 -1.435 101 HG2 LYS 14 HG2 LYS 14 47.359 7.836 -2.451 102 HG3 LYS 14 HG1 LYS 14 46.327 8.612 -1.227 103 HD2 LYS 14 HD2 LYS 14 46.746 10.818 -2.280 104 HD3 LYS 14 HD1 LYS 14 47.784 10.038 -3.499 105 HE2 LYS 14 HE2 LYS 14 44.858 9.318 -3.031 106 HE3 LYS 14 HE1 LYS 14 45.421 10.445 -4.290 107 HZ1 LYS 14 HZ1 LYS 14 45.788 7.534 -4.087 108 HZ2 LYS 14 HZ2 LYS 14 46.996 8.449 -4.855 109 HZ3 LYS 14 HZ3 LYS 14 45.401 8.485 -5.438 110 H HIS 15 HN HIS 15 47.034 6.977 -0.995 111 HA HIS 15 HA HIS 15 46.732 4.663 -1.007 112 HB2 HIS 15 HB2 HIS 15 49.710 5.034 -1.477 113 HB3 HIS 15 HB1 HIS 15 48.797 3.557 -1.867 114 HD1 HIS 15 HD1 HIS 15 49.720 6.862 -3.195 115 HD2 HIS 15 HD2 HIS 15 46.694 4.027 -3.883 116 HE1 HIS 15 HE1 HIS 15 48.594 7.471 -5.406 117 H ILE 16 HN ILE 16 47.505 5.839 1.703 118 HA ILE 16 HA ILE 16 47.422 3.638 3.220 119 HB ILE 16 HB ILE 16 49.524 2.704 2.499 120 HG12 ILE 16 HG12 ILE 16 50.211 4.229 5.047 121 HG13 ILE 16 HG11 ILE 16 49.124 2.825 5.015 122 HG21 ILE 16 HG21 ILE 16 50.540 4.612 1.346 123 HG22 ILE 16 HG22 ILE 16 51.645 4.165 2.659 124 HG23 ILE 16 HG23 ILE 16 50.561 5.544 2.855 125 HD11 ILE 16 HD1 ILE 16 51.151 1.770 5.504 126 HD12 ILE 16 HD2 ILE 16 52.113 2.937 4.575 127 HD13 ILE 16 HD3 ILE 16 51.186 1.675 3.730 128 H GLY 17 HN GLY 17 48.818 6.603 2.753 129 HA2 GLY 17 HA1 GLY 17 48.421 7.382 5.586 130 HA3 GLY 17 HA2 GLY 17 49.028 8.418 4.280 131 H HIS 18 HN HIS 18 46.820 6.847 2.645 132 HA HIS 18 HA HIS 18 44.654 8.864 3.261 133 HB2 HIS 18 HB2 HIS 18 45.552 7.347 0.841 134 HB3 HIS 18 HB1 HIS 18 43.792 7.492 1.009 135 HD1 HIS 18 HD1 HIS 18 43.743 9.119 -1.062 136 HD2 HIS 18 HD2 HIS 18 45.971 10.535 2.212 137 HE1 HIS 18 HE1 HIS 18 44.138 11.616 -1.430 138 H ALA 19 HN ALA 19 45.322 5.324 3.209 139 HA ALA 19 HA ALA 19 42.835 5.004 4.846 140 HB1 ALA 19 HB1 ALA 19 43.176 3.352 2.329 141 HB2 ALA 19 HB2 ALA 19 42.181 4.819 2.415 142 HB3 ALA 19 HB3 ALA 19 41.779 3.418 3.427 143 H ALA 20 HN ALA 20 45.804 4.634 5.139 144 HA ALA 20 HA ALA 20 47.164 3.123 6.249 145 HB1 ALA 20 HB1 ALA 20 46.186 1.613 7.765 146 HB2 ALA 20 HB2 ALA 20 44.740 1.386 6.753 147 HB3 ALA 20 HB3 ALA 20 44.992 2.923 7.614 148 H VAL 21 HN VAL 21 45.279 2.208 3.530 149 HA VAL 21 HA VAL 21 47.287 0.147 2.836 150 HB VAL 21 HB VAL 21 44.309 -0.520 3.010 151 HG11 VAL 21 HG11 VAL 21 46.702 -2.001 1.840 152 HG12 VAL 21 HG12 VAL 21 45.183 -1.561 1.025 153 HG13 VAL 21 HG13 VAL 21 45.186 -2.825 2.273 154 HG21 VAL 21 HG21 VAL 21 46.773 -1.471 4.536 155 HG22 VAL 21 HG22 VAL 21 45.232 -2.360 4.544 156 HG23 VAL 21 HG23 VAL 21 45.305 -0.713 5.199 157 H ASN 22 HN ASN 22 44.675 2.375 1.996 158 HA ASN 22 HA ASN 22 45.722 2.586 -0.697 159 HB2 ASN 22 HB2 ASN 22 44.602 0.445 -1.014 160 HB3 ASN 22 HB1 ASN 22 43.086 1.108 -0.367 161 HD21 ASN 22 HD21 ASN 22 41.859 0.882 -2.337 162 HD22 ASN 22 HD22 ASN 22 42.238 1.832 -3.777 163 H HIS 23 HN HIS 23 42.257 2.685 -0.332 164 HA HIS 23 HA HIS 23 42.248 5.624 0.227 165 HB2 HIS 23 HB2 HIS 23 40.960 4.369 -2.226 166 HB3 HIS 23 HB1 HIS 23 40.868 6.079 -1.737 167 HD1 HIS 23 HD1 HIS 23 42.512 4.185 -4.163 168 HD2 HIS 23 HD2 HIS 23 43.895 6.938 -1.300 169 HE1 HIS 23 HE1 HIS 23 44.800 5.012 -4.944 170 H TYR 24 HN TYR 24 40.677 6.115 1.598 171 HA TYR 24 HA TYR 24 38.716 4.079 2.354 172 HB2 TYR 24 HB2 TYR 24 39.700 5.709 3.978 173 HB3 TYR 24 HB1 TYR 24 38.870 7.027 3.118 174 HD1 TYR 24 HD1 TYR 24 36.458 7.324 3.284 175 HD2 TYR 24 HD2 TYR 24 38.406 3.988 5.208 176 HE1 TYR 24 HE1 TYR 24 34.380 6.858 4.580 177 HE2 TYR 24 HE2 TYR 24 36.330 3.522 6.503 178 HH TYR 24 HH TYR 24 34.135 4.992 7.193 179 H LEU 25 HN LEU 25 39.020 6.165 -0.207 180 HA LEU 25 HA LEU 25 36.255 5.752 -1.021 181 HB2 LEU 25 HB2 LEU 25 35.923 8.374 -1.262 182 HB3 LEU 25 HB1 LEU 25 35.555 7.569 0.281 183 HG LEU 25 HG LEU 25 37.739 8.197 1.188 184 HD11 LEU 25 HD11 LEU 25 38.206 9.243 -1.633 185 HD12 LEU 25 HD12 LEU 25 39.209 8.111 -0.692 186 HD13 LEU 25 HD13 LEU 25 39.150 9.829 -0.241 187 HD21 LEU 25 HD21 LEU 25 37.429 10.643 1.239 188 HD22 LEU 25 HD22 LEU 25 35.854 9.819 1.330 189 HD23 LEU 25 HD23 LEU 25 36.387 10.555 -0.200 Start of MODEL 32 1 H1 GLY 1 HT1 GLY 1 65.194 9.821 -11.507 2 H2 GLY 1 HT2 GLY 1 63.577 9.630 -11.997 3 H3 GLY 1 HT3 GLY 1 64.084 9.056 -10.480 4 HA2 GLY 1 HA1 GLY 1 63.905 11.857 -11.364 5 HA3 GLY 1 HA2 GLY 1 62.862 11.039 -10.184 6 H TRP 2 HN TRP 2 63.494 10.817 -8.092 7 HA TRP 2 HA TRP 2 66.287 11.301 -7.307 8 HB2 TRP 2 HB2 TRP 2 64.106 13.321 -6.649 9 HB3 TRP 2 HB1 TRP 2 65.684 13.245 -5.829 10 HD1 TRP 2 HD1 TRP 2 64.023 14.813 -8.698 11 HE1 TRP 2 HE1 TRP 2 65.733 15.860 -10.354 12 HE3 TRP 2 HE3 TRP 2 68.301 12.627 -6.929 13 HZ2 TRP 2 HZ2 TRP 2 68.571 15.742 -10.821 14 HZ3 TRP 2 HZ3 TRP 2 70.499 13.110 -7.995 15 HH2 TRP 2 HH2 TRP 2 70.639 14.663 -9.937 16 H GLY 3 HN GLY 3 63.346 12.103 -5.482 17 HA2 GLY 3 HA1 GLY 3 62.835 9.597 -4.308 18 HA3 GLY 3 HA2 GLY 3 64.086 10.369 -3.313 19 H SER 4 HN SER 4 62.289 12.767 -4.780 20 HA SER 4 HA SER 4 60.782 14.295 -3.908 21 HB2 SER 4 HB2 SER 4 59.320 12.222 -4.334 22 HB3 SER 4 HB1 SER 4 59.405 11.935 -2.581 23 HG SER 4 HG SER 4 57.761 13.280 -2.622 24 H ILE 5 HN ILE 5 59.576 14.973 -1.784 25 HA ILE 5 HA ILE 5 61.136 14.241 0.652 26 HB ILE 5 HB ILE 5 60.808 17.166 -0.148 27 HG12 ILE 5 HG12 ILE 5 63.189 15.297 -0.551 28 HG13 ILE 5 HG11 ILE 5 62.266 16.136 -1.819 29 HG21 ILE 5 HG21 ILE 5 62.295 17.588 1.684 30 HG22 ILE 5 HG22 ILE 5 62.738 15.870 1.820 31 HG23 ILE 5 HG23 ILE 5 61.112 16.411 2.297 32 HD11 ILE 5 HD1 ILE 5 64.152 17.323 0.244 33 HD12 ILE 5 HD2 ILE 5 62.943 18.329 -0.591 34 HD13 ILE 5 HD3 ILE 5 64.199 17.483 -1.526 35 H PHE 6 HN PHE 6 58.541 16.153 -0.878 36 HA PHE 6 HA PHE 6 57.103 16.454 1.680 37 HB2 PHE 6 HB2 PHE 6 56.411 17.143 -1.202 38 HB3 PHE 6 HB1 PHE 6 55.339 17.467 0.181 39 HD1 PHE 6 HD1 PHE 6 55.942 19.131 1.890 40 HD2 PHE 6 HD2 PHE 6 58.509 18.377 -1.496 41 HE1 PHE 6 HE1 PHE 6 57.201 21.224 2.379 42 HE2 PHE 6 HE2 PHE 6 59.768 20.472 -1.008 43 HZ PHE 6 HZ PHE 6 59.081 21.920 0.900 44 H LYS 7 HN LYS 7 57.480 13.814 1.482 45 HA LYS 7 HA LYS 7 56.354 11.785 1.439 46 HB2 LYS 7 HB2 LYS 7 53.812 13.441 1.299 47 HB3 LYS 7 HB1 LYS 7 54.008 11.797 1.951 48 HG2 LYS 7 HG2 LYS 7 55.534 12.687 3.705 49 HG3 LYS 7 HG1 LYS 7 55.284 14.331 3.070 50 HD2 LYS 7 HD2 LYS 7 52.835 14.098 3.493 51 HD3 LYS 7 HD1 LYS 7 53.130 12.490 4.197 52 HE2 LYS 7 HE2 LYS 7 54.226 15.149 5.211 53 HE3 LYS 7 HE1 LYS 7 52.994 14.135 6.000 54 HZ1 LYS 7 HZ1 LYS 7 55.888 13.653 5.693 55 HZ2 LYS 7 HZ2 LYS 7 54.830 12.334 5.853 56 HZ3 LYS 7 HZ3 LYS 7 54.915 13.510 7.075 57 H HIS 8 HN HIS 8 57.363 11.784 -0.821 58 HA HIS 8 HA HIS 8 57.160 11.357 -3.096 59 HB2 HIS 8 HB2 HIS 8 55.986 9.383 -1.995 60 HB3 HIS 8 HB1 HIS 8 54.448 10.207 -2.344 61 HD1 HIS 8 HD1 HIS 8 53.526 10.058 -4.701 62 HD2 HIS 8 HD2 HIS 8 57.476 8.643 -4.395 63 HE1 HIS 8 HE1 HIS 8 54.134 9.005 -6.948 64 H GLY 9 HN GLY 9 55.725 13.820 -1.820 65 HA2 GLY 9 HA1 GLY 9 54.886 15.710 -2.928 66 HA3 GLY 9 HA2 GLY 9 54.587 14.741 -4.382 67 H ARG 10 HN ARG 10 53.482 14.659 -0.955 68 HA ARG 10 HA ARG 10 51.361 14.483 -0.071 69 HB2 ARG 10 HB2 ARG 10 50.771 16.103 -2.575 70 HB3 ARG 10 HB1 ARG 10 49.509 15.688 -1.395 71 HG2 ARG 10 HG2 ARG 10 50.520 17.930 -0.961 72 HG3 ARG 10 HG1 ARG 10 50.757 16.803 0.395 73 HD2 ARG 10 HD2 ARG 10 53.050 16.495 -0.105 74 HD3 ARG 10 HD1 ARG 10 52.867 17.082 -1.776 75 HE ARG 10 HE ARG 10 53.329 19.217 -0.913 76 HH11 ARG 10 HH11 ARG 10 51.451 20.505 0.338 77 HH12 ARG 10 HH12 ARG 10 51.614 20.300 2.050 78 HH21 ARG 10 HH21 ARG 10 53.696 17.538 1.788 79 HH22 ARG 10 HH22 ARG 10 52.884 18.618 2.872 80 H HIS 11 HN HIS 11 52.364 12.270 -1.535 81 HA HIS 11 HA HIS 11 49.774 10.956 -2.065 82 HB2 HIS 11 HB2 HIS 11 51.967 11.222 -4.154 83 HB3 HIS 11 HB1 HIS 11 50.825 9.858 -4.179 84 HD1 HIS 11 HD1 HIS 11 50.608 13.701 -3.886 85 HD2 HIS 11 HD2 HIS 11 48.598 10.465 -5.666 86 HE1 HIS 11 HE1 HIS 11 48.665 14.664 -5.239 87 H ALA 12 HN ALA 12 50.346 10.321 -0.055 88 HA ALA 12 HA ALA 12 51.175 7.640 0.076 89 HB1 ALA 12 HB1 ALA 12 52.985 9.807 0.911 90 HB2 ALA 12 HB2 ALA 12 53.406 8.593 -0.321 91 HB3 ALA 12 HB3 ALA 12 53.284 8.132 1.393 92 H ALA 13 HN ALA 13 51.085 10.902 1.315 93 HA ALA 13 HA ALA 13 50.282 10.153 4.047 94 HB1 ALA 13 HB1 ALA 13 49.294 12.407 4.106 95 HB2 ALA 13 HB2 ALA 13 49.406 12.551 2.336 96 HB3 ALA 13 HB3 ALA 13 50.885 12.566 3.326 97 H LYS 14 HN LYS 14 50.016 9.527 0.913 98 HA LYS 14 HA LYS 14 46.995 8.769 0.944 99 HB2 LYS 14 HB2 LYS 14 48.161 10.339 -0.764 100 HB3 LYS 14 HB1 LYS 14 49.083 8.857 -1.263 101 HG2 LYS 14 HG2 LYS 14 47.234 8.012 -2.412 102 HG3 LYS 14 HG1 LYS 14 46.064 8.567 -1.191 103 HD2 LYS 14 HD2 LYS 14 46.076 10.811 -2.102 104 HD3 LYS 14 HD1 LYS 14 47.441 10.425 -3.178 105 HE2 LYS 14 HE2 LYS 14 44.707 9.078 -3.291 106 HE3 LYS 14 HE1 LYS 14 45.235 10.395 -4.366 107 HZ1 LYS 14 HZ1 LYS 14 45.840 8.604 -5.607 108 HZ2 LYS 14 HZ2 LYS 14 46.108 7.597 -4.265 109 HZ3 LYS 14 HZ3 LYS 14 47.261 8.766 -4.696 110 H HIS 15 HN HIS 15 46.981 7.014 -1.034 111 HA HIS 15 HA HIS 15 47.029 4.679 -1.214 112 HB2 HIS 15 HB2 HIS 15 48.782 5.625 -2.727 113 HB3 HIS 15 HB1 HIS 15 49.985 5.348 -1.446 114 HD1 HIS 15 HD1 HIS 15 47.219 3.258 -3.142 115 HD2 HIS 15 HD2 HIS 15 51.164 2.878 -1.732 116 HE1 HIS 15 HE1 HIS 15 47.990 0.879 -3.667 117 H ILE 16 HN ILE 16 47.603 5.809 1.588 118 HA ILE 16 HA ILE 16 47.733 3.515 2.959 119 HB ILE 16 HB ILE 16 49.948 2.901 2.303 120 HG12 ILE 16 HG12 ILE 16 50.386 4.357 4.937 121 HG13 ILE 16 HG11 ILE 16 49.396 2.886 4.825 122 HG21 ILE 16 HG21 ILE 16 50.679 5.802 2.914 123 HG22 ILE 16 HG22 ILE 16 50.705 5.046 1.309 124 HG23 ILE 16 HG23 ILE 16 51.869 4.548 2.551 125 HD11 ILE 16 HD1 ILE 16 51.516 2.028 5.390 126 HD12 ILE 16 HD2 ILE 16 52.381 3.211 4.388 127 HD13 ILE 16 HD3 ILE 16 51.516 1.859 3.621 128 H GLY 17 HN GLY 17 48.941 6.599 2.847 129 HA2 GLY 17 HA1 GLY 17 48.325 7.149 5.662 130 HA3 GLY 17 HA2 GLY 17 48.786 8.344 4.434 131 H HIS 18 HN HIS 18 46.776 6.675 2.654 132 HA HIS 18 HA HIS 18 44.398 8.359 3.411 133 HB2 HIS 18 HB2 HIS 18 45.437 7.023 0.947 134 HB3 HIS 18 HB1 HIS 18 43.684 6.881 1.151 135 HD1 HIS 18 HD1 HIS 18 43.333 8.495 -0.902 136 HD2 HIS 18 HD2 HIS 18 45.399 10.221 2.328 137 HE1 HIS 18 HE1 HIS 18 43.317 11.027 -1.250 138 H ALA 19 HN ALA 19 45.439 4.967 2.957 139 HA ALA 19 HA ALA 19 44.184 3.717 5.021 140 HB1 ALA 19 HB1 ALA 19 42.107 4.459 2.959 141 HB2 ALA 19 HB2 ALA 19 41.964 4.407 4.732 142 HB3 ALA 19 HB3 ALA 19 41.956 2.896 3.796 143 H ALA 20 HN ALA 20 45.884 3.779 2.372 144 HA ALA 20 HA ALA 20 46.907 2.173 1.059 145 HB1 ALA 20 HB1 ALA 20 45.664 0.051 2.834 146 HB2 ALA 20 HB2 ALA 20 47.044 1.041 3.364 147 HB3 ALA 20 HB3 ALA 20 47.199 -0.010 1.937 148 H VAL 21 HN VAL 21 43.778 2.806 1.164 149 HA VAL 21 HA VAL 21 43.192 1.086 -1.205 150 HB VAL 21 HB VAL 21 41.280 1.348 1.163 151 HG11 VAL 21 HG11 VAL 21 40.094 -0.517 -0.202 152 HG12 VAL 21 HG12 VAL 21 41.132 -0.012 -1.557 153 HG13 VAL 21 HG13 VAL 21 39.988 1.141 -0.832 154 HG21 VAL 21 HG21 VAL 21 41.698 -1.137 1.391 155 HG22 VAL 21 HG22 VAL 21 43.123 -0.140 1.758 156 HG23 VAL 21 HG23 VAL 21 43.004 -0.978 0.193 157 H ASN 22 HN ASN 22 43.124 4.007 0.515 158 HA ASN 22 HA ASN 22 42.729 6.044 -0.838 159 HB2 ASN 22 HB2 ASN 22 41.451 4.964 -2.674 160 HB3 ASN 22 HB1 ASN 22 40.063 4.760 -1.570 161 HD21 ASN 22 HD21 ASN 22 38.592 6.231 -2.540 162 HD22 ASN 22 HD22 ASN 22 38.930 7.960 -2.674 163 H HIS 23 HN HIS 23 40.189 4.213 0.901 164 HA HIS 23 HA HIS 23 40.235 6.055 3.119 165 HB2 HIS 23 HB2 HIS 23 39.044 7.467 1.377 166 HB3 HIS 23 HB1 HIS 23 37.746 6.251 1.379 167 HD1 HIS 23 HD1 HIS 23 39.667 7.330 4.486 168 HD2 HIS 23 HD2 HIS 23 35.832 7.728 2.806 169 HE1 HIS 23 HE1 HIS 23 38.175 8.429 6.245 170 H TYR 24 HN TYR 24 39.316 3.255 1.484 171 HA TYR 24 HA TYR 24 37.151 2.423 3.260 172 HB2 TYR 24 HB2 TYR 24 38.910 0.913 1.292 173 HB3 TYR 24 HB1 TYR 24 37.555 0.179 2.184 174 HD1 TYR 24 HD1 TYR 24 38.427 2.996 -0.145 175 HD2 TYR 24 HD2 TYR 24 35.317 0.429 1.397 176 HE1 TYR 24 HE1 TYR 24 36.838 3.902 -1.838 177 HE2 TYR 24 HE2 TYR 24 33.730 1.335 -0.297 178 HH TYR 24 HH TYR 24 34.231 2.556 -2.834 179 H LEU 25 HN LEU 25 39.586 3.337 4.608 180 HA LEU 25 HA LEU 25 40.977 2.676 6.338 181 HB2 LEU 25 HB2 LEU 25 38.549 1.884 7.026 182 HB3 LEU 25 HB1 LEU 25 39.208 0.252 6.783 183 HG LEU 25 HG LEU 25 40.337 2.397 8.641 184 HD11 LEU 25 HD11 LEU 25 38.192 1.246 9.339 185 HD12 LEU 25 HD12 LEU 25 39.563 0.961 10.438 186 HD13 LEU 25 HD13 LEU 25 39.070 -0.299 9.282 187 HD21 LEU 25 HD21 LEU 25 41.297 -0.382 7.850 188 HD22 LEU 25 HD22 LEU 25 41.740 0.337 9.417 189 HD23 LEU 25 HD23 LEU 25 42.219 1.139 7.906 Start of MODEL 33 1 H1 GLY 1 HT1 GLY 1 67.294 24.876 -2.234 2 H2 GLY 1 HT2 GLY 1 67.145 24.906 -0.542 3 H3 GLY 1 HT3 GLY 1 65.820 24.458 -1.508 4 HA2 GLY 1 HA1 GLY 1 67.702 22.743 -2.313 5 HA3 GLY 1 HA2 GLY 1 68.047 22.928 -0.581 6 H TRP 2 HN TRP 2 66.275 21.247 -2.863 7 HA TRP 2 HA TRP 2 64.826 19.788 -0.822 8 HB2 TRP 2 HB2 TRP 2 62.525 20.329 -1.756 9 HB3 TRP 2 HB1 TRP 2 63.287 21.632 -0.813 10 HD1 TRP 2 HD1 TRP 2 62.952 20.533 -4.517 11 HE1 TRP 2 HE1 TRP 2 62.883 22.653 -6.022 12 HE3 TRP 2 HE3 TRP 2 63.638 24.104 -0.913 13 HZ2 TRP 2 HZ2 TRP 2 63.101 25.504 -5.674 14 HZ3 TRP 2 HZ3 TRP 2 63.704 26.517 -1.522 15 HH2 TRP 2 HH2 TRP 2 63.438 27.220 -3.897 16 H GLY 3 HN GLY 3 62.908 18.511 -2.170 17 HA2 GLY 3 HA1 GLY 3 63.697 17.830 -4.888 18 HA3 GLY 3 HA2 GLY 3 64.210 16.605 -3.711 19 H SER 4 HN SER 4 61.306 18.605 -3.429 20 HA SER 4 HA SER 4 59.534 16.534 -4.489 21 HB2 SER 4 HB2 SER 4 59.475 17.033 -1.490 22 HB3 SER 4 HB1 SER 4 58.445 15.920 -2.418 23 HG SER 4 HG SER 4 61.270 15.791 -2.053 24 H ILE 5 HN ILE 5 58.139 17.781 -5.539 25 HA ILE 5 HA ILE 5 57.596 20.510 -4.710 26 HB ILE 5 HB ILE 5 55.867 18.905 -6.637 27 HG12 ILE 5 HG12 ILE 5 58.608 20.153 -7.142 28 HG13 ILE 5 HG11 ILE 5 58.199 18.425 -7.238 29 HG21 ILE 5 HG21 ILE 5 55.376 21.345 -5.888 30 HG22 ILE 5 HG22 ILE 5 55.428 21.023 -7.636 31 HG23 ILE 5 HG23 ILE 5 56.818 21.792 -6.830 32 HD11 ILE 5 HD1 ILE 5 58.151 19.189 -9.496 33 HD12 ILE 5 HD2 ILE 5 57.287 20.681 -9.059 34 HD13 ILE 5 HD3 ILE 5 56.442 19.115 -9.010 35 H PHE 6 HN PHE 6 55.716 17.456 -4.673 36 HA PHE 6 HA PHE 6 54.284 18.341 -2.269 37 HB2 PHE 6 HB2 PHE 6 52.826 18.073 -4.928 38 HB3 PHE 6 HB1 PHE 6 52.012 18.046 -3.347 39 HD1 PHE 6 HD1 PHE 6 52.739 20.037 -1.696 40 HD2 PHE 6 HD2 PHE 6 53.033 20.168 -6.003 41 HE1 PHE 6 HE1 PHE 6 52.750 22.526 -1.622 42 HE2 PHE 6 HE2 PHE 6 53.044 22.657 -5.925 43 HZ PHE 6 HZ PHE 6 52.939 23.836 -3.732 44 H LYS 7 HN LYS 7 55.479 16.054 -4.450 45 HA LYS 7 HA LYS 7 53.848 13.799 -4.128 46 HB2 LYS 7 HB2 LYS 7 55.966 13.995 -5.509 47 HB3 LYS 7 HB1 LYS 7 56.886 13.751 -4.006 48 HG2 LYS 7 HG2 LYS 7 55.693 11.596 -3.640 49 HG3 LYS 7 HG1 LYS 7 54.821 11.833 -5.175 50 HD2 LYS 7 HD2 LYS 7 57.001 11.900 -6.382 51 HD3 LYS 7 HD1 LYS 7 57.844 11.591 -4.845 52 HE2 LYS 7 HE2 LYS 7 56.573 9.460 -4.600 53 HE3 LYS 7 HE1 LYS 7 55.798 9.759 -6.173 54 HZ1 LYS 7 HZ1 LYS 7 58.165 8.462 -5.769 55 HZ2 LYS 7 HZ2 LYS 7 58.654 10.006 -6.279 56 HZ3 LYS 7 HZ3 LYS 7 57.609 9.080 -7.248 57 H HIS 8 HN HIS 8 56.863 14.181 -2.225 58 HA HIS 8 HA HIS 8 55.824 12.440 -0.133 59 HB2 HIS 8 HB2 HIS 8 58.289 14.221 -0.264 60 HB3 HIS 8 HB1 HIS 8 57.944 13.063 1.043 61 HD1 HIS 8 HD1 HIS 8 57.068 10.562 -0.254 62 HD2 HIS 8 HD2 HIS 8 59.971 13.003 -2.071 63 HE1 HIS 8 HE1 HIS 8 58.412 9.088 -1.851 64 H GLY 9 HN GLY 9 53.812 13.839 0.086 65 HA2 GLY 9 HA1 GLY 9 53.835 15.129 2.588 66 HA3 GLY 9 HA2 GLY 9 54.015 16.406 1.368 67 H ARG 10 HN ARG 10 52.450 14.358 -0.435 68 HA ARG 10 HA ARG 10 49.721 14.678 0.723 69 HB2 ARG 10 HB2 ARG 10 50.614 15.906 -1.917 70 HB3 ARG 10 HB1 ARG 10 48.915 15.701 -1.428 71 HG2 ARG 10 HG2 ARG 10 49.436 17.034 0.660 72 HG3 ARG 10 HG1 ARG 10 51.046 17.367 -0.024 73 HD2 ARG 10 HD2 ARG 10 49.902 18.317 -2.068 74 HD3 ARG 10 HD1 ARG 10 48.349 18.138 -1.216 75 HE ARG 10 HE ARG 10 50.006 19.584 0.530 76 HH11 ARG 10 HH11 ARG 10 48.675 21.599 0.650 77 HH12 ARG 10 HH12 ARG 10 48.688 22.569 -0.785 78 HH21 ARG 10 HH21 ARG 10 50.076 20.087 -2.770 79 HH22 ARG 10 HH22 ARG 10 49.479 21.714 -2.721 80 H HIS 11 HN HIS 11 51.814 12.596 -0.193 81 HA HIS 11 HA HIS 11 49.809 10.842 -1.482 82 HB2 HIS 11 HB2 HIS 11 50.959 11.923 -3.418 83 HB3 HIS 11 HB1 HIS 11 52.519 11.351 -2.778 84 HD1 HIS 11 HD1 HIS 11 52.912 8.727 -2.696 85 HD2 HIS 11 HD2 HIS 11 49.511 9.985 -4.823 86 HE1 HIS 11 HE1 HIS 11 52.084 6.731 -4.059 87 H ALA 12 HN ALA 12 50.073 8.803 -1.258 88 HA ALA 12 HA ALA 12 50.726 6.810 -0.338 89 HB1 ALA 12 HB1 ALA 12 53.058 8.252 0.641 90 HB2 ALA 12 HB2 ALA 12 53.006 7.668 -1.025 91 HB3 ALA 12 HB3 ALA 12 52.953 6.528 0.342 92 H ALA 13 HN ALA 13 51.324 9.867 1.314 93 HA ALA 13 HA ALA 13 50.867 8.747 3.984 94 HB1 ALA 13 HB1 ALA 13 51.695 11.165 3.546 95 HB2 ALA 13 HB2 ALA 13 50.241 11.052 4.568 96 HB3 ALA 13 HB3 ALA 13 50.091 11.496 2.850 97 H LYS 14 HN LYS 14 50.070 8.569 0.911 98 HA LYS 14 HA LYS 14 46.993 8.244 1.370 99 HB2 LYS 14 HB2 LYS 14 48.081 9.895 -0.349 100 HB3 LYS 14 HB1 LYS 14 48.626 8.399 -1.190 101 HG2 LYS 14 HG2 LYS 14 46.499 7.997 -2.041 102 HG3 LYS 14 HG1 LYS 14 45.681 8.448 -0.531 103 HD2 LYS 14 HD2 LYS 14 45.004 10.030 -2.216 104 HD3 LYS 14 HD1 LYS 14 46.124 10.886 -1.133 105 HE2 LYS 14 HE2 LYS 14 47.979 10.179 -2.822 106 HE3 LYS 14 HE1 LYS 14 46.635 9.817 -3.930 107 HZ1 LYS 14 HZ1 LYS 14 47.404 12.069 -4.245 108 HZ2 LYS 14 HZ2 LYS 14 47.172 12.428 -2.601 109 HZ3 LYS 14 HZ3 LYS 14 45.837 12.094 -3.598 110 H HIS 15 HN HIS 15 46.375 6.792 -0.761 111 HA HIS 15 HA HIS 15 46.054 4.512 -1.196 112 HB2 HIS 15 HB2 HIS 15 48.950 5.041 -1.954 113 HB3 HIS 15 HB1 HIS 15 48.018 3.620 -2.481 114 HD1 HIS 15 HD1 HIS 15 48.990 6.797 -3.712 115 HD2 HIS 15 HD2 HIS 15 45.304 4.773 -3.603 116 HE1 HIS 15 HE1 HIS 15 47.504 7.824 -5.520 117 H ILE 16 HN ILE 16 47.272 5.182 1.558 118 HA ILE 16 HA ILE 16 47.318 2.706 2.600 119 HB ILE 16 HB ILE 16 49.285 1.958 1.500 120 HG12 ILE 16 HG12 ILE 16 50.344 3.037 4.143 121 HG13 ILE 16 HG11 ILE 16 49.208 1.675 4.055 122 HG21 ILE 16 HG21 ILE 16 50.131 4.072 0.575 123 HG22 ILE 16 HG22 ILE 16 51.416 3.383 1.585 124 HG23 ILE 16 HG23 ILE 16 50.417 4.696 2.210 125 HD11 ILE 16 HD1 ILE 16 52.099 1.812 3.157 126 HD12 ILE 16 HD2 ILE 16 50.997 0.671 2.352 127 HD13 ILE 16 HD3 ILE 16 51.274 0.557 4.103 128 H GLY 17 HN GLY 17 48.847 5.645 2.644 129 HA2 GLY 17 HA1 GLY 17 48.750 5.860 5.574 130 HA3 GLY 17 HA2 GLY 17 49.152 7.162 4.435 131 H HIS 18 HN HIS 18 46.750 5.963 2.818 132 HA HIS 18 HA HIS 18 44.698 7.729 4.134 133 HB2 HIS 18 HB2 HIS 18 45.226 6.694 1.378 134 HB3 HIS 18 HB1 HIS 18 43.510 6.719 1.825 135 HD1 HIS 18 HD1 HIS 18 45.925 9.289 3.215 136 HD2 HIS 18 HD2 HIS 18 42.905 9.022 0.300 137 HE1 HIS 18 HE1 HIS 18 45.435 11.663 2.405 138 H ALA 19 HN ALA 19 45.131 4.331 2.965 139 HA ALA 19 HA ALA 19 43.885 3.063 5.123 140 HB1 ALA 19 HB1 ALA 19 41.871 4.161 3.150 141 HB2 ALA 19 HB2 ALA 19 41.766 4.053 4.925 142 HB3 ALA 19 HB3 ALA 19 41.551 2.597 3.935 143 H ALA 20 HN ALA 20 45.509 3.069 2.388 144 HA ALA 20 HA ALA 20 46.230 1.419 0.922 145 HB1 ALA 20 HB1 ALA 20 46.328 -0.820 1.710 146 HB2 ALA 20 HB2 ALA 20 44.892 -0.609 2.741 147 HB3 ALA 20 HB3 ALA 20 46.423 0.190 3.170 148 H VAL 21 HN VAL 21 43.259 2.419 1.293 149 HA VAL 21 HA VAL 21 42.215 0.874 -1.038 150 HB VAL 21 HB VAL 21 40.653 1.352 1.547 151 HG11 VAL 21 HG11 VAL 21 39.082 1.566 -0.221 152 HG12 VAL 21 HG12 VAL 21 38.957 -0.146 0.236 153 HG13 VAL 21 HG13 VAL 21 39.883 0.322 -1.211 154 HG21 VAL 21 HG21 VAL 21 40.576 -1.156 1.619 155 HG22 VAL 21 HG22 VAL 21 42.231 -0.521 1.760 156 HG23 VAL 21 HG23 VAL 21 41.669 -1.202 0.214 157 H ASN 22 HN ASN 22 42.839 3.677 0.703 158 HA ASN 22 HA ASN 22 42.695 5.868 -0.240 159 HB2 ASN 22 HB2 ASN 22 41.547 4.881 -2.343 160 HB3 ASN 22 HB1 ASN 22 40.011 5.181 -1.489 161 HD21 ASN 22 HD21 ASN 22 41.167 6.535 -3.968 162 HD22 ASN 22 HD22 ASN 22 41.201 8.250 -3.547 163 H HIS 23 HN HIS 23 40.012 4.014 1.020 164 HA HIS 23 HA HIS 23 38.847 4.393 3.021 165 HB2 HIS 23 HB2 HIS 23 40.712 6.190 3.552 166 HB3 HIS 23 HB1 HIS 23 39.488 7.364 3.018 167 HD1 HIS 23 HD1 HIS 23 40.668 5.830 6.012 168 HD2 HIS 23 HD2 HIS 23 36.827 6.573 4.469 169 HE1 HIS 23 HE1 HIS 23 39.036 5.792 7.978 170 H TYR 24 HN TYR 24 38.804 6.809 0.417 171 HA TYR 24 HA TYR 24 35.986 7.479 0.842 172 HB2 TYR 24 HB2 TYR 24 37.953 8.006 -1.420 173 HB3 TYR 24 HB1 TYR 24 36.266 8.573 -1.442 174 HD1 TYR 24 HD1 TYR 24 35.554 10.436 -0.079 175 HD2 TYR 24 HD2 TYR 24 39.522 8.798 0.375 176 HE1 TYR 24 HE1 TYR 24 36.199 12.390 1.326 177 HE2 TYR 24 HE2 TYR 24 40.166 10.753 1.782 178 HH TYR 24 HH TYR 24 38.603 12.435 3.369 179 H LEU 25 HN LEU 25 37.168 4.626 0.189 180 HA LEU 25 HA LEU 25 36.279 2.744 -0.819 181 HB2 LEU 25 HB2 LEU 25 34.069 4.085 -0.202 182 HB3 LEU 25 HB1 LEU 25 33.952 4.319 -1.959 183 HG LEU 25 HG LEU 25 34.117 1.656 -0.473 184 HD11 LEU 25 HD11 LEU 25 31.934 2.856 -2.235 185 HD12 LEU 25 HD12 LEU 25 31.915 2.873 -0.455 186 HD13 LEU 25 HD13 LEU 25 31.853 1.325 -1.333 187 HD21 LEU 25 HD21 LEU 25 33.688 0.753 -2.863 188 HD22 LEU 25 HD22 LEU 25 35.333 1.323 -2.505 189 HD23 LEU 25 HD23 LEU 25 34.218 2.352 -3.438 Start of MODEL 34 1 H1 GLY 1 HT1 GLY 1 68.606 12.150 4.686 2 H2 GLY 1 HT2 GLY 1 67.429 13.156 3.987 3 H3 GLY 1 HT3 GLY 1 69.008 13.732 4.232 4 HA2 GLY 1 HA1 GLY 1 69.832 12.749 2.450 5 HA3 GLY 1 HA2 GLY 1 68.781 11.335 2.660 6 H TRP 2 HN TRP 2 66.643 11.370 1.866 7 HA TRP 2 HA TRP 2 66.374 12.962 -0.567 8 HB2 TRP 2 HB2 TRP 2 64.385 11.127 0.830 9 HB3 TRP 2 HB1 TRP 2 64.247 11.754 -0.830 10 HD1 TRP 2 HD1 TRP 2 65.557 8.885 1.060 11 HE1 TRP 2 HE1 TRP 2 67.139 7.418 -0.392 12 HE3 TRP 2 HE3 TRP 2 66.279 12.104 -2.857 13 HZ2 TRP 2 HZ2 TRP 2 68.516 7.642 -2.912 14 HZ3 TRP 2 HZ3 TRP 2 67.731 11.456 -4.773 15 HH2 TRP 2 HH2 TRP 2 68.849 9.230 -4.804 16 H GLY 3 HN GLY 3 65.456 14.887 -0.808 17 HA2 GLY 3 HA1 GLY 3 64.371 16.280 1.488 18 HA3 GLY 3 HA2 GLY 3 64.427 16.871 -0.184 19 H SER 4 HN SER 4 63.025 14.089 -0.753 20 HA SER 4 HA SER 4 60.830 13.558 -1.307 21 HB2 SER 4 HB2 SER 4 59.223 13.691 0.619 22 HB3 SER 4 HB1 SER 4 60.764 12.906 1.027 23 HG SER 4 HG SER 4 59.642 15.093 2.097 24 H ILE 5 HN ILE 5 60.346 14.938 -2.982 25 HA ILE 5 HA ILE 5 59.664 17.706 -2.624 26 HB ILE 5 HB ILE 5 58.666 15.911 -4.877 27 HG12 ILE 5 HG12 ILE 5 61.367 17.314 -4.588 28 HG13 ILE 5 HG11 ILE 5 61.106 15.556 -4.516 29 HG21 ILE 5 HG21 ILE 5 57.859 18.341 -4.607 30 HG22 ILE 5 HG22 ILE 5 58.618 17.939 -6.163 31 HG23 ILE 5 HG23 ILE 5 59.538 18.832 -4.927 32 HD11 ILE 5 HD1 ILE 5 60.000 15.828 -6.863 33 HD12 ILE 5 HD2 ILE 5 61.772 15.936 -6.759 34 HD13 ILE 5 HD3 ILE 5 60.799 17.419 -6.893 35 H PHE 6 HN PHE 6 58.263 17.506 -0.725 36 HA PHE 6 HA PHE 6 56.173 17.406 0.284 37 HB2 PHE 6 HB2 PHE 6 55.376 18.151 -2.555 38 HB3 PHE 6 HB1 PHE 6 54.281 18.221 -1.154 39 HD1 PHE 6 HD1 PHE 6 57.189 19.757 -2.821 40 HD2 PHE 6 HD2 PHE 6 54.691 19.820 0.696 41 HE1 PHE 6 HE1 PHE 6 58.109 21.991 -2.209 42 HE2 PHE 6 HE2 PHE 6 55.609 22.054 1.309 43 HZ PHE 6 HZ PHE 6 57.266 23.169 -0.182 44 H LYS 7 HN LYS 7 57.254 14.973 -1.376 45 HA LYS 7 HA LYS 7 54.906 13.547 -2.255 46 HB2 LYS 7 HB2 LYS 7 57.262 13.000 -2.920 47 HB3 LYS 7 HB1 LYS 7 57.547 12.400 -1.268 48 HG2 LYS 7 HG2 LYS 7 55.801 10.714 -1.521 49 HG3 LYS 7 HG1 LYS 7 55.351 11.368 -3.115 50 HD2 LYS 7 HD2 LYS 7 57.716 10.879 -3.889 51 HD3 LYS 7 HD1 LYS 7 57.980 10.033 -2.344 52 HE2 LYS 7 HE2 LYS 7 57.335 8.367 -3.979 53 HE3 LYS 7 HE1 LYS 7 55.951 8.604 -2.885 54 HZ1 LYS 7 HZ1 LYS 7 56.072 8.982 -5.675 55 HZ2 LYS 7 HZ2 LYS 7 55.739 10.478 -4.943 56 HZ3 LYS 7 HZ3 LYS 7 54.736 9.141 -4.641 57 H HIS 8 HN HIS 8 56.657 13.766 0.830 58 HA HIS 8 HA HIS 8 54.990 11.702 2.095 59 HB2 HIS 8 HB2 HIS 8 56.882 13.727 3.352 60 HB3 HIS 8 HB1 HIS 8 56.237 12.253 4.114 61 HD1 HIS 8 HD1 HIS 8 56.670 11.063 0.873 62 HD2 HIS 8 HD2 HIS 8 59.407 12.104 3.892 63 HE1 HIS 8 HE1 HIS 8 58.885 9.917 0.321 64 H GLY 9 HN GLY 9 53.130 13.286 1.093 65 HA2 GLY 9 HA1 GLY 9 51.585 14.095 3.291 66 HA3 GLY 9 HA2 GLY 9 52.437 15.550 2.740 67 H ARG 10 HN ARG 10 52.232 13.812 0.012 68 HA ARG 10 HA ARG 10 49.592 15.048 -0.758 69 HB2 ARG 10 HB2 ARG 10 52.124 14.503 -2.337 70 HB3 ARG 10 HB1 ARG 10 50.575 14.947 -3.093 71 HG2 ARG 10 HG2 ARG 10 50.513 17.042 -1.813 72 HG3 ARG 10 HG1 ARG 10 52.017 16.597 -0.969 73 HD2 ARG 10 HD2 ARG 10 52.387 18.179 -2.892 74 HD3 ARG 10 HD1 ARG 10 53.265 16.640 -3.068 75 HE ARG 10 HE ARG 10 50.824 16.236 -4.376 76 HH11 ARG 10 HH11 ARG 10 52.032 15.793 -6.524 77 HH12 ARG 10 HH12 ARG 10 52.486 17.247 -7.347 78 HH21 ARG 10 HH21 ARG 10 52.020 19.277 -4.574 79 HH22 ARG 10 HH22 ARG 10 52.482 19.221 -6.243 80 H HIS 11 HN HIS 11 50.884 13.142 -3.127 81 HA HIS 11 HA HIS 11 48.808 11.092 -2.779 82 HB2 HIS 11 HB2 HIS 11 50.894 11.374 -4.977 83 HB3 HIS 11 HB1 HIS 11 49.415 10.384 -5.019 84 HD1 HIS 11 HD1 HIS 11 50.153 12.856 -6.986 85 HD2 HIS 11 HD2 HIS 11 47.455 12.886 -3.759 86 HE1 HIS 11 HE1 HIS 11 48.523 14.786 -7.372 87 H ALA 12 HN ALA 12 49.084 9.027 -2.532 88 HA ALA 12 HA ALA 12 50.011 7.041 -1.856 89 HB1 ALA 12 HB1 ALA 12 52.317 6.690 -2.129 90 HB2 ALA 12 HB2 ALA 12 52.573 8.428 -1.955 91 HB3 ALA 12 HB3 ALA 12 51.850 7.799 -3.439 92 H ALA 13 HN ALA 13 51.321 10.127 -0.741 93 HA ALA 13 HA ALA 13 51.944 9.145 1.944 94 HB1 ALA 13 HB1 ALA 13 51.205 11.616 2.477 95 HB2 ALA 13 HB2 ALA 13 51.193 11.847 0.711 96 HB3 ALA 13 HB3 ALA 13 52.705 11.411 1.543 97 H LYS 14 HN LYS 14 49.975 8.949 -0.547 98 HA LYS 14 HA LYS 14 47.327 8.754 1.121 99 HB2 LYS 14 HB2 LYS 14 47.676 10.263 -0.995 100 HB3 LYS 14 HB1 LYS 14 47.797 8.699 -1.882 101 HG2 LYS 14 HG2 LYS 14 45.499 8.353 -1.760 102 HG3 LYS 14 HG1 LYS 14 45.368 8.977 -0.101 103 HD2 LYS 14 HD2 LYS 14 45.385 11.274 -0.906 104 HD3 LYS 14 HD1 LYS 14 45.730 10.734 -2.567 105 HE2 LYS 14 HE2 LYS 14 43.566 9.492 -2.589 106 HE3 LYS 14 HE1 LYS 14 43.214 10.111 -0.958 107 HZ1 LYS 14 HZ1 LYS 14 43.926 12.307 -2.482 108 HZ2 LYS 14 HZ2 LYS 14 42.370 11.897 -1.935 109 HZ3 LYS 14 HZ3 LYS 14 42.893 11.396 -3.472 110 H HIS 15 HN HIS 15 45.857 7.260 -0.464 111 HA HIS 15 HA HIS 15 45.300 4.993 -0.606 112 HB2 HIS 15 HB2 HIS 15 46.104 5.765 -2.857 113 HB3 HIS 15 HB1 HIS 15 47.702 5.089 -2.466 114 HD1 HIS 15 HD1 HIS 15 48.050 2.729 -3.179 115 HD2 HIS 15 HD2 HIS 15 43.979 3.625 -2.625 116 HE1 HIS 15 HE1 HIS 15 46.721 0.632 -3.779 117 H ILE 16 HN ILE 16 47.566 5.690 1.365 118 HA ILE 16 HA ILE 16 47.929 3.256 2.437 119 HB ILE 16 HB ILE 16 49.242 2.352 0.675 120 HG12 ILE 16 HG12 ILE 16 51.467 3.391 2.462 121 HG13 ILE 16 HG11 ILE 16 50.232 2.311 3.141 122 HG21 ILE 16 HG21 ILE 16 49.725 4.368 -0.632 123 HG22 ILE 16 HG22 ILE 16 51.287 3.659 -0.180 124 HG23 ILE 16 HG23 ILE 16 50.664 5.046 0.711 125 HD11 ILE 16 HD1 ILE 16 52.097 0.947 2.404 126 HD12 ILE 16 HD2 ILE 16 52.099 1.713 0.800 127 HD13 ILE 16 HD3 ILE 16 50.746 0.664 1.285 128 H GLY 17 HN GLY 17 49.440 6.110 1.695 129 HA2 GLY 17 HA1 GLY 17 50.561 6.416 4.400 130 HA3 GLY 17 HA2 GLY 17 50.519 7.656 3.131 131 H HIS 18 HN HIS 18 47.619 6.548 2.674 132 HA HIS 18 HA HIS 18 46.348 8.453 4.634 133 HB2 HIS 18 HB2 HIS 18 45.656 7.332 1.945 134 HB3 HIS 18 HB1 HIS 18 44.279 7.494 3.051 135 HD1 HIS 18 HD1 HIS 18 47.170 9.912 3.296 136 HD2 HIS 18 HD2 HIS 18 43.306 9.781 1.634 137 HE1 HIS 18 HE1 HIS 18 46.544 12.299 2.633 138 H ALA 19 HN ALA 19 46.098 5.009 3.520 139 HA ALA 19 HA ALA 19 45.755 3.891 6.074 140 HB1 ALA 19 HB1 ALA 19 43.764 5.000 6.638 141 HB2 ALA 19 HB2 ALA 19 43.129 3.518 5.897 142 HB3 ALA 19 HB3 ALA 19 43.184 5.029 4.956 143 H ALA 20 HN ALA 20 46.212 3.678 2.927 144 HA ALA 20 HA ALA 20 46.220 1.928 1.397 145 HB1 ALA 20 HB1 ALA 20 47.271 0.789 3.430 146 HB2 ALA 20 HB2 ALA 20 46.517 -0.288 2.231 147 HB3 ALA 20 HB3 ALA 20 45.667 0.088 3.749 148 H VAL 21 HN VAL 21 43.692 3.132 2.804 149 HA VAL 21 HA VAL 21 41.740 1.552 1.203 150 HB VAL 21 HB VAL 21 41.389 2.205 4.167 151 HG11 VAL 21 HG11 VAL 21 39.508 1.154 2.020 152 HG12 VAL 21 HG12 VAL 21 39.237 2.457 3.201 153 HG13 VAL 21 HG13 VAL 21 39.238 0.766 3.735 154 HG21 VAL 21 HG21 VAL 21 42.821 0.251 3.866 155 HG22 VAL 21 HG22 VAL 21 41.704 -0.434 2.661 156 HG23 VAL 21 HG23 VAL 21 41.214 -0.313 4.368 157 H ASN 22 HN ASN 22 43.143 4.342 2.361 158 HA ASN 22 HA ASN 22 42.747 6.518 1.488 159 HB2 ASN 22 HB2 ASN 22 39.767 5.942 1.369 160 HB3 ASN 22 HB1 ASN 22 40.661 7.290 0.638 161 HD21 ASN 22 HD21 ASN 22 42.919 5.264 -0.081 162 HD22 ASN 22 HD22 ASN 22 42.294 4.479 -1.534 163 H HIS 23 HN HIS 23 40.611 4.897 3.772 164 HA HIS 23 HA HIS 23 41.231 6.924 5.810 165 HB2 HIS 23 HB2 HIS 23 38.407 6.620 4.714 166 HB3 HIS 23 HB1 HIS 23 38.796 7.404 6.264 167 HD1 HIS 23 HD1 HIS 23 40.593 9.476 6.073 168 HD2 HIS 23 HD2 HIS 23 38.541 8.364 2.575 169 HE1 HIS 23 HE1 HIS 23 40.836 11.395 4.404 170 H TYR 24 HN TYR 24 41.969 5.402 7.201 171 HA TYR 24 HA TYR 24 40.921 2.801 7.555 172 HB2 TYR 24 HB2 TYR 24 43.083 3.588 8.484 173 HB3 TYR 24 HB1 TYR 24 42.202 4.596 9.656 174 HD1 TYR 24 HD1 TYR 24 41.277 3.642 11.656 175 HD2 TYR 24 HD2 TYR 24 42.745 1.070 8.516 176 HE1 TYR 24 HE1 TYR 24 41.051 1.673 13.164 177 HE2 TYR 24 HE2 TYR 24 42.518 -0.901 10.026 178 HH TYR 24 HH TYR 24 42.429 -1.436 12.289 179 H LEU 25 HN LEU 25 39.534 5.832 8.339 180 HA LEU 25 HA LEU 25 38.015 5.092 10.666 181 HB2 LEU 25 HB2 LEU 25 37.693 7.190 8.497 182 HB3 LEU 25 HB1 LEU 25 36.463 6.993 9.767 183 HG LEU 25 HG LEU 25 38.153 7.370 11.509 184 HD11 LEU 25 HD11 LEU 25 40.466 8.195 10.686 185 HD12 LEU 25 HD12 LEU 25 40.045 7.449 9.126 186 HD13 LEU 25 HD13 LEU 25 40.155 6.447 10.593 187 HD21 LEU 25 HD21 LEU 25 36.998 9.324 10.490 188 HD22 LEU 25 HD22 LEU 25 38.303 9.460 9.288 189 HD23 LEU 25 HD23 LEU 25 38.647 9.742 11.012 Start of MODEL 35 1 H1 GLY 1 HT1 GLY 1 58.908 20.786 5.931 2 H2 GLY 1 HT2 GLY 1 59.643 20.576 4.411 3 H3 GLY 1 HT3 GLY 1 59.276 22.136 4.975 4 HA2 GLY 1 HA1 GLY 1 61.540 21.903 5.261 5 HA3 GLY 1 HA2 GLY 1 60.795 21.718 6.861 6 H TRP 2 HN TRP 2 61.732 19.773 3.995 7 HA TRP 2 HA TRP 2 63.230 17.924 5.727 8 HB2 TRP 2 HB2 TRP 2 60.729 16.999 4.254 9 HB3 TRP 2 HB1 TRP 2 61.949 15.915 4.966 10 HD1 TRP 2 HD1 TRP 2 62.201 15.935 7.636 11 HE1 TRP 2 HE1 TRP 2 60.541 16.556 9.538 12 HE3 TRP 2 HE3 TRP 2 58.771 18.559 4.887 13 HZ2 TRP 2 HZ2 TRP 2 58.063 18.001 9.797 14 HZ3 TRP 2 HZ3 TRP 2 56.766 19.550 5.983 15 HH2 TRP 2 HH2 TRP 2 56.410 19.273 8.433 16 H GLY 3 HN GLY 3 61.587 17.243 2.644 17 HA2 GLY 3 HA1 GLY 3 63.733 18.037 0.936 18 HA3 GLY 3 HA2 GLY 3 63.949 16.328 1.363 19 H SER 4 HN SER 4 60.853 16.286 1.652 20 HA SER 4 HA SER 4 60.398 15.303 -1.066 21 HB2 SER 4 HB2 SER 4 58.139 14.780 -0.225 22 HB3 SER 4 HB1 SER 4 59.389 14.206 0.899 23 HG SER 4 HG SER 4 57.417 16.039 1.269 24 H ILE 5 HN ILE 5 59.830 16.488 -2.757 25 HA ILE 5 HA ILE 5 59.072 19.274 -2.456 26 HB ILE 5 HB ILE 5 58.719 17.575 -4.961 27 HG12 ILE 5 HG12 ILE 5 61.231 18.925 -3.869 28 HG13 ILE 5 HG11 ILE 5 60.979 17.176 -4.075 29 HG21 ILE 5 HG21 ILE 5 59.537 20.496 -4.673 30 HG22 ILE 5 HG22 ILE 5 57.834 19.990 -4.783 31 HG23 ILE 5 HG23 ILE 5 58.950 19.655 -6.127 32 HD11 ILE 5 HD1 ILE 5 60.535 17.734 -6.581 33 HD12 ILE 5 HD2 ILE 5 62.216 17.810 -6.000 34 HD13 ILE 5 HD3 ILE 5 61.284 19.309 -6.215 35 H PHE 6 HN PHE 6 57.331 16.290 -3.411 36 HA PHE 6 HA PHE 6 54.841 17.348 -2.298 37 HB2 PHE 6 HB2 PHE 6 53.561 17.308 -4.403 38 HB3 PHE 6 HB1 PHE 6 54.859 18.524 -4.469 39 HD1 PHE 6 HD1 PHE 6 56.691 18.316 -6.026 40 HD2 PHE 6 HD2 PHE 6 53.859 15.093 -5.554 41 HE1 PHE 6 HE1 PHE 6 57.630 17.194 -8.044 42 HE2 PHE 6 HE2 PHE 6 54.799 13.973 -7.571 43 HZ PHE 6 HZ PHE 6 56.644 15.054 -8.850 44 H LYS 7 HN LYS 7 56.930 14.920 -3.185 45 HA LYS 7 HA LYS 7 55.107 12.796 -3.849 46 HB2 LYS 7 HB2 LYS 7 57.651 12.827 -4.133 47 HB3 LYS 7 HB1 LYS 7 57.758 12.508 -2.390 48 HG2 LYS 7 HG2 LYS 7 57.818 10.322 -3.246 49 HG3 LYS 7 HG1 LYS 7 56.081 10.514 -2.928 50 HD2 LYS 7 HD2 LYS 7 55.662 11.040 -5.285 51 HD3 LYS 7 HD1 LYS 7 57.408 11.039 -5.631 52 HE2 LYS 7 HE2 LYS 7 57.496 8.636 -4.890 53 HE3 LYS 7 HE1 LYS 7 55.723 8.665 -4.734 54 HZ1 LYS 7 HZ1 LYS 7 56.382 9.731 -7.231 55 HZ2 LYS 7 HZ2 LYS 7 55.582 8.271 -6.894 56 HZ3 LYS 7 HZ3 LYS 7 57.273 8.299 -7.054 57 H HIS 8 HN HIS 8 57.007 13.023 -0.813 58 HA HIS 8 HA HIS 8 54.848 11.585 0.614 59 HB2 HIS 8 HB2 HIS 8 57.473 12.711 1.665 60 HB3 HIS 8 HB1 HIS 8 56.416 11.527 2.469 61 HD1 HIS 8 HD1 HIS 8 59.503 11.173 1.344 62 HD2 HIS 8 HD2 HIS 8 55.965 9.677 -0.363 63 HE1 HIS 8 HE1 HIS 8 60.140 9.147 -0.074 64 H GLY 9 HN GLY 9 55.125 14.653 -0.377 65 HA2 GLY 9 HA1 GLY 9 54.525 16.032 2.161 66 HA3 GLY 9 HA2 GLY 9 54.612 16.750 0.543 67 H ARG 10 HN ARG 10 52.776 14.602 -0.531 68 HA ARG 10 HA ARG 10 50.251 15.010 0.895 69 HB2 ARG 10 HB2 ARG 10 49.165 16.225 -1.035 70 HB3 ARG 10 HB1 ARG 10 50.343 17.196 -0.120 71 HG2 ARG 10 HG2 ARG 10 52.070 16.760 -1.804 72 HG3 ARG 10 HG1 ARG 10 50.963 15.688 -2.697 73 HD2 ARG 10 HD2 ARG 10 50.479 18.651 -2.163 74 HD3 ARG 10 HD1 ARG 10 51.064 17.971 -3.700 75 HE ARG 10 HE ARG 10 48.687 16.591 -3.111 76 HH11 ARG 10 HH11 ARG 10 47.901 19.268 -1.946 77 HH12 ARG 10 HH12 ARG 10 47.192 20.050 -3.320 78 HH21 ARG 10 HH21 ARG 10 48.559 17.841 -5.616 79 HH22 ARG 10 HH22 ARG 10 47.565 19.243 -5.398 80 H HIS 11 HN HIS 11 52.022 12.892 -0.324 81 HA HIS 11 HA HIS 11 49.821 11.364 -1.518 82 HB2 HIS 11 HB2 HIS 11 52.265 12.113 -3.170 83 HB3 HIS 11 HB1 HIS 11 51.190 10.752 -3.567 84 HD1 HIS 11 HD1 HIS 11 48.426 11.793 -3.159 85 HD2 HIS 11 HD2 HIS 11 51.469 14.194 -4.795 86 HE1 HIS 11 HE1 HIS 11 47.292 13.665 -4.478 87 H ALA 12 HN ALA 12 50.017 9.303 -1.501 88 HA ALA 12 HA ALA 12 50.709 7.211 -0.866 89 HB1 ALA 12 HB1 ALA 12 52.918 8.065 -1.788 90 HB2 ALA 12 HB2 ALA 12 52.989 6.792 -0.543 91 HB3 ALA 12 HB3 ALA 12 53.216 8.489 -0.111 92 H ALA 13 HN ALA 13 51.689 10.084 0.933 93 HA ALA 13 HA ALA 13 51.558 8.750 3.538 94 HB1 ALA 13 HB1 ALA 13 52.451 11.116 3.322 95 HB2 ALA 13 HB2 ALA 13 50.998 11.055 4.349 96 HB3 ALA 13 HB3 ALA 13 50.876 11.622 2.667 97 H LYS 14 HN LYS 14 50.317 8.880 0.615 98 HA LYS 14 HA LYS 14 47.326 8.642 1.490 99 HB2 LYS 14 HB2 LYS 14 48.245 10.381 -0.233 100 HB3 LYS 14 HB1 LYS 14 48.586 8.941 -1.258 101 HG2 LYS 14 HG2 LYS 14 46.336 8.670 -1.792 102 HG3 LYS 14 HG1 LYS 14 45.769 9.128 -0.169 103 HD2 LYS 14 HD2 LYS 14 46.078 11.497 -0.682 104 HD3 LYS 14 HD1 LYS 14 46.818 11.095 -2.251 105 HE2 LYS 14 HE2 LYS 14 44.707 10.033 -2.984 106 HE3 LYS 14 HE1 LYS 14 43.963 10.420 -1.414 107 HZ1 LYS 14 HZ1 LYS 14 44.212 12.741 -1.855 108 HZ2 LYS 14 HZ2 LYS 14 43.453 12.038 -3.202 109 HZ3 LYS 14 HZ3 LYS 14 45.101 12.449 -3.270 110 H HIS 15 HN HIS 15 46.319 7.427 -0.605 111 HA HIS 15 HA HIS 15 45.793 5.211 -1.169 112 HB2 HIS 15 HB2 HIS 15 47.140 6.218 -3.027 113 HB3 HIS 15 HB1 HIS 15 48.589 5.450 -2.333 114 HD1 HIS 15 HD1 HIS 15 45.176 4.572 -3.823 115 HD2 HIS 15 HD2 HIS 15 48.883 2.762 -3.007 116 HE1 HIS 15 HE1 HIS 15 45.117 2.226 -4.834 117 H ILE 16 HN ILE 16 47.412 5.556 1.400 118 HA ILE 16 HA ILE 16 47.507 3.006 2.196 119 HB ILE 16 HB ILE 16 49.247 2.267 0.756 120 HG12 ILE 16 HG12 ILE 16 50.972 3.034 3.132 121 HG13 ILE 16 HG11 ILE 16 49.580 1.969 3.398 122 HG21 ILE 16 HG21 ILE 16 50.056 4.408 -0.142 123 HG22 ILE 16 HG22 ILE 16 51.441 3.595 0.607 124 HG23 ILE 16 HG23 ILE 16 50.620 4.896 1.467 125 HD11 ILE 16 HD1 ILE 16 51.567 0.608 2.988 126 HD12 ILE 16 HD2 ILE 16 51.891 1.469 1.466 127 HD13 ILE 16 HD3 ILE 16 50.451 0.433 1.615 128 H GLY 17 HN GLY 17 49.216 5.845 2.245 129 HA2 GLY 17 HA1 GLY 17 49.568 5.799 5.163 130 HA3 GLY 17 HA2 GLY 17 49.875 7.177 4.085 131 H HIS 18 HN HIS 18 47.180 6.254 2.768 132 HA HIS 18 HA HIS 18 45.482 8.003 4.531 133 HB2 HIS 18 HB2 HIS 18 45.497 7.195 1.654 134 HB3 HIS 18 HB1 HIS 18 43.878 7.269 2.373 135 HD1 HIS 18 HD1 HIS 18 46.640 9.573 3.567 136 HD2 HIS 18 HD2 HIS 18 43.296 9.720 1.020 137 HE1 HIS 18 HE1 HIS 18 46.189 12.033 3.044 138 H ALA 19 HN ALA 19 45.548 4.652 3.134 139 HA ALA 19 HA ALA 19 44.141 3.652 5.490 140 HB1 ALA 19 HB1 ALA 19 42.304 4.872 4.214 141 HB2 ALA 19 HB2 ALA 19 42.000 3.157 4.574 142 HB3 ALA 19 HB3 ALA 19 42.508 3.647 2.938 143 H ALA 20 HN ALA 20 46.502 2.878 4.093 144 HA ALA 20 HA ALA 20 47.489 0.905 3.390 145 HB1 ALA 20 HB1 ALA 20 44.864 -0.576 3.620 146 HB2 ALA 20 HB2 ALA 20 45.716 -0.024 5.079 147 HB3 ALA 20 HB3 ALA 20 46.515 -1.146 3.953 148 H VAL 21 HN VAL 21 44.655 2.207 1.883 149 HA VAL 21 HA VAL 21 45.634 1.204 -0.744 150 HB VAL 21 HB VAL 21 42.700 0.911 0.036 151 HG11 VAL 21 HG11 VAL 21 42.623 -0.404 -2.066 152 HG12 VAL 21 HG12 VAL 21 44.355 -0.090 -2.326 153 HG13 VAL 21 HG13 VAL 21 43.190 1.255 -2.369 154 HG21 VAL 21 HG21 VAL 21 43.948 -0.709 1.351 155 HG22 VAL 21 HG22 VAL 21 44.945 -1.152 -0.054 156 HG23 VAL 21 HG23 VAL 21 43.217 -1.570 -0.024 157 H ASN 22 HN ASN 22 43.508 3.238 1.208 158 HA ASN 22 HA ASN 22 43.936 5.705 0.214 159 HB2 ASN 22 HB2 ASN 22 43.603 5.327 -2.096 160 HB3 ASN 22 HB1 ASN 22 42.248 4.209 -1.820 161 HD21 ASN 22 HD21 ASN 22 43.024 7.657 -0.899 162 HD22 ASN 22 HD22 ASN 22 41.455 8.283 -1.416 163 H HIS 23 HN HIS 23 41.217 3.413 0.548 164 HA HIS 23 HA HIS 23 40.208 4.818 2.876 165 HB2 HIS 23 HB2 HIS 23 39.444 6.364 1.056 166 HB3 HIS 23 HB1 HIS 23 38.526 5.013 0.347 167 HD1 HIS 23 HD1 HIS 23 38.484 4.593 3.937 168 HD2 HIS 23 HD2 HIS 23 36.321 6.940 1.197 169 HE1 HIS 23 HE1 HIS 23 36.345 5.358 5.109 170 H TYR 24 HN TYR 24 39.694 3.112 4.074 171 HA TYR 24 HA TYR 24 39.099 0.528 3.072 172 HB2 TYR 24 HB2 TYR 24 38.190 0.083 5.353 173 HB3 TYR 24 HB1 TYR 24 39.773 0.896 5.388 174 HD1 TYR 24 HD1 TYR 24 39.946 3.309 5.941 175 HD2 TYR 24 HD2 TYR 24 36.171 1.224 6.088 176 HE1 TYR 24 HE1 TYR 24 38.964 5.180 7.262 177 HE2 TYR 24 HE2 TYR 24 35.187 3.095 7.408 178 HH TYR 24 HH TYR 24 37.152 5.612 8.767 179 H LEU 25 HN LEU 25 37.261 3.334 2.840 180 HA LEU 25 HA LEU 25 34.989 1.864 1.769 181 HB2 LEU 25 HB2 LEU 25 34.632 1.752 4.298 182 HB3 LEU 25 HB1 LEU 25 34.465 3.520 4.263 183 HG LEU 25 HG LEU 25 32.669 3.058 2.364 184 HD11 LEU 25 HD11 LEU 25 33.020 0.667 2.062 185 HD12 LEU 25 HD12 LEU 25 31.431 0.898 2.820 186 HD13 LEU 25 HD13 LEU 25 32.813 0.367 3.803 187 HD21 LEU 25 HD21 LEU 25 32.125 2.373 5.289 188 HD22 LEU 25 HD22 LEU 25 30.902 2.857 4.091 189 HD23 LEU 25 HD23 LEU 25 32.160 4.011 4.594 Start of MODEL 36 1 H1 GLY 1 HT1 GLY 1 62.624 20.695 4.268 2 H2 GLY 1 HT2 GLY 1 61.343 21.389 5.143 3 H3 GLY 1 HT3 GLY 1 61.113 20.903 3.531 4 HA2 GLY 1 HA1 GLY 1 62.007 18.923 5.455 5 HA3 GLY 1 HA2 GLY 1 60.318 19.463 5.523 6 H TRP 2 HN TRP 2 60.440 16.938 5.030 7 HA TRP 2 HA TRP 2 60.019 15.257 3.486 8 HB2 TRP 2 HB2 TRP 2 58.948 17.475 1.709 9 HB3 TRP 2 HB1 TRP 2 58.413 15.779 1.796 10 HD1 TRP 2 HD1 TRP 2 57.533 19.101 3.042 11 HE1 TRP 2 HE1 TRP 2 55.894 18.985 5.057 12 HE3 TRP 2 HE3 TRP 2 58.004 14.132 4.180 13 HZ2 TRP 2 HZ2 TRP 2 54.937 16.986 6.895 14 HZ3 TRP 2 HZ3 TRP 2 56.718 13.142 6.069 15 HH2 TRP 2 HH2 TRP 2 55.187 14.564 7.427 16 H GLY 3 HN GLY 3 59.850 16.386 0.478 17 HA2 GLY 3 HA1 GLY 3 62.608 16.904 -0.194 18 HA3 GLY 3 HA2 GLY 3 62.209 15.193 -0.452 19 H SER 4 HN SER 4 59.527 17.282 -0.767 20 HA SER 4 HA SER 4 59.936 18.017 -3.553 21 HB2 SER 4 HB2 SER 4 58.104 15.668 -2.929 22 HB3 SER 4 HB1 SER 4 58.150 16.539 -4.478 23 HG SER 4 HG SER 4 60.099 15.718 -4.889 24 H ILE 5 HN ILE 5 57.784 18.767 -4.541 25 HA ILE 5 HA ILE 5 56.595 20.620 -2.664 26 HB ILE 5 HB ILE 5 55.469 19.861 -5.392 27 HG12 ILE 5 HG12 ILE 5 57.739 21.784 -4.696 28 HG13 ILE 5 HG11 ILE 5 57.892 20.270 -5.618 29 HG21 ILE 5 HG21 ILE 5 54.547 22.075 -5.371 30 HG22 ILE 5 HG22 ILE 5 55.546 22.560 -3.980 31 HG23 ILE 5 HG23 ILE 5 54.211 21.406 -3.759 32 HD11 ILE 5 HD1 ILE 5 57.783 21.953 -7.289 33 HD12 ILE 5 HD2 ILE 5 56.510 22.849 -6.430 34 HD13 ILE 5 HD3 ILE 5 56.127 21.306 -7.231 35 H PHE 6 HN PHE 6 55.600 17.522 -4.100 36 HA PHE 6 HA PHE 6 53.759 17.041 -1.909 37 HB2 PHE 6 HB2 PHE 6 51.668 17.024 -3.159 38 HB3 PHE 6 HB1 PHE 6 52.401 18.642 -3.266 39 HD1 PHE 6 HD1 PHE 6 53.100 19.551 -5.385 40 HD2 PHE 6 HD2 PHE 6 51.916 15.410 -5.086 41 HE1 PHE 6 HE1 PHE 6 53.097 19.372 -7.871 42 HE2 PHE 6 HE2 PHE 6 51.914 15.232 -7.571 43 HZ PHE 6 HZ PHE 6 52.405 17.240 -8.961 44 H LYS 7 HN LYS 7 55.565 16.204 -4.651 45 HA LYS 7 HA LYS 7 54.376 13.643 -5.261 46 HB2 LYS 7 HB2 LYS 7 57.265 14.526 -5.617 47 HB3 LYS 7 HB1 LYS 7 56.435 13.210 -6.481 48 HG2 LYS 7 HG2 LYS 7 54.767 14.964 -7.306 49 HG3 LYS 7 HG1 LYS 7 55.873 16.197 -6.655 50 HD2 LYS 7 HD2 LYS 7 56.542 14.101 -8.769 51 HD3 LYS 7 HD1 LYS 7 56.336 15.847 -9.042 52 HE2 LYS 7 HE2 LYS 7 58.679 15.631 -8.887 53 HE3 LYS 7 HE1 LYS 7 58.238 16.092 -7.225 54 HZ1 LYS 7 HZ1 LYS 7 58.003 13.319 -7.421 55 HZ2 LYS 7 HZ2 LYS 7 59.151 14.209 -6.540 56 HZ3 LYS 7 HZ3 LYS 7 59.485 13.731 -8.136 57 H HIS 8 HN HIS 8 56.110 14.806 -2.578 58 HA HIS 8 HA HIS 8 56.307 12.062 -1.477 59 HB2 HIS 8 HB2 HIS 8 58.501 12.525 -2.685 60 HB3 HIS 8 HB1 HIS 8 58.768 13.853 -1.532 61 HD1 HIS 8 HD1 HIS 8 58.509 10.072 -1.756 62 HD2 HIS 8 HD2 HIS 8 59.515 13.028 1.062 63 HE1 HIS 8 HE1 HIS 8 59.478 8.880 0.285 64 H GLY 9 HN GLY 9 54.629 14.284 -0.929 65 HA2 GLY 9 HA1 GLY 9 55.297 14.653 1.932 66 HA3 GLY 9 HA2 GLY 9 55.180 16.133 0.956 67 H ARG 10 HN ARG 10 53.189 13.914 -0.464 68 HA ARG 10 HA ARG 10 50.862 14.318 1.336 69 HB2 ARG 10 HB2 ARG 10 50.978 15.429 -1.499 70 HB3 ARG 10 HB1 ARG 10 49.496 15.279 -0.525 71 HG2 ARG 10 HG2 ARG 10 50.678 16.679 1.265 72 HG3 ARG 10 HG1 ARG 10 51.939 17.002 0.050 73 HD2 ARG 10 HD2 ARG 10 50.294 18.821 0.020 74 HD3 ARG 10 HD1 ARG 10 50.176 17.890 -1.493 75 HE ARG 10 HE ARG 10 48.323 16.711 0.249 76 HH11 ARG 10 HH11 ARG 10 48.527 19.077 -2.092 77 HH12 ARG 10 HH12 ARG 10 47.071 19.903 -1.650 78 HH21 ARG 10 HH21 ARG 10 46.615 18.094 1.272 79 HH22 ARG 10 HH22 ARG 10 45.988 19.346 0.254 80 H HIS 11 HN HIS 11 52.717 12.493 -0.693 81 HA HIS 11 HA HIS 11 50.410 10.691 -1.435 82 HB2 HIS 11 HB2 HIS 11 51.831 11.634 -3.338 83 HB3 HIS 11 HB1 HIS 11 53.199 10.721 -2.660 84 HD1 HIS 11 HD1 HIS 11 52.691 8.026 -2.313 85 HD2 HIS 11 HD2 HIS 11 50.338 10.120 -5.097 86 HE1 HIS 11 HE1 HIS 11 51.567 6.293 -3.817 87 H ALA 12 HN ALA 12 50.449 8.663 -1.121 88 HA ALA 12 HA ALA 12 50.844 6.659 -0.103 89 HB1 ALA 12 HB1 ALA 12 53.302 7.862 0.891 90 HB2 ALA 12 HB2 ALA 12 53.227 7.203 -0.744 91 HB3 ALA 12 HB3 ALA 12 52.995 6.152 0.673 92 H ALA 13 HN ALA 13 51.710 9.709 1.410 93 HA ALA 13 HA ALA 13 51.051 8.806 4.117 94 HB1 ALA 13 HB1 ALA 13 50.280 11.342 4.190 95 HB2 ALA 13 HB2 ALA 13 51.131 11.479 2.631 96 HB3 ALA 13 HB3 ALA 13 52.027 11.012 4.097 97 H LYS 14 HN LYS 14 50.346 8.493 1.042 98 HA LYS 14 HA LYS 14 47.240 8.516 1.401 99 HB2 LYS 14 HB2 LYS 14 48.534 10.007 -0.319 100 HB3 LYS 14 HB1 LYS 14 48.975 8.441 -1.097 101 HG2 LYS 14 HG2 LYS 14 46.852 8.214 -2.024 102 HG3 LYS 14 HG1 LYS 14 46.021 8.794 -0.563 103 HD2 LYS 14 HD2 LYS 14 46.574 11.130 -1.175 104 HD3 LYS 14 HD1 LYS 14 47.420 10.550 -2.630 105 HE2 LYS 14 HE2 LYS 14 45.370 9.652 -3.553 106 HE3 LYS 14 HE1 LYS 14 44.493 9.956 -2.037 107 HZ1 LYS 14 HZ1 LYS 14 45.271 12.385 -2.463 108 HZ2 LYS 14 HZ2 LYS 14 43.918 11.774 -3.288 109 HZ3 LYS 14 HZ3 LYS 14 45.421 11.872 -4.073 110 H HIS 15 HN HIS 15 46.565 7.066 -0.738 111 HA HIS 15 HA HIS 15 46.063 4.813 -1.129 112 HB2 HIS 15 HB2 HIS 15 49.020 5.090 -1.761 113 HB3 HIS 15 HB1 HIS 15 48.018 3.710 -2.275 114 HD1 HIS 15 HD1 HIS 15 45.569 6.128 -2.458 115 HD2 HIS 15 HD2 HIS 15 49.025 5.468 -4.760 116 HE1 HIS 15 HE1 HIS 15 45.245 7.342 -4.683 117 H ILE 16 HN ILE 16 47.042 5.432 1.680 118 HA ILE 16 HA ILE 16 46.879 3.034 2.829 119 HB ILE 16 HB ILE 16 48.839 2.070 1.784 120 HG12 ILE 16 HG12 ILE 16 49.781 3.033 4.519 121 HG13 ILE 16 HG11 ILE 16 48.593 1.734 4.286 122 HG21 ILE 16 HG21 ILE 16 49.986 4.049 0.913 123 HG22 ILE 16 HG22 ILE 16 51.101 3.299 2.072 124 HG23 ILE 16 HG23 ILE 16 50.152 4.708 2.555 125 HD11 ILE 16 HD1 ILE 16 50.540 0.456 4.422 126 HD12 ILE 16 HD2 ILE 16 51.560 1.734 3.730 127 HD13 ILE 16 HD3 ILE 16 50.524 0.751 2.670 128 H GLY 17 HN GLY 17 48.488 5.925 2.725 129 HA2 GLY 17 HA1 GLY 17 48.391 6.227 5.674 130 HA3 GLY 17 HA2 GLY 17 48.965 7.432 4.509 131 H HIS 18 HN HIS 18 46.522 6.330 2.839 132 HA HIS 18 HA HIS 18 44.581 8.345 3.979 133 HB2 HIS 18 HB2 HIS 18 45.011 8.525 1.580 134 HB3 HIS 18 HB1 HIS 18 44.582 6.820 1.337 135 HD1 HIS 18 HD1 HIS 18 42.446 8.419 3.862 136 HD2 HIS 18 HD2 HIS 18 42.470 8.172 -0.335 137 HE1 HIS 18 HE1 HIS 18 40.105 9.040 3.049 138 H ALA 19 HN ALA 19 44.924 4.819 3.245 139 HA ALA 19 HA ALA 19 42.598 4.405 5.111 140 HB1 ALA 19 HB1 ALA 19 41.557 4.584 2.899 141 HB2 ALA 19 HB2 ALA 19 41.416 2.939 3.559 142 HB3 ALA 19 HB3 ALA 19 42.614 3.289 2.293 143 H ALA 20 HN ALA 20 45.552 3.804 5.052 144 HA ALA 20 HA ALA 20 46.876 2.065 5.829 145 HB1 ALA 20 HB1 ALA 20 44.812 1.839 7.354 146 HB2 ALA 20 HB2 ALA 20 45.910 0.444 7.232 147 HB3 ALA 20 HB3 ALA 20 44.372 0.448 6.338 148 H VAL 21 HN VAL 21 44.769 1.701 3.176 149 HA VAL 21 HA VAL 21 46.493 -0.465 2.100 150 HB VAL 21 HB VAL 21 43.456 -0.767 2.244 151 HG11 VAL 21 HG11 VAL 21 45.682 -2.414 0.970 152 HG12 VAL 21 HG12 VAL 21 44.271 -1.683 0.167 153 HG13 VAL 21 HG13 VAL 21 44.052 -3.060 1.269 154 HG21 VAL 21 HG21 VAL 21 45.749 -2.184 3.676 155 HG22 VAL 21 HG22 VAL 21 44.098 -2.842 3.594 156 HG23 VAL 21 HG23 VAL 21 44.394 -1.294 4.412 157 H ASN 22 HN ASN 22 44.099 2.102 1.714 158 HA ASN 22 HA ASN 22 45.096 2.686 -0.936 159 HB2 ASN 22 HB2 ASN 22 43.814 0.720 -1.591 160 HB3 ASN 22 HB1 ASN 22 42.372 1.342 -0.760 161 HD21 ASN 22 HD21 ASN 22 41.382 1.136 -3.029 162 HD22 ASN 22 HD22 ASN 22 41.627 2.489 -4.139 163 H HIS 23 HN HIS 23 41.650 2.947 -0.363 164 HA HIS 23 HA HIS 23 41.895 5.646 0.831 165 HB2 HIS 23 HB2 HIS 23 40.621 6.725 -0.994 166 HB3 HIS 23 HB1 HIS 23 42.191 6.110 -1.564 167 HD1 HIS 23 HD1 HIS 23 40.387 6.419 -3.829 168 HD2 HIS 23 HD2 HIS 23 40.134 3.014 -1.370 169 HE1 HIS 23 HE1 HIS 23 39.213 4.592 -5.174 170 H TYR 24 HN TYR 24 40.726 2.982 1.489 171 HA TYR 24 HA TYR 24 37.825 3.310 1.229 172 HB2 TYR 24 HB2 TYR 24 39.516 1.440 2.937 173 HB3 TYR 24 HB1 TYR 24 37.748 1.342 2.754 174 HD1 TYR 24 HD1 TYR 24 36.769 1.035 0.413 175 HD2 TYR 24 HD2 TYR 24 40.965 0.507 1.276 176 HE1 TYR 24 HE1 TYR 24 37.044 -0.246 -1.706 177 HE2 TYR 24 HE2 TYR 24 41.239 -0.776 -0.841 178 HH TYR 24 HH TYR 24 40.152 -0.805 -3.034 179 H LEU 25 HN LEU 25 39.646 5.365 2.629 180 HA LEU 25 HA LEU 25 39.490 6.761 4.464 181 HB2 LEU 25 HB2 LEU 25 37.014 6.595 3.516 182 HB3 LEU 25 HB1 LEU 25 36.697 5.732 5.036 183 HG LEU 25 HG LEU 25 37.875 8.536 4.752 184 HD11 LEU 25 HD11 LEU 25 35.779 9.298 5.681 185 HD12 LEU 25 HD12 LEU 25 35.251 7.630 6.010 186 HD13 LEU 25 HD13 LEU 25 35.385 8.208 4.331 187 HD21 LEU 25 HD21 LEU 25 38.900 7.595 6.693 188 HD22 LEU 25 HD22 LEU 25 37.420 6.721 7.156 189 HD23 LEU 25 HD23 LEU 25 37.499 8.491 7.322 Start of MODEL 37 1 H1 GLY 1 HT1 GLY 1 68.152 13.346 -3.543 2 H2 GLY 1 HT2 GLY 1 68.394 12.475 -4.983 3 H3 GLY 1 HT3 GLY 1 68.435 11.676 -3.484 4 HA2 GLY 1 HA1 GLY 1 66.395 11.169 -4.447 5 HA3 GLY 1 HA2 GLY 1 66.112 12.327 -3.132 6 H TRP 2 HN TRP 2 64.628 13.777 -3.626 7 HA TRP 2 HA TRP 2 64.849 15.293 -6.148 8 HB2 TRP 2 HB2 TRP 2 62.311 13.715 -5.563 9 HB3 TRP 2 HB1 TRP 2 62.616 14.781 -6.955 10 HD1 TRP 2 HD1 TRP 2 63.370 11.325 -5.585 11 HE1 TRP 2 HE1 TRP 2 64.562 9.888 -7.394 12 HE3 TRP 2 HE3 TRP 2 64.239 14.973 -9.070 13 HZ2 TRP 2 HZ2 TRP 2 65.727 10.299 -9.995 14 HZ3 TRP 2 HZ3 TRP 2 65.393 14.427 -11.209 15 HH2 TRP 2 HH2 TRP 2 66.136 12.096 -11.674 16 H GLY 3 HN GLY 3 64.286 15.050 -2.916 17 HA2 GLY 3 HA1 GLY 3 63.701 16.727 -1.410 18 HA3 GLY 3 HA2 GLY 3 63.292 17.791 -2.770 19 H SER 4 HN SER 4 61.661 15.119 -3.547 20 HA SER 4 HA SER 4 59.377 14.673 -3.533 21 HB2 SER 4 HB2 SER 4 58.432 14.211 -1.329 22 HB3 SER 4 HB1 SER 4 60.115 13.641 -1.387 23 HG SER 4 HG SER 4 59.173 15.151 0.421 24 H ILE 5 HN ILE 5 59.392 16.962 -4.604 25 HA ILE 5 HA ILE 5 58.409 19.208 -3.131 26 HB ILE 5 HB ILE 5 57.674 20.078 -5.356 27 HG12 ILE 5 HG12 ILE 5 58.475 17.272 -6.262 28 HG13 ILE 5 HG11 ILE 5 56.849 17.988 -6.339 29 HG21 ILE 5 HG21 ILE 5 60.108 20.092 -4.522 30 HG22 ILE 5 HG22 ILE 5 59.882 20.265 -6.278 31 HG23 ILE 5 HG23 ILE 5 60.379 18.698 -5.595 32 HD11 ILE 5 HD1 ILE 5 57.954 19.848 -7.793 33 HD12 ILE 5 HD2 ILE 5 57.693 18.254 -8.541 34 HD13 ILE 5 HD3 ILE 5 59.312 18.710 -7.961 35 H PHE 6 HN PHE 6 56.887 16.275 -4.120 36 HA PHE 6 HA PHE 6 54.409 17.068 -2.833 37 HB2 PHE 6 HB2 PHE 6 52.932 17.262 -4.640 38 HB3 PHE 6 HB1 PHE 6 54.366 18.126 -5.229 39 HD1 PHE 6 HD1 PHE 6 51.952 16.456 -6.652 40 HD2 PHE 6 HD2 PHE 6 56.152 15.754 -5.921 41 HE1 PHE 6 HE1 PHE 6 52.047 14.936 -8.620 42 HE2 PHE 6 HE2 PHE 6 56.240 14.236 -7.884 43 HZ PHE 6 HZ PHE 6 54.207 13.887 -9.280 44 H LYS 7 HN LYS 7 56.569 14.844 -4.250 45 HA LYS 7 HA LYS 7 54.998 12.531 -4.598 46 HB2 LYS 7 HB2 LYS 7 57.814 12.820 -3.480 47 HB3 LYS 7 HB1 LYS 7 57.084 11.276 -3.981 48 HG2 LYS 7 HG2 LYS 7 56.742 12.171 -6.264 49 HG3 LYS 7 HG1 LYS 7 57.462 13.720 -5.767 50 HD2 LYS 7 HD2 LYS 7 59.595 12.625 -5.280 51 HD3 LYS 7 HD1 LYS 7 58.890 11.029 -5.636 52 HE2 LYS 7 HE2 LYS 7 60.106 11.731 -7.605 53 HE3 LYS 7 HE1 LYS 7 58.371 11.884 -7.972 54 HZ1 LYS 7 HZ1 LYS 7 60.373 13.898 -7.913 55 HZ2 LYS 7 HZ2 LYS 7 59.134 14.278 -6.815 56 HZ3 LYS 7 HZ3 LYS 7 58.769 14.000 -8.451 57 H HIS 8 HN HIS 8 57.149 12.631 -1.781 58 HA HIS 8 HA HIS 8 55.139 11.184 -0.192 59 HB2 HIS 8 HB2 HIS 8 57.555 10.649 -0.045 60 HB3 HIS 8 HB1 HIS 8 57.872 12.284 0.582 61 HD1 HIS 8 HD1 HIS 8 58.486 11.801 2.988 62 HD2 HIS 8 HD2 HIS 8 54.938 9.876 1.806 63 HE1 HIS 8 HE1 HIS 8 57.436 10.788 5.085 64 H GLY 9 HN GLY 9 53.683 13.218 -0.615 65 HA2 GLY 9 HA1 GLY 9 53.503 14.578 1.945 66 HA3 GLY 9 HA2 GLY 9 54.049 15.667 0.654 67 H ARG 10 HN ARG 10 52.387 13.706 -1.168 68 HA ARG 10 HA ARG 10 49.638 14.605 -0.426 69 HB2 ARG 10 HB2 ARG 10 51.008 15.296 -3.059 70 HB3 ARG 10 HB1 ARG 10 49.273 15.505 -2.721 71 HG2 ARG 10 HG2 ARG 10 49.927 16.945 -0.734 72 HG3 ARG 10 HG1 ARG 10 51.606 16.876 -1.322 73 HD2 ARG 10 HD2 ARG 10 50.954 17.902 -3.443 74 HD3 ARG 10 HD1 ARG 10 49.240 17.871 -2.967 75 HE ARG 10 HE ARG 10 50.433 19.318 -0.936 76 HH11 ARG 10 HH11 ARG 10 52.173 19.712 -3.609 77 HH12 ARG 10 HH12 ARG 10 51.644 21.311 -4.015 78 HH21 ARG 10 HH21 ARG 10 48.994 21.288 -1.779 79 HH22 ARG 10 HH22 ARG 10 49.844 22.202 -2.979 80 H HIS 11 HN HIS 11 51.665 12.200 -1.210 81 HA HIS 11 HA HIS 11 49.467 10.481 -2.114 82 HB2 HIS 11 HB2 HIS 11 51.887 10.911 -3.915 83 HB3 HIS 11 HB1 HIS 11 50.637 9.667 -4.142 84 HD1 HIS 11 HD1 HIS 11 51.236 13.403 -4.351 85 HD2 HIS 11 HD2 HIS 11 48.139 10.656 -5.095 86 HE1 HIS 11 HE1 HIS 11 49.418 14.639 -5.653 87 H ALA 12 HN ALA 12 49.706 8.458 -1.799 88 HA ALA 12 HA ALA 12 50.468 6.493 -0.906 89 HB1 ALA 12 HB1 ALA 12 52.779 6.143 -0.698 90 HB2 ALA 12 HB2 ALA 12 52.998 7.886 -0.535 91 HB3 ALA 12 HB3 ALA 12 52.579 7.204 -2.110 92 H ALA 13 HN ALA 13 51.528 9.597 0.394 93 HA ALA 13 HA ALA 13 51.612 8.644 3.160 94 HB1 ALA 13 HB1 ALA 13 50.867 11.089 3.577 95 HB2 ALA 13 HB2 ALA 13 51.009 11.343 1.820 96 HB3 ALA 13 HB3 ALA 13 52.449 10.926 2.780 97 H LYS 14 HN LYS 14 50.156 8.365 0.337 98 HA LYS 14 HA LYS 14 47.242 8.222 1.463 99 HB2 LYS 14 HB2 LYS 14 48.006 9.706 -0.554 100 HB3 LYS 14 HB1 LYS 14 48.294 8.135 -1.386 101 HG2 LYS 14 HG2 LYS 14 46.016 7.794 -1.721 102 HG3 LYS 14 HG1 LYS 14 45.561 8.436 -0.127 103 HD2 LYS 14 HD2 LYS 14 45.876 10.747 -0.972 104 HD3 LYS 14 HD1 LYS 14 46.342 10.101 -2.563 105 HE2 LYS 14 HE2 LYS 14 43.680 9.472 -1.223 106 HE3 LYS 14 HE1 LYS 14 43.904 10.820 -2.365 107 HZ1 LYS 14 HZ1 LYS 14 43.423 9.268 -3.891 108 HZ2 LYS 14 HZ2 LYS 14 43.783 7.967 -2.861 109 HZ3 LYS 14 HZ3 LYS 14 45.031 8.770 -3.688 110 H HIS 15 HN HIS 15 46.109 6.705 -0.373 111 HA HIS 15 HA HIS 15 45.588 4.423 -0.570 112 HB2 HIS 15 HB2 HIS 15 48.299 4.461 -1.938 113 HB3 HIS 15 HB1 HIS 15 46.899 3.432 -2.324 114 HD1 HIS 15 HD1 HIS 15 48.511 6.539 -3.296 115 HD2 HIS 15 HD2 HIS 15 44.530 5.195 -3.091 116 HE1 HIS 15 HE1 HIS 15 47.113 8.070 -4.790 117 H ILE 16 HN ILE 16 47.368 5.149 1.806 118 HA ILE 16 HA ILE 16 47.574 2.741 2.948 119 HB ILE 16 HB ILE 16 49.230 1.816 1.519 120 HG12 ILE 16 HG12 ILE 16 51.088 2.972 3.625 121 HG13 ILE 16 HG11 ILE 16 49.758 1.919 4.139 122 HG21 ILE 16 HG21 ILE 16 49.917 3.812 0.253 123 HG22 ILE 16 HG22 ILE 16 51.371 3.130 1.003 124 HG23 ILE 16 HG23 ILE 16 50.594 4.536 1.724 125 HD11 ILE 16 HD1 ILE 16 51.986 1.211 2.180 126 HD12 ILE 16 HD2 ILE 16 50.578 0.174 2.506 127 HD13 ILE 16 HD3 ILE 16 51.731 0.545 3.806 128 H GLY 17 HN GLY 17 49.252 5.558 2.471 129 HA2 GLY 17 HA1 GLY 17 49.788 5.947 5.329 130 HA3 GLY 17 HA2 GLY 17 49.999 7.154 4.046 131 H HIS 18 HN HIS 18 47.229 6.035 3.068 132 HA HIS 18 HA HIS 18 45.636 8.014 4.676 133 HB2 HIS 18 HB2 HIS 18 45.468 6.795 1.955 134 HB3 HIS 18 HB1 HIS 18 43.902 6.930 2.771 135 HD1 HIS 18 HD1 HIS 18 43.142 8.809 1.117 136 HD2 HIS 18 HD2 HIS 18 46.545 9.784 3.388 137 HE1 HIS 18 HE1 HIS 18 43.502 11.330 0.911 138 H ALA 19 HN ALA 19 45.670 4.492 3.801 139 HA ALA 19 HA ALA 19 44.467 3.848 6.380 140 HB1 ALA 19 HB1 ALA 19 42.270 3.213 5.739 141 HB2 ALA 19 HB2 ALA 19 42.636 3.415 4.007 142 HB3 ALA 19 HB3 ALA 19 42.511 4.842 5.066 143 H ALA 20 HN ALA 20 46.730 2.898 4.930 144 HA ALA 20 HA ALA 20 47.705 0.851 4.460 145 HB1 ALA 20 HB1 ALA 20 46.823 -1.101 5.402 146 HB2 ALA 20 HB2 ALA 20 45.138 -0.604 5.122 147 HB3 ALA 20 HB3 ALA 20 46.094 0.172 6.407 148 H VAL 21 HN VAL 21 44.713 1.848 3.001 149 HA VAL 21 HA VAL 21 45.538 0.488 0.487 150 HB VAL 21 HB VAL 21 42.722 0.158 1.616 151 HG11 VAL 21 HG11 VAL 21 44.129 -0.846 -0.897 152 HG12 VAL 21 HG12 VAL 21 42.744 0.270 -0.816 153 HG13 VAL 21 HG13 VAL 21 42.543 -1.433 -0.343 154 HG21 VAL 21 HG21 VAL 21 45.074 -1.773 1.410 155 HG22 VAL 21 HG22 VAL 21 43.396 -2.297 1.681 156 HG23 VAL 21 HG23 VAL 21 44.212 -1.274 2.885 157 H ASN 22 HN ASN 22 43.525 2.769 2.277 158 HA ASN 22 HA ASN 22 43.736 5.012 0.781 159 HB2 ASN 22 HB2 ASN 22 43.116 4.202 -1.347 160 HB3 ASN 22 HB1 ASN 22 41.877 3.113 -0.683 161 HD21 ASN 22 HD21 ASN 22 42.633 6.585 -1.329 162 HD22 ASN 22 HD22 ASN 22 40.943 7.094 -1.392 163 H HIS 23 HN HIS 23 41.100 2.824 1.846 164 HA HIS 23 HA HIS 23 40.381 4.677 3.981 165 HB2 HIS 23 HB2 HIS 23 39.325 5.709 1.902 166 HB3 HIS 23 HB1 HIS 23 38.304 4.257 1.799 167 HD1 HIS 23 HD1 HIS 23 39.342 5.908 5.072 168 HD2 HIS 23 HD2 HIS 23 35.930 5.547 2.640 169 HE1 HIS 23 HE1 HIS 23 37.356 6.797 6.411 170 H TYR 24 HN TYR 24 37.482 3.446 3.341 171 HA TYR 24 HA TYR 24 36.297 1.674 4.251 172 HB2 TYR 24 HB2 TYR 24 38.772 0.103 3.427 173 HB3 TYR 24 HB1 TYR 24 37.171 -0.582 3.794 174 HD1 TYR 24 HD1 TYR 24 39.204 1.225 1.322 175 HD2 TYR 24 HD2 TYR 24 35.212 -0.073 2.329 176 HE1 TYR 24 HE1 TYR 24 38.473 1.652 -1.021 177 HE2 TYR 24 HE2 TYR 24 34.482 0.355 -0.014 178 HH TYR 24 HH TYR 24 35.567 2.093 -2.006 179 H LEU 25 HN LEU 25 38.356 3.202 5.898 180 HA LEU 25 HA LEU 25 39.270 3.092 8.030 181 HB2 LEU 25 HB2 LEU 25 37.221 0.937 8.639 182 HB3 LEU 25 HB1 LEU 25 37.831 2.231 9.699 183 HG LEU 25 HG LEU 25 36.042 2.570 7.251 184 HD11 LEU 25 HD11 LEU 25 34.405 3.377 8.907 185 HD12 LEU 25 HD12 LEU 25 35.582 3.118 10.218 186 HD13 LEU 25 HD13 LEU 25 34.932 1.727 9.317 187 HD21 LEU 25 HD21 LEU 25 37.504 4.476 7.293 188 HD22 LEU 25 HD22 LEU 25 37.433 4.584 9.068 189 HD23 LEU 25 HD23 LEU 25 36.005 5.005 8.092 Start of MODEL 38 1 H1 GLY 1 HT1 GLY 1 62.423 14.813 10.333 2 H2 GLY 1 HT2 GLY 1 63.290 14.258 11.686 3 H3 GLY 1 HT3 GLY 1 61.999 13.344 11.064 4 HA2 GLY 1 HA1 GLY 1 64.298 14.001 9.387 5 HA3 GLY 1 HA2 GLY 1 64.383 12.662 10.549 6 H TRP 2 HN TRP 2 61.228 13.294 9.398 7 HA TRP 2 HA TRP 2 60.904 10.725 8.252 8 HB2 TRP 2 HB2 TRP 2 59.362 13.244 7.518 9 HB3 TRP 2 HB1 TRP 2 58.802 11.561 7.371 10 HD1 TRP 2 HD1 TRP 2 58.383 10.212 9.672 11 HE1 TRP 2 HE1 TRP 2 57.720 11.024 12.052 12 HE3 TRP 2 HE3 TRP 2 59.601 15.162 9.204 13 HZ2 TRP 2 HZ2 TRP 2 57.730 13.499 13.522 14 HZ3 TRP 2 HZ3 TRP 2 59.267 16.731 11.109 15 HH2 TRP 2 HH2 TRP 2 58.332 15.904 13.265 16 H GLY 3 HN GLY 3 62.520 13.489 7.022 17 HA2 GLY 3 HA1 GLY 3 63.639 13.794 5.017 18 HA3 GLY 3 HA2 GLY 3 63.304 12.095 4.626 19 H SER 4 HN SER 4 60.569 14.034 5.428 20 HA SER 4 HA SER 4 60.061 14.999 2.714 21 HB2 SER 4 HB2 SER 4 58.595 12.550 3.757 22 HB3 SER 4 HB1 SER 4 57.972 13.573 2.443 23 HG SER 4 HG SER 4 59.193 12.299 1.274 24 H ILE 5 HN ILE 5 57.961 16.084 2.541 25 HA ILE 5 HA ILE 5 56.496 16.555 5.070 26 HB ILE 5 HB ILE 5 56.789 19.038 4.926 27 HG12 ILE 5 HG12 ILE 5 58.905 18.261 2.866 28 HG13 ILE 5 HG11 ILE 5 57.434 19.213 2.565 29 HG21 ILE 5 HG21 ILE 5 58.214 17.484 6.404 30 HG22 ILE 5 HG22 ILE 5 58.896 19.091 6.066 31 HG23 ILE 5 HG23 ILE 5 59.496 17.667 5.183 32 HD11 ILE 5 HD1 ILE 5 59.140 20.849 2.774 33 HD12 ILE 5 HD2 ILE 5 59.909 20.001 4.136 34 HD13 ILE 5 HD3 ILE 5 58.358 20.846 4.373 35 H PHE 6 HN PHE 6 57.017 17.072 1.620 36 HA PHE 6 HA PHE 6 54.401 18.326 1.200 37 HB2 PHE 6 HB2 PHE 6 56.449 17.118 -0.701 38 HB3 PHE 6 HB1 PHE 6 54.949 17.922 -1.226 39 HD1 PHE 6 HD1 PHE 6 54.554 20.345 -0.632 40 HD2 PHE 6 HD2 PHE 6 58.349 18.399 0.041 41 HE1 PHE 6 HE1 PHE 6 55.657 22.569 -0.415 42 HE2 PHE 6 HE2 PHE 6 59.451 20.623 0.258 43 HZ PHE 6 HZ PHE 6 58.117 22.706 -0.043 44 H LYS 7 HN LYS 7 54.007 16.030 2.699 45 HA LYS 7 HA LYS 7 52.806 14.037 2.707 46 HB2 LYS 7 HB2 LYS 7 51.678 15.392 0.230 47 HB3 LYS 7 HB1 LYS 7 51.006 13.893 0.915 48 HG2 LYS 7 HG2 LYS 7 50.536 14.997 3.031 49 HG3 LYS 7 HG1 LYS 7 51.376 16.473 2.495 50 HD2 LYS 7 HD2 LYS 7 49.715 16.800 0.707 51 HD3 LYS 7 HD1 LYS 7 48.891 15.292 1.176 52 HE2 LYS 7 HE2 LYS 7 48.522 16.273 3.465 53 HE3 LYS 7 HE1 LYS 7 49.202 17.807 2.871 54 HZ1 LYS 7 HZ1 LYS 7 46.870 17.954 2.641 55 HZ2 LYS 7 HZ2 LYS 7 46.751 16.415 1.932 56 HZ3 LYS 7 HZ3 LYS 7 47.471 17.693 1.076 57 H HIS 8 HN HIS 8 55.332 13.608 1.880 58 HA HIS 8 HA HIS 8 56.691 12.277 0.534 59 HB2 HIS 8 HB2 HIS 8 55.273 10.641 1.840 60 HB3 HIS 8 HB1 HIS 8 54.211 10.519 0.416 61 HD1 HIS 8 HD1 HIS 8 57.584 11.076 -0.767 62 HD2 HIS 8 HD2 HIS 8 55.497 7.726 0.680 63 HE1 HIS 8 HE1 HIS 8 58.825 8.997 -1.579 64 H GLY 9 HN GLY 9 55.248 14.334 -0.899 65 HA2 GLY 9 HA1 GLY 9 55.323 14.895 -3.181 66 HA3 GLY 9 HA2 GLY 9 55.508 13.184 -3.610 67 H ARG 10 HN ARG 10 53.004 14.256 -1.392 68 HA ARG 10 HA ARG 10 50.701 14.197 -1.566 69 HB2 ARG 10 HB2 ARG 10 51.249 14.933 -4.477 70 HB3 ARG 10 HB1 ARG 10 49.658 14.957 -3.700 71 HG2 ARG 10 HG2 ARG 10 50.319 17.202 -3.474 72 HG3 ARG 10 HG1 ARG 10 50.824 16.523 -1.914 73 HD2 ARG 10 HD2 ARG 10 53.128 16.397 -2.620 74 HD3 ARG 10 HD1 ARG 10 52.699 16.729 -4.314 75 HE ARG 10 HE ARG 10 53.095 18.719 -2.252 76 HH11 ARG 10 HH11 ARG 10 50.606 19.794 -2.485 77 HH12 ARG 10 HH12 ARG 10 50.517 20.585 -4.022 78 HH21 ARG 10 HH21 ARG 10 53.255 18.914 -5.340 79 HH22 ARG 10 HH22 ARG 10 52.016 20.087 -5.638 80 H HIS 11 HN HIS 11 52.127 11.813 -1.720 81 HA HIS 11 HA HIS 11 50.059 10.071 -2.684 82 HB2 HIS 11 HB2 HIS 11 51.272 8.916 -4.478 83 HB3 HIS 11 HB1 HIS 11 51.073 10.633 -4.903 84 HD1 HIS 11 HD1 HIS 11 53.154 11.775 -5.660 85 HD2 HIS 11 HD2 HIS 11 53.977 8.475 -3.186 86 HE1 HIS 11 HE1 HIS 11 55.695 11.563 -5.493 87 H ALA 12 HN ALA 12 50.172 8.135 -1.995 88 HA ALA 12 HA ALA 12 50.789 6.335 -0.720 89 HB1 ALA 12 HB1 ALA 12 53.331 7.701 -0.346 90 HB2 ALA 12 HB2 ALA 12 53.030 6.777 -1.820 91 HB3 ALA 12 HB3 ALA 12 53.050 5.976 -0.229 92 H ALA 13 HN ALA 13 51.823 9.626 0.086 93 HA ALA 13 HA ALA 13 51.618 9.178 2.979 94 HB1 ALA 13 HB1 ALA 13 52.508 11.355 2.444 95 HB2 ALA 13 HB2 ALA 13 50.787 11.688 2.757 96 HB3 ALA 13 HB3 ALA 13 51.380 11.563 1.084 97 H LYS 14 HN LYS 14 50.431 8.381 0.140 98 HA LYS 14 HA LYS 14 47.421 8.482 0.986 99 HB2 LYS 14 HB2 LYS 14 48.400 9.578 -1.188 100 HB3 LYS 14 HB1 LYS 14 48.715 7.881 -1.700 101 HG2 LYS 14 HG2 LYS 14 46.464 7.499 -2.161 102 HG3 LYS 14 HG1 LYS 14 45.892 8.425 -0.756 103 HD2 LYS 14 HD2 LYS 14 45.144 9.574 -2.739 104 HD3 LYS 14 HD1 LYS 14 46.465 10.547 -2.053 105 HE2 LYS 14 HE2 LYS 14 46.884 10.395 -4.419 106 HE3 LYS 14 HE1 LYS 14 48.039 9.293 -3.636 107 HZ1 LYS 14 HZ1 LYS 14 45.466 8.556 -4.934 108 HZ2 LYS 14 HZ2 LYS 14 46.434 7.476 -4.049 109 HZ3 LYS 14 HZ3 LYS 14 47.029 8.179 -5.477 110 H HIS 15 HN HIS 15 46.418 6.680 -0.638 111 HA HIS 15 HA HIS 15 45.853 4.412 -0.475 112 HB2 HIS 15 HB2 HIS 15 48.635 4.416 -1.700 113 HB3 HIS 15 HB1 HIS 15 47.494 3.052 -1.779 114 HD1 HIS 15 HD1 HIS 15 44.924 5.032 -2.058 115 HD2 HIS 15 HD2 HIS 15 48.331 4.888 -4.520 116 HE1 HIS 15 HE1 HIS 15 44.283 6.064 -4.306 117 H ILE 16 HN ILE 16 47.467 5.530 1.870 118 HA ILE 16 HA ILE 16 47.484 3.366 3.450 119 HB ILE 16 HB ILE 16 49.218 2.185 2.330 120 HG12 ILE 16 HG12 ILE 16 50.708 3.692 4.517 121 HG13 ILE 16 HG11 ILE 16 49.460 2.479 4.876 122 HG21 ILE 16 HG21 ILE 16 51.453 3.364 1.859 123 HG22 ILE 16 HG22 ILE 16 50.638 4.879 2.252 124 HG23 ILE 16 HG23 ILE 16 50.105 3.930 0.853 125 HD11 ILE 16 HD1 ILE 16 51.410 1.173 4.948 126 HD12 ILE 16 HD2 ILE 16 52.206 2.091 3.653 127 HD13 ILE 16 HD3 ILE 16 50.913 0.934 3.258 128 H GLY 17 HN GLY 17 49.188 6.080 2.610 129 HA2 GLY 17 HA1 GLY 17 49.520 6.944 5.405 130 HA3 GLY 17 HA2 GLY 17 49.869 7.907 3.955 131 H HIS 18 HN HIS 18 47.176 6.627 2.950 132 HA HIS 18 HA HIS 18 45.467 8.853 4.063 133 HB2 HIS 18 HB2 HIS 18 45.520 7.214 1.553 134 HB3 HIS 18 HB1 HIS 18 43.898 7.576 2.175 135 HD1 HIS 18 HD1 HIS 18 46.739 10.017 2.709 136 HD2 HIS 18 HD2 HIS 18 43.373 9.568 0.229 137 HE1 HIS 18 HE1 HIS 18 46.431 12.212 1.439 138 H ALA 19 HN ALA 19 45.492 5.259 3.636 139 HA ALA 19 HA ALA 19 44.411 4.616 6.130 140 HB1 ALA 19 HB1 ALA 19 42.365 5.738 5.952 141 HB2 ALA 19 HB2 ALA 19 41.916 4.155 5.286 142 HB3 ALA 19 HB3 ALA 19 42.277 5.509 4.188 143 H ALA 20 HN ALA 20 45.711 3.849 3.338 144 HA ALA 20 HA ALA 20 46.099 1.856 2.208 145 HB1 ALA 20 HB1 ALA 20 46.090 -0.166 3.478 146 HB2 ALA 20 HB2 ALA 20 44.870 0.464 4.609 147 HB3 ALA 20 HB3 ALA 20 46.520 1.130 4.617 148 H VAL 21 HN VAL 21 43.292 3.213 2.616 149 HA VAL 21 HA VAL 21 41.854 1.318 0.827 150 HB VAL 21 HB VAL 21 40.667 2.418 3.418 151 HG11 VAL 21 HG11 VAL 21 38.888 2.365 1.847 152 HG12 VAL 21 HG12 VAL 21 38.753 0.790 2.653 153 HG13 VAL 21 HG13 VAL 21 39.508 0.904 1.045 154 HG21 VAL 21 HG21 VAL 21 42.136 0.543 3.912 155 HG22 VAL 21 HG22 VAL 21 41.472 -0.400 2.557 156 HG23 VAL 21 HG23 VAL 21 40.466 -0.054 3.984 157 H ASN 22 HN ASN 22 42.878 4.314 1.864 158 HA ASN 22 HA ASN 22 42.742 6.299 0.553 159 HB2 ASN 22 HB2 ASN 22 39.895 5.589 -0.229 160 HB3 ASN 22 HB1 ASN 22 40.939 6.856 -0.905 161 HD21 ASN 22 HD21 ASN 22 39.962 5.183 -2.812 162 HD22 ASN 22 HD22 ASN 22 41.191 4.024 -3.330 163 H HIS 23 HN HIS 23 40.069 4.995 2.453 164 HA HIS 23 HA HIS 23 40.223 7.173 4.339 165 HB2 HIS 23 HB2 HIS 23 37.946 8.126 3.913 166 HB3 HIS 23 HB1 HIS 23 39.110 8.474 2.611 167 HD1 HIS 23 HD1 HIS 23 38.920 7.015 0.393 168 HD2 HIS 23 HD2 HIS 23 35.777 6.503 3.140 169 HE1 HIS 23 HE1 HIS 23 37.005 5.862 -0.847 170 H TYR 24 HN TYR 24 40.224 5.630 5.921 171 HA TYR 24 HA TYR 24 38.227 3.493 5.966 172 HB2 TYR 24 HB2 TYR 24 40.472 3.209 6.956 173 HB3 TYR 24 HB1 TYR 24 40.120 4.500 8.130 174 HD1 TYR 24 HD1 TYR 24 39.216 3.880 10.228 175 HD2 TYR 24 HD2 TYR 24 38.642 1.279 6.829 176 HE1 TYR 24 HE1 TYR 24 38.095 2.208 11.695 177 HE2 TYR 24 HE2 TYR 24 37.522 -0.392 8.300 178 HH TYR 24 HH TYR 24 37.499 -0.995 10.713 179 H LEU 25 HN LEU 25 37.730 6.641 6.190 180 HA LEU 25 HA LEU 25 36.371 6.952 8.722 181 HB2 LEU 25 HB2 LEU 25 35.732 8.491 6.182 182 HB3 LEU 25 HB1 LEU 25 35.625 9.041 7.872 183 HG LEU 25 HG LEU 25 38.174 8.396 6.326 184 HD11 LEU 25 HD11 LEU 25 37.133 10.560 5.750 185 HD12 LEU 25 HD12 LEU 25 38.632 10.813 6.678 186 HD13 LEU 25 HD13 LEU 25 37.050 10.989 7.475 187 HD21 LEU 25 HD21 LEU 25 37.661 9.080 9.251 188 HD22 LEU 25 HD22 LEU 25 39.238 9.371 8.477 189 HD23 LEU 25 HD23 LEU 25 38.592 7.717 8.584 Start of MODEL 39 1 H1 GLY 1 HT1 GLY 1 63.197 9.401 12.472 2 H2 GLY 1 HT2 GLY 1 62.980 10.351 13.864 3 H3 GLY 1 HT3 GLY 1 64.533 10.143 13.206 4 HA2 GLY 1 HA1 GLY 1 62.365 11.870 12.396 5 HA3 GLY 1 HA2 GLY 1 64.119 12.139 12.363 6 H TRP 2 HN TRP 2 61.336 11.335 10.571 7 HA TRP 2 HA TRP 2 62.469 9.786 8.458 8 HB2 TRP 2 HB2 TRP 2 60.175 11.789 8.462 9 HB3 TRP 2 HB1 TRP 2 60.549 10.690 7.111 10 HD1 TRP 2 HD1 TRP 2 59.492 10.622 10.816 11 HE1 TRP 2 HE1 TRP 2 58.298 8.369 11.326 12 HE3 TRP 2 HE3 TRP 2 60.224 8.286 6.320 13 HZ2 TRP 2 HZ2 TRP 2 57.753 5.904 9.944 14 HZ3 TRP 2 HZ3 TRP 2 59.359 5.983 5.938 15 HH2 TRP 2 HH2 TRP 2 58.125 4.790 7.744 16 H GLY 3 HN GLY 3 61.205 12.509 6.937 17 HA2 GLY 3 HA1 GLY 3 63.359 14.314 6.800 18 HA3 GLY 3 HA2 GLY 3 63.688 13.060 5.589 19 H SER 4 HN SER 4 60.710 12.642 5.254 20 HA SER 4 HA SER 4 60.399 14.515 3.059 21 HB2 SER 4 HB2 SER 4 58.499 12.530 4.357 22 HB3 SER 4 HB1 SER 4 58.094 13.488 2.916 23 HG SER 4 HG SER 4 59.011 11.352 2.513 24 H ILE 5 HN ILE 5 58.051 15.563 2.884 25 HA ILE 5 HA ILE 5 57.018 16.689 5.359 26 HB ILE 5 HB ILE 5 59.113 18.027 5.155 27 HG12 ILE 5 HG12 ILE 5 56.601 19.645 4.508 28 HG13 ILE 5 HG11 ILE 5 56.982 18.978 6.112 29 HG21 ILE 5 HG21 ILE 5 57.919 19.182 2.604 30 HG22 ILE 5 HG22 ILE 5 59.099 17.850 2.579 31 HG23 ILE 5 HG23 ILE 5 59.551 19.424 3.269 32 HD11 ILE 5 HD1 ILE 5 58.499 21.104 4.556 33 HD12 ILE 5 HD2 ILE 5 59.217 20.250 5.942 34 HD13 ILE 5 HD3 ILE 5 57.756 21.238 6.165 35 H PHE 6 HN PHE 6 57.413 17.101 1.825 36 HA PHE 6 HA PHE 6 54.788 18.377 1.555 37 HB2 PHE 6 HB2 PHE 6 56.524 17.135 -0.612 38 HB3 PHE 6 HB1 PHE 6 55.235 18.347 -0.815 39 HD1 PHE 6 HD1 PHE 6 58.760 17.871 -0.317 40 HD2 PHE 6 HD2 PHE 6 55.509 20.579 0.541 41 HE1 PHE 6 HE1 PHE 6 60.396 19.708 0.079 42 HE2 PHE 6 HE2 PHE 6 57.145 22.415 0.938 43 HZ PHE 6 HZ PHE 6 59.590 21.966 0.758 44 H LYS 7 HN LYS 7 54.320 16.099 2.977 45 HA LYS 7 HA LYS 7 53.081 14.124 2.946 46 HB2 LYS 7 HB2 LYS 7 52.018 15.582 0.509 47 HB3 LYS 7 HB1 LYS 7 51.315 14.052 1.090 48 HG2 LYS 7 HG2 LYS 7 50.790 15.042 3.247 49 HG3 LYS 7 HG1 LYS 7 51.672 16.531 2.828 50 HD2 LYS 7 HD2 LYS 7 50.069 16.908 0.940 51 HD3 LYS 7 HD1 LYS 7 49.153 15.474 1.469 52 HE2 LYS 7 HE2 LYS 7 48.652 16.501 3.610 53 HE3 LYS 7 HE1 LYS 7 49.737 17.868 3.263 54 HZ1 LYS 7 HZ1 LYS 7 47.610 18.644 2.759 55 HZ2 LYS 7 HZ2 LYS 7 47.143 17.201 1.994 56 HZ3 LYS 7 HZ3 LYS 7 48.257 18.242 1.244 57 H HIS 8 HN HIS 8 55.600 13.657 2.167 58 HA HIS 8 HA HIS 8 56.961 12.320 0.822 59 HB2 HIS 8 HB2 HIS 8 55.514 10.716 2.143 60 HB3 HIS 8 HB1 HIS 8 54.468 10.582 0.711 61 HD1 HIS 8 HD1 HIS 8 57.983 9.817 1.946 62 HD2 HIS 8 HD2 HIS 8 55.516 8.980 -1.356 63 HE1 HIS 8 HE1 HIS 8 59.176 8.055 0.532 64 H GLY 9 HN GLY 9 55.559 14.379 -0.616 65 HA2 GLY 9 HA1 GLY 9 55.659 14.927 -2.905 66 HA3 GLY 9 HA2 GLY 9 55.762 13.206 -3.327 67 H ARG 10 HN ARG 10 53.332 14.401 -1.081 68 HA ARG 10 HA ARG 10 51.019 14.385 -1.234 69 HB2 ARG 10 HB2 ARG 10 51.668 15.267 -4.084 70 HB3 ARG 10 HB1 ARG 10 50.024 15.198 -3.424 71 HG2 ARG 10 HG2 ARG 10 50.546 17.433 -2.973 72 HG3 ARG 10 HG1 ARG 10 51.090 16.688 -1.457 73 HD2 ARG 10 HD2 ARG 10 52.861 18.146 -2.165 74 HD3 ARG 10 HD1 ARG 10 53.413 16.502 -2.546 75 HE ARG 10 HE ARG 10 52.163 17.320 -4.880 76 HH11 ARG 10 HH11 ARG 10 52.627 19.683 -5.615 77 HH12 ARG 10 HH12 ARG 10 54.320 20.043 -5.648 78 HH21 ARG 10 HH21 ARG 10 55.211 17.313 -3.706 79 HH22 ARG 10 HH22 ARG 10 55.782 18.703 -4.566 80 H HIS 11 HN HIS 11 52.491 12.015 -1.552 81 HA HIS 11 HA HIS 11 50.374 10.311 -2.592 82 HB2 HIS 11 HB2 HIS 11 53.014 10.486 -4.104 83 HB3 HIS 11 HB1 HIS 11 51.920 9.088 -4.216 84 HD1 HIS 11 HD1 HIS 11 52.460 12.547 -5.466 85 HD2 HIS 11 HD2 HIS 11 49.358 9.709 -5.442 86 HE1 HIS 11 HE1 HIS 11 50.686 13.344 -7.122 87 H ALA 12 HN ALA 12 50.448 8.340 -1.956 88 HA ALA 12 HA ALA 12 50.968 6.523 -0.669 89 HB1 ALA 12 HB1 ALA 12 53.479 7.876 -0.092 90 HB2 ALA 12 HB2 ALA 12 53.278 6.986 -1.605 91 HB3 ALA 12 HB3 ALA 12 53.190 6.148 -0.034 92 H ALA 13 HN ALA 13 51.950 9.792 0.285 93 HA ALA 13 HA ALA 13 51.552 9.278 3.144 94 HB1 ALA 13 HB1 ALA 13 51.523 11.698 1.289 95 HB2 ALA 13 HB2 ALA 13 52.452 11.465 2.790 96 HB3 ALA 13 HB3 ALA 13 50.706 11.809 2.866 97 H LYS 14 HN LYS 14 50.556 8.558 0.213 98 HA LYS 14 HA LYS 14 47.495 8.644 0.856 99 HB2 LYS 14 HB2 LYS 14 48.629 9.796 -1.210 100 HB3 LYS 14 HB1 LYS 14 48.975 8.110 -1.746 101 HG2 LYS 14 HG2 LYS 14 46.767 7.772 -2.396 102 HG3 LYS 14 HG1 LYS 14 46.095 8.633 -0.992 103 HD2 LYS 14 HD2 LYS 14 46.560 10.797 -2.061 104 HD3 LYS 14 HD1 LYS 14 47.332 9.974 -3.438 105 HE2 LYS 14 HE2 LYS 14 45.142 8.760 -3.832 106 HE3 LYS 14 HE1 LYS 14 44.409 9.804 -2.591 107 HZ1 LYS 14 HZ1 LYS 14 44.157 10.613 -4.920 108 HZ2 LYS 14 HZ2 LYS 14 45.840 10.838 -4.986 109 HZ3 LYS 14 HZ3 LYS 14 44.904 11.724 -3.879 110 H HIS 15 HN HIS 15 46.608 6.885 -0.891 111 HA HIS 15 HA HIS 15 46.041 4.614 -0.840 112 HB2 HIS 15 HB2 HIS 15 47.622 5.031 -2.761 113 HB3 HIS 15 HB1 HIS 15 48.940 4.421 -1.733 114 HD1 HIS 15 HD1 HIS 15 45.354 3.085 -2.068 115 HD2 HIS 15 HD2 HIS 15 49.327 1.846 -2.678 116 HE1 HIS 15 HE1 HIS 15 45.288 0.621 -2.743 117 H ILE 16 HN ILE 16 47.493 5.672 1.656 118 HA ILE 16 HA ILE 16 47.372 3.465 3.178 119 HB ILE 16 HB ILE 16 49.182 2.305 2.151 120 HG12 ILE 16 HG12 ILE 16 50.636 3.684 4.437 121 HG13 ILE 16 HG11 ILE 16 49.235 2.645 4.766 122 HG21 ILE 16 HG21 ILE 16 50.601 4.999 2.252 123 HG22 ILE 16 HG22 ILE 16 50.180 4.081 0.794 124 HG23 ILE 16 HG23 ILE 16 51.451 3.497 1.884 125 HD11 ILE 16 HD1 ILE 16 51.877 1.855 3.470 126 HD12 ILE 16 HD2 ILE 16 50.434 0.818 3.408 127 HD13 ILE 16 HD3 ILE 16 51.162 1.238 4.973 128 H GLY 17 HN GLY 17 49.120 6.203 2.527 129 HA2 GLY 17 HA1 GLY 17 49.265 6.989 5.365 130 HA3 GLY 17 HA2 GLY 17 49.727 7.984 3.969 131 H HIS 18 HN HIS 18 47.102 6.742 2.749 132 HA HIS 18 HA HIS 18 45.333 8.961 3.774 133 HB2 HIS 18 HB2 HIS 18 45.560 7.364 1.251 134 HB3 HIS 18 HB1 HIS 18 43.893 7.705 1.760 135 HD1 HIS 18 HD1 HIS 18 46.686 10.145 2.528 136 HD2 HIS 18 HD2 HIS 18 43.592 9.685 -0.283 137 HE1 HIS 18 HE1 HIS 18 46.449 12.366 1.287 138 H ALA 19 HN ALA 19 45.425 5.380 3.355 139 HA ALA 19 HA ALA 19 44.204 4.664 5.730 140 HB1 ALA 19 HB1 ALA 19 42.155 5.685 3.767 141 HB2 ALA 19 HB2 ALA 19 42.170 5.794 5.544 142 HB3 ALA 19 HB3 ALA 19 41.731 4.266 4.754 143 H ALA 20 HN ALA 20 45.601 3.990 2.970 144 HA ALA 20 HA ALA 20 46.016 2.040 1.779 145 HB1 ALA 20 HB1 ALA 20 46.338 1.221 4.171 146 HB2 ALA 20 HB2 ALA 20 45.938 -0.030 2.971 147 HB3 ALA 20 HB3 ALA 20 44.684 0.574 4.079 148 H VAL 21 HN VAL 21 43.200 3.400 2.126 149 HA VAL 21 HA VAL 21 41.825 1.559 0.227 150 HB VAL 21 HB VAL 21 40.561 2.622 2.798 151 HG11 VAL 21 HG11 VAL 21 38.846 2.719 1.158 152 HG12 VAL 21 HG12 VAL 21 38.609 1.125 1.902 153 HG13 VAL 21 HG13 VAL 21 39.427 1.257 0.327 154 HG21 VAL 21 HG21 VAL 21 41.952 0.656 3.224 155 HG22 VAL 21 HG22 VAL 21 41.236 -0.198 1.837 156 HG23 VAL 21 HG23 VAL 21 40.248 0.161 3.273 157 H ASN 22 HN ASN 22 42.831 4.541 1.362 158 HA ASN 22 HA ASN 22 42.791 6.518 0.017 159 HB2 ASN 22 HB2 ASN 22 41.316 5.333 -1.741 160 HB3 ASN 22 HB1 ASN 22 39.923 5.929 -0.802 161 HD21 ASN 22 HD21 ASN 22 42.033 6.724 -3.352 162 HD22 ASN 22 HD22 ASN 22 41.770 8.471 -3.349 163 H HIS 23 HN HIS 23 40.053 5.282 1.879 164 HA HIS 23 HA HIS 23 40.241 7.474 3.756 165 HB2 HIS 23 HB2 HIS 23 39.099 8.606 1.794 166 HB3 HIS 23 HB1 HIS 23 37.741 7.478 2.020 167 HD1 HIS 23 HD1 HIS 23 37.566 7.375 5.093 168 HD2 HIS 23 HD2 HIS 23 38.161 10.942 2.949 169 HE1 HIS 23 HE1 HIS 23 36.751 9.294 6.568 170 H TYR 24 HN TYR 24 40.143 6.092 5.428 171 HA TYR 24 HA TYR 24 37.553 4.996 6.139 172 HB2 TYR 24 HB2 TYR 24 38.376 3.290 4.463 173 HB3 TYR 24 HB1 TYR 24 39.743 2.965 5.556 174 HD1 TYR 24 HD1 TYR 24 39.417 1.821 7.688 175 HD2 TYR 24 HD2 TYR 24 36.061 2.732 5.129 176 HE1 TYR 24 HE1 TYR 24 37.976 0.299 9.035 177 HE2 TYR 24 HE2 TYR 24 34.621 1.210 6.477 178 HH TYR 24 HH TYR 24 35.246 0.032 9.378 179 H LEU 25 HN LEU 25 40.638 6.098 6.729 180 HA LEU 25 HA LEU 25 40.279 5.934 9.598 181 HB2 LEU 25 HB2 LEU 25 41.159 3.571 8.794 182 HB3 LEU 25 HB1 LEU 25 42.723 4.401 8.657 183 HG LEU 25 HG LEU 25 40.979 4.272 11.163 184 HD11 LEU 25 HD11 LEU 25 42.093 2.127 10.547 185 HD12 LEU 25 HD12 LEU 25 42.767 2.823 12.040 186 HD13 LEU 25 HD13 LEU 25 43.660 2.970 10.506 187 HD21 LEU 25 HD21 LEU 25 43.609 5.661 10.513 188 HD22 LEU 25 HD22 LEU 25 43.201 5.194 12.181 189 HD23 LEU 25 HD23 LEU 25 42.159 6.331 11.299 Start of MODEL 40 1 H1 GLY 1 HT1 GLY 1 65.908 22.207 -8.792 2 H2 GLY 1 HT2 GLY 1 66.745 23.308 -7.804 3 H3 GLY 1 HT3 GLY 1 65.329 23.789 -8.611 4 HA2 GLY 1 HA1 GLY 1 65.581 22.768 -6.076 5 HA3 GLY 1 HA2 GLY 1 64.095 23.166 -6.959 6 H TRP 2 HN TRP 2 64.009 21.166 -5.128 7 HA TRP 2 HA TRP 2 64.635 18.561 -6.120 8 HB2 TRP 2 HB2 TRP 2 62.289 19.285 -4.330 9 HB3 TRP 2 HB1 TRP 2 63.160 17.736 -4.409 10 HD1 TRP 2 HD1 TRP 2 65.658 17.680 -3.435 11 HE1 TRP 2 HE1 TRP 2 66.862 19.136 -1.648 12 HE3 TRP 2 HE3 TRP 2 62.442 21.662 -3.338 13 HZ2 TRP 2 HZ2 TRP 2 66.455 21.684 -0.369 14 HZ3 TRP 2 HZ3 TRP 2 62.869 23.595 -1.827 15 HH2 TRP 2 HH2 TRP 2 64.871 23.610 -0.344 16 H GLY 3 HN GLY 3 61.984 20.780 -6.764 17 HA2 GLY 3 HA1 GLY 3 60.322 20.676 -8.373 18 HA3 GLY 3 HA2 GLY 3 61.186 19.309 -9.103 19 H SER 4 HN SER 4 60.715 18.576 -5.900 20 HA SER 4 HA SER 4 58.643 16.619 -6.557 21 HB2 SER 4 HB2 SER 4 59.865 17.387 -3.878 22 HB3 SER 4 HB1 SER 4 58.875 15.946 -4.203 23 HG SER 4 HG SER 4 61.476 16.215 -4.493 24 H ILE 5 HN ILE 5 56.567 17.135 -6.732 25 HA ILE 5 HA ILE 5 55.483 19.540 -5.472 26 HB ILE 5 HB ILE 5 53.894 17.262 -6.727 27 HG12 ILE 5 HG12 ILE 5 55.287 19.625 -8.071 28 HG13 ILE 5 HG11 ILE 5 55.707 17.908 -8.270 29 HG21 ILE 5 HG21 ILE 5 52.768 19.190 -5.438 30 HG22 ILE 5 HG22 ILE 5 52.228 18.941 -7.113 31 HG23 ILE 5 HG23 ILE 5 53.359 20.262 -6.729 32 HD11 ILE 5 HD1 ILE 5 54.361 18.392 -10.165 33 HD12 ILE 5 HD2 ILE 5 53.218 19.370 -9.214 34 HD13 ILE 5 HD3 ILE 5 53.235 17.596 -9.039 35 H PHE 6 HN PHE 6 56.339 18.654 -3.293 36 HA PHE 6 HA PHE 6 55.817 17.850 -1.183 37 HB2 PHE 6 HB2 PHE 6 52.931 17.832 -2.134 38 HB3 PHE 6 HB1 PHE 6 53.529 17.993 -0.466 39 HD1 PHE 6 HD1 PHE 6 52.277 19.840 -3.197 40 HD2 PHE 6 HD2 PHE 6 55.377 19.965 -0.192 41 HE1 PHE 6 HE1 PHE 6 52.430 22.312 -3.457 42 HE2 PHE 6 HE2 PHE 6 55.528 22.436 -0.454 43 HZ PHE 6 HZ PHE 6 54.008 23.617 -2.037 44 H LYS 7 HN LYS 7 55.747 16.042 -3.829 45 HA LYS 7 HA LYS 7 54.207 13.734 -3.151 46 HB2 LYS 7 HB2 LYS 7 56.762 14.048 -4.774 47 HB3 LYS 7 HB1 LYS 7 55.826 12.536 -4.676 48 HG2 LYS 7 HG2 LYS 7 53.803 13.808 -5.483 49 HG3 LYS 7 HG1 LYS 7 54.850 15.227 -5.724 50 HD2 LYS 7 HD2 LYS 7 56.235 13.987 -7.318 51 HD3 LYS 7 HD1 LYS 7 55.299 12.503 -7.019 52 HE2 LYS 7 HE2 LYS 7 54.438 13.463 -9.055 53 HE3 LYS 7 HE1 LYS 7 53.231 13.787 -7.788 54 HZ1 LYS 7 HZ1 LYS 7 53.516 15.960 -8.044 55 HZ2 LYS 7 HZ2 LYS 7 54.473 15.637 -9.410 56 HZ3 LYS 7 HZ3 LYS 7 55.201 15.842 -7.889 57 H HIS 8 HN HIS 8 57.449 14.813 -2.212 58 HA HIS 8 HA HIS 8 58.218 12.298 -0.991 59 HB2 HIS 8 HB2 HIS 8 60.015 13.642 0.057 60 HB3 HIS 8 HB1 HIS 8 59.878 13.977 -1.685 61 HD1 HIS 8 HD1 HIS 8 58.288 16.154 -2.291 62 HD2 HIS 8 HD2 HIS 8 59.779 15.910 1.634 63 HE1 HIS 8 HE1 HIS 8 58.129 18.490 -1.270 64 H GLY 9 HN GLY 9 55.703 14.223 -0.235 65 HA2 GLY 9 HA1 GLY 9 55.502 13.143 2.453 66 HA3 GLY 9 HA2 GLY 9 55.844 14.884 2.462 67 H ARG 10 HN ARG 10 53.914 13.051 0.093 68 HA ARG 10 HA ARG 10 51.377 13.868 1.263 69 HB2 ARG 10 HB2 ARG 10 52.382 16.003 0.151 70 HB3 ARG 10 HB1 ARG 10 52.018 15.200 -1.393 71 HG2 ARG 10 HG2 ARG 10 49.631 14.912 -0.594 72 HG3 ARG 10 HG1 ARG 10 50.045 15.900 0.827 73 HD2 ARG 10 HD2 ARG 10 49.018 17.291 -0.943 74 HD3 ARG 10 HD1 ARG 10 50.710 17.766 -0.661 75 HE ARG 10 HE ARG 10 51.180 17.087 -2.870 76 HH11 ARG 10 HH11 ARG 10 48.330 17.479 -3.627 77 HH12 ARG 10 HH12 ARG 10 47.904 15.940 -4.295 78 HH21 ARG 10 HH21 ARG 10 50.620 14.289 -2.907 79 HH22 ARG 10 HH22 ARG 10 49.200 14.132 -3.886 80 H HIS 11 HN HIS 11 52.482 11.420 0.528 81 HA HIS 11 HA HIS 11 50.377 10.382 -1.126 82 HB2 HIS 11 HB2 HIS 11 51.724 11.384 -2.962 83 HB3 HIS 11 HB1 HIS 11 53.139 10.455 -2.412 84 HD1 HIS 11 HD1 HIS 11 52.858 7.758 -2.444 85 HD2 HIS 11 HD2 HIS 11 50.093 9.973 -4.706 86 HE1 HIS 11 HE1 HIS 11 51.712 6.134 -4.049 87 H ALA 12 HN ALA 12 50.151 8.333 -1.074 88 HA ALA 12 HA ALA 12 50.344 6.156 -0.378 89 HB1 ALA 12 HB1 ALA 12 52.966 6.919 0.630 90 HB2 ALA 12 HB2 ALA 12 52.747 6.535 -1.080 91 HB3 ALA 12 HB3 ALA 12 52.458 5.303 0.175 92 H ALA 13 HN ALA 13 51.680 8.809 1.517 93 HA ALA 13 HA ALA 13 51.037 7.578 4.093 94 HB1 ALA 13 HB1 ALA 13 50.873 9.957 4.852 95 HB2 ALA 13 HB2 ALA 13 51.004 10.514 3.166 96 HB3 ALA 13 HB3 ALA 13 52.393 9.728 3.954 97 H LYS 14 HN LYS 14 50.147 7.900 1.053 98 HA LYS 14 HA LYS 14 47.090 8.256 1.620 99 HB2 LYS 14 HB2 LYS 14 48.502 9.756 0.002 100 HB3 LYS 14 HB1 LYS 14 48.652 8.258 -0.988 101 HG2 LYS 14 HG2 LYS 14 46.466 8.447 -1.762 102 HG3 LYS 14 HG1 LYS 14 45.827 8.975 -0.189 103 HD2 LYS 14 HD2 LYS 14 46.744 11.255 -0.601 104 HD3 LYS 14 HD1 LYS 14 47.340 10.714 -2.189 105 HE2 LYS 14 HE2 LYS 14 44.418 10.502 -1.362 106 HE3 LYS 14 HE1 LYS 14 45.082 11.917 -2.212 107 HZ1 LYS 14 HZ1 LYS 14 44.979 9.103 -3.162 108 HZ2 LYS 14 HZ2 LYS 14 45.926 10.297 -3.914 109 HZ3 LYS 14 HZ3 LYS 14 44.236 10.464 -3.851 110 H HIS 15 HN HIS 15 46.086 7.213 -0.575 111 HA HIS 15 HA HIS 15 45.202 5.131 -1.190 112 HB2 HIS 15 HB2 HIS 15 48.107 5.000 -2.073 113 HB3 HIS 15 HB1 HIS 15 46.808 3.950 -2.690 114 HD1 HIS 15 HD1 HIS 15 44.496 5.912 -3.021 115 HD2 HIS 15 HD2 HIS 15 48.441 6.749 -4.211 116 HE1 HIS 15 HE1 HIS 15 44.387 7.779 -4.762 117 H ILE 16 HN ILE 16 46.641 5.206 1.532 118 HA ILE 16 HA ILE 16 46.123 2.697 2.338 119 HB ILE 16 HB ILE 16 47.813 1.620 1.061 120 HG12 ILE 16 HG12 ILE 16 49.188 2.135 3.730 121 HG13 ILE 16 HG11 ILE 16 47.756 1.095 3.576 122 HG21 ILE 16 HG21 ILE 16 50.229 2.481 1.161 123 HG22 ILE 16 HG22 ILE 16 49.595 3.926 1.952 124 HG23 ILE 16 HG23 ILE 16 49.115 3.552 0.287 125 HD11 ILE 16 HD1 ILE 16 50.569 0.641 2.545 126 HD12 ILE 16 HD2 ILE 16 49.206 -0.107 1.681 127 HD13 ILE 16 HD3 ILE 16 49.486 -0.481 3.394 128 H GLY 17 HN GLY 17 48.314 5.174 2.563 129 HA2 GLY 17 HA1 GLY 17 48.368 5.101 5.503 130 HA3 GLY 17 HA2 GLY 17 49.035 6.380 4.468 131 H HIS 18 HN HIS 18 46.377 5.958 2.876 132 HA HIS 18 HA HIS 18 44.847 8.021 4.440 133 HB2 HIS 18 HB2 HIS 18 45.022 7.133 1.593 134 HB3 HIS 18 HB1 HIS 18 43.369 7.489 2.127 135 HD1 HIS 18 HD1 HIS 18 43.340 9.616 0.583 136 HD2 HIS 18 HD2 HIS 18 46.294 9.696 3.573 137 HE1 HIS 18 HE1 HIS 18 44.167 12.025 0.773 138 H ALA 19 HN ALA 19 44.412 4.745 2.983 139 HA ALA 19 HA ALA 19 43.034 3.559 5.089 140 HB1 ALA 19 HB1 ALA 19 41.210 5.040 5.195 141 HB2 ALA 19 HB2 ALA 19 40.582 3.781 4.115 142 HB3 ALA 19 HB3 ALA 19 41.200 5.305 3.436 143 H ALA 20 HN ALA 20 44.455 3.494 2.273 144 HA ALA 20 HA ALA 20 44.662 1.919 0.580 145 HB1 ALA 20 HB1 ALA 20 44.667 0.410 2.649 146 HB2 ALA 20 HB2 ALA 20 44.216 -0.359 1.109 147 HB3 ALA 20 HB3 ALA 20 42.957 0.079 2.289 148 H VAL 21 HN VAL 21 42.077 3.589 1.230 149 HA VAL 21 HA VAL 21 40.530 2.525 -1.107 150 HB VAL 21 HB VAL 21 39.346 3.296 1.602 151 HG11 VAL 21 HG11 VAL 21 37.804 4.111 -0.013 152 HG12 VAL 21 HG12 VAL 21 37.187 2.490 0.373 153 HG13 VAL 21 HG13 VAL 21 38.110 2.758 -1.126 154 HG21 VAL 21 HG21 VAL 21 38.527 0.946 1.586 155 HG22 VAL 21 HG22 VAL 21 40.304 1.015 1.529 156 HG23 VAL 21 HG23 VAL 21 39.380 0.665 0.050 157 H ASN 22 HN ASN 22 42.015 4.980 0.637 158 HA ASN 22 HA ASN 22 42.459 7.126 -0.390 159 HB2 ASN 22 HB2 ASN 22 40.803 6.702 -2.282 160 HB3 ASN 22 HB1 ASN 22 39.526 7.282 -1.175 161 HD21 ASN 22 HD21 ASN 22 40.628 8.534 -3.735 162 HD22 ASN 22 HD22 ASN 22 41.141 10.149 -3.234 163 H HIS 23 HN HIS 23 39.552 6.181 1.354 164 HA HIS 23 HA HIS 23 38.822 6.902 3.444 165 HB2 HIS 23 HB2 HIS 23 41.367 7.639 3.725 166 HB3 HIS 23 HB1 HIS 23 40.717 9.275 3.488 167 HD1 HIS 23 HD1 HIS 23 39.727 6.178 5.571 168 HD2 HIS 23 HD2 HIS 23 40.049 10.357 5.922 169 HE1 HIS 23 HE1 HIS 23 39.018 6.801 7.946 170 H TYR 24 HN TYR 24 37.836 7.706 0.857 171 HA TYR 24 HA TYR 24 37.243 10.447 0.610 172 HB2 TYR 24 HB2 TYR 24 36.702 8.614 -1.041 173 HB3 TYR 24 HB1 TYR 24 35.326 8.167 -0.005 174 HD1 TYR 24 HD1 TYR 24 36.716 10.722 -2.289 175 HD2 TYR 24 HD2 TYR 24 33.393 9.668 0.256 176 HE1 TYR 24 HE1 TYR 24 35.347 12.524 -3.332 177 HE2 TYR 24 HE2 TYR 24 32.024 11.470 -0.787 178 HH TYR 24 HH TYR 24 32.008 12.879 -2.870 179 H LEU 25 HN LEU 25 35.860 8.006 2.755 180 HA LEU 25 HA LEU 25 33.512 9.448 3.509 181 HB2 LEU 25 HB2 LEU 25 33.733 7.110 4.073 182 HB3 LEU 25 HB1 LEU 25 35.223 7.412 4.991 183 HG LEU 25 HG LEU 25 34.010 8.621 6.710 184 HD11 LEU 25 HD11 LEU 25 31.422 8.734 6.476 185 HD12 LEU 25 HD12 LEU 25 31.696 8.445 4.740 186 HD13 LEU 25 HD13 LEU 25 32.379 9.891 5.523 187 HD21 LEU 25 HD21 LEU 25 32.383 6.166 5.916 188 HD22 LEU 25 HD22 LEU 25 32.549 6.851 7.551 189 HD23 LEU 25 HD23 LEU 25 33.955 6.111 6.749 Start of MODEL 41 1 H1 GLY 1 HT1 GLY 1 60.666 17.034 2.947 2 H2 GLY 1 HT2 GLY 1 60.816 18.178 4.196 3 H3 GLY 1 HT3 GLY 1 60.059 16.684 4.490 4 HA2 GLY 1 HA1 GLY 1 62.866 17.361 4.271 5 HA3 GLY 1 HA2 GLY 1 62.044 16.236 5.369 6 H TRP 2 HN TRP 2 64.061 15.001 4.656 7 HA TRP 2 HA TRP 2 64.948 13.222 3.467 8 HB2 TRP 2 HB2 TRP 2 62.643 12.312 4.063 9 HB3 TRP 2 HB1 TRP 2 62.123 12.783 2.429 10 HD1 TRP 2 HD1 TRP 2 62.454 11.013 0.639 11 HE1 TRP 2 HE1 TRP 2 63.893 8.868 0.335 12 HE3 TRP 2 HE3 TRP 2 65.215 11.276 4.942 13 HZ2 TRP 2 HZ2 TRP 2 65.959 7.482 1.784 14 HZ3 TRP 2 HZ3 TRP 2 66.915 9.532 5.462 15 HH2 TRP 2 HH2 TRP 2 67.289 7.637 3.888 16 H GLY 3 HN GLY 3 64.126 15.978 2.117 17 HA2 GLY 3 HA1 GLY 3 64.820 16.909 0.099 18 HA3 GLY 3 HA2 GLY 3 65.381 15.311 -0.433 19 H SER 4 HN SER 4 62.324 14.769 0.610 20 HA SER 4 HA SER 4 61.253 14.286 -1.965 21 HB2 SER 4 HB2 SER 4 59.170 13.916 -0.870 22 HB3 SER 4 HB1 SER 4 60.416 13.454 0.310 23 HG SER 4 HG SER 4 59.026 15.940 0.148 24 H ILE 5 HN ILE 5 60.451 15.533 -3.524 25 HA ILE 5 HA ILE 5 60.401 18.421 -3.169 26 HB ILE 5 HB ILE 5 59.161 16.906 -5.504 27 HG12 ILE 5 HG12 ILE 5 62.105 17.518 -4.969 28 HG13 ILE 5 HG11 ILE 5 61.366 15.905 -5.088 29 HG21 ILE 5 HG21 ILE 5 60.765 19.495 -5.493 30 HG22 ILE 5 HG22 ILE 5 59.011 19.475 -5.193 31 HG23 ILE 5 HG23 ILE 5 59.654 18.885 -6.744 32 HD11 ILE 5 HD1 ILE 5 62.333 16.278 -7.229 33 HD12 ILE 5 HD2 ILE 5 61.765 17.962 -7.286 34 HD13 ILE 5 HD3 ILE 5 60.602 16.625 -7.459 35 H PHE 6 HN PHE 6 57.879 15.947 -3.842 36 HA PHE 6 HA PHE 6 55.958 17.404 -2.171 37 HB2 PHE 6 HB2 PHE 6 55.700 17.380 -5.201 38 HB3 PHE 6 HB1 PHE 6 54.280 17.540 -4.142 39 HD1 PHE 6 HD1 PHE 6 54.583 19.331 -2.162 40 HD2 PHE 6 HD2 PHE 6 56.754 19.383 -5.895 41 HE1 PHE 6 HE1 PHE 6 55.035 21.761 -1.866 42 HE2 PHE 6 HE2 PHE 6 57.208 21.814 -5.594 43 HZ PHE 6 HZ PHE 6 56.366 22.998 -3.571 44 H LYS 7 HN LYS 7 57.199 14.678 -3.727 45 HA LYS 7 HA LYS 7 54.938 13.013 -4.046 46 HB2 LYS 7 HB2 LYS 7 57.436 12.559 -4.590 47 HB3 LYS 7 HB1 LYS 7 57.575 12.030 -2.900 48 HG2 LYS 7 HG2 LYS 7 57.055 9.992 -3.936 49 HG3 LYS 7 HG1 LYS 7 55.425 10.554 -3.503 50 HD2 LYS 7 HD2 LYS 7 55.118 11.464 -5.785 51 HD3 LYS 7 HD1 LYS 7 56.771 10.967 -6.216 52 HE2 LYS 7 HE2 LYS 7 56.177 8.603 -5.786 53 HE3 LYS 7 HE1 LYS 7 54.525 9.096 -5.342 54 HZ1 LYS 7 HZ1 LYS 7 53.960 9.364 -7.474 55 HZ2 LYS 7 HZ2 LYS 7 55.331 8.425 -7.833 56 HZ3 LYS 7 HZ3 LYS 7 55.420 10.122 -7.889 57 H HIS 8 HN HIS 8 57.170 12.858 -1.232 58 HA HIS 8 HA HIS 8 55.015 11.692 0.414 59 HB2 HIS 8 HB2 HIS 8 57.379 10.919 0.584 60 HB3 HIS 8 HB1 HIS 8 57.842 12.535 1.172 61 HD1 HIS 8 HD1 HIS 8 55.127 9.941 2.064 62 HD2 HIS 8 HD2 HIS 8 57.861 12.542 3.922 63 HE1 HIS 8 HE1 HIS 8 54.841 9.670 4.589 64 H GLY 9 HN GLY 9 53.742 13.793 -0.062 65 HA2 GLY 9 HA1 GLY 9 53.869 15.392 2.389 66 HA3 GLY 9 HA2 GLY 9 54.297 16.301 0.926 67 H ARG 10 HN ARG 10 52.445 14.467 -0.650 68 HA ARG 10 HA ARG 10 49.776 15.194 0.400 69 HB2 ARG 10 HB2 ARG 10 49.160 16.419 -1.690 70 HB3 ARG 10 HB1 ARG 10 50.386 17.274 -0.724 71 HG2 ARG 10 HG2 ARG 10 52.171 16.279 -2.171 72 HG3 ARG 10 HG1 ARG 10 50.902 15.541 -3.179 73 HD2 ARG 10 HD2 ARG 10 51.222 18.529 -2.655 74 HD3 ARG 10 HD1 ARG 10 51.699 17.687 -4.148 75 HE ARG 10 HE ARG 10 48.916 17.188 -3.516 76 HH11 ARG 10 HH11 ARG 10 49.910 20.242 -3.496 77 HH12 ARG 10 HH12 ARG 10 49.290 20.716 -5.043 78 HH21 ARG 10 HH21 ARG 10 48.639 17.469 -6.072 79 HH22 ARG 10 HH22 ARG 10 48.570 19.147 -6.501 80 H HIS 11 HN HIS 11 51.649 12.919 -0.641 81 HA HIS 11 HA HIS 11 49.481 11.343 -1.735 82 HB2 HIS 11 HB2 HIS 11 50.107 12.608 -3.790 83 HB3 HIS 11 HB1 HIS 11 51.775 12.009 -3.621 84 HD1 HIS 11 HD1 HIS 11 52.300 9.741 -4.575 85 HD2 HIS 11 HD2 HIS 11 48.167 10.357 -4.106 86 HE1 HIS 11 HE1 HIS 11 51.106 7.766 -5.671 87 H ALA 12 HN ALA 12 49.765 9.302 -1.751 88 HA ALA 12 HA ALA 12 50.598 7.244 -1.207 89 HB1 ALA 12 HB1 ALA 12 53.135 8.610 -0.789 90 HB2 ALA 12 HB2 ALA 12 52.617 8.166 -2.419 91 HB3 ALA 12 HB3 ALA 12 52.925 6.915 -1.189 92 H ALA 13 HN ALA 13 51.711 10.136 0.481 93 HA ALA 13 HA ALA 13 51.972 8.775 3.062 94 HB1 ALA 13 HB1 ALA 13 52.749 11.042 3.189 95 HB2 ALA 13 HB2 ALA 13 51.075 11.188 3.776 96 HB3 ALA 13 HB3 ALA 13 51.473 11.629 2.097 97 H LYS 14 HN LYS 14 50.350 8.899 0.325 98 HA LYS 14 HA LYS 14 47.512 8.543 1.589 99 HB2 LYS 14 HB2 LYS 14 48.143 10.330 -0.217 100 HB3 LYS 14 HB1 LYS 14 48.390 8.907 -1.297 101 HG2 LYS 14 HG2 LYS 14 46.097 8.599 -1.553 102 HG3 LYS 14 HG1 LYS 14 45.737 8.955 0.150 103 HD2 LYS 14 HD2 LYS 14 46.005 11.386 -0.315 104 HD3 LYS 14 HD1 LYS 14 46.324 11.010 -2.026 105 HE2 LYS 14 HE2 LYS 14 43.786 10.199 -0.546 106 HE3 LYS 14 HE1 LYS 14 43.928 11.654 -1.562 107 HZ1 LYS 14 HZ1 LYS 14 44.942 9.570 -3.066 108 HZ2 LYS 14 HZ2 LYS 14 43.455 10.363 -3.284 109 HZ3 LYS 14 HZ3 LYS 14 43.539 8.949 -2.346 110 H HIS 15 HN HIS 15 46.283 7.304 -0.382 111 HA HIS 15 HA HIS 15 45.766 5.074 -0.884 112 HB2 HIS 15 HB2 HIS 15 48.313 5.664 -2.434 113 HB3 HIS 15 HB1 HIS 15 47.226 4.296 -2.776 114 HD1 HIS 15 HD1 HIS 15 47.836 7.685 -3.804 115 HD2 HIS 15 HD2 HIS 15 44.351 5.466 -3.026 116 HE1 HIS 15 HE1 HIS 15 45.907 8.848 -5.009 117 H ILE 16 HN ILE 16 47.717 5.464 1.438 118 HA ILE 16 HA ILE 16 47.990 2.909 2.197 119 HB ILE 16 HB ILE 16 49.542 2.255 0.518 120 HG12 ILE 16 HG12 ILE 16 51.384 3.051 2.807 121 HG13 ILE 16 HG11 ILE 16 50.171 1.766 2.993 122 HG21 ILE 16 HG21 ILE 16 51.669 3.649 0.143 123 HG22 ILE 16 HG22 ILE 16 50.915 4.904 1.127 124 HG23 ILE 16 HG23 ILE 16 50.175 4.433 -0.413 125 HD11 ILE 16 HD1 ILE 16 52.105 0.572 2.359 126 HD12 ILE 16 HD2 ILE 16 52.624 1.819 1.207 127 HD13 ILE 16 HD3 ILE 16 51.253 0.757 0.811 128 H GLY 17 HN GLY 17 49.547 5.831 2.067 129 HA2 GLY 17 HA1 GLY 17 50.286 5.762 4.915 130 HA3 GLY 17 HA2 GLY 17 50.404 7.162 3.829 131 H HIS 18 HN HIS 18 47.611 6.138 2.841 132 HA HIS 18 HA HIS 18 46.056 7.788 4.823 133 HB2 HIS 18 HB2 HIS 18 45.774 7.001 1.951 134 HB3 HIS 18 HB1 HIS 18 44.248 6.990 2.855 135 HD1 HIS 18 HD1 HIS 18 43.442 9.086 1.479 136 HD2 HIS 18 HD2 HIS 18 46.903 9.746 3.774 137 HE1 HIS 18 HE1 HIS 18 43.783 11.612 1.636 138 H ALA 19 HN ALA 19 46.040 4.518 3.284 139 HA ALA 19 HA ALA 19 45.440 3.023 5.552 140 HB1 ALA 19 HB1 ALA 19 42.839 2.711 5.109 141 HB2 ALA 19 HB2 ALA 19 42.965 4.355 4.438 142 HB3 ALA 19 HB3 ALA 19 43.408 4.045 6.135 143 H ALA 20 HN ALA 20 46.221 3.299 2.516 144 HA ALA 20 HA ALA 20 46.367 1.843 0.714 145 HB1 ALA 20 HB1 ALA 20 45.577 -0.320 2.695 146 HB2 ALA 20 HB2 ALA 20 47.222 0.346 2.562 147 HB3 ALA 20 HB3 ALA 20 46.495 -0.514 1.185 148 H VAL 21 HN VAL 21 43.691 2.868 2.001 149 HA VAL 21 HA VAL 21 41.939 1.495 -0.005 150 HB VAL 21 HB VAL 21 41.259 1.925 2.943 151 HG11 VAL 21 HG11 VAL 21 39.104 0.672 2.160 152 HG12 VAL 21 HG12 VAL 21 39.578 1.174 0.519 153 HG13 VAL 21 HG13 VAL 21 39.247 2.400 1.769 154 HG21 VAL 21 HG21 VAL 21 40.987 -0.552 2.934 155 HG22 VAL 21 HG22 VAL 21 42.646 -0.077 2.501 156 HG23 VAL 21 HG23 VAL 21 41.510 -0.595 1.233 157 H ASN 22 HN ASN 22 43.186 4.207 1.538 158 HA ASN 22 HA ASN 22 42.898 6.414 0.596 159 HB2 ASN 22 HB2 ASN 22 41.015 5.631 -0.943 160 HB3 ASN 22 HB1 ASN 22 39.906 5.893 0.432 161 HD21 ASN 22 HD21 ASN 22 41.335 7.415 -2.271 162 HD22 ASN 22 HD22 ASN 22 41.058 9.087 -1.774 163 H HIS 23 HN HIS 23 40.713 4.779 2.823 164 HA HIS 23 HA HIS 23 40.340 5.264 5.073 165 HB2 HIS 23 HB2 HIS 23 42.601 6.653 4.844 166 HB3 HIS 23 HB1 HIS 23 41.512 8.056 4.859 167 HD1 HIS 23 HD1 HIS 23 39.511 6.114 6.816 168 HD2 HIS 23 HD2 HIS 23 43.406 7.535 7.521 169 HE1 HIS 23 HE1 HIS 23 39.861 6.156 9.347 170 H TYR 24 HN TYR 24 39.227 6.735 2.351 171 HA TYR 24 HA TYR 24 37.499 8.766 3.551 172 HB2 TYR 24 HB2 TYR 24 38.246 8.914 1.204 173 HB3 TYR 24 HB1 TYR 24 37.384 7.403 0.830 174 HD1 TYR 24 HD1 TYR 24 34.989 7.369 0.525 175 HD2 TYR 24 HD2 TYR 24 36.957 10.948 1.924 176 HE1 TYR 24 HE1 TYR 24 32.888 8.663 0.174 177 HE2 TYR 24 HE2 TYR 24 34.855 12.240 1.573 178 HH TYR 24 HH TYR 24 32.746 12.170 0.747 179 H LEU 25 HN LEU 25 37.488 5.398 3.556 180 HA LEU 25 HA LEU 25 35.850 3.821 4.022 181 HB2 LEU 25 HB2 LEU 25 34.224 6.083 5.232 182 HB3 LEU 25 HB1 LEU 25 34.327 4.383 5.751 183 HG LEU 25 HG LEU 25 36.541 6.475 5.922 184 HD11 LEU 25 HD11 LEU 25 34.678 6.622 7.607 185 HD12 LEU 25 HD12 LEU 25 36.256 6.232 8.335 186 HD13 LEU 25 HD13 LEU 25 35.042 4.951 8.098 187 HD21 LEU 25 HD21 LEU 25 37.691 4.563 7.231 188 HD22 LEU 25 HD22 LEU 25 37.628 4.389 5.462 189 HD23 LEU 25 HD23 LEU 25 36.489 3.480 6.487 Start of MODEL 42 1 H1 GLY 1 HT1 GLY 1 69.323 19.893 -6.474 2 H2 GLY 1 HT2 GLY 1 68.146 20.468 -7.556 3 H3 GLY 1 HT3 GLY 1 67.936 18.969 -6.783 4 HA2 GLY 1 HA1 GLY 1 68.358 20.975 -4.875 5 HA3 GLY 1 HA2 GLY 1 67.046 21.436 -5.978 6 H TRP 2 HN TRP 2 65.100 20.853 -5.330 7 HA TRP 2 HA TRP 2 64.707 18.997 -3.158 8 HB2 TRP 2 HB2 TRP 2 62.785 20.205 -5.185 9 HB3 TRP 2 HB1 TRP 2 62.274 19.221 -3.792 10 HD1 TRP 2 HD1 TRP 2 62.766 20.217 -1.343 11 HE1 TRP 2 HE1 TRP 2 63.040 22.659 -0.486 12 HE3 TRP 2 HE3 TRP 2 63.637 22.550 -5.815 13 HZ2 TRP 2 HZ2 TRP 2 63.567 25.253 -1.619 14 HZ3 TRP 2 HZ3 TRP 2 64.024 25.009 -5.904 15 HH2 TRP 2 HH2 TRP 2 63.988 26.361 -3.812 16 H GLY 3 HN GLY 3 63.656 18.782 -6.595 17 HA2 GLY 3 HA1 GLY 3 63.611 16.929 -7.998 18 HA3 GLY 3 HA2 GLY 3 64.526 16.013 -6.785 19 H SER 4 HN SER 4 61.694 17.585 -5.625 20 HA SER 4 HA SER 4 59.817 15.458 -6.269 21 HB2 SER 4 HB2 SER 4 59.568 14.653 -3.896 22 HB3 SER 4 HB1 SER 4 61.094 14.169 -4.670 23 HG SER 4 HG SER 4 60.817 15.452 -2.420 24 H ILE 5 HN ILE 5 58.272 16.936 -6.735 25 HA ILE 5 HA ILE 5 57.820 19.313 -5.167 26 HB ILE 5 HB ILE 5 55.748 17.915 -6.912 27 HG12 ILE 5 HG12 ILE 5 58.065 19.732 -7.726 28 HG13 ILE 5 HG11 ILE 5 57.868 18.019 -8.160 29 HG21 ILE 5 HG21 ILE 5 56.290 20.886 -6.509 30 HG22 ILE 5 HG22 ILE 5 55.184 19.969 -5.458 31 HG23 ILE 5 HG23 ILE 5 54.841 20.116 -7.196 32 HD11 ILE 5 HD1 ILE 5 55.591 18.748 -9.197 33 HD12 ILE 5 HD2 ILE 5 57.079 19.189 -10.068 34 HD13 ILE 5 HD3 ILE 5 56.233 20.404 -9.084 35 H PHE 6 HN PHE 6 57.883 18.281 -3.012 36 HA PHE 6 HA PHE 6 56.822 17.468 -1.115 37 HB2 PHE 6 HB2 PHE 6 54.421 18.579 -2.617 38 HB3 PHE 6 HB1 PHE 6 54.385 18.055 -0.918 39 HD1 PHE 6 HD1 PHE 6 55.245 20.749 -3.195 40 HD2 PHE 6 HD2 PHE 6 56.024 19.136 0.733 41 HE1 PHE 6 HE1 PHE 6 56.167 22.948 -2.475 42 HE2 PHE 6 HE2 PHE 6 56.945 21.336 1.453 43 HZ PHE 6 HZ PHE 6 56.951 23.261 -0.129 44 H LYS 7 HN LYS 7 56.776 15.894 -3.879 45 HA LYS 7 HA LYS 7 54.572 14.129 -3.864 46 HB2 LYS 7 HB2 LYS 7 57.480 13.577 -4.582 47 HB3 LYS 7 HB1 LYS 7 56.108 12.523 -5.000 48 HG2 LYS 7 HG2 LYS 7 55.049 14.425 -6.224 49 HG3 LYS 7 HG1 LYS 7 56.476 15.426 -5.861 50 HD2 LYS 7 HD2 LYS 7 57.897 13.659 -7.000 51 HD3 LYS 7 HD1 LYS 7 56.387 12.875 -7.522 52 HE2 LYS 7 HE2 LYS 7 57.422 15.635 -8.260 53 HE3 LYS 7 HE1 LYS 7 57.023 14.281 -9.345 54 HZ1 LYS 7 HZ1 LYS 7 55.249 15.861 -9.403 55 HZ2 LYS 7 HZ2 LYS 7 55.125 15.890 -7.708 56 HZ3 LYS 7 HZ3 LYS 7 54.691 14.491 -8.571 57 H HIS 8 HN HIS 8 57.750 13.776 -2.230 58 HA HIS 8 HA HIS 8 56.883 11.345 -0.843 59 HB2 HIS 8 HB2 HIS 8 59.063 11.523 0.296 60 HB3 HIS 8 HB1 HIS 8 59.246 11.717 -1.463 61 HD1 HIS 8 HD1 HIS 8 61.524 12.916 -0.062 62 HD2 HIS 8 HD2 HIS 8 57.923 15.034 -0.549 63 HE1 HIS 8 HE1 HIS 8 62.054 15.397 0.234 64 H GLY 9 HN GLY 9 55.000 13.315 -0.362 65 HA2 GLY 9 HA1 GLY 9 54.955 13.317 2.516 66 HA3 GLY 9 HA2 GLY 9 55.382 14.930 1.910 67 H ARG 10 HN ARG 10 53.499 13.234 -0.329 68 HA ARG 10 HA ARG 10 50.893 14.125 0.816 69 HB2 ARG 10 HB2 ARG 10 51.985 15.109 -1.855 70 HB3 ARG 10 HB1 ARG 10 50.321 15.348 -1.269 71 HG2 ARG 10 HG2 ARG 10 51.314 16.485 0.780 72 HG3 ARG 10 HG1 ARG 10 52.892 16.427 -0.042 73 HD2 ARG 10 HD2 ARG 10 51.898 18.594 -0.497 74 HD3 ARG 10 HD1 ARG 10 51.834 17.636 -1.995 75 HE ARG 10 HE ARG 10 49.403 17.309 -0.459 76 HH11 ARG 10 HH11 ARG 10 48.070 19.350 -0.437 77 HH12 ARG 10 HH12 ARG 10 48.012 20.185 -1.953 78 HH21 ARG 10 HH21 ARG 10 50.670 18.427 -3.323 79 HH22 ARG 10 HH22 ARG 10 49.485 19.663 -3.587 80 H HIS 11 HN HIS 11 52.495 11.645 -0.094 81 HA HIS 11 HA HIS 11 50.175 10.352 -1.382 82 HB2 HIS 11 HB2 HIS 11 52.892 10.513 -2.745 83 HB3 HIS 11 HB1 HIS 11 51.617 9.356 -3.194 84 HD1 HIS 11 HD1 HIS 11 52.167 13.144 -2.874 85 HD2 HIS 11 HD2 HIS 11 49.699 10.409 -4.904 86 HE1 HIS 11 HE1 HIS 11 50.760 14.478 -4.537 87 H ALA 12 HN ALA 12 50.048 8.292 -1.222 88 HA ALA 12 HA ALA 12 50.308 6.192 -0.361 89 HB1 ALA 12 HB1 ALA 12 52.887 7.123 0.614 90 HB2 ALA 12 HB2 ALA 12 52.702 6.611 -1.067 91 HB3 ALA 12 HB3 ALA 12 52.449 5.460 0.270 92 H ALA 13 HN ALA 13 51.537 9.007 1.377 93 HA ALA 13 HA ALA 13 50.911 7.910 4.018 94 HB1 ALA 13 HB1 ALA 13 52.182 10.070 3.851 95 HB2 ALA 13 HB2 ALA 13 50.586 10.360 4.583 96 HB3 ALA 13 HB3 ALA 13 50.869 10.768 2.874 97 H LYS 14 HN LYS 14 50.032 8.018 0.962 98 HA LYS 14 HA LYS 14 46.962 8.305 1.490 99 HB2 LYS 14 HB2 LYS 14 48.338 9.750 -0.205 100 HB3 LYS 14 HB1 LYS 14 48.550 8.197 -1.098 101 HG2 LYS 14 HG2 LYS 14 46.366 8.253 -1.896 102 HG3 LYS 14 HG1 LYS 14 45.696 8.883 -0.375 103 HD2 LYS 14 HD2 LYS 14 46.507 11.148 -0.946 104 HD3 LYS 14 HD1 LYS 14 47.215 10.520 -2.454 105 HE2 LYS 14 HE2 LYS 14 44.262 10.246 -1.765 106 HE3 LYS 14 HE1 LYS 14 44.920 11.606 -2.706 107 HZ1 LYS 14 HZ1 LYS 14 44.603 8.802 -3.451 108 HZ2 LYS 14 HZ2 LYS 14 46.013 9.573 -4.003 109 HZ3 LYS 14 HZ3 LYS 14 44.486 10.201 -4.403 110 H HIS 15 HN HIS 15 46.011 7.104 -0.643 111 HA HIS 15 HA HIS 15 45.195 4.958 -1.137 112 HB2 HIS 15 HB2 HIS 15 46.873 5.609 -2.878 113 HB3 HIS 15 HB1 HIS 15 48.105 4.695 -1.976 114 HD1 HIS 15 HD1 HIS 15 44.665 4.148 -3.598 115 HD2 HIS 15 HD2 HIS 15 48.179 2.029 -2.693 116 HE1 HIS 15 HE1 HIS 15 44.390 1.785 -4.529 117 H ILE 16 HN ILE 16 46.559 5.233 1.583 118 HA ILE 16 HA ILE 16 46.162 2.763 2.524 119 HB ILE 16 HB ILE 16 47.904 1.661 1.342 120 HG12 ILE 16 HG12 ILE 16 49.463 2.333 3.859 121 HG13 ILE 16 HG11 ILE 16 47.902 1.507 4.015 122 HG21 ILE 16 HG21 ILE 16 49.596 4.095 2.058 123 HG22 ILE 16 HG22 ILE 16 49.136 3.578 0.427 124 HG23 ILE 16 HG23 ILE 16 50.287 2.622 1.378 125 HD11 ILE 16 HD1 ILE 16 48.724 -0.260 2.419 126 HD12 ILE 16 HD2 ILE 16 49.670 -0.167 3.922 127 HD13 ILE 16 HD3 ILE 16 50.316 0.535 2.422 128 H GLY 17 HN GLY 17 48.290 5.300 2.614 129 HA2 GLY 17 HA1 GLY 17 48.310 5.422 5.550 130 HA3 GLY 17 HA2 GLY 17 48.954 6.648 4.439 131 H HIS 18 HN HIS 18 46.307 6.055 2.858 132 HA HIS 18 HA HIS 18 44.734 8.182 4.283 133 HB2 HIS 18 HB2 HIS 18 44.949 7.141 1.498 134 HB3 HIS 18 HB1 HIS 18 43.281 7.464 1.999 135 HD1 HIS 18 HD1 HIS 18 43.138 9.512 0.381 136 HD2 HIS 18 HD2 HIS 18 46.125 9.853 3.319 137 HE1 HIS 18 HE1 HIS 18 43.871 11.958 0.440 138 H ALA 19 HN ALA 19 44.404 4.753 3.139 139 HA ALA 19 HA ALA 19 42.634 4.175 5.387 140 HB1 ALA 19 HB1 ALA 19 41.151 5.558 3.823 141 HB2 ALA 19 HB2 ALA 19 40.534 3.957 4.295 142 HB3 ALA 19 HB3 ALA 19 41.261 4.192 2.685 143 H ALA 20 HN ALA 20 44.964 2.945 4.301 144 HA ALA 20 HA ALA 20 45.679 0.786 3.860 145 HB1 ALA 20 HB1 ALA 20 44.323 -1.031 4.417 146 HB2 ALA 20 HB2 ALA 20 42.844 -0.257 3.803 147 HB3 ALA 20 HB3 ALA 20 43.562 0.286 5.338 148 H VAL 21 HN VAL 21 43.230 2.363 1.939 149 HA VAL 21 HA VAL 21 44.398 1.098 -0.488 150 HB VAL 21 HB VAL 21 41.385 1.104 0.006 151 HG11 VAL 21 HG11 VAL 21 43.156 0.113 -2.272 152 HG12 VAL 21 HG12 VAL 21 41.940 1.411 -2.344 153 HG13 VAL 21 HG13 VAL 21 41.427 -0.276 -2.116 154 HG21 VAL 21 HG21 VAL 21 41.710 -1.422 -0.072 155 HG22 VAL 21 HG22 VAL 21 42.372 -0.634 1.378 156 HG23 VAL 21 HG23 VAL 21 43.461 -1.131 0.060 157 H ASN 22 HN ASN 22 42.374 3.519 1.094 158 HA ASN 22 HA ASN 22 43.204 5.804 -0.103 159 HB2 ASN 22 HB2 ASN 22 42.919 5.262 -2.380 160 HB3 ASN 22 HB1 ASN 22 41.448 4.312 -2.076 161 HD21 ASN 22 HD21 ASN 22 40.099 5.472 -3.581 162 HD22 ASN 22 HD22 ASN 22 39.666 7.165 -3.327 163 H HIS 23 HN HIS 23 40.117 3.997 0.188 164 HA HIS 23 HA HIS 23 39.228 5.644 2.387 165 HB2 HIS 23 HB2 HIS 23 38.912 7.314 0.593 166 HB3 HIS 23 HB1 HIS 23 37.905 6.155 -0.308 167 HD1 HIS 23 HD1 HIS 23 37.863 6.885 3.458 168 HD2 HIS 23 HD2 HIS 23 35.350 7.156 0.096 169 HE1 HIS 23 HE1 HIS 23 35.562 7.629 4.286 170 H TYR 24 HN TYR 24 39.312 2.906 0.669 171 HA TYR 24 HA TYR 24 36.542 2.026 0.824 172 HB2 TYR 24 HB2 TYR 24 38.326 1.103 -0.730 173 HB3 TYR 24 HB1 TYR 24 39.045 0.302 0.687 174 HD1 TYR 24 HD1 TYR 24 38.075 -1.699 1.607 175 HD2 TYR 24 HD2 TYR 24 35.946 0.560 -1.394 176 HE1 TYR 24 HE1 TYR 24 36.427 -3.554 1.379 177 HE2 TYR 24 HE2 TYR 24 34.299 -1.296 -1.621 178 HH TYR 24 HH TYR 24 34.152 -3.611 -1.278 179 H LEU 25 HN LEU 25 38.366 2.979 3.257 180 HA LEU 25 HA LEU 25 36.973 1.315 5.193 181 HB2 LEU 25 HB2 LEU 25 39.056 -0.049 4.315 182 HB3 LEU 25 HB1 LEU 25 39.993 1.055 5.344 183 HG LEU 25 HG LEU 25 37.661 -0.691 6.267 184 HD11 LEU 25 HD11 LEU 25 39.751 -1.936 5.684 185 HD12 LEU 25 HD12 LEU 25 39.384 -1.999 7.424 186 HD13 LEU 25 HD13 LEU 25 40.653 -0.907 6.820 187 HD21 LEU 25 HD21 LEU 25 38.677 0.022 8.570 188 HD22 LEU 25 HD22 LEU 25 37.672 1.203 7.704 189 HD23 LEU 25 HD23 LEU 25 39.446 1.345 7.660 Start of MODEL 43 1 H1 GLY 1 HT1 GLY 1 62.681 26.436 0.182 2 H2 GLY 1 HT2 GLY 1 62.041 25.198 -0.789 3 H3 GLY 1 HT3 GLY 1 62.470 24.882 0.825 4 HA2 GLY 1 HA1 GLY 1 60.800 26.559 1.498 5 HA3 GLY 1 HA2 GLY 1 60.257 26.527 -0.190 6 H TRP 2 HN TRP 2 61.411 23.515 0.285 7 HA TRP 2 HA TRP 2 59.147 22.385 1.798 8 HB2 TRP 2 HB2 TRP 2 59.413 21.827 -1.185 9 HB3 TRP 2 HB1 TRP 2 58.249 21.076 -0.067 10 HD1 TRP 2 HD1 TRP 2 58.881 24.197 -2.087 11 HE1 TRP 2 HE1 TRP 2 56.868 25.831 -1.883 12 HE3 TRP 2 HE3 TRP 2 56.319 21.854 1.675 13 HZ2 TRP 2 HZ2 TRP 2 54.481 26.060 -0.287 14 HZ3 TRP 2 HZ3 TRP 2 54.177 22.799 2.522 15 HH2 TRP 2 HH2 TRP 2 53.256 24.897 1.546 16 H GLY 3 HN GLY 3 59.638 20.435 2.637 17 HA2 GLY 3 HA1 GLY 3 62.377 19.499 2.320 18 HA3 GLY 3 HA2 GLY 3 61.113 18.782 3.339 19 H SER 4 HN SER 4 59.775 19.136 0.330 20 HA SER 4 HA SER 4 60.983 16.809 -0.977 21 HB2 SER 4 HB2 SER 4 58.250 16.553 0.334 22 HB3 SER 4 HB1 SER 4 58.890 15.428 -0.885 23 HG SER 4 HG SER 4 59.756 15.932 1.754 24 H ILE 5 HN ILE 5 60.018 16.331 -3.037 25 HA ILE 5 HA ILE 5 58.986 18.762 -4.311 26 HB ILE 5 HB ILE 5 59.240 15.981 -5.536 27 HG12 ILE 5 HG12 ILE 5 61.376 16.420 -4.521 28 HG13 ILE 5 HG11 ILE 5 61.557 16.769 -6.250 29 HG21 ILE 5 HG21 ILE 5 58.131 17.330 -7.105 30 HG22 ILE 5 HG22 ILE 5 59.825 17.560 -7.580 31 HG23 ILE 5 HG23 ILE 5 58.992 18.806 -6.627 32 HD11 ILE 5 HD1 ILE 5 62.618 18.590 -5.137 33 HD12 ILE 5 HD2 ILE 5 61.311 18.731 -3.941 34 HD13 ILE 5 HD3 ILE 5 61.035 19.232 -5.624 35 H PHE 6 HN PHE 6 57.125 18.349 -2.523 36 HA PHE 6 HA PHE 6 54.923 17.723 -2.100 37 HB2 PHE 6 HB2 PHE 6 53.378 18.240 -4.013 38 HB3 PHE 6 HB1 PHE 6 54.543 19.533 -3.647 39 HD1 PHE 6 HD1 PHE 6 56.282 20.141 -5.219 40 HD2 PHE 6 HD2 PHE 6 53.728 16.746 -5.985 41 HE1 PHE 6 HE1 PHE 6 57.123 20.036 -7.562 42 HE2 PHE 6 HE2 PHE 6 54.572 16.640 -8.328 43 HZ PHE 6 HZ PHE 6 56.219 18.327 -9.133 44 H LYS 7 HN LYS 7 56.820 15.568 -3.216 45 HA LYS 7 HA LYS 7 54.908 13.735 -4.554 46 HB2 LYS 7 HB2 LYS 7 57.385 13.927 -5.134 47 HB3 LYS 7 HB1 LYS 7 57.726 13.141 -3.576 48 HG2 LYS 7 HG2 LYS 7 56.144 11.270 -4.311 49 HG3 LYS 7 HG1 LYS 7 56.156 12.011 -5.928 50 HD2 LYS 7 HD2 LYS 7 58.617 11.054 -4.396 51 HD3 LYS 7 HD1 LYS 7 57.845 10.198 -5.750 52 HE2 LYS 7 HE2 LYS 7 59.586 11.365 -6.826 53 HE3 LYS 7 HE1 LYS 7 58.211 12.471 -7.053 54 HZ1 LYS 7 HZ1 LYS 7 59.260 14.009 -5.871 55 HZ2 LYS 7 HZ2 LYS 7 60.628 13.005 -5.800 56 HZ3 LYS 7 HZ3 LYS 7 59.470 12.957 -4.557 57 H HIS 8 HN HIS 8 56.993 13.654 -1.620 58 HA HIS 8 HA HIS 8 55.115 11.636 -0.422 59 HB2 HIS 8 HB2 HIS 8 57.585 11.143 -0.548 60 HB3 HIS 8 HB1 HIS 8 57.863 12.524 0.540 61 HD1 HIS 8 HD1 HIS 8 57.850 11.986 2.974 62 HD2 HIS 8 HD2 HIS 8 55.620 9.209 0.736 63 HE1 HIS 8 HE1 HIS 8 57.027 10.190 4.594 64 H GLY 9 HN GLY 9 53.760 13.839 -0.401 65 HA2 GLY 9 HA1 GLY 9 53.704 14.608 2.423 66 HA3 GLY 9 HA2 GLY 9 54.186 15.929 1.339 67 H ARG 10 HN ARG 10 52.456 14.537 -0.801 68 HA ARG 10 HA ARG 10 49.742 15.266 0.267 69 HB2 ARG 10 HB2 ARG 10 50.837 16.202 -2.417 70 HB3 ARG 10 HB1 ARG 10 49.256 16.591 -1.700 71 HG2 ARG 10 HG2 ARG 10 50.369 17.766 0.163 72 HG3 ARG 10 HG1 ARG 10 51.961 17.350 -0.514 73 HD2 ARG 10 HD2 ARG 10 51.512 19.588 -1.235 74 HD3 ARG 10 HD1 ARG 10 51.222 18.557 -2.655 75 HE ARG 10 HE ARG 10 49.133 19.931 -1.029 76 HH11 ARG 10 HH11 ARG 10 47.166 18.429 -1.490 77 HH12 ARG 10 HH12 ARG 10 46.871 18.228 -3.184 78 HH21 ARG 10 HH21 ARG 10 49.988 19.411 -4.138 79 HH22 ARG 10 HH22 ARG 10 48.468 18.784 -4.684 80 H HIS 11 HN HIS 11 51.643 12.943 -0.910 81 HA HIS 11 HA HIS 11 49.374 11.402 -1.914 82 HB2 HIS 11 HB2 HIS 11 50.077 12.676 -3.968 83 HB3 HIS 11 HB1 HIS 11 51.691 11.942 -3.814 84 HD1 HIS 11 HD1 HIS 11 51.994 9.868 -5.151 85 HD2 HIS 11 HD2 HIS 11 47.984 10.427 -4.008 86 HE1 HIS 11 HE1 HIS 11 50.642 7.943 -6.149 87 H ALA 12 HN ALA 12 49.592 9.357 -1.867 88 HA ALA 12 HA ALA 12 50.383 7.283 -1.298 89 HB1 ALA 12 HB1 ALA 12 52.959 8.586 -0.924 90 HB2 ALA 12 HB2 ALA 12 52.419 8.129 -2.543 91 HB3 ALA 12 HB3 ALA 12 52.696 6.891 -1.292 92 H ALA 13 HN ALA 13 51.571 10.191 0.302 93 HA ALA 13 HA ALA 13 51.822 8.902 2.919 94 HB1 ALA 13 HB1 ALA 13 50.900 11.746 2.208 95 HB2 ALA 13 HB2 ALA 13 52.615 11.314 2.418 96 HB3 ALA 13 HB3 ALA 13 51.488 11.181 3.789 97 H LYS 14 HN LYS 14 50.185 8.977 0.190 98 HA LYS 14 HA LYS 14 47.346 8.717 1.477 99 HB2 LYS 14 HB2 LYS 14 47.994 10.447 -0.379 100 HB3 LYS 14 HB1 LYS 14 48.214 8.995 -1.423 101 HG2 LYS 14 HG2 LYS 14 45.918 8.695 -1.646 102 HG3 LYS 14 HG1 LYS 14 45.569 9.142 0.040 103 HD2 LYS 14 HD2 LYS 14 45.760 11.517 -0.505 104 HD3 LYS 14 HD1 LYS 14 46.279 11.130 -2.163 105 HE2 LYS 14 HE2 LYS 14 44.073 9.919 -2.481 106 HE3 LYS 14 HE1 LYS 14 43.564 10.561 -0.901 107 HZ1 LYS 14 HZ1 LYS 14 43.317 12.621 -1.731 108 HZ2 LYS 14 HZ2 LYS 14 43.191 11.826 -3.228 109 HZ3 LYS 14 HZ3 LYS 14 44.670 12.512 -2.749 110 H HIS 15 HN HIS 15 46.082 7.453 -0.458 111 HA HIS 15 HA HIS 15 45.522 5.227 -0.928 112 HB2 HIS 15 HB2 HIS 15 46.606 6.200 -2.956 113 HB3 HIS 15 HB1 HIS 15 48.154 5.502 -2.424 114 HD1 HIS 15 HD1 HIS 15 48.634 3.155 -3.139 115 HD2 HIS 15 HD2 HIS 15 44.523 4.037 -3.257 116 HE1 HIS 15 HE1 HIS 15 47.452 1.139 -4.172 117 H ILE 16 HN ILE 16 47.489 5.644 1.401 118 HA ILE 16 HA ILE 16 47.691 3.101 2.238 119 HB ILE 16 HB ILE 16 49.228 2.376 0.562 120 HG12 ILE 16 HG12 ILE 16 51.327 1.923 1.760 121 HG13 ILE 16 HG11 ILE 16 50.920 3.144 2.983 122 HG21 ILE 16 HG21 ILE 16 49.911 4.506 -0.426 123 HG22 ILE 16 HG22 ILE 16 51.383 3.695 0.153 124 HG23 ILE 16 HG23 ILE 16 50.668 5.001 1.101 125 HD11 ILE 16 HD1 ILE 16 49.121 0.767 2.352 126 HD12 ILE 16 HD2 ILE 16 49.029 1.860 3.753 127 HD13 ILE 16 HD3 ILE 16 50.382 0.717 3.604 128 H GLY 17 HN GLY 17 49.373 5.947 2.009 129 HA2 GLY 17 HA1 GLY 17 50.097 5.975 4.852 130 HA3 GLY 17 HA2 GLY 17 50.238 7.332 3.719 131 H HIS 18 HN HIS 18 47.391 6.352 2.806 132 HA HIS 18 HA HIS 18 45.936 8.115 4.772 133 HB2 HIS 18 HB2 HIS 18 45.554 7.258 1.928 134 HB3 HIS 18 HB1 HIS 18 44.055 7.347 2.873 135 HD1 HIS 18 HD1 HIS 18 46.945 9.673 3.630 136 HD2 HIS 18 HD2 HIS 18 43.279 9.770 1.570 137 HE1 HIS 18 HE1 HIS 18 46.424 12.121 3.118 138 H ALA 19 HN ALA 19 45.870 4.794 3.374 139 HA ALA 19 HA ALA 19 45.258 3.373 5.657 140 HB1 ALA 19 HB1 ALA 19 42.806 4.807 4.646 141 HB2 ALA 19 HB2 ALA 19 43.275 4.413 6.319 142 HB3 ALA 19 HB3 ALA 19 42.613 3.149 5.262 143 H ALA 20 HN ALA 20 45.925 3.583 2.585 144 HA ALA 20 HA ALA 20 46.000 2.076 0.820 145 HB1 ALA 20 HB1 ALA 20 46.131 -0.243 1.335 146 HB2 ALA 20 HB2 ALA 20 45.133 -0.056 2.797 147 HB3 ALA 20 HB3 ALA 20 46.787 0.599 2.757 148 H VAL 21 HN VAL 21 43.352 3.161 2.206 149 HA VAL 21 HA VAL 21 41.547 1.914 0.177 150 HB VAL 21 HB VAL 21 40.884 2.155 3.150 151 HG11 VAL 21 HG11 VAL 21 38.780 0.856 2.292 152 HG12 VAL 21 HG12 VAL 21 39.247 1.456 0.684 153 HG13 VAL 21 HG13 VAL 21 38.863 2.603 1.988 154 HG21 VAL 21 HG21 VAL 21 41.304 -0.262 1.329 155 HG22 VAL 21 HG22 VAL 21 40.674 -0.348 2.992 156 HG23 VAL 21 HG23 VAL 21 42.330 0.227 2.698 157 H ASN 22 HN ASN 22 42.842 4.493 1.886 158 HA ASN 22 HA ASN 22 42.534 6.767 1.160 159 HB2 ASN 22 HB2 ASN 22 40.631 6.098 -0.426 160 HB3 ASN 22 HB1 ASN 22 39.537 6.282 0.972 161 HD21 ASN 22 HD21 ASN 22 38.643 8.324 1.180 162 HD22 ASN 22 HD22 ASN 22 39.392 9.808 0.581 163 H HIS 23 HN HIS 23 40.334 4.949 3.251 164 HA HIS 23 HA HIS 23 41.077 6.556 5.541 165 HB2 HIS 23 HB2 HIS 23 39.492 8.120 4.341 166 HB3 HIS 23 HB1 HIS 23 38.210 6.907 4.579 167 HD1 HIS 23 HD1 HIS 23 36.801 7.470 6.546 168 HD2 HIS 23 HD2 HIS 23 40.833 8.496 7.166 169 HE1 HIS 23 HE1 HIS 23 36.985 8.446 8.901 170 H TYR 24 HN TYR 24 37.957 5.965 6.226 171 HA TYR 24 HA TYR 24 36.961 4.323 7.532 172 HB2 TYR 24 HB2 TYR 24 38.284 2.480 5.502 173 HB3 TYR 24 HB1 TYR 24 36.892 2.084 6.538 174 HD1 TYR 24 HD1 TYR 24 34.674 2.966 6.065 175 HD2 TYR 24 HD2 TYR 24 38.068 4.150 3.678 176 HE1 TYR 24 HE1 TYR 24 33.138 3.969 4.380 177 HE2 TYR 24 HE2 TYR 24 36.532 5.154 1.993 178 HH TYR 24 HH TYR 24 33.354 4.696 1.753 179 H LEU 25 HN LEU 25 39.840 5.121 8.079 180 HA LEU 25 HA LEU 25 41.363 2.904 8.942 181 HB2 LEU 25 HB2 LEU 25 41.871 5.496 8.889 182 HB3 LEU 25 HB1 LEU 25 41.271 5.469 10.560 183 HG LEU 25 HG LEU 25 43.546 3.765 9.439 184 HD11 LEU 25 HD11 LEU 25 44.011 6.224 9.769 185 HD12 LEU 25 HD12 LEU 25 44.993 5.164 10.809 186 HD13 LEU 25 HD13 LEU 25 43.590 6.025 11.486 187 HD21 LEU 25 HD21 LEU 25 42.557 2.450 11.155 188 HD22 LEU 25 HD22 LEU 25 42.161 3.873 12.149 189 HD23 LEU 25 HD23 LEU 25 43.850 3.329 12.001 Start of MODEL 44 1 H1 GLY 1 HT1 GLY 1 64.478 24.248 0.276 2 H2 GLY 1 HT2 GLY 1 66.158 24.461 0.413 3 H3 GLY 1 HT3 GLY 1 65.514 22.915 0.125 4 HA2 GLY 1 HA1 GLY 1 65.680 25.220 -1.677 5 HA3 GLY 1 HA2 GLY 1 66.325 23.582 -1.902 6 H TRP 2 HN TRP 2 65.281 22.501 -3.417 7 HA TRP 2 HA TRP 2 62.718 23.260 -4.427 8 HB2 TRP 2 HB2 TRP 2 64.094 20.549 -4.590 9 HB3 TRP 2 HB1 TRP 2 62.791 21.137 -5.651 10 HD1 TRP 2 HD1 TRP 2 66.512 21.409 -5.024 11 HE1 TRP 2 HE1 TRP 2 67.635 22.839 -6.884 12 HE3 TRP 2 HE3 TRP 2 62.301 23.190 -7.329 13 HZ2 TRP 2 HZ2 TRP 2 66.789 24.518 -9.064 14 HZ3 TRP 2 HZ3 TRP 2 62.483 24.705 -9.297 15 HH2 TRP 2 HH2 TRP 2 64.722 25.370 -10.165 16 H GLY 3 HN GLY 3 61.230 20.926 -4.644 17 HA2 GLY 3 HA1 GLY 3 60.743 19.727 -2.055 18 HA3 GLY 3 HA2 GLY 3 59.583 21.029 -2.387 19 H SER 4 HN SER 4 60.709 19.573 -5.244 20 HA SER 4 HA SER 4 59.562 18.300 -6.819 21 HB2 SER 4 HB2 SER 4 60.347 16.559 -5.146 22 HB3 SER 4 HB1 SER 4 58.721 16.623 -4.426 23 HG SER 4 HG SER 4 59.593 15.483 -6.775 24 H ILE 5 HN ILE 5 57.303 16.993 -7.103 25 HA ILE 5 HA ILE 5 55.276 19.097 -6.829 26 HB ILE 5 HB ILE 5 54.813 16.240 -7.789 27 HG12 ILE 5 HG12 ILE 5 55.919 18.638 -9.323 28 HG13 ILE 5 HG11 ILE 5 56.779 17.120 -8.974 29 HG21 ILE 5 HG21 ILE 5 52.970 17.185 -8.985 30 HG22 ILE 5 HG22 ILE 5 53.555 18.848 -8.735 31 HG23 ILE 5 HG23 ILE 5 52.894 17.921 -7.367 32 HD11 ILE 5 HD1 ILE 5 54.409 17.567 -10.821 33 HD12 ILE 5 HD2 ILE 5 54.818 15.944 -10.212 34 HD13 ILE 5 HD3 ILE 5 55.990 16.847 -11.199 35 H PHE 6 HN PHE 6 55.856 18.731 -4.324 36 HA PHE 6 HA PHE 6 55.011 18.144 -2.254 37 HB2 PHE 6 HB2 PHE 6 52.485 17.469 -3.813 38 HB3 PHE 6 HB1 PHE 6 52.601 17.790 -2.066 39 HD1 PHE 6 HD1 PHE 6 53.205 20.062 -1.235 40 HD2 PHE 6 HD2 PHE 6 52.558 19.278 -5.430 41 HE1 PHE 6 HE1 PHE 6 52.993 22.508 -1.660 42 HE2 PHE 6 HE2 PHE 6 52.344 21.725 -5.855 43 HZ PHE 6 HZ PHE 6 52.630 23.341 -3.980 44 H LYS 7 HN LYS 7 55.712 15.942 -4.570 45 HA LYS 7 HA LYS 7 54.535 13.533 -3.494 46 HB2 LYS 7 HB2 LYS 7 56.924 14.109 -5.281 47 HB3 LYS 7 HB1 LYS 7 56.512 12.454 -4.782 48 HG2 LYS 7 HG2 LYS 7 54.357 14.233 -5.971 49 HG3 LYS 7 HG1 LYS 7 55.529 13.450 -7.050 50 HD2 LYS 7 HD2 LYS 7 54.196 11.713 -4.955 51 HD3 LYS 7 HD1 LYS 7 53.209 12.237 -6.335 52 HE2 LYS 7 HE2 LYS 7 54.254 10.072 -6.829 53 HE3 LYS 7 HE1 LYS 7 54.935 11.323 -7.894 54 HZ1 LYS 7 HZ1 LYS 7 56.172 10.318 -5.378 55 HZ2 LYS 7 HZ2 LYS 7 56.827 11.507 -6.399 56 HZ3 LYS 7 HZ3 LYS 7 56.658 9.908 -6.949 57 H HIS 8 HN HIS 8 57.128 15.591 -2.506 58 HA HIS 8 HA HIS 8 58.641 13.560 -1.066 59 HB2 HIS 8 HB2 HIS 8 59.628 15.703 -1.851 60 HB3 HIS 8 HB1 HIS 8 58.594 16.580 -0.697 61 HD1 HIS 8 HD1 HIS 8 59.155 16.423 1.825 62 HD2 HIS 8 HD2 HIS 8 61.692 14.118 -0.610 63 HE1 HIS 8 HE1 HIS 8 61.141 15.702 3.261 64 H GLY 9 HN GLY 9 55.565 14.651 -0.570 65 HA2 GLY 9 HA1 GLY 9 55.276 13.497 1.969 66 HA3 GLY 9 HA2 GLY 9 55.626 15.209 2.264 67 H ARG 10 HN ARG 10 53.624 13.336 -0.071 68 HA ARG 10 HA ARG 10 51.151 14.327 1.017 69 HB2 ARG 10 HB2 ARG 10 52.226 16.409 -0.170 70 HB3 ARG 10 HB1 ARG 10 51.771 15.586 -1.677 71 HG2 ARG 10 HG2 ARG 10 49.407 15.407 -0.763 72 HG3 ARG 10 HG1 ARG 10 49.922 16.440 0.593 73 HD2 ARG 10 HD2 ARG 10 50.529 18.237 -0.953 74 HD3 ARG 10 HD1 ARG 10 50.154 17.202 -2.352 75 HE ARG 10 HE ARG 10 48.234 18.737 -0.891 76 HH11 ARG 10 HH11 ARG 10 47.822 17.438 -3.596 77 HH12 ARG 10 HH12 ARG 10 46.565 16.300 -3.246 78 HH21 ARG 10 HH21 ARG 10 47.009 16.465 0.190 79 HH22 ARG 10 HH22 ARG 10 46.104 15.749 -1.102 80 H HIS 11 HN HIS 11 52.349 11.855 0.176 81 HA HIS 11 HA HIS 11 50.135 10.802 -1.329 82 HB2 HIS 11 HB2 HIS 11 51.425 11.930 -3.194 83 HB3 HIS 11 HB1 HIS 11 52.782 10.837 -2.828 84 HD1 HIS 11 HD1 HIS 11 52.566 8.350 -3.479 85 HD2 HIS 11 HD2 HIS 11 49.112 10.608 -4.295 86 HE1 HIS 11 HE1 HIS 11 51.048 6.915 -4.950 87 H ALA 12 HN ALA 12 49.974 8.747 -1.384 88 HA ALA 12 HA ALA 12 50.243 6.558 -0.794 89 HB1 ALA 12 HB1 ALA 12 52.906 7.332 0.090 90 HB2 ALA 12 HB2 ALA 12 52.589 7.019 -1.619 91 HB3 ALA 12 HB3 ALA 12 52.406 5.726 -0.406 92 H ALA 13 HN ALA 13 51.652 9.133 1.163 93 HA ALA 13 HA ALA 13 51.196 7.753 3.701 94 HB1 ALA 13 HB1 ALA 13 50.871 10.181 4.501 95 HB2 ALA 13 HB2 ALA 13 51.228 10.703 2.837 96 HB3 ALA 13 HB3 ALA 13 52.473 9.865 3.795 97 H LYS 14 HN LYS 14 50.103 8.221 0.747 98 HA LYS 14 HA LYS 14 47.082 8.474 1.523 99 HB2 LYS 14 HB2 LYS 14 48.377 10.100 -0.079 100 HB3 LYS 14 HB1 LYS 14 48.487 8.665 -1.165 101 HG2 LYS 14 HG2 LYS 14 46.248 8.846 -1.782 102 HG3 LYS 14 HG1 LYS 14 45.709 9.317 -0.154 103 HD2 LYS 14 HD2 LYS 14 46.421 11.610 -0.517 104 HD3 LYS 14 HD1 LYS 14 47.209 11.174 -2.053 105 HE2 LYS 14 HE2 LYS 14 45.095 10.681 -3.096 106 HE3 LYS 14 HE1 LYS 14 44.234 10.781 -1.542 107 HZ1 LYS 14 HZ1 LYS 14 45.442 13.177 -1.665 108 HZ2 LYS 14 HZ2 LYS 14 43.852 12.879 -2.184 109 HZ3 LYS 14 HZ3 LYS 14 45.127 12.899 -3.308 110 H HIS 15 HN HIS 15 45.961 7.565 -0.656 111 HA HIS 15 HA HIS 15 45.061 5.517 -1.353 112 HB2 HIS 15 HB2 HIS 15 46.644 6.333 -3.119 113 HB3 HIS 15 HB1 HIS 15 47.898 5.281 -2.421 114 HD1 HIS 15 HD1 HIS 15 44.257 4.935 -3.642 115 HD2 HIS 15 HD2 HIS 15 47.866 2.775 -3.566 116 HE1 HIS 15 HE1 HIS 15 43.853 2.734 -4.874 117 H ILE 16 HN ILE 16 46.654 5.446 1.268 118 HA ILE 16 HA ILE 16 46.223 2.895 1.959 119 HB ILE 16 HB ILE 16 47.835 1.908 0.502 120 HG12 ILE 16 HG12 ILE 16 49.380 2.278 3.102 121 HG13 ILE 16 HG11 ILE 16 47.947 1.234 2.980 122 HG21 ILE 16 HG21 ILE 16 49.074 3.894 -0.237 123 HG22 ILE 16 HG22 ILE 16 50.248 2.789 0.500 124 HG23 ILE 16 HG23 ILE 16 49.658 4.179 1.413 125 HD11 ILE 16 HD1 ILE 16 49.276 0.162 0.925 126 HD12 ILE 16 HD2 ILE 16 49.670 -0.310 2.590 127 HD13 ILE 16 HD3 ILE 16 50.689 0.871 1.742 128 H GLY 17 HN GLY 17 48.412 5.372 2.175 129 HA2 GLY 17 HA1 GLY 17 48.697 5.112 5.085 130 HA3 GLY 17 HA2 GLY 17 49.269 6.461 4.087 131 H HIS 18 HN HIS 18 46.455 6.116 2.709 132 HA HIS 18 HA HIS 18 45.091 8.040 4.595 133 HB2 HIS 18 HB2 HIS 18 44.968 7.417 1.663 134 HB3 HIS 18 HB1 HIS 18 43.409 7.812 2.414 135 HD1 HIS 18 HD1 HIS 18 46.506 9.392 3.838 136 HD2 HIS 18 HD2 HIS 18 43.412 10.397 1.173 137 HE1 HIS 18 HE1 HIS 18 46.658 11.907 3.409 138 H ALA 19 HN ALA 19 44.641 4.874 2.956 139 HA ALA 19 HA ALA 19 43.434 3.467 4.979 140 HB1 ALA 19 HB1 ALA 19 40.878 3.781 4.238 141 HB2 ALA 19 HB2 ALA 19 41.448 5.405 3.788 142 HB3 ALA 19 HB3 ALA 19 41.604 4.839 5.468 143 H ALA 20 HN ALA 20 44.518 3.789 2.003 144 HA ALA 20 HA ALA 20 44.524 2.437 0.114 145 HB1 ALA 20 HB1 ALA 20 44.911 0.703 1.944 146 HB2 ALA 20 HB2 ALA 20 44.221 0.085 0.424 147 HB3 ALA 20 HB3 ALA 20 43.173 0.337 1.841 148 H VAL 21 HN VAL 21 42.026 3.880 1.317 149 HA VAL 21 HA VAL 21 40.185 3.083 -0.892 150 HB VAL 21 HB VAL 21 39.387 3.279 2.049 151 HG11 VAL 21 HG11 VAL 21 37.110 2.499 0.985 152 HG12 VAL 21 HG12 VAL 21 37.787 3.131 -0.535 153 HG13 VAL 21 HG13 VAL 21 37.560 4.212 0.861 154 HG21 VAL 21 HG21 VAL 21 39.407 0.955 0.066 155 HG22 VAL 21 HG22 VAL 21 38.667 0.890 1.684 156 HG23 VAL 21 HG23 VAL 21 40.422 1.122 1.518 157 H ASN 22 HN ASN 22 41.820 5.266 1.034 158 HA ASN 22 HA ASN 22 42.012 7.592 0.529 159 HB2 ASN 22 HB2 ASN 22 39.043 7.695 -0.102 160 HB3 ASN 22 HB1 ASN 22 40.272 8.940 -0.391 161 HD21 ASN 22 HD21 ASN 22 42.387 7.331 -1.465 162 HD22 ASN 22 HD22 ASN 22 41.842 6.691 -3.019 163 H HIS 23 HN HIS 23 39.238 6.132 2.156 164 HA HIS 23 HA HIS 23 39.924 7.505 4.632 165 HB2 HIS 23 HB2 HIS 23 38.680 9.283 3.287 166 HB3 HIS 23 HB1 HIS 23 37.243 8.242 3.397 167 HD1 HIS 23 HD1 HIS 23 39.763 8.569 6.223 168 HD2 HIS 23 HD2 HIS 23 35.923 9.968 5.237 169 HE1 HIS 23 HE1 HIS 23 38.770 9.620 8.330 170 H TYR 24 HN TYR 24 36.753 7.321 5.042 171 HA TYR 24 HA TYR 24 35.438 5.769 6.166 172 HB2 TYR 24 HB2 TYR 24 36.543 4.086 3.886 173 HB3 TYR 24 HB1 TYR 24 35.252 3.530 4.979 174 HD1 TYR 24 HD1 TYR 24 33.042 4.633 4.995 175 HD2 TYR 24 HD2 TYR 24 36.142 5.860 2.254 176 HE1 TYR 24 HE1 TYR 24 31.357 5.879 3.647 177 HE2 TYR 24 HE2 TYR 24 34.457 7.107 0.907 178 HH TYR 24 HH TYR 24 31.514 6.595 0.770 179 H LEU 25 HN LEU 25 38.413 5.999 6.850 180 HA LEU 25 HA LEU 25 39.927 4.928 8.251 181 HB2 LEU 25 HB2 LEU 25 37.533 3.413 9.348 182 HB3 LEU 25 HB1 LEU 25 39.005 3.926 10.206 183 HG LEU 25 HG LEU 25 36.860 5.771 9.057 184 HD11 LEU 25 HD11 LEU 25 36.194 4.535 11.112 185 HD12 LEU 25 HD12 LEU 25 36.397 6.276 11.427 186 HD13 LEU 25 HD13 LEU 25 37.659 5.127 11.931 187 HD21 LEU 25 HD21 LEU 25 38.229 7.492 10.440 188 HD22 LEU 25 HD22 LEU 25 38.930 6.957 8.896 189 HD23 LEU 25 HD23 LEU 25 39.534 6.281 10.429 Start of MODEL 45 1 H1 GLY 1 HT1 GLY 1 66.726 21.089 -6.936 2 H2 GLY 1 HT2 GLY 1 66.516 22.558 -6.109 3 H3 GLY 1 HT3 GLY 1 65.232 21.451 -6.224 4 HA2 GLY 1 HA1 GLY 1 67.779 21.020 -4.810 5 HA3 GLY 1 HA2 GLY 1 66.226 21.425 -4.053 6 H TRP 2 HN TRP 2 65.428 19.713 -3.050 7 HA TRP 2 HA TRP 2 66.153 17.034 -3.485 8 HB2 TRP 2 HB2 TRP 2 63.953 16.482 -2.372 9 HB3 TRP 2 HB1 TRP 2 64.943 17.676 -1.497 10 HD1 TRP 2 HD1 TRP 2 62.010 17.591 -4.029 11 HE1 TRP 2 HE1 TRP 2 60.474 19.648 -3.614 12 HE3 TRP 2 HE3 TRP 2 64.727 19.897 -0.351 13 HZ2 TRP 2 HZ2 TRP 2 60.458 21.966 -1.904 14 HZ3 TRP 2 HZ3 TRP 2 63.931 22.030 0.657 15 HH2 TRP 2 HH2 TRP 2 61.801 23.065 -0.116 16 H GLY 3 HN GLY 3 65.261 15.287 -4.593 17 HA2 GLY 3 HA1 GLY 3 64.140 15.978 -7.191 18 HA3 GLY 3 HA2 GLY 3 64.502 14.352 -6.583 19 H SER 4 HN SER 4 62.867 14.955 -4.102 20 HA SER 4 HA SER 4 60.380 13.872 -5.137 21 HB2 SER 4 HB2 SER 4 61.115 14.963 -2.394 22 HB3 SER 4 HB1 SER 4 59.611 14.097 -2.775 23 HG SER 4 HG SER 4 61.428 12.569 -3.741 24 H ILE 5 HN ILE 5 59.666 15.435 -6.663 25 HA ILE 5 HA ILE 5 59.182 18.183 -5.931 26 HB ILE 5 HB ILE 5 57.681 16.584 -8.045 27 HG12 ILE 5 HG12 ILE 5 59.960 16.123 -8.551 28 HG13 ILE 5 HG11 ILE 5 59.547 17.492 -9.599 29 HG21 ILE 5 HG21 ILE 5 58.282 19.538 -7.624 30 HG22 ILE 5 HG22 ILE 5 56.704 18.736 -7.752 31 HG23 ILE 5 HG23 ILE 5 57.740 18.887 -9.186 32 HD11 ILE 5 HD1 ILE 5 60.529 19.008 -7.757 33 HD12 ILE 5 HD2 ILE 5 61.688 18.005 -8.654 34 HD13 ILE 5 HD3 ILE 5 61.170 17.519 -7.023 35 H PHE 6 HN PHE 6 58.165 18.053 -3.867 36 HA PHE 6 HA PHE 6 56.326 17.971 -2.452 37 HB2 PHE 6 HB2 PHE 6 54.941 18.474 -5.114 38 HB3 PHE 6 HB1 PHE 6 54.115 18.547 -3.538 39 HD1 PHE 6 HD1 PHE 6 54.733 20.270 -1.863 40 HD2 PHE 6 HD2 PHE 6 56.526 20.195 -5.788 41 HE1 PHE 6 HE1 PHE 6 55.559 22.598 -1.530 42 HE2 PHE 6 HE2 PHE 6 57.352 22.523 -5.455 43 HZ PHE 6 HZ PHE 6 56.863 23.725 -3.329 44 H LYS 7 HN LYS 7 57.151 15.511 -4.304 45 HA LYS 7 HA LYS 7 54.816 13.879 -4.536 46 HB2 LYS 7 HB2 LYS 7 57.083 13.456 -5.585 47 HB3 LYS 7 HB1 LYS 7 57.648 12.914 -3.986 48 HG2 LYS 7 HG2 LYS 7 55.831 11.208 -3.942 49 HG3 LYS 7 HG1 LYS 7 55.321 11.728 -5.566 50 HD2 LYS 7 HD2 LYS 7 57.677 11.218 -6.367 51 HD3 LYS 7 HD1 LYS 7 57.988 10.487 -4.774 52 HE2 LYS 7 HE2 LYS 7 57.327 8.692 -6.243 53 HE3 LYS 7 HE1 LYS 7 55.944 9.015 -5.170 54 HZ1 LYS 7 HZ1 LYS 7 56.054 9.150 -7.978 55 HZ2 LYS 7 HZ2 LYS 7 55.731 10.709 -7.384 56 HZ3 LYS 7 HZ3 LYS 7 54.722 9.410 -6.959 57 H HIS 8 HN HIS 8 57.457 13.556 -2.115 58 HA HIS 8 HA HIS 8 55.801 11.943 -0.364 59 HB2 HIS 8 HB2 HIS 8 58.271 11.778 -0.417 60 HB3 HIS 8 HB1 HIS 8 58.390 13.440 0.208 61 HD1 HIS 8 HD1 HIS 8 59.100 13.240 2.600 62 HD2 HIS 8 HD2 HIS 8 56.050 10.520 1.608 63 HE1 HIS 8 HE1 HIS 8 58.446 12.016 4.745 64 H GLY 9 HN GLY 9 53.918 13.429 -0.328 65 HA2 GLY 9 HA1 GLY 9 53.660 14.716 2.149 66 HA3 GLY 9 HA2 GLY 9 54.133 15.982 0.999 67 H ARG 10 HN ARG 10 52.772 14.518 -1.237 68 HA ARG 10 HA ARG 10 49.904 15.056 -0.458 69 HB2 ARG 10 HB2 ARG 10 51.340 15.840 -3.029 70 HB3 ARG 10 HB1 ARG 10 49.592 16.007 -2.732 71 HG2 ARG 10 HG2 ARG 10 50.029 17.516 -0.839 72 HG3 ARG 10 HG1 ARG 10 51.784 17.313 -1.060 73 HD2 ARG 10 HD2 ARG 10 51.484 18.196 -3.429 74 HD3 ARG 10 HD1 ARG 10 49.809 18.606 -2.987 75 HE ARG 10 HE ARG 10 52.182 20.081 -2.197 76 HH11 ARG 10 HH11 ARG 10 52.071 21.004 -0.004 77 HH12 ARG 10 HH12 ARG 10 50.496 21.473 0.543 78 HH21 ARG 10 HH21 ARG 10 48.831 19.840 -2.022 79 HH22 ARG 10 HH22 ARG 10 48.661 20.813 -0.599 80 H HIS 11 HN HIS 11 51.898 12.660 -1.022 81 HA HIS 11 HA HIS 11 49.813 10.961 -2.113 82 HB2 HIS 11 HB2 HIS 11 50.790 12.055 -4.209 83 HB3 HIS 11 HB1 HIS 11 52.320 11.236 -3.816 84 HD1 HIS 11 HD1 HIS 11 48.732 10.561 -4.865 85 HD2 HIS 11 HD2 HIS 11 52.308 8.431 -4.254 86 HE1 HIS 11 HE1 HIS 11 48.394 8.216 -5.820 87 H ALA 12 HN ALA 12 50.062 8.948 -1.858 88 HA ALA 12 HA ALA 12 50.779 6.975 -0.983 89 HB1 ALA 12 HB1 ALA 12 52.954 7.704 -2.052 90 HB2 ALA 12 HB2 ALA 12 53.067 6.608 -0.652 91 HB3 ALA 12 HB3 ALA 12 53.293 8.346 -0.455 92 H ALA 13 HN ALA 13 51.727 10.051 0.440 93 HA ALA 13 HA ALA 13 51.673 9.034 3.188 94 HB1 ALA 13 HB1 ALA 13 52.505 11.388 2.623 95 HB2 ALA 13 HB2 ALA 13 51.127 11.396 3.751 96 HB3 ALA 13 HB3 ALA 13 50.872 11.770 2.029 97 H LYS 14 HN LYS 14 50.393 8.761 0.293 98 HA LYS 14 HA LYS 14 47.426 8.552 1.256 99 HB2 LYS 14 HB2 LYS 14 48.262 10.155 -0.643 100 HB3 LYS 14 HB1 LYS 14 48.632 8.630 -1.534 101 HG2 LYS 14 HG2 LYS 14 46.383 8.269 -2.022 102 HG3 LYS 14 HG1 LYS 14 45.827 8.803 -0.418 103 HD2 LYS 14 HD2 LYS 14 46.164 11.173 -1.117 104 HD3 LYS 14 HD1 LYS 14 46.666 10.611 -2.730 105 HE2 LYS 14 HE2 LYS 14 44.250 11.278 -2.646 106 HE3 LYS 14 HE1 LYS 14 44.478 9.571 -3.092 107 HZ1 LYS 14 HZ1 LYS 14 42.914 10.508 -1.060 108 HZ2 LYS 14 HZ2 LYS 14 44.308 9.962 -0.255 109 HZ3 LYS 14 HZ3 LYS 14 43.433 8.905 -1.258 110 H HIS 15 HN HIS 15 46.425 7.106 -0.732 111 HA HIS 15 HA HIS 15 45.968 4.824 -1.051 112 HB2 HIS 15 HB2 HIS 15 48.690 5.286 -2.320 113 HB3 HIS 15 HB1 HIS 15 47.674 3.859 -2.635 114 HD1 HIS 15 HD1 HIS 15 45.055 5.987 -2.254 115 HD2 HIS 15 HD2 HIS 15 48.094 5.907 -5.160 116 HE1 HIS 15 HE1 HIS 15 44.189 7.255 -4.295 117 H ILE 16 HN ILE 16 47.502 5.481 1.463 118 HA ILE 16 HA ILE 16 47.709 3.059 2.528 119 HB ILE 16 HB ILE 16 49.494 2.212 1.185 120 HG12 ILE 16 HG12 ILE 16 51.181 3.268 3.472 121 HG13 ILE 16 HG11 ILE 16 49.792 2.235 3.864 122 HG21 ILE 16 HG21 ILE 16 50.264 4.265 0.075 123 HG22 ILE 16 HG22 ILE 16 51.654 3.590 0.946 124 HG23 ILE 16 HG23 ILE 16 50.763 4.946 1.636 125 HD11 ILE 16 HD1 ILE 16 50.653 0.458 2.394 126 HD12 ILE 16 HD2 ILE 16 51.886 0.917 3.592 127 HD13 ILE 16 HD3 ILE 16 52.020 1.490 1.914 128 H GLY 17 HN GLY 17 49.270 5.969 2.277 129 HA2 GLY 17 HA1 GLY 17 49.666 6.219 5.171 130 HA3 GLY 17 HA2 GLY 17 49.843 7.512 3.972 131 H HIS 18 HN HIS 18 47.191 6.323 2.788 132 HA HIS 18 HA HIS 18 45.421 8.062 4.511 133 HB2 HIS 18 HB2 HIS 18 45.354 8.360 2.045 134 HB3 HIS 18 HB1 HIS 18 44.813 6.679 1.866 135 HD1 HIS 18 HD1 HIS 18 42.719 6.421 4.055 136 HD2 HIS 18 HD2 HIS 18 43.054 9.800 1.585 137 HE1 HIS 18 HE1 HIS 18 40.474 7.631 4.118 138 H ALA 19 HN ALA 19 45.659 4.662 3.263 139 HA ALA 19 HA ALA 19 44.338 3.692 5.687 140 HB1 ALA 19 HB1 ALA 19 42.239 2.972 4.779 141 HB2 ALA 19 HB2 ALA 19 42.703 3.503 3.144 142 HB3 ALA 19 HB3 ALA 19 42.405 4.706 4.425 143 H ALA 20 HN ALA 20 46.725 2.930 4.446 144 HA ALA 20 HA ALA 20 47.808 0.990 3.801 145 HB1 ALA 20 HB1 ALA 20 45.231 -0.565 4.102 146 HB2 ALA 20 HB2 ALA 20 46.106 0.052 5.523 147 HB3 ALA 20 HB3 ALA 20 46.903 -1.088 4.412 148 H VAL 21 HN VAL 21 44.887 2.036 2.185 149 HA VAL 21 HA VAL 21 45.998 0.964 -0.364 150 HB VAL 21 HB VAL 21 43.103 0.440 0.445 151 HG11 VAL 21 HG11 VAL 21 43.391 0.753 -1.957 152 HG12 VAL 21 HG12 VAL 21 43.183 -0.985 -1.638 153 HG13 VAL 21 HG13 VAL 21 44.805 -0.328 -1.968 154 HG21 VAL 21 HG21 VAL 21 44.515 -1.038 1.752 155 HG22 VAL 21 HG22 VAL 21 45.537 -1.395 0.338 156 HG23 VAL 21 HG23 VAL 21 43.859 -1.985 0.397 157 H ASN 22 HN ASN 22 43.719 2.994 1.419 158 HA ASN 22 HA ASN 22 43.981 5.360 0.098 159 HB2 ASN 22 HB2 ASN 22 43.511 4.677 -2.110 160 HB3 ASN 22 HB1 ASN 22 42.281 3.503 -1.591 161 HD21 ASN 22 HD21 ASN 22 42.770 7.078 -1.051 162 HD22 ASN 22 HD22 ASN 22 41.140 7.513 -1.576 163 H HIS 23 HN HIS 23 41.322 3.055 0.782 164 HA HIS 23 HA HIS 23 40.444 4.550 3.091 165 HB2 HIS 23 HB2 HIS 23 39.638 6.127 1.361 166 HB3 HIS 23 HB1 HIS 23 38.725 4.807 0.590 167 HD1 HIS 23 HD1 HIS 23 36.319 5.251 1.113 168 HD2 HIS 23 HD2 HIS 23 38.799 5.786 4.468 169 HE1 HIS 23 HE1 HIS 23 34.800 5.708 3.117 170 H TYR 24 HN TYR 24 41.010 2.074 3.254 171 HA TYR 24 HA TYR 24 39.194 0.107 2.331 172 HB2 TYR 24 HB2 TYR 24 41.370 -0.378 3.420 173 HB3 TYR 24 HB1 TYR 24 40.699 0.167 4.977 174 HD1 TYR 24 HD1 TYR 24 40.483 -2.422 2.310 175 HD2 TYR 24 HD2 TYR 24 39.116 -1.196 6.217 176 HE1 TYR 24 HE1 TYR 24 39.502 -4.682 2.676 177 HE2 TYR 24 HE2 TYR 24 38.134 -3.458 6.582 178 HH TYR 24 HH TYR 24 38.791 -5.939 5.485 179 H LEU 25 HN LEU 25 38.851 2.527 4.825 180 HA LEU 25 HA LEU 25 36.760 1.210 6.319 181 HB2 LEU 25 HB2 LEU 25 37.049 4.218 6.029 182 HB3 LEU 25 HB1 LEU 25 36.471 3.284 7.429 183 HG LEU 25 HG LEU 25 39.321 3.402 6.350 184 HD11 LEU 25 HD11 LEU 25 39.822 4.433 8.499 185 HD12 LEU 25 HD12 LEU 25 38.152 4.173 9.059 186 HD13 LEU 25 HD13 LEU 25 38.482 5.328 7.745 187 HD21 LEU 25 HD21 LEU 25 38.023 1.642 8.474 188 HD22 LEU 25 HD22 LEU 25 39.774 1.962 8.442 189 HD23 LEU 25 HD23 LEU 25 38.996 1.135 7.073 Start of MODEL 46 1 H1 GLY 1 HT1 GLY 1 61.072 23.147 -3.242 2 H2 GLY 1 HT2 GLY 1 61.233 24.203 -1.921 3 H3 GLY 1 HT3 GLY 1 59.696 23.652 -2.392 4 HA2 GLY 1 HA1 GLY 1 61.004 22.625 -0.398 5 HA3 GLY 1 HA2 GLY 1 59.909 21.683 -1.430 6 H TRP 2 HN TRP 2 61.513 20.071 -0.306 7 HA TRP 2 HA TRP 2 64.178 19.834 -1.311 8 HB2 TRP 2 HB2 TRP 2 62.343 17.544 -0.520 9 HB3 TRP 2 HB1 TRP 2 64.121 17.585 -0.456 10 HD1 TRP 2 HD1 TRP 2 65.082 19.720 1.170 11 HE1 TRP 2 HE1 TRP 2 64.280 20.374 3.557 12 HE3 TRP 2 HE3 TRP 2 60.466 17.509 1.104 13 HZ2 TRP 2 HZ2 TRP 2 61.940 19.971 5.187 14 HZ3 TRP 2 HZ3 TRP 2 58.965 17.656 3.085 15 HH2 TRP 2 HH2 TRP 2 59.698 18.883 5.126 16 H GLY 3 HN GLY 3 64.165 17.111 -2.243 17 HA2 GLY 3 HA1 GLY 3 63.933 17.597 -5.055 18 HA3 GLY 3 HA2 GLY 3 64.178 16.018 -4.281 19 H SER 4 HN SER 4 61.793 16.049 -2.681 20 HA SER 4 HA SER 4 59.951 14.984 -4.634 21 HB2 SER 4 HB2 SER 4 58.431 14.721 -2.713 22 HB3 SER 4 HB1 SER 4 60.070 14.172 -2.302 23 HG SER 4 HG SER 4 59.114 16.804 -1.799 24 H ILE 5 HN ILE 5 58.777 16.133 -6.011 25 HA ILE 5 HA ILE 5 58.288 18.963 -5.617 26 HB ILE 5 HB ILE 5 56.777 17.156 -7.549 27 HG12 ILE 5 HG12 ILE 5 59.579 18.342 -7.815 28 HG13 ILE 5 HG11 ILE 5 59.167 16.613 -7.741 29 HG21 ILE 5 HG21 ILE 5 57.791 20.001 -7.937 30 HG22 ILE 5 HG22 ILE 5 56.218 19.658 -7.182 31 HG23 ILE 5 HG23 ILE 5 56.531 19.140 -8.853 32 HD11 ILE 5 HD1 ILE 5 58.555 18.603 -9.952 33 HD12 ILE 5 HD2 ILE 5 57.680 17.059 -9.817 34 HD13 ILE 5 HD3 ILE 5 59.442 17.067 -10.062 35 H PHE 6 HN PHE 6 56.316 16.002 -5.290 36 HA PHE 6 HA PHE 6 54.552 17.381 -3.386 37 HB2 PHE 6 HB2 PHE 6 53.517 16.479 -6.103 38 HB3 PHE 6 HB1 PHE 6 52.469 16.790 -4.700 39 HD1 PHE 6 HD1 PHE 6 53.890 18.280 -7.588 40 HD2 PHE 6 HD2 PHE 6 52.960 19.125 -3.455 41 HE1 PHE 6 HE1 PHE 6 53.885 20.721 -8.086 42 HE2 PHE 6 HE2 PHE 6 52.968 21.563 -3.954 43 HZ PHE 6 HZ PHE 6 53.353 22.357 -6.285 44 H LYS 7 HN LYS 7 56.285 14.810 -4.322 45 HA LYS 7 HA LYS 7 54.490 12.602 -3.858 46 HB2 LYS 7 HB2 LYS 7 57.482 12.611 -3.321 47 HB3 LYS 7 HB1 LYS 7 56.452 11.237 -3.783 48 HG2 LYS 7 HG2 LYS 7 57.044 13.673 -5.527 49 HG3 LYS 7 HG1 LYS 7 57.785 12.066 -5.705 50 HD2 LYS 7 HD2 LYS 7 55.354 11.168 -5.912 51 HD3 LYS 7 HD1 LYS 7 54.886 12.868 -6.157 52 HE2 LYS 7 HE2 LYS 7 55.269 11.743 -8.323 53 HE3 LYS 7 HE1 LYS 7 56.465 13.033 -8.059 54 HZ1 LYS 7 HZ1 LYS 7 58.137 11.556 -7.846 55 HZ2 LYS 7 HZ2 LYS 7 57.116 10.554 -8.762 56 HZ3 LYS 7 HZ3 LYS 7 57.182 10.387 -7.073 57 H HIS 8 HN HIS 8 57.251 13.499 -1.750 58 HA HIS 8 HA HIS 8 55.788 12.435 0.583 59 HB2 HIS 8 HB2 HIS 8 58.539 13.691 0.248 60 HB3 HIS 8 HB1 HIS 8 57.904 13.074 1.790 61 HD1 HIS 8 HD1 HIS 8 57.707 11.594 -1.758 62 HD2 HIS 8 HD2 HIS 8 59.029 10.572 2.100 63 HE1 HIS 8 HE1 HIS 8 58.571 9.192 -1.860 64 H GLY 9 HN GLY 9 54.027 14.085 0.305 65 HA2 GLY 9 HA1 GLY 9 54.402 16.167 2.265 66 HA3 GLY 9 HA2 GLY 9 54.397 16.850 0.628 67 H ARG 10 HN ARG 10 52.562 14.749 -0.387 68 HA ARG 10 HA ARG 10 50.096 15.011 1.167 69 HB2 ARG 10 HB2 ARG 10 48.874 16.296 -0.602 70 HB3 ARG 10 HB1 ARG 10 50.121 17.258 0.228 71 HG2 ARG 10 HG2 ARG 10 51.710 16.757 -1.637 72 HG3 ARG 10 HG1 ARG 10 50.407 15.885 -2.481 73 HD2 ARG 10 HD2 ARG 10 50.662 18.249 -3.274 74 HD3 ARG 10 HD1 ARG 10 49.053 17.919 -2.584 75 HE ARG 10 HE ARG 10 51.009 19.002 -0.663 76 HH11 ARG 10 HH11 ARG 10 51.160 21.399 -1.748 77 HH12 ARG 10 HH12 ARG 10 49.617 22.176 -1.658 78 HH21 ARG 10 HH21 ARG 10 47.873 19.236 -1.074 79 HH22 ARG 10 HH22 ARG 10 47.755 20.952 -1.276 80 H HIS 11 HN HIS 11 51.742 12.918 0.021 81 HA HIS 11 HA HIS 11 49.599 11.441 -1.288 82 HB2 HIS 11 HB2 HIS 11 50.561 12.716 -3.229 83 HB3 HIS 11 HB1 HIS 11 52.134 11.952 -2.891 84 HD1 HIS 11 HD1 HIS 11 48.518 11.012 -3.765 85 HD2 HIS 11 HD2 HIS 11 52.400 9.401 -3.969 86 HE1 HIS 11 HE1 HIS 11 48.361 8.806 -5.046 87 H ALA 12 HN ALA 12 49.781 9.386 -1.276 88 HA ALA 12 HA ALA 12 50.457 7.294 -0.647 89 HB1 ALA 12 HB1 ALA 12 53.000 8.537 0.048 90 HB2 ALA 12 HB2 ALA 12 52.638 8.111 -1.626 91 HB3 ALA 12 HB3 ALA 12 52.743 6.854 -0.369 92 H ALA 13 HN ALA 13 51.402 10.164 1.149 93 HA ALA 13 HA ALA 13 51.333 8.804 3.750 94 HB1 ALA 13 HB1 ALA 13 50.666 11.112 4.553 95 HB2 ALA 13 HB2 ALA 13 50.649 11.674 2.864 96 HB3 ALA 13 HB3 ALA 13 52.180 11.171 3.621 97 H LYS 14 HN LYS 14 50.103 8.936 0.820 98 HA LYS 14 HA LYS 14 47.116 8.586 1.670 99 HB2 LYS 14 HB2 LYS 14 48.056 10.412 -0.006 100 HB3 LYS 14 HB1 LYS 14 48.311 8.993 -1.089 101 HG2 LYS 14 HG2 LYS 14 45.593 8.774 -0.103 102 HG3 LYS 14 HG1 LYS 14 45.806 10.500 -0.442 103 HD2 LYS 14 HD2 LYS 14 46.570 9.982 -2.732 104 HD3 LYS 14 HD1 LYS 14 46.397 8.244 -2.404 105 HE2 LYS 14 HE2 LYS 14 44.003 8.472 -2.082 106 HE3 LYS 14 HE1 LYS 14 44.114 10.245 -2.171 107 HZ1 LYS 14 HZ1 LYS 14 45.199 9.715 -4.467 108 HZ2 LYS 14 HZ2 LYS 14 43.508 9.719 -4.302 109 HZ3 LYS 14 HZ3 LYS 14 44.359 8.248 -4.321 110 H HIS 15 HN HIS 15 46.366 7.431 -0.762 111 HA HIS 15 HA HIS 15 45.956 5.192 -1.371 112 HB2 HIS 15 HB2 HIS 15 47.486 6.264 -3.052 113 HB3 HIS 15 HB1 HIS 15 48.861 5.519 -2.204 114 HD1 HIS 15 HD1 HIS 15 45.502 4.421 -3.740 115 HD2 HIS 15 HD2 HIS 15 49.431 3.015 -3.208 116 HE1 HIS 15 HE1 HIS 15 45.654 2.136 -4.875 117 H ILE 16 HN ILE 16 47.228 5.504 1.382 118 HA ILE 16 HA ILE 16 47.342 2.938 2.147 119 HB ILE 16 HB ILE 16 49.255 2.325 0.857 120 HG12 ILE 16 HG12 ILE 16 51.003 1.839 2.505 121 HG13 ILE 16 HG11 ILE 16 50.298 3.008 3.639 122 HG21 ILE 16 HG21 ILE 16 50.501 4.912 1.874 123 HG22 ILE 16 HG22 ILE 16 50.088 4.553 0.184 124 HG23 ILE 16 HG23 ILE 16 51.399 3.670 0.999 125 HD11 ILE 16 HD1 ILE 16 48.309 1.679 3.905 126 HD12 ILE 16 HD2 ILE 16 49.675 0.548 4.019 127 HD13 ILE 16 HD3 ILE 16 48.730 0.652 2.516 128 H GLY 17 HN GLY 17 49.012 5.786 2.444 129 HA2 GLY 17 HA1 GLY 17 49.070 5.735 5.357 130 HA3 GLY 17 HA2 GLY 17 49.410 7.140 4.324 131 H HIS 18 HN HIS 18 46.843 6.144 2.816 132 HA HIS 18 HA HIS 18 44.956 7.766 4.530 133 HB2 HIS 18 HB2 HIS 18 45.230 7.161 1.603 134 HB3 HIS 18 HB1 HIS 18 43.562 7.246 2.208 135 HD1 HIS 18 HD1 HIS 18 46.222 9.371 3.831 136 HD2 HIS 18 HD2 HIS 18 43.113 9.798 1.034 137 HE1 HIS 18 HE1 HIS 18 45.911 11.873 3.415 138 H ALA 19 HN ALA 19 45.260 4.586 2.846 139 HA ALA 19 HA ALA 19 44.099 3.012 4.823 140 HB1 ALA 19 HB1 ALA 19 41.674 2.804 3.701 141 HB2 ALA 19 HB2 ALA 19 41.997 4.493 3.245 142 HB3 ALA 19 HB3 ALA 19 41.994 4.015 4.961 143 H ALA 20 HN ALA 20 45.508 3.449 1.986 144 HA ALA 20 HA ALA 20 46.092 2.034 0.242 145 HB1 ALA 20 HB1 ALA 20 44.822 -0.249 1.784 146 HB2 ALA 20 HB2 ALA 20 46.380 0.460 2.265 147 HB3 ALA 20 HB3 ALA 20 46.202 -0.295 0.664 148 H VAL 21 HN VAL 21 43.154 2.969 1.005 149 HA VAL 21 HA VAL 21 41.937 1.880 -1.491 150 HB VAL 21 HB VAL 21 40.521 1.876 1.217 151 HG11 VAL 21 HG11 VAL 21 38.881 2.299 -0.458 152 HG12 VAL 21 HG12 VAL 21 38.806 0.541 -0.219 153 HG13 VAL 21 HG13 VAL 21 39.665 1.211 -1.628 154 HG21 VAL 21 HG21 VAL 21 41.581 -0.405 -0.516 155 HG22 VAL 21 HG22 VAL 21 40.517 -0.624 0.893 156 HG23 VAL 21 HG23 VAL 21 42.147 0.048 1.108 157 H ASN 22 HN ASN 22 42.713 4.288 0.693 158 HA ASN 22 HA ASN 22 42.534 6.610 0.177 159 HB2 ASN 22 HB2 ASN 22 41.168 6.068 -1.946 160 HB3 ASN 22 HB1 ASN 22 39.726 6.191 -0.907 161 HD21 ASN 22 HD21 ASN 22 38.842 8.181 -1.602 162 HD22 ASN 22 HD22 ASN 22 39.733 9.705 -1.529 163 H HIS 23 HN HIS 23 39.857 4.614 1.354 164 HA HIS 23 HA HIS 23 39.872 5.898 3.928 165 HB2 HIS 23 HB2 HIS 23 38.780 7.734 2.615 166 HB3 HIS 23 HB1 HIS 23 37.487 6.597 2.169 167 HD1 HIS 23 HD1 HIS 23 38.971 8.454 5.131 168 HD2 HIS 23 HD2 HIS 23 35.685 5.972 4.277 169 HE1 HIS 23 HE1 HIS 23 37.386 8.573 7.131 170 H TYR 24 HN TYR 24 40.068 3.534 4.198 171 HA TYR 24 HA TYR 24 37.787 1.848 3.546 172 HB2 TYR 24 HB2 TYR 24 40.131 1.007 3.846 173 HB3 TYR 24 HB1 TYR 24 39.993 1.361 5.585 174 HD1 TYR 24 HD1 TYR 24 38.865 -0.819 2.821 175 HD2 TYR 24 HD2 TYR 24 38.458 0.077 7.023 176 HE1 TYR 24 HE1 TYR 24 37.705 -2.996 3.173 177 HE2 TYR 24 HE2 TYR 24 37.298 -2.100 7.375 178 HH TYR 24 HH TYR 24 35.890 -3.672 5.874 179 H LEU 25 HN LEU 25 38.539 4.086 6.065 180 HA LEU 25 HA LEU 25 36.882 2.867 8.124 181 HB2 LEU 25 HB2 LEU 25 37.576 5.817 7.925 182 HB3 LEU 25 HB1 LEU 25 37.312 4.831 9.383 183 HG LEU 25 HG LEU 25 39.644 4.602 7.430 184 HD11 LEU 25 HD11 LEU 25 39.785 6.527 8.962 185 HD12 LEU 25 HD12 LEU 25 40.971 5.283 9.425 186 HD13 LEU 25 HD13 LEU 25 39.462 5.463 10.351 187 HD21 LEU 25 HD21 LEU 25 40.480 2.963 9.248 188 HD22 LEU 25 HD22 LEU 25 39.185 2.373 8.182 189 HD23 LEU 25 HD23 LEU 25 38.799 2.924 9.831 Start of MODEL 47 1 H1 GLY 1 HT1 GLY 1 68.396 23.189 -6.255 2 H2 GLY 1 HT2 GLY 1 68.448 23.325 -4.563 3 H3 GLY 1 HT3 GLY 1 68.487 24.719 -5.533 4 HA2 GLY 1 HA1 GLY 1 66.349 24.599 -4.692 5 HA3 GLY 1 HA2 GLY 1 66.278 24.092 -6.391 6 H TRP 2 HN TRP 2 65.041 22.394 -6.754 7 HA TRP 2 HA TRP 2 65.320 19.944 -5.256 8 HB2 TRP 2 HB2 TRP 2 62.802 20.044 -4.454 9 HB3 TRP 2 HB1 TRP 2 64.070 20.807 -3.465 10 HD1 TRP 2 HD1 TRP 2 62.055 22.031 -6.564 11 HE1 TRP 2 HE1 TRP 2 61.141 24.413 -6.068 12 HE3 TRP 2 HE3 TRP 2 63.843 22.608 -1.801 13 HZ2 TRP 2 HZ2 TRP 2 61.196 26.290 -3.886 14 HZ3 TRP 2 HZ3 TRP 2 63.400 24.703 -0.531 15 HH2 TRP 2 HH2 TRP 2 62.078 26.543 -1.567 16 H GLY 3 HN GLY 3 63.070 18.607 -5.720 17 HA2 GLY 3 HA1 GLY 3 61.950 19.200 -8.355 18 HA3 GLY 3 HA2 GLY 3 63.124 17.868 -8.373 19 H SER 4 HN SER 4 60.831 18.782 -5.801 20 HA SER 4 HA SER 4 59.077 16.482 -6.448 21 HB2 SER 4 HB2 SER 4 60.723 16.610 -3.891 22 HB3 SER 4 HB1 SER 4 59.334 15.528 -4.142 23 HG SER 4 HG SER 4 61.766 15.634 -5.625 24 H ILE 5 HN ILE 5 57.337 17.824 -6.622 25 HA ILE 5 HA ILE 5 56.789 19.963 -4.771 26 HB ILE 5 HB ILE 5 54.702 18.452 -6.399 27 HG12 ILE 5 HG12 ILE 5 56.604 20.669 -7.294 28 HG13 ILE 5 HG11 ILE 5 56.642 18.981 -7.850 29 HG21 ILE 5 HG21 ILE 5 54.071 20.264 -4.681 30 HG22 ILE 5 HG22 ILE 5 53.493 20.520 -6.342 31 HG23 ILE 5 HG23 ILE 5 54.909 21.419 -5.744 32 HD11 ILE 5 HD1 ILE 5 54.534 21.101 -8.381 33 HD12 ILE 5 HD2 ILE 5 54.164 19.368 -8.562 34 HD13 ILE 5 HD3 ILE 5 55.440 20.117 -9.552 35 H PHE 6 HN PHE 6 57.251 18.800 -2.755 36 HA PHE 6 HA PHE 6 56.559 17.715 -0.828 37 HB2 PHE 6 HB2 PHE 6 53.865 18.545 -1.971 38 HB3 PHE 6 HB1 PHE 6 54.076 17.852 -0.345 39 HD1 PHE 6 HD1 PHE 6 55.222 20.650 -2.576 40 HD2 PHE 6 HD2 PHE 6 54.769 19.230 1.476 41 HE1 PHE 6 HE1 PHE 6 55.875 22.894 -1.716 42 HE2 PHE 6 HE2 PHE 6 55.420 21.476 2.335 43 HZ PHE 6 HZ PHE 6 55.992 23.302 0.740 44 H LYS 7 HN LYS 7 56.419 16.328 -3.698 45 HA LYS 7 HA LYS 7 54.545 14.197 -3.504 46 HB2 LYS 7 HB2 LYS 7 57.344 14.097 -4.698 47 HB3 LYS 7 HB1 LYS 7 55.991 13.011 -5.085 48 HG2 LYS 7 HG2 LYS 7 55.900 16.036 -5.484 49 HG3 LYS 7 HG1 LYS 7 56.371 14.890 -6.760 50 HD2 LYS 7 HD2 LYS 7 54.084 13.709 -6.234 51 HD3 LYS 7 HD1 LYS 7 53.666 15.232 -5.414 52 HE2 LYS 7 HE2 LYS 7 52.861 15.458 -7.656 53 HE3 LYS 7 HE1 LYS 7 54.351 16.426 -7.581 54 HZ1 LYS 7 HZ1 LYS 7 53.877 14.583 -9.446 55 HZ2 LYS 7 HZ2 LYS 7 54.682 13.624 -8.298 56 HZ3 LYS 7 HZ3 LYS 7 55.437 15.008 -8.932 57 H HIS 8 HN HIS 8 57.834 14.570 -2.194 58 HA HIS 8 HA HIS 8 57.934 11.855 -1.141 59 HB2 HIS 8 HB2 HIS 8 59.944 12.662 0.050 60 HB3 HIS 8 HB1 HIS 8 59.979 13.126 -1.668 61 HD1 HIS 8 HD1 HIS 8 60.004 15.598 -2.246 62 HD2 HIS 8 HD2 HIS 8 59.160 14.888 1.811 63 HE1 HIS 8 HE1 HIS 8 60.077 17.853 -1.047 64 H GLY 9 HN GLY 9 55.760 14.038 -0.419 65 HA2 GLY 9 HA1 GLY 9 55.388 13.041 2.298 66 HA3 GLY 9 HA2 GLY 9 55.840 14.757 2.247 67 H ARG 10 HN ARG 10 53.902 12.996 -0.156 68 HA ARG 10 HA ARG 10 51.371 14.010 0.893 69 HB2 ARG 10 HB2 ARG 10 52.579 16.006 -0.297 70 HB3 ARG 10 HB1 ARG 10 52.182 15.152 -1.804 71 HG2 ARG 10 HG2 ARG 10 49.781 15.160 -1.182 72 HG3 ARG 10 HG1 ARG 10 50.176 15.986 0.344 73 HD2 ARG 10 HD2 ARG 10 51.105 17.898 -0.933 74 HD3 ARG 10 HD1 ARG 10 50.699 17.073 -2.458 75 HE ARG 10 HE ARG 10 48.541 17.958 -2.163 76 HH11 ARG 10 HH11 ARG 10 50.186 18.426 0.738 77 HH12 ARG 10 HH12 ARG 10 48.768 18.463 1.734 78 HH21 ARG 10 HH21 ARG 10 46.624 17.525 -0.824 79 HH22 ARG 10 HH22 ARG 10 46.752 17.953 0.849 80 H HIS 11 HN HIS 11 52.569 11.479 0.152 81 HA HIS 11 HA HIS 11 50.369 10.459 -1.413 82 HB2 HIS 11 HB2 HIS 11 51.855 11.449 -3.231 83 HB3 HIS 11 HB1 HIS 11 53.095 10.268 -2.750 84 HD1 HIS 11 HD1 HIS 11 51.921 7.655 -2.532 85 HD2 HIS 11 HD2 HIS 11 50.273 10.423 -5.236 86 HE1 HIS 11 HE1 HIS 11 50.607 6.327 -4.275 87 H ALA 12 HN ALA 12 50.068 8.432 -1.309 88 HA ALA 12 HA ALA 12 50.196 6.263 -0.574 89 HB1 ALA 12 HB1 ALA 12 52.619 6.530 -1.286 90 HB2 ALA 12 HB2 ALA 12 52.269 5.339 -0.008 91 HB3 ALA 12 HB3 ALA 12 52.853 6.952 0.400 92 H ALA 13 HN ALA 13 51.623 8.926 1.224 93 HA ALA 13 HA ALA 13 50.966 7.807 3.846 94 HB1 ALA 13 HB1 ALA 13 50.740 10.303 4.414 95 HB2 ALA 13 HB2 ALA 13 51.185 10.664 2.728 96 HB3 ALA 13 HB3 ALA 13 52.352 9.859 3.806 97 H LYS 14 HN LYS 14 50.059 8.023 0.808 98 HA LYS 14 HA LYS 14 47.018 8.479 1.390 99 HB2 LYS 14 HB2 LYS 14 48.444 9.914 -0.291 100 HB3 LYS 14 HB1 LYS 14 48.553 8.388 -1.237 101 HG2 LYS 14 HG2 LYS 14 46.361 8.588 -1.995 102 HG3 LYS 14 HG1 LYS 14 45.745 9.145 -0.430 103 HD2 LYS 14 HD2 LYS 14 45.390 11.013 -1.811 104 HD3 LYS 14 HD1 LYS 14 46.930 11.425 -1.037 105 HE2 LYS 14 HE2 LYS 14 46.633 10.112 -3.779 106 HE3 LYS 14 HE1 LYS 14 46.961 11.837 -3.498 107 HZ1 LYS 14 HZ1 LYS 14 48.998 11.227 -2.358 108 HZ2 LYS 14 HZ2 LYS 14 48.988 10.596 -3.936 109 HZ3 LYS 14 HZ3 LYS 14 48.684 9.580 -2.609 110 H HIS 15 HN HIS 15 45.972 7.406 -0.775 111 HA HIS 15 HA HIS 15 45.054 5.328 -1.334 112 HB2 HIS 15 HB2 HIS 15 46.742 5.956 -3.067 113 HB3 HIS 15 HB1 HIS 15 47.935 4.951 -2.209 114 HD1 HIS 15 HD1 HIS 15 47.958 2.493 -2.726 115 HD2 HIS 15 HD2 HIS 15 44.404 4.361 -3.979 116 HE1 HIS 15 HE1 HIS 15 46.609 0.761 -4.033 117 H ILE 16 HN ILE 16 46.399 5.431 1.405 118 HA ILE 16 HA ILE 16 45.916 2.962 2.293 119 HB ILE 16 HB ILE 16 47.562 1.833 0.951 120 HG12 ILE 16 HG12 ILE 16 48.947 2.294 3.624 121 HG13 ILE 16 HG11 ILE 16 47.523 1.252 3.424 122 HG21 ILE 16 HG21 ILE 16 50.020 2.630 1.075 123 HG22 ILE 16 HG22 ILE 16 49.395 4.107 1.815 124 HG23 ILE 16 HG23 ILE 16 48.938 3.694 0.153 125 HD11 ILE 16 HD1 ILE 16 49.039 0.138 1.494 126 HD12 ILE 16 HD2 ILE 16 49.213 -0.340 3.196 127 HD13 ILE 16 HD3 ILE 16 50.357 0.812 2.482 128 H GLY 17 HN GLY 17 48.029 5.509 2.336 129 HA2 GLY 17 HA1 GLY 17 48.212 5.467 5.297 130 HA3 GLY 17 HA2 GLY 17 48.930 6.672 4.212 131 H HIS 18 HN HIS 18 46.193 6.242 2.684 132 HA HIS 18 HA HIS 18 44.792 8.449 4.188 133 HB2 HIS 18 HB2 HIS 18 44.896 7.509 1.356 134 HB3 HIS 18 HB1 HIS 18 43.273 7.968 1.901 135 HD1 HIS 18 HD1 HIS 18 46.357 9.670 3.302 136 HD2 HIS 18 HD2 HIS 18 43.236 10.470 0.603 137 HE1 HIS 18 HE1 HIS 18 46.509 12.141 2.673 138 H ALA 19 HN ALA 19 44.386 5.008 3.159 139 HA ALA 19 HA ALA 19 42.209 4.854 5.216 140 HB1 ALA 19 HB1 ALA 19 40.584 3.850 3.660 141 HB2 ALA 19 HB2 ALA 19 41.673 4.212 2.303 142 HB3 ALA 19 HB3 ALA 19 40.958 5.539 3.248 143 H ALA 20 HN ALA 20 44.919 3.682 4.698 144 HA ALA 20 HA ALA 20 45.914 1.621 5.059 145 HB1 ALA 20 HB1 ALA 20 43.189 0.512 5.760 146 HB2 ALA 20 HB2 ALA 20 44.074 1.607 6.848 147 HB3 ALA 20 HB3 ALA 20 44.784 0.040 6.391 148 H VAL 21 HN VAL 21 43.495 2.075 2.709 149 HA VAL 21 HA VAL 21 44.541 -0.242 1.177 150 HB VAL 21 HB VAL 21 41.552 0.087 1.721 151 HG11 VAL 21 HG11 VAL 21 43.177 -1.793 -0.043 152 HG12 VAL 21 HG12 VAL 21 41.881 -0.679 -0.541 153 HG13 VAL 21 HG13 VAL 21 41.492 -2.121 0.422 154 HG21 VAL 21 HG21 VAL 21 41.856 -2.245 2.721 155 HG22 VAL 21 HG22 VAL 21 42.592 -0.927 3.657 156 HG23 VAL 21 HG23 VAL 21 43.612 -1.969 2.635 157 H ASN 22 HN ASN 22 42.783 2.813 1.406 158 HA ASN 22 HA ASN 22 43.581 3.514 -1.282 159 HB2 ASN 22 HB2 ASN 22 41.808 1.977 -1.949 160 HB3 ASN 22 HB1 ASN 22 40.653 2.794 -0.874 161 HD21 ASN 22 HD21 ASN 22 42.473 3.068 -3.929 162 HD22 ASN 22 HD22 ASN 22 41.593 4.482 -4.519 163 H HIS 23 HN HIS 23 40.375 4.437 -0.215 164 HA HIS 23 HA HIS 23 41.307 6.787 1.288 165 HB2 HIS 23 HB2 HIS 23 41.673 7.502 -1.063 166 HB3 HIS 23 HB1 HIS 23 39.964 7.158 -1.418 167 HD1 HIS 23 HD1 HIS 23 39.252 9.583 -1.861 168 HD2 HIS 23 HD2 HIS 23 41.148 9.078 1.856 169 HE1 HIS 23 HE1 HIS 23 38.875 11.721 -0.515 170 H TYR 24 HN TYR 24 39.386 4.341 1.220 171 HA TYR 24 HA TYR 24 36.721 5.484 1.304 172 HB2 TYR 24 HB2 TYR 24 37.823 2.894 2.468 173 HB3 TYR 24 HB1 TYR 24 36.097 3.310 2.336 174 HD1 TYR 24 HD1 TYR 24 35.185 3.917 -0.014 175 HD2 TYR 24 HD2 TYR 24 38.946 1.896 0.621 176 HE1 TYR 24 HE1 TYR 24 35.151 3.111 -2.371 177 HE2 TYR 24 HE2 TYR 24 38.912 1.090 -1.736 178 HH TYR 24 HH TYR 24 36.302 0.847 -3.505 179 H LEU 25 HN LEU 25 39.206 6.291 3.169 180 HA LEU 25 HA LEU 25 37.501 7.194 5.339 181 HB2 LEU 25 HB2 LEU 25 37.714 4.940 6.169 182 HB3 LEU 25 HB1 LEU 25 39.460 4.917 5.841 183 HG LEU 25 HG LEU 25 39.891 6.529 7.601 184 HD11 LEU 25 HD11 LEU 25 38.088 8.084 7.438 185 HD12 LEU 25 HD12 LEU 25 37.866 7.310 9.024 186 HD13 LEU 25 HD13 LEU 25 36.861 6.812 7.641 187 HD21 LEU 25 HD21 LEU 25 37.799 4.570 8.642 188 HD22 LEU 25 HD22 LEU 25 39.166 5.266 9.544 189 HD23 LEU 25 HD23 LEU 25 39.467 4.112 8.223 Start of MODEL 48 1 H1 GLY 1 HT1 GLY 1 66.939 17.037 -0.544 2 H2 GLY 1 HT2 GLY 1 65.422 17.302 -1.263 3 H3 GLY 1 HT3 GLY 1 66.639 18.483 -1.375 4 HA2 GLY 1 HA1 GLY 1 66.829 17.575 -3.395 5 HA3 GLY 1 HA2 GLY 1 67.974 16.591 -2.464 6 H TRP 2 HN TRP 2 67.850 14.507 -2.865 7 HA TRP 2 HA TRP 2 66.978 12.441 -3.429 8 HB2 TRP 2 HB2 TRP 2 65.705 12.855 -1.301 9 HB3 TRP 2 HB1 TRP 2 64.368 13.505 -2.278 10 HD1 TRP 2 HD1 TRP 2 62.656 11.801 -3.066 11 HE1 TRP 2 HE1 TRP 2 62.529 9.214 -3.307 12 HE3 TRP 2 HE3 TRP 2 67.481 10.638 -1.811 13 HZ2 TRP 2 HZ2 TRP 2 64.306 6.971 -2.990 14 HZ3 TRP 2 HZ3 TRP 2 68.243 8.267 -1.788 15 HH2 TRP 2 HH2 TRP 2 66.662 6.435 -2.375 16 H GLY 3 HN GLY 3 63.936 14.283 -3.850 17 HA2 GLY 3 HA1 GLY 3 64.003 14.826 -6.562 18 HA3 GLY 3 HA2 GLY 3 63.562 13.107 -6.490 19 H SER 4 HN SER 4 62.201 13.509 -3.859 20 HA SER 4 HA SER 4 59.579 14.176 -4.974 21 HB2 SER 4 HB2 SER 4 60.500 13.483 -2.161 22 HB3 SER 4 HB1 SER 4 58.802 13.712 -2.635 23 HG SER 4 HG SER 4 59.041 11.619 -3.012 24 H ILE 5 HN ILE 5 59.600 16.349 -5.557 25 HA ILE 5 HA ILE 5 60.545 18.459 -3.874 26 HB ILE 5 HB ILE 5 59.060 19.934 -5.271 27 HG12 ILE 5 HG12 ILE 5 58.185 17.231 -6.395 28 HG13 ILE 5 HG11 ILE 5 57.159 18.419 -5.557 29 HG21 ILE 5 HG21 ILE 5 60.507 17.874 -6.987 30 HG22 ILE 5 HG22 ILE 5 61.371 19.071 -5.992 31 HG23 ILE 5 HG23 ILE 5 60.300 19.613 -7.303 32 HD11 ILE 5 HD1 ILE 5 56.706 18.798 -7.854 33 HD12 ILE 5 HD2 ILE 5 58.415 18.614 -8.315 34 HD13 ILE 5 HD3 ILE 5 57.879 20.071 -7.441 35 H PHE 6 HN PHE 6 57.456 16.743 -4.075 36 HA PHE 6 HA PHE 6 56.720 17.709 -1.407 37 HB2 PHE 6 HB2 PHE 6 55.203 18.645 -3.874 38 HB3 PHE 6 HB1 PHE 6 54.480 18.621 -2.249 39 HD1 PHE 6 HD1 PHE 6 55.744 19.844 -0.350 40 HD2 PHE 6 HD2 PHE 6 56.569 20.482 -4.539 41 HE1 PHE 6 HE1 PHE 6 56.839 22.014 0.195 42 HE2 PHE 6 HE2 PHE 6 57.664 22.653 -3.994 43 HZ PHE 6 HZ PHE 6 57.715 23.459 -1.636 44 H LYS 7 HN LYS 7 56.708 15.534 -3.950 45 HA LYS 7 HA LYS 7 54.259 14.192 -3.850 46 HB2 LYS 7 HB2 LYS 7 56.229 13.624 -5.309 47 HB3 LYS 7 HB1 LYS 7 56.985 12.843 -3.899 48 HG2 LYS 7 HG2 LYS 7 55.127 11.274 -3.705 49 HG3 LYS 7 HG1 LYS 7 54.237 12.113 -4.999 50 HD2 LYS 7 HD2 LYS 7 56.111 11.583 -6.578 51 HD3 LYS 7 HD1 LYS 7 56.896 10.647 -5.282 52 HE2 LYS 7 HE2 LYS 7 54.214 10.098 -6.612 53 HE3 LYS 7 HE1 LYS 7 55.663 9.064 -6.610 54 HZ1 LYS 7 HZ1 LYS 7 54.039 8.284 -5.008 55 HZ2 LYS 7 HZ2 LYS 7 54.025 9.794 -4.230 56 HZ3 LYS 7 HZ3 LYS 7 55.427 8.834 -4.204 57 H HIS 8 HN HIS 8 57.127 13.525 -1.780 58 HA HIS 8 HA HIS 8 55.606 11.720 -0.069 59 HB2 HIS 8 HB2 HIS 8 58.046 11.487 -0.402 60 HB3 HIS 8 HB1 HIS 8 58.300 13.067 0.376 61 HD1 HIS 8 HD1 HIS 8 56.397 9.823 1.241 62 HD2 HIS 8 HD2 HIS 8 58.899 12.690 3.033 63 HE1 HIS 8 HE1 HIS 8 56.696 9.151 3.689 64 H GLY 9 HN GLY 9 53.827 13.398 0.197 65 HA2 GLY 9 HA1 GLY 9 53.892 14.378 2.866 66 HA3 GLY 9 HA2 GLY 9 54.247 15.735 1.778 67 H ARG 10 HN ARG 10 52.660 15.023 -0.423 68 HA ARG 10 HA ARG 10 49.891 15.308 0.754 69 HB2 ARG 10 HB2 ARG 10 49.345 16.607 -1.258 70 HB3 ARG 10 HB1 ARG 10 50.720 17.341 -0.399 71 HG2 ARG 10 HG2 ARG 10 52.259 16.048 -1.958 72 HG3 ARG 10 HG1 ARG 10 50.816 15.599 -2.897 73 HD2 ARG 10 HD2 ARG 10 51.846 18.415 -2.351 74 HD3 ARG 10 HD1 ARG 10 51.794 17.575 -3.920 75 HE ARG 10 HE ARG 10 49.145 17.593 -3.024 76 HH11 ARG 10 HH11 ARG 10 49.400 20.120 -1.719 77 HH12 ARG 10 HH12 ARG 10 49.291 21.289 -2.991 78 HH21 ARG 10 HH21 ARG 10 49.963 19.003 -5.509 79 HH22 ARG 10 HH22 ARG 10 49.608 20.656 -5.138 80 H HIS 11 HN HIS 11 51.875 13.107 -0.635 81 HA HIS 11 HA HIS 11 49.578 11.561 -1.665 82 HB2 HIS 11 HB2 HIS 11 50.369 12.883 -3.658 83 HB3 HIS 11 HB1 HIS 11 51.969 12.127 -3.466 84 HD1 HIS 11 HD1 HIS 11 48.337 10.822 -3.521 85 HD2 HIS 11 HD2 HIS 11 52.101 9.996 -5.200 86 HE1 HIS 11 HE1 HIS 11 48.080 8.739 -4.976 87 H ALA 12 HN ALA 12 49.789 9.514 -1.723 88 HA ALA 12 HA ALA 12 50.531 7.414 -1.204 89 HB1 ALA 12 HB1 ALA 12 52.835 6.996 -1.107 90 HB2 ALA 12 HB2 ALA 12 53.094 8.678 -0.647 91 HB3 ALA 12 HB3 ALA 12 52.635 8.291 -2.308 92 H ALA 13 HN ALA 13 51.672 10.228 0.595 93 HA ALA 13 HA ALA 13 51.790 8.804 3.151 94 HB1 ALA 13 HB1 ALA 13 51.277 11.084 4.085 95 HB2 ALA 13 HB2 ALA 13 51.044 11.703 2.432 96 HB3 ALA 13 HB3 ALA 13 52.657 11.171 2.964 97 H LYS 14 HN LYS 14 50.277 9.035 0.359 98 HA LYS 14 HA LYS 14 47.382 8.747 1.504 99 HB2 LYS 14 HB2 LYS 14 48.134 10.553 -0.233 100 HB3 LYS 14 HB1 LYS 14 48.382 9.150 -1.337 101 HG2 LYS 14 HG2 LYS 14 46.096 8.911 -1.690 102 HG3 LYS 14 HG1 LYS 14 45.676 9.248 0.003 103 HD2 LYS 14 HD2 LYS 14 46.049 11.681 -0.415 104 HD3 LYS 14 HD1 LYS 14 46.401 11.313 -2.122 105 HE2 LYS 14 HE2 LYS 14 43.789 10.705 -0.666 106 HE3 LYS 14 HE1 LYS 14 44.044 12.011 -1.848 107 HZ1 LYS 14 HZ1 LYS 14 44.735 10.221 -3.441 108 HZ2 LYS 14 HZ2 LYS 14 43.094 10.199 -3.005 109 HZ3 LYS 14 HZ3 LYS 14 44.171 9.080 -2.321 110 H HIS 15 HN HIS 15 46.190 7.595 -0.547 111 HA HIS 15 HA HIS 15 45.622 5.393 -1.129 112 HB2 HIS 15 HB2 HIS 15 46.849 6.517 -3.046 113 HB3 HIS 15 HB1 HIS 15 48.304 5.628 -2.539 114 HD1 HIS 15 HD1 HIS 15 44.636 4.879 -3.441 115 HD2 HIS 15 HD2 HIS 15 48.459 3.163 -3.764 116 HE1 HIS 15 HE1 HIS 15 44.374 2.663 -4.685 117 H ILE 16 HN ILE 16 47.454 5.655 1.296 118 HA ILE 16 HA ILE 16 47.646 3.080 1.991 119 HB ILE 16 HB ILE 16 49.254 2.401 0.382 120 HG12 ILE 16 HG12 ILE 16 51.172 3.140 2.618 121 HG13 ILE 16 HG11 ILE 16 49.839 2.026 2.962 122 HG21 ILE 16 HG21 ILE 16 49.954 4.577 -0.527 123 HG22 ILE 16 HG22 ILE 16 51.409 3.754 0.055 124 HG23 ILE 16 HG23 ILE 16 50.672 5.022 1.032 125 HD11 ILE 16 HD1 ILE 16 51.775 0.706 2.349 126 HD12 ILE 16 HD2 ILE 16 52.029 1.660 0.873 127 HD13 ILE 16 HD3 ILE 16 50.608 0.601 1.014 128 H GLY 17 HN GLY 17 49.364 5.914 1.976 129 HA2 GLY 17 HA1 GLY 17 49.967 5.786 4.845 130 HA3 GLY 17 HA2 GLY 17 50.175 7.197 3.787 131 H HIS 18 HN HIS 18 47.371 6.307 2.691 132 HA HIS 18 HA HIS 18 45.840 8.005 4.641 133 HB2 HIS 18 HB2 HIS 18 45.608 7.261 1.761 134 HB3 HIS 18 HB1 HIS 18 44.056 7.258 2.615 135 HD1 HIS 18 HD1 HIS 18 43.295 9.385 1.287 136 HD2 HIS 18 HD2 HIS 18 46.731 9.965 3.637 137 HE1 HIS 18 HE1 HIS 18 43.659 11.904 1.495 138 H ALA 19 HN ALA 19 45.795 4.678 3.190 139 HA ALA 19 HA ALA 19 44.628 3.634 5.655 140 HB1 ALA 19 HB1 ALA 19 42.750 3.629 3.277 141 HB2 ALA 19 HB2 ALA 19 42.670 4.860 4.562 142 HB3 ALA 19 HB3 ALA 19 42.410 3.145 4.956 143 H ALA 20 HN ALA 20 46.847 2.916 4.006 144 HA ALA 20 HA ALA 20 47.782 0.955 3.204 145 HB1 ALA 20 HB1 ALA 20 45.204 -0.564 3.619 146 HB2 ALA 20 HB2 ALA 20 46.145 -0.007 5.021 147 HB3 ALA 20 HB3 ALA 20 46.884 -1.106 3.834 148 H VAL 21 HN VAL 21 44.786 2.225 1.985 149 HA VAL 21 HA VAL 21 45.561 1.313 -0.742 150 HB VAL 21 HB VAL 21 42.725 0.899 0.296 151 HG11 VAL 21 HG11 VAL 21 42.914 1.325 -2.117 152 HG12 VAL 21 HG12 VAL 21 42.522 -0.388 -1.837 153 HG13 VAL 21 HG13 VAL 21 44.185 0.088 -2.258 154 HG21 VAL 21 HG21 VAL 21 45.019 -1.076 -0.080 155 HG22 VAL 21 HG22 VAL 21 43.315 -1.560 0.093 156 HG23 VAL 21 HG23 VAL 21 44.140 -0.720 1.426 157 H ASN 22 HN ASN 22 43.599 3.271 1.443 158 HA ASN 22 HA ASN 22 43.860 5.749 0.406 159 HB2 ASN 22 HB2 ASN 22 43.255 5.356 -1.846 160 HB3 ASN 22 HB1 ASN 22 41.961 4.218 -1.403 161 HD21 ASN 22 HD21 ASN 22 39.865 5.065 -1.405 162 HD22 ASN 22 HD22 ASN 22 39.497 6.793 -1.375 163 H HIS 23 HN HIS 23 41.209 3.428 1.045 164 HA HIS 23 HA HIS 23 40.479 4.880 3.471 165 HB2 HIS 23 HB2 HIS 23 38.181 5.464 2.770 166 HB3 HIS 23 HB1 HIS 23 39.395 6.341 1.808 167 HD1 HIS 23 HD1 HIS 23 39.732 3.112 0.488 168 HD2 HIS 23 HD2 HIS 23 36.656 5.966 0.199 169 HE1 HIS 23 HE1 HIS 23 38.376 2.560 -1.606 170 H TYR 24 HN TYR 24 41.236 2.495 3.719 171 HA TYR 24 HA TYR 24 39.653 0.298 2.995 172 HB2 TYR 24 HB2 TYR 24 41.836 0.194 4.207 173 HB3 TYR 24 HB1 TYR 24 41.007 0.730 5.688 174 HD1 TYR 24 HD1 TYR 24 41.370 -2.024 3.227 175 HD2 TYR 24 HD2 TYR 24 39.474 -0.746 6.887 176 HE1 TYR 24 HE1 TYR 24 40.680 -4.374 3.690 177 HE2 TYR 24 HE2 TYR 24 38.783 -3.094 7.349 178 HH TYR 24 HH TYR 24 39.012 -5.223 6.742 179 H LEU 25 HN LEU 25 38.800 2.965 4.966 180 HA LEU 25 HA LEU 25 36.914 1.633 6.712 181 HB2 LEU 25 HB2 LEU 25 36.727 4.514 5.768 182 HB3 LEU 25 HB1 LEU 25 36.192 3.819 7.316 183 HG LEU 25 HG LEU 25 39.075 4.108 6.360 184 HD11 LEU 25 HD11 LEU 25 38.035 6.218 7.101 185 HD12 LEU 25 HD12 LEU 25 39.235 5.667 8.294 186 HD13 LEU 25 HD13 LEU 25 37.498 5.440 8.608 187 HD21 LEU 25 HD21 LEU 25 39.015 2.101 7.658 188 HD22 LEU 25 HD22 LEU 25 37.830 2.776 8.801 189 HD23 LEU 25 HD23 LEU 25 39.511 3.362 8.808 Start of MODEL 49 1 H1 GLY 1 HT1 GLY 1 67.160 19.921 -6.646 2 H2 GLY 1 HT2 GLY 1 66.016 18.668 -6.735 3 H3 GLY 1 HT3 GLY 1 67.502 18.527 -7.548 4 HA2 GLY 1 HA1 GLY 1 68.426 17.615 -5.830 5 HA3 GLY 1 HA2 GLY 1 68.018 19.052 -4.872 6 H TRP 2 HN TRP 2 65.257 18.988 -4.890 7 HA TRP 2 HA TRP 2 64.758 17.028 -2.837 8 HB2 TRP 2 HB2 TRP 2 62.774 18.652 -4.480 9 HB3 TRP 2 HB1 TRP 2 62.442 17.833 -2.935 10 HD1 TRP 2 HD1 TRP 2 63.961 20.950 -4.406 11 HE1 TRP 2 HE1 TRP 2 64.767 22.547 -2.519 12 HE3 TRP 2 HE3 TRP 2 63.467 17.788 -0.410 13 HZ2 TRP 2 HZ2 TRP 2 65.136 22.434 0.335 14 HZ3 TRP 2 HZ3 TRP 2 64.052 18.554 1.885 15 HH2 TRP 2 HH2 TRP 2 64.886 20.871 2.262 16 H GLY 3 HN GLY 3 63.271 17.381 -6.097 17 HA2 GLY 3 HA1 GLY 3 62.479 15.771 -7.556 18 HA3 GLY 3 HA2 GLY 3 63.604 14.631 -6.791 19 H SER 4 HN SER 4 61.425 16.145 -4.619 20 HA SER 4 HA SER 4 59.214 14.281 -4.961 21 HB2 SER 4 HB2 SER 4 59.548 12.934 -2.978 22 HB3 SER 4 HB1 SER 4 60.999 12.788 -3.994 23 HG SER 4 HG SER 4 60.712 13.799 -1.483 24 H ILE 5 HN ILE 5 58.981 16.900 -4.939 25 HA ILE 5 HA ILE 5 58.633 17.946 -2.207 26 HB ILE 5 HB ILE 5 59.364 19.430 -4.054 27 HG12 ILE 5 HG12 ILE 5 56.568 20.164 -3.058 28 HG13 ILE 5 HG11 ILE 5 58.039 20.274 -2.064 29 HG21 ILE 5 HG21 ILE 5 57.963 19.961 -5.914 30 HG22 ILE 5 HG22 ILE 5 56.552 19.160 -5.187 31 HG23 ILE 5 HG23 ILE 5 57.917 18.188 -5.785 32 HD11 ILE 5 HD1 ILE 5 57.704 22.465 -2.968 33 HD12 ILE 5 HD2 ILE 5 57.367 21.826 -4.593 34 HD13 ILE 5 HD3 ILE 5 59.018 21.752 -3.930 35 H PHE 6 HN PHE 6 56.537 16.935 -4.942 36 HA PHE 6 HA PHE 6 54.123 17.355 -3.247 37 HB2 PHE 6 HB2 PHE 6 52.865 16.836 -5.261 38 HB3 PHE 6 HB1 PHE 6 54.127 18.027 -5.651 39 HD1 PHE 6 HD1 PHE 6 56.051 17.426 -7.035 40 HD2 PHE 6 HD2 PHE 6 53.065 14.489 -5.997 41 HE1 PHE 6 HE1 PHE 6 56.964 15.886 -8.768 42 HE2 PHE 6 HE2 PHE 6 53.976 12.950 -7.730 43 HZ PHE 6 HZ PHE 6 55.861 13.691 -9.182 44 H LYS 7 HN LYS 7 56.072 14.742 -4.670 45 HA LYS 7 HA LYS 7 54.343 12.565 -4.261 46 HB2 LYS 7 HB2 LYS 7 57.360 12.734 -3.884 47 HB3 LYS 7 HB1 LYS 7 56.439 11.212 -3.948 48 HG2 LYS 7 HG2 LYS 7 55.539 11.956 -6.204 49 HG3 LYS 7 HG1 LYS 7 56.693 13.311 -6.142 50 HD2 LYS 7 HD2 LYS 7 58.564 11.683 -5.899 51 HD3 LYS 7 HD1 LYS 7 57.397 10.345 -6.023 52 HE2 LYS 7 HE2 LYS 7 58.347 10.680 -8.224 53 HE3 LYS 7 HE1 LYS 7 56.679 11.298 -8.264 54 HZ1 LYS 7 HZ1 LYS 7 58.407 12.786 -9.269 55 HZ2 LYS 7 HZ2 LYS 7 59.040 13.018 -7.709 56 HZ3 LYS 7 HZ3 LYS 7 57.454 13.509 -8.067 57 H HIS 8 HN HIS 8 57.111 12.892 -2.057 58 HA HIS 8 HA HIS 8 55.501 11.810 0.143 59 HB2 HIS 8 HB2 HIS 8 57.916 11.256 -0.190 60 HB3 HIS 8 HB1 HIS 8 58.324 12.950 0.173 61 HD1 HIS 8 HD1 HIS 8 55.588 12.581 2.285 62 HD2 HIS 8 HD2 HIS 8 59.412 10.833 2.374 63 HE1 HIS 8 HE1 HIS 8 56.039 11.858 4.693 64 H GLY 9 HN GLY 9 53.967 13.769 -0.239 65 HA2 GLY 9 HA1 GLY 9 54.415 15.573 2.012 66 HA3 GLY 9 HA2 GLY 9 54.518 16.389 0.440 67 H ARG 10 HN ARG 10 52.569 14.561 -0.817 68 HA ARG 10 HA ARG 10 50.064 15.005 0.697 69 HB2 ARG 10 HB2 ARG 10 49.044 16.269 -1.241 70 HB3 ARG 10 HB1 ARG 10 50.265 17.185 -0.324 71 HG2 ARG 10 HG2 ARG 10 51.979 16.617 -2.006 72 HG3 ARG 10 HG1 ARG 10 50.783 15.665 -2.918 73 HD2 ARG 10 HD2 ARG 10 51.110 17.983 -3.839 74 HD3 ARG 10 HD1 ARG 10 49.436 17.662 -3.329 75 HE ARG 10 HE ARG 10 50.742 18.802 -1.102 76 HH11 ARG 10 HH11 ARG 10 50.337 20.988 -0.661 77 HH12 ARG 10 HH12 ARG 10 50.043 22.078 -1.974 78 HH21 ARG 10 HH21 ARG 10 50.199 19.611 -4.406 79 HH22 ARG 10 HH22 ARG 10 49.963 21.298 -4.093 80 H HIS 11 HN HIS 11 51.690 12.785 -0.430 81 HA HIS 11 HA HIS 11 49.464 11.319 -1.569 82 HB2 HIS 11 HB2 HIS 11 50.289 12.610 -3.589 83 HB3 HIS 11 HB1 HIS 11 51.845 11.764 -3.410 84 HD1 HIS 11 HD1 HIS 11 48.109 10.853 -3.656 85 HD2 HIS 11 HD2 HIS 11 51.881 9.298 -4.669 86 HE1 HIS 11 HE1 HIS 11 47.717 8.715 -4.997 87 H ALA 12 HN ALA 12 49.659 9.262 -1.622 88 HA ALA 12 HA ALA 12 50.377 7.165 -1.073 89 HB1 ALA 12 HB1 ALA 12 52.954 8.405 -0.528 90 HB2 ALA 12 HB2 ALA 12 52.487 8.005 -2.185 91 HB3 ALA 12 HB3 ALA 12 52.680 6.727 -0.958 92 H ALA 13 HN ALA 13 51.534 9.986 0.700 93 HA ALA 13 HA ALA 13 51.627 8.587 3.271 94 HB1 ALA 13 HB1 ALA 13 52.524 10.875 3.269 95 HB2 ALA 13 HB2 ALA 13 50.949 10.953 4.092 96 HB3 ALA 13 HB3 ALA 13 51.098 11.486 2.400 97 H LYS 14 HN LYS 14 50.136 8.797 0.470 98 HA LYS 14 HA LYS 14 47.234 8.540 1.608 99 HB2 LYS 14 HB2 LYS 14 48.005 10.335 -0.137 100 HB3 LYS 14 HB1 LYS 14 48.245 8.922 -1.232 101 HG2 LYS 14 HG2 LYS 14 45.956 8.694 -1.583 102 HG3 LYS 14 HG1 LYS 14 45.537 9.052 0.107 103 HD2 LYS 14 HD2 LYS 14 45.796 11.450 -0.292 104 HD3 LYS 14 HD1 LYS 14 46.377 11.145 -1.947 105 HE2 LYS 14 HE2 LYS 14 44.185 10.037 -2.464 106 HE3 LYS 14 HE1 LYS 14 43.610 10.491 -0.842 107 HZ1 LYS 14 HZ1 LYS 14 44.765 12.613 -2.488 108 HZ2 LYS 14 HZ2 LYS 14 43.456 12.663 -1.407 109 HZ3 LYS 14 HZ3 LYS 14 43.250 12.020 -2.966 110 H HIS 15 HN HIS 15 46.042 7.387 -0.434 111 HA HIS 15 HA HIS 15 45.456 5.190 -0.996 112 HB2 HIS 15 HB2 HIS 15 46.642 6.246 -2.945 113 HB3 HIS 15 HB1 HIS 15 48.133 5.429 -2.416 114 HD1 HIS 15 HD1 HIS 15 44.590 3.976 -2.362 115 HD2 HIS 15 HD2 HIS 15 48.290 3.351 -4.261 116 HE1 HIS 15 HE1 HIS 15 44.378 1.851 -3.764 117 H ILE 16 HN ILE 16 47.319 5.462 1.412 118 HA ILE 16 HA ILE 16 47.458 2.883 2.139 119 HB ILE 16 HB ILE 16 49.050 2.200 0.511 120 HG12 ILE 16 HG12 ILE 16 50.813 2.871 2.899 121 HG13 ILE 16 HG11 ILE 16 49.549 1.627 2.992 122 HG21 ILE 16 HG21 ILE 16 49.816 4.362 -0.348 123 HG22 ILE 16 HG22 ILE 16 51.248 3.515 0.265 124 HG23 ILE 16 HG23 ILE 16 50.495 4.781 1.237 125 HD11 ILE 16 HD1 ILE 16 52.092 1.634 1.337 126 HD12 ILE 16 HD2 ILE 16 50.704 0.644 0.829 127 HD13 ILE 16 HD3 ILE 16 51.459 0.373 2.414 128 H GLY 17 HN GLY 17 49.089 5.766 2.124 129 HA2 GLY 17 HA1 GLY 17 49.709 5.617 5.002 130 HA3 GLY 17 HA2 GLY 17 49.933 7.027 3.946 131 H HIS 18 HN HIS 18 47.141 6.113 2.815 132 HA HIS 18 HA HIS 18 45.570 7.782 4.779 133 HB2 HIS 18 HB2 HIS 18 45.375 7.127 1.860 134 HB3 HIS 18 HB1 HIS 18 43.820 7.221 2.710 135 HD1 HIS 18 HD1 HIS 18 46.741 9.367 3.802 136 HD2 HIS 18 HD2 HIS 18 43.200 9.755 1.564 137 HE1 HIS 18 HE1 HIS 18 46.348 11.864 3.424 138 H ALA 19 HN ALA 19 45.485 4.562 3.109 139 HA ALA 19 HA ALA 19 44.585 3.110 5.343 140 HB1 ALA 19 HB1 ALA 19 42.534 4.214 5.626 141 HB2 ALA 19 HB2 ALA 19 42.056 2.886 4.552 142 HB3 ALA 19 HB3 ALA 19 42.337 4.512 3.883 143 H ALA 20 HN ALA 20 45.680 3.334 2.343 144 HA ALA 20 HA ALA 20 45.993 1.813 0.611 145 HB1 ALA 20 HB1 ALA 20 46.117 -0.503 1.165 146 HB2 ALA 20 HB2 ALA 20 44.972 -0.320 2.516 147 HB3 ALA 20 HB3 ALA 20 46.609 0.371 2.632 148 H VAL 21 HN VAL 21 43.244 2.889 1.650 149 HA VAL 21 HA VAL 21 41.651 1.653 -0.533 150 HB VAL 21 HB VAL 21 40.698 1.786 2.368 151 HG11 VAL 21 HG11 VAL 21 38.712 0.472 1.265 152 HG12 VAL 21 HG12 VAL 21 39.326 1.130 -0.268 153 HG13 VAL 21 HG13 VAL 21 38.791 2.229 1.025 154 HG21 VAL 21 HG21 VAL 21 42.187 -0.111 2.082 155 HG22 VAL 21 HG22 VAL 21 41.417 -0.552 0.540 156 HG23 VAL 21 HG23 VAL 21 40.526 -0.739 2.069 157 H ASN 22 HN ASN 22 42.776 4.150 1.369 158 HA ASN 22 HA ASN 22 42.535 6.457 0.875 159 HB2 ASN 22 HB2 ASN 22 39.662 6.005 0.000 160 HB3 ASN 22 HB1 ASN 22 40.691 7.425 -0.270 161 HD21 ASN 22 HD21 ASN 22 43.062 5.487 -0.830 162 HD22 ASN 22 HD22 ASN 22 42.773 4.978 -2.497 163 H HIS 23 HN HIS 23 39.971 4.493 2.277 164 HA HIS 23 HA HIS 23 40.152 5.852 4.812 165 HB2 HIS 23 HB2 HIS 23 38.936 7.628 3.569 166 HB3 HIS 23 HB1 HIS 23 37.658 6.455 3.171 167 HD1 HIS 23 HD1 HIS 23 39.365 8.026 6.227 168 HD2 HIS 23 HD2 HIS 23 35.785 6.075 5.201 169 HE1 HIS 23 HE1 HIS 23 37.802 8.195 8.242 170 H TYR 24 HN TYR 24 40.303 3.760 5.590 171 HA TYR 24 HA TYR 24 37.747 2.475 6.125 172 HB2 TYR 24 HB2 TYR 24 38.286 1.681 3.773 173 HB3 TYR 24 HB1 TYR 24 39.731 0.890 4.446 174 HD1 TYR 24 HD1 TYR 24 39.544 -1.290 5.372 175 HD2 TYR 24 HD2 TYR 24 36.002 1.138 4.921 176 HE1 TYR 24 HE1 TYR 24 38.133 -3.217 6.082 177 HE2 TYR 24 HE2 TYR 24 34.593 -0.790 5.633 178 HH TYR 24 HH TYR 24 36.073 -3.916 6.557 179 H LEU 25 HN LEU 25 40.608 3.476 7.057 180 HA LEU 25 HA LEU 25 42.079 1.436 8.230 181 HB2 LEU 25 HB2 LEU 25 42.370 3.185 10.197 182 HB3 LEU 25 HB1 LEU 25 42.962 3.578 8.568 183 HG LEU 25 HG LEU 25 40.963 4.889 8.090 184 HD11 LEU 25 HD11 LEU 25 40.027 3.812 10.779 185 HD12 LEU 25 HD12 LEU 25 39.210 3.695 9.201 186 HD13 LEU 25 HD13 LEU 25 39.310 5.260 10.036 187 HD21 LEU 25 HD21 LEU 25 41.230 6.661 9.804 188 HD22 LEU 25 HD22 LEU 25 42.807 5.994 9.313 189 HD23 LEU 25 HD23 LEU 25 42.076 5.508 10.862 Start of MODEL 50 1 H1 GLY 1 HT1 GLY 1 65.945 10.496 -1.577 2 H2 GLY 1 HT2 GLY 1 67.071 9.367 -0.987 3 H3 GLY 1 HT3 GLY 1 65.599 8.837 -1.652 4 HA2 GLY 1 HA1 GLY 1 68.051 9.579 -2.916 5 HA3 GLY 1 HA2 GLY 1 66.750 8.511 -3.475 6 H TRP 2 HN TRP 2 65.172 9.267 -4.815 7 HA TRP 2 HA TRP 2 65.724 11.470 -6.472 8 HB2 TRP 2 HB2 TRP 2 62.965 10.380 -5.792 9 HB3 TRP 2 HB1 TRP 2 63.429 11.266 -7.264 10 HD1 TRP 2 HD1 TRP 2 63.676 7.865 -5.587 11 HE1 TRP 2 HE1 TRP 2 64.617 6.114 -7.265 12 HE3 TRP 2 HE3 TRP 2 65.010 11.024 -9.389 13 HZ2 TRP 2 HZ2 TRP 2 65.784 6.119 -9.896 14 HZ3 TRP 2 HZ3 TRP 2 66.036 10.129 -11.474 15 HH2 TRP 2 HH2 TRP 2 66.423 7.682 -11.731 16 H GLY 3 HN GLY 3 64.064 13.344 -6.787 17 HA2 GLY 3 HA1 GLY 3 64.333 15.029 -4.445 18 HA3 GLY 3 HA2 GLY 3 63.523 15.447 -5.967 19 H SER 4 HN SER 4 61.998 12.743 -5.444 20 HA SER 4 HA SER 4 59.832 12.299 -4.730 21 HB2 SER 4 HB2 SER 4 59.450 12.620 -2.299 22 HB3 SER 4 HB1 SER 4 61.036 11.894 -2.636 23 HG SER 4 HG SER 4 61.064 13.674 -1.118 24 H ILE 5 HN ILE 5 59.020 13.871 -6.311 25 HA ILE 5 HA ILE 5 58.434 16.580 -5.620 26 HB ILE 5 HB ILE 5 56.754 14.805 -7.439 27 HG12 ILE 5 HG12 ILE 5 58.989 14.436 -8.190 28 HG13 ILE 5 HG11 ILE 5 58.344 15.685 -9.269 29 HG21 ILE 5 HG21 ILE 5 57.207 17.803 -7.187 30 HG22 ILE 5 HG22 ILE 5 55.681 16.899 -7.172 31 HG23 ILE 5 HG23 ILE 5 56.589 17.077 -8.689 32 HD11 ILE 5 HD1 ILE 5 59.435 17.400 -7.667 33 HD12 ILE 5 HD2 ILE 5 60.532 16.430 -8.669 34 HD13 ILE 5 HD3 ILE 5 60.294 16.014 -6.957 35 H PHE 6 HN PHE 6 57.758 16.349 -3.377 36 HA PHE 6 HA PHE 6 56.132 16.232 -1.727 37 HB2 PHE 6 HB2 PHE 6 54.161 16.616 -4.009 38 HB3 PHE 6 HB1 PHE 6 53.947 17.067 -2.301 39 HD1 PHE 6 HD1 PHE 6 55.970 18.580 -1.335 40 HD2 PHE 6 HD2 PHE 6 54.794 18.354 -5.484 41 HE1 PHE 6 HE1 PHE 6 57.029 20.795 -1.759 42 HE2 PHE 6 HE2 PHE 6 55.852 20.568 -5.904 43 HZ PHE 6 HZ PHE 6 56.981 21.782 -4.046 44 H LYS 7 HN LYS 7 56.673 13.823 -3.749 45 HA LYS 7 HA LYS 7 54.320 12.205 -3.693 46 HB2 LYS 7 HB2 LYS 7 56.395 11.797 -5.073 47 HB3 LYS 7 HB1 LYS 7 57.200 11.231 -3.588 48 HG2 LYS 7 HG2 LYS 7 55.534 9.465 -3.302 49 HG3 LYS 7 HG1 LYS 7 54.603 10.072 -4.694 50 HD2 LYS 7 HD2 LYS 7 56.459 9.568 -6.209 51 HD3 LYS 7 HD1 LYS 7 57.481 9.071 -4.838 52 HE2 LYS 7 HE2 LYS 7 54.849 7.749 -5.630 53 HE3 LYS 7 HE1 LYS 7 56.467 7.114 -6.011 54 HZ1 LYS 7 HZ1 LYS 7 56.571 6.226 -3.998 55 HZ2 LYS 7 HZ2 LYS 7 54.995 6.767 -3.666 56 HZ3 LYS 7 HZ3 LYS 7 56.330 7.737 -3.266 57 H HIS 8 HN HIS 8 56.980 12.656 -1.371 58 HA HIS 8 HA HIS 8 56.196 10.522 0.393 59 HB2 HIS 8 HB2 HIS 8 58.418 11.742 0.396 60 HB3 HIS 8 HB1 HIS 8 57.587 13.118 1.160 61 HD1 HIS 8 HD1 HIS 8 58.182 9.366 1.741 62 HD2 HIS 8 HD2 HIS 8 57.402 12.882 3.913 63 HE1 HIS 8 HE1 HIS 8 58.276 8.765 4.222 64 H GLY 9 HN GLY 9 54.482 13.160 -0.550 65 HA2 GLY 9 HA1 GLY 9 52.795 13.067 1.913 66 HA3 GLY 9 HA2 GLY 9 53.375 14.643 1.334 67 H ARG 10 HN ARG 10 51.010 15.064 1.216 68 HA ARG 10 HA ARG 10 49.038 15.222 -0.009 69 HB2 ARG 10 HB2 ARG 10 51.023 14.854 -2.285 70 HB3 ARG 10 HB1 ARG 10 49.346 15.419 -2.479 71 HG2 ARG 10 HG2 ARG 10 49.831 17.328 -0.953 72 HG3 ARG 10 HG1 ARG 10 51.522 16.780 -0.830 73 HD2 ARG 10 HD2 ARG 10 51.778 17.026 -3.285 74 HD3 ARG 10 HD1 ARG 10 50.095 17.592 -3.401 75 HE ARG 10 HE ARG 10 51.581 19.200 -1.515 76 HH11 ARG 10 HH11 ARG 10 51.925 21.344 -2.170 77 HH12 ARG 10 HH12 ARG 10 51.997 21.712 -3.861 78 HH21 ARG 10 HH21 ARG 10 51.317 18.465 -4.870 79 HH22 ARG 10 HH22 ARG 10 51.654 20.083 -5.389 80 H HIS 11 HN HIS 11 49.592 13.583 -2.821 81 HA HIS 11 HA HIS 11 47.832 11.408 -1.967 82 HB2 HIS 11 HB2 HIS 11 48.025 10.691 -4.380 83 HB3 HIS 11 HB1 HIS 11 47.433 12.356 -4.170 84 HD1 HIS 11 HD1 HIS 11 51.061 11.819 -3.504 85 HD2 HIS 11 HD2 HIS 11 48.658 12.874 -6.790 86 HE1 HIS 11 HE1 HIS 11 52.601 12.810 -5.287 87 H ALA 12 HN ALA 12 49.255 10.775 -0.380 88 HA ALA 12 HA ALA 12 50.430 8.281 -0.957 89 HB1 ALA 12 HB1 ALA 12 52.780 9.035 -0.435 90 HB2 ALA 12 HB2 ALA 12 52.079 10.671 -0.493 91 HB3 ALA 12 HB3 ALA 12 52.170 9.693 -1.972 92 H ALA 13 HN ALA 13 50.328 11.329 0.721 93 HA ALA 13 HA ALA 13 50.734 10.215 3.410 94 HB1 ALA 13 HB1 ALA 13 48.922 12.527 2.505 95 HB2 ALA 13 HB2 ALA 13 50.645 12.753 2.891 96 HB3 ALA 13 HB3 ALA 13 49.511 12.218 4.155 97 H LYS 14 HN LYS 14 49.396 9.847 0.500 98 HA LYS 14 HA LYS 14 46.769 8.504 1.496 99 HB2 LYS 14 HB2 LYS 14 46.968 10.407 -0.263 100 HB3 LYS 14 HB1 LYS 14 47.827 9.163 -1.271 101 HG2 LYS 14 HG2 LYS 14 45.818 8.092 -1.788 102 HG3 LYS 14 HG1 LYS 14 45.135 8.317 -0.161 103 HD2 LYS 14 HD2 LYS 14 44.499 10.602 -0.674 104 HD3 LYS 14 HD1 LYS 14 45.372 10.549 -2.225 105 HE2 LYS 14 HE2 LYS 14 43.080 8.665 -1.538 106 HE3 LYS 14 HE1 LYS 14 42.852 10.208 -2.396 107 HZ1 LYS 14 HZ1 LYS 14 44.261 7.772 -3.282 108 HZ2 LYS 14 HZ2 LYS 14 44.717 9.282 -3.913 109 HZ3 LYS 14 HZ3 LYS 14 43.126 8.721 -4.113 110 H HIS 15 HN HIS 15 46.252 6.951 -0.569 111 HA HIS 15 HA HIS 15 46.545 4.684 -1.088 112 HB2 HIS 15 HB2 HIS 15 49.035 5.937 -2.300 113 HB3 HIS 15 HB1 HIS 15 48.236 4.441 -2.837 114 HD1 HIS 15 HD1 HIS 15 48.252 8.072 -3.344 115 HD2 HIS 15 HD2 HIS 15 45.495 4.941 -3.848 116 HE1 HIS 15 HE1 HIS 15 46.353 8.956 -4.806 117 H ILE 16 HN ILE 16 47.975 5.646 1.446 118 HA ILE 16 HA ILE 16 48.978 3.315 2.280 119 HB ILE 16 HB ILE 16 50.844 3.195 0.831 120 HG12 ILE 16 HG12 ILE 16 51.299 3.148 3.486 121 HG13 ILE 16 HG11 ILE 16 52.611 2.966 2.315 122 HG21 ILE 16 HG21 ILE 16 52.417 5.155 0.497 123 HG22 ILE 16 HG22 ILE 16 51.265 6.165 1.376 124 HG23 ILE 16 HG23 ILE 16 50.799 5.433 -0.161 125 HD11 ILE 16 HD1 ILE 16 53.303 5.268 2.614 126 HD12 ILE 16 HD2 ILE 16 53.075 4.570 4.227 127 HD13 ILE 16 HD3 ILE 16 51.847 5.655 3.555 128 H GLY 17 HN GLY 17 49.609 6.567 2.249 129 HA2 GLY 17 HA1 GLY 17 49.963 6.719 5.153 130 HA3 GLY 17 HA2 GLY 17 49.753 8.090 4.046 131 H HIS 18 HN HIS 18 47.526 6.248 2.799 132 HA HIS 18 HA HIS 18 45.353 7.328 4.579 133 HB2 HIS 18 HB2 HIS 18 45.596 6.502 1.718 134 HB3 HIS 18 HB1 HIS 18 44.075 6.005 2.481 135 HD1 HIS 18 HD1 HIS 18 45.797 9.171 3.615 136 HD2 HIS 18 HD2 HIS 18 42.662 8.054 1.046 137 HE1 HIS 18 HE1 HIS 18 44.484 11.289 3.050 138 H ALA 19 HN ALA 19 46.573 4.190 3.238 139 HA ALA 19 HA ALA 19 45.666 2.807 5.646 140 HB1 ALA 19 HB1 ALA 19 43.493 3.256 4.400 141 HB2 ALA 19 HB2 ALA 19 43.831 1.552 4.786 142 HB3 ALA 19 HB3 ALA 19 44.101 2.163 3.133 143 H ALA 20 HN ALA 20 48.129 2.889 4.230 144 HA ALA 20 HA ALA 20 49.743 1.391 3.515 145 HB1 ALA 20 HB1 ALA 20 49.581 -0.869 4.125 146 HB2 ALA 20 HB2 ALA 20 47.820 -0.915 3.881 147 HB3 ALA 20 HB3 ALA 20 48.502 -0.061 5.285 148 H VAL 21 HN VAL 21 46.611 1.566 2.063 149 HA VAL 21 HA VAL 21 47.823 0.876 -0.565 150 HB VAL 21 HB VAL 21 45.201 -0.403 0.325 151 HG11 VAL 21 HG11 VAL 21 47.026 -0.803 -2.088 152 HG12 VAL 21 HG12 VAL 21 45.442 0.010 -2.097 153 HG13 VAL 21 HG13 VAL 21 45.548 -1.733 -1.750 154 HG21 VAL 21 HG21 VAL 21 46.553 -2.546 0.282 155 HG22 VAL 21 HG22 VAL 21 46.975 -1.448 1.616 156 HG23 VAL 21 HG23 VAL 21 48.023 -1.550 0.181 157 H ASN 22 HN ASN 22 45.140 2.083 1.396 158 HA ASN 22 HA ASN 22 44.652 4.511 0.327 159 HB2 ASN 22 HB2 ASN 22 44.434 3.963 -1.960 160 HB3 ASN 22 HB1 ASN 22 43.579 2.442 -1.618 161 HD21 ASN 22 HD21 ASN 22 41.477 2.634 -2.405 162 HD22 ASN 22 HD22 ASN 22 40.466 4.069 -2.208 163 H HIS 23 HN HIS 23 42.925 1.417 0.799 164 HA HIS 23 HA HIS 23 41.530 2.460 3.117 165 HB2 HIS 23 HB2 HIS 23 40.231 3.587 1.306 166 HB3 HIS 23 HB1 HIS 23 39.850 1.989 0.622 167 HD1 HIS 23 HD1 HIS 23 40.031 1.899 4.293 168 HD2 HIS 23 HD2 HIS 23 37.087 2.825 1.435 169 HE1 HIS 23 HE1 HIS 23 37.766 1.792 5.470 170 H TYR 24 HN TYR 24 43.143 0.298 2.894 171 HA TYR 24 HA TYR 24 41.803 -2.143 2.185 172 HB2 TYR 24 HB2 TYR 24 44.270 -1.905 2.501 173 HB3 TYR 24 HB1 TYR 24 43.998 -1.721 4.251 174 HD1 TYR 24 HD1 TYR 24 43.151 -3.605 5.609 175 HD2 TYR 24 HD2 TYR 24 43.965 -4.060 1.395 176 HE1 TYR 24 HE1 TYR 24 43.066 -6.082 5.861 177 HE2 TYR 24 HE2 TYR 24 43.880 -6.538 1.646 178 HH TYR 24 HH TYR 24 44.204 -8.164 4.269 179 H LEU 25 HN LEU 25 41.740 -0.086 5.026 180 HA LEU 25 HA LEU 25 40.819 -1.903 6.971 181 HB2 LEU 25 HB2 LEU 25 41.393 0.366 7.572 182 HB3 LEU 25 HB1 LEU 25 40.145 1.028 6.495 183 HG LEU 25 HG LEU 25 38.367 0.166 7.903 184 HD11 LEU 25 HD11 LEU 25 40.634 -1.302 9.304 185 HD12 LEU 25 HD12 LEU 25 39.136 -1.974 8.613 186 HD13 LEU 25 HD13 LEU 25 39.072 -1.016 10.110 187 HD21 LEU 25 HD21 LEU 25 40.540 1.310 9.710 188 HD22 LEU 25 HD22 LEU 25 38.780 1.422 9.949 189 HD23 LEU 25 HD23 LEU 25 39.551 2.282 8.595 Start of MODEL 51 1 H1 GLY 1 HT1 GLY 1 64.755 19.114 -4.747 2 H2 GLY 1 HT2 GLY 1 65.082 19.275 -6.408 3 H3 GLY 1 HT3 GLY 1 65.673 20.425 -5.306 4 HA2 GLY 1 HA1 GLY 1 67.419 18.992 -5.999 5 HA3 GLY 1 HA2 GLY 1 67.053 18.780 -4.275 6 H TRP 2 HN TRP 2 65.825 16.943 -3.591 7 HA TRP 2 HA TRP 2 66.626 14.529 -4.902 8 HB2 TRP 2 HB2 TRP 2 64.358 14.941 -2.914 9 HB3 TRP 2 HB1 TRP 2 65.166 13.402 -3.293 10 HD1 TRP 2 HD1 TRP 2 68.076 13.811 -3.094 11 HE1 TRP 2 HE1 TRP 2 69.321 14.700 -0.992 12 HE3 TRP 2 HE3 TRP 2 64.174 16.195 -0.792 13 HZ2 TRP 2 HZ2 TRP 2 68.679 16.238 1.357 14 HZ3 TRP 2 HZ3 TRP 2 64.513 17.366 1.379 15 HH2 TRP 2 HH2 TRP 2 66.759 17.390 2.454 16 H GLY 3 HN GLY 3 64.686 12.783 -5.164 17 HA2 GLY 3 HA1 GLY 3 63.226 13.755 -7.549 18 HA3 GLY 3 HA2 GLY 3 63.375 12.077 -6.990 19 H SER 4 HN SER 4 62.563 14.332 -4.541 20 HA SER 4 HA SER 4 59.629 14.001 -4.928 21 HB2 SER 4 HB2 SER 4 61.055 12.992 -2.435 22 HB3 SER 4 HB1 SER 4 59.301 13.002 -2.722 23 HG SER 4 HG SER 4 60.631 11.838 -4.774 24 H ILE 5 HN ILE 5 59.696 16.278 -5.185 25 HA ILE 5 HA ILE 5 60.720 17.934 -2.976 26 HB ILE 5 HB ILE 5 59.154 18.590 -5.515 27 HG12 ILE 5 HG12 ILE 5 61.300 19.668 -6.166 28 HG13 ILE 5 HG11 ILE 5 62.027 19.145 -4.630 29 HG21 ILE 5 HG21 ILE 5 60.130 20.375 -3.249 30 HG22 ILE 5 HG22 ILE 5 58.495 20.280 -3.943 31 HG23 ILE 5 HG23 ILE 5 59.819 21.003 -4.884 32 HD11 ILE 5 HD1 ILE 5 62.382 17.691 -6.825 33 HD12 ILE 5 HD2 ILE 5 60.757 17.073 -6.447 34 HD13 ILE 5 HD3 ILE 5 62.081 16.882 -5.271 35 H PHE 6 HN PHE 6 57.817 16.245 -3.749 36 HA PHE 6 HA PHE 6 56.544 17.257 -1.305 37 HB2 PHE 6 HB2 PHE 6 54.512 18.099 -2.399 38 HB3 PHE 6 HB1 PHE 6 55.933 19.037 -2.918 39 HD1 PHE 6 HD1 PHE 6 56.705 18.979 -5.211 40 HD2 PHE 6 HD2 PHE 6 53.535 16.356 -3.908 41 HE1 PHE 6 HE1 PHE 6 56.219 18.388 -7.583 42 HE2 PHE 6 HE2 PHE 6 53.050 15.765 -6.279 43 HZ PHE 6 HZ PHE 6 54.352 16.827 -8.119 44 H LYS 7 HN LYS 7 56.822 15.133 -4.024 45 HA LYS 7 HA LYS 7 54.488 13.598 -3.906 46 HB2 LYS 7 HB2 LYS 7 57.364 12.672 -4.266 47 HB3 LYS 7 HB1 LYS 7 55.932 11.673 -4.611 48 HG2 LYS 7 HG2 LYS 7 55.154 13.279 -6.283 49 HG3 LYS 7 HG1 LYS 7 56.484 14.392 -5.878 50 HD2 LYS 7 HD2 LYS 7 58.139 12.741 -6.629 51 HD3 LYS 7 HD1 LYS 7 56.847 11.562 -6.958 52 HE2 LYS 7 HE2 LYS 7 57.577 12.718 -9.035 53 HE3 LYS 7 HE1 LYS 7 55.876 13.073 -8.650 54 HZ1 LYS 7 HZ1 LYS 7 57.944 14.890 -9.014 55 HZ2 LYS 7 HZ2 LYS 7 57.577 14.929 -7.356 56 HZ3 LYS 7 HZ3 LYS 7 56.359 15.217 -8.506 57 H HIS 8 HN HIS 8 57.421 13.292 -1.870 58 HA HIS 8 HA HIS 8 56.229 11.143 -0.271 59 HB2 HIS 8 HB2 HIS 8 58.266 11.474 1.146 60 HB3 HIS 8 HB1 HIS 8 58.643 11.212 -0.573 61 HD1 HIS 8 HD1 HIS 8 60.899 12.553 0.633 62 HD2 HIS 8 HD2 HIS 8 57.475 14.775 -0.381 63 HE1 HIS 8 HE1 HIS 8 61.612 14.997 0.418 64 H GLY 9 HN GLY 9 54.409 13.194 -0.296 65 HA2 GLY 9 HA1 GLY 9 54.110 13.694 2.534 66 HA3 GLY 9 HA2 GLY 9 54.600 15.170 1.678 67 H ARG 10 HN ARG 10 53.059 13.634 -0.680 68 HA ARG 10 HA ARG 10 50.286 14.398 0.199 69 HB2 ARG 10 HB2 ARG 10 51.744 15.333 -2.304 70 HB3 ARG 10 HB1 ARG 10 49.982 15.452 -2.078 71 HG2 ARG 10 HG2 ARG 10 50.297 16.833 -0.073 72 HG3 ARG 10 HG1 ARG 10 52.063 16.659 -0.205 73 HD2 ARG 10 HD2 ARG 10 51.902 17.711 -2.512 74 HD3 ARG 10 HD1 ARG 10 50.194 18.064 -2.156 75 HE ARG 10 HE ARG 10 52.458 19.544 -1.145 76 HH11 ARG 10 HH11 ARG 10 49.678 20.630 -1.400 77 HH12 ARG 10 HH12 ARG 10 49.205 20.813 0.255 78 HH21 ARG 10 HH21 ARG 10 51.723 18.765 1.475 79 HH22 ARG 10 HH22 ARG 10 50.364 19.757 1.884 80 H HIS 11 HN HIS 11 52.057 11.917 -0.495 81 HA HIS 11 HA HIS 11 49.861 10.472 -1.782 82 HB2 HIS 11 HB2 HIS 11 52.517 10.826 -3.229 83 HB3 HIS 11 HB1 HIS 11 51.324 9.568 -3.631 84 HD1 HIS 11 HD1 HIS 11 51.852 13.331 -3.668 85 HD2 HIS 11 HD2 HIS 11 49.100 10.488 -5.086 86 HE1 HIS 11 HE1 HIS 11 50.225 14.552 -5.212 87 H ALA 12 HN ALA 12 49.849 8.428 -1.518 88 HA ALA 12 HA ALA 12 50.293 6.367 -0.615 89 HB1 ALA 12 HB1 ALA 12 52.500 5.786 -0.090 90 HB2 ALA 12 HB2 ALA 12 52.859 7.490 0.180 91 HB3 ALA 12 HB3 ALA 12 52.619 6.902 -1.467 92 H ALA 13 HN ALA 13 51.415 9.327 0.928 93 HA ALA 13 HA ALA 13 51.013 8.322 3.647 94 HB1 ALA 13 HB1 ALA 13 50.845 11.087 2.318 95 HB2 ALA 13 HB2 ALA 13 52.094 10.524 3.454 96 HB3 ALA 13 HB3 ALA 13 50.434 10.817 4.028 97 H LYS 14 HN LYS 14 49.970 8.217 0.640 98 HA LYS 14 HA LYS 14 46.918 8.315 1.325 99 HB2 LYS 14 HB2 LYS 14 48.093 9.774 -0.514 100 HB3 LYS 14 HB1 LYS 14 48.360 8.203 -1.350 101 HG2 LYS 14 HG2 LYS 14 46.134 8.072 -2.017 102 HG3 LYS 14 HG1 LYS 14 45.510 8.698 -0.477 103 HD2 LYS 14 HD2 LYS 14 44.945 10.296 -2.190 104 HD3 LYS 14 HD1 LYS 14 46.258 11.016 -1.234 105 HE2 LYS 14 HE2 LYS 14 47.871 10.027 -2.982 106 HE3 LYS 14 HE1 LYS 14 46.430 9.706 -3.974 107 HZ1 LYS 14 HZ1 LYS 14 47.748 12.209 -3.384 108 HZ2 LYS 14 HZ2 LYS 14 46.059 12.267 -3.205 109 HZ3 LYS 14 HZ3 LYS 14 46.744 11.789 -4.685 110 H HIS 15 HN HIS 15 45.945 6.945 -0.699 111 HA HIS 15 HA HIS 15 45.263 4.732 -1.049 112 HB2 HIS 15 HB2 HIS 15 46.804 5.394 -2.907 113 HB3 HIS 15 HB1 HIS 15 48.137 4.608 -2.027 114 HD1 HIS 15 HD1 HIS 15 48.331 2.079 -2.146 115 HD2 HIS 15 HD2 HIS 15 44.688 3.505 -3.688 116 HE1 HIS 15 HE1 HIS 15 47.165 0.112 -3.284 117 H ILE 16 HN ILE 16 46.790 5.241 1.570 118 HA ILE 16 HA ILE 16 46.586 2.791 2.652 119 HB ILE 16 HB ILE 16 48.335 1.777 1.395 120 HG12 ILE 16 HG12 ILE 16 50.121 1.305 3.019 121 HG13 ILE 16 HG11 ILE 16 49.606 2.678 4.018 122 HG21 ILE 16 HG21 ILE 16 50.643 2.877 1.295 123 HG22 ILE 16 HG22 ILE 16 49.892 4.331 1.959 124 HG23 ILE 16 HG23 ILE 16 49.389 3.730 0.370 125 HD11 ILE 16 HD1 ILE 16 48.736 0.384 4.749 126 HD12 ILE 16 HD2 ILE 16 47.749 0.382 3.268 127 HD13 ILE 16 HD3 ILE 16 47.490 1.629 4.511 128 H GLY 17 HN GLY 17 48.551 5.456 2.514 129 HA2 GLY 17 HA1 GLY 17 48.708 5.740 5.429 130 HA3 GLY 17 HA2 GLY 17 49.181 6.957 4.228 131 H HIS 18 HN HIS 18 46.515 6.100 2.837 132 HA HIS 18 HA HIS 18 44.848 8.148 4.271 133 HB2 HIS 18 HB2 HIS 18 44.986 6.981 1.526 134 HB3 HIS 18 HB1 HIS 18 43.329 7.214 2.116 135 HD1 HIS 18 HD1 HIS 18 42.991 9.147 0.364 136 HD2 HIS 18 HD2 HIS 18 46.052 9.864 3.155 137 HE1 HIS 18 HE1 HIS 18 43.553 11.638 0.256 138 H ALA 19 HN ALA 19 44.694 4.714 3.169 139 HA ALA 19 HA ALA 19 43.584 3.602 5.460 140 HB1 ALA 19 HB1 ALA 19 41.474 5.009 3.809 141 HB2 ALA 19 HB2 ALA 19 41.620 4.884 5.581 142 HB3 ALA 19 HB3 ALA 19 41.060 3.490 4.639 143 H ALA 20 HN ALA 20 44.840 3.407 2.583 144 HA ALA 20 HA ALA 20 45.108 1.713 1.020 145 HB1 ALA 20 HB1 ALA 20 44.935 -0.537 1.777 146 HB2 ALA 20 HB2 ALA 20 43.697 -0.120 2.985 147 HB3 ALA 20 HB3 ALA 20 45.379 0.413 3.213 148 H VAL 21 HN VAL 21 42.392 3.162 1.715 149 HA VAL 21 HA VAL 21 40.831 1.735 -0.412 150 HB VAL 21 HB VAL 21 39.745 2.654 2.293 151 HG11 VAL 21 HG11 VAL 21 38.034 3.165 0.725 152 HG12 VAL 21 HG12 VAL 21 37.602 1.541 1.302 153 HG13 VAL 21 HG13 VAL 21 38.398 1.742 -0.278 154 HG21 VAL 21 HG21 VAL 21 40.931 0.466 2.322 155 HG22 VAL 21 HG22 VAL 21 39.902 -0.103 0.988 156 HG23 VAL 21 HG23 VAL 21 39.182 0.260 2.574 157 H ASN 22 HN ASN 22 42.151 4.501 0.993 158 HA ASN 22 HA ASN 22 42.295 6.561 -0.279 159 HB2 ASN 22 HB2 ASN 22 40.575 5.794 -1.989 160 HB3 ASN 22 HB1 ASN 22 39.316 6.330 -0.841 161 HD21 ASN 22 HD21 ASN 22 40.537 7.389 -3.604 162 HD22 ASN 22 HD22 ASN 22 40.700 9.116 -3.271 163 H HIS 23 HN HIS 23 39.624 5.522 1.775 164 HA HIS 23 HA HIS 23 38.964 6.390 3.834 165 HB2 HIS 23 HB2 HIS 23 41.451 7.371 3.814 166 HB3 HIS 23 HB1 HIS 23 40.622 8.912 3.519 167 HD1 HIS 23 HD1 HIS 23 39.685 5.955 5.805 168 HD2 HIS 23 HD2 HIS 23 40.514 10.071 6.025 169 HE1 HIS 23 HE1 HIS 23 39.259 6.690 8.215 170 H TYR 24 HN TYR 24 37.382 6.639 1.688 171 HA TYR 24 HA TYR 24 36.602 9.432 1.240 172 HB2 TYR 24 HB2 TYR 24 34.846 8.485 -0.155 173 HB3 TYR 24 HB1 TYR 24 36.377 7.645 -0.494 174 HD1 TYR 24 HD1 TYR 24 33.045 7.376 1.113 175 HD2 TYR 24 HD2 TYR 24 36.727 5.321 0.191 176 HE1 TYR 24 HE1 TYR 24 31.980 5.204 1.709 177 HE2 TYR 24 HE2 TYR 24 35.661 3.148 0.788 178 HH TYR 24 HH TYR 24 33.743 2.122 1.283 179 H LEU 25 HN LEU 25 35.960 7.034 3.615 180 HA LEU 25 HA LEU 25 34.476 6.987 5.398 181 HB2 LEU 25 HB2 LEU 25 33.886 9.910 4.811 182 HB3 LEU 25 HB1 LEU 25 33.815 9.062 6.372 183 HG LEU 25 HG LEU 25 36.336 9.590 4.736 184 HD11 LEU 25 HD11 LEU 25 36.912 11.128 6.559 185 HD12 LEU 25 HD12 LEU 25 35.409 10.713 7.417 186 HD13 LEU 25 HD13 LEU 25 35.338 11.587 5.869 187 HD21 LEU 25 HD21 LEU 25 35.805 8.088 7.333 188 HD22 LEU 25 HD22 LEU 25 37.405 8.777 6.962 189 HD23 LEU 25 HD23 LEU 25 36.705 7.537 5.898 Start of MODEL 52 1 H1 GLY 1 HT1 GLY 1 48.671 12.013 -13.665 2 H2 GLY 1 HT2 GLY 1 49.120 12.622 -12.143 3 H3 GLY 1 HT3 GLY 1 47.497 12.228 -12.462 4 HA2 GLY 1 HA1 GLY 1 47.873 9.988 -12.444 5 HA3 GLY 1 HA2 GLY 1 49.620 10.222 -12.653 6 H TRP 2 HN TRP 2 50.915 10.816 -10.898 7 HA TRP 2 HA TRP 2 50.265 9.657 -8.420 8 HB2 TRP 2 HB2 TRP 2 52.147 11.988 -8.961 9 HB3 TRP 2 HB1 TRP 2 52.150 10.969 -7.502 10 HD1 TRP 2 HD1 TRP 2 52.714 8.328 -7.883 11 HE1 TRP 2 HE1 TRP 2 54.256 7.156 -9.618 12 HE3 TRP 2 HE3 TRP 2 53.062 12.098 -11.327 13 HZ2 TRP 2 HZ2 TRP 2 55.461 7.799 -12.154 14 HZ3 TRP 2 HZ3 TRP 2 54.412 11.797 -13.398 15 HH2 TRP 2 HH2 TRP 2 55.611 9.653 -13.814 16 H GLY 3 HN GLY 3 49.779 12.992 -9.568 17 HA2 GLY 3 HA1 GLY 3 48.285 14.588 -8.777 18 HA3 GLY 3 HA2 GLY 3 47.660 13.400 -7.616 19 H SER 4 HN SER 4 50.843 13.217 -7.097 20 HA SER 4 HA SER 4 50.712 14.731 -4.637 21 HB2 SER 4 HB2 SER 4 52.864 13.887 -4.215 22 HB3 SER 4 HB1 SER 4 52.170 12.651 -5.288 23 HG SER 4 HG SER 4 53.620 13.157 -6.718 24 H ILE 5 HN ILE 5 50.748 16.867 -4.488 25 HA ILE 5 HA ILE 5 51.955 18.492 -6.643 26 HB ILE 5 HB ILE 5 50.758 19.486 -4.025 27 HG12 ILE 5 HG12 ILE 5 49.369 18.771 -6.649 28 HG13 ILE 5 HG11 ILE 5 49.146 17.955 -5.084 29 HG21 ILE 5 HG21 ILE 5 52.081 21.024 -5.610 30 HG22 ILE 5 HG22 ILE 5 50.424 21.534 -5.222 31 HG23 ILE 5 HG23 ILE 5 50.774 20.765 -6.788 32 HD11 ILE 5 HD1 ILE 5 48.299 20.755 -5.895 33 HD12 ILE 5 HD2 ILE 5 48.469 20.304 -4.180 34 HD13 ILE 5 HD3 ILE 5 47.306 19.445 -5.217 35 H PHE 6 HN PHE 6 52.694 17.426 -3.362 36 HA PHE 6 HA PHE 6 55.176 19.151 -3.386 37 HB2 PHE 6 HB2 PHE 6 53.413 18.055 -1.169 38 HB3 PHE 6 HB1 PHE 6 55.115 18.463 -0.841 39 HD1 PHE 6 HD1 PHE 6 55.874 20.762 -0.786 40 HD2 PHE 6 HD2 PHE 6 51.823 19.828 -1.939 41 HE1 PHE 6 HE1 PHE 6 55.265 23.170 -0.599 42 HE2 PHE 6 HE2 PHE 6 51.213 22.235 -1.754 43 HZ PHE 6 HZ PHE 6 52.935 23.907 -1.083 44 H LYS 7 HN LYS 7 54.171 16.179 -4.253 45 HA LYS 7 HA LYS 7 55.212 14.120 -4.453 46 HB2 LYS 7 HB2 LYS 7 56.887 15.511 -5.618 47 HB3 LYS 7 HB1 LYS 7 57.718 15.802 -4.071 48 HG2 LYS 7 HG2 LYS 7 58.310 13.486 -3.839 49 HG3 LYS 7 HG1 LYS 7 57.209 13.001 -5.150 50 HD2 LYS 7 HD2 LYS 7 59.600 13.046 -5.881 51 HD3 LYS 7 HD1 LYS 7 58.585 14.182 -6.800 52 HE2 LYS 7 HE2 LYS 7 60.879 15.045 -5.919 53 HE3 LYS 7 HE1 LYS 7 59.450 16.071 -5.655 54 HZ1 LYS 7 HZ1 LYS 7 61.125 15.379 -3.716 55 HZ2 LYS 7 HZ2 LYS 7 60.028 14.088 -3.594 56 HZ3 LYS 7 HZ3 LYS 7 59.479 15.689 -3.444 57 H HIS 8 HN HIS 8 54.648 12.857 -2.806 58 HA HIS 8 HA HIS 8 54.896 11.642 -0.861 59 HB2 HIS 8 HB2 HIS 8 57.661 12.834 -0.494 60 HB3 HIS 8 HB1 HIS 8 57.063 11.231 -0.003 61 HD1 HIS 8 HD1 HIS 8 59.580 11.682 -1.897 62 HD2 HIS 8 HD2 HIS 8 55.670 10.858 -3.208 63 HE1 HIS 8 HE1 HIS 8 59.761 10.633 -4.220 64 H GLY 9 HN GLY 9 54.854 14.938 -1.017 65 HA2 GLY 9 HA1 GLY 9 55.103 15.456 1.887 66 HA3 GLY 9 HA2 GLY 9 54.722 16.634 0.614 67 H ARG 10 HN ARG 10 52.850 14.007 -0.000 68 HA ARG 10 HA ARG 10 50.760 14.290 1.969 69 HB2 ARG 10 HB2 ARG 10 49.085 15.427 0.556 70 HB3 ARG 10 HB1 ARG 10 50.478 16.489 0.872 71 HG2 ARG 10 HG2 ARG 10 51.445 15.584 -1.364 72 HG3 ARG 10 HG1 ARG 10 49.805 14.964 -1.673 73 HD2 ARG 10 HD2 ARG 10 50.704 17.842 -1.329 74 HD3 ARG 10 HD1 ARG 10 49.831 17.109 -2.696 75 HE ARG 10 HE ARG 10 48.206 16.828 -0.375 76 HH11 ARG 10 HH11 ARG 10 46.228 17.920 -1.187 77 HH12 ARG 10 HH12 ARG 10 46.384 19.620 -1.481 78 HH21 ARG 10 HH21 ARG 10 49.846 19.606 -1.285 79 HH22 ARG 10 HH22 ARG 10 48.432 20.574 -1.536 80 H HIS 11 HN HIS 11 52.344 12.865 -0.553 81 HA HIS 11 HA HIS 11 50.033 11.074 -1.260 82 HB2 HIS 11 HB2 HIS 11 51.242 12.115 -3.171 83 HB3 HIS 11 HB1 HIS 11 52.758 11.385 -2.588 84 HD1 HIS 11 HD1 HIS 11 53.307 9.374 -3.946 85 HD2 HIS 11 HD2 HIS 11 49.183 9.676 -3.186 86 HE1 HIS 11 HE1 HIS 11 52.185 7.343 -5.014 87 H ALA 12 HN ALA 12 50.112 9.004 -1.168 88 HA ALA 12 HA ALA 12 50.572 6.917 -0.371 89 HB1 ALA 12 HB1 ALA 12 52.920 7.585 -1.056 90 HB2 ALA 12 HB2 ALA 12 52.767 6.365 0.234 91 HB3 ALA 12 HB3 ALA 12 53.054 8.062 0.627 92 H ALA 13 HN ALA 13 51.514 9.783 1.457 93 HA ALA 13 HA ALA 13 51.005 8.545 4.063 94 HB1 ALA 13 HB1 ALA 13 51.997 10.770 4.184 95 HB2 ALA 13 HB2 ALA 13 50.273 11.009 4.562 96 HB3 ALA 13 HB3 ALA 13 50.892 11.398 2.939 97 H LYS 14 HN LYS 14 50.127 8.663 1.008 98 HA LYS 14 HA LYS 14 47.043 8.604 1.533 99 HB2 LYS 14 HB2 LYS 14 48.257 10.260 -0.093 100 HB3 LYS 14 HB1 LYS 14 48.638 8.777 -1.047 101 HG2 LYS 14 HG2 LYS 14 46.459 8.632 -1.855 102 HG3 LYS 14 HG1 LYS 14 45.722 9.110 -0.310 103 HD2 LYS 14 HD2 LYS 14 46.306 11.481 -0.778 104 HD3 LYS 14 HD1 LYS 14 47.027 10.990 -2.330 105 HE2 LYS 14 HE2 LYS 14 44.112 10.694 -1.490 106 HE3 LYS 14 HE1 LYS 14 44.758 11.770 -2.753 107 HZ1 LYS 14 HZ1 LYS 14 45.713 9.344 -3.477 108 HZ2 LYS 14 HZ2 LYS 14 44.316 10.072 -4.113 109 HZ3 LYS 14 HZ3 LYS 14 44.188 8.941 -2.852 110 H HIS 15 HN HIS 15 46.233 7.393 -0.666 111 HA HIS 15 HA HIS 15 45.669 5.201 -1.264 112 HB2 HIS 15 HB2 HIS 15 47.318 6.082 -2.936 113 HB3 HIS 15 HB1 HIS 15 48.610 5.256 -2.032 114 HD1 HIS 15 HD1 HIS 15 45.301 4.464 -3.814 115 HD2 HIS 15 HD2 HIS 15 48.931 2.610 -2.779 116 HE1 HIS 15 HE1 HIS 15 45.273 2.117 -4.823 117 H ILE 16 HN ILE 16 46.977 5.533 1.494 118 HA ILE 16 HA ILE 16 46.789 3.007 2.364 119 HB ILE 16 HB ILE 16 48.642 2.134 1.147 120 HG12 ILE 16 HG12 ILE 16 50.042 2.803 3.757 121 HG13 ILE 16 HG11 ILE 16 48.573 1.805 3.788 122 HG21 ILE 16 HG21 ILE 16 49.715 4.192 0.362 123 HG22 ILE 16 HG22 ILE 16 50.927 3.316 1.317 124 HG23 ILE 16 HG23 ILE 16 50.065 4.678 2.031 125 HD11 ILE 16 HD1 ILE 16 50.509 0.335 3.676 126 HD12 ILE 16 HD2 ILE 16 51.147 1.201 2.262 127 HD13 ILE 16 HD3 ILE 16 49.650 0.251 2.122 128 H GLY 17 HN GLY 17 48.587 5.781 2.557 129 HA2 GLY 17 HA1 GLY 17 48.609 5.767 5.502 130 HA3 GLY 17 HA2 GLY 17 49.120 7.102 4.450 131 H HIS 18 HN HIS 18 46.545 6.278 2.838 132 HA HIS 18 HA HIS 18 44.736 8.127 4.402 133 HB2 HIS 18 HB2 HIS 18 45.050 7.349 1.519 134 HB3 HIS 18 HB1 HIS 18 43.380 7.622 2.059 135 HD1 HIS 18 HD1 HIS 18 46.224 9.552 3.635 136 HD2 HIS 18 HD2 HIS 18 43.280 10.137 0.689 137 HE1 HIS 18 HE1 HIS 18 46.160 12.051 3.108 138 H ALA 19 HN ALA 19 44.810 4.833 2.900 139 HA ALA 19 HA ALA 19 43.413 3.513 4.920 140 HB1 ALA 19 HB1 ALA 19 41.408 4.709 4.869 141 HB2 ALA 19 HB2 ALA 19 41.038 3.448 3.675 142 HB3 ALA 19 HB3 ALA 19 41.545 5.065 3.130 143 H ALA 20 HN ALA 20 45.045 3.572 2.201 144 HA ALA 20 HA ALA 20 45.560 1.995 0.577 145 HB1 ALA 20 HB1 ALA 20 45.376 -0.310 1.154 146 HB2 ALA 20 HB2 ALA 20 44.007 -0.002 2.250 147 HB3 ALA 20 HB3 ALA 20 45.640 0.556 2.685 148 H VAL 21 HN VAL 21 42.718 3.287 1.044 149 HA VAL 21 HA VAL 21 41.544 2.117 -1.425 150 HB VAL 21 HB VAL 21 39.976 2.379 1.186 151 HG11 VAL 21 HG11 VAL 21 38.236 1.118 -0.294 152 HG12 VAL 21 HG12 VAL 21 39.227 1.647 -1.673 153 HG13 VAL 21 HG13 VAL 21 38.474 2.850 -0.601 154 HG21 VAL 21 HG21 VAL 21 40.987 -0.052 -0.361 155 HG22 VAL 21 HG22 VAL 21 39.765 -0.144 0.930 156 HG23 VAL 21 HG23 VAL 21 41.408 0.418 1.303 157 H ASN 22 HN ASN 22 42.362 4.602 0.672 158 HA ASN 22 HA ASN 22 42.386 6.900 0.014 159 HB2 ASN 22 HB2 ASN 22 41.138 6.313 -2.172 160 HB3 ASN 22 HB1 ASN 22 39.638 6.595 -1.251 161 HD21 ASN 22 HD21 ASN 22 41.564 8.145 -3.404 162 HD22 ASN 22 HD22 ASN 22 41.422 9.801 -2.806 163 H HIS 23 HN HIS 23 39.525 5.142 1.095 164 HA HIS 23 HA HIS 23 39.393 6.805 3.510 165 HB2 HIS 23 HB2 HIS 23 37.205 6.948 1.397 166 HB3 HIS 23 HB1 HIS 23 36.951 7.406 3.098 167 HD1 HIS 23 HD1 HIS 23 37.765 8.885 -0.054 168 HD2 HIS 23 HD2 HIS 23 39.135 9.431 3.884 169 HE1 HIS 23 HE1 HIS 23 38.924 11.160 0.042 170 H TYR 24 HN TYR 24 39.312 5.199 4.948 171 HA TYR 24 HA TYR 24 37.991 2.667 4.356 172 HB2 TYR 24 HB2 TYR 24 39.968 2.869 5.862 173 HB3 TYR 24 HB1 TYR 24 38.966 3.775 7.021 174 HD1 TYR 24 HD1 TYR 24 39.137 0.521 5.139 175 HD2 TYR 24 HD2 TYR 24 37.628 2.607 8.605 176 HE1 TYR 24 HE1 TYR 24 38.288 -1.630 6.065 177 HE2 TYR 24 HE2 TYR 24 36.780 0.454 9.531 178 HH TYR 24 HH TYR 24 36.329 -2.256 7.804 179 H LEU 25 HN LEU 25 36.597 5.504 4.625 180 HA LEU 25 HA LEU 25 34.107 4.380 5.707 181 HB2 LEU 25 HB2 LEU 25 35.424 5.199 7.740 182 HB3 LEU 25 HB1 LEU 25 35.295 6.833 7.056 183 HG LEU 25 HG LEU 25 32.695 6.298 6.936 184 HD11 LEU 25 HD11 LEU 25 33.686 4.311 9.036 185 HD12 LEU 25 HD12 LEU 25 32.768 3.938 7.557 186 HD13 LEU 25 HD13 LEU 25 31.997 4.843 8.877 187 HD21 LEU 25 HD21 LEU 25 34.115 6.790 9.593 188 HD22 LEU 25 HD22 LEU 25 32.415 7.176 9.235 189 HD23 LEU 25 HD23 LEU 25 33.721 8.030 8.377 Start of MODEL 53 1 H1 GLY 1 HT1 GLY 1 63.034 16.263 8.053 2 H2 GLY 1 HT2 GLY 1 62.068 17.656 8.164 3 H3 GLY 1 HT3 GLY 1 63.185 17.292 9.392 4 HA2 GLY 1 HA1 GLY 1 64.708 18.444 8.400 5 HA3 GLY 1 HA2 GLY 1 64.577 17.346 7.012 6 H TRP 2 HN TRP 2 62.032 17.850 6.092 7 HA TRP 2 HA TRP 2 61.518 20.693 5.840 8 HB2 TRP 2 HB2 TRP 2 63.607 20.479 4.459 9 HB3 TRP 2 HB1 TRP 2 62.742 19.331 3.409 10 HD1 TRP 2 HD1 TRP 2 61.165 20.300 1.622 11 HE1 TRP 2 HE1 TRP 2 60.406 22.684 0.909 12 HE3 TRP 2 HE3 TRP 2 63.100 22.967 5.540 13 HZ2 TRP 2 HZ2 TRP 2 60.629 25.368 1.929 14 HZ3 TRP 2 HZ3 TRP 2 62.816 25.438 5.650 15 HH2 TRP 2 HH2 TRP 2 61.583 26.640 3.849 16 H GLY 3 HN GLY 3 60.613 17.583 5.841 17 HA2 GLY 3 HA1 GLY 3 58.646 16.515 5.264 18 HA3 GLY 3 HA2 GLY 3 57.957 18.120 4.949 19 H SER 4 HN SER 4 60.798 17.546 3.170 20 HA SER 4 HA SER 4 61.140 17.242 0.898 21 HB2 SER 4 HB2 SER 4 60.387 14.922 1.553 22 HB3 SER 4 HB1 SER 4 58.745 15.373 1.044 23 HG SER 4 HG SER 4 59.420 14.842 -0.875 24 H ILE 5 HN ILE 5 59.835 17.095 -1.333 25 HA ILE 5 HA ILE 5 58.323 19.604 -1.431 26 HB ILE 5 HB ILE 5 58.118 18.981 -3.914 27 HG12 ILE 5 HG12 ILE 5 60.090 16.789 -3.110 28 HG13 ILE 5 HG11 ILE 5 58.369 16.481 -3.424 29 HG21 ILE 5 HG21 ILE 5 60.946 18.969 -2.761 30 HG22 ILE 5 HG22 ILE 5 59.938 20.428 -2.922 31 HG23 ILE 5 HG23 ILE 5 60.449 19.537 -4.373 32 HD11 ILE 5 HD1 ILE 5 58.786 17.660 -5.718 33 HD12 ILE 5 HD2 ILE 5 59.420 16.014 -5.497 34 HD13 ILE 5 HD3 ILE 5 60.512 17.409 -5.365 35 H PHE 6 HN PHE 6 56.800 18.350 0.214 36 HA PHE 6 HA PHE 6 54.612 17.700 0.565 37 HB2 PHE 6 HB2 PHE 6 54.071 17.833 -2.419 38 HB3 PHE 6 HB1 PHE 6 52.963 18.150 -1.064 39 HD1 PHE 6 HD1 PHE 6 55.058 19.696 -3.498 40 HD2 PHE 6 HD2 PHE 6 53.746 20.080 0.598 41 HE1 PHE 6 HE1 PHE 6 55.658 22.113 -3.531 42 HE2 PHE 6 HE2 PHE 6 54.350 22.497 0.563 43 HZ PHE 6 HZ PHE 6 55.284 23.518 -1.508 44 H LYS 7 HN LYS 7 56.812 15.996 -1.326 45 HA LYS 7 HA LYS 7 55.490 13.805 -2.392 46 HB2 LYS 7 HB2 LYS 7 57.970 14.166 -2.366 47 HB3 LYS 7 HB1 LYS 7 57.993 13.630 -0.668 48 HG2 LYS 7 HG2 LYS 7 57.096 11.445 -1.294 49 HG3 LYS 7 HG1 LYS 7 56.902 11.972 -2.984 50 HD2 LYS 7 HD2 LYS 7 59.328 12.258 -3.211 51 HD3 LYS 7 HD1 LYS 7 59.562 11.836 -1.497 52 HE2 LYS 7 HE2 LYS 7 58.251 9.983 -3.530 53 HE3 LYS 7 HE1 LYS 7 59.979 9.921 -3.105 54 HZ1 LYS 7 HZ1 LYS 7 57.684 9.005 -1.621 55 HZ2 LYS 7 HZ2 LYS 7 58.744 9.953 -0.691 56 HZ3 LYS 7 HZ3 LYS 7 59.316 8.561 -1.481 57 H HIS 8 HN HIS 8 56.406 14.255 1.047 58 HA HIS 8 HA HIS 8 55.000 11.771 1.813 59 HB2 HIS 8 HB2 HIS 8 56.280 13.950 3.514 60 HB3 HIS 8 HB1 HIS 8 55.727 12.357 4.085 61 HD1 HIS 8 HD1 HIS 8 56.764 10.486 1.917 62 HD2 HIS 8 HD2 HIS 8 59.030 13.707 3.390 63 HE1 HIS 8 HE1 HIS 8 59.223 9.946 1.485 64 H GLY 9 HN GLY 9 53.012 12.915 0.673 65 HA2 GLY 9 HA1 GLY 9 51.066 13.349 2.648 66 HA3 GLY 9 HA2 GLY 9 51.652 14.958 2.189 67 H ARG 10 HN ARG 10 52.244 13.879 -0.592 68 HA ARG 10 HA ARG 10 49.649 14.595 -1.715 69 HB2 ARG 10 HB2 ARG 10 52.243 13.627 -2.967 70 HB3 ARG 10 HB1 ARG 10 50.821 14.141 -3.902 71 HG2 ARG 10 HG2 ARG 10 51.923 16.004 -1.771 72 HG3 ARG 10 HG1 ARG 10 52.772 15.884 -3.327 73 HD2 ARG 10 HD2 ARG 10 49.822 16.581 -2.960 74 HD3 ARG 10 HD1 ARG 10 51.126 17.721 -3.363 75 HE ARG 10 HE ARG 10 50.968 15.505 -5.252 76 HH11 ARG 10 HH11 ARG 10 48.492 15.992 -6.097 77 HH12 ARG 10 HH12 ARG 10 48.463 17.527 -6.900 78 HH21 ARG 10 HH21 ARG 10 51.456 18.604 -5.518 79 HH22 ARG 10 HH22 ARG 10 50.142 19.006 -6.573 80 H HIS 11 HN HIS 11 50.913 12.319 -3.745 81 HA HIS 11 HA HIS 11 48.752 10.397 -3.075 82 HB2 HIS 11 HB2 HIS 11 50.659 10.366 -5.444 83 HB3 HIS 11 HB1 HIS 11 49.125 9.478 -5.272 84 HD1 HIS 11 HD1 HIS 11 47.242 11.651 -4.243 85 HD2 HIS 11 HD2 HIS 11 50.066 12.350 -7.278 86 HE1 HIS 11 HE1 HIS 11 46.415 13.646 -5.607 87 H ALA 12 HN ALA 12 48.978 8.370 -2.686 88 HA ALA 12 HA ALA 12 49.862 6.420 -1.890 89 HB1 ALA 12 HB1 ALA 12 52.120 5.927 -2.309 90 HB2 ALA 12 HB2 ALA 12 52.459 7.658 -2.342 91 HB3 ALA 12 HB3 ALA 12 51.581 6.918 -3.682 92 H ALA 13 HN ALA 13 51.404 9.514 -1.160 93 HA ALA 13 HA ALA 13 52.218 8.714 1.534 94 HB1 ALA 13 HB1 ALA 13 51.331 11.386 0.294 95 HB2 ALA 13 HB2 ALA 13 53.004 10.918 0.683 96 HB3 ALA 13 HB3 ALA 13 51.830 11.196 1.992 97 H LYS 14 HN LYS 14 50.022 8.409 -0.753 98 HA LYS 14 HA LYS 14 47.531 8.502 1.147 99 HB2 LYS 14 HB2 LYS 14 47.769 9.825 -1.104 100 HB3 LYS 14 HB1 LYS 14 47.738 8.193 -1.870 101 HG2 LYS 14 HG2 LYS 14 45.444 7.983 -1.534 102 HG3 LYS 14 HG1 LYS 14 45.486 8.738 0.074 103 HD2 LYS 14 HD2 LYS 14 45.520 10.960 -0.895 104 HD3 LYS 14 HD1 LYS 14 45.747 10.298 -2.532 105 HE2 LYS 14 HE2 LYS 14 43.540 9.236 -2.450 106 HE3 LYS 14 HE1 LYS 14 43.316 9.770 -0.766 107 HZ1 LYS 14 HZ1 LYS 14 42.605 11.153 -3.025 108 HZ2 LYS 14 HZ2 LYS 14 44.015 11.937 -2.493 109 HZ3 LYS 14 HZ3 LYS 14 42.685 11.773 -1.448 110 H HIS 15 HN HIS 15 45.859 6.972 -0.189 111 HA HIS 15 HA HIS 15 45.187 4.732 -0.089 112 HB2 HIS 15 HB2 HIS 15 47.412 4.583 -2.155 113 HB3 HIS 15 HB1 HIS 15 45.979 3.531 -2.046 114 HD1 HIS 15 HD1 HIS 15 47.153 6.344 -3.889 115 HD2 HIS 15 HD2 HIS 15 43.503 5.463 -1.996 116 HE1 HIS 15 HE1 HIS 15 45.364 7.825 -4.956 117 H ILE 16 HN ILE 16 47.631 5.464 1.626 118 HA ILE 16 HA ILE 16 47.986 3.116 2.867 119 HB ILE 16 HB ILE 16 49.099 1.996 1.087 120 HG12 ILE 16 HG12 ILE 16 51.510 3.068 2.595 121 HG13 ILE 16 HG11 ILE 16 50.293 2.105 3.456 122 HG21 ILE 16 HG21 ILE 16 49.560 3.871 -0.428 123 HG22 ILE 16 HG22 ILE 16 51.120 3.116 -0.047 124 HG23 ILE 16 HG23 ILE 16 50.643 4.605 0.769 125 HD11 ILE 16 HD1 ILE 16 51.946 1.238 1.043 126 HD12 ILE 16 HD2 ILE 16 50.585 0.298 1.697 127 HD13 ILE 16 HD3 ILE 16 52.025 0.595 2.696 128 H GLY 17 HN GLY 17 49.563 5.807 1.753 129 HA2 GLY 17 HA1 GLY 17 50.936 6.274 4.312 130 HA3 GLY 17 HA2 GLY 17 50.846 7.400 2.944 131 H HIS 18 HN HIS 18 47.844 6.428 2.869 132 HA HIS 18 HA HIS 18 46.898 8.590 4.749 133 HB2 HIS 18 HB2 HIS 18 45.861 7.271 2.266 134 HB3 HIS 18 HB1 HIS 18 44.624 7.637 3.485 135 HD1 HIS 18 HD1 HIS 18 47.653 9.868 3.210 136 HD2 HIS 18 HD2 HIS 18 43.671 9.809 1.854 137 HE1 HIS 18 HE1 HIS 18 47.106 12.211 2.348 138 H ALA 19 HN ALA 19 46.490 5.079 4.039 139 HA ALA 19 HA ALA 19 46.357 4.155 6.640 140 HB1 ALA 19 HB1 ALA 19 43.761 5.475 5.868 141 HB2 ALA 19 HB2 ALA 19 44.550 5.377 7.461 142 HB3 ALA 19 HB3 ALA 19 43.679 3.970 6.815 143 H ALA 20 HN ALA 20 46.355 3.745 3.500 144 HA ALA 20 HA ALA 20 46.079 1.919 2.095 145 HB1 ALA 20 HB1 ALA 20 46.340 -0.258 3.016 146 HB2 ALA 20 HB2 ALA 20 45.674 0.240 4.589 147 HB3 ALA 20 HB3 ALA 20 47.274 0.824 4.073 148 H VAL 21 HN VAL 21 43.781 3.335 3.755 149 HA VAL 21 HA VAL 21 41.596 1.810 2.415 150 HB VAL 21 HB VAL 21 41.532 2.591 5.368 151 HG11 VAL 21 HG11 VAL 21 39.313 2.794 4.540 152 HG12 VAL 21 HG12 VAL 21 39.361 1.148 5.200 153 HG13 VAL 21 HG13 VAL 21 39.494 1.405 3.444 154 HG21 VAL 21 HG21 VAL 21 42.945 0.621 5.050 155 HG22 VAL 21 HG22 VAL 21 41.729 -0.126 3.987 156 HG23 VAL 21 HG23 VAL 21 41.386 0.092 5.719 157 H ASN 22 HN ASN 22 43.219 4.587 3.349 158 HA ASN 22 HA ASN 22 42.765 6.722 2.358 159 HB2 ASN 22 HB2 ASN 22 40.585 5.853 1.306 160 HB3 ASN 22 HB1 ASN 22 39.787 6.322 2.831 161 HD21 ASN 22 HD21 ASN 22 38.934 8.390 2.798 162 HD22 ASN 22 HD22 ASN 22 39.572 9.721 1.827 163 H HIS 23 HN HIS 23 41.009 5.331 5.096 164 HA HIS 23 HA HIS 23 42.206 7.172 6.955 165 HB2 HIS 23 HB2 HIS 23 40.553 8.735 5.871 166 HB3 HIS 23 HB1 HIS 23 39.247 7.660 6.422 167 HD1 HIS 23 HD1 HIS 23 39.682 7.015 9.212 168 HD2 HIS 23 HD2 HIS 23 40.972 10.728 7.719 169 HE1 HIS 23 HE1 HIS 23 39.895 8.603 11.202 170 H TYR 24 HN TYR 24 42.612 5.544 8.317 171 HA TYR 24 HA TYR 24 40.464 4.559 9.969 172 HB2 TYR 24 HB2 TYR 24 40.047 3.127 7.982 173 HB3 TYR 24 HB1 TYR 24 41.723 2.534 8.072 174 HD1 TYR 24 HD1 TYR 24 42.334 0.803 9.615 175 HD2 TYR 24 HD2 TYR 24 38.495 2.745 9.965 176 HE1 TYR 24 HE1 TYR 24 41.633 -0.887 11.305 177 HE2 TYR 24 HE2 TYR 24 37.795 1.056 11.656 178 HH TYR 24 HH TYR 24 39.124 -0.349 13.397 179 H LEU 25 HN LEU 25 43.653 5.108 9.088 180 HA LEU 25 HA LEU 25 44.641 3.876 11.660 181 HB2 LEU 25 HB2 LEU 25 46.183 3.989 9.036 182 HB3 LEU 25 HB1 LEU 25 46.727 3.264 10.564 183 HG LEU 25 HG LEU 25 44.241 2.332 9.058 184 HD11 LEU 25 HD11 LEU 25 46.244 2.014 7.650 185 HD12 LEU 25 HD12 LEU 25 45.655 0.450 8.262 186 HD13 LEU 25 HD13 LEU 25 47.080 1.216 9.002 187 HD21 LEU 25 HD21 LEU 25 45.878 1.255 11.397 188 HD22 LEU 25 HD22 LEU 25 44.779 0.219 10.458 189 HD23 LEU 25 HD23 LEU 25 44.137 1.616 11.346 Start of MODEL 54 1 H1 GLY 1 HT1 GLY 1 71.098 19.019 -3.939 2 H2 GLY 1 HT2 GLY 1 70.760 17.419 -4.400 3 H3 GLY 1 HT3 GLY 1 70.534 17.910 -2.789 4 HA2 GLY 1 HA1 GLY 1 68.807 19.404 -3.440 5 HA3 GLY 1 HA2 GLY 1 69.054 18.916 -5.128 6 H TRP 2 HN TRP 2 66.877 18.643 -2.867 7 HA TRP 2 HA TRP 2 66.524 15.778 -2.584 8 HB2 TRP 2 HB2 TRP 2 64.147 16.514 -1.919 9 HB3 TRP 2 HB1 TRP 2 65.489 17.156 -0.941 10 HD1 TRP 2 HD1 TRP 2 63.002 18.187 -3.676 11 HE1 TRP 2 HE1 TRP 2 62.843 20.781 -3.766 12 HE3 TRP 2 HE3 TRP 2 66.743 19.339 -0.377 13 HZ2 TRP 2 HZ2 TRP 2 64.177 23.027 -2.552 14 HZ3 TRP 2 HZ3 TRP 2 67.283 21.714 0.142 15 HH2 TRP 2 HH2 TRP 2 66.005 23.557 -0.942 16 H GLY 3 HN GLY 3 65.583 14.328 -3.880 17 HA2 GLY 3 HA1 GLY 3 64.803 15.166 -6.573 18 HA3 GLY 3 HA2 GLY 3 64.828 13.513 -5.930 19 H SER 4 HN SER 4 63.192 15.362 -3.717 20 HA SER 4 HA SER 4 60.601 15.508 -5.065 21 HB2 SER 4 HB2 SER 4 61.135 13.280 -3.064 22 HB3 SER 4 HB1 SER 4 59.511 13.819 -3.544 23 HG SER 4 HG SER 4 59.792 12.947 -5.473 24 H ILE 5 HN ILE 5 58.874 16.216 -3.591 25 HA ILE 5 HA ILE 5 59.628 17.072 -0.893 26 HB ILE 5 HB ILE 5 60.719 18.854 -2.245 27 HG12 ILE 5 HG12 ILE 5 58.182 19.851 -0.862 28 HG13 ILE 5 HG11 ILE 5 59.642 19.313 -0.002 29 HG21 ILE 5 HG21 ILE 5 59.478 20.270 -3.728 30 HG22 ILE 5 HG22 ILE 5 57.921 19.593 -3.193 31 HG23 ILE 5 HG23 ILE 5 59.035 18.605 -4.167 32 HD11 ILE 5 HD1 ILE 5 59.849 21.685 -0.157 33 HD12 ILE 5 HD2 ILE 5 59.322 21.701 -1.855 34 HD13 ILE 5 HD3 ILE 5 60.922 21.050 -1.426 35 H PHE 6 HN PHE 6 57.406 17.415 -3.677 36 HA PHE 6 HA PHE 6 55.115 17.749 -1.769 37 HB2 PHE 6 HB2 PHE 6 53.822 18.389 -3.731 38 HB3 PHE 6 HB1 PHE 6 55.330 19.332 -3.684 39 HD1 PHE 6 HD1 PHE 6 53.580 16.476 -5.318 40 HD2 PHE 6 HD2 PHE 6 57.044 19.051 -5.375 41 HE1 PHE 6 HE1 PHE 6 54.174 15.628 -7.584 42 HE2 PHE 6 HE2 PHE 6 57.640 18.200 -7.640 43 HZ PHE 6 HZ PHE 6 56.138 16.577 -8.789 44 H LYS 7 HN LYS 7 56.712 15.421 -3.771 45 HA LYS 7 HA LYS 7 54.383 13.737 -4.249 46 HB2 LYS 7 HB2 LYS 7 57.369 13.148 -4.321 47 HB3 LYS 7 HB1 LYS 7 56.101 12.022 -4.859 48 HG2 LYS 7 HG2 LYS 7 55.294 13.780 -6.467 49 HG3 LYS 7 HG1 LYS 7 56.680 14.793 -5.993 50 HD2 LYS 7 HD2 LYS 7 58.190 12.842 -6.634 51 HD3 LYS 7 HD1 LYS 7 56.752 12.059 -7.334 52 HE2 LYS 7 HE2 LYS 7 56.401 14.052 -8.790 53 HE3 LYS 7 HE1 LYS 7 57.879 14.783 -8.120 54 HZ1 LYS 7 HZ1 LYS 7 57.667 12.963 -10.225 55 HZ2 LYS 7 HZ2 LYS 7 58.435 12.146 -8.948 56 HZ3 LYS 7 HZ3 LYS 7 59.080 13.603 -9.539 57 H HIS 8 HN HIS 8 57.282 13.304 -2.162 58 HA HIS 8 HA HIS 8 55.932 11.206 -0.619 59 HB2 HIS 8 HB2 HIS 8 58.408 11.263 -1.081 60 HB3 HIS 8 HB1 HIS 8 58.526 12.674 -0.001 61 HD1 HIS 8 HD1 HIS 8 56.351 9.560 0.508 62 HD2 HIS 8 HD2 HIS 8 59.720 11.422 2.200 63 HE1 HIS 8 HE1 HIS 8 56.887 8.333 2.684 64 H GLY 9 HN GLY 9 54.268 13.329 -0.500 65 HA2 GLY 9 HA1 GLY 9 54.208 13.861 2.370 66 HA3 GLY 9 HA2 GLY 9 54.552 15.309 1.402 67 H ARG 10 HN ARG 10 52.981 14.403 -0.892 68 HA ARG 10 HA ARG 10 50.220 14.840 0.252 69 HB2 ARG 10 HB2 ARG 10 51.360 15.603 -2.471 70 HB3 ARG 10 HB1 ARG 10 49.692 15.892 -1.919 71 HG2 ARG 10 HG2 ARG 10 50.648 17.212 0.021 72 HG3 ARG 10 HG1 ARG 10 52.250 17.060 -0.744 73 HD2 ARG 10 HD2 ARG 10 51.149 19.208 -1.347 74 HD3 ARG 10 HD1 ARG 10 51.403 18.178 -2.776 75 HE ARG 10 HE ARG 10 49.057 18.038 -3.000 76 HH11 ARG 10 HH11 ARG 10 48.922 20.646 -1.464 77 HH12 ARG 10 HH12 ARG 10 47.761 20.264 -0.238 78 HH21 ARG 10 HH21 ARG 10 47.996 16.838 -0.708 79 HH22 ARG 10 HH22 ARG 10 47.237 18.108 0.191 80 H HIS 11 HN HIS 11 52.228 12.535 -0.983 81 HA HIS 11 HA HIS 11 49.904 10.897 -1.894 82 HB2 HIS 11 HB2 HIS 11 52.487 11.261 -3.472 83 HB3 HIS 11 HB1 HIS 11 51.251 10.025 -3.809 84 HD1 HIS 11 HD1 HIS 11 48.946 10.813 -4.752 85 HD2 HIS 11 HD2 HIS 11 51.804 13.868 -4.323 86 HE1 HIS 11 HE1 HIS 11 48.061 12.865 -5.991 87 H ALA 12 HN ALA 12 50.014 8.856 -1.606 88 HA ALA 12 HA ALA 12 50.601 6.842 -0.687 89 HB1 ALA 12 HB1 ALA 12 53.129 8.105 0.005 90 HB2 ALA 12 HB2 ALA 12 52.863 7.487 -1.629 91 HB3 ALA 12 HB3 ALA 12 52.853 6.389 -0.226 92 H ALA 13 HN ALA 13 51.619 9.888 0.772 93 HA ALA 13 HA ALA 13 51.354 8.900 3.518 94 HB1 ALA 13 HB1 ALA 13 50.809 11.318 3.990 95 HB2 ALA 13 HB2 ALA 13 50.841 11.656 2.242 96 HB3 ALA 13 HB3 ALA 13 52.336 11.184 3.086 97 H LYS 14 HN LYS 14 50.223 8.692 0.555 98 HA LYS 14 HA LYS 14 47.194 8.647 1.339 99 HB2 LYS 14 HB2 LYS 14 48.227 10.143 -0.548 100 HB3 LYS 14 HB1 LYS 14 48.559 8.577 -1.376 101 HG2 LYS 14 HG2 LYS 14 46.327 8.321 -1.980 102 HG3 LYS 14 HG1 LYS 14 45.712 8.928 -0.428 103 HD2 LYS 14 HD2 LYS 14 46.203 11.257 -1.163 104 HD3 LYS 14 HD1 LYS 14 46.778 10.628 -2.726 105 HE2 LYS 14 HE2 LYS 14 43.969 10.321 -1.578 106 HE3 LYS 14 HE1 LYS 14 44.444 11.359 -2.943 107 HZ1 LYS 14 HZ1 LYS 14 45.275 9.261 -4.025 108 HZ2 LYS 14 HZ2 LYS 14 43.588 9.378 -3.860 109 HZ3 LYS 14 HZ3 LYS 14 44.482 8.390 -2.805 110 H HIS 15 HN HIS 15 46.235 7.199 -0.642 111 HA HIS 15 HA HIS 15 45.673 4.945 -0.955 112 HB2 HIS 15 HB2 HIS 15 47.138 5.676 -2.853 113 HB3 HIS 15 HB1 HIS 15 48.528 4.969 -1.996 114 HD1 HIS 15 HD1 HIS 15 48.848 2.451 -2.096 115 HD2 HIS 15 HD2 HIS 15 45.125 3.687 -3.613 116 HE1 HIS 15 HE1 HIS 15 47.763 0.418 -3.199 117 H ILE 16 HN ILE 16 47.245 5.578 1.621 118 HA ILE 16 HA ILE 16 47.193 3.140 2.744 119 HB ILE 16 HB ILE 16 48.956 2.187 1.456 120 HG12 ILE 16 HG12 ILE 16 50.547 3.167 3.851 121 HG13 ILE 16 HG11 ILE 16 49.139 2.113 4.102 122 HG21 ILE 16 HG21 ILE 16 49.876 4.181 0.371 123 HG22 ILE 16 HG22 ILE 16 51.203 3.429 1.278 124 HG23 ILE 16 HG23 ILE 16 50.376 4.837 1.941 125 HD11 ILE 16 HD1 ILE 16 50.177 0.471 2.461 126 HD12 ILE 16 HD2 ILE 16 51.092 0.697 3.967 127 HD13 ILE 16 HD3 ILE 16 51.639 1.483 2.471 128 H GLY 17 HN GLY 17 48.931 5.950 2.500 129 HA2 GLY 17 HA1 GLY 17 49.199 6.245 5.420 130 HA3 GLY 17 HA2 GLY 17 49.587 7.471 4.196 131 H HIS 18 HN HIS 18 46.926 6.440 2.894 132 HA HIS 18 HA HIS 18 45.191 8.431 4.341 133 HB2 HIS 18 HB2 HIS 18 45.324 7.247 1.600 134 HB3 HIS 18 HB1 HIS 18 43.673 7.421 2.225 135 HD1 HIS 18 HD1 HIS 18 43.210 9.330 0.480 136 HD2 HIS 18 HD2 HIS 18 46.309 10.182 3.188 137 HE1 HIS 18 HE1 HIS 18 43.669 11.839 0.346 138 H ALA 19 HN ALA 19 45.243 4.971 3.327 139 HA ALA 19 HA ALA 19 44.194 3.845 5.628 140 HB1 ALA 19 HB1 ALA 19 42.161 4.987 5.772 141 HB2 ALA 19 HB2 ALA 19 41.662 3.600 4.783 142 HB3 ALA 19 HB3 ALA 19 42.018 5.162 4.006 143 H ALA 20 HN ALA 20 45.420 3.668 2.733 144 HA ALA 20 HA ALA 20 45.762 1.963 1.196 145 HB1 ALA 20 HB1 ALA 20 46.163 0.721 3.391 146 HB2 ALA 20 HB2 ALA 20 45.716 -0.285 1.993 147 HB3 ALA 20 HB3 ALA 20 44.503 0.101 3.237 148 H VAL 21 HN VAL 21 42.961 3.244 1.923 149 HA VAL 21 HA VAL 21 41.492 1.744 -0.208 150 HB VAL 21 HB VAL 21 40.347 2.441 2.538 151 HG11 VAL 21 HG11 VAL 21 38.575 2.804 0.998 152 HG12 VAL 21 HG12 VAL 21 38.335 1.120 1.511 153 HG13 VAL 21 HG13 VAL 21 39.095 1.471 -0.060 154 HG21 VAL 21 HG21 VAL 21 40.885 -0.225 1.148 155 HG22 VAL 21 HG22 VAL 21 40.016 -0.040 2.691 156 HG23 VAL 21 HG23 VAL 21 41.733 0.412 2.578 157 H ASN 22 HN ASN 22 42.590 4.523 1.301 158 HA ASN 22 HA ASN 22 42.539 6.662 0.201 159 HB2 ASN 22 HB2 ASN 22 40.909 5.805 -1.584 160 HB3 ASN 22 HB1 ASN 22 39.599 6.228 -0.450 161 HD21 ASN 22 HD21 ASN 22 38.850 8.346 -0.542 162 HD22 ASN 22 HD22 ASN 22 39.739 9.680 -1.284 163 H HIS 23 HN HIS 23 39.921 5.251 2.110 164 HA HIS 23 HA HIS 23 40.308 7.291 4.170 165 HB2 HIS 23 HB2 HIS 23 38.874 8.571 2.654 166 HB3 HIS 23 HB1 HIS 23 37.698 7.237 2.598 167 HD1 HIS 23 HD1 HIS 23 36.204 6.826 4.685 168 HD2 HIS 23 HD2 HIS 23 38.916 10.007 5.143 169 HE1 HIS 23 HE1 HIS 23 35.496 8.139 6.761 170 H TYR 24 HN TYR 24 37.097 6.029 3.797 171 HA TYR 24 HA TYR 24 35.933 4.519 5.118 172 HB2 TYR 24 HB2 TYR 24 37.240 2.973 3.619 173 HB3 TYR 24 HB1 TYR 24 38.469 2.850 4.900 174 HD1 TYR 24 HD1 TYR 24 38.201 1.234 6.620 175 HD2 TYR 24 HD2 TYR 24 34.769 2.469 4.311 176 HE1 TYR 24 HE1 TYR 24 36.814 -0.497 7.754 177 HE2 TYR 24 HE2 TYR 24 33.383 0.738 5.446 178 HH TYR 24 HH TYR 24 34.492 -1.113 8.135 179 H LEU 25 HN LEU 25 38.130 6.411 6.318 180 HA LEU 25 HA LEU 25 38.958 6.868 8.433 181 HB2 LEU 25 HB2 LEU 25 36.444 6.735 8.837 182 HB3 LEU 25 HB1 LEU 25 36.705 5.073 9.405 183 HG LEU 25 HG LEU 25 38.485 6.123 11.021 184 HD11 LEU 25 HD11 LEU 25 36.910 8.589 10.149 185 HD12 LEU 25 HD12 LEU 25 38.675 8.369 10.169 186 HD13 LEU 25 HD13 LEU 25 37.781 8.500 11.695 187 HD21 LEU 25 HD21 LEU 25 36.318 5.163 11.747 188 HD22 LEU 25 HD22 LEU 25 35.513 6.711 11.395 189 HD23 LEU 25 HD23 LEU 25 36.725 6.614 12.694 Start of MODEL 55 1 H1 GLY 1 HT1 GLY 1 68.207 17.892 -7.023 2 H2 GLY 1 HT2 GLY 1 67.870 16.296 -7.503 3 H3 GLY 1 HT3 GLY 1 69.478 16.840 -7.410 4 HA2 GLY 1 HA1 GLY 1 68.930 15.437 -5.564 5 HA3 GLY 1 HA2 GLY 1 69.320 17.096 -5.066 6 H TRP 2 HN TRP 2 66.448 15.278 -6.245 7 HA TRP 2 HA TRP 2 64.994 15.918 -3.764 8 HB2 TRP 2 HB2 TRP 2 64.115 17.104 -6.431 9 HB3 TRP 2 HB1 TRP 2 63.147 17.098 -4.936 10 HD1 TRP 2 HD1 TRP 2 65.698 19.073 -6.744 11 HE1 TRP 2 HE1 TRP 2 66.638 20.992 -5.263 12 HE3 TRP 2 HE3 TRP 2 63.839 17.580 -2.214 13 HZ2 TRP 2 HZ2 TRP 2 66.575 21.748 -2.484 14 HZ3 TRP 2 HZ3 TRP 2 64.291 18.916 -0.161 15 HH2 TRP 2 HH2 TRP 2 65.656 20.996 -0.292 16 H GLY 3 HN GLY 3 63.818 15.392 -7.100 17 HA2 GLY 3 HA1 GLY 3 62.763 13.559 -8.044 18 HA3 GLY 3 HA2 GLY 3 63.503 12.544 -6.790 19 H SER 4 HN SER 4 61.524 15.322 -5.968 20 HA SER 4 HA SER 4 59.036 13.840 -5.744 21 HB2 SER 4 HB2 SER 4 58.915 13.818 -3.269 22 HB3 SER 4 HB1 SER 4 60.221 12.775 -3.875 23 HG SER 4 HG SER 4 60.855 14.175 -2.133 24 H ILE 5 HN ILE 5 58.644 15.839 -6.986 25 HA ILE 5 HA ILE 5 58.871 18.420 -5.725 26 HB ILE 5 HB ILE 5 56.825 17.672 -7.856 27 HG12 ILE 5 HG12 ILE 5 59.802 18.285 -8.160 28 HG13 ILE 5 HG11 ILE 5 58.997 16.745 -8.539 29 HG21 ILE 5 HG21 ILE 5 56.884 19.988 -6.713 30 HG22 ILE 5 HG22 ILE 5 56.978 19.973 -8.488 31 HG23 ILE 5 HG23 ILE 5 58.452 20.224 -7.520 32 HD11 ILE 5 HD1 ILE 5 58.737 19.413 -9.965 33 HD12 ILE 5 HD2 ILE 5 57.508 18.138 -10.155 34 HD13 ILE 5 HD3 ILE 5 59.192 17.833 -10.642 35 H PHE 6 HN PHE 6 56.441 15.869 -5.693 36 HA PHE 6 HA PHE 6 55.058 17.238 -3.459 37 HB2 PHE 6 HB2 PHE 6 53.689 16.620 -6.108 38 HB3 PHE 6 HB1 PHE 6 52.820 16.946 -4.590 39 HD1 PHE 6 HD1 PHE 6 54.281 18.451 -7.496 40 HD2 PHE 6 HD2 PHE 6 53.515 19.139 -3.302 41 HE1 PHE 6 HE1 PHE 6 54.516 20.904 -7.855 42 HE2 PHE 6 HE2 PHE 6 53.752 21.593 -3.663 43 HZ PHE 6 HZ PHE 6 54.183 22.479 -5.952 44 H LYS 7 HN LYS 7 56.121 14.523 -5.186 45 HA LYS 7 HA LYS 7 54.294 12.494 -4.514 46 HB2 LYS 7 HB2 LYS 7 57.335 12.320 -4.449 47 HB3 LYS 7 HB1 LYS 7 56.204 10.955 -4.615 48 HG2 LYS 7 HG2 LYS 7 55.337 11.931 -6.724 49 HG3 LYS 7 HG1 LYS 7 56.479 13.287 -6.564 50 HD2 LYS 7 HD2 LYS 7 58.377 11.682 -6.617 51 HD3 LYS 7 HD1 LYS 7 57.225 10.340 -6.821 52 HE2 LYS 7 HE2 LYS 7 56.369 11.490 -8.903 53 HE3 LYS 7 HE1 LYS 7 57.693 12.667 -8.732 54 HZ1 LYS 7 HZ1 LYS 7 58.065 9.720 -8.932 55 HZ2 LYS 7 HZ2 LYS 7 59.286 10.899 -8.906 56 HZ3 LYS 7 HZ3 LYS 7 58.227 10.798 -10.231 57 H HIS 8 HN HIS 8 57.353 12.884 -2.701 58 HA HIS 8 HA HIS 8 56.129 11.716 -0.314 59 HB2 HIS 8 HB2 HIS 8 58.510 11.345 -0.932 60 HB3 HIS 8 HB1 HIS 8 58.828 13.076 -0.674 61 HD1 HIS 8 HD1 HIS 8 56.325 11.781 1.684 62 HD2 HIS 8 HD2 HIS 8 60.514 12.101 1.556 63 HE1 HIS 8 HE1 HIS 8 57.189 11.403 4.058 64 H GLY 9 HN GLY 9 54.385 13.490 -0.412 65 HA2 GLY 9 HA1 GLY 9 54.985 15.358 1.735 66 HA3 GLY 9 HA2 GLY 9 54.814 16.172 0.169 67 H ARG 10 HN ARG 10 52.883 13.923 -0.632 68 HA ARG 10 HA ARG 10 50.594 14.303 1.153 69 HB2 ARG 10 HB2 ARG 10 49.183 15.458 -0.559 70 HB3 ARG 10 HB1 ARG 10 50.511 16.473 0.052 71 HG2 ARG 10 HG2 ARG 10 51.878 15.864 -1.934 72 HG3 ARG 10 HG1 ARG 10 50.527 14.884 -2.552 73 HD2 ARG 10 HD2 ARG 10 50.511 17.890 -2.050 74 HD3 ARG 10 HD1 ARG 10 50.474 17.077 -3.632 75 HE ARG 10 HE ARG 10 48.261 16.074 -2.237 76 HH11 ARG 10 HH11 ARG 10 49.481 19.031 -3.506 77 HH12 ARG 10 HH12 ARG 10 47.936 19.813 -3.537 78 HH21 ARG 10 HH21 ARG 10 46.250 17.124 -2.141 79 HH22 ARG 10 HH22 ARG 10 46.106 18.734 -2.765 80 H HIS 11 HN HIS 11 52.320 12.326 -0.524 81 HA HIS 11 HA HIS 11 49.961 10.731 -1.474 82 HB2 HIS 11 HB2 HIS 11 52.567 11.123 -3.008 83 HB3 HIS 11 HB1 HIS 11 51.278 9.974 -3.440 84 HD1 HIS 11 HD1 HIS 11 52.449 13.086 -4.533 85 HD2 HIS 11 HD2 HIS 11 48.626 11.691 -3.474 86 HE1 HIS 11 HE1 HIS 11 50.742 14.670 -5.586 87 H ALA 12 HN ALA 12 50.049 8.671 -1.346 88 HA ALA 12 HA ALA 12 50.588 6.589 -0.560 89 HB1 ALA 12 HB1 ALA 12 52.832 6.064 -0.137 90 HB2 ALA 12 HB2 ALA 12 53.138 7.766 0.205 91 HB3 ALA 12 HB3 ALA 12 52.859 7.250 -1.460 92 H ALA 13 HN ALA 13 51.657 9.499 1.118 93 HA ALA 13 HA ALA 13 51.377 8.316 3.782 94 HB1 ALA 13 HB1 ALA 13 50.832 11.171 2.769 95 HB2 ALA 13 HB2 ALA 13 52.399 10.635 3.422 96 HB3 ALA 13 HB3 ALA 13 50.963 10.673 4.472 97 H LYS 14 HN LYS 14 50.243 8.351 0.810 98 HA LYS 14 HA LYS 14 47.215 8.296 1.595 99 HB2 LYS 14 HB2 LYS 14 48.272 9.910 -0.175 100 HB3 LYS 14 HB1 LYS 14 48.579 8.407 -1.120 101 HG2 LYS 14 HG2 LYS 14 46.342 8.245 -1.744 102 HG3 LYS 14 HG1 LYS 14 45.736 8.724 -0.141 103 HD2 LYS 14 HD2 LYS 14 46.037 11.065 -0.635 104 HD3 LYS 14 HD1 LYS 14 46.953 10.699 -2.117 105 HE2 LYS 14 HE2 LYS 14 44.590 11.347 -2.605 106 HE3 LYS 14 HE1 LYS 14 44.958 9.689 -3.137 107 HZ1 LYS 14 HZ1 LYS 14 43.973 8.860 -1.085 108 HZ2 LYS 14 HZ2 LYS 14 42.851 9.792 -1.958 109 HZ3 LYS 14 HZ3 LYS 14 43.615 10.442 -0.586 110 H HIS 15 HN HIS 15 46.230 7.015 -0.498 111 HA HIS 15 HA HIS 15 45.637 4.801 -0.976 112 HB2 HIS 15 HB2 HIS 15 48.477 5.034 -2.034 113 HB3 HIS 15 HB1 HIS 15 47.292 3.807 -2.542 114 HD1 HIS 15 HD1 HIS 15 48.626 6.725 -3.866 115 HD2 HIS 15 HD2 HIS 15 44.661 5.515 -3.158 116 HE1 HIS 15 HE1 HIS 15 47.118 8.152 -5.353 117 H ILE 16 HN ILE 16 47.178 5.218 1.645 118 HA ILE 16 HA ILE 16 47.097 2.710 2.591 119 HB ILE 16 HB ILE 16 48.849 1.829 1.246 120 HG12 ILE 16 HG12 ILE 16 50.442 2.593 3.716 121 HG13 ILE 16 HG11 ILE 16 49.007 1.558 3.881 122 HG21 ILE 16 HG21 ILE 16 50.312 4.410 1.939 123 HG22 ILE 16 HG22 ILE 16 49.822 3.881 0.319 124 HG23 ILE 16 HG23 ILE 16 51.123 3.039 1.183 125 HD11 ILE 16 HD1 ILE 16 50.937 0.115 3.654 126 HD12 ILE 16 HD2 ILE 16 51.498 0.988 2.211 127 HD13 ILE 16 HD3 ILE 16 50.012 0.010 2.140 128 H GLY 17 HN GLY 17 48.864 5.511 2.557 129 HA2 GLY 17 HA1 GLY 17 49.116 5.585 5.493 130 HA3 GLY 17 HA2 GLY 17 49.546 6.886 4.365 131 H HIS 18 HN HIS 18 46.854 5.993 2.982 132 HA HIS 18 HA HIS 18 45.161 7.910 4.587 133 HB2 HIS 18 HB2 HIS 18 45.272 6.981 1.740 134 HB3 HIS 18 HB1 HIS 18 43.635 7.202 2.385 135 HD1 HIS 18 HD1 HIS 18 43.333 9.276 0.781 136 HD2 HIS 18 HD2 HIS 18 46.372 9.710 3.655 137 HE1 HIS 18 HE1 HIS 18 43.940 11.754 0.880 138 H ALA 19 HN ALA 19 45.167 4.544 3.276 139 HA ALA 19 HA ALA 19 43.977 3.307 5.468 140 HB1 ALA 19 HB1 ALA 19 41.924 4.721 3.761 141 HB2 ALA 19 HB2 ALA 19 41.951 4.479 5.526 142 HB3 ALA 19 HB3 ALA 19 41.506 3.135 4.455 143 H ALA 20 HN ALA 20 45.308 3.311 2.561 144 HA ALA 20 HA ALA 20 45.707 1.680 0.956 145 HB1 ALA 20 HB1 ALA 20 44.458 -0.303 2.886 146 HB2 ALA 20 HB2 ALA 20 46.100 0.346 3.106 147 HB3 ALA 20 HB3 ALA 20 45.705 -0.600 1.651 148 H VAL 21 HN VAL 21 42.922 2.907 1.694 149 HA VAL 21 HA VAL 21 41.465 1.561 -0.525 150 HB VAL 21 HB VAL 21 40.307 1.954 2.274 151 HG11 VAL 21 HG11 VAL 21 38.518 2.390 0.780 152 HG12 VAL 21 HG12 VAL 21 38.339 0.656 1.114 153 HG13 VAL 21 HG13 VAL 21 39.088 1.194 -0.408 154 HG21 VAL 21 HG21 VAL 21 41.013 -0.540 0.659 155 HG22 VAL 21 HG22 VAL 21 40.031 -0.570 2.144 156 HG23 VAL 21 HG23 VAL 21 41.720 -0.026 2.209 157 H ASN 22 HN ASN 22 42.521 4.184 1.259 158 HA ASN 22 HA ASN 22 42.400 6.445 0.523 159 HB2 ASN 22 HB2 ASN 22 39.571 5.980 -0.478 160 HB3 ASN 22 HB1 ASN 22 40.638 7.364 -0.789 161 HD21 ASN 22 HD21 ASN 22 43.016 6.377 -1.622 162 HD22 ASN 22 HD22 ASN 22 42.818 5.313 -3.017 163 H HIS 23 HN HIS 23 39.705 4.687 1.948 164 HA HIS 23 HA HIS 23 39.725 6.514 4.259 165 HB2 HIS 23 HB2 HIS 23 37.316 6.326 2.409 166 HB3 HIS 23 HB1 HIS 23 37.251 6.968 4.067 167 HD1 HIS 23 HD1 HIS 23 39.533 8.778 4.399 168 HD2 HIS 23 HD2 HIS 23 37.640 8.427 0.661 169 HE1 HIS 23 HE1 HIS 23 40.048 10.906 3.082 170 H TYR 24 HN TYR 24 39.953 4.995 5.773 171 HA TYR 24 HA TYR 24 38.949 2.328 5.580 172 HB2 TYR 24 HB2 TYR 24 40.768 3.039 7.113 173 HB3 TYR 24 HB1 TYR 24 39.583 3.947 8.081 174 HD1 TYR 24 HD1 TYR 24 40.679 0.560 7.007 175 HD2 TYR 24 HD2 TYR 24 37.992 2.809 9.528 176 HE1 TYR 24 HE1 TYR 24 40.101 -1.522 8.249 177 HE2 TYR 24 HE2 TYR 24 37.415 0.727 10.769 178 HH TYR 24 HH TYR 24 37.402 -1.868 9.964 179 H LEU 25 HN LEU 25 37.336 5.283 6.150 180 HA LEU 25 HA LEU 25 34.800 3.926 6.478 181 HB2 LEU 25 HB2 LEU 25 36.009 3.937 8.833 182 HB3 LEU 25 HB1 LEU 25 35.533 5.641 8.867 183 HG LEU 25 HG LEU 25 33.795 4.437 9.985 184 HD11 LEU 25 HD11 LEU 25 33.097 6.173 8.278 185 HD12 LEU 25 HD12 LEU 25 31.847 4.978 8.690 186 HD13 LEU 25 HD13 LEU 25 32.735 4.838 7.158 187 HD21 LEU 25 HD21 LEU 25 32.804 2.411 9.301 188 HD22 LEU 25 HD22 LEU 25 34.498 2.177 8.822 189 HD23 LEU 25 HD23 LEU 25 33.281 2.614 7.603 Start of MODEL 56 1 H1 GLY 1 HT1 GLY 1 71.253 11.960 -1.924 2 H2 GLY 1 HT2 GLY 1 69.772 12.789 -1.990 3 H3 GLY 1 HT3 GLY 1 70.285 11.847 -3.309 4 HA2 GLY 1 HA1 GLY 1 70.139 9.865 -2.004 5 HA3 GLY 1 HA2 GLY 1 69.616 10.847 -0.620 6 H TRP 2 HN TRP 2 67.537 10.504 -0.248 7 HA TRP 2 HA TRP 2 65.682 9.554 -2.200 8 HB2 TRP 2 HB2 TRP 2 65.190 11.060 0.400 9 HB3 TRP 2 HB1 TRP 2 63.949 10.186 -0.530 10 HD1 TRP 2 HD1 TRP 2 66.744 9.682 1.930 11 HE1 TRP 2 HE1 TRP 2 66.978 7.167 2.545 12 HE3 TRP 2 HE3 TRP 2 63.647 7.689 -1.627 13 HZ2 TRP 2 HZ2 TRP 2 65.946 4.652 1.599 14 HZ3 TRP 2 HZ3 TRP 2 63.286 5.229 -1.751 15 HH2 TRP 2 HH2 TRP 2 64.432 3.709 -0.143 16 H GLY 3 HN GLY 3 65.335 12.699 -0.530 17 HA2 GLY 3 HA1 GLY 3 64.908 14.811 -1.414 18 HA3 GLY 3 HA2 GLY 3 65.245 14.187 -3.040 19 H SER 4 HN SER 4 62.919 12.634 -0.914 20 HA SER 4 HA SER 4 60.834 12.665 -2.829 21 HB2 SER 4 HB2 SER 4 59.347 12.109 -0.918 22 HB3 SER 4 HB1 SER 4 60.848 11.156 -0.898 23 HG SER 4 HG SER 4 61.668 12.645 0.629 24 H ILE 5 HN ILE 5 59.968 14.419 -3.739 25 HA ILE 5 HA ILE 5 59.920 16.990 -2.438 26 HB ILE 5 HB ILE 5 59.952 16.860 -4.863 27 HG12 ILE 5 HG12 ILE 5 57.225 17.926 -3.988 28 HG13 ILE 5 HG11 ILE 5 58.767 18.775 -3.726 29 HG21 ILE 5 HG21 ILE 5 58.476 14.662 -4.820 30 HG22 ILE 5 HG22 ILE 5 58.372 15.764 -6.209 31 HG23 ILE 5 HG23 ILE 5 57.110 15.793 -4.961 32 HD11 ILE 5 HD1 ILE 5 59.183 18.652 -6.212 33 HD12 ILE 5 HD2 ILE 5 57.763 19.631 -5.769 34 HD13 ILE 5 HD3 ILE 5 57.546 17.982 -6.403 35 H PHE 6 HN PHE 6 58.926 16.878 -0.457 36 HA PHE 6 HA PHE 6 57.167 16.712 1.057 37 HB2 PHE 6 HB2 PHE 6 55.753 17.813 -1.402 38 HB3 PHE 6 HB1 PHE 6 55.005 17.724 0.211 39 HD1 PHE 6 HD1 PHE 6 57.409 19.493 -1.917 40 HD2 PHE 6 HD2 PHE 6 56.025 18.979 2.139 41 HE1 PHE 6 HE1 PHE 6 58.551 21.608 -1.259 42 HE2 PHE 6 HE2 PHE 6 57.166 21.094 2.795 43 HZ PHE 6 HZ PHE 6 58.417 22.417 1.094 44 H LYS 7 HN LYS 7 57.707 14.242 0.357 45 HA LYS 7 HA LYS 7 56.826 12.111 0.131 46 HB2 LYS 7 HB2 LYS 7 54.247 13.500 0.960 47 HB3 LYS 7 HB1 LYS 7 54.562 11.750 1.019 48 HG2 LYS 7 HG2 LYS 7 56.436 12.132 2.596 49 HG3 LYS 7 HG1 LYS 7 56.148 13.882 2.516 50 HD2 LYS 7 HD2 LYS 7 54.924 13.408 4.443 51 HD3 LYS 7 HD1 LYS 7 53.647 13.154 3.235 52 HE2 LYS 7 HE2 LYS 7 55.435 10.950 4.373 53 HE3 LYS 7 HE1 LYS 7 53.782 11.304 4.921 54 HZ1 LYS 7 HZ1 LYS 7 54.688 10.210 2.335 55 HZ2 LYS 7 HZ2 LYS 7 53.212 11.047 2.431 56 HZ3 LYS 7 HZ3 LYS 7 53.464 9.652 3.368 57 H HIS 8 HN HIS 8 57.244 12.811 -2.268 58 HA HIS 8 HA HIS 8 56.520 12.807 -4.483 59 HB2 HIS 8 HB2 HIS 8 54.432 10.840 -3.486 60 HB3 HIS 8 HB1 HIS 8 55.218 10.896 -5.082 61 HD1 HIS 8 HD1 HIS 8 56.307 10.588 -1.397 62 HD2 HIS 8 HD2 HIS 8 57.412 9.230 -5.220 63 HE1 HIS 8 HE1 HIS 8 58.239 8.944 -1.092 64 H GLY 9 HN GLY 9 55.174 14.732 -2.617 65 HA2 GLY 9 HA1 GLY 9 53.621 16.423 -3.045 66 HA3 GLY 9 HA2 GLY 9 53.081 15.557 -4.496 67 H ARG 10 HN ARG 10 53.184 14.814 -0.983 68 HA ARG 10 HA ARG 10 51.544 13.998 0.421 69 HB2 ARG 10 HB2 ARG 10 49.881 15.770 -1.404 70 HB3 ARG 10 HB1 ARG 10 49.189 14.929 0.001 71 HG2 ARG 10 HG2 ARG 10 49.844 17.207 0.636 72 HG3 ARG 10 HG1 ARG 10 50.878 16.026 1.471 73 HD2 ARG 10 HD2 ARG 10 52.751 16.522 0.122 74 HD3 ARG 10 HD1 ARG 10 51.755 17.207 -1.187 75 HE ARG 10 HE ARG 10 51.981 19.273 -0.093 76 HH11 ARG 10 HH11 ARG 10 50.309 18.494 2.255 77 HH12 ARG 10 HH12 ARG 10 51.406 18.714 3.577 78 HH21 ARG 10 HH21 ARG 10 54.233 18.775 1.569 79 HH22 ARG 10 HH22 ARG 10 53.628 18.871 3.189 80 H HIS 11 HN HIS 11 52.305 12.406 -1.949 81 HA HIS 11 HA HIS 11 49.760 10.826 -2.245 82 HB2 HIS 11 HB2 HIS 11 52.097 11.099 -4.177 83 HB3 HIS 11 HB1 HIS 11 50.747 9.956 -4.378 84 HD1 HIS 11 HD1 HIS 11 48.617 12.129 -3.162 85 HD2 HIS 11 HD2 HIS 11 51.165 12.576 -6.477 86 HE1 HIS 11 HE1 HIS 11 47.629 13.965 -4.639 87 H ALA 12 HN ALA 12 50.351 10.160 -0.209 88 HA ALA 12 HA ALA 12 51.144 7.478 -0.114 89 HB1 ALA 12 HB1 ALA 12 53.396 8.356 -0.576 90 HB2 ALA 12 HB2 ALA 12 53.306 7.905 1.140 91 HB3 ALA 12 HB3 ALA 12 53.050 9.596 0.632 92 H ALA 13 HN ALA 13 51.191 10.734 1.112 93 HA ALA 13 HA ALA 13 50.448 10.031 3.870 94 HB1 ALA 13 HB1 ALA 13 51.104 12.413 3.182 95 HB2 ALA 13 HB2 ALA 13 49.477 12.317 3.897 96 HB3 ALA 13 HB3 ALA 13 49.668 12.446 2.132 97 H LYS 14 HN LYS 14 50.074 9.406 0.731 98 HA LYS 14 HA LYS 14 47.037 8.747 0.857 99 HB2 LYS 14 HB2 LYS 14 48.188 10.249 -0.904 100 HB3 LYS 14 HB1 LYS 14 49.056 8.739 -1.415 101 HG2 LYS 14 HG2 LYS 14 47.143 7.920 -2.480 102 HG3 LYS 14 HG1 LYS 14 46.028 8.558 -1.246 103 HD2 LYS 14 HD2 LYS 14 46.223 10.815 -2.214 104 HD3 LYS 14 HD1 LYS 14 47.402 10.219 -3.407 105 HE2 LYS 14 HE2 LYS 14 45.695 8.662 -4.313 106 HE3 LYS 14 HE1 LYS 14 44.514 9.276 -3.132 107 HZ1 LYS 14 HZ1 LYS 14 45.522 10.505 -5.565 108 HZ2 LYS 14 HZ2 LYS 14 45.375 11.551 -4.235 109 HZ3 LYS 14 HZ3 LYS 14 44.024 10.687 -4.794 110 H HIS 15 HN HIS 15 46.887 6.983 -1.077 111 HA HIS 15 HA HIS 15 46.806 4.649 -1.222 112 HB2 HIS 15 HB2 HIS 15 48.555 5.507 -2.813 113 HB3 HIS 15 HB1 HIS 15 49.787 5.121 -1.589 114 HD1 HIS 15 HD1 HIS 15 50.728 2.810 -1.682 115 HD2 HIS 15 HD2 HIS 15 46.891 3.015 -3.391 116 HE1 HIS 15 HE1 HIS 15 50.208 0.511 -2.665 117 H ILE 16 HN ILE 16 47.573 5.781 1.537 118 HA ILE 16 HA ILE 16 47.662 3.485 2.915 119 HB ILE 16 HB ILE 16 49.817 2.787 2.177 120 HG12 ILE 16 HG12 ILE 16 50.427 4.257 4.770 121 HG13 ILE 16 HG11 ILE 16 49.390 2.816 4.721 122 HG21 ILE 16 HG21 ILE 16 50.662 5.672 2.697 123 HG22 ILE 16 HG22 ILE 16 50.612 4.874 1.115 124 HG23 ILE 16 HG23 ILE 16 51.805 4.379 2.330 125 HD11 ILE 16 HD1 ILE 16 51.428 1.719 3.426 126 HD12 ILE 16 HD2 ILE 16 51.503 1.889 5.192 127 HD13 ILE 16 HD3 ILE 16 52.362 3.047 4.155 128 H GLY 17 HN GLY 17 48.957 6.529 2.733 129 HA2 GLY 17 HA1 GLY 17 48.449 7.110 5.568 130 HA3 GLY 17 HA2 GLY 17 48.918 8.281 4.320 131 H HIS 18 HN HIS 18 46.823 6.676 2.598 132 HA HIS 18 HA HIS 18 44.510 8.434 3.398 133 HB2 HIS 18 HB2 HIS 18 45.427 7.057 0.906 134 HB3 HIS 18 HB1 HIS 18 43.675 6.981 1.166 135 HD1 HIS 18 HD1 HIS 18 43.324 8.600 -0.880 136 HD2 HIS 18 HD2 HIS 18 45.535 10.262 2.285 137 HE1 HIS 18 HE1 HIS 18 43.376 11.129 -1.233 138 H ALA 19 HN ALA 19 45.376 4.980 2.887 139 HA ALA 19 HA ALA 19 44.033 3.872 5.032 140 HB1 ALA 19 HB1 ALA 19 41.855 4.619 4.606 141 HB2 ALA 19 HB2 ALA 19 41.833 3.073 3.734 142 HB3 ALA 19 HB3 ALA 19 42.080 4.594 2.841 143 H ALA 20 HN ALA 20 45.843 3.713 2.421 144 HA ALA 20 HA ALA 20 46.779 1.984 1.185 145 HB1 ALA 20 HB1 ALA 20 47.016 -0.145 2.247 146 HB2 ALA 20 HB2 ALA 20 45.552 0.103 3.230 147 HB3 ALA 20 HB3 ALA 20 47.017 1.061 3.554 148 H VAL 21 HN VAL 21 43.750 2.754 1.260 149 HA VAL 21 HA VAL 21 42.938 0.795 -0.840 150 HB VAL 21 HB VAL 21 41.262 1.523 1.606 151 HG11 VAL 21 HG11 VAL 21 39.710 1.425 -0.183 152 HG12 VAL 21 HG12 VAL 21 39.681 -0.230 0.457 153 HG13 VAL 21 HG13 VAL 21 40.605 0.134 -1.019 154 HG21 VAL 21 HG21 VAL 21 42.454 -1.113 0.626 155 HG22 VAL 21 HG22 VAL 21 41.310 -0.967 1.982 156 HG23 VAL 21 HG23 VAL 21 42.918 -0.218 2.093 157 H ASN 22 HN ASN 22 43.296 3.854 0.452 158 HA ASN 22 HA ASN 22 43.054 5.860 -0.822 159 HB2 ASN 22 HB2 ASN 22 40.493 4.763 -2.029 160 HB3 ASN 22 HB1 ASN 22 41.390 6.219 -2.499 161 HD21 ASN 22 HD21 ASN 22 44.005 4.551 -1.971 162 HD22 ASN 22 HD22 ASN 22 44.173 3.631 -3.471 163 H HIS 23 HN HIS 23 40.364 4.098 0.640 164 HA HIS 23 HA HIS 23 39.853 6.385 2.426 165 HB2 HIS 23 HB2 HIS 23 37.788 5.482 0.380 166 HB3 HIS 23 HB1 HIS 23 37.403 6.459 1.817 167 HD1 HIS 23 HD1 HIS 23 39.239 8.658 2.025 168 HD2 HIS 23 HD2 HIS 23 38.156 7.174 -1.755 169 HE1 HIS 23 HE1 HIS 23 39.785 10.471 0.311 170 H TYR 24 HN TYR 24 37.305 4.154 1.546 171 HA TYR 24 HA TYR 24 36.288 2.467 2.766 172 HB2 TYR 24 HB2 TYR 24 38.474 1.340 2.217 173 HB3 TYR 24 HB1 TYR 24 39.087 1.871 3.802 174 HD1 TYR 24 HD1 TYR 24 36.314 -0.058 2.158 175 HD2 TYR 24 HD2 TYR 24 38.568 0.633 5.775 176 HE1 TYR 24 HE1 TYR 24 35.193 -2.007 3.231 177 HE2 TYR 24 HE2 TYR 24 37.446 -1.317 6.847 178 HH TYR 24 HH TYR 24 34.731 -2.743 5.782 179 H LEU 25 HN LEU 25 37.371 5.184 4.079 180 HA LEU 25 HA LEU 25 37.195 6.188 6.159 181 HB2 LEU 25 HB2 LEU 25 34.839 5.794 5.849 182 HB3 LEU 25 HB1 LEU 25 34.999 4.089 6.321 183 HG LEU 25 HG LEU 25 35.472 4.686 8.621 184 HD11 LEU 25 HD11 LEU 25 35.405 7.205 9.240 185 HD12 LEU 25 HD12 LEU 25 35.682 7.511 7.507 186 HD13 LEU 25 HD13 LEU 25 36.883 6.603 8.456 187 HD21 LEU 25 HD21 LEU 25 33.396 5.861 9.226 188 HD22 LEU 25 HD22 LEU 25 33.087 4.726 7.889 189 HD23 LEU 25 HD23 LEU 25 33.234 6.470 7.561 Start of MODEL 57 1 H1 GLY 1 HT1 GLY 1 55.714 22.344 -10.714 2 H2 GLY 1 HT2 GLY 1 54.204 23.064 -11.020 3 H3 GLY 1 HT3 GLY 1 54.478 22.240 -9.559 4 HA2 GLY 1 HA1 GLY 1 55.825 24.705 -10.448 5 HA3 GLY 1 HA2 GLY 1 54.520 24.604 -9.250 6 H TRP 2 HN TRP 2 56.816 25.813 -8.508 7 HA TRP 2 HA TRP 2 58.486 25.762 -6.906 8 HB2 TRP 2 HB2 TRP 2 56.612 25.022 -5.476 9 HB3 TRP 2 HB1 TRP 2 56.947 23.330 -5.910 10 HD1 TRP 2 HD1 TRP 2 58.658 22.100 -4.476 11 HE1 TRP 2 HE1 TRP 2 60.397 22.745 -2.654 12 HE3 TRP 2 HE3 TRP 2 58.293 27.198 -4.779 13 HZ2 TRP 2 HZ2 TRP 2 61.464 25.161 -1.505 14 HZ3 TRP 2 HZ3 TRP 2 59.680 28.653 -3.311 15 HH2 TRP 2 HH2 TRP 2 61.264 27.641 -1.675 16 H GLY 3 HN GLY 3 57.978 22.231 -6.927 17 HA2 GLY 3 HA1 GLY 3 60.073 21.573 -8.729 18 HA3 GLY 3 HA2 GLY 3 60.766 21.668 -7.098 19 H SER 4 HN SER 4 57.661 20.886 -6.530 20 HA SER 4 HA SER 4 57.527 18.119 -7.315 21 HB2 SER 4 HB2 SER 4 57.909 17.126 -5.039 22 HB3 SER 4 HB1 SER 4 59.382 17.776 -5.792 23 HG SER 4 HG SER 4 57.723 19.045 -3.851 24 H ILE 5 HN ILE 5 55.394 17.988 -7.532 25 HA ILE 5 HA ILE 5 53.576 19.620 -5.991 26 HB ILE 5 HB ILE 5 51.813 18.039 -7.018 27 HG12 ILE 5 HG12 ILE 5 54.173 17.043 -8.682 28 HG13 ILE 5 HG11 ILE 5 53.630 16.158 -7.243 29 HG21 ILE 5 HG21 ILE 5 52.530 20.220 -8.013 30 HG22 ILE 5 HG22 ILE 5 52.087 19.025 -9.250 31 HG23 ILE 5 HG23 ILE 5 53.801 19.365 -8.917 32 HD11 ILE 5 HD1 ILE 5 52.499 15.163 -9.109 33 HD12 ILE 5 HD2 ILE 5 52.043 16.745 -9.774 34 HD13 ILE 5 HD3 ILE 5 51.281 16.156 -8.278 35 H PHE 6 HN PHE 6 52.153 16.580 -6.041 36 HA PHE 6 HA PHE 6 52.223 16.443 -3.107 37 HB2 PHE 6 HB2 PHE 6 51.041 14.314 -4.916 38 HB3 PHE 6 HB1 PHE 6 50.494 14.857 -3.312 39 HD1 PHE 6 HD1 PHE 6 49.493 14.897 -6.599 40 HD2 PHE 6 HD2 PHE 6 50.233 17.682 -3.381 41 HE1 PHE 6 HE1 PHE 6 47.947 16.535 -7.658 42 HE2 PHE 6 HE2 PHE 6 48.685 19.316 -4.444 43 HZ PHE 6 HZ PHE 6 47.597 18.770 -6.616 44 H LYS 7 HN LYS 7 54.249 15.389 -5.572 45 HA LYS 7 HA LYS 7 54.947 12.754 -4.794 46 HB2 LYS 7 HB2 LYS 7 55.738 13.974 -6.849 47 HB3 LYS 7 HB1 LYS 7 56.849 14.900 -5.810 48 HG2 LYS 7 HG2 LYS 7 57.962 12.845 -5.093 49 HG3 LYS 7 HG1 LYS 7 56.794 11.857 -6.002 50 HD2 LYS 7 HD2 LYS 7 57.553 12.875 -8.118 51 HD3 LYS 7 HD1 LYS 7 58.697 13.904 -7.224 52 HE2 LYS 7 HE2 LYS 7 58.716 10.855 -7.305 53 HE3 LYS 7 HE1 LYS 7 59.858 11.932 -8.144 54 HZ1 LYS 7 HZ1 LYS 7 61.039 11.605 -6.265 55 HZ2 LYS 7 HZ2 LYS 7 59.678 11.238 -5.316 56 HZ3 LYS 7 HZ3 LYS 7 60.063 12.857 -5.666 57 H HIS 8 HN HIS 8 56.023 15.914 -3.544 58 HA HIS 8 HA HIS 8 58.091 14.888 -1.842 59 HB2 HIS 8 HB2 HIS 8 57.826 17.284 -2.466 60 HB3 HIS 8 HB1 HIS 8 56.369 17.365 -1.446 61 HD1 HIS 8 HD1 HIS 8 58.943 15.118 -0.065 62 HD2 HIS 8 HD2 HIS 8 57.994 19.206 0.201 63 HE1 HIS 8 HE1 HIS 8 60.217 16.067 1.936 64 H GLY 9 HN GLY 9 56.982 12.931 -1.052 65 HA2 GLY 9 HA1 GLY 9 55.709 11.770 0.512 66 HA3 GLY 9 HA2 GLY 9 56.372 12.982 1.622 67 H ARG 10 HN ARG 10 53.647 12.192 -0.519 68 HA ARG 10 HA ARG 10 51.771 13.308 1.387 69 HB2 ARG 10 HB2 ARG 10 52.814 15.339 0.069 70 HB3 ARG 10 HB1 ARG 10 51.772 14.790 -1.262 71 HG2 ARG 10 HG2 ARG 10 49.840 14.821 0.458 72 HG3 ARG 10 HG1 ARG 10 50.947 15.722 1.518 73 HD2 ARG 10 HD2 ARG 10 51.237 17.444 -0.240 74 HD3 ARG 10 HD1 ARG 10 50.133 16.542 -1.304 75 HE ARG 10 HE ARG 10 48.703 16.982 1.075 76 HH11 ARG 10 HH11 ARG 10 48.558 19.300 1.872 77 HH12 ARG 10 HH12 ARG 10 48.271 20.459 0.617 78 HH21 ARG 10 HH21 ARG 10 49.082 18.274 -1.951 79 HH22 ARG 10 HH22 ARG 10 48.568 19.877 -1.547 80 H HIS 11 HN HIS 11 52.607 11.077 -0.706 81 HA HIS 11 HA HIS 11 49.773 10.436 -1.409 82 HB2 HIS 11 HB2 HIS 11 50.393 9.783 -3.687 83 HB3 HIS 11 HB1 HIS 11 50.779 11.502 -3.432 84 HD1 HIS 11 HD1 HIS 11 53.420 10.987 -1.720 85 HD2 HIS 11 HD2 HIS 11 52.538 9.327 -5.483 86 HE1 HIS 11 HE1 HIS 11 55.638 10.308 -2.792 87 H ALA 12 HN ALA 12 49.232 8.437 -1.529 88 HA ALA 12 HA ALA 12 49.236 6.176 -1.140 89 HB1 ALA 12 HB1 ALA 12 52.123 6.443 -0.864 90 HB2 ALA 12 HB2 ALA 12 51.380 6.347 -2.462 91 HB3 ALA 12 HB3 ALA 12 51.254 4.989 -1.317 92 H ALA 13 HN ALA 13 51.389 8.338 0.602 93 HA ALA 13 HA ALA 13 51.258 6.791 3.093 94 HB1 ALA 13 HB1 ALA 13 51.712 9.731 2.349 95 HB2 ALA 13 HB2 ALA 13 52.840 8.635 3.183 96 HB3 ALA 13 HB3 ALA 13 51.399 9.245 4.031 97 H LYS 14 HN LYS 14 49.717 7.700 0.454 98 HA LYS 14 HA LYS 14 46.970 8.281 1.826 99 HB2 LYS 14 HB2 LYS 14 48.192 9.835 0.067 100 HB3 LYS 14 HB1 LYS 14 47.764 8.525 -1.091 101 HG2 LYS 14 HG2 LYS 14 45.331 9.094 0.345 102 HG3 LYS 14 HG1 LYS 14 46.062 10.691 0.113 103 HD2 LYS 14 HD2 LYS 14 45.675 8.685 -2.150 104 HD3 LYS 14 HD1 LYS 14 44.512 9.968 -1.749 105 HE2 LYS 14 HE2 LYS 14 46.296 11.674 -2.067 106 HE3 LYS 14 HE1 LYS 14 47.436 10.384 -2.516 107 HZ1 LYS 14 HZ1 LYS 14 45.972 9.791 -4.352 108 HZ2 LYS 14 HZ2 LYS 14 46.454 11.416 -4.467 109 HZ3 LYS 14 HZ3 LYS 14 44.892 11.027 -3.925 110 H HIS 15 HN HIS 15 45.524 7.676 -0.534 111 HA HIS 15 HA HIS 15 44.286 5.746 -1.129 112 HB2 HIS 15 HB2 HIS 15 45.840 6.476 -2.981 113 HB3 HIS 15 HB1 HIS 15 46.967 5.206 -2.450 114 HD1 HIS 15 HD1 HIS 15 43.455 5.690 -3.865 115 HD2 HIS 15 HD2 HIS 15 46.291 2.633 -3.314 116 HE1 HIS 15 HE1 HIS 15 42.582 3.613 -5.071 117 H ILE 16 HN ILE 16 45.901 5.349 1.389 118 HA ILE 16 HA ILE 16 45.328 2.841 2.023 119 HB ILE 16 HB ILE 16 46.682 1.724 0.377 120 HG12 ILE 16 HG12 ILE 16 48.407 1.763 2.882 121 HG13 ILE 16 HG11 ILE 16 46.842 0.926 2.804 122 HG21 ILE 16 HG21 ILE 16 49.096 2.228 0.068 123 HG22 ILE 16 HG22 ILE 16 49.003 3.501 1.288 124 HG23 ILE 16 HG23 ILE 16 48.149 3.693 -0.260 125 HD11 ILE 16 HD1 ILE 16 47.860 -0.236 0.659 126 HD12 ILE 16 HD2 ILE 16 48.366 -0.790 2.268 127 HD13 ILE 16 HD3 ILE 16 49.419 0.293 1.334 128 H GLY 17 HN GLY 17 47.997 4.808 2.050 129 HA2 GLY 17 HA1 GLY 17 48.527 4.495 4.882 130 HA3 GLY 17 HA2 GLY 17 49.180 5.771 3.835 131 H HIS 18 HN HIS 18 46.163 5.925 2.896 132 HA HIS 18 HA HIS 18 45.437 8.008 4.945 133 HB2 HIS 18 HB2 HIS 18 44.783 7.450 2.089 134 HB3 HIS 18 HB1 HIS 18 43.366 7.918 3.047 135 HD1 HIS 18 HD1 HIS 18 46.771 9.283 3.951 136 HD2 HIS 18 HD2 HIS 18 43.332 10.521 1.868 137 HE1 HIS 18 HE1 HIS 18 46.984 11.799 3.555 138 H ALA 19 HN ALA 19 44.576 4.828 3.685 139 HA ALA 19 HA ALA 19 43.113 4.211 6.132 140 HB1 ALA 19 HB1 ALA 19 40.922 3.749 4.920 141 HB2 ALA 19 HB2 ALA 19 41.552 4.743 3.584 142 HB3 ALA 19 HB3 ALA 19 41.312 5.463 5.196 143 H ALA 20 HN ALA 20 42.754 3.297 2.703 144 HA ALA 20 HA ALA 20 44.347 0.898 2.931 145 HB1 ALA 20 HB1 ALA 20 42.445 0.121 4.280 146 HB2 ALA 20 HB2 ALA 20 42.501 -0.738 2.722 147 HB3 ALA 20 HB3 ALA 20 41.322 0.572 2.977 148 H VAL 21 HN VAL 21 42.127 3.063 1.444 149 HA VAL 21 HA VAL 21 43.173 2.363 -1.236 150 HB VAL 21 HB VAL 21 40.172 2.345 -0.647 151 HG11 VAL 21 HG11 VAL 21 40.551 3.306 -2.819 152 HG12 VAL 21 HG12 VAL 21 40.119 1.608 -3.105 153 HG13 VAL 21 HG13 VAL 21 41.820 2.119 -3.197 154 HG21 VAL 21 HG21 VAL 21 42.164 0.142 -1.336 155 HG22 VAL 21 HG22 VAL 21 40.404 -0.059 -1.506 156 HG23 VAL 21 HG23 VAL 21 41.110 0.248 0.094 157 H ASN 22 HN ASN 22 41.728 4.462 1.102 158 HA ASN 22 HA ASN 22 42.583 6.880 0.034 159 HB2 ASN 22 HB2 ASN 22 41.316 6.728 -1.979 160 HB3 ASN 22 HB1 ASN 22 39.904 6.050 -1.136 161 HD21 ASN 22 HD21 ASN 22 38.326 7.517 -0.376 162 HD22 ASN 22 HD22 ASN 22 38.523 9.272 -0.446 163 H HIS 23 HN HIS 23 39.772 5.226 1.475 164 HA HIS 23 HA HIS 23 39.980 6.918 3.875 165 HB2 HIS 23 HB2 HIS 23 37.656 7.773 3.714 166 HB3 HIS 23 HB1 HIS 23 38.702 8.419 2.427 167 HD1 HIS 23 HD1 HIS 23 38.631 5.631 0.749 168 HD2 HIS 23 HD2 HIS 23 35.341 7.913 2.038 169 HE1 HIS 23 HE1 HIS 23 36.656 5.038 -0.759 170 H TYR 24 HN TYR 24 39.533 5.727 5.572 171 HA TYR 24 HA TYR 24 38.488 3.049 5.287 172 HB2 TYR 24 HB2 TYR 24 40.019 3.705 7.118 173 HB3 TYR 24 HB1 TYR 24 38.773 4.797 7.770 174 HD1 TYR 24 HD1 TYR 24 36.829 3.934 8.950 175 HD2 TYR 24 HD2 TYR 24 39.690 1.243 7.159 176 HE1 TYR 24 HE1 TYR 24 35.811 2.027 10.189 177 HE2 TYR 24 HE2 TYR 24 38.673 -0.664 8.399 178 HH TYR 24 HH TYR 24 35.893 -0.816 9.735 179 H LEU 25 HN LEU 25 37.038 6.034 5.086 180 HA LEU 25 HA LEU 25 34.555 5.427 6.530 181 HB2 LEU 25 HB2 LEU 25 34.937 7.505 4.347 182 HB3 LEU 25 HB1 LEU 25 33.767 7.514 5.687 183 HG LEU 25 HG LEU 25 36.799 7.755 5.928 184 HD11 LEU 25 HD11 LEU 25 34.579 9.736 6.596 185 HD12 LEU 25 HD12 LEU 25 35.531 9.770 5.092 186 HD13 LEU 25 HD13 LEU 25 36.332 10.031 6.661 187 HD21 LEU 25 HD21 LEU 25 34.573 7.491 7.992 188 HD22 LEU 25 HD22 LEU 25 36.120 8.280 8.387 189 HD23 LEU 25 HD23 LEU 25 36.096 6.576 7.880 Start of MODEL 58 1 H1 GLY 1 HT1 GLY 1 56.474 18.271 -3.633 2 H2 GLY 1 HT2 GLY 1 56.656 19.857 -4.216 3 H3 GLY 1 HT3 GLY 1 55.421 19.490 -3.106 4 HA2 GLY 1 HA1 GLY 1 57.301 20.657 -2.120 5 HA3 GLY 1 HA2 GLY 1 56.939 19.079 -1.391 6 H TRP 2 HN TRP 2 59.421 20.964 -2.076 7 HA TRP 2 HA TRP 2 61.667 20.609 -2.525 8 HB2 TRP 2 HB2 TRP 2 61.192 18.943 -0.619 9 HB3 TRP 2 HB1 TRP 2 61.145 17.682 -1.873 10 HD1 TRP 2 HD1 TRP 2 63.542 20.609 -0.965 11 HE1 TRP 2 HE1 TRP 2 65.996 19.776 -1.172 12 HE3 TRP 2 HE3 TRP 2 62.638 15.801 -2.475 13 HZ2 TRP 2 HZ2 TRP 2 67.351 17.343 -1.900 14 HZ3 TRP 2 HZ3 TRP 2 64.527 14.241 -2.920 15 HH2 TRP 2 HH2 TRP 2 66.880 15.007 -2.634 16 H GLY 3 HN GLY 3 63.202 18.734 -3.670 17 HA2 GLY 3 HA1 GLY 3 62.616 18.960 -6.424 18 HA3 GLY 3 HA2 GLY 3 63.770 17.815 -5.711 19 H SER 4 HN SER 4 61.375 16.783 -4.057 20 HA SER 4 HA SER 4 60.772 14.571 -5.821 21 HB2 SER 4 HB2 SER 4 59.550 15.470 -3.186 22 HB3 SER 4 HB1 SER 4 59.133 13.951 -4.011 23 HG SER 4 HG SER 4 61.830 14.364 -3.812 24 H ILE 5 HN ILE 5 59.013 14.114 -7.057 25 HA ILE 5 HA ILE 5 57.386 16.384 -7.900 26 HB ILE 5 HB ILE 5 56.919 13.455 -8.594 27 HG12 ILE 5 HG12 ILE 5 58.884 15.461 -9.793 28 HG13 ILE 5 HG11 ILE 5 59.294 13.943 -8.961 29 HG21 ILE 5 HG21 ILE 5 56.520 15.963 -10.277 30 HG22 ILE 5 HG22 ILE 5 55.243 15.305 -9.227 31 HG23 ILE 5 HG23 ILE 5 55.878 14.329 -10.571 32 HD11 ILE 5 HD1 ILE 5 59.430 13.390 -11.265 33 HD12 ILE 5 HD2 ILE 5 57.970 14.323 -11.668 34 HD13 ILE 5 HD3 ILE 5 57.829 12.785 -10.780 35 H PHE 6 HN PHE 6 56.655 16.669 -5.535 36 HA PHE 6 HA PHE 6 54.960 16.512 -3.956 37 HB2 PHE 6 HB2 PHE 6 53.380 15.730 -6.438 38 HB3 PHE 6 HB1 PHE 6 52.670 16.227 -4.884 39 HD1 PHE 6 HD1 PHE 6 52.990 18.544 -4.029 40 HD2 PHE 6 HD2 PHE 6 54.409 17.350 -7.927 41 HE1 PHE 6 HE1 PHE 6 53.242 20.938 -4.671 42 HE2 PHE 6 HE2 PHE 6 54.658 19.746 -8.569 43 HZ PHE 6 HZ PHE 6 54.143 21.536 -6.915 44 H LYS 7 HN LYS 7 56.537 14.006 -4.777 45 HA LYS 7 HA LYS 7 54.700 11.788 -4.399 46 HB2 LYS 7 HB2 LYS 7 57.723 11.968 -4.071 47 HB3 LYS 7 HB1 LYS 7 56.780 10.458 -4.096 48 HG2 LYS 7 HG2 LYS 7 55.911 11.104 -6.368 49 HG3 LYS 7 HG1 LYS 7 57.008 12.506 -6.342 50 HD2 LYS 7 HD2 LYS 7 58.923 10.883 -5.959 51 HD3 LYS 7 HD1 LYS 7 57.773 9.559 -6.263 52 HE2 LYS 7 HE2 LYS 7 58.621 11.767 -8.178 53 HE3 LYS 7 HE1 LYS 7 58.844 10.011 -8.366 54 HZ1 LYS 7 HZ1 LYS 7 56.980 10.284 -9.604 55 HZ2 LYS 7 HZ2 LYS 7 56.441 11.642 -8.736 56 HZ3 LYS 7 HZ3 LYS 7 56.229 10.081 -8.097 57 H HIS 8 HN HIS 8 57.384 12.931 -2.295 58 HA HIS 8 HA HIS 8 55.944 11.800 0.065 59 HB2 HIS 8 HB2 HIS 8 58.392 11.350 -0.329 60 HB3 HIS 8 HB1 HIS 8 58.698 13.087 -0.094 61 HD1 HIS 8 HD1 HIS 8 59.388 13.629 2.233 62 HD2 HIS 8 HD2 HIS 8 56.759 10.349 2.103 63 HE1 HIS 8 HE1 HIS 8 59.020 12.853 4.639 64 H GLY 9 HN GLY 9 54.270 13.570 -0.339 65 HA2 GLY 9 HA1 GLY 9 54.753 15.663 1.620 66 HA3 GLY 9 HA2 GLY 9 54.719 16.296 -0.039 67 H ARG 10 HN ARG 10 52.801 14.060 -0.787 68 HA ARG 10 HA ARG 10 50.408 14.510 0.788 69 HB2 ARG 10 HB2 ARG 10 49.144 15.727 -1.024 70 HB3 ARG 10 HB1 ARG 10 50.396 16.704 -0.219 71 HG2 ARG 10 HG2 ARG 10 51.977 16.142 -2.087 72 HG3 ARG 10 HG1 ARG 10 50.648 15.288 -2.909 73 HD2 ARG 10 HD2 ARG 10 50.800 18.249 -2.216 74 HD3 ARG 10 HD1 ARG 10 50.742 17.517 -3.837 75 HE ARG 10 HE ARG 10 48.414 16.702 -2.397 76 HH11 ARG 10 HH11 ARG 10 47.042 17.420 -4.382 77 HH12 ARG 10 HH12 ARG 10 46.810 19.135 -4.437 78 HH21 ARG 10 HH21 ARG 10 49.356 19.821 -2.187 79 HH22 ARG 10 HH22 ARG 10 48.118 20.495 -3.194 80 H HIS 11 HN HIS 11 51.981 12.340 -0.378 81 HA HIS 11 HA HIS 11 49.740 10.848 -1.515 82 HB2 HIS 11 HB2 HIS 11 52.143 11.565 -3.243 83 HB3 HIS 11 HB1 HIS 11 51.104 10.159 -3.579 84 HD1 HIS 11 HD1 HIS 11 51.442 13.680 -4.360 85 HD2 HIS 11 HD2 HIS 11 48.224 11.022 -3.852 86 HE1 HIS 11 HE1 HIS 11 49.379 14.773 -5.401 87 H ALA 12 HN ALA 12 49.890 8.795 -1.451 88 HA ALA 12 HA ALA 12 50.538 6.709 -0.774 89 HB1 ALA 12 HB1 ALA 12 53.110 7.923 -0.147 90 HB2 ALA 12 HB2 ALA 12 52.725 7.451 -1.805 91 HB3 ALA 12 HB3 ALA 12 52.818 6.233 -0.509 92 H ALA 13 HN ALA 13 51.630 9.606 0.898 93 HA ALA 13 HA ALA 13 51.554 8.362 3.548 94 HB1 ALA 13 HB1 ALA 13 50.700 10.861 4.031 95 HB2 ALA 13 HB2 ALA 13 51.351 11.181 2.405 96 HB3 ALA 13 HB3 ALA 13 52.425 10.584 3.693 97 H LYS 14 HN LYS 14 50.237 8.399 0.659 98 HA LYS 14 HA LYS 14 47.269 8.244 1.634 99 HB2 LYS 14 HB2 LYS 14 48.155 9.946 -0.146 100 HB3 LYS 14 HB1 LYS 14 48.451 8.485 -1.157 101 HG2 LYS 14 HG2 LYS 14 46.185 8.250 -1.636 102 HG3 LYS 14 HG1 LYS 14 45.667 8.693 0.008 103 HD2 LYS 14 HD2 LYS 14 46.065 11.085 -0.516 104 HD3 LYS 14 HD1 LYS 14 46.591 10.638 -2.157 105 HE2 LYS 14 HE2 LYS 14 43.833 10.185 -0.937 106 HE3 LYS 14 HE1 LYS 14 44.248 11.319 -2.244 107 HZ1 LYS 14 HZ1 LYS 14 44.345 8.348 -2.321 108 HZ2 LYS 14 HZ2 LYS 14 45.035 9.334 -3.521 109 HZ3 LYS 14 HZ3 LYS 14 43.360 9.376 -3.242 110 H HIS 15 HN HIS 15 46.188 7.001 -0.438 111 HA HIS 15 HA HIS 15 45.624 4.785 -0.942 112 HB2 HIS 15 HB2 HIS 15 48.385 5.095 -2.177 113 HB3 HIS 15 HB1 HIS 15 47.156 3.904 -2.668 114 HD1 HIS 15 HD1 HIS 15 48.413 7.050 -3.712 115 HD2 HIS 15 HD2 HIS 15 44.518 5.574 -3.125 116 HE1 HIS 15 HE1 HIS 15 46.829 8.519 -5.077 117 H ILE 16 HN ILE 16 47.271 5.155 1.595 118 HA ILE 16 HA ILE 16 47.333 2.624 2.444 119 HB ILE 16 HB ILE 16 49.079 1.856 0.946 120 HG12 ILE 16 HG12 ILE 16 50.970 1.339 2.424 121 HG13 ILE 16 HG11 ILE 16 50.432 2.561 3.592 122 HG21 ILE 16 HG21 ILE 16 51.298 3.138 0.881 123 HG22 ILE 16 HG22 ILE 16 50.465 4.452 1.717 124 HG23 ILE 16 HG23 ILE 16 49.938 3.972 0.092 125 HD11 ILE 16 HD1 ILE 16 48.431 1.322 4.097 126 HD12 ILE 16 HD2 ILE 16 49.753 0.134 4.091 127 HD13 ILE 16 HD3 ILE 16 48.657 0.253 2.694 128 H GLY 17 HN GLY 17 48.986 5.494 2.397 129 HA2 GLY 17 HA1 GLY 17 49.390 5.518 5.316 130 HA3 GLY 17 HA2 GLY 17 49.703 6.857 4.198 131 H HIS 18 HN HIS 18 46.979 5.884 2.940 132 HA HIS 18 HA HIS 18 45.243 7.539 4.801 133 HB2 HIS 18 HB2 HIS 18 45.304 7.027 1.818 134 HB3 HIS 18 HB1 HIS 18 43.719 7.259 2.569 135 HD1 HIS 18 HD1 HIS 18 43.543 9.535 1.202 136 HD2 HIS 18 HD2 HIS 18 46.518 9.427 4.174 137 HE1 HIS 18 HE1 HIS 18 44.301 11.940 1.611 138 H ALA 19 HN ALA 19 46.158 4.437 3.948 139 HA ALA 19 HA ALA 19 45.304 2.410 4.743 140 HB1 ALA 19 HB1 ALA 19 42.585 3.589 5.389 141 HB2 ALA 19 HB2 ALA 19 43.979 3.980 6.428 142 HB3 ALA 19 HB3 ALA 19 43.485 2.285 6.206 143 H ALA 20 HN ALA 20 44.957 3.865 2.113 144 HA ALA 20 HA ALA 20 43.895 3.516 0.076 145 HB1 ALA 20 HB1 ALA 20 43.510 0.749 1.280 146 HB2 ALA 20 HB2 ALA 20 44.931 1.309 0.365 147 HB3 ALA 20 HB3 ALA 20 43.352 1.161 -0.444 148 H VAL 21 HN VAL 21 42.310 4.085 2.713 149 HA VAL 21 HA VAL 21 39.650 4.023 1.392 150 HB VAL 21 HB VAL 21 40.166 2.723 4.107 151 HG11 VAL 21 HG11 VAL 21 37.631 3.479 2.599 152 HG12 VAL 21 HG12 VAL 21 38.055 3.795 4.299 153 HG13 VAL 21 HG13 VAL 21 37.627 2.152 3.785 154 HG21 VAL 21 HG21 VAL 21 39.158 0.701 2.863 155 HG22 VAL 21 HG22 VAL 21 40.792 1.179 2.369 156 HG23 VAL 21 HG23 VAL 21 39.395 1.630 1.364 157 H ASN 22 HN ASN 22 42.027 5.365 3.430 158 HA ASN 22 HA ASN 22 41.956 7.709 4.039 159 HB2 ASN 22 HB2 ASN 22 39.549 7.952 3.188 160 HB3 ASN 22 HB1 ASN 22 39.033 7.403 4.808 161 HD21 ASN 22 HD21 ASN 22 40.025 8.699 6.712 162 HD22 ASN 22 HD22 ASN 22 40.235 10.434 6.452 163 H HIS 23 HN HIS 23 40.264 5.097 5.692 164 HA HIS 23 HA HIS 23 41.984 5.348 8.008 165 HB2 HIS 23 HB2 HIS 23 40.176 5.915 9.650 166 HB3 HIS 23 HB1 HIS 23 40.593 7.258 8.559 167 HD1 HIS 23 HD1 HIS 23 38.886 7.895 6.683 168 HD2 HIS 23 HD2 HIS 23 37.570 4.863 9.285 169 HE1 HIS 23 HE1 HIS 23 36.383 7.580 6.280 170 H TYR 24 HN TYR 24 42.295 3.302 8.525 171 HA TYR 24 HA TYR 24 40.461 1.211 7.749 172 HB2 TYR 24 HB2 TYR 24 41.951 -0.265 9.033 173 HB3 TYR 24 HB1 TYR 24 42.900 0.859 8.030 174 HD1 TYR 24 HD1 TYR 24 43.995 2.858 9.064 175 HD2 TYR 24 HD2 TYR 24 42.022 -0.149 11.450 176 HE1 TYR 24 HE1 TYR 24 45.151 3.713 11.098 177 HE2 TYR 24 HE2 TYR 24 43.179 0.706 13.484 178 HH TYR 24 HH TYR 24 44.647 2.182 14.290 179 H LEU 25 HN LEU 25 40.142 3.539 10.063 180 HA LEU 25 HA LEU 25 39.207 1.998 12.325 181 HB2 LEU 25 HB2 LEU 25 38.375 4.812 11.523 182 HB3 LEU 25 HB1 LEU 25 38.325 4.097 13.149 183 HG LEU 25 HG LEU 25 40.887 4.490 11.532 184 HD11 LEU 25 HD11 LEU 25 39.781 6.650 12.109 185 HD12 LEU 25 HD12 LEU 25 41.312 6.420 12.988 186 HD13 LEU 25 HD13 LEU 25 39.759 6.161 13.820 187 HD21 LEU 25 HD21 LEU 25 41.247 2.776 13.162 188 HD22 LEU 25 HD22 LEU 25 40.263 3.612 14.385 189 HD23 LEU 25 HD23 LEU 25 41.856 4.258 13.930 Start of MODEL 59 1 H1 GLY 1 HT1 GLY 1 67.085 21.553 -0.472 2 H2 GLY 1 HT2 GLY 1 65.595 22.060 0.169 3 H3 GLY 1 HT3 GLY 1 66.203 22.773 -1.249 4 HA2 GLY 1 HA1 GLY 1 66.124 20.054 -1.684 5 HA3 GLY 1 HA2 GLY 1 64.579 20.526 -0.950 6 H TRP 2 HN TRP 2 65.107 19.588 -3.665 7 HA TRP 2 HA TRP 2 65.213 21.612 -5.604 8 HB2 TRP 2 HB2 TRP 2 63.299 19.259 -5.781 9 HB3 TRP 2 HB1 TRP 2 64.188 20.067 -7.095 10 HD1 TRP 2 HD1 TRP 2 64.723 17.726 -4.098 11 HE1 TRP 2 HE1 TRP 2 66.959 16.433 -4.400 12 HE3 TRP 2 HE3 TRP 2 66.480 20.114 -8.272 13 HZ2 TRP 2 HZ2 TRP 2 69.189 16.458 -6.221 14 HZ3 TRP 2 HZ3 TRP 2 68.663 19.462 -9.274 15 HH2 TRP 2 HH2 TRP 2 70.018 17.639 -8.254 16 H GLY 3 HN GLY 3 62.121 20.086 -4.624 17 HA2 GLY 3 HA1 GLY 3 60.718 22.305 -3.733 18 HA3 GLY 3 HA2 GLY 3 60.620 22.420 -5.503 19 H SER 4 HN SER 4 60.743 19.477 -5.817 20 HA SER 4 HA SER 4 59.154 17.819 -6.165 21 HB2 SER 4 HB2 SER 4 58.089 16.969 -4.170 22 HB3 SER 4 HB1 SER 4 59.707 17.550 -3.722 23 HG SER 4 HG SER 4 58.818 19.294 -2.766 24 H ILE 5 HN ILE 5 56.640 17.290 -5.588 25 HA ILE 5 HA ILE 5 54.984 19.739 -5.995 26 HB ILE 5 HB ILE 5 54.743 17.368 -7.899 27 HG12 ILE 5 HG12 ILE 5 56.229 20.011 -8.257 28 HG13 ILE 5 HG11 ILE 5 56.933 18.378 -8.295 29 HG21 ILE 5 HG21 ILE 5 52.783 18.968 -7.416 30 HG22 ILE 5 HG22 ILE 5 53.259 18.800 -9.120 31 HG23 ILE 5 HG23 ILE 5 53.759 20.236 -8.194 32 HD11 ILE 5 HD1 ILE 5 55.277 17.920 -10.250 33 HD12 ILE 5 HD2 ILE 5 56.689 18.951 -10.585 34 HD13 ILE 5 HD3 ILE 5 55.092 19.689 -10.321 35 H PHE 6 HN PHE 6 55.381 16.314 -5.304 36 HA PHE 6 HA PHE 6 53.190 16.367 -3.409 37 HB2 PHE 6 HB2 PHE 6 51.807 14.609 -4.558 38 HB3 PHE 6 HB1 PHE 6 51.771 16.193 -5.371 39 HD1 PHE 6 HD1 PHE 6 52.578 16.441 -7.615 40 HD2 PHE 6 HD2 PHE 6 53.373 12.803 -5.431 41 HE1 PHE 6 HE1 PHE 6 53.439 15.379 -9.698 42 HE2 PHE 6 HE2 PHE 6 54.234 11.743 -7.513 43 HZ PHE 6 HZ PHE 6 54.331 13.053 -9.629 44 H LYS 7 HN LYS 7 55.893 15.035 -4.970 45 HA LYS 7 HA LYS 7 55.775 12.356 -3.868 46 HB2 LYS 7 HB2 LYS 7 57.183 13.097 -5.836 47 HB3 LYS 7 HB1 LYS 7 58.242 13.939 -4.680 48 HG2 LYS 7 HG2 LYS 7 58.733 11.839 -3.529 49 HG3 LYS 7 HG1 LYS 7 57.573 10.966 -4.559 50 HD2 LYS 7 HD2 LYS 7 58.915 11.480 -6.554 51 HD3 LYS 7 HD1 LYS 7 60.055 12.426 -5.566 52 HE2 LYS 7 HE2 LYS 7 60.967 10.179 -5.954 53 HE3 LYS 7 HE1 LYS 7 60.558 10.372 -4.232 54 HZ1 LYS 7 HZ1 LYS 7 59.754 8.265 -5.056 55 HZ2 LYS 7 HZ2 LYS 7 58.891 9.029 -6.304 56 HZ3 LYS 7 HZ3 LYS 7 58.434 9.264 -4.684 57 H HIS 8 HN HIS 8 56.547 15.482 -2.605 58 HA HIS 8 HA HIS 8 58.255 14.497 -0.428 59 HB2 HIS 8 HB2 HIS 8 58.427 16.805 -1.393 60 HB3 HIS 8 HB1 HIS 8 56.823 17.167 -0.710 61 HD1 HIS 8 HD1 HIS 8 56.656 17.669 1.780 62 HD2 HIS 8 HD2 HIS 8 60.439 16.220 0.660 63 HE1 HIS 8 HE1 HIS 8 58.212 17.979 3.782 64 H GLY 9 HN GLY 9 56.120 12.880 -0.322 65 HA2 GLY 9 HA1 GLY 9 54.647 12.064 1.273 66 HA3 GLY 9 HA2 GLY 9 55.083 13.425 2.324 67 H ARG 10 HN ARG 10 53.011 12.360 -0.346 68 HA ARG 10 HA ARG 10 50.815 13.975 0.664 69 HB2 ARG 10 HB2 ARG 10 52.327 15.616 -0.673 70 HB3 ARG 10 HB1 ARG 10 51.776 14.740 -2.118 71 HG2 ARG 10 HG2 ARG 10 49.433 15.251 -1.572 72 HG3 ARG 10 HG1 ARG 10 49.934 16.047 -0.061 73 HD2 ARG 10 HD2 ARG 10 51.311 17.649 -1.442 74 HD3 ARG 10 HD1 ARG 10 50.605 16.918 -2.904 75 HE ARG 10 HE ARG 10 48.565 17.792 -1.016 76 HH11 ARG 10 HH11 ARG 10 50.648 18.598 -3.640 77 HH12 ARG 10 HH12 ARG 10 49.773 20.029 -4.071 78 HH21 ARG 10 HH21 ARG 10 47.466 19.713 -1.502 79 HH22 ARG 10 HH22 ARG 10 47.971 20.659 -2.862 80 H HIS 11 HN HIS 11 52.167 11.434 -0.952 81 HA HIS 11 HA HIS 11 49.508 10.422 -1.722 82 HB2 HIS 11 HB2 HIS 11 50.455 11.668 -3.771 83 HB3 HIS 11 HB1 HIS 11 51.720 10.418 -3.809 84 HD1 HIS 11 HD1 HIS 11 50.615 7.815 -3.664 85 HD2 HIS 11 HD2 HIS 11 48.199 10.910 -5.169 86 HE1 HIS 11 HE1 HIS 11 48.756 6.730 -5.040 87 H ALA 12 HN ALA 12 49.285 8.381 -1.765 88 HA ALA 12 HA ALA 12 49.649 6.162 -1.336 89 HB1 ALA 12 HB1 ALA 12 51.815 5.285 -1.501 90 HB2 ALA 12 HB2 ALA 12 52.462 6.871 -1.086 91 HB3 ALA 12 HB3 ALA 12 51.750 6.612 -2.681 92 H ALA 13 HN ALA 13 51.512 8.681 0.272 93 HA ALA 13 HA ALA 13 51.636 7.253 2.827 94 HB1 ALA 13 HB1 ALA 13 52.946 9.356 2.616 95 HB2 ALA 13 HB2 ALA 13 51.591 9.650 3.732 96 HB3 ALA 13 HB3 ALA 13 51.502 10.227 2.050 97 H LYS 14 HN LYS 14 49.897 7.770 0.220 98 HA LYS 14 HA LYS 14 47.147 8.049 1.687 99 HB2 LYS 14 HB2 LYS 14 48.024 9.705 -0.150 100 HB3 LYS 14 HB1 LYS 14 47.884 8.290 -1.255 101 HG2 LYS 14 HG2 LYS 14 45.568 8.474 -1.354 102 HG3 LYS 14 HG1 LYS 14 45.405 8.866 0.369 103 HD2 LYS 14 HD2 LYS 14 44.661 10.790 -0.859 104 HD3 LYS 14 HD1 LYS 14 46.257 11.212 -0.198 105 HE2 LYS 14 HE2 LYS 14 47.252 10.452 -2.423 106 HE3 LYS 14 HE1 LYS 14 45.588 10.343 -3.040 107 HZ1 LYS 14 HZ1 LYS 14 45.513 12.762 -1.991 108 HZ2 LYS 14 HZ2 LYS 14 46.030 12.481 -3.584 109 HZ3 LYS 14 HZ3 LYS 14 47.171 12.701 -2.344 110 H HIS 15 HN HIS 15 45.540 7.168 -0.209 111 HA HIS 15 HA HIS 15 44.512 5.129 -0.714 112 HB2 HIS 15 HB2 HIS 15 47.045 5.184 -2.389 113 HB3 HIS 15 HB1 HIS 15 45.693 4.066 -2.680 114 HD1 HIS 15 HD1 HIS 15 46.924 7.319 -3.659 115 HD2 HIS 15 HD2 HIS 15 43.127 5.616 -3.071 116 HE1 HIS 15 HE1 HIS 15 45.224 8.827 -4.826 117 H ILE 16 HN ILE 16 46.592 5.003 1.537 118 HA ILE 16 HA ILE 16 46.367 2.435 2.247 119 HB ILE 16 HB ILE 16 47.595 1.510 0.398 120 HG12 ILE 16 HG12 ILE 16 49.650 1.758 2.634 121 HG13 ILE 16 HG11 ILE 16 48.250 0.669 2.696 122 HG21 ILE 16 HG21 ILE 16 49.573 3.753 0.968 123 HG22 ILE 16 HG22 ILE 16 48.673 3.501 -0.538 124 HG23 ILE 16 HG23 ILE 16 49.976 2.389 -0.078 125 HD11 ILE 16 HD1 ILE 16 49.837 -0.804 1.833 126 HD12 ILE 16 HD2 ILE 16 50.743 0.480 1.008 127 HD13 ILE 16 HD3 ILE 16 49.227 -0.133 0.304 128 H GLY 17 HN GLY 17 48.392 5.043 1.998 129 HA2 GLY 17 HA1 GLY 17 49.372 4.707 4.779 130 HA3 GLY 17 HA2 GLY 17 49.766 6.038 3.675 131 H HIS 18 HN HIS 18 46.710 5.665 2.908 132 HA HIS 18 HA HIS 18 45.756 7.656 4.973 133 HB2 HIS 18 HB2 HIS 18 45.100 7.043 2.120 134 HB3 HIS 18 HB1 HIS 18 43.687 7.400 3.128 135 HD1 HIS 18 HD1 HIS 18 43.349 9.674 1.857 136 HD2 HIS 18 HD2 HIS 18 47.005 9.365 3.913 137 HE1 HIS 18 HE1 HIS 18 44.338 12.024 2.014 138 H ALA 19 HN ALA 19 45.137 4.336 3.716 139 HA ALA 19 HA ALA 19 43.488 3.919 6.191 140 HB1 ALA 19 HB1 ALA 19 41.949 4.779 4.407 141 HB2 ALA 19 HB2 ALA 19 41.523 3.180 5.056 142 HB3 ALA 19 HB3 ALA 19 42.308 3.317 3.464 143 H ALA 20 HN ALA 20 46.038 2.886 4.890 144 HA ALA 20 HA ALA 20 47.090 0.819 4.709 145 HB1 ALA 20 HB1 ALA 20 46.098 0.698 7.030 146 HB2 ALA 20 HB2 ALA 20 46.429 -0.870 6.254 147 HB3 ALA 20 HB3 ALA 20 44.764 -0.246 6.325 148 H VAL 21 HN VAL 21 44.175 1.443 3.234 149 HA VAL 21 HA VAL 21 44.476 -0.922 1.477 150 HB VAL 21 HB VAL 21 41.809 -0.326 2.843 151 HG11 VAL 21 HG11 VAL 21 42.724 -2.391 0.794 152 HG12 VAL 21 HG12 VAL 21 41.479 -1.136 0.583 153 HG13 VAL 21 HG13 VAL 21 41.185 -2.504 1.678 154 HG21 VAL 21 HG21 VAL 21 43.256 -1.423 4.454 155 HG22 VAL 21 HG22 VAL 21 43.837 -2.575 3.227 156 HG23 VAL 21 HG23 VAL 21 42.158 -2.658 3.806 157 H ASN 22 HN ASN 22 43.115 2.250 2.257 158 HA ASN 22 HA ASN 22 43.273 3.180 -0.414 159 HB2 ASN 22 HB2 ASN 22 40.649 3.270 -0.789 160 HB3 ASN 22 HB1 ASN 22 41.559 1.814 -1.241 161 HD21 ASN 22 HD21 ASN 22 41.250 2.442 2.202 162 HD22 ASN 22 HD22 ASN 22 40.010 1.220 2.506 163 H HIS 23 HN HIS 23 40.290 3.593 1.446 164 HA HIS 23 HA HIS 23 41.260 6.157 2.634 165 HB2 HIS 23 HB2 HIS 23 38.944 5.912 0.678 166 HB3 HIS 23 HB1 HIS 23 39.211 7.317 1.736 167 HD1 HIS 23 HD1 HIS 23 39.736 6.438 -1.617 168 HD2 HIS 23 HD2 HIS 23 42.192 8.174 1.316 169 HE1 HIS 23 HE1 HIS 23 41.664 7.596 -2.826 170 H TYR 24 HN TYR 24 40.576 6.310 4.655 171 HA TYR 24 HA TYR 24 38.638 4.396 5.697 172 HB2 TYR 24 HB2 TYR 24 40.558 5.276 7.030 173 HB3 TYR 24 HB1 TYR 24 39.809 6.890 7.001 174 HD1 TYR 24 HD1 TYR 24 37.942 7.428 8.431 175 HD2 TYR 24 HD2 TYR 24 39.364 3.362 8.145 176 HE1 TYR 24 HE1 TYR 24 36.517 6.792 10.374 177 HE2 TYR 24 HE2 TYR 24 37.940 2.727 10.089 178 HH TYR 24 HH TYR 24 35.586 4.010 11.227 179 H LEU 25 HN LEU 25 38.364 7.149 3.871 180 HA LEU 25 HA LEU 25 36.050 8.355 5.222 181 HB2 LEU 25 HB2 LEU 25 36.840 8.749 2.317 182 HB3 LEU 25 HB1 LEU 25 36.010 9.884 3.408 183 HG LEU 25 HG LEU 25 38.911 8.958 3.591 184 HD11 LEU 25 HD11 LEU 25 39.443 11.265 3.086 185 HD12 LEU 25 HD12 LEU 25 37.732 11.744 3.209 186 HD13 LEU 25 HD13 LEU 25 38.274 10.711 1.864 187 HD21 LEU 25 HD21 LEU 25 38.947 10.729 5.476 188 HD22 LEU 25 HD22 LEU 25 38.167 9.178 5.858 189 HD23 LEU 25 HD23 LEU 25 37.172 10.604 5.474 Start of MODEL 60 1 H1 GLY 1 HT1 GLY 1 66.940 14.594 -9.127 2 H2 GLY 1 HT2 GLY 1 67.637 15.177 -10.562 3 H3 GLY 1 HT3 GLY 1 66.000 15.485 -10.221 4 HA2 GLY 1 HA1 GLY 1 68.380 16.797 -9.302 5 HA3 GLY 1 HA2 GLY 1 66.740 17.430 -9.544 6 H TRP 2 HN TRP 2 65.243 17.384 -7.888 7 HA TRP 2 HA TRP 2 66.242 17.619 -5.253 8 HB2 TRP 2 HB2 TRP 2 63.434 16.924 -6.203 9 HB3 TRP 2 HB1 TRP 2 63.854 17.448 -4.555 10 HD1 TRP 2 HD1 TRP 2 63.290 18.717 -8.059 11 HE1 TRP 2 HE1 TRP 2 63.462 21.311 -8.125 12 HE3 TRP 2 HE3 TRP 2 65.137 19.522 -3.354 13 HZ2 TRP 2 HZ2 TRP 2 64.295 23.422 -6.353 14 HZ3 TRP 2 HZ3 TRP 2 65.614 21.833 -2.562 15 HH2 TRP 2 HH2 TRP 2 65.194 23.782 -4.056 16 H GLY 3 HN GLY 3 63.690 15.231 -5.680 17 HA2 GLY 3 HA1 GLY 3 64.953 12.802 -5.530 18 HA3 GLY 3 HA2 GLY 3 65.089 13.404 -3.864 19 H SER 4 HN SER 4 62.421 14.905 -4.768 20 HA SER 4 HA SER 4 60.483 12.733 -4.844 21 HB2 SER 4 HB2 SER 4 60.666 14.319 -2.256 22 HB3 SER 4 HB1 SER 4 59.522 13.015 -2.641 23 HG SER 4 HG SER 4 61.336 11.616 -2.814 24 H ILE 5 HN ILE 5 59.381 13.747 -6.444 25 HA ILE 5 HA ILE 5 58.897 16.599 -6.445 26 HB ILE 5 HB ILE 5 57.263 14.512 -7.946 27 HG12 ILE 5 HG12 ILE 5 59.999 15.695 -8.616 28 HG13 ILE 5 HG11 ILE 5 59.640 13.987 -8.273 29 HG21 ILE 5 HG21 ILE 5 58.149 17.300 -8.799 30 HG22 ILE 5 HG22 ILE 5 56.631 17.010 -7.915 31 HG23 ILE 5 HG23 ILE 5 56.878 16.282 -9.517 32 HD11 ILE 5 HD1 ILE 5 59.704 14.095 -10.642 33 HD12 ILE 5 HD2 ILE 5 58.829 15.642 -10.686 34 HD13 ILE 5 HD3 ILE 5 57.967 14.142 -10.263 35 H PHE 6 HN PHE 6 58.128 16.740 -4.180 36 HA PHE 6 HA PHE 6 56.414 16.979 -2.637 37 HB2 PHE 6 HB2 PHE 6 54.856 17.233 -5.237 38 HB3 PHE 6 HB1 PHE 6 54.152 17.556 -3.635 39 HD1 PHE 6 HD1 PHE 6 54.614 19.603 -2.468 40 HD2 PHE 6 HD2 PHE 6 56.868 18.576 -6.003 41 HE1 PHE 6 HE1 PHE 6 55.607 21.888 -2.500 42 HE2 PHE 6 HE2 PHE 6 57.859 20.862 -6.035 43 HZ PHE 6 HZ PHE 6 57.287 22.491 -4.239 44 H LYS 7 HN LYS 7 57.115 14.238 -3.647 45 HA LYS 7 HA LYS 7 54.620 12.731 -3.687 46 HB2 LYS 7 HB2 LYS 7 57.513 11.898 -3.236 47 HB3 LYS 7 HB1 LYS 7 56.159 10.757 -3.387 48 HG2 LYS 7 HG2 LYS 7 56.634 12.856 -5.541 49 HG3 LYS 7 HG1 LYS 7 57.594 11.362 -5.527 50 HD2 LYS 7 HD2 LYS 7 55.422 10.051 -5.488 51 HD3 LYS 7 HD1 LYS 7 54.557 11.588 -5.726 52 HE2 LYS 7 HE2 LYS 7 56.514 10.218 -7.597 53 HE3 LYS 7 HE1 LYS 7 54.833 10.706 -7.916 54 HZ1 LYS 7 HZ1 LYS 7 55.591 13.045 -7.567 55 HZ2 LYS 7 HZ2 LYS 7 56.253 12.290 -8.938 56 HZ3 LYS 7 HZ3 LYS 7 57.190 12.479 -7.533 57 H HIS 8 HN HIS 8 57.330 12.771 -1.326 58 HA HIS 8 HA HIS 8 55.626 11.629 0.757 59 HB2 HIS 8 HB2 HIS 8 57.625 11.987 2.197 60 HB3 HIS 8 HB1 HIS 8 58.025 11.134 0.686 61 HD1 HIS 8 HD1 HIS 8 57.324 14.666 0.032 62 HD2 HIS 8 HD2 HIS 8 60.674 12.463 1.305 63 HE1 HIS 8 HE1 HIS 8 59.388 16.116 -0.374 64 H GLY 9 HN GLY 9 54.005 13.496 0.308 65 HA2 GLY 9 HA1 GLY 9 54.158 15.259 2.597 66 HA3 GLY 9 HA2 GLY 9 54.459 16.142 1.088 67 H ARG 10 HN ARG 10 52.676 14.175 -0.374 68 HA ARG 10 HA ARG 10 50.008 14.704 0.784 69 HB2 ARG 10 HB2 ARG 10 49.253 15.864 -1.345 70 HB3 ARG 10 HB1 ARG 10 50.324 16.830 -0.302 71 HG2 ARG 10 HG2 ARG 10 52.233 16.395 -1.704 72 HG3 ARG 10 HG1 ARG 10 51.355 15.150 -2.624 73 HD2 ARG 10 HD2 ARG 10 51.570 17.450 -3.749 74 HD3 ARG 10 HD1 ARG 10 49.927 16.773 -3.653 75 HE ARG 10 HE ARG 10 50.382 18.381 -1.334 76 HH11 ARG 10 HH11 ARG 10 48.058 19.334 -2.014 77 HH12 ARG 10 HH12 ARG 10 48.244 20.600 -3.179 78 HH21 ARG 10 HH21 ARG 10 51.485 19.707 -4.028 79 HH22 ARG 10 HH22 ARG 10 50.184 20.813 -4.319 80 H HIS 11 HN HIS 11 51.794 12.452 -0.075 81 HA HIS 11 HA HIS 11 49.705 10.921 -1.401 82 HB2 HIS 11 HB2 HIS 11 50.788 12.135 -3.349 83 HB3 HIS 11 HB1 HIS 11 52.303 11.296 -2.940 84 HD1 HIS 11 HD1 HIS 11 52.230 8.603 -3.013 85 HD2 HIS 11 HD2 HIS 11 49.029 10.604 -4.864 86 HE1 HIS 11 HE1 HIS 11 51.019 6.904 -4.487 87 H ALA 12 HN ALA 12 49.911 8.865 -1.360 88 HA ALA 12 HA ALA 12 50.548 6.796 -0.648 89 HB1 ALA 12 HB1 ALA 12 52.794 7.612 -1.492 90 HB2 ALA 12 HB2 ALA 12 52.810 6.362 -0.222 91 HB3 ALA 12 HB3 ALA 12 53.030 8.065 0.186 92 H ALA 13 HN ALA 13 51.468 9.677 1.168 93 HA ALA 13 HA ALA 13 51.229 8.361 3.775 94 HB1 ALA 13 HB1 ALA 13 52.129 10.766 3.457 95 HB2 ALA 13 HB2 ALA 13 50.767 10.637 4.597 96 HB3 ALA 13 HB3 ALA 13 50.490 11.226 2.940 97 H LYS 14 HN LYS 14 50.109 8.480 0.800 98 HA LYS 14 HA LYS 14 47.082 8.248 1.561 99 HB2 LYS 14 HB2 LYS 14 48.074 9.991 -0.122 100 HB3 LYS 14 HB1 LYS 14 48.461 8.547 -1.131 101 HG2 LYS 14 HG2 LYS 14 46.238 8.293 -1.775 102 HG3 LYS 14 HG1 LYS 14 45.598 8.704 -0.168 103 HD2 LYS 14 HD2 LYS 14 46.040 11.114 -0.635 104 HD3 LYS 14 HD1 LYS 14 46.622 10.676 -2.260 105 HE2 LYS 14 HE2 LYS 14 44.391 9.609 -2.716 106 HE3 LYS 14 HE1 LYS 14 43.822 10.212 -1.140 107 HZ1 LYS 14 HZ1 LYS 14 44.793 12.450 -2.150 108 HZ2 LYS 14 HZ2 LYS 14 43.195 11.945 -2.431 109 HZ3 LYS 14 HZ3 LYS 14 44.393 11.677 -3.606 110 H HIS 15 HN HIS 15 46.173 7.024 -0.594 111 HA HIS 15 HA HIS 15 45.680 4.807 -1.175 112 HB2 HIS 15 HB2 HIS 15 48.494 5.273 -2.226 113 HB3 HIS 15 HB1 HIS 15 47.419 3.961 -2.766 114 HD1 HIS 15 HD1 HIS 15 44.862 6.097 -2.341 115 HD2 HIS 15 HD2 HIS 15 48.165 6.357 -4.933 116 HE1 HIS 15 HE1 HIS 15 44.215 7.677 -4.244 117 H ILE 16 HN ILE 16 47.178 5.165 1.465 118 HA ILE 16 HA ILE 16 47.223 2.617 2.289 119 HB ILE 16 HB ILE 16 49.024 1.882 0.918 120 HG12 ILE 16 HG12 ILE 16 50.389 2.652 3.530 121 HG13 ILE 16 HG11 ILE 16 49.184 1.352 3.423 122 HG21 ILE 16 HG21 ILE 16 51.237 3.189 0.926 123 HG22 ILE 16 HG22 ILE 16 50.367 4.488 1.743 124 HG23 ILE 16 HG23 ILE 16 49.904 4.019 0.098 125 HD11 ILE 16 HD1 ILE 16 51.171 0.138 3.148 126 HD12 ILE 16 HD2 ILE 16 51.991 1.457 2.290 127 HD13 ILE 16 HD3 ILE 16 50.770 0.473 1.449 128 H GLY 17 HN GLY 17 48.877 5.485 2.402 129 HA2 GLY 17 HA1 GLY 17 49.105 5.440 5.336 130 HA3 GLY 17 HA2 GLY 17 49.471 6.813 4.272 131 H HIS 18 HN HIS 18 46.834 5.864 2.833 132 HA HIS 18 HA HIS 18 45.042 7.609 4.522 133 HB2 HIS 18 HB2 HIS 18 45.208 6.828 1.634 134 HB3 HIS 18 HB1 HIS 18 43.558 6.934 2.278 135 HD1 HIS 18 HD1 HIS 18 43.162 9.066 0.770 136 HD2 HIS 18 HD2 HIS 18 46.160 9.513 3.685 137 HE1 HIS 18 HE1 HIS 18 43.636 11.565 0.999 138 H ALA 19 HN ALA 19 45.204 4.327 3.029 139 HA ALA 19 HA ALA 19 44.122 2.883 5.132 140 HB1 ALA 19 HB1 ALA 19 41.957 4.341 3.615 141 HB2 ALA 19 HB2 ALA 19 42.055 3.952 5.351 142 HB3 ALA 19 HB3 ALA 19 41.625 2.686 4.183 143 H ALA 20 HN ALA 20 45.431 3.111 2.268 144 HA ALA 20 HA ALA 20 45.859 1.623 0.539 145 HB1 ALA 20 HB1 ALA 20 44.625 -0.514 2.304 146 HB2 ALA 20 HB2 ALA 20 46.262 0.134 2.571 147 HB3 ALA 20 HB3 ALA 20 45.873 -0.707 1.050 148 H VAL 21 HN VAL 21 43.011 2.720 1.344 149 HA VAL 21 HA VAL 21 41.641 1.502 -1.007 150 HB VAL 21 HB VAL 21 40.399 1.667 1.781 151 HG11 VAL 21 HG11 VAL 21 39.282 1.042 -0.979 152 HG12 VAL 21 HG12 VAL 21 38.648 2.157 0.254 153 HG13 VAL 21 HG13 VAL 21 38.505 0.404 0.490 154 HG21 VAL 21 HG21 VAL 21 41.891 -0.257 1.599 155 HG22 VAL 21 HG22 VAL 21 41.203 -0.692 0.018 156 HG23 VAL 21 HG23 VAL 21 40.216 -0.838 1.492 157 H ASN 22 HN ASN 22 42.557 4.037 0.992 158 HA ASN 22 HA ASN 22 42.388 6.329 0.314 159 HB2 ASN 22 HB2 ASN 22 40.899 5.685 -1.688 160 HB3 ASN 22 HB1 ASN 22 39.517 5.866 -0.576 161 HD21 ASN 22 HD21 ASN 22 39.088 7.668 -2.346 162 HD22 ASN 22 HD22 ASN 22 39.762 9.257 -1.967 163 H HIS 23 HN HIS 23 39.788 4.436 1.769 164 HA HIS 23 HA HIS 23 39.901 6.100 4.182 165 HB2 HIS 23 HB2 HIS 23 37.440 6.119 2.390 166 HB3 HIS 23 HB1 HIS 23 37.403 6.580 4.109 167 HD1 HIS 23 HD1 HIS 23 39.366 8.488 4.744 168 HD2 HIS 23 HD2 HIS 23 38.079 8.244 0.748 169 HE1 HIS 23 HE1 HIS 23 39.965 10.700 3.615 170 H TYR 24 HN TYR 24 40.174 4.434 5.547 171 HA TYR 24 HA TYR 24 39.089 1.822 5.184 172 HB2 TYR 24 HB2 TYR 24 40.969 2.343 6.710 173 HB3 TYR 24 HB1 TYR 24 39.850 3.222 7.780 174 HD1 TYR 24 HD1 TYR 24 38.196 2.035 9.136 175 HD2 TYR 24 HD2 TYR 24 40.844 -0.108 6.485 176 HE1 TYR 24 HE1 TYR 24 37.572 -0.109 10.245 177 HE2 TYR 24 HE2 TYR 24 40.222 -2.250 7.594 178 HH TYR 24 HH TYR 24 38.943 -3.222 9.171 179 H LEU 25 HN LEU 25 37.589 4.763 6.086 180 HA LEU 25 HA LEU 25 35.527 3.695 7.814 181 HB2 LEU 25 HB2 LEU 25 35.810 6.215 6.143 182 HB3 LEU 25 HB1 LEU 25 34.314 5.864 7.039 183 HG LEU 25 HG LEU 25 35.550 5.754 9.148 184 HD11 LEU 25 HD11 LEU 25 37.662 4.821 8.564 185 HD12 LEU 25 HD12 LEU 25 38.040 6.489 9.053 186 HD13 LEU 25 HD13 LEU 25 37.968 6.063 7.326 187 HD21 LEU 25 HD21 LEU 25 36.367 8.200 7.513 188 HD22 LEU 25 HD22 LEU 25 36.269 8.110 9.289 189 HD23 LEU 25 HD23 LEU 25 34.790 7.974 8.307 Start of MODEL 61 1 H1 GLY 1 HT1 GLY 1 64.634 14.246 -7.045 2 H2 GLY 1 HT2 GLY 1 64.230 15.477 -5.946 3 H3 GLY 1 HT3 GLY 1 64.503 13.893 -5.393 4 HA2 GLY 1 HA1 GLY 1 66.795 14.160 -6.415 5 HA3 GLY 1 HA2 GLY 1 66.408 15.891 -6.355 6 H TRP 2 HN TRP 2 65.155 16.350 -4.083 7 HA TRP 2 HA TRP 2 67.259 16.025 -2.109 8 HB2 TRP 2 HB2 TRP 2 64.398 17.002 -1.750 9 HB3 TRP 2 HB1 TRP 2 65.756 17.260 -0.627 10 HD1 TRP 2 HD1 TRP 2 64.492 18.274 -4.106 11 HE1 TRP 2 HE1 TRP 2 65.705 20.444 -4.870 12 HE3 TRP 2 HE3 TRP 2 67.884 18.688 -0.294 13 HZ2 TRP 2 HZ2 TRP 2 67.857 22.109 -3.928 14 HZ3 TRP 2 HZ3 TRP 2 69.507 20.574 -0.246 15 HH2 TRP 2 HH2 TRP 2 69.497 22.284 -2.059 16 H GLY 3 HN GLY 3 63.786 15.137 -1.890 17 HA2 GLY 3 HA1 GLY 3 64.076 12.416 -1.337 18 HA3 GLY 3 HA2 GLY 3 64.304 13.230 0.225 19 H SER 4 HN SER 4 62.401 15.287 -1.444 20 HA SER 4 HA SER 4 60.158 15.833 -1.227 21 HB2 SER 4 HB2 SER 4 59.657 12.850 -1.510 22 HB3 SER 4 HB1 SER 4 58.578 14.186 -1.970 23 HG SER 4 HG SER 4 61.159 14.155 -3.049 24 H ILE 5 HN ILE 5 60.681 16.356 1.056 25 HA ILE 5 HA ILE 5 60.142 14.502 3.174 26 HB ILE 5 HB ILE 5 59.701 17.514 3.330 27 HG12 ILE 5 HG12 ILE 5 62.303 15.919 3.441 28 HG13 ILE 5 HG11 ILE 5 61.855 17.130 2.218 29 HG21 ILE 5 HG21 ILE 5 59.104 15.929 5.269 30 HG22 ILE 5 HG22 ILE 5 60.242 17.240 5.652 31 HG23 ILE 5 HG23 ILE 5 60.844 15.585 5.393 32 HD11 ILE 5 HD1 ILE 5 63.251 18.326 3.718 33 HD12 ILE 5 HD2 ILE 5 62.527 17.557 5.148 34 HD13 ILE 5 HD3 ILE 5 61.606 18.774 4.228 35 H PHE 6 HN PHE 6 58.094 16.488 1.132 36 HA PHE 6 HA PHE 6 55.732 16.250 2.845 37 HB2 PHE 6 HB2 PHE 6 56.120 17.090 -0.054 38 HB3 PHE 6 HB1 PHE 6 54.552 17.119 0.789 39 HD1 PHE 6 HD1 PHE 6 57.801 18.768 0.379 40 HD2 PHE 6 HD2 PHE 6 54.246 18.571 2.819 41 HE1 PHE 6 HE1 PHE 6 58.377 20.968 1.397 42 HE2 PHE 6 HE2 PHE 6 54.823 20.771 3.838 43 HZ PHE 6 HZ PHE 6 56.936 21.922 3.193 44 H LYS 7 HN LYS 7 57.201 13.763 2.029 45 HA LYS 7 HA LYS 7 56.684 11.625 1.300 46 HB2 LYS 7 HB2 LYS 7 53.925 12.688 1.999 47 HB3 LYS 7 HB1 LYS 7 54.220 10.997 1.533 48 HG2 LYS 7 HG2 LYS 7 55.794 10.714 3.386 49 HG3 LYS 7 HG1 LYS 7 55.637 12.433 3.819 50 HD2 LYS 7 HD2 LYS 7 53.340 12.158 4.468 51 HD3 LYS 7 HD1 LYS 7 53.261 10.530 3.750 52 HE2 LYS 7 HE2 LYS 7 53.539 10.646 6.310 53 HE3 LYS 7 HE1 LYS 7 54.684 9.605 5.431 54 HZ1 LYS 7 HZ1 LYS 7 55.789 11.039 7.060 55 HZ2 LYS 7 HZ2 LYS 7 55.207 12.419 6.256 56 HZ3 LYS 7 HZ3 LYS 7 56.304 11.379 5.480 57 H HIS 8 HN HIS 8 57.483 12.276 -0.826 58 HA HIS 8 HA HIS 8 57.277 12.474 -3.130 59 HB2 HIS 8 HB2 HIS 8 56.450 10.126 -2.639 60 HB3 HIS 8 HB1 HIS 8 54.793 10.767 -2.740 61 HD1 HIS 8 HD1 HIS 8 53.853 11.375 -5.055 62 HD2 HIS 8 HD2 HIS 8 57.862 10.103 -5.140 63 HE1 HIS 8 HE1 HIS 8 54.492 11.033 -7.505 64 H GLY 9 HN GLY 9 55.488 14.236 -1.235 65 HA2 GLY 9 HA1 GLY 9 54.286 16.169 -1.729 66 HA3 GLY 9 HA2 GLY 9 54.279 15.723 -3.445 67 H ARG 10 HN ARG 10 52.823 14.891 -0.283 68 HA ARG 10 HA ARG 10 50.697 14.154 0.244 69 HB2 ARG 10 HB2 ARG 10 50.138 15.812 -2.241 70 HB3 ARG 10 HB1 ARG 10 48.836 15.041 -1.308 71 HG2 ARG 10 HG2 ARG 10 49.158 17.353 -0.544 72 HG3 ARG 10 HG1 ARG 10 49.628 16.218 0.741 73 HD2 ARG 10 HD2 ARG 10 51.936 16.625 0.427 74 HD3 ARG 10 HD1 ARG 10 51.699 17.279 -1.213 75 HE ARG 10 HE ARG 10 50.320 18.941 0.672 76 HH11 ARG 10 HH11 ARG 10 52.726 19.142 -1.495 77 HH12 ARG 10 HH12 ARG 10 53.795 20.136 -0.563 78 HH21 ARG 10 HH21 ARG 10 52.017 19.741 2.388 79 HH22 ARG 10 HH22 ARG 10 53.395 20.475 1.635 80 H HIS 11 HN HIS 11 52.249 12.213 -0.933 81 HA HIS 11 HA HIS 11 50.134 10.510 -2.065 82 HB2 HIS 11 HB2 HIS 11 52.647 11.162 -3.663 83 HB3 HIS 11 HB1 HIS 11 51.537 9.820 -4.031 84 HD1 HIS 11 HD1 HIS 11 48.802 10.932 -3.845 85 HD2 HIS 11 HD2 HIS 11 51.985 13.233 -5.353 86 HE1 HIS 11 HE1 HIS 11 47.788 12.785 -5.282 87 H ALA 12 HN ALA 12 50.216 9.355 -0.406 88 HA ALA 12 HA ALA 12 51.197 7.025 0.079 89 HB1 ALA 12 HB1 ALA 12 53.334 7.360 1.359 90 HB2 ALA 12 HB2 ALA 12 53.253 9.010 0.729 91 HB3 ALA 12 HB3 ALA 12 53.486 7.645 -0.385 92 H ALA 13 HN ALA 13 51.343 10.329 1.137 93 HA ALA 13 HA ALA 13 50.552 9.756 3.920 94 HB1 ALA 13 HB1 ALA 13 49.469 12.073 3.668 95 HB2 ALA 13 HB2 ALA 13 50.110 12.127 2.009 96 HB3 ALA 13 HB3 ALA 13 51.226 12.085 3.396 97 H LYS 14 HN LYS 14 50.240 8.934 0.844 98 HA LYS 14 HA LYS 14 47.170 8.389 0.935 99 HB2 LYS 14 HB2 LYS 14 48.366 9.810 -0.890 100 HB3 LYS 14 HB1 LYS 14 49.182 8.265 -1.350 101 HG2 LYS 14 HG2 LYS 14 47.250 7.463 -2.382 102 HG3 LYS 14 HG1 LYS 14 46.160 8.140 -1.150 103 HD2 LYS 14 HD2 LYS 14 46.396 10.382 -2.167 104 HD3 LYS 14 HD1 LYS 14 47.518 9.720 -3.380 105 HE2 LYS 14 HE2 LYS 14 45.661 8.096 -4.042 106 HE3 LYS 14 HE1 LYS 14 44.570 9.056 -3.015 107 HZ1 LYS 14 HZ1 LYS 14 45.528 11.024 -4.374 108 HZ2 LYS 14 HZ2 LYS 14 44.323 10.045 -5.063 109 HZ3 LYS 14 HZ3 LYS 14 45.949 9.833 -5.504 110 H HIS 15 HN HIS 15 47.004 6.544 -0.949 111 HA HIS 15 HA HIS 15 46.894 4.203 -0.977 112 HB2 HIS 15 HB2 HIS 15 49.820 4.870 -1.460 113 HB3 HIS 15 HB1 HIS 15 49.085 3.288 -1.811 114 HD1 HIS 15 HD1 HIS 15 46.705 3.572 -3.328 115 HD2 HIS 15 HD2 HIS 15 49.717 6.485 -3.689 116 HE1 HIS 15 HE1 HIS 15 46.285 4.834 -5.509 117 H ILE 16 HN ILE 16 47.579 5.435 1.725 118 HA ILE 16 HA ILE 16 47.649 3.219 3.222 119 HB ILE 16 HB ILE 16 49.814 2.464 2.567 120 HG12 ILE 16 HG12 ILE 16 50.536 4.035 5.066 121 HG13 ILE 16 HG11 ILE 16 49.298 2.763 5.149 122 HG21 ILE 16 HG21 ILE 16 50.674 4.447 1.405 123 HG22 ILE 16 HG22 ILE 16 51.812 4.079 2.715 124 HG23 ILE 16 HG23 ILE 16 50.634 5.376 2.913 125 HD11 ILE 16 HD1 ILE 16 50.988 1.169 4.110 126 HD12 ILE 16 HD2 ILE 16 51.409 1.750 5.736 127 HD13 ILE 16 HD3 ILE 16 52.214 2.442 4.312 128 H GLY 17 HN GLY 17 48.935 6.256 2.901 129 HA2 GLY 17 HA1 GLY 17 48.394 6.971 5.703 130 HA3 GLY 17 HA2 GLY 17 48.888 8.081 4.408 131 H HIS 18 HN HIS 18 46.819 6.392 2.738 132 HA HIS 18 HA HIS 18 44.488 8.179 3.444 133 HB2 HIS 18 HB2 HIS 18 45.462 6.769 0.981 134 HB3 HIS 18 HB1 HIS 18 43.699 6.797 1.186 135 HD1 HIS 18 HD1 HIS 18 45.784 9.654 2.512 136 HD2 HIS 18 HD2 HIS 18 43.327 8.801 -0.793 137 HE1 HIS 18 HE1 HIS 18 45.396 11.849 1.265 138 H ALA 19 HN ALA 19 45.359 4.707 2.961 139 HA ALA 19 HA ALA 19 43.883 3.654 5.067 140 HB1 ALA 19 HB1 ALA 19 41.742 4.379 4.462 141 HB2 ALA 19 HB2 ALA 19 41.787 2.812 3.630 142 HB3 ALA 19 HB3 ALA 19 42.099 4.310 2.720 143 H ALA 20 HN ALA 20 45.876 3.408 2.585 144 HA ALA 20 HA ALA 20 46.892 1.628 1.486 145 HB1 ALA 20 HB1 ALA 20 45.522 -0.178 3.503 146 HB2 ALA 20 HB2 ALA 20 46.955 0.799 3.900 147 HB3 ALA 20 HB3 ALA 20 47.052 -0.454 2.640 148 H VAL 21 HN VAL 21 43.861 2.392 1.331 149 HA VAL 21 HA VAL 21 43.210 0.401 -0.785 150 HB VAL 21 HB VAL 21 41.404 1.064 1.588 151 HG11 VAL 21 HG11 VAL 21 40.855 -0.254 -1.097 152 HG12 VAL 21 HG12 VAL 21 39.923 1.012 -0.263 153 HG13 VAL 21 HG13 VAL 21 39.873 -0.660 0.330 154 HG21 VAL 21 HG21 VAL 21 43.032 -0.686 2.107 155 HG22 VAL 21 HG22 VAL 21 42.665 -1.531 0.586 156 HG23 VAL 21 HG23 VAL 21 41.443 -1.446 1.878 157 H ASN 22 HN ASN 22 43.423 3.456 0.535 158 HA ASN 22 HA ASN 22 43.193 5.475 -0.707 159 HB2 ASN 22 HB2 ASN 22 40.774 4.327 -2.141 160 HB3 ASN 22 HB1 ASN 22 41.690 5.797 -2.528 161 HD21 ASN 22 HD21 ASN 22 41.201 2.948 -3.914 162 HD22 ASN 22 HD22 ASN 22 42.828 2.557 -4.480 163 H HIS 23 HN HIS 23 40.481 3.568 0.487 164 HA HIS 23 HA HIS 23 39.788 5.564 2.444 165 HB2 HIS 23 HB2 HIS 23 37.493 6.095 1.508 166 HB3 HIS 23 HB1 HIS 23 38.850 6.844 0.634 167 HD1 HIS 23 HD1 HIS 23 39.480 5.882 -1.716 168 HD2 HIS 23 HD2 HIS 23 36.050 4.174 0.018 169 HE1 HIS 23 HE1 HIS 23 38.294 4.537 -3.537 170 H TYR 24 HN TYR 24 39.621 3.997 3.953 171 HA TYR 24 HA TYR 24 38.427 1.432 3.516 172 HB2 TYR 24 HB2 TYR 24 39.953 1.895 5.387 173 HB3 TYR 24 HB1 TYR 24 38.766 3.019 6.094 174 HD1 TYR 24 HD1 TYR 24 39.501 -0.544 5.317 175 HD2 TYR 24 HD2 TYR 24 36.763 2.204 7.211 176 HE1 TYR 24 HE1 TYR 24 38.374 -2.452 6.458 177 HE2 TYR 24 HE2 TYR 24 35.636 0.296 8.350 178 HH TYR 24 HH TYR 24 35.866 -1.945 8.883 179 H LEU 25 HN LEU 25 37.019 4.508 3.668 180 HA LEU 25 HA LEU 25 34.538 3.774 5.000 181 HB2 LEU 25 HB2 LEU 25 35.411 6.087 3.240 182 HB3 LEU 25 HB1 LEU 25 33.733 5.935 3.794 183 HG LEU 25 HG LEU 25 35.280 7.405 5.218 184 HD11 LEU 25 HD11 LEU 25 34.149 5.100 6.850 185 HD12 LEU 25 HD12 LEU 25 33.088 6.241 5.997 186 HD13 LEU 25 HD13 LEU 25 34.205 6.830 7.245 187 HD21 LEU 25 HD21 LEU 25 36.867 6.361 6.700 188 HD22 LEU 25 HD22 LEU 25 37.231 5.785 5.058 189 HD23 LEU 25 HD23 LEU 25 36.366 4.729 6.200 Start of MODEL 62 1 H1 GLY 1 HT1 GLY 1 61.454 22.216 -11.368 2 H2 GLY 1 HT2 GLY 1 61.963 20.674 -10.867 3 H3 GLY 1 HT3 GLY 1 63.075 21.760 -11.555 4 HA2 GLY 1 HA1 GLY 1 63.312 22.960 -9.717 5 HA3 GLY 1 HA2 GLY 1 61.636 22.660 -9.217 6 H TRP 2 HN TRP 2 61.761 21.814 -7.236 7 HA TRP 2 HA TRP 2 63.886 20.264 -6.206 8 HB2 TRP 2 HB2 TRP 2 60.934 20.106 -5.476 9 HB3 TRP 2 HB1 TRP 2 62.294 19.547 -4.472 10 HD1 TRP 2 HD1 TRP 2 63.859 21.386 -3.375 11 HE1 TRP 2 HE1 TRP 2 63.536 23.918 -2.876 12 HE3 TRP 2 HE3 TRP 2 59.807 22.289 -6.371 13 HZ2 TRP 2 HZ2 TRP 2 61.745 26.023 -3.686 14 HZ3 TRP 2 HZ3 TRP 2 58.808 24.566 -6.492 15 HH2 TRP 2 HH2 TRP 2 59.771 26.432 -5.153 16 H GLY 3 HN GLY 3 61.410 19.413 -8.468 17 HA2 GLY 3 HA1 GLY 3 61.114 17.441 -9.653 18 HA3 GLY 3 HA2 GLY 3 62.585 16.805 -8.890 19 H SER 4 HN SER 4 60.242 18.001 -6.695 20 HA SER 4 HA SER 4 58.674 15.550 -6.476 21 HB2 SER 4 HB2 SER 4 60.894 16.083 -4.468 22 HB3 SER 4 HB1 SER 4 59.532 14.980 -4.171 23 HG SER 4 HG SER 4 60.267 13.652 -5.725 24 H ILE 5 HN ILE 5 57.561 17.854 -6.840 25 HA ILE 5 HA ILE 5 57.247 19.579 -4.593 26 HB ILE 5 HB ILE 5 56.529 20.243 -6.837 27 HG12 ILE 5 HG12 ILE 5 54.112 20.053 -4.974 28 HG13 ILE 5 HG11 ILE 5 55.424 21.246 -4.819 29 HG21 ILE 5 HG21 ILE 5 54.110 18.417 -6.675 30 HG22 ILE 5 HG22 ILE 5 55.645 17.801 -7.328 31 HG23 ILE 5 HG23 ILE 5 54.846 19.192 -8.093 32 HD11 ILE 5 HD1 ILE 5 53.492 20.915 -7.149 33 HD12 ILE 5 HD2 ILE 5 54.933 21.957 -7.208 34 HD13 ILE 5 HD3 ILE 5 53.630 22.305 -6.047 35 H PHE 6 HN PHE 6 56.762 18.831 -2.628 36 HA PHE 6 HA PHE 6 55.686 17.598 -0.967 37 HB2 PHE 6 HB2 PHE 6 53.422 18.623 -2.716 38 HB3 PHE 6 HB1 PHE 6 53.105 17.736 -1.206 39 HD1 PHE 6 HD1 PHE 6 53.695 18.686 0.974 40 HD2 PHE 6 HD2 PHE 6 54.484 20.845 -2.678 41 HE1 PHE 6 HE1 PHE 6 54.089 20.766 2.289 42 HE2 PHE 6 HE2 PHE 6 54.878 22.926 -1.364 43 HZ PHE 6 HZ PHE 6 54.641 22.893 1.117 44 H LYS 7 HN LYS 7 56.396 16.179 -3.641 45 HA LYS 7 HA LYS 7 54.414 14.093 -3.947 46 HB2 LYS 7 HB2 LYS 7 56.180 14.757 -5.646 47 HB3 LYS 7 HB1 LYS 7 57.375 13.929 -4.619 48 HG2 LYS 7 HG2 LYS 7 56.135 11.819 -4.816 49 HG3 LYS 7 HG1 LYS 7 54.865 12.629 -5.764 50 HD2 LYS 7 HD2 LYS 7 56.462 13.136 -7.550 51 HD3 LYS 7 HD1 LYS 7 57.796 12.453 -6.589 52 HE2 LYS 7 HE2 LYS 7 56.799 10.234 -6.672 53 HE3 LYS 7 HE1 LYS 7 55.338 10.876 -7.462 54 HZ1 LYS 7 HZ1 LYS 7 56.789 9.910 -9.098 55 HZ2 LYS 7 HZ2 LYS 7 58.098 10.859 -8.580 56 HZ3 LYS 7 HZ3 LYS 7 56.757 11.591 -9.323 57 H HIS 8 HN HIS 8 57.696 14.075 -2.471 58 HA HIS 8 HA HIS 8 57.116 11.506 -1.134 59 HB2 HIS 8 HB2 HIS 8 59.416 11.728 -0.278 60 HB3 HIS 8 HB1 HIS 8 59.365 11.988 -2.038 61 HD1 HIS 8 HD1 HIS 8 58.004 14.982 -1.454 62 HD2 HIS 8 HD2 HIS 8 61.707 13.490 -0.133 63 HE1 HIS 8 HE1 HIS 8 59.511 16.991 -0.985 64 H GLY 9 HN GLY 9 55.300 13.554 -0.394 65 HA2 GLY 9 HA1 GLY 9 55.546 13.385 2.473 66 HA3 GLY 9 HA2 GLY 9 55.958 15.017 1.912 67 H ARG 10 HN ARG 10 53.657 13.022 0.175 68 HA ARG 10 HA ARG 10 51.303 13.987 1.546 69 HB2 ARG 10 HB2 ARG 10 52.294 16.057 0.255 70 HB3 ARG 10 HB1 ARG 10 51.646 15.254 -1.193 71 HG2 ARG 10 HG2 ARG 10 49.403 15.114 0.047 72 HG3 ARG 10 HG1 ARG 10 50.114 16.193 1.270 73 HD2 ARG 10 HD2 ARG 10 50.651 17.824 -0.584 74 HD3 ARG 10 HD1 ARG 10 49.739 16.777 -1.698 75 HE ARG 10 HE ARG 10 48.189 17.508 0.662 76 HH11 ARG 10 HH11 ARG 10 47.810 17.325 -2.532 77 HH12 ARG 10 HH12 ARG 10 47.139 18.900 -2.790 78 HH21 ARG 10 HH21 ARG 10 47.954 20.056 0.377 79 HH22 ARG 10 HH22 ARG 10 47.221 20.447 -1.143 80 H HIS 11 HN HIS 11 52.757 11.680 0.107 81 HA HIS 11 HA HIS 11 50.290 10.612 -1.174 82 HB2 HIS 11 HB2 HIS 11 53.010 10.714 -2.534 83 HB3 HIS 11 HB1 HIS 11 51.644 9.713 -3.084 84 HD1 HIS 11 HD1 HIS 11 49.851 10.818 -4.480 85 HD2 HIS 11 HD2 HIS 11 52.462 13.588 -2.690 86 HE1 HIS 11 HE1 HIS 11 49.276 13.123 -5.419 87 H ALA 12 HN ALA 12 50.021 8.554 -1.162 88 HA ALA 12 HA ALA 12 50.162 6.376 -0.482 89 HB1 ALA 12 HB1 ALA 12 52.268 5.456 -0.003 90 HB2 ALA 12 HB2 ALA 12 52.834 7.063 0.454 91 HB3 ALA 12 HB3 ALA 12 52.548 6.692 -1.248 92 H ALA 13 HN ALA 13 51.561 8.971 1.433 93 HA ALA 13 HA ALA 13 50.963 7.683 4.000 94 HB1 ALA 13 HB1 ALA 13 51.258 10.571 3.009 95 HB2 ALA 13 HB2 ALA 13 52.270 9.728 4.206 96 HB3 ALA 13 HB3 ALA 13 50.608 10.209 4.625 97 H LYS 14 HN LYS 14 50.057 8.107 0.978 98 HA LYS 14 HA LYS 14 47.006 8.446 1.556 99 HB2 LYS 14 HB2 LYS 14 48.474 9.968 -0.035 100 HB3 LYS 14 HB1 LYS 14 48.494 8.506 -1.086 101 HG2 LYS 14 HG2 LYS 14 45.727 8.900 -0.369 102 HG3 LYS 14 HG1 LYS 14 46.335 10.543 -0.634 103 HD2 LYS 14 HD2 LYS 14 47.309 9.727 -2.845 104 HD3 LYS 14 HD1 LYS 14 46.407 8.213 -2.596 105 HE2 LYS 14 HE2 LYS 14 45.275 11.025 -2.875 106 HE3 LYS 14 HE1 LYS 14 45.011 9.634 -3.953 107 HZ1 LYS 14 HZ1 LYS 14 43.116 9.832 -2.564 108 HZ2 LYS 14 HZ2 LYS 14 44.058 9.967 -1.155 109 HZ3 LYS 14 HZ3 LYS 14 43.988 8.493 -1.997 110 H HIS 15 HN HIS 15 46.277 7.435 -0.969 111 HA HIS 15 HA HIS 15 45.450 5.322 -1.612 112 HB2 HIS 15 HB2 HIS 15 47.385 6.101 -3.072 113 HB3 HIS 15 HB1 HIS 15 48.410 4.963 -2.169 114 HD1 HIS 15 HD1 HIS 15 45.404 5.088 -4.505 115 HD2 HIS 15 HD2 HIS 15 48.020 2.249 -2.836 116 HE1 HIS 15 HE1 HIS 15 44.981 2.870 -5.699 117 H ILE 16 HN ILE 16 46.389 5.375 1.253 118 HA ILE 16 HA ILE 16 45.936 2.891 2.041 119 HB ILE 16 HB ILE 16 47.760 1.801 0.913 120 HG12 ILE 16 HG12 ILE 16 48.797 2.292 3.729 121 HG13 ILE 16 HG11 ILE 16 47.384 1.269 3.391 122 HG21 ILE 16 HG21 ILE 16 49.144 3.861 0.399 123 HG22 ILE 16 HG22 ILE 16 50.115 2.574 1.131 124 HG23 ILE 16 HG23 ILE 16 49.591 3.941 2.120 125 HD11 ILE 16 HD1 ILE 16 49.000 0.030 1.706 126 HD12 ILE 16 HD2 ILE 16 49.150 -0.293 3.446 127 HD13 ILE 16 HD3 ILE 16 50.291 0.810 2.650 128 H GLY 17 HN GLY 17 48.302 5.178 2.447 129 HA2 GLY 17 HA1 GLY 17 48.158 5.204 5.340 130 HA3 GLY 17 HA2 GLY 17 48.909 6.451 4.322 131 H HIS 18 HN HIS 18 46.205 6.125 2.705 132 HA HIS 18 HA HIS 18 44.796 8.276 4.274 133 HB2 HIS 18 HB2 HIS 18 44.906 7.375 1.429 134 HB3 HIS 18 HB1 HIS 18 43.267 7.759 1.984 135 HD1 HIS 18 HD1 HIS 18 43.294 9.857 0.376 136 HD2 HIS 18 HD2 HIS 18 46.222 9.947 3.387 137 HE1 HIS 18 HE1 HIS 18 44.143 12.261 0.545 138 H ALA 19 HN ALA 19 44.598 4.911 3.224 139 HA ALA 19 HA ALA 19 42.686 4.322 5.339 140 HB1 ALA 19 HB1 ALA 19 41.670 4.414 2.475 141 HB2 ALA 19 HB2 ALA 19 41.048 5.304 3.891 142 HB3 ALA 19 HB3 ALA 19 40.852 3.540 3.796 143 H ALA 20 HN ALA 20 43.246 3.135 2.022 144 HA ALA 20 HA ALA 20 44.921 0.936 2.848 145 HB1 ALA 20 HB1 ALA 20 43.402 -0.906 2.555 146 HB2 ALA 20 HB2 ALA 20 42.083 0.185 2.069 147 HB3 ALA 20 HB3 ALA 20 42.676 0.196 3.747 148 H VAL 21 HN VAL 21 42.918 2.716 0.657 149 HA VAL 21 HA VAL 21 44.660 1.898 -1.609 150 HB VAL 21 HB VAL 21 41.619 1.687 -1.815 151 HG11 VAL 21 HG11 VAL 21 42.596 2.323 -3.926 152 HG12 VAL 21 HG12 VAL 21 42.273 0.580 -4.024 153 HG13 VAL 21 HG13 VAL 21 43.928 1.162 -3.735 154 HG21 VAL 21 HG21 VAL 21 42.395 -0.186 -0.484 155 HG22 VAL 21 HG22 VAL 21 43.780 -0.454 -1.571 156 HG23 VAL 21 HG23 VAL 21 42.125 -0.788 -2.133 157 H ASN 22 HN ASN 22 42.504 4.090 0.023 158 HA ASN 22 HA ASN 22 43.440 6.432 -1.201 159 HB2 ASN 22 HB2 ASN 22 42.607 5.845 -3.369 160 HB3 ASN 22 HB1 ASN 22 41.084 5.224 -2.697 161 HD21 ASN 22 HD21 ASN 22 42.666 7.992 -4.055 162 HD22 ASN 22 HD22 ASN 22 41.387 9.162 -3.710 163 H HIS 23 HN HIS 23 40.533 4.727 -0.058 164 HA HIS 23 HA HIS 23 40.178 6.579 2.127 165 HB2 HIS 23 HB2 HIS 23 39.364 7.925 0.079 166 HB3 HIS 23 HB1 HIS 23 38.015 6.771 -0.004 167 HD1 HIS 23 HD1 HIS 23 39.681 8.417 3.052 168 HD2 HIS 23 HD2 HIS 23 35.912 8.083 1.216 169 HE1 HIS 23 HE1 HIS 23 37.996 9.623 4.547 170 H TYR 24 HN TYR 24 37.101 6.135 1.637 171 HA TYR 24 HA TYR 24 35.564 4.610 2.468 172 HB2 TYR 24 HB2 TYR 24 37.449 2.601 1.171 173 HB3 TYR 24 HB1 TYR 24 35.748 2.315 1.613 174 HD1 TYR 24 HD1 TYR 24 33.924 3.273 0.313 175 HD2 TYR 24 HD2 TYR 24 38.033 4.153 -0.670 176 HE1 TYR 24 HE1 TYR 24 33.197 4.237 -1.867 177 HE2 TYR 24 HE2 TYR 24 37.307 5.116 -2.850 178 HH TYR 24 HH TYR 24 33.893 4.905 -3.883 179 H LEU 25 HN LEU 25 37.953 5.339 4.127 180 HA LEU 25 HA LEU 25 38.944 3.120 5.569 181 HB2 LEU 25 HB2 LEU 25 39.463 5.717 5.698 182 HB3 LEU 25 HB1 LEU 25 38.246 5.707 6.992 183 HG LEU 25 HG LEU 25 40.796 4.029 6.870 184 HD11 LEU 25 HD11 LEU 25 39.904 6.218 8.798 185 HD12 LEU 25 HD12 LEU 25 41.053 6.451 7.459 186 HD13 LEU 25 HD13 LEU 25 41.467 5.367 8.809 187 HD21 LEU 25 HD21 LEU 25 40.035 3.448 9.282 188 HD22 LEU 25 HD22 LEU 25 39.180 2.641 7.951 189 HD23 LEU 25 HD23 LEU 25 38.426 4.023 8.784 Start of MODEL 63 1 H1 GLY 1 HT1 GLY 1 66.384 23.720 -3.397 2 H2 GLY 1 HT2 GLY 1 66.298 22.422 -4.491 3 H3 GLY 1 HT3 GLY 1 67.643 22.588 -3.466 4 HA2 GLY 1 HA1 GLY 1 66.539 21.923 -1.624 5 HA3 GLY 1 HA2 GLY 1 64.967 22.347 -2.332 6 H TRP 2 HN TRP 2 64.638 20.087 -1.343 7 HA TRP 2 HA TRP 2 65.745 17.779 -2.589 8 HB2 TRP 2 HB2 TRP 2 62.912 18.014 -1.516 9 HB3 TRP 2 HB1 TRP 2 63.940 16.564 -1.582 10 HD1 TRP 2 HD1 TRP 2 66.549 17.335 -0.329 11 HE1 TRP 2 HE1 TRP 2 66.795 18.155 2.127 12 HE3 TRP 2 HE3 TRP 2 61.754 18.937 0.470 13 HZ2 TRP 2 HZ2 TRP 2 65.114 19.344 4.140 14 HZ3 TRP 2 HZ3 TRP 2 61.096 19.911 2.665 15 HH2 TRP 2 HH2 TRP 2 62.770 20.116 4.499 16 H GLY 3 HN GLY 3 63.394 20.091 -3.690 17 HA2 GLY 3 HA1 GLY 3 62.450 20.298 -5.804 18 HA3 GLY 3 HA2 GLY 3 63.337 18.849 -6.319 19 H SER 4 HN SER 4 61.718 18.128 -3.491 20 HA SER 4 HA SER 4 59.847 16.396 -4.868 21 HB2 SER 4 HB2 SER 4 58.999 15.935 -2.568 22 HB3 SER 4 HB1 SER 4 60.766 15.782 -2.691 23 HG SER 4 HG SER 4 59.612 18.260 -2.005 24 H ILE 5 HN ILE 5 58.163 17.170 -5.966 25 HA ILE 5 HA ILE 5 56.888 19.695 -5.245 26 HB ILE 5 HB ILE 5 55.806 17.554 -7.124 27 HG12 ILE 5 HG12 ILE 5 58.039 17.895 -7.895 28 HG13 ILE 5 HG11 ILE 5 57.037 18.932 -8.926 29 HG21 ILE 5 HG21 ILE 5 54.950 19.707 -8.293 30 HG22 ILE 5 HG22 ILE 5 55.349 20.543 -6.776 31 HG23 ILE 5 HG23 ILE 5 54.162 19.224 -6.777 32 HD11 ILE 5 HD1 ILE 5 58.819 19.752 -6.599 33 HD12 ILE 5 HD2 ILE 5 57.588 20.841 -7.277 34 HD13 ILE 5 HD3 ILE 5 58.922 20.265 -8.297 35 H PHE 6 HN PHE 6 56.589 18.791 -2.941 36 HA PHE 6 HA PHE 6 55.103 18.124 -1.296 37 HB2 PHE 6 HB2 PHE 6 52.953 18.328 -3.434 38 HB3 PHE 6 HB1 PHE 6 52.760 18.490 -1.673 39 HD1 PHE 6 HD1 PHE 6 53.345 20.271 -4.742 40 HD2 PHE 6 HD2 PHE 6 54.159 20.366 -0.503 41 HE1 PHE 6 HE1 PHE 6 53.829 22.712 -4.889 42 HE2 PHE 6 HE2 PHE 6 54.641 22.805 -0.650 43 HZ PHE 6 HZ PHE 6 54.454 23.982 -2.839 44 H LYS 7 HN LYS 7 55.934 16.238 -3.823 45 HA LYS 7 HA LYS 7 54.029 14.099 -3.738 46 HB2 LYS 7 HB2 LYS 7 57.007 14.101 -4.368 47 HB3 LYS 7 HB1 LYS 7 55.925 12.722 -4.653 48 HG2 LYS 7 HG2 LYS 7 55.264 15.465 -5.798 49 HG3 LYS 7 HG1 LYS 7 56.411 14.396 -6.632 50 HD2 LYS 7 HD2 LYS 7 54.618 12.581 -6.576 51 HD3 LYS 7 HD1 LYS 7 53.485 13.821 -5.988 52 HE2 LYS 7 HE2 LYS 7 53.235 13.707 -8.385 53 HE3 LYS 7 HE1 LYS 7 54.107 15.214 -8.018 54 HZ1 LYS 7 HZ1 LYS 7 55.757 12.851 -8.425 55 HZ2 LYS 7 HZ2 LYS 7 55.993 14.451 -8.948 56 HZ3 LYS 7 HZ3 LYS 7 54.944 13.420 -9.801 57 H HIS 8 HN HIS 8 57.226 14.433 -2.126 58 HA HIS 8 HA HIS 8 56.689 12.096 -0.433 59 HB2 HIS 8 HB2 HIS 8 58.979 12.759 -1.229 60 HB3 HIS 8 HB1 HIS 8 58.880 14.193 -0.182 61 HD1 HIS 8 HD1 HIS 8 57.679 10.642 0.620 62 HD2 HIS 8 HD2 HIS 8 60.612 13.389 1.859 63 HE1 HIS 8 HE1 HIS 8 58.789 9.680 2.712 64 H GLY 9 HN GLY 9 54.744 14.284 -0.284 65 HA2 GLY 9 HA1 GLY 9 54.582 14.437 2.607 66 HA3 GLY 9 HA2 GLY 9 55.039 15.998 1.898 67 H ARG 10 HN ARG 10 53.069 13.831 0.019 68 HA ARG 10 HA ARG 10 50.513 14.826 0.979 69 HB2 ARG 10 HB2 ARG 10 51.647 16.785 -0.370 70 HB3 ARG 10 HB1 ARG 10 51.224 15.820 -1.801 71 HG2 ARG 10 HG2 ARG 10 48.842 15.785 -1.048 72 HG3 ARG 10 HG1 ARG 10 49.285 16.797 0.347 73 HD2 ARG 10 HD2 ARG 10 48.383 18.191 -1.480 74 HD3 ARG 10 HD1 ARG 10 50.102 18.560 -1.205 75 HE ARG 10 HE ARG 10 49.985 16.552 -3.206 76 HH11 ARG 10 HH11 ARG 10 49.821 17.073 -5.410 77 HH12 ARG 10 HH12 ARG 10 49.580 18.725 -5.871 78 HH21 ARG 10 HH21 ARG 10 49.323 19.877 -2.611 79 HH22 ARG 10 HH22 ARG 10 49.299 20.312 -4.287 80 H HIS 11 HN HIS 11 52.271 12.473 -0.119 81 HA HIS 11 HA HIS 11 49.973 11.086 -1.332 82 HB2 HIS 11 HB2 HIS 11 51.036 12.169 -3.313 83 HB3 HIS 11 HB1 HIS 11 52.572 11.372 -2.895 84 HD1 HIS 11 HD1 HIS 11 52.916 9.013 -3.702 85 HD2 HIS 11 HD2 HIS 11 48.877 10.175 -3.840 86 HE1 HIS 11 HE1 HIS 11 51.628 7.154 -4.891 87 H ALA 12 HN ALA 12 50.025 9.020 -1.340 88 HA ALA 12 HA ALA 12 50.494 6.899 -0.662 89 HB1 ALA 12 HB1 ALA 12 52.795 7.545 -1.503 90 HB2 ALA 12 HB2 ALA 12 52.718 6.279 -0.251 91 HB3 ALA 12 HB3 ALA 12 53.073 7.953 0.182 92 H ALA 13 HN ALA 13 51.646 9.661 1.207 93 HA ALA 13 HA ALA 13 51.311 8.315 3.788 94 HB1 ALA 13 HB1 ALA 13 50.955 10.637 4.628 95 HB2 ALA 13 HB2 ALA 13 50.874 11.246 2.957 96 HB3 ALA 13 HB3 ALA 13 52.408 10.613 3.601 97 H LYS 14 HN LYS 14 50.196 8.582 0.823 98 HA LYS 14 HA LYS 14 47.162 8.574 1.590 99 HB2 LYS 14 HB2 LYS 14 48.288 10.274 -0.052 100 HB3 LYS 14 HB1 LYS 14 48.560 8.827 -1.097 101 HG2 LYS 14 HG2 LYS 14 46.323 8.774 -1.747 102 HG3 LYS 14 HG1 LYS 14 45.717 9.181 -0.126 103 HD2 LYS 14 HD2 LYS 14 46.185 11.546 -0.489 104 HD3 LYS 14 HD1 LYS 14 46.987 11.190 -2.038 105 HE2 LYS 14 HE2 LYS 14 44.053 10.671 -1.387 106 HE3 LYS 14 HE1 LYS 14 44.677 11.979 -2.419 107 HZ1 LYS 14 HZ1 LYS 14 44.442 10.512 -4.066 108 HZ2 LYS 14 HZ2 LYS 14 44.293 9.186 -3.014 109 HZ3 LYS 14 HZ3 LYS 14 45.832 9.755 -3.458 110 H HIS 15 HN HIS 15 46.158 7.476 -0.598 111 HA HIS 15 HA HIS 15 45.501 5.320 -1.240 112 HB2 HIS 15 HB2 HIS 15 47.022 6.241 -3.000 113 HB3 HIS 15 HB1 HIS 15 48.374 5.372 -2.233 114 HD1 HIS 15 HD1 HIS 15 44.792 4.456 -3.345 115 HD2 HIS 15 HD2 HIS 15 48.722 2.974 -3.531 116 HE1 HIS 15 HE1 HIS 15 44.702 2.209 -4.555 117 H ILE 16 HN ILE 16 47.014 5.504 1.419 118 HA ILE 16 HA ILE 16 46.848 2.946 2.196 119 HB ILE 16 HB ILE 16 48.582 2.087 0.811 120 HG12 ILE 16 HG12 ILE 16 50.090 2.683 3.385 121 HG13 ILE 16 HG11 ILE 16 48.700 1.576 3.365 122 HG21 ILE 16 HG21 ILE 16 49.631 4.162 0.021 123 HG22 ILE 16 HG22 ILE 16 50.893 3.213 0.824 124 HG23 ILE 16 HG23 ILE 16 50.139 4.561 1.672 125 HD11 ILE 16 HD1 ILE 16 49.970 0.365 1.412 126 HD12 ILE 16 HD2 ILE 16 50.554 0.137 3.074 127 HD13 ILE 16 HD3 ILE 16 51.392 1.265 1.991 128 H GLY 17 HN GLY 17 48.757 5.649 2.362 129 HA2 GLY 17 HA1 GLY 17 48.997 5.527 5.288 130 HA3 GLY 17 HA2 GLY 17 49.451 6.894 4.250 131 H HIS 18 HN HIS 18 46.738 6.198 2.827 132 HA HIS 18 HA HIS 18 45.105 8.022 4.594 133 HB2 HIS 18 HB2 HIS 18 45.169 7.321 1.679 134 HB3 HIS 18 HB1 HIS 18 43.548 7.567 2.358 135 HD1 HIS 18 HD1 HIS 18 46.442 9.497 3.807 136 HD2 HIS 18 HD2 HIS 18 43.271 10.114 1.118 137 HE1 HIS 18 HE1 HIS 18 46.328 12.004 3.327 138 H ALA 19 HN ALA 19 44.973 4.794 2.973 139 HA ALA 19 HA ALA 19 43.789 3.372 5.042 140 HB1 ALA 19 HB1 ALA 19 41.819 4.598 5.317 141 HB2 ALA 19 HB2 ALA 19 41.279 3.427 4.097 142 HB3 ALA 19 HB3 ALA 19 41.754 5.069 3.603 143 H ALA 20 HN ALA 20 45.108 3.577 2.187 144 HA ALA 20 HA ALA 20 45.420 2.101 0.426 145 HB1 ALA 20 HB1 ALA 20 45.587 0.505 2.426 146 HB2 ALA 20 HB2 ALA 20 45.198 -0.226 0.852 147 HB3 ALA 20 HB3 ALA 20 43.912 0.032 2.055 148 H VAL 21 HN VAL 21 42.639 3.427 1.261 149 HA VAL 21 HA VAL 21 41.242 2.475 -1.199 150 HB VAL 21 HB VAL 21 39.910 2.625 1.546 151 HG11 VAL 21 HG11 VAL 21 38.887 2.150 -1.281 152 HG12 VAL 21 HG12 VAL 21 38.273 3.277 -0.047 153 HG13 VAL 21 HG13 VAL 21 37.999 1.533 0.132 154 HG21 VAL 21 HG21 VAL 21 41.279 0.608 1.368 155 HG22 VAL 21 HG22 VAL 21 40.630 0.264 -0.252 156 HG23 VAL 21 HG23 VAL 21 39.574 0.147 1.175 157 H ASN 22 HN ASN 22 42.313 4.810 0.954 158 HA ASN 22 HA ASN 22 42.364 7.141 0.363 159 HB2 ASN 22 HB2 ASN 22 40.827 6.764 -1.654 160 HB3 ASN 22 HB1 ASN 22 39.460 6.961 -0.524 161 HD21 ASN 22 HD21 ASN 22 42.495 8.637 -1.607 162 HD22 ASN 22 HD22 ASN 22 41.845 10.261 -1.356 163 H HIS 23 HN HIS 23 39.612 5.416 1.754 164 HA HIS 23 HA HIS 23 39.935 6.743 4.291 165 HB2 HIS 23 HB2 HIS 23 38.876 8.620 3.030 166 HB3 HIS 23 HB1 HIS 23 37.479 7.569 2.690 167 HD1 HIS 23 HD1 HIS 23 39.006 6.983 6.008 168 HD2 HIS 23 HD2 HIS 23 36.015 9.475 4.413 169 HE1 HIS 23 HE1 HIS 23 37.642 7.887 7.970 170 H TYR 24 HN TYR 24 36.651 6.467 3.959 171 HA TYR 24 HA TYR 24 35.179 4.878 4.805 172 HB2 TYR 24 HB2 TYR 24 36.945 3.114 3.063 173 HB3 TYR 24 HB1 TYR 24 35.382 2.610 3.752 174 HD1 TYR 24 HD1 TYR 24 33.275 3.562 2.949 175 HD2 TYR 24 HD2 TYR 24 37.058 4.852 1.319 176 HE1 TYR 24 HE1 TYR 24 32.083 4.674 1.064 177 HE2 TYR 24 HE2 TYR 24 35.866 5.965 -0.565 178 HH TYR 24 HH TYR 24 33.552 6.918 -0.972 179 H LEU 25 HN LEU 25 37.920 5.333 6.157 180 HA LEU 25 HA LEU 25 38.667 2.843 7.380 181 HB2 LEU 25 HB2 LEU 25 39.861 5.214 7.271 182 HB3 LEU 25 HB1 LEU 25 38.997 5.507 8.794 183 HG LEU 25 HG LEU 25 40.940 3.228 8.200 184 HD11 LEU 25 HD11 LEU 25 41.055 5.556 10.169 185 HD12 LEU 25 HD12 LEU 25 41.951 5.466 8.633 186 HD13 LEU 25 HD13 LEU 25 42.306 4.311 9.941 187 HD21 LEU 25 HD21 LEU 25 39.115 3.792 10.574 188 HD22 LEU 25 HD22 LEU 25 40.586 2.801 10.730 189 HD23 LEU 25 HD23 LEU 25 39.279 2.285 9.640 Start of MODEL 64 1 H1 GLY 1 HT1 GLY 1 67.641 18.316 -3.402 2 H2 GLY 1 HT2 GLY 1 67.965 17.044 -4.482 3 H3 GLY 1 HT3 GLY 1 68.698 17.072 -2.949 4 HA2 GLY 1 HA1 GLY 1 66.763 16.592 -1.845 5 HA3 GLY 1 HA2 GLY 1 65.787 17.006 -3.269 6 H TRP 2 HN TRP 2 66.075 14.523 -1.536 7 HA TRP 2 HA TRP 2 67.364 12.445 -2.945 8 HB2 TRP 2 HB2 TRP 2 66.265 12.304 -0.669 9 HB3 TRP 2 HB1 TRP 2 64.696 12.206 -1.503 10 HD1 TRP 2 HD1 TRP 2 68.114 10.371 -1.539 11 HE1 TRP 2 HE1 TRP 2 67.711 7.845 -2.012 12 HE3 TRP 2 HE3 TRP 2 63.039 10.477 -2.208 13 HZ2 TRP 2 HZ2 TRP 2 65.471 6.135 -2.600 14 HZ3 TRP 2 HZ3 TRP 2 61.790 8.386 -2.724 15 HH2 TRP 2 HH2 TRP 2 63.000 6.217 -2.921 16 H GLY 3 HN GLY 3 63.807 12.941 -2.990 17 HA2 GLY 3 HA1 GLY 3 63.529 13.151 -5.799 18 HA3 GLY 3 HA2 GLY 3 63.464 11.425 -5.393 19 H SER 4 HN SER 4 62.380 12.723 -2.657 20 HA SER 4 HA SER 4 59.737 13.650 -3.388 21 HB2 SER 4 HB2 SER 4 58.414 11.730 -2.813 22 HB3 SER 4 HB1 SER 4 59.610 11.194 -4.014 23 HG SER 4 HG SER 4 59.413 9.815 -2.135 24 H ILE 5 HN ILE 5 60.837 15.145 -1.838 25 HA ILE 5 HA ILE 5 61.083 14.240 0.942 26 HB ILE 5 HB ILE 5 60.976 17.126 -0.032 27 HG12 ILE 5 HG12 ILE 5 63.319 15.167 -0.019 28 HG13 ILE 5 HG11 ILE 5 62.580 15.925 -1.449 29 HG21 ILE 5 HG21 ILE 5 62.241 17.594 1.948 30 HG22 ILE 5 HG22 ILE 5 62.593 15.870 2.223 31 HG23 ILE 5 HG23 ILE 5 60.945 16.493 2.466 32 HD11 ILE 5 HD1 ILE 5 64.500 17.255 -1.021 33 HD12 ILE 5 HD2 ILE 5 64.238 17.224 0.738 34 HD13 ILE 5 HD3 ILE 5 63.167 18.191 -0.304 35 H PHE 6 HN PHE 6 58.771 16.143 -1.001 36 HA PHE 6 HA PHE 6 57.056 16.685 1.326 37 HB2 PHE 6 HB2 PHE 6 56.577 17.046 -1.659 38 HB3 PHE 6 HB1 PHE 6 55.536 17.673 -0.357 39 HD1 PHE 6 HD1 PHE 6 58.918 17.893 -1.914 40 HD2 PHE 6 HD2 PHE 6 56.172 19.617 0.936 41 HE1 PHE 6 HE1 PHE 6 60.388 19.895 -1.708 42 HE2 PHE 6 HE2 PHE 6 57.642 21.619 1.142 43 HZ PHE 6 HZ PHE 6 59.730 21.775 -0.209 44 H LYS 7 HN LYS 7 57.623 13.873 0.857 45 HA LYS 7 HA LYS 7 56.489 11.850 0.708 46 HB2 LYS 7 HB2 LYS 7 54.100 13.602 1.407 47 HB3 LYS 7 HB1 LYS 7 54.191 11.832 1.584 48 HG2 LYS 7 HG2 LYS 7 56.121 12.108 3.140 49 HG3 LYS 7 HG1 LYS 7 55.958 13.875 3.003 50 HD2 LYS 7 HD2 LYS 7 53.697 13.782 3.938 51 HD3 LYS 7 HD1 LYS 7 53.752 12.002 3.971 52 HE2 LYS 7 HE2 LYS 7 54.261 13.188 6.193 53 HE3 LYS 7 HE1 LYS 7 55.459 11.987 5.651 54 HZ1 LYS 7 HZ1 LYS 7 56.472 14.084 6.396 55 HZ2 LYS 7 HZ2 LYS 7 55.648 14.920 5.168 56 HZ3 LYS 7 HZ3 LYS 7 56.816 13.751 4.769 57 H HIS 8 HN HIS 8 57.008 12.155 -1.687 58 HA HIS 8 HA HIS 8 56.333 12.042 -3.913 59 HB2 HIS 8 HB2 HIS 8 54.016 10.668 -2.507 60 HB3 HIS 8 HB1 HIS 8 54.242 10.659 -4.272 61 HD1 HIS 8 HD1 HIS 8 55.782 9.403 -1.032 62 HD2 HIS 8 HD2 HIS 8 56.343 8.989 -5.182 63 HE1 HIS 8 HE1 HIS 8 57.441 7.493 -1.389 64 H GLY 9 HN GLY 9 55.406 14.390 -2.189 65 HA2 GLY 9 HA1 GLY 9 54.320 16.369 -2.753 66 HA3 GLY 9 HA2 GLY 9 53.789 15.625 -4.273 67 H ARG 10 HN ARG 10 53.236 15.118 -0.755 68 HA ARG 10 HA ARG 10 51.267 14.734 0.401 69 HB2 ARG 10 HB2 ARG 10 50.314 16.661 -1.750 70 HB3 ARG 10 HB1 ARG 10 49.231 16.055 -0.482 71 HG2 ARG 10 HG2 ARG 10 50.168 18.196 0.232 72 HG3 ARG 10 HG1 ARG 10 50.824 16.899 1.254 73 HD2 ARG 10 HD2 ARG 10 52.494 18.665 0.380 74 HD3 ARG 10 HD1 ARG 10 52.942 16.960 0.164 75 HE ARG 10 HE ARG 10 52.847 17.335 -2.164 76 HH11 ARG 10 HH11 ARG 10 50.394 17.848 -3.140 77 HH12 ARG 10 HH12 ARG 10 50.243 19.559 -3.367 78 HH21 ARG 10 HH21 ARG 10 52.915 20.338 -1.301 79 HH22 ARG 10 HH22 ARG 10 51.672 20.968 -2.327 80 H HIS 11 HN HIS 11 52.050 12.739 -1.417 81 HA HIS 11 HA HIS 11 49.415 11.473 -1.803 82 HB2 HIS 11 HB2 HIS 11 49.896 12.615 -4.005 83 HB3 HIS 11 HB1 HIS 11 51.385 11.647 -4.121 84 HD1 HIS 11 HD1 HIS 11 51.047 8.960 -4.120 85 HD2 HIS 11 HD2 HIS 11 47.645 11.291 -4.939 86 HE1 HIS 11 HE1 HIS 11 49.290 7.412 -5.142 87 H ALA 12 HN ALA 12 50.293 10.635 0.023 88 HA ALA 12 HA ALA 12 51.083 7.955 -0.285 89 HB1 ALA 12 HB1 ALA 12 53.026 10.007 0.529 90 HB2 ALA 12 HB2 ALA 12 53.240 8.954 -0.887 91 HB3 ALA 12 HB3 ALA 12 53.358 8.287 0.756 92 H ALA 13 HN ALA 13 51.166 11.051 1.292 93 HA ALA 13 HA ALA 13 50.749 10.014 4.017 94 HB1 ALA 13 HB1 ALA 13 50.043 12.612 2.543 95 HB2 ALA 13 HB2 ALA 13 51.194 12.415 3.887 96 HB3 ALA 13 HB3 ALA 13 49.444 12.268 4.182 97 H LYS 14 HN LYS 14 50.074 9.678 0.902 98 HA LYS 14 HA LYS 14 47.086 8.871 1.267 99 HB2 LYS 14 HB2 LYS 14 47.975 10.671 -0.381 100 HB3 LYS 14 HB1 LYS 14 48.833 9.289 -1.185 101 HG2 LYS 14 HG2 LYS 14 46.852 8.538 -2.165 102 HG3 LYS 14 HG1 LYS 14 45.861 8.895 -0.729 103 HD2 LYS 14 HD2 LYS 14 45.669 11.218 -1.335 104 HD3 LYS 14 HD1 LYS 14 46.918 11.062 -2.594 105 HE2 LYS 14 HE2 LYS 14 44.491 11.075 -3.425 106 HE3 LYS 14 HE1 LYS 14 45.491 9.707 -3.972 107 HZ1 LYS 14 HZ1 LYS 14 43.784 9.571 -1.546 108 HZ2 LYS 14 HZ2 LYS 14 44.505 8.289 -2.397 109 HZ3 LYS 14 HZ3 LYS 14 43.211 9.148 -3.086 110 H HIS 15 HN HIS 15 46.811 7.368 -0.905 111 HA HIS 15 HA HIS 15 46.851 5.078 -1.373 112 HB2 HIS 15 HB2 HIS 15 48.399 6.255 -2.962 113 HB3 HIS 15 HB1 HIS 15 49.755 5.800 -1.902 114 HD1 HIS 15 HD1 HIS 15 46.824 3.467 -2.429 115 HD2 HIS 15 HD2 HIS 15 50.799 3.894 -3.737 116 HE1 HIS 15 HE1 HIS 15 47.451 1.324 -3.670 117 H ILE 16 HN ILE 16 47.743 5.858 1.454 118 HA ILE 16 HA ILE 16 48.086 3.419 2.484 119 HB ILE 16 HB ILE 16 50.250 2.962 1.496 120 HG12 ILE 16 HG12 ILE 16 51.090 4.115 4.183 121 HG13 ILE 16 HG11 ILE 16 49.970 2.738 4.123 122 HG21 ILE 16 HG21 ILE 16 52.128 4.697 1.785 123 HG22 ILE 16 HG22 ILE 16 50.884 5.826 2.321 124 HG23 ILE 16 HG23 ILE 16 50.841 5.194 0.665 125 HD11 ILE 16 HD1 ILE 16 52.813 2.858 3.025 126 HD12 ILE 16 HD2 ILE 16 51.680 1.540 2.651 127 HD13 ILE 16 HD3 ILE 16 52.188 1.828 4.329 128 H GLY 17 HN GLY 17 49.089 6.574 2.581 129 HA2 GLY 17 HA1 GLY 17 48.843 6.750 5.514 130 HA3 GLY 17 HA2 GLY 17 49.118 8.097 4.395 131 H HIS 18 HN HIS 18 46.991 6.544 2.661 132 HA HIS 18 HA HIS 18 44.587 7.828 4.007 133 HB2 HIS 18 HB2 HIS 18 45.393 7.293 1.137 134 HB3 HIS 18 HB1 HIS 18 43.669 7.226 1.534 135 HD1 HIS 18 HD1 HIS 18 43.352 9.408 0.044 136 HD2 HIS 18 HD2 HIS 18 45.606 9.914 3.556 137 HE1 HIS 18 HE1 HIS 18 43.552 11.920 0.466 138 H ALA 19 HN ALA 19 46.274 4.980 3.545 139 HA ALA 19 HA ALA 19 45.691 2.836 4.293 140 HB1 ALA 19 HB1 ALA 19 43.690 4.100 5.494 141 HB2 ALA 19 HB2 ALA 19 43.632 2.336 5.277 142 HB3 ALA 19 HB3 ALA 19 42.712 3.397 4.180 143 H ALA 20 HN ALA 20 45.664 4.151 1.540 144 HA ALA 20 HA ALA 20 45.227 3.518 -0.654 145 HB1 ALA 20 HB1 ALA 20 45.549 1.195 -1.163 146 HB2 ALA 20 HB2 ALA 20 45.075 0.708 0.483 147 HB3 ALA 20 HB3 ALA 20 46.605 1.578 0.217 148 H VAL 21 HN VAL 21 42.999 3.751 1.511 149 HA VAL 21 HA VAL 21 40.792 3.046 -0.342 150 HB VAL 21 HB VAL 21 40.980 1.928 2.494 151 HG11 VAL 21 HG11 VAL 21 38.693 2.495 2.193 152 HG12 VAL 21 HG12 VAL 21 38.754 0.794 1.697 153 HG13 VAL 21 HG13 VAL 21 38.716 2.077 0.466 154 HG21 VAL 21 HG21 VAL 21 40.719 -0.282 1.185 155 HG22 VAL 21 HG22 VAL 21 42.281 0.543 1.020 156 HG23 VAL 21 HG23 VAL 21 41.071 0.664 -0.280 157 H ASN 22 HN ASN 22 42.291 4.929 2.077 158 HA ASN 22 HA ASN 22 41.581 7.179 2.567 159 HB2 ASN 22 HB2 ASN 22 39.484 6.872 1.084 160 HB3 ASN 22 HB1 ASN 22 38.679 6.290 2.567 161 HD21 ASN 22 HD21 ASN 22 40.372 9.128 1.121 162 HD22 ASN 22 HD22 ASN 22 39.662 10.302 2.235 163 H HIS 23 HN HIS 23 40.093 4.253 3.790 164 HA HIS 23 HA HIS 23 41.010 4.771 6.480 165 HB2 HIS 23 HB2 HIS 23 39.094 6.379 6.394 166 HB3 HIS 23 HB1 HIS 23 38.007 5.012 6.049 167 HD1 HIS 23 HD1 HIS 23 40.930 5.133 8.532 168 HD2 HIS 23 HD2 HIS 23 36.742 4.771 8.523 169 HE1 HIS 23 HE1 HIS 23 40.209 4.582 10.919 170 H TYR 24 HN TYR 24 41.761 2.719 6.591 171 HA TYR 24 HA TYR 24 39.795 0.611 7.059 172 HB2 TYR 24 HB2 TYR 24 39.906 0.624 4.561 173 HB3 TYR 24 HB1 TYR 24 41.655 0.312 4.667 174 HD1 TYR 24 HD1 TYR 24 38.292 -1.041 5.638 175 HD2 TYR 24 HD2 TYR 24 42.481 -1.905 5.042 176 HE1 TYR 24 HE1 TYR 24 37.830 -3.474 5.905 177 HE2 TYR 24 HE2 TYR 24 42.016 -4.338 5.310 178 HH TYR 24 HH TYR 24 40.447 -5.894 5.569 179 H LEU 25 HN LEU 25 42.691 2.135 7.500 180 HA LEU 25 HA LEU 25 44.514 1.632 8.830 181 HB2 LEU 25 HB2 LEU 25 42.528 0.414 10.119 182 HB3 LEU 25 HB1 LEU 25 43.349 -1.065 9.579 183 HG LEU 25 HG LEU 25 44.557 1.200 11.232 184 HD11 LEU 25 HD11 LEU 25 44.732 -0.523 12.973 185 HD12 LEU 25 HD12 LEU 25 44.051 -1.741 11.869 186 HD13 LEU 25 HD13 LEU 25 43.043 -0.386 12.432 187 HD21 LEU 25 HD21 LEU 25 45.788 -1.267 9.934 188 HD22 LEU 25 HD22 LEU 25 46.534 -0.467 11.339 189 HD23 LEU 25 HD23 LEU 25 46.323 0.426 9.816 Start of MODEL 65 1 H1 GLY 1 HT1 GLY 1 62.476 20.467 3.206 2 H2 GLY 1 HT2 GLY 1 63.650 19.900 2.117 3 H3 GLY 1 HT3 GLY 1 63.469 19.163 3.636 4 HA2 GLY 1 HA1 GLY 1 61.929 17.823 2.930 5 HA3 GLY 1 HA2 GLY 1 61.026 19.189 2.246 6 H TRP 2 HN TRP 2 64.356 18.455 1.361 7 HA TRP 2 HA TRP 2 65.255 17.973 -0.727 8 HB2 TRP 2 HB2 TRP 2 62.855 16.120 -0.972 9 HB3 TRP 2 HB1 TRP 2 64.423 15.968 -1.800 10 HD1 TRP 2 HD1 TRP 2 66.543 15.296 -0.304 11 HE1 TRP 2 HE1 TRP 2 66.751 14.028 1.956 12 HE3 TRP 2 HE3 TRP 2 61.700 15.710 1.303 13 HZ2 TRP 2 HZ2 TRP 2 65.026 13.309 4.147 14 HZ3 TRP 2 HZ3 TRP 2 61.003 14.726 3.482 15 HH2 TRP 2 HH2 TRP 2 62.661 13.526 4.904 16 H GLY 3 HN GLY 3 64.539 17.552 -3.192 17 HA2 GLY 3 HA1 GLY 3 63.409 20.040 -4.047 18 HA3 GLY 3 HA2 GLY 3 63.749 18.636 -5.077 19 H SER 4 HN SER 4 61.945 17.151 -2.963 20 HA SER 4 HA SER 4 59.620 17.026 -4.590 21 HB2 SER 4 HB2 SER 4 60.038 16.368 -1.652 22 HB3 SER 4 HB1 SER 4 58.559 15.971 -2.556 23 HG SER 4 HG SER 4 60.304 14.326 -2.454 24 H ILE 5 HN ILE 5 58.279 18.644 -5.046 25 HA ILE 5 HA ILE 5 57.974 20.959 -3.350 26 HB ILE 5 HB ILE 5 55.993 20.033 -5.474 27 HG12 ILE 5 HG12 ILE 5 58.622 21.548 -5.823 28 HG13 ILE 5 HG11 ILE 5 58.292 19.894 -6.388 29 HG21 ILE 5 HG21 ILE 5 56.897 22.844 -4.729 30 HG22 ILE 5 HG22 ILE 5 55.527 22.042 -3.928 31 HG23 ILE 5 HG23 ILE 5 55.470 22.364 -5.676 32 HD11 ILE 5 HD1 ILE 5 57.100 22.506 -7.378 33 HD12 ILE 5 HD2 ILE 5 56.292 20.947 -7.683 34 HD13 ILE 5 HD3 ILE 5 57.931 21.239 -8.310 35 H PHE 6 HN PHE 6 56.174 17.933 -3.781 36 HA PHE 6 HA PHE 6 54.985 18.167 -1.153 37 HB2 PHE 6 HB2 PHE 6 52.617 18.316 -1.868 38 HB3 PHE 6 HB1 PHE 6 53.525 19.789 -2.285 39 HD1 PHE 6 HD1 PHE 6 53.833 20.453 -4.579 40 HD2 PHE 6 HD2 PHE 6 52.175 16.578 -3.644 41 HE1 PHE 6 HE1 PHE 6 53.230 20.132 -6.974 42 HE2 PHE 6 HE2 PHE 6 51.574 16.258 -6.041 43 HZ PHE 6 HZ PHE 6 52.166 18.005 -7.716 44 H LYS 7 HN LYS 7 55.746 16.610 -4.070 45 HA LYS 7 HA LYS 7 54.072 14.347 -4.112 46 HB2 LYS 7 HB2 LYS 7 55.840 14.905 -5.798 47 HB3 LYS 7 HB1 LYS 7 57.072 14.377 -4.627 48 HG2 LYS 7 HG2 LYS 7 56.183 12.121 -4.598 49 HG3 LYS 7 HG1 LYS 7 54.776 12.612 -5.573 50 HD2 LYS 7 HD2 LYS 7 56.279 13.190 -7.457 51 HD3 LYS 7 HD1 LYS 7 57.686 12.690 -6.485 52 HE2 LYS 7 HE2 LYS 7 56.880 10.399 -6.383 53 HE3 LYS 7 HE1 LYS 7 55.344 10.856 -7.158 54 HZ1 LYS 7 HZ1 LYS 7 56.627 10.003 -8.882 55 HZ2 LYS 7 HZ2 LYS 7 58.057 10.743 -8.342 56 HZ3 LYS 7 HZ3 LYS 7 56.829 11.677 -9.052 57 H HIS 8 HN HIS 8 57.317 14.526 -2.564 58 HA HIS 8 HA HIS 8 56.732 12.113 -0.981 59 HB2 HIS 8 HB2 HIS 8 59.012 12.682 -1.900 60 HB3 HIS 8 HB1 HIS 8 59.077 14.041 -0.754 61 HD1 HIS 8 HD1 HIS 8 57.204 11.525 0.947 62 HD2 HIS 8 HD2 HIS 8 61.297 12.055 0.130 63 HE1 HIS 8 HE1 HIS 8 58.504 10.071 2.598 64 H GLY 9 HN GLY 9 54.892 14.273 -0.552 65 HA2 GLY 9 HA1 GLY 9 55.048 14.386 2.352 66 HA3 GLY 9 HA2 GLY 9 55.369 15.961 1.598 67 H ARG 10 HN ARG 10 53.294 13.756 -0.085 68 HA ARG 10 HA ARG 10 50.814 14.598 1.160 69 HB2 ARG 10 HB2 ARG 10 51.715 16.659 -0.214 70 HB3 ARG 10 HB1 ARG 10 51.190 15.728 -1.634 71 HG2 ARG 10 HG2 ARG 10 48.905 15.517 -0.549 72 HG3 ARG 10 HG1 ARG 10 49.469 16.627 0.722 73 HD2 ARG 10 HD2 ARG 10 48.310 17.957 -0.932 74 HD3 ARG 10 HD1 ARG 10 50.051 18.284 -1.112 75 HE ARG 10 HE ARG 10 49.925 17.325 -3.263 76 HH11 ARG 10 HH11 ARG 10 47.000 17.935 -3.343 77 HH12 ARG 10 HH12 ARG 10 46.311 16.389 -3.711 78 HH21 ARG 10 HH21 ARG 10 49.169 14.619 -2.858 79 HH22 ARG 10 HH22 ARG 10 47.540 14.511 -3.436 80 H HIS 11 HN HIS 11 52.511 12.346 -0.102 81 HA HIS 11 HA HIS 11 50.180 10.970 -1.318 82 HB2 HIS 11 HB2 HIS 11 52.819 11.418 -2.769 83 HB3 HIS 11 HB1 HIS 11 51.672 10.131 -3.210 84 HD1 HIS 11 HD1 HIS 11 49.461 10.795 -4.359 85 HD2 HIS 11 HD2 HIS 11 51.853 14.084 -3.282 86 HE1 HIS 11 HE1 HIS 11 48.485 12.857 -5.510 87 H ALA 12 HN ALA 12 50.175 8.901 -1.259 88 HA ALA 12 HA ALA 12 50.582 6.782 -0.514 89 HB1 ALA 12 HB1 ALA 12 52.936 7.375 -1.250 90 HB2 ALA 12 HB2 ALA 12 52.767 6.137 0.022 91 HB3 ALA 12 HB3 ALA 12 53.130 7.814 0.438 92 H ALA 13 HN ALA 13 51.696 9.580 1.324 93 HA ALA 13 HA ALA 13 51.212 8.329 3.926 94 HB1 ALA 13 HB1 ALA 13 50.909 10.663 4.694 95 HB2 ALA 13 HB2 ALA 13 50.819 11.240 3.013 96 HB3 ALA 13 HB3 ALA 13 52.356 10.619 3.661 97 H LYS 14 HN LYS 14 50.239 8.518 0.908 98 HA LYS 14 HA LYS 14 47.172 8.593 1.527 99 HB2 LYS 14 HB2 LYS 14 48.411 10.205 -0.125 100 HB3 LYS 14 HB1 LYS 14 48.692 8.715 -1.101 101 HG2 LYS 14 HG2 LYS 14 46.481 8.670 -1.833 102 HG3 LYS 14 HG1 LYS 14 45.821 9.196 -0.268 103 HD2 LYS 14 HD2 LYS 14 46.334 11.512 -0.748 104 HD3 LYS 14 HD1 LYS 14 47.273 11.063 -2.192 105 HE2 LYS 14 HE2 LYS 14 45.059 11.854 -2.881 106 HE3 LYS 14 HE1 LYS 14 45.186 10.108 -3.204 107 HZ1 LYS 14 HZ1 LYS 14 43.346 9.905 -1.999 108 HZ2 LYS 14 HZ2 LYS 14 43.420 11.509 -1.445 109 HZ3 LYS 14 HZ3 LYS 14 44.267 10.285 -0.627 110 H HIS 15 HN HIS 15 46.238 7.444 -0.636 111 HA HIS 15 HA HIS 15 45.550 5.283 -1.234 112 HB2 HIS 15 HB2 HIS 15 47.137 6.104 -2.975 113 HB3 HIS 15 HB1 HIS 15 48.455 5.257 -2.131 114 HD1 HIS 15 HD1 HIS 15 45.229 3.474 -1.935 115 HD2 HIS 15 HD2 HIS 15 48.496 3.593 -4.582 116 HE1 HIS 15 HE1 HIS 15 45.071 1.408 -3.433 117 H ILE 16 HN ILE 16 47.016 5.514 1.469 118 HA ILE 16 HA ILE 16 46.745 2.978 2.306 119 HB ILE 16 HB ILE 16 48.505 2.052 0.998 120 HG12 ILE 16 HG12 ILE 16 49.929 2.680 3.612 121 HG13 ILE 16 HG11 ILE 16 48.531 1.585 3.558 122 HG21 ILE 16 HG21 ILE 16 50.071 4.522 1.851 123 HG22 ILE 16 HG22 ILE 16 49.617 4.080 0.195 124 HG23 ILE 16 HG23 ILE 16 50.838 3.136 1.071 125 HD11 ILE 16 HD1 ILE 16 50.364 0.111 3.356 126 HD12 ILE 16 HD2 ILE 16 51.278 1.223 2.316 127 HD13 ILE 16 HD3 ILE 16 49.877 0.344 1.663 128 H GLY 17 HN GLY 17 48.661 5.675 2.456 129 HA2 GLY 17 HA1 GLY 17 48.793 5.630 5.400 130 HA3 GLY 17 HA2 GLY 17 49.328 6.949 4.340 131 H HIS 18 HN HIS 18 46.672 6.253 2.807 132 HA HIS 18 HA HIS 18 45.004 8.200 4.386 133 HB2 HIS 18 HB2 HIS 18 45.202 7.313 1.539 134 HB3 HIS 18 HB1 HIS 18 43.536 7.530 2.108 135 HD1 HIS 18 HD1 HIS 18 43.259 9.645 0.587 136 HD2 HIS 18 HD2 HIS 18 46.290 9.984 3.481 137 HE1 HIS 18 HE1 HIS 18 43.879 12.118 0.754 138 H ALA 19 HN ALA 19 44.888 4.870 3.001 139 HA ALA 19 HA ALA 19 43.634 3.594 5.119 140 HB1 ALA 19 HB1 ALA 19 41.648 5.205 3.517 141 HB2 ALA 19 HB2 ALA 19 41.669 4.851 5.263 142 HB3 ALA 19 HB3 ALA 19 41.150 3.602 4.111 143 H ALA 20 HN ALA 20 45.015 3.635 2.281 144 HA ALA 20 HA ALA 20 45.355 2.069 0.604 145 HB1 ALA 20 HB1 ALA 20 43.883 0.093 2.376 146 HB2 ALA 20 HB2 ALA 20 45.561 0.599 2.682 147 HB3 ALA 20 HB3 ALA 20 45.146 -0.239 1.168 148 H VAL 21 HN VAL 21 42.596 3.436 1.309 149 HA VAL 21 HA VAL 21 41.175 2.277 -1.047 150 HB VAL 21 HB VAL 21 39.885 2.688 1.692 151 HG11 VAL 21 HG11 VAL 21 38.225 3.250 0.090 152 HG12 VAL 21 HG12 VAL 21 37.922 1.528 0.400 153 HG13 VAL 21 HG13 VAL 21 38.794 2.026 -1.070 154 HG21 VAL 21 HG21 VAL 21 40.503 0.172 0.076 155 HG22 VAL 21 HG22 VAL 21 39.486 0.201 1.536 156 HG23 VAL 21 HG23 VAL 21 41.208 0.629 1.645 157 H ASN 22 HN ASN 22 42.301 4.784 0.873 158 HA ASN 22 HA ASN 22 42.370 7.057 0.112 159 HB2 ASN 22 HB2 ASN 22 40.857 6.483 -1.898 160 HB3 ASN 22 HB1 ASN 22 39.483 6.843 -0.819 161 HD21 ASN 22 HD21 ASN 22 38.890 9.013 -0.580 162 HD22 ASN 22 HD22 ASN 22 39.877 10.366 -1.141 163 H HIS 23 HN HIS 23 39.591 5.457 1.566 164 HA HIS 23 HA HIS 23 39.834 6.974 4.002 165 HB2 HIS 23 HB2 HIS 23 38.830 8.774 2.638 166 HB3 HIS 23 HB1 HIS 23 37.479 7.698 2.210 167 HD1 HIS 23 HD1 HIS 23 36.026 6.765 4.323 168 HD2 HIS 23 HD2 HIS 23 38.533 10.048 5.102 169 HE1 HIS 23 HE1 HIS 23 35.212 7.848 6.489 170 H TYR 24 HN TYR 24 39.705 5.035 5.046 171 HA TYR 24 HA TYR 24 37.018 3.957 5.423 172 HB2 TYR 24 HB2 TYR 24 37.744 2.846 3.283 173 HB3 TYR 24 HB1 TYR 24 39.102 2.122 4.177 174 HD1 TYR 24 HD1 TYR 24 38.757 0.277 5.704 175 HD2 TYR 24 HD2 TYR 24 35.383 2.286 3.908 176 HE1 TYR 24 HE1 TYR 24 37.248 -1.533 6.512 177 HE2 TYR 24 HE2 TYR 24 33.875 0.474 4.717 178 HH TYR 24 HH TYR 24 34.953 -2.037 6.880 179 H LEU 25 HN LEU 25 40.067 4.721 6.402 180 HA LEU 25 HA LEU 25 41.342 4.200 8.275 181 HB2 LEU 25 HB2 LEU 25 38.755 3.261 9.555 182 HB3 LEU 25 HB1 LEU 25 40.142 4.075 10.317 183 HG LEU 25 HG LEU 25 38.198 5.295 8.305 184 HD11 LEU 25 HD11 LEU 25 37.548 6.725 10.192 185 HD12 LEU 25 HD12 LEU 25 38.752 5.933 11.236 186 HD13 LEU 25 HD13 LEU 25 37.349 5.014 10.639 187 HD21 LEU 25 HD21 LEU 25 40.334 6.285 7.852 188 HD22 LEU 25 HD22 LEU 25 40.766 6.333 9.580 189 HD23 LEU 25 HD23 LEU 25 39.516 7.429 8.942 Start of MODEL 66 1 H1 GLY 1 HT1 GLY 1 63.390 23.551 -1.628 2 H2 GLY 1 HT2 GLY 1 64.997 23.089 -1.323 3 H3 GLY 1 HT3 GLY 1 64.454 24.637 -0.879 4 HA2 GLY 1 HA1 GLY 1 64.414 23.592 1.100 5 HA3 GLY 1 HA2 GLY 1 62.751 23.382 0.517 6 H TRP 2 HN TRP 2 62.075 21.455 1.187 7 HA TRP 2 HA TRP 2 63.728 19.223 1.746 8 HB2 TRP 2 HB2 TRP 2 60.808 19.315 0.892 9 HB3 TRP 2 HB1 TRP 2 61.621 17.893 1.591 10 HD1 TRP 2 HD1 TRP 2 62.221 17.947 4.152 11 HE1 TRP 2 HE1 TRP 2 61.495 19.462 6.137 12 HE3 TRP 2 HE3 TRP 2 60.138 21.802 1.504 13 HZ2 TRP 2 HZ2 TRP 2 60.186 22.002 6.492 14 HZ3 TRP 2 HZ3 TRP 2 59.157 23.762 2.686 15 HH2 TRP 2 HH2 TRP 2 59.179 23.865 5.176 16 H GLY 3 HN GLY 3 64.259 17.346 0.633 17 HA2 GLY 3 HA1 GLY 3 64.823 17.695 -2.160 18 HA3 GLY 3 HA2 GLY 3 64.981 16.187 -1.235 19 H SER 4 HN SER 4 62.186 16.143 -0.387 20 HA SER 4 HA SER 4 61.109 14.821 -2.768 21 HB2 SER 4 HB2 SER 4 59.983 15.348 0.006 22 HB3 SER 4 HB1 SER 4 59.120 14.442 -1.256 23 HG SER 4 HG SER 4 61.747 13.683 -0.840 24 H ILE 5 HN ILE 5 60.297 15.970 -4.399 25 HA ILE 5 HA ILE 5 59.283 18.659 -4.068 26 HB ILE 5 HB ILE 5 58.679 16.793 -6.401 27 HG12 ILE 5 HG12 ILE 5 61.177 18.466 -5.860 28 HG13 ILE 5 HG11 ILE 5 61.096 16.689 -5.902 29 HG21 ILE 5 HG21 ILE 5 59.208 19.793 -6.375 30 HG22 ILE 5 HG22 ILE 5 57.579 19.112 -6.159 31 HG23 ILE 5 HG23 ILE 5 58.472 18.817 -7.669 32 HD11 ILE 5 HD1 ILE 5 60.770 18.655 -8.193 33 HD12 ILE 5 HD2 ILE 5 60.152 16.988 -8.314 34 HD13 ILE 5 HD3 ILE 5 61.890 17.280 -8.061 35 H PHE 6 HN PHE 6 57.807 18.154 -2.244 36 HA PHE 6 HA PHE 6 55.672 17.794 -1.407 37 HB2 PHE 6 HB2 PHE 6 55.007 18.451 -4.302 38 HB3 PHE 6 HB1 PHE 6 53.789 18.311 -3.011 39 HD1 PHE 6 HD1 PHE 6 53.633 19.973 -1.229 40 HD2 PHE 6 HD2 PHE 6 56.679 20.270 -4.272 41 HE1 PHE 6 HE1 PHE 6 54.120 22.309 -0.514 42 HE2 PHE 6 HE2 PHE 6 57.166 22.607 -3.556 43 HZ PHE 6 HZ PHE 6 55.846 23.645 -1.715 44 H LYS 7 HN LYS 7 57.229 15.577 -2.995 45 HA LYS 7 HA LYS 7 55.131 13.804 -3.944 46 HB2 LYS 7 HB2 LYS 7 58.054 13.409 -3.211 47 HB3 LYS 7 HB1 LYS 7 57.028 12.072 -3.777 48 HG2 LYS 7 HG2 LYS 7 57.134 14.643 -5.396 49 HG3 LYS 7 HG1 LYS 7 58.478 13.488 -5.517 50 HD2 LYS 7 HD2 LYS 7 56.852 11.682 -6.102 51 HD3 LYS 7 HD1 LYS 7 55.535 12.876 -6.056 52 HE2 LYS 7 HE2 LYS 7 57.989 13.086 -7.850 53 HE3 LYS 7 HE1 LYS 7 56.405 12.466 -8.374 54 HZ1 LYS 7 HZ1 LYS 7 56.827 15.158 -7.179 55 HZ2 LYS 7 HZ2 LYS 7 55.406 14.561 -7.892 56 HZ3 LYS 7 HZ3 LYS 7 56.778 14.861 -8.848 57 H HIS 8 HN HIS 8 57.347 13.566 -1.118 58 HA HIS 8 HA HIS 8 55.572 11.606 0.164 59 HB2 HIS 8 HB2 HIS 8 58.003 13.068 1.267 60 HB3 HIS 8 HB1 HIS 8 57.231 11.619 1.956 61 HD1 HIS 8 HD1 HIS 8 57.010 11.246 -1.605 62 HD2 HIS 8 HD2 HIS 8 60.107 10.751 1.198 63 HE1 HIS 8 HE1 HIS 8 58.782 9.754 -2.684 64 H GLY 9 HN GLY 9 53.806 13.419 -0.133 65 HA2 GLY 9 HA1 GLY 9 53.225 14.353 2.547 66 HA3 GLY 9 HA2 GLY 9 53.672 15.694 1.473 67 H ARG 10 HN ARG 10 52.551 14.020 -0.836 68 HA ARG 10 HA ARG 10 49.621 14.508 -0.283 69 HB2 ARG 10 HB2 ARG 10 51.126 15.035 -2.880 70 HB3 ARG 10 HB1 ARG 10 49.395 15.319 -2.576 71 HG2 ARG 10 HG2 ARG 10 49.936 16.982 -0.853 72 HG3 ARG 10 HG1 ARG 10 51.675 16.663 -1.062 73 HD2 ARG 10 HD2 ARG 10 51.507 17.390 -3.438 74 HD3 ARG 10 HD1 ARG 10 49.782 17.754 -3.191 75 HE ARG 10 HE ARG 10 51.958 19.471 -2.442 76 HH11 ARG 10 HH11 ARG 10 51.048 18.724 0.279 77 HH12 ARG 10 HH12 ARG 10 49.769 19.853 0.575 78 HH21 ARG 10 HH21 ARG 10 49.396 20.715 -2.762 79 HH22 ARG 10 HH22 ARG 10 48.834 20.981 -1.146 80 H HIS 11 HN HIS 11 51.849 12.195 -0.667 81 HA HIS 11 HA HIS 11 49.863 10.314 -1.776 82 HB2 HIS 11 HB2 HIS 11 52.601 10.570 -3.079 83 HB3 HIS 11 HB1 HIS 11 51.303 9.435 -3.523 84 HD1 HIS 11 HD1 HIS 11 52.302 13.087 -3.706 85 HD2 HIS 11 HD2 HIS 11 49.216 10.573 -5.065 86 HE1 HIS 11 HE1 HIS 11 50.906 14.429 -5.373 87 H ALA 12 HN ALA 12 50.107 8.322 -1.313 88 HA ALA 12 HA ALA 12 50.718 6.448 -0.162 89 HB1 ALA 12 HB1 ALA 12 53.048 7.967 0.693 90 HB2 ALA 12 HB2 ALA 12 53.022 7.197 -0.897 91 HB3 ALA 12 HB3 ALA 12 52.931 6.221 0.590 92 H ALA 13 HN ALA 13 51.350 9.659 1.150 93 HA ALA 13 HA ALA 13 50.831 8.862 3.919 94 HB1 ALA 13 HB1 ALA 13 49.834 11.325 3.864 95 HB2 ALA 13 HB2 ALA 13 50.653 11.441 2.288 96 HB3 ALA 13 HB3 ALA 13 51.600 11.137 3.765 97 H LYS 14 HN LYS 14 50.065 8.349 0.881 98 HA LYS 14 HA LYS 14 46.974 8.135 1.331 99 HB2 LYS 14 HB2 LYS 14 48.120 9.570 -0.537 100 HB3 LYS 14 HB1 LYS 14 48.660 7.980 -1.196 101 HG2 LYS 14 HG2 LYS 14 46.541 7.502 -2.028 102 HG3 LYS 14 HG1 LYS 14 45.700 8.198 -0.626 103 HD2 LYS 14 HD2 LYS 14 46.095 10.474 -1.505 104 HD3 LYS 14 HD1 LYS 14 46.977 9.791 -2.893 105 HE2 LYS 14 HE2 LYS 14 44.892 8.484 -3.477 106 HE3 LYS 14 HE1 LYS 14 44.037 9.382 -2.200 107 HZ1 LYS 14 HZ1 LYS 14 44.955 10.278 -4.812 108 HZ2 LYS 14 HZ2 LYS 14 45.194 11.378 -3.537 109 HZ3 LYS 14 HZ3 LYS 14 43.634 10.798 -3.885 110 H HIS 15 HN HIS 15 46.349 6.499 -0.624 111 HA HIS 15 HA HIS 15 45.982 4.196 -0.824 112 HB2 HIS 15 HB2 HIS 15 48.886 4.561 -1.625 113 HB3 HIS 15 HB1 HIS 15 47.879 3.158 -2.053 114 HD1 HIS 15 HD1 HIS 15 48.785 6.534 -3.166 115 HD2 HIS 15 HD2 HIS 15 45.511 3.943 -3.669 116 HE1 HIS 15 HE1 HIS 15 47.402 7.424 -5.122 117 H ILE 16 HN ILE 16 47.097 5.075 1.875 118 HA ILE 16 HA ILE 16 47.158 2.747 3.176 119 HB ILE 16 HB ILE 16 49.111 1.846 2.093 120 HG12 ILE 16 HG12 ILE 16 50.159 3.077 4.677 121 HG13 ILE 16 HG11 ILE 16 49.050 1.692 4.626 122 HG21 ILE 16 HG21 ILE 16 50.287 4.613 2.581 123 HG22 ILE 16 HG22 ILE 16 50.050 3.828 1.008 124 HG23 ILE 16 HG23 ILE 16 51.292 3.233 2.126 125 HD11 ILE 16 HD1 ILE 16 51.966 1.832 3.854 126 HD12 ILE 16 HD2 ILE 16 50.927 0.701 2.957 127 HD13 ILE 16 HD3 ILE 16 51.086 0.557 4.722 128 H GLY 17 HN GLY 17 48.599 5.706 2.814 129 HA2 GLY 17 HA1 GLY 17 48.594 6.206 5.737 130 HA3 GLY 17 HA2 GLY 17 49.066 7.356 4.472 131 H HIS 18 HN HIS 18 46.622 6.013 2.985 132 HA HIS 18 HA HIS 18 44.627 8.012 4.042 133 HB2 HIS 18 HB2 HIS 18 45.153 6.670 1.426 134 HB3 HIS 18 HB1 HIS 18 43.432 6.795 1.837 135 HD1 HIS 18 HD1 HIS 18 43.101 8.566 -0.075 136 HD2 HIS 18 HD2 HIS 18 45.794 9.751 2.930 137 HE1 HIS 18 HE1 HIS 18 43.460 11.083 -0.322 138 H ALA 19 HN ALA 19 45.120 4.456 3.612 139 HA ALA 19 HA ALA 19 42.905 4.104 5.604 140 HB1 ALA 19 HB1 ALA 19 41.710 2.462 4.200 141 HB2 ALA 19 HB2 ALA 19 42.773 2.872 2.835 142 HB3 ALA 19 HB3 ALA 19 41.677 4.099 3.511 143 H ALA 20 HN ALA 20 45.857 3.588 5.389 144 HA ALA 20 HA ALA 20 47.298 1.937 6.141 145 HB1 ALA 20 HB1 ALA 20 46.497 0.385 7.728 146 HB2 ALA 20 HB2 ALA 20 44.874 0.348 7.003 147 HB3 ALA 20 HB3 ALA 20 45.425 1.796 7.879 148 H VAL 21 HN VAL 21 45.005 1.339 3.700 149 HA VAL 21 HA VAL 21 46.671 -0.899 2.683 150 HB VAL 21 HB VAL 21 43.655 -1.210 3.051 151 HG11 VAL 21 HG11 VAL 21 44.361 -2.296 1.015 152 HG12 VAL 21 HG12 VAL 21 44.219 -3.572 2.244 153 HG13 VAL 21 HG13 VAL 21 45.822 -2.945 1.794 154 HG21 VAL 21 HG21 VAL 21 46.047 -2.484 4.452 155 HG22 VAL 21 HG22 VAL 21 44.399 -3.148 4.535 156 HG23 VAL 21 HG23 VAL 21 44.738 -1.535 5.195 157 H ASN 22 HN ASN 22 44.280 1.656 2.250 158 HA ASN 22 HA ASN 22 45.088 2.068 -0.470 159 HB2 ASN 22 HB2 ASN 22 42.764 1.399 -1.471 160 HB3 ASN 22 HB1 ASN 22 43.968 0.121 -1.182 161 HD21 ASN 22 HD21 ASN 22 42.036 -1.375 -1.049 162 HD22 ASN 22 HD22 ASN 22 41.161 -1.463 0.483 163 H HIS 23 HN HIS 23 41.662 2.119 0.336 164 HA HIS 23 HA HIS 23 41.725 4.895 1.306 165 HB2 HIS 23 HB2 HIS 23 41.992 5.158 -1.165 166 HB3 HIS 23 HB1 HIS 23 40.462 4.279 -1.395 167 HD1 HIS 23 HD1 HIS 23 38.937 6.136 -2.192 168 HD2 HIS 23 HD2 HIS 23 41.090 7.187 1.263 169 HE1 HIS 23 HE1 HIS 23 37.979 8.346 -1.341 170 H TYR 24 HN TYR 24 38.908 4.571 -0.396 171 HA TYR 24 HA TYR 24 36.729 4.238 0.343 172 HB2 TYR 24 HB2 TYR 24 37.968 1.696 1.471 173 HB3 TYR 24 HB1 TYR 24 36.241 1.966 1.142 174 HD1 TYR 24 HD1 TYR 24 39.543 1.271 -0.330 175 HD2 TYR 24 HD2 TYR 24 35.426 2.237 -1.195 176 HE1 TYR 24 HE1 TYR 24 39.880 0.583 -2.700 177 HE2 TYR 24 HE2 TYR 24 35.763 1.549 -3.566 178 HH TYR 24 HH TYR 24 38.436 1.267 -5.090 179 H LEU 25 HN LEU 25 38.865 5.406 2.278 180 HA LEU 25 HA LEU 25 38.923 6.121 4.488 181 HB2 LEU 25 HB2 LEU 25 35.908 5.768 4.518 182 HB3 LEU 25 HB1 LEU 25 36.894 7.008 5.331 183 HG LEU 25 HG LEU 25 36.448 6.721 2.326 184 HD11 LEU 25 HD11 LEU 25 35.345 8.933 2.593 185 HD12 LEU 25 HD12 LEU 25 35.623 8.852 4.349 186 HD13 LEU 25 HD13 LEU 25 34.538 7.679 3.563 187 HD21 LEU 25 HD21 LEU 25 38.246 8.548 3.975 188 HD22 LEU 25 HD22 LEU 25 37.715 8.973 2.329 189 HD23 LEU 25 HD23 LEU 25 38.696 7.514 2.598 Start of MODEL 67 1 H1 GLY 1 HT1 GLY 1 68.879 17.198 -6.587 2 H2 GLY 1 HT2 GLY 1 69.338 15.940 -7.632 3 H3 GLY 1 HT3 GLY 1 69.733 15.866 -5.981 4 HA2 GLY 1 HA1 GLY 1 67.845 14.457 -6.739 5 HA3 GLY 1 HA2 GLY 1 67.578 15.499 -5.327 6 H TRP 2 HN TRP 2 65.504 14.445 -6.923 7 HA TRP 2 HA TRP 2 64.631 16.428 -8.860 8 HB2 TRP 2 HB2 TRP 2 63.145 14.218 -7.386 9 HB3 TRP 2 HB1 TRP 2 62.447 15.203 -8.696 10 HD1 TRP 2 HD1 TRP 2 63.226 14.729 -11.143 11 HE1 TRP 2 HE1 TRP 2 64.632 12.855 -12.270 12 HE3 TRP 2 HE3 TRP 2 65.213 12.576 -6.944 13 HZ2 TRP 2 HZ2 TRP 2 66.375 10.722 -11.431 14 HZ3 TRP 2 HZ3 TRP 2 66.746 10.622 -7.131 15 HH2 TRP 2 HH2 TRP 2 67.328 9.695 -9.369 16 H GLY 3 HN GLY 3 62.721 17.770 -8.674 17 HA2 GLY 3 HA1 GLY 3 62.795 19.378 -6.292 18 HA3 GLY 3 HA2 GLY 3 61.619 19.509 -7.614 19 H SER 4 HN SER 4 61.065 16.501 -7.123 20 HA SER 4 HA SER 4 59.327 15.378 -6.063 21 HB2 SER 4 HB2 SER 4 59.482 15.255 -3.660 22 HB3 SER 4 HB1 SER 4 61.135 15.410 -4.295 23 HG SER 4 HG SER 4 59.489 17.357 -3.056 24 H ILE 5 HN ILE 5 57.920 16.919 -7.336 25 HA ILE 5 HA ILE 5 56.725 19.201 -6.114 26 HB ILE 5 HB ILE 5 55.355 17.277 -8.038 27 HG12 ILE 5 HG12 ILE 5 57.724 18.126 -8.736 28 HG13 ILE 5 HG11 ILE 5 56.389 18.355 -9.879 29 HG21 ILE 5 HG21 ILE 5 53.801 18.869 -7.152 30 HG22 ILE 5 HG22 ILE 5 54.243 19.448 -8.775 31 HG23 ILE 5 HG23 ILE 5 54.957 20.208 -7.333 32 HD11 ILE 5 HD1 ILE 5 57.918 20.371 -9.566 33 HD12 ILE 5 HD2 ILE 5 57.273 20.519 -7.918 34 HD13 ILE 5 HD3 ILE 5 56.188 20.692 -9.316 35 H PHE 6 HN PHE 6 56.484 18.494 -3.893 36 HA PHE 6 HA PHE 6 55.213 17.715 -2.118 37 HB2 PHE 6 HB2 PHE 6 53.005 17.962 -4.199 38 HB3 PHE 6 HB1 PHE 6 52.742 17.750 -2.451 39 HD1 PHE 6 HD1 PHE 6 53.449 19.516 -0.843 40 HD2 PHE 6 HD2 PHE 6 53.758 20.084 -5.110 41 HE1 PHE 6 HE1 PHE 6 53.724 21.968 -0.497 42 HE2 PHE 6 HE2 PHE 6 54.033 22.536 -4.764 43 HZ PHE 6 HZ PHE 6 53.941 23.485 -2.463 44 H LYS 7 HN LYS 7 56.221 15.799 -4.380 45 HA LYS 7 HA LYS 7 54.423 13.573 -4.445 46 HB2 LYS 7 HB2 LYS 7 57.460 13.665 -4.662 47 HB3 LYS 7 HB1 LYS 7 56.446 12.262 -5.079 48 HG2 LYS 7 HG2 LYS 7 55.204 13.712 -6.717 49 HG3 LYS 7 HG1 LYS 7 56.356 15.024 -6.368 50 HD2 LYS 7 HD2 LYS 7 58.230 13.477 -7.035 51 HD3 LYS 7 HD1 LYS 7 57.007 12.281 -7.529 52 HE2 LYS 7 HE2 LYS 7 56.097 13.797 -9.193 53 HE3 LYS 7 HE1 LYS 7 57.129 15.127 -8.613 54 HZ1 LYS 7 HZ1 LYS 7 58.826 13.008 -9.145 55 HZ2 LYS 7 HZ2 LYS 7 58.648 14.434 -10.052 56 HZ3 LYS 7 HZ3 LYS 7 57.746 13.050 -10.452 57 H HIS 8 HN HIS 8 57.532 13.765 -2.649 58 HA HIS 8 HA HIS 8 56.592 11.693 -0.777 59 HB2 HIS 8 HB2 HIS 8 58.963 11.857 -1.604 60 HB3 HIS 8 HB1 HIS 8 59.128 13.373 -0.685 61 HD1 HIS 8 HD1 HIS 8 60.431 12.861 1.384 62 HD2 HIS 8 HD2 HIS 8 57.590 9.879 0.525 63 HE1 HIS 8 HE1 HIS 8 60.502 11.168 3.296 64 H GLY 9 HN GLY 9 54.737 13.503 -0.438 65 HA2 GLY 9 HA1 GLY 9 54.937 14.250 2.292 66 HA3 GLY 9 HA2 GLY 9 55.325 15.679 1.315 67 H ARG 10 HN ARG 10 53.221 13.441 -0.209 68 HA ARG 10 HA ARG 10 50.738 14.465 0.919 69 HB2 ARG 10 HB2 ARG 10 51.716 16.369 -0.586 70 HB3 ARG 10 HB1 ARG 10 51.259 15.324 -1.950 71 HG2 ARG 10 HG2 ARG 10 48.918 15.291 -1.165 72 HG3 ARG 10 HG1 ARG 10 49.362 16.270 0.253 73 HD2 ARG 10 HD2 ARG 10 50.221 18.032 -1.393 74 HD3 ARG 10 HD1 ARG 10 49.430 17.088 -2.678 75 HE ARG 10 HE ARG 10 47.575 17.615 -0.527 76 HH11 ARG 10 HH11 ARG 10 46.754 17.846 -3.339 77 HH12 ARG 10 HH12 ARG 10 46.625 19.556 -3.575 78 HH21 ARG 10 HH21 ARG 10 48.477 20.352 -0.754 79 HH22 ARG 10 HH22 ARG 10 47.600 20.976 -2.112 80 H HIS 11 HN HIS 11 52.549 12.181 -0.527 81 HA HIS 11 HA HIS 11 50.119 10.712 -1.481 82 HB2 HIS 11 HB2 HIS 11 52.733 11.016 -3.012 83 HB3 HIS 11 HB1 HIS 11 51.494 9.793 -3.385 84 HD1 HIS 11 HD1 HIS 11 49.068 11.840 -2.634 85 HD2 HIS 11 HD2 HIS 11 52.125 12.398 -5.467 86 HE1 HIS 11 HE1 HIS 11 48.244 13.583 -4.311 87 H ALA 12 HN ALA 12 50.100 8.647 -1.341 88 HA ALA 12 HA ALA 12 50.502 6.555 -0.513 89 HB1 ALA 12 HB1 ALA 12 52.702 5.915 -0.013 90 HB2 ALA 12 HB2 ALA 12 53.088 7.603 0.316 91 HB3 ALA 12 HB3 ALA 12 52.832 7.078 -1.350 92 H ALA 13 HN ALA 13 51.690 9.417 1.174 93 HA ALA 13 HA ALA 13 51.263 8.276 3.838 94 HB1 ALA 13 HB1 ALA 13 50.792 10.738 4.392 95 HB2 ALA 13 HB2 ALA 13 51.110 11.123 2.683 96 HB3 ALA 13 HB3 ALA 13 52.413 10.471 3.705 97 H LYS 14 HN LYS 14 50.215 8.349 0.837 98 HA LYS 14 HA LYS 14 47.170 8.486 1.534 99 HB2 LYS 14 HB2 LYS 14 48.371 10.015 -0.216 100 HB3 LYS 14 HB1 LYS 14 48.620 8.486 -1.136 101 HG2 LYS 14 HG2 LYS 14 46.396 8.425 -1.816 102 HG3 LYS 14 HG1 LYS 14 45.775 9.009 -0.254 103 HD2 LYS 14 HD2 LYS 14 46.237 11.301 -0.827 104 HD3 LYS 14 HD1 LYS 14 47.198 10.821 -2.247 105 HE2 LYS 14 HE2 LYS 14 44.237 10.172 -1.929 106 HE3 LYS 14 HE1 LYS 14 44.840 11.616 -2.776 107 HZ1 LYS 14 HZ1 LYS 14 46.226 9.313 -3.666 108 HZ2 LYS 14 HZ2 LYS 14 45.263 10.392 -4.558 109 HZ3 LYS 14 HZ3 LYS 14 44.557 9.047 -3.797 110 H HIS 15 HN HIS 15 46.167 7.259 -0.562 111 HA HIS 15 HA HIS 15 45.437 5.087 -1.043 112 HB2 HIS 15 HB2 HIS 15 47.029 5.838 -2.843 113 HB3 HIS 15 HB1 HIS 15 48.313 4.927 -2.015 114 HD1 HIS 15 HD1 HIS 15 48.573 2.553 -2.734 115 HD2 HIS 15 HD2 HIS 15 44.665 3.968 -3.375 116 HE1 HIS 15 HE1 HIS 15 47.276 0.697 -3.918 117 H ILE 16 HN ILE 16 46.943 5.416 1.606 118 HA ILE 16 HA ILE 16 46.682 2.924 2.558 119 HB ILE 16 HB ILE 16 48.403 1.930 1.254 120 HG12 ILE 16 HG12 ILE 16 49.863 2.646 3.826 121 HG13 ILE 16 HG11 ILE 16 48.467 1.547 3.818 122 HG21 ILE 16 HG21 ILE 16 49.532 3.910 0.353 123 HG22 ILE 16 HG22 ILE 16 50.752 2.988 1.252 124 HG23 ILE 16 HG23 ILE 16 50.011 4.412 1.986 125 HD11 ILE 16 HD1 ILE 16 50.286 0.059 3.643 126 HD12 ILE 16 HD2 ILE 16 51.213 1.146 2.590 127 HD13 ILE 16 HD3 ILE 16 49.816 0.258 1.941 128 H GLY 17 HN GLY 17 48.610 5.617 2.560 129 HA2 GLY 17 HA1 GLY 17 48.799 5.681 5.501 130 HA3 GLY 17 HA2 GLY 17 49.316 6.959 4.383 131 H HIS 18 HN HIS 18 46.637 6.217 2.924 132 HA HIS 18 HA HIS 18 44.982 8.183 4.515 133 HB2 HIS 18 HB2 HIS 18 45.136 7.335 1.640 134 HB3 HIS 18 HB1 HIS 18 43.504 7.685 2.243 135 HD1 HIS 18 HD1 HIS 18 46.384 9.559 3.765 136 HD2 HIS 18 HD2 HIS 18 43.450 10.172 0.816 137 HE1 HIS 18 HE1 HIS 18 46.414 12.043 3.165 138 H ALA 19 HN ALA 19 44.764 4.874 3.025 139 HA ALA 19 HA ALA 19 43.377 3.705 5.178 140 HB1 ALA 19 HB1 ALA 19 40.980 3.717 4.000 141 HB2 ALA 19 HB2 ALA 19 41.564 5.255 3.325 142 HB3 ALA 19 HB3 ALA 19 41.455 5.038 5.089 143 H ALA 20 HN ALA 20 44.971 3.516 2.452 144 HA ALA 20 HA ALA 20 45.371 1.822 0.913 145 HB1 ALA 20 HB1 ALA 20 45.324 0.488 3.098 146 HB2 ALA 20 HB2 ALA 20 45.020 -0.426 1.601 147 HB3 ALA 20 HB3 ALA 20 43.662 0.024 2.660 148 H VAL 21 HN VAL 21 42.619 3.340 1.317 149 HA VAL 21 HA VAL 21 41.366 2.129 -1.101 150 HB VAL 21 HB VAL 21 39.845 2.671 1.495 151 HG11 VAL 21 HG11 VAL 21 38.991 1.939 -1.333 152 HG12 VAL 21 HG12 VAL 21 38.370 3.234 -0.282 153 HG13 VAL 21 HG13 VAL 21 37.968 1.541 0.068 154 HG21 VAL 21 HG21 VAL 21 40.540 0.090 0.016 155 HG22 VAL 21 HG22 VAL 21 39.378 0.189 1.361 156 HG23 VAL 21 HG23 VAL 21 41.090 0.574 1.637 157 H ASN 22 HN ASN 22 42.392 4.661 0.828 158 HA ASN 22 HA ASN 22 42.634 6.896 0.001 159 HB2 ASN 22 HB2 ASN 22 41.303 6.301 -2.125 160 HB3 ASN 22 HB1 ASN 22 39.845 6.756 -1.202 161 HD21 ASN 22 HD21 ASN 22 42.712 7.979 -2.862 162 HD22 ASN 22 HD22 ASN 22 42.346 9.689 -2.618 163 H HIS 23 HN HIS 23 39.645 5.494 1.245 164 HA HIS 23 HA HIS 23 39.739 7.211 3.583 165 HB2 HIS 23 HB2 HIS 23 38.826 8.845 1.963 166 HB3 HIS 23 HB1 HIS 23 37.506 7.715 1.574 167 HD1 HIS 23 HD1 HIS 23 35.546 7.536 3.197 168 HD2 HIS 23 HD2 HIS 23 38.689 9.920 4.654 169 HE1 HIS 23 HE1 HIS 23 34.702 8.697 5.311 170 H TYR 24 HN TYR 24 39.599 5.314 4.735 171 HA TYR 24 HA TYR 24 36.888 4.275 5.085 172 HB2 TYR 24 HB2 TYR 24 37.718 3.004 3.066 173 HB3 TYR 24 HB1 TYR 24 39.016 2.340 4.087 174 HD1 TYR 24 HD1 TYR 24 38.579 0.569 5.657 175 HD2 TYR 24 HD2 TYR 24 35.306 2.563 3.674 176 HE1 TYR 24 HE1 TYR 24 37.004 -1.160 6.519 177 HE2 TYR 24 HE2 TYR 24 33.731 0.836 4.534 178 HH TYR 24 HH TYR 24 34.883 -1.877 6.554 179 H LEU 25 HN LEU 25 39.888 5.122 6.133 180 HA LEU 25 HA LEU 25 41.031 4.826 8.124 181 HB2 LEU 25 HB2 LEU 25 38.542 5.366 8.839 182 HB3 LEU 25 HB1 LEU 25 38.516 3.671 9.372 183 HG LEU 25 HG LEU 25 40.502 5.816 10.261 184 HD11 LEU 25 HD11 LEU 25 38.261 4.356 11.730 185 HD12 LEU 25 HD12 LEU 25 38.240 6.062 11.226 186 HD13 LEU 25 HD13 LEU 25 39.395 5.513 12.464 187 HD21 LEU 25 HD21 LEU 25 40.298 2.826 10.800 188 HD22 LEU 25 HD22 LEU 25 41.089 3.922 11.958 189 HD23 LEU 25 HD23 LEU 25 41.722 3.772 10.305 Start of MODEL 68 1 H1 GLY 1 HT1 GLY 1 70.682 18.158 -3.027 2 H2 GLY 1 HT2 GLY 1 71.414 19.187 -4.165 3 H3 GLY 1 HT3 GLY 1 71.591 17.502 -4.297 4 HA2 GLY 1 HA1 GLY 1 69.610 19.171 -5.343 5 HA3 GLY 1 HA2 GLY 1 69.882 17.438 -5.610 6 H TRP 2 HN TRP 2 67.887 16.592 -5.471 7 HA TRP 2 HA TRP 2 66.643 16.529 -2.805 8 HB2 TRP 2 HB2 TRP 2 65.242 17.862 -5.155 9 HB3 TRP 2 HB1 TRP 2 64.418 17.321 -3.674 10 HD1 TRP 2 HD1 TRP 2 66.200 20.216 -5.101 11 HE1 TRP 2 HE1 TRP 2 66.744 21.995 -3.284 12 HE3 TRP 2 HE3 TRP 2 65.227 17.425 -0.922 13 HZ2 TRP 2 HZ2 TRP 2 66.746 22.152 -0.409 14 HZ3 TRP 2 HZ3 TRP 2 65.507 18.409 1.348 15 HH2 TRP 2 HH2 TRP 2 66.265 20.768 1.608 16 H GLY 3 HN GLY 3 64.270 15.441 -3.250 17 HA2 GLY 3 HA1 GLY 3 64.317 13.478 -5.412 18 HA3 GLY 3 HA2 GLY 3 64.710 12.779 -3.829 19 H SER 4 HN SER 4 62.574 15.541 -4.135 20 HA SER 4 HA SER 4 60.110 14.038 -4.292 21 HB2 SER 4 HB2 SER 4 59.345 14.162 -2.022 22 HB3 SER 4 HB1 SER 4 60.956 13.411 -1.974 23 HG SER 4 HG SER 4 60.486 15.222 -0.461 24 H ILE 5 HN ILE 5 59.579 15.635 -5.778 25 HA ILE 5 HA ILE 5 59.770 18.451 -5.133 26 HB ILE 5 HB ILE 5 59.685 17.456 -7.475 27 HG12 ILE 5 HG12 ILE 5 57.709 19.644 -6.694 28 HG13 ILE 5 HG11 ILE 5 59.418 19.855 -7.128 29 HG21 ILE 5 HG21 ILE 5 57.596 16.792 -8.428 30 HG22 ILE 5 HG22 ILE 5 56.677 17.397 -7.029 31 HG23 ILE 5 HG23 ILE 5 57.692 15.945 -6.867 32 HD11 ILE 5 HD1 ILE 5 58.791 18.749 -9.391 33 HD12 ILE 5 HD2 ILE 5 58.231 20.414 -9.111 34 HD13 ILE 5 HD3 ILE 5 57.101 19.054 -8.921 35 H PHE 6 HN PHE 6 57.180 16.011 -4.987 36 HA PHE 6 HA PHE 6 55.798 17.551 -2.926 37 HB2 PHE 6 HB2 PHE 6 54.618 17.336 -5.722 38 HB3 PHE 6 HB1 PHE 6 53.597 17.559 -4.283 39 HD1 PHE 6 HD1 PHE 6 54.523 19.488 -2.601 40 HD2 PHE 6 HD2 PHE 6 55.277 19.302 -6.853 41 HE1 PHE 6 HE1 PHE 6 54.975 21.934 -2.632 42 HE2 PHE 6 HE2 PHE 6 55.729 21.749 -6.876 43 HZ PHE 6 HZ PHE 6 55.516 23.075 -4.780 44 H LYS 7 HN LYS 7 56.590 14.765 -4.646 45 HA LYS 7 HA LYS 7 54.462 12.991 -4.306 46 HB2 LYS 7 HB2 LYS 7 57.342 12.293 -3.629 47 HB3 LYS 7 HB1 LYS 7 56.078 11.211 -4.257 48 HG2 LYS 7 HG2 LYS 7 57.365 13.555 -5.729 49 HG3 LYS 7 HG1 LYS 7 57.583 11.827 -6.079 50 HD2 LYS 7 HD2 LYS 7 54.986 11.776 -6.390 51 HD3 LYS 7 HD1 LYS 7 55.112 13.549 -6.491 52 HE2 LYS 7 HE2 LYS 7 56.692 13.362 -8.365 53 HE3 LYS 7 HE1 LYS 7 56.656 11.585 -8.244 54 HZ1 LYS 7 HZ1 LYS 7 54.225 11.720 -8.642 55 HZ2 LYS 7 HZ2 LYS 7 55.157 12.264 -9.954 56 HZ3 LYS 7 HZ3 LYS 7 54.387 13.383 -8.934 57 H HIS 8 HN HIS 8 57.167 13.095 -1.945 58 HA HIS 8 HA HIS 8 55.454 11.944 0.122 59 HB2 HIS 8 HB2 HIS 8 57.883 11.479 0.002 60 HB3 HIS 8 HB1 HIS 8 58.222 13.197 0.324 61 HD1 HIS 8 HD1 HIS 8 56.449 10.196 1.934 62 HD2 HIS 8 HD2 HIS 8 58.138 13.890 3.024 63 HE1 HIS 8 HE1 HIS 8 56.487 10.294 4.487 64 H GLY 9 HN GLY 9 53.821 13.773 -0.258 65 HA2 GLY 9 HA1 GLY 9 53.999 15.542 2.026 66 HA3 GLY 9 HA2 GLY 9 54.234 16.427 0.506 67 H ARG 10 HN ARG 10 52.444 14.218 -0.747 68 HA ARG 10 HA ARG 10 49.812 14.779 0.435 69 HB2 ARG 10 HB2 ARG 10 48.907 15.904 -1.580 70 HB3 ARG 10 HB1 ARG 10 50.180 16.877 -0.803 71 HG2 ARG 10 HG2 ARG 10 51.836 15.851 -2.424 72 HG3 ARG 10 HG1 ARG 10 50.455 15.115 -3.274 73 HD2 ARG 10 HD2 ARG 10 51.133 17.266 -4.322 74 HD3 ARG 10 HD1 ARG 10 49.482 17.352 -3.659 75 HE ARG 10 HE ARG 10 51.088 18.274 -1.587 76 HH11 ARG 10 HH11 ARG 10 49.981 20.522 -1.698 77 HH12 ARG 10 HH12 ARG 10 50.663 21.541 -2.920 78 HH21 ARG 10 HH21 ARG 10 52.267 18.943 -4.564 79 HH22 ARG 10 HH22 ARG 10 51.958 20.646 -4.545 80 H HIS 11 HN HIS 11 51.679 12.566 -0.470 81 HA HIS 11 HA HIS 11 49.581 10.908 -1.643 82 HB2 HIS 11 HB2 HIS 11 50.455 12.018 -3.694 83 HB3 HIS 11 HB1 HIS 11 52.090 11.448 -3.283 84 HD1 HIS 11 HD1 HIS 11 52.646 8.953 -3.624 85 HD2 HIS 11 HD2 HIS 11 48.699 9.982 -4.645 86 HE1 HIS 11 HE1 HIS 11 51.623 6.947 -4.828 87 H ALA 12 HN ALA 12 49.853 8.862 -1.526 88 HA ALA 12 HA ALA 12 50.590 6.840 -0.765 89 HB1 ALA 12 HB1 ALA 12 53.060 8.222 -0.085 90 HB2 ALA 12 HB2 ALA 12 52.761 7.692 -1.744 91 HB3 ALA 12 HB3 ALA 12 52.890 6.509 -0.418 92 H ALA 13 HN ALA 13 51.487 9.820 0.898 93 HA ALA 13 HA ALA 13 51.404 8.607 3.560 94 HB1 ALA 13 HB1 ALA 13 52.155 10.880 3.672 95 HB2 ALA 13 HB2 ALA 13 50.415 11.054 4.007 96 HB3 ALA 13 HB3 ALA 13 51.049 11.398 2.379 97 H LYS 14 HN LYS 14 50.154 8.571 0.632 98 HA LYS 14 HA LYS 14 47.172 8.271 1.530 99 HB2 LYS 14 HB2 LYS 14 48.043 9.971 -0.262 100 HB3 LYS 14 HB1 LYS 14 48.424 8.498 -1.229 101 HG2 LYS 14 HG2 LYS 14 46.181 8.159 -1.758 102 HG3 LYS 14 HG1 LYS 14 45.602 8.631 -0.143 103 HD2 LYS 14 HD2 LYS 14 45.835 10.999 -0.705 104 HD3 LYS 14 HD1 LYS 14 46.574 10.590 -2.272 105 HE2 LYS 14 HE2 LYS 14 44.502 9.483 -2.993 106 HE3 LYS 14 HE1 LYS 14 43.760 9.793 -1.406 107 HZ1 LYS 14 HZ1 LYS 14 44.510 11.742 -3.508 108 HZ2 LYS 14 HZ2 LYS 14 44.281 12.226 -1.895 109 HZ3 LYS 14 HZ3 LYS 14 43.003 11.515 -2.761 110 H HIS 15 HN HIS 15 46.205 6.943 -0.520 111 HA HIS 15 HA HIS 15 45.750 4.693 -0.996 112 HB2 HIS 15 HB2 HIS 15 48.509 5.158 -2.185 113 HB3 HIS 15 HB1 HIS 15 47.412 3.833 -2.642 114 HD1 HIS 15 HD1 HIS 15 48.276 7.255 -3.515 115 HD2 HIS 15 HD2 HIS 15 44.721 5.010 -3.487 116 HE1 HIS 15 HE1 HIS 15 46.617 8.437 -5.057 117 H ILE 16 HN ILE 16 47.369 5.202 1.554 118 HA ILE 16 HA ILE 16 47.517 2.695 2.479 119 HB ILE 16 HB ILE 16 49.268 1.940 1.049 120 HG12 ILE 16 HG12 ILE 16 50.762 2.862 3.537 121 HG13 ILE 16 HG11 ILE 16 49.569 1.548 3.576 122 HG21 ILE 16 HG21 ILE 16 50.586 4.614 1.686 123 HG22 ILE 16 HG22 ILE 16 50.042 4.066 0.092 124 HG23 ILE 16 HG23 ILE 16 51.438 3.300 0.872 125 HD11 ILE 16 HD1 ILE 16 51.024 0.552 1.580 126 HD12 ILE 16 HD2 ILE 16 51.570 0.358 3.259 127 HD13 ILE 16 HD3 ILE 16 52.286 1.620 2.236 128 H GLY 17 HN GLY 17 49.128 5.590 2.391 129 HA2 GLY 17 HA1 GLY 17 49.522 5.667 5.303 130 HA3 GLY 17 HA2 GLY 17 49.774 7.009 4.170 131 H HIS 18 HN HIS 18 47.083 5.950 2.933 132 HA HIS 18 HA HIS 18 45.359 7.704 4.686 133 HB2 HIS 18 HB2 HIS 18 45.339 6.813 1.822 134 HB3 HIS 18 HB1 HIS 18 43.740 6.933 2.582 135 HD1 HIS 18 HD1 HIS 18 46.526 9.242 3.673 136 HD2 HIS 18 HD2 HIS 18 43.110 9.351 1.222 137 HE1 HIS 18 HE1 HIS 18 46.106 11.687 3.062 138 H ALA 19 HN ALA 19 45.527 4.378 3.306 139 HA ALA 19 HA ALA 19 44.634 2.973 5.516 140 HB1 ALA 19 HB1 ALA 19 42.084 2.671 4.754 141 HB2 ALA 19 HB2 ALA 19 42.318 4.316 4.116 142 HB3 ALA 19 HB3 ALA 19 42.553 3.988 5.851 143 H ALA 20 HN ALA 20 45.676 3.183 2.511 144 HA ALA 20 HA ALA 20 45.997 1.657 0.787 145 HB1 ALA 20 HB1 ALA 20 46.692 0.255 2.805 146 HB2 ALA 20 HB2 ALA 20 46.185 -0.654 1.362 147 HB3 ALA 20 HB3 ALA 20 45.071 -0.477 2.739 148 H VAL 21 HN VAL 21 43.234 2.676 1.843 149 HA VAL 21 HA VAL 21 41.634 1.298 -0.262 150 HB VAL 21 HB VAL 21 40.785 1.597 2.657 151 HG11 VAL 21 HG11 VAL 21 38.816 2.059 1.418 152 HG12 VAL 21 HG12 VAL 21 38.703 0.310 1.699 153 HG13 VAL 21 HG13 VAL 21 39.248 0.922 0.119 154 HG21 VAL 21 HG21 VAL 21 41.260 -0.838 0.872 155 HG22 VAL 21 HG22 VAL 21 40.542 -0.909 2.500 156 HG23 VAL 21 HG23 VAL 21 42.218 -0.357 2.293 157 H ASN 22 HN ASN 22 42.756 3.943 1.429 158 HA ASN 22 HA ASN 22 42.487 6.200 0.717 159 HB2 ASN 22 HB2 ASN 22 39.577 5.642 0.043 160 HB3 ASN 22 HB1 ASN 22 40.549 7.070 -0.369 161 HD21 ASN 22 HD21 ASN 22 39.423 5.983 -2.566 162 HD22 ASN 22 HD22 ASN 22 40.585 5.011 -3.477 163 H HIS 23 HN HIS 23 40.023 4.359 2.436 164 HA HIS 23 HA HIS 23 40.332 6.009 4.800 165 HB2 HIS 23 HB2 HIS 23 38.922 7.540 3.439 166 HB3 HIS 23 HB1 HIS 23 37.698 6.257 3.292 167 HD1 HIS 23 HD1 HIS 23 39.720 7.173 6.415 168 HD2 HIS 23 HD2 HIS 23 35.741 7.138 5.057 169 HE1 HIS 23 HE1 HIS 23 38.235 7.829 8.389 170 H TYR 24 HN TYR 24 40.624 4.127 5.914 171 HA TYR 24 HA TYR 24 38.200 2.712 6.686 172 HB2 TYR 24 HB2 TYR 24 38.779 1.633 4.467 173 HB3 TYR 24 HB1 TYR 24 40.305 1.089 5.205 174 HD1 TYR 24 HD1 TYR 24 36.592 0.814 5.344 175 HD2 TYR 24 HD2 TYR 24 40.346 -0.706 6.837 176 HE1 TYR 24 HE1 TYR 24 35.403 -1.124 6.361 177 HE2 TYR 24 HE2 TYR 24 39.155 -2.644 7.854 178 HH TYR 24 HH TYR 24 36.624 -2.915 8.756 179 H LEU 25 HN LEU 25 41.210 3.916 7.196 180 HA LEU 25 HA LEU 25 42.286 1.906 9.008 181 HB2 LEU 25 HB2 LEU 25 43.818 3.432 7.943 182 HB3 LEU 25 HB1 LEU 25 42.910 4.844 8.523 183 HG LEU 25 HG LEU 25 43.570 4.428 10.817 184 HD11 LEU 25 HD11 LEU 25 45.179 2.441 11.257 185 HD12 LEU 25 HD12 LEU 25 44.597 1.788 9.706 186 HD13 LEU 25 HD13 LEU 25 43.456 2.056 11.045 187 HD21 LEU 25 HD21 LEU 25 46.016 4.623 10.634 188 HD22 LEU 25 HD22 LEU 25 45.234 5.539 9.323 189 HD23 LEU 25 HD23 LEU 25 45.965 3.951 8.986 Start of MODEL 69 1 H1 GLY 1 HT1 GLY 1 67.525 10.749 -1.413 2 H2 GLY 1 HT2 GLY 1 68.077 12.257 -0.859 3 H3 GLY 1 HT3 GLY 1 67.601 12.065 -2.479 4 HA2 GLY 1 HA1 GLY 1 65.365 11.710 -1.867 5 HA3 GLY 1 HA2 GLY 1 65.824 11.746 -0.154 6 H TRP 2 HN TRP 2 65.797 13.679 -3.155 7 HA TRP 2 HA TRP 2 66.301 16.183 -1.782 8 HB2 TRP 2 HB2 TRP 2 66.681 15.701 -4.253 9 HB3 TRP 2 HB1 TRP 2 64.918 15.795 -4.465 10 HD1 TRP 2 HD1 TRP 2 67.631 17.987 -2.744 11 HE1 TRP 2 HE1 TRP 2 67.149 20.486 -3.277 12 HE3 TRP 2 HE3 TRP 2 63.400 17.411 -5.569 13 HZ2 TRP 2 HZ2 TRP 2 65.182 21.999 -4.736 14 HZ3 TRP 2 HZ3 TRP 2 62.237 19.397 -6.521 15 HH2 TRP 2 HH2 TRP 2 63.123 21.688 -6.106 16 H GLY 3 HN GLY 3 63.816 14.165 -1.346 17 HA2 GLY 3 HA1 GLY 3 61.744 14.496 -0.357 18 HA3 GLY 3 HA2 GLY 3 62.100 16.232 -0.277 19 H SER 4 HN SER 4 62.596 15.309 -3.421 20 HA SER 4 HA SER 4 61.392 15.735 -5.357 21 HB2 SER 4 HB2 SER 4 59.002 14.739 -3.765 22 HB3 SER 4 HB1 SER 4 59.199 14.733 -5.531 23 HG SER 4 HG SER 4 59.708 12.732 -4.224 24 H ILE 5 HN ILE 5 59.136 16.760 -6.147 25 HA ILE 5 HA ILE 5 59.223 19.488 -5.115 26 HB ILE 5 HB ILE 5 57.110 18.383 -7.010 27 HG12 ILE 5 HG12 ILE 5 59.992 19.182 -7.627 28 HG13 ILE 5 HG11 ILE 5 59.279 17.562 -7.816 29 HG21 ILE 5 HG21 ILE 5 57.002 20.623 -7.821 30 HG22 ILE 5 HG22 ILE 5 58.543 21.069 -7.047 31 HG23 ILE 5 HG23 ILE 5 57.094 20.792 -6.053 32 HD11 ILE 5 HD1 ILE 5 58.679 20.084 -9.402 33 HD12 ILE 5 HD2 ILE 5 57.562 18.697 -9.394 34 HD13 ILE 5 HD3 ILE 5 59.223 18.500 -10.003 35 H PHE 6 HN PHE 6 56.746 16.888 -5.198 36 HA PHE 6 HA PHE 6 55.664 17.830 -2.621 37 HB2 PHE 6 HB2 PHE 6 54.083 18.066 -5.212 38 HB3 PHE 6 HB1 PHE 6 53.310 17.994 -3.613 39 HD1 PHE 6 HD1 PHE 6 54.378 19.638 -1.788 40 HD2 PHE 6 HD2 PHE 6 54.624 20.209 -6.062 41 HE1 PHE 6 HE1 PHE 6 54.796 22.068 -1.442 42 HE2 PHE 6 HE2 PHE 6 55.042 22.638 -5.712 43 HZ PHE 6 HZ PHE 6 55.101 23.573 -3.403 44 H LYS 7 HN LYS 7 56.421 15.489 -4.875 45 HA LYS 7 HA LYS 7 54.412 13.542 -4.691 46 HB2 LYS 7 HB2 LYS 7 56.517 13.371 -6.041 47 HB3 LYS 7 HB1 LYS 7 57.408 13.026 -4.539 48 HG2 LYS 7 HG2 LYS 7 56.125 11.006 -4.157 49 HG3 LYS 7 HG1 LYS 7 55.018 11.395 -5.496 50 HD2 LYS 7 HD2 LYS 7 56.960 11.275 -7.080 51 HD3 LYS 7 HD1 LYS 7 57.991 10.756 -5.725 52 HE2 LYS 7 HE2 LYS 7 57.208 8.785 -6.958 53 HE3 LYS 7 HE1 LYS 7 56.458 8.814 -5.344 54 HZ1 LYS 7 HZ1 LYS 7 54.426 9.338 -6.200 55 HZ2 LYS 7 HZ2 LYS 7 55.039 8.445 -7.509 56 HZ3 LYS 7 HZ3 LYS 7 55.055 10.144 -7.554 57 H HIS 8 HN HIS 8 57.393 13.310 -2.717 58 HA HIS 8 HA HIS 8 55.931 11.795 -0.663 59 HB2 HIS 8 HB2 HIS 8 58.301 11.302 -1.333 60 HB3 HIS 8 HB1 HIS 8 58.781 12.862 -0.624 61 HD1 HIS 8 HD1 HIS 8 56.126 10.595 0.890 62 HD2 HIS 8 HD2 HIS 8 60.099 11.771 1.622 63 HE1 HIS 8 HE1 HIS 8 56.764 9.724 3.206 64 H GLY 9 HN GLY 9 54.437 13.816 -0.490 65 HA2 GLY 9 HA1 GLY 9 55.179 15.136 2.015 66 HA3 GLY 9 HA2 GLY 9 55.121 16.239 0.626 67 H ARG 10 HN ARG 10 52.969 14.261 -0.483 68 HA ARG 10 HA ARG 10 50.715 14.702 1.341 69 HB2 ARG 10 HB2 ARG 10 49.440 16.095 -0.345 70 HB3 ARG 10 HB1 ARG 10 50.786 16.940 0.457 71 HG2 ARG 10 HG2 ARG 10 52.222 16.642 -1.466 72 HG3 ARG 10 HG1 ARG 10 51.046 15.555 -2.244 73 HD2 ARG 10 HD2 ARG 10 50.535 18.487 -1.571 74 HD3 ARG 10 HD1 ARG 10 50.963 17.869 -3.185 75 HE ARG 10 HE ARG 10 48.645 16.494 -2.112 76 HH11 ARG 10 HH11 ARG 10 49.034 19.776 -2.412 77 HH12 ARG 10 HH12 ARG 10 47.845 20.002 -3.650 78 HH21 ARG 10 HH21 ARG 10 47.413 16.608 -4.223 79 HH22 ARG 10 HH22 ARG 10 46.927 18.208 -4.675 80 H HIS 11 HN HIS 11 52.196 12.621 -0.323 81 HA HIS 11 HA HIS 11 49.734 11.299 -1.312 82 HB2 HIS 11 HB2 HIS 11 52.155 11.760 -3.105 83 HB3 HIS 11 HB1 HIS 11 50.771 10.710 -3.488 84 HD1 HIS 11 HD1 HIS 11 48.373 12.363 -2.705 85 HD2 HIS 11 HD2 HIS 11 51.700 13.973 -4.709 86 HE1 HIS 11 HE1 HIS 11 47.609 14.523 -3.836 87 H ALA 12 HN ALA 12 49.735 9.237 -1.357 88 HA ALA 12 HA ALA 12 50.279 7.077 -0.829 89 HB1 ALA 12 HB1 ALA 12 52.973 8.081 -0.357 90 HB2 ALA 12 HB2 ALA 12 52.420 7.728 -1.996 91 HB3 ALA 12 HB3 ALA 12 52.533 6.438 -0.773 92 H ALA 13 HN ALA 13 51.625 9.808 0.923 93 HA ALA 13 HA ALA 13 51.677 8.391 3.493 94 HB1 ALA 13 HB1 ALA 13 50.962 10.897 4.174 95 HB2 ALA 13 HB2 ALA 13 51.554 11.283 2.540 96 HB3 ALA 13 HB3 ALA 13 52.653 10.558 3.738 97 H LYS 14 HN LYS 14 50.202 8.703 0.689 98 HA LYS 14 HA LYS 14 47.289 8.586 1.808 99 HB2 LYS 14 HB2 LYS 14 48.226 10.361 0.075 100 HB3 LYS 14 HB1 LYS 14 48.249 8.954 -1.046 101 HG2 LYS 14 HG2 LYS 14 45.629 8.949 0.197 102 HG3 LYS 14 HG1 LYS 14 45.962 10.658 -0.124 103 HD2 LYS 14 HD2 LYS 14 46.281 8.484 -2.233 104 HD3 LYS 14 HD1 LYS 14 44.791 9.425 -2.004 105 HE2 LYS 14 HE2 LYS 14 46.009 11.518 -2.412 106 HE3 LYS 14 HE1 LYS 14 47.539 10.625 -2.563 107 HZ1 LYS 14 HZ1 LYS 14 46.022 9.322 -4.321 108 HZ2 LYS 14 HZ2 LYS 14 46.989 10.658 -4.731 109 HZ3 LYS 14 HZ3 LYS 14 45.328 10.865 -4.440 110 H HIS 15 HN HIS 15 46.215 7.558 -0.554 111 HA HIS 15 HA HIS 15 45.550 5.376 -1.140 112 HB2 HIS 15 HB2 HIS 15 46.988 6.358 -2.956 113 HB3 HIS 15 HB1 HIS 15 48.367 5.464 -2.276 114 HD1 HIS 15 HD1 HIS 15 48.745 3.246 -3.339 115 HD2 HIS 15 HD2 HIS 15 44.702 4.397 -3.499 116 HE1 HIS 15 HE1 HIS 15 47.472 1.392 -4.551 117 H ILE 16 HN ILE 16 47.102 5.510 1.466 118 HA ILE 16 HA ILE 16 47.079 2.926 2.176 119 HB ILE 16 HB ILE 16 48.797 2.183 0.712 120 HG12 ILE 16 HG12 ILE 16 50.267 2.759 3.315 121 HG13 ILE 16 HG11 ILE 16 48.995 1.526 3.182 122 HG21 ILE 16 HG21 ILE 16 50.350 4.636 1.644 123 HG22 ILE 16 HG22 ILE 16 49.744 4.362 -0.004 124 HG23 ILE 16 HG23 ILE 16 51.050 3.355 0.651 125 HD11 ILE 16 HD1 ILE 16 51.763 1.557 1.947 126 HD12 ILE 16 HD2 ILE 16 50.465 0.648 1.138 127 HD13 ILE 16 HD3 ILE 16 50.929 0.245 2.805 128 H GLY 17 HN GLY 17 48.979 5.634 2.364 129 HA2 GLY 17 HA1 GLY 17 49.304 5.487 5.261 130 HA3 GLY 17 HA2 GLY 17 49.665 6.892 4.232 131 H HIS 18 HN HIS 18 46.912 6.147 2.931 132 HA HIS 18 HA HIS 18 45.305 7.852 4.838 133 HB2 HIS 18 HB2 HIS 18 45.290 7.324 1.883 134 HB3 HIS 18 HB1 HIS 18 43.694 7.538 2.630 135 HD1 HIS 18 HD1 HIS 18 46.629 9.368 4.115 136 HD2 HIS 18 HD2 HIS 18 43.431 10.153 1.499 137 HE1 HIS 18 HE1 HIS 18 46.526 11.898 3.775 138 H ALA 19 HN ALA 19 45.148 4.727 3.004 139 HA ALA 19 HA ALA 19 43.979 3.234 5.074 140 HB1 ALA 19 HB1 ALA 19 41.990 4.455 5.280 141 HB2 ALA 19 HB2 ALA 19 41.505 3.238 4.083 142 HB3 ALA 19 HB3 ALA 19 41.952 4.876 3.552 143 H ALA 20 HN ALA 20 45.336 3.510 2.212 144 HA ALA 20 HA ALA 20 45.708 2.052 0.443 145 HB1 ALA 20 HB1 ALA 20 45.958 0.462 2.438 146 HB2 ALA 20 HB2 ALA 20 45.587 -0.284 0.865 147 HB3 ALA 20 HB3 ALA 20 44.303 -0.080 2.079 148 H VAL 21 HN VAL 21 42.914 3.277 1.285 149 HA VAL 21 HA VAL 21 41.523 2.329 -1.163 150 HB VAL 21 HB VAL 21 40.177 2.341 1.582 151 HG11 VAL 21 HG11 VAL 21 38.346 1.160 0.161 152 HG12 VAL 21 HG12 VAL 21 39.224 1.780 -1.256 153 HG13 VAL 21 HG13 VAL 21 38.543 2.911 -0.062 154 HG21 VAL 21 HG21 VAL 21 39.992 -0.161 1.151 155 HG22 VAL 21 HG22 VAL 21 41.647 0.411 1.446 156 HG23 VAL 21 HG23 VAL 21 41.113 0.056 -0.214 157 H ASN 22 HN ASN 22 42.530 4.601 1.083 158 HA ASN 22 HA ASN 22 42.497 6.949 0.678 159 HB2 ASN 22 HB2 ASN 22 41.090 6.560 -1.462 160 HB3 ASN 22 HB1 ASN 22 39.666 6.768 -0.410 161 HD21 ASN 22 HD21 ASN 22 39.978 8.659 -2.414 162 HD22 ASN 22 HD22 ASN 22 40.537 10.184 -1.718 163 H HIS 23 HN HIS 23 39.714 5.077 1.774 164 HA HIS 23 HA HIS 23 39.732 6.509 4.341 165 HB2 HIS 23 HB2 HIS 23 37.389 6.776 2.421 166 HB3 HIS 23 HB1 HIS 23 37.295 7.132 4.162 167 HD1 HIS 23 HD1 HIS 23 38.784 8.371 0.911 168 HD2 HIS 23 HD2 HIS 23 38.759 9.464 4.971 169 HE1 HIS 23 HE1 HIS 23 39.694 10.754 1.064 170 H TYR 24 HN TYR 24 39.497 4.986 5.813 171 HA TYR 24 HA TYR 24 38.703 2.322 5.246 172 HB2 TYR 24 HB2 TYR 24 38.643 3.927 7.833 173 HB3 TYR 24 HB1 TYR 24 38.305 2.182 7.756 174 HD1 TYR 24 HD1 TYR 24 40.089 0.698 6.532 175 HD2 TYR 24 HD2 TYR 24 40.892 4.659 8.051 176 HE1 TYR 24 HE1 TYR 24 42.528 0.199 6.549 177 HE2 TYR 24 HE2 TYR 24 43.331 4.157 8.069 178 HH TYR 24 HH TYR 24 44.492 0.984 7.896 179 H LEU 25 HN LEU 25 36.874 5.160 5.297 180 HA LEU 25 HA LEU 25 34.408 4.238 6.420 181 HB2 LEU 25 HB2 LEU 25 35.217 6.629 5.613 182 HB3 LEU 25 HB1 LEU 25 34.482 6.153 4.068 183 HG LEU 25 HG LEU 25 33.080 6.191 6.782 184 HD11 LEU 25 HD11 LEU 25 31.795 8.065 5.786 185 HD12 LEU 25 HD12 LEU 25 32.793 7.963 4.315 186 HD13 LEU 25 HD13 LEU 25 33.533 8.442 5.862 187 HD21 LEU 25 HD21 LEU 25 32.037 4.457 5.524 188 HD22 LEU 25 HD22 LEU 25 32.209 5.344 3.990 189 HD23 LEU 25 HD23 LEU 25 31.026 5.884 5.206 Start of MODEL 70 1 H1 GLY 1 HT1 GLY 1 64.248 15.282 -11.468 2 H2 GLY 1 HT2 GLY 1 65.213 16.528 -12.102 3 H3 GLY 1 HT3 GLY 1 63.539 16.754 -11.920 4 HA2 GLY 1 HA1 GLY 1 65.252 17.701 -10.228 5 HA3 GLY 1 HA2 GLY 1 63.643 17.125 -9.746 6 H TRP 2 HN TRP 2 64.436 16.712 -7.634 7 HA TRP 2 HA TRP 2 66.652 14.920 -7.168 8 HB2 TRP 2 HB2 TRP 2 65.729 16.553 -5.498 9 HB3 TRP 2 HB1 TRP 2 64.291 15.515 -5.342 10 HD1 TRP 2 HD1 TRP 2 68.144 15.207 -5.020 11 HE1 TRP 2 HE1 TRP 2 68.697 13.483 -3.153 12 HE3 TRP 2 HE3 TRP 2 63.383 13.748 -3.831 13 HZ2 TRP 2 HZ2 TRP 2 67.242 11.723 -1.398 14 HZ3 TRP 2 HZ3 TRP 2 62.988 12.046 -2.057 15 HH2 TRP 2 HH2 TRP 2 64.913 11.032 -0.841 16 H GLY 3 HN GLY 3 63.126 14.405 -6.635 17 HA2 GLY 3 HA1 GLY 3 62.838 12.027 -8.056 18 HA3 GLY 3 HA2 GLY 3 63.479 11.529 -6.477 19 H SER 4 HN SER 4 61.958 14.218 -5.633 20 HA SER 4 HA SER 4 59.161 13.359 -5.798 21 HB2 SER 4 HB2 SER 4 60.683 13.104 -3.178 22 HB3 SER 4 HB1 SER 4 58.910 13.131 -3.303 23 HG SER 4 HG SER 4 59.433 11.016 -3.422 24 H ILE 5 HN ILE 5 58.787 15.421 -6.589 25 HA ILE 5 HA ILE 5 59.766 17.815 -5.398 26 HB ILE 5 HB ILE 5 58.650 17.576 -7.682 27 HG12 ILE 5 HG12 ILE 5 57.256 19.825 -7.311 28 HG13 ILE 5 HG11 ILE 5 57.949 19.757 -5.677 29 HG21 ILE 5 HG21 ILE 5 56.265 17.552 -7.859 30 HG22 ILE 5 HG22 ILE 5 56.056 17.835 -6.115 31 HG23 ILE 5 HG23 ILE 5 56.680 16.272 -6.695 32 HD11 ILE 5 HD1 ILE 5 60.219 19.771 -6.586 33 HD12 ILE 5 HD2 ILE 5 59.308 21.119 -7.297 34 HD13 ILE 5 HD3 ILE 5 59.595 19.644 -8.247 35 H PHE 6 HN PHE 6 56.765 15.956 -4.845 36 HA PHE 6 HA PHE 6 56.616 16.954 -2.099 37 HB2 PHE 6 HB2 PHE 6 54.589 17.872 -4.177 38 HB3 PHE 6 HB1 PHE 6 54.242 17.857 -2.432 39 HD1 PHE 6 HD1 PHE 6 56.195 18.950 -0.922 40 HD2 PHE 6 HD2 PHE 6 55.455 19.880 -5.076 41 HE1 PHE 6 HE1 PHE 6 57.364 21.132 -0.646 42 HE2 PHE 6 HE2 PHE 6 56.624 22.060 -4.794 43 HZ PHE 6 HZ PHE 6 57.565 22.691 -2.576 44 H LYS 7 HN LYS 7 56.737 14.451 -3.776 45 HA LYS 7 HA LYS 7 54.138 13.169 -3.498 46 HB2 LYS 7 HB2 LYS 7 56.814 11.751 -3.729 47 HB3 LYS 7 HB1 LYS 7 55.216 11.206 -4.294 48 HG2 LYS 7 HG2 LYS 7 56.824 13.556 -5.393 49 HG3 LYS 7 HG1 LYS 7 56.537 11.997 -6.202 50 HD2 LYS 7 HD2 LYS 7 54.008 12.540 -5.956 51 HD3 LYS 7 HD1 LYS 7 54.533 14.199 -5.577 52 HE2 LYS 7 HE2 LYS 7 55.792 14.271 -7.729 53 HE3 LYS 7 HE1 LYS 7 55.188 12.642 -8.116 54 HZ1 LYS 7 HZ1 LYS 7 53.449 14.991 -7.551 55 HZ2 LYS 7 HZ2 LYS 7 52.950 13.455 -8.078 56 HZ3 LYS 7 HZ3 LYS 7 53.858 14.457 -9.107 57 H HIS 8 HN HIS 8 57.190 13.151 -1.631 58 HA HIS 8 HA HIS 8 56.111 11.273 0.348 59 HB2 HIS 8 HB2 HIS 8 58.210 11.715 1.551 60 HB3 HIS 8 HB1 HIS 8 58.531 11.389 -0.168 61 HD1 HIS 8 HD1 HIS 8 60.748 12.887 1.046 62 HD2 HIS 8 HD2 HIS 8 57.318 14.849 -0.393 63 HE1 HIS 8 HE1 HIS 8 61.378 15.331 0.653 64 H GLY 9 HN GLY 9 54.213 13.152 0.187 65 HA2 GLY 9 HA1 GLY 9 53.962 14.075 2.858 66 HA3 GLY 9 HA2 GLY 9 54.543 15.433 1.873 67 H ARG 10 HN ARG 10 52.949 13.655 -0.306 68 HA ARG 10 HA ARG 10 50.191 14.545 0.411 69 HB2 ARG 10 HB2 ARG 10 51.521 15.342 -2.211 70 HB3 ARG 10 HB1 ARG 10 49.884 15.766 -1.658 71 HG2 ARG 10 HG2 ARG 10 50.941 16.945 0.318 72 HG3 ARG 10 HG1 ARG 10 52.528 16.663 -0.437 73 HD2 ARG 10 HD2 ARG 10 51.748 18.896 -1.049 74 HD3 ARG 10 HD1 ARG 10 51.716 17.854 -2.491 75 HE ARG 10 HE ARG 10 49.157 17.783 -1.165 76 HH11 ARG 10 HH11 ARG 10 47.520 19.215 -1.837 77 HH12 ARG 10 HH12 ARG 10 47.858 20.340 -3.110 78 HH21 ARG 10 HH21 ARG 10 51.206 19.473 -3.349 79 HH22 ARG 10 HH22 ARG 10 49.943 20.486 -3.966 80 H HIS 11 HN HIS 11 52.092 12.114 -0.335 81 HA HIS 11 HA HIS 11 49.922 10.614 -1.611 82 HB2 HIS 11 HB2 HIS 11 51.036 11.612 -3.603 83 HB3 HIS 11 HB1 HIS 11 52.582 10.914 -3.066 84 HD1 HIS 11 HD1 HIS 11 52.796 8.275 -3.068 85 HD2 HIS 11 HD2 HIS 11 49.247 9.758 -4.769 86 HE1 HIS 11 HE1 HIS 11 51.733 6.368 -4.393 87 H ALA 12 HN ALA 12 49.987 8.567 -1.420 88 HA ALA 12 HA ALA 12 50.485 6.506 -0.570 89 HB1 ALA 12 HB1 ALA 12 52.792 7.124 -1.412 90 HB2 ALA 12 HB2 ALA 12 52.704 5.965 -0.061 91 HB3 ALA 12 HB3 ALA 12 53.027 7.674 0.238 92 H ALA 13 HN ALA 13 51.517 9.450 1.069 93 HA ALA 13 HA ALA 13 51.148 8.332 3.751 94 HB1 ALA 13 HB1 ALA 13 52.189 10.625 3.421 95 HB2 ALA 13 HB2 ALA 13 50.672 10.718 4.350 96 HB3 ALA 13 HB3 ALA 13 50.690 11.160 2.624 97 H LYS 14 HN LYS 14 50.114 8.291 0.740 98 HA LYS 14 HA LYS 14 47.065 8.271 1.429 99 HB2 LYS 14 HB2 LYS 14 48.179 9.845 -0.346 100 HB3 LYS 14 HB1 LYS 14 48.507 8.318 -1.248 101 HG2 LYS 14 HG2 LYS 14 46.293 8.156 -1.945 102 HG3 LYS 14 HG1 LYS 14 45.639 8.625 -0.362 103 HD2 LYS 14 HD2 LYS 14 44.967 10.328 -1.902 104 HD3 LYS 14 HD1 LYS 14 46.286 11.039 -0.948 105 HE2 LYS 14 HE2 LYS 14 47.885 10.407 -2.776 106 HE3 LYS 14 HE1 LYS 14 46.510 9.816 -3.733 107 HZ1 LYS 14 HZ1 LYS 14 45.540 12.110 -3.409 108 HZ2 LYS 14 HZ2 LYS 14 46.893 12.011 -4.432 109 HZ3 LYS 14 HZ3 LYS 14 47.065 12.594 -2.846 110 H HIS 15 HN HIS 15 46.145 6.928 -0.686 111 HA HIS 15 HA HIS 15 45.570 4.696 -1.121 112 HB2 HIS 15 HB2 HIS 15 48.434 4.996 -2.091 113 HB3 HIS 15 HB1 HIS 15 47.379 3.633 -2.535 114 HD1 HIS 15 HD1 HIS 15 48.253 7.071 -3.483 115 HD2 HIS 15 HD2 HIS 15 44.964 4.504 -3.992 116 HE1 HIS 15 HE1 HIS 15 46.779 8.073 -5.315 117 H ILE 16 HN ILE 16 46.988 5.184 1.558 118 HA ILE 16 HA ILE 16 46.893 2.703 2.554 119 HB ILE 16 HB ILE 16 48.698 1.769 1.322 120 HG12 ILE 16 HG12 ILE 16 50.302 2.654 3.739 121 HG13 ILE 16 HG11 ILE 16 48.830 1.703 4.007 122 HG21 ILE 16 HG21 ILE 16 49.675 3.793 0.318 123 HG22 ILE 16 HG22 ILE 16 50.959 2.981 1.231 124 HG23 ILE 16 HG23 ILE 16 50.147 4.385 1.921 125 HD11 ILE 16 HD1 ILE 16 51.192 0.885 2.256 126 HD12 ILE 16 HD2 ILE 16 49.694 -0.053 2.458 127 HD13 ILE 16 HD3 ILE 16 50.774 0.212 3.847 128 H GLY 17 HN GLY 17 48.752 5.445 2.521 129 HA2 GLY 17 HA1 GLY 17 48.886 5.625 5.448 130 HA3 GLY 17 HA2 GLY 17 49.343 6.894 4.293 131 H HIS 18 HN HIS 18 46.695 5.996 2.860 132 HA HIS 18 HA HIS 18 44.980 7.966 4.353 133 HB2 HIS 18 HB2 HIS 18 45.156 6.928 1.556 134 HB3 HIS 18 HB1 HIS 18 43.495 7.132 2.145 135 HD1 HIS 18 HD1 HIS 18 46.268 9.405 3.367 136 HD2 HIS 18 HD2 HIS 18 43.030 9.508 0.686 137 HE1 HIS 18 HE1 HIS 18 45.975 11.830 2.620 138 H ALA 19 HN ALA 19 44.977 4.515 3.233 139 HA ALA 19 HA ALA 19 43.354 3.774 5.545 140 HB1 ALA 19 HB1 ALA 19 41.266 3.291 4.504 141 HB2 ALA 19 HB2 ALA 19 41.919 3.630 2.881 142 HB3 ALA 19 HB3 ALA 19 41.676 4.959 4.042 143 H ALA 20 HN ALA 20 45.770 2.781 4.420 144 HA ALA 20 HA ALA 20 46.710 0.720 3.941 145 HB1 ALA 20 HB1 ALA 20 45.597 -1.240 4.583 146 HB2 ALA 20 HB2 ALA 20 44.000 -0.611 4.119 147 HB3 ALA 20 HB3 ALA 20 44.810 0.006 5.577 148 H VAL 21 HN VAL 21 44.070 2.020 2.121 149 HA VAL 21 HA VAL 21 45.168 0.737 -0.328 150 HB VAL 21 HB VAL 21 42.182 0.636 0.284 151 HG11 VAL 21 HG11 VAL 21 43.934 -0.518 -1.931 152 HG12 VAL 21 HG12 VAL 21 42.738 0.790 -2.098 153 HG13 VAL 21 HG13 VAL 21 42.202 -0.866 -1.724 154 HG21 VAL 21 HG21 VAL 21 44.333 -1.521 0.453 155 HG22 VAL 21 HG22 VAL 21 42.589 -1.866 0.403 156 HG23 VAL 21 HG23 VAL 21 43.275 -0.951 1.766 157 H ASN 22 HN ASN 22 42.996 3.032 1.269 158 HA ASN 22 HA ASN 22 43.634 5.367 0.064 159 HB2 ASN 22 HB2 ASN 22 43.408 4.771 -2.211 160 HB3 ASN 22 HB1 ASN 22 41.986 3.749 -1.905 161 HD21 ASN 22 HD21 ASN 22 40.319 4.728 -3.090 162 HD22 ASN 22 HD22 ASN 22 39.918 6.446 -2.987 163 H HIS 23 HN HIS 23 40.766 3.267 0.489 164 HA HIS 23 HA HIS 23 39.717 5.092 2.525 165 HB2 HIS 23 HB2 HIS 23 39.026 6.217 0.388 166 HB3 HIS 23 HB1 HIS 23 38.120 4.747 -0.041 167 HD1 HIS 23 HD1 HIS 23 35.745 4.690 0.712 168 HD2 HIS 23 HD2 HIS 23 38.078 7.308 3.032 169 HE1 HIS 23 HE1 HIS 23 34.187 5.803 2.405 170 H TYR 24 HN TYR 24 40.521 2.263 2.168 171 HA TYR 24 HA TYR 24 38.046 0.701 2.161 172 HB2 TYR 24 HB2 TYR 24 40.265 -0.202 1.435 173 HB3 TYR 24 HB1 TYR 24 40.826 -0.083 3.121 174 HD1 TYR 24 HD1 TYR 24 38.430 -1.767 0.822 175 HD2 TYR 24 HD2 TYR 24 40.042 -1.629 4.824 176 HE1 TYR 24 HE1 TYR 24 37.357 -3.957 1.331 177 HE2 TYR 24 HE2 TYR 24 38.970 -3.821 5.331 178 HH TYR 24 HH TYR 24 37.082 -5.576 2.864 179 H LEU 25 HN LEU 25 39.480 2.773 4.387 180 HA LEU 25 HA LEU 25 39.172 3.100 6.661 181 HB2 LEU 25 HB2 LEU 25 36.743 1.289 6.460 182 HB3 LEU 25 HB1 LEU 25 37.000 2.689 7.529 183 HG LEU 25 HG LEU 25 36.681 2.756 4.496 184 HD11 LEU 25 HD11 LEU 25 34.940 3.782 6.782 185 HD12 LEU 25 HD12 LEU 25 34.578 2.389 5.734 186 HD13 LEU 25 HD13 LEU 25 34.617 4.032 5.051 187 HD21 LEU 25 HD21 LEU 25 36.627 5.303 4.976 188 HD22 LEU 25 HD22 LEU 25 38.217 4.509 5.033 189 HD23 LEU 25 HD23 LEU 25 37.365 4.904 6.546 Start of MODEL 71 1 H1 GLY 1 HT1 GLY 1 64.790 20.807 -1.331 2 H2 GLY 1 HT2 GLY 1 65.152 20.972 0.320 3 H3 GLY 1 HT3 GLY 1 64.061 22.040 -0.425 4 HA2 GLY 1 HA1 GLY 1 63.435 19.818 0.958 5 HA3 GLY 1 HA2 GLY 1 62.371 20.716 -0.144 6 H TRP 2 HN TRP 2 65.280 19.016 -1.191 7 HA TRP 2 HA TRP 2 65.532 17.242 -2.661 8 HB2 TRP 2 HB2 TRP 2 62.922 16.166 -1.542 9 HB3 TRP 2 HB1 TRP 2 64.289 15.251 -2.220 10 HD1 TRP 2 HD1 TRP 2 62.917 16.435 0.984 11 HE1 TRP 2 HE1 TRP 2 64.632 16.175 2.920 12 HE3 TRP 2 HE3 TRP 2 67.124 15.525 -1.785 13 HZ2 TRP 2 HZ2 TRP 2 67.448 15.644 3.195 14 HZ3 TRP 2 HZ3 TRP 2 69.315 15.144 -0.664 15 HH2 TRP 2 HH2 TRP 2 69.480 15.202 1.821 16 H GLY 3 HN GLY 3 64.412 15.952 -4.465 17 HA2 GLY 3 HA1 GLY 3 63.131 17.883 -6.198 18 HA3 GLY 3 HA2 GLY 3 63.424 16.169 -6.553 19 H SER 4 HN SER 4 61.899 16.087 -3.673 20 HA SER 4 HA SER 4 59.415 15.174 -4.838 21 HB2 SER 4 HB2 SER 4 58.682 14.905 -2.517 22 HB3 SER 4 HB1 SER 4 60.346 14.307 -2.703 23 HG SER 4 HG SER 4 60.917 15.749 -1.293 24 H ILE 5 HN ILE 5 58.636 16.919 -6.094 25 HA ILE 5 HA ILE 5 58.172 19.540 -5.018 26 HB ILE 5 HB ILE 5 56.516 18.215 -7.207 27 HG12 ILE 5 HG12 ILE 5 59.287 19.490 -7.361 28 HG13 ILE 5 HG11 ILE 5 58.887 17.788 -7.685 29 HG21 ILE 5 HG21 ILE 5 57.476 21.094 -6.945 30 HG22 ILE 5 HG22 ILE 5 55.937 20.536 -6.249 31 HG23 ILE 5 HG23 ILE 5 56.198 20.453 -8.005 32 HD11 ILE 5 HD1 ILE 5 57.251 18.723 -9.487 33 HD12 ILE 5 HD2 ILE 5 58.995 18.772 -9.842 34 HD13 ILE 5 HD3 ILE 5 58.156 20.247 -9.309 35 H PHE 6 HN PHE 6 56.350 16.520 -4.932 36 HA PHE 6 HA PHE 6 54.687 17.512 -2.772 37 HB2 PHE 6 HB2 PHE 6 52.502 17.233 -4.008 38 HB3 PHE 6 HB1 PHE 6 53.452 18.655 -4.502 39 HD1 PHE 6 HD1 PHE 6 54.243 18.885 -6.753 40 HD2 PHE 6 HD2 PHE 6 52.641 15.109 -5.406 41 HE1 PHE 6 HE1 PHE 6 54.278 18.034 -9.095 42 HE2 PHE 6 HE2 PHE 6 52.676 14.260 -7.748 43 HZ PHE 6 HZ PHE 6 53.553 15.701 -9.582 44 H LYS 7 HN LYS 7 56.186 15.164 -4.539 45 HA LYS 7 HA LYS 7 54.521 12.905 -4.481 46 HB2 LYS 7 HB2 LYS 7 57.500 13.131 -3.900 47 HB3 LYS 7 HB1 LYS 7 56.648 11.596 -4.190 48 HG2 LYS 7 HG2 LYS 7 56.007 12.290 -6.423 49 HG3 LYS 7 HG1 LYS 7 56.616 13.938 -6.137 50 HD2 LYS 7 HD2 LYS 7 58.907 13.113 -5.949 51 HD3 LYS 7 HD1 LYS 7 58.346 11.429 -6.072 52 HE2 LYS 7 HE2 LYS 7 59.214 12.235 -8.248 53 HE3 LYS 7 HE1 LYS 7 57.472 11.884 -8.346 54 HZ1 LYS 7 HZ1 LYS 7 58.535 14.596 -7.763 55 HZ2 LYS 7 HZ2 LYS 7 56.956 14.164 -8.217 56 HZ3 LYS 7 HZ3 LYS 7 58.225 14.055 -9.340 57 H HIS 8 HN HIS 8 57.146 12.981 -2.107 58 HA HIS 8 HA HIS 8 55.451 11.626 -0.147 59 HB2 HIS 8 HB2 HIS 8 57.904 11.190 -0.429 60 HB3 HIS 8 HB1 HIS 8 58.228 12.824 0.198 61 HD1 HIS 8 HD1 HIS 8 55.281 11.541 1.870 62 HD2 HIS 8 HD2 HIS 8 59.419 10.949 2.325 63 HE1 HIS 8 HE1 HIS 8 55.667 10.630 4.226 64 H GLY 9 HN GLY 9 53.888 13.599 -0.377 65 HA2 GLY 9 HA1 GLY 9 54.046 15.027 2.125 66 HA3 GLY 9 HA2 GLY 9 54.446 16.099 0.770 67 H ARG 10 HN ARG 10 52.596 14.273 -0.919 68 HA ARG 10 HA ARG 10 49.935 15.036 0.181 69 HB2 ARG 10 HB2 ARG 10 51.052 16.094 -2.448 70 HB3 ARG 10 HB1 ARG 10 49.328 16.131 -2.009 71 HG2 ARG 10 HG2 ARG 10 49.984 17.396 0.094 72 HG3 ARG 10 HG1 ARG 10 51.631 17.514 -0.571 73 HD2 ARG 10 HD2 ARG 10 50.699 18.621 -2.607 74 HD3 ARG 10 HD1 ARG 10 49.080 18.568 -1.869 75 HE ARG 10 HE ARG 10 50.966 19.854 -0.095 76 HH11 ARG 10 HH11 ARG 10 48.198 20.331 -1.845 77 HH12 ARG 10 HH12 ARG 10 48.469 22.005 -2.197 78 HH21 ARG 10 HH21 ARG 10 51.735 21.992 -1.032 79 HH22 ARG 10 HH22 ARG 10 50.471 22.947 -1.736 80 H HIS 11 HN HIS 11 51.793 12.698 -0.856 81 HA HIS 11 HA HIS 11 49.540 11.140 -1.882 82 HB2 HIS 11 HB2 HIS 11 50.346 12.279 -3.965 83 HB3 HIS 11 HB1 HIS 11 51.950 11.556 -3.694 84 HD1 HIS 11 HD1 HIS 11 52.052 8.863 -3.667 85 HD2 HIS 11 HD2 HIS 11 48.463 10.530 -5.087 86 HE1 HIS 11 HE1 HIS 11 50.816 7.031 -4.947 87 H ALA 12 HN ALA 12 49.730 9.088 -1.803 88 HA ALA 12 HA ALA 12 50.439 7.024 -1.128 89 HB1 ALA 12 HB1 ALA 12 53.008 8.292 -0.619 90 HB2 ALA 12 HB2 ALA 12 52.565 7.802 -2.258 91 HB3 ALA 12 HB3 ALA 12 52.742 6.593 -0.960 92 H ALA 13 HN ALA 13 51.590 9.938 0.497 93 HA ALA 13 HA ALA 13 51.651 8.687 3.144 94 HB1 ALA 13 HB1 ALA 13 50.977 11.541 2.208 95 HB2 ALA 13 HB2 ALA 13 52.559 11.018 2.834 96 HB3 ALA 13 HB3 ALA 13 51.139 11.039 3.907 97 H LYS 14 HN LYS 14 50.183 8.752 0.321 98 HA LYS 14 HA LYS 14 47.267 8.577 1.441 99 HB2 LYS 14 HB2 LYS 14 48.073 10.251 -0.403 100 HB3 LYS 14 HB1 LYS 14 48.312 8.772 -1.405 101 HG2 LYS 14 HG2 LYS 14 46.024 8.533 -1.761 102 HG3 LYS 14 HG1 LYS 14 45.592 9.022 -0.107 103 HD2 LYS 14 HD2 LYS 14 45.779 11.359 -0.657 104 HD3 LYS 14 HD1 LYS 14 46.556 10.999 -2.216 105 HE2 LYS 14 HE2 LYS 14 44.157 11.587 -2.505 106 HE3 LYS 14 HE1 LYS 14 44.486 9.915 -3.016 107 HZ1 LYS 14 HZ1 LYS 14 43.706 10.386 -0.226 108 HZ2 LYS 14 HZ2 LYS 14 43.387 9.057 -1.233 109 HZ3 LYS 14 HZ3 LYS 14 42.501 10.496 -1.414 110 H HIS 15 HN HIS 15 46.087 7.311 -0.527 111 HA HIS 15 HA HIS 15 45.486 5.092 -0.974 112 HB2 HIS 15 HB2 HIS 15 46.713 6.029 -2.960 113 HB3 HIS 15 HB1 HIS 15 48.184 5.221 -2.367 114 HD1 HIS 15 HD1 HIS 15 48.488 2.795 -2.954 115 HD2 HIS 15 HD2 HIS 15 44.555 4.128 -3.604 116 HE1 HIS 15 HE1 HIS 15 47.210 0.882 -4.064 117 H ILE 16 HN ILE 16 47.352 5.489 1.431 118 HA ILE 16 HA ILE 16 47.455 2.953 2.305 119 HB ILE 16 HB ILE 16 49.053 2.175 0.716 120 HG12 ILE 16 HG12 ILE 16 51.076 1.683 2.027 121 HG13 ILE 16 HG11 ILE 16 50.635 2.923 3.216 122 HG21 ILE 16 HG21 ILE 16 50.519 4.773 1.304 123 HG22 ILE 16 HG22 ILE 16 49.840 4.268 -0.254 124 HG23 ILE 16 HG23 ILE 16 51.262 3.439 0.416 125 HD11 ILE 16 HD1 ILE 16 48.678 1.690 3.898 126 HD12 ILE 16 HD2 ILE 16 50.008 0.514 3.823 127 HD13 ILE 16 HD3 ILE 16 48.811 0.588 2.508 128 H GLY 17 HN GLY 17 49.175 5.780 2.130 129 HA2 GLY 17 HA1 GLY 17 49.746 5.827 5.013 130 HA3 GLY 17 HA2 GLY 17 49.982 7.165 3.871 131 H HIS 18 HN HIS 18 47.191 6.222 2.786 132 HA HIS 18 HA HIS 18 45.628 8.030 4.620 133 HB2 HIS 18 HB2 HIS 18 45.440 7.142 1.772 134 HB3 HIS 18 HB1 HIS 18 43.877 7.236 2.603 135 HD1 HIS 18 HD1 HIS 18 43.215 9.312 1.135 136 HD2 HIS 18 HD2 HIS 18 46.605 9.908 3.550 137 HE1 HIS 18 HE1 HIS 18 43.659 11.825 1.217 138 H ALA 19 HN ALA 19 45.536 4.693 3.231 139 HA ALA 19 HA ALA 19 44.735 3.365 5.547 140 HB1 ALA 19 HB1 ALA 19 42.146 3.143 4.905 141 HB2 ALA 19 HB2 ALA 19 42.415 4.758 4.209 142 HB3 ALA 19 HB3 ALA 19 42.712 4.471 5.940 143 H ALA 20 HN ALA 20 45.690 3.432 2.530 144 HA ALA 20 HA ALA 20 45.936 1.834 0.864 145 HB1 ALA 20 HB1 ALA 20 46.485 0.447 2.957 146 HB2 ALA 20 HB2 ALA 20 46.000 -0.453 1.501 147 HB3 ALA 20 HB3 ALA 20 44.836 -0.206 2.824 148 H VAL 21 HN VAL 21 43.187 3.006 1.928 149 HA VAL 21 HA VAL 21 41.570 1.716 -0.224 150 HB VAL 21 HB VAL 21 40.585 2.079 2.646 151 HG11 VAL 21 HG11 VAL 21 38.612 0.704 1.622 152 HG12 VAL 21 HG12 VAL 21 39.267 1.204 0.046 153 HG13 VAL 21 HG13 VAL 21 38.720 2.429 1.215 154 HG21 VAL 21 HG21 VAL 21 40.417 -0.439 2.594 155 HG22 VAL 21 HG22 VAL 21 42.089 0.152 2.493 156 HG23 VAL 21 HG23 VAL 21 41.262 -0.423 1.028 157 H ASN 22 HN ASN 22 42.742 4.315 1.528 158 HA ASN 22 HA ASN 22 42.557 6.575 0.751 159 HB2 ASN 22 HB2 ASN 22 40.842 5.867 -1.040 160 HB3 ASN 22 HB1 ASN 22 39.597 6.153 0.205 161 HD21 ASN 22 HD21 ASN 22 41.767 7.682 -2.088 162 HD22 ASN 22 HD22 ASN 22 41.342 9.346 -1.674 163 H HIS 23 HN HIS 23 40.089 4.834 2.579 164 HA HIS 23 HA HIS 23 40.465 6.700 4.841 165 HB2 HIS 23 HB2 HIS 23 37.814 6.436 3.368 166 HB3 HIS 23 HB1 HIS 23 37.948 7.051 5.031 167 HD1 HIS 23 HD1 HIS 23 37.582 8.355 1.798 168 HD2 HIS 23 HD2 HIS 23 40.317 9.172 4.887 169 HE1 HIS 23 HE1 HIS 23 38.539 10.685 1.370 170 H TYR 24 HN TYR 24 38.375 5.976 6.431 171 HA TYR 24 HA TYR 24 37.637 4.293 7.829 172 HB2 TYR 24 HB2 TYR 24 38.245 2.253 5.665 173 HB3 TYR 24 HB1 TYR 24 36.983 2.209 6.917 174 HD1 TYR 24 HD1 TYR 24 37.536 2.847 3.488 175 HD2 TYR 24 HD2 TYR 24 35.383 4.392 6.897 176 HE1 TYR 24 HE1 TYR 24 35.932 3.985 1.961 177 HE2 TYR 24 HE2 TYR 24 33.781 5.530 5.367 178 HH TYR 24 HH TYR 24 34.090 5.267 1.823 179 H LEU 25 HN LEU 25 40.518 5.066 7.532 180 HA LEU 25 HA LEU 25 42.589 4.368 8.307 181 HB2 LEU 25 HB2 LEU 25 41.462 4.441 10.437 182 HB3 LEU 25 HB1 LEU 25 40.695 2.865 10.153 183 HG LEU 25 HG LEU 25 42.816 1.709 10.340 184 HD11 LEU 25 HD11 LEU 25 44.906 3.139 10.919 185 HD12 LEU 25 HD12 LEU 25 43.987 4.518 10.270 186 HD13 LEU 25 HD13 LEU 25 44.372 3.130 9.223 187 HD21 LEU 25 HD21 LEU 25 42.636 3.874 12.484 188 HD22 LEU 25 HD22 LEU 25 43.462 2.306 12.649 189 HD23 LEU 25 HD23 LEU 25 41.693 2.365 12.461 Start of MODEL 72 1 H1 GLY 1 HT1 GLY 1 66.994 11.738 2.840 2 H2 GLY 1 HT2 GLY 1 65.534 11.484 2.008 3 H3 GLY 1 HT3 GLY 1 66.235 13.031 2.051 4 HA2 GLY 1 HA1 GLY 1 68.239 11.775 1.011 5 HA3 GLY 1 HA2 GLY 1 66.935 10.691 0.485 6 H TRP 2 HN TRP 2 65.947 11.149 -1.358 7 HA TRP 2 HA TRP 2 66.705 13.276 -3.032 8 HB2 TRP 2 HB2 TRP 2 64.020 11.843 -2.960 9 HB3 TRP 2 HB1 TRP 2 64.682 12.758 -4.336 10 HD1 TRP 2 HD1 TRP 2 66.598 11.657 -5.743 11 HE1 TRP 2 HE1 TRP 2 67.595 9.259 -5.872 12 HE3 TRP 2 HE3 TRP 2 64.567 9.706 -1.467 13 HZ2 TRP 2 HZ2 TRP 2 67.504 6.841 -4.311 14 HZ3 TRP 2 HZ3 TRP 2 65.036 7.351 -0.807 15 HH2 TRP 2 HH2 TRP 2 66.502 5.918 -2.223 16 H GLY 3 HN GLY 3 65.464 15.127 -3.811 17 HA2 GLY 3 HA1 GLY 3 64.712 16.852 -1.660 18 HA3 GLY 3 HA2 GLY 3 64.452 17.162 -3.388 19 H SER 4 HN SER 4 62.878 14.648 -3.688 20 HA SER 4 HA SER 4 60.619 14.123 -3.715 21 HB2 SER 4 HB2 SER 4 60.861 15.103 -0.846 22 HB3 SER 4 HB1 SER 4 59.452 14.240 -1.500 23 HG SER 4 HG SER 4 61.164 12.947 -0.437 24 H ILE 5 HN ILE 5 59.639 15.437 -5.163 25 HA ILE 5 HA ILE 5 59.130 18.250 -4.593 26 HB ILE 5 HB ILE 5 57.792 16.511 -6.709 27 HG12 ILE 5 HG12 ILE 5 60.129 16.149 -7.052 28 HG13 ILE 5 HG11 ILE 5 59.678 17.407 -8.216 29 HG21 ILE 5 HG21 ILE 5 58.185 19.503 -6.325 30 HG22 ILE 5 HG22 ILE 5 56.685 18.598 -6.614 31 HG23 ILE 5 HG23 ILE 5 57.859 18.809 -7.929 32 HD11 ILE 5 HD1 ILE 5 61.196 17.713 -5.598 33 HD12 ILE 5 HD2 ILE 5 60.459 19.107 -6.422 34 HD13 ILE 5 HD3 ILE 5 61.720 18.158 -7.238 35 H PHE 6 HN PHE 6 58.124 17.656 -2.428 36 HA PHE 6 HA PHE 6 56.228 17.467 -1.103 37 HB2 PHE 6 HB2 PHE 6 54.728 18.435 -3.562 38 HB3 PHE 6 HB1 PHE 6 54.276 18.650 -1.854 39 HD1 PHE 6 HD1 PHE 6 56.339 19.891 -4.620 40 HD2 PHE 6 HD2 PHE 6 55.664 20.119 -0.362 41 HE1 PHE 6 HE1 PHE 6 57.660 22.002 -4.523 42 HE2 PHE 6 HE2 PHE 6 56.985 22.230 -0.266 43 HZ PHE 6 HZ PHE 6 57.931 23.202 -2.357 44 H LYS 7 HN LYS 7 56.922 15.329 -3.339 45 HA LYS 7 HA LYS 7 54.373 14.033 -3.836 46 HB2 LYS 7 HB2 LYS 7 55.875 12.063 -4.454 47 HB3 LYS 7 HB1 LYS 7 56.152 13.570 -5.359 48 HG2 LYS 7 HG2 LYS 7 58.112 14.101 -4.092 49 HG3 LYS 7 HG1 LYS 7 57.734 12.884 -2.852 50 HD2 LYS 7 HD2 LYS 7 59.541 12.120 -4.394 51 HD3 LYS 7 HD1 LYS 7 58.106 11.070 -4.462 52 HE2 LYS 7 HE2 LYS 7 59.170 11.782 -6.716 53 HE3 LYS 7 HE1 LYS 7 57.409 11.963 -6.551 54 HZ1 LYS 7 HZ1 LYS 7 58.738 13.924 -7.472 55 HZ2 LYS 7 HZ2 LYS 7 59.258 14.176 -5.874 56 HZ3 LYS 7 HZ3 LYS 7 57.603 14.251 -6.254 57 H HIS 8 HN HIS 8 56.802 13.910 -1.285 58 HA HIS 8 HA HIS 8 55.539 11.520 -0.043 59 HB2 HIS 8 HB2 HIS 8 58.037 11.890 -0.065 60 HB3 HIS 8 HB1 HIS 8 57.784 13.286 1.011 61 HD1 HIS 8 HD1 HIS 8 57.802 12.790 3.456 62 HD2 HIS 8 HD2 HIS 8 56.905 9.385 1.157 63 HE1 HIS 8 HE1 HIS 8 57.573 10.822 5.068 64 H GLY 9 HN GLY 9 53.462 12.873 0.023 65 HA2 GLY 9 HA1 GLY 9 52.748 13.429 2.643 66 HA3 GLY 9 HA2 GLY 9 53.336 14.985 2.024 67 H ARG 10 HN ARG 10 52.509 14.922 -0.600 68 HA ARG 10 HA ARG 10 49.583 15.303 -0.231 69 HB2 ARG 10 HB2 ARG 10 51.404 15.925 -2.591 70 HB3 ARG 10 HB1 ARG 10 49.702 16.418 -2.420 71 HG2 ARG 10 HG2 ARG 10 50.367 17.587 -0.255 72 HG3 ARG 10 HG1 ARG 10 52.063 17.275 -0.698 73 HD2 ARG 10 HD2 ARG 10 51.440 19.515 -1.455 74 HD3 ARG 10 HD1 ARG 10 51.666 18.463 -2.874 75 HE ARG 10 HE ARG 10 48.899 18.483 -1.994 76 HH11 ARG 10 HH11 ARG 10 47.619 19.053 -3.835 77 HH12 ARG 10 HH12 ARG 10 48.131 20.404 -4.792 78 HH21 ARG 10 HH21 ARG 10 51.175 20.740 -3.163 79 HH22 ARG 10 HH22 ARG 10 50.144 21.360 -4.411 80 H HIS 11 HN HIS 11 51.564 12.781 -1.016 81 HA HIS 11 HA HIS 11 49.373 11.250 -2.130 82 HB2 HIS 11 HB2 HIS 11 50.085 12.484 -4.185 83 HB3 HIS 11 HB1 HIS 11 51.721 11.814 -3.983 84 HD1 HIS 11 HD1 HIS 11 48.099 10.670 -4.505 85 HD2 HIS 11 HD2 HIS 11 52.027 9.271 -5.057 86 HE1 HIS 11 HE1 HIS 11 47.945 8.427 -5.716 87 H ALA 12 HN ALA 12 49.570 9.217 -2.020 88 HA ALA 12 HA ALA 12 50.328 7.145 -1.406 89 HB1 ALA 12 HB1 ALA 12 52.927 8.423 -1.112 90 HB2 ALA 12 HB2 ALA 12 52.350 7.929 -2.708 91 HB3 ALA 12 HB3 ALA 12 52.641 6.721 -1.429 92 H ALA 13 HN ALA 13 51.617 10.056 0.122 93 HA ALA 13 HA ALA 13 51.885 8.805 2.752 94 HB1 ALA 13 HB1 ALA 13 51.368 11.644 1.719 95 HB2 ALA 13 HB2 ALA 13 52.783 11.059 2.629 96 HB3 ALA 13 HB3 ALA 13 51.211 11.242 3.446 97 H LYS 14 HN LYS 14 50.188 8.892 0.048 98 HA LYS 14 HA LYS 14 47.369 8.738 1.395 99 HB2 LYS 14 HB2 LYS 14 48.037 10.384 -0.523 100 HB3 LYS 14 HB1 LYS 14 48.190 8.898 -1.526 101 HG2 LYS 14 HG2 LYS 14 45.882 8.672 -1.707 102 HG3 LYS 14 HG1 LYS 14 45.580 9.171 -0.028 103 HD2 LYS 14 HD2 LYS 14 45.805 11.518 -0.625 104 HD3 LYS 14 HD1 LYS 14 46.334 11.094 -2.271 105 HE2 LYS 14 HE2 LYS 14 43.948 11.726 -2.268 106 HE3 LYS 14 HE1 LYS 14 44.137 10.007 -2.685 107 HZ1 LYS 14 HZ1 LYS 14 42.377 10.421 -1.030 108 HZ2 LYS 14 HZ2 LYS 14 43.542 11.030 0.046 109 HZ3 LYS 14 HZ3 LYS 14 43.598 9.403 -0.438 110 H HIS 15 HN HIS 15 46.024 7.467 -0.464 111 HA HIS 15 HA HIS 15 45.367 5.242 -0.825 112 HB2 HIS 15 HB2 HIS 15 46.411 6.172 -2.923 113 HB3 HIS 15 HB1 HIS 15 47.923 5.352 -2.468 114 HD1 HIS 15 HD1 HIS 15 45.203 3.299 -1.286 115 HD2 HIS 15 HD2 HIS 15 47.125 3.843 -4.985 116 HE1 HIS 15 HE1 HIS 15 44.606 1.295 -2.756 117 H ILE 16 HN ILE 16 47.372 5.628 1.423 118 HA ILE 16 HA ILE 16 47.581 3.111 2.276 119 HB ILE 16 HB ILE 16 49.048 2.285 0.607 120 HG12 ILE 16 HG12 ILE 16 51.141 3.115 2.643 121 HG13 ILE 16 HG11 ILE 16 49.804 2.071 3.161 122 HG21 ILE 16 HG21 ILE 16 49.728 4.377 -0.500 123 HG22 ILE 16 HG22 ILE 16 51.202 3.552 0.032 124 HG23 ILE 16 HG23 ILE 16 50.571 4.904 0.969 125 HD11 ILE 16 HD1 ILE 16 50.386 0.480 1.292 126 HD12 ILE 16 HD2 ILE 16 51.675 0.664 2.503 127 HD13 ILE 16 HD3 ILE 16 51.808 1.489 0.934 128 H GLY 17 HN GLY 17 49.366 5.883 1.937 129 HA2 GLY 17 HA1 GLY 17 50.166 5.941 4.758 130 HA3 GLY 17 HA2 GLY 17 50.324 7.271 3.592 131 H HIS 18 HN HIS 18 47.441 6.388 2.749 132 HA HIS 18 HA HIS 18 46.081 8.261 4.648 133 HB2 HIS 18 HB2 HIS 18 45.635 7.260 1.883 134 HB3 HIS 18 HB1 HIS 18 44.147 7.303 2.841 135 HD1 HIS 18 HD1 HIS 18 46.939 9.803 3.430 136 HD2 HIS 18 HD2 HIS 18 43.133 9.649 1.650 137 HE1 HIS 18 HE1 HIS 18 46.267 12.202 2.859 138 H ALA 19 HN ALA 19 45.845 4.818 3.500 139 HA ALA 19 HA ALA 19 44.972 3.981 6.153 140 HB1 ALA 19 HB1 ALA 19 42.792 3.907 4.048 141 HB2 ALA 19 HB2 ALA 19 42.907 5.186 5.280 142 HB3 ALA 19 HB3 ALA 19 42.668 3.495 5.774 143 H ALA 20 HN ALA 20 46.927 3.090 4.251 144 HA ALA 20 HA ALA 20 47.698 1.065 3.429 145 HB1 ALA 20 HB1 ALA 20 45.235 -0.334 4.489 146 HB2 ALA 20 HB2 ALA 20 46.491 0.272 5.593 147 HB3 ALA 20 HB3 ALA 20 46.902 -0.938 4.355 148 H VAL 21 HN VAL 21 44.589 2.324 2.612 149 HA VAL 21 HA VAL 21 44.810 1.070 -0.074 150 HB VAL 21 HB VAL 21 42.202 0.924 1.500 151 HG11 VAL 21 HG11 VAL 21 43.132 -0.232 -1.166 152 HG12 VAL 21 HG12 VAL 21 41.950 1.078 -0.939 153 HG13 VAL 21 HG13 VAL 21 41.563 -0.573 -0.397 154 HG21 VAL 21 HG21 VAL 21 42.657 -1.568 1.478 155 HG22 VAL 21 HG22 VAL 21 43.748 -0.641 2.534 156 HG23 VAL 21 HG23 VAL 21 44.313 -1.206 0.943 157 H ASN 22 HN ASN 22 43.462 3.413 2.173 158 HA ASN 22 HA ASN 22 43.556 5.735 0.877 159 HB2 ASN 22 HB2 ASN 22 42.620 5.167 -1.220 160 HB3 ASN 22 HB1 ASN 22 41.358 4.145 -0.492 161 HD21 ASN 22 HD21 ASN 22 42.365 7.564 0.241 162 HD22 ASN 22 HD22 ASN 22 40.763 8.244 -0.063 163 H HIS 23 HN HIS 23 40.945 3.601 2.089 164 HA HIS 23 HA HIS 23 40.629 5.193 4.485 165 HB2 HIS 23 HB2 HIS 23 39.520 6.732 2.885 166 HB3 HIS 23 HB1 HIS 23 38.418 5.420 2.402 167 HD1 HIS 23 HD1 HIS 23 36.204 5.736 3.494 168 HD2 HIS 23 HD2 HIS 23 39.380 6.761 6.057 169 HE1 HIS 23 HE1 HIS 23 35.184 6.409 5.738 170 H TYR 24 HN TYR 24 41.139 2.733 4.692 171 HA TYR 24 HA TYR 24 38.926 0.902 4.301 172 HB2 TYR 24 HB2 TYR 24 41.381 0.285 4.470 173 HB3 TYR 24 HB1 TYR 24 41.268 0.602 6.217 174 HD1 TYR 24 HD1 TYR 24 40.315 -1.022 7.697 175 HD2 TYR 24 HD2 TYR 24 39.817 -1.446 3.430 176 HE1 TYR 24 HE1 TYR 24 39.356 -3.299 8.034 177 HE2 TYR 24 HE2 TYR 24 38.859 -3.721 3.767 178 HH TYR 24 HH TYR 24 37.734 -4.898 6.555 179 H LEU 25 HN LEU 25 39.724 3.268 6.694 180 HA LEU 25 HA LEU 25 38.597 3.909 8.610 181 HB2 LEU 25 HB2 LEU 25 36.594 3.234 7.010 182 HB3 LEU 25 HB1 LEU 25 36.422 1.854 8.114 183 HG LEU 25 HG LEU 25 36.355 4.811 8.874 184 HD11 LEU 25 HD11 LEU 25 34.223 2.629 8.970 185 HD12 LEU 25 HD12 LEU 25 34.313 3.927 7.754 186 HD13 LEU 25 HD13 LEU 25 34.011 4.326 9.463 187 HD21 LEU 25 HD21 LEU 25 37.373 3.707 10.728 188 HD22 LEU 25 HD22 LEU 25 36.355 2.259 10.537 189 HD23 LEU 25 HD23 LEU 25 35.647 3.773 11.150 Start of MODEL 73 1 H1 GLY 1 HT1 GLY 1 65.647 15.980 6.569 2 H2 GLY 1 HT2 GLY 1 65.094 14.378 6.427 3 H3 GLY 1 HT3 GLY 1 64.480 15.389 7.648 4 HA2 GLY 1 HA1 GLY 1 62.835 15.311 6.055 5 HA3 GLY 1 HA2 GLY 1 63.652 16.875 5.863 6 H TRP 2 HN TRP 2 62.694 13.966 4.365 7 HA TRP 2 HA TRP 2 64.581 13.580 2.326 8 HB2 TRP 2 HB2 TRP 2 61.545 13.421 2.182 9 HB3 TRP 2 HB1 TRP 2 62.653 12.766 0.953 10 HD1 TRP 2 HD1 TRP 2 64.557 10.980 2.006 11 HE1 TRP 2 HE1 TRP 2 64.197 9.074 3.737 12 HE3 TRP 2 HE3 TRP 2 60.190 12.621 4.116 13 HZ2 TRP 2 HZ2 TRP 2 62.261 8.386 5.755 14 HZ3 TRP 2 HZ3 TRP 2 59.105 11.324 5.943 15 HH2 TRP 2 HH2 TRP 2 60.136 9.210 6.764 16 H GLY 3 HN GLY 3 64.962 14.415 0.294 17 HA2 GLY 3 HA1 GLY 3 64.380 17.248 -0.008 18 HA3 GLY 3 HA2 GLY 3 65.249 16.210 -1.156 19 H SER 4 HN SER 4 62.433 14.635 -0.446 20 HA SER 4 HA SER 4 61.310 14.846 -3.002 21 HB2 SER 4 HB2 SER 4 59.997 14.311 -0.316 22 HB3 SER 4 HB1 SER 4 59.152 14.133 -1.869 23 HG SER 4 HG SER 4 60.273 12.216 -0.941 24 H ILE 5 HN ILE 5 60.129 16.285 -4.098 25 HA ILE 5 HA ILE 5 59.680 18.917 -2.918 26 HB ILE 5 HB ILE 5 58.563 17.894 -5.563 27 HG12 ILE 5 HG12 ILE 5 61.342 18.980 -4.911 28 HG13 ILE 5 HG11 ILE 5 60.954 17.341 -5.485 29 HG21 ILE 5 HG21 ILE 5 58.562 20.208 -6.192 30 HG22 ILE 5 HG22 ILE 5 59.564 20.668 -4.794 31 HG23 ILE 5 HG23 ILE 5 57.874 20.163 -4.553 32 HD11 ILE 5 HD1 ILE 5 60.771 19.970 -6.994 33 HD12 ILE 5 HD2 ILE 5 59.869 18.532 -7.534 34 HD13 ILE 5 HD3 ILE 5 61.645 18.488 -7.445 35 H PHE 6 HN PHE 6 58.344 17.889 -1.120 36 HA PHE 6 HA PHE 6 56.275 17.558 -0.133 37 HB2 PHE 6 HB2 PHE 6 55.421 19.297 -2.481 38 HB3 PHE 6 HB1 PHE 6 54.378 18.888 -1.098 39 HD1 PHE 6 HD1 PHE 6 54.942 19.681 1.189 40 HD2 PHE 6 HD2 PHE 6 57.264 20.866 -2.250 41 HE1 PHE 6 HE1 PHE 6 55.974 21.518 2.519 42 HE2 PHE 6 HE2 PHE 6 58.295 22.704 -0.921 43 HZ PHE 6 HZ PHE 6 57.701 22.986 1.482 44 H LYS 7 HN LYS 7 57.237 15.801 -2.496 45 HA LYS 7 HA LYS 7 54.786 14.846 -3.739 46 HB2 LYS 7 HB2 LYS 7 57.507 13.505 -3.454 47 HB3 LYS 7 HB1 LYS 7 56.197 12.993 -4.545 48 HG2 LYS 7 HG2 LYS 7 56.362 14.995 -5.852 49 HG3 LYS 7 HG1 LYS 7 57.377 15.798 -4.630 50 HD2 LYS 7 HD2 LYS 7 58.731 15.017 -6.557 51 HD3 LYS 7 HD1 LYS 7 59.196 14.184 -5.056 52 HE2 LYS 7 HE2 LYS 7 58.094 12.175 -5.694 53 HE3 LYS 7 HE1 LYS 7 57.142 12.994 -6.958 54 HZ1 LYS 7 HZ1 LYS 7 59.788 13.481 -7.569 55 HZ2 LYS 7 HZ2 LYS 7 58.736 12.412 -8.366 56 HZ3 LYS 7 HZ3 LYS 7 59.743 11.847 -7.118 57 H HIS 8 HN HIS 8 56.976 13.509 -1.218 58 HA HIS 8 HA HIS 8 55.097 11.363 -0.578 59 HB2 HIS 8 HB2 HIS 8 57.546 11.111 -0.291 60 HB3 HIS 8 HB1 HIS 8 57.524 12.389 0.949 61 HD1 HIS 8 HD1 HIS 8 54.967 9.574 0.493 62 HD2 HIS 8 HD2 HIS 8 57.829 10.896 3.277 63 HE1 HIS 8 HE1 HIS 8 54.748 8.099 2.568 64 H GLY 9 HN GLY 9 53.339 13.152 -0.391 65 HA2 GLY 9 HA1 GLY 9 52.665 13.325 2.406 66 HA3 GLY 9 HA2 GLY 9 53.195 14.905 1.796 67 H ARG 10 HN ARG 10 52.230 14.776 -0.825 68 HA ARG 10 HA ARG 10 49.331 15.182 -0.290 69 HB2 ARG 10 HB2 ARG 10 51.049 15.751 -2.740 70 HB3 ARG 10 HB1 ARG 10 49.335 16.196 -2.556 71 HG2 ARG 10 HG2 ARG 10 49.826 17.685 -0.727 72 HG3 ARG 10 HG1 ARG 10 51.496 17.079 -0.598 73 HD2 ARG 10 HD2 ARG 10 51.142 19.336 -1.824 74 HD3 ARG 10 HD1 ARG 10 52.152 18.115 -2.634 75 HE ARG 10 HE ARG 10 49.403 17.819 -3.448 76 HH11 ARG 10 HH11 ARG 10 52.461 19.137 -4.153 77 HH12 ARG 10 HH12 ARG 10 51.936 20.003 -5.559 78 HH21 ARG 10 HH21 ARG 10 48.585 19.234 -5.103 79 HH22 ARG 10 HH22 ARG 10 49.741 20.057 -6.097 80 H HIS 11 HN HIS 11 51.272 12.648 -1.132 81 HA HIS 11 HA HIS 11 49.016 11.080 -2.048 82 HB2 HIS 11 HB2 HIS 11 49.833 10.488 -4.269 83 HB3 HIS 11 HB1 HIS 11 49.606 12.250 -4.185 84 HD1 HIS 11 HD1 HIS 11 51.513 13.550 -5.104 85 HD2 HIS 11 HD2 HIS 11 52.733 9.806 -3.640 86 HE1 HIS 11 HE1 HIS 11 54.034 13.371 -5.474 87 H ALA 12 HN ALA 12 49.233 9.049 -1.930 88 HA ALA 12 HA ALA 12 50.016 7.002 -1.304 89 HB1 ALA 12 HB1 ALA 12 51.987 7.753 -2.706 90 HB2 ALA 12 HB2 ALA 12 52.318 6.563 -1.421 91 HB3 ALA 12 HB3 ALA 12 52.628 8.281 -1.160 92 H ALA 13 HN ALA 13 51.366 9.941 0.116 93 HA ALA 13 HA ALA 13 51.758 8.730 2.753 94 HB1 ALA 13 HB1 ALA 13 51.295 11.538 1.647 95 HB2 ALA 13 HB2 ALA 13 52.628 10.964 2.679 96 HB3 ALA 13 HB3 ALA 13 51.008 11.217 3.373 97 H LYS 14 HN LYS 14 49.946 8.762 0.128 98 HA LYS 14 HA LYS 14 47.196 8.612 1.605 99 HB2 LYS 14 HB2 LYS 14 47.767 10.257 -0.347 100 HB3 LYS 14 HB1 LYS 14 47.881 8.762 -1.349 101 HG2 LYS 14 HG2 LYS 14 45.566 8.536 -1.428 102 HG3 LYS 14 HG1 LYS 14 45.340 9.021 0.267 103 HD2 LYS 14 HD2 LYS 14 45.630 11.394 -0.365 104 HD3 LYS 14 HD1 LYS 14 45.896 10.917 -2.060 105 HE2 LYS 14 HE2 LYS 14 43.375 10.229 -0.492 106 HE3 LYS 14 HE1 LYS 14 43.526 11.662 -1.538 107 HZ1 LYS 14 HZ1 LYS 14 44.015 10.221 -3.402 108 HZ2 LYS 14 HZ2 LYS 14 42.537 9.766 -2.698 109 HZ3 LYS 14 HZ3 LYS 14 43.935 8.844 -2.414 110 H HIS 15 HN HIS 15 45.775 7.314 -0.206 111 HA HIS 15 HA HIS 15 45.135 5.081 -0.551 112 HB2 HIS 15 HB2 HIS 15 46.076 5.962 -2.685 113 HB3 HIS 15 HB1 HIS 15 47.657 5.276 -2.241 114 HD1 HIS 15 HD1 HIS 15 44.053 4.207 -2.966 115 HD2 HIS 15 HD2 HIS 15 47.928 2.578 -2.864 116 HE1 HIS 15 HE1 HIS 15 43.895 1.810 -3.838 117 H ILE 16 HN ILE 16 47.218 5.519 1.643 118 HA ILE 16 HA ILE 16 47.451 3.011 2.531 119 HB ILE 16 HB ILE 16 48.868 2.171 0.824 120 HG12 ILE 16 HG12 ILE 16 51.016 3.027 2.790 121 HG13 ILE 16 HG11 ILE 16 49.698 1.982 3.355 122 HG21 ILE 16 HG21 ILE 16 51.003 3.441 0.178 123 HG22 ILE 16 HG22 ILE 16 50.384 4.801 1.112 124 HG23 ILE 16 HG23 ILE 16 49.506 4.249 -0.325 125 HD11 ILE 16 HD1 ILE 16 51.638 1.387 1.075 126 HD12 ILE 16 HD2 ILE 16 50.232 0.378 1.484 127 HD13 ILE 16 HD3 ILE 16 51.555 0.576 2.654 128 H GLY 17 HN GLY 17 49.193 5.796 2.096 129 HA2 GLY 17 HA1 GLY 17 50.106 5.892 4.882 130 HA3 GLY 17 HA2 GLY 17 50.208 7.208 3.694 131 H HIS 18 HN HIS 18 47.282 6.286 2.999 132 HA HIS 18 HA HIS 18 46.011 8.161 4.974 133 HB2 HIS 18 HB2 HIS 18 45.429 7.205 2.205 134 HB3 HIS 18 HB1 HIS 18 43.994 7.340 3.235 135 HD1 HIS 18 HD1 HIS 18 46.941 9.665 3.726 136 HD2 HIS 18 HD2 HIS 18 43.121 9.730 1.965 137 HE1 HIS 18 HE1 HIS 18 46.400 12.099 3.170 138 H ALA 19 HN ALA 19 45.750 4.742 3.774 139 HA ALA 19 HA ALA 19 44.893 3.868 6.420 140 HB1 ALA 19 HB1 ALA 19 42.704 3.776 4.328 141 HB2 ALA 19 HB2 ALA 19 42.823 5.085 5.530 142 HB3 ALA 19 HB3 ALA 19 42.592 3.405 6.065 143 H ALA 20 HN ALA 20 46.863 2.975 4.593 144 HA ALA 20 HA ALA 20 47.628 0.948 3.779 145 HB1 ALA 20 HB1 ALA 20 45.052 -0.443 4.531 146 HB2 ALA 20 HB2 ALA 20 46.161 0.124 5.800 147 HB3 ALA 20 HB3 ALA 20 46.724 -1.050 4.586 148 H VAL 21 HN VAL 21 44.522 2.257 2.853 149 HA VAL 21 HA VAL 21 44.995 1.273 0.085 150 HB VAL 21 HB VAL 21 42.320 0.826 1.484 151 HG11 VAL 21 HG11 VAL 21 42.065 1.294 -0.891 152 HG12 VAL 21 HG12 VAL 21 41.863 -0.455 -0.651 153 HG13 VAL 21 HG13 VAL 21 43.393 0.184 -1.299 154 HG21 VAL 21 HG21 VAL 21 42.909 -1.622 1.111 155 HG22 VAL 21 HG22 VAL 21 43.894 -0.805 2.345 156 HG23 VAL 21 HG23 VAL 21 44.564 -1.095 0.722 157 H ASN 22 HN ASN 22 43.299 3.317 2.414 158 HA ASN 22 HA ASN 22 43.402 5.733 1.171 159 HB2 ASN 22 HB2 ASN 22 41.404 4.015 -0.288 160 HB3 ASN 22 HB1 ASN 22 40.868 5.661 0.094 161 HD21 ASN 22 HD21 ASN 22 41.806 4.226 -2.535 162 HD22 ASN 22 HD22 ASN 22 42.973 5.376 -3.198 163 H HIS 23 HN HIS 23 40.833 3.520 2.353 164 HA HIS 23 HA HIS 23 40.562 5.008 4.824 165 HB2 HIS 23 HB2 HIS 23 39.415 6.598 3.294 166 HB3 HIS 23 HB1 HIS 23 38.298 5.300 2.808 167 HD1 HIS 23 HD1 HIS 23 39.338 7.364 5.850 168 HD2 HIS 23 HD2 HIS 23 36.192 4.873 4.591 169 HE1 HIS 23 HE1 HIS 23 37.514 7.479 7.636 170 H TYR 24 HN TYR 24 40.366 2.310 3.005 171 HA TYR 24 HA TYR 24 37.992 1.058 4.171 172 HB2 TYR 24 HB2 TYR 24 40.391 -0.061 2.670 173 HB3 TYR 24 HB1 TYR 24 38.984 -1.028 3.175 174 HD1 TYR 24 HD1 TYR 24 36.825 -0.787 2.078 175 HD2 TYR 24 HD2 TYR 24 40.145 1.746 0.985 176 HE1 TYR 24 HE1 TYR 24 35.580 -0.028 0.058 177 HE2 TYR 24 HE2 TYR 24 38.900 2.506 -1.035 178 HH TYR 24 HH TYR 24 35.856 2.367 -1.513 179 H LEU 25 HN LEU 25 39.598 2.213 6.189 180 HA LEU 25 HA LEU 25 41.263 0.151 7.407 181 HB2 LEU 25 HB2 LEU 25 40.954 1.767 9.474 182 HB3 LEU 25 HB1 LEU 25 41.904 2.302 8.073 183 HG LEU 25 HG LEU 25 40.031 3.586 7.205 184 HD11 LEU 25 HD11 LEU 25 38.123 2.221 7.727 185 HD12 LEU 25 HD12 LEU 25 37.907 3.722 8.652 186 HD13 LEU 25 HD13 LEU 25 38.489 2.252 9.469 187 HD21 LEU 25 HD21 LEU 25 39.724 5.193 9.077 188 HD22 LEU 25 HD22 LEU 25 41.415 4.654 8.943 189 HD23 LEU 25 HD23 LEU 25 40.363 3.979 10.211 Start of MODEL 74 1 H1 GLY 1 HT1 GLY 1 64.553 21.596 0.066 2 H2 GLY 1 HT2 GLY 1 64.343 20.040 -0.583 3 H3 GLY 1 HT3 GLY 1 64.435 21.389 -1.612 4 HA2 GLY 1 HA1 GLY 1 66.638 21.594 -1.446 5 HA3 GLY 1 HA2 GLY 1 66.653 20.904 0.189 6 H TRP 2 HN TRP 2 65.133 18.568 -0.315 7 HA TRP 2 HA TRP 2 67.245 16.885 -1.391 8 HB2 TRP 2 HB2 TRP 2 64.370 16.256 -0.611 9 HB3 TRP 2 HB1 TRP 2 65.617 15.045 -0.992 10 HD1 TRP 2 HD1 TRP 2 64.574 17.567 1.665 11 HE1 TRP 2 HE1 TRP 2 65.951 17.181 3.838 12 HE3 TRP 2 HE3 TRP 2 67.931 14.133 -0.107 13 HZ2 TRP 2 HZ2 TRP 2 68.204 15.586 4.660 14 HZ3 TRP 2 HZ3 TRP 2 69.685 13.192 1.389 15 HH2 TRP 2 HH2 TRP 2 69.825 13.915 3.769 16 H GLY 3 HN GLY 3 63.803 16.722 -2.306 17 HA2 GLY 3 HA1 GLY 3 63.932 17.547 -4.962 18 HA3 GLY 3 HA2 GLY 3 64.487 15.861 -4.989 19 H SER 4 HN SER 4 62.371 16.496 -2.410 20 HA SER 4 HA SER 4 59.879 16.034 -3.917 21 HB2 SER 4 HB2 SER 4 61.097 13.874 -2.155 22 HB3 SER 4 HB1 SER 4 59.386 13.909 -2.635 23 HG SER 4 HG SER 4 61.293 12.847 -3.984 24 H ILE 5 HN ILE 5 59.430 18.049 -2.871 25 HA ILE 5 HA ILE 5 59.360 18.140 0.065 26 HB ILE 5 HB ILE 5 58.331 20.053 -2.084 27 HG12 ILE 5 HG12 ILE 5 60.224 21.466 -1.245 28 HG13 ILE 5 HG11 ILE 5 60.700 20.147 -0.152 29 HG21 ILE 5 HG21 ILE 5 58.280 20.216 0.957 30 HG22 ILE 5 HG22 ILE 5 56.921 20.421 -0.173 31 HG23 ILE 5 HG23 ILE 5 58.188 21.664 -0.074 32 HD11 ILE 5 HD1 ILE 5 61.869 20.403 -2.532 33 HD12 ILE 5 HD2 ILE 5 60.413 19.564 -3.115 34 HD13 ILE 5 HD3 ILE 5 61.468 18.787 -1.908 35 H PHE 6 HN PHE 6 56.705 19.054 -2.138 36 HA PHE 6 HA PHE 6 54.723 18.092 -0.254 37 HB2 PHE 6 HB2 PHE 6 54.285 18.761 -3.186 38 HB3 PHE 6 HB1 PHE 6 53.104 18.836 -1.855 39 HD1 PHE 6 HD1 PHE 6 55.801 20.583 -3.600 40 HD2 PHE 6 HD2 PHE 6 53.416 20.527 -0.002 41 HE1 PHE 6 HE1 PHE 6 56.476 22.932 -3.118 42 HE2 PHE 6 HE2 PHE 6 54.092 22.877 0.480 43 HZ PHE 6 HZ PHE 6 55.584 24.094 -1.101 44 H LYS 7 HN LYS 7 56.219 16.809 -3.202 45 HA LYS 7 HA LYS 7 54.448 14.742 -3.845 46 HB2 LYS 7 HB2 LYS 7 57.491 14.707 -3.848 47 HB3 LYS 7 HB1 LYS 7 56.462 13.511 -4.671 48 HG2 LYS 7 HG2 LYS 7 55.428 15.304 -6.018 49 HG3 LYS 7 HG1 LYS 7 56.428 16.518 -5.183 50 HD2 LYS 7 HD2 LYS 7 58.475 15.493 -6.049 51 HD3 LYS 7 HD1 LYS 7 57.533 14.180 -6.798 52 HE2 LYS 7 HE2 LYS 7 58.181 15.999 -8.418 53 HE3 LYS 7 HE1 LYS 7 56.423 15.752 -8.293 54 HZ1 LYS 7 HZ1 LYS 7 57.620 17.681 -6.455 55 HZ2 LYS 7 HZ2 LYS 7 56.128 17.729 -7.266 56 HZ3 LYS 7 HZ3 LYS 7 57.560 18.133 -8.088 57 H HIS 8 HN HIS 8 57.365 14.310 -1.778 58 HA HIS 8 HA HIS 8 56.306 11.794 -0.720 59 HB2 HIS 8 HB2 HIS 8 58.723 12.131 -1.012 60 HB3 HIS 8 HB1 HIS 8 58.686 13.496 0.129 61 HD1 HIS 8 HD1 HIS 8 60.380 12.094 1.652 62 HD2 HIS 8 HD2 HIS 8 56.510 10.498 1.259 63 HE1 HIS 8 HE1 HIS 8 60.103 10.313 3.462 64 H GLY 9 HN GLY 9 54.236 13.124 -0.127 65 HA2 GLY 9 HA1 GLY 9 53.933 13.088 2.648 66 HA3 GLY 9 HA2 GLY 9 54.390 14.758 2.259 67 H ARG 10 HN ARG 10 53.071 14.466 -0.446 68 HA ARG 10 HA ARG 10 50.280 15.007 0.524 69 HB2 ARG 10 HB2 ARG 10 51.693 16.723 -0.824 70 HB3 ARG 10 HB1 ARG 10 51.409 15.665 -2.222 71 HG2 ARG 10 HG2 ARG 10 48.979 15.899 -1.953 72 HG3 ARG 10 HG1 ARG 10 49.209 16.858 -0.471 73 HD2 ARG 10 HD2 ARG 10 48.777 18.338 -2.395 74 HD3 ARG 10 HD1 ARG 10 50.434 18.576 -1.788 75 HE ARG 10 HE ARG 10 51.191 17.844 -3.893 76 HH11 ARG 10 HH11 ARG 10 47.865 17.723 -4.000 77 HH12 ARG 10 HH12 ARG 10 47.759 16.465 -5.185 78 HH21 ARG 10 HH21 ARG 10 51.147 15.732 -5.095 79 HH22 ARG 10 HH22 ARG 10 49.617 15.336 -5.805 80 H HIS 11 HN HIS 11 52.089 12.541 -0.718 81 HA HIS 11 HA HIS 11 49.663 11.141 -1.657 82 HB2 HIS 11 HB2 HIS 11 50.557 12.243 -3.729 83 HB3 HIS 11 HB1 HIS 11 52.098 11.391 -3.469 84 HD1 HIS 11 HD1 HIS 11 48.381 10.355 -3.485 85 HD2 HIS 11 HD2 HIS 11 52.104 9.096 -4.983 86 HE1 HIS 11 HE1 HIS 11 47.985 8.193 -4.790 87 H ALA 12 HN ALA 12 49.670 9.094 -1.528 88 HA ALA 12 HA ALA 12 50.216 6.982 -0.847 89 HB1 ALA 12 HB1 ALA 12 52.911 8.020 -0.454 90 HB2 ALA 12 HB2 ALA 12 52.355 7.545 -2.062 91 HB3 ALA 12 HB3 ALA 12 52.473 6.349 -0.748 92 H ALA 13 HN ALA 13 51.586 9.831 0.693 93 HA ALA 13 HA ALA 13 51.644 8.612 3.363 94 HB1 ALA 13 HB1 ALA 13 51.250 11.475 2.308 95 HB2 ALA 13 HB2 ALA 13 52.690 10.842 3.143 96 HB3 ALA 13 HB3 ALA 13 51.165 11.056 4.035 97 H LYS 14 HN LYS 14 50.151 8.725 0.555 98 HA LYS 14 HA LYS 14 47.241 8.710 1.698 99 HB2 LYS 14 HB2 LYS 14 48.179 10.345 -0.166 100 HB3 LYS 14 HB1 LYS 14 48.200 8.855 -1.179 101 HG2 LYS 14 HG2 LYS 14 45.577 8.959 0.059 102 HG3 LYS 14 HG1 LYS 14 45.919 10.634 -0.411 103 HD2 LYS 14 HD2 LYS 14 46.566 9.740 -2.719 104 HD3 LYS 14 HD1 LYS 14 45.887 8.178 -2.210 105 HE2 LYS 14 HE2 LYS 14 44.170 9.443 -3.406 106 HE3 LYS 14 HE1 LYS 14 43.723 9.337 -1.687 107 HZ1 LYS 14 HZ1 LYS 14 43.864 11.533 -1.475 108 HZ2 LYS 14 HZ2 LYS 14 43.956 11.629 -3.169 109 HZ3 LYS 14 HZ3 LYS 14 45.377 11.607 -2.238 110 H HIS 15 HN HIS 15 46.141 7.509 -0.555 111 HA HIS 15 HA HIS 15 45.473 5.296 -0.995 112 HB2 HIS 15 HB2 HIS 15 46.906 6.148 -2.873 113 HB3 HIS 15 HB1 HIS 15 48.292 5.313 -2.133 114 HD1 HIS 15 HD1 HIS 15 48.566 2.855 -2.612 115 HD2 HIS 15 HD2 HIS 15 44.713 4.250 -3.557 116 HE1 HIS 15 HE1 HIS 15 47.343 0.961 -3.814 117 H ILE 16 HN ILE 16 47.050 5.618 1.590 118 HA ILE 16 HA ILE 16 47.010 3.100 2.494 119 HB ILE 16 HB ILE 16 48.711 2.230 1.066 120 HG12 ILE 16 HG12 ILE 16 50.191 2.973 3.622 121 HG13 ILE 16 HG11 ILE 16 48.922 1.730 3.562 122 HG21 ILE 16 HG21 ILE 16 50.311 4.718 1.818 123 HG22 ILE 16 HG22 ILE 16 49.673 4.353 0.199 124 HG23 ILE 16 HG23 ILE 16 50.971 3.364 0.897 125 HD11 ILE 16 HD1 ILE 16 51.699 1.692 2.351 126 HD12 ILE 16 HD2 ILE 16 50.410 0.749 1.564 127 HD13 ILE 16 HD3 ILE 16 50.847 0.423 3.255 128 H GLY 17 HN GLY 17 48.937 5.796 2.449 129 HA2 GLY 17 HA1 GLY 17 49.309 5.864 5.345 130 HA3 GLY 17 HA2 GLY 17 49.664 7.183 4.208 131 H HIS 18 HN HIS 18 46.878 6.370 3.016 132 HA HIS 18 HA HIS 18 45.326 8.235 4.817 133 HB2 HIS 18 HB2 HIS 18 45.241 7.473 1.914 134 HB3 HIS 18 HB1 HIS 18 43.662 7.745 2.677 135 HD1 HIS 18 HD1 HIS 18 43.394 9.930 1.207 136 HD2 HIS 18 HD2 HIS 18 46.633 10.002 3.887 137 HE1 HIS 18 HE1 HIS 18 44.156 12.359 1.416 138 H ALA 19 HN ALA 19 45.155 4.975 3.270 139 HA ALA 19 HA ALA 19 44.084 3.591 5.426 140 HB1 ALA 19 HB1 ALA 19 41.961 5.221 4.032 141 HB2 ALA 19 HB2 ALA 19 42.111 4.798 5.756 142 HB3 ALA 19 HB3 ALA 19 41.534 3.586 4.592 143 H ALA 20 HN ALA 20 45.260 3.740 2.497 144 HA ALA 20 HA ALA 20 45.502 2.220 0.759 145 HB1 ALA 20 HB1 ALA 20 44.143 0.175 2.540 146 HB2 ALA 20 HB2 ALA 20 45.829 0.691 2.786 147 HB3 ALA 20 HB3 ALA 20 45.353 -0.098 1.264 148 H VAL 21 HN VAL 21 42.760 3.524 1.704 149 HA VAL 21 HA VAL 21 41.237 2.479 -0.636 150 HB VAL 21 HB VAL 21 40.069 2.654 2.183 151 HG11 VAL 21 HG11 VAL 21 38.088 1.519 0.906 152 HG12 VAL 21 HG12 VAL 21 38.879 2.125 -0.567 153 HG13 VAL 21 HG13 VAL 21 38.328 3.265 0.684 154 HG21 VAL 21 HG21 VAL 21 39.742 0.164 1.854 155 HG22 VAL 21 HG22 VAL 21 41.447 0.652 1.953 156 HG23 VAL 21 HG23 VAL 21 40.719 0.282 0.372 157 H ASN 22 HN ASN 22 42.383 4.875 1.410 158 HA ASN 22 HA ASN 22 42.361 7.193 0.786 159 HB2 ASN 22 HB2 ASN 22 40.748 6.735 -1.159 160 HB3 ASN 22 HB1 ASN 22 39.428 6.957 0.020 161 HD21 ASN 22 HD21 ASN 22 39.265 9.095 1.120 162 HD22 ASN 22 HD22 ASN 22 39.959 10.518 0.335 163 H HIS 23 HN HIS 23 39.684 5.465 2.324 164 HA HIS 23 HA HIS 23 40.081 6.834 4.826 165 HB2 HIS 23 HB2 HIS 23 38.983 8.697 3.557 166 HB3 HIS 23 HB1 HIS 23 37.572 7.644 3.302 167 HD1 HIS 23 HD1 HIS 23 39.448 9.571 5.965 168 HD2 HIS 23 HD2 HIS 23 36.034 7.136 5.663 169 HE1 HIS 23 HE1 HIS 23 38.115 9.856 8.128 170 H TYR 24 HN TYR 24 40.136 4.526 5.266 171 HA TYR 24 HA TYR 24 37.601 3.031 4.996 172 HB2 TYR 24 HB2 TYR 24 39.826 1.938 4.702 173 HB3 TYR 24 HB1 TYR 24 40.184 2.269 6.414 174 HD1 TYR 24 HD1 TYR 24 39.043 1.060 8.203 175 HD2 TYR 24 HD2 TYR 24 38.054 0.338 4.065 176 HE1 TYR 24 HE1 TYR 24 37.787 -0.988 8.861 177 HE2 TYR 24 HE2 TYR 24 36.799 -1.710 4.722 178 HH TYR 24 HH TYR 24 36.881 -3.316 7.275 179 H LEU 25 HN LEU 25 39.037 5.191 7.223 180 HA LEU 25 HA LEU 25 38.065 4.077 9.691 181 HB2 LEU 25 HB2 LEU 25 38.367 7.041 9.093 182 HB3 LEU 25 HB1 LEU 25 38.555 6.205 10.653 183 HG LEU 25 HG LEU 25 40.368 5.924 8.213 184 HD11 LEU 25 HD11 LEU 25 42.054 6.940 9.728 185 HD12 LEU 25 HD12 LEU 25 40.811 7.103 10.992 186 HD13 LEU 25 HD13 LEU 25 40.665 8.024 9.476 187 HD21 LEU 25 HD21 LEU 25 41.770 4.588 9.946 188 HD22 LEU 25 HD22 LEU 25 40.352 3.772 9.250 189 HD23 LEU 25 HD23 LEU 25 40.264 4.467 10.887 Start of MODEL 75 1 H1 GLY 1 HT1 GLY 1 63.857 21.044 4.698 2 H2 GLY 1 HT2 GLY 1 63.471 21.094 6.353 3 H3 GLY 1 HT3 GLY 1 62.945 22.333 5.315 4 HA2 GLY 1 HA1 GLY 1 61.858 19.725 5.813 5 HA3 GLY 1 HA2 GLY 1 61.056 21.227 5.314 6 H TRP 2 HN TRP 2 59.837 20.370 3.675 7 HA TRP 2 HA TRP 2 59.390 19.478 1.577 8 HB2 TRP 2 HB2 TRP 2 62.060 20.854 1.085 9 HB3 TRP 2 HB1 TRP 2 61.059 20.168 -0.216 10 HD1 TRP 2 HD1 TRP 2 58.879 21.432 -0.891 11 HE1 TRP 2 HE1 TRP 2 57.872 23.758 -0.309 12 HE3 TRP 2 HE3 TRP 2 61.875 22.639 3.083 13 HZ2 TRP 2 HZ2 TRP 2 58.330 25.837 1.629 14 HZ3 TRP 2 HZ3 TRP 2 61.572 24.799 4.283 15 HH2 TRP 2 HH2 TRP 2 59.803 26.398 3.560 16 H GLY 3 HN GLY 3 62.754 19.131 0.746 17 HA2 GLY 3 HA1 GLY 3 64.060 17.251 0.403 18 HA3 GLY 3 HA2 GLY 3 63.152 16.458 1.707 19 H SER 4 HN SER 4 61.191 17.704 -0.798 20 HA SER 4 HA SER 4 61.359 15.467 -2.630 21 HB2 SER 4 HB2 SER 4 59.112 14.489 -2.054 22 HB3 SER 4 HB1 SER 4 60.366 14.185 -0.832 23 HG SER 4 HG SER 4 58.165 15.055 -0.185 24 H ILE 5 HN ILE 5 59.842 15.629 -4.366 25 HA ILE 5 HA ILE 5 59.033 18.401 -4.853 26 HB ILE 5 HB ILE 5 58.324 15.968 -6.548 27 HG12 ILE 5 HG12 ILE 5 60.883 17.636 -6.549 28 HG13 ILE 5 HG11 ILE 5 60.752 15.935 -6.050 29 HG21 ILE 5 HG21 ILE 5 58.956 18.828 -7.389 30 HG22 ILE 5 HG22 ILE 5 57.308 18.301 -6.972 31 HG23 ILE 5 HG23 ILE 5 58.162 17.551 -8.340 32 HD11 ILE 5 HD1 ILE 5 60.432 17.122 -8.824 33 HD12 ILE 5 HD2 ILE 5 59.768 15.517 -8.425 34 HD13 ILE 5 HD3 ILE 5 61.517 15.819 -8.293 35 H PHE 6 HN PHE 6 57.650 18.104 -2.734 36 HA PHE 6 HA PHE 6 55.530 18.027 -1.808 37 HB2 PHE 6 HB2 PHE 6 54.730 18.396 -4.723 38 HB3 PHE 6 HB1 PHE 6 53.634 18.583 -3.334 39 HD1 PHE 6 HD1 PHE 6 53.895 20.448 -1.751 40 HD2 PHE 6 HD2 PHE 6 56.521 20.015 -5.150 41 HE1 PHE 6 HE1 PHE 6 54.698 22.784 -1.427 42 HE2 PHE 6 HE2 PHE 6 57.323 22.352 -4.825 43 HZ PHE 6 HZ PHE 6 56.382 23.750 -2.989 44 H LYS 7 HN LYS 7 56.855 15.562 -3.228 45 HA LYS 7 HA LYS 7 54.640 13.847 -3.950 46 HB2 LYS 7 HB2 LYS 7 57.016 13.476 -4.645 47 HB3 LYS 7 HB1 LYS 7 57.413 13.075 -2.956 48 HG2 LYS 7 HG2 LYS 7 55.850 11.196 -2.986 49 HG3 LYS 7 HG1 LYS 7 55.302 11.636 -4.621 50 HD2 LYS 7 HD2 LYS 7 57.585 11.245 -5.497 51 HD3 LYS 7 HD1 LYS 7 58.140 10.809 -3.862 52 HE2 LYS 7 HE2 LYS 7 55.863 9.379 -5.293 53 HE3 LYS 7 HE1 LYS 7 57.556 8.833 -5.355 54 HZ1 LYS 7 HZ1 LYS 7 56.054 9.285 -2.828 55 HZ2 LYS 7 HZ2 LYS 7 57.578 8.559 -3.005 56 HZ3 LYS 7 HZ3 LYS 7 56.187 7.774 -3.585 57 H HIS 8 HN HIS 8 56.892 13.407 -1.194 58 HA HIS 8 HA HIS 8 54.854 11.938 0.296 59 HB2 HIS 8 HB2 HIS 8 57.545 13.041 1.198 60 HB3 HIS 8 HB1 HIS 8 56.558 11.840 2.064 61 HD1 HIS 8 HD1 HIS 8 59.481 11.814 0.200 62 HD2 HIS 8 HD2 HIS 8 55.888 9.661 -0.176 63 HE1 HIS 8 HE1 HIS 8 59.980 9.736 -1.201 64 H GLY 9 HN GLY 9 55.074 15.119 -0.410 65 HA2 GLY 9 HA1 GLY 9 54.534 16.210 2.277 66 HA3 GLY 9 HA2 GLY 9 54.574 17.100 0.743 67 H ARG 10 HN ARG 10 52.724 14.792 -0.296 68 HA ARG 10 HA ARG 10 50.246 15.176 1.165 69 HB2 ARG 10 HB2 ARG 10 49.085 16.454 -0.688 70 HB3 ARG 10 HB1 ARG 10 50.268 17.402 0.246 71 HG2 ARG 10 HG2 ARG 10 51.971 17.043 -1.497 72 HG3 ARG 10 HG1 ARG 10 50.830 16.039 -2.424 73 HD2 ARG 10 HD2 ARG 10 50.251 18.928 -1.654 74 HD3 ARG 10 HD1 ARG 10 51.018 18.466 -3.193 75 HE ARG 10 HE ARG 10 48.657 16.914 -2.939 76 HH11 ARG 10 HH11 ARG 10 49.770 20.135 -3.433 77 HH12 ARG 10 HH12 ARG 10 48.285 20.686 -4.134 78 HH21 ARG 10 HH21 ARG 10 46.668 17.642 -3.747 79 HH22 ARG 10 HH22 ARG 10 46.529 19.273 -4.313 80 H HIS 11 HN HIS 11 51.928 13.073 -0.084 81 HA HIS 11 HA HIS 11 49.723 11.612 -1.319 82 HB2 HIS 11 HB2 HIS 11 50.601 12.926 -3.275 83 HB3 HIS 11 HB1 HIS 11 52.183 12.151 -3.026 84 HD1 HIS 11 HD1 HIS 11 48.699 10.557 -2.805 85 HD2 HIS 11 HD2 HIS 11 52.260 10.227 -5.016 86 HE1 HIS 11 HE1 HIS 11 48.434 8.565 -4.384 87 H ALA 12 HN ALA 12 49.929 9.556 -1.444 88 HA ALA 12 HA ALA 12 50.621 7.441 -0.931 89 HB1 ALA 12 HB1 ALA 12 52.806 8.335 -1.862 90 HB2 ALA 12 HB2 ALA 12 52.910 6.997 -0.690 91 HB3 ALA 12 HB3 ALA 12 53.151 8.668 -0.174 92 H ALA 13 HN ALA 13 51.665 10.193 1.020 93 HA ALA 13 HA ALA 13 51.606 8.698 3.536 94 HB1 ALA 13 HB1 ALA 13 51.132 10.931 4.526 95 HB2 ALA 13 HB2 ALA 13 50.864 11.616 2.906 96 HB3 ALA 13 HB3 ALA 13 52.494 11.093 3.393 97 H LYS 14 HN LYS 14 50.280 9.021 0.665 98 HA LYS 14 HA LYS 14 47.314 8.727 1.613 99 HB2 LYS 14 HB2 LYS 14 48.192 10.578 -0.013 100 HB3 LYS 14 HB1 LYS 14 48.501 9.206 -1.143 101 HG2 LYS 14 HG2 LYS 14 46.236 8.992 -1.640 102 HG3 LYS 14 HG1 LYS 14 45.714 9.306 0.031 103 HD2 LYS 14 HD2 LYS 14 46.133 11.737 -0.316 104 HD3 LYS 14 HD1 LYS 14 46.610 11.401 -1.999 105 HE2 LYS 14 HE2 LYS 14 43.897 10.694 -0.799 106 HE3 LYS 14 HE1 LYS 14 44.219 12.137 -1.791 107 HZ1 LYS 14 HZ1 LYS 14 44.837 10.754 -3.622 108 HZ2 LYS 14 HZ2 LYS 14 43.325 10.223 -3.056 109 HZ3 LYS 14 HZ3 LYS 14 44.731 9.344 -2.684 110 H HIS 15 HN HIS 15 46.250 7.653 -0.537 111 HA HIS 15 HA HIS 15 45.700 5.482 -1.229 112 HB2 HIS 15 HB2 HIS 15 47.022 6.621 -3.045 113 HB3 HIS 15 HB1 HIS 15 48.467 5.767 -2.454 114 HD1 HIS 15 HD1 HIS 15 48.923 3.812 -3.927 115 HD2 HIS 15 HD2 HIS 15 44.802 4.404 -3.344 116 HE1 HIS 15 HE1 HIS 15 47.705 1.900 -5.105 117 H ILE 16 HN ILE 16 47.413 5.655 1.303 118 HA ILE 16 HA ILE 16 47.506 3.052 1.938 119 HB ILE 16 HB ILE 16 49.188 2.415 0.388 120 HG12 ILE 16 HG12 ILE 16 50.792 3.022 2.903 121 HG13 ILE 16 HG11 ILE 16 49.552 1.751 2.856 122 HG21 ILE 16 HG21 ILE 16 49.999 4.610 -0.359 123 HG22 ILE 16 HG22 ILE 16 51.393 3.727 0.287 124 HG23 ILE 16 HG23 ILE 16 50.609 4.966 1.268 125 HD11 ILE 16 HD1 ILE 16 52.217 1.869 1.414 126 HD12 ILE 16 HD2 ILE 16 50.892 0.906 0.721 127 HD13 ILE 16 HD3 ILE 16 51.503 0.540 2.349 128 H GLY 17 HN GLY 17 49.216 5.885 2.124 129 HA2 GLY 17 HA1 GLY 17 49.667 5.643 5.017 130 HA3 GLY 17 HA2 GLY 17 49.927 7.097 4.029 131 H HIS 18 HN HIS 18 47.214 6.257 2.731 132 HA HIS 18 HA HIS 18 45.535 7.837 4.666 133 HB2 HIS 18 HB2 HIS 18 45.493 7.245 1.733 134 HB3 HIS 18 HB1 HIS 18 43.892 7.260 2.497 135 HD1 HIS 18 HD1 HIS 18 46.665 9.483 3.801 136 HD2 HIS 18 HD2 HIS 18 43.268 9.798 1.341 137 HE1 HIS 18 HE1 HIS 18 46.199 11.971 3.461 138 H ALA 19 HN ALA 19 45.487 4.692 2.868 139 HA ALA 19 HA ALA 19 44.620 3.082 4.984 140 HB1 ALA 19 HB1 ALA 19 42.588 4.201 5.406 141 HB2 ALA 19 HB2 ALA 19 42.078 2.914 4.298 142 HB3 ALA 19 HB3 ALA 19 42.321 4.567 3.685 143 H ALA 20 HN ALA 20 45.731 3.489 2.067 144 HA ALA 20 HA ALA 20 46.007 2.125 0.209 145 HB1 ALA 20 HB1 ALA 20 45.984 -0.236 0.539 146 HB2 ALA 20 HB2 ALA 20 44.815 -0.114 1.875 147 HB3 ALA 20 HB3 ALA 20 46.483 0.466 2.095 148 H VAL 21 HN VAL 21 43.269 3.254 1.278 149 HA VAL 21 HA VAL 21 41.686 2.230 -1.037 150 HB VAL 21 HB VAL 21 40.668 2.319 1.844 151 HG11 VAL 21 HG11 VAL 21 39.286 1.948 -0.842 152 HG12 VAL 21 HG12 VAL 21 38.841 3.028 0.501 153 HG13 VAL 21 HG13 VAL 21 38.588 1.277 0.652 154 HG21 VAL 21 HG21 VAL 21 42.013 0.318 1.384 155 HG22 VAL 21 HG22 VAL 21 41.114 0.026 -0.124 156 HG23 VAL 21 HG23 VAL 21 40.294 -0.136 1.447 157 H ASN 22 HN ASN 22 42.862 4.634 0.998 158 HA ASN 22 HA ASN 22 42.784 6.961 0.419 159 HB2 ASN 22 HB2 ASN 22 41.167 6.464 -1.524 160 HB3 ASN 22 HB1 ASN 22 39.854 6.672 -0.333 161 HD21 ASN 22 HD21 ASN 22 39.743 8.817 0.818 162 HD22 ASN 22 HD22 ASN 22 40.380 10.245 -0.005 163 H HIS 23 HN HIS 23 40.201 5.139 1.939 164 HA HIS 23 HA HIS 23 39.431 5.302 4.139 165 HB2 HIS 23 HB2 HIS 23 41.684 6.673 4.532 166 HB3 HIS 23 HB1 HIS 23 40.597 8.077 4.543 167 HD1 HIS 23 HD1 HIS 23 40.778 4.596 6.192 168 HD2 HIS 23 HD2 HIS 23 39.601 8.537 7.066 169 HE1 HIS 23 HE1 HIS 23 39.974 4.631 8.617 170 H TYR 24 HN TYR 24 38.748 6.970 1.471 171 HA TYR 24 HA TYR 24 37.014 9.079 2.339 172 HB2 TYR 24 HB2 TYR 24 37.811 8.844 0.018 173 HB3 TYR 24 HB1 TYR 24 36.877 7.340 -0.158 174 HD1 TYR 24 HD1 TYR 24 36.659 11.028 0.263 175 HD2 TYR 24 HD2 TYR 24 34.455 7.378 -0.403 176 HE1 TYR 24 HE1 TYR 24 34.641 12.358 -0.345 177 HE2 TYR 24 HE2 TYR 24 32.437 8.708 -1.010 178 HH TYR 24 HH TYR 24 32.406 11.685 -1.949 179 H LEU 25 HN LEU 25 36.698 5.612 2.316 180 HA LEU 25 HA LEU 25 33.761 5.634 2.442 181 HB2 LEU 25 HB2 LEU 25 35.205 3.748 1.500 182 HB3 LEU 25 HB1 LEU 25 35.662 3.380 3.177 183 HG LEU 25 HG LEU 25 33.049 3.330 3.615 184 HD11 LEU 25 HD11 LEU 25 33.211 2.940 0.589 185 HD12 LEU 25 HD12 LEU 25 32.259 4.159 1.468 186 HD13 LEU 25 HD13 LEU 25 31.823 2.443 1.581 187 HD21 LEU 25 HD21 LEU 25 34.459 1.151 2.010 188 HD22 LEU 25 HD22 LEU 25 32.992 0.924 2.994 189 HD23 LEU 25 HD23 LEU 25 34.531 1.361 3.776 Start of MODEL 76 1 H1 GLY 1 HT1 GLY 1 61.034 2.459 0.105 2 H2 GLY 1 HT2 GLY 1 60.133 3.225 1.325 3 H3 GLY 1 HT3 GLY 1 61.532 2.344 1.721 4 HA2 GLY 1 HA1 GLY 1 62.175 4.535 1.834 5 HA3 GLY 1 HA2 GLY 1 62.792 3.915 0.291 6 H TRP 2 HN TRP 2 61.510 6.555 1.627 7 HA TRP 2 HA TRP 2 59.398 7.210 -0.260 8 HB2 TRP 2 HB2 TRP 2 59.700 9.528 0.645 9 HB3 TRP 2 HB1 TRP 2 59.473 8.300 1.912 10 HD1 TRP 2 HD1 TRP 2 62.032 10.705 0.471 11 HE1 TRP 2 HE1 TRP 2 64.130 10.795 2.005 12 HE3 TRP 2 HE3 TRP 2 60.899 6.831 3.621 13 HZ2 TRP 2 HZ2 TRP 2 65.150 9.362 4.285 14 HZ3 TRP 2 HZ3 TRP 2 62.448 6.209 5.468 15 HH2 TRP 2 HH2 TRP 2 64.570 7.470 5.804 16 H GLY 3 HN GLY 3 59.965 9.742 -1.151 17 HA2 GLY 3 HA1 GLY 3 62.526 9.750 -2.587 18 HA3 GLY 3 HA2 GLY 3 61.117 9.422 -3.616 19 H SER 4 HN SER 4 60.513 11.368 -0.845 20 HA SER 4 HA SER 4 61.254 13.934 -1.877 21 HB2 SER 4 HB2 SER 4 59.682 13.709 -3.638 22 HB3 SER 4 HB1 SER 4 58.480 12.937 -2.582 23 HG SER 4 HG SER 4 59.298 15.640 -2.723 24 H ILE 5 HN ILE 5 61.008 15.467 -0.336 25 HA ILE 5 HA ILE 5 60.286 14.645 2.307 26 HB ILE 5 HB ILE 5 60.338 17.512 1.275 27 HG12 ILE 5 HG12 ILE 5 62.427 16.064 0.702 28 HG13 ILE 5 HG11 ILE 5 62.693 17.598 1.547 29 HG21 ILE 5 HG21 ILE 5 59.450 17.394 3.496 30 HG22 ILE 5 HG22 ILE 5 61.142 17.919 3.660 31 HG23 ILE 5 HG23 ILE 5 60.695 16.233 4.012 32 HD11 ILE 5 HD1 ILE 5 64.007 15.611 2.453 33 HD12 ILE 5 HD2 ILE 5 62.465 14.927 3.005 34 HD13 ILE 5 HD3 ILE 5 63.032 16.479 3.657 35 H PHE 6 HN PHE 6 58.502 16.358 -0.247 36 HA PHE 6 HA PHE 6 56.213 16.918 1.479 37 HB2 PHE 6 HB2 PHE 6 56.566 16.963 -1.544 38 HB3 PHE 6 HB1 PHE 6 55.098 17.503 -0.692 39 HD1 PHE 6 HD1 PHE 6 58.589 18.298 -1.528 40 HD2 PHE 6 HD2 PHE 6 55.188 19.451 0.868 41 HE1 PHE 6 HE1 PHE 6 59.640 20.517 -1.101 42 HE2 PHE 6 HE2 PHE 6 56.240 21.670 1.292 43 HZ PHE 6 HZ PHE 6 58.488 22.183 0.350 44 H LYS 7 HN LYS 7 57.394 14.044 0.608 45 HA LYS 7 HA LYS 7 56.468 11.929 0.389 46 HB2 LYS 7 HB2 LYS 7 53.807 13.122 1.232 47 HB3 LYS 7 HB1 LYS 7 54.422 11.476 1.512 48 HG2 LYS 7 HG2 LYS 7 55.448 14.060 2.771 49 HG3 LYS 7 HG1 LYS 7 54.599 12.729 3.590 50 HD2 LYS 7 HD2 LYS 7 56.539 11.217 2.800 51 HD3 LYS 7 HD1 LYS 7 57.401 12.724 2.402 52 HE2 LYS 7 HE2 LYS 7 57.002 13.493 4.777 53 HE3 LYS 7 HE1 LYS 7 56.351 11.875 5.134 54 HZ1 LYS 7 HZ1 LYS 7 58.923 12.520 5.386 55 HZ2 LYS 7 HZ2 LYS 7 58.931 11.946 3.786 56 HZ3 LYS 7 HZ3 LYS 7 58.386 10.948 5.048 57 H HIS 8 HN HIS 8 56.829 12.474 -1.962 58 HA HIS 8 HA HIS 8 56.083 12.499 -4.163 59 HB2 HIS 8 HB2 HIS 8 53.927 10.812 -2.837 60 HB3 HIS 8 HB1 HIS 8 54.122 10.972 -4.600 61 HD1 HIS 8 HD1 HIS 8 55.449 9.201 -1.616 62 HD2 HIS 8 HD2 HIS 8 56.754 10.001 -5.533 63 HE1 HIS 8 HE1 HIS 8 57.368 7.592 -2.123 64 H GLY 9 HN GLY 9 55.245 14.746 -2.492 65 HA2 GLY 9 HA1 GLY 9 53.914 16.616 -2.775 66 HA3 GLY 9 HA2 GLY 9 53.385 15.933 -4.325 67 H ARG 10 HN ARG 10 52.990 15.151 -0.838 68 HA ARG 10 HA ARG 10 51.095 14.543 0.346 69 HB2 ARG 10 HB2 ARG 10 49.961 16.568 -1.617 70 HB3 ARG 10 HB1 ARG 10 48.957 15.808 -0.360 71 HG2 ARG 10 HG2 ARG 10 49.839 17.954 0.454 72 HG3 ARG 10 HG1 ARG 10 50.552 16.615 1.379 73 HD2 ARG 10 HD2 ARG 10 52.650 16.824 0.304 74 HD3 ARG 10 HD1 ARG 10 51.965 17.726 -1.070 75 HE ARG 10 HE ARG 10 52.839 18.872 1.456 76 HH11 ARG 10 HH11 ARG 10 50.102 19.792 1.588 77 HH12 ARG 10 HH12 ARG 10 50.075 21.188 0.564 78 HH21 ARG 10 HH21 ARG 10 53.033 20.383 -1.057 79 HH22 ARG 10 HH22 ARG 10 51.735 21.523 -0.934 80 H HIS 11 HN HIS 11 51.869 12.630 -1.409 81 HA HIS 11 HA HIS 11 49.288 11.337 -1.984 82 HB2 HIS 11 HB2 HIS 11 49.855 12.566 -4.116 83 HB3 HIS 11 HB1 HIS 11 51.388 11.672 -4.174 84 HD1 HIS 11 HD1 HIS 11 50.151 8.878 -3.189 85 HD2 HIS 11 HD2 HIS 11 48.626 11.287 -6.280 86 HE1 HIS 11 HE1 HIS 11 48.838 7.357 -4.765 87 H ALA 12 HN ALA 12 50.138 10.518 -0.122 88 HA ALA 12 HA ALA 12 50.947 7.852 -0.367 89 HB1 ALA 12 HB1 ALA 12 52.908 9.921 0.349 90 HB2 ALA 12 HB2 ALA 12 53.110 8.790 -1.008 91 HB3 ALA 12 HB3 ALA 12 53.231 8.215 0.669 92 H ALA 13 HN ALA 13 51.022 10.986 1.111 93 HA ALA 13 HA ALA 13 50.637 10.039 3.871 94 HB1 ALA 13 HB1 ALA 13 51.023 12.428 3.729 95 HB2 ALA 13 HB2 ALA 13 49.257 12.289 3.906 96 HB3 ALA 13 HB3 ALA 13 49.972 12.585 2.302 97 H LYS 14 HN LYS 14 49.956 9.607 0.759 98 HA LYS 14 HA LYS 14 46.989 8.765 1.181 99 HB2 LYS 14 HB2 LYS 14 47.797 10.510 -0.563 100 HB3 LYS 14 HB1 LYS 14 48.686 9.124 -1.325 101 HG2 LYS 14 HG2 LYS 14 46.704 8.322 -2.275 102 HG3 LYS 14 HG1 LYS 14 45.770 8.553 -0.786 103 HD2 LYS 14 HD2 LYS 14 44.772 9.959 -2.447 104 HD3 LYS 14 HD1 LYS 14 45.644 11.031 -1.336 105 HE2 LYS 14 HE2 LYS 14 47.189 11.649 -2.958 106 HE3 LYS 14 HE1 LYS 14 47.172 10.054 -3.744 107 HZ1 LYS 14 HZ1 LYS 14 44.623 11.210 -3.973 108 HZ2 LYS 14 HZ2 LYS 14 45.729 10.827 -5.204 109 HZ3 LYS 14 HZ3 LYS 14 45.769 12.359 -4.469 110 H HIS 15 HN HIS 15 46.745 7.140 -0.957 111 HA HIS 15 HA HIS 15 46.819 4.825 -1.272 112 HB2 HIS 15 HB2 HIS 15 48.315 5.935 -2.952 113 HB3 HIS 15 HB1 HIS 15 49.697 5.575 -1.890 114 HD1 HIS 15 HD1 HIS 15 50.862 3.449 -2.455 115 HD2 HIS 15 HD2 HIS 15 46.757 3.269 -3.350 116 HE1 HIS 15 HE1 HIS 15 50.411 1.164 -3.506 117 H ILE 16 HN ILE 16 47.701 5.765 1.487 118 HA ILE 16 HA ILE 16 48.129 3.401 2.659 119 HB ILE 16 HB ILE 16 50.251 2.952 1.663 120 HG12 ILE 16 HG12 ILE 16 51.841 2.990 3.532 121 HG13 ILE 16 HG11 ILE 16 50.828 4.160 4.402 122 HG21 ILE 16 HG21 ILE 16 50.810 5.173 0.747 123 HG22 ILE 16 HG22 ILE 16 52.131 4.651 1.816 124 HG23 ILE 16 HG23 ILE 16 50.946 5.823 2.395 125 HD11 ILE 16 HD1 ILE 16 49.055 2.556 4.669 126 HD12 ILE 16 HD2 ILE 16 50.556 1.694 5.071 127 HD13 ILE 16 HD3 ILE 16 49.787 1.448 3.487 128 H GLY 17 HN GLY 17 49.230 6.527 2.639 129 HA2 GLY 17 HA1 GLY 17 48.938 6.862 5.530 130 HA3 GLY 17 HA2 GLY 17 49.172 8.159 4.342 131 H HIS 18 HN HIS 18 47.029 6.526 2.713 132 HA HIS 18 HA HIS 18 44.685 7.968 3.964 133 HB2 HIS 18 HB2 HIS 18 45.409 7.026 1.204 134 HB3 HIS 18 HB1 HIS 18 43.693 6.892 1.635 135 HD1 HIS 18 HD1 HIS 18 45.687 9.673 3.191 136 HD2 HIS 18 HD2 HIS 18 43.065 9.126 -0.053 137 HE1 HIS 18 HE1 HIS 18 45.036 11.992 2.339 138 H ALA 19 HN ALA 19 45.696 4.691 2.789 139 HA ALA 19 HA ALA 19 44.547 3.238 4.889 140 HB1 ALA 19 HB1 ALA 19 42.502 4.018 2.803 141 HB2 ALA 19 HB2 ALA 19 42.314 3.877 4.570 142 HB3 ALA 19 HB3 ALA 19 42.389 2.415 3.567 143 H ALA 20 HN ALA 20 46.319 3.481 2.263 144 HA ALA 20 HA ALA 20 47.387 1.948 0.887 145 HB1 ALA 20 HB1 ALA 20 47.748 -0.247 1.702 146 HB2 ALA 20 HB2 ALA 20 46.203 -0.269 2.584 147 HB3 ALA 20 HB3 ALA 20 47.543 0.748 3.162 148 H VAL 21 HN VAL 21 44.250 2.474 1.033 149 HA VAL 21 HA VAL 21 43.677 0.887 -1.420 150 HB VAL 21 HB VAL 21 41.810 0.899 0.999 151 HG11 VAL 21 HG11 VAL 21 40.487 0.761 -0.984 152 HG12 VAL 21 HG12 VAL 21 40.679 -0.925 -0.467 153 HG13 VAL 21 HG13 VAL 21 41.665 -0.289 -1.803 154 HG21 VAL 21 HG21 VAL 21 43.705 -0.545 1.486 155 HG22 VAL 21 HG22 VAL 21 43.634 -1.269 -0.138 156 HG23 VAL 21 HG23 VAL 21 42.337 -1.585 1.039 157 H ASN 22 HN ASN 22 43.599 3.628 0.510 158 HA ASN 22 HA ASN 22 43.091 5.796 -0.363 159 HB2 ASN 22 HB2 ASN 22 42.239 4.767 -2.566 160 HB3 ASN 22 HB1 ASN 22 40.643 4.678 -1.776 161 HD21 ASN 22 HD21 ASN 22 40.009 6.273 -3.555 162 HD22 ASN 22 HD22 ASN 22 40.335 7.984 -3.261 163 H HIS 23 HN HIS 23 40.684 3.430 0.685 164 HA HIS 23 HA HIS 23 40.013 4.878 3.053 165 HB2 HIS 23 HB2 HIS 23 37.633 5.498 2.420 166 HB3 HIS 23 HB1 HIS 23 38.887 6.516 1.680 167 HD1 HIS 23 HD1 HIS 23 39.381 6.201 -0.874 168 HD2 HIS 23 HD2 HIS 23 36.166 3.923 0.595 169 HE1 HIS 23 HE1 HIS 23 38.119 5.272 -2.893 170 H TYR 24 HN TYR 24 40.627 2.417 3.126 171 HA TYR 24 HA TYR 24 38.834 0.397 2.356 172 HB2 TYR 24 HB2 TYR 24 41.064 0.013 3.393 173 HB3 TYR 24 HB1 TYR 24 40.401 0.533 4.962 174 HD1 TYR 24 HD1 TYR 24 40.210 -2.055 2.287 175 HD2 TYR 24 HD2 TYR 24 38.924 -0.901 6.244 176 HE1 TYR 24 HE1 TYR 24 39.321 -4.352 2.669 177 HE2 TYR 24 HE2 TYR 24 38.037 -3.198 6.624 178 HH TYR 24 HH TYR 24 37.899 -5.547 3.962 179 H LEU 25 HN LEU 25 38.647 2.671 5.064 180 HA LEU 25 HA LEU 25 36.655 1.414 6.610 181 HB2 LEU 25 HB2 LEU 25 37.981 3.690 6.905 182 HB3 LEU 25 HB1 LEU 25 36.559 4.407 6.117 183 HG LEU 25 HG LEU 25 36.574 2.716 8.663 184 HD11 LEU 25 HD11 LEU 25 35.926 5.652 8.134 185 HD12 LEU 25 HD12 LEU 25 37.377 5.033 8.958 186 HD13 LEU 25 HD13 LEU 25 35.774 4.828 9.704 187 HD21 LEU 25 HD21 LEU 25 34.093 3.490 8.686 188 HD22 LEU 25 HD22 LEU 25 34.525 2.181 7.564 189 HD23 LEU 25 HD23 LEU 25 34.317 3.842 6.955 Start of MODEL 77 1 H1 GLY 1 HT1 GLY 1 56.595 16.961 7.818 2 H2 GLY 1 HT2 GLY 1 56.008 16.925 6.223 3 H3 GLY 1 HT3 GLY 1 55.723 18.279 7.209 4 HA2 GLY 1 HA1 GLY 1 57.411 18.827 5.696 5 HA3 GLY 1 HA2 GLY 1 58.104 18.676 7.323 6 H TRP 2 HN TRP 2 59.272 16.756 7.886 7 HA TRP 2 HA TRP 2 60.935 15.211 7.410 8 HB2 TRP 2 HB2 TRP 2 58.854 13.936 6.728 9 HB3 TRP 2 HB1 TRP 2 59.171 14.443 5.052 10 HD1 TRP 2 HD1 TRP 2 60.795 13.003 3.709 11 HE1 TRP 2 HE1 TRP 2 62.456 11.067 4.216 12 HE3 TRP 2 HE3 TRP 2 60.539 13.040 8.821 13 HZ2 TRP 2 HZ2 TRP 2 63.510 9.738 6.544 14 HZ3 TRP 2 HZ3 TRP 2 61.880 11.429 10.165 15 HH2 TRP 2 HH2 TRP 2 63.365 9.779 9.032 16 H GLY 3 HN GLY 3 60.551 17.885 5.719 17 HA2 GLY 3 HA1 GLY 3 61.943 19.010 4.250 18 HA3 GLY 3 HA2 GLY 3 63.092 17.664 4.385 19 H SER 4 HN SER 4 60.074 16.473 3.525 20 HA SER 4 HA SER 4 60.921 15.574 0.970 21 HB2 SER 4 HB2 SER 4 58.704 14.785 0.681 22 HB3 SER 4 HB1 SER 4 58.960 14.760 2.439 23 HG SER 4 HG SER 4 57.055 15.983 1.152 24 H ILE 5 HN ILE 5 58.749 16.168 -0.739 25 HA ILE 5 HA ILE 5 58.700 19.098 -1.119 26 HB ILE 5 HB ILE 5 59.567 18.803 -3.540 27 HG12 ILE 5 HG12 ILE 5 60.734 16.273 -2.282 28 HG13 ILE 5 HG11 ILE 5 59.440 16.297 -3.501 29 HG21 ILE 5 HG21 ILE 5 61.853 19.186 -2.885 30 HG22 ILE 5 HG22 ILE 5 61.644 18.276 -1.371 31 HG23 ILE 5 HG23 ILE 5 60.848 19.854 -1.581 32 HD11 ILE 5 HD1 ILE 5 61.398 15.942 -4.784 33 HD12 ILE 5 HD2 ILE 5 62.355 17.084 -3.814 34 HD13 ILE 5 HD3 ILE 5 61.120 17.692 -4.945 35 H PHE 6 HN PHE 6 56.511 17.970 -0.536 36 HA PHE 6 HA PHE 6 54.339 17.728 -1.302 37 HB2 PHE 6 HB2 PHE 6 55.223 17.822 -4.199 38 HB3 PHE 6 HB1 PHE 6 53.714 18.403 -3.459 39 HD1 PHE 6 HD1 PHE 6 54.339 20.097 -1.307 40 HD2 PHE 6 HD2 PHE 6 56.585 19.597 -4.963 41 HE1 PHE 6 HE1 PHE 6 55.320 22.367 -1.017 42 HE2 PHE 6 HE2 PHE 6 57.563 21.868 -4.670 43 HZ PHE 6 HZ PHE 6 56.916 23.261 -2.709 44 H LYS 7 HN LYS 7 56.917 15.877 -2.861 45 HA LYS 7 HA LYS 7 55.354 13.766 -3.939 46 HB2 LYS 7 HB2 LYS 7 58.144 13.780 -2.725 47 HB3 LYS 7 HB1 LYS 7 57.443 12.379 -3.571 48 HG2 LYS 7 HG2 LYS 7 57.172 13.686 -5.616 49 HG3 LYS 7 HG1 LYS 7 57.715 15.163 -4.785 50 HD2 LYS 7 HD2 LYS 7 59.925 14.123 -4.372 51 HD3 LYS 7 HD1 LYS 7 59.386 12.645 -5.204 52 HE2 LYS 7 HE2 LYS 7 59.138 13.825 -7.301 53 HE3 LYS 7 HE1 LYS 7 59.401 15.396 -6.510 54 HZ1 LYS 7 HZ1 LYS 7 61.327 13.346 -7.270 55 HZ2 LYS 7 HZ2 LYS 7 61.607 14.109 -5.779 56 HZ3 LYS 7 HZ3 LYS 7 61.502 15.032 -7.201 57 H HIS 8 HN HIS 8 57.371 13.274 -1.037 58 HA HIS 8 HA HIS 8 55.474 11.285 -0.025 59 HB2 HIS 8 HB2 HIS 8 57.963 12.514 1.230 60 HB3 HIS 8 HB1 HIS 8 57.073 11.107 1.859 61 HD1 HIS 8 HD1 HIS 8 57.408 11.499 -1.864 62 HD2 HIS 8 HD2 HIS 8 59.294 9.385 1.246 63 HE1 HIS 8 HE1 HIS 8 58.924 9.748 -2.943 64 H GLY 9 HN GLY 9 53.756 13.142 -0.135 65 HA2 GLY 9 HA1 GLY 9 53.200 13.845 2.634 66 HA3 GLY 9 HA2 GLY 9 53.624 15.261 1.652 67 H ARG 10 HN ARG 10 52.510 14.437 -0.810 68 HA ARG 10 HA ARG 10 49.587 14.702 -0.149 69 HB2 ARG 10 HB2 ARG 10 51.231 15.415 -2.609 70 HB3 ARG 10 HB1 ARG 10 49.453 15.456 -2.572 71 HG2 ARG 10 HG2 ARG 10 49.493 17.076 -0.728 72 HG3 ARG 10 HG1 ARG 10 51.270 16.994 -0.667 73 HD2 ARG 10 HD2 ARG 10 50.387 18.986 -1.945 74 HD3 ARG 10 HD1 ARG 10 51.454 17.932 -2.901 75 HE ARG 10 HE ARG 10 49.604 17.433 -4.280 76 HH11 ARG 10 HH11 ARG 10 48.604 18.627 -1.205 77 HH12 ARG 10 HH12 ARG 10 46.939 18.773 -1.655 78 HH21 ARG 10 HH21 ARG 10 47.441 17.663 -4.900 79 HH22 ARG 10 HH22 ARG 10 46.280 18.227 -3.746 80 H HIS 11 HN HIS 11 51.841 12.411 -0.901 81 HA HIS 11 HA HIS 11 49.743 10.567 -1.895 82 HB2 HIS 11 HB2 HIS 11 52.338 11.096 -3.404 83 HB3 HIS 11 HB1 HIS 11 51.256 9.715 -3.706 84 HD1 HIS 11 HD1 HIS 11 48.988 10.160 -4.871 85 HD2 HIS 11 HD2 HIS 11 51.336 13.605 -4.313 86 HE1 HIS 11 HE1 HIS 11 47.918 12.040 -6.231 87 H ALA 12 HN ALA 12 50.003 8.566 -1.482 88 HA ALA 12 HA ALA 12 50.711 6.659 -0.433 89 HB1 ALA 12 HB1 ALA 12 52.956 7.434 -1.340 90 HB2 ALA 12 HB2 ALA 12 52.972 6.402 0.113 91 HB3 ALA 12 HB3 ALA 12 53.112 8.155 0.251 92 H ALA 13 HN ALA 13 51.452 9.853 0.882 93 HA ALA 13 HA ALA 13 51.177 8.991 3.670 94 HB1 ALA 13 HB1 ALA 13 50.539 11.359 4.050 95 HB2 ALA 13 HB2 ALA 13 50.393 11.630 2.297 96 HB3 ALA 13 HB3 ALA 13 51.991 11.336 3.023 97 H LYS 14 HN LYS 14 50.156 8.542 0.693 98 HA LYS 14 HA LYS 14 47.116 8.310 1.395 99 HB2 LYS 14 HB2 LYS 14 48.099 9.773 -0.541 100 HB3 LYS 14 HB1 LYS 14 48.567 8.194 -1.273 101 HG2 LYS 14 HG2 LYS 14 46.376 7.742 -1.914 102 HG3 LYS 14 HG1 LYS 14 45.672 8.403 -0.421 103 HD2 LYS 14 HD2 LYS 14 45.924 10.686 -1.270 104 HD3 LYS 14 HD1 LYS 14 46.766 10.086 -2.720 105 HE2 LYS 14 HE2 LYS 14 44.438 10.503 -3.304 106 HE3 LYS 14 HE1 LYS 14 44.705 8.744 -3.282 107 HZ1 LYS 14 HZ1 LYS 14 43.689 8.576 -1.170 108 HZ2 LYS 14 HZ2 LYS 14 42.658 9.549 -2.107 109 HZ3 LYS 14 HZ3 LYS 14 43.672 10.257 -0.942 110 H HIS 15 HN HIS 15 46.322 6.696 -0.526 111 HA HIS 15 HA HIS 15 45.928 4.395 -0.731 112 HB2 HIS 15 HB2 HIS 15 48.785 4.688 -1.732 113 HB3 HIS 15 HB1 HIS 15 47.666 3.366 -2.148 114 HD1 HIS 15 HD1 HIS 15 45.116 4.546 -2.922 115 HD2 HIS 15 HD2 HIS 15 48.698 6.607 -3.700 116 HE1 HIS 15 HE1 HIS 15 44.648 6.196 -4.815 117 H ILE 16 HN ILE 16 47.354 5.266 1.846 118 HA ILE 16 HA ILE 16 47.459 2.894 3.098 119 HB ILE 16 HB ILE 16 49.320 2.022 1.896 120 HG12 ILE 16 HG12 ILE 16 51.135 1.865 3.545 121 HG13 ILE 16 HG11 ILE 16 50.458 3.231 4.455 122 HG21 ILE 16 HG21 ILE 16 50.548 4.778 2.290 123 HG22 ILE 16 HG22 ILE 16 50.143 4.012 0.744 124 HG23 ILE 16 HG23 ILE 16 51.483 3.387 1.730 125 HD11 ILE 16 HD1 ILE 16 48.485 1.979 5.034 126 HD12 ILE 16 HD2 ILE 16 49.860 0.889 5.320 127 HD13 ILE 16 HD3 ILE 16 48.866 0.703 3.855 128 H GLY 17 HN GLY 17 49.067 5.771 2.758 129 HA2 GLY 17 HA1 GLY 17 49.185 6.270 5.646 130 HA3 GLY 17 HA2 GLY 17 49.514 7.450 4.361 131 H HIS 18 HN HIS 18 46.965 6.171 3.055 132 HA HIS 18 HA HIS 18 45.062 8.099 4.368 133 HB2 HIS 18 HB2 HIS 18 45.338 6.808 1.685 134 HB3 HIS 18 HB1 HIS 18 43.666 6.908 2.271 135 HD1 HIS 18 HD1 HIS 18 46.227 9.546 3.200 136 HD2 HIS 18 HD2 HIS 18 42.912 9.086 0.662 137 HE1 HIS 18 HE1 HIS 18 45.694 11.844 2.219 138 H ALA 19 HN ALA 19 45.337 4.608 3.473 139 HA ALA 19 HA ALA 19 44.273 3.547 5.822 140 HB1 ALA 19 HB1 ALA 19 42.107 4.574 3.986 141 HB2 ALA 19 HB2 ALA 19 42.162 4.557 5.766 142 HB3 ALA 19 HB3 ALA 19 41.823 3.059 4.876 143 H ALA 20 HN ALA 20 45.639 3.297 2.972 144 HA ALA 20 HA ALA 20 46.229 1.516 1.611 145 HB1 ALA 20 HB1 ALA 20 44.919 -0.348 3.614 146 HB2 ALA 20 HB2 ALA 20 46.479 0.441 3.941 147 HB3 ALA 20 HB3 ALA 20 46.311 -0.656 2.550 148 H VAL 21 HN VAL 21 43.289 2.633 2.080 149 HA VAL 21 HA VAL 21 42.115 0.991 -0.121 150 HB VAL 21 HB VAL 21 40.620 1.624 2.467 151 HG11 VAL 21 HG11 VAL 21 38.962 -0.043 1.349 152 HG12 VAL 21 HG12 VAL 21 39.866 0.266 -0.152 153 HG13 VAL 21 HG13 VAL 21 39.040 1.602 0.683 154 HG21 VAL 21 HG21 VAL 21 42.251 -0.152 2.871 155 HG22 VAL 21 HG22 VAL 21 41.764 -0.992 1.381 156 HG23 VAL 21 HG23 VAL 21 40.639 -0.887 2.755 157 H ASN 22 HN ASN 22 42.824 3.865 1.459 158 HA ASN 22 HA ASN 22 42.646 5.993 0.346 159 HB2 ASN 22 HB2 ASN 22 41.253 4.986 -1.557 160 HB3 ASN 22 HB1 ASN 22 39.824 5.268 -0.527 161 HD21 ASN 22 HD21 ASN 22 41.598 6.664 -3.005 162 HD22 ASN 22 HD22 ASN 22 41.227 8.359 -2.677 163 H HIS 23 HN HIS 23 40.051 4.314 2.050 164 HA HIS 23 HA HIS 23 40.095 6.202 4.219 165 HB2 HIS 23 HB2 HIS 23 37.654 6.993 3.830 166 HB3 HIS 23 HB1 HIS 23 38.937 7.775 2.878 167 HD1 HIS 23 HD1 HIS 23 38.459 4.384 1.655 168 HD2 HIS 23 HD2 HIS 23 36.476 8.048 1.085 169 HE1 HIS 23 HE1 HIS 23 37.098 4.186 -0.498 170 H TYR 24 HN TYR 24 36.943 5.117 3.216 171 HA TYR 24 HA TYR 24 35.541 3.518 4.140 172 HB2 TYR 24 HB2 TYR 24 37.146 2.044 2.878 173 HB3 TYR 24 HB1 TYR 24 38.074 1.849 4.384 174 HD1 TYR 24 HD1 TYR 24 37.375 0.280 6.049 175 HD2 TYR 24 HD2 TYR 24 34.672 1.382 2.869 176 HE1 TYR 24 HE1 TYR 24 35.797 -1.507 6.771 177 HE2 TYR 24 HE2 TYR 24 33.094 -0.404 3.591 178 HH TYR 24 HH TYR 24 32.623 -1.897 5.374 179 H LEU 25 HN LEU 25 37.547 5.275 5.874 180 HA LEU 25 HA LEU 25 37.707 5.716 8.139 181 HB2 LEU 25 HB2 LEU 25 35.174 4.961 7.911 182 HB3 LEU 25 HB1 LEU 25 35.722 3.518 8.790 183 HG LEU 25 HG LEU 25 35.978 6.419 9.706 184 HD11 LEU 25 HD11 LEU 25 34.453 5.670 11.512 185 HD12 LEU 25 HD12 LEU 25 34.387 4.048 10.782 186 HD13 LEU 25 HD13 LEU 25 33.711 5.445 9.911 187 HD21 LEU 25 HD21 LEU 25 37.934 5.322 10.528 188 HD22 LEU 25 HD22 LEU 25 37.054 3.806 10.844 189 HD23 LEU 25 HD23 LEU 25 36.775 5.232 11.873 Start of MODEL 78 1 H1 GLY 1 HT1 GLY 1 69.710 17.984 0.467 2 H2 GLY 1 HT2 GLY 1 68.520 18.928 -0.295 3 H3 GLY 1 HT3 GLY 1 68.987 17.437 -0.963 4 HA2 GLY 1 HA1 GLY 1 68.211 16.373 1.120 5 HA3 GLY 1 HA2 GLY 1 67.485 17.945 1.510 6 H TRP 2 HN TRP 2 65.404 18.075 1.057 7 HA TRP 2 HA TRP 2 63.354 17.587 0.075 8 HB2 TRP 2 HB2 TRP 2 65.159 17.659 -2.374 9 HB3 TRP 2 HB1 TRP 2 63.382 17.594 -2.456 10 HD1 TRP 2 HD1 TRP 2 66.191 19.815 -0.987 11 HE1 TRP 2 HE1 TRP 2 65.354 22.274 -0.868 12 HE3 TRP 2 HE3 TRP 2 61.364 19.098 -2.535 13 HZ2 TRP 2 HZ2 TRP 2 62.907 23.704 -1.384 14 HZ3 TRP 2 HZ3 TRP 2 59.796 21.024 -2.714 15 HH2 TRP 2 HH2 TRP 2 60.562 23.324 -2.141 16 H GLY 3 HN GLY 3 64.938 15.833 -2.519 17 HA2 GLY 3 HA1 GLY 3 64.874 13.598 -3.104 18 HA3 GLY 3 HA2 GLY 3 64.847 13.221 -1.370 19 H SER 4 HN SER 4 62.374 15.257 -2.766 20 HA SER 4 HA SER 4 60.511 13.126 -3.387 21 HB2 SER 4 HB2 SER 4 60.263 14.507 -0.691 22 HB3 SER 4 HB1 SER 4 58.924 13.647 -1.482 23 HG SER 4 HG SER 4 59.850 12.069 -0.354 24 H ILE 5 HN ILE 5 60.056 14.288 -5.222 25 HA ILE 5 HA ILE 5 59.420 17.130 -5.105 26 HB ILE 5 HB ILE 5 58.548 16.634 -7.520 27 HG12 ILE 5 HG12 ILE 5 60.051 14.024 -7.009 28 HG13 ILE 5 HG11 ILE 5 58.280 14.136 -6.975 29 HG21 ILE 5 HG21 ILE 5 60.835 16.566 -8.395 30 HG22 ILE 5 HG22 ILE 5 61.444 15.935 -6.847 31 HG23 ILE 5 HG23 ILE 5 60.801 17.591 -6.943 32 HD11 ILE 5 HD1 ILE 5 60.160 14.523 -9.325 33 HD12 ILE 5 HD2 ILE 5 58.518 15.209 -9.354 34 HD13 ILE 5 HD3 ILE 5 58.747 13.455 -9.192 35 H PHE 6 HN PHE 6 57.829 17.082 -3.404 36 HA PHE 6 HA PHE 6 55.638 17.220 -2.682 37 HB2 PHE 6 HB2 PHE 6 54.811 16.961 -5.592 38 HB3 PHE 6 HB1 PHE 6 53.944 17.777 -4.269 39 HD1 PHE 6 HD1 PHE 6 54.910 19.860 -3.233 40 HD2 PHE 6 HD2 PHE 6 56.584 18.076 -6.790 41 HE1 PHE 6 HE1 PHE 6 56.125 21.979 -3.725 42 HE2 PHE 6 HE2 PHE 6 57.798 20.196 -7.282 43 HZ PHE 6 HZ PHE 6 57.620 22.124 -5.714 44 H LYS 7 HN LYS 7 56.959 14.493 -3.835 45 HA LYS 7 HA LYS 7 54.596 12.822 -4.169 46 HB2 LYS 7 HB2 LYS 7 57.542 12.252 -3.701 47 HB3 LYS 7 HB1 LYS 7 56.338 10.948 -3.815 48 HG2 LYS 7 HG2 LYS 7 56.415 13.072 -5.987 49 HG3 LYS 7 HG1 LYS 7 57.640 11.785 -5.997 50 HD2 LYS 7 HD2 LYS 7 55.818 10.075 -5.953 51 HD3 LYS 7 HD1 LYS 7 54.612 11.382 -6.021 52 HE2 LYS 7 HE2 LYS 7 55.468 12.130 -8.180 53 HE3 LYS 7 HE1 LYS 7 56.797 10.949 -8.100 54 HZ1 LYS 7 HZ1 LYS 7 54.214 10.566 -9.093 55 HZ2 LYS 7 HZ2 LYS 7 54.350 9.617 -7.690 56 HZ3 LYS 7 HZ3 LYS 7 55.462 9.424 -8.959 57 H HIS 8 HN HIS 8 57.117 12.913 -1.600 58 HA HIS 8 HA HIS 8 55.388 11.443 0.243 59 HB2 HIS 8 HB2 HIS 8 57.882 11.277 0.253 60 HB3 HIS 8 HB1 HIS 8 57.962 12.971 0.793 61 HD1 HIS 8 HD1 HIS 8 56.960 9.496 1.922 62 HD2 HIS 8 HD2 HIS 8 57.313 13.370 3.515 63 HE1 HIS 8 HE1 HIS 8 56.658 9.310 4.452 64 H GLY 9 HN GLY 9 53.639 13.202 -0.246 65 HA2 GLY 9 HA1 GLY 9 53.305 14.699 2.176 66 HA3 GLY 9 HA2 GLY 9 53.823 15.790 0.877 67 H ARG 10 HN ARG 10 52.498 14.152 -1.208 68 HA ARG 10 HA ARG 10 49.609 14.721 -0.541 69 HB2 ARG 10 HB2 ARG 10 51.086 15.379 -3.123 70 HB3 ARG 10 HB1 ARG 10 49.335 15.554 -2.859 71 HG2 ARG 10 HG2 ARG 10 49.729 17.175 -1.062 72 HG3 ARG 10 HG1 ARG 10 51.489 16.953 -1.215 73 HD2 ARG 10 HD2 ARG 10 51.482 17.880 -3.454 74 HD3 ARG 10 HD1 ARG 10 49.704 17.908 -3.491 75 HE ARG 10 HE ARG 10 49.789 19.930 -2.276 76 HH11 ARG 10 HH11 ARG 10 51.304 18.844 0.071 77 HH12 ARG 10 HH12 ARG 10 52.753 19.792 0.036 78 HH21 ARG 10 HH21 ARG 10 52.283 20.876 -3.223 79 HH22 ARG 10 HH22 ARG 10 53.307 20.942 -1.829 80 H HIS 11 HN HIS 11 51.782 12.390 -1.116 81 HA HIS 11 HA HIS 11 49.720 10.560 -2.123 82 HB2 HIS 11 HB2 HIS 11 52.258 11.019 -3.747 83 HB3 HIS 11 HB1 HIS 11 51.054 9.740 -4.037 84 HD1 HIS 11 HD1 HIS 11 48.518 10.637 -4.542 85 HD2 HIS 11 HD2 HIS 11 51.658 13.391 -5.043 86 HE1 HIS 11 HE1 HIS 11 47.613 12.578 -5.935 87 H ALA 12 HN ALA 12 50.012 8.558 -1.743 88 HA ALA 12 HA ALA 12 50.769 6.650 -0.740 89 HB1 ALA 12 HB1 ALA 12 53.059 6.397 -0.312 90 HB2 ALA 12 HB2 ALA 12 53.200 8.149 -0.174 91 HB3 ALA 12 HB3 ALA 12 52.954 7.417 -1.763 92 H ALA 13 HN ALA 13 51.572 9.824 0.565 93 HA ALA 13 HA ALA 13 51.443 8.942 3.354 94 HB1 ALA 13 HB1 ALA 13 50.742 11.588 1.946 95 HB2 ALA 13 HB2 ALA 13 52.232 11.265 2.865 96 HB3 ALA 13 HB3 ALA 13 50.665 11.340 3.706 97 H LYS 14 HN LYS 14 50.270 8.523 0.428 98 HA LYS 14 HA LYS 14 47.272 8.275 1.284 99 HB2 LYS 14 HB2 LYS 14 48.155 9.765 -0.682 100 HB3 LYS 14 HB1 LYS 14 48.587 8.194 -1.455 101 HG2 LYS 14 HG2 LYS 14 46.367 7.753 -1.998 102 HG3 LYS 14 HG1 LYS 14 45.740 8.380 -0.456 103 HD2 LYS 14 HD2 LYS 14 45.906 10.674 -1.261 104 HD3 LYS 14 HD1 LYS 14 46.724 10.136 -2.748 105 HE2 LYS 14 HE2 LYS 14 44.740 8.966 -3.501 106 HE3 LYS 14 HE1 LYS 14 43.928 9.232 -1.938 107 HZ1 LYS 14 HZ1 LYS 14 43.748 10.847 -4.124 108 HZ2 LYS 14 HZ2 LYS 14 44.870 11.664 -3.146 109 HZ3 LYS 14 HZ3 LYS 14 43.331 11.279 -2.538 110 H HIS 15 HN HIS 15 46.388 6.676 -0.619 111 HA HIS 15 HA HIS 15 45.997 4.373 -0.824 112 HB2 HIS 15 HB2 HIS 15 48.773 4.799 -1.989 113 HB3 HIS 15 HB1 HIS 15 47.781 3.348 -2.270 114 HD1 HIS 15 HD1 HIS 15 45.001 4.513 -2.684 115 HD2 HIS 15 HD2 HIS 15 48.466 6.234 -4.338 116 HE1 HIS 15 HE1 HIS 15 44.271 5.917 -4.691 117 H ILE 16 HN ILE 16 47.551 5.240 1.689 118 HA ILE 16 HA ILE 16 47.712 2.860 2.919 119 HB ILE 16 HB ILE 16 49.518 1.984 1.646 120 HG12 ILE 16 HG12 ILE 16 50.929 3.248 4.029 121 HG13 ILE 16 HG11 ILE 16 49.757 1.926 4.215 122 HG21 ILE 16 HG21 ILE 16 51.659 3.371 1.354 123 HG22 ILE 16 HG22 ILE 16 50.752 4.749 1.979 124 HG23 ILE 16 HG23 ILE 16 50.264 3.996 0.451 125 HD11 ILE 16 HD1 ILE 16 52.500 1.876 2.923 126 HD12 ILE 16 HD2 ILE 16 51.269 0.701 2.404 127 HD13 ILE 16 HD3 ILE 16 51.791 0.752 4.101 128 H GLY 17 HN GLY 17 49.252 5.767 2.523 129 HA2 GLY 17 HA1 GLY 17 49.542 6.214 5.415 130 HA3 GLY 17 HA2 GLY 17 49.804 7.413 4.132 131 H HIS 18 HN HIS 18 47.191 6.133 2.946 132 HA HIS 18 HA HIS 18 45.357 8.042 4.385 133 HB2 HIS 18 HB2 HIS 18 45.486 6.788 1.670 134 HB3 HIS 18 HB1 HIS 18 43.850 6.919 2.344 135 HD1 HIS 18 HD1 HIS 18 46.480 9.489 3.223 136 HD2 HIS 18 HD2 HIS 18 43.237 9.088 0.575 137 HE1 HIS 18 HE1 HIS 18 45.970 11.812 2.285 138 H ALA 19 HN ALA 19 45.629 4.560 3.457 139 HA ALA 19 HA ALA 19 44.677 3.458 5.821 140 HB1 ALA 19 HB1 ALA 19 42.174 2.984 4.992 141 HB2 ALA 19 HB2 ALA 19 42.410 4.530 4.144 142 HB3 ALA 19 HB3 ALA 19 42.565 4.451 5.915 143 H ALA 20 HN ALA 20 45.911 3.243 2.924 144 HA ALA 20 HA ALA 20 46.383 1.496 1.471 145 HB1 ALA 20 HB1 ALA 20 45.282 -0.359 3.605 146 HB2 ALA 20 HB2 ALA 20 46.887 0.400 3.721 147 HB3 ALA 20 HB3 ALA 20 46.520 -0.706 2.375 148 H VAL 21 HN VAL 21 43.497 2.584 2.155 149 HA VAL 21 HA VAL 21 42.148 0.924 0.078 150 HB VAL 21 HB VAL 21 40.926 1.528 2.814 151 HG11 VAL 21 HG11 VAL 21 39.844 0.316 0.240 152 HG12 VAL 21 HG12 VAL 21 39.147 1.615 1.239 153 HG13 VAL 21 HG13 VAL 21 39.107 -0.064 1.814 154 HG21 VAL 21 HG21 VAL 21 40.895 -0.996 3.005 155 HG22 VAL 21 HG22 VAL 21 42.533 -0.306 2.978 156 HG23 VAL 21 HG23 VAL 21 41.867 -1.072 1.516 157 H ASN 22 HN ASN 22 42.984 3.797 1.586 158 HA ASN 22 HA ASN 22 42.707 5.930 0.529 159 HB2 ASN 22 HB2 ASN 22 41.212 4.892 -1.294 160 HB3 ASN 22 HB1 ASN 22 39.843 5.208 -0.195 161 HD21 ASN 22 HD21 ASN 22 40.854 6.494 -2.893 162 HD22 ASN 22 HD22 ASN 22 40.802 8.221 -2.525 163 H HIS 23 HN HIS 23 40.216 4.219 2.355 164 HA HIS 23 HA HIS 23 40.354 6.111 4.528 165 HB2 HIS 23 HB2 HIS 23 39.047 7.493 2.902 166 HB3 HIS 23 HB1 HIS 23 37.809 6.216 2.858 167 HD1 HIS 23 HD1 HIS 23 36.379 5.815 5.015 168 HD2 HIS 23 HD2 HIS 23 39.030 9.073 5.247 169 HE1 HIS 23 HE1 HIS 23 35.727 7.182 7.073 170 H TYR 24 HN TYR 24 40.652 4.177 5.656 171 HA TYR 24 HA TYR 24 38.139 2.913 6.498 172 HB2 TYR 24 HB2 TYR 24 38.684 1.613 4.452 173 HB3 TYR 24 HB1 TYR 24 40.284 1.232 5.133 174 HD1 TYR 24 HD1 TYR 24 36.602 0.983 5.881 175 HD2 TYR 24 HD2 TYR 24 40.539 -0.654 6.558 176 HE1 TYR 24 HE1 TYR 24 35.596 -0.924 7.130 177 HE2 TYR 24 HE2 TYR 24 39.532 -2.561 7.805 178 HH TYR 24 HH TYR 24 36.857 -2.879 9.041 179 H LEU 25 HN LEU 25 40.748 4.399 7.323 180 HA LEU 25 HA LEU 25 42.382 2.787 8.920 181 HB2 LEU 25 HB2 LEU 25 42.550 5.303 8.493 182 HB3 LEU 25 HB1 LEU 25 41.332 5.510 9.769 183 HG LEU 25 HG LEU 25 42.975 4.010 11.221 184 HD11 LEU 25 HD11 LEU 25 44.560 3.380 9.477 185 HD12 LEU 25 HD12 LEU 25 45.381 4.478 10.606 186 HD13 LEU 25 HD13 LEU 25 44.817 5.084 9.032 187 HD21 LEU 25 HD21 LEU 25 43.625 6.895 10.468 188 HD22 LEU 25 HD22 LEU 25 44.200 6.061 11.931 189 HD23 LEU 25 HD23 LEU 25 42.461 6.370 11.707 Start of MODEL 79 1 H1 GLY 1 HT1 GLY 1 69.525 17.230 0.811 2 H2 GLY 1 HT2 GLY 1 68.019 18.004 0.660 3 H3 GLY 1 HT3 GLY 1 69.425 18.744 0.055 4 HA2 GLY 1 HA1 GLY 1 68.281 17.895 -1.769 5 HA3 GLY 1 HA2 GLY 1 69.695 16.865 -1.473 6 H TRP 2 HN TRP 2 66.436 16.885 -2.130 7 HA TRP 2 HA TRP 2 66.236 13.995 -1.596 8 HB2 TRP 2 HB2 TRP 2 64.392 15.967 -0.185 9 HB3 TRP 2 HB1 TRP 2 64.145 14.206 -0.261 10 HD1 TRP 2 HD1 TRP 2 66.172 16.885 1.470 11 HE1 TRP 2 HE1 TRP 2 67.659 15.832 3.326 12 HE3 TRP 2 HE3 TRP 2 65.479 11.939 0.349 13 HZ2 TRP 2 HZ2 TRP 2 68.425 13.191 4.180 14 HZ3 TRP 2 HZ3 TRP 2 66.598 10.170 1.697 15 HH2 TRP 2 HH2 TRP 2 68.068 10.790 3.610 16 H GLY 3 HN GLY 3 64.843 13.000 -2.969 17 HA2 GLY 3 HA1 GLY 3 63.926 14.489 -5.248 18 HA3 GLY 3 HA2 GLY 3 63.540 12.799 -4.871 19 H SER 4 HN SER 4 62.615 14.139 -2.136 20 HA SER 4 HA SER 4 60.213 15.582 -2.900 21 HB2 SER 4 HB2 SER 4 58.613 13.801 -2.099 22 HB3 SER 4 HB1 SER 4 59.407 13.432 -3.645 23 HG SER 4 HG SER 4 59.679 11.627 -2.453 24 H ILE 5 HN ILE 5 58.754 15.918 -0.995 25 HA ILE 5 HA ILE 5 60.106 15.460 1.637 26 HB ILE 5 HB ILE 5 59.076 18.219 0.844 27 HG12 ILE 5 HG12 ILE 5 61.925 17.120 0.768 28 HG13 ILE 5 HG11 ILE 5 60.971 17.680 -0.624 29 HG21 ILE 5 HG21 ILE 5 60.140 18.937 2.867 30 HG22 ILE 5 HG22 ILE 5 61.031 17.406 3.035 31 HG23 ILE 5 HG23 ILE 5 59.271 17.447 3.296 32 HD11 ILE 5 HD1 ILE 5 62.359 19.531 -0.095 33 HD12 ILE 5 HD2 ILE 5 62.133 19.316 1.656 34 HD13 ILE 5 HD3 ILE 5 60.799 19.944 0.655 35 H PHE 6 HN PHE 6 57.330 17.130 0.063 36 HA PHE 6 HA PHE 6 55.589 16.540 2.344 37 HB2 PHE 6 HB2 PHE 6 54.972 17.598 -0.444 38 HB3 PHE 6 HB1 PHE 6 53.828 17.549 0.919 39 HD1 PHE 6 HD1 PHE 6 57.049 19.011 -0.286 40 HD2 PHE 6 HD2 PHE 6 53.937 19.172 2.701 41 HE1 PHE 6 HE1 PHE 6 57.963 21.173 0.551 42 HE2 PHE 6 HE2 PHE 6 54.852 21.334 3.537 43 HZ PHE 6 HZ PHE 6 56.873 22.327 2.470 44 H LYS 7 HN LYS 7 56.717 14.165 1.453 45 HA LYS 7 HA LYS 7 56.146 12.024 0.775 46 HB2 LYS 7 HB2 LYS 7 53.455 13.190 1.561 47 HB3 LYS 7 HB1 LYS 7 53.585 11.522 0.952 48 HG2 LYS 7 HG2 LYS 7 53.689 11.646 3.449 49 HG3 LYS 7 HG1 LYS 7 55.163 10.949 2.736 50 HD2 LYS 7 HD2 LYS 7 56.409 12.961 3.071 51 HD3 LYS 7 HD1 LYS 7 54.939 13.913 3.392 52 HE2 LYS 7 HE2 LYS 7 55.842 11.594 5.149 53 HE3 LYS 7 HE1 LYS 7 56.300 13.286 5.456 54 HZ1 LYS 7 HZ1 LYS 7 53.850 13.785 5.388 55 HZ2 LYS 7 HZ2 LYS 7 54.370 12.866 6.718 56 HZ3 LYS 7 HZ3 LYS 7 53.571 12.112 5.423 57 H HIS 8 HN HIS 8 56.956 12.831 -1.359 58 HA HIS 8 HA HIS 8 56.734 13.059 -3.661 59 HB2 HIS 8 HB2 HIS 8 54.436 11.111 -3.285 60 HB3 HIS 8 HB1 HIS 8 55.460 11.314 -4.725 61 HD1 HIS 8 HD1 HIS 8 57.574 11.692 -1.817 62 HD2 HIS 8 HD2 HIS 8 56.033 8.428 -3.975 63 HE1 HIS 8 HE1 HIS 8 58.963 9.640 -1.192 64 H GLY 9 HN GLY 9 55.080 14.892 -1.954 65 HA2 GLY 9 HA1 GLY 9 53.692 16.676 -2.491 66 HA3 GLY 9 HA2 GLY 9 53.582 16.063 -4.151 67 H ARG 10 HN ARG 10 52.507 15.160 -0.839 68 HA ARG 10 HA ARG 10 50.458 14.390 -0.097 69 HB2 ARG 10 HB2 ARG 10 49.230 15.691 -2.549 70 HB3 ARG 10 HB1 ARG 10 48.503 15.447 -0.942 71 HG2 ARG 10 HG2 ARG 10 50.830 17.299 -1.625 72 HG3 ARG 10 HG1 ARG 10 49.182 17.787 -1.170 73 HD2 ARG 10 HD2 ARG 10 49.598 16.440 1.020 74 HD3 ARG 10 HD1 ARG 10 51.318 16.496 0.559 75 HE ARG 10 HE ARG 10 49.942 18.635 1.784 76 HH11 ARG 10 HH11 ARG 10 52.395 17.883 -0.453 77 HH12 ARG 10 HH12 ARG 10 52.788 19.533 -0.810 78 HH21 ARG 10 HH21 ARG 10 50.190 20.837 1.082 79 HH22 ARG 10 HH22 ARG 10 51.539 21.204 0.059 80 H HIS 11 HN HIS 11 51.870 12.462 -1.366 81 HA HIS 11 HA HIS 11 49.712 10.743 -2.327 82 HB2 HIS 11 HB2 HIS 11 50.298 11.854 -4.453 83 HB3 HIS 11 HB1 HIS 11 52.012 11.455 -4.199 84 HD1 HIS 11 HD1 HIS 11 52.730 8.938 -4.409 85 HD2 HIS 11 HD2 HIS 11 48.689 9.677 -5.315 86 HE1 HIS 11 HE1 HIS 11 51.830 6.871 -5.610 87 H ALA 12 HN ALA 12 50.049 9.608 -0.663 88 HA ALA 12 HA ALA 12 51.151 7.282 -0.374 89 HB1 ALA 12 HB1 ALA 12 53.357 8.001 -1.081 90 HB2 ALA 12 HB2 ALA 12 53.417 7.690 0.665 91 HB3 ALA 12 HB3 ALA 12 53.195 9.344 0.058 92 H ALA 13 HN ALA 13 51.329 10.565 0.742 93 HA ALA 13 HA ALA 13 50.894 9.915 3.584 94 HB1 ALA 13 HB1 ALA 13 49.722 12.203 3.515 95 HB2 ALA 13 HB2 ALA 13 50.165 12.309 1.795 96 HB3 ALA 13 HB3 ALA 13 51.435 12.272 3.040 97 H LYS 14 HN LYS 14 50.227 9.168 0.539 98 HA LYS 14 HA LYS 14 47.209 8.526 0.988 99 HB2 LYS 14 HB2 LYS 14 48.153 10.006 -0.930 100 HB3 LYS 14 HB1 LYS 14 48.942 8.490 -1.518 101 HG2 LYS 14 HG2 LYS 14 46.915 7.670 -2.338 102 HG3 LYS 14 HG1 LYS 14 45.965 8.289 -0.968 103 HD2 LYS 14 HD2 LYS 14 45.981 10.544 -1.937 104 HD3 LYS 14 HD1 LYS 14 47.033 9.993 -3.263 105 HE2 LYS 14 HE2 LYS 14 45.304 8.487 -4.086 106 HE3 LYS 14 HE1 LYS 14 44.267 8.850 -2.685 107 HZ1 LYS 14 HZ1 LYS 14 44.343 11.225 -3.438 108 HZ2 LYS 14 HZ2 LYS 14 43.512 10.171 -4.480 109 HZ3 LYS 14 HZ3 LYS 14 45.081 10.694 -4.871 110 H HIS 15 HN HIS 15 46.866 6.707 -0.906 111 HA HIS 15 HA HIS 15 46.806 4.364 -0.972 112 HB2 HIS 15 HB2 HIS 15 49.720 4.876 -1.668 113 HB3 HIS 15 HB1 HIS 15 48.700 3.525 -2.221 114 HD1 HIS 15 HD1 HIS 15 46.312 4.480 -3.435 115 HD2 HIS 15 HD2 HIS 15 49.678 6.993 -3.436 116 HE1 HIS 15 HE1 HIS 15 46.000 6.173 -5.323 117 H ILE 16 HN ILE 16 47.779 5.563 1.660 118 HA ILE 16 HA ILE 16 48.082 3.318 3.088 119 HB ILE 16 HB ILE 16 50.171 2.645 2.156 120 HG12 ILE 16 HG12 ILE 16 51.790 2.850 3.990 121 HG13 ILE 16 HG11 ILE 16 50.842 4.166 4.714 122 HG21 ILE 16 HG21 ILE 16 52.135 4.281 2.100 123 HG22 ILE 16 HG22 ILE 16 50.977 5.561 2.470 124 HG23 ILE 16 HG23 ILE 16 50.838 4.670 0.947 125 HD11 ILE 16 HD1 ILE 16 49.678 1.405 4.161 126 HD12 ILE 16 HD2 ILE 16 48.997 2.690 5.185 127 HD13 ILE 16 HD3 ILE 16 50.463 1.826 5.700 128 H GLY 17 HN GLY 17 49.345 6.359 2.710 129 HA2 GLY 17 HA1 GLY 17 49.071 7.043 5.545 130 HA3 GLY 17 HA2 GLY 17 49.390 8.176 4.217 131 H HIS 18 HN HIS 18 47.151 6.483 2.772 132 HA HIS 18 HA HIS 18 44.909 8.236 3.760 133 HB2 HIS 18 HB2 HIS 18 45.617 6.828 1.218 134 HB3 HIS 18 HB1 HIS 18 43.898 6.740 1.637 135 HD1 HIS 18 HD1 HIS 18 43.325 8.328 -0.380 136 HD2 HIS 18 HD2 HIS 18 45.815 10.053 2.537 137 HE1 HIS 18 HE1 HIS 18 43.329 10.852 -0.777 138 H ALA 19 HN ALA 19 45.780 4.789 3.229 139 HA ALA 19 HA ALA 19 44.691 3.674 5.495 140 HB1 ALA 19 HB1 ALA 19 42.471 4.384 5.335 141 HB2 ALA 19 HB2 ALA 19 42.364 2.852 4.442 142 HB3 ALA 19 HB3 ALA 19 42.498 4.391 3.557 143 H ALA 20 HN ALA 20 46.237 3.530 2.770 144 HA ALA 20 HA ALA 20 47.128 1.822 1.488 145 HB1 ALA 20 HB1 ALA 20 45.919 -0.150 3.450 146 HB2 ALA 20 HB2 ALA 20 47.365 0.814 3.838 147 HB3 ALA 20 HB3 ALA 20 47.393 -0.322 2.468 148 H VAL 21 HN VAL 21 44.002 2.524 1.769 149 HA VAL 21 HA VAL 21 43.251 0.734 -0.501 150 HB VAL 21 HB VAL 21 41.501 1.095 1.971 151 HG11 VAL 21 HG11 VAL 21 40.227 -0.823 0.755 152 HG12 VAL 21 HG12 VAL 21 41.170 -0.362 -0.682 153 HG13 VAL 21 HG13 VAL 21 40.074 0.814 0.083 154 HG21 VAL 21 HG21 VAL 21 43.366 -0.378 2.518 155 HG22 VAL 21 HG22 VAL 21 43.155 -1.278 0.997 156 HG23 VAL 21 HG23 VAL 21 41.919 -1.382 2.274 157 H ASN 22 HN ASN 22 43.339 3.699 1.118 158 HA ASN 22 HA ASN 22 42.868 5.712 -0.214 159 HB2 ASN 22 HB2 ASN 22 41.518 4.569 -1.978 160 HB3 ASN 22 HB1 ASN 22 40.158 4.463 -0.826 161 HD21 ASN 22 HD21 ASN 22 42.333 6.820 -2.493 162 HD22 ASN 22 HD22 ASN 22 41.177 8.155 -2.415 163 H HIS 23 HN HIS 23 40.411 3.909 1.686 164 HA HIS 23 HA HIS 23 40.544 5.852 3.820 165 HB2 HIS 23 HB2 HIS 23 39.265 7.195 2.131 166 HB3 HIS 23 HB1 HIS 23 38.001 5.943 2.154 167 HD1 HIS 23 HD1 HIS 23 36.117 6.555 3.655 168 HD2 HIS 23 HD2 HIS 23 39.815 7.863 5.169 169 HE1 HIS 23 HE1 HIS 23 35.654 7.762 5.859 170 H TYR 24 HN TYR 24 39.706 2.894 2.499 171 HA TYR 24 HA TYR 24 37.464 2.003 3.915 172 HB2 TYR 24 HB2 TYR 24 38.904 0.689 2.265 173 HB3 TYR 24 HB1 TYR 24 40.004 0.357 3.624 174 HD1 TYR 24 HD1 TYR 24 36.741 -0.401 2.109 175 HD2 TYR 24 HD2 TYR 24 39.213 -0.931 5.608 176 HE1 TYR 24 HE1 TYR 24 35.264 -2.257 2.872 177 HE2 TYR 24 HE2 TYR 24 37.734 -2.787 6.371 178 HH TYR 24 HH TYR 24 35.662 -3.667 6.108 179 H LEU 25 HN LEU 25 40.485 3.069 5.177 180 HA LEU 25 HA LEU 25 41.344 3.103 7.323 181 HB2 LEU 25 HB2 LEU 25 39.267 4.343 7.757 182 HB3 LEU 25 HB1 LEU 25 38.390 2.820 8.018 183 HG LEU 25 HG LEU 25 39.811 2.317 9.983 184 HD11 LEU 25 HD11 LEU 25 41.218 4.863 9.097 185 HD12 LEU 25 HD12 LEU 25 41.925 3.300 9.574 186 HD13 LEU 25 HD13 LEU 25 41.237 4.375 10.809 187 HD21 LEU 25 HD21 LEU 25 37.709 3.712 10.156 188 HD22 LEU 25 HD22 LEU 25 38.736 5.166 10.115 189 HD23 LEU 25 HD23 LEU 25 38.884 4.008 11.459 Start of MODEL 80 1 H1 GLY 1 HT1 GLY 1 67.441 11.930 0.652 2 H2 GLY 1 HT2 GLY 1 67.066 13.537 1.055 3 H3 GLY 1 HT3 GLY 1 67.798 13.178 -0.437 4 HA2 GLY 1 HA1 GLY 1 65.538 11.637 -0.318 5 HA3 GLY 1 HA2 GLY 1 65.082 13.250 0.261 6 H TRP 2 HN TRP 2 63.929 12.399 -2.012 7 HA TRP 2 HA TRP 2 65.421 13.041 -4.401 8 HB2 TRP 2 HB2 TRP 2 63.333 11.641 -4.319 9 HB3 TRP 2 HB1 TRP 2 62.408 13.126 -3.979 10 HD1 TRP 2 HD1 TRP 2 62.333 14.993 -5.905 11 HE1 TRP 2 HE1 TRP 2 62.597 14.844 -8.487 12 HE3 TRP 2 HE3 TRP 2 64.540 10.384 -6.225 13 HZ2 TRP 2 HZ2 TRP 2 63.633 12.960 -10.403 14 HZ3 TRP 2 HZ3 TRP 2 65.157 9.431 -8.440 15 HH2 TRP 2 HH2 TRP 2 64.706 10.714 -10.528 16 H GLY 3 HN GLY 3 63.911 14.942 -1.946 17 HA2 GLY 3 HA1 GLY 3 63.889 17.253 -1.700 18 HA3 GLY 3 HA2 GLY 3 64.785 17.399 -3.226 19 H SER 4 HN SER 4 61.796 15.583 -3.041 20 HA SER 4 HA SER 4 60.573 17.004 -5.176 21 HB2 SER 4 HB2 SER 4 59.093 15.539 -2.965 22 HB3 SER 4 HB1 SER 4 58.583 15.773 -4.651 23 HG SER 4 HG SER 4 60.390 14.504 -5.270 24 H ILE 5 HN ILE 5 57.910 17.383 -4.034 25 HA ILE 5 HA ILE 5 58.274 19.706 -2.193 26 HB ILE 5 HB ILE 5 56.644 20.039 -4.749 27 HG12 ILE 5 HG12 ILE 5 59.575 20.741 -4.254 28 HG13 ILE 5 HG11 ILE 5 58.944 19.598 -5.463 29 HG21 ILE 5 HG21 ILE 5 57.980 22.128 -2.978 30 HG22 ILE 5 HG22 ILE 5 56.340 21.515 -2.657 31 HG23 ILE 5 HG23 ILE 5 56.687 22.366 -4.179 32 HD11 ILE 5 HD1 ILE 5 58.689 22.624 -5.406 33 HD12 ILE 5 HD2 ILE 5 57.585 21.620 -6.380 34 HD13 ILE 5 HD3 ILE 5 59.336 21.586 -6.699 35 H PHE 6 HN PHE 6 56.403 17.156 -3.643 36 HA PHE 6 HA PHE 6 54.413 17.403 -1.452 37 HB2 PHE 6 HB2 PHE 6 53.583 17.406 -4.383 38 HB3 PHE 6 HB1 PHE 6 52.492 17.322 -2.979 39 HD1 PHE 6 HD1 PHE 6 52.559 19.239 -1.266 40 HD2 PHE 6 HD2 PHE 6 54.357 19.520 -5.181 41 HE1 PHE 6 HE1 PHE 6 52.576 21.724 -1.082 42 HE2 PHE 6 HE2 PHE 6 54.371 22.005 -4.996 43 HZ PHE 6 HZ PHE 6 53.485 23.106 -2.943 44 H LYS 7 HN LYS 7 56.140 15.664 -3.892 45 HA LYS 7 HA LYS 7 54.658 13.272 -4.073 46 HB2 LYS 7 HB2 LYS 7 56.796 13.907 -5.314 47 HB3 LYS 7 HB1 LYS 7 57.688 13.397 -3.861 48 HG2 LYS 7 HG2 LYS 7 56.442 11.165 -4.031 49 HG3 LYS 7 HG1 LYS 7 55.890 11.699 -5.636 50 HD2 LYS 7 HD2 LYS 7 58.811 11.507 -4.771 51 HD3 LYS 7 HD1 LYS 7 57.958 10.286 -5.745 52 HE2 LYS 7 HE2 LYS 7 57.406 12.258 -7.363 53 HE3 LYS 7 HE1 LYS 7 58.691 13.136 -6.496 54 HZ1 LYS 7 HZ1 LYS 7 59.043 10.449 -7.727 55 HZ2 LYS 7 HZ2 LYS 7 60.251 11.441 -7.060 56 HZ3 LYS 7 HZ3 LYS 7 59.461 11.905 -8.491 57 H HIS 8 HN HIS 8 57.472 13.817 -1.895 58 HA HIS 8 HA HIS 8 56.572 11.574 -0.181 59 HB2 HIS 8 HB2 HIS 8 58.661 12.139 1.098 60 HB3 HIS 8 HB1 HIS 8 58.947 11.765 -0.618 61 HD1 HIS 8 HD1 HIS 8 57.443 15.092 0.291 62 HD2 HIS 8 HD2 HIS 8 61.204 13.517 -0.735 63 HE1 HIS 8 HE1 HIS 8 59.004 17.068 -0.143 64 H GLY 9 HN GLY 9 54.644 13.582 -0.213 65 HA2 GLY 9 HA1 GLY 9 54.335 14.077 2.583 66 HA3 GLY 9 HA2 GLY 9 54.928 15.558 1.806 67 H ARG 10 HN ARG 10 52.972 13.342 -0.046 68 HA ARG 10 HA ARG 10 50.415 14.511 0.648 69 HB2 ARG 10 HB2 ARG 10 51.717 16.366 -0.674 70 HB3 ARG 10 HB1 ARG 10 51.397 15.355 -2.101 71 HG2 ARG 10 HG2 ARG 10 48.968 15.449 -1.639 72 HG3 ARG 10 HG1 ARG 10 49.274 16.417 -0.177 73 HD2 ARG 10 HD2 ARG 10 50.363 18.161 -1.613 74 HD3 ARG 10 HD1 ARG 10 49.916 17.212 -3.051 75 HE ARG 10 HE ARG 10 47.723 18.046 -2.813 76 HH11 ARG 10 HH11 ARG 10 46.509 17.213 -0.520 77 HH12 ARG 10 HH12 ARG 10 46.557 18.528 0.606 78 HH21 ARG 10 HH21 ARG 10 49.072 20.222 -1.077 79 HH22 ARG 10 HH22 ARG 10 48.010 20.232 0.290 80 H HIS 11 HN HIS 11 52.227 12.087 -0.354 81 HA HIS 11 HA HIS 11 49.939 10.686 -1.570 82 HB2 HIS 11 HB2 HIS 11 51.129 11.791 -3.524 83 HB3 HIS 11 HB1 HIS 11 52.567 10.830 -3.101 84 HD1 HIS 11 HD1 HIS 11 52.535 8.295 -3.574 85 HD2 HIS 11 HD2 HIS 11 48.991 10.283 -4.651 86 HE1 HIS 11 HE1 HIS 11 51.122 6.653 -4.929 87 H ALA 12 HN ALA 12 49.953 8.629 -1.463 88 HA ALA 12 HA ALA 12 50.420 6.519 -0.714 89 HB1 ALA 12 HB1 ALA 12 52.731 7.126 -1.575 90 HB2 ALA 12 HB2 ALA 12 52.639 5.905 -0.278 91 HB3 ALA 12 HB3 ALA 12 53.003 7.592 0.095 92 H ALA 13 HN ALA 13 51.590 9.359 1.017 93 HA ALA 13 HA ALA 13 51.245 8.154 3.663 94 HB1 ALA 13 HB1 ALA 13 50.979 11.026 2.590 95 HB2 ALA 13 HB2 ALA 13 52.352 10.382 3.521 96 HB3 ALA 13 HB3 ALA 13 50.764 10.580 4.299 97 H LYS 14 HN LYS 14 50.127 8.272 0.688 98 HA LYS 14 HA LYS 14 47.094 8.330 1.461 99 HB2 LYS 14 HB2 LYS 14 48.227 9.923 -0.284 100 HB3 LYS 14 HB1 LYS 14 48.482 8.419 -1.243 101 HG2 LYS 14 HG2 LYS 14 46.247 8.335 -1.878 102 HG3 LYS 14 HG1 LYS 14 45.650 8.865 -0.290 103 HD2 LYS 14 HD2 LYS 14 46.064 11.181 -0.810 104 HD3 LYS 14 HD1 LYS 14 46.987 10.754 -2.271 105 HE2 LYS 14 HE2 LYS 14 44.501 11.517 -2.559 106 HE3 LYS 14 HE1 LYS 14 45.047 10.074 -3.448 107 HZ1 LYS 14 HZ1 LYS 14 43.711 10.001 -0.788 108 HZ2 LYS 14 HZ2 LYS 14 44.104 8.674 -1.772 109 HZ3 LYS 14 HZ3 LYS 14 42.908 9.775 -2.265 110 H HIS 15 HN HIS 15 46.063 7.138 -0.629 111 HA HIS 15 HA HIS 15 45.358 4.961 -1.124 112 HB2 HIS 15 HB2 HIS 15 48.160 5.198 -2.267 113 HB3 HIS 15 HB1 HIS 15 47.015 3.909 -2.714 114 HD1 HIS 15 HD1 HIS 15 44.557 6.158 -2.343 115 HD2 HIS 15 HD2 HIS 15 47.782 6.126 -5.037 116 HE1 HIS 15 HE1 HIS 15 43.925 7.669 -4.304 117 H ILE 16 HN ILE 16 46.879 5.228 1.499 118 HA ILE 16 HA ILE 16 46.758 2.715 2.391 119 HB ILE 16 HB ILE 16 48.450 1.801 0.955 120 HG12 ILE 16 HG12 ILE 16 49.919 2.453 3.544 121 HG13 ILE 16 HG11 ILE 16 48.652 1.218 3.413 122 HG21 ILE 16 HG21 ILE 16 50.783 2.905 0.914 123 HG22 ILE 16 HG22 ILE 16 50.031 4.292 1.706 124 HG23 ILE 16 HG23 ILE 16 49.515 3.820 0.078 125 HD11 ILE 16 HD1 ILE 16 50.215 0.357 1.379 126 HD12 ILE 16 HD2 ILE 16 50.523 -0.125 3.060 127 HD13 ILE 16 HD3 ILE 16 51.468 1.190 2.329 128 H GLY 17 HN GLY 17 48.536 5.508 2.338 129 HA2 GLY 17 HA1 GLY 17 48.877 5.491 5.285 130 HA3 GLY 17 HA2 GLY 17 49.378 6.779 4.171 131 H HIS 18 HN HIS 18 46.639 6.004 2.783 132 HA HIS 18 HA HIS 18 45.048 8.013 4.375 133 HB2 HIS 18 HB2 HIS 18 45.128 7.098 1.535 134 HB3 HIS 18 HB1 HIS 18 43.489 7.333 2.164 135 HD1 HIS 18 HD1 HIS 18 43.159 9.440 0.650 136 HD2 HIS 18 HD2 HIS 18 46.306 9.783 3.419 137 HE1 HIS 18 HE1 HIS 18 43.802 11.910 0.772 138 H ALA 19 HN ALA 19 45.010 4.552 3.330 139 HA ALA 19 HA ALA 19 43.002 4.110 5.505 140 HB1 ALA 19 HB1 ALA 19 41.366 3.016 4.080 141 HB2 ALA 19 HB2 ALA 19 42.348 3.366 2.639 142 HB3 ALA 19 HB3 ALA 19 41.607 4.697 3.556 143 H ALA 20 HN ALA 20 45.784 3.290 4.844 144 HA ALA 20 HA ALA 20 47.049 1.368 5.087 145 HB1 ALA 20 HB1 ALA 20 44.517 -0.077 5.892 146 HB2 ALA 20 HB2 ALA 20 45.345 1.074 6.967 147 HB3 ALA 20 HB3 ALA 20 46.189 -0.390 6.409 148 H VAL 21 HN VAL 21 44.450 1.528 2.879 149 HA VAL 21 HA VAL 21 45.728 -0.571 1.220 150 HB VAL 21 HB VAL 21 42.778 -0.737 2.009 151 HG11 VAL 21 HG11 VAL 21 44.486 -2.256 -0.008 152 HG12 VAL 21 HG12 VAL 21 42.986 -1.348 -0.313 153 HG13 VAL 21 HG13 VAL 21 42.931 -2.874 0.593 154 HG21 VAL 21 HG21 VAL 21 43.539 -3.043 2.829 155 HG22 VAL 21 HG22 VAL 21 44.132 -1.666 3.781 156 HG23 VAL 21 HG23 VAL 21 45.211 -2.473 2.618 157 H ASN 22 HN ASN 22 43.593 2.202 1.651 158 HA ASN 22 HA ASN 22 44.053 3.021 -1.085 159 HB2 ASN 22 HB2 ASN 22 42.449 1.270 -1.632 160 HB3 ASN 22 HB1 ASN 22 41.296 1.906 -0.440 161 HD21 ASN 22 HD21 ASN 22 43.291 3.272 -3.171 162 HD22 ASN 22 HD22 ASN 22 41.956 4.210 -3.848 163 H HIS 23 HN HIS 23 40.851 3.515 0.216 164 HA HIS 23 HA HIS 23 41.611 6.020 1.613 165 HB2 HIS 23 HB2 HIS 23 41.447 6.630 -0.815 166 HB3 HIS 23 HB1 HIS 23 39.758 6.066 -0.800 167 HD1 HIS 23 HD1 HIS 23 41.879 8.339 1.487 168 HD2 HIS 23 HD2 HIS 23 38.152 8.274 -0.456 169 HE1 HIS 23 HE1 HIS 23 40.648 10.484 2.129 170 H TYR 24 HN TYR 24 39.981 3.243 1.608 171 HA TYR 24 HA TYR 24 37.312 4.155 2.388 172 HB2 TYR 24 HB2 TYR 24 38.634 1.456 2.869 173 HB3 TYR 24 HB1 TYR 24 36.892 1.822 2.892 174 HD1 TYR 24 HD1 TYR 24 35.898 2.908 0.718 175 HD2 TYR 24 HD2 TYR 24 39.636 0.749 0.837 176 HE1 TYR 24 HE1 TYR 24 35.768 2.542 -1.742 177 HE2 TYR 24 HE2 TYR 24 39.502 0.383 -1.623 178 HH TYR 24 HH TYR 24 36.799 0.542 -3.315 179 H LEU 25 HN LEU 25 39.818 5.134 3.838 180 HA LEU 25 HA LEU 25 40.465 5.548 6.027 181 HB2 LEU 25 HB2 LEU 25 38.089 6.482 5.938 182 HB3 LEU 25 HB1 LEU 25 37.560 4.970 6.707 183 HG LEU 25 HG LEU 25 39.426 5.522 8.505 184 HD11 LEU 25 HD11 LEU 25 38.937 8.248 7.215 185 HD12 LEU 25 HD12 LEU 25 40.497 7.414 7.407 186 HD13 LEU 25 HD13 LEU 25 39.634 8.025 8.834 187 HD21 LEU 25 HD21 LEU 25 37.783 6.854 9.801 188 HD22 LEU 25 HD22 LEU 25 36.992 5.503 8.955 189 HD23 LEU 25 HD23 LEU 25 36.856 7.158 8.313 Start of MODEL 81 1 H1 GLY 1 HT1 GLY 1 66.739 19.625 -6.177 2 H2 GLY 1 HT2 GLY 1 67.970 19.900 -7.315 3 H3 GLY 1 HT3 GLY 1 68.085 20.563 -5.754 4 HA2 GLY 1 HA1 GLY 1 69.108 18.197 -6.646 5 HA3 GLY 1 HA2 GLY 1 69.054 18.801 -4.978 6 H TRP 2 HN TRP 2 65.924 18.561 -6.160 7 HA TRP 2 HA TRP 2 65.555 15.685 -5.634 8 HB2 TRP 2 HB2 TRP 2 64.332 17.735 -3.742 9 HB3 TRP 2 HB1 TRP 2 64.081 15.974 -3.706 10 HD1 TRP 2 HD1 TRP 2 66.243 14.453 -3.099 11 HE1 TRP 2 HE1 TRP 2 68.322 14.949 -1.618 12 HE3 TRP 2 HE3 TRP 2 65.933 19.562 -2.955 13 HZ2 TRP 2 HZ2 TRP 2 69.645 17.266 -0.534 14 HZ3 TRP 2 HZ3 TRP 2 67.613 20.894 -1.692 15 HH2 TRP 2 HH2 TRP 2 69.468 19.753 -0.482 16 H GLY 3 HN GLY 3 63.780 18.816 -5.562 17 HA2 GLY 3 HA1 GLY 3 62.120 19.552 -7.036 18 HA3 GLY 3 HA2 GLY 3 62.241 18.029 -7.939 19 H SER 4 HN SER 4 62.019 17.166 -4.762 20 HA SER 4 HA SER 4 59.216 16.353 -5.078 21 HB2 SER 4 HB2 SER 4 61.158 16.091 -2.747 22 HB3 SER 4 HB1 SER 4 59.548 15.340 -2.829 23 HG SER 4 HG SER 4 61.140 13.897 -3.551 24 H ILE 5 HN ILE 5 58.366 18.574 -5.295 25 HA ILE 5 HA ILE 5 58.473 20.348 -2.989 26 HB ILE 5 HB ILE 5 56.376 20.411 -5.199 27 HG12 ILE 5 HG12 ILE 5 59.250 21.446 -5.235 28 HG13 ILE 5 HG11 ILE 5 58.574 20.165 -6.268 29 HG21 ILE 5 HG21 ILE 5 56.265 22.751 -4.702 30 HG22 ILE 5 HG22 ILE 5 57.764 22.698 -3.742 31 HG23 ILE 5 HG23 ILE 5 56.280 21.936 -3.122 32 HD11 ILE 5 HD1 ILE 5 56.845 21.958 -7.027 33 HD12 ILE 5 HD2 ILE 5 58.510 22.103 -7.639 34 HD13 ILE 5 HD3 ILE 5 57.962 23.139 -6.300 35 H PHE 6 HN PHE 6 56.390 17.728 -4.075 36 HA PHE 6 HA PHE 6 55.012 17.758 -1.461 37 HB2 PHE 6 HB2 PHE 6 53.532 18.266 -4.073 38 HB3 PHE 6 HB1 PHE 6 52.738 17.731 -2.573 39 HD1 PHE 6 HD1 PHE 6 53.790 20.594 -4.443 40 HD2 PHE 6 HD2 PHE 6 53.314 19.136 -0.407 41 HE1 PHE 6 HE1 PHE 6 53.732 22.937 -3.602 42 HE2 PHE 6 HE2 PHE 6 53.258 21.481 0.432 43 HZ PHE 6 HZ PHE 6 53.539 23.378 -1.158 44 H LYS 7 HN LYS 7 56.544 16.185 -3.861 45 HA LYS 7 HA LYS 7 54.919 13.903 -4.400 46 HB2 LYS 7 HB2 LYS 7 57.947 13.997 -4.110 47 HB3 LYS 7 HB1 LYS 7 57.008 12.781 -4.998 48 HG2 LYS 7 HG2 LYS 7 56.927 15.758 -5.662 49 HG3 LYS 7 HG1 LYS 7 58.065 14.626 -6.424 50 HD2 LYS 7 HD2 LYS 7 55.973 13.213 -7.040 51 HD3 LYS 7 HD1 LYS 7 55.026 14.656 -6.608 52 HE2 LYS 7 HE2 LYS 7 56.477 15.978 -8.216 53 HE3 LYS 7 HE1 LYS 7 57.171 14.430 -8.755 54 HZ1 LYS 7 HZ1 LYS 7 54.511 13.956 -8.833 55 HZ2 LYS 7 HZ2 LYS 7 55.457 14.412 -10.168 56 HZ3 LYS 7 HZ3 LYS 7 54.581 15.584 -9.304 57 H HIS 8 HN HIS 8 57.765 13.940 -2.216 58 HA HIS 8 HA HIS 8 56.668 11.655 -0.725 59 HB2 HIS 8 HB2 HIS 8 59.112 11.957 -1.201 60 HB3 HIS 8 HB1 HIS 8 59.106 13.374 -0.123 61 HD1 HIS 8 HD1 HIS 8 58.469 9.603 -0.088 62 HD2 HIS 8 HD2 HIS 8 59.293 12.742 2.584 63 HE1 HIS 8 HE1 HIS 8 58.819 8.566 2.220 64 H GLY 9 HN GLY 9 54.882 13.809 -0.612 65 HA2 GLY 9 HA1 GLY 9 54.622 14.070 2.261 66 HA3 GLY 9 HA2 GLY 9 55.134 15.597 1.519 67 H ARG 10 HN ARG 10 53.135 13.321 -0.251 68 HA ARG 10 HA ARG 10 50.606 14.494 0.559 69 HB2 ARG 10 HB2 ARG 10 51.760 16.312 -0.892 70 HB3 ARG 10 HB1 ARG 10 51.479 15.216 -2.263 71 HG2 ARG 10 HG2 ARG 10 49.074 15.271 -1.899 72 HG3 ARG 10 HG1 ARG 10 49.273 16.168 -0.375 73 HD2 ARG 10 HD2 ARG 10 50.336 18.037 -1.687 74 HD3 ARG 10 HD1 ARG 10 49.939 17.153 -3.181 75 HE ARG 10 HE ARG 10 47.581 17.469 -1.544 76 HH11 ARG 10 HH11 ARG 10 47.494 20.075 -1.252 77 HH12 ARG 10 HH12 ARG 10 47.334 20.834 -2.801 78 HH21 ARG 10 HH21 ARG 10 48.355 18.035 -4.576 79 HH22 ARG 10 HH22 ARG 10 47.821 19.680 -4.682 80 H HIS 11 HN HIS 11 52.446 12.076 -0.598 81 HA HIS 11 HA HIS 11 50.054 10.620 -1.606 82 HB2 HIS 11 HB2 HIS 11 52.666 10.732 -3.168 83 HB3 HIS 11 HB1 HIS 11 51.230 9.761 -3.576 84 HD1 HIS 11 HD1 HIS 11 48.972 11.164 -4.106 85 HD2 HIS 11 HD2 HIS 11 52.542 13.386 -4.036 86 HE1 HIS 11 HE1 HIS 11 48.518 13.374 -5.306 87 H ALA 12 HN ALA 12 50.035 8.566 -1.429 88 HA ALA 12 HA ALA 12 50.457 6.483 -0.590 89 HB1 ALA 12 HB1 ALA 12 53.068 7.531 0.158 90 HB2 ALA 12 HB2 ALA 12 52.761 6.997 -1.499 91 HB3 ALA 12 HB3 ALA 12 52.672 5.849 -0.139 92 H ALA 13 HN ALA 13 51.684 9.366 1.026 93 HA ALA 13 HA ALA 13 51.335 8.264 3.715 94 HB1 ALA 13 HB1 ALA 13 51.159 11.088 2.512 95 HB2 ALA 13 HB2 ALA 13 52.461 10.457 3.549 96 HB3 ALA 13 HB3 ALA 13 50.841 10.741 4.228 97 H LYS 14 HN LYS 14 50.207 8.289 0.741 98 HA LYS 14 HA LYS 14 47.182 8.422 1.517 99 HB2 LYS 14 HB2 LYS 14 48.336 9.931 -0.286 100 HB3 LYS 14 HB1 LYS 14 48.549 8.393 -1.196 101 HG2 LYS 14 HG2 LYS 14 46.302 8.342 -1.809 102 HG3 LYS 14 HG1 LYS 14 45.731 8.911 -0.225 103 HD2 LYS 14 HD2 LYS 14 45.161 10.598 -1.849 104 HD3 LYS 14 HD1 LYS 14 46.513 11.244 -0.896 105 HE2 LYS 14 HE2 LYS 14 47.128 11.715 -3.137 106 HE3 LYS 14 HE1 LYS 14 48.033 10.229 -2.770 107 HZ1 LYS 14 HZ1 LYS 14 46.337 8.936 -3.848 108 HZ2 LYS 14 HZ2 LYS 14 46.854 10.151 -4.917 109 HZ3 LYS 14 HZ3 LYS 14 45.371 10.306 -4.102 110 H HIS 15 HN HIS 15 46.121 7.163 -0.536 111 HA HIS 15 HA HIS 15 45.382 4.980 -0.955 112 HB2 HIS 15 HB2 HIS 15 46.885 5.694 -2.830 113 HB3 HIS 15 HB1 HIS 15 48.222 4.836 -2.027 114 HD1 HIS 15 HD1 HIS 15 44.602 4.040 -3.093 115 HD2 HIS 15 HD2 HIS 15 48.405 2.251 -2.952 116 HE1 HIS 15 HE1 HIS 15 44.372 1.685 -4.054 117 H ILE 16 HN ILE 16 46.946 5.351 1.637 118 HA ILE 16 HA ILE 16 46.743 2.876 2.636 119 HB ILE 16 HB ILE 16 48.435 1.875 1.283 120 HG12 ILE 16 HG12 ILE 16 50.228 1.273 2.851 121 HG13 ILE 16 HG11 ILE 16 49.775 2.615 3.922 122 HG21 ILE 16 HG21 ILE 16 49.530 3.835 0.324 123 HG22 ILE 16 HG22 ILE 16 50.774 2.919 1.201 124 HG23 ILE 16 HG23 ILE 16 50.065 4.362 1.931 125 HD11 ILE 16 HD1 ILE 16 47.812 0.434 3.102 126 HD12 ILE 16 HD2 ILE 16 47.648 1.609 4.427 127 HD13 ILE 16 HD3 ILE 16 48.845 0.301 4.542 128 H GLY 17 HN GLY 17 48.751 5.511 2.541 129 HA2 GLY 17 HA1 GLY 17 49.003 5.664 5.460 130 HA3 GLY 17 HA2 GLY 17 49.475 6.918 4.297 131 H HIS 18 HN HIS 18 46.729 6.174 2.967 132 HA HIS 18 HA HIS 18 45.168 8.188 4.588 133 HB2 HIS 18 HB2 HIS 18 45.162 7.228 1.747 134 HB3 HIS 18 HB1 HIS 18 43.560 7.583 2.424 135 HD1 HIS 18 HD1 HIS 18 46.546 9.537 3.641 136 HD2 HIS 18 HD2 HIS 18 43.343 10.020 0.961 137 HE1 HIS 18 HE1 HIS 18 46.501 11.995 2.944 138 H ALA 19 HN ALA 19 44.924 4.832 3.272 139 HA ALA 19 HA ALA 19 43.733 3.647 5.484 140 HB1 ALA 19 HB1 ALA 19 41.798 4.940 5.658 141 HB2 ALA 19 HB2 ALA 19 41.214 3.674 4.557 142 HB3 ALA 19 HB3 ALA 19 41.727 5.251 3.907 143 H ALA 20 HN ALA 20 45.016 3.545 2.606 144 HA ALA 20 HA ALA 20 45.292 1.890 1.008 145 HB1 ALA 20 HB1 ALA 20 45.393 0.497 3.169 146 HB2 ALA 20 HB2 ALA 20 45.022 -0.372 1.660 147 HB3 ALA 20 HB3 ALA 20 43.718 0.022 2.805 148 H VAL 21 HN VAL 21 42.530 3.350 1.728 149 HA VAL 21 HA VAL 21 41.118 2.217 -0.650 150 HB VAL 21 HB VAL 21 39.757 2.693 2.044 151 HG11 VAL 21 HG11 VAL 21 38.169 3.157 0.333 152 HG12 VAL 21 HG12 VAL 21 37.857 1.461 0.755 153 HG13 VAL 21 HG13 VAL 21 38.780 1.856 -0.715 154 HG21 VAL 21 HG21 VAL 21 40.464 0.114 0.570 155 HG22 VAL 21 HG22 VAL 21 39.408 0.201 2.000 156 HG23 VAL 21 HG23 VAL 21 41.119 0.658 2.132 157 H ASN 22 HN ASN 22 42.257 4.707 1.276 158 HA ASN 22 HA ASN 22 42.390 6.968 0.458 159 HB2 ASN 22 HB2 ASN 22 40.827 6.461 -1.506 160 HB3 ASN 22 HB1 ASN 22 39.474 6.796 -0.392 161 HD21 ASN 22 HD21 ASN 22 41.200 8.277 -2.777 162 HD22 ASN 22 HD22 ASN 22 41.174 9.938 -2.175 163 H HIS 23 HN HIS 23 39.600 5.476 2.025 164 HA HIS 23 HA HIS 23 39.986 7.068 4.405 165 HB2 HIS 23 HB2 HIS 23 38.877 8.727 2.800 166 HB3 HIS 23 HB1 HIS 23 37.434 7.688 2.869 167 HD1 HIS 23 HD1 HIS 23 36.916 10.399 3.932 168 HD2 HIS 23 HD2 HIS 23 38.704 7.461 6.350 169 HE1 HIS 23 HE1 HIS 23 36.492 11.053 6.365 170 H TYR 24 HN TYR 24 36.775 6.880 4.462 171 HA TYR 24 HA TYR 24 35.344 5.397 5.546 172 HB2 TYR 24 HB2 TYR 24 36.680 3.312 3.783 173 HB3 TYR 24 HB1 TYR 24 35.020 3.292 4.429 174 HD1 TYR 24 HD1 TYR 24 33.268 4.688 3.460 175 HD2 TYR 24 HD2 TYR 24 37.315 4.870 1.971 176 HE1 TYR 24 HE1 TYR 24 32.477 5.953 1.464 177 HE2 TYR 24 HE2 TYR 24 36.525 6.135 -0.024 178 HH TYR 24 HH TYR 24 33.302 7.479 -0.124 179 H LEU 25 HN LEU 25 38.052 5.795 6.716 180 HA LEU 25 HA LEU 25 37.862 3.681 8.710 181 HB2 LEU 25 HB2 LEU 25 39.200 2.748 6.613 182 HB3 LEU 25 HB1 LEU 25 40.532 3.724 7.268 183 HG LEU 25 HG LEU 25 38.999 1.509 8.708 184 HD11 LEU 25 HD11 LEU 25 41.949 1.742 7.975 185 HD12 LEU 25 HD12 LEU 25 40.749 0.864 6.996 186 HD13 LEU 25 HD13 LEU 25 41.116 0.323 8.651 187 HD21 LEU 25 HD21 LEU 25 39.487 3.135 10.393 188 HD22 LEU 25 HD22 LEU 25 41.074 3.517 9.679 189 HD23 LEU 25 HD23 LEU 25 40.815 1.958 10.497 Start of MODEL 82 1 H1 GLY 1 HT1 GLY 1 64.473 7.540 -8.596 2 H2 GLY 1 HT2 GLY 1 65.267 8.371 -9.847 3 H3 GLY 1 HT3 GLY 1 64.260 9.212 -8.767 4 HA2 GLY 1 HA1 GLY 1 66.261 7.763 -7.403 5 HA3 GLY 1 HA2 GLY 1 66.950 8.881 -8.596 6 H TRP 2 HN TRP 2 63.895 9.938 -7.656 7 HA TRP 2 HA TRP 2 64.865 12.313 -6.437 8 HB2 TRP 2 HB2 TRP 2 62.158 10.966 -6.081 9 HB3 TRP 2 HB1 TRP 2 62.534 12.669 -5.725 10 HD1 TRP 2 HD1 TRP 2 61.882 10.261 -8.583 11 HE1 TRP 2 HE1 TRP 2 61.686 11.567 -10.823 12 HE3 TRP 2 HE3 TRP 2 63.393 14.877 -6.963 13 HZ2 TRP 2 HZ2 TRP 2 62.133 14.255 -11.753 14 HZ3 TRP 2 HZ3 TRP 2 63.501 16.798 -8.544 15 HH2 TRP 2 HH2 TRP 2 62.874 16.491 -10.935 16 H GLY 3 HN GLY 3 63.627 9.283 -4.984 17 HA2 GLY 3 HA1 GLY 3 63.953 8.409 -2.869 18 HA3 GLY 3 HA2 GLY 3 65.347 9.494 -2.707 19 H SER 4 HN SER 4 62.211 10.844 -3.413 20 HA SER 4 HA SER 4 62.282 12.494 -1.053 21 HB2 SER 4 HB2 SER 4 60.011 11.840 -2.968 22 HB3 SER 4 HB1 SER 4 59.957 13.111 -1.727 23 HG SER 4 HG SER 4 62.206 13.154 -3.318 24 H ILE 5 HN ILE 5 61.949 11.864 0.970 25 HA ILE 5 HA ILE 5 60.715 9.339 1.626 26 HB ILE 5 HB ILE 5 61.032 11.704 3.522 27 HG12 ILE 5 HG12 ILE 5 63.116 9.631 2.684 28 HG13 ILE 5 HG11 ILE 5 63.148 11.357 2.258 29 HG21 ILE 5 HG21 ILE 5 61.147 10.025 5.229 30 HG22 ILE 5 HG22 ILE 5 61.353 8.718 4.038 31 HG23 ILE 5 HG23 ILE 5 59.786 9.549 4.189 32 HD11 ILE 5 HD1 ILE 5 64.579 11.207 4.145 33 HD12 ILE 5 HD2 ILE 5 63.495 10.076 4.988 34 HD13 ILE 5 HD3 ILE 5 63.041 11.791 4.825 35 H PHE 6 HN PHE 6 59.625 12.743 1.971 36 HA PHE 6 HA PHE 6 56.912 11.865 2.731 37 HB2 PHE 6 HB2 PHE 6 57.888 14.657 2.019 38 HB3 PHE 6 HB1 PHE 6 56.432 14.219 2.943 39 HD1 PHE 6 HD1 PHE 6 56.628 13.239 5.227 40 HD2 PHE 6 HD2 PHE 6 60.086 14.631 3.050 41 HE1 PHE 6 HE1 PHE 6 57.959 13.234 7.334 42 HE2 PHE 6 HE2 PHE 6 61.415 14.625 5.157 43 HZ PHE 6 HZ PHE 6 60.332 13.994 7.310 44 H LYS 7 HN LYS 7 58.204 11.252 0.020 45 HA LYS 7 HA LYS 7 57.535 11.190 -2.200 46 HB2 LYS 7 HB2 LYS 7 54.905 11.513 -0.728 47 HB3 LYS 7 HB1 LYS 7 54.944 11.431 -2.505 48 HG2 LYS 7 HG2 LYS 7 54.585 9.199 -1.424 49 HG3 LYS 7 HG1 LYS 7 56.048 9.254 -2.431 50 HD2 LYS 7 HD2 LYS 7 57.483 9.420 -0.521 51 HD3 LYS 7 HD1 LYS 7 56.120 9.780 0.567 52 HE2 LYS 7 HE2 LYS 7 55.221 7.520 0.242 53 HE3 LYS 7 HE1 LYS 7 56.502 7.153 -0.939 54 HZ1 LYS 7 HZ1 LYS 7 58.020 6.875 0.676 55 HZ2 LYS 7 HZ2 LYS 7 56.671 6.611 1.675 56 HZ3 LYS 7 HZ3 LYS 7 57.419 8.136 1.637 57 H HIS 8 HN HIS 8 57.846 13.922 -0.566 58 HA HIS 8 HA HIS 8 57.692 16.191 -1.078 59 HB2 HIS 8 HB2 HIS 8 59.388 15.334 -2.713 60 HB3 HIS 8 HB1 HIS 8 58.086 15.153 -3.910 61 HD1 HIS 8 HD1 HIS 8 59.532 17.892 -1.624 62 HD2 HIS 8 HD2 HIS 8 57.759 17.442 -5.409 63 HE1 HIS 8 HE1 HIS 8 59.482 20.199 -2.721 64 H GLY 9 HN GLY 9 55.180 14.425 -1.359 65 HA2 GLY 9 HA1 GLY 9 53.482 16.588 -2.383 66 HA3 GLY 9 HA2 GLY 9 53.475 15.125 -3.388 67 H ARG 10 HN ARG 10 54.098 13.983 -0.375 68 HA ARG 10 HA ARG 10 52.795 12.892 1.192 69 HB2 ARG 10 HB2 ARG 10 50.598 14.905 0.604 70 HB3 ARG 10 HB1 ARG 10 50.925 14.043 2.121 71 HG2 ARG 10 HG2 ARG 10 52.698 16.169 0.838 72 HG3 ARG 10 HG1 ARG 10 51.701 16.368 2.295 73 HD2 ARG 10 HD2 ARG 10 54.178 14.647 1.930 74 HD3 ARG 10 HD1 ARG 10 53.898 15.946 3.110 75 HE ARG 10 HE ARG 10 51.944 13.964 3.610 76 HH11 ARG 10 HH11 ARG 10 54.226 12.130 2.921 77 HH12 ARG 10 HH12 ARG 10 54.997 11.928 4.458 78 HH21 ARG 10 HH21 ARG 10 53.425 14.664 5.901 79 HH22 ARG 10 HH22 ARG 10 54.544 13.364 6.146 80 H HIS 11 HN HIS 11 52.666 12.224 -1.712 81 HA HIS 11 HA HIS 11 49.888 11.120 -1.853 82 HB2 HIS 11 HB2 HIS 11 50.868 12.352 -3.855 83 HB3 HIS 11 HB1 HIS 11 52.051 11.029 -3.991 84 HD1 HIS 11 HD1 HIS 11 48.436 11.900 -4.556 85 HD2 HIS 11 HD2 HIS 11 50.904 8.499 -4.761 86 HE1 HIS 11 HE1 HIS 11 47.130 10.086 -5.794 87 H ALA 12 HN ALA 12 50.444 9.952 -0.059 88 HA ALA 12 HA ALA 12 50.590 7.208 -0.549 89 HB1 ALA 12 HB1 ALA 12 52.984 8.656 0.341 90 HB2 ALA 12 HB2 ALA 12 52.923 7.583 -1.079 91 HB3 ALA 12 HB3 ALA 12 52.861 6.909 0.562 92 H ALA 13 HN ALA 13 51.428 10.073 1.237 93 HA ALA 13 HA ALA 13 50.704 8.992 3.882 94 HB1 ALA 13 HB1 ALA 13 50.390 11.808 2.690 95 HB2 ALA 13 HB2 ALA 13 51.813 11.277 3.617 96 HB3 ALA 13 HB3 ALA 13 50.221 11.381 4.408 97 H LYS 14 HN LYS 14 50.037 9.054 0.733 98 HA LYS 14 HA LYS 14 46.939 8.999 1.040 99 HB2 LYS 14 HB2 LYS 14 48.278 10.622 -0.475 100 HB3 LYS 14 HB1 LYS 14 48.780 9.129 -1.375 101 HG2 LYS 14 HG2 LYS 14 46.691 8.964 -2.406 102 HG3 LYS 14 HG1 LYS 14 45.795 9.465 -0.951 103 HD2 LYS 14 HD2 LYS 14 46.299 11.812 -1.393 104 HD3 LYS 14 HD1 LYS 14 47.364 11.368 -2.749 105 HE2 LYS 14 HE2 LYS 14 45.075 12.101 -3.489 106 HE3 LYS 14 HE1 LYS 14 45.478 10.442 -3.993 107 HZ1 LYS 14 HZ1 LYS 14 44.000 9.546 -2.538 108 HZ2 LYS 14 HZ2 LYS 14 43.212 11.027 -2.801 109 HZ3 LYS 14 HZ3 LYS 14 44.152 10.798 -1.405 110 H HIS 15 HN HIS 15 46.334 7.765 -1.239 111 HA HIS 15 HA HIS 15 45.802 5.568 -1.860 112 HB2 HIS 15 HB2 HIS 15 47.628 6.449 -3.360 113 HB3 HIS 15 HB1 HIS 15 48.801 5.575 -2.347 114 HD1 HIS 15 HD1 HIS 15 45.831 4.992 -4.670 115 HD2 HIS 15 HD2 HIS 15 48.954 2.827 -2.866 116 HE1 HIS 15 HE1 HIS 15 45.793 2.636 -5.657 117 H ILE 16 HN ILE 16 46.741 5.902 1.009 118 HA ILE 16 HA ILE 16 46.492 3.418 1.889 119 HB ILE 16 HB ILE 16 48.471 2.470 0.854 120 HG12 ILE 16 HG12 ILE 16 49.580 3.180 3.594 121 HG13 ILE 16 HG11 ILE 16 48.113 2.185 3.476 122 HG21 ILE 16 HG21 ILE 16 49.838 5.011 1.856 123 HG22 ILE 16 HG22 ILE 16 49.647 4.519 0.166 124 HG23 ILE 16 HG23 ILE 16 50.737 3.624 1.240 125 HD11 ILE 16 HD1 ILE 16 49.377 0.612 1.948 126 HD12 ILE 16 HD2 ILE 16 50.024 0.698 3.602 127 HD13 ILE 16 HD3 ILE 16 50.850 1.552 2.282 128 H GLY 17 HN GLY 17 48.338 6.152 2.186 129 HA2 GLY 17 HA1 GLY 17 48.144 6.194 5.112 130 HA3 GLY 17 HA2 GLY 17 48.730 7.507 4.076 131 H HIS 18 HN HIS 18 46.242 6.699 2.303 132 HA HIS 18 HA HIS 18 44.381 8.616 3.719 133 HB2 HIS 18 HB2 HIS 18 44.716 8.907 1.275 134 HB3 HIS 18 HB1 HIS 18 44.120 7.256 0.996 135 HD1 HIS 18 HD1 HIS 18 42.289 8.680 3.781 136 HD2 HIS 18 HD2 HIS 18 42.052 9.036 -0.403 137 HE1 HIS 18 HE1 HIS 18 39.966 9.586 3.224 138 H ALA 19 HN ALA 19 44.773 5.250 2.744 139 HA ALA 19 HA ALA 19 42.787 4.425 4.750 140 HB1 ALA 19 HB1 ALA 19 42.173 4.165 1.778 141 HB2 ALA 19 HB2 ALA 19 41.187 4.913 3.064 142 HB3 ALA 19 HB3 ALA 19 41.405 3.150 3.029 143 H ALA 20 HN ALA 20 43.834 3.000 1.663 144 HA ALA 20 HA ALA 20 45.893 1.351 2.867 145 HB1 ALA 20 HB1 ALA 20 44.779 -0.823 2.545 146 HB2 ALA 20 HB2 ALA 20 43.273 0.009 2.090 147 HB3 ALA 20 HB3 ALA 20 43.909 0.162 3.745 148 H VAL 21 HN VAL 21 43.754 2.393 0.386 149 HA VAL 21 HA VAL 21 45.802 1.840 -1.681 150 HB VAL 21 HB VAL 21 42.920 0.879 -2.031 151 HG11 VAL 21 HG11 VAL 21 43.827 1.533 -4.150 152 HG12 VAL 21 HG12 VAL 21 44.020 -0.229 -4.084 153 HG13 VAL 21 HG13 VAL 21 45.416 0.829 -3.777 154 HG21 VAL 21 HG21 VAL 21 45.500 -0.648 -1.461 155 HG22 VAL 21 HG22 VAL 21 44.023 -1.421 -2.083 156 HG23 VAL 21 HG23 VAL 21 44.008 -0.640 -0.490 157 H ASN 22 HN ASN 22 43.256 3.596 -0.242 158 HA ASN 22 HA ASN 22 43.543 6.041 -1.405 159 HB2 ASN 22 HB2 ASN 22 43.279 5.382 -3.682 160 HB3 ASN 22 HB1 ASN 22 41.945 4.270 -3.282 161 HD21 ASN 22 HD21 ASN 22 40.026 5.090 -4.124 162 HD22 ASN 22 HD22 ASN 22 39.576 6.798 -4.104 163 H HIS 23 HN HIS 23 41.146 3.530 -0.763 164 HA HIS 23 HA HIS 23 39.812 5.187 1.229 165 HB2 HIS 23 HB2 HIS 23 37.653 5.391 0.142 166 HB3 HIS 23 HB1 HIS 23 38.892 6.145 -0.887 167 HD1 HIS 23 HD1 HIS 23 36.011 4.607 -1.625 168 HD2 HIS 23 HD2 HIS 23 39.951 3.343 -2.386 169 HE1 HIS 23 HE1 HIS 23 35.918 2.954 -3.571 170 H TYR 24 HN TYR 24 39.303 3.799 2.786 171 HA TYR 24 HA TYR 24 39.158 0.942 2.260 172 HB2 TYR 24 HB2 TYR 24 38.587 0.766 4.649 173 HB3 TYR 24 HB1 TYR 24 39.970 1.864 4.415 174 HD1 TYR 24 HD1 TYR 24 36.288 1.713 5.036 175 HD2 TYR 24 HD2 TYR 24 39.811 4.207 4.964 176 HE1 TYR 24 HE1 TYR 24 35.019 3.537 6.161 177 HE2 TYR 24 HE2 TYR 24 38.540 6.032 6.089 178 HH TYR 24 HH TYR 24 35.747 5.539 7.731 179 H LEU 25 HN LEU 25 37.070 3.374 1.534 180 HA LEU 25 HA LEU 25 34.552 2.322 2.459 181 HB2 LEU 25 HB2 LEU 25 35.033 4.672 1.577 182 HB3 LEU 25 HB1 LEU 25 35.040 3.964 -0.051 183 HG LEU 25 HG LEU 25 32.682 2.967 0.646 184 HD11 LEU 25 HD11 LEU 25 31.455 4.569 2.173 185 HD12 LEU 25 HD12 LEU 25 33.024 5.282 2.611 186 HD13 LEU 25 HD13 LEU 25 32.677 3.582 3.005 187 HD21 LEU 25 HD21 LEU 25 33.092 5.941 0.094 188 HD22 LEU 25 HD22 LEU 25 31.573 5.048 -0.153 189 HD23 LEU 25 HD23 LEU 25 33.009 4.649 -1.127 Start of MODEL 83 1 H1 GLY 1 HT1 GLY 1 67.823 12.624 -6.384 2 H2 GLY 1 HT2 GLY 1 67.405 11.712 -5.013 3 H3 GLY 1 HT3 GLY 1 67.113 13.386 -5.048 4 HA2 GLY 1 HA1 GLY 1 65.925 11.947 -7.210 5 HA3 GLY 1 HA2 GLY 1 65.327 11.485 -5.604 6 H TRP 2 HN TRP 2 66.200 14.438 -7.453 7 HA TRP 2 HA TRP 2 65.158 16.505 -7.543 8 HB2 TRP 2 HB2 TRP 2 62.704 14.765 -7.085 9 HB3 TRP 2 HB1 TRP 2 62.658 16.475 -7.579 10 HD1 TRP 2 HD1 TRP 2 62.884 13.056 -8.962 11 HE1 TRP 2 HE1 TRP 2 63.445 13.092 -11.501 12 HE3 TRP 2 HE3 TRP 2 64.259 17.966 -9.415 13 HZ2 TRP 2 HZ2 TRP 2 64.368 15.014 -13.438 14 HZ3 TRP 2 HZ3 TRP 2 64.977 18.880 -11.617 15 HH2 TRP 2 HH2 TRP 2 65.032 17.410 -13.628 16 H GLY 3 HN GLY 3 63.810 18.130 -6.342 17 HA2 GLY 3 HA1 GLY 3 64.506 17.944 -3.486 18 HA3 GLY 3 HA2 GLY 3 63.836 19.347 -4.340 19 H SER 4 HN SER 4 61.892 16.921 -5.315 20 HA SER 4 HA SER 4 59.690 16.409 -4.779 21 HB2 SER 4 HB2 SER 4 59.327 15.442 -2.635 22 HB3 SER 4 HB1 SER 4 61.038 15.137 -3.004 23 HG SER 4 HG SER 4 61.074 15.992 -1.002 24 H ILE 5 HN ILE 5 58.560 18.222 -5.355 25 HA ILE 5 HA ILE 5 58.488 20.572 -3.604 26 HB ILE 5 HB ILE 5 56.579 19.963 -5.898 27 HG12 ILE 5 HG12 ILE 5 59.412 21.099 -5.995 28 HG13 ILE 5 HG11 ILE 5 58.866 19.560 -6.702 29 HG21 ILE 5 HG21 ILE 5 57.774 22.618 -5.004 30 HG22 ILE 5 HG22 ILE 5 56.282 21.965 -4.287 31 HG23 ILE 5 HG23 ILE 5 56.343 22.337 -6.026 32 HD11 ILE 5 HD1 ILE 5 57.157 20.992 -8.034 33 HD12 ILE 5 HD2 ILE 5 58.865 21.084 -8.528 34 HD13 ILE 5 HD3 ILE 5 58.151 22.388 -7.550 35 H PHE 6 HN PHE 6 56.467 17.731 -4.240 36 HA PHE 6 HA PHE 6 54.958 18.266 -1.757 37 HB2 PHE 6 HB2 PHE 6 53.622 18.287 -4.492 38 HB3 PHE 6 HB1 PHE 6 52.741 18.035 -2.968 39 HD1 PHE 6 HD1 PHE 6 53.265 19.814 -1.057 40 HD2 PHE 6 HD2 PHE 6 53.870 20.508 -5.276 41 HE1 PHE 6 HE1 PHE 6 53.181 22.274 -0.666 42 HE2 PHE 6 HE2 PHE 6 53.784 22.966 -4.882 43 HZ PHE 6 HZ PHE 6 53.489 23.848 -2.572 44 H LYS 7 HN LYS 7 56.343 16.276 -4.091 45 HA LYS 7 HA LYS 7 54.763 13.964 -4.134 46 HB2 LYS 7 HB2 LYS 7 57.005 14.434 -5.308 47 HB3 LYS 7 HB1 LYS 7 57.782 13.909 -3.801 48 HG2 LYS 7 HG2 LYS 7 57.706 11.887 -4.997 49 HG3 LYS 7 HG1 LYS 7 56.212 11.780 -4.044 50 HD2 LYS 7 HD2 LYS 7 54.875 12.503 -5.952 51 HD3 LYS 7 HD1 LYS 7 56.337 12.864 -6.899 52 HE2 LYS 7 HE2 LYS 7 55.215 10.636 -7.429 53 HE3 LYS 7 HE1 LYS 7 56.943 10.542 -7.018 54 HZ1 LYS 7 HZ1 LYS 7 56.381 9.900 -4.791 55 HZ2 LYS 7 HZ2 LYS 7 55.563 8.871 -5.867 56 HZ3 LYS 7 HZ3 LYS 7 54.725 10.121 -5.079 57 H HIS 8 HN HIS 8 57.639 14.201 -2.001 58 HA HIS 8 HA HIS 8 56.393 12.285 -0.132 59 HB2 HIS 8 HB2 HIS 8 59.049 13.773 -0.047 60 HB3 HIS 8 HB1 HIS 8 58.548 12.489 1.080 61 HD1 HIS 8 HD1 HIS 8 58.163 10.058 0.054 62 HD2 HIS 8 HD2 HIS 8 59.967 12.844 -2.532 63 HE1 HIS 8 HE1 HIS 8 59.173 8.747 -1.893 64 H GLY 9 HN GLY 9 54.562 13.901 0.205 65 HA2 GLY 9 HA1 GLY 9 54.759 14.978 2.815 66 HA3 GLY 9 HA2 GLY 9 55.027 16.312 1.676 67 H ARG 10 HN ARG 10 53.225 14.495 -0.184 68 HA ARG 10 HA ARG 10 50.575 14.981 1.072 69 HB2 ARG 10 HB2 ARG 10 51.521 16.369 -1.470 70 HB3 ARG 10 HB1 ARG 10 49.811 16.229 -0.996 71 HG2 ARG 10 HG2 ARG 10 50.424 17.333 1.209 72 HG3 ARG 10 HG1 ARG 10 52.041 17.640 0.530 73 HD2 ARG 10 HD2 ARG 10 50.679 19.622 0.175 74 HD3 ARG 10 HD1 ARG 10 50.933 18.830 -1.398 75 HE ARG 10 HE ARG 10 48.512 17.825 -0.264 76 HH11 ARG 10 HH11 ARG 10 46.584 19.134 -0.293 77 HH12 ARG 10 HH12 ARG 10 46.536 20.460 -1.407 78 HH21 ARG 10 HH21 ARG 10 49.893 20.219 -2.246 79 HH22 ARG 10 HH22 ARG 10 48.410 21.074 -2.513 80 H HIS 11 HN HIS 11 52.349 12.756 0.075 81 HA HIS 11 HA HIS 11 50.202 11.320 -1.332 82 HB2 HIS 11 HB2 HIS 11 51.481 12.442 -3.199 83 HB3 HIS 11 HB1 HIS 11 52.936 11.574 -2.652 84 HD1 HIS 11 HD1 HIS 11 49.513 11.023 -4.207 85 HD2 HIS 11 HD2 HIS 11 52.991 8.831 -3.315 86 HE1 HIS 11 HE1 HIS 11 49.284 8.741 -5.332 87 H ALA 12 HN ALA 12 50.279 9.263 -1.267 88 HA ALA 12 HA ALA 12 50.733 7.165 -0.502 89 HB1 ALA 12 HB1 ALA 12 53.198 8.285 0.565 90 HB2 ALA 12 HB2 ALA 12 53.087 7.828 -1.138 91 HB3 ALA 12 HB3 ALA 12 52.915 6.607 0.146 92 H ALA 13 HN ALA 13 51.611 10.022 1.354 93 HA ALA 13 HA ALA 13 51.053 8.772 3.945 94 HB1 ALA 13 HB1 ALA 13 52.002 10.989 4.153 95 HB2 ALA 13 HB2 ALA 13 50.258 11.253 4.386 96 HB3 ALA 13 HB3 ALA 13 51.012 11.617 2.816 97 H LYS 14 HN LYS 14 50.246 8.854 0.878 98 HA LYS 14 HA LYS 14 47.153 8.779 1.335 99 HB2 LYS 14 HB2 LYS 14 48.376 10.481 -0.234 100 HB3 LYS 14 HB1 LYS 14 48.807 9.022 -1.205 101 HG2 LYS 14 HG2 LYS 14 46.662 8.881 -2.094 102 HG3 LYS 14 HG1 LYS 14 45.870 9.252 -0.546 103 HD2 LYS 14 HD2 LYS 14 46.378 11.660 -0.872 104 HD3 LYS 14 HD1 LYS 14 47.159 11.280 -2.426 105 HE2 LYS 14 HE2 LYS 14 44.274 10.550 -1.784 106 HE3 LYS 14 HE1 LYS 14 44.741 12.059 -2.605 107 HZ1 LYS 14 HZ1 LYS 14 44.940 9.277 -3.553 108 HZ2 LYS 14 HZ2 LYS 14 46.050 10.427 -4.130 109 HZ3 LYS 14 HZ3 LYS 14 44.383 10.656 -4.367 110 H HIS 15 HN HIS 15 46.432 7.571 -0.951 111 HA HIS 15 HA HIS 15 45.937 5.358 -1.566 112 HB2 HIS 15 HB2 HIS 15 47.607 6.329 -3.180 113 HB3 HIS 15 HB1 HIS 15 48.889 5.496 -2.267 114 HD1 HIS 15 HD1 HIS 15 45.693 4.753 -4.245 115 HD2 HIS 15 HD2 HIS 15 49.159 2.790 -2.890 116 HE1 HIS 15 HE1 HIS 15 45.707 2.421 -5.292 117 H ILE 16 HN ILE 16 46.997 5.654 1.236 118 HA ILE 16 HA ILE 16 46.935 3.147 2.066 119 HB ILE 16 HB ILE 16 48.892 2.315 0.919 120 HG12 ILE 16 HG12 ILE 16 50.064 3.049 3.628 121 HG13 ILE 16 HG11 ILE 16 48.685 1.935 3.520 122 HG21 ILE 16 HG21 ILE 16 50.207 4.891 1.893 123 HG22 ILE 16 HG22 ILE 16 49.942 4.424 0.205 124 HG23 ILE 16 HG23 ILE 16 51.124 3.555 1.199 125 HD11 ILE 16 HD1 ILE 16 50.636 0.553 3.535 126 HD12 ILE 16 HD2 ILE 16 51.473 1.573 2.348 127 HD13 ILE 16 HD3 ILE 16 50.090 0.572 1.844 128 H GLY 17 HN GLY 17 48.700 5.937 2.330 129 HA2 GLY 17 HA1 GLY 17 48.633 5.943 5.260 130 HA3 GLY 17 HA2 GLY 17 49.103 7.297 4.216 131 H HIS 18 HN HIS 18 46.602 6.411 2.539 132 HA HIS 18 HA HIS 18 44.718 8.250 3.982 133 HB2 HIS 18 HB2 HIS 18 44.949 8.276 1.455 134 HB3 HIS 18 HB1 HIS 18 44.251 6.643 1.428 135 HD1 HIS 18 HD1 HIS 18 43.262 10.033 1.013 136 HD2 HIS 18 HD2 HIS 18 41.588 6.719 2.973 137 HE1 HIS 18 HE1 HIS 18 40.800 10.562 1.437 138 H ALA 19 HN ALA 19 45.149 4.862 3.045 139 HA ALA 19 HA ALA 19 43.455 3.999 5.297 140 HB1 ALA 19 HB1 ALA 19 41.630 4.364 3.833 141 HB2 ALA 19 HB2 ALA 19 41.957 2.620 3.725 142 HB3 ALA 19 HB3 ALA 19 42.504 3.712 2.423 143 H ALA 20 HN ALA 20 44.284 2.636 2.113 144 HA ALA 20 HA ALA 20 46.513 1.076 3.075 145 HB1 ALA 20 HB1 ALA 20 45.399 -1.166 2.789 146 HB2 ALA 20 HB2 ALA 20 43.832 -0.324 2.770 147 HB3 ALA 20 HB3 ALA 20 44.858 -0.262 4.222 148 H VAL 21 HN VAL 21 44.093 2.069 0.867 149 HA VAL 21 HA VAL 21 45.870 1.465 -1.430 150 HB VAL 21 HB VAL 21 42.931 0.642 -1.522 151 HG11 VAL 21 HG11 VAL 21 43.917 1.151 -3.693 152 HG12 VAL 21 HG12 VAL 21 43.757 -0.613 -3.544 153 HG13 VAL 21 HG13 VAL 21 45.346 0.157 -3.325 154 HG21 VAL 21 HG21 VAL 21 45.409 -1.055 -0.986 155 HG22 VAL 21 HG22 VAL 21 43.829 -1.721 -1.454 156 HG23 VAL 21 HG23 VAL 21 44.001 -0.844 0.082 157 H ASN 22 HN ASN 22 43.460 3.268 0.244 158 HA ASN 22 HA ASN 22 43.712 5.708 -0.972 159 HB2 ASN 22 HB2 ASN 22 43.206 5.037 -3.198 160 HB3 ASN 22 HB1 ASN 22 41.905 3.947 -2.658 161 HD21 ASN 22 HD21 ASN 22 39.890 4.774 -3.205 162 HD22 ASN 22 HD22 ASN 22 39.479 6.493 -3.207 163 H HIS 23 HN HIS 23 41.291 3.284 -0.068 164 HA HIS 23 HA HIS 23 40.259 4.992 2.052 165 HB2 HIS 23 HB2 HIS 23 39.172 6.001 0.030 166 HB3 HIS 23 HB1 HIS 23 38.406 4.426 -0.289 167 HD1 HIS 23 HD1 HIS 23 36.213 4.007 0.833 168 HD2 HIS 23 HD2 HIS 23 38.393 7.079 2.701 169 HE1 HIS 23 HE1 HIS 23 34.746 4.959 2.695 170 H TYR 24 HN TYR 24 41.187 2.153 1.080 171 HA TYR 24 HA TYR 24 38.889 0.471 1.788 172 HB2 TYR 24 HB2 TYR 24 40.645 -0.248 0.178 173 HB3 TYR 24 HB1 TYR 24 41.837 -0.237 1.498 174 HD1 TYR 24 HD1 TYR 24 42.156 -2.221 2.758 175 HD2 TYR 24 HD2 TYR 24 38.443 -1.636 0.631 176 HE1 TYR 24 HE1 TYR 24 41.425 -4.512 3.403 177 HE2 TYR 24 HE2 TYR 24 37.714 -3.927 1.278 178 HH TYR 24 HH TYR 24 38.811 -6.088 1.941 179 H LEU 25 HN LEU 25 39.341 2.353 3.809 180 HA LEU 25 HA LEU 25 41.003 1.688 5.931 181 HB2 LEU 25 HB2 LEU 25 38.938 2.448 7.401 182 HB3 LEU 25 HB1 LEU 25 39.706 3.604 6.291 183 HG LEU 25 HG LEU 25 37.986 3.229 4.610 184 HD11 LEU 25 HD11 LEU 25 37.488 0.893 4.809 185 HD12 LEU 25 HD12 LEU 25 35.992 1.735 5.272 186 HD13 LEU 25 HD13 LEU 25 37.054 1.057 6.528 187 HD21 LEU 25 HD21 LEU 25 37.554 4.806 6.536 188 HD22 LEU 25 HD22 LEU 25 36.656 3.494 7.339 189 HD23 LEU 25 HD23 LEU 25 36.076 4.155 5.790 Start of MODEL 84 1 H1 GLY 1 HT1 GLY 1 65.808 7.085 -6.119 2 H2 GLY 1 HT2 GLY 1 65.449 5.896 -4.959 3 H3 GLY 1 HT3 GLY 1 66.899 6.776 -4.859 4 HA2 GLY 1 HA1 GLY 1 64.154 7.655 -4.339 5 HA3 GLY 1 HA2 GLY 1 65.566 7.715 -3.267 6 H TRP 2 HN TRP 2 64.024 9.951 -3.602 7 HA TRP 2 HA TRP 2 66.014 11.805 -4.728 8 HB2 TRP 2 HB2 TRP 2 63.228 11.582 -5.938 9 HB3 TRP 2 HB1 TRP 2 64.350 12.934 -6.219 10 HD1 TRP 2 HD1 TRP 2 63.389 9.705 -7.634 11 HE1 TRP 2 HE1 TRP 2 65.160 8.807 -9.313 12 HE3 TRP 2 HE3 TRP 2 67.268 12.835 -6.466 13 HZ2 TRP 2 HZ2 TRP 2 67.888 9.393 -10.027 14 HZ3 TRP 2 HZ3 TRP 2 69.445 12.648 -7.658 15 HH2 TRP 2 HH2 TRP 2 69.758 10.932 -9.437 16 H GLY 3 HN GLY 3 65.255 14.119 -4.449 17 HA2 GLY 3 HA1 GLY 3 64.261 14.389 -1.726 18 HA3 GLY 3 HA2 GLY 3 64.721 15.700 -2.829 19 H SER 4 HN SER 4 62.725 14.026 -4.707 20 HA SER 4 HA SER 4 60.559 14.453 -5.429 21 HB2 SER 4 HB2 SER 4 58.819 14.067 -3.818 22 HB3 SER 4 HB1 SER 4 60.189 13.031 -3.359 23 HG SER 4 HG SER 4 59.066 14.490 -1.715 24 H ILE 5 HN ILE 5 58.433 15.883 -4.336 25 HA ILE 5 HA ILE 5 59.301 18.552 -3.544 26 HB ILE 5 HB ILE 5 59.900 18.609 -5.965 27 HG12 ILE 5 HG12 ILE 5 57.407 20.272 -5.375 28 HG13 ILE 5 HG11 ILE 5 59.009 20.627 -4.693 29 HG21 ILE 5 HG21 ILE 5 58.225 18.337 -7.677 30 HG22 ILE 5 HG22 ILE 5 56.918 18.242 -6.472 31 HG23 ILE 5 HG23 ILE 5 58.104 16.923 -6.607 32 HD11 ILE 5 HD1 ILE 5 59.861 20.633 -7.140 33 HD12 ILE 5 HD2 ILE 5 58.848 22.003 -6.632 34 HD13 ILE 5 HD3 ILE 5 58.144 20.693 -7.607 35 H PHE 6 HN PHE 6 56.974 16.143 -4.363 36 HA PHE 6 HA PHE 6 54.984 17.437 -2.662 37 HB2 PHE 6 HB2 PHE 6 53.317 17.971 -4.220 38 HB3 PHE 6 HB1 PHE 6 54.792 18.501 -5.054 39 HD1 PHE 6 HD1 PHE 6 55.964 16.033 -6.120 40 HD2 PHE 6 HD2 PHE 6 51.804 17.170 -5.851 41 HE1 PHE 6 HE1 PHE 6 55.428 14.527 -8.023 42 HE2 PHE 6 HE2 PHE 6 51.275 15.661 -7.757 43 HZ PHE 6 HZ PHE 6 53.075 14.294 -8.802 44 H LYS 7 HN LYS 7 56.140 14.854 -4.694 45 HA LYS 7 HA LYS 7 54.016 12.984 -4.342 46 HB2 LYS 7 HB2 LYS 7 55.912 12.715 -5.936 47 HB3 LYS 7 HB1 LYS 7 57.003 12.435 -4.557 48 HG2 LYS 7 HG2 LYS 7 55.897 10.403 -3.953 49 HG3 LYS 7 HG1 LYS 7 54.498 10.759 -4.996 50 HD2 LYS 7 HD2 LYS 7 55.934 9.072 -6.066 51 HD3 LYS 7 HD1 LYS 7 55.972 10.585 -7.001 52 HE2 LYS 7 HE2 LYS 7 58.138 11.162 -6.188 53 HE3 LYS 7 HE1 LYS 7 58.053 9.967 -4.870 54 HZ1 LYS 7 HZ1 LYS 7 59.005 9.626 -7.499 55 HZ2 LYS 7 HZ2 LYS 7 57.663 8.609 -7.277 56 HZ3 LYS 7 HZ3 LYS 7 58.992 8.507 -6.223 57 H HIS 8 HN HIS 8 57.143 13.166 -2.571 58 HA HIS 8 HA HIS 8 56.119 11.401 -0.462 59 HB2 HIS 8 HB2 HIS 8 58.503 11.406 -1.170 60 HB3 HIS 8 HB1 HIS 8 58.660 13.076 -0.574 61 HD1 HIS 8 HD1 HIS 8 56.354 11.316 1.598 62 HD2 HIS 8 HD2 HIS 8 60.540 11.598 1.291 63 HE1 HIS 8 HE1 HIS 8 57.338 10.503 3.812 64 H GLY 9 HN GLY 9 54.349 13.477 -0.643 65 HA2 GLY 9 HA1 GLY 9 54.480 14.546 2.052 66 HA3 GLY 9 HA2 GLY 9 54.788 15.797 0.831 67 H ARG 10 HN ARG 10 52.993 14.123 -1.043 68 HA ARG 10 HA ARG 10 50.327 14.728 0.193 69 HB2 ARG 10 HB2 ARG 10 51.177 15.663 -2.580 70 HB3 ARG 10 HB1 ARG 10 49.597 15.921 -1.801 71 HG2 ARG 10 HG2 ARG 10 50.738 17.201 0.020 72 HG3 ARG 10 HG1 ARG 10 52.281 17.009 -0.848 73 HD2 ARG 10 HD2 ARG 10 51.318 19.190 -1.401 74 HD3 ARG 10 HD1 ARG 10 51.254 18.142 -2.838 75 HE ARG 10 HE ARG 10 48.796 17.784 -1.518 76 HH11 ARG 10 HH11 ARG 10 47.534 19.836 -0.987 77 HH12 ARG 10 HH12 ARG 10 47.505 20.989 -2.279 78 HH21 ARG 10 HH21 ARG 10 50.099 19.491 -4.028 79 HH22 ARG 10 HH22 ARG 10 48.957 20.794 -4.000 80 H HIS 11 HN HIS 11 52.143 12.385 -0.748 81 HA HIS 11 HA HIS 11 49.900 10.828 -1.829 82 HB2 HIS 11 HB2 HIS 11 52.426 11.275 -3.474 83 HB3 HIS 11 HB1 HIS 11 51.229 9.996 -3.792 84 HD1 HIS 11 HD1 HIS 11 51.622 13.787 -3.751 85 HD2 HIS 11 HD2 HIS 11 48.834 10.894 -4.993 86 HE1 HIS 11 HE1 HIS 11 49.866 14.982 -5.173 87 H ALA 12 HN ALA 12 50.016 8.787 -1.620 88 HA ALA 12 HA ALA 12 50.599 6.748 -0.778 89 HB1 ALA 12 HB1 ALA 12 52.851 6.256 -0.371 90 HB2 ALA 12 HB2 ALA 12 53.154 7.970 -0.101 91 HB3 ALA 12 HB3 ALA 12 52.851 7.389 -1.740 92 H ALA 13 HN ALA 13 51.645 9.738 0.753 93 HA ALA 13 HA ALA 13 51.428 8.672 3.473 94 HB1 ALA 13 HB1 ALA 13 52.340 10.901 3.452 95 HB2 ALA 13 HB2 ALA 13 50.617 11.184 3.800 96 HB3 ALA 13 HB3 ALA 13 51.243 11.423 2.150 97 H LYS 14 HN LYS 14 50.253 8.529 0.528 98 HA LYS 14 HA LYS 14 47.242 8.457 1.365 99 HB2 LYS 14 HB2 LYS 14 48.238 10.044 -0.466 100 HB3 LYS 14 HB1 LYS 14 48.561 8.521 -1.376 101 HG2 LYS 14 HG2 LYS 14 46.324 8.316 -1.981 102 HG3 LYS 14 HG1 LYS 14 45.727 8.762 -0.368 103 HD2 LYS 14 HD2 LYS 14 44.962 10.449 -1.907 104 HD3 LYS 14 HD1 LYS 14 46.262 11.186 -0.945 105 HE2 LYS 14 HE2 LYS 14 46.798 11.816 -3.164 106 HE3 LYS 14 HE1 LYS 14 47.834 10.397 -2.894 107 HZ1 LYS 14 HZ1 LYS 14 45.828 9.108 -3.831 108 HZ2 LYS 14 HZ2 LYS 14 46.834 9.949 -4.912 109 HZ3 LYS 14 HZ3 LYS 14 45.335 10.607 -4.455 110 H HIS 15 HN HIS 15 46.263 7.074 -0.718 111 HA HIS 15 HA HIS 15 45.736 4.814 -1.100 112 HB2 HIS 15 HB2 HIS 15 48.572 4.977 -2.176 113 HB3 HIS 15 HB1 HIS 15 47.280 3.883 -2.726 114 HD1 HIS 15 HD1 HIS 15 48.882 6.718 -3.936 115 HD2 HIS 15 HD2 HIS 15 44.819 5.938 -3.179 116 HE1 HIS 15 HE1 HIS 15 47.516 8.316 -5.388 117 H ILE 16 HN ILE 16 47.135 5.333 1.519 118 HA ILE 16 HA ILE 16 47.226 2.891 2.532 119 HB ILE 16 HB ILE 16 49.034 1.996 1.205 120 HG12 ILE 16 HG12 ILE 16 50.543 2.934 3.672 121 HG13 ILE 16 HG11 ILE 16 49.171 1.819 3.838 122 HG21 ILE 16 HG21 ILE 16 49.945 4.056 0.208 123 HG22 ILE 16 HG22 ILE 16 51.260 3.270 1.098 124 HG23 ILE 16 HG23 ILE 16 50.421 4.646 1.810 125 HD11 ILE 16 HD1 ILE 16 50.339 0.315 2.116 126 HD12 ILE 16 HD2 ILE 16 51.136 0.451 3.697 127 HD13 ILE 16 HD3 ILE 16 51.767 1.359 2.308 128 H GLY 17 HN GLY 17 48.971 5.702 2.362 129 HA2 GLY 17 HA1 GLY 17 49.276 5.930 5.264 130 HA3 GLY 17 HA2 GLY 17 49.585 7.205 4.072 131 H HIS 18 HN HIS 18 46.903 6.179 2.800 132 HA HIS 18 HA HIS 18 45.192 8.107 4.330 133 HB2 HIS 18 HB2 HIS 18 45.096 7.894 1.788 134 HB3 HIS 18 HB1 HIS 18 44.390 6.282 2.018 135 HD1 HIS 18 HD1 HIS 18 43.365 9.613 1.372 136 HD2 HIS 18 HD2 HIS 18 41.986 6.600 3.952 137 HE1 HIS 18 HE1 HIS 18 40.991 10.240 2.076 138 H ALA 19 HN ALA 19 45.539 4.657 3.595 139 HA ALA 19 HA ALA 19 44.220 3.957 6.137 140 HB1 ALA 19 HB1 ALA 19 42.187 4.221 4.949 141 HB2 ALA 19 HB2 ALA 19 42.509 2.473 4.917 142 HB3 ALA 19 HB3 ALA 19 42.838 3.467 3.470 143 H ALA 20 HN ALA 20 44.602 2.410 2.949 144 HA ALA 20 HA ALA 20 46.931 0.879 3.720 145 HB1 ALA 20 HB1 ALA 20 45.950 -1.313 3.895 146 HB2 ALA 20 HB2 ALA 20 44.330 -0.680 3.520 147 HB3 ALA 20 HB3 ALA 20 45.114 -0.264 5.063 148 H VAL 21 HN VAL 21 44.297 1.814 1.742 149 HA VAL 21 HA VAL 21 45.823 1.119 -0.703 150 HB VAL 21 HB VAL 21 42.933 0.192 -0.337 151 HG11 VAL 21 HG11 VAL 21 44.956 0.007 -2.609 152 HG12 VAL 21 HG12 VAL 21 43.357 0.788 -2.633 153 HG13 VAL 21 HG13 VAL 21 43.478 -0.982 -2.545 154 HG21 VAL 21 HG21 VAL 21 43.994 -2.118 -0.570 155 HG22 VAL 21 HG22 VAL 21 44.349 -1.286 0.957 156 HG23 VAL 21 HG23 VAL 21 45.573 -1.336 -0.334 157 H ASN 22 HN ASN 22 43.497 2.927 1.117 158 HA ASN 22 HA ASN 22 43.606 5.306 -0.292 159 HB2 ASN 22 HB2 ASN 22 42.794 4.442 -2.359 160 HB3 ASN 22 HB1 ASN 22 41.590 3.414 -1.547 161 HD21 ASN 22 HD21 ASN 22 42.410 6.825 -2.381 162 HD22 ASN 22 HD22 ASN 22 40.750 7.413 -2.250 163 H HIS 23 HN HIS 23 41.364 2.959 1.149 164 HA HIS 23 HA HIS 23 40.661 4.768 3.289 165 HB2 HIS 23 HB2 HIS 23 39.368 5.811 1.417 166 HB3 HIS 23 HB1 HIS 23 38.495 4.274 1.218 167 HD1 HIS 23 HD1 HIS 23 36.481 3.909 2.668 168 HD2 HIS 23 HD2 HIS 23 39.032 6.878 4.209 169 HE1 HIS 23 HE1 HIS 23 35.301 4.961 4.676 170 H TYR 24 HN TYR 24 41.562 2.010 2.843 171 HA TYR 24 HA TYR 24 39.563 0.062 3.076 172 HB2 TYR 24 HB2 TYR 24 42.018 -0.379 2.956 173 HB3 TYR 24 HB1 TYR 24 42.165 0.137 4.652 174 HD1 TYR 24 HD1 TYR 24 40.355 -2.287 2.420 175 HD2 TYR 24 HD2 TYR 24 41.734 -1.407 6.415 176 HE1 TYR 24 HE1 TYR 24 39.673 -4.567 3.160 177 HE2 TYR 24 HE2 TYR 24 41.053 -3.687 7.153 178 HH TYR 24 HH TYR 24 40.652 -6.083 5.734 179 H LEU 25 HN LEU 25 40.224 2.663 5.191 180 HA LEU 25 HA LEU 25 39.426 3.206 7.296 181 HB2 LEU 25 HB2 LEU 25 37.288 2.817 5.935 182 HB3 LEU 25 HB1 LEU 25 37.205 1.219 6.707 183 HG LEU 25 HG LEU 25 37.451 2.570 8.970 184 HD11 LEU 25 HD11 LEU 25 36.518 4.729 7.019 185 HD12 LEU 25 HD12 LEU 25 37.931 4.785 8.097 186 HD13 LEU 25 HD13 LEU 25 36.293 4.829 8.778 187 HD21 LEU 25 HD21 LEU 25 34.901 2.685 7.293 188 HD22 LEU 25 HD22 LEU 25 34.982 2.865 9.063 189 HD23 LEU 25 HD23 LEU 25 35.428 1.318 8.302 Start of MODEL 85 1 H1 GLY 1 HT1 GLY 1 68.437 21.359 -2.285 2 H2 GLY 1 HT2 GLY 1 67.331 20.517 -3.263 3 H3 GLY 1 HT3 GLY 1 68.117 19.721 -1.984 4 HA2 GLY 1 HA1 GLY 1 66.894 21.920 -0.888 5 HA3 GLY 1 HA2 GLY 1 65.722 21.169 -1.989 6 H TRP 2 HN TRP 2 65.648 18.688 -1.831 7 HA TRP 2 HA TRP 2 66.277 17.607 0.840 8 HB2 TRP 2 HB2 TRP 2 63.399 18.083 -0.038 9 HB3 TRP 2 HB1 TRP 2 63.878 17.022 1.308 10 HD1 TRP 2 HD1 TRP 2 64.971 18.170 3.457 11 HE1 TRP 2 HE1 TRP 2 64.853 20.589 4.404 12 HE3 TRP 2 HE3 TRP 2 63.236 20.585 -0.710 13 HZ2 TRP 2 HZ2 TRP 2 64.100 23.200 3.452 14 HZ3 TRP 2 HZ3 TRP 2 62.824 23.040 -0.667 15 HH2 TRP 2 HH2 TRP 2 63.254 24.349 1.408 16 H GLY 3 HN GLY 3 63.524 16.648 -1.168 17 HA2 GLY 3 HA1 GLY 3 64.803 14.867 -2.928 18 HA3 GLY 3 HA2 GLY 3 64.536 13.966 -1.423 19 H SER 4 HN SER 4 62.213 16.391 -1.776 20 HA SER 4 HA SER 4 60.401 14.971 -3.565 21 HB2 SER 4 HB2 SER 4 59.899 14.817 -0.568 22 HB3 SER 4 HB1 SER 4 58.719 14.386 -1.825 23 HG SER 4 HG SER 4 60.640 13.016 -2.589 24 H ILE 5 HN ILE 5 59.286 16.537 -4.501 25 HA ILE 5 HA ILE 5 59.119 19.183 -3.272 26 HB ILE 5 HB ILE 5 59.328 18.723 -5.774 27 HG12 ILE 5 HG12 ILE 5 57.039 20.447 -4.732 28 HG13 ILE 5 HG11 ILE 5 58.730 20.939 -4.953 29 HG21 ILE 5 HG21 ILE 5 56.327 18.238 -5.646 30 HG22 ILE 5 HG22 ILE 5 57.502 16.901 -5.681 31 HG23 ILE 5 HG23 ILE 5 57.418 18.049 -7.039 32 HD11 ILE 5 HD1 ILE 5 56.662 20.291 -7.083 33 HD12 ILE 5 HD2 ILE 5 58.406 20.304 -7.445 34 HD13 ILE 5 HD3 ILE 5 57.603 21.786 -6.872 35 H PHE 6 HN PHE 6 56.887 16.475 -3.905 36 HA PHE 6 HA PHE 6 55.167 17.327 -1.706 37 HB2 PHE 6 HB2 PHE 6 54.253 17.683 -4.584 38 HB3 PHE 6 HB1 PHE 6 53.090 17.404 -3.269 39 HD1 PHE 6 HD1 PHE 6 53.557 18.921 -1.074 40 HD2 PHE 6 HD2 PHE 6 54.741 19.937 -5.103 41 HE1 PHE 6 HE1 PHE 6 53.653 21.326 -0.443 42 HE2 PHE 6 HE2 PHE 6 54.837 22.341 -4.466 43 HZ PHE 6 HZ PHE 6 54.281 23.038 -2.141 44 H LYS 7 HN LYS 7 56.677 15.055 -3.407 45 HA LYS 7 HA LYS 7 54.748 13.034 -3.939 46 HB2 LYS 7 HB2 LYS 7 57.539 12.535 -2.842 47 HB3 LYS 7 HB1 LYS 7 56.572 11.476 -3.893 48 HG2 LYS 7 HG2 LYS 7 57.683 14.219 -4.648 49 HG3 LYS 7 HG1 LYS 7 58.308 12.647 -5.199 50 HD2 LYS 7 HD2 LYS 7 55.891 12.227 -6.092 51 HD3 LYS 7 HD1 LYS 7 55.660 13.979 -5.879 52 HE2 LYS 7 HE2 LYS 7 57.709 12.579 -7.643 53 HE3 LYS 7 HE1 LYS 7 56.379 13.646 -8.155 54 HZ1 LYS 7 HZ1 LYS 7 57.453 15.507 -7.341 55 HZ2 LYS 7 HZ2 LYS 7 58.750 14.601 -7.959 56 HZ3 LYS 7 HZ3 LYS 7 58.448 14.628 -6.287 57 H HIS 8 HN HIS 8 56.989 12.914 -1.142 58 HA HIS 8 HA HIS 8 55.040 11.306 0.357 59 HB2 HIS 8 HB2 HIS 8 57.548 10.990 0.456 60 HB3 HIS 8 HB1 HIS 8 57.648 12.538 1.331 61 HD1 HIS 8 HD1 HIS 8 57.936 12.061 3.761 62 HD2 HIS 8 HD2 HIS 8 55.132 9.492 1.969 63 HE1 HIS 8 HE1 HIS 8 57.000 10.555 5.600 64 H GLY 9 HN GLY 9 53.902 13.763 -0.320 65 HA2 GLY 9 HA1 GLY 9 53.208 14.731 2.349 66 HA3 GLY 9 HA2 GLY 9 54.126 15.914 1.396 67 H ARG 10 HN ARG 10 52.239 13.763 -0.485 68 HA ARG 10 HA ARG 10 49.737 15.215 -0.342 69 HB2 ARG 10 HB2 ARG 10 51.270 16.877 -1.515 70 HB3 ARG 10 HB1 ARG 10 51.396 15.702 -2.845 71 HG2 ARG 10 HG2 ARG 10 49.049 15.845 -3.328 72 HG3 ARG 10 HG1 ARG 10 48.711 16.710 -1.812 73 HD2 ARG 10 HD2 ARG 10 50.526 17.825 -3.988 74 HD3 ARG 10 HD1 ARG 10 48.781 18.166 -3.907 75 HE ARG 10 HE ARG 10 49.885 18.754 -1.355 76 HH11 ARG 10 HH11 ARG 10 48.555 20.978 -1.848 77 HH12 ARG 10 HH12 ARG 10 49.586 22.097 -2.676 78 HH21 ARG 10 HH21 ARG 10 51.883 19.683 -3.632 79 HH22 ARG 10 HH22 ARG 10 51.469 21.364 -3.686 80 H HIS 11 HN HIS 11 51.690 12.679 -1.153 81 HA HIS 11 HA HIS 11 49.447 11.127 -2.142 82 HB2 HIS 11 HB2 HIS 11 50.141 12.304 -4.253 83 HB3 HIS 11 HB1 HIS 11 51.755 11.571 -4.076 84 HD1 HIS 11 HD1 HIS 11 51.988 9.561 -5.520 85 HD2 HIS 11 HD2 HIS 11 48.126 9.879 -3.889 86 HE1 HIS 11 HE1 HIS 11 50.639 7.561 -6.359 87 H ALA 12 HN ALA 12 49.641 9.096 -2.021 88 HA ALA 12 HA ALA 12 50.383 7.039 -1.375 89 HB1 ALA 12 HB1 ALA 12 52.411 7.778 -2.700 90 HB2 ALA 12 HB2 ALA 12 52.684 6.581 -1.409 91 HB3 ALA 12 HB3 ALA 12 52.999 8.295 -1.129 92 H ALA 13 HN ALA 13 51.697 9.961 0.099 93 HA ALA 13 HA ALA 13 51.978 8.747 2.749 94 HB1 ALA 13 HB1 ALA 13 51.503 11.570 1.661 95 HB2 ALA 13 HB2 ALA 13 52.885 10.991 2.622 96 HB3 ALA 13 HB3 ALA 13 51.295 11.211 3.391 97 H LYS 14 HN LYS 14 50.273 8.792 0.058 98 HA LYS 14 HA LYS 14 47.465 8.656 1.426 99 HB2 LYS 14 HB2 LYS 14 48.120 10.309 -0.494 100 HB3 LYS 14 HB1 LYS 14 48.269 8.818 -1.499 101 HG2 LYS 14 HG2 LYS 14 45.956 8.597 -1.667 102 HG3 LYS 14 HG1 LYS 14 45.665 9.085 0.019 103 HD2 LYS 14 HD2 LYS 14 45.937 11.447 -0.584 104 HD3 LYS 14 HD1 LYS 14 46.358 10.999 -2.255 105 HE2 LYS 14 HE2 LYS 14 44.115 9.909 -2.488 106 HE3 LYS 14 HE1 LYS 14 43.698 10.482 -0.856 107 HZ1 LYS 14 HZ1 LYS 14 43.779 11.925 -3.344 108 HZ2 LYS 14 HZ2 LYS 14 44.627 12.713 -2.101 109 HZ3 LYS 14 HZ3 LYS 14 42.990 12.311 -1.893 110 H HIS 15 HN HIS 15 46.110 7.378 -0.445 111 HA HIS 15 HA HIS 15 45.471 5.157 -0.825 112 HB2 HIS 15 HB2 HIS 15 46.530 6.050 -2.910 113 HB3 HIS 15 HB1 HIS 15 48.061 5.294 -2.408 114 HD1 HIS 15 HD1 HIS 15 48.420 2.958 -3.201 115 HD2 HIS 15 HD2 HIS 15 44.348 3.997 -3.137 116 HE1 HIS 15 HE1 HIS 15 47.111 0.964 -4.115 117 H ILE 16 HN ILE 16 47.459 5.574 1.447 118 HA ILE 16 HA ILE 16 47.641 3.067 2.358 119 HB ILE 16 HB ILE 16 49.108 2.235 0.671 120 HG12 ILE 16 HG12 ILE 16 51.219 1.751 1.834 121 HG13 ILE 16 HG11 ILE 16 50.883 3.025 3.023 122 HG21 ILE 16 HG21 ILE 16 49.846 4.305 -0.407 123 HG22 ILE 16 HG22 ILE 16 51.299 3.461 0.170 124 HG23 ILE 16 HG23 ILE 16 50.653 4.825 1.084 125 HD11 ILE 16 HD1 ILE 16 48.970 1.833 3.882 126 HD12 ILE 16 HD2 ILE 16 50.280 0.639 3.739 127 HD13 ILE 16 HD3 ILE 16 48.989 0.694 2.517 128 H GLY 17 HN GLY 17 49.421 5.838 1.992 129 HA2 GLY 17 HA1 GLY 17 50.224 5.929 4.807 130 HA3 GLY 17 HA2 GLY 17 50.365 7.252 3.634 131 H HIS 18 HN HIS 18 47.460 6.341 2.841 132 HA HIS 18 HA HIS 18 46.129 8.164 4.852 133 HB2 HIS 18 HB2 HIS 18 45.606 7.342 2.009 134 HB3 HIS 18 HB1 HIS 18 44.163 7.574 3.017 135 HD1 HIS 18 HD1 HIS 18 47.285 9.627 3.625 136 HD2 HIS 18 HD2 HIS 18 43.481 10.075 1.895 137 HE1 HIS 18 HE1 HIS 18 46.965 12.110 3.122 138 H ALA 19 HN ALA 19 45.834 4.868 3.388 139 HA ALA 19 HA ALA 19 45.157 3.506 5.724 140 HB1 ALA 19 HB1 ALA 19 42.788 5.003 4.599 141 HB2 ALA 19 HB2 ALA 19 43.205 4.659 6.296 142 HB3 ALA 19 HB3 ALA 19 42.521 3.378 5.275 143 H ALA 20 HN ALA 20 45.876 3.620 2.633 144 HA ALA 20 HA ALA 20 45.902 2.062 0.910 145 HB1 ALA 20 HB1 ALA 20 44.977 0.013 2.948 146 HB2 ALA 20 HB2 ALA 20 46.648 0.621 2.894 147 HB3 ALA 20 HB3 ALA 20 45.970 -0.244 1.493 148 H VAL 21 HN VAL 21 43.323 3.295 2.239 149 HA VAL 21 HA VAL 21 41.452 2.090 0.261 150 HB VAL 21 HB VAL 21 40.818 2.337 3.238 151 HG11 VAL 21 HG11 VAL 21 39.159 1.663 0.776 152 HG12 VAL 21 HG12 VAL 21 38.795 2.810 2.089 153 HG13 VAL 21 HG13 VAL 21 38.685 1.064 2.383 154 HG21 VAL 21 HG21 VAL 21 40.532 -0.189 3.037 155 HG22 VAL 21 HG22 VAL 21 42.205 0.380 2.860 156 HG23 VAL 21 HG23 VAL 21 41.266 -0.074 1.419 157 H ASN 22 HN ASN 22 42.857 4.596 1.959 158 HA ASN 22 HA ASN 22 42.636 6.895 1.355 159 HB2 ASN 22 HB2 ASN 22 39.651 6.498 0.966 160 HB3 ASN 22 HB1 ASN 22 40.638 7.905 0.529 161 HD21 ASN 22 HD21 ASN 22 42.920 6.404 -0.562 162 HD22 ASN 22 HD22 ASN 22 42.361 5.688 -2.077 163 H HIS 23 HN HIS 23 40.268 5.102 3.257 164 HA HIS 23 HA HIS 23 40.905 6.661 5.622 165 HB2 HIS 23 HB2 HIS 23 39.452 8.315 4.556 166 HB3 HIS 23 HB1 HIS 23 38.183 7.090 4.321 167 HD1 HIS 23 HD1 HIS 23 40.158 8.754 7.169 168 HD2 HIS 23 HD2 HIS 23 36.436 6.930 6.460 169 HE1 HIS 23 HE1 HIS 23 38.789 8.958 9.316 170 H TYR 24 HN TYR 24 37.597 5.771 5.437 171 HA TYR 24 HA TYR 24 36.400 4.006 6.311 172 HB2 TYR 24 HB2 TYR 24 37.898 2.708 4.653 173 HB3 TYR 24 HB1 TYR 24 38.872 2.252 6.069 174 HD1 TYR 24 HD1 TYR 24 37.924 0.835 7.858 175 HD2 TYR 24 HD2 TYR 24 35.630 1.852 4.348 176 HE1 TYR 24 HE1 TYR 24 36.287 -0.960 8.409 177 HE2 TYR 24 HE2 TYR 24 33.993 0.057 4.897 178 HH TYR 24 HH TYR 24 34.353 -2.351 6.567 179 H LEU 25 HN LEU 25 39.176 5.269 7.737 180 HA LEU 25 HA LEU 25 38.201 4.744 10.388 181 HB2 LEU 25 HB2 LEU 25 40.332 3.414 11.098 182 HB3 LEU 25 HB1 LEU 25 39.007 2.531 10.310 183 HG LEU 25 HG LEU 25 40.184 2.697 8.130 184 HD11 LEU 25 HD11 LEU 25 41.480 4.679 8.221 185 HD12 LEU 25 HD12 LEU 25 42.703 3.398 8.347 186 HD13 LEU 25 HD13 LEU 25 42.175 4.270 9.807 187 HD21 LEU 25 HD21 LEU 25 42.020 1.639 10.321 188 HD22 LEU 25 HD22 LEU 25 41.918 1.074 8.636 189 HD23 LEU 25 HD23 LEU 25 40.560 0.795 9.754 Start of MODEL 86 1 H1 GLY 1 HT1 GLY 1 69.566 20.786 -1.377 2 H2 GLY 1 HT2 GLY 1 68.352 19.959 -0.524 3 H3 GLY 1 HT3 GLY 1 67.994 21.417 -1.319 4 HA2 GLY 1 HA1 GLY 1 67.688 20.469 -3.248 5 HA3 GLY 1 HA2 GLY 1 69.131 19.458 -3.037 6 H TRP 2 HN TRP 2 65.899 19.841 -1.506 7 HA TRP 2 HA TRP 2 65.751 17.037 -0.801 8 HB2 TRP 2 HB2 TRP 2 63.631 19.210 -1.013 9 HB3 TRP 2 HB1 TRP 2 63.325 17.577 -0.375 10 HD1 TRP 2 HD1 TRP 2 65.704 20.568 0.290 11 HE1 TRP 2 HE1 TRP 2 66.240 20.671 2.832 12 HE3 TRP 2 HE3 TRP 2 63.191 16.378 1.812 13 HZ2 TRP 2 HZ2 TRP 2 65.641 19.123 5.185 14 HZ3 TRP 2 HZ3 TRP 2 63.186 15.709 4.210 15 HH2 TRP 2 HH2 TRP 2 64.407 17.076 5.897 16 H GLY 3 HN GLY 3 65.234 15.334 -2.000 17 HA2 GLY 3 HA1 GLY 3 64.611 15.658 -4.806 18 HA3 GLY 3 HA2 GLY 3 64.646 14.134 -3.896 19 H SER 4 HN SER 4 62.725 15.431 -1.900 20 HA SER 4 HA SER 4 60.249 14.725 -3.434 21 HB2 SER 4 HB2 SER 4 60.691 15.114 -0.447 22 HB3 SER 4 HB1 SER 4 59.214 14.504 -1.226 23 HG SER 4 HG SER 4 61.693 13.282 -0.821 24 H ILE 5 HN ILE 5 59.859 16.619 -4.594 25 HA ILE 5 HA ILE 5 59.901 19.233 -3.368 26 HB ILE 5 HB ILE 5 58.210 18.418 -5.768 27 HG12 ILE 5 HG12 ILE 5 61.184 19.095 -5.630 28 HG13 ILE 5 HG11 ILE 5 60.483 17.522 -6.077 29 HG21 ILE 5 HG21 ILE 5 58.046 20.752 -4.686 30 HG22 ILE 5 HG22 ILE 5 58.435 20.713 -6.419 31 HG23 ILE 5 HG23 ILE 5 59.722 21.005 -5.224 32 HD11 ILE 5 HD1 ILE 5 60.964 18.550 -8.162 33 HD12 ILE 5 HD2 ILE 5 60.390 20.141 -7.612 34 HD13 ILE 5 HD3 ILE 5 59.223 18.838 -7.941 35 H PHE 6 HN PHE 6 57.409 16.748 -3.846 36 HA PHE 6 HA PHE 6 55.833 17.835 -1.655 37 HB2 PHE 6 HB2 PHE 6 53.801 18.340 -2.979 38 HB3 PHE 6 HB1 PHE 6 55.144 19.432 -3.393 39 HD1 PHE 6 HD1 PHE 6 53.292 16.367 -4.479 40 HD2 PHE 6 HD2 PHE 6 56.080 19.463 -5.607 41 HE1 PHE 6 HE1 PHE 6 53.139 15.640 -6.857 42 HE2 PHE 6 HE2 PHE 6 55.927 18.734 -7.985 43 HZ PHE 6 HZ PHE 6 54.412 16.858 -8.616 44 H LYS 7 HN LYS 7 56.951 15.418 -3.563 45 HA LYS 7 HA LYS 7 54.790 13.637 -3.938 46 HB2 LYS 7 HB2 LYS 7 57.203 13.362 -4.704 47 HB3 LYS 7 HB1 LYS 7 57.584 12.825 -3.049 48 HG2 LYS 7 HG2 LYS 7 55.821 11.049 -3.268 49 HG3 LYS 7 HG1 LYS 7 55.584 11.543 -4.963 50 HD2 LYS 7 HD2 LYS 7 58.078 11.140 -5.317 51 HD3 LYS 7 HD1 LYS 7 58.107 10.399 -3.698 52 HE2 LYS 7 HE2 LYS 7 56.381 8.769 -4.407 53 HE3 LYS 7 HE1 LYS 7 56.343 9.511 -6.025 54 HZ1 LYS 7 HZ1 LYS 7 58.214 7.646 -4.923 55 HZ2 LYS 7 HZ2 LYS 7 58.995 9.020 -5.546 56 HZ3 LYS 7 HZ3 LYS 7 57.967 8.101 -6.538 57 H HIS 8 HN HIS 8 57.132 13.588 -1.206 58 HA HIS 8 HA HIS 8 55.350 11.888 0.376 59 HB2 HIS 8 HB2 HIS 8 57.905 13.385 1.084 60 HB3 HIS 8 HB1 HIS 8 57.072 12.232 2.154 61 HD1 HIS 8 HD1 HIS 8 59.940 12.181 0.254 62 HD2 HIS 8 HD2 HIS 8 56.475 9.812 0.026 63 HE1 HIS 8 HE1 HIS 8 60.589 9.992 -0.892 64 H GLY 9 HN GLY 9 53.572 13.619 -0.035 65 HA2 GLY 9 HA1 GLY 9 53.036 14.863 2.486 66 HA3 GLY 9 HA2 GLY 9 53.598 16.095 1.338 67 H ARG 10 HN ARG 10 52.360 14.105 -0.773 68 HA ARG 10 HA ARG 10 49.471 14.767 -0.324 69 HB2 ARG 10 HB2 ARG 10 51.016 15.444 -2.864 70 HB3 ARG 10 HB1 ARG 10 49.271 15.670 -2.598 71 HG2 ARG 10 HG2 ARG 10 49.781 17.216 -0.705 72 HG3 ARG 10 HG1 ARG 10 51.517 17.034 -1.051 73 HD2 ARG 10 HD2 ARG 10 51.142 17.904 -3.350 74 HD3 ARG 10 HD1 ARG 10 49.415 18.119 -2.977 75 HE ARG 10 HE ARG 10 51.564 19.892 -2.154 76 HH11 ARG 10 HH11 ARG 10 48.348 19.909 -2.463 77 HH12 ARG 10 HH12 ARG 10 47.965 20.617 -0.929 78 HH21 ARG 10 HH21 ARG 10 51.161 20.216 0.353 79 HH22 ARG 10 HH22 ARG 10 49.558 20.792 0.665 80 H HIS 11 HN HIS 11 51.695 12.475 -0.778 81 HA HIS 11 HA HIS 11 49.731 10.633 -1.950 82 HB2 HIS 11 HB2 HIS 11 52.359 11.192 -3.385 83 HB3 HIS 11 HB1 HIS 11 51.264 9.836 -3.747 84 HD1 HIS 11 HD1 HIS 11 48.585 10.791 -4.084 85 HD2 HIS 11 HD2 HIS 11 51.784 13.373 -4.966 86 HE1 HIS 11 HE1 HIS 11 47.693 12.597 -5.654 87 H ALA 12 HN ALA 12 50.034 8.624 -1.607 88 HA ALA 12 HA ALA 12 50.731 6.705 -0.587 89 HB1 ALA 12 HB1 ALA 12 52.981 7.530 -1.412 90 HB2 ALA 12 HB2 ALA 12 52.982 6.468 0.018 91 HB3 ALA 12 HB3 ALA 12 53.088 8.221 0.197 92 H ALA 13 HN ALA 13 51.391 9.852 0.858 93 HA ALA 13 HA ALA 13 51.066 8.900 3.607 94 HB1 ALA 13 HB1 ALA 13 51.857 11.283 3.000 95 HB2 ALA 13 HB2 ALA 13 50.433 11.238 4.068 96 HB3 ALA 13 HB3 ALA 13 50.234 11.569 2.330 97 H LYS 14 HN LYS 14 50.118 8.545 0.590 98 HA LYS 14 HA LYS 14 47.063 8.239 1.206 99 HB2 LYS 14 HB2 LYS 14 48.073 9.800 -0.636 100 HB3 LYS 14 HB1 LYS 14 48.601 8.262 -1.417 101 HG2 LYS 14 HG2 LYS 14 46.443 7.801 -2.160 102 HG3 LYS 14 HG1 LYS 14 45.676 8.360 -0.656 103 HD2 LYS 14 HD2 LYS 14 45.823 10.675 -1.366 104 HD3 LYS 14 HD1 LYS 14 46.818 10.232 -2.775 105 HE2 LYS 14 HE2 LYS 14 44.282 10.629 -3.177 106 HE3 LYS 14 HE1 LYS 14 45.004 9.154 -3.865 107 HZ1 LYS 14 HZ1 LYS 14 42.982 8.580 -2.755 108 HZ2 LYS 14 HZ2 LYS 14 43.453 9.381 -1.334 109 HZ3 LYS 14 HZ3 LYS 14 44.268 7.976 -1.829 110 H HIS 15 HN HIS 15 46.366 6.682 -0.828 111 HA HIS 15 HA HIS 15 46.047 4.381 -1.140 112 HB2 HIS 15 HB2 HIS 15 48.936 4.738 -2.004 113 HB3 HIS 15 HB1 HIS 15 47.807 3.484 -2.573 114 HD1 HIS 15 HD1 HIS 15 45.254 5.128 -3.021 115 HD2 HIS 15 HD2 HIS 15 49.078 6.375 -4.251 116 HE1 HIS 15 HE1 HIS 15 44.932 6.840 -4.890 117 H ILE 16 HN ILE 16 47.261 5.155 1.543 118 HA ILE 16 HA ILE 16 47.422 2.768 2.696 119 HB ILE 16 HB ILE 16 49.363 1.940 1.541 120 HG12 ILE 16 HG12 ILE 16 50.535 3.156 4.073 121 HG13 ILE 16 HG11 ILE 16 49.370 1.816 4.121 122 HG21 ILE 16 HG21 ILE 16 50.531 4.714 2.063 123 HG22 ILE 16 HG22 ILE 16 50.183 4.008 0.477 124 HG23 ILE 16 HG23 ILE 16 51.496 3.360 1.474 125 HD11 ILE 16 HD1 ILE 16 51.051 0.659 2.415 126 HD12 ILE 16 HD2 ILE 16 51.423 0.669 4.152 127 HD13 ILE 16 HD3 ILE 16 52.216 1.834 3.073 128 H GLY 17 HN GLY 17 49.015 5.666 2.494 129 HA2 GLY 17 HA1 GLY 17 49.071 6.065 5.401 130 HA3 GLY 17 HA2 GLY 17 49.461 7.274 4.162 131 H HIS 18 HN HIS 18 46.894 6.039 2.783 132 HA HIS 18 HA HIS 18 45.024 8.013 4.083 133 HB2 HIS 18 HB2 HIS 18 45.290 6.701 1.415 134 HB3 HIS 18 HB1 HIS 18 43.618 6.756 2.004 135 HD1 HIS 18 HD1 HIS 18 43.009 8.524 0.163 136 HD2 HIS 18 HD2 HIS 18 45.990 9.790 2.842 137 HE1 HIS 18 HE1 HIS 18 43.240 11.055 -0.094 138 H ALA 19 HN ALA 19 45.690 4.584 3.667 139 HA ALA 19 HA ALA 19 44.032 3.922 5.954 140 HB1 ALA 19 HB1 ALA 19 42.444 2.410 4.628 141 HB2 ALA 19 HB2 ALA 19 42.923 3.343 3.185 142 HB3 ALA 19 HB3 ALA 19 42.131 4.157 4.561 143 H ALA 20 HN ALA 20 44.765 2.315 2.858 144 HA ALA 20 HA ALA 20 46.992 0.802 3.890 145 HB1 ALA 20 HB1 ALA 20 45.039 -0.288 5.100 146 HB2 ALA 20 HB2 ALA 20 46.013 -1.377 4.083 147 HB3 ALA 20 HB3 ALA 20 44.436 -0.793 3.503 148 H VAL 21 HN VAL 21 44.516 1.625 1.654 149 HA VAL 21 HA VAL 21 46.267 0.899 -0.620 150 HB VAL 21 HB VAL 21 43.423 -0.199 -0.398 151 HG11 VAL 21 HG11 VAL 21 44.133 -1.319 -2.602 152 HG12 VAL 21 HG12 VAL 21 45.503 -0.186 -2.623 153 HG13 VAL 21 HG13 VAL 21 43.835 0.430 -2.679 154 HG21 VAL 21 HG21 VAL 21 46.175 -1.510 -0.311 155 HG22 VAL 21 HG22 VAL 21 44.682 -2.422 -0.633 156 HG23 VAL 21 HG23 VAL 21 44.891 -1.589 0.919 157 H ASN 22 HN ASN 22 43.710 2.664 0.913 158 HA ASN 22 HA ASN 22 43.852 4.976 -0.620 159 HB2 ASN 22 HB2 ASN 22 43.203 3.952 -2.676 160 HB3 ASN 22 HB1 ASN 22 41.968 2.951 -1.877 161 HD21 ASN 22 HD21 ASN 22 40.065 3.686 -2.911 162 HD22 ASN 22 HD22 ASN 22 39.556 5.377 -2.907 163 H HIS 23 HN HIS 23 41.592 2.642 0.822 164 HA HIS 23 HA HIS 23 40.697 4.579 2.784 165 HB2 HIS 23 HB2 HIS 23 39.474 5.392 0.755 166 HB3 HIS 23 HB1 HIS 23 38.679 3.803 0.649 167 HD1 HIS 23 HD1 HIS 23 36.496 3.647 1.836 168 HD2 HIS 23 HD2 HIS 23 39.019 6.534 3.565 169 HE1 HIS 23 HE1 HIS 23 35.189 4.767 3.725 170 H TYR 24 HN TYR 24 41.690 1.759 2.394 171 HA TYR 24 HA TYR 24 39.732 -0.193 2.789 172 HB2 TYR 24 HB2 TYR 24 42.243 -0.522 2.627 173 HB3 TYR 24 HB1 TYR 24 42.340 -0.065 4.345 174 HD1 TYR 24 HD1 TYR 24 41.081 -2.597 1.934 175 HD2 TYR 24 HD2 TYR 24 41.500 -1.540 6.099 176 HE1 TYR 24 HE1 TYR 24 40.466 -4.921 2.586 177 HE2 TYR 24 HE2 TYR 24 40.886 -3.865 6.750 178 HH TYR 24 HH TYR 24 39.338 -5.921 4.999 179 H LEU 25 HN LEU 25 40.442 2.493 4.794 180 HA LEU 25 HA LEU 25 39.852 1.476 7.370 181 HB2 LEU 25 HB2 LEU 25 40.725 3.714 7.098 182 HB3 LEU 25 HB1 LEU 25 39.332 4.197 6.109 183 HG LEU 25 HG LEU 25 37.834 4.058 8.014 184 HD11 LEU 25 HD11 LEU 25 38.563 2.139 9.223 185 HD12 LEU 25 HD12 LEU 25 38.903 3.498 10.318 186 HD13 LEU 25 HD13 LEU 25 40.224 2.760 9.380 187 HD21 LEU 25 HD21 LEU 25 40.438 5.365 8.916 188 HD22 LEU 25 HD22 LEU 25 38.793 5.784 9.454 189 HD23 LEU 25 HD23 LEU 25 39.286 6.095 7.772 Start of MODEL 87 1 H1 GLY 1 HT1 GLY 1 65.533 24.091 -4.731 2 H2 GLY 1 HT2 GLY 1 64.481 24.216 -6.059 3 H3 GLY 1 HT3 GLY 1 66.143 24.512 -6.255 4 HA2 GLY 1 HA1 GLY 1 65.260 22.323 -7.051 5 HA3 GLY 1 HA2 GLY 1 66.719 22.327 -6.042 6 H TRP 2 HN TRP 2 63.145 22.188 -5.783 7 HA TRP 2 HA TRP 2 63.261 20.878 -3.179 8 HB2 TRP 2 HB2 TRP 2 60.935 20.995 -5.135 9 HB3 TRP 2 HB1 TRP 2 60.860 20.719 -3.378 10 HD1 TRP 2 HD1 TRP 2 60.938 23.429 -5.951 11 HE1 TRP 2 HE1 TRP 2 60.978 25.773 -4.826 12 HE3 TRP 2 HE3 TRP 2 61.878 21.992 -1.128 13 HZ2 TRP 2 HZ2 TRP 2 61.369 26.845 -2.182 14 HZ3 TRP 2 HZ3 TRP 2 62.081 23.693 0.680 15 HH2 TRP 2 HH2 TRP 2 61.827 26.115 0.157 16 H GLY 3 HN GLY 3 62.288 19.798 -6.470 17 HA2 GLY 3 HA1 GLY 3 62.473 17.702 -7.446 18 HA3 GLY 3 HA2 GLY 3 63.579 17.236 -6.137 19 H SER 4 HN SER 4 60.300 18.446 -5.625 20 HA SER 4 HA SER 4 59.112 15.796 -5.385 21 HB2 SER 4 HB2 SER 4 59.919 17.299 -2.869 22 HB3 SER 4 HB1 SER 4 58.677 16.026 -2.891 23 HG SER 4 HG SER 4 61.363 15.804 -2.884 24 H ILE 5 HN ILE 5 57.430 16.568 -6.602 25 HA ILE 5 HA ILE 5 56.104 19.089 -5.932 26 HB ILE 5 HB ILE 5 54.987 16.853 -7.678 27 HG12 ILE 5 HG12 ILE 5 57.001 19.042 -8.372 28 HG13 ILE 5 HG11 ILE 5 57.295 17.288 -8.396 29 HG21 ILE 5 HG21 ILE 5 53.748 18.612 -8.732 30 HG22 ILE 5 HG22 ILE 5 54.730 19.876 -7.954 31 HG23 ILE 5 HG23 ILE 5 53.593 18.909 -6.985 32 HD11 ILE 5 HD1 ILE 5 56.861 17.833 -10.666 33 HD12 ILE 5 HD2 ILE 5 55.536 18.939 -10.241 34 HD13 ILE 5 HD3 ILE 5 55.312 17.179 -10.083 35 H PHE 6 HN PHE 6 55.706 15.674 -5.166 36 HA PHE 6 HA PHE 6 53.761 16.373 -3.069 37 HB2 PHE 6 HB2 PHE 6 52.093 14.650 -3.939 38 HB3 PHE 6 HB1 PHE 6 52.167 16.179 -4.845 39 HD1 PHE 6 HD1 PHE 6 52.757 16.200 -7.163 40 HD2 PHE 6 HD2 PHE 6 53.428 12.645 -4.807 41 HE1 PHE 6 HE1 PHE 6 53.316 14.931 -9.233 42 HE2 PHE 6 HE2 PHE 6 53.986 11.379 -6.878 43 HZ PHE 6 HZ PHE 6 53.842 12.501 -9.099 44 H LYS 7 HN LYS 7 56.449 14.926 -3.884 45 HA LYS 7 HA LYS 7 55.991 12.203 -2.886 46 HB2 LYS 7 HB2 LYS 7 58.630 13.677 -3.223 47 HB3 LYS 7 HB1 LYS 7 58.368 11.918 -3.159 48 HG2 LYS 7 HG2 LYS 7 57.023 12.042 -5.240 49 HG3 LYS 7 HG1 LYS 7 57.303 13.799 -5.311 50 HD2 LYS 7 HD2 LYS 7 59.746 13.406 -5.448 51 HD3 LYS 7 HD1 LYS 7 59.466 11.649 -5.383 52 HE2 LYS 7 HE2 LYS 7 58.280 13.477 -7.512 53 HE3 LYS 7 HE1 LYS 7 59.789 12.558 -7.723 54 HZ1 LYS 7 HZ1 LYS 7 58.496 10.888 -8.377 55 HZ2 LYS 7 HZ2 LYS 7 57.075 11.657 -7.853 56 HZ3 LYS 7 HZ3 LYS 7 57.993 10.729 -6.766 57 H HIS 8 HN HIS 8 56.867 15.338 -1.588 58 HA HIS 8 HA HIS 8 57.921 14.266 0.932 59 HB2 HIS 8 HB2 HIS 8 57.094 17.052 0.030 60 HB3 HIS 8 HB1 HIS 8 57.759 16.694 1.640 61 HD1 HIS 8 HD1 HIS 8 59.651 18.458 0.506 62 HD2 HIS 8 HD2 HIS 8 59.545 14.499 -0.904 63 HE1 HIS 8 HE1 HIS 8 61.908 17.980 -0.590 64 H GLY 9 HN GLY 9 56.067 12.827 1.355 65 HA2 GLY 9 HA1 GLY 9 54.087 12.339 2.447 66 HA3 GLY 9 HA2 GLY 9 54.443 13.778 3.422 67 H ARG 10 HN ARG 10 52.821 12.566 0.513 68 HA ARG 10 HA ARG 10 50.590 14.348 0.921 69 HB2 ARG 10 HB2 ARG 10 52.420 15.882 -0.081 70 HB3 ARG 10 HB1 ARG 10 52.190 14.969 -1.588 71 HG2 ARG 10 HG2 ARG 10 49.812 15.577 -1.636 72 HG3 ARG 10 HG1 ARG 10 49.964 16.402 -0.067 73 HD2 ARG 10 HD2 ARG 10 51.497 18.040 -1.016 74 HD3 ARG 10 HD1 ARG 10 51.540 17.161 -2.563 75 HE ARG 10 HE ARG 10 48.824 17.804 -1.995 76 HH11 ARG 10 HH11 ARG 10 47.888 19.576 -3.038 77 HH12 ARG 10 HH12 ARG 10 48.903 20.826 -3.674 78 HH21 ARG 10 HH21 ARG 10 51.854 19.303 -2.676 79 HH22 ARG 10 HH22 ARG 10 51.149 20.672 -3.469 80 H HIS 11 HN HIS 11 52.151 11.717 -0.318 81 HA HIS 11 HA HIS 11 49.687 10.708 -1.541 82 HB2 HIS 11 HB2 HIS 11 50.709 11.935 -3.461 83 HB3 HIS 11 HB1 HIS 11 52.193 10.974 -3.255 84 HD1 HIS 11 HD1 HIS 11 48.540 10.681 -4.270 85 HD2 HIS 11 HD2 HIS 11 52.057 8.381 -4.322 86 HE1 HIS 11 HE1 HIS 11 48.046 8.564 -5.613 87 H ALA 12 HN ALA 12 49.494 8.668 -1.598 88 HA ALA 12 HA ALA 12 49.834 6.445 -1.147 89 HB1 ALA 12 HB1 ALA 12 52.067 6.944 -2.249 90 HB2 ALA 12 HB2 ALA 12 52.016 5.596 -1.085 91 HB3 ALA 12 HB3 ALA 12 52.594 7.190 -0.593 92 H ALA 13 HN ALA 13 51.494 8.958 0.681 93 HA ALA 13 HA ALA 13 51.365 7.505 3.218 94 HB1 ALA 13 HB1 ALA 13 52.651 9.702 2.971 95 HB2 ALA 13 HB2 ALA 13 51.367 9.791 4.202 96 HB3 ALA 13 HB3 ALA 13 51.110 10.507 2.592 97 H LYS 14 HN LYS 14 49.903 8.065 0.442 98 HA LYS 14 HA LYS 14 47.011 8.306 1.612 99 HB2 LYS 14 HB2 LYS 14 48.074 9.962 -0.118 100 HB3 LYS 14 HB1 LYS 14 48.042 8.550 -1.237 101 HG2 LYS 14 HG2 LYS 14 45.743 8.725 -1.543 102 HG3 LYS 14 HG1 LYS 14 45.424 9.169 0.149 103 HD2 LYS 14 HD2 LYS 14 46.011 11.470 -0.255 104 HD3 LYS 14 HD1 LYS 14 46.688 11.083 -1.855 105 HE2 LYS 14 HE2 LYS 14 44.442 12.088 -2.086 106 HE3 LYS 14 HE1 LYS 14 44.430 10.396 -2.637 107 HZ1 LYS 14 HZ1 LYS 14 43.273 11.575 -0.201 108 HZ2 LYS 14 HZ2 LYS 14 43.793 9.958 -0.161 109 HZ3 LYS 14 HZ3 LYS 14 42.606 10.445 -1.276 110 H HIS 15 HN HIS 15 45.607 7.433 -0.413 111 HA HIS 15 HA HIS 15 44.621 5.398 -1.029 112 HB2 HIS 15 HB2 HIS 15 45.964 6.261 -2.964 113 HB3 HIS 15 HB1 HIS 15 47.295 5.191 -2.461 114 HD1 HIS 15 HD1 HIS 15 47.296 2.966 -3.572 115 HD2 HIS 15 HD2 HIS 15 43.437 4.625 -3.384 116 HE1 HIS 15 HE1 HIS 15 45.703 1.322 -4.708 117 H ILE 16 HN ILE 16 46.569 5.265 1.354 118 HA ILE 16 HA ILE 16 46.223 2.688 2.023 119 HB ILE 16 HB ILE 16 47.629 1.758 0.351 120 HG12 ILE 16 HG12 ILE 16 49.495 2.068 2.739 121 HG13 ILE 16 HG11 ILE 16 48.068 1.010 2.765 122 HG21 ILE 16 HG21 ILE 16 49.549 4.012 1.075 123 HG22 ILE 16 HG22 ILE 16 48.752 3.771 -0.491 124 HG23 ILE 16 HG23 ILE 16 50.017 2.653 0.051 125 HD11 ILE 16 HD1 ILE 16 49.734 -0.504 2.109 126 HD12 ILE 16 HD2 ILE 16 50.637 0.716 1.187 127 HD13 ILE 16 HD3 ILE 16 49.140 0.025 0.521 128 H GLY 17 HN GLY 17 48.412 5.175 2.030 129 HA2 GLY 17 HA1 GLY 17 49.041 4.856 4.885 130 HA3 GLY 17 HA2 GLY 17 49.486 6.232 3.856 131 H HIS 18 HN HIS 18 46.572 5.896 2.778 132 HA HIS 18 HA HIS 18 45.370 7.781 4.789 133 HB2 HIS 18 HB2 HIS 18 44.984 7.149 1.894 134 HB3 HIS 18 HB1 HIS 18 43.468 7.425 2.772 135 HD1 HIS 18 HD1 HIS 18 43.126 9.684 1.471 136 HD2 HIS 18 HD2 HIS 18 46.613 9.552 3.819 137 HE1 HIS 18 HE1 HIS 18 43.974 12.082 1.713 138 H ALA 19 HN ALA 19 44.642 4.643 3.141 139 HA ALA 19 HA ALA 19 43.690 3.286 5.404 140 HB1 ALA 19 HB1 ALA 19 41.128 3.474 4.914 141 HB2 ALA 19 HB2 ALA 19 41.548 5.009 4.121 142 HB3 ALA 19 HB3 ALA 19 41.897 4.770 5.851 143 H ALA 20 HN ALA 20 44.530 3.485 2.312 144 HA ALA 20 HA ALA 20 44.447 2.013 0.517 145 HB1 ALA 20 HB1 ALA 20 44.926 0.377 2.450 146 HB2 ALA 20 HB2 ALA 20 44.228 -0.310 0.964 147 HB3 ALA 20 HB3 ALA 20 43.195 -0.028 2.386 148 H VAL 21 HN VAL 21 42.043 3.507 1.855 149 HA VAL 21 HA VAL 21 40.037 2.637 -0.181 150 HB VAL 21 HB VAL 21 39.451 3.021 2.794 151 HG11 VAL 21 HG11 VAL 21 37.108 2.213 1.951 152 HG12 VAL 21 HG12 VAL 21 37.679 2.707 0.341 153 HG13 VAL 21 HG13 VAL 21 37.565 3.904 1.653 154 HG21 VAL 21 HG21 VAL 21 39.287 0.576 0.971 155 HG22 VAL 21 HG22 VAL 21 38.715 0.631 2.655 156 HG23 VAL 21 HG23 VAL 21 40.445 0.824 2.299 157 H ASN 22 HN ASN 22 41.844 4.893 1.500 158 HA ASN 22 HA ASN 22 42.060 7.178 0.876 159 HB2 ASN 22 HB2 ASN 22 39.080 7.315 0.318 160 HB3 ASN 22 HB1 ASN 22 40.340 8.488 -0.118 161 HD21 ASN 22 HD21 ASN 22 38.382 6.526 -1.714 162 HD22 ASN 22 HD22 ASN 22 39.474 5.855 -2.930 163 H HIS 23 HN HIS 23 39.319 5.899 2.667 164 HA HIS 23 HA HIS 23 38.696 6.328 4.872 165 HB2 HIS 23 HB2 HIS 23 41.225 7.112 5.112 166 HB3 HIS 23 HB1 HIS 23 40.526 8.743 5.096 167 HD1 HIS 23 HD1 HIS 23 40.112 9.595 7.387 168 HD2 HIS 23 HD2 HIS 23 39.455 5.449 7.120 169 HE1 HIS 23 HE1 HIS 23 39.412 8.783 9.708 170 H TYR 24 HN TYR 24 38.200 7.975 2.189 171 HA TYR 24 HA TYR 24 36.995 10.440 3.203 172 HB2 TYR 24 HB2 TYR 24 37.933 10.214 0.907 173 HB3 TYR 24 HB1 TYR 24 36.653 9.040 0.521 174 HD1 TYR 24 HD1 TYR 24 34.604 9.837 -0.362 175 HD2 TYR 24 HD2 TYR 24 37.121 12.520 1.898 176 HE1 TYR 24 HE1 TYR 24 33.068 11.725 -0.891 177 HE2 TYR 24 HE2 TYR 24 35.582 14.405 1.370 178 HH TYR 24 HH TYR 24 34.078 14.908 -0.621 179 H LEU 25 HN LEU 25 36.105 7.817 4.353 180 HA LEU 25 HA LEU 25 33.467 7.245 3.345 181 HB2 LEU 25 HB2 LEU 25 35.079 5.891 4.954 182 HB3 LEU 25 HB1 LEU 25 34.251 6.792 6.241 183 HG LEU 25 HG LEU 25 32.911 5.048 4.119 184 HD11 LEU 25 HD11 LEU 25 34.129 3.767 5.848 185 HD12 LEU 25 HD12 LEU 25 32.370 3.593 6.058 186 HD13 LEU 25 HD13 LEU 25 33.292 4.680 7.125 187 HD21 LEU 25 HD21 LEU 25 30.897 5.436 5.725 188 HD22 LEU 25 HD22 LEU 25 31.346 6.768 4.638 189 HD23 LEU 25 HD23 LEU 25 31.831 6.817 6.351 Start of MODEL 88 1 H1 GLY 1 HT1 GLY 1 65.816 10.460 1.654 2 H2 GLY 1 HT2 GLY 1 66.066 11.443 3.018 3 H3 GLY 1 HT3 GLY 1 65.746 12.148 1.505 4 HA2 GLY 1 HA1 GLY 1 63.574 11.053 1.504 5 HA3 GLY 1 HA2 GLY 1 63.922 10.543 3.167 6 H TRP 2 HN TRP 2 64.714 13.616 1.526 7 HA TRP 2 HA TRP 2 63.783 15.162 3.787 8 HB2 TRP 2 HB2 TRP 2 64.269 16.122 0.943 9 HB3 TRP 2 HB1 TRP 2 64.307 17.093 2.434 10 HD1 TRP 2 HD1 TRP 2 66.309 16.530 4.189 11 HE1 TRP 2 HE1 TRP 2 68.729 15.666 3.794 12 HE3 TRP 2 HE3 TRP 2 65.738 14.664 -0.544 13 HZ2 TRP 2 HZ2 TRP 2 70.189 14.346 1.693 14 HZ3 TRP 2 HZ3 TRP 2 67.657 13.606 -1.725 15 HH2 TRP 2 HH2 TRP 2 69.880 13.446 -0.612 16 H GLY 3 HN GLY 3 62.360 17.256 2.872 17 HA2 GLY 3 HA1 GLY 3 59.691 16.190 2.792 18 HA3 GLY 3 HA2 GLY 3 60.152 17.891 2.581 19 H SER 4 HN SER 4 62.009 16.973 0.327 20 HA SER 4 HA SER 4 61.855 16.961 -1.987 21 HB2 SER 4 HB2 SER 4 59.480 15.147 -1.402 22 HB3 SER 4 HB1 SER 4 60.293 15.314 -2.974 23 HG SER 4 HG SER 4 62.089 14.880 -1.004 24 H ILE 5 HN ILE 5 59.851 16.925 -3.819 25 HA ILE 5 HA ILE 5 58.738 19.617 -3.490 26 HB ILE 5 HB ILE 5 57.708 19.115 -5.774 27 HG12 ILE 5 HG12 ILE 5 59.438 16.605 -5.561 28 HG13 ILE 5 HG11 ILE 5 57.672 16.600 -5.371 29 HG21 ILE 5 HG21 ILE 5 60.709 18.602 -5.574 30 HG22 ILE 5 HG22 ILE 5 59.966 20.209 -5.396 31 HG23 ILE 5 HG23 ILE 5 59.830 19.334 -6.936 32 HD11 ILE 5 HD1 ILE 5 57.997 16.048 -7.652 33 HD12 ILE 5 HD2 ILE 5 59.309 17.231 -7.848 34 HD13 ILE 5 HD3 ILE 5 57.624 17.786 -7.698 35 H PHE 6 HN PHE 6 57.668 18.400 -1.425 36 HA PHE 6 HA PHE 6 55.649 17.891 -0.412 37 HB2 PHE 6 HB2 PHE 6 54.290 18.771 -2.982 38 HB3 PHE 6 HB1 PHE 6 53.654 18.827 -1.322 39 HD1 PHE 6 HD1 PHE 6 54.618 20.427 0.346 40 HD2 PHE 6 HD2 PHE 6 55.767 20.499 -3.814 41 HE1 PHE 6 HE1 PHE 6 55.570 22.711 0.648 42 HE2 PHE 6 HE2 PHE 6 56.721 22.781 -3.512 43 HZ PHE 6 HZ PHE 6 56.657 23.870 -1.271 44 H LYS 7 HN LYS 7 57.039 16.040 -2.497 45 HA LYS 7 HA LYS 7 54.909 14.396 -3.572 46 HB2 LYS 7 HB2 LYS 7 57.235 14.442 -4.474 47 HB3 LYS 7 HB1 LYS 7 57.801 13.653 -2.983 48 HG2 LYS 7 HG2 LYS 7 56.447 11.690 -3.424 49 HG3 LYS 7 HG1 LYS 7 55.650 12.491 -4.801 50 HD2 LYS 7 HD2 LYS 7 57.734 12.557 -6.050 51 HD3 LYS 7 HD1 LYS 7 58.646 11.955 -4.646 52 HE2 LYS 7 HE2 LYS 7 58.042 10.215 -6.443 53 HE3 LYS 7 HE1 LYS 7 57.609 9.802 -4.767 54 HZ1 LYS 7 HZ1 LYS 7 55.751 11.070 -6.715 55 HZ2 LYS 7 HZ2 LYS 7 55.368 10.493 -5.165 56 HZ3 LYS 7 HZ3 LYS 7 55.806 9.405 -6.394 57 H HIS 8 HN HIS 8 57.308 13.695 -0.985 58 HA HIS 8 HA HIS 8 55.620 11.536 0.064 59 HB2 HIS 8 HB2 HIS 8 58.151 12.834 1.154 60 HB3 HIS 8 HB1 HIS 8 57.393 11.353 1.787 61 HD1 HIS 8 HD1 HIS 8 57.126 9.327 -0.041 62 HD2 HIS 8 HD2 HIS 8 59.855 12.383 -0.993 63 HE1 HIS 8 HE1 HIS 8 58.677 8.424 -1.859 64 H GLY 9 HN GLY 9 53.977 13.646 0.086 65 HA2 GLY 9 HA1 GLY 9 53.441 13.971 2.936 66 HA3 GLY 9 HA2 GLY 9 53.958 15.479 2.156 67 H ARG 10 HN ARG 10 52.678 14.270 -0.410 68 HA ARG 10 HA ARG 10 49.815 14.920 0.304 69 HB2 ARG 10 HB2 ARG 10 51.440 15.763 -2.129 70 HB3 ARG 10 HB1 ARG 10 49.674 15.941 -1.989 71 HG2 ARG 10 HG2 ARG 10 50.025 17.285 0.106 72 HG3 ARG 10 HG1 ARG 10 51.780 17.199 -0.178 73 HD2 ARG 10 HD2 ARG 10 50.882 19.313 -1.069 74 HD3 ARG 10 HD1 ARG 10 51.460 18.279 -2.399 75 HE ARG 10 HE ARG 10 48.619 17.903 -1.830 76 HH11 ARG 10 HH11 ARG 10 50.779 18.497 -4.245 77 HH12 ARG 10 HH12 ARG 10 49.805 19.630 -5.121 78 HH21 ARG 10 HH21 ARG 10 47.436 19.938 -2.608 79 HH22 ARG 10 HH22 ARG 10 47.913 20.447 -4.193 80 H HIS 11 HN HIS 11 51.887 12.550 -0.590 81 HA HIS 11 HA HIS 11 49.694 10.955 -1.736 82 HB2 HIS 11 HB2 HIS 11 52.277 11.294 -3.309 83 HB3 HIS 11 HB1 HIS 11 50.873 10.297 -3.756 84 HD1 HIS 11 HD1 HIS 11 51.844 13.961 -3.188 85 HD2 HIS 11 HD2 HIS 11 48.945 11.675 -5.201 86 HE1 HIS 11 HE1 HIS 11 50.413 15.576 -4.555 87 H ALA 12 HN ALA 12 49.850 8.917 -1.544 88 HA ALA 12 HA ALA 12 50.486 6.874 -0.737 89 HB1 ALA 12 HB1 ALA 12 52.751 6.435 -0.336 90 HB2 ALA 12 HB2 ALA 12 53.000 8.153 -0.025 91 HB3 ALA 12 HB3 ALA 12 52.722 7.601 -1.679 92 H ALA 13 HN ALA 13 51.471 9.857 0.862 93 HA ALA 13 HA ALA 13 51.269 8.722 3.555 94 HB1 ALA 13 HB1 ALA 13 52.151 10.973 3.551 95 HB2 ALA 13 HB2 ALA 13 50.435 11.198 3.969 96 HB3 ALA 13 HB3 ALA 13 50.994 11.503 2.307 97 H LYS 14 HN LYS 14 50.093 8.646 0.603 98 HA LYS 14 HA LYS 14 47.079 8.502 1.434 99 HB2 LYS 14 HB2 LYS 14 48.054 10.113 -0.394 100 HB3 LYS 14 HB1 LYS 14 48.397 8.597 -1.305 101 HG2 LYS 14 HG2 LYS 14 46.162 8.333 -1.889 102 HG3 LYS 14 HG1 LYS 14 45.563 8.828 -0.293 103 HD2 LYS 14 HD2 LYS 14 44.794 10.461 -1.888 104 HD3 LYS 14 HD1 LYS 14 46.091 11.236 -0.953 105 HE2 LYS 14 HE2 LYS 14 47.679 10.419 -2.847 106 HE3 LYS 14 HE1 LYS 14 46.192 10.136 -3.784 107 HZ1 LYS 14 HZ1 LYS 14 46.558 12.286 -4.338 108 HZ2 LYS 14 HZ2 LYS 14 47.402 12.649 -2.909 109 HZ3 LYS 14 HZ3 LYS 14 45.705 12.575 -2.900 110 H HIS 15 HN HIS 15 46.116 7.130 -0.612 111 HA HIS 15 HA HIS 15 45.597 4.876 -1.008 112 HB2 HIS 15 HB2 HIS 15 47.028 5.769 -2.889 113 HB3 HIS 15 HB1 HIS 15 48.424 4.984 -2.114 114 HD1 HIS 15 HD1 HIS 15 44.993 4.138 -3.593 115 HD2 HIS 15 HD2 HIS 15 48.670 2.290 -2.737 116 HE1 HIS 15 HE1 HIS 15 44.877 1.752 -4.501 117 H ILE 16 HN ILE 16 47.146 5.408 1.569 118 HA ILE 16 HA ILE 16 47.219 2.928 2.561 119 HB ILE 16 HB ILE 16 49.004 2.073 1.235 120 HG12 ILE 16 HG12 ILE 16 50.638 3.046 3.605 121 HG13 ILE 16 HG11 ILE 16 49.252 1.979 3.897 122 HG21 ILE 16 HG21 ILE 16 49.832 4.141 0.198 123 HG22 ILE 16 HG22 ILE 16 51.197 3.387 1.043 124 HG23 ILE 16 HG23 ILE 16 50.354 4.750 1.780 125 HD11 ILE 16 HD1 ILE 16 51.671 1.380 2.134 126 HD12 ILE 16 HD2 ILE 16 50.229 0.343 2.237 127 HD13 ILE 16 HD3 ILE 16 51.242 0.605 3.675 128 H GLY 17 HN GLY 17 48.935 5.760 2.445 129 HA2 GLY 17 HA1 GLY 17 49.197 5.937 5.366 130 HA3 GLY 17 HA2 GLY 17 49.532 7.233 4.199 131 H HIS 18 HN HIS 18 46.885 6.211 2.872 132 HA HIS 18 HA HIS 18 45.125 8.075 4.440 133 HB2 HIS 18 HB2 HIS 18 45.255 7.044 1.642 134 HB3 HIS 18 HB1 HIS 18 43.606 7.140 2.289 135 HD1 HIS 18 HD1 HIS 18 43.074 9.126 0.657 136 HD2 HIS 18 HD2 HIS 18 46.186 9.914 3.371 137 HE1 HIS 18 HE1 HIS 18 43.472 11.650 0.648 138 H ALA 19 HN ALA 19 45.241 4.627 3.318 139 HA ALA 19 HA ALA 19 43.777 3.799 5.701 140 HB1 ALA 19 HB1 ALA 19 42.205 3.526 3.130 141 HB2 ALA 19 HB2 ALA 19 41.984 4.911 4.229 142 HB3 ALA 19 HB3 ALA 19 41.654 3.259 4.802 143 H ALA 20 HN ALA 20 46.180 2.923 4.459 144 HA ALA 20 HA ALA 20 47.178 0.887 3.977 145 HB1 ALA 20 HB1 ALA 20 44.538 -0.574 4.072 146 HB2 ALA 20 HB2 ALA 20 45.235 0.090 5.567 147 HB3 ALA 20 HB3 ALA 20 46.146 -1.104 4.615 148 H VAL 21 HN VAL 21 44.370 2.025 2.215 149 HA VAL 21 HA VAL 21 45.606 0.973 -0.288 150 HB VAL 21 HB VAL 21 42.653 0.503 0.313 151 HG11 VAL 21 HG11 VAL 21 43.193 0.804 -2.062 152 HG12 VAL 21 HG12 VAL 21 42.843 -0.912 -1.746 153 HG13 VAL 21 HG13 VAL 21 44.526 -0.368 -1.933 154 HG21 VAL 21 HG21 VAL 21 45.043 -1.391 0.413 155 HG22 VAL 21 HG22 VAL 21 43.350 -1.936 0.350 156 HG23 VAL 21 HG23 VAL 21 43.928 -0.991 1.744 157 H ASN 22 HN ASN 22 43.320 3.011 1.434 158 HA ASN 22 HA ASN 22 43.651 5.418 0.281 159 HB2 ASN 22 HB2 ASN 22 43.405 4.867 -2.009 160 HB3 ASN 22 HB1 ASN 22 42.090 3.710 -1.690 161 HD21 ASN 22 HD21 ASN 22 42.884 7.244 -1.657 162 HD22 ASN 22 HD22 ASN 22 41.225 7.765 -1.966 163 H HIS 23 HN HIS 23 41.060 3.005 0.704 164 HA HIS 23 HA HIS 23 39.909 4.492 2.907 165 HB2 HIS 23 HB2 HIS 23 39.096 5.862 0.961 166 HB3 HIS 23 HB1 HIS 23 38.262 4.413 0.349 167 HD1 HIS 23 HD1 HIS 23 38.547 5.774 3.936 168 HD2 HIS 23 HD2 HIS 23 35.622 4.904 1.044 169 HE1 HIS 23 HE1 HIS 23 36.266 6.090 5.043 170 H TYR 24 HN TYR 24 37.643 3.497 3.447 171 HA TYR 24 HA TYR 24 36.541 1.563 4.100 172 HB2 TYR 24 HB2 TYR 24 36.053 1.545 1.630 173 HB3 TYR 24 HB1 TYR 24 37.452 0.467 1.410 174 HD1 TYR 24 HD1 TYR 24 37.269 -1.878 1.855 175 HD2 TYR 24 HD2 TYR 24 34.169 0.811 3.194 176 HE1 TYR 24 HE1 TYR 24 35.847 -3.827 2.480 177 HE2 TYR 24 HE2 TYR 24 32.747 -1.138 3.817 178 HH TYR 24 HH TYR 24 32.578 -3.355 3.863 179 H LEU 25 HN LEU 25 39.717 1.832 4.108 180 HA LEU 25 HA LEU 25 41.444 0.571 4.992 181 HB2 LEU 25 HB2 LEU 25 39.439 0.147 6.670 182 HB3 LEU 25 HB1 LEU 25 39.459 -1.494 5.994 183 HG LEU 25 HG LEU 25 41.843 -0.055 7.252 184 HD11 LEU 25 HD11 LEU 25 40.108 -0.716 8.890 185 HD12 LEU 25 HD12 LEU 25 41.563 -1.727 9.061 186 HD13 LEU 25 HD13 LEU 25 40.121 -2.373 8.241 187 HD21 LEU 25 HD21 LEU 25 42.766 -2.493 7.149 188 HD22 LEU 25 HD22 LEU 25 42.744 -1.557 5.639 189 HD23 LEU 25 HD23 LEU 25 41.488 -2.783 5.944 Start of MODEL 89 1 H1 GLY 1 HT1 GLY 1 65.168 12.401 -2.000 2 H2 GLY 1 HT2 GLY 1 65.106 12.428 -0.301 3 H3 GLY 1 HT3 GLY 1 65.959 11.198 -1.106 4 HA2 GLY 1 HA1 GLY 1 67.044 13.394 -0.084 5 HA3 GLY 1 HA2 GLY 1 67.754 12.400 -1.370 6 H TRP 2 HN TRP 2 65.429 13.201 -3.164 7 HA TRP 2 HA TRP 2 66.783 15.435 -4.409 8 HB2 TRP 2 HB2 TRP 2 65.478 13.741 -5.672 9 HB3 TRP 2 HB1 TRP 2 63.986 14.337 -4.904 10 HD1 TRP 2 HD1 TRP 2 62.863 16.398 -5.940 11 HE1 TRP 2 HE1 TRP 2 63.407 18.039 -7.882 12 HE3 TRP 2 HE3 TRP 2 67.659 14.910 -6.935 13 HZ2 TRP 2 HZ2 TRP 2 65.636 18.604 -9.615 14 HZ3 TRP 2 HZ3 TRP 2 68.976 16.014 -8.737 15 HH2 TRP 2 HH2 TRP 2 67.969 17.857 -10.076 16 H GLY 3 HN GLY 3 63.340 15.303 -3.418 17 HA2 GLY 3 HA1 GLY 3 63.326 17.381 -1.553 18 HA3 GLY 3 HA2 GLY 3 63.230 18.182 -3.134 19 H SER 4 HN SER 4 61.897 15.205 -3.581 20 HA SER 4 HA SER 4 59.704 14.529 -3.913 21 HB2 SER 4 HB2 SER 4 59.344 16.049 -1.303 22 HB3 SER 4 HB1 SER 4 58.120 14.982 -2.025 23 HG SER 4 HG SER 4 59.964 13.398 -2.045 24 H ILE 5 HN ILE 5 58.853 15.402 -5.701 25 HA ILE 5 HA ILE 5 58.287 18.239 -5.933 26 HB ILE 5 HB ILE 5 57.121 16.019 -7.663 27 HG12 ILE 5 HG12 ILE 5 59.865 17.351 -7.805 28 HG13 ILE 5 HG11 ILE 5 59.545 15.643 -7.428 29 HG21 ILE 5 HG21 ILE 5 56.994 17.714 -9.354 30 HG22 ILE 5 HG22 ILE 5 58.028 18.826 -8.425 31 HG23 ILE 5 HG23 ILE 5 56.373 18.478 -7.874 32 HD11 ILE 5 HD1 ILE 5 59.163 17.103 -10.063 33 HD12 ILE 5 HD2 ILE 5 58.321 15.570 -9.729 34 HD13 ILE 5 HD3 ILE 5 60.100 15.628 -9.737 35 H PHE 6 HN PHE 6 56.406 15.341 -5.116 36 HA PHE 6 HA PHE 6 54.359 16.987 -3.854 37 HB2 PHE 6 HB2 PHE 6 52.472 16.323 -5.254 38 HB3 PHE 6 HB1 PHE 6 53.675 17.183 -6.244 39 HD1 PHE 6 HD1 PHE 6 54.788 16.086 -8.072 40 HD2 PHE 6 HD2 PHE 6 52.394 13.792 -5.308 41 HE1 PHE 6 HE1 PHE 6 54.954 14.104 -9.574 42 HE2 PHE 6 HE2 PHE 6 52.561 11.811 -6.809 43 HZ PHE 6 HZ PHE 6 53.774 11.992 -8.978 44 H LYS 7 HN LYS 7 56.117 14.195 -4.309 45 HA LYS 7 HA LYS 7 54.336 12.122 -3.540 46 HB2 LYS 7 HB2 LYS 7 57.293 12.494 -2.920 47 HB3 LYS 7 HB1 LYS 7 56.391 10.976 -2.692 48 HG2 LYS 7 HG2 LYS 7 55.800 10.974 -5.107 49 HG3 LYS 7 HG1 LYS 7 56.736 12.473 -5.328 50 HD2 LYS 7 HD2 LYS 7 58.753 11.233 -4.399 51 HD3 LYS 7 HD1 LYS 7 57.786 9.741 -4.487 52 HE2 LYS 7 HE2 LYS 7 57.466 10.061 -6.907 53 HE3 LYS 7 HE1 LYS 7 58.368 11.593 -6.840 54 HZ1 LYS 7 HZ1 LYS 7 60.192 10.105 -5.785 55 HZ2 LYS 7 HZ2 LYS 7 59.981 10.099 -7.471 56 HZ3 LYS 7 HZ3 LYS 7 59.357 8.831 -6.530 57 H HIS 8 HN HIS 8 56.863 13.154 -1.265 58 HA HIS 8 HA HIS 8 55.098 12.622 0.994 59 HB2 HIS 8 HB2 HIS 8 57.806 14.010 0.965 60 HB3 HIS 8 HB1 HIS 8 57.003 13.251 2.360 61 HD1 HIS 8 HD1 HIS 8 59.659 12.546 0.180 62 HD2 HIS 8 HD2 HIS 8 56.271 10.325 1.309 63 HE1 HIS 8 HE1 HIS 8 60.181 10.084 -0.261 64 H GLY 9 HN GLY 9 53.334 14.060 0.641 65 HA2 GLY 9 HA1 GLY 9 53.528 16.496 2.082 66 HA3 GLY 9 HA2 GLY 9 53.652 16.885 0.354 67 H ARG 10 HN ARG 10 51.953 15.007 -0.772 68 HA ARG 10 HA ARG 10 49.341 15.218 0.617 69 HB2 ARG 10 HB2 ARG 10 48.271 16.291 -1.383 70 HB3 ARG 10 HB1 ARG 10 49.361 17.372 -0.486 71 HG2 ARG 10 HG2 ARG 10 50.584 15.789 -2.758 72 HG3 ARG 10 HG1 ARG 10 49.472 17.099 -3.202 73 HD2 ARG 10 HD2 ARG 10 51.738 17.546 -1.229 74 HD3 ARG 10 HD1 ARG 10 51.975 17.702 -2.985 75 HE ARG 10 HE ARG 10 49.701 19.248 -2.352 76 HH11 ARG 10 HH11 ARG 10 49.893 21.135 -0.921 77 HH12 ARG 10 HH12 ARG 10 51.426 21.940 -0.921 78 HH21 ARG 10 HH21 ARG 10 53.054 19.402 -2.637 79 HH22 ARG 10 HH22 ARG 10 53.217 20.958 -1.894 80 H HIS 11 HN HIS 11 51.271 13.147 -0.401 81 HA HIS 11 HA HIS 11 49.232 11.435 -1.591 82 HB2 HIS 11 HB2 HIS 11 50.100 12.761 -3.587 83 HB3 HIS 11 HB1 HIS 11 51.687 12.011 -3.291 84 HD1 HIS 11 HD1 HIS 11 48.126 10.538 -3.243 85 HD2 HIS 11 HD2 HIS 11 51.874 9.883 -5.036 86 HE1 HIS 11 HE1 HIS 11 47.917 8.456 -4.708 87 H ALA 12 HN ALA 12 49.614 9.403 -1.595 88 HA ALA 12 HA ALA 12 50.467 7.389 -0.946 89 HB1 ALA 12 HB1 ALA 12 52.578 8.397 -1.921 90 HB2 ALA 12 HB2 ALA 12 52.781 7.149 -0.666 91 HB3 ALA 12 HB3 ALA 12 52.880 8.864 -0.256 92 H ALA 13 HN ALA 13 51.258 10.327 0.847 93 HA ALA 13 HA ALA 13 51.299 8.971 3.443 94 HB1 ALA 13 HB1 ALA 13 50.719 11.189 4.330 95 HB2 ALA 13 HB2 ALA 13 50.257 11.768 2.710 96 HB3 ALA 13 HB3 ALA 13 51.967 11.451 3.088 97 H LYS 14 HN LYS 14 49.980 9.022 0.550 98 HA LYS 14 HA LYS 14 47.038 8.527 1.499 99 HB2 LYS 14 HB2 LYS 14 47.784 10.358 -0.223 100 HB3 LYS 14 HB1 LYS 14 48.210 8.956 -1.273 101 HG2 LYS 14 HG2 LYS 14 45.972 8.542 -1.770 102 HG3 LYS 14 HG1 LYS 14 45.414 8.891 -0.119 103 HD2 LYS 14 HD2 LYS 14 45.460 11.278 -0.536 104 HD3 LYS 14 HD1 LYS 14 46.267 11.041 -2.105 105 HE2 LYS 14 HE2 LYS 14 44.310 9.931 -3.017 106 HE3 LYS 14 HE1 LYS 14 43.514 9.924 -1.425 107 HZ1 LYS 14 HZ1 LYS 14 43.577 11.978 -3.381 108 HZ2 LYS 14 HZ2 LYS 14 44.241 12.548 -1.924 109 HZ3 LYS 14 HZ3 LYS 14 42.673 11.893 -1.949 110 H HIS 15 HN HIS 15 46.089 7.257 -0.593 111 HA HIS 15 HA HIS 15 45.735 5.015 -1.175 112 HB2 HIS 15 HB2 HIS 15 46.994 6.166 -3.034 113 HB3 HIS 15 HB1 HIS 15 48.489 5.450 -2.385 114 HD1 HIS 15 HD1 HIS 15 45.102 3.696 -2.504 115 HD2 HIS 15 HD2 HIS 15 48.824 3.557 -4.455 116 HE1 HIS 15 HE1 HIS 15 45.131 1.583 -3.941 117 H ILE 16 HN ILE 16 47.410 5.474 1.359 118 HA ILE 16 HA ILE 16 47.696 2.924 2.144 119 HB ILE 16 HB ILE 16 49.442 2.350 0.633 120 HG12 ILE 16 HG12 ILE 16 51.154 3.146 3.006 121 HG13 ILE 16 HG11 ILE 16 49.825 1.996 3.263 122 HG21 ILE 16 HG21 ILE 16 51.546 3.844 0.522 123 HG22 ILE 16 HG22 ILE 16 50.612 5.057 1.398 124 HG23 ILE 16 HG23 ILE 16 50.092 4.548 -0.220 125 HD11 ILE 16 HD1 ILE 16 52.154 1.017 2.679 126 HD12 ILE 16 HD2 ILE 16 51.839 1.586 1.024 127 HD13 ILE 16 HD3 ILE 16 50.753 0.396 1.776 128 H GLY 17 HN GLY 17 49.084 5.931 2.180 129 HA2 GLY 17 HA1 GLY 17 49.536 5.867 5.093 130 HA3 GLY 17 HA2 GLY 17 49.715 7.275 4.027 131 H HIS 18 HN HIS 18 47.068 6.122 2.752 132 HA HIS 18 HA HIS 18 45.263 7.704 4.575 133 HB2 HIS 18 HB2 HIS 18 45.298 6.943 1.679 134 HB3 HIS 18 HB1 HIS 18 43.692 6.906 2.434 135 HD1 HIS 18 HD1 HIS 18 43.020 8.993 0.960 136 HD2 HIS 18 HD2 HIS 18 46.155 9.700 3.673 137 HE1 HIS 18 HE1 HIS 18 43.294 11.524 1.167 138 H ALA 19 HN ALA 19 45.599 4.441 3.060 139 HA ALA 19 HA ALA 19 44.757 2.939 5.246 140 HB1 ALA 19 HB1 ALA 19 42.253 2.501 4.405 141 HB2 ALA 19 HB2 ALA 19 42.408 4.166 3.798 142 HB3 ALA 19 HB3 ALA 19 42.612 3.826 5.534 143 H ALA 20 HN ALA 20 45.874 3.254 2.283 144 HA ALA 20 HA ALA 20 46.359 1.774 0.559 145 HB1 ALA 20 HB1 ALA 20 47.028 0.376 2.594 146 HB2 ALA 20 HB2 ALA 20 46.652 -0.527 1.107 147 HB3 ALA 20 HB3 ALA 20 45.459 -0.445 2.424 148 H VAL 21 HN VAL 21 43.482 2.600 1.530 149 HA VAL 21 HA VAL 21 42.088 1.231 -0.715 150 HB VAL 21 HB VAL 21 40.995 1.297 2.138 151 HG11 VAL 21 HG11 VAL 21 39.840 0.459 -0.550 152 HG12 VAL 21 HG12 VAL 21 39.131 1.530 0.683 153 HG13 VAL 21 HG13 VAL 21 39.211 -0.219 0.971 154 HG21 VAL 21 HG21 VAL 21 42.023 -0.987 0.391 155 HG22 VAL 21 HG22 VAL 21 41.101 -1.229 1.894 156 HG23 VAL 21 HG23 VAL 21 42.690 -0.440 1.946 157 H ASN 22 HN ASN 22 42.878 3.853 1.232 158 HA ASN 22 HA ASN 22 42.419 6.117 0.622 159 HB2 ASN 22 HB2 ASN 22 40.941 5.294 -1.342 160 HB3 ASN 22 HB1 ASN 22 39.585 5.372 -0.185 161 HD21 ASN 22 HD21 ASN 22 41.605 7.238 -2.319 162 HD22 ASN 22 HD22 ASN 22 41.007 8.827 -1.830 163 H HIS 23 HN HIS 23 40.108 3.918 2.108 164 HA HIS 23 HA HIS 23 39.910 5.756 4.455 165 HB2 HIS 23 HB2 HIS 23 37.536 4.687 2.879 166 HB3 HIS 23 HB1 HIS 23 37.419 5.374 4.516 167 HD1 HIS 23 HD1 HIS 23 39.051 7.832 4.516 168 HD2 HIS 23 HD2 HIS 23 36.755 6.712 1.179 169 HE1 HIS 23 HE1 HIS 23 38.688 9.929 3.102 170 H TYR 24 HN TYR 24 40.426 4.599 6.176 171 HA TYR 24 HA TYR 24 40.585 1.738 6.156 172 HB2 TYR 24 HB2 TYR 24 40.883 1.970 8.613 173 HB3 TYR 24 HB1 TYR 24 41.893 3.123 7.707 174 HD1 TYR 24 HD1 TYR 24 41.292 5.524 7.599 175 HD2 TYR 24 HD2 TYR 24 38.998 2.730 9.957 176 HE1 TYR 24 HE1 TYR 24 40.212 7.422 8.797 177 HE2 TYR 24 HE2 TYR 24 37.918 4.629 11.156 178 HH TYR 24 HH TYR 24 38.281 7.924 10.008 179 H LEU 25 HN LEU 25 37.908 3.714 6.103 180 HA LEU 25 HA LEU 25 35.672 3.387 6.600 181 HB2 LEU 25 HB2 LEU 25 35.872 1.522 5.076 182 HB3 LEU 25 HB1 LEU 25 36.607 0.503 6.331 183 HG LEU 25 HG LEU 25 34.528 0.411 7.580 184 HD11 LEU 25 HD11 LEU 25 33.633 2.550 5.609 185 HD12 LEU 25 HD12 LEU 25 33.603 2.599 7.388 186 HD13 LEU 25 HD13 LEU 25 32.456 1.564 6.510 187 HD21 LEU 25 HD21 LEU 25 33.903 0.103 4.611 188 HD22 LEU 25 HD22 LEU 25 33.093 -0.729 5.962 189 HD23 LEU 25 HD23 LEU 25 34.796 -1.090 5.585 Start of MODEL 90 1 H1 GLY 1 HT1 GLY 1 68.974 19.033 -6.183 2 H2 GLY 1 HT2 GLY 1 70.256 18.988 -5.070 3 H3 GLY 1 HT3 GLY 1 69.063 20.191 -4.950 4 HA2 GLY 1 HA1 GLY 1 68.898 17.334 -4.339 5 HA3 GLY 1 HA2 GLY 1 68.500 18.725 -3.311 6 H TRP 2 HN TRP 2 67.402 19.498 -6.326 7 HA TRP 2 HA TRP 2 65.241 19.692 -7.153 8 HB2 TRP 2 HB2 TRP 2 64.945 16.828 -6.166 9 HB3 TRP 2 HB1 TRP 2 64.041 17.614 -7.482 10 HD1 TRP 2 HD1 TRP 2 67.086 15.616 -6.828 11 HE1 TRP 2 HE1 TRP 2 68.603 15.486 -8.936 12 HE3 TRP 2 HE3 TRP 2 64.860 19.263 -9.650 13 HZ2 TRP 2 HZ2 TRP 2 68.795 16.803 -11.489 14 HZ3 TRP 2 HZ3 TRP 2 65.728 19.808 -11.919 15 HH2 TRP 2 HH2 TRP 2 67.691 18.583 -12.841 16 H GLY 3 HN GLY 3 62.876 18.242 -6.244 17 HA2 GLY 3 HA1 GLY 3 62.407 18.665 -3.460 18 HA3 GLY 3 HA2 GLY 3 61.894 20.110 -4.354 19 H SER 4 HN SER 4 61.617 17.623 -6.488 20 HA SER 4 HA SER 4 59.771 16.528 -7.365 21 HB2 SER 4 HB2 SER 4 60.129 15.240 -5.203 22 HB3 SER 4 HB1 SER 4 58.850 16.243 -4.484 23 HG SER 4 HG SER 4 58.661 14.538 -6.760 24 H ILE 5 HN ILE 5 57.367 16.545 -7.589 25 HA ILE 5 HA ILE 5 56.456 19.322 -7.574 26 HB ILE 5 HB ILE 5 54.743 16.872 -8.163 27 HG12 ILE 5 HG12 ILE 5 56.724 18.310 -9.991 28 HG13 ILE 5 HG11 ILE 5 56.858 16.635 -9.410 29 HG21 ILE 5 HG21 ILE 5 54.736 19.617 -9.484 30 HG22 ILE 5 HG22 ILE 5 53.802 19.281 -8.007 31 HG23 ILE 5 HG23 ILE 5 53.459 18.377 -9.501 32 HD11 ILE 5 HD1 ILE 5 54.536 16.260 -10.506 33 HD12 ILE 5 HD2 ILE 5 55.935 16.434 -11.591 34 HD13 ILE 5 HD3 ILE 5 54.827 17.803 -11.344 35 H PHE 6 HN PHE 6 55.638 16.319 -5.821 36 HA PHE 6 HA PHE 6 54.724 17.845 -3.518 37 HB2 PHE 6 HB2 PHE 6 52.379 17.005 -3.553 38 HB3 PHE 6 HB1 PHE 6 52.719 18.138 -4.882 39 HD1 PHE 6 HD1 PHE 6 52.577 17.432 -7.177 40 HD2 PHE 6 HD2 PHE 6 52.402 14.513 -4.004 41 HE1 PHE 6 HE1 PHE 6 51.914 15.684 -8.823 42 HE2 PHE 6 HE2 PHE 6 51.740 12.765 -5.649 43 HZ PHE 6 HZ PHE 6 51.466 13.356 -8.055 44 H LYS 7 HN LYS 7 55.679 15.045 -5.173 45 HA LYS 7 HA LYS 7 54.805 12.999 -3.377 46 HB2 LYS 7 HB2 LYS 7 55.868 12.738 -5.693 47 HB3 LYS 7 HB1 LYS 7 57.436 13.020 -4.901 48 HG2 LYS 7 HG2 LYS 7 57.156 11.069 -3.487 49 HG3 LYS 7 HG1 LYS 7 55.475 10.849 -4.032 50 HD2 LYS 7 HD2 LYS 7 56.294 10.464 -6.351 51 HD3 LYS 7 HD1 LYS 7 57.970 10.633 -5.774 52 HE2 LYS 7 HE2 LYS 7 57.708 8.702 -4.299 53 HE3 LYS 7 HE1 LYS 7 55.984 8.572 -4.723 54 HZ1 LYS 7 HZ1 LYS 7 57.487 8.623 -7.093 55 HZ2 LYS 7 HZ2 LYS 7 56.544 7.355 -6.469 56 HZ3 LYS 7 HZ3 LYS 7 58.190 7.474 -6.061 57 H HIS 8 HN HIS 8 56.838 15.632 -2.836 58 HA HIS 8 HA HIS 8 58.856 14.487 -1.171 59 HB2 HIS 8 HB2 HIS 8 58.938 16.806 -2.025 60 HB3 HIS 8 HB1 HIS 8 57.555 17.232 -0.989 61 HD1 HIS 8 HD1 HIS 8 61.220 16.223 -0.846 62 HD2 HIS 8 HD2 HIS 8 58.183 17.502 1.767 63 HE1 HIS 8 HE1 HIS 8 62.326 16.802 1.384 64 H GLY 9 HN GLY 9 55.580 14.346 -0.788 65 HA2 GLY 9 HA1 GLY 9 55.274 13.000 1.477 66 HA3 GLY 9 HA2 GLY 9 55.626 14.589 2.188 67 H ARG 10 HN ARG 10 53.584 13.259 -0.466 68 HA ARG 10 HA ARG 10 51.164 14.221 0.864 69 HB2 ARG 10 HB2 ARG 10 52.298 16.274 -0.312 70 HB3 ARG 10 HB1 ARG 10 51.745 15.514 -1.822 71 HG2 ARG 10 HG2 ARG 10 49.409 15.403 -0.725 72 HG3 ARG 10 HG1 ARG 10 50.061 16.493 0.521 73 HD2 ARG 10 HD2 ARG 10 50.729 18.093 -1.307 74 HD3 ARG 10 HD1 ARG 10 49.908 17.031 -2.477 75 HE ARG 10 HE ARG 10 47.842 17.872 -1.690 76 HH11 ARG 10 HH11 ARG 10 46.734 17.995 0.493 77 HH12 ARG 10 HH12 ARG 10 47.372 19.217 1.541 78 HH21 ARG 10 HH21 ARG 10 50.256 19.687 -0.327 79 HH22 ARG 10 HH22 ARG 10 49.366 20.176 1.078 80 H HIS 11 HN HIS 11 52.269 11.733 -0.149 81 HA HIS 11 HA HIS 11 49.925 10.783 -1.514 82 HB2 HIS 11 HB2 HIS 11 51.093 11.968 -3.430 83 HB3 HIS 11 HB1 HIS 11 52.439 10.822 -3.225 84 HD1 HIS 11 HD1 HIS 11 51.957 8.271 -3.704 85 HD2 HIS 11 HD2 HIS 11 48.858 10.909 -4.757 86 HE1 HIS 11 HE1 HIS 11 50.316 6.972 -5.171 87 H ALA 12 HN ALA 12 49.714 8.733 -1.624 88 HA ALA 12 HA ALA 12 49.988 6.517 -1.134 89 HB1 ALA 12 HB1 ALA 12 52.736 7.212 -0.469 90 HB2 ALA 12 HB2 ALA 12 52.260 6.966 -2.153 91 HB3 ALA 12 HB3 ALA 12 52.159 5.634 -0.973 92 H ALA 13 HN ALA 13 51.617 8.995 0.777 93 HA ALA 13 HA ALA 13 51.349 7.528 3.295 94 HB1 ALA 13 HB1 ALA 13 51.328 9.824 4.286 95 HB2 ALA 13 HB2 ALA 13 51.205 10.536 2.660 96 HB3 ALA 13 HB3 ALA 13 52.690 9.687 3.151 97 H LYS 14 HN LYS 14 50.021 8.128 0.463 98 HA LYS 14 HA LYS 14 47.087 8.413 1.510 99 HB2 LYS 14 HB2 LYS 14 48.257 10.066 -0.151 100 HB3 LYS 14 HB1 LYS 14 48.251 8.665 -1.285 101 HG2 LYS 14 HG2 LYS 14 45.974 8.901 -1.707 102 HG3 LYS 14 HG1 LYS 14 45.579 9.297 -0.019 103 HD2 LYS 14 HD2 LYS 14 46.240 11.602 -0.326 104 HD3 LYS 14 HD1 LYS 14 46.944 11.248 -1.922 105 HE2 LYS 14 HE2 LYS 14 44.724 12.296 -2.178 106 HE3 LYS 14 HE1 LYS 14 44.686 10.616 -2.762 107 HZ1 LYS 14 HZ1 LYS 14 42.828 10.714 -1.433 108 HZ2 LYS 14 HZ2 LYS 14 43.536 11.763 -0.300 109 HZ3 LYS 14 HZ3 LYS 14 43.974 10.122 -0.332 110 H HIS 15 HN HIS 15 45.762 7.578 -0.602 111 HA HIS 15 HA HIS 15 44.780 5.563 -1.284 112 HB2 HIS 15 HB2 HIS 15 46.213 6.402 -3.147 113 HB3 HIS 15 HB1 HIS 15 47.526 5.350 -2.570 114 HD1 HIS 15 HD1 HIS 15 47.642 3.389 -4.110 115 HD2 HIS 15 HD2 HIS 15 43.681 4.386 -3.109 116 HE1 HIS 15 HE1 HIS 15 46.120 1.648 -5.197 117 H ILE 16 HN ILE 16 46.593 5.389 1.201 118 HA ILE 16 HA ILE 16 46.168 2.817 1.843 119 HB ILE 16 HB ILE 16 47.637 1.866 0.238 120 HG12 ILE 16 HG12 ILE 16 49.421 2.120 2.690 121 HG13 ILE 16 HG11 ILE 16 47.944 1.132 2.698 122 HG21 ILE 16 HG21 ILE 16 50.058 2.716 0.068 123 HG22 ILE 16 HG22 ILE 16 49.560 4.082 1.068 124 HG23 ILE 16 HG23 ILE 16 48.844 3.859 -0.538 125 HD11 ILE 16 HD1 ILE 16 50.515 0.707 1.144 126 HD12 ILE 16 HD2 ILE 16 48.990 0.032 0.523 127 HD13 ILE 16 HD3 ILE 16 49.590 -0.449 2.124 128 H GLY 17 HN GLY 17 48.390 5.272 1.967 129 HA2 GLY 17 HA1 GLY 17 48.886 4.922 4.845 130 HA3 GLY 17 HA2 GLY 17 49.405 6.293 3.845 131 H HIS 18 HN HIS 18 46.525 6.014 2.643 132 HA HIS 18 HA HIS 18 45.280 7.907 4.627 133 HB2 HIS 18 HB2 HIS 18 45.003 7.335 1.703 134 HB3 HIS 18 HB1 HIS 18 43.471 7.677 2.528 135 HD1 HIS 18 HD1 HIS 18 46.691 9.285 3.704 136 HD2 HIS 18 HD2 HIS 18 43.255 10.309 1.508 137 HE1 HIS 18 HE1 HIS 18 46.733 11.816 3.359 138 H ALA 19 HN ALA 19 44.587 4.799 2.908 139 HA ALA 19 HA ALA 19 43.460 3.448 5.087 140 HB1 ALA 19 HB1 ALA 19 41.680 4.960 5.459 141 HB2 ALA 19 HB2 ALA 19 40.933 3.717 4.441 142 HB3 ALA 19 HB3 ALA 19 41.450 5.259 3.720 143 H ALA 20 HN ALA 20 44.487 3.655 2.058 144 HA ALA 20 HA ALA 20 44.469 2.208 0.242 145 HB1 ALA 20 HB1 ALA 20 44.791 0.541 2.176 146 HB2 ALA 20 HB2 ALA 20 44.159 -0.112 0.646 147 HB3 ALA 20 HB3 ALA 20 43.055 0.185 2.010 148 H VAL 21 HN VAL 21 42.014 3.745 1.453 149 HA VAL 21 HA VAL 21 40.141 2.962 -0.732 150 HB VAL 21 HB VAL 21 39.347 3.228 2.208 151 HG11 VAL 21 HG11 VAL 21 37.565 4.201 0.973 152 HG12 VAL 21 HG12 VAL 21 37.056 2.512 1.177 153 HG13 VAL 21 HG13 VAL 21 37.746 3.051 -0.374 154 HG21 VAL 21 HG21 VAL 21 39.296 0.876 0.260 155 HG22 VAL 21 HG22 VAL 21 38.573 0.857 1.886 156 HG23 VAL 21 HG23 VAL 21 40.331 1.038 1.697 157 H ASN 22 HN ASN 22 41.817 5.163 1.184 158 HA ASN 22 HA ASN 22 42.068 7.466 0.626 159 HB2 ASN 22 HB2 ASN 22 40.335 7.166 -1.282 160 HB3 ASN 22 HB1 ASN 22 39.121 7.671 -0.078 161 HD21 ASN 22 HD21 ASN 22 41.577 8.790 -2.284 162 HD22 ASN 22 HD22 ASN 22 41.533 10.487 -1.794 163 H HIS 23 HN HIS 23 39.235 6.108 2.201 164 HA HIS 23 HA HIS 23 38.503 6.426 4.391 165 HB2 HIS 23 HB2 HIS 23 40.973 7.278 4.815 166 HB3 HIS 23 HB1 HIS 23 40.236 8.892 4.782 167 HD1 HIS 23 HD1 HIS 23 40.582 5.810 6.865 168 HD2 HIS 23 HD2 HIS 23 38.320 9.355 6.899 169 HE1 HIS 23 HE1 HIS 23 39.492 5.997 9.170 170 H TYR 24 HN TYR 24 37.153 7.354 2.177 171 HA TYR 24 HA TYR 24 36.433 10.137 2.375 172 HB2 TYR 24 HB2 TYR 24 34.538 9.530 0.933 173 HB3 TYR 24 HB1 TYR 24 36.036 8.762 0.352 174 HD1 TYR 24 HD1 TYR 24 32.872 8.184 2.253 175 HD2 TYR 24 HD2 TYR 24 36.286 6.363 0.340 176 HE1 TYR 24 HE1 TYR 24 31.796 5.946 2.460 177 HE2 TYR 24 HE2 TYR 24 35.210 4.126 0.548 178 HH TYR 24 HH TYR 24 33.223 3.074 0.958 179 H LEU 25 HN LEU 25 35.330 7.199 3.987 180 HA LEU 25 HA LEU 25 32.855 8.204 4.983 181 HB2 LEU 25 HB2 LEU 25 32.858 6.355 6.468 182 HB3 LEU 25 HB1 LEU 25 33.747 5.795 5.038 183 HG LEU 25 HG LEU 25 34.932 6.712 7.700 184 HD11 LEU 25 HD11 LEU 25 34.043 4.418 7.673 185 HD12 LEU 25 HD12 LEU 25 35.822 4.388 7.710 186 HD13 LEU 25 HD13 LEU 25 34.957 4.065 6.188 187 HD21 LEU 25 HD21 LEU 25 36.246 6.050 5.029 188 HD22 LEU 25 HD22 LEU 25 37.127 6.020 6.574 189 HD23 LEU 25 HD23 LEU 25 36.420 7.541 5.986 Start of MODEL 91 1 H1 GLY 1 HT1 GLY 1 55.866 18.571 14.561 2 H2 GLY 1 HT2 GLY 1 54.828 18.422 13.224 3 H3 GLY 1 HT3 GLY 1 54.997 19.918 14.013 4 HA2 GLY 1 HA1 GLY 1 57.034 20.331 13.164 5 HA3 GLY 1 HA2 GLY 1 57.338 18.607 12.873 6 H TRP 2 HN TRP 2 55.215 21.312 11.875 7 HA TRP 2 HA TRP 2 54.241 21.766 9.817 8 HB2 TRP 2 HB2 TRP 2 56.725 20.354 8.764 9 HB3 TRP 2 HB1 TRP 2 55.685 21.480 7.858 10 HD1 TRP 2 HD1 TRP 2 58.241 21.367 10.705 11 HE1 TRP 2 HE1 TRP 2 59.116 23.768 11.187 12 HE3 TRP 2 HE3 TRP 2 55.078 24.002 7.663 13 HZ2 TRP 2 HZ2 TRP 2 58.500 26.452 10.346 14 HZ3 TRP 2 HZ3 TRP 2 55.241 26.483 7.518 15 HH2 TRP 2 HH2 TRP 2 56.947 27.709 8.856 16 H GLY 3 HN GLY 3 54.251 20.448 7.367 17 HA2 GLY 3 HA1 GLY 3 53.632 17.640 7.655 18 HA3 GLY 3 HA2 GLY 3 52.151 18.619 7.644 19 H SER 4 HN SER 4 54.585 20.187 5.932 20 HA SER 4 HA SER 4 54.868 20.580 3.666 21 HB2 SER 4 HB2 SER 4 55.630 18.135 3.858 22 HB3 SER 4 HB1 SER 4 54.034 17.692 3.211 23 HG SER 4 HG SER 4 56.191 18.516 1.892 24 H ILE 5 HN ILE 5 53.336 18.898 1.619 25 HA ILE 5 HA ILE 5 50.532 19.663 2.045 26 HB ILE 5 HB ILE 5 51.563 21.836 1.313 27 HG12 ILE 5 HG12 ILE 5 49.762 20.528 -0.782 28 HG13 ILE 5 HG11 ILE 5 49.196 21.193 0.767 29 HG21 ILE 5 HG21 ILE 5 53.337 20.644 -0.117 30 HG22 ILE 5 HG22 ILE 5 52.568 22.070 -0.851 31 HG23 ILE 5 HG23 ILE 5 52.065 20.434 -1.343 32 HD11 ILE 5 HD1 ILE 5 48.837 22.945 -0.801 33 HD12 ILE 5 HD2 ILE 5 50.405 22.674 -1.593 34 HD13 ILE 5 HD3 ILE 5 50.342 23.403 0.029 35 H PHE 6 HN PHE 6 53.137 18.585 -0.116 36 HA PHE 6 HA PHE 6 51.259 17.179 -1.901 37 HB2 PHE 6 HB2 PHE 6 54.282 16.878 -1.743 38 HB3 PHE 6 HB1 PHE 6 53.215 16.516 -3.122 39 HD1 PHE 6 HD1 PHE 6 55.125 19.093 -1.396 40 HD2 PHE 6 HD2 PHE 6 51.939 18.424 -4.231 41 HE1 PHE 6 HE1 PHE 6 55.355 21.437 -2.209 42 HE2 PHE 6 HE2 PHE 6 52.170 20.767 -5.043 43 HZ PHE 6 HZ PHE 6 53.838 22.290 -3.992 44 H LYS 7 HN LYS 7 50.389 16.140 0.228 45 HA LYS 7 HA LYS 7 50.232 14.281 1.608 46 HB2 LYS 7 HB2 LYS 7 51.495 12.674 -0.623 47 HB3 LYS 7 HB1 LYS 7 50.140 12.244 0.443 48 HG2 LYS 7 HG2 LYS 7 50.114 14.346 -1.769 49 HG3 LYS 7 HG1 LYS 7 49.284 12.773 -1.786 50 HD2 LYS 7 HD2 LYS 7 48.046 13.537 0.318 51 HD3 LYS 7 HD1 LYS 7 48.710 15.160 0.016 52 HE2 LYS 7 HE2 LYS 7 47.681 15.154 -2.246 53 HE3 LYS 7 HE1 LYS 7 46.989 13.547 -1.917 54 HZ1 LYS 7 HZ1 LYS 7 45.269 14.644 -1.066 55 HZ2 LYS 7 HZ2 LYS 7 46.092 16.130 -1.058 56 HZ3 LYS 7 HZ3 LYS 7 46.265 15.053 0.245 57 H HIS 8 HN HIS 8 52.820 15.783 1.736 58 HA HIS 8 HA HIS 8 54.940 15.513 2.658 59 HB2 HIS 8 HB2 HIS 8 53.500 14.821 4.564 60 HB3 HIS 8 HB1 HIS 8 53.609 13.132 4.008 61 HD1 HIS 8 HD1 HIS 8 56.007 16.008 4.919 62 HD2 HIS 8 HD2 HIS 8 55.740 11.817 5.158 63 HE1 HIS 8 HE1 HIS 8 58.102 15.179 6.123 64 H GLY 9 HN GLY 9 53.967 13.703 0.264 65 HA2 GLY 9 HA1 GLY 9 56.543 12.551 -0.266 66 HA3 GLY 9 HA2 GLY 9 55.417 11.286 0.270 67 H ARG 10 HN ARG 10 53.245 13.150 -0.865 68 HA ARG 10 HA ARG 10 52.039 13.355 -2.809 69 HB2 ARG 10 HB2 ARG 10 54.230 14.418 -3.606 70 HB3 ARG 10 HB1 ARG 10 54.602 12.853 -4.365 71 HG2 ARG 10 HG2 ARG 10 52.643 12.974 -5.772 72 HG3 ARG 10 HG1 ARG 10 52.022 14.391 -4.893 73 HD2 ARG 10 HD2 ARG 10 53.142 14.949 -7.092 74 HD3 ARG 10 HD1 ARG 10 53.850 15.772 -5.679 75 HE ARG 10 HE ARG 10 55.217 13.276 -6.215 76 HH11 ARG 10 HH11 ARG 10 54.862 15.075 -8.784 77 HH12 ARG 10 HH12 ARG 10 56.416 15.840 -8.804 78 HH21 ARG 10 HH21 ARG 10 57.220 14.889 -5.567 79 HH22 ARG 10 HH22 ARG 10 57.751 15.734 -6.983 80 H HIS 11 HN HIS 11 50.748 11.662 -2.621 81 HA HIS 11 HA HIS 11 49.786 9.673 -3.263 82 HB2 HIS 11 HB2 HIS 11 51.989 9.225 -5.294 83 HB3 HIS 11 HB1 HIS 11 50.279 8.737 -5.376 84 HD1 HIS 11 HD1 HIS 11 49.588 11.828 -4.181 85 HD2 HIS 11 HD2 HIS 11 51.356 10.651 -7.809 86 HE1 HIS 11 HE1 HIS 11 49.305 13.761 -5.829 87 H ALA 12 HN ALA 12 49.684 7.754 -2.728 88 HA ALA 12 HA ALA 12 50.092 5.792 -1.706 89 HB1 ALA 12 HB1 ALA 12 52.901 6.494 -2.020 90 HB2 ALA 12 HB2 ALA 12 51.979 5.800 -3.360 91 HB3 ALA 12 HB3 ALA 12 52.265 4.862 -1.871 92 H ALA 13 HN ALA 13 52.200 8.532 -0.954 93 HA ALA 13 HA ALA 13 52.573 7.725 1.834 94 HB1 ALA 13 HB1 ALA 13 52.655 10.286 2.138 95 HB2 ALA 13 HB2 ALA 13 52.479 10.425 0.372 96 HB3 ALA 13 HB3 ALA 13 53.917 9.639 1.065 97 H LYS 14 HN LYS 14 50.556 7.783 -0.653 98 HA LYS 14 HA LYS 14 48.013 8.551 0.995 99 HB2 LYS 14 HB2 LYS 14 48.758 9.631 -1.272 100 HB3 LYS 14 HB1 LYS 14 48.427 7.990 -1.959 101 HG2 LYS 14 HG2 LYS 14 46.124 8.326 -1.871 102 HG3 LYS 14 HG1 LYS 14 46.182 9.160 -0.301 103 HD2 LYS 14 HD2 LYS 14 46.801 11.248 -1.350 104 HD3 LYS 14 HD1 LYS 14 47.060 10.450 -2.919 105 HE2 LYS 14 HE2 LYS 14 44.859 11.651 -2.784 106 HE3 LYS 14 HE1 LYS 14 44.680 9.906 -3.086 107 HZ1 LYS 14 HZ1 LYS 14 43.226 10.948 -1.295 108 HZ2 LYS 14 HZ2 LYS 14 44.629 11.024 -0.342 109 HZ3 LYS 14 HZ3 LYS 14 44.050 9.523 -0.888 110 H HIS 15 HN HIS 15 46.165 7.345 -0.438 111 HA HIS 15 HA HIS 15 44.989 5.324 -0.300 112 HB2 HIS 15 HB2 HIS 15 47.273 4.494 -2.124 113 HB3 HIS 15 HB1 HIS 15 45.595 3.898 -2.143 114 HD1 HIS 15 HD1 HIS 15 47.750 6.288 -3.781 115 HD2 HIS 15 HD2 HIS 15 43.696 6.220 -2.660 116 HE1 HIS 15 HE1 HIS 15 46.560 8.111 -5.119 117 H ILE 16 HN ILE 16 47.354 5.594 1.622 118 HA ILE 16 HA ILE 16 47.073 3.303 2.979 119 HB ILE 16 HB ILE 16 48.054 1.870 1.344 120 HG12 ILE 16 HG12 ILE 16 50.134 1.061 2.370 121 HG13 ILE 16 HG11 ILE 16 50.277 2.555 3.318 122 HG21 ILE 16 HG21 ILE 16 49.079 3.486 -0.172 123 HG22 ILE 16 HG22 ILE 16 50.376 2.416 0.408 124 HG23 ILE 16 HG23 ILE 16 50.187 4.028 1.104 125 HD11 ILE 16 HD1 ILE 16 47.831 0.744 3.458 126 HD12 ILE 16 HD2 ILE 16 48.292 2.044 4.581 127 HD13 ILE 16 HD3 ILE 16 49.237 0.540 4.527 128 H GLY 17 HN GLY 17 49.361 5.451 1.915 129 HA2 GLY 17 HA1 GLY 17 50.543 5.805 4.576 130 HA3 GLY 17 HA2 GLY 17 50.823 6.834 3.159 131 H HIS 18 HN HIS 18 47.719 6.550 2.803 132 HA HIS 18 HA HIS 18 47.087 8.973 4.475 133 HB2 HIS 18 HB2 HIS 18 46.039 7.730 1.964 134 HB3 HIS 18 HB1 HIS 18 44.780 8.384 3.028 135 HD1 HIS 18 HD1 HIS 18 44.317 10.277 1.254 136 HD2 HIS 18 HD2 HIS 18 48.197 10.323 2.874 137 HE1 HIS 18 HE1 HIS 18 45.345 12.552 0.709 138 H ALA 19 HN ALA 19 45.884 5.628 3.835 139 HA ALA 19 HA ALA 19 45.361 4.886 6.462 140 HB1 ALA 19 HB1 ALA 19 43.838 6.564 7.047 141 HB2 ALA 19 HB2 ALA 19 42.724 5.331 6.418 142 HB3 ALA 19 HB3 ALA 19 43.204 6.703 5.391 143 H ALA 20 HN ALA 20 45.557 4.300 3.374 144 HA ALA 20 HA ALA 20 44.999 2.507 2.017 145 HB1 ALA 20 HB1 ALA 20 45.612 1.286 4.191 146 HB2 ALA 20 HB2 ALA 20 44.595 0.399 3.030 147 HB3 ALA 20 HB3 ALA 20 43.864 1.139 4.474 148 H VAL 21 HN VAL 21 42.939 4.551 3.352 149 HA VAL 21 HA VAL 21 40.616 3.515 1.775 150 HB VAL 21 HB VAL 21 40.407 4.545 4.644 151 HG11 VAL 21 HG11 VAL 21 38.424 5.207 3.510 152 HG12 VAL 21 HG12 VAL 21 37.980 3.661 4.264 153 HG13 VAL 21 HG13 VAL 21 38.377 3.723 2.531 154 HG21 VAL 21 HG21 VAL 21 39.621 2.208 5.130 155 HG22 VAL 21 HG22 VAL 21 41.314 2.263 4.592 156 HG23 VAL 21 HG23 VAL 21 40.041 1.752 3.461 157 H ASN 22 HN ASN 22 42.763 5.887 2.761 158 HA ASN 22 HA ASN 22 42.976 7.965 1.560 159 HB2 ASN 22 HB2 ASN 22 40.756 7.606 0.335 160 HB3 ASN 22 HB1 ASN 22 39.966 8.348 1.751 161 HD21 ASN 22 HD21 ASN 22 41.467 9.031 -1.258 162 HD22 ASN 22 HD22 ASN 22 41.718 10.761 -0.999 163 H HIS 23 HN HIS 23 40.713 7.297 4.189 164 HA HIS 23 HA HIS 23 42.185 8.981 6.009 165 HB2 HIS 23 HB2 HIS 23 41.032 10.766 4.695 166 HB3 HIS 23 HB1 HIS 23 39.467 10.049 5.143 167 HD1 HIS 23 HD1 HIS 23 42.665 11.080 7.040 168 HD2 HIS 23 HD2 HIS 23 38.480 11.220 7.433 169 HE1 HIS 23 HE1 HIS 23 42.144 12.317 9.214 170 H TYR 24 HN TYR 24 38.972 9.424 6.795 171 HA TYR 24 HA TYR 24 37.671 8.439 8.450 172 HB2 TYR 24 HB2 TYR 24 38.537 5.944 6.936 173 HB3 TYR 24 HB1 TYR 24 37.210 6.007 8.122 174 HD1 TYR 24 HD1 TYR 24 38.383 7.228 4.802 175 HD2 TYR 24 HD2 TYR 24 35.084 7.043 7.580 176 HE1 TYR 24 HE1 TYR 24 36.840 8.052 3.026 177 HE2 TYR 24 HE2 TYR 24 33.543 7.868 5.805 178 HH TYR 24 HH TYR 24 33.950 9.364 3.568 179 H LEU 25 HN LEU 25 40.814 8.501 8.660 180 HA LEU 25 HA LEU 25 40.880 7.503 11.367 181 HB2 LEU 25 HB2 LEU 25 40.983 5.302 10.393 182 HB3 LEU 25 HB1 LEU 25 42.191 5.818 9.197 183 HG LEU 25 HG LEU 25 43.888 6.078 10.906 184 HD11 LEU 25 HD11 LEU 25 42.725 7.040 12.755 185 HD12 LEU 25 HD12 LEU 25 43.245 5.442 13.338 186 HD13 LEU 25 HD13 LEU 25 41.559 5.699 12.829 187 HD21 LEU 25 HD21 LEU 25 42.280 3.537 11.428 188 HD22 LEU 25 HD22 LEU 25 44.006 3.773 11.796 189 HD23 LEU 25 HD23 LEU 25 43.448 3.769 10.105 Start of MODEL 92 1 H1 GLY 1 HT1 GLY 1 64.119 10.471 1.698 2 H2 GLY 1 HT2 GLY 1 65.507 9.561 2.061 3 H3 GLY 1 HT3 GLY 1 65.534 10.693 0.794 4 HA2 GLY 1 HA1 GLY 1 65.005 11.433 3.584 5 HA3 GLY 1 HA2 GLY 1 66.642 11.358 2.905 6 H TRP 2 HN TRP 2 65.520 12.156 0.207 7 HA TRP 2 HA TRP 2 65.937 15.005 0.553 8 HB2 TRP 2 HB2 TRP 2 64.912 13.420 -1.838 9 HB3 TRP 2 HB1 TRP 2 65.446 15.118 -1.873 10 HD1 TRP 2 HD1 TRP 2 66.817 11.592 -1.090 11 HE1 TRP 2 HE1 TRP 2 69.381 11.558 -1.528 12 HE3 TRP 2 HE3 TRP 2 67.514 16.543 -2.191 13 HZ2 TRP 2 HZ2 TRP 2 71.429 13.446 -2.257 14 HZ3 TRP 2 HZ3 TRP 2 69.781 17.404 -2.754 15 HH2 TRP 2 HH2 TRP 2 71.737 15.863 -2.788 16 H GLY 3 HN GLY 3 63.157 12.895 0.522 17 HA2 GLY 3 HA1 GLY 3 60.939 13.374 0.996 18 HA3 GLY 3 HA2 GLY 3 61.427 15.029 1.410 19 H SER 4 HN SER 4 62.586 14.309 -1.644 20 HA SER 4 HA SER 4 61.974 15.125 -3.731 21 HB2 SER 4 HB2 SER 4 60.461 13.230 -3.725 22 HB3 SER 4 HB1 SER 4 59.275 14.123 -2.746 23 HG SER 4 HG SER 4 59.769 14.200 -5.441 24 H ILE 5 HN ILE 5 60.058 16.509 -4.870 25 HA ILE 5 HA ILE 5 60.246 19.101 -3.554 26 HB ILE 5 HB ILE 5 58.438 18.436 -5.916 27 HG12 ILE 5 HG12 ILE 5 61.450 18.948 -5.899 28 HG13 ILE 5 HG11 ILE 5 60.642 17.434 -6.370 29 HG21 ILE 5 HG21 ILE 5 58.480 20.738 -4.721 30 HG22 ILE 5 HG22 ILE 5 58.718 20.734 -6.483 31 HG23 ILE 5 HG23 ILE 5 60.115 20.923 -5.396 32 HD11 ILE 5 HD1 ILE 5 61.099 18.539 -8.429 33 HD12 ILE 5 HD2 ILE 5 60.592 20.119 -7.791 34 HD13 ILE 5 HD3 ILE 5 59.375 18.861 -8.124 35 H PHE 6 HN PHE 6 57.613 16.773 -4.236 36 HA PHE 6 HA PHE 6 56.144 17.709 -1.873 37 HB2 PHE 6 HB2 PHE 6 55.118 18.275 -4.682 38 HB3 PHE 6 HB1 PHE 6 54.045 18.189 -3.266 39 HD1 PHE 6 HD1 PHE 6 54.898 19.589 -1.144 40 HD2 PHE 6 HD2 PHE 6 56.011 20.394 -5.240 41 HE1 PHE 6 HE1 PHE 6 55.472 21.933 -0.530 42 HE2 PHE 6 HE2 PHE 6 56.585 22.737 -4.621 43 HZ PHE 6 HZ PHE 6 56.358 23.493 -2.259 44 H LYS 7 HN LYS 7 56.892 15.523 -4.386 45 HA LYS 7 HA LYS 7 54.685 13.798 -4.495 46 HB2 LYS 7 HB2 LYS 7 57.619 12.993 -4.361 47 HB3 LYS 7 HB1 LYS 7 56.287 12.020 -5.030 48 HG2 LYS 7 HG2 LYS 7 55.852 13.756 -6.730 49 HG3 LYS 7 HG1 LYS 7 57.157 14.758 -6.052 50 HD2 LYS 7 HD2 LYS 7 58.808 13.011 -6.574 51 HD3 LYS 7 HD1 LYS 7 57.517 11.953 -7.193 52 HE2 LYS 7 HE2 LYS 7 58.625 13.080 -9.071 53 HE3 LYS 7 HE1 LYS 7 56.960 13.688 -8.908 54 HZ1 LYS 7 HZ1 LYS 7 58.926 15.343 -9.161 55 HZ2 LYS 7 HZ2 LYS 7 59.156 15.063 -7.501 56 HZ3 LYS 7 HZ3 LYS 7 57.678 15.684 -8.065 57 H HIS 8 HN HIS 8 57.511 13.399 -2.299 58 HA HIS 8 HA HIS 8 56.022 11.502 -0.635 59 HB2 HIS 8 HB2 HIS 8 58.500 11.396 -1.009 60 HB3 HIS 8 HB1 HIS 8 58.666 12.902 -0.075 61 HD1 HIS 8 HD1 HIS 8 55.944 10.706 1.130 62 HD2 HIS 8 HD2 HIS 8 60.039 11.244 1.924 63 HE1 HIS 8 HE1 HIS 8 56.464 9.485 3.313 64 H GLY 9 HN GLY 9 54.290 13.394 -0.538 65 HA2 GLY 9 HA1 GLY 9 54.249 14.242 2.204 66 HA3 GLY 9 HA2 GLY 9 54.675 15.613 1.162 67 H ARG 10 HN ARG 10 52.986 13.981 -0.951 68 HA ARG 10 HA ARG 10 50.261 14.722 0.077 69 HB2 ARG 10 HB2 ARG 10 51.452 15.574 -2.598 70 HB3 ARG 10 HB1 ARG 10 49.757 15.794 -2.103 71 HG2 ARG 10 HG2 ARG 10 50.495 17.170 -0.177 72 HG3 ARG 10 HG1 ARG 10 52.189 16.959 -0.679 73 HD2 ARG 10 HD2 ARG 10 51.288 19.125 -1.478 74 HD3 ARG 10 HD1 ARG 10 51.690 18.054 -2.842 75 HE ARG 10 HE ARG 10 49.405 18.085 -3.410 76 HH11 ARG 10 HH11 ARG 10 49.902 19.501 -0.339 77 HH12 ARG 10 HH12 ARG 10 48.221 19.541 0.077 78 HH21 ARG 10 HH21 ARG 10 47.202 17.847 -2.773 79 HH22 ARG 10 HH22 ARG 10 46.693 18.603 -1.300 80 H HIS 11 HN HIS 11 52.077 12.292 -0.705 81 HA HIS 11 HA HIS 11 49.851 10.747 -1.818 82 HB2 HIS 11 HB2 HIS 11 52.397 11.170 -3.434 83 HB3 HIS 11 HB1 HIS 11 51.231 9.859 -3.738 84 HD1 HIS 11 HD1 HIS 11 48.854 10.510 -4.626 85 HD2 HIS 11 HD2 HIS 11 51.563 13.711 -4.328 86 HE1 HIS 11 HE1 HIS 11 47.834 12.490 -5.877 87 H ALA 12 HN ALA 12 49.949 8.700 -1.570 88 HA ALA 12 HA ALA 12 50.513 6.672 -0.684 89 HB1 ALA 12 HB1 ALA 12 52.764 6.177 -0.257 90 HB2 ALA 12 HB2 ALA 12 53.064 7.897 -0.004 91 HB3 ALA 12 HB3 ALA 12 52.775 7.296 -1.639 92 H ALA 13 HN ALA 13 51.599 9.669 0.824 93 HA ALA 13 HA ALA 13 51.351 8.632 3.553 94 HB1 ALA 13 HB1 ALA 13 52.321 10.855 3.441 95 HB2 ALA 13 HB2 ALA 13 50.626 11.136 3.909 96 HB3 ALA 13 HB3 ALA 13 51.138 11.384 2.222 97 H LYS 14 HN LYS 14 50.178 8.510 0.601 98 HA LYS 14 HA LYS 14 47.161 8.494 1.425 99 HB2 LYS 14 HB2 LYS 14 48.198 10.011 -0.443 100 HB3 LYS 14 HB1 LYS 14 48.491 8.454 -1.306 101 HG2 LYS 14 HG2 LYS 14 46.243 8.239 -1.870 102 HG3 LYS 14 HG1 LYS 14 45.663 8.870 -0.311 103 HD2 LYS 14 HD2 LYS 14 46.125 11.171 -1.044 104 HD3 LYS 14 HD1 LYS 14 46.810 10.568 -2.572 105 HE2 LYS 14 HE2 LYS 14 44.634 9.572 -3.175 106 HE3 LYS 14 HE1 LYS 14 43.940 10.130 -1.634 107 HZ1 LYS 14 HZ1 LYS 14 43.690 12.181 -2.432 108 HZ2 LYS 14 HZ2 LYS 14 43.971 11.526 -3.973 109 HZ3 LYS 14 HZ3 LYS 14 45.248 12.226 -3.101 110 H HIS 15 HN HIS 15 46.144 7.119 -0.559 111 HA HIS 15 HA HIS 15 45.525 4.886 -0.907 112 HB2 HIS 15 HB2 HIS 15 46.946 5.621 -2.829 113 HB3 HIS 15 HB1 HIS 15 48.352 4.888 -2.022 114 HD1 HIS 15 HD1 HIS 15 45.028 3.187 -1.661 115 HD2 HIS 15 HD2 HIS 15 48.486 2.831 -4.026 116 HE1 HIS 15 HE1 HIS 15 44.881 0.954 -2.895 117 H ILE 16 HN ILE 16 47.140 5.426 1.646 118 HA ILE 16 HA ILE 16 47.070 2.971 2.718 119 HB ILE 16 HB ILE 16 48.784 2.013 1.372 120 HG12 ILE 16 HG12 ILE 16 50.426 2.888 3.774 121 HG13 ILE 16 HG11 ILE 16 49.003 1.852 4.007 122 HG21 ILE 16 HG21 ILE 16 49.744 4.004 0.325 123 HG22 ILE 16 HG22 ILE 16 51.063 3.207 1.203 124 HG23 ILE 16 HG23 ILE 16 50.269 4.617 1.904 125 HD11 ILE 16 HD1 ILE 16 51.486 1.231 2.348 126 HD12 ILE 16 HD2 ILE 16 50.001 0.252 2.287 127 HD13 ILE 16 HD3 ILE 16 50.912 0.395 3.806 128 H GLY 17 HN GLY 17 48.830 5.768 2.500 129 HA2 GLY 17 HA1 GLY 17 49.165 5.977 5.422 130 HA3 GLY 17 HA2 GLY 17 49.558 7.225 4.222 131 H HIS 18 HN HIS 18 46.841 6.271 2.946 132 HA HIS 18 HA HIS 18 45.184 8.249 4.514 133 HB2 HIS 18 HB2 HIS 18 45.214 7.201 1.704 134 HB3 HIS 18 HB1 HIS 18 43.598 7.480 2.385 135 HD1 HIS 18 HD1 HIS 18 46.483 9.642 3.501 136 HD2 HIS 18 HD2 HIS 18 43.327 9.825 0.729 137 HE1 HIS 18 HE1 HIS 18 46.279 12.072 2.739 138 H ALA 19 HN ALA 19 45.145 4.828 3.339 139 HA ALA 19 HA ALA 19 44.009 3.689 5.611 140 HB1 ALA 19 HB1 ALA 19 41.992 4.865 5.684 141 HB2 ALA 19 HB2 ALA 19 41.508 3.495 4.664 142 HB3 ALA 19 HB3 ALA 19 41.921 5.058 3.917 143 H ALA 20 HN ALA 20 45.315 3.523 2.725 144 HA ALA 20 HA ALA 20 45.666 1.818 1.187 145 HB1 ALA 20 HB1 ALA 20 44.384 -0.034 3.222 146 HB2 ALA 20 HB2 ALA 20 46.051 0.569 3.376 147 HB3 ALA 20 HB3 ALA 20 45.592 -0.436 1.981 148 H VAL 21 HN VAL 21 42.887 3.121 1.870 149 HA VAL 21 HA VAL 21 41.434 1.704 -0.304 150 HB VAL 21 HB VAL 21 40.234 2.194 2.464 151 HG11 VAL 21 HG11 VAL 21 38.296 0.847 1.335 152 HG12 VAL 21 HG12 VAL 21 39.073 1.294 -0.201 153 HG13 VAL 21 HG13 VAL 21 38.482 2.558 0.903 154 HG21 VAL 21 HG21 VAL 21 39.977 -0.340 2.420 155 HG22 VAL 21 HG22 VAL 21 41.657 0.226 2.516 156 HG23 VAL 21 HG23 VAL 21 41.004 -0.354 0.966 157 H ASN 22 HN ASN 22 42.464 4.392 1.421 158 HA ASN 22 HA ASN 22 42.353 6.620 0.567 159 HB2 ASN 22 HB2 ASN 22 40.878 5.795 -1.399 160 HB3 ASN 22 HB1 ASN 22 39.488 6.167 -0.344 161 HD21 ASN 22 HD21 ASN 22 40.287 7.546 -2.893 162 HD22 ASN 22 HD22 ASN 22 40.554 9.232 -2.437 163 H HIS 23 HN HIS 23 39.698 4.908 2.108 164 HA HIS 23 HA HIS 23 39.681 6.910 4.300 165 HB2 HIS 23 HB2 HIS 23 37.218 6.280 2.626 166 HB3 HIS 23 HB1 HIS 23 37.199 7.145 4.181 167 HD1 HIS 23 HD1 HIS 23 37.339 7.758 0.626 168 HD2 HIS 23 HD2 HIS 23 39.164 9.514 3.984 169 HE1 HIS 23 HE1 HIS 23 38.112 10.093 -0.062 170 H TYR 24 HN TYR 24 39.788 5.794 6.106 171 HA TYR 24 HA TYR 24 39.225 2.953 6.179 172 HB2 TYR 24 HB2 TYR 24 39.696 3.149 8.578 173 HB3 TYR 24 HB1 TYR 24 40.901 4.068 7.645 174 HD1 TYR 24 HD1 TYR 24 37.907 4.316 9.831 175 HD2 TYR 24 HD2 TYR 24 40.962 6.506 7.711 176 HE1 TYR 24 HE1 TYR 24 37.284 6.385 11.072 177 HE2 TYR 24 HE2 TYR 24 40.339 8.575 8.952 178 HH TYR 24 HH TYR 24 37.537 8.601 11.171 179 H LEU 25 HN LEU 25 37.148 5.403 5.788 180 HA LEU 25 HA LEU 25 34.902 5.734 6.268 181 HB2 LEU 25 HB2 LEU 25 34.954 2.727 6.763 182 HB3 LEU 25 HB1 LEU 25 33.508 3.717 6.475 183 HG LEU 25 HG LEU 25 35.126 4.391 4.273 184 HD11 LEU 25 HD11 LEU 25 35.326 1.366 4.564 185 HD12 LEU 25 HD12 LEU 25 36.648 2.454 5.041 186 HD13 LEU 25 HD13 LEU 25 36.097 2.416 3.351 187 HD21 LEU 25 HD21 LEU 25 33.571 3.003 2.952 188 HD22 LEU 25 HD22 LEU 25 32.692 3.870 4.234 189 HD23 LEU 25 HD23 LEU 25 33.066 2.140 4.425 Start of MODEL 93 1 H1 GLY 1 HT1 GLY 1 68.007 8.565 0.864 2 H2 GLY 1 HT2 GLY 1 66.762 9.720 0.939 3 H3 GLY 1 HT3 GLY 1 68.248 10.015 1.707 4 HA2 GLY 1 HA1 GLY 1 69.118 10.867 -0.075 5 HA3 GLY 1 HA2 GLY 1 68.657 9.427 -1.004 6 H TRP 2 HN TRP 2 68.428 11.208 -2.666 7 HA TRP 2 HA TRP 2 67.065 12.597 -3.934 8 HB2 TRP 2 HB2 TRP 2 64.797 11.056 -2.619 9 HB3 TRP 2 HB1 TRP 2 64.780 11.864 -4.204 10 HD1 TRP 2 HD1 TRP 2 66.243 10.764 -6.160 11 HE1 TRP 2 HE1 TRP 2 67.071 8.331 -6.561 12 HE3 TRP 2 HE3 TRP 2 65.600 8.903 -1.434 13 HZ2 TRP 2 HZ2 TRP 2 67.396 5.924 -5.015 14 HZ3 TRP 2 HZ3 TRP 2 66.175 6.535 -0.920 15 HH2 TRP 2 HH2 TRP 2 67.072 5.045 -2.704 16 H GLY 3 HN GLY 3 64.237 13.258 -3.167 17 HA2 GLY 3 HA1 GLY 3 64.124 14.611 -0.689 18 HA3 GLY 3 HA2 GLY 3 64.796 15.749 -1.872 19 H SER 4 HN SER 4 63.003 13.770 -3.718 20 HA SER 4 HA SER 4 60.992 14.110 -4.826 21 HB2 SER 4 HB2 SER 4 59.011 14.143 -3.424 22 HB3 SER 4 HB1 SER 4 60.223 13.085 -2.667 23 HG SER 4 HG SER 4 59.128 15.436 -1.790 24 H ILE 5 HN ILE 5 58.812 15.745 -4.389 25 HA ILE 5 HA ILE 5 59.848 18.539 -4.209 26 HB ILE 5 HB ILE 5 58.216 17.621 -6.618 27 HG12 ILE 5 HG12 ILE 5 61.231 18.014 -6.337 28 HG13 ILE 5 HG11 ILE 5 60.389 16.500 -6.735 29 HG21 ILE 5 HG21 ILE 5 58.692 19.807 -7.483 30 HG22 ILE 5 HG22 ILE 5 59.928 20.114 -6.240 31 HG23 ILE 5 HG23 ILE 5 58.206 20.061 -5.793 32 HD11 ILE 5 HD1 ILE 5 59.414 17.807 -8.767 33 HD12 ILE 5 HD2 ILE 5 61.123 17.317 -8.839 34 HD13 ILE 5 HD3 ILE 5 60.697 18.997 -8.435 35 H PHE 6 HN PHE 6 57.272 16.163 -4.324 36 HA PHE 6 HA PHE 6 55.658 17.697 -2.478 37 HB2 PHE 6 HB2 PHE 6 53.687 18.021 -3.947 38 HB3 PHE 6 HB1 PHE 6 55.082 18.983 -4.491 39 HD1 PHE 6 HD1 PHE 6 56.069 18.619 -6.649 40 HD2 PHE 6 HD2 PHE 6 53.174 15.816 -5.099 41 HE1 PHE 6 HE1 PHE 6 55.968 17.494 -8.869 42 HE2 PHE 6 HE2 PHE 6 53.074 14.693 -7.320 43 HZ PHE 6 HZ PHE 6 54.444 15.554 -9.216 44 H LYS 7 HN LYS 7 56.314 15.020 -4.575 45 HA LYS 7 HA LYS 7 54.093 13.352 -4.240 46 HB2 LYS 7 HB2 LYS 7 57.040 12.591 -4.132 47 HB3 LYS 7 HB1 LYS 7 55.695 11.458 -4.416 48 HG2 LYS 7 HG2 LYS 7 55.025 12.955 -6.389 49 HG3 LYS 7 HG1 LYS 7 56.592 13.772 -6.179 50 HD2 LYS 7 HD2 LYS 7 56.228 10.776 -6.636 51 HD3 LYS 7 HD1 LYS 7 56.686 11.950 -7.891 52 HE2 LYS 7 HE2 LYS 7 58.771 11.091 -7.196 53 HE3 LYS 7 HE1 LYS 7 58.639 12.584 -6.239 54 HZ1 LYS 7 HZ1 LYS 7 59.002 11.227 -4.514 55 HZ2 LYS 7 HZ2 LYS 7 58.604 9.822 -5.384 56 HZ3 LYS 7 HZ3 LYS 7 57.378 10.769 -4.687 57 H HIS 8 HN HIS 8 57.039 13.098 -2.198 58 HA HIS 8 HA HIS 8 55.516 11.736 -0.097 59 HB2 HIS 8 HB2 HIS 8 57.938 11.278 -0.651 60 HB3 HIS 8 HB1 HIS 8 58.335 12.876 0.024 61 HD1 HIS 8 HD1 HIS 8 55.689 10.535 1.456 62 HD2 HIS 8 HD2 HIS 8 59.498 12.029 2.429 63 HE1 HIS 8 HE1 HIS 8 56.219 9.779 3.839 64 H GLY 9 HN GLY 9 53.996 13.769 -0.178 65 HA2 GLY 9 HA1 GLY 9 54.512 15.209 2.299 66 HA3 GLY 9 HA2 GLY 9 54.657 16.250 0.871 67 H ARG 10 HN ARG 10 52.599 14.520 -0.548 68 HA ARG 10 HA ARG 10 50.141 15.079 1.025 69 HB2 ARG 10 HB2 ARG 10 49.147 16.512 -0.670 70 HB3 ARG 10 HB1 ARG 10 50.679 17.235 -0.123 71 HG2 ARG 10 HG2 ARG 10 51.786 16.034 -2.115 72 HG3 ARG 10 HG1 ARG 10 50.137 15.718 -2.706 73 HD2 ARG 10 HD2 ARG 10 51.528 18.387 -2.312 74 HD3 ARG 10 HD1 ARG 10 50.756 17.743 -3.780 75 HE ARG 10 HE ARG 10 48.821 18.016 -1.649 76 HH11 ARG 10 HH11 ARG 10 47.802 18.782 -4.148 77 HH12 ARG 10 HH12 ARG 10 47.946 20.506 -4.211 78 HH21 ARG 10 HH21 ARG 10 50.261 20.670 -1.634 79 HH22 ARG 10 HH22 ARG 10 49.338 21.576 -2.786 80 H HIS 11 HN HIS 11 51.865 12.976 -0.660 81 HA HIS 11 HA HIS 11 49.453 11.516 -1.558 82 HB2 HIS 11 HB2 HIS 11 50.120 12.821 -3.578 83 HB3 HIS 11 HB1 HIS 11 51.743 12.098 -3.478 84 HD1 HIS 11 HD1 HIS 11 48.485 10.228 -2.804 85 HD2 HIS 11 HD2 HIS 11 51.476 10.447 -5.752 86 HE1 HIS 11 HE1 HIS 11 48.107 8.286 -4.421 87 H ALA 12 HN ALA 12 49.573 9.460 -1.629 88 HA ALA 12 HA ALA 12 50.273 7.324 -1.178 89 HB1 ALA 12 HB1 ALA 12 52.303 8.127 -2.460 90 HB2 ALA 12 HB2 ALA 12 52.559 6.817 -1.279 91 HB3 ALA 12 HB3 ALA 12 52.926 8.490 -0.861 92 H ALA 13 HN ALA 13 51.594 10.097 0.537 93 HA ALA 13 HA ALA 13 51.888 8.646 3.070 94 HB1 ALA 13 HB1 ALA 13 52.804 10.939 3.013 95 HB2 ALA 13 HB2 ALA 13 51.319 10.993 3.994 96 HB3 ALA 13 HB3 ALA 13 51.297 11.567 2.308 97 H LYS 14 HN LYS 14 50.209 8.937 0.379 98 HA LYS 14 HA LYS 14 47.388 8.662 1.690 99 HB2 LYS 14 HB2 LYS 14 48.118 10.487 -0.082 100 HB3 LYS 14 HB1 LYS 14 48.137 9.092 -1.219 101 HG2 LYS 14 HG2 LYS 14 45.605 8.964 0.197 102 HG3 LYS 14 HG1 LYS 14 45.838 10.684 -0.154 103 HD2 LYS 14 HD2 LYS 14 46.368 9.994 -2.569 104 HD3 LYS 14 HD1 LYS 14 45.771 8.375 -2.138 105 HE2 LYS 14 HE2 LYS 14 43.902 9.569 -3.079 106 HE3 LYS 14 HE1 LYS 14 43.633 9.501 -1.321 107 HZ1 LYS 14 HZ1 LYS 14 45.185 11.778 -2.122 108 HZ2 LYS 14 HZ2 LYS 14 43.784 11.702 -1.163 109 HZ3 LYS 14 HZ3 LYS 14 43.656 11.757 -2.856 110 H HIS 15 HN HIS 15 46.181 7.595 -0.562 111 HA HIS 15 HA HIS 15 45.585 5.399 -1.153 112 HB2 HIS 15 HB2 HIS 15 46.846 6.481 -3.042 113 HB3 HIS 15 HB1 HIS 15 48.312 5.647 -2.475 114 HD1 HIS 15 HD1 HIS 15 44.916 3.987 -2.282 115 HD2 HIS 15 HD2 HIS 15 48.378 3.839 -4.665 116 HE1 HIS 15 HE1 HIS 15 44.700 1.955 -3.814 117 H ILE 16 HN ILE 16 47.342 5.589 1.333 118 HA ILE 16 HA ILE 16 47.483 3.004 2.015 119 HB ILE 16 HB ILE 16 49.104 2.353 0.378 120 HG12 ILE 16 HG12 ILE 16 51.086 1.733 1.674 121 HG13 ILE 16 HG11 ILE 16 50.659 2.901 2.942 122 HG21 ILE 16 HG21 ILE 16 51.297 3.600 0.158 123 HG22 ILE 16 HG22 ILE 16 50.640 4.848 1.217 124 HG23 ILE 16 HG23 ILE 16 49.905 4.573 -0.375 125 HD11 ILE 16 HD1 ILE 16 49.985 0.453 3.363 126 HD12 ILE 16 HD2 ILE 16 48.776 0.670 2.075 127 HD13 ILE 16 HD3 ILE 16 48.694 1.660 3.550 128 H GLY 17 HN GLY 17 49.318 5.765 2.061 129 HA2 GLY 17 HA1 GLY 17 49.899 5.621 4.912 130 HA3 GLY 17 HA2 GLY 17 50.111 7.044 3.872 131 H HIS 18 HN HIS 18 47.269 6.207 2.835 132 HA HIS 18 HA HIS 18 45.799 7.854 4.897 133 HB2 HIS 18 HB2 HIS 18 45.493 7.285 1.965 134 HB3 HIS 18 HB1 HIS 18 43.973 7.400 2.872 135 HD1 HIS 18 HD1 HIS 18 43.466 9.652 1.565 136 HD2 HIS 18 HD2 HIS 18 46.884 9.770 4.010 137 HE1 HIS 18 HE1 HIS 18 44.092 12.108 1.883 138 H ALA 19 HN ALA 19 45.663 4.711 3.142 139 HA ALA 19 HA ALA 19 44.903 3.072 5.222 140 HB1 ALA 19 HB1 ALA 19 42.269 3.015 4.719 141 HB2 ALA 19 HB2 ALA 19 42.552 4.723 4.303 142 HB3 ALA 19 HB3 ALA 19 42.943 4.124 5.934 143 H ALA 20 HN ALA 20 45.686 3.609 2.213 144 HA ALA 20 HA ALA 20 45.772 2.310 0.293 145 HB1 ALA 20 HB1 ALA 20 46.401 0.579 2.077 146 HB2 ALA 20 HB2 ALA 20 45.781 -0.054 0.534 147 HB3 ALA 20 HB3 ALA 20 44.722 0.005 1.961 148 H VAL 21 HN VAL 21 43.115 3.352 1.704 149 HA VAL 21 HA VAL 21 41.351 2.449 -0.535 150 HB VAL 21 HB VAL 21 40.527 2.392 2.407 151 HG11 VAL 21 HG11 VAL 21 38.603 3.012 1.152 152 HG12 VAL 21 HG12 VAL 21 38.457 1.249 1.303 153 HG13 VAL 21 HG13 VAL 21 39.045 1.965 -0.216 154 HG21 VAL 21 HG21 VAL 21 40.278 -0.076 1.988 155 HG22 VAL 21 HG22 VAL 21 41.962 0.479 1.856 156 HG23 VAL 21 HG23 VAL 21 41.015 0.154 0.385 157 H ASN 22 HN ASN 22 42.670 4.743 1.526 158 HA ASN 22 HA ASN 22 42.499 7.099 1.042 159 HB2 ASN 22 HB2 ASN 22 40.630 6.727 -0.662 160 HB3 ASN 22 HB1 ASN 22 39.493 6.774 0.714 161 HD21 ASN 22 HD21 ASN 22 39.341 8.803 1.971 162 HD22 ASN 22 HD22 ASN 22 39.874 10.322 1.243 163 H HIS 23 HN HIS 23 40.153 5.171 2.857 164 HA HIS 23 HA HIS 23 40.899 6.419 5.343 165 HB2 HIS 23 HB2 HIS 23 38.634 7.476 5.807 166 HB3 HIS 23 HB1 HIS 23 39.645 8.341 4.625 167 HD1 HIS 23 HD1 HIS 23 38.540 5.388 2.933 168 HD2 HIS 23 HD2 HIS 23 36.695 9.036 3.928 169 HE1 HIS 23 HE1 HIS 23 36.524 5.669 1.388 170 H TYR 24 HN TYR 24 41.012 4.415 6.226 171 HA TYR 24 HA TYR 24 38.499 3.193 7.036 172 HB2 TYR 24 HB2 TYR 24 38.737 2.340 4.677 173 HB3 TYR 24 HB1 TYR 24 40.264 1.566 5.166 174 HD1 TYR 24 HD1 TYR 24 36.582 1.676 5.809 175 HD2 TYR 24 HD2 TYR 24 40.271 -0.471 6.453 176 HE1 TYR 24 HE1 TYR 24 35.300 -0.252 6.728 177 HE2 TYR 24 HE2 TYR 24 38.988 -2.400 7.372 178 HH TYR 24 HH TYR 24 36.926 -2.875 8.379 179 H LEU 25 HN LEU 25 41.606 4.026 7.500 180 HA LEU 25 HA LEU 25 43.259 3.387 9.002 181 HB2 LEU 25 HB2 LEU 25 41.066 1.985 10.565 182 HB3 LEU 25 HB1 LEU 25 42.507 2.829 11.180 183 HG LEU 25 HG LEU 25 40.108 4.108 9.796 184 HD11 LEU 25 HD11 LEU 25 39.857 3.341 12.206 185 HD12 LEU 25 HD12 LEU 25 39.646 5.091 11.958 186 HD13 LEU 25 HD13 LEU 25 41.171 4.463 12.630 187 HD21 LEU 25 HD21 LEU 25 41.347 6.256 10.534 188 HD22 LEU 25 HD22 LEU 25 42.024 5.389 9.138 189 HD23 LEU 25 HD23 LEU 25 42.783 5.224 10.740 Start of MODEL 94 1 H1 GLY 1 HT1 GLY 1 69.259 13.620 -0.966 2 H2 GLY 1 HT2 GLY 1 68.145 14.384 0.064 3 H3 GLY 1 HT3 GLY 1 67.962 14.490 -1.623 4 HA2 GLY 1 HA1 GLY 1 68.083 11.819 -0.602 5 HA3 GLY 1 HA2 GLY 1 66.693 12.768 -0.042 6 H TRP 2 HN TRP 2 64.986 12.148 -1.189 7 HA TRP 2 HA TRP 2 65.238 11.284 -3.968 8 HB2 TRP 2 HB2 TRP 2 62.771 11.920 -2.300 9 HB3 TRP 2 HB1 TRP 2 62.785 11.072 -3.866 10 HD1 TRP 2 HD1 TRP 2 64.065 8.674 -3.929 11 HE1 TRP 2 HE1 TRP 2 64.384 6.862 -2.091 12 HE3 TRP 2 HE3 TRP 2 63.058 11.529 0.200 13 HZ2 TRP 2 HZ2 TRP 2 64.216 6.708 0.780 14 HZ3 TRP 2 HZ3 TRP 2 63.143 10.528 2.479 15 HH2 TRP 2 HH2 TRP 2 63.720 8.122 2.772 16 H GLY 3 HN GLY 3 64.615 12.318 -5.828 17 HA2 GLY 3 HA1 GLY 3 64.803 15.200 -5.803 18 HA3 GLY 3 HA2 GLY 3 64.419 14.175 -7.201 19 H SER 4 HN SER 4 62.317 13.284 -4.817 20 HA SER 4 HA SER 4 60.028 14.350 -6.125 21 HB2 SER 4 HB2 SER 4 60.388 13.384 -3.264 22 HB3 SER 4 HB1 SER 4 58.817 13.702 -4.031 23 HG SER 4 HG SER 4 59.884 12.219 -5.751 24 H ILE 5 HN ILE 5 58.323 15.575 -4.596 25 HA ILE 5 HA ILE 5 59.620 17.901 -3.252 26 HB ILE 5 HB ILE 5 57.537 18.345 -5.436 27 HG12 ILE 5 HG12 ILE 5 60.583 18.509 -5.592 28 HG13 ILE 5 HG11 ILE 5 59.525 17.422 -6.522 29 HG21 ILE 5 HG21 ILE 5 57.926 20.017 -3.514 30 HG22 ILE 5 HG22 ILE 5 58.089 20.660 -5.165 31 HG23 ILE 5 HG23 ILE 5 59.543 20.281 -4.210 32 HD11 ILE 5 HD1 ILE 5 59.819 20.435 -6.761 33 HD12 ILE 5 HD2 ILE 5 58.382 19.593 -7.392 34 HD13 ILE 5 HD3 ILE 5 59.996 19.198 -8.026 35 H PHE 6 HN PHE 6 56.355 17.234 -4.589 36 HA PHE 6 HA PHE 6 55.199 17.770 -1.896 37 HB2 PHE 6 HB2 PHE 6 53.970 17.323 -4.645 38 HB3 PHE 6 HB1 PHE 6 53.025 17.586 -3.160 39 HD1 PHE 6 HD1 PHE 6 55.287 19.127 -5.644 40 HD2 PHE 6 HD2 PHE 6 53.073 19.757 -1.993 41 HE1 PHE 6 HE1 PHE 6 55.597 21.587 -5.882 42 HE2 PHE 6 HE2 PHE 6 53.382 22.219 -2.232 43 HZ PHE 6 HZ PHE 6 54.641 23.134 -4.177 44 H LYS 7 HN LYS 7 55.618 15.173 -4.276 45 HA LYS 7 HA LYS 7 53.863 13.243 -3.212 46 HB2 LYS 7 HB2 LYS 7 56.658 12.701 -4.290 47 HB3 LYS 7 HB1 LYS 7 55.270 11.586 -4.283 48 HG2 LYS 7 HG2 LYS 7 54.020 13.278 -5.704 49 HG3 LYS 7 HG1 LYS 7 55.545 14.184 -5.849 50 HD2 LYS 7 HD2 LYS 7 56.630 12.101 -6.758 51 HD3 LYS 7 HD1 LYS 7 55.032 11.314 -6.745 52 HE2 LYS 7 HE2 LYS 7 55.848 13.789 -8.326 53 HE3 LYS 7 HE1 LYS 7 55.419 12.190 -8.979 54 HZ1 LYS 7 HZ1 LYS 7 53.696 14.289 -7.886 55 HZ2 LYS 7 HZ2 LYS 7 53.248 12.680 -7.571 56 HZ3 LYS 7 HZ3 LYS 7 53.423 13.218 -9.173 57 H HIS 8 HN HIS 8 57.044 14.312 -2.088 58 HA HIS 8 HA HIS 8 57.335 12.149 -0.152 59 HB2 HIS 8 HB2 HIS 8 59.259 13.411 -1.117 60 HB3 HIS 8 HB1 HIS 8 58.704 14.866 -0.253 61 HD1 HIS 8 HD1 HIS 8 59.952 15.214 1.867 62 HD2 HIS 8 HD2 HIS 8 59.343 11.131 1.062 63 HE1 HIS 8 HE1 HIS 8 61.033 13.893 3.768 64 H GLY 9 HN GLY 9 54.881 14.057 -0.216 65 HA2 GLY 9 HA1 GLY 9 54.406 14.013 2.600 66 HA3 GLY 9 HA2 GLY 9 54.907 15.650 2.131 67 H ARG 10 HN ARG 10 53.213 13.601 -0.145 68 HA ARG 10 HA ARG 10 50.559 14.614 0.559 69 HB2 ARG 10 HB2 ARG 10 51.859 16.529 -0.677 70 HB3 ARG 10 HB1 ARG 10 51.623 15.539 -2.133 71 HG2 ARG 10 HG2 ARG 10 49.183 15.584 -1.803 72 HG3 ARG 10 HG1 ARG 10 49.383 16.477 -0.277 73 HD2 ARG 10 HD2 ARG 10 50.302 18.393 -1.436 74 HD3 ARG 10 HD1 ARG 10 50.374 17.495 -2.971 75 HE ARG 10 HE ARG 10 48.045 18.842 -1.929 76 HH11 ARG 10 HH11 ARG 10 48.216 18.421 -4.783 77 HH12 ARG 10 HH12 ARG 10 47.127 17.108 -5.083 78 HH21 ARG 10 HH21 ARG 10 47.017 16.092 -1.769 79 HH22 ARG 10 HH22 ARG 10 46.449 15.789 -3.377 80 H HIS 11 HN HIS 11 52.234 12.142 -0.137 81 HA HIS 11 HA HIS 11 50.107 10.778 -1.561 82 HB2 HIS 11 HB2 HIS 11 51.348 11.921 -3.460 83 HB3 HIS 11 HB1 HIS 11 52.777 10.962 -3.007 84 HD1 HIS 11 HD1 HIS 11 49.247 10.628 -4.382 85 HD2 HIS 11 HD2 HIS 11 52.698 8.288 -3.857 86 HE1 HIS 11 HE1 HIS 11 48.851 8.409 -5.583 87 H ALA 12 HN ALA 12 50.116 8.720 -1.431 88 HA ALA 12 HA ALA 12 50.585 6.606 -0.671 89 HB1 ALA 12 HB1 ALA 12 52.891 7.223 -1.532 90 HB2 ALA 12 HB2 ALA 12 52.806 6.005 -0.233 91 HB3 ALA 12 HB3 ALA 12 53.162 7.694 0.137 92 H ALA 13 HN ALA 13 51.738 9.457 1.054 93 HA ALA 13 HA ALA 13 51.397 8.259 3.701 94 HB1 ALA 13 HB1 ALA 13 51.329 11.088 2.535 95 HB2 ALA 13 HB2 ALA 13 52.431 10.443 3.776 96 HB3 ALA 13 HB3 ALA 13 50.727 10.771 4.178 97 H LYS 14 HN LYS 14 50.283 8.376 0.714 98 HA LYS 14 HA LYS 14 47.248 8.428 1.471 99 HB2 LYS 14 HB2 LYS 14 48.397 9.997 -0.283 100 HB3 LYS 14 HB1 LYS 14 48.636 8.487 -1.233 101 HG2 LYS 14 HG2 LYS 14 46.404 8.440 -1.880 102 HG3 LYS 14 HG1 LYS 14 45.808 8.933 -0.282 103 HD2 LYS 14 HD2 LYS 14 46.342 11.277 -0.762 104 HD3 LYS 14 HD1 LYS 14 47.077 10.820 -2.316 105 HE2 LYS 14 HE2 LYS 14 44.185 10.151 -1.646 106 HE3 LYS 14 HE1 LYS 14 44.651 11.699 -2.390 107 HZ1 LYS 14 HZ1 LYS 14 44.067 9.576 -3.824 108 HZ2 LYS 14 HZ2 LYS 14 45.717 9.247 -3.584 109 HZ3 LYS 14 HZ3 LYS 14 45.235 10.699 -4.323 110 H HIS 15 HN HIS 15 46.223 7.204 -0.626 111 HA HIS 15 HA HIS 15 45.521 5.006 -1.084 112 HB2 HIS 15 HB2 HIS 15 48.331 5.192 -2.221 113 HB3 HIS 15 HB1 HIS 15 47.133 3.960 -2.685 114 HD1 HIS 15 HD1 HIS 15 44.720 6.203 -2.357 115 HD2 HIS 15 HD2 HIS 15 48.053 6.272 -4.916 116 HE1 HIS 15 HE1 HIS 15 44.173 7.796 -4.277 117 H ILE 16 HN ILE 16 47.021 5.317 1.525 118 HA ILE 16 HA ILE 16 46.924 2.817 2.422 119 HB ILE 16 HB ILE 16 48.648 1.866 1.084 120 HG12 ILE 16 HG12 ILE 16 50.375 2.590 3.466 121 HG13 ILE 16 HG11 ILE 16 48.868 1.702 3.766 122 HG21 ILE 16 HG21 ILE 16 50.950 2.998 0.962 123 HG22 ILE 16 HG22 ILE 16 50.215 4.405 1.725 124 HG23 ILE 16 HG23 ILE 16 49.667 3.892 0.123 125 HD11 ILE 16 HD1 ILE 16 49.554 -0.145 2.420 126 HD12 ILE 16 HD2 ILE 16 50.981 0.284 3.391 127 HD13 ILE 16 HD3 ILE 16 50.886 0.776 1.685 128 H GLY 17 HN GLY 17 48.900 5.477 2.419 129 HA2 GLY 17 HA1 GLY 17 49.130 5.546 5.342 130 HA3 GLY 17 HA2 GLY 17 49.597 6.839 4.219 131 H HIS 18 HN HIS 18 46.893 6.106 2.826 132 HA HIS 18 HA HIS 18 45.296 8.093 4.398 133 HB2 HIS 18 HB2 HIS 18 45.353 7.073 1.605 134 HB3 HIS 18 HB1 HIS 18 43.706 7.223 2.243 135 HD1 HIS 18 HD1 HIS 18 43.214 9.249 0.672 136 HD2 HIS 18 HD2 HIS 18 46.416 9.889 3.319 137 HE1 HIS 18 HE1 HIS 18 43.703 11.755 0.684 138 H ALA 19 HN ALA 19 45.122 4.624 3.319 139 HA ALA 19 HA ALA 19 43.600 4.000 5.737 140 HB1 ALA 19 HB1 ALA 19 41.812 5.148 4.523 141 HB2 ALA 19 HB2 ALA 19 41.464 3.410 4.671 142 HB3 ALA 19 HB3 ALA 19 42.057 4.072 3.129 143 H ALA 20 HN ALA 20 45.902 2.930 4.163 144 HA ALA 20 HA ALA 20 46.705 0.824 3.567 145 HB1 ALA 20 HB1 ALA 20 45.863 -1.046 4.755 146 HB2 ALA 20 HB2 ALA 20 44.249 -0.316 4.919 147 HB3 ALA 20 HB3 ALA 20 45.625 0.353 5.828 148 H VAL 21 HN VAL 21 43.884 2.084 2.313 149 HA VAL 21 HA VAL 21 43.944 0.139 0.070 150 HB VAL 21 HB VAL 21 41.336 0.767 1.532 151 HG11 VAL 21 HG11 VAL 21 40.475 -1.022 -0.036 152 HG12 VAL 21 HG12 VAL 21 42.052 -0.989 -0.857 153 HG13 VAL 21 HG13 VAL 21 41.016 0.456 -0.861 154 HG21 VAL 21 HG21 VAL 21 41.388 -1.731 2.020 155 HG22 VAL 21 HG22 VAL 21 42.602 -0.781 2.904 156 HG23 VAL 21 HG23 VAL 21 43.082 -1.735 1.479 157 H ASN 22 HN ASN 22 43.061 3.148 1.572 158 HA ASN 22 HA ASN 22 43.460 5.146 0.055 159 HB2 ASN 22 HB2 ASN 22 42.990 4.115 -2.108 160 HB3 ASN 22 HB1 ASN 22 41.319 3.739 -1.610 161 HD21 ASN 22 HD21 ASN 22 40.170 5.082 -3.075 162 HD22 ASN 22 HD22 ASN 22 40.362 6.838 -3.109 163 H HIS 23 HN HIS 23 40.520 3.368 0.968 164 HA HIS 23 HA HIS 23 39.745 5.547 2.752 165 HB2 HIS 23 HB2 HIS 23 38.948 6.351 0.482 166 HB3 HIS 23 HB1 HIS 23 37.873 4.934 0.434 167 HD1 HIS 23 HD1 HIS 23 37.087 4.908 3.488 168 HD2 HIS 23 HD2 HIS 23 36.972 8.287 0.985 169 HE1 HIS 23 HE1 HIS 23 35.451 6.572 4.529 170 H TYR 24 HN TYR 24 39.662 4.082 4.386 171 HA TYR 24 HA TYR 24 37.248 2.454 4.541 172 HB2 TYR 24 HB2 TYR 24 38.666 0.920 3.221 173 HB3 TYR 24 HB1 TYR 24 39.946 1.041 4.452 174 HD1 TYR 24 HD1 TYR 24 39.765 -0.115 6.580 175 HD2 TYR 24 HD2 TYR 24 36.492 -0.171 3.766 176 HE1 TYR 24 HE1 TYR 24 38.661 -1.915 7.899 177 HE2 TYR 24 HE2 TYR 24 35.388 -1.972 5.087 178 HH TYR 24 HH TYR 24 36.898 -3.747 7.481 179 H LEU 25 HN LEU 25 39.831 4.188 5.756 180 HA LEU 25 HA LEU 25 40.285 3.091 8.321 181 HB2 LEU 25 HB2 LEU 25 41.658 4.892 7.505 182 HB3 LEU 25 HB1 LEU 25 40.253 5.962 7.312 183 HG LEU 25 HG LEU 25 39.958 6.138 9.710 184 HD11 LEU 25 HD11 LEU 25 40.397 3.933 10.518 185 HD12 LEU 25 HD12 LEU 25 41.690 4.934 11.218 186 HD13 LEU 25 HD13 LEU 25 42.027 3.905 9.803 187 HD21 LEU 25 HD21 LEU 25 42.121 7.139 10.365 188 HD22 LEU 25 HD22 LEU 25 41.722 7.555 8.681 189 HD23 LEU 25 HD23 LEU 25 42.929 6.293 9.024 Start of MODEL 95 1 H1 GLY 1 HT1 GLY 1 62.462 20.485 -8.168 2 H2 GLY 1 HT2 GLY 1 62.102 18.933 -7.578 3 H3 GLY 1 HT3 GLY 1 63.338 19.145 -8.725 4 HA2 GLY 1 HA1 GLY 1 64.832 19.650 -7.236 5 HA3 GLY 1 HA2 GLY 1 63.707 20.748 -6.414 6 H TRP 2 HN TRP 2 65.276 19.461 -4.758 7 HA TRP 2 HA TRP 2 65.359 17.926 -3.014 8 HB2 TRP 2 HB2 TRP 2 62.343 18.174 -3.339 9 HB3 TRP 2 HB1 TRP 2 63.155 17.430 -1.941 10 HD1 TRP 2 HD1 TRP 2 61.892 20.664 -3.131 11 HE1 TRP 2 HE1 TRP 2 62.782 22.638 -1.693 12 HE3 TRP 2 HE3 TRP 2 65.614 18.213 -0.609 13 HZ2 TRP 2 HZ2 TRP 2 64.835 23.063 0.280 14 HZ3 TRP 2 HZ3 TRP 2 67.026 19.424 1.046 15 HH2 TRP 2 HH2 TRP 2 66.640 21.844 1.492 16 H GLY 3 HN GLY 3 64.098 15.740 -2.205 17 HA2 GLY 3 HA1 GLY 3 64.900 13.760 -4.104 18 HA3 GLY 3 HA2 GLY 3 63.942 13.473 -2.638 19 H SER 4 HN SER 4 62.056 15.649 -3.890 20 HA SER 4 HA SER 4 60.910 14.290 -6.199 21 HB2 SER 4 HB2 SER 4 59.304 14.171 -3.622 22 HB3 SER 4 HB1 SER 4 58.867 13.493 -5.206 23 HG SER 4 HG SER 4 60.241 12.348 -3.258 24 H ILE 5 HN ILE 5 58.792 15.305 -6.834 25 HA ILE 5 HA ILE 5 59.073 18.190 -6.600 26 HB ILE 5 HB ILE 5 56.639 16.728 -7.708 27 HG12 ILE 5 HG12 ILE 5 59.322 17.271 -9.065 28 HG13 ILE 5 HG11 ILE 5 58.663 15.671 -8.653 29 HG21 ILE 5 HG21 ILE 5 56.341 18.692 -9.024 30 HG22 ILE 5 HG22 ILE 5 57.995 19.266 -8.704 31 HG23 ILE 5 HG23 ILE 5 56.773 19.304 -7.411 32 HD11 ILE 5 HD1 ILE 5 57.640 17.659 -10.711 33 HD12 ILE 5 HD2 ILE 5 56.617 16.336 -10.099 34 HD13 ILE 5 HD3 ILE 5 58.131 15.967 -10.956 35 H PHE 6 HN PHE 6 56.497 15.872 -5.621 36 HA PHE 6 HA PHE 6 56.011 17.394 -3.162 37 HB2 PHE 6 HB2 PHE 6 53.693 17.999 -3.655 38 HB3 PHE 6 HB1 PHE 6 54.778 18.763 -4.839 39 HD1 PHE 6 HD1 PHE 6 54.734 18.127 -7.180 40 HD2 PHE 6 HD2 PHE 6 52.348 15.991 -4.286 41 HE1 PHE 6 HE1 PHE 6 53.499 17.004 -9.028 42 HE2 PHE 6 HE2 PHE 6 51.111 14.870 -6.136 43 HZ PHE 6 HZ PHE 6 51.704 15.357 -8.506 44 H LYS 7 HN LYS 7 56.225 14.610 -4.844 45 HA LYS 7 HA LYS 7 53.965 13.082 -3.986 46 HB2 LYS 7 HB2 LYS 7 56.821 12.379 -4.738 47 HB3 LYS 7 HB1 LYS 7 55.683 11.123 -4.199 48 HG2 LYS 7 HG2 LYS 7 55.682 11.311 -6.664 49 HG3 LYS 7 HG1 LYS 7 54.102 11.779 -5.992 50 HD2 LYS 7 HD2 LYS 7 54.520 14.105 -6.326 51 HD3 LYS 7 HD1 LYS 7 56.264 13.841 -6.575 52 HE2 LYS 7 HE2 LYS 7 55.833 12.697 -8.692 53 HE3 LYS 7 HE1 LYS 7 54.076 12.786 -8.421 54 HZ1 LYS 7 HZ1 LYS 7 54.059 14.812 -9.285 55 HZ2 LYS 7 HZ2 LYS 7 55.717 14.681 -9.635 56 HZ3 LYS 7 HZ3 LYS 7 55.207 15.360 -8.163 57 H HIS 8 HN HIS 8 57.289 13.159 -2.588 58 HA HIS 8 HA HIS 8 56.430 11.772 -0.188 59 HB2 HIS 8 HB2 HIS 8 58.772 11.756 -1.096 60 HB3 HIS 8 HB1 HIS 8 58.926 13.461 -0.610 61 HD1 HIS 8 HD1 HIS 8 58.122 10.035 0.929 62 HD2 HIS 8 HD2 HIS 8 59.582 13.812 2.070 63 HE1 HIS 8 HE1 HIS 8 58.869 9.859 3.367 64 H GLY 9 HN GLY 9 54.529 13.223 0.176 65 HA2 GLY 9 HA1 GLY 9 54.776 14.743 2.466 66 HA3 GLY 9 HA2 GLY 9 55.059 15.919 1.166 67 H ARG 10 HN ARG 10 53.272 14.254 -0.632 68 HA ARG 10 HA ARG 10 50.599 14.797 0.616 69 HB2 ARG 10 HB2 ARG 10 51.597 15.913 -2.036 70 HB3 ARG 10 HB1 ARG 10 49.889 15.885 -1.542 71 HG2 ARG 10 HG2 ARG 10 50.418 17.247 0.444 72 HG3 ARG 10 HG1 ARG 10 52.142 17.243 0.001 73 HD2 ARG 10 HD2 ARG 10 50.871 19.330 -0.700 74 HD3 ARG 10 HD1 ARG 10 51.714 18.484 -2.022 75 HE ARG 10 HE ARG 10 48.865 17.761 -1.595 76 HH11 ARG 10 HH11 ARG 10 50.780 17.590 -4.084 77 HH12 ARG 10 HH12 ARG 10 49.989 18.723 -5.128 78 HH21 ARG 10 HH21 ARG 10 48.031 20.082 -2.609 79 HH22 ARG 10 HH22 ARG 10 48.432 20.133 -4.293 80 H HIS 11 HN HIS 11 52.443 12.491 -0.350 81 HA HIS 11 HA HIS 11 50.231 10.950 -1.548 82 HB2 HIS 11 HB2 HIS 11 51.426 12.034 -3.516 83 HB3 HIS 11 HB1 HIS 11 52.886 11.140 -3.028 84 HD1 HIS 11 HD1 HIS 11 49.187 10.378 -3.791 85 HD2 HIS 11 HD2 HIS 11 53.007 8.691 -4.277 86 HE1 HIS 11 HE1 HIS 11 48.890 8.159 -5.024 87 H ALA 12 HN ALA 12 50.315 8.917 -1.361 88 HA ALA 12 HA ALA 12 50.829 6.858 -0.522 89 HB1 ALA 12 HB1 ALA 12 53.357 8.031 0.320 90 HB2 ALA 12 HB2 ALA 12 53.137 7.481 -1.344 91 HB3 ALA 12 HB3 ALA 12 53.047 6.335 0.016 92 H ALA 13 HN ALA 13 51.809 9.819 1.092 93 HA ALA 13 HA ALA 13 51.415 8.743 3.787 94 HB1 ALA 13 HB1 ALA 13 50.747 11.206 4.213 95 HB2 ALA 13 HB2 ALA 13 51.165 11.529 2.513 96 HB3 ALA 13 HB3 ALA 13 52.421 10.989 3.652 97 H LYS 14 HN LYS 14 50.421 8.602 0.781 98 HA LYS 14 HA LYS 14 47.363 8.564 1.440 99 HB2 LYS 14 HB2 LYS 14 48.483 10.170 -0.306 100 HB3 LYS 14 HB1 LYS 14 48.844 8.656 -1.215 101 HG2 LYS 14 HG2 LYS 14 46.643 8.463 -1.935 102 HG3 LYS 14 HG1 LYS 14 45.959 8.976 -0.378 103 HD2 LYS 14 HD2 LYS 14 46.378 11.323 -0.921 104 HD3 LYS 14 HD1 LYS 14 47.216 10.860 -2.421 105 HE2 LYS 14 HE2 LYS 14 44.939 11.509 -2.988 106 HE3 LYS 14 HE1 LYS 14 45.084 9.746 -3.188 107 HZ1 LYS 14 HZ1 LYS 14 43.486 9.470 -1.698 108 HZ2 LYS 14 HZ2 LYS 14 43.307 11.154 -1.557 109 HZ3 LYS 14 HZ3 LYS 14 44.369 10.320 -0.526 110 H HIS 15 HN HIS 15 46.481 7.252 -0.688 111 HA HIS 15 HA HIS 15 45.915 5.001 -1.101 112 HB2 HIS 15 HB2 HIS 15 48.707 5.444 -2.201 113 HB3 HIS 15 HB1 HIS 15 47.750 3.993 -2.575 114 HD1 HIS 15 HD1 HIS 15 48.375 5.600 -4.976 115 HD2 HIS 15 HD2 HIS 15 45.164 6.701 -2.504 116 HE1 HIS 15 HE1 HIS 15 46.732 6.933 -6.404 117 H ILE 16 HN ILE 16 47.175 5.430 1.560 118 HA ILE 16 HA ILE 16 47.225 2.980 2.555 119 HB ILE 16 HB ILE 16 49.067 2.122 1.232 120 HG12 ILE 16 HG12 ILE 16 50.278 2.913 3.915 121 HG13 ILE 16 HG11 ILE 16 49.092 1.607 3.712 122 HG21 ILE 16 HG21 ILE 16 51.336 3.363 1.367 123 HG22 ILE 16 HG22 ILE 16 50.428 4.724 2.036 124 HG23 ILE 16 HG23 ILE 16 50.094 4.168 0.384 125 HD11 ILE 16 HD1 ILE 16 51.987 1.707 2.868 126 HD12 ILE 16 HD2 ILE 16 50.864 0.790 1.836 127 HD13 ILE 16 HD3 ILE 16 51.052 0.358 3.549 128 H GLY 17 HN GLY 17 48.745 5.918 2.459 129 HA2 GLY 17 HA1 GLY 17 48.973 6.018 5.415 130 HA3 GLY 17 HA2 GLY 17 49.366 7.324 4.284 131 H HIS 18 HN HIS 18 46.827 6.263 2.779 132 HA HIS 18 HA HIS 18 44.938 8.119 4.204 133 HB2 HIS 18 HB2 HIS 18 45.180 8.177 1.698 134 HB3 HIS 18 HB1 HIS 18 44.487 6.545 1.638 135 HD1 HIS 18 HD1 HIS 18 43.579 10.070 1.598 136 HD2 HIS 18 HD2 HIS 18 41.793 6.579 3.102 137 HE1 HIS 18 HE1 HIS 18 41.091 10.556 1.901 138 H ALA 19 HN ALA 19 45.254 4.627 3.284 139 HA ALA 19 HA ALA 19 43.173 4.078 5.409 140 HB1 ALA 19 HB1 ALA 19 41.877 4.232 3.368 141 HB2 ALA 19 HB2 ALA 19 41.964 2.538 3.899 142 HB3 ALA 19 HB3 ALA 19 42.972 3.098 2.547 143 H ALA 20 HN ALA 20 46.158 3.572 4.965 144 HA ALA 20 HA ALA 20 47.617 1.843 5.502 145 HB1 ALA 20 HB1 ALA 20 45.220 0.275 6.474 146 HB2 ALA 20 HB2 ALA 20 45.889 1.651 7.379 147 HB3 ALA 20 HB3 ALA 20 46.898 0.221 7.061 148 H VAL 21 HN VAL 21 45.251 1.562 3.163 149 HA VAL 21 HA VAL 21 46.659 -0.754 1.947 150 HB VAL 21 HB VAL 21 43.629 -0.778 2.334 151 HG11 VAL 21 HG11 VAL 21 45.614 -2.686 1.021 152 HG12 VAL 21 HG12 VAL 21 44.271 -1.819 0.238 153 HG13 VAL 21 HG13 VAL 21 43.930 -3.123 1.397 154 HG21 VAL 21 HG21 VAL 21 45.872 -2.360 3.667 155 HG22 VAL 21 HG22 VAL 21 44.164 -2.851 3.718 156 HG23 VAL 21 HG23 VAL 21 44.667 -1.317 4.459 157 H ASN 22 HN ASN 22 44.431 1.987 1.781 158 HA ASN 22 HA ASN 22 45.260 2.761 -0.810 159 HB2 ASN 22 HB2 ASN 22 42.968 2.118 -1.990 160 HB3 ASN 22 HB1 ASN 22 44.296 0.940 -1.930 161 HD21 ASN 22 HD21 ASN 22 42.731 1.618 1.137 162 HD22 ASN 22 HD22 ASN 22 41.781 0.131 1.199 163 H HIS 23 HN HIS 23 41.817 2.454 0.040 164 HA HIS 23 HA HIS 23 41.744 5.168 1.202 165 HB2 HIS 23 HB2 HIS 23 40.174 6.047 -0.481 166 HB3 HIS 23 HB1 HIS 23 41.741 5.645 -1.220 167 HD1 HIS 23 HD1 HIS 23 39.681 5.683 -3.277 168 HD2 HIS 23 HD2 HIS 23 40.239 2.286 -0.864 169 HE1 HIS 23 HE1 HIS 23 38.624 3.700 -4.494 170 H TYR 24 HN TYR 24 39.137 5.759 1.121 171 HA TYR 24 HA TYR 24 37.139 5.252 2.177 172 HB2 TYR 24 HB2 TYR 24 37.001 3.737 0.142 173 HB3 TYR 24 HB1 TYR 24 37.585 2.413 1.179 174 HD1 TYR 24 HD1 TYR 24 36.082 1.257 2.637 175 HD2 TYR 24 HD2 TYR 24 34.882 4.996 0.843 176 HE1 TYR 24 HE1 TYR 24 33.762 0.919 3.483 177 HE2 TYR 24 HE2 TYR 24 32.563 4.658 1.691 178 HH TYR 24 HH TYR 24 31.160 3.244 2.691 179 H LEU 25 HN LEU 25 39.871 4.675 3.469 180 HA LEU 25 HA LEU 25 40.653 3.760 5.459 181 HB2 LEU 25 HB2 LEU 25 37.755 3.752 6.366 182 HB3 LEU 25 HB1 LEU 25 39.221 4.013 7.341 183 HG LEU 25 HG LEU 25 38.135 5.875 5.180 184 HD11 LEU 25 HD11 LEU 25 36.869 5.885 7.320 185 HD12 LEU 25 HD12 LEU 25 37.754 7.410 7.076 186 HD13 LEU 25 HD13 LEU 25 38.382 6.187 8.206 187 HD21 LEU 25 HD21 LEU 25 40.517 6.081 5.103 188 HD22 LEU 25 HD22 LEU 25 40.672 5.914 6.869 189 HD23 LEU 25 HD23 LEU 25 39.985 7.400 6.171 Start of MODEL 96 1 H1 GLY 1 HT1 GLY 1 66.997 9.995 -0.066 2 H2 GLY 1 HT2 GLY 1 65.590 10.932 -0.239 3 H3 GLY 1 HT3 GLY 1 66.663 11.232 1.044 4 HA2 GLY 1 HA1 GLY 1 68.383 11.797 -0.573 5 HA3 GLY 1 HA2 GLY 1 67.142 11.644 -1.832 6 H TRP 2 HN TRP 2 66.466 13.553 -2.507 7 HA TRP 2 HA TRP 2 66.811 15.965 -0.972 8 HB2 TRP 2 HB2 TRP 2 65.032 15.401 -3.378 9 HB3 TRP 2 HB1 TRP 2 65.450 17.015 -2.757 10 HD1 TRP 2 HD1 TRP 2 66.841 14.093 -4.730 11 HE1 TRP 2 HE1 TRP 2 69.160 14.714 -5.731 12 HE3 TRP 2 HE3 TRP 2 67.610 18.530 -2.295 13 HZ2 TRP 2 HZ2 TRP 2 71.066 16.859 -5.485 14 HZ3 TRP 2 HZ3 TRP 2 69.685 19.847 -2.693 15 HH2 TRP 2 HH2 TRP 2 71.412 19.016 -4.284 16 H GLY 3 HN GLY 3 64.371 13.508 -1.026 17 HA2 GLY 3 HA1 GLY 3 62.503 13.277 0.336 18 HA3 GLY 3 HA2 GLY 3 62.948 14.787 1.157 19 H SER 4 HN SER 4 62.740 14.924 -2.278 20 HA SER 4 HA SER 4 61.261 16.029 -3.675 21 HB2 SER 4 HB2 SER 4 59.087 15.196 -1.725 22 HB3 SER 4 HB1 SER 4 58.924 15.532 -3.462 23 HG SER 4 HG SER 4 60.736 13.566 -2.577 24 H ILE 5 HN ILE 5 58.702 17.243 -2.822 25 HA ILE 5 HA ILE 5 59.582 19.411 -0.969 26 HB ILE 5 HB ILE 5 58.401 20.094 -3.698 27 HG12 ILE 5 HG12 ILE 5 61.324 20.006 -2.819 28 HG13 ILE 5 HG11 ILE 5 60.570 19.043 -4.110 29 HG21 ILE 5 HG21 ILE 5 58.231 21.669 -1.669 30 HG22 ILE 5 HG22 ILE 5 58.995 22.346 -3.124 31 HG23 ILE 5 HG23 ILE 5 60.002 21.812 -1.755 32 HD11 ILE 5 HD1 ILE 5 59.939 21.334 -5.179 33 HD12 ILE 5 HD2 ILE 5 61.639 20.817 -5.269 34 HD13 ILE 5 HD3 ILE 5 61.141 22.025 -4.062 35 H PHE 6 HN PHE 6 57.165 17.578 -2.708 36 HA PHE 6 HA PHE 6 55.156 18.317 -0.662 37 HB2 PHE 6 HB2 PHE 6 53.456 18.998 -2.275 38 HB3 PHE 6 HB1 PHE 6 54.878 20.056 -2.436 39 HD1 PHE 6 HD1 PHE 6 56.159 20.115 -4.475 40 HD2 PHE 6 HD2 PHE 6 53.113 17.109 -3.914 41 HE1 PHE 6 HE1 PHE 6 56.352 19.472 -6.875 42 HE2 PHE 6 HE2 PHE 6 53.305 16.467 -6.313 43 HZ PHE 6 HZ PHE 6 54.965 17.609 -7.780 44 H LYS 7 HN LYS 7 56.454 16.328 -3.184 45 HA LYS 7 HA LYS 7 54.314 14.505 -3.590 46 HB2 LYS 7 HB2 LYS 7 56.544 14.622 -4.828 47 HB3 LYS 7 HB1 LYS 7 57.258 13.752 -3.448 48 HG2 LYS 7 HG2 LYS 7 55.466 11.972 -3.777 49 HG3 LYS 7 HG1 LYS 7 55.032 12.794 -5.295 50 HD2 LYS 7 HD2 LYS 7 57.450 12.571 -6.014 51 HD3 LYS 7 HD1 LYS 7 57.724 11.562 -4.573 52 HE2 LYS 7 HE2 LYS 7 55.768 10.997 -6.842 53 HE3 LYS 7 HE1 LYS 7 57.268 10.108 -6.486 54 HZ1 LYS 7 HZ1 LYS 7 54.674 9.906 -5.253 55 HZ2 LYS 7 HZ2 LYS 7 55.933 10.064 -4.122 56 HZ3 LYS 7 HZ3 LYS 7 55.961 8.802 -5.259 57 H HIS 8 HN HIS 8 57.070 14.292 -1.289 58 HA HIS 8 HA HIS 8 55.836 12.019 0.101 59 HB2 HIS 8 HB2 HIS 8 58.242 13.762 0.771 60 HB3 HIS 8 HB1 HIS 8 57.766 12.295 1.658 61 HD1 HIS 8 HD1 HIS 8 60.257 13.120 -0.572 62 HD2 HIS 8 HD2 HIS 8 57.183 10.262 -0.835 63 HE1 HIS 8 HE1 HIS 8 61.009 11.344 -2.248 64 H GLY 9 HN GLY 9 53.974 14.028 0.052 65 HA2 GLY 9 HA1 GLY 9 53.542 14.435 2.909 66 HA3 GLY 9 HA2 GLY 9 53.897 15.944 2.043 67 H ARG 10 HN ARG 10 52.623 14.494 -0.400 68 HA ARG 10 HA ARG 10 49.741 14.877 0.412 69 HB2 ARG 10 HB2 ARG 10 51.148 15.897 -2.092 70 HB3 ARG 10 HB1 ARG 10 49.386 15.919 -1.833 71 HG2 ARG 10 HG2 ARG 10 49.714 17.301 0.209 72 HG3 ARG 10 HG1 ARG 10 51.469 17.308 -0.090 73 HD2 ARG 10 HD2 ARG 10 50.471 19.375 -0.966 74 HD3 ARG 10 HD1 ARG 10 51.058 18.371 -2.313 75 HE ARG 10 HE ARG 10 48.361 17.659 -1.935 76 HH11 ARG 10 HH11 ARG 10 49.173 20.823 -1.531 77 HH12 ARG 10 HH12 ARG 10 48.397 21.421 -2.959 78 HH21 ARG 10 HH21 ARG 10 47.798 18.270 -4.276 79 HH22 ARG 10 HH22 ARG 10 47.619 19.977 -4.513 80 H HIS 11 HN HIS 11 51.830 12.616 -0.251 81 HA HIS 11 HA HIS 11 49.842 10.912 -1.561 82 HB2 HIS 11 HB2 HIS 11 50.952 12.028 -3.523 83 HB3 HIS 11 HB1 HIS 11 52.507 11.370 -2.961 84 HD1 HIS 11 HD1 HIS 11 52.786 8.733 -2.961 85 HD2 HIS 11 HD2 HIS 11 49.340 10.184 -4.885 86 HE1 HIS 11 HE1 HIS 11 51.807 6.807 -4.324 87 H ALA 12 HN ALA 12 50.109 8.876 -1.356 88 HA ALA 12 HA ALA 12 50.783 6.879 -0.473 89 HB1 ALA 12 HB1 ALA 12 53.041 7.722 -1.259 90 HB2 ALA 12 HB2 ALA 12 53.033 6.565 0.097 91 HB3 ALA 12 HB3 ALA 12 53.172 8.300 0.394 92 H ALA 13 HN ALA 13 51.500 9.914 1.176 93 HA ALA 13 HA ALA 13 51.162 8.774 3.855 94 HB1 ALA 13 HB1 ALA 13 50.412 11.126 4.399 95 HB2 ALA 13 HB2 ALA 13 50.537 11.548 2.674 96 HB3 ALA 13 HB3 ALA 13 52.000 11.136 3.599 97 H LYS 14 HN LYS 14 50.207 8.643 0.822 98 HA LYS 14 HA LYS 14 47.154 8.351 1.433 99 HB2 LYS 14 HB2 LYS 14 48.177 10.004 -0.317 100 HB3 LYS 14 HB1 LYS 14 48.668 8.508 -1.197 101 HG2 LYS 14 HG2 LYS 14 46.497 8.133 -1.945 102 HG3 LYS 14 HG1 LYS 14 45.755 8.615 -0.403 103 HD2 LYS 14 HD2 LYS 14 45.926 10.962 -0.972 104 HD3 LYS 14 HD1 LYS 14 46.921 10.598 -2.403 105 HE2 LYS 14 HE2 LYS 14 45.037 9.389 -3.433 106 HE3 LYS 14 HE1 LYS 14 44.040 9.683 -1.989 107 HZ1 LYS 14 HZ1 LYS 14 43.418 11.397 -3.368 108 HZ2 LYS 14 HZ2 LYS 14 44.966 11.590 -4.040 109 HZ3 LYS 14 HZ3 LYS 14 44.645 12.147 -2.467 110 H HIS 15 HN HIS 15 46.410 6.939 -0.678 111 HA HIS 15 HA HIS 15 46.027 4.666 -1.114 112 HB2 HIS 15 HB2 HIS 15 48.879 5.160 -2.042 113 HB3 HIS 15 HB1 HIS 15 47.881 3.774 -2.541 114 HD1 HIS 15 HD1 HIS 15 45.181 5.654 -2.532 115 HD2 HIS 15 HD2 HIS 15 48.712 6.173 -4.753 116 HE1 HIS 15 HE1 HIS 15 44.607 7.118 -4.545 117 H ILE 16 HN ILE 16 47.349 5.269 1.571 118 HA ILE 16 HA ILE 16 47.445 2.791 2.581 119 HB ILE 16 HB ILE 16 49.347 2.033 1.377 120 HG12 ILE 16 HG12 ILE 16 50.534 3.053 3.990 121 HG13 ILE 16 HG11 ILE 16 49.378 1.706 3.925 122 HG21 ILE 16 HG21 ILE 16 50.547 4.745 2.073 123 HG22 ILE 16 HG22 ILE 16 50.193 4.142 0.445 124 HG23 ILE 16 HG23 ILE 16 51.505 3.425 1.398 125 HD11 ILE 16 HD1 ILE 16 51.087 0.720 2.125 126 HD12 ILE 16 HD2 ILE 16 51.425 0.557 3.861 127 HD13 ILE 16 HD3 ILE 16 52.234 1.825 2.918 128 H GLY 17 HN GLY 17 49.009 5.712 2.585 129 HA2 GLY 17 HA1 GLY 17 49.050 5.890 5.521 130 HA3 GLY 17 HA2 GLY 17 49.414 7.202 4.383 131 H HIS 18 HN HIS 18 46.936 6.054 2.857 132 HA HIS 18 HA HIS 18 44.948 7.800 4.302 133 HB2 HIS 18 HB2 HIS 18 45.352 6.849 1.490 134 HB3 HIS 18 HB1 HIS 18 43.658 6.921 2.013 135 HD1 HIS 18 HD1 HIS 18 43.288 8.932 0.343 136 HD2 HIS 18 HD2 HIS 18 46.058 9.693 3.414 137 HE1 HIS 18 HE1 HIS 18 43.648 11.460 0.436 138 H ALA 19 HN ALA 19 45.252 4.452 2.932 139 HA ALA 19 HA ALA 19 44.050 3.130 5.104 140 HB1 ALA 19 HB1 ALA 19 41.952 4.179 4.968 141 HB2 ALA 19 HB2 ALA 19 41.689 2.745 3.956 142 HB3 ALA 19 HB3 ALA 19 42.026 4.320 3.194 143 H ALA 20 HN ALA 20 45.659 3.155 2.369 144 HA ALA 20 HA ALA 20 46.307 1.526 0.845 145 HB1 ALA 20 HB1 ALA 20 44.932 -0.493 2.643 146 HB2 ALA 20 HB2 ALA 20 46.506 0.234 3.044 147 HB3 ALA 20 HB3 ALA 20 46.327 -0.742 1.567 148 H VAL 21 HN VAL 21 43.380 2.613 1.249 149 HA VAL 21 HA VAL 21 42.272 1.178 -1.115 150 HB VAL 21 HB VAL 21 40.742 1.558 1.502 151 HG11 VAL 21 HG11 VAL 21 39.033 0.105 0.145 152 HG12 VAL 21 HG12 VAL 21 39.952 0.628 -1.285 153 HG13 VAL 21 HG13 VAL 21 39.157 1.832 -0.244 154 HG21 VAL 21 HG21 VAL 21 41.806 -0.930 0.087 155 HG22 VAL 21 HG22 VAL 21 40.649 -0.977 1.439 156 HG23 VAL 21 HG23 VAL 21 42.282 -0.322 1.690 157 H ASN 22 HN ASN 22 42.987 3.851 0.730 158 HA ASN 22 HA ASN 22 42.882 6.094 -0.063 159 HB2 ASN 22 HB2 ASN 22 40.189 5.515 -1.339 160 HB3 ASN 22 HB1 ASN 22 41.225 6.940 -1.553 161 HD21 ASN 22 HD21 ASN 22 40.274 5.033 -3.675 162 HD22 ASN 22 HD22 ASN 22 41.750 4.389 -4.404 163 H HIS 23 HN HIS 23 40.101 4.281 1.120 164 HA HIS 23 HA HIS 23 39.864 6.105 3.408 165 HB2 HIS 23 HB2 HIS 23 37.681 5.970 1.290 166 HB3 HIS 23 HB1 HIS 23 37.410 6.561 2.946 167 HD1 HIS 23 HD1 HIS 23 39.056 8.618 3.713 168 HD2 HIS 23 HD2 HIS 23 38.783 7.872 -0.416 169 HE1 HIS 23 HE1 HIS 23 39.878 10.714 2.504 170 H TYR 24 HN TYR 24 39.877 4.593 4.946 171 HA TYR 24 HA TYR 24 38.885 1.930 4.607 172 HB2 TYR 24 HB2 TYR 24 40.531 2.671 6.347 173 HB3 TYR 24 HB1 TYR 24 39.200 3.484 7.205 174 HD1 TYR 24 HD1 TYR 24 40.415 0.167 5.964 175 HD2 TYR 24 HD2 TYR 24 37.660 2.238 8.564 176 HE1 TYR 24 HE1 TYR 24 39.796 -1.997 7.032 177 HE2 TYR 24 HE2 TYR 24 37.043 0.072 9.632 178 HH TYR 24 HH TYR 24 38.395 -2.316 9.880 179 H LEU 25 HN LEU 25 37.242 4.884 4.953 180 HA LEU 25 HA LEU 25 35.042 5.418 5.440 181 HB2 LEU 25 HB2 LEU 25 34.590 4.112 3.462 182 HB3 LEU 25 HB1 LEU 25 34.742 2.588 4.361 183 HG LEU 25 HG LEU 25 32.704 3.027 5.602 184 HD11 LEU 25 HD11 LEU 25 32.922 5.790 4.344 185 HD12 LEU 25 HD12 LEU 25 32.774 5.365 6.067 186 HD13 LEU 25 HD13 LEU 25 31.378 5.174 4.984 187 HD21 LEU 25 HD21 LEU 25 31.073 3.072 3.779 188 HD22 LEU 25 HD22 LEU 25 32.506 2.154 3.255 189 HD23 LEU 25 HD23 LEU 25 32.263 3.824 2.690 Start of MODEL 97 1 H1 GLY 1 HT1 GLY 1 65.621 9.252 -2.045 2 H2 GLY 1 HT2 GLY 1 67.070 9.066 -1.176 3 H3 GLY 1 HT3 GLY 1 66.889 8.336 -2.699 4 HA2 GLY 1 HA1 GLY 1 67.036 11.213 -2.095 5 HA3 GLY 1 HA2 GLY 1 68.257 10.226 -2.924 6 H TRP 2 HN TRP 2 64.888 9.571 -3.510 7 HA TRP 2 HA TRP 2 65.202 10.078 -6.340 8 HB2 TRP 2 HB2 TRP 2 62.656 9.713 -4.710 9 HB3 TRP 2 HB1 TRP 2 62.810 9.559 -6.476 10 HD1 TRP 2 HD1 TRP 2 63.959 7.874 -3.212 11 HE1 TRP 2 HE1 TRP 2 64.613 5.405 -3.705 12 HE3 TRP 2 HE3 TRP 2 63.520 7.926 -8.312 13 HZ2 TRP 2 HZ2 TRP 2 64.898 3.712 -6.018 14 HZ3 TRP 2 HZ3 TRP 2 63.988 5.873 -9.642 15 HH2 TRP 2 HH2 TRP 2 64.676 3.769 -8.500 16 H GLY 3 HN GLY 3 63.365 11.414 -7.467 17 HA2 GLY 3 HA1 GLY 3 63.888 14.169 -6.793 18 HA3 GLY 3 HA2 GLY 3 62.752 13.578 -8.022 19 H SER 4 HN SER 4 61.472 11.869 -5.824 20 HA SER 4 HA SER 4 59.506 12.113 -4.602 21 HB2 SER 4 HB2 SER 4 60.993 14.471 -3.388 22 HB3 SER 4 HB1 SER 4 59.693 13.521 -2.636 23 HG SER 4 HG SER 4 61.823 12.866 -1.995 24 H ILE 5 HN ILE 5 59.244 13.230 -7.112 25 HA ILE 5 HA ILE 5 58.445 15.939 -7.204 26 HB ILE 5 HB ILE 5 58.726 14.640 -9.239 27 HG12 ILE 5 HG12 ILE 5 55.786 15.431 -8.972 28 HG13 ILE 5 HG11 ILE 5 57.123 16.582 -9.205 29 HG21 ILE 5 HG21 ILE 5 57.661 12.504 -8.076 30 HG22 ILE 5 HG22 ILE 5 57.511 12.726 -9.833 31 HG23 ILE 5 HG23 ILE 5 56.143 13.116 -8.772 32 HD11 ILE 5 HD1 ILE 5 56.292 14.336 -11.089 33 HD12 ILE 5 HD2 ILE 5 57.758 15.324 -11.297 34 HD13 ILE 5 HD3 ILE 5 56.150 16.086 -11.379 35 H PHE 6 HN PHE 6 57.340 16.552 -5.357 36 HA PHE 6 HA PHE 6 55.500 16.806 -3.961 37 HB2 PHE 6 HB2 PHE 6 54.107 16.218 -6.601 38 HB3 PHE 6 HB1 PHE 6 53.287 16.838 -5.148 39 HD1 PHE 6 HD1 PHE 6 55.399 17.678 -8.005 40 HD2 PHE 6 HD2 PHE 6 54.020 19.054 -4.154 41 HE1 PHE 6 HE1 PHE 6 56.108 19.995 -8.581 42 HE2 PHE 6 HE2 PHE 6 54.727 21.372 -4.731 43 HZ PHE 6 HZ PHE 6 55.781 21.841 -6.939 44 H LYS 7 HN LYS 7 56.549 13.925 -4.742 45 HA LYS 7 HA LYS 7 54.239 12.225 -4.285 46 HB2 LYS 7 HB2 LYS 7 56.423 11.574 -5.437 47 HB3 LYS 7 HB1 LYS 7 57.156 11.508 -3.815 48 HG2 LYS 7 HG2 LYS 7 55.204 9.930 -3.180 49 HG3 LYS 7 HG1 LYS 7 54.884 9.816 -4.927 50 HD2 LYS 7 HD2 LYS 7 57.504 9.116 -3.526 51 HD3 LYS 7 HD1 LYS 7 56.333 7.960 -4.201 52 HE2 LYS 7 HE2 LYS 7 57.964 8.145 -5.906 53 HE3 LYS 7 HE1 LYS 7 56.685 9.256 -6.450 54 HZ1 LYS 7 HZ1 LYS 7 59.312 9.888 -6.079 55 HZ2 LYS 7 HZ2 LYS 7 58.571 10.502 -4.677 56 HZ3 LYS 7 HZ3 LYS 7 58.035 10.996 -6.213 57 H HIS 8 HN HIS 8 57.182 12.628 -2.261 58 HA HIS 8 HA HIS 8 55.710 11.767 0.121 59 HB2 HIS 8 HB2 HIS 8 58.159 11.301 -0.333 60 HB3 HIS 8 HB1 HIS 8 58.474 13.028 -0.046 61 HD1 HIS 8 HD1 HIS 8 59.266 13.429 2.277 62 HD2 HIS 8 HD2 HIS 8 56.380 10.375 2.109 63 HE1 HIS 8 HE1 HIS 8 58.901 12.593 4.665 64 H GLY 9 HN GLY 9 54.091 13.626 -0.407 65 HA2 GLY 9 HA1 GLY 9 54.555 15.671 1.615 66 HA3 GLY 9 HA2 GLY 9 54.603 16.323 -0.035 67 H ARG 10 HN ARG 10 52.663 14.219 -0.948 68 HA ARG 10 HA ARG 10 50.204 14.734 0.551 69 HB2 ARG 10 HB2 ARG 10 49.057 15.940 -1.312 70 HB3 ARG 10 HB1 ARG 10 50.363 16.896 -0.570 71 HG2 ARG 10 HG2 ARG 10 51.900 16.053 -2.406 72 HG3 ARG 10 HG1 ARG 10 50.469 15.343 -3.189 73 HD2 ARG 10 HD2 ARG 10 50.806 18.291 -2.478 74 HD3 ARG 10 HD1 ARG 10 51.000 17.598 -4.106 75 HE ARG 10 HE ARG 10 48.487 18.249 -2.865 76 HH11 ARG 10 HH11 ARG 10 46.788 16.552 -3.105 77 HH12 ARG 10 HH12 ARG 10 46.795 15.714 -4.621 78 HH21 ARG 10 HH21 ARG 10 49.930 16.873 -5.547 79 HH22 ARG 10 HH22 ARG 10 48.574 15.897 -6.003 80 H HIS 11 HN HIS 11 51.912 12.569 -0.649 81 HA HIS 11 HA HIS 11 49.672 11.007 -1.723 82 HB2 HIS 11 HB2 HIS 11 52.087 11.666 -3.453 83 HB3 HIS 11 HB1 HIS 11 50.971 10.318 -3.781 84 HD1 HIS 11 HD1 HIS 11 48.245 11.506 -3.260 85 HD2 HIS 11 HD2 HIS 11 51.285 13.575 -5.298 86 HE1 HIS 11 HE1 HIS 11 47.125 13.344 -4.636 87 H ALA 12 HN ALA 12 49.875 8.943 -1.658 88 HA ALA 12 HA ALA 12 50.582 6.879 -0.969 89 HB1 ALA 12 HB1 ALA 12 52.758 7.704 -1.985 90 HB2 ALA 12 HB2 ALA 12 52.872 6.469 -0.705 91 HB3 ALA 12 HB3 ALA 12 53.107 8.178 -0.331 92 H ALA 13 HN ALA 13 51.620 9.799 0.720 93 HA ALA 13 HA ALA 13 51.586 8.541 3.361 94 HB1 ALA 13 HB1 ALA 13 50.801 11.382 2.485 95 HB2 ALA 13 HB2 ALA 13 52.450 10.925 2.974 96 HB3 ALA 13 HB3 ALA 13 51.116 10.846 4.151 97 H LYS 14 HN LYS 14 50.238 8.600 0.479 98 HA LYS 14 HA LYS 14 47.275 8.374 1.463 99 HB2 LYS 14 HB2 LYS 14 48.158 10.071 -0.336 100 HB3 LYS 14 HB1 LYS 14 48.446 8.600 -1.333 101 HG2 LYS 14 HG2 LYS 14 46.164 8.301 -1.734 102 HG3 LYS 14 HG1 LYS 14 45.668 8.930 -0.144 103 HD2 LYS 14 HD2 LYS 14 46.846 10.788 -2.248 104 HD3 LYS 14 HD1 LYS 14 45.131 10.328 -2.315 105 HE2 LYS 14 HE2 LYS 14 46.265 11.341 0.304 106 HE3 LYS 14 HE1 LYS 14 45.866 12.504 -0.984 107 HZ1 LYS 14 HZ1 LYS 14 44.019 12.004 0.594 108 HZ2 LYS 14 HZ2 LYS 14 43.978 10.419 -0.018 109 HZ3 LYS 14 HZ3 LYS 14 43.639 11.736 -1.036 110 H HIS 15 HN HIS 15 46.202 7.112 -0.555 111 HA HIS 15 HA HIS 15 45.655 4.883 -1.044 112 HB2 HIS 15 HB2 HIS 15 48.400 5.126 -2.324 113 HB3 HIS 15 HB1 HIS 15 47.077 4.050 -2.835 114 HD1 HIS 15 HD1 HIS 15 44.643 5.718 -2.970 115 HD2 HIS 15 HD2 HIS 15 48.398 7.314 -3.994 116 HE1 HIS 15 HE1 HIS 15 44.227 7.729 -4.489 117 H ILE 16 HN ILE 16 47.360 5.292 1.453 118 HA ILE 16 HA ILE 16 47.490 2.774 2.315 119 HB ILE 16 HB ILE 16 49.170 1.977 0.823 120 HG12 ILE 16 HG12 ILE 16 51.016 2.791 3.084 121 HG13 ILE 16 HG11 ILE 16 49.611 1.779 3.472 122 HG21 ILE 16 HG21 ILE 16 49.952 4.084 -0.168 123 HG22 ILE 16 HG22 ILE 16 51.363 3.291 0.557 124 HG23 ILE 16 HG23 ILE 16 50.576 4.621 1.402 125 HD11 ILE 16 HD1 ILE 16 51.829 0.572 2.878 126 HD12 ILE 16 HD2 ILE 16 51.487 1.043 1.197 127 HD13 ILE 16 HD3 ILE 16 50.345 0.003 2.079 128 H GLY 17 HN GLY 17 49.228 5.595 2.220 129 HA2 GLY 17 HA1 GLY 17 49.718 5.609 5.111 130 HA3 GLY 17 HA2 GLY 17 49.953 6.970 3.997 131 H HIS 18 HN HIS 18 47.192 6.035 2.837 132 HA HIS 18 HA HIS 18 45.601 7.779 4.715 133 HB2 HIS 18 HB2 HIS 18 45.427 6.994 1.829 134 HB3 HIS 18 HB1 HIS 18 43.866 7.140 2.659 135 HD1 HIS 18 HD1 HIS 18 46.844 9.286 3.623 136 HD2 HIS 18 HD2 HIS 18 43.214 9.649 1.528 137 HE1 HIS 18 HE1 HIS 18 46.458 11.775 3.193 138 H ALA 19 HN ALA 19 45.589 4.435 3.306 139 HA ALA 19 HA ALA 19 44.269 3.455 5.719 140 HB1 ALA 19 HB1 ALA 19 42.089 2.978 4.912 141 HB2 ALA 19 HB2 ALA 19 42.534 3.392 3.237 142 HB3 ALA 19 HB3 ALA 19 42.394 4.674 4.466 143 H ALA 20 HN ALA 20 46.578 2.660 4.260 144 HA ALA 20 HA ALA 20 47.538 0.680 3.541 145 HB1 ALA 20 HB1 ALA 20 46.582 -1.364 4.164 146 HB2 ALA 20 HB2 ALA 20 44.920 -0.791 3.897 147 HB3 ALA 20 HB3 ALA 20 45.842 -0.225 5.311 148 H VAL 21 HN VAL 21 44.645 1.954 2.115 149 HA VAL 21 HA VAL 21 45.533 0.914 -0.530 150 HB VAL 21 HB VAL 21 42.646 0.587 0.398 151 HG11 VAL 21 HG11 VAL 21 42.899 0.953 -2.009 152 HG12 VAL 21 HG12 VAL 21 42.513 -0.760 -1.717 153 HG13 VAL 21 HG13 VAL 21 44.185 -0.275 -2.091 154 HG21 VAL 21 HG21 VAL 21 43.201 -1.888 0.259 155 HG22 VAL 21 HG22 VAL 21 43.983 -1.035 1.611 156 HG23 VAL 21 HG23 VAL 21 44.917 -1.433 0.149 157 H ASN 22 HN ASN 22 43.481 2.972 1.473 158 HA ASN 22 HA ASN 22 43.845 5.417 0.378 159 HB2 ASN 22 HB2 ASN 22 43.358 4.966 -1.891 160 HB3 ASN 22 HB1 ASN 22 42.037 3.844 -1.487 161 HD21 ASN 22 HD21 ASN 22 40.004 4.884 -0.538 162 HD22 ASN 22 HD22 ASN 22 39.615 6.531 -1.047 163 H HIS 23 HN HIS 23 41.122 3.157 0.892 164 HA HIS 23 HA HIS 23 40.288 4.584 3.278 165 HB2 HIS 23 HB2 HIS 23 39.384 6.165 1.630 166 HB3 HIS 23 HB1 HIS 23 38.546 4.838 0.791 167 HD1 HIS 23 HD1 HIS 23 38.753 6.113 4.428 168 HD2 HIS 23 HD2 HIS 23 35.959 4.574 1.690 169 HE1 HIS 23 HE1 HIS 23 36.471 6.135 5.576 170 H TYR 24 HN TYR 24 37.597 3.443 1.530 171 HA TYR 24 HA TYR 24 36.240 1.598 1.952 172 HB2 TYR 24 HB2 TYR 24 38.934 0.227 1.580 173 HB3 TYR 24 HB1 TYR 24 37.356 -0.596 1.531 174 HD1 TYR 24 HD1 TYR 24 39.640 1.716 -0.226 175 HD2 TYR 24 HD2 TYR 24 35.750 -0.155 -0.293 176 HE1 TYR 24 HE1 TYR 24 39.371 2.361 -2.617 177 HE2 TYR 24 HE2 TYR 24 35.483 0.489 -2.684 178 HH TYR 24 HH TYR 24 36.551 2.279 -4.312 179 H LEU 25 HN LEU 25 37.852 2.863 4.275 180 HA LEU 25 HA LEU 25 36.840 1.031 6.296 181 HB2 LEU 25 HB2 LEU 25 38.843 -0.231 5.852 182 HB3 LEU 25 HB1 LEU 25 39.841 1.238 5.831 183 HG LEU 25 HG LEU 25 39.549 1.567 8.214 184 HD11 LEU 25 HD11 LEU 25 38.193 -0.223 9.511 185 HD12 LEU 25 HD12 LEU 25 37.468 -0.638 7.939 186 HD13 LEU 25 HD13 LEU 25 37.266 0.998 8.612 187 HD21 LEU 25 HD21 LEU 25 40.554 -0.506 9.090 188 HD22 LEU 25 HD22 LEU 25 41.235 -0.120 7.491 189 HD23 LEU 25 HD23 LEU 25 40.005 -1.397 7.651 Start of MODEL 98 1 H1 GLY 1 HT1 GLY 1 60.432 20.905 -9.568 2 H2 GLY 1 HT2 GLY 1 61.078 22.356 -8.963 3 H3 GLY 1 HT3 GLY 1 61.015 20.973 -7.978 4 HA2 GLY 1 HA1 GLY 1 62.371 20.378 -10.350 5 HA3 GLY 1 HA2 GLY 1 63.066 21.825 -9.595 6 H TRP 2 HN TRP 2 61.928 18.518 -8.809 7 HA TRP 2 HA TRP 2 64.426 17.902 -7.467 8 HB2 TRP 2 HB2 TRP 2 63.283 19.379 -5.760 9 HB3 TRP 2 HB1 TRP 2 61.983 18.167 -5.672 10 HD1 TRP 2 HD1 TRP 2 62.337 16.271 -4.014 11 HE1 TRP 2 HE1 TRP 2 64.330 15.291 -2.660 12 HE3 TRP 2 HE3 TRP 2 66.126 19.080 -6.006 13 HZ2 TRP 2 HZ2 TRP 2 67.176 15.694 -2.491 14 HZ3 TRP 2 HZ3 TRP 2 68.472 18.764 -5.233 15 HH2 TRP 2 HH2 TRP 2 69.000 17.076 -3.479 16 H GLY 3 HN GLY 3 61.570 17.161 -8.994 17 HA2 GLY 3 HA1 GLY 3 60.825 15.097 -9.766 18 HA3 GLY 3 HA2 GLY 3 62.120 14.300 -8.851 19 H SER 4 HN SER 4 60.579 16.336 -6.736 20 HA SER 4 HA SER 4 58.194 14.797 -6.151 21 HB2 SER 4 HB2 SER 4 60.701 14.238 -4.526 22 HB3 SER 4 HB1 SER 4 59.060 13.897 -3.931 23 HG SER 4 HG SER 4 59.956 12.082 -4.974 24 H ILE 5 HN ILE 5 58.168 17.362 -6.475 25 HA ILE 5 HA ILE 5 58.797 18.819 -3.985 26 HB ILE 5 HB ILE 5 57.829 20.772 -5.165 27 HG12 ILE 5 HG12 ILE 5 57.208 18.685 -7.307 28 HG13 ILE 5 HG11 ILE 5 56.036 19.679 -6.411 29 HG21 ILE 5 HG21 ILE 5 60.225 19.913 -5.539 30 HG22 ILE 5 HG22 ILE 5 59.571 20.977 -6.804 31 HG23 ILE 5 HG23 ILE 5 59.632 19.218 -7.067 32 HD11 ILE 5 HD1 ILE 5 56.257 20.789 -8.497 33 HD12 ILE 5 HD2 ILE 5 58.019 20.552 -8.538 34 HD13 ILE 5 HD3 ILE 5 57.304 21.724 -7.404 35 H PHE 6 HN PHE 6 56.723 16.551 -4.165 36 HA PHE 6 HA PHE 6 54.792 17.859 -2.410 37 HB2 PHE 6 HB2 PHE 6 52.795 17.488 -3.733 38 HB3 PHE 6 HB1 PHE 6 53.919 18.500 -4.670 39 HD1 PHE 6 HD1 PHE 6 52.092 15.351 -4.553 40 HD2 PHE 6 HD2 PHE 6 55.383 17.401 -6.445 41 HE1 PHE 6 HE1 PHE 6 52.067 13.683 -6.403 42 HE2 PHE 6 HE2 PHE 6 55.358 15.734 -8.295 43 HZ PHE 6 HZ PHE 6 53.599 13.971 -8.348 44 H LYS 7 HN LYS 7 55.735 15.042 -4.368 45 HA LYS 7 HA LYS 7 54.113 13.090 -3.112 46 HB2 LYS 7 HB2 LYS 7 56.998 12.724 -4.019 47 HB3 LYS 7 HB1 LYS 7 55.754 11.461 -3.861 48 HG2 LYS 7 HG2 LYS 7 54.411 12.515 -5.625 49 HG3 LYS 7 HG1 LYS 7 55.582 13.853 -5.747 50 HD2 LYS 7 HD2 LYS 7 57.356 12.221 -6.377 51 HD3 LYS 7 HD1 LYS 7 56.156 10.910 -6.310 52 HE2 LYS 7 HE2 LYS 7 54.845 11.968 -8.091 53 HE3 LYS 7 HE1 LYS 7 55.955 13.359 -8.117 54 HZ1 LYS 7 HZ1 LYS 7 57.439 12.228 -9.316 55 HZ2 LYS 7 HZ2 LYS 7 56.187 11.126 -9.641 56 HZ3 LYS 7 HZ3 LYS 7 57.287 10.820 -8.383 57 H HIS 8 HN HIS 8 57.184 14.570 -2.109 58 HA HIS 8 HA HIS 8 57.669 12.784 0.102 59 HB2 HIS 8 HB2 HIS 8 59.352 14.333 -0.993 60 HB3 HIS 8 HB1 HIS 8 58.553 15.684 -0.153 61 HD1 HIS 8 HD1 HIS 8 58.302 12.776 1.979 62 HD2 HIS 8 HD2 HIS 8 61.283 15.634 1.186 63 HE1 HIS 8 HE1 HIS 8 59.996 12.658 3.887 64 H GLY 9 HN GLY 9 55.052 14.642 -0.370 65 HA2 GLY 9 HA1 GLY 9 54.490 14.798 2.527 66 HA3 GLY 9 HA2 GLY 9 54.512 16.348 1.660 67 H ARG 10 HN ARG 10 53.621 13.846 -0.409 68 HA ARG 10 HA ARG 10 50.756 13.830 0.293 69 HB2 ARG 10 HB2 ARG 10 51.806 15.231 -2.200 70 HB3 ARG 10 HB1 ARG 10 50.123 14.682 -2.017 71 HG2 ARG 10 HG2 ARG 10 50.057 16.058 0.156 72 HG3 ARG 10 HG1 ARG 10 51.602 16.771 -0.365 73 HD2 ARG 10 HD2 ARG 10 50.529 17.489 -2.497 74 HD3 ARG 10 HD1 ARG 10 48.981 16.825 -1.922 75 HE ARG 10 HE ARG 10 49.955 18.636 0.054 76 HH11 ARG 10 HH11 ARG 10 48.154 20.169 0.217 77 HH12 ARG 10 HH12 ARG 10 47.777 21.063 -1.219 78 HH21 ARG 10 HH21 ARG 10 49.752 19.096 -3.281 79 HH22 ARG 10 HH22 ARG 10 48.681 20.455 -3.198 80 H HIS 11 HN HIS 11 49.518 12.484 -1.230 81 HA HIS 11 HA HIS 11 49.241 10.429 -2.243 82 HB2 HIS 11 HB2 HIS 11 50.222 11.628 -4.186 83 HB3 HIS 11 HB1 HIS 11 51.849 11.151 -3.642 84 HD1 HIS 11 HD1 HIS 11 49.139 8.634 -3.137 85 HD2 HIS 11 HD2 HIS 11 52.072 9.507 -6.021 86 HE1 HIS 11 HE1 HIS 11 49.297 6.617 -4.697 87 H ALA 12 HN ALA 12 49.449 8.471 -1.867 88 HA ALA 12 HA ALA 12 50.145 6.486 -0.989 89 HB1 ALA 12 HB1 ALA 12 52.300 7.190 -2.110 90 HB2 ALA 12 HB2 ALA 12 52.445 6.096 -0.711 91 HB3 ALA 12 HB3 ALA 12 52.684 7.835 -0.525 92 H ALA 13 HN ALA 13 51.218 9.540 0.421 93 HA ALA 13 HA ALA 13 51.184 8.526 3.164 94 HB1 ALA 13 HB1 ALA 13 52.069 10.791 2.919 95 HB2 ALA 13 HB2 ALA 13 50.425 10.992 3.572 96 HB3 ALA 13 HB3 ALA 13 50.733 11.257 1.839 97 H LYS 14 HN LYS 14 49.824 8.351 0.271 98 HA LYS 14 HA LYS 14 46.870 8.232 1.296 99 HB2 LYS 14 HB2 LYS 14 47.746 9.742 -0.663 100 HB3 LYS 14 HB1 LYS 14 48.021 8.180 -1.517 101 HG2 LYS 14 HG2 LYS 14 45.747 7.913 -1.938 102 HG3 LYS 14 HG1 LYS 14 45.254 8.523 -0.342 103 HD2 LYS 14 HD2 LYS 14 45.480 10.818 -1.067 104 HD3 LYS 14 HD1 LYS 14 46.264 10.322 -2.586 105 HE2 LYS 14 HE2 LYS 14 43.445 9.459 -1.824 106 HE3 LYS 14 HE1 LYS 14 43.786 10.925 -2.774 107 HZ1 LYS 14 HZ1 LYS 14 44.154 8.100 -3.504 108 HZ2 LYS 14 HZ2 LYS 14 45.208 9.254 -4.170 109 HZ3 LYS 14 HZ3 LYS 14 43.533 9.383 -4.424 110 H HIS 15 HN HIS 15 45.769 6.789 -0.601 111 HA HIS 15 HA HIS 15 45.206 4.532 -0.876 112 HB2 HIS 15 HB2 HIS 15 47.955 4.640 -2.171 113 HB3 HIS 15 HB1 HIS 15 46.638 3.511 -2.568 114 HD1 HIS 15 HD1 HIS 15 47.999 6.814 -3.418 115 HD2 HIS 15 HD2 HIS 15 44.222 4.967 -3.570 116 HE1 HIS 15 HE1 HIS 15 46.536 8.200 -4.988 117 H ILE 16 HN ILE 16 46.958 5.168 1.559 118 HA ILE 16 HA ILE 16 47.036 2.732 2.670 119 HB ILE 16 HB ILE 16 48.694 1.797 1.246 120 HG12 ILE 16 HG12 ILE 16 50.339 2.844 3.583 121 HG13 ILE 16 HG11 ILE 16 49.085 1.604 3.793 122 HG21 ILE 16 HG21 ILE 16 50.908 3.049 0.883 123 HG22 ILE 16 HG22 ILE 16 50.139 4.455 1.619 124 HG23 ILE 16 HG23 ILE 16 49.510 3.807 0.095 125 HD11 ILE 16 HD1 ILE 16 51.017 0.295 3.497 126 HD12 ILE 16 HD2 ILE 16 51.728 1.414 2.317 127 HD13 ILE 16 HD3 ILE 16 50.382 0.354 1.839 128 H GLY 17 HN GLY 17 48.758 5.540 2.310 129 HA2 GLY 17 HA1 GLY 17 49.251 5.814 5.194 130 HA3 GLY 17 HA2 GLY 17 49.511 7.061 3.959 131 H HIS 18 HN HIS 18 46.749 6.029 2.875 132 HA HIS 18 HA HIS 18 45.144 7.958 4.549 133 HB2 HIS 18 HB2 HIS 18 45.002 6.873 1.758 134 HB3 HIS 18 HB1 HIS 18 43.433 7.101 2.554 135 HD1 HIS 18 HD1 HIS 18 46.367 9.367 3.337 136 HD2 HIS 18 HD2 HIS 18 42.765 9.469 1.174 137 HE1 HIS 18 HE1 HIS 18 45.994 11.782 2.591 138 H ALA 19 HN ALA 19 45.088 4.532 3.377 139 HA ALA 19 HA ALA 19 44.183 3.378 5.754 140 HB1 ALA 19 HB1 ALA 19 42.145 4.513 5.959 141 HB2 ALA 19 HB2 ALA 19 41.632 3.092 5.028 142 HB3 ALA 19 HB3 ALA 19 41.922 4.642 4.198 143 H ALA 20 HN ALA 20 45.263 3.218 2.774 144 HA ALA 20 HA ALA 20 45.563 1.499 1.243 145 HB1 ALA 20 HB1 ALA 20 44.420 -0.383 3.330 146 HB2 ALA 20 HB2 ALA 20 46.067 0.279 3.441 147 HB3 ALA 20 HB3 ALA 20 45.606 -0.735 2.053 148 H VAL 21 HN VAL 21 42.786 2.738 2.128 149 HA VAL 21 HA VAL 21 41.237 1.298 0.030 150 HB VAL 21 HB VAL 21 40.157 1.825 2.840 151 HG11 VAL 21 HG11 VAL 21 38.229 0.377 1.847 152 HG12 VAL 21 HG12 VAL 21 38.935 0.764 0.262 153 HG13 VAL 21 HG13 VAL 21 38.343 2.068 1.318 154 HG21 VAL 21 HG21 VAL 21 40.007 -0.698 2.930 155 HG22 VAL 21 HG22 VAL 21 41.675 -0.088 2.873 156 HG23 VAL 21 HG23 VAL 21 40.925 -0.760 1.406 157 H ASN 22 HN ASN 22 42.341 4.003 1.662 158 HA ASN 22 HA ASN 22 42.175 6.209 0.765 159 HB2 ASN 22 HB2 ASN 22 40.559 5.384 -1.069 160 HB3 ASN 22 HB1 ASN 22 39.248 5.750 0.084 161 HD21 ASN 22 HD21 ASN 22 38.358 7.611 -0.923 162 HD22 ASN 22 HD22 ASN 22 39.288 9.091 -1.177 163 H HIS 23 HN HIS 23 39.596 4.581 2.559 164 HA HIS 23 HA HIS 23 39.943 6.259 4.863 165 HB2 HIS 23 HB2 HIS 23 38.818 7.966 3.458 166 HB3 HIS 23 HB1 HIS 23 37.458 6.850 3.199 167 HD1 HIS 23 HD1 HIS 23 35.558 7.682 4.591 168 HD2 HIS 23 HD2 HIS 23 39.230 7.926 6.627 169 HE1 HIS 23 HE1 HIS 23 35.056 8.445 6.978 170 H TYR 24 HN TYR 24 40.061 3.919 5.420 171 HA TYR 24 HA TYR 24 37.549 2.400 5.373 172 HB2 TYR 24 HB2 TYR 24 39.860 1.376 5.237 173 HB3 TYR 24 HB1 TYR 24 40.087 1.816 6.947 174 HD1 TYR 24 HD1 TYR 24 38.074 -0.242 4.580 175 HD2 TYR 24 HD2 TYR 24 38.952 0.612 8.719 176 HE1 TYR 24 HE1 TYR 24 36.826 -2.286 5.267 177 HE2 TYR 24 HE2 TYR 24 37.704 -1.432 9.405 178 HH TYR 24 HH TYR 24 35.700 -2.713 8.348 179 H LEU 25 HN LEU 25 39.101 4.690 7.464 180 HA LEU 25 HA LEU 25 37.821 3.817 9.927 181 HB2 LEU 25 HB2 LEU 25 38.777 6.637 9.332 182 HB3 LEU 25 HB1 LEU 25 38.735 5.783 10.892 183 HG LEU 25 HG LEU 25 40.533 5.135 8.514 184 HD11 LEU 25 HD11 LEU 25 42.337 5.878 9.945 185 HD12 LEU 25 HD12 LEU 25 41.239 6.042 11.336 186 HD13 LEU 25 HD13 LEU 25 41.095 7.152 9.951 187 HD21 LEU 25 HD21 LEU 25 40.055 3.731 11.176 188 HD22 LEU 25 HD22 LEU 25 41.563 3.520 10.253 189 HD23 LEU 25 HD23 LEU 25 40.009 3.034 9.540 Start of MODEL 99 1 H1 GLY 1 HT1 GLY 1 63.131 13.724 7.371 2 H2 GLY 1 HT2 GLY 1 62.689 12.108 7.086 3 H3 GLY 1 HT3 GLY 1 62.415 13.291 5.897 4 HA2 GLY 1 HA1 GLY 1 64.641 13.533 5.420 5 HA3 GLY 1 HA2 GLY 1 65.099 12.666 6.899 6 H TRP 2 HN TRP 2 62.378 11.290 5.405 7 HA TRP 2 HA TRP 2 63.788 8.851 4.809 8 HB2 TRP 2 HB2 TRP 2 61.333 9.070 5.386 9 HB3 TRP 2 HB1 TRP 2 61.070 9.721 3.752 10 HD1 TRP 2 HD1 TRP 2 61.239 8.065 1.720 11 HE1 TRP 2 HE1 TRP 2 61.305 5.474 1.508 12 HE3 TRP 2 HE3 TRP 2 62.211 6.878 6.605 13 HZ2 TRP 2 HZ2 TRP 2 61.724 3.218 3.247 14 HZ3 TRP 2 HZ3 TRP 2 62.439 4.499 7.306 15 HH2 TRP 2 HH2 TRP 2 62.197 2.670 5.632 16 H GLY 3 HN GLY 3 63.981 11.744 3.268 17 HA2 GLY 3 HA1 GLY 3 65.047 12.229 1.249 18 HA3 GLY 3 HA2 GLY 3 65.055 10.503 0.840 19 H SER 4 HN SER 4 61.963 11.070 1.737 20 HA SER 4 HA SER 4 61.034 11.071 -1.031 21 HB2 SER 4 HB2 SER 4 58.781 11.029 0.004 22 HB3 SER 4 HB1 SER 4 59.856 9.802 0.709 23 HG SER 4 HG SER 4 58.877 12.203 1.790 24 H ILE 5 HN ILE 5 60.023 12.662 -2.183 25 HA ILE 5 HA ILE 5 60.604 15.413 -1.344 26 HB ILE 5 HB ILE 5 59.145 14.286 -3.783 27 HG12 ILE 5 HG12 ILE 5 61.238 15.053 -4.953 28 HG13 ILE 5 HG11 ILE 5 61.932 15.477 -3.373 29 HG21 ILE 5 HG21 ILE 5 59.552 16.667 -4.673 30 HG22 ILE 5 HG22 ILE 5 59.879 17.134 -2.987 31 HG23 ILE 5 HG23 ILE 5 58.279 16.505 -3.443 32 HD11 ILE 5 HD1 ILE 5 62.451 13.108 -4.482 33 HD12 ILE 5 HD2 ILE 5 60.870 12.668 -3.796 34 HD13 ILE 5 HD3 ILE 5 62.182 13.231 -2.731 35 H PHE 6 HN PHE 6 59.375 15.850 0.481 36 HA PHE 6 HA PHE 6 57.457 16.352 1.697 37 HB2 PHE 6 HB2 PHE 6 56.455 17.107 -1.077 38 HB3 PHE 6 HB1 PHE 6 55.737 17.629 0.465 39 HD1 PHE 6 HD1 PHE 6 57.389 18.765 2.181 40 HD2 PHE 6 HD2 PHE 6 58.138 18.456 -2.061 41 HE1 PHE 6 HE1 PHE 6 59.013 20.649 2.328 42 HE2 PHE 6 HE2 PHE 6 59.762 20.339 -1.910 43 HZ PHE 6 HZ PHE 6 60.140 21.484 0.269 44 H LYS 7 HN LYS 7 57.481 13.776 1.679 45 HA LYS 7 HA LYS 7 56.193 11.842 1.671 46 HB2 LYS 7 HB2 LYS 7 53.787 13.692 1.547 47 HB3 LYS 7 HB1 LYS 7 53.902 12.081 2.295 48 HG2 LYS 7 HG2 LYS 7 55.601 12.998 3.906 49 HG3 LYS 7 HG1 LYS 7 55.356 14.607 3.195 50 HD2 LYS 7 HD2 LYS 7 53.879 14.708 5.014 51 HD3 LYS 7 HD1 LYS 7 52.786 14.140 3.732 52 HE2 LYS 7 HE2 LYS 7 52.505 12.812 5.807 53 HE3 LYS 7 HE1 LYS 7 53.127 11.795 4.488 54 HZ1 LYS 7 HZ1 LYS 7 55.113 13.131 6.155 55 HZ2 LYS 7 HZ2 LYS 7 55.123 11.568 5.486 56 HZ3 LYS 7 HZ3 LYS 7 54.230 11.887 6.896 57 H HIS 8 HN HIS 8 57.197 12.115 -0.716 58 HA HIS 8 HA HIS 8 56.892 11.634 -2.961 59 HB2 HIS 8 HB2 HIS 8 55.751 9.646 -1.896 60 HB3 HIS 8 HB1 HIS 8 54.207 10.509 -2.086 61 HD1 HIS 8 HD1 HIS 8 53.910 8.160 -3.641 62 HD2 HIS 8 HD2 HIS 8 56.156 11.362 -5.186 63 HE1 HIS 8 HE1 HIS 8 54.089 7.820 -6.166 64 H GLY 9 HN GLY 9 55.725 14.143 -1.671 65 HA2 GLY 9 HA1 GLY 9 54.808 16.055 -2.634 66 HA3 GLY 9 HA2 GLY 9 54.461 15.136 -4.111 67 H ARG 10 HN ARG 10 53.429 14.961 -0.663 68 HA ARG 10 HA ARG 10 51.302 14.729 0.235 69 HB2 ARG 10 HB2 ARG 10 50.734 16.531 -2.148 70 HB3 ARG 10 HB1 ARG 10 49.479 16.081 -0.970 71 HG2 ARG 10 HG2 ARG 10 50.489 18.233 -0.341 72 HG3 ARG 10 HG1 ARG 10 50.894 16.993 0.867 73 HD2 ARG 10 HD2 ARG 10 53.136 16.840 0.144 74 HD3 ARG 10 HD1 ARG 10 52.775 17.533 -1.457 75 HE ARG 10 HE ARG 10 53.367 19.038 0.972 76 HH11 ARG 10 HH11 ARG 10 51.053 20.505 0.679 77 HH12 ARG 10 HH12 ARG 10 51.293 21.560 -0.674 78 HH21 ARG 10 HH21 ARG 10 53.959 19.750 -1.953 79 HH22 ARG 10 HH22 ARG 10 52.938 21.134 -2.163 80 H HIS 11 HN HIS 11 52.193 12.570 -1.240 81 HA HIS 11 HA HIS 11 49.609 11.359 -1.861 82 HB2 HIS 11 HB2 HIS 11 50.175 12.355 -4.072 83 HB3 HIS 11 HB1 HIS 11 51.741 11.511 -4.034 84 HD1 HIS 11 HD1 HIS 11 48.031 10.951 -4.483 85 HD2 HIS 11 HD2 HIS 11 51.602 8.737 -4.595 86 HE1 HIS 11 HE1 HIS 11 47.465 8.641 -5.415 87 H ALA 12 HN ALA 12 50.361 10.597 0.065 88 HA ALA 12 HA ALA 12 51.159 7.903 -0.104 89 HB1 ALA 12 HB1 ALA 12 53.341 8.260 1.096 90 HB2 ALA 12 HB2 ALA 12 53.017 9.987 0.809 91 HB3 ALA 12 HB3 ALA 12 53.350 8.909 -0.560 92 H ALA 13 HN ALA 13 51.114 11.037 1.400 93 HA ALA 13 HA ALA 13 50.499 10.069 4.111 94 HB1 ALA 13 HB1 ALA 13 49.636 12.594 2.577 95 HB2 ALA 13 HB2 ALA 13 51.005 12.514 3.711 96 HB3 ALA 13 HB3 ALA 13 49.341 12.297 4.307 97 H LYS 14 HN LYS 14 50.050 9.674 0.959 98 HA LYS 14 HA LYS 14 47.049 8.853 1.124 99 HB2 LYS 14 HB2 LYS 14 48.072 10.608 -0.505 100 HB3 LYS 14 HB1 LYS 14 48.974 9.196 -1.204 101 HG2 LYS 14 HG2 LYS 14 47.067 8.456 -2.326 102 HG3 LYS 14 HG1 LYS 14 45.989 8.777 -0.948 103 HD2 LYS 14 HD2 LYS 14 46.017 11.209 -1.529 104 HD3 LYS 14 HD1 LYS 14 47.028 10.838 -2.945 105 HE2 LYS 14 HE2 LYS 14 44.329 9.511 -2.472 106 HE3 LYS 14 HE1 LYS 14 44.504 11.031 -3.380 107 HZ1 LYS 14 HZ1 LYS 14 44.565 9.242 -4.922 108 HZ2 LYS 14 HZ2 LYS 14 45.731 8.397 -4.018 109 HZ3 LYS 14 HZ3 LYS 14 46.146 9.845 -4.804 110 H HIS 15 HN HIS 15 46.957 7.265 -1.026 111 HA HIS 15 HA HIS 15 47.057 4.955 -1.397 112 HB2 HIS 15 HB2 HIS 15 48.717 6.118 -2.897 113 HB3 HIS 15 HB1 HIS 15 49.989 5.682 -1.730 114 HD1 HIS 15 HD1 HIS 15 47.021 3.552 -2.906 115 HD2 HIS 15 HD2 HIS 15 51.219 3.597 -3.121 116 HE1 HIS 15 HE1 HIS 15 47.754 1.330 -3.929 117 H ILE 16 HN ILE 16 47.755 5.853 1.457 118 HA ILE 16 HA ILE 16 48.033 3.455 2.611 119 HB ILE 16 HB ILE 16 50.228 2.975 1.794 120 HG12 ILE 16 HG12 ILE 16 50.747 4.210 4.528 121 HG13 ILE 16 HG11 ILE 16 49.804 2.718 4.329 122 HG21 ILE 16 HG21 ILE 16 50.895 5.833 2.632 123 HG22 ILE 16 HG22 ILE 16 50.863 5.222 0.964 124 HG23 ILE 16 HG23 ILE 16 52.106 4.662 2.101 125 HD11 ILE 16 HD1 ILE 16 52.752 3.196 3.788 126 HD12 ILE 16 HD2 ILE 16 51.898 1.884 2.941 127 HD13 ILE 16 HD3 ILE 16 51.978 1.895 4.716 128 H GLY 17 HN GLY 17 49.108 6.587 2.705 129 HA2 GLY 17 HA1 GLY 17 48.625 6.865 5.589 130 HA3 GLY 17 HA2 GLY 17 48.974 8.179 4.448 131 H HIS 18 HN HIS 18 46.961 6.591 2.620 132 HA HIS 18 HA HIS 18 44.541 8.070 3.646 133 HB2 HIS 18 HB2 HIS 18 45.510 7.074 0.993 134 HB3 HIS 18 HB1 HIS 18 43.765 6.885 1.257 135 HD1 HIS 18 HD1 HIS 18 45.647 9.766 2.833 136 HD2 HIS 18 HD2 HIS 18 43.044 9.068 -0.392 137 HE1 HIS 18 HE1 HIS 18 44.963 12.043 1.900 138 H ALA 19 HN ALA 19 45.648 4.775 2.700 139 HA ALA 19 HA ALA 19 44.413 3.327 4.706 140 HB1 ALA 19 HB1 ALA 19 42.274 2.519 3.309 141 HB2 ALA 19 HB2 ALA 19 42.400 4.151 2.613 142 HB3 ALA 19 HB3 ALA 19 42.183 3.944 4.368 143 H ALA 20 HN ALA 20 46.216 3.596 2.095 144 HA ALA 20 HA ALA 20 47.275 2.089 0.680 145 HB1 ALA 20 HB1 ALA 20 47.680 -0.118 1.502 146 HB2 ALA 20 HB2 ALA 20 46.206 -0.094 2.499 147 HB3 ALA 20 HB3 ALA 20 47.593 0.933 2.934 148 H VAL 21 HN VAL 21 44.195 2.602 0.833 149 HA VAL 21 HA VAL 21 43.530 0.848 -1.487 150 HB VAL 21 HB VAL 21 41.830 1.133 1.034 151 HG11 VAL 21 HG11 VAL 21 40.372 -0.584 -0.323 152 HG12 VAL 21 HG12 VAL 21 41.243 0.040 -1.743 153 HG13 VAL 21 HG13 VAL 21 40.262 1.138 -0.744 154 HG21 VAL 21 HG21 VAL 21 43.618 -0.523 1.293 155 HG22 VAL 21 HG22 VAL 21 43.208 -1.259 -0.274 156 HG23 VAL 21 HG23 VAL 21 42.071 -1.374 1.090 157 H ASN 22 HN ASN 22 43.670 3.735 0.166 158 HA ASN 22 HA ASN 22 43.253 5.863 -0.822 159 HB2 ASN 22 HB2 ASN 22 40.781 4.744 -2.186 160 HB3 ASN 22 HB1 ASN 22 41.582 6.303 -2.464 161 HD21 ASN 22 HD21 ASN 22 41.121 4.323 -4.569 162 HD22 ASN 22 HD22 ASN 22 42.715 3.792 -5.120 163 H HIS 23 HN HIS 23 40.729 3.697 0.358 164 HA HIS 23 HA HIS 23 40.077 5.589 2.490 165 HB2 HIS 23 HB2 HIS 23 37.637 5.734 1.856 166 HB3 HIS 23 HB1 HIS 23 38.732 6.642 0.785 167 HD1 HIS 23 HD1 HIS 23 39.124 5.743 -1.625 168 HD2 HIS 23 HD2 HIS 23 36.484 3.400 0.663 169 HE1 HIS 23 HE1 HIS 23 37.942 4.142 -3.227 170 H TYR 24 HN TYR 24 40.052 4.238 4.153 171 HA TYR 24 HA TYR 24 39.397 1.431 3.876 172 HB2 TYR 24 HB2 TYR 24 40.944 2.275 5.602 173 HB3 TYR 24 HB1 TYR 24 39.612 3.177 6.363 174 HD1 TYR 24 HD1 TYR 24 40.695 -0.280 5.359 175 HD2 TYR 24 HD2 TYR 24 38.166 2.100 7.925 176 HE1 TYR 24 HE1 TYR 24 40.051 -2.327 6.624 177 HE2 TYR 24 HE2 TYR 24 37.523 0.052 9.189 178 HH TYR 24 HH TYR 24 38.330 -2.215 9.600 179 H LEU 25 HN LEU 25 37.456 4.125 3.791 180 HA LEU 25 HA LEU 25 35.250 3.181 5.452 181 HB2 LEU 25 HB2 LEU 25 35.010 5.151 3.156 182 HB3 LEU 25 HB1 LEU 25 34.079 5.084 4.672 183 HG LEU 25 HG LEU 25 37.028 5.808 4.375 184 HD11 LEU 25 HD11 LEU 25 35.312 7.540 3.721 185 HD12 LEU 25 HD12 LEU 25 36.319 8.018 5.109 186 HD13 LEU 25 HD13 LEU 25 34.655 7.445 5.372 187 HD21 LEU 25 HD21 LEU 25 36.832 4.621 6.452 188 HD22 LEU 25 HD22 LEU 25 35.257 5.367 6.816 189 HD23 LEU 25 HD23 LEU 25 36.745 6.343 6.884 Start of MODEL 100 1 H1 GLY 1 HT1 GLY 1 62.550 22.197 -9.354 2 H2 GLY 1 HT2 GLY 1 62.477 20.945 -8.207 3 H3 GLY 1 HT3 GLY 1 62.871 20.600 -9.824 4 HA2 GLY 1 HA1 GLY 1 64.913 21.687 -9.680 5 HA3 GLY 1 HA2 GLY 1 64.480 22.345 -8.090 6 H TRP 2 HN TRP 2 63.381 19.148 -8.647 7 HA TRP 2 HA TRP 2 65.832 17.817 -7.713 8 HB2 TRP 2 HB2 TRP 2 63.427 18.148 -5.873 9 HB3 TRP 2 HB1 TRP 2 64.701 16.929 -5.632 10 HD1 TRP 2 HD1 TRP 2 67.316 18.169 -5.812 11 HE1 TRP 2 HE1 TRP 2 68.122 20.254 -4.485 12 HE3 TRP 2 HE3 TRP 2 62.760 20.201 -4.657 13 HZ2 TRP 2 HZ2 TRP 2 66.923 22.486 -3.116 14 HZ3 TRP 2 HZ3 TRP 2 62.616 22.309 -3.339 15 HH2 TRP 2 HH2 TRP 2 64.689 23.451 -2.569 16 H GLY 3 HN GLY 3 62.624 16.765 -6.757 17 HA2 GLY 3 HA1 GLY 3 61.938 15.337 -9.137 18 HA3 GLY 3 HA2 GLY 3 62.841 14.257 -8.055 19 H SER 4 HN SER 4 61.209 16.678 -6.339 20 HA SER 4 HA SER 4 58.657 15.170 -6.114 21 HB2 SER 4 HB2 SER 4 60.545 15.549 -3.755 22 HB3 SER 4 HB1 SER 4 58.877 14.945 -3.656 23 HG SER 4 HG SER 4 59.473 13.123 -4.682 24 H ILE 5 HN ILE 5 57.878 17.150 -7.032 25 HA ILE 5 HA ILE 5 58.296 19.707 -5.833 26 HB ILE 5 HB ILE 5 56.160 20.355 -6.996 27 HG12 ILE 5 HG12 ILE 5 56.107 17.359 -7.587 28 HG13 ILE 5 HG11 ILE 5 54.882 18.297 -6.702 29 HG21 ILE 5 HG21 ILE 5 57.915 18.609 -8.775 30 HG22 ILE 5 HG22 ILE 5 58.461 20.176 -8.129 31 HG23 ILE 5 HG23 ILE 5 57.056 20.105 -9.214 32 HD11 ILE 5 HD1 ILE 5 54.665 19.702 -8.885 33 HD12 ILE 5 HD2 ILE 5 53.964 18.066 -8.877 34 HD13 ILE 5 HD3 ILE 5 55.531 18.357 -9.667 35 H PHE 6 HN PHE 6 55.943 17.122 -5.176 36 HA PHE 6 HA PHE 6 55.473 18.214 -2.497 37 HB2 PHE 6 HB2 PHE 6 53.308 18.352 -4.630 38 HB3 PHE 6 HB1 PHE 6 52.934 18.324 -2.891 39 HD1 PHE 6 HD1 PHE 6 53.980 20.104 -1.381 40 HD2 PHE 6 HD2 PHE 6 54.013 20.381 -5.690 41 HE1 PHE 6 HE1 PHE 6 54.443 22.547 -1.221 42 HE2 PHE 6 HE2 PHE 6 54.474 22.824 -5.528 43 HZ PHE 6 HZ PHE 6 54.677 23.909 -3.294 44 H LYS 7 HN LYS 7 55.864 15.741 -4.606 45 HA LYS 7 HA LYS 7 53.951 13.788 -4.037 46 HB2 LYS 7 HB2 LYS 7 55.866 13.481 -5.584 47 HB3 LYS 7 HB1 LYS 7 56.963 13.377 -4.187 48 HG2 LYS 7 HG2 LYS 7 55.967 11.344 -3.416 49 HG3 LYS 7 HG1 LYS 7 54.557 11.536 -4.486 50 HD2 LYS 7 HD2 LYS 7 56.182 9.833 -5.338 51 HD3 LYS 7 HD1 LYS 7 55.962 11.191 -6.465 52 HE2 LYS 7 HE2 LYS 7 58.060 12.157 -5.891 53 HE3 LYS 7 HE1 LYS 7 58.204 11.177 -4.410 54 HZ1 LYS 7 HZ1 LYS 7 58.652 9.268 -5.639 55 HZ2 LYS 7 HZ2 LYS 7 59.540 10.469 -6.448 56 HZ3 LYS 7 HZ3 LYS 7 58.065 9.922 -7.089 57 H HIS 8 HN HIS 8 56.992 14.338 -2.191 58 HA HIS 8 HA HIS 8 56.022 12.621 0.002 59 HB2 HIS 8 HB2 HIS 8 58.509 14.332 -0.384 60 HB3 HIS 8 HB1 HIS 8 58.186 13.381 1.086 61 HD1 HIS 8 HD1 HIS 8 58.335 10.804 0.944 62 HD2 HIS 8 HD2 HIS 8 59.021 12.737 -2.729 63 HE1 HIS 8 HE1 HIS 8 59.306 9.069 -0.661 64 H GLY 9 HN GLY 9 54.053 14.297 -0.081 65 HA2 GLY 9 HA1 GLY 9 54.272 15.767 2.408 66 HA3 GLY 9 HA2 GLY 9 54.230 16.857 1.008 67 H ARG 10 HN ARG 10 52.580 14.423 -0.217 68 HA ARG 10 HA ARG 10 50.059 14.608 1.248 69 HB2 ARG 10 HB2 ARG 10 48.833 15.710 -0.692 70 HB3 ARG 10 HB1 ARG 10 49.884 16.789 0.260 71 HG2 ARG 10 HG2 ARG 10 51.669 16.587 -1.406 72 HG3 ARG 10 HG1 ARG 10 50.701 15.420 -2.339 73 HD2 ARG 10 HD2 ARG 10 50.626 17.821 -3.199 74 HD3 ARG 10 HD1 ARG 10 49.039 17.085 -2.863 75 HE ARG 10 HE ARG 10 49.963 18.459 -0.517 76 HH11 ARG 10 HH11 ARG 10 48.142 19.898 -0.062 77 HH12 ARG 10 HH12 ARG 10 47.728 21.033 -1.304 78 HH21 ARG 10 HH21 ARG 10 49.720 19.529 -3.710 79 HH22 ARG 10 HH22 ARG 10 48.621 20.824 -3.369 80 H HIS 11 HN HIS 11 51.954 12.640 0.098 81 HA HIS 11 HA HIS 11 49.902 10.993 -1.257 82 HB2 HIS 11 HB2 HIS 11 51.197 12.255 -3.086 83 HB3 HIS 11 HB1 HIS 11 52.630 11.344 -2.556 84 HD1 HIS 11 HD1 HIS 11 49.165 10.863 -4.069 85 HD2 HIS 11 HD2 HIS 11 52.697 8.674 -3.420 86 HE1 HIS 11 HE1 HIS 11 48.918 8.637 -5.298 87 H ALA 12 HN ALA 12 50.129 8.941 -1.128 88 HA ALA 12 HA ALA 12 50.765 6.893 -0.316 89 HB1 ALA 12 HB1 ALA 12 53.066 7.759 -0.957 90 HB2 ALA 12 HB2 ALA 12 52.981 6.537 0.339 91 HB3 ALA 12 HB3 ALA 12 53.119 8.253 0.727 92 H ALA 13 HN ALA 13 51.416 9.862 1.469 93 HA ALA 13 HA ALA 13 50.950 8.637 4.088 94 HB1 ALA 13 HB1 ALA 13 51.718 10.922 4.254 95 HB2 ALA 13 HB2 ALA 13 49.955 11.062 4.457 96 HB3 ALA 13 HB3 ALA 13 50.703 11.441 2.887 97 H LYS 14 HN LYS 14 50.136 8.599 1.018 98 HA LYS 14 HA LYS 14 47.056 8.302 1.476 99 HB2 LYS 14 HB2 LYS 14 48.165 10.011 -0.173 100 HB3 LYS 14 HB1 LYS 14 48.681 8.544 -1.082 101 HG2 LYS 14 HG2 LYS 14 46.536 8.194 -1.917 102 HG3 LYS 14 HG1 LYS 14 45.736 8.667 -0.401 103 HD2 LYS 14 HD2 LYS 14 46.112 11.051 -0.934 104 HD3 LYS 14 HD1 LYS 14 46.960 10.591 -2.430 105 HE2 LYS 14 HE2 LYS 14 44.089 9.789 -1.803 106 HE3 LYS 14 HE1 LYS 14 44.526 11.224 -2.759 107 HZ1 LYS 14 HZ1 LYS 14 45.707 8.639 -3.498 108 HZ2 LYS 14 HZ2 LYS 14 45.288 9.961 -4.479 109 HZ3 LYS 14 HZ3 LYS 14 44.081 8.916 -3.895 110 H HIS 15 HN HIS 15 46.391 6.976 -0.692 111 HA HIS 15 HA HIS 15 46.008 4.719 -1.214 112 HB2 HIS 15 HB2 HIS 15 48.870 5.296 -2.063 113 HB3 HIS 15 HB1 HIS 15 47.966 3.852 -2.580 114 HD1 HIS 15 HD1 HIS 15 45.175 5.633 -2.625 115 HD2 HIS 15 HD2 HIS 15 48.707 6.209 -4.829 116 HE1 HIS 15 HE1 HIS 15 44.571 7.026 -4.680 117 H ILE 16 HN ILE 16 47.261 5.229 1.528 118 HA ILE 16 HA ILE 16 47.298 2.717 2.460 119 HB ILE 16 HB ILE 16 49.233 1.988 1.286 120 HG12 ILE 16 HG12 ILE 16 50.487 2.866 3.913 121 HG13 ILE 16 HG11 ILE 16 49.162 1.683 3.909 122 HG21 ILE 16 HG21 ILE 16 51.402 3.371 1.442 123 HG22 ILE 16 HG22 ILE 16 50.416 4.670 2.116 124 HG23 ILE 16 HG23 ILE 16 50.124 4.115 0.459 125 HD11 ILE 16 HD1 ILE 16 51.193 0.410 3.875 126 HD12 ILE 16 HD2 ILE 16 51.898 1.416 2.592 127 HD13 ILE 16 HD3 ILE 16 50.544 0.323 2.223 128 H GLY 17 HN GLY 17 48.837 5.647 2.599 129 HA2 GLY 17 HA1 GLY 17 48.802 5.713 5.544 130 HA3 GLY 17 HA2 GLY 17 49.216 7.059 4.463 131 H HIS 18 HN HIS 18 46.758 5.967 2.824 132 HA HIS 18 HA HIS 18 44.761 7.696 4.287 133 HB2 HIS 18 HB2 HIS 18 45.210 6.841 1.447 134 HB3 HIS 18 HB1 HIS 18 43.509 6.945 1.944 135 HD1 HIS 18 HD1 HIS 18 46.053 9.258 3.503 136 HD2 HIS 18 HD2 HIS 18 43.149 9.364 0.461 137 HE1 HIS 18 HE1 HIS 18 45.720 11.707 2.854 138 H ALA 19 HN ALA 19 45.137 4.375 2.885 139 HA ALA 19 HA ALA 19 43.823 3.025 4.963 140 HB1 ALA 19 HB1 ALA 19 41.725 4.048 4.751 141 HB2 ALA 19 HB2 ALA 19 41.521 2.650 3.676 142 HB3 ALA 19 HB3 ALA 19 41.889 4.252 2.991 143 H ALA 20 HN ALA 20 45.488 3.135 2.220 144 HA ALA 20 HA ALA 20 46.224 1.521 0.718 145 HB1 ALA 20 HB1 ALA 20 44.852 -0.567 2.440 146 HB2 ALA 20 HB2 ALA 20 46.369 0.219 2.939 147 HB3 ALA 20 HB3 ALA 20 46.313 -0.738 1.439 148 H VAL 21 HN VAL 21 43.255 2.517 1.109 149 HA VAL 21 HA VAL 21 42.230 1.126 -1.315 150 HB VAL 21 HB VAL 21 40.620 1.399 1.265 151 HG11 VAL 21 HG11 VAL 21 39.031 -0.132 -0.150 152 HG12 VAL 21 HG12 VAL 21 39.973 0.437 -1.548 153 HG13 VAL 21 HG13 VAL 21 39.086 1.601 -0.536 154 HG21 VAL 21 HG21 VAL 21 42.243 -0.409 1.503 155 HG22 VAL 21 HG22 VAL 21 41.838 -1.041 -0.110 156 HG23 VAL 21 HG23 VAL 21 40.648 -1.132 1.211 157 H ASN 22 HN ASN 22 42.840 3.761 0.633 158 HA ASN 22 HA ASN 22 42.646 6.029 -0.051 159 HB2 ASN 22 HB2 ASN 22 40.026 5.404 -1.455 160 HB3 ASN 22 HB1 ASN 22 41.033 6.859 -1.590 161 HD21 ASN 22 HD21 ASN 22 43.598 5.264 -1.646 162 HD22 ASN 22 HD22 ASN 22 43.653 4.562 -3.267 163 H HIS 23 HN HIS 23 39.925 4.024 0.922 164 HA HIS 23 HA HIS 23 39.542 5.541 3.349 165 HB2 HIS 23 HB2 HIS 23 37.167 6.287 2.778 166 HB3 HIS 23 HB1 HIS 23 38.478 7.215 2.010 167 HD1 HIS 23 HD1 HIS 23 38.027 3.835 0.579 168 HD2 HIS 23 HD2 HIS 23 36.534 7.699 -0.147 169 HE1 HIS 23 HE1 HIS 23 36.921 3.805 -1.723 170 H TYR 24 HN TYR 24 36.506 4.655 2.191 171 HA TYR 24 HA TYR 24 35.126 2.850 2.585 172 HB2 TYR 24 HB2 TYR 24 36.941 1.671 1.204 173 HB3 TYR 24 HB1 TYR 24 37.597 1.086 2.750 174 HD1 TYR 24 HD1 TYR 24 34.776 0.886 0.368 175 HD2 TYR 24 HD2 TYR 24 36.327 -0.488 4.156 176 HE1 TYR 24 HE1 TYR 24 33.073 -0.934 0.406 177 HE2 TYR 24 HE2 TYR 24 34.626 -2.308 4.192 178 HH TYR 24 HH TYR 24 33.019 -3.322 1.507 179 H LEU 25 HN LEU 25 37.443 3.922 4.764 180 HA LEU 25 HA LEU 25 35.857 3.101 7.024 181 HB2 LEU 25 HB2 LEU 25 37.831 1.747 8.093 182 HB3 LEU 25 HB1 LEU 25 36.753 0.928 6.943 183 HG LEU 25 HG LEU 25 38.374 1.308 5.117 184 HD11 LEU 25 HD11 LEU 25 39.883 2.786 7.306 185 HD12 LEU 25 HD12 LEU 25 39.490 3.334 5.659 186 HD13 LEU 25 HD13 LEU 25 40.736 2.092 5.906 187 HD21 LEU 25 HD21 LEU 25 40.147 -0.211 5.958 188 HD22 LEU 25 HD22 LEU 25 38.536 -0.740 6.499 189 HD23 LEU 25 HD23 LEU 25 39.620 0.104 7.630
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