NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25150 | 2k6r | 15879 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 9.631 -1.463 -11.583 2 H2 GLY 1 HT2 GLY 1 11.253 -1.389 -11.083 3 H3 GLY 1 HT3 GLY 1 10.723 -0.449 -12.395 4 HA2 GLY 1 HA2 GLY 1 10.421 1.293 -11.038 5 HA3 GLY 1 HA1 GLY 1 9.169 0.277 -10.262 6 H GLN 2 HN GLN 2 10.537 2.074 -8.763 7 HA GLN 2 HA GLN 2 11.566 0.380 -6.678 8 HB2 GLN 2 HB2 GLN 2 10.310 3.133 -6.437 9 HB3 GLN 2 HB1 GLN 2 11.354 2.357 -5.245 10 HG2 GLN 2 HG2 GLN 2 13.203 2.319 -6.861 11 HG3 GLN 2 HG1 GLN 2 12.165 3.052 -8.084 12 HE21 GLN 2 HE21 GLN 2 10.816 4.922 -6.281 13 HE22 GLN 2 HE22 GLN 2 11.960 6.092 -5.829 14 H GLN 3 HN GLN 3 10.214 -1.257 -5.987 15 HA GLN 3 HA GLN 3 7.351 -0.949 -5.747 16 HB2 GLN 3 HB2 GLN 3 7.447 -3.121 -4.542 17 HB3 GLN 3 HB1 GLN 3 8.317 -3.161 -6.075 18 HG2 GLN 3 HG2 GLN 3 10.441 -2.698 -4.827 19 HG3 GLN 3 HG1 GLN 3 9.537 -2.829 -3.319 20 HE21 GLN 3 HE21 GLN 3 11.721 -4.627 -4.396 21 HE22 GLN 3 HE22 GLN 3 11.034 -6.179 -4.432 22 H TYR 4 HN TYR 4 6.122 -0.731 -3.860 23 HA TYR 4 HA TYR 4 7.082 1.071 -1.911 24 HB2 TYR 4 HB2 TYR 4 4.673 -0.658 -1.373 25 HB3 TYR 4 HB1 TYR 4 4.863 1.068 -1.124 26 HD1 TYR 4 HD2 TYR 4 4.843 2.631 -3.092 27 HD2 TYR 4 HD1 TYR 4 3.881 -1.540 -3.470 28 HE1 TYR 4 HE2 TYR 4 3.817 3.063 -5.308 29 HE2 TYR 4 HE1 TYR 4 2.875 -1.110 -5.687 30 HH TYR 4 HH TYR 4 2.919 0.504 -7.447 31 H THR 5 HN THR 5 8.408 0.614 -0.150 32 HA THR 5 HA THR 5 8.410 -2.197 0.969 33 HB THR 5 HB THR 5 10.730 -1.963 1.399 34 HG1 THR 5 HG1 THR 5 11.704 0.162 0.967 35 HG21 THR 5 HG21 THR 5 10.418 -0.415 -1.171 36 HG22 THR 5 HG22 THR 5 10.038 -2.135 -1.075 37 HG23 THR 5 HG23 THR 5 11.678 -1.572 -0.755 38 H ALA 6 HN ALA 6 8.305 1.219 1.754 39 HA ALA 6 HA ALA 6 8.412 0.682 4.691 40 HB1 ALA 6 HB1 ALA 6 8.103 3.321 3.196 41 HB2 ALA 6 HB2 ALA 6 9.660 2.630 3.674 42 HB3 ALA 6 HB3 ALA 6 8.493 3.108 4.907 43 H1 NAL 7 H1 NAL 7 3.348 4.790 1.763 44 H3 NAL 7 H3 NAL 7 6.292 2.229 -0.014 45 H4 NAL 7 H4 NAL 7 7.375 4.173 -1.110 46 H5 NAL 7 H5 NAL 7 7.454 6.717 -1.550 47 H6 NAL 7 H6 NAL 7 6.496 8.973 -1.191 48 H7 NAL 7 H7 NAL 7 4.483 9.272 0.230 49 H8 NAL 7 H8 NAL 7 3.405 7.314 1.305 50 H91 NAL 7 H91 NAL 7 3.013 2.429 1.471 51 H92 NAL 7 H92 NAL 7 4.414 1.396 1.174 52 H10 NAL 7 H10 NAL 7 4.246 3.378 3.473 53 HN1 NAL 7 HN1 NAL 7 6.496 2.507 2.426 54 H ILE 8 HN ILE 8 4.731 -0.110 3.062 55 HA ILE 8 HA ILE 8 2.728 -0.617 5.174 56 HB ILE 8 HB ILE 8 1.807 -2.427 3.389 57 HG12 ILE 8 HG12 ILE 8 1.651 -1.445 1.136 58 HG13 ILE 8 HG11 ILE 8 2.618 -0.067 1.635 59 HG21 ILE 8 HG21 ILE 8 -0.008 -0.889 2.830 60 HG22 ILE 8 HG22 ILE 8 0.981 0.497 3.299 61 HG23 ILE 8 HG23 ILE 8 0.446 -0.667 4.520 62 HD11 ILE 8 HD11 ILE 8 4.589 -1.373 1.774 63 HD12 ILE 8 HD12 ILE 8 3.780 -1.973 0.338 64 HD13 ILE 8 HD13 ILE 8 3.684 -2.888 1.830 65 H LYS 9 HN LYS 9 3.510 -2.116 6.461 66 HA LYS 9 HA LYS 9 5.788 -3.786 5.628 67 HB2 LYS 9 HB2 LYS 9 5.986 -2.357 7.673 68 HB3 LYS 9 HB1 LYS 9 4.703 -3.317 8.411 69 HG2 LYS 9 HG2 LYS 9 6.047 -5.336 8.253 70 HG3 LYS 9 HG1 LYS 9 7.298 -4.478 7.354 71 HD2 LYS 9 HD2 LYS 9 7.654 -2.989 9.312 72 HD3 LYS 9 HD1 LYS 9 6.455 -3.919 10.212 73 HE2 LYS 9 HE2 LYS 9 8.767 -4.663 10.723 74 HE3 LYS 9 HE1 LYS 9 7.816 -5.947 9.976 75 HZ1 LYS 9 HZ1 LYS 9 9.113 -5.959 8.179 76 HZ2 LYS 9 HZ2 LYS 9 10.236 -5.104 9.124 77 HZ3 LYS 9 HZ3 LYS 9 9.185 -4.267 8.084 78 H GLY 10 HN GLY 10 5.536 -5.939 5.305 79 HA2 GLY 10 HA2 GLY 10 4.728 -8.134 5.711 80 HA3 GLY 10 HA1 GLY 10 3.488 -7.475 6.772 81 H ARG 11 HN ARG 11 2.840 -5.510 4.437 82 HA ARG 11 HA ARG 11 1.407 -7.440 2.620 83 HB2 ARG 11 HB2 ARG 11 0.242 -4.938 3.893 84 HB3 ARG 11 HB1 ARG 11 -0.571 -5.934 2.693 85 HG2 ARG 11 HG2 ARG 11 0.400 -7.134 5.307 86 HG3 ARG 11 HG1 ARG 11 -1.151 -6.314 5.216 87 HD2 ARG 11 HD2 ARG 11 -0.310 -8.724 3.572 88 HD3 ARG 11 HD1 ARG 11 -1.478 -8.707 4.886 89 HE ARG 11 HE ARG 11 -2.479 -6.839 3.099 90 HH11 ARG 11 HH21 ARG 11 -1.462 -10.137 2.951 91 HH12 ARG 11 HH22 ARG 11 -2.574 -10.559 1.692 92 HH21 ARG 11 HH11 ARG 11 -3.934 -7.379 1.459 93 HH22 ARG 11 HH12 ARG 11 -3.972 -8.999 0.848 94 H THR 12 HN THR 12 2.732 -7.012 0.837 95 HA THR 12 HA THR 12 3.079 -4.213 -0.006 96 HB THR 12 HB THR 12 4.475 -5.953 -1.792 97 HG1 THR 12 HG1 THR 12 5.642 -6.653 0.483 98 HG21 THR 12 HG21 THR 12 6.469 -4.901 -0.864 99 HG22 THR 12 HG22 THR 12 5.577 -4.394 0.572 100 HG23 THR 12 HG23 THR 12 5.195 -3.686 -0.997 101 H PHE 13 HN PHE 13 2.758 -3.708 -2.287 102 HA PHE 13 HA PHE 13 0.428 -5.216 -3.459 103 HB2 PHE 13 HB2 PHE 13 1.105 -2.260 -3.431 104 HB3 PHE 13 HB1 PHE 13 -0.203 -2.959 -4.385 105 HD1 PHE 13 HD1 PHE 13 1.112 -2.782 -0.865 106 HD2 PHE 13 HD2 PHE 13 -2.338 -3.223 -3.385 107 HE1 PHE 13 HE1 PHE 13 -0.354 -2.745 1.124 108 HE2 PHE 13 HE2 PHE 13 -3.791 -3.196 -1.391 109 HZ PHE 13 HZ PHE 13 -2.799 -2.932 0.850 110 H ARG 14 HN ARG 14 0.655 -5.887 -5.527 111 HA ARG 14 HA ARG 14 3.179 -5.276 -6.982 112 HB2 ARG 14 HB2 ARG 14 2.280 -7.632 -6.876 113 HB3 ARG 14 HB1 ARG 14 0.871 -7.092 -7.790 114 HG2 ARG 14 HG2 ARG 14 2.329 -6.403 -9.654 115 HG3 ARG 14 HG1 ARG 14 3.749 -6.918 -8.741 116 HD2 ARG 14 HD2 ARG 14 2.920 -9.222 -8.702 117 HD3 ARG 14 HD1 ARG 14 1.458 -8.727 -9.556 118 HE ARG 14 HE ARG 14 3.518 -7.893 -11.221 119 HH11 ARG 14 HH21 ARG 14 2.574 -10.846 -9.699 120 HH12 ARG 14 HH22 ARG 14 3.219 -11.851 -10.954 121 HH21 ARG 14 HH11 ARG 14 4.363 -9.192 -12.862 122 HH22 ARG 14 HH12 ARG 14 4.231 -10.914 -12.743 123 H ASN 15 HN ASN 15 -0.319 -4.887 -7.230 124 HA ASN 15 HA ASN 15 0.000 -3.020 -9.559 125 HB2 ASN 15 HB2 ASN 15 -2.687 -3.318 -9.371 126 HB3 ASN 15 HB1 ASN 15 -1.689 -4.428 -10.313 127 HD21 ASN 15 HD21 ASN 15 -4.203 -4.563 -8.273 128 HD22 ASN 15 HD22 ASN 15 -3.868 -6.005 -7.443 129 H GLU 16 HN GLU 16 -0.199 -0.899 -9.138 130 HA GLU 16 HA GLU 16 -0.715 0.034 -6.479 131 HB2 GLU 16 HB2 GLU 16 0.642 1.289 -8.182 132 HB3 GLU 16 HB1 GLU 16 -0.853 1.629 -9.055 133 HG2 GLU 16 HG2 GLU 16 -1.754 2.833 -7.142 134 HG3 GLU 16 HG1 GLU 16 -0.350 2.400 -6.166 135 H LYS 17 HN LYS 17 -2.761 -0.782 -9.128 136 HA LYS 17 HA LYS 17 -5.007 0.815 -8.618 137 HB2 LYS 17 HB2 LYS 17 -4.788 -0.629 -10.591 138 HB3 LYS 17 HB1 LYS 17 -4.886 -2.050 -9.551 139 HG2 LYS 17 HG2 LYS 17 -7.159 -1.544 -8.930 140 HG3 LYS 17 HG1 LYS 17 -7.072 0.051 -9.677 141 HD2 LYS 17 HD2 LYS 17 -8.313 -1.612 -11.072 142 HD3 LYS 17 HD1 LYS 17 -6.907 -0.939 -11.893 143 HE2 LYS 17 HE2 LYS 17 -6.633 -3.513 -10.336 144 HE3 LYS 17 HE1 LYS 17 -7.286 -3.537 -11.975 145 HZ1 LYS 17 HZ1 LYS 17 -5.125 -1.936 -12.211 146 HZ2 LYS 17 HZ2 LYS 17 -5.165 -3.589 -12.599 147 HZ3 LYS 17 HZ3 LYS 17 -4.592 -3.084 -11.082 148 H GLU 18 HN GLU 18 -4.095 -2.347 -7.232 149 HA GLU 18 HA GLU 18 -6.391 -2.517 -5.536 150 HB2 GLU 18 HB2 GLU 18 -5.044 -4.479 -6.228 151 HB3 GLU 18 HB1 GLU 18 -3.707 -3.882 -5.247 152 HG2 GLU 18 HG2 GLU 18 -5.048 -4.068 -3.230 153 HG3 GLU 18 HG1 GLU 18 -6.469 -4.508 -4.174 154 H LEU 19 HN LEU 19 -3.154 -1.172 -5.133 155 HA LEU 19 HA LEU 19 -3.392 -0.755 -2.293 156 HB2 LEU 19 HB2 LEU 19 -1.210 -0.758 -3.312 157 HB3 LEU 19 HB1 LEU 19 -1.665 0.534 -4.399 158 HG LEU 19 HG LEU 19 -1.919 1.999 -2.350 159 HD11 LEU 19 HD11 LEU 19 -2.128 0.327 -0.599 160 HD12 LEU 19 HD12 LEU 19 -0.661 1.254 -0.321 161 HD13 LEU 19 HD13 LEU 19 -0.562 -0.350 -1.034 162 HD21 LEU 19 HD21 LEU 19 0.057 2.118 -3.794 163 HD22 LEU 19 HD22 LEU 19 0.799 0.802 -2.884 164 HD23 LEU 19 HD23 LEU 19 0.509 2.358 -2.106 165 H ARG 20 HN ARG 20 -4.283 1.132 -5.144 166 HA ARG 20 HA ARG 20 -4.889 3.590 -3.822 167 HB2 ARG 20 HB2 ARG 20 -4.794 3.278 -6.310 168 HB3 ARG 20 HB1 ARG 20 -6.311 2.386 -6.214 169 HG2 ARG 20 HG2 ARG 20 -7.440 4.357 -5.281 170 HG3 ARG 20 HG1 ARG 20 -5.922 5.254 -5.300 171 HD2 ARG 20 HD2 ARG 20 -5.809 4.949 -7.768 172 HD3 ARG 20 HD1 ARG 20 -7.378 4.145 -7.716 173 HE ARG 20 HE ARG 20 -7.833 6.576 -6.454 174 HH11 ARG 20 HH21 ARG 20 -6.515 5.538 -9.474 175 HH12 ARG 20 HH22 ARG 20 -7.032 6.950 -10.333 176 HH21 ARG 20 HH11 ARG 20 -8.511 8.420 -7.563 177 HH22 ARG 20 HH12 ARG 20 -8.161 8.581 -9.252 178 H ASP 21 HN ASP 21 -6.698 0.652 -4.313 179 HA ASP 21 HA ASP 21 -9.148 1.611 -3.166 180 HB2 ASP 21 HB2 ASP 21 -9.140 -0.247 -4.781 181 HB3 ASP 21 HB1 ASP 21 -8.210 -1.228 -3.650 182 H PHE 22 HN PHE 22 -6.623 -0.638 -2.002 183 HA PHE 22 HA PHE 22 -7.714 -0.922 0.586 184 HB2 PHE 22 HB2 PHE 22 -4.995 -1.316 -0.609 185 HB3 PHE 22 HB1 PHE 22 -5.124 -1.343 1.141 186 HD1 PHE 22 HD2 PHE 22 -7.508 -2.597 -1.476 187 HD2 PHE 22 HD1 PHE 22 -4.885 -3.622 1.776 188 HE1 PHE 22 HE2 PHE 22 -8.285 -4.936 -1.580 189 HE2 PHE 22 HE1 PHE 22 -5.669 -5.956 1.663 190 HZ PHE 22 HZ PHE 22 -7.370 -6.624 -0.012 191 H ILE 23 HN ILE 23 -5.911 1.608 -0.902 192 HA ILE 23 HA ILE 23 -5.011 2.933 1.487 193 HB ILE 23 HB ILE 23 -5.340 3.606 -1.409 194 HG12 ILE 23 HG12 ILE 23 -3.121 4.181 0.593 195 HG13 ILE 23 HG11 ILE 23 -3.218 2.728 -0.393 196 HG21 ILE 23 HG21 ILE 23 -6.407 5.571 -0.592 197 HG22 ILE 23 HG22 ILE 23 -4.749 6.042 -0.926 198 HG23 ILE 23 HG23 ILE 23 -5.254 5.730 0.733 199 HD11 ILE 23 HD11 ILE 23 -1.681 4.392 -1.379 200 HD12 ILE 23 HD12 ILE 23 -2.999 5.559 -1.460 201 HD13 ILE 23 HD13 ILE 23 -3.057 4.094 -2.429 202 H GLU 24 HN GLU 24 -7.921 3.009 -0.437 203 HA GLU 24 HA GLU 24 -9.210 5.129 0.958 204 HB2 GLU 24 HB2 GLU 24 -10.422 2.763 -0.495 205 HB3 GLU 24 HB1 GLU 24 -11.373 4.083 0.166 206 HG2 GLU 24 HG2 GLU 24 -10.090 5.688 -1.225 207 HG3 GLU 24 HG1 GLU 24 -9.197 4.343 -1.932 208 H LYS 25 HN LYS 25 -8.665 1.785 1.738 209 HA LYS 25 HA LYS 25 -10.632 1.663 3.894 210 HB2 LYS 25 HB2 LYS 25 -9.733 -0.351 2.654 211 HB3 LYS 25 HB1 LYS 25 -8.199 -0.106 3.485 212 HG2 LYS 25 HG2 LYS 25 -9.369 -0.315 5.670 213 HG3 LYS 25 HG1 LYS 25 -10.878 -0.634 4.812 214 HD2 LYS 25 HD2 LYS 25 -9.938 -2.638 3.804 215 HD3 LYS 25 HD1 LYS 25 -8.360 -2.295 4.515 216 HE2 LYS 25 HE2 LYS 25 -9.744 -4.005 5.777 217 HE3 LYS 25 HE1 LYS 25 -9.201 -2.633 6.743 218 HZ1 LYS 25 HZ1 LYS 25 -11.342 -1.590 6.438 219 HZ2 LYS 25 HZ2 LYS 25 -11.548 -3.140 7.103 220 HZ3 LYS 25 HZ3 LYS 25 -11.867 -2.870 5.456 221 H PHE 26 HN PHE 26 -7.052 2.062 3.778 222 HA PHE 26 HA PHE 26 -6.711 2.291 6.607 223 HB2 PHE 26 HB2 PHE 26 -5.035 3.862 4.626 224 HB3 PHE 26 HB1 PHE 26 -4.541 3.180 6.169 225 HD1 PHE 26 HD1 PHE 26 -5.820 0.361 5.767 226 HD2 PHE 26 HD2 PHE 26 -3.383 2.841 3.222 227 HE1 PHE 26 HE1 PHE 26 -4.983 -1.646 4.604 228 HE2 PHE 26 HE2 PHE 26 -2.556 0.813 2.053 229 HZ PHE 26 HZ PHE 26 -3.352 -1.426 2.754 230 H11A DNS 27 H22 DNS 27 -1.036 2.233 6.831 231 H12 DNS 27 H23 DNS 27 -1.218 2.245 5.074 232 H13 DNS 27 H24 DNS 27 -2.359 3.153 6.090 233 H21 DNS 27 H21 DNS 27 1.103 3.217 4.688 234 H22 DNS 27 H19 DNS 27 1.218 2.830 6.415 235 H23 DNS 27 H20 DNS 27 1.628 4.453 5.851 236 H4 DNS 27 H14 DNS 27 -0.577 3.423 3.243 237 H5 DNS 27 H15 DNS 27 -1.322 5.039 1.478 238 H6 DNS 27 H16 DNS 27 -2.011 7.363 2.107 239 HZ DNS 27 HZ1 DNS 27 -4.141 8.149 3.925 240 HE3 DNS 27 HE1 DNS 27 -5.053 10.235 2.863 241 HE2 DNS 27 HE2 DNS 27 -4.650 9.435 1.352 242 HD3 DNS 27 HD1 DNS 27 -7.050 9.132 2.272 243 HD2 DNS 27 HD2 DNS 27 -6.203 7.686 1.724 244 HG3 DNS 27 HG1 DNS 27 -5.688 7.007 3.960 245 HG2 DNS 27 HG2 DNS 27 -6.139 8.579 4.624 246 HB3 DNS 27 HB1 DNS 27 -8.470 8.208 4.138 247 HB2 DNS 27 HB2 DNS 27 -8.107 6.751 3.212 248 HA DNS 27 HA DNS 27 -7.351 6.960 6.140 249 H DNS 27 HN DNS 27 -7.184 4.856 4.152 250 H9 DNS 27 H9 DNS 27 -2.296 9.793 6.258 251 H10 DNS 27 H10 DNS 27 -1.552 8.175 8.009 252 H11 DNS 27 H11 DNS 27 -0.865 5.855 7.375 253 H GLY 28 HN GLY 28 -8.907 6.438 7.696 254 HA2 GLY 28 HA2 GLY 28 -11.612 7.107 7.199 255 HA3 GLY 28 HA1 GLY 28 -11.488 5.348 7.129 256 H ARG 29 HN ARG 29 -10.316 8.014 9.218 257 HA ARG 29 HA ARG 29 -11.579 6.907 11.570 258 HB2 ARG 29 HB2 ARG 29 -9.435 6.352 12.772 259 HB3 ARG 29 HB1 ARG 29 -9.819 5.245 11.455 260 HG2 ARG 29 HG2 ARG 29 -8.294 6.490 9.960 261 HG3 ARG 29 HG1 ARG 29 -7.902 7.592 11.281 262 HD2 ARG 29 HD2 ARG 29 -7.427 4.597 11.300 263 HD3 ARG 29 HD1 ARG 29 -6.187 5.824 11.042 264 HE ARG 29 HE ARG 29 -7.351 6.542 13.460 265 HH11 ARG 29 HH21 ARG 29 -5.908 3.704 12.120 266 HH12 ARG 29 HH22 ARG 29 -5.318 3.128 13.643 267 HH21 ARG 29 HH11 ARG 29 -6.585 5.801 15.450 268 HH22 ARG 29 HH12 ARG 29 -5.701 4.314 15.526 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 7.888 1.247 -12.264 2 H2 GLY 1 HT2 GLY 1 9.278 0.549 -11.581 3 H3 GLY 1 HT3 GLY 1 9.352 2.108 -12.253 4 HA2 GLY 1 HA2 GLY 1 8.076 3.147 -10.559 5 HA3 GLY 1 HA1 GLY 1 7.703 1.518 -9.920 6 H GLN 2 HN GLN 2 8.813 3.423 -8.293 7 HA GLN 2 HA GLN 2 11.071 1.943 -7.276 8 HB2 GLN 2 HB2 GLN 2 10.727 3.308 -5.217 9 HB3 GLN 2 HB1 GLN 2 10.754 4.291 -6.681 10 HG2 GLN 2 HG2 GLN 2 8.241 4.207 -6.708 11 HG3 GLN 2 HG1 GLN 2 8.297 3.382 -5.150 12 HE21 GLN 2 HE21 GLN 2 10.384 4.812 -3.873 13 HE22 GLN 2 HE22 GLN 2 9.903 6.427 -3.668 14 H GLN 3 HN GLN 3 11.134 0.300 -5.756 15 HA GLN 3 HA GLN 3 8.709 -1.258 -5.356 16 HB2 GLN 3 HB2 GLN 3 11.427 -1.536 -4.029 17 HB3 GLN 3 HB1 GLN 3 10.155 -2.757 -4.058 18 HG2 GLN 3 HG2 GLN 3 11.475 -1.615 -6.540 19 HG3 GLN 3 HG1 GLN 3 11.937 -3.138 -5.784 20 HE21 GLN 3 HE21 GLN 3 9.574 -4.382 -5.187 21 HE22 GLN 3 HE22 GLN 3 8.620 -4.591 -6.576 22 H TYR 4 HN TYR 4 7.269 -0.995 -3.724 23 HA TYR 4 HA TYR 4 7.559 1.070 -1.798 24 HB2 TYR 4 HB2 TYR 4 5.496 -0.593 -0.819 25 HB3 TYR 4 HB1 TYR 4 5.284 0.782 -1.890 26 HD1 TYR 4 HD1 TYR 4 6.585 -2.741 -2.263 27 HD2 TYR 4 HD2 TYR 4 3.906 0.283 -3.756 28 HE1 TYR 4 HE1 TYR 4 5.857 -4.268 -4.067 29 HE2 TYR 4 HE2 TYR 4 3.185 -1.257 -5.554 30 HH TYR 4 HH TYR 4 4.602 -4.513 -5.869 31 H THR 5 HN THR 5 8.664 1.037 0.101 32 HA THR 5 HA THR 5 9.311 -1.621 1.383 33 HB THR 5 HB THR 5 11.408 -0.718 2.047 34 HG1 THR 5 HG1 THR 5 10.073 1.654 1.644 35 HG21 THR 5 HG21 THR 5 10.975 0.491 -0.685 36 HG22 THR 5 HG22 THR 5 11.131 -1.250 -0.439 37 HG23 THR 5 HG23 THR 5 12.470 -0.176 -0.031 38 H ALA 6 HN ALA 6 8.124 1.622 1.857 39 HA ALA 6 HA ALA 6 7.865 1.189 4.828 40 HB1 ALA 6 HB1 ALA 6 7.768 3.609 5.003 41 HB2 ALA 6 HB2 ALA 6 7.728 3.783 3.245 42 HB3 ALA 6 HB3 ALA 6 9.187 3.184 4.046 43 H1 NAL 7 H1 NAL 7 3.237 4.834 0.918 44 H3 NAL 7 H3 NAL 7 6.259 2.143 -0.504 45 H4 NAL 7 H4 NAL 7 7.426 3.999 -1.661 46 H5 NAL 7 H5 NAL 7 7.553 6.508 -2.264 47 H6 NAL 7 H6 NAL 7 6.593 8.786 -2.113 48 H7 NAL 7 H7 NAL 7 4.502 9.189 -0.835 49 H8 NAL 7 H8 NAL 7 3.349 7.312 0.303 50 H91 NAL 7 H91 NAL 7 2.903 2.424 0.691 51 H92 NAL 7 H92 NAL 7 4.327 1.386 0.613 52 H10 NAL 7 H10 NAL 7 3.847 3.500 2.747 53 HN1 NAL 7 HN1 NAL 7 6.274 2.672 2.060 54 H ILE 8 HN ILE 8 4.406 0.010 2.361 55 HA ILE 8 HA ILE 8 2.345 -0.505 4.443 56 HB ILE 8 HB ILE 8 1.416 -2.261 2.622 57 HG12 ILE 8 HG12 ILE 8 1.323 -1.254 0.378 58 HG13 ILE 8 HG11 ILE 8 2.331 0.085 0.903 59 HG21 ILE 8 HG21 ILE 8 0.082 -0.475 3.741 60 HG22 ILE 8 HG22 ILE 8 -0.345 -0.672 2.041 61 HG23 ILE 8 HG23 ILE 8 0.674 0.682 2.539 62 HD11 ILE 8 HD11 ILE 8 4.237 -1.349 1.139 63 HD12 ILE 8 HD12 ILE 8 3.488 -1.750 -0.404 64 HD13 ILE 8 HD13 ILE 8 3.239 -2.795 0.982 65 H LYS 9 HN LYS 9 3.568 -1.639 5.814 66 HA LYS 9 HA LYS 9 5.561 -3.544 4.862 67 HB2 LYS 9 HB2 LYS 9 6.523 -3.426 6.973 68 HB3 LYS 9 HB1 LYS 9 5.686 -1.879 6.934 69 HG2 LYS 9 HG2 LYS 9 3.718 -3.092 8.091 70 HG3 LYS 9 HG1 LYS 9 4.834 -4.430 8.345 71 HD2 LYS 9 HD2 LYS 9 6.393 -2.866 9.504 72 HD3 LYS 9 HD1 LYS 9 5.191 -1.588 9.335 73 HE2 LYS 9 HE2 LYS 9 5.053 -2.666 11.558 74 HE3 LYS 9 HE1 LYS 9 3.575 -2.914 10.629 75 HZ1 LYS 9 HZ1 LYS 9 3.955 -5.105 10.444 76 HZ2 LYS 9 HZ2 LYS 9 4.938 -4.878 11.811 77 HZ3 LYS 9 HZ3 LYS 9 5.631 -4.922 10.261 78 H GLY 10 HN GLY 10 5.440 -5.750 4.995 79 HA2 GLY 10 HA2 GLY 10 4.593 -7.884 5.497 80 HA3 GLY 10 HA1 GLY 10 3.437 -7.133 6.589 81 H ARG 11 HN ARG 11 2.587 -5.366 4.160 82 HA ARG 11 HA ARG 11 1.049 -7.458 2.627 83 HB2 ARG 11 HB2 ARG 11 -0.103 -4.887 3.755 84 HB3 ARG 11 HB1 ARG 11 -0.972 -6.105 2.821 85 HG2 ARG 11 HG2 ARG 11 -0.558 -7.772 4.583 86 HG3 ARG 11 HG1 ARG 11 0.339 -6.573 5.516 87 HD2 ARG 11 HD2 ARG 11 -1.982 -6.766 6.333 88 HD3 ARG 11 HD1 ARG 11 -1.678 -5.164 5.661 89 HE ARG 11 HE ARG 11 -2.684 -6.617 3.516 90 HH11 ARG 11 HH21 ARG 11 -3.677 -5.902 6.746 91 HH12 ARG 11 HH22 ARG 11 -5.368 -5.965 6.378 92 HH21 ARG 11 HH11 ARG 11 -4.886 -6.701 3.025 93 HH22 ARG 11 HH12 ARG 11 -6.052 -6.417 4.275 94 H THR 12 HN THR 12 2.192 -7.131 0.695 95 HA THR 12 HA THR 12 2.273 -4.392 -0.422 96 HB THR 12 HB THR 12 3.804 -5.932 -2.140 97 HG1 THR 12 HG1 THR 12 4.875 -6.847 0.159 98 HG21 THR 12 HG21 THR 12 5.761 -4.989 -0.971 99 HG22 THR 12 HG22 THR 12 4.745 -4.581 0.412 100 HG23 THR 12 HG23 THR 12 4.483 -3.786 -1.139 101 H PHE 13 HN PHE 13 1.780 -4.156 -2.694 102 HA PHE 13 HA PHE 13 -0.346 -6.063 -3.638 103 HB2 PHE 13 HB2 PHE 13 -0.141 -3.071 -4.092 104 HB3 PHE 13 HB1 PHE 13 -1.474 -4.120 -4.583 105 HD1 PHE 13 HD1 PHE 13 0.375 -2.774 -1.625 106 HD2 PHE 13 HD2 PHE 13 -3.187 -4.735 -3.020 107 HE1 PHE 13 HE1 PHE 13 -0.631 -2.592 0.635 108 HE2 PHE 13 HE2 PHE 13 -4.196 -4.502 -0.775 109 HZ PHE 13 HZ PHE 13 -2.910 -3.417 1.043 110 H ARG 14 HN ARG 14 -0.034 -6.889 -5.658 111 HA ARG 14 HA ARG 14 2.437 -6.424 -7.064 112 HB2 ARG 14 HB2 ARG 14 -0.175 -7.717 -7.934 113 HB3 ARG 14 HB1 ARG 14 1.260 -7.666 -8.958 114 HG2 ARG 14 HG2 ARG 14 2.542 -8.927 -7.320 115 HG3 ARG 14 HG1 ARG 14 1.207 -8.867 -6.171 116 HD2 ARG 14 HD2 ARG 14 -0.197 -10.173 -7.710 117 HD3 ARG 14 HD1 ARG 14 1.117 -10.211 -8.888 118 HE ARG 14 HE ARG 14 2.250 -11.267 -6.582 119 HH11 ARG 14 HH21 ARG 14 -0.532 -11.913 -8.525 120 HH12 ARG 14 HH22 ARG 14 -0.546 -13.607 -8.169 121 HH21 ARG 14 HH11 ARG 14 2.242 -13.471 -6.112 122 HH22 ARG 14 HH12 ARG 14 1.023 -14.489 -6.805 123 H ASN 15 HN ASN 15 -0.874 -5.277 -7.467 124 HA ASN 15 HA ASN 15 0.045 -3.239 -9.475 125 HB2 ASN 15 HB2 ASN 15 -2.562 -2.937 -9.661 126 HB3 ASN 15 HB1 ASN 15 -1.792 -4.294 -10.488 127 HD21 ASN 15 HD21 ASN 15 -4.133 -5.149 -10.233 128 HD22 ASN 15 HD22 ASN 15 -4.479 -6.018 -8.815 129 H GLU 16 HN GLU 16 0.206 -1.192 -8.768 130 HA GLU 16 HA GLU 16 -0.342 -0.512 -6.057 131 HB2 GLU 16 HB2 GLU 16 1.289 0.764 -7.371 132 HB3 GLU 16 HB1 GLU 16 0.028 1.268 -8.494 133 HG2 GLU 16 HG2 GLU 16 -1.067 2.591 -6.801 134 HG3 GLU 16 HG1 GLU 16 -0.035 1.928 -5.536 135 H LYS 17 HN LYS 17 -2.314 -0.687 -8.867 136 HA LYS 17 HA LYS 17 -4.364 1.128 -8.311 137 HB2 LYS 17 HB2 LYS 17 -4.119 -0.380 -10.355 138 HB3 LYS 17 HB1 LYS 17 -4.805 -1.675 -9.383 139 HG2 LYS 17 HG2 LYS 17 -6.807 -0.262 -8.946 140 HG3 LYS 17 HG1 LYS 17 -6.143 0.984 -9.996 141 HD2 LYS 17 HD2 LYS 17 -6.527 -1.843 -11.036 142 HD3 LYS 17 HD1 LYS 17 -7.882 -0.722 -10.997 143 HE2 LYS 17 HE2 LYS 17 -5.254 -0.276 -12.454 144 HE3 LYS 17 HE1 LYS 17 -6.808 -0.643 -13.190 145 HZ1 LYS 17 HZ1 LYS 17 -7.431 1.473 -11.691 146 HZ2 LYS 17 HZ2 LYS 17 -6.968 1.571 -13.322 147 HZ3 LYS 17 HZ3 LYS 17 -5.828 1.849 -12.094 148 H GLU 18 HN GLU 18 -3.952 -2.215 -7.166 149 HA GLU 18 HA GLU 18 -6.319 -2.244 -5.569 150 HB2 GLU 18 HB2 GLU 18 -3.802 -3.910 -5.465 151 HB3 GLU 18 HB1 GLU 18 -5.237 -4.236 -4.488 152 HG2 GLU 18 HG2 GLU 18 -6.588 -4.556 -6.475 153 HG3 GLU 18 HG1 GLU 18 -5.251 -4.061 -7.512 154 H LEU 19 HN LEU 19 -3.007 -1.216 -4.951 155 HA LEU 19 HA LEU 19 -3.357 -0.990 -2.093 156 HB2 LEU 19 HB2 LEU 19 -1.109 -1.083 -2.870 157 HB3 LEU 19 HB1 LEU 19 -1.384 0.174 -4.054 158 HG LEU 19 HG LEU 19 -1.584 1.829 -2.209 159 HD11 LEU 19 HD11 LEU 19 -0.759 -0.457 -0.434 160 HD12 LEU 19 HD12 LEU 19 -2.346 0.286 -0.412 161 HD13 LEU 19 HD13 LEU 19 -0.932 1.215 0.063 162 HD21 LEU 19 HD21 LEU 19 0.920 0.146 -2.156 163 HD22 LEU 19 HD22 LEU 19 0.797 1.803 -1.564 164 HD23 LEU 19 HD23 LEU 19 0.581 1.461 -3.279 165 H ARG 20 HN ARG 20 -3.927 1.112 -4.864 166 HA ARG 20 HA ARG 20 -4.400 3.549 -3.453 167 HB2 ARG 20 HB2 ARG 20 -4.182 3.339 -5.948 168 HB3 ARG 20 HB1 ARG 20 -5.777 2.590 -5.978 169 HG2 ARG 20 HG2 ARG 20 -6.761 4.622 -4.985 170 HG3 ARG 20 HG1 ARG 20 -5.166 5.371 -4.925 171 HD2 ARG 20 HD2 ARG 20 -4.991 5.186 -7.383 172 HD3 ARG 20 HD1 ARG 20 -6.598 4.459 -7.437 173 HE ARG 20 HE ARG 20 -6.998 6.854 -6.094 174 HH11 ARG 20 HH21 ARG 20 -5.584 5.882 -9.091 175 HH12 ARG 20 HH22 ARG 20 -5.992 7.352 -9.910 176 HH21 ARG 20 HH11 ARG 20 -7.534 8.774 -7.150 177 HH22 ARG 20 HH12 ARG 20 -7.094 8.989 -8.811 178 H ASP 21 HN ASP 21 -6.392 0.791 -4.177 179 HA ASP 21 HA ASP 21 -8.832 1.888 -3.136 180 HB2 ASP 21 HB2 ASP 21 -8.012 -0.959 -3.764 181 HB3 ASP 21 HB1 ASP 21 -9.638 -0.489 -3.269 182 H PHE 22 HN PHE 22 -6.541 -0.575 -1.922 183 HA PHE 22 HA PHE 22 -7.793 -0.844 0.599 184 HB2 PHE 22 HB2 PHE 22 -5.079 -1.467 -0.500 185 HB3 PHE 22 HB1 PHE 22 -5.252 -1.484 1.247 186 HD1 PHE 22 HD2 PHE 22 -7.655 -2.501 -1.451 187 HD2 PHE 22 HD1 PHE 22 -5.257 -3.773 1.885 188 HE1 PHE 22 HE2 PHE 22 -8.647 -4.759 -1.592 189 HE2 PHE 22 HE1 PHE 22 -6.254 -6.024 1.736 190 HZ PHE 22 HZ PHE 22 -7.951 -6.527 0.001 191 H ILE 23 HN ILE 23 -5.730 1.586 -0.710 192 HA ILE 23 HA ILE 23 -4.852 2.750 1.773 193 HB ILE 23 HB ILE 23 -4.955 3.532 -1.108 194 HG12 ILE 23 HG12 ILE 23 -2.854 3.893 1.067 195 HG13 ILE 23 HG11 ILE 23 -2.952 2.521 -0.023 196 HG21 ILE 23 HG21 ILE 23 -5.964 5.536 -0.300 197 HG22 ILE 23 HG22 ILE 23 -4.269 5.919 -0.538 198 HG23 ILE 23 HG23 ILE 23 -4.876 5.606 1.087 199 HD11 ILE 23 HD11 ILE 23 -2.332 5.388 -0.725 200 HD12 ILE 23 HD12 ILE 23 -2.722 4.175 -1.934 201 HD13 ILE 23 HD13 ILE 23 -1.293 3.978 -0.929 202 H GLU 24 HN GLU 24 -7.635 3.115 -0.287 203 HA GLU 24 HA GLU 24 -8.836 5.277 1.126 204 HB2 GLU 24 HB2 GLU 24 -10.124 3.088 -0.523 205 HB3 GLU 24 HB1 GLU 24 -11.018 4.446 0.142 206 HG2 GLU 24 HG2 GLU 24 -8.598 4.782 -1.657 207 HG3 GLU 24 HG1 GLU 24 -10.253 4.750 -2.258 208 H LYS 25 HN LYS 25 -8.626 1.862 1.778 209 HA LYS 25 HA LYS 25 -10.750 1.837 3.792 210 HB2 LYS 25 HB2 LYS 25 -8.499 -0.122 3.236 211 HB3 LYS 25 HB1 LYS 25 -9.785 -0.392 4.405 212 HG2 LYS 25 HG2 LYS 25 -11.467 -0.199 2.596 213 HG3 LYS 25 HG1 LYS 25 -10.170 0.039 1.424 214 HD2 LYS 25 HD2 LYS 25 -9.246 -2.171 1.972 215 HD3 LYS 25 HD1 LYS 25 -10.506 -2.410 3.182 216 HE2 LYS 25 HE2 LYS 25 -11.042 -3.538 1.026 217 HE3 LYS 25 HE1 LYS 25 -12.233 -2.309 1.455 218 HZ1 LYS 25 HZ1 LYS 25 -11.366 -0.824 -0.097 219 HZ2 LYS 25 HZ2 LYS 25 -11.360 -2.313 -0.914 220 HZ3 LYS 25 HZ3 LYS 25 -9.917 -1.686 -0.272 221 H PHE 26 HN PHE 26 -7.150 1.914 3.941 222 HA PHE 26 HA PHE 26 -6.981 1.972 6.788 223 HB2 PHE 26 HB2 PHE 26 -5.089 3.544 5.011 224 HB3 PHE 26 HB1 PHE 26 -4.737 2.752 6.540 225 HD1 PHE 26 HD1 PHE 26 -6.137 0.042 5.912 226 HD2 PHE 26 HD2 PHE 26 -3.422 2.503 3.645 227 HE1 PHE 26 HE1 PHE 26 -5.340 -1.950 4.695 228 HE2 PHE 26 HE2 PHE 26 -2.637 0.491 2.420 229 HZ PHE 26 HZ PHE 26 -3.592 -1.732 2.955 230 H11A DNS 27 H22 DNS 27 -0.217 0.897 7.230 231 H12 DNS 27 H23 DNS 27 -1.596 1.743 7.940 232 H13 DNS 27 H24 DNS 27 -0.188 1.343 8.946 233 H21 DNS 27 H21 DNS 27 1.911 2.496 8.597 234 H22 DNS 27 H19 DNS 27 2.027 3.806 7.408 235 H23 DNS 27 H20 DNS 27 1.895 2.131 6.859 236 H4 DNS 27 H14 DNS 27 0.436 1.702 5.213 237 H5 DNS 27 H15 DNS 27 -0.429 2.595 3.036 238 H6 DNS 27 H16 DNS 27 -1.686 4.762 2.973 239 HZ DNS 27 HZ1 DNS 27 -2.707 8.857 4.543 240 HE3 DNS 27 HE1 DNS 27 -4.475 10.009 3.662 241 HE2 DNS 27 HE2 DNS 27 -3.860 9.066 2.314 242 HD3 DNS 27 HD1 DNS 27 -6.444 9.017 2.892 243 HD2 DNS 27 HD2 DNS 27 -5.631 7.527 2.406 244 HG3 DNS 27 HG1 DNS 27 -5.445 6.762 4.663 245 HG2 DNS 27 HG2 DNS 27 -5.878 8.342 5.319 246 HB3 DNS 27 HB1 DNS 27 -8.151 8.135 4.582 247 HB2 DNS 27 HB2 DNS 27 -7.778 6.718 3.598 248 HA DNS 27 HA DNS 27 -7.333 6.682 6.595 249 H DNS 27 HN DNS 27 -7.144 4.697 4.474 250 H9 DNS 27 H9 DNS 27 -3.013 7.991 6.285 251 H10 DNS 27 H10 DNS 27 -2.149 7.098 8.448 252 H11 DNS 27 H11 DNS 27 -0.893 4.935 8.511 253 H GLY 28 HN GLY 28 -9.066 6.229 7.949 254 HA2 GLY 28 HA2 GLY 28 -11.642 7.137 7.312 255 HA3 GLY 28 HA1 GLY 28 -11.662 5.397 7.019 256 H ARG 29 HN ARG 29 -10.545 7.696 9.525 257 HA ARG 29 HA ARG 29 -11.998 6.216 11.601 258 HB2 ARG 29 HB2 ARG 29 -9.923 5.781 12.947 259 HB3 ARG 29 HB1 ARG 29 -10.011 4.818 11.473 260 HG2 ARG 29 HG2 ARG 29 -8.550 6.460 10.323 261 HG3 ARG 29 HG1 ARG 29 -8.433 7.388 11.818 262 HD2 ARG 29 HD2 ARG 29 -7.488 5.369 12.946 263 HD3 ARG 29 HD1 ARG 29 -7.498 4.536 11.390 264 HE ARG 29 HE ARG 29 -6.088 6.879 10.893 265 HH11 ARG 29 HH21 ARG 29 -5.895 4.271 13.148 266 HH12 ARG 29 HH22 ARG 29 -4.174 4.375 13.319 267 HH21 ARG 29 HH11 ARG 29 -3.846 7.022 11.106 268 HH22 ARG 29 HH12 ARG 29 -3.016 5.931 12.164 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 12.789 1.282 -9.770 2 H2 GLY 1 HT2 GLY 1 11.234 0.618 -9.940 3 H3 GLY 1 HT3 GLY 1 12.453 0.226 -11.056 4 HA2 GLY 1 HA2 GLY 1 12.352 -1.716 -9.767 5 HA3 GLY 1 HA1 GLY 1 13.614 -0.722 -8.979 6 H GLN 2 HN GLN 2 12.596 1.315 -7.729 7 HA GLN 2 HA GLN 2 13.049 0.037 -5.187 8 HB2 GLN 2 HB2 GLN 2 11.800 2.743 -5.760 9 HB3 GLN 2 HB1 GLN 2 12.483 2.218 -4.221 10 HG2 GLN 2 HG2 GLN 2 14.695 1.991 -5.243 11 HG3 GLN 2 HG1 GLN 2 14.033 2.428 -6.819 12 HE21 GLN 2 HE21 GLN 2 13.543 4.674 -7.218 13 HE22 GLN 2 HE22 GLN 2 13.984 5.904 -6.136 14 H GLN 3 HN GLN 3 11.529 -1.569 -4.744 15 HA GLN 3 HA GLN 3 8.699 -1.237 -5.227 16 HB2 GLN 3 HB2 GLN 3 10.010 -3.151 -3.273 17 HB3 GLN 3 HB1 GLN 3 8.421 -3.308 -4.025 18 HG2 GLN 3 HG2 GLN 3 9.508 -3.429 -6.254 19 HG3 GLN 3 HG1 GLN 3 11.087 -3.344 -5.471 20 HE21 GLN 3 HE21 GLN 3 10.455 -5.029 -3.189 21 HE22 GLN 3 HE22 GLN 3 10.244 -6.612 -3.765 22 H TYR 4 HN TYR 4 7.067 -0.788 -3.717 23 HA TYR 4 HA TYR 4 7.674 1.162 -1.746 24 HB2 TYR 4 HB2 TYR 4 5.028 0.048 -1.275 25 HB3 TYR 4 HB1 TYR 4 5.431 1.580 -2.020 26 HD1 TYR 4 HD2 TYR 4 6.392 1.398 -4.498 27 HD2 TYR 4 HD1 TYR 4 3.822 -1.504 -2.635 28 HE1 TYR 4 HE2 TYR 4 5.698 0.571 -6.727 29 HE2 TYR 4 HE1 TYR 4 3.137 -2.323 -4.863 30 HH TYR 4 HH TYR 4 3.788 -0.624 -7.732 31 H THR 5 HN THR 5 8.541 0.777 0.269 32 HA THR 5 HA THR 5 8.005 -1.885 1.605 33 HB THR 5 HB THR 5 10.211 -1.880 2.431 34 HG1 THR 5 HG1 THR 5 10.160 0.278 3.169 35 HG21 THR 5 HG21 THR 5 10.002 -2.035 -0.160 36 HG22 THR 5 HG22 THR 5 11.605 -1.732 0.514 37 HG23 THR 5 HG23 THR 5 10.666 -0.400 -0.154 38 H ALA 6 HN ALA 6 8.169 1.582 2.017 39 HA ALA 6 HA ALA 6 7.754 1.470 4.946 40 HB1 ALA 6 HB1 ALA 6 7.777 3.904 4.812 41 HB2 ALA 6 HB2 ALA 6 7.619 3.856 3.053 42 HB3 ALA 6 HB3 ALA 6 9.106 3.289 3.828 43 H1 NAL 7 H1 NAL 7 3.001 4.885 0.927 44 H3 NAL 7 H3 NAL 7 6.315 2.379 -0.140 45 H4 NAL 7 H4 NAL 7 7.524 4.326 -1.096 46 H5 NAL 7 H5 NAL 7 7.593 6.847 -1.647 47 H6 NAL 7 H6 NAL 7 6.502 9.071 -1.597 48 H7 NAL 7 H7 NAL 7 4.243 9.342 -0.604 49 H8 NAL 7 H8 NAL 7 3.051 7.388 0.351 50 H91 NAL 7 H91 NAL 7 2.810 2.526 0.771 51 H92 NAL 7 H92 NAL 7 4.258 1.518 0.686 52 H10 NAL 7 H10 NAL 7 3.699 3.550 2.883 53 HN1 NAL 7 HN1 NAL 7 6.119 2.594 2.084 54 H ILE 8 HN ILE 8 4.421 0.088 2.493 55 HA ILE 8 HA ILE 8 2.299 -0.532 4.486 56 HB ILE 8 HB ILE 8 1.555 -2.350 2.650 57 HG12 ILE 8 HG12 ILE 8 1.537 -1.395 0.383 58 HG13 ILE 8 HG11 ILE 8 2.431 0.016 0.930 59 HG21 ILE 8 HG21 ILE 8 0.678 0.553 2.475 60 HG22 ILE 8 HG22 ILE 8 0.078 -0.614 3.664 61 HG23 ILE 8 HG23 ILE 8 -0.247 -0.853 1.948 62 HD11 ILE 8 HD11 ILE 8 4.398 -1.340 1.346 63 HD12 ILE 8 HD12 ILE 8 3.808 -1.711 -0.264 64 HD13 ILE 8 HD13 ILE 8 3.486 -2.825 1.050 65 H LYS 9 HN LYS 9 3.621 -1.512 5.920 66 HA LYS 9 HA LYS 9 5.744 -3.306 5.081 67 HB2 LYS 9 HB2 LYS 9 5.957 -1.811 7.080 68 HB3 LYS 9 HB1 LYS 9 4.733 -2.795 7.888 69 HG2 LYS 9 HG2 LYS 9 6.145 -4.771 7.729 70 HG3 LYS 9 HG1 LYS 9 7.337 -3.883 6.779 71 HD2 LYS 9 HD2 LYS 9 7.754 -2.376 8.672 72 HD3 LYS 9 HD1 LYS 9 6.532 -3.218 9.625 73 HE2 LYS 9 HE2 LYS 9 7.852 -5.324 9.385 74 HE3 LYS 9 HE1 LYS 9 9.103 -4.409 8.545 75 HZ1 LYS 9 HZ1 LYS 9 9.842 -4.375 10.706 76 HZ2 LYS 9 HZ2 LYS 9 8.280 -4.271 11.366 77 HZ3 LYS 9 HZ3 LYS 9 8.986 -2.912 10.631 78 H GLY 10 HN GLY 10 5.438 -5.423 4.647 79 HA2 GLY 10 HA2 GLY 10 4.807 -7.655 5.232 80 HA3 GLY 10 HA1 GLY 10 3.566 -7.023 6.306 81 H ARG 11 HN ARG 11 2.727 -5.201 3.881 82 HA ARG 11 HA ARG 11 1.357 -7.335 2.247 83 HB2 ARG 11 HB2 ARG 11 0.054 -4.860 3.419 84 HB3 ARG 11 HB1 ARG 11 -0.727 -6.046 2.372 85 HG2 ARG 11 HG2 ARG 11 -0.319 -7.804 4.056 86 HG3 ARG 11 HG1 ARG 11 0.459 -6.618 5.105 87 HD2 ARG 11 HD2 ARG 11 -1.621 -5.331 5.238 88 HD3 ARG 11 HD1 ARG 11 -2.409 -6.456 4.132 89 HE ARG 11 HE ARG 11 -1.507 -8.072 6.203 90 HH11 ARG 11 HH21 ARG 11 -3.436 -5.221 5.912 91 HH12 ARG 11 HH22 ARG 11 -4.407 -5.580 7.300 92 HH21 ARG 11 HH11 ARG 11 -2.767 -8.550 8.015 93 HH22 ARG 11 HH12 ARG 11 -4.029 -7.462 8.489 94 H THR 12 HN THR 12 2.560 -6.917 0.370 95 HA THR 12 HA THR 12 2.547 -4.167 -0.714 96 HB THR 12 HB THR 12 4.057 -5.754 -2.474 97 HG1 THR 12 HG1 THR 12 4.482 -6.555 0.212 98 HG21 THR 12 HG21 THR 12 4.671 -3.508 -1.598 99 HG22 THR 12 HG22 THR 12 6.009 -4.654 -1.488 100 HG23 THR 12 HG23 THR 12 5.080 -4.244 -0.047 101 H PHE 13 HN PHE 13 1.984 -3.954 -3.034 102 HA PHE 13 HA PHE 13 -0.084 -5.963 -3.914 103 HB2 PHE 13 HB2 PHE 13 -0.136 -2.953 -4.264 104 HB3 PHE 13 HB1 PHE 13 -1.401 -4.088 -4.743 105 HD1 PHE 13 HD1 PHE 13 0.498 -2.777 -1.801 106 HD2 PHE 13 HD2 PHE 13 -3.029 -4.829 -3.149 107 HE1 PHE 13 HE1 PHE 13 -0.423 -2.741 0.500 108 HE2 PHE 13 HE2 PHE 13 -3.956 -4.744 -0.856 109 HZ PHE 13 HZ PHE 13 -2.645 -3.687 0.958 110 H ARG 14 HN ARG 14 0.150 -6.692 -5.970 111 HA ARG 14 HA ARG 14 2.488 -6.015 -7.513 112 HB2 ARG 14 HB2 ARG 14 1.270 -8.194 -7.774 113 HB3 ARG 14 HB1 ARG 14 -0.081 -7.322 -8.500 114 HG2 ARG 14 HG2 ARG 14 1.332 -6.572 -10.339 115 HG3 ARG 14 HG1 ARG 14 2.751 -7.306 -9.589 116 HD2 ARG 14 HD2 ARG 14 0.287 -8.804 -10.523 117 HD3 ARG 14 HD1 ARG 14 1.834 -8.753 -11.367 118 HE ARG 14 HE ARG 14 2.487 -9.658 -8.825 119 HH11 ARG 14 HH21 ARG 14 0.273 -10.575 -11.312 120 HH12 ARG 14 HH22 ARG 14 0.314 -12.259 -10.908 121 HH21 ARG 14 HH11 ARG 14 2.550 -11.851 -8.290 122 HH22 ARG 14 HH12 ARG 14 1.602 -12.980 -9.199 123 H ASN 15 HN ASN 15 -0.909 -5.080 -7.661 124 HA ASN 15 HA ASN 15 -0.287 -2.948 -9.679 125 HB2 ASN 15 HB2 ASN 15 -2.997 -2.803 -9.374 126 HB3 ASN 15 HB1 ASN 15 -2.229 -3.862 -10.560 127 HD21 ASN 15 HD21 ASN 15 -3.957 -5.441 -10.414 128 HD22 ASN 15 HD22 ASN 15 -4.136 -6.438 -9.052 129 H GLU 16 HN GLU 16 -0.099 -0.912 -8.933 130 HA GLU 16 HA GLU 16 -0.367 -0.340 -6.137 131 HB2 GLU 16 HB2 GLU 16 -0.122 1.471 -8.566 132 HB3 GLU 16 HB1 GLU 16 -0.166 2.093 -6.916 133 HG2 GLU 16 HG2 GLU 16 1.812 0.718 -6.349 134 HG3 GLU 16 HG1 GLU 16 1.866 0.120 -8.006 135 H LYS 17 HN LYS 17 -2.643 -0.405 -8.743 136 HA LYS 17 HA LYS 17 -4.541 1.428 -7.723 137 HB2 LYS 17 HB2 LYS 17 -4.515 -0.769 -9.720 138 HB3 LYS 17 HB1 LYS 17 -6.093 -0.543 -8.974 139 HG2 LYS 17 HG2 LYS 17 -6.004 0.836 -10.949 140 HG3 LYS 17 HG1 LYS 17 -5.942 1.905 -9.548 141 HD2 LYS 17 HD2 LYS 17 -3.511 2.100 -9.766 142 HD3 LYS 17 HD1 LYS 17 -3.512 0.939 -11.092 143 HE2 LYS 17 HE2 LYS 17 -4.888 2.459 -12.444 144 HE3 LYS 17 HE1 LYS 17 -4.935 3.616 -11.114 145 HZ1 LYS 17 HZ1 LYS 17 -2.363 2.664 -12.199 146 HZ2 LYS 17 HZ2 LYS 17 -2.694 4.085 -11.330 147 HZ3 LYS 17 HZ3 LYS 17 -3.197 3.938 -12.946 148 H GLU 18 HN GLU 18 -4.187 -2.086 -7.207 149 HA GLU 18 HA GLU 18 -6.363 -2.389 -5.449 150 HB2 GLU 18 HB2 GLU 18 -3.719 -3.855 -5.534 151 HB3 GLU 18 HB1 GLU 18 -5.106 -4.374 -4.574 152 HG2 GLU 18 HG2 GLU 18 -5.211 -3.949 -7.575 153 HG3 GLU 18 HG1 GLU 18 -4.906 -5.512 -6.820 154 H LEU 19 HN LEU 19 -3.137 -1.158 -4.957 155 HA LEU 19 HA LEU 19 -3.323 -1.075 -2.053 156 HB2 LEU 19 HB2 LEU 19 -1.130 -1.149 -2.959 157 HB3 LEU 19 HB1 LEU 19 -1.469 0.130 -4.096 158 HG LEU 19 HG LEU 19 -1.615 1.715 -2.129 159 HD11 LEU 19 HD11 LEU 19 -0.451 -0.623 -0.640 160 HD12 LEU 19 HD12 LEU 19 -2.063 0.018 -0.373 161 HD13 LEU 19 HD13 LEU 19 -0.650 1.000 -0.003 162 HD21 LEU 19 HD21 LEU 19 0.813 1.835 -1.802 163 HD22 LEU 19 HD22 LEU 19 0.419 1.523 -3.493 164 HD23 LEU 19 HD23 LEU 19 0.978 0.206 -2.461 165 H ARG 20 HN ARG 20 -3.961 1.156 -4.733 166 HA ARG 20 HA ARG 20 -4.420 3.517 -3.202 167 HB2 ARG 20 HB2 ARG 20 -4.245 3.414 -5.710 168 HB3 ARG 20 HB1 ARG 20 -5.847 2.680 -5.744 169 HG2 ARG 20 HG2 ARG 20 -6.785 4.676 -4.623 170 HG3 ARG 20 HG1 ARG 20 -5.181 5.411 -4.598 171 HD2 ARG 20 HD2 ARG 20 -6.675 4.573 -7.099 172 HD3 ARG 20 HD1 ARG 20 -6.540 6.228 -6.505 173 HE ARG 20 HE ARG 20 -3.906 5.374 -6.710 174 HH11 ARG 20 HH21 ARG 20 -6.657 5.517 -8.793 175 HH12 ARG 20 HH22 ARG 20 -5.719 5.732 -10.233 176 HH21 ARG 20 HH11 ARG 20 -2.673 5.654 -8.580 177 HH22 ARG 20 HH12 ARG 20 -3.465 5.810 -10.112 178 H ASP 21 HN ASP 21 -6.464 0.834 -4.086 179 HA ASP 21 HA ASP 21 -8.862 1.883 -2.907 180 HB2 ASP 21 HB2 ASP 21 -8.104 -0.926 -3.744 181 HB3 ASP 21 HB1 ASP 21 -9.715 -0.457 -3.198 182 H PHE 22 HN PHE 22 -6.585 -0.686 -1.909 183 HA PHE 22 HA PHE 22 -7.798 -1.138 0.601 184 HB2 PHE 22 HB2 PHE 22 -5.109 -1.691 -0.593 185 HB3 PHE 22 HB1 PHE 22 -5.253 -1.849 1.148 186 HD1 PHE 22 HD1 PHE 22 -7.734 -2.626 -1.557 187 HD2 PHE 22 HD2 PHE 22 -5.232 -4.186 1.574 188 HE1 PHE 22 HE1 PHE 22 -8.736 -4.862 -1.863 189 HE2 PHE 22 HE2 PHE 22 -6.242 -6.415 1.262 190 HZ PHE 22 HZ PHE 22 -7.995 -6.763 -0.456 191 H ILE 23 HN ILE 23 -5.735 1.366 -0.554 192 HA ILE 23 HA ILE 23 -4.811 2.328 2.003 193 HB ILE 23 HB ILE 23 -4.940 3.336 -0.813 194 HG12 ILE 23 HG12 ILE 23 -2.770 3.462 1.319 195 HG13 ILE 23 HG11 ILE 23 -2.950 2.160 0.153 196 HG21 ILE 23 HG21 ILE 23 -5.852 5.297 0.171 197 HG22 ILE 23 HG22 ILE 23 -4.143 5.639 -0.035 198 HG23 ILE 23 HG23 ILE 23 -4.764 5.198 1.556 199 HD11 ILE 23 HD11 ILE 23 -2.651 3.818 -1.680 200 HD12 ILE 23 HD12 ILE 23 -1.245 3.708 -0.631 201 HD13 ILE 23 HD13 ILE 23 -2.363 5.061 -0.473 202 H GLU 24 HN GLU 24 -7.610 2.873 -0.003 203 HA GLU 24 HA GLU 24 -8.751 4.979 1.527 204 HB2 GLU 24 HB2 GLU 24 -10.118 2.876 -0.170 205 HB3 GLU 24 HB1 GLU 24 -10.972 4.219 0.572 206 HG2 GLU 24 HG2 GLU 24 -8.597 4.592 -1.280 207 HG3 GLU 24 HG1 GLU 24 -10.270 4.606 -1.835 208 H LYS 25 HN LYS 25 -8.614 1.530 2.013 209 HA LYS 25 HA LYS 25 -10.656 1.474 4.099 210 HB2 LYS 25 HB2 LYS 25 -10.184 -0.570 2.870 211 HB3 LYS 25 HB1 LYS 25 -8.487 -0.502 3.317 212 HG2 LYS 25 HG2 LYS 25 -9.797 -2.155 4.654 213 HG3 LYS 25 HG1 LYS 25 -9.015 -0.934 5.650 214 HD2 LYS 25 HD2 LYS 25 -11.067 0.218 6.052 215 HD3 LYS 25 HD1 LYS 25 -11.885 -0.598 4.720 216 HE2 LYS 25 HE2 LYS 25 -11.729 -2.742 5.952 217 HE3 LYS 25 HE1 LYS 25 -10.935 -1.908 7.289 218 HZ1 LYS 25 HZ1 LYS 25 -12.931 -1.413 8.070 219 HZ2 LYS 25 HZ2 LYS 25 -13.689 -2.111 6.718 220 HZ3 LYS 25 HZ3 LYS 25 -13.233 -0.475 6.690 221 H PHE 26 HN PHE 26 -7.057 1.457 4.095 222 HA PHE 26 HA PHE 26 -6.785 1.434 6.949 223 HB2 PHE 26 HB2 PHE 26 -4.848 2.892 5.123 224 HB3 PHE 26 HB1 PHE 26 -4.502 2.051 6.629 225 HD1 PHE 26 HD1 PHE 26 -6.121 -0.540 5.991 226 HD2 PHE 26 HD2 PHE 26 -3.285 1.765 3.706 227 HE1 PHE 26 HE1 PHE 26 -5.497 -2.559 4.719 228 HE2 PHE 26 HE2 PHE 26 -2.675 -0.274 2.426 229 HZ PHE 26 HZ PHE 26 -3.777 -2.432 2.943 230 H11A DNS 27 H22 DNS 27 -1.955 1.785 8.478 231 H12 DNS 27 H23 DNS 27 -0.836 0.474 8.863 232 H13 DNS 27 H24 DNS 27 -1.465 0.647 7.210 233 H21 DNS 27 H21 DNS 27 2.040 1.863 7.162 234 H22 DNS 27 H19 DNS 27 0.951 0.614 6.529 235 H23 DNS 27 H20 DNS 27 1.441 0.572 8.226 236 H4 DNS 27 H14 DNS 27 -0.734 1.402 5.231 237 H5 DNS 27 H15 DNS 27 -1.290 3.085 3.459 238 H6 DNS 27 H16 DNS 27 -1.175 5.536 3.971 239 HZ DNS 27 HZ1 DNS 27 -2.945 7.632 5.783 240 HE3 DNS 27 HE1 DNS 27 -2.628 8.184 3.195 241 HE2 DNS 27 HE2 DNS 27 -2.974 6.462 3.168 242 HD3 DNS 27 HD1 DNS 27 -4.668 8.637 4.405 243 HD2 DNS 27 HD2 DNS 27 -5.051 7.664 2.985 244 HG3 DNS 27 HG1 DNS 27 -4.938 5.620 4.480 245 HG2 DNS 27 HG2 DNS 27 -4.816 6.714 5.858 246 HB3 DNS 27 HB1 DNS 27 -6.960 7.798 5.089 247 HB2 DNS 27 HB2 DNS 27 -7.112 6.524 3.879 248 HA DNS 27 HA DNS 27 -6.955 6.105 6.884 249 H DNS 27 HN DNS 27 -6.848 4.167 4.649 250 H9 DNS 27 H9 DNS 27 -0.074 8.122 7.880 251 H10 DNS 27 H10 DNS 27 0.478 6.437 9.639 252 H11 DNS 27 H11 DNS 27 0.374 3.992 9.122 253 H GLY 28 HN GLY 28 -8.759 7.853 5.140 254 HA2 GLY 28 HA2 GLY 28 -11.060 8.224 4.813 255 HA3 GLY 28 HA1 GLY 28 -11.336 6.500 5.064 256 H ARG 29 HN ARG 29 -9.947 9.064 7.128 257 HA ARG 29 HA ARG 29 -10.989 8.044 9.557 258 HB2 ARG 29 HB2 ARG 29 -10.553 10.278 10.492 259 HB3 ARG 29 HB1 ARG 29 -9.221 9.771 9.454 260 HG2 ARG 29 HG2 ARG 29 -10.312 11.073 7.572 261 HG3 ARG 29 HG1 ARG 29 -11.449 11.711 8.760 262 HD2 ARG 29 HD2 ARG 29 -8.434 12.019 8.838 263 HD3 ARG 29 HD1 ARG 29 -9.598 13.286 8.450 264 HE ARG 29 HE ARG 29 -10.394 12.386 10.955 265 HH11 ARG 29 HH21 ARG 29 -7.475 13.561 9.530 266 HH12 ARG 29 HH22 ARG 29 -6.886 14.262 11.000 267 HH21 ARG 29 HH11 ARG 29 -9.636 13.294 12.876 268 HH22 ARG 29 HH12 ARG 29 -8.109 14.110 12.893 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 10.348 2.596 -9.638 2 H2 GLY 1 HT2 GLY 1 10.370 2.060 -11.249 3 H3 GLY 1 HT3 GLY 1 11.739 2.818 -10.585 4 HA2 GLY 1 HA2 GLY 1 11.047 0.026 -10.668 5 HA3 GLY 1 HA1 GLY 1 12.442 0.821 -9.878 6 H GLN 2 HN GLN 2 11.700 2.453 -8.004 7 HA GLN 2 HA GLN 2 12.537 0.586 -5.978 8 HB2 GLN 2 HB2 GLN 2 11.263 3.319 -5.626 9 HB3 GLN 2 HB1 GLN 2 12.186 2.438 -4.409 10 HG2 GLN 2 HG2 GLN 2 13.303 3.302 -7.093 11 HG3 GLN 2 HG1 GLN 2 13.530 4.196 -5.592 12 HE21 GLN 2 HE21 GLN 2 14.856 1.718 -7.524 13 HE22 GLN 2 HE22 GLN 2 15.913 1.056 -6.370 14 H GLN 3 HN GLN 3 11.197 -1.025 -5.290 15 HA GLN 3 HA GLN 3 8.318 -0.857 -5.490 16 HB2 GLN 3 HB2 GLN 3 9.931 -2.778 -3.784 17 HB3 GLN 3 HB1 GLN 3 8.276 -2.996 -4.360 18 HG2 GLN 3 HG2 GLN 3 10.713 -2.748 -6.155 19 HG3 GLN 3 HG1 GLN 3 9.924 -4.265 -5.729 20 HE21 GLN 3 HE21 GLN 3 7.943 -4.800 -6.796 21 HE22 GLN 3 HE22 GLN 3 7.266 -3.837 -8.019 22 H TYR 4 HN TYR 4 6.816 -0.591 -3.827 23 HA TYR 4 HA TYR 4 7.468 1.298 -1.816 24 HB2 TYR 4 HB2 TYR 4 4.961 -0.084 -1.220 25 HB3 TYR 4 HB1 TYR 4 5.181 1.548 -1.805 26 HD1 TYR 4 HD2 TYR 4 5.816 1.808 -4.330 27 HD2 TYR 4 HD1 TYR 4 3.899 -1.663 -2.672 28 HE1 TYR 4 HE2 TYR 4 5.007 1.174 -6.583 29 HE2 TYR 4 HE1 TYR 4 3.102 -2.293 -4.926 30 HH TYR 4 HH TYR 4 4.280 -1.349 -7.634 31 H THR 5 HN THR 5 8.523 0.889 0.105 32 HA THR 5 HA THR 5 8.305 -1.866 1.336 33 HB THR 5 HB THR 5 10.556 -1.687 2.030 34 HG1 THR 5 HG1 THR 5 11.477 0.599 1.396 35 HG21 THR 5 HG21 THR 5 10.179 -1.847 -0.529 36 HG22 THR 5 HG22 THR 5 11.790 -1.378 0.019 37 HG23 THR 5 HG23 THR 5 10.667 -0.153 -0.562 38 H ALA 6 HN ALA 6 8.185 1.577 1.913 39 HA ALA 6 HA ALA 6 7.934 1.242 4.863 40 HB1 ALA 6 HB1 ALA 6 9.272 3.135 3.860 41 HB2 ALA 6 HB2 ALA 6 7.971 3.677 4.919 42 HB3 ALA 6 HB3 ALA 6 7.772 3.768 3.165 43 H1 NAL 7 H1 NAL 7 3.122 4.956 1.212 44 H3 NAL 7 H3 NAL 7 6.299 2.419 -0.154 45 H4 NAL 7 H4 NAL 7 7.504 4.373 -1.096 46 H5 NAL 7 H5 NAL 7 7.611 6.914 -1.541 47 H6 NAL 7 H6 NAL 7 6.585 9.159 -1.336 48 H7 NAL 7 H7 NAL 7 4.395 9.442 -0.201 49 H8 NAL 7 H8 NAL 7 3.206 7.478 0.737 50 H91 NAL 7 H91 NAL 7 2.858 2.600 0.940 51 H92 NAL 7 H92 NAL 7 4.281 1.567 0.766 52 H10 NAL 7 H10 NAL 7 3.852 3.540 3.045 53 HN1 NAL 7 HN1 NAL 7 6.225 2.604 2.144 54 H ILE 8 HN ILE 8 4.453 0.074 2.510 55 HA ILE 8 HA ILE 8 2.419 -0.553 4.578 56 HB ILE 8 HB ILE 8 1.524 -2.277 2.710 57 HG12 ILE 8 HG12 ILE 8 1.390 -1.200 0.495 58 HG13 ILE 8 HG11 ILE 8 2.379 0.141 1.056 59 HG21 ILE 8 HG21 ILE 8 0.707 0.649 2.710 60 HG22 ILE 8 HG22 ILE 8 0.150 -0.555 3.883 61 HG23 ILE 8 HG23 ILE 8 -0.278 -0.718 2.179 62 HD11 ILE 8 HD11 ILE 8 3.530 -1.681 -0.311 63 HD12 ILE 8 HD12 ILE 8 3.353 -2.719 1.086 64 HD13 ILE 8 HD13 ILE 8 4.314 -1.236 1.199 65 H LYS 9 HN LYS 9 3.566 -1.792 5.903 66 HA LYS 9 HA LYS 9 5.687 -3.549 4.904 67 HB2 LYS 9 HB2 LYS 9 6.104 -2.114 6.877 68 HB3 LYS 9 HB1 LYS 9 4.833 -2.963 7.749 69 HG2 LYS 9 HG2 LYS 9 6.958 -4.716 6.546 70 HG3 LYS 9 HG1 LYS 9 7.501 -3.681 7.856 71 HD2 LYS 9 HD2 LYS 9 4.967 -5.287 8.266 72 HD3 LYS 9 HD1 LYS 9 6.513 -6.117 8.363 73 HE2 LYS 9 HE2 LYS 9 5.620 -5.227 10.571 74 HE3 LYS 9 HE1 LYS 9 7.258 -4.720 10.165 75 HZ1 LYS 9 HZ1 LYS 9 6.364 -2.641 9.316 76 HZ2 LYS 9 HZ2 LYS 9 5.938 -2.863 10.946 77 HZ3 LYS 9 HZ3 LYS 9 4.790 -3.129 9.722 78 H GLY 10 HN GLY 10 5.605 -5.759 4.909 79 HA2 GLY 10 HA2 GLY 10 4.820 -7.933 5.342 80 HA3 GLY 10 HA1 GLY 10 3.644 -7.256 6.462 81 H ARG 11 HN ARG 11 2.770 -5.408 4.103 82 HA ARG 11 HA ARG 11 1.269 -7.462 2.487 83 HB2 ARG 11 HB2 ARG 11 0.095 -4.972 3.764 84 HB3 ARG 11 HB1 ARG 11 -0.764 -6.096 2.710 85 HG2 ARG 11 HG2 ARG 11 -0.375 -7.918 4.328 86 HG3 ARG 11 HG1 ARG 11 0.483 -6.795 5.386 87 HD2 ARG 11 HD2 ARG 11 -1.539 -5.430 5.619 88 HD3 ARG 11 HD1 ARG 11 -2.405 -6.494 4.511 89 HE ARG 11 HE ARG 11 -1.501 -8.198 6.510 90 HH11 ARG 11 HH21 ARG 11 -3.326 -5.270 6.352 91 HH12 ARG 11 HH22 ARG 11 -4.267 -5.626 7.761 92 HH21 ARG 11 HH11 ARG 11 -2.724 -8.676 8.348 93 HH22 ARG 11 HH12 ARG 11 -3.927 -7.553 8.890 94 H THR 12 HN THR 12 2.409 -7.041 0.573 95 HA THR 12 HA THR 12 2.425 -4.264 -0.451 96 HB THR 12 HB THR 12 3.960 -5.772 -2.230 97 HG1 THR 12 HG1 THR 12 5.119 -6.604 0.057 98 HG21 THR 12 HG21 THR 12 5.909 -4.739 -1.131 99 HG22 THR 12 HG22 THR 12 4.917 -4.341 0.271 100 HG23 THR 12 HG23 THR 12 4.587 -3.582 -1.286 101 H PHE 13 HN PHE 13 1.897 -3.992 -2.735 102 HA PHE 13 HA PHE 13 -0.214 -5.926 -3.670 103 HB2 PHE 13 HB2 PHE 13 -0.044 -2.925 -4.076 104 HB3 PHE 13 HB1 PHE 13 -1.363 -3.978 -4.596 105 HD1 PHE 13 HD1 PHE 13 0.458 -2.673 -1.602 106 HD2 PHE 13 HD2 PHE 13 -3.061 -4.672 -3.047 107 HE1 PHE 13 HE1 PHE 13 -0.557 -2.555 0.658 108 HE2 PHE 13 HE2 PHE 13 -4.079 -4.507 -0.800 109 HZ PHE 13 HZ PHE 13 -2.818 -3.437 1.043 110 H ARG 14 HN ARG 14 0.069 -6.743 -5.686 111 HA ARG 14 HA ARG 14 2.506 -6.258 -7.140 112 HB2 ARG 14 HB2 ARG 14 1.212 -8.371 -7.400 113 HB3 ARG 14 HB1 ARG 14 -0.095 -7.467 -8.168 114 HG2 ARG 14 HG2 ARG 14 1.330 -6.848 -10.023 115 HG3 ARG 14 HG1 ARG 14 2.749 -7.524 -9.223 116 HD2 ARG 14 HD2 ARG 14 0.314 -9.139 -10.031 117 HD3 ARG 14 HD1 ARG 14 1.799 -9.037 -10.977 118 HE ARG 14 HE ARG 14 2.658 -9.822 -8.453 119 HH11 ARG 14 HH21 ARG 14 0.359 -10.938 -10.777 120 HH12 ARG 14 HH22 ARG 14 0.516 -12.602 -10.325 121 HH21 ARG 14 HH11 ARG 14 2.869 -11.987 -7.853 122 HH22 ARG 14 HH12 ARG 14 1.935 -13.196 -8.671 123 H ASN 15 HN ASN 15 -0.829 -5.154 -7.518 124 HA ASN 15 HA ASN 15 0.064 -3.071 -9.492 125 HB2 ASN 15 HB2 ASN 15 -2.575 -2.825 -9.661 126 HB3 ASN 15 HB1 ASN 15 -1.743 -4.088 -10.570 127 HD21 ASN 15 HD21 ASN 15 -3.987 -5.113 -10.425 128 HD22 ASN 15 HD22 ASN 15 -4.327 -6.067 -9.062 129 H GLU 16 HN GLU 16 0.175 -1.033 -8.764 130 HA GLU 16 HA GLU 16 -0.379 -0.400 -6.049 131 HB2 GLU 16 HB2 GLU 16 1.208 0.944 -7.330 132 HB3 GLU 16 HB1 GLU 16 -0.051 1.403 -8.473 133 HG2 GLU 16 HG2 GLU 16 -1.209 2.704 -6.807 134 HG3 GLU 16 HG1 GLU 16 -0.186 2.071 -5.520 135 H LYS 17 HN LYS 17 -2.371 -0.590 -8.840 136 HA LYS 17 HA LYS 17 -4.462 1.163 -8.257 137 HB2 LYS 17 HB2 LYS 17 -4.189 -0.341 -10.305 138 HB3 LYS 17 HB1 LYS 17 -4.847 -1.648 -9.330 139 HG2 LYS 17 HG2 LYS 17 -6.880 -0.297 -8.896 140 HG3 LYS 17 HG1 LYS 17 -6.243 0.988 -9.917 141 HD2 LYS 17 HD2 LYS 17 -6.556 -1.829 -11.008 142 HD3 LYS 17 HD1 LYS 17 -7.931 -0.731 -10.969 143 HE2 LYS 17 HE2 LYS 17 -6.567 0.939 -12.267 144 HE3 LYS 17 HE1 LYS 17 -5.303 -0.280 -12.421 145 HZ1 LYS 17 HZ1 LYS 17 -8.100 -0.755 -13.261 146 HZ2 LYS 17 HZ2 LYS 17 -6.726 -1.685 -13.629 147 HZ3 LYS 17 HZ3 LYS 17 -6.916 -0.141 -14.310 148 H GLU 18 HN GLU 18 -3.960 -2.174 -7.127 149 HA GLU 18 HA GLU 18 -6.314 -2.249 -5.506 150 HB2 GLU 18 HB2 GLU 18 -3.771 -3.874 -5.433 151 HB3 GLU 18 HB1 GLU 18 -5.188 -4.229 -4.442 152 HG2 GLU 18 HG2 GLU 18 -5.269 -4.034 -7.467 153 HG3 GLU 18 HG1 GLU 18 -5.049 -5.550 -6.594 154 H LEU 19 HN LEU 19 -3.006 -1.191 -4.911 155 HA LEU 19 HA LEU 19 -3.326 -0.982 -2.052 156 HB2 LEU 19 HB2 LEU 19 -1.090 -1.032 -2.872 157 HB3 LEU 19 HB1 LEU 19 -1.408 0.234 -4.034 158 HG LEU 19 HG LEU 19 -1.611 1.857 -2.156 159 HD11 LEU 19 HD11 LEU 19 -2.272 0.259 -0.365 160 HD12 LEU 19 HD12 LEU 19 -0.880 1.232 0.083 161 HD13 LEU 19 HD13 LEU 19 -0.656 -0.425 -0.444 162 HD21 LEU 19 HD21 LEU 19 0.940 0.250 -2.212 163 HD22 LEU 19 HD22 LEU 19 0.788 1.891 -1.586 164 HD23 LEU 19 HD23 LEU 19 0.528 1.574 -3.298 165 H ARG 20 HN ARG 20 -3.978 1.133 -4.797 166 HA ARG 20 HA ARG 20 -4.480 3.552 -3.364 167 HB2 ARG 20 HB2 ARG 20 -4.298 3.321 -5.873 168 HB3 ARG 20 HB1 ARG 20 -5.905 2.595 -5.864 169 HG2 ARG 20 HG2 ARG 20 -6.781 4.667 -4.757 170 HG3 ARG 20 HG1 ARG 20 -5.179 5.389 -4.926 171 HD2 ARG 20 HD2 ARG 20 -6.898 4.375 -7.209 172 HD3 ARG 20 HD1 ARG 20 -6.670 6.069 -6.778 173 HE ARG 20 HE ARG 20 -4.086 5.115 -7.143 174 HH11 ARG 20 HH21 ARG 20 -7.014 5.177 -8.975 175 HH12 ARG 20 HH22 ARG 20 -6.207 5.240 -10.506 176 HH21 ARG 20 HH11 ARG 20 -3.024 5.198 -9.132 177 HH22 ARG 20 HH12 ARG 20 -3.951 5.254 -10.595 178 H ASP 21 HN ASP 21 -6.432 0.759 -4.078 179 HA ASP 21 HA ASP 21 -8.872 1.804 -2.980 180 HB2 ASP 21 HB2 ASP 21 -8.021 -1.020 -3.662 181 HB3 ASP 21 HB1 ASP 21 -9.643 -0.583 -3.128 182 H PHE 22 HN PHE 22 -6.528 -0.641 -1.836 183 HA PHE 22 HA PHE 22 -7.731 -0.965 0.701 184 HB2 PHE 22 HB2 PHE 22 -5.021 -1.515 -0.449 185 HB3 PHE 22 HB1 PHE 22 -5.166 -1.561 1.300 186 HD1 PHE 22 HD2 PHE 22 -7.598 -2.588 -1.368 187 HD2 PHE 22 HD1 PHE 22 -5.104 -3.860 1.897 188 HE1 PHE 22 HE2 PHE 22 -8.544 -4.863 -1.526 189 HE2 PHE 22 HE1 PHE 22 -6.055 -6.130 1.730 190 HZ PHE 22 HZ PHE 22 -7.777 -6.640 0.022 191 H ILE 23 HN ILE 23 -5.729 1.514 -0.609 192 HA ILE 23 HA ILE 23 -4.836 2.670 1.870 193 HB ILE 23 HB ILE 23 -5.012 3.492 -1.000 194 HG12 ILE 23 HG12 ILE 23 -2.854 3.860 1.116 195 HG13 ILE 23 HG11 ILE 23 -2.977 2.475 0.044 196 HG21 ILE 23 HG21 ILE 23 -4.321 5.876 -0.376 197 HG22 ILE 23 HG22 ILE 23 -4.924 5.515 1.240 198 HG23 ILE 23 HG23 ILE 23 -6.016 5.472 -0.147 199 HD11 ILE 23 HD11 ILE 23 -1.326 4.084 -0.802 200 HD12 ILE 23 HD12 ILE 23 -2.555 5.346 -0.825 201 HD13 ILE 23 HD13 ILE 23 -2.691 3.964 -1.901 202 H GLU 24 HN GLU 24 -7.663 3.012 -0.145 203 HA GLU 24 HA GLU 24 -8.875 5.143 1.302 204 HB2 GLU 24 HB2 GLU 24 -10.170 2.920 -0.299 205 HB3 GLU 24 HB1 GLU 24 -11.067 4.264 0.391 206 HG2 GLU 24 HG2 GLU 24 -9.665 5.854 -0.882 207 HG3 GLU 24 HG1 GLU 24 -8.795 4.502 -1.604 208 H LYS 25 HN LYS 25 -8.564 1.741 1.943 209 HA LYS 25 HA LYS 25 -10.607 1.638 4.022 210 HB2 LYS 25 HB2 LYS 25 -9.726 -0.357 2.716 211 HB3 LYS 25 HB1 LYS 25 -8.245 -0.237 3.664 212 HG2 LYS 25 HG2 LYS 25 -9.720 -0.383 5.752 213 HG3 LYS 25 HG1 LYS 25 -11.048 -0.808 4.674 214 HD2 LYS 25 HD2 LYS 25 -8.424 -2.315 4.917 215 HD3 LYS 25 HD1 LYS 25 -9.966 -2.826 5.604 216 HE2 LYS 25 HE2 LYS 25 -9.874 -4.047 3.585 217 HE3 LYS 25 HE1 LYS 25 -10.840 -2.645 3.124 218 HZ1 LYS 25 HZ1 LYS 25 -8.039 -2.150 2.876 219 HZ2 LYS 25 HZ2 LYS 25 -9.273 -1.982 1.719 220 HZ3 LYS 25 HZ3 LYS 25 -8.518 -3.487 1.949 221 H PHE 26 HN PHE 26 -7.016 1.867 4.042 222 HA PHE 26 HA PHE 26 -6.791 2.014 6.901 223 HB2 PHE 26 HB2 PHE 26 -4.895 3.463 5.030 224 HB3 PHE 26 HB1 PHE 26 -4.534 2.699 6.572 225 HD1 PHE 26 HD1 PHE 26 -6.009 0.020 6.063 226 HD2 PHE 26 HD2 PHE 26 -3.307 2.341 3.638 227 HE1 PHE 26 HE1 PHE 26 -5.303 -2.027 4.881 228 HE2 PHE 26 HE2 PHE 26 -2.614 0.275 2.450 229 HZ PHE 26 HZ PHE 26 -3.608 -1.906 3.081 230 H11A DNS 27 H22 DNS 27 1.676 2.329 6.286 231 H12 DNS 27 H23 DNS 27 0.957 3.467 7.429 232 H13 DNS 27 H24 DNS 27 2.006 4.063 6.125 233 H21 DNS 27 H21 DNS 27 -0.481 1.422 5.635 234 H22 DNS 27 H19 DNS 27 -1.804 2.525 5.212 235 H23 DNS 27 H20 DNS 27 -1.205 2.469 6.874 236 H4 DNS 27 H14 DNS 27 -1.018 4.525 7.768 237 H5 DNS 27 H15 DNS 27 -2.000 6.828 7.893 238 H6 DNS 27 H16 DNS 27 -2.023 8.298 5.863 239 HZ DNS 27 HZ1 DNS 27 -3.746 9.184 4.478 240 HE3 DNS 27 HE1 DNS 27 -3.724 8.874 1.890 241 HE2 DNS 27 HE2 DNS 27 -3.623 7.191 2.388 242 HD3 DNS 27 HD1 DNS 27 -5.754 9.184 3.190 243 HD2 DNS 27 HD2 DNS 27 -5.947 7.811 2.099 244 HG3 DNS 27 HG1 DNS 27 -5.306 6.296 3.996 245 HG2 DNS 27 HG2 DNS 27 -5.311 7.699 5.063 246 HB3 DNS 27 HB1 DNS 27 -7.682 8.131 4.438 247 HB2 DNS 27 HB2 DNS 27 -7.671 6.666 3.457 248 HA DNS 27 HA DNS 27 -7.046 6.709 6.426 249 H DNS 27 HN DNS 27 -6.960 4.585 4.432 250 H9 DNS 27 H9 DNS 27 -0.531 7.797 1.313 251 H10 DNS 27 H10 DNS 27 0.444 5.500 1.198 252 H11 DNS 27 H11 DNS 27 0.472 4.038 3.228 253 H GLY 28 HN GLY 28 -9.153 4.414 6.263 254 HA2 GLY 28 HA2 GLY 28 -11.664 5.795 5.706 255 HA3 GLY 28 HA1 GLY 28 -11.495 4.201 6.445 256 H ARG 29 HN ARG 29 -10.124 4.577 8.705 257 HA ARG 29 HA ARG 29 -12.018 5.990 10.411 258 HB2 ARG 29 HB2 ARG 29 -9.350 4.689 11.040 259 HB3 ARG 29 HB1 ARG 29 -10.496 5.278 12.244 260 HG2 ARG 29 HG2 ARG 29 -12.220 3.738 11.298 261 HG3 ARG 29 HG1 ARG 29 -10.997 3.092 10.203 262 HD2 ARG 29 HD2 ARG 29 -11.161 1.639 12.152 263 HD3 ARG 29 HD1 ARG 29 -9.608 2.475 12.186 264 HE ARG 29 HE ARG 29 -11.279 4.115 13.676 265 HH11 ARG 29 HH21 ARG 29 -10.385 0.780 13.702 266 HH12 ARG 29 HH22 ARG 29 -10.568 0.610 15.416 267 HH21 ARG 29 HH11 ARG 29 -11.520 3.907 15.910 268 HH22 ARG 29 HH12 ARG 29 -11.210 2.379 16.664 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 9.091 3.510 -10.260 2 H2 GLY 1 HT2 GLY 1 8.825 1.844 -10.459 3 H3 GLY 1 HT3 GLY 1 9.676 2.718 -11.642 4 HA2 GLY 1 HA2 GLY 1 11.323 1.451 -10.470 5 HA3 GLY 1 HA1 GLY 1 11.365 3.123 -9.835 6 H GLN 2 HN GLN 2 9.308 3.634 -8.331 7 HA GLN 2 HA GLN 2 10.961 3.238 -5.928 8 HB2 GLN 2 HB2 GLN 2 9.715 5.366 -6.401 9 HB3 GLN 2 HB1 GLN 2 8.204 4.483 -6.183 10 HG2 GLN 2 HG2 GLN 2 8.794 3.940 -3.885 11 HG3 GLN 2 HG1 GLN 2 10.389 4.667 -4.086 12 HE21 GLN 2 HE21 GLN 2 10.561 6.960 -3.895 13 HE22 GLN 2 HE22 GLN 2 9.238 7.964 -3.547 14 H GLN 3 HN GLN 3 10.874 1.056 -5.354 15 HA GLN 3 HA GLN 3 8.402 -0.474 -5.352 16 HB2 GLN 3 HB2 GLN 3 11.146 -0.949 -4.142 17 HB3 GLN 3 HB1 GLN 3 9.822 -2.099 -3.957 18 HG2 GLN 3 HG2 GLN 3 11.234 -2.728 -5.865 19 HG3 GLN 3 HG1 GLN 3 9.627 -2.262 -6.420 20 HE21 GLN 3 HE21 GLN 3 12.831 -0.706 -5.799 21 HE22 GLN 3 HE22 GLN 3 12.747 0.329 -7.142 22 H TYR 4 HN TYR 4 7.135 -1.033 -3.531 23 HA TYR 4 HA TYR 4 6.878 0.973 -1.536 24 HB2 TYR 4 HB2 TYR 4 5.577 -1.543 -0.754 25 HB3 TYR 4 HB1 TYR 4 4.824 -0.013 -1.186 26 HD1 TYR 4 HD1 TYR 4 6.428 -3.069 -2.636 27 HD2 TYR 4 HD2 TYR 4 3.707 0.206 -3.302 28 HE1 TYR 4 HE1 TYR 4 5.757 -4.056 -4.808 29 HE2 TYR 4 HE2 TYR 4 3.047 -0.792 -5.471 30 HH TYR 4 HH TYR 4 4.405 -3.903 -6.559 31 H THR 5 HN THR 5 8.185 1.218 0.250 32 HA THR 5 HA THR 5 9.476 -1.233 1.456 33 HB THR 5 HB THR 5 11.343 0.189 2.094 34 HG1 THR 5 HG1 THR 5 10.660 2.353 0.620 35 HG21 THR 5 HG21 THR 5 10.694 0.758 -0.798 36 HG22 THR 5 HG22 THR 5 11.238 -0.822 -0.233 37 HG23 THR 5 HG23 THR 5 12.291 0.585 -0.076 38 H ALA 6 HN ALA 6 7.697 1.719 2.042 39 HA ALA 6 HA ALA 6 7.642 1.148 5.006 40 HB1 ALA 6 HB1 ALA 6 8.735 3.318 4.324 41 HB2 ALA 6 HB2 ALA 6 7.300 3.535 5.327 42 HB3 ALA 6 HB3 ALA 6 7.204 3.804 3.582 43 H1 NAL 7 H1 NAL 7 2.682 4.643 1.264 44 H3 NAL 7 H3 NAL 7 5.942 2.200 -0.087 45 H4 NAL 7 H4 NAL 7 6.977 4.144 -1.222 46 H5 NAL 7 H5 NAL 7 6.918 6.656 -1.821 47 H6 NAL 7 H6 NAL 7 5.779 8.851 -1.693 48 H7 NAL 7 H7 NAL 7 3.636 9.086 -0.460 49 H8 NAL 7 H8 NAL 7 2.609 7.121 0.651 50 H91 NAL 7 H91 NAL 7 2.543 2.218 1.051 51 H92 NAL 7 H92 NAL 7 4.040 1.286 0.982 52 H10 NAL 7 H10 NAL 7 3.394 3.364 3.111 53 HN1 NAL 7 HN1 NAL 7 5.856 2.870 2.526 54 H ILE 8 HN ILE 8 4.174 -0.085 2.751 55 HA ILE 8 HA ILE 8 2.151 -0.731 4.808 56 HB ILE 8 HB ILE 8 1.365 -2.553 2.974 57 HG12 ILE 8 HG12 ILE 8 1.207 -1.529 0.729 58 HG13 ILE 8 HG11 ILE 8 2.118 -0.132 1.275 59 HG21 ILE 8 HG21 ILE 8 -0.510 -1.095 2.395 60 HG22 ILE 8 HG22 ILE 8 0.402 0.330 2.904 61 HG23 ILE 8 HG23 ILE 8 -0.104 -0.875 4.098 62 HD11 ILE 8 HD11 ILE 8 3.364 -1.960 -0.039 63 HD12 ILE 8 HD12 ILE 8 3.268 -2.915 1.431 64 HD13 ILE 8 HD13 ILE 8 4.123 -1.370 1.436 65 H LYS 9 HN LYS 9 3.122 -2.069 6.143 66 HA LYS 9 HA LYS 9 5.408 -3.712 5.265 67 HB2 LYS 9 HB2 LYS 9 4.454 -2.837 7.999 68 HB3 LYS 9 HB1 LYS 9 5.764 -3.992 7.765 69 HG2 LYS 9 HG2 LYS 9 6.971 -2.291 6.388 70 HG3 LYS 9 HG1 LYS 9 5.699 -1.128 6.763 71 HD2 LYS 9 HD2 LYS 9 6.188 -1.285 9.141 72 HD3 LYS 9 HD1 LYS 9 7.370 -2.562 8.846 73 HE2 LYS 9 HE2 LYS 9 8.717 -0.992 7.489 74 HE3 LYS 9 HE1 LYS 9 7.547 0.286 7.819 75 HZ1 LYS 9 HZ1 LYS 9 8.349 0.592 9.864 76 HZ2 LYS 9 HZ2 LYS 9 9.719 -0.254 9.323 77 HZ3 LYS 9 HZ3 LYS 9 8.496 -1.069 10.175 78 H GLY 10 HN GLY 10 5.252 -5.883 5.120 79 HA2 GLY 10 HA2 GLY 10 4.532 -8.076 5.686 80 HA3 GLY 10 HA1 GLY 10 3.264 -7.392 6.698 81 H ARG 11 HN ARG 11 2.564 -5.596 4.257 82 HA ARG 11 HA ARG 11 1.234 -7.673 2.532 83 HB2 ARG 11 HB2 ARG 11 -0.118 -5.175 3.620 84 HB3 ARG 11 HB1 ARG 11 -0.840 -6.380 2.562 85 HG2 ARG 11 HG2 ARG 11 -1.639 -7.227 4.575 86 HG3 ARG 11 HG1 ARG 11 -0.076 -8.035 4.591 87 HD2 ARG 11 HD2 ARG 11 0.828 -6.080 5.917 88 HD3 ARG 11 HD1 ARG 11 -0.814 -5.449 6.000 89 HE ARG 11 HE ARG 11 -1.044 -8.055 6.937 90 HH11 ARG 11 HH21 ARG 11 0.882 -5.288 7.684 91 HH12 ARG 11 HH22 ARG 11 1.033 -5.685 9.364 92 HH21 ARG 11 HH11 ARG 11 -0.856 -8.582 9.123 93 HH22 ARG 11 HH12 ARG 11 0.049 -7.548 10.177 94 H THR 12 HN THR 12 2.561 -7.230 0.738 95 HA THR 12 HA THR 12 2.721 -4.448 -0.220 96 HB THR 12 HB THR 12 4.259 -6.016 -1.970 97 HG1 THR 12 HG1 THR 12 5.473 -7.288 -0.492 98 HG21 THR 12 HG21 THR 12 4.903 -3.830 -0.948 99 HG22 THR 12 HG22 THR 12 6.191 -5.029 -0.830 100 HG23 THR 12 HG23 THR 12 5.203 -4.656 0.580 101 H PHE 13 HN PHE 13 2.334 -4.049 -2.501 102 HA PHE 13 HA PHE 13 0.057 -5.710 -3.547 103 HB2 PHE 13 HB2 PHE 13 0.690 -2.755 -3.761 104 HB3 PHE 13 HB1 PHE 13 -0.620 -3.542 -4.641 105 HD1 PHE 13 HD1 PHE 13 0.734 -3.102 -1.153 106 HD2 PHE 13 HD2 PHE 13 -2.740 -3.725 -3.597 107 HE1 PHE 13 HE1 PHE 13 -0.714 -2.918 0.841 108 HE2 PHE 13 HE2 PHE 13 -4.175 -3.538 -1.596 109 HZ PHE 13 HZ PHE 13 -3.157 -3.117 0.607 110 H ARG 14 HN ARG 14 0.074 -6.302 -5.688 111 HA ARG 14 HA ARG 14 2.645 -5.997 -7.164 112 HB2 ARG 14 HB2 ARG 14 1.485 -8.234 -7.069 113 HB3 ARG 14 HB1 ARG 14 0.126 -7.525 -7.941 114 HG2 ARG 14 HG2 ARG 14 1.594 -6.995 -9.840 115 HG3 ARG 14 HG1 ARG 14 2.980 -7.653 -8.968 116 HD2 ARG 14 HD2 ARG 14 2.093 -9.314 -10.546 117 HD3 ARG 14 HD1 ARG 14 1.871 -9.861 -8.884 118 HE ARG 14 HE ARG 14 -0.499 -8.539 -9.479 119 HH11 ARG 14 HH21 ARG 14 1.366 -11.090 -10.874 120 HH12 ARG 14 HH22 ARG 14 -0.008 -11.902 -11.547 121 HH21 ARG 14 HH11 ARG 14 -2.296 -9.588 -10.351 122 HH22 ARG 14 HH12 ARG 14 -2.079 -11.052 -11.251 123 H ASN 15 HN ASN 15 -0.786 -5.223 -7.359 124 HA ASN 15 HA ASN 15 -0.291 -3.338 -9.645 125 HB2 ASN 15 HB2 ASN 15 -3.005 -3.380 -9.428 126 HB3 ASN 15 HB1 ASN 15 -2.121 -4.520 -10.445 127 HD21 ASN 15 HD21 ASN 15 -4.615 -4.543 -8.379 128 HD22 ASN 15 HD22 ASN 15 -4.403 -6.054 -7.635 129 H GLU 16 HN GLU 16 -0.278 -1.217 -9.146 130 HA GLU 16 HA GLU 16 -0.705 -0.353 -6.436 131 HB2 GLU 16 HB2 GLU 16 -0.418 1.187 -9.036 132 HB3 GLU 16 HB1 GLU 16 -0.561 1.977 -7.466 133 HG2 GLU 16 HG2 GLU 16 1.446 0.769 -6.677 134 HG3 GLU 16 HG1 GLU 16 1.598 -0.003 -8.255 135 H LYS 17 HN LYS 17 -2.788 -0.803 -9.151 136 HA LYS 17 HA LYS 17 -4.852 1.005 -8.568 137 HB2 LYS 17 HB2 LYS 17 -4.650 -0.500 -10.600 138 HB3 LYS 17 HB1 LYS 17 -5.240 -1.821 -9.594 139 HG2 LYS 17 HG2 LYS 17 -7.259 -0.339 -9.060 140 HG3 LYS 17 HG1 LYS 17 -6.696 0.734 -10.340 141 HD2 LYS 17 HD2 LYS 17 -7.466 -2.187 -10.639 142 HD3 LYS 17 HD1 LYS 17 -8.369 -0.798 -11.242 143 HE2 LYS 17 HE2 LYS 17 -7.191 -1.528 -13.156 144 HE3 LYS 17 HE1 LYS 17 -6.155 -0.237 -12.548 145 HZ1 LYS 17 HZ1 LYS 17 -4.530 -1.692 -12.261 146 HZ2 LYS 17 HZ2 LYS 17 -5.502 -2.908 -12.943 147 HZ3 LYS 17 HZ3 LYS 17 -5.503 -2.658 -11.263 148 H GLU 18 HN GLU 18 -4.341 -2.323 -7.377 149 HA GLU 18 HA GLU 18 -6.647 -2.314 -5.693 150 HB2 GLU 18 HB2 GLU 18 -5.558 -4.378 -6.492 151 HB3 GLU 18 HB1 GLU 18 -4.146 -4.007 -5.509 152 HG2 GLU 18 HG2 GLU 18 -5.490 -4.133 -3.480 153 HG3 GLU 18 HG1 GLU 18 -6.953 -4.363 -4.429 154 H LEU 19 HN LEU 19 -3.341 -1.227 -5.280 155 HA LEU 19 HA LEU 19 -3.480 -0.967 -2.397 156 HB2 LEU 19 HB2 LEU 19 -1.323 -1.081 -3.495 157 HB3 LEU 19 HB1 LEU 19 -1.715 0.310 -4.480 158 HG LEU 19 HG LEU 19 -1.877 1.570 -2.205 159 HD11 LEU 19 HD11 LEU 19 -0.653 0.729 -0.360 160 HD12 LEU 19 HD12 LEU 19 -0.002 -0.602 -1.310 161 HD13 LEU 19 HD13 LEU 19 -1.704 -0.590 -0.862 162 HD21 LEU 19 HD21 LEU 19 0.553 2.029 -2.231 163 HD22 LEU 19 HD22 LEU 19 -0.138 2.023 -3.854 164 HD23 LEU 19 HD23 LEU 19 0.778 0.628 -3.281 165 H ARG 20 HN ARG 20 -4.245 1.116 -5.153 166 HA ARG 20 HA ARG 20 -4.655 3.550 -3.737 167 HB2 ARG 20 HB2 ARG 20 -4.623 3.481 -6.185 168 HB3 ARG 20 HB1 ARG 20 -6.037 2.439 -6.197 169 HG2 ARG 20 HG2 ARG 20 -6.568 4.824 -6.720 170 HG3 ARG 20 HG1 ARG 20 -7.439 4.220 -5.315 171 HD2 ARG 20 HD2 ARG 20 -6.342 6.564 -5.128 172 HD3 ARG 20 HD1 ARG 20 -6.067 5.441 -3.800 173 HE ARG 20 HE ARG 20 -3.924 4.986 -5.508 174 HH11 ARG 20 HH21 ARG 20 -5.345 7.725 -3.958 175 HH12 ARG 20 HH22 ARG 20 -3.850 8.590 -3.830 176 HH21 ARG 20 HH11 ARG 20 -1.972 6.102 -5.349 177 HH22 ARG 20 HH12 ARG 20 -1.942 7.672 -4.618 178 H ASP 21 HN ASP 21 -6.697 0.786 -4.311 179 HA ASP 21 HA ASP 21 -9.046 1.867 -3.065 180 HB2 ASP 21 HB2 ASP 21 -8.293 -0.967 -3.812 181 HB3 ASP 21 HB1 ASP 21 -9.875 -0.496 -3.195 182 H PHE 22 HN PHE 22 -6.693 -0.639 -2.067 183 HA PHE 22 HA PHE 22 -7.773 -0.978 0.517 184 HB2 PHE 22 HB2 PHE 22 -5.111 -1.523 -0.743 185 HB3 PHE 22 HB1 PHE 22 -5.199 -1.603 1.008 186 HD1 PHE 22 HD1 PHE 22 -7.691 -2.572 -1.622 187 HD2 PHE 22 HD2 PHE 22 -5.167 -3.910 1.596 188 HE1 PHE 22 HE1 PHE 22 -8.660 -4.837 -1.797 189 HE2 PHE 22 HE2 PHE 22 -6.144 -6.166 1.413 190 HZ PHE 22 HZ PHE 22 -7.892 -6.641 -0.280 191 H ILE 23 HN ILE 23 -5.807 1.495 -0.852 192 HA ILE 23 HA ILE 23 -4.809 2.625 1.601 193 HB ILE 23 HB ILE 23 -5.093 3.472 -1.255 194 HG12 ILE 23 HG12 ILE 23 -2.819 3.799 0.739 195 HG13 ILE 23 HG11 ILE 23 -3.040 2.380 -0.276 196 HG21 ILE 23 HG21 ILE 23 -4.853 5.453 1.009 197 HG22 ILE 23 HG22 ILE 23 -5.993 5.469 -0.340 198 HG23 ILE 23 HG23 ILE 23 -4.297 5.827 -0.622 199 HD11 ILE 23 HD11 ILE 23 -1.399 3.962 -1.248 200 HD12 ILE 23 HD12 ILE 23 -2.644 5.209 -1.296 201 HD13 ILE 23 HD13 ILE 23 -2.803 3.764 -2.286 202 H GLU 24 HN GLU 24 -7.710 3.005 -0.309 203 HA GLU 24 HA GLU 24 -8.828 5.158 1.174 204 HB2 GLU 24 HB2 GLU 24 -10.229 2.936 -0.335 205 HB3 GLU 24 HB1 GLU 24 -11.076 4.295 0.383 206 HG2 GLU 24 HG2 GLU 24 -8.818 4.624 -1.617 207 HG3 GLU 24 HG1 GLU 24 -10.519 4.574 -2.074 208 H LYS 25 HN LYS 25 -8.527 1.761 1.834 209 HA LYS 25 HA LYS 25 -10.457 1.723 4.031 210 HB2 LYS 25 HB2 LYS 25 -9.764 -0.313 2.702 211 HB3 LYS 25 HB1 LYS 25 -8.192 -0.227 3.493 212 HG2 LYS 25 HG2 LYS 25 -9.307 -0.426 5.703 213 HG3 LYS 25 HG1 LYS 25 -10.866 -0.566 4.890 214 HD2 LYS 25 HD2 LYS 25 -10.095 -2.592 3.730 215 HD3 LYS 25 HD1 LYS 25 -8.521 -2.450 4.513 216 HE2 LYS 25 HE2 LYS 25 -10.045 -4.074 5.662 217 HE3 LYS 25 HE1 LYS 25 -9.525 -2.751 6.706 218 HZ1 LYS 25 HZ1 LYS 25 -12.004 -2.467 5.155 219 HZ2 LYS 25 HZ2 LYS 25 -11.575 -1.765 6.642 220 HZ3 LYS 25 HZ3 LYS 25 -12.022 -3.403 6.570 221 H PHE 26 HN PHE 26 -6.862 1.813 3.833 222 HA PHE 26 HA PHE 26 -6.444 1.929 6.666 223 HB2 PHE 26 HB2 PHE 26 -4.655 3.349 4.670 224 HB3 PHE 26 HB1 PHE 26 -4.201 2.601 6.196 225 HD1 PHE 26 HD1 PHE 26 -5.760 -0.067 5.805 226 HD2 PHE 26 HD2 PHE 26 -3.158 2.185 3.214 227 HE1 PHE 26 HE1 PHE 26 -5.158 -2.134 4.604 228 HE2 PHE 26 HE2 PHE 26 -2.570 0.097 2.003 229 HZ PHE 26 HZ PHE 26 -3.567 -2.058 2.713 230 H11A DNS 27 H22 DNS 27 0.066 3.447 6.860 231 H12 DNS 27 H23 DNS 27 -0.488 5.054 7.344 232 H13 DNS 27 H24 DNS 27 1.019 4.396 8.017 233 H21 DNS 27 H21 DNS 27 2.882 4.645 4.860 234 H22 DNS 27 H19 DNS 27 2.136 3.225 5.615 235 H23 DNS 27 H20 DNS 27 3.052 4.365 6.607 236 H4 DNS 27 H14 DNS 27 0.023 2.972 4.670 237 H5 DNS 27 H15 DNS 27 -1.360 3.231 2.598 238 H6 DNS 27 H16 DNS 27 -1.811 5.505 1.659 239 HZ DNS 27 HZ1 DNS 27 -2.855 7.000 2.836 240 HE3 DNS 27 HE1 DNS 27 -3.677 9.086 3.299 241 HE2 DNS 27 HE2 DNS 27 -4.021 9.376 1.605 242 HD3 DNS 27 HD1 DNS 27 -6.123 9.011 2.661 243 HD2 DNS 27 HD2 DNS 27 -5.771 7.552 1.737 244 HG3 DNS 27 HG1 DNS 27 -5.123 6.345 3.710 245 HG2 DNS 27 HG2 DNS 27 -5.113 7.812 4.688 246 HB3 DNS 27 HB1 DNS 27 -7.549 8.058 4.346 247 HB2 DNS 27 HB2 DNS 27 -7.563 6.582 3.383 248 HA DNS 27 HA DNS 27 -6.570 6.650 6.248 249 H DNS 27 HN DNS 27 -6.723 4.552 4.259 250 H9 DNS 27 H9 DNS 27 -0.520 9.987 2.902 251 H10 DNS 27 H10 DNS 27 0.859 9.712 4.963 252 H11 DNS 27 H11 DNS 27 1.287 7.436 5.904 253 H GLY 28 HN GLY 28 -8.468 4.652 7.049 254 HA2 GLY 28 HA2 GLY 28 -11.163 5.770 6.560 255 HA3 GLY 28 HA1 GLY 28 -10.784 4.339 7.519 256 H ARG 29 HN ARG 29 -9.259 5.001 9.503 257 HA ARG 29 HA ARG 29 -9.282 6.006 11.623 258 HB2 ARG 29 HB2 ARG 29 -9.830 8.519 10.016 259 HB3 ARG 29 HB1 ARG 29 -9.125 8.431 11.630 260 HG2 ARG 29 HG2 ARG 29 -7.199 7.183 10.729 261 HG3 ARG 29 HG1 ARG 29 -7.899 7.264 9.113 262 HD2 ARG 29 HD2 ARG 29 -7.125 9.658 10.807 263 HD3 ARG 29 HD1 ARG 29 -6.195 9.028 9.447 264 HE ARG 29 HE ARG 29 -8.714 9.487 8.375 265 HH11 ARG 29 HH21 ARG 29 -6.380 11.319 10.143 266 HH12 ARG 29 HH22 ARG 29 -6.819 12.827 9.414 267 HH21 ARG 29 HH11 ARG 29 -9.297 11.446 7.420 268 HH22 ARG 29 HH12 ARG 29 -8.470 12.899 7.874 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 10.466 1.076 -11.346 2 H2 GLY 1 HT2 GLY 1 12.125 1.090 -10.982 3 H3 GLY 1 HT3 GLY 1 11.424 2.400 -11.805 4 HA2 GLY 1 HA2 GLY 1 11.334 3.461 -9.829 5 HA3 GLY 1 HA1 GLY 1 10.027 2.281 -9.506 6 H GLN 2 HN GLN 2 11.555 3.259 -7.450 7 HA GLN 2 HA GLN 2 12.397 0.779 -6.237 8 HB2 GLN 2 HB2 GLN 2 11.504 3.354 -4.900 9 HB3 GLN 2 HB1 GLN 2 12.431 2.060 -4.142 10 HG2 GLN 2 HG2 GLN 2 13.367 3.621 -6.569 11 HG3 GLN 2 HG1 GLN 2 13.849 3.984 -4.913 12 HE21 GLN 2 HE21 GLN 2 14.641 1.796 -3.711 13 HE22 GLN 2 HE22 GLN 2 15.734 0.864 -4.615 14 H GLN 3 HN GLN 3 11.113 -0.815 -5.444 15 HA GLN 3 HA GLN 3 8.235 -0.579 -5.486 16 HB2 GLN 3 HB2 GLN 3 8.260 -2.822 -4.411 17 HB3 GLN 3 HB1 GLN 3 9.260 -2.745 -5.861 18 HG2 GLN 3 HG2 GLN 3 11.261 -2.353 -4.416 19 HG3 GLN 3 HG1 GLN 3 10.238 -2.565 -2.996 20 HE21 GLN 3 HE21 GLN 3 10.253 -4.662 -2.194 21 HE22 GLN 3 HE22 GLN 3 10.539 -6.059 -3.114 22 H TYR 4 HN TYR 4 6.816 -0.556 -3.720 23 HA TYR 4 HA TYR 4 7.504 1.176 -1.602 24 HB2 TYR 4 HB2 TYR 4 5.126 -0.560 -1.157 25 HB3 TYR 4 HB1 TYR 4 5.210 1.186 -1.209 26 HD1 TYR 4 HD2 TYR 4 6.278 1.813 -3.824 27 HD2 TYR 4 HD1 TYR 4 3.487 -1.278 -2.732 28 HE1 TYR 4 HE2 TYR 4 5.396 1.783 -6.135 29 HE2 TYR 4 HE1 TYR 4 2.615 -1.297 -5.047 30 HH TYR 4 HH TYR 4 3.024 1.076 -7.190 31 H THR 5 HN THR 5 8.723 0.681 0.208 32 HA THR 5 HA THR 5 8.662 -2.146 1.284 33 HB THR 5 HB THR 5 10.947 -1.933 1.873 34 HG1 THR 5 HG1 THR 5 12.000 0.067 1.809 35 HG21 THR 5 HG21 THR 5 10.876 -0.329 -0.676 36 HG22 THR 5 HG22 THR 5 10.414 -2.031 -0.663 37 HG23 THR 5 HG23 THR 5 12.048 -1.552 -0.198 38 H ALA 6 HN ALA 6 8.508 1.260 2.052 39 HA ALA 6 HA ALA 6 8.401 0.743 4.992 40 HB1 ALA 6 HB1 ALA 6 9.756 2.659 4.058 41 HB2 ALA 6 HB2 ALA 6 8.513 3.166 5.201 42 HB3 ALA 6 HB3 ALA 6 8.250 3.375 3.466 43 H1 NAL 7 H1 NAL 7 3.566 4.795 1.733 44 H3 NAL 7 H3 NAL 7 6.579 2.235 0.073 45 H4 NAL 7 H4 NAL 7 7.759 4.190 -0.896 46 H5 NAL 7 H5 NAL 7 7.902 6.744 -1.260 47 H6 NAL 7 H6 NAL 7 6.954 9.003 -0.900 48 H7 NAL 7 H7 NAL 7 4.857 9.297 0.397 49 H8 NAL 7 H8 NAL 7 3.684 7.327 1.345 50 H91 NAL 7 H91 NAL 7 3.217 2.450 1.369 51 H92 NAL 7 H92 NAL 7 4.610 1.395 1.109 52 H10 NAL 7 H10 NAL 7 4.337 3.320 3.454 53 HN1 NAL 7 HN1 NAL 7 6.638 2.364 2.454 54 H ILE 8 HN ILE 8 4.810 -0.152 2.879 55 HA ILE 8 HA ILE 8 2.818 -0.742 4.977 56 HB ILE 8 HB ILE 8 1.835 -2.431 3.116 57 HG12 ILE 8 HG12 ILE 8 1.680 -1.333 0.910 58 HG13 ILE 8 HG11 ILE 8 2.707 -0.017 1.463 59 HG21 ILE 8 HG21 ILE 8 0.535 -0.678 4.342 60 HG22 ILE 8 HG22 ILE 8 0.051 -0.832 2.653 61 HG23 ILE 8 HG23 ILE 8 1.080 0.515 3.151 62 HD11 ILE 8 HD11 ILE 8 4.627 -1.369 1.473 63 HD12 ILE 8 HD12 ILE 8 3.743 -1.954 0.066 64 HD13 ILE 8 HD13 ILE 8 3.691 -2.867 1.559 65 H LYS 9 HN LYS 9 3.601 -2.320 6.169 66 HA LYS 9 HA LYS 9 5.866 -3.944 5.212 67 HB2 LYS 9 HB2 LYS 9 6.103 -2.613 7.316 68 HB3 LYS 9 HB1 LYS 9 4.838 -3.611 8.035 69 HG2 LYS 9 HG2 LYS 9 6.183 -5.615 7.754 70 HG3 LYS 9 HG1 LYS 9 7.413 -4.712 6.868 71 HD2 LYS 9 HD2 LYS 9 7.807 -3.315 8.886 72 HD3 LYS 9 HD1 LYS 9 6.633 -4.292 9.769 73 HE2 LYS 9 HE2 LYS 9 9.232 -5.255 8.543 74 HE3 LYS 9 HE1 LYS 9 8.857 -5.135 10.261 75 HZ1 LYS 9 HZ1 LYS 9 7.054 -6.743 9.906 76 HZ2 LYS 9 HZ2 LYS 9 8.579 -7.389 9.529 77 HZ3 LYS 9 HZ3 LYS 9 7.527 -6.907 8.286 78 H GLY 10 HN GLY 10 5.779 -6.160 5.116 79 HA2 GLY 10 HA2 GLY 10 4.927 -8.341 5.323 80 HA3 GLY 10 HA1 GLY 10 3.711 -7.721 6.435 81 H ARG 11 HN ARG 11 3.004 -5.680 4.194 82 HA ARG 11 HA ARG 11 1.528 -7.545 2.345 83 HB2 ARG 11 HB2 ARG 11 0.361 -5.075 3.672 84 HB3 ARG 11 HB1 ARG 11 -0.476 -6.152 2.563 85 HG2 ARG 11 HG2 ARG 11 0.676 -7.061 5.221 86 HG3 ARG 11 HG1 ARG 11 -0.986 -6.520 5.028 87 HD2 ARG 11 HD2 ARG 11 0.326 -8.951 3.779 88 HD3 ARG 11 HD1 ARG 11 -1.045 -8.906 4.878 89 HE ARG 11 HE ARG 11 -1.926 -7.451 2.693 90 HH11 ARG 11 HH21 ARG 11 -0.530 -10.568 3.206 91 HH12 ARG 11 HH22 ARG 11 -1.355 -11.300 1.870 92 HH21 ARG 11 HH11 ARG 11 -3.007 -8.394 0.951 93 HH22 ARG 11 HH12 ARG 11 -2.756 -10.071 0.595 94 H THR 12 HN THR 12 2.787 -7.044 0.538 95 HA THR 12 HA THR 12 3.047 -4.211 -0.237 96 HB THR 12 HB THR 12 4.485 -5.730 -2.118 97 HG1 THR 12 HG1 THR 12 4.067 -7.486 -0.583 98 HG21 THR 12 HG21 THR 12 5.227 -3.618 -1.015 99 HG22 THR 12 HG22 THR 12 6.477 -4.863 -0.986 100 HG23 THR 12 HG23 THR 12 5.536 -4.525 0.466 101 H PHE 13 HN PHE 13 2.623 -3.668 -2.488 102 HA PHE 13 HA PHE 13 0.302 -5.231 -3.597 103 HB2 PHE 13 HB2 PHE 13 0.922 -2.264 -3.608 104 HB3 PHE 13 HB1 PHE 13 -0.420 -2.998 -4.487 105 HD1 PHE 13 HD1 PHE 13 1.073 -2.730 -1.045 106 HD2 PHE 13 HD2 PHE 13 -2.490 -3.341 -3.373 107 HE1 PHE 13 HE1 PHE 13 -0.294 -2.683 1.016 108 HE2 PHE 13 HE2 PHE 13 -3.840 -3.304 -1.308 109 HZ PHE 13 HZ PHE 13 -2.746 -2.954 0.874 110 H ARG 14 HN ARG 14 0.458 -5.892 -5.675 111 HA ARG 14 HA ARG 14 2.913 -5.263 -7.221 112 HB2 ARG 14 HB2 ARG 14 0.536 -7.057 -7.847 113 HB3 ARG 14 HB1 ARG 14 2.000 -6.929 -8.822 114 HG2 ARG 14 HG2 ARG 14 3.348 -7.701 -6.900 115 HG3 ARG 14 HG1 ARG 14 1.880 -7.844 -5.932 116 HD2 ARG 14 HD2 ARG 14 2.491 -10.035 -6.839 117 HD3 ARG 14 HD1 ARG 14 0.985 -9.482 -7.572 118 HE ARG 14 HE ARG 14 2.945 -8.585 -9.321 119 HH11 ARG 14 HH21 ARG 14 2.066 -11.603 -7.890 120 HH12 ARG 14 HH22 ARG 14 2.616 -12.548 -9.234 121 HH21 ARG 14 HH11 ARG 14 3.665 -9.805 -11.077 122 HH22 ARG 14 HH12 ARG 14 3.521 -11.531 -11.036 123 H ASN 15 HN ASN 15 -0.583 -4.830 -7.311 124 HA ASN 15 HA ASN 15 -0.344 -2.890 -9.590 125 HB2 ASN 15 HB2 ASN 15 -3.034 -3.197 -9.278 126 HB3 ASN 15 HB1 ASN 15 -2.080 -4.239 -10.336 127 HD21 ASN 15 HD21 ASN 15 -4.466 -4.498 -8.135 128 HD22 ASN 15 HD22 ASN 15 -4.082 -5.994 -7.429 129 H GLU 16 HN GLU 16 -0.512 -0.781 -9.080 130 HA GLU 16 HA GLU 16 -0.933 0.051 -6.364 131 HB2 GLU 16 HB2 GLU 16 -0.983 1.631 -8.957 132 HB3 GLU 16 HB1 GLU 16 -1.037 2.363 -7.355 133 HG2 GLU 16 HG2 GLU 16 1.261 2.403 -8.091 134 HG3 GLU 16 HG1 GLU 16 1.133 1.183 -6.827 135 H LYS 17 HN LYS 17 -3.048 -0.645 -8.992 136 HA LYS 17 HA LYS 17 -5.274 0.934 -8.355 137 HB2 LYS 17 HB2 LYS 17 -4.982 -0.570 -10.372 138 HB3 LYS 17 HB1 LYS 17 -5.389 -1.933 -9.331 139 HG2 LYS 17 HG2 LYS 17 -7.539 -0.683 -8.741 140 HG3 LYS 17 HG1 LYS 17 -7.140 0.439 -10.042 141 HD2 LYS 17 HD2 LYS 17 -7.589 -2.550 -10.313 142 HD3 LYS 17 HD1 LYS 17 -8.664 -1.275 -10.882 143 HE2 LYS 17 HE2 LYS 17 -7.482 -1.870 -12.839 144 HE3 LYS 17 HE1 LYS 17 -6.573 -0.473 -12.265 145 HZ1 LYS 17 HZ1 LYS 17 -5.662 -3.078 -12.667 146 HZ2 LYS 17 HZ2 LYS 17 -5.596 -2.778 -10.996 147 HZ3 LYS 17 HZ3 LYS 17 -4.790 -1.747 -12.079 148 H GLU 18 HN GLU 18 -4.373 -2.305 -7.139 149 HA GLU 18 HA GLU 18 -6.605 -2.534 -5.379 150 HB2 GLU 18 HB2 GLU 18 -5.290 -4.471 -6.158 151 HB3 GLU 18 HB1 GLU 18 -3.901 -3.889 -5.239 152 HG2 GLU 18 HG2 GLU 18 -5.110 -4.143 -3.153 153 HG3 GLU 18 HG1 GLU 18 -6.594 -4.542 -4.015 154 H LEU 19 HN LEU 19 -3.408 -1.125 -5.061 155 HA LEU 19 HA LEU 19 -3.513 -0.809 -2.194 156 HB2 LEU 19 HB2 LEU 19 -1.398 -0.787 -3.365 157 HB3 LEU 19 HB1 LEU 19 -1.915 0.577 -4.334 158 HG LEU 19 HG LEU 19 -2.101 1.813 -2.042 159 HD11 LEU 19 HD11 LEU 19 -1.718 -0.334 -0.717 160 HD12 LEU 19 HD12 LEU 19 -0.738 1.050 -0.250 161 HD13 LEU 19 HD13 LEU 19 -0.039 -0.229 -1.238 162 HD21 LEU 19 HD21 LEU 19 -0.454 2.398 -3.749 163 HD22 LEU 19 HD22 LEU 19 0.585 1.081 -3.205 164 HD23 LEU 19 HD23 LEU 19 0.282 2.459 -2.147 165 H ARG 20 HN ARG 20 -4.520 1.178 -4.946 166 HA ARG 20 HA ARG 20 -5.088 3.578 -3.507 167 HB2 ARG 20 HB2 ARG 20 -5.051 3.455 -5.970 168 HB3 ARG 20 HB1 ARG 20 -6.474 2.420 -5.946 169 HG2 ARG 20 HG2 ARG 20 -6.799 5.014 -4.472 170 HG3 ARG 20 HG1 ARG 20 -6.572 5.182 -6.207 171 HD2 ARG 20 HD2 ARG 20 -8.458 3.661 -6.626 172 HD3 ARG 20 HD1 ARG 20 -8.685 3.442 -4.893 173 HE ARG 20 HE ARG 20 -8.826 6.188 -5.227 174 HH11 ARG 20 HH21 ARG 20 -10.369 3.428 -6.618 175 HH12 ARG 20 HH22 ARG 20 -11.862 4.253 -6.919 176 HH21 ARG 20 HH11 ARG 20 -10.766 7.273 -5.615 177 HH22 ARG 20 HH12 ARG 20 -12.086 6.429 -6.352 178 H ASP 21 HN ASP 21 -6.920 0.660 -4.057 179 HA ASP 21 HA ASP 21 -9.326 1.579 -2.787 180 HB2 ASP 21 HB2 ASP 21 -8.375 -1.199 -3.525 181 HB3 ASP 21 HB1 ASP 21 -9.978 -0.843 -2.881 182 H PHE 22 HN PHE 22 -6.783 -0.742 -1.818 183 HA PHE 22 HA PHE 22 -7.763 -1.152 0.792 184 HB2 PHE 22 HB2 PHE 22 -5.096 -1.456 -0.538 185 HB3 PHE 22 HB1 PHE 22 -5.141 -1.566 1.210 186 HD1 PHE 22 HD2 PHE 22 -7.671 -2.723 -1.312 187 HD2 PHE 22 HD1 PHE 22 -4.806 -3.874 1.686 188 HE1 PHE 22 HE2 PHE 22 -8.421 -5.067 -1.486 189 HE2 PHE 22 HE1 PHE 22 -5.564 -6.211 1.500 190 HZ PHE 22 HZ PHE 22 -7.372 -6.819 -0.082 191 H ILE 23 HN ILE 23 -6.046 1.467 -0.633 192 HA ILE 23 HA ILE 23 -5.089 2.684 1.798 193 HB ILE 23 HB ILE 23 -5.464 3.476 -1.062 194 HG12 ILE 23 HG12 ILE 23 -3.191 3.954 0.905 195 HG13 ILE 23 HG11 ILE 23 -3.334 2.524 -0.109 196 HG21 ILE 23 HG21 ILE 23 -4.810 5.883 -0.458 197 HG22 ILE 23 HG22 ILE 23 -5.331 5.488 1.176 198 HG23 ILE 23 HG23 ILE 23 -6.481 5.419 -0.161 199 HD11 ILE 23 HD11 ILE 23 -1.803 4.197 -1.097 200 HD12 ILE 23 HD12 ILE 23 -3.116 5.372 -1.126 201 HD13 ILE 23 HD13 ILE 23 -3.207 3.926 -2.119 202 H GLU 24 HN GLU 24 -8.036 2.820 -0.065 203 HA GLU 24 HA GLU 24 -9.280 4.928 1.371 204 HB2 GLU 24 HB2 GLU 24 -10.549 2.559 -0.025 205 HB3 GLU 24 HB1 GLU 24 -11.476 3.881 0.664 206 HG2 GLU 24 HG2 GLU 24 -9.289 4.296 -1.397 207 HG3 GLU 24 HG1 GLU 24 -10.989 4.106 -1.814 208 H LYS 25 HN LYS 25 -8.784 1.561 2.121 209 HA LYS 25 HA LYS 25 -10.631 1.528 4.398 210 HB2 LYS 25 HB2 LYS 25 -8.525 -0.358 3.327 211 HB3 LYS 25 HB1 LYS 25 -9.184 -0.624 4.937 212 HG2 LYS 25 HG2 LYS 25 -10.415 -1.919 3.233 213 HG3 LYS 25 HG1 LYS 25 -11.458 -0.726 4.006 214 HD2 LYS 25 HD2 LYS 25 -11.298 0.761 2.118 215 HD3 LYS 25 HD1 LYS 25 -10.028 -0.218 1.382 216 HE2 LYS 25 HE2 LYS 25 -11.617 -2.090 1.129 217 HE3 LYS 25 HE1 LYS 25 -12.887 -1.112 1.866 218 HZ1 LYS 25 HZ1 LYS 25 -11.629 0.297 -0.248 219 HZ2 LYS 25 HZ2 LYS 25 -13.267 -0.115 -0.059 220 HZ3 LYS 25 HZ3 LYS 25 -12.194 -1.203 -0.802 221 H PHE 26 HN PHE 26 -7.047 1.766 4.052 222 HA PHE 26 HA PHE 26 -6.528 1.980 6.857 223 HB2 PHE 26 HB2 PHE 26 -4.901 3.462 4.767 224 HB3 PHE 26 HB1 PHE 26 -4.352 2.794 6.295 225 HD1 PHE 26 HD2 PHE 26 -5.773 0.013 5.988 226 HD2 PHE 26 HD1 PHE 26 -3.328 2.365 3.330 227 HE1 PHE 26 HE2 PHE 26 -5.060 -2.038 4.818 228 HE2 PHE 26 HE1 PHE 26 -2.620 0.293 2.160 229 HZ PHE 26 HZ PHE 26 -3.485 -1.905 2.913 230 H11A DNS 27 H22 DNS 27 -1.564 0.531 7.502 231 H12 DNS 27 H23 DNS 27 -2.092 1.116 5.922 232 H13 DNS 27 H24 DNS 27 -2.716 1.876 7.403 233 H21 DNS 27 H21 DNS 27 0.563 1.142 5.761 234 H22 DNS 27 H19 DNS 27 0.686 0.913 7.514 235 H23 DNS 27 H20 DNS 27 1.391 2.350 6.767 236 H4 DNS 27 H14 DNS 27 -0.926 1.921 4.243 237 H5 DNS 27 H15 DNS 27 -1.227 3.733 2.537 238 H6 DNS 27 H16 DNS 27 -1.360 6.130 3.256 239 HZ DNS 27 HZ1 DNS 27 -3.291 7.337 5.037 240 HE3 DNS 27 HE1 DNS 27 -3.733 9.578 4.139 241 HE2 DNS 27 HE2 DNS 27 -3.260 8.931 2.577 242 HD3 DNS 27 HD1 DNS 27 -5.767 8.964 3.092 243 HD2 DNS 27 HD2 DNS 27 -5.107 7.437 2.513 244 HG3 DNS 27 HG1 DNS 27 -5.084 6.493 4.716 245 HG2 DNS 27 HG2 DNS 27 -5.398 8.058 5.466 246 HB3 DNS 27 HB1 DNS 27 -7.635 8.130 4.572 247 HB2 DNS 27 HB2 DNS 27 -7.342 6.715 3.560 248 HA DNS 27 HA DNS 27 -7.143 6.602 6.585 249 H DNS 27 HN DNS 27 -6.993 4.579 4.431 250 H9 DNS 27 H9 DNS 27 -1.185 8.395 7.503 251 H10 DNS 27 H10 DNS 27 -0.892 6.581 9.194 252 H11 DNS 27 H11 DNS 27 -0.750 4.191 8.471 253 H GLY 28 HN GLY 28 -9.054 7.829 7.012 254 HA2 GLY 28 HA2 GLY 28 -11.514 6.313 6.904 255 HA3 GLY 28 HA1 GLY 28 -11.351 7.976 7.474 256 H ARG 29 HN ARG 29 -10.331 9.207 5.216 257 HA ARG 29 HA ARG 29 -12.126 8.617 2.931 258 HB2 ARG 29 HB2 ARG 29 -12.960 11.004 2.937 259 HB3 ARG 29 HB1 ARG 29 -13.570 10.026 4.270 260 HG2 ARG 29 HG2 ARG 29 -11.868 10.963 5.771 261 HG3 ARG 29 HG1 ARG 29 -11.198 11.911 4.445 262 HD2 ARG 29 HD2 ARG 29 -13.404 13.048 4.193 263 HD3 ARG 29 HD1 ARG 29 -13.986 12.166 5.604 264 HE ARG 29 HE ARG 29 -11.665 13.402 6.498 265 HH11 ARG 29 HH21 ARG 29 -14.589 14.389 4.946 266 HH12 ARG 29 HH22 ARG 29 -14.593 15.963 5.669 267 HH21 ARG 29 HH11 ARG 29 -11.661 15.450 7.445 268 HH22 ARG 29 HH12 ARG 29 -12.938 16.563 7.083 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 8.557 3.781 -10.111 2 H2 GLY 1 HT2 GLY 1 7.643 2.741 -11.094 3 H3 GLY 1 HT3 GLY 1 8.954 3.598 -11.752 4 HA2 GLY 1 HA2 GLY 1 9.207 1.042 -11.206 5 HA3 GLY 1 HA1 GLY 1 10.463 2.201 -10.678 6 H GLN 2 HN GLN 2 9.302 3.559 -8.613 7 HA GLN 2 HA GLN 2 11.160 2.309 -6.808 8 HB2 GLN 2 HB2 GLN 2 8.905 4.282 -6.320 9 HB3 GLN 2 HB1 GLN 2 10.065 3.794 -5.084 10 HG2 GLN 2 HG2 GLN 2 10.851 5.863 -6.060 11 HG3 GLN 2 HG1 GLN 2 11.913 4.569 -6.612 12 HE21 GLN 2 HE21 GLN 2 12.110 4.289 -8.861 13 HE22 GLN 2 HE22 GLN 2 11.140 5.075 -10.010 14 H GLN 3 HN GLN 3 10.815 0.304 -5.975 15 HA GLN 3 HA GLN 3 8.189 -0.887 -5.768 16 HB2 GLN 3 HB2 GLN 3 9.376 -2.693 -4.520 17 HB3 GLN 3 HB1 GLN 3 10.162 -2.299 -6.049 18 HG2 GLN 3 HG2 GLN 3 11.733 -0.798 -4.803 19 HG3 GLN 3 HG1 GLN 3 11.000 -1.343 -3.294 20 HE21 GLN 3 HE21 GLN 3 13.162 -2.268 -5.910 21 HE22 GLN 3 HE22 GLN 3 13.638 -3.753 -5.240 22 H TYR 4 HN TYR 4 6.955 -1.243 -3.873 23 HA TYR 4 HA TYR 4 7.015 0.833 -1.947 24 HB2 TYR 4 HB2 TYR 4 5.571 -1.669 -1.191 25 HB3 TYR 4 HB1 TYR 4 4.975 -0.014 -1.220 26 HD1 TYR 4 HD1 TYR 4 5.625 -3.051 -3.240 27 HD2 TYR 4 HD2 TYR 4 3.949 0.913 -3.243 28 HE1 TYR 4 HE1 TYR 4 4.531 -3.511 -5.413 29 HE2 TYR 4 HE2 TYR 4 2.857 0.444 -5.417 30 HH TYR 4 HH TYR 4 3.245 -2.717 -7.028 31 H THR 5 HN THR 5 8.389 1.013 -0.204 32 HA THR 5 HA THR 5 9.532 -1.510 1.009 33 HB THR 5 HB THR 5 11.531 -0.280 1.506 34 HG1 THR 5 HG1 THR 5 10.339 2.002 0.352 35 HG21 THR 5 HG21 THR 5 11.144 -1.060 -0.909 36 HG22 THR 5 HG22 THR 5 12.376 0.182 -0.680 37 HG23 THR 5 HG23 THR 5 10.778 0.627 -1.270 38 H ALA 6 HN ALA 6 7.981 1.563 1.584 39 HA ALA 6 HA ALA 6 8.005 1.087 4.563 40 HB1 ALA 6 HB1 ALA 6 7.585 3.699 3.058 41 HB2 ALA 6 HB2 ALA 6 9.133 3.191 3.747 42 HB3 ALA 6 HB3 ALA 6 7.754 3.492 4.805 43 H1 NAL 7 H1 NAL 7 2.961 4.641 1.000 44 H3 NAL 7 H3 NAL 7 6.045 2.079 -0.530 45 H4 NAL 7 H4 NAL 7 7.059 3.973 -1.764 46 H5 NAL 7 H5 NAL 7 7.034 6.476 -2.403 47 H6 NAL 7 H6 NAL 7 5.972 8.708 -2.233 48 H7 NAL 7 H7 NAL 7 3.927 9.026 -0.862 49 H8 NAL 7 H8 NAL 7 2.920 7.111 0.352 50 H91 NAL 7 H91 NAL 7 2.738 2.214 0.827 51 H92 NAL 7 H92 NAL 7 4.205 1.246 0.688 52 H10 NAL 7 H10 NAL 7 3.736 3.364 2.818 53 HN1 NAL 7 HN1 NAL 7 6.153 2.784 2.105 54 H ILE 8 HN ILE 8 4.420 -0.111 2.488 55 HA ILE 8 HA ILE 8 2.467 -0.661 4.649 56 HB ILE 8 HB ILE 8 1.554 -2.497 2.898 57 HG12 ILE 8 HG12 ILE 8 1.332 -1.536 0.639 58 HG13 ILE 8 HG11 ILE 8 2.295 -0.145 1.102 59 HG21 ILE 8 HG21 ILE 8 -0.300 -1.006 2.353 60 HG22 ILE 8 HG22 ILE 8 0.669 0.406 2.784 61 HG23 ILE 8 HG23 ILE 8 0.180 -0.750 4.033 62 HD11 ILE 8 HD11 ILE 8 3.351 -2.974 1.226 63 HD12 ILE 8 HD12 ILE 8 4.273 -1.463 1.253 64 HD13 ILE 8 HD13 ILE 8 3.459 -1.982 -0.219 65 H LYS 9 HN LYS 9 3.561 -1.909 5.992 66 HA LYS 9 HA LYS 9 5.704 -3.685 5.035 67 HB2 LYS 9 HB2 LYS 9 4.917 -2.730 7.798 68 HB3 LYS 9 HB1 LYS 9 6.159 -3.951 7.524 69 HG2 LYS 9 HG2 LYS 9 7.538 -2.417 6.296 70 HG3 LYS 9 HG1 LYS 9 6.248 -1.221 6.203 71 HD2 LYS 9 HD2 LYS 9 7.858 -0.561 7.921 72 HD3 LYS 9 HD1 LYS 9 6.320 -0.971 8.675 73 HE2 LYS 9 HE2 LYS 9 7.148 -3.047 9.491 74 HE3 LYS 9 HE1 LYS 9 8.530 -3.028 8.394 75 HZ1 LYS 9 HZ1 LYS 9 8.075 -1.397 10.812 76 HZ2 LYS 9 HZ2 LYS 9 9.182 -0.912 9.618 77 HZ3 LYS 9 HZ3 LYS 9 9.399 -2.388 10.433 78 H GLY 10 HN GLY 10 5.314 -5.809 4.739 79 HA2 GLY 10 HA2 GLY 10 4.600 -7.987 5.435 80 HA3 GLY 10 HA1 GLY 10 3.432 -7.253 6.527 81 H ARG 11 HN ARG 11 2.611 -5.457 4.112 82 HA ARG 11 HA ARG 11 1.090 -7.520 2.528 83 HB2 ARG 11 HB2 ARG 11 -0.060 -4.973 3.716 84 HB3 ARG 11 HB1 ARG 11 -0.925 -6.122 2.694 85 HG2 ARG 11 HG2 ARG 11 -0.662 -7.875 4.369 86 HG3 ARG 11 HG1 ARG 11 0.316 -6.805 5.375 87 HD2 ARG 11 HD2 ARG 11 -2.555 -6.250 4.579 88 HD3 ARG 11 HD1 ARG 11 -2.064 -6.936 6.128 89 HE ARG 11 HE ARG 11 -0.564 -4.608 5.922 90 HH11 ARG 11 HH21 ARG 11 -3.907 -5.455 5.724 91 HH12 ARG 11 HH22 ARG 11 -4.463 -3.933 6.335 92 HH21 ARG 11 HH11 ARG 11 -1.277 -2.622 6.721 93 HH22 ARG 11 HH12 ARG 11 -2.975 -2.331 6.900 94 H THR 12 HN THR 12 2.289 -7.156 0.630 95 HA THR 12 HA THR 12 2.422 -4.398 -0.425 96 HB THR 12 HB THR 12 3.897 -5.976 -2.182 97 HG1 THR 12 HG1 THR 12 3.444 -7.530 -0.235 98 HG21 THR 12 HG21 THR 12 4.616 -3.834 -1.205 99 HG22 THR 12 HG22 THR 12 5.883 -5.051 -1.053 100 HG23 THR 12 HG23 THR 12 4.896 -4.622 0.345 101 H PHE 13 HN PHE 13 1.953 -4.112 -2.722 102 HA PHE 13 HA PHE 13 -0.217 -5.954 -3.704 103 HB2 PHE 13 HB2 PHE 13 -0.007 -2.940 -3.967 104 HB3 PHE 13 HB1 PHE 13 -1.323 -3.946 -4.580 105 HD1 PHE 13 HD2 PHE 13 0.434 -2.826 -1.478 106 HD2 PHE 13 HD1 PHE 13 -3.069 -4.699 -3.120 107 HE1 PHE 13 HE2 PHE 13 -0.653 -2.804 0.759 108 HE2 PHE 13 HE1 PHE 13 -4.146 -4.645 -0.895 109 HZ PHE 13 HZ PHE 13 -2.930 -3.683 1.035 110 H ARG 14 HN ARG 14 0.052 -6.685 -5.756 111 HA ARG 14 HA ARG 14 2.481 -6.157 -7.213 112 HB2 ARG 14 HB2 ARG 14 -0.150 -7.454 -8.020 113 HB3 ARG 14 HB1 ARG 14 1.207 -7.301 -9.134 114 HG2 ARG 14 HG2 ARG 14 1.214 -9.508 -8.037 115 HG3 ARG 14 HG1 ARG 14 2.643 -8.577 -7.594 116 HD2 ARG 14 HD2 ARG 14 1.826 -8.145 -5.410 117 HD3 ARG 14 HD1 ARG 14 0.161 -8.529 -5.857 118 HE ARG 14 HE ARG 14 1.537 -10.905 -6.273 119 HH11 ARG 14 HH21 ARG 14 1.131 -8.662 -3.677 120 HH12 ARG 14 HH22 ARG 14 1.294 -9.864 -2.440 121 HH21 ARG 14 HH11 ARG 14 1.747 -12.480 -4.669 122 HH22 ARG 14 HH12 ARG 14 1.642 -12.023 -3.002 123 H ASN 15 HN ASN 15 -0.848 -5.005 -7.451 124 HA ASN 15 HA ASN 15 -0.016 -2.891 -9.418 125 HB2 ASN 15 HB2 ASN 15 -2.721 -2.634 -9.322 126 HB3 ASN 15 HB1 ASN 15 -1.918 -3.734 -10.446 127 HD21 ASN 15 HD21 ASN 15 -3.785 -5.178 -10.415 128 HD22 ASN 15 HD22 ASN 15 -4.094 -6.182 -9.083 129 H GLU 16 HN GLU 16 0.181 -0.874 -8.645 130 HA GLU 16 HA GLU 16 -0.218 -0.297 -5.878 131 HB2 GLU 16 HB2 GLU 16 1.326 0.943 -7.482 132 HB3 GLU 16 HB1 GLU 16 -0.107 1.724 -8.148 133 HG2 GLU 16 HG2 GLU 16 -0.647 2.522 -5.803 134 HG3 GLU 16 HG1 GLU 16 0.929 1.908 -5.308 135 H LYS 17 HN LYS 17 -2.358 -0.195 -8.633 136 HA LYS 17 HA LYS 17 -4.285 1.606 -7.675 137 HB2 LYS 17 HB2 LYS 17 -4.136 -0.479 -9.738 138 HB3 LYS 17 HB1 LYS 17 -5.729 -0.487 -8.992 139 HG2 LYS 17 HG2 LYS 17 -5.859 1.021 -10.846 140 HG3 LYS 17 HG1 LYS 17 -5.822 2.022 -9.394 141 HD2 LYS 17 HD2 LYS 17 -3.260 2.152 -9.754 142 HD3 LYS 17 HD1 LYS 17 -3.567 1.483 -11.356 143 HE2 LYS 17 HE2 LYS 17 -5.198 3.376 -11.736 144 HE3 LYS 17 HE1 LYS 17 -4.635 4.075 -10.219 145 HZ1 LYS 17 HZ1 LYS 17 -2.768 3.341 -12.390 146 HZ2 LYS 17 HZ2 LYS 17 -2.495 4.371 -11.067 147 HZ3 LYS 17 HZ3 LYS 17 -3.517 4.862 -12.332 148 H GLU 18 HN GLU 18 -4.004 -1.905 -7.133 149 HA GLU 18 HA GLU 18 -6.268 -2.146 -5.469 150 HB2 GLU 18 HB2 GLU 18 -3.692 -3.724 -5.497 151 HB3 GLU 18 HB1 GLU 18 -5.133 -4.197 -4.592 152 HG2 GLU 18 HG2 GLU 18 -5.123 -3.711 -7.587 153 HG3 GLU 18 HG1 GLU 18 -4.901 -5.300 -6.857 154 H LEU 19 HN LEU 19 -3.008 -1.029 -4.836 155 HA LEU 19 HA LEU 19 -3.324 -1.035 -1.942 156 HB2 LEU 19 HB2 LEU 19 -1.077 -1.107 -2.714 157 HB3 LEU 19 HB1 LEU 19 -1.327 0.212 -3.830 158 HG LEU 19 HG LEU 19 -1.545 1.759 -1.871 159 HD11 LEU 19 HD11 LEU 19 -0.849 0.999 0.341 160 HD12 LEU 19 HD12 LEU 19 -0.656 -0.632 -0.275 161 HD13 LEU 19 HD13 LEU 19 -2.256 0.079 -0.178 162 HD21 LEU 19 HD21 LEU 19 0.860 1.689 -1.251 163 HD22 LEU 19 HD22 LEU 19 0.598 1.532 -2.985 164 HD23 LEU 19 HD23 LEU 19 0.975 0.107 -2.022 165 H ARG 20 HN ARG 20 -3.858 1.257 -4.575 166 HA ARG 20 HA ARG 20 -4.331 3.589 -2.989 167 HB2 ARG 20 HB2 ARG 20 -4.059 3.579 -5.485 168 HB3 ARG 20 HB1 ARG 20 -5.651 2.834 -5.613 169 HG2 ARG 20 HG2 ARG 20 -6.670 4.779 -4.501 170 HG3 ARG 20 HG1 ARG 20 -5.079 5.522 -4.319 171 HD2 ARG 20 HD2 ARG 20 -4.816 5.528 -6.783 172 HD3 ARG 20 HD1 ARG 20 -6.429 4.832 -6.945 173 HE ARG 20 HE ARG 20 -6.836 7.119 -5.422 174 HH11 ARG 20 HH21 ARG 20 -5.359 6.358 -8.450 175 HH12 ARG 20 HH22 ARG 20 -5.723 7.894 -9.162 176 HH21 ARG 20 HH11 ARG 20 -7.317 9.125 -6.340 177 HH22 ARG 20 HH12 ARG 20 -6.831 9.458 -7.969 178 H ASP 21 HN ASP 21 -6.325 0.919 -3.993 179 HA ASP 21 HA ASP 21 -8.778 1.940 -2.911 180 HB2 ASP 21 HB2 ASP 21 -7.960 -0.852 -3.744 181 HB3 ASP 21 HB1 ASP 21 -9.595 -0.410 -3.254 182 H PHE 22 HN PHE 22 -6.526 -0.621 -1.841 183 HA PHE 22 HA PHE 22 -7.841 -1.087 0.619 184 HB2 PHE 22 HB2 PHE 22 -5.109 -1.644 -0.472 185 HB3 PHE 22 HB1 PHE 22 -5.317 -1.802 1.263 186 HD1 PHE 22 HD2 PHE 22 -7.681 -2.570 -1.548 187 HD2 PHE 22 HD1 PHE 22 -5.340 -4.137 1.703 188 HE1 PHE 22 HE2 PHE 22 -8.685 -4.800 -1.892 189 HE2 PHE 22 HE1 PHE 22 -6.350 -6.359 1.351 190 HZ PHE 22 HZ PHE 22 -8.024 -6.701 -0.445 191 H ILE 23 HN ILE 23 -5.721 1.414 -0.449 192 HA ILE 23 HA ILE 23 -4.876 2.365 2.130 193 HB ILE 23 HB ILE 23 -4.940 3.390 -0.675 194 HG12 ILE 23 HG12 ILE 23 -2.853 3.561 1.536 195 HG13 ILE 23 HG11 ILE 23 -2.959 2.266 0.354 196 HG21 ILE 23 HG21 ILE 23 -4.886 5.261 1.693 197 HG22 ILE 23 HG22 ILE 23 -5.940 5.326 0.277 198 HG23 ILE 23 HG23 ILE 23 -4.235 5.711 0.117 199 HD11 ILE 23 HD11 ILE 23 -1.247 3.900 -0.296 200 HD12 ILE 23 HD12 ILE 23 -2.454 5.184 -0.275 201 HD13 ILE 23 HD13 ILE 23 -2.567 3.888 -1.457 202 H GLU 24 HN GLU 24 -7.627 2.928 0.069 203 HA GLU 24 HA GLU 24 -8.838 4.965 1.652 204 HB2 GLU 24 HB2 GLU 24 -10.115 2.939 -0.203 205 HB3 GLU 24 HB1 GLU 24 -11.006 4.243 0.568 206 HG2 GLU 24 HG2 GLU 24 -9.487 5.894 -0.488 207 HG3 GLU 24 HG1 GLU 24 -8.644 4.578 -1.306 208 H LYS 25 HN LYS 25 -8.647 1.506 1.988 209 HA LYS 25 HA LYS 25 -10.793 1.274 3.947 210 HB2 LYS 25 HB2 LYS 25 -9.918 -0.633 2.533 211 HB3 LYS 25 HB1 LYS 25 -8.454 -0.613 3.513 212 HG2 LYS 25 HG2 LYS 25 -9.833 -1.005 5.548 213 HG3 LYS 25 HG1 LYS 25 -11.274 -1.096 4.532 214 HD2 LYS 25 HD2 LYS 25 -10.372 -3.022 3.348 215 HD3 LYS 25 HD1 LYS 25 -8.852 -2.894 4.231 216 HE2 LYS 25 HE2 LYS 25 -10.462 -4.640 5.127 217 HE3 LYS 25 HE1 LYS 25 -9.919 -3.453 6.312 218 HZ1 LYS 25 HZ1 LYS 25 -11.953 -2.546 6.468 219 HZ2 LYS 25 HZ2 LYS 25 -12.477 -4.051 5.881 220 HZ3 LYS 25 HZ3 LYS 25 -12.299 -2.738 4.818 221 H PHE 26 HN PHE 26 -7.202 1.401 4.178 222 HA PHE 26 HA PHE 26 -7.119 1.270 7.038 223 HB2 PHE 26 HB2 PHE 26 -5.132 2.902 5.426 224 HB3 PHE 26 HB1 PHE 26 -4.849 1.981 6.897 225 HD1 PHE 26 HD1 PHE 26 -6.277 -0.629 6.054 226 HD2 PHE 26 HD2 PHE 26 -3.487 1.928 3.992 227 HE1 PHE 26 HE1 PHE 26 -5.508 -2.546 4.705 228 HE2 PHE 26 HE2 PHE 26 -2.731 -0.010 2.634 229 HZ PHE 26 HZ PHE 26 -3.738 -2.243 3.001 230 H11A DNS 27 H22 DNS 27 4.659 6.608 2.083 231 H12 DNS 27 H23 DNS 27 5.519 5.105 2.434 232 H13 DNS 27 H24 DNS 27 5.815 6.550 3.425 233 H21 DNS 27 H21 DNS 27 3.776 4.718 5.723 234 H22 DNS 27 H19 DNS 27 5.350 5.465 5.393 235 H23 DNS 27 H20 DNS 27 4.947 3.911 4.657 236 H4 DNS 27 H14 DNS 27 4.835 7.757 5.160 237 H5 DNS 27 H15 DNS 27 3.351 9.671 5.811 238 H6 DNS 27 H16 DNS 27 0.920 9.640 5.203 239 HZ DNS 27 HZ1 DNS 27 -2.525 7.889 2.905 240 HE3 DNS 27 HE1 DNS 27 -3.044 6.576 4.733 241 HE2 DNS 27 HE2 DNS 27 -3.331 8.000 5.716 242 HD3 DNS 27 HD1 DNS 27 -5.345 8.511 4.407 243 HD2 DNS 27 HD2 DNS 27 -5.059 7.087 3.404 244 HG3 DNS 27 HG1 DNS 27 -5.294 5.624 5.334 245 HG2 DNS 27 HG2 DNS 27 -5.428 7.011 6.416 246 HB3 DNS 27 HB1 DNS 27 -7.520 7.682 5.381 247 HB2 DNS 27 HB2 DNS 27 -7.366 6.421 4.158 248 HA DNS 27 HA DNS 27 -7.578 5.922 7.145 249 H DNS 27 HN DNS 27 -7.147 4.097 4.849 250 H9 DNS 27 H9 DNS 27 -1.938 6.547 2.871 251 H10 DNS 27 H10 DNS 27 -0.454 4.655 2.221 252 H11 DNS 27 H11 DNS 27 1.972 4.683 2.831 253 H GLY 28 HN GLY 28 -9.321 7.774 6.180 254 HA2 GLY 28 HA2 GLY 28 -11.666 6.801 4.896 255 HA3 GLY 28 HA1 GLY 28 -11.874 6.602 6.637 256 H ARG 29 HN ARG 29 -10.991 8.739 7.842 257 HA ARG 29 HA ARG 29 -12.792 10.850 7.070 258 HB2 ARG 29 HB2 ARG 29 -12.054 10.409 9.421 259 HB3 ARG 29 HB1 ARG 29 -10.440 10.980 8.987 260 HG2 ARG 29 HG2 ARG 29 -11.310 13.172 8.433 261 HG3 ARG 29 HG1 ARG 29 -12.961 12.626 8.694 262 HD2 ARG 29 HD2 ARG 29 -10.794 12.650 10.801 263 HD3 ARG 29 HD1 ARG 29 -12.030 13.892 10.651 264 HE ARG 29 HE ARG 29 -12.273 11.302 11.931 265 HH11 ARG 29 HH21 ARG 29 -14.040 13.511 9.947 266 HH12 ARG 29 HH22 ARG 29 -15.576 12.804 10.324 267 HH21 ARG 29 HH11 ARG 29 -14.255 10.392 12.426 268 HH22 ARG 29 HH12 ARG 29 -15.697 11.044 11.722 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 7.976 5.276 -8.588 2 H2 GLY 1 HT2 GLY 1 7.737 5.233 -10.269 3 H3 GLY 1 HT3 GLY 1 9.058 6.080 -9.618 4 HA2 GLY 1 HA2 GLY 1 8.811 3.288 -10.402 5 HA3 GLY 1 HA1 GLY 1 10.234 4.193 -9.805 6 H GLN 2 HN GLN 2 9.455 5.024 -7.304 7 HA GLN 2 HA GLN 2 11.427 3.266 -6.166 8 HB2 GLN 2 HB2 GLN 2 9.415 5.131 -4.867 9 HB3 GLN 2 HB1 GLN 2 10.685 4.289 -3.981 10 HG2 GLN 2 HG2 GLN 2 11.493 6.508 -4.502 11 HG3 GLN 2 HG1 GLN 2 12.372 5.363 -5.514 12 HE21 GLN 2 HE21 GLN 2 9.262 7.207 -5.707 13 HE22 GLN 2 HE22 GLN 2 9.471 7.663 -7.328 14 H GLN 3 HN GLN 3 11.142 1.220 -5.449 15 HA GLN 3 HA GLN 3 8.543 -0.045 -5.456 16 HB2 GLN 3 HB2 GLN 3 11.193 -0.969 -4.301 17 HB3 GLN 3 HB1 GLN 3 9.765 -1.987 -4.491 18 HG2 GLN 3 HG2 GLN 3 9.795 -1.538 -6.935 19 HG3 GLN 3 HG1 GLN 3 11.265 -0.587 -6.724 20 HE21 GLN 3 HE21 GLN 3 13.261 -1.725 -6.378 21 HE22 GLN 3 HE22 GLN 3 13.377 -3.416 -6.464 22 H TYR 4 HN TYR 4 7.297 -0.707 -3.647 23 HA TYR 4 HA TYR 4 7.304 1.058 -1.432 24 HB2 TYR 4 HB2 TYR 4 5.782 -1.186 -0.617 25 HB3 TYR 4 HB1 TYR 4 5.153 0.256 -1.402 26 HD1 TYR 4 HD1 TYR 4 7.160 -2.750 -2.477 27 HD2 TYR 4 HD2 TYR 4 3.725 -0.255 -3.239 28 HE1 TYR 4 HE1 TYR 4 6.602 -4.112 -4.466 29 HE2 TYR 4 HE2 TYR 4 3.184 -1.630 -5.225 30 HH TYR 4 HH TYR 4 4.261 -3.126 -6.778 31 H THR 5 HN THR 5 8.668 1.034 0.305 32 HA THR 5 HA THR 5 9.854 -1.597 1.203 33 HB THR 5 HB THR 5 11.805 -0.303 1.952 34 HG1 THR 5 HG1 THR 5 11.070 1.939 0.542 35 HG21 THR 5 HG21 THR 5 11.130 0.365 -0.915 36 HG22 THR 5 HG22 THR 5 11.670 -1.225 -0.386 37 HG23 THR 5 HG23 THR 5 12.738 0.169 -0.226 38 H ALA 6 HN ALA 6 8.271 1.384 2.154 39 HA ALA 6 HA ALA 6 8.239 0.481 5.037 40 HB1 ALA 6 HB1 ALA 6 9.508 2.614 4.592 41 HB2 ALA 6 HB2 ALA 6 8.112 2.833 5.647 42 HB3 ALA 6 HB3 ALA 6 8.018 3.315 3.949 43 H1 NAL 7 H1 NAL 7 3.630 4.836 1.820 44 H3 NAL 7 H3 NAL 7 6.573 2.161 0.208 45 H4 NAL 7 H4 NAL 7 7.860 4.066 -0.715 46 H5 NAL 7 H5 NAL 7 8.136 6.613 -1.028 47 H6 NAL 7 H6 NAL 7 7.295 8.912 -0.646 48 H7 NAL 7 H7 NAL 7 5.188 9.286 0.614 49 H8 NAL 7 H8 NAL 7 3.900 7.360 1.498 50 H91 NAL 7 H91 NAL 7 3.198 2.489 1.386 51 H92 NAL 7 H92 NAL 7 4.566 1.388 1.194 52 H10 NAL 7 H10 NAL 7 4.177 3.298 3.529 53 HN1 NAL 7 HN1 NAL 7 6.570 2.664 2.861 54 H ILE 8 HN ILE 8 4.587 -0.151 2.779 55 HA ILE 8 HA ILE 8 2.537 -0.802 4.830 56 HB ILE 8 HB ILE 8 1.541 -2.340 2.840 57 HG12 ILE 8 HG12 ILE 8 1.439 -1.068 0.723 58 HG13 ILE 8 HG11 ILE 8 2.508 0.163 1.382 59 HG21 ILE 8 HG21 ILE 8 0.261 -0.659 4.164 60 HG22 ILE 8 HG22 ILE 8 -0.178 -0.639 2.455 61 HG23 ILE 8 HG23 ILE 8 0.883 0.617 3.104 62 HD11 ILE 8 HD11 ILE 8 3.540 -1.605 -0.149 63 HD12 ILE 8 HD12 ILE 8 3.328 -2.731 1.176 64 HD13 ILE 8 HD13 ILE 8 4.365 -1.321 1.382 65 H LYS 9 HN LYS 9 3.705 -2.133 6.062 66 HA LYS 9 HA LYS 9 5.685 -3.944 4.916 67 HB2 LYS 9 HB2 LYS 9 6.112 -2.619 7.007 68 HB3 LYS 9 HB1 LYS 9 4.891 -3.606 7.813 69 HG2 LYS 9 HG2 LYS 9 6.181 -5.631 7.389 70 HG3 LYS 9 HG1 LYS 9 7.352 -4.724 6.440 71 HD2 LYS 9 HD2 LYS 9 8.350 -4.989 8.597 72 HD3 LYS 9 HD1 LYS 9 7.794 -3.320 8.530 73 HE2 LYS 9 HE2 LYS 9 5.914 -3.788 9.932 74 HE3 LYS 9 HE1 LYS 9 6.101 -5.530 9.738 75 HZ1 LYS 9 HZ1 LYS 9 8.295 -5.296 10.842 76 HZ2 LYS 9 HZ2 LYS 9 6.972 -4.929 11.842 77 HZ3 LYS 9 HZ3 LYS 9 7.912 -3.678 11.178 78 H GLY 10 HN GLY 10 5.641 -6.209 5.147 79 HA2 GLY 10 HA2 GLY 10 4.711 -8.343 5.391 80 HA3 GLY 10 HA1 GLY 10 3.535 -7.635 6.492 81 H ARG 11 HN ARG 11 2.812 -5.690 4.187 82 HA ARG 11 HA ARG 11 1.279 -7.603 2.442 83 HB2 ARG 11 HB2 ARG 11 0.159 -5.115 3.773 84 HB3 ARG 11 HB1 ARG 11 -0.709 -6.184 2.671 85 HG2 ARG 11 HG2 ARG 11 -0.321 -8.068 4.269 86 HG3 ARG 11 HG1 ARG 11 0.405 -6.924 5.393 87 HD2 ARG 11 HD2 ARG 11 -1.926 -5.620 4.966 88 HD3 ARG 11 HD1 ARG 11 -2.486 -7.261 4.649 89 HE ARG 11 HE ARG 11 -2.039 -6.135 7.213 90 HH11 ARG 11 HH21 ARG 11 -1.222 -8.984 5.440 91 HH12 ARG 11 HH22 ARG 11 -0.811 -9.893 6.851 92 HH21 ARG 11 HH11 ARG 11 -1.531 -7.319 9.049 93 HH22 ARG 11 HH12 ARG 11 -0.995 -8.957 8.890 94 H THR 12 HN THR 12 2.498 -7.150 0.585 95 HA THR 12 HA THR 12 2.669 -4.337 -0.298 96 HB THR 12 HB THR 12 4.235 -5.776 -2.083 97 HG1 THR 12 HG1 THR 12 5.486 -6.917 -0.220 98 HG21 THR 12 HG21 THR 12 6.162 -4.874 -0.847 99 HG22 THR 12 HG22 THR 12 5.135 -4.567 0.553 100 HG23 THR 12 HG23 THR 12 4.874 -3.669 -0.941 101 H PHE 13 HN PHE 13 2.164 -3.840 -2.468 102 HA PHE 13 HA PHE 13 -0.040 -5.554 -3.558 103 HB2 PHE 13 HB2 PHE 13 0.560 -2.600 -3.832 104 HB3 PHE 13 HB1 PHE 13 -0.803 -3.426 -4.587 105 HD1 PHE 13 HD1 PHE 13 0.785 -2.698 -1.267 106 HD2 PHE 13 HD2 PHE 13 -2.802 -3.780 -3.354 107 HE1 PHE 13 HE1 PHE 13 -0.510 -2.463 0.826 108 HE2 PHE 13 HE2 PHE 13 -4.093 -3.545 -1.265 109 HZ PHE 13 HZ PHE 13 -2.947 -2.873 0.821 110 H ARG 14 HN ARG 14 0.169 -6.370 -5.590 111 HA ARG 14 HA ARG 14 2.663 -5.924 -7.087 112 HB2 ARG 14 HB2 ARG 14 1.507 -8.151 -7.111 113 HB3 ARG 14 HB1 ARG 14 0.138 -7.407 -7.937 114 HG2 ARG 14 HG2 ARG 14 1.546 -6.821 -9.839 115 HG3 ARG 14 HG1 ARG 14 2.979 -7.423 -9.005 116 HD2 ARG 14 HD2 ARG 14 1.917 -9.686 -8.915 117 HD3 ARG 14 HD1 ARG 14 0.582 -9.058 -9.881 118 HE ARG 14 HE ARG 14 2.837 -8.425 -11.370 119 HH11 ARG 14 HH21 ARG 14 1.512 -11.275 -9.938 120 HH12 ARG 14 HH22 ARG 14 2.158 -12.338 -11.142 121 HH21 ARG 14 HH11 ARG 14 3.685 -9.803 -12.946 122 HH22 ARG 14 HH12 ARG 14 3.387 -11.506 -12.844 123 H ASN 15 HN ASN 15 -0.773 -5.143 -7.378 124 HA ASN 15 HA ASN 15 -0.181 -3.150 -9.544 125 HB2 ASN 15 HB2 ASN 15 -2.788 -3.126 -9.638 126 HB3 ASN 15 HB1 ASN 15 -1.939 -4.496 -10.362 127 HD21 ASN 15 HD21 ASN 15 -4.247 -5.436 -9.873 128 HD22 ASN 15 HD22 ASN 15 -4.431 -6.202 -8.369 129 H GLU 16 HN GLU 16 -0.204 -1.052 -8.959 130 HA GLU 16 HA GLU 16 -0.731 -0.283 -6.259 131 HB2 GLU 16 HB2 GLU 16 -0.573 1.385 -8.791 132 HB3 GLU 16 HB1 GLU 16 -0.664 2.068 -7.167 133 HG2 GLU 16 HG2 GLU 16 1.666 2.006 -7.797 134 HG3 GLU 16 HG1 GLU 16 1.411 0.755 -6.582 135 H LYS 17 HN LYS 17 -2.737 -0.795 -8.992 136 HA LYS 17 HA LYS 17 -4.927 0.864 -8.482 137 HB2 LYS 17 HB2 LYS 17 -4.589 -0.724 -10.450 138 HB3 LYS 17 HB1 LYS 17 -5.140 -2.020 -9.397 139 HG2 LYS 17 HG2 LYS 17 -7.250 -0.762 -8.988 140 HG3 LYS 17 HG1 LYS 17 -6.718 0.475 -10.121 141 HD2 LYS 17 HD2 LYS 17 -6.888 -2.435 -10.977 142 HD3 LYS 17 HD1 LYS 17 -8.318 -1.411 -10.997 143 HE2 LYS 17 HE2 LYS 17 -7.059 0.217 -12.453 144 HE3 LYS 17 HE1 LYS 17 -5.743 -0.954 -12.540 145 HZ1 LYS 17 HZ1 LYS 17 -6.833 -2.068 -14.085 146 HZ2 LYS 17 HZ2 LYS 17 -8.035 -0.867 -14.092 147 HZ3 LYS 17 HZ3 LYS 17 -8.195 -2.229 -13.089 148 H GLU 18 HN GLU 18 -4.266 -2.401 -7.199 149 HA GLU 18 HA GLU 18 -6.589 -2.441 -5.523 150 HB2 GLU 18 HB2 GLU 18 -4.029 -4.049 -5.557 151 HB3 GLU 18 HB1 GLU 18 -5.294 -4.340 -4.361 152 HG2 GLU 18 HG2 GLU 18 -6.905 -4.849 -6.096 153 HG3 GLU 18 HG1 GLU 18 -5.769 -4.369 -7.356 154 H LEU 19 HN LEU 19 -3.329 -1.206 -5.115 155 HA LEU 19 HA LEU 19 -3.487 -0.891 -2.246 156 HB2 LEU 19 HB2 LEU 19 -1.325 -0.878 -3.335 157 HB3 LEU 19 HB1 LEU 19 -1.808 0.455 -4.359 158 HG LEU 19 HG LEU 19 -2.038 1.780 -2.145 159 HD11 LEU 19 HD11 LEU 19 -1.803 -0.285 -0.692 160 HD12 LEU 19 HD12 LEU 19 -0.787 1.079 -0.256 161 HD13 LEU 19 HD13 LEU 19 -0.099 -0.281 -1.136 162 HD21 LEU 19 HD21 LEU 19 -0.296 2.250 -3.779 163 HD22 LEU 19 HD22 LEU 19 0.666 0.912 -3.152 164 HD23 LEU 19 HD23 LEU 19 0.376 2.334 -2.150 165 H ARG 20 HN ARG 20 -4.385 1.094 -5.037 166 HA ARG 20 HA ARG 20 -4.960 3.523 -3.656 167 HB2 ARG 20 HB2 ARG 20 -4.888 3.274 -6.148 168 HB3 ARG 20 HB1 ARG 20 -6.406 2.384 -6.063 169 HG2 ARG 20 HG2 ARG 20 -7.535 4.329 -5.098 170 HG3 ARG 20 HG1 ARG 20 -6.014 5.223 -5.065 171 HD2 ARG 20 HD2 ARG 20 -5.867 5.032 -7.531 172 HD3 ARG 20 HD1 ARG 20 -7.416 4.188 -7.546 173 HE ARG 20 HE ARG 20 -7.955 6.557 -6.199 174 HH11 ARG 20 HH21 ARG 20 -6.560 5.664 -9.230 175 HH12 ARG 20 HH22 ARG 20 -7.095 7.095 -10.046 176 HH21 ARG 20 HH11 ARG 20 -8.659 8.425 -7.251 177 HH22 ARG 20 HH12 ARG 20 -8.283 8.657 -8.926 178 H ASP 21 HN ASP 21 -6.818 0.630 -4.217 179 HA ASP 21 HA ASP 21 -9.244 1.593 -3.022 180 HB2 ASP 21 HB2 ASP 21 -8.307 -1.208 -3.684 181 HB3 ASP 21 HB1 ASP 21 -9.923 -0.822 -3.092 182 H PHE 22 HN PHE 22 -6.748 -0.722 -1.940 183 HA PHE 22 HA PHE 22 -7.817 -1.069 0.648 184 HB2 PHE 22 HB2 PHE 22 -5.131 -1.486 -0.618 185 HB3 PHE 22 HB1 PHE 22 -5.202 -1.524 1.137 186 HD1 PHE 22 HD2 PHE 22 -7.719 -2.699 -1.387 187 HD2 PHE 22 HD1 PHE 22 -4.962 -3.818 1.720 188 HE1 PHE 22 HE2 PHE 22 -8.543 -5.024 -1.484 189 HE2 PHE 22 HE1 PHE 22 -5.792 -6.137 1.613 190 HZ PHE 22 HZ PHE 22 -7.585 -6.750 0.014 191 H ILE 23 HN ILE 23 -6.008 1.488 -0.779 192 HA ILE 23 HA ILE 23 -5.086 2.729 1.655 193 HB ILE 23 HB ILE 23 -5.391 3.484 -1.226 194 HG12 ILE 23 HG12 ILE 23 -3.145 3.951 0.776 195 HG13 ILE 23 HG11 ILE 23 -3.296 2.508 -0.220 196 HG21 ILE 23 HG21 ILE 23 -5.254 5.533 0.987 197 HG22 ILE 23 HG22 ILE 23 -6.388 5.459 -0.366 198 HG23 ILE 23 HG23 ILE 23 -4.710 5.888 -0.652 199 HD11 ILE 23 HD11 ILE 23 -3.119 3.887 -2.247 200 HD12 ILE 23 HD12 ILE 23 -1.720 4.126 -1.214 201 HD13 ILE 23 HD13 ILE 23 -2.998 5.339 -1.265 202 H GLU 24 HN GLU 24 -7.990 2.884 -0.276 203 HA GLU 24 HA GLU 24 -9.236 5.025 1.118 204 HB2 GLU 24 HB2 GLU 24 -10.497 2.678 -0.324 205 HB3 GLU 24 HB1 GLU 24 -11.426 4.009 0.347 206 HG2 GLU 24 HG2 GLU 24 -10.201 5.605 -1.061 207 HG3 GLU 24 HG1 GLU 24 -9.231 4.293 -1.727 208 H LYS 25 HN LYS 25 -8.795 1.658 1.898 209 HA LYS 25 HA LYS 25 -10.726 1.639 4.099 210 HB2 LYS 25 HB2 LYS 25 -8.437 -0.237 3.431 211 HB3 LYS 25 HB1 LYS 25 -9.613 -0.522 4.705 212 HG2 LYS 25 HG2 LYS 25 -10.543 -0.024 1.859 213 HG3 LYS 25 HG1 LYS 25 -10.005 -1.627 2.347 214 HD2 LYS 25 HD2 LYS 25 -11.686 -1.572 4.213 215 HD3 LYS 25 HD1 LYS 25 -12.284 -0.041 3.579 216 HE2 LYS 25 HE2 LYS 25 -12.823 -1.111 1.440 217 HE3 LYS 25 HE1 LYS 25 -12.184 -2.645 2.033 218 HZ1 LYS 25 HZ1 LYS 25 -14.720 -2.098 2.192 219 HZ2 LYS 25 HZ2 LYS 25 -14.248 -1.280 3.604 220 HZ3 LYS 25 HZ3 LYS 25 -13.937 -2.942 3.439 221 H PHE 26 HN PHE 26 -7.139 1.856 3.899 222 HA PHE 26 HA PHE 26 -6.724 2.074 6.720 223 HB2 PHE 26 HB2 PHE 26 -5.023 3.552 4.687 224 HB3 PHE 26 HB1 PHE 26 -4.525 2.878 6.232 225 HD1 PHE 26 HD1 PHE 26 -5.943 0.104 5.879 226 HD2 PHE 26 HD2 PHE 26 -3.412 2.447 3.296 227 HE1 PHE 26 HE1 PHE 26 -5.202 -1.949 4.735 228 HE2 PHE 26 HE2 PHE 26 -2.684 0.370 2.141 229 HZ PHE 26 HZ PHE 26 -3.575 -1.822 2.876 230 H11A DNS 27 H22 DNS 27 0.914 4.745 0.056 231 H12 DNS 27 H23 DNS 27 2.570 4.534 -0.522 232 H13 DNS 27 H24 DNS 27 1.275 4.942 -1.669 233 H21 DNS 27 H21 DNS 27 2.558 6.916 -2.421 234 H22 DNS 27 H19 DNS 27 3.846 6.441 -1.299 235 H23 DNS 27 H20 DNS 27 3.158 8.065 -1.206 236 H4 DNS 27 H14 DNS 27 0.372 6.853 -2.650 237 H5 DNS 27 H15 DNS 27 -1.737 8.204 -2.699 238 H6 DNS 27 H16 DNS 27 -2.541 9.357 -0.628 239 HZ DNS 27 HZ1 DNS 27 -3.036 8.247 0.886 240 HE3 DNS 27 HE1 DNS 27 -3.651 7.084 2.638 241 HE2 DNS 27 HE2 DNS 27 -3.479 8.555 3.571 242 HD3 DNS 27 HD1 DNS 27 -5.788 9.182 3.062 243 HD2 DNS 27 HD2 DNS 27 -5.969 7.750 2.048 244 HG3 DNS 27 HG1 DNS 27 -5.424 6.343 4.066 245 HG2 DNS 27 HG2 DNS 27 -5.460 7.814 5.040 246 HB3 DNS 27 HB1 DNS 27 -7.790 8.210 4.396 247 HB2 DNS 27 HB2 DNS 27 -7.766 6.788 3.353 248 HA DNS 27 HA DNS 27 -7.254 6.720 6.342 249 H DNS 27 HN DNS 27 -7.140 4.642 4.264 250 H9 DNS 27 H9 DNS 27 -0.914 9.691 3.902 251 H10 DNS 27 H10 DNS 27 1.188 8.345 3.934 252 H11 DNS 27 H11 DNS 27 1.985 7.199 1.860 253 H GLY 28 HN GLY 28 -9.071 6.955 7.540 254 HA2 GLY 28 HA2 GLY 28 -11.648 7.365 6.327 255 HA3 GLY 28 HA1 GLY 28 -11.570 5.763 7.062 256 H ARG 29 HN ARG 29 -10.562 5.845 9.384 257 HA ARG 29 HA ARG 29 -12.199 7.709 10.954 258 HB2 ARG 29 HB2 ARG 29 -10.184 5.600 11.792 259 HB3 ARG 29 HB1 ARG 29 -11.235 6.488 12.895 260 HG2 ARG 29 HG2 ARG 29 -13.215 5.616 11.651 261 HG3 ARG 29 HG1 ARG 29 -12.126 4.649 10.655 262 HD2 ARG 29 HD2 ARG 29 -13.006 3.269 12.468 263 HD3 ARG 29 HD1 ARG 29 -11.279 3.535 12.715 264 HE ARG 29 HE ARG 29 -12.477 5.590 14.143 265 HH11 ARG 29 HH21 ARG 29 -12.748 2.149 14.021 266 HH12 ARG 29 HH22 ARG 29 -13.177 1.994 15.692 267 HH21 ARG 29 HH11 ARG 29 -13.035 5.400 16.322 268 HH22 ARG 29 HH12 ARG 29 -13.340 3.832 16.993 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 10.921 2.795 -10.413 2 H2 GLY 1 HT2 GLY 1 12.278 3.098 -9.437 3 H3 GLY 1 HT3 GLY 1 10.765 2.809 -8.723 4 HA2 GLY 1 HA2 GLY 1 11.110 0.573 -10.356 5 HA3 GLY 1 HA1 GLY 1 12.656 0.897 -9.513 6 H GLN 2 HN GLN 2 12.277 2.056 -7.218 7 HA GLN 2 HA GLN 2 12.878 -0.395 -5.833 8 HB2 GLN 2 HB2 GLN 2 12.805 1.024 -3.782 9 HB3 GLN 2 HB1 GLN 2 13.796 1.733 -5.056 10 HG2 GLN 2 HG2 GLN 2 11.815 3.118 -5.744 11 HG3 GLN 2 HG1 GLN 2 10.948 2.493 -4.342 12 HE21 GLN 2 HE21 GLN 2 13.927 4.302 -5.226 13 HE22 GLN 2 HE22 GLN 2 14.026 5.151 -3.759 14 H GLN 3 HN GLN 3 11.552 -1.703 -4.585 15 HA GLN 3 HA GLN 3 8.694 -1.535 -5.045 16 HB2 GLN 3 HB2 GLN 3 8.570 -3.476 -3.484 17 HB3 GLN 3 HB1 GLN 3 9.721 -3.717 -4.798 18 HG2 GLN 3 HG2 GLN 3 11.564 -3.008 -3.283 19 HG3 GLN 3 HG1 GLN 3 10.400 -2.859 -1.970 20 HE21 GLN 3 HE21 GLN 3 12.577 -5.018 -3.387 21 HE22 GLN 3 HE22 GLN 3 11.942 -6.464 -2.764 22 H TYR 4 HN TYR 4 7.081 -1.088 -3.537 23 HA TYR 4 HA TYR 4 7.573 1.040 -1.743 24 HB2 TYR 4 HB2 TYR 4 5.050 -0.405 -1.221 25 HB3 TYR 4 HB1 TYR 4 5.273 1.229 -1.796 26 HD1 TYR 4 HD2 TYR 4 6.510 1.189 -4.292 27 HD2 TYR 4 HD1 TYR 4 3.750 -1.715 -2.723 28 HE1 TYR 4 HE2 TYR 4 5.911 0.507 -6.594 29 HE2 TYR 4 HE1 TYR 4 3.162 -2.385 -5.028 30 HH TYR 4 HH TYR 4 4.102 -2.318 -7.266 31 H THR 5 HN THR 5 8.455 0.927 0.301 32 HA THR 5 HA THR 5 8.190 -1.649 1.866 33 HB THR 5 HB THR 5 10.373 -1.313 2.705 34 HG1 THR 5 HG1 THR 5 11.449 0.712 2.321 35 HG21 THR 5 HG21 THR 5 10.632 -0.132 -0.059 36 HG22 THR 5 HG22 THR 5 10.223 -1.831 0.187 37 HG23 THR 5 HG23 THR 5 11.764 -1.198 0.770 38 H ALA 6 HN ALA 6 7.959 1.834 1.962 39 HA ALA 6 HA ALA 6 7.504 1.913 4.897 40 HB1 ALA 6 HB1 ALA 6 8.779 3.727 3.682 41 HB2 ALA 6 HB2 ALA 6 7.388 4.326 4.586 42 HB3 ALA 6 HB3 ALA 6 7.284 4.143 2.831 43 H1 NAL 7 H1 NAL 7 2.691 4.798 0.487 44 H3 NAL 7 H3 NAL 7 6.179 2.396 -0.203 45 H4 NAL 7 H4 NAL 7 7.342 4.323 -1.250 46 H5 NAL 7 H5 NAL 7 7.320 6.794 -1.996 47 H6 NAL 7 H6 NAL 7 6.123 8.955 -2.181 48 H7 NAL 7 H7 NAL 7 3.802 9.183 -1.332 49 H8 NAL 7 H8 NAL 7 2.652 7.250 -0.289 50 H91 NAL 7 H91 NAL 7 2.617 2.444 0.544 51 H92 NAL 7 H92 NAL 7 4.101 1.486 0.555 52 H10 NAL 7 H10 NAL 7 3.403 3.631 2.598 53 HN1 NAL 7 HN1 NAL 7 5.890 2.777 1.929 54 H ILE 8 HN ILE 8 4.276 0.181 2.436 55 HA ILE 8 HA ILE 8 2.201 -0.391 4.463 56 HB ILE 8 HB ILE 8 1.484 -2.334 2.753 57 HG12 ILE 8 HG12 ILE 8 1.384 -1.519 0.437 58 HG13 ILE 8 HG11 ILE 8 2.245 -0.049 0.878 59 HG21 ILE 8 HG21 ILE 8 -0.390 -0.957 2.014 60 HG22 ILE 8 HG22 ILE 8 0.495 0.520 2.402 61 HG23 ILE 8 HG23 ILE 8 -0.026 -0.570 3.696 62 HD11 ILE 8 HD11 ILE 8 4.271 -1.230 1.213 63 HD12 ILE 8 HD12 ILE 8 3.574 -1.928 -0.246 64 HD13 ILE 8 HD13 ILE 8 3.445 -2.795 1.271 65 H LYS 9 HN LYS 9 3.149 -1.626 5.902 66 HA LYS 9 HA LYS 9 5.516 -3.236 5.213 67 HB2 LYS 9 HB2 LYS 9 4.379 -2.297 7.854 68 HB3 LYS 9 HB1 LYS 9 5.731 -3.421 7.742 69 HG2 LYS 9 HG2 LYS 9 6.984 -1.745 6.394 70 HG3 LYS 9 HG1 LYS 9 5.654 -0.607 6.605 71 HD2 LYS 9 HD2 LYS 9 5.958 -0.621 9.018 72 HD3 LYS 9 HD1 LYS 9 7.190 -1.876 8.887 73 HE2 LYS 9 HE2 LYS 9 8.244 0.330 9.146 74 HE3 LYS 9 HE1 LYS 9 8.602 -0.339 7.554 75 HZ1 LYS 9 HZ1 LYS 9 7.764 1.516 6.712 76 HZ2 LYS 9 HZ2 LYS 9 7.206 2.040 8.229 77 HZ3 LYS 9 HZ3 LYS 9 6.236 1.032 7.266 78 H GLY 10 HN GLY 10 5.108 -5.317 4.673 79 HA2 GLY 10 HA2 GLY 10 4.546 -7.564 5.351 80 HA3 GLY 10 HA1 GLY 10 3.296 -6.931 6.413 81 H ARG 11 HN ARG 11 2.489 -5.130 3.963 82 HA ARG 11 HA ARG 11 1.099 -7.264 2.345 83 HB2 ARG 11 HB2 ARG 11 -0.177 -4.708 3.370 84 HB3 ARG 11 HB1 ARG 11 -0.965 -5.961 2.423 85 HG2 ARG 11 HG2 ARG 11 0.252 -6.467 5.160 86 HG3 ARG 11 HG1 ARG 11 -1.432 -6.019 4.930 87 HD2 ARG 11 HD2 ARG 11 -0.044 -8.530 3.951 88 HD3 ARG 11 HD1 ARG 11 -1.375 -8.411 5.094 89 HE ARG 11 HE ARG 11 -2.397 -7.265 2.788 90 HH11 ARG 11 HH21 ARG 11 -0.863 -10.245 3.623 91 HH12 ARG 11 HH22 ARG 11 -1.698 -11.163 2.415 92 HH21 ARG 11 HH11 ARG 11 -3.491 -8.450 1.211 93 HH22 ARG 11 HH12 ARG 11 -3.185 -10.147 1.051 94 H THR 12 HN THR 12 2.337 -6.925 0.489 95 HA THR 12 HA THR 12 2.437 -4.200 -0.653 96 HB THR 12 HB THR 12 3.947 -5.885 -2.328 97 HG1 THR 12 HG1 THR 12 3.888 -7.566 -0.913 98 HG21 THR 12 HG21 THR 12 5.907 -4.807 -1.290 99 HG22 THR 12 HG22 THR 12 4.906 -4.270 0.059 100 HG23 THR 12 HG23 THR 12 4.615 -3.636 -1.561 101 H PHE 13 HN PHE 13 1.966 -4.024 -2.989 102 HA PHE 13 HA PHE 13 -0.164 -5.960 -3.892 103 HB2 PHE 13 HB2 PHE 13 -0.015 -2.958 -4.292 104 HB3 PHE 13 HB1 PHE 13 -1.299 -4.018 -4.877 105 HD1 PHE 13 HD1 PHE 13 0.429 -2.826 -1.778 106 HD2 PHE 13 HD2 PHE 13 -3.094 -4.653 -3.427 107 HE1 PHE 13 HE1 PHE 13 -0.679 -2.724 0.436 108 HE2 PHE 13 HE2 PHE 13 -4.200 -4.511 -1.222 109 HZ PHE 13 HZ PHE 13 -2.984 -3.535 0.703 110 H ARG 14 HN ARG 14 0.058 -6.732 -5.947 111 HA ARG 14 HA ARG 14 2.513 -6.276 -7.395 112 HB2 ARG 14 HB2 ARG 14 -0.126 -7.535 -8.231 113 HB3 ARG 14 HB1 ARG 14 1.293 -7.488 -9.276 114 HG2 ARG 14 HG2 ARG 14 2.588 -8.761 -7.632 115 HG3 ARG 14 HG1 ARG 14 1.223 -8.751 -6.516 116 HD2 ARG 14 HD2 ARG 14 -0.122 -10.044 -8.085 117 HD3 ARG 14 HD1 ARG 14 1.166 -9.974 -9.289 118 HE ARG 14 HE ARG 14 2.376 -11.122 -7.064 119 HH11 ARG 14 HH21 ARG 14 -0.416 -11.741 -9.001 120 HH12 ARG 14 HH22 ARG 14 -0.370 -13.455 -8.749 121 HH21 ARG 14 HH11 ARG 14 2.444 -13.352 -6.728 122 HH22 ARG 14 HH12 ARG 14 1.247 -14.365 -7.462 123 H ASN 15 HN ASN 15 -0.808 -5.131 -7.717 124 HA ASN 15 HA ASN 15 0.072 -3.037 -9.686 125 HB2 ASN 15 HB2 ASN 15 -2.542 -2.751 -9.839 126 HB3 ASN 15 HB1 ASN 15 -1.765 -4.073 -10.717 127 HD21 ASN 15 HD21 ASN 15 -4.095 -4.953 -10.471 128 HD22 ASN 15 HD22 ASN 15 -4.421 -5.875 -9.082 129 H GLU 16 HN GLU 16 0.218 -1.005 -8.921 130 HA GLU 16 HA GLU 16 -0.327 -0.432 -6.180 131 HB2 GLU 16 HB2 GLU 16 0.143 1.380 -8.568 132 HB3 GLU 16 HB1 GLU 16 -0.067 2.005 -6.932 133 HG2 GLU 16 HG2 GLU 16 1.852 0.642 -6.169 134 HG3 GLU 16 HG1 GLU 16 2.077 0.046 -7.814 135 H LYS 17 HN LYS 17 -2.290 -0.511 -8.994 136 HA LYS 17 HA LYS 17 -4.335 1.292 -8.372 137 HB2 LYS 17 HB2 LYS 17 -4.041 -0.172 -10.475 138 HB3 LYS 17 HB1 LYS 17 -4.835 -1.453 -9.566 139 HG2 LYS 17 HG2 LYS 17 -6.742 0.187 -9.141 140 HG3 LYS 17 HG1 LYS 17 -5.974 1.258 -10.312 141 HD2 LYS 17 HD2 LYS 17 -6.954 -1.567 -10.839 142 HD3 LYS 17 HD1 LYS 17 -7.707 -0.079 -11.413 143 HE2 LYS 17 HE2 LYS 17 -6.448 -0.773 -13.286 144 HE3 LYS 17 HE1 LYS 17 -5.357 0.380 -12.517 145 HZ1 LYS 17 HZ1 LYS 17 -4.857 -2.271 -13.087 146 HZ2 LYS 17 HZ2 LYS 17 -5.046 -2.210 -11.399 147 HZ3 LYS 17 HZ3 LYS 17 -3.891 -1.226 -12.164 148 H GLU 18 HN GLU 18 -3.976 -2.119 -7.407 149 HA GLU 18 HA GLU 18 -6.346 -2.202 -5.825 150 HB2 GLU 18 HB2 GLU 18 -3.839 -3.891 -5.813 151 HB3 GLU 18 HB1 GLU 18 -5.255 -4.252 -4.818 152 HG2 GLU 18 HG2 GLU 18 -6.651 -4.497 -6.780 153 HG3 GLU 18 HG1 GLU 18 -5.351 -3.938 -7.831 154 H LEU 19 HN LEU 19 -3.077 -1.149 -5.168 155 HA LEU 19 HA LEU 19 -3.360 -1.101 -2.287 156 HB2 LEU 19 HB2 LEU 19 -1.144 -1.142 -3.149 157 HB3 LEU 19 HB1 LEU 19 -1.470 0.171 -4.254 158 HG LEU 19 HG LEU 19 -1.662 1.689 -2.229 159 HD11 LEU 19 HD11 LEU 19 -0.731 0.932 -0.123 160 HD12 LEU 19 HD12 LEU 19 -0.410 -0.651 -0.815 161 HD13 LEU 19 HD13 LEU 19 -2.067 -0.128 -0.558 162 HD21 LEU 19 HD21 LEU 19 0.956 0.246 -2.636 163 HD22 LEU 19 HD22 LEU 19 0.768 1.836 -1.897 164 HD23 LEU 19 HD23 LEU 19 0.369 1.602 -3.599 165 H ARG 20 HN ARG 20 -3.851 1.277 -4.891 166 HA ARG 20 HA ARG 20 -4.341 3.557 -3.276 167 HB2 ARG 20 HB2 ARG 20 -4.133 3.549 -5.781 168 HB3 ARG 20 HB1 ARG 20 -5.745 2.842 -5.866 169 HG2 ARG 20 HG2 ARG 20 -6.671 4.809 -4.684 170 HG3 ARG 20 HG1 ARG 20 -5.056 5.517 -4.607 171 HD2 ARG 20 HD2 ARG 20 -6.481 4.771 -7.175 172 HD3 ARG 20 HD1 ARG 20 -6.414 6.403 -6.507 173 HE ARG 20 HE ARG 20 -3.750 5.629 -6.658 174 HH11 ARG 20 HH21 ARG 20 -6.434 5.793 -8.827 175 HH12 ARG 20 HH22 ARG 20 -5.454 6.099 -10.222 176 HH21 ARG 20 HH11 ARG 20 -2.464 6.027 -8.468 177 HH22 ARG 20 HH12 ARG 20 -3.208 6.231 -10.019 178 H ASP 21 HN ASP 21 -6.409 0.929 -4.255 179 HA ASP 21 HA ASP 21 -8.814 1.983 -3.082 180 HB2 ASP 21 HB2 ASP 21 -8.095 -0.796 -4.043 181 HB3 ASP 21 HB1 ASP 21 -9.702 -0.332 -3.485 182 H PHE 22 HN PHE 22 -6.624 -0.696 -2.169 183 HA PHE 22 HA PHE 22 -7.881 -1.232 0.294 184 HB2 PHE 22 HB2 PHE 22 -5.188 -1.777 -0.886 185 HB3 PHE 22 HB1 PHE 22 -5.328 -1.970 0.855 186 HD1 PHE 22 HD1 PHE 22 -7.712 -2.663 -1.951 187 HD2 PHE 22 HD2 PHE 22 -5.471 -4.291 1.336 188 HE1 PHE 22 HE1 PHE 22 -8.775 -4.865 -2.312 189 HE2 PHE 22 HE2 PHE 22 -6.538 -6.487 0.971 190 HZ PHE 22 HZ PHE 22 -8.193 -6.784 -0.852 191 H ILE 23 HN ILE 23 -5.778 1.290 -0.700 192 HA ILE 23 HA ILE 23 -4.934 2.155 1.921 193 HB ILE 23 HB ILE 23 -4.952 3.262 -0.869 194 HG12 ILE 23 HG12 ILE 23 -2.836 3.143 1.317 195 HG13 ILE 23 HG11 ILE 23 -3.032 1.961 0.030 196 HG21 ILE 23 HG21 ILE 23 -4.658 4.999 1.581 197 HG22 ILE 23 HG22 ILE 23 -5.804 5.205 0.252 198 HG23 ILE 23 HG23 ILE 23 -4.099 5.489 -0.013 199 HD11 ILE 23 HD11 ILE 23 -1.263 3.447 -0.632 200 HD12 ILE 23 HD12 ILE 23 -2.243 4.864 -0.246 201 HD13 ILE 23 HD13 ILE 23 -2.669 3.842 -1.615 202 H GLU 24 HN GLU 24 -7.653 2.812 -0.186 203 HA GLU 24 HA GLU 24 -8.806 4.922 1.306 204 HB2 GLU 24 HB2 GLU 24 -10.195 2.782 -0.329 205 HB3 GLU 24 HB1 GLU 24 -11.042 4.136 0.397 206 HG2 GLU 24 HG2 GLU 24 -9.668 5.720 -0.863 207 HG3 GLU 24 HG1 GLU 24 -8.745 4.393 -1.566 208 H LYS 25 HN LYS 25 -8.720 1.486 1.847 209 HA LYS 25 HA LYS 25 -10.696 1.514 4.014 210 HB2 LYS 25 HB2 LYS 25 -8.609 -0.548 3.238 211 HB3 LYS 25 HB1 LYS 25 -9.845 -0.797 4.462 212 HG2 LYS 25 HG2 LYS 25 -10.642 0.021 1.650 213 HG3 LYS 25 HG1 LYS 25 -10.285 -1.664 2.010 214 HD2 LYS 25 HD2 LYS 25 -11.997 -1.608 3.831 215 HD3 LYS 25 HD1 LYS 25 -12.404 0.041 3.360 216 HE2 LYS 25 HE2 LYS 25 -13.943 -1.596 2.329 217 HE3 LYS 25 HE1 LYS 25 -13.010 -0.730 1.109 218 HZ1 LYS 25 HZ1 LYS 25 -11.742 -2.555 0.643 219 HZ2 LYS 25 HZ2 LYS 25 -13.212 -3.312 1.037 220 HZ3 LYS 25 HZ3 LYS 25 -11.952 -3.249 2.176 221 H PHE 26 HN PHE 26 -7.125 1.558 3.809 222 HA PHE 26 HA PHE 26 -6.759 1.474 6.690 223 HB2 PHE 26 HB2 PHE 26 -4.773 2.680 4.741 224 HB3 PHE 26 HB1 PHE 26 -4.444 1.896 6.279 225 HD1 PHE 26 HD1 PHE 26 -6.355 -0.573 5.761 226 HD2 PHE 26 HD2 PHE 26 -3.290 1.343 3.412 227 HE1 PHE 26 HE1 PHE 26 -5.932 -2.691 4.574 228 HE2 PHE 26 HE2 PHE 26 -2.882 -0.794 2.218 229 HZ PHE 26 HZ PHE 26 -4.201 -2.809 2.808 230 H11A DNS 27 H22 DNS 27 3.923 5.223 4.000 231 H12 DNS 27 H23 DNS 27 3.449 6.407 5.222 232 H13 DNS 27 H24 DNS 27 3.547 6.888 3.515 233 H21 DNS 27 H21 DNS 27 2.486 3.752 4.570 234 H22 DNS 27 H19 DNS 27 0.763 3.901 4.179 235 H23 DNS 27 H20 DNS 27 1.372 4.531 5.713 236 H4 DNS 27 H14 DNS 27 1.670 6.494 6.610 237 H5 DNS 27 H15 DNS 27 0.138 8.311 7.407 238 H6 DNS 27 H16 DNS 27 -1.341 9.514 5.781 239 HZ DNS 27 HZ1 DNS 27 -3.623 9.585 5.499 240 HE3 DNS 27 HE1 DNS 27 -5.283 9.097 3.997 241 HE2 DNS 27 HE2 DNS 27 -4.121 8.418 2.866 242 HD3 DNS 27 HD1 DNS 27 -3.699 6.548 4.399 243 HD2 DNS 27 HD2 DNS 27 -4.849 7.220 5.549 244 HG3 DNS 27 HG1 DNS 27 -5.780 6.721 2.718 245 HG2 DNS 27 HG2 DNS 27 -5.587 5.336 3.777 246 HB3 DNS 27 HB1 DNS 27 -7.188 7.751 4.671 247 HB2 DNS 27 HB2 DNS 27 -7.927 6.519 3.653 248 HA DNS 27 HA DNS 27 -6.750 6.140 6.429 249 H DNS 27 HN DNS 27 -7.453 4.040 4.421 250 H9 DNS 27 H9 DNS 27 -2.093 9.211 1.037 251 H10 DNS 27 H10 DNS 27 -0.564 7.399 0.250 252 H11 DNS 27 H11 DNS 27 0.914 6.199 1.875 253 H GLY 28 HN GLY 28 -8.276 6.931 7.777 254 HA2 GLY 28 HA2 GLY 28 -10.919 7.605 7.101 255 HA3 GLY 28 HA1 GLY 28 -10.984 5.961 7.740 256 H ARG 29 HN ARG 29 -8.927 8.698 8.678 257 HA ARG 29 HA ARG 29 -9.329 8.171 11.498 258 HB2 ARG 29 HB2 ARG 29 -7.984 10.171 11.871 259 HB3 ARG 29 HB1 ARG 29 -7.259 9.214 10.580 260 HG2 ARG 29 HG2 ARG 29 -8.508 10.702 8.928 261 HG3 ARG 29 HG1 ARG 29 -8.925 11.735 10.294 262 HD2 ARG 29 HD2 ARG 29 -6.135 11.052 9.328 263 HD3 ARG 29 HD1 ARG 29 -6.928 12.625 9.239 264 HE ARG 29 HE ARG 29 -6.973 12.015 11.945 265 HH11 ARG 29 HH21 ARG 29 -4.572 12.182 9.467 266 HH12 ARG 29 HH22 ARG 29 -3.302 12.649 10.548 267 HH21 ARG 29 HH11 ARG 29 -5.326 12.624 13.363 268 HH22 ARG 29 HH12 ARG 29 -3.729 12.898 12.751 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 13.243 2.112 -9.676 2 H2 GLY 1 HT2 GLY 1 12.508 2.058 -8.145 3 H3 GLY 1 HT3 GLY 1 11.556 2.233 -9.541 4 HA2 GLY 1 HA2 GLY 1 11.603 0.047 -10.172 5 HA3 GLY 1 HA1 GLY 1 13.167 -0.151 -9.325 6 H GLN 2 HN GLN 2 13.046 0.865 -6.917 7 HA GLN 2 HA GLN 2 13.000 -1.772 -5.773 8 HB2 GLN 2 HB2 GLN 2 13.186 -0.564 -3.591 9 HB3 GLN 2 HB1 GLN 2 14.370 -0.016 -4.777 10 HG2 GLN 2 HG2 GLN 2 12.843 1.876 -5.365 11 HG3 GLN 2 HG1 GLN 2 11.758 1.359 -4.075 12 HE21 GLN 2 HE21 GLN 2 13.722 3.798 -4.496 13 HE22 GLN 2 HE22 GLN 2 14.526 3.881 -3.003 14 H GLN 3 HN GLN 3 11.402 -2.783 -4.524 15 HA GLN 3 HA GLN 3 8.666 -2.033 -5.080 16 HB2 GLN 3 HB2 GLN 3 9.642 -3.985 -2.975 17 HB3 GLN 3 HB1 GLN 3 8.041 -3.925 -3.715 18 HG2 GLN 3 HG2 GLN 3 10.620 -4.464 -5.222 19 HG3 GLN 3 HG1 GLN 3 9.477 -5.702 -4.709 20 HE21 GLN 3 HE21 GLN 3 10.178 -5.001 -7.511 21 HE22 GLN 3 HE22 GLN 3 8.732 -4.509 -8.250 22 H TYR 4 HN TYR 4 7.121 -1.218 -3.644 23 HA TYR 4 HA TYR 4 8.005 0.762 -1.820 24 HB2 TYR 4 HB2 TYR 4 5.215 0.062 -1.313 25 HB3 TYR 4 HB1 TYR 4 5.847 1.487 -2.117 26 HD1 TYR 4 HD2 TYR 4 6.851 0.997 -4.562 27 HD2 TYR 4 HD1 TYR 4 3.770 -1.300 -2.632 28 HE1 TYR 4 HE2 TYR 4 6.077 0.173 -6.765 29 HE2 TYR 4 HE1 TYR 4 3.007 -2.114 -4.833 30 HH TYR 4 HH TYR 4 3.394 -2.156 -7.018 31 H THR 5 HN THR 5 8.734 0.468 0.259 32 HA THR 5 HA THR 5 7.902 -2.027 1.756 33 HB THR 5 HB THR 5 10.077 -2.156 2.656 34 HG1 THR 5 HG1 THR 5 10.328 -0.046 3.301 35 HG21 THR 5 HG21 THR 5 11.540 -2.241 0.776 36 HG22 THR 5 HG22 THR 5 10.686 -0.928 -0.031 37 HG23 THR 5 HG23 THR 5 9.931 -2.517 0.101 38 H ALA 6 HN ALA 6 8.374 1.433 1.942 39 HA ALA 6 HA ALA 6 7.912 1.586 4.847 40 HB1 ALA 6 HB1 ALA 6 8.020 3.998 4.507 41 HB2 ALA 6 HB2 ALA 6 7.842 3.808 2.759 42 HB3 ALA 6 HB3 ALA 6 9.317 3.260 3.568 43 H1 NAL 7 H1 NAL 7 3.302 4.952 0.506 44 H3 NAL 7 H3 NAL 7 6.612 2.299 -0.143 45 H4 NAL 7 H4 NAL 7 7.934 4.143 -1.152 46 H5 NAL 7 H5 NAL 7 8.109 6.611 -1.883 47 H6 NAL 7 H6 NAL 7 7.080 8.855 -2.076 48 H7 NAL 7 H7 NAL 7 4.768 9.253 -1.264 49 H8 NAL 7 H8 NAL 7 3.460 7.407 -0.251 50 H91 NAL 7 H91 NAL 7 3.049 2.623 0.568 51 H92 NAL 7 H92 NAL 7 4.451 1.550 0.554 52 H10 NAL 7 H10 NAL 7 3.933 3.689 2.652 53 HN1 NAL 7 HN1 NAL 7 6.332 2.647 1.934 54 H ILE 8 HN ILE 8 4.545 0.195 2.406 55 HA ILE 8 HA ILE 8 2.374 -0.283 4.384 56 HB ILE 8 HB ILE 8 1.596 -2.143 2.608 57 HG12 ILE 8 HG12 ILE 8 1.649 -1.289 0.306 58 HG13 ILE 8 HG11 ILE 8 2.570 0.121 0.808 59 HG21 ILE 8 HG21 ILE 8 -0.144 -0.615 1.821 60 HG22 ILE 8 HG22 ILE 8 0.825 0.780 2.300 61 HG23 ILE 8 HG23 ILE 8 0.170 -0.312 3.530 62 HD11 ILE 8 HD11 ILE 8 3.934 -1.669 -0.289 63 HD12 ILE 8 HD12 ILE 8 3.550 -2.741 1.043 64 HD13 ILE 8 HD13 ILE 8 4.493 -1.270 1.326 65 H LYS 9 HN LYS 9 3.644 -1.243 5.872 66 HA LYS 9 HA LYS 9 5.738 -3.110 5.158 67 HB2 LYS 9 HB2 LYS 9 5.897 -1.581 7.136 68 HB3 LYS 9 HB1 LYS 9 4.623 -2.527 7.911 69 HG2 LYS 9 HG2 LYS 9 6.007 -4.528 7.848 70 HG3 LYS 9 HG1 LYS 9 7.253 -3.678 6.933 71 HD2 LYS 9 HD2 LYS 9 7.617 -2.143 8.813 72 HD3 LYS 9 HD1 LYS 9 6.337 -2.940 9.728 73 HE2 LYS 9 HE2 LYS 9 7.619 -5.071 9.612 74 HE3 LYS 9 HE1 LYS 9 8.920 -4.217 8.781 75 HZ1 LYS 9 HZ1 LYS 9 8.228 -4.236 11.570 76 HZ2 LYS 9 HZ2 LYS 9 8.451 -2.670 10.952 77 HZ3 LYS 9 HZ3 LYS 9 9.692 -3.822 10.820 78 H GLY 10 HN GLY 10 5.352 -5.207 4.672 79 HA2 GLY 10 HA2 GLY 10 4.680 -7.426 5.279 80 HA3 GLY 10 HA1 GLY 10 3.433 -6.765 6.326 81 H ARG 11 HN ARG 11 2.671 -4.954 3.855 82 HA ARG 11 HA ARG 11 1.283 -7.091 2.241 83 HB2 ARG 11 HB2 ARG 11 -0.010 -4.554 3.294 84 HB3 ARG 11 HB1 ARG 11 -0.773 -5.777 2.285 85 HG2 ARG 11 HG2 ARG 11 -1.516 -6.574 4.339 86 HG3 ARG 11 HG1 ARG 11 0.042 -7.394 4.325 87 HD2 ARG 11 HD2 ARG 11 -0.254 -6.300 6.474 88 HD3 ARG 11 HD1 ARG 11 1.004 -5.439 5.591 89 HE ARG 11 HE ARG 11 -1.326 -4.081 4.929 90 HH11 ARG 11 HH21 ARG 11 0.284 -5.025 7.835 91 HH12 ARG 11 HH22 ARG 11 -0.296 -3.674 8.749 92 HH21 ARG 11 HH11 ARG 11 -2.088 -2.316 6.111 93 HH22 ARG 11 HH12 ARG 11 -1.638 -2.141 7.774 94 H THR 12 HN THR 12 2.492 -6.751 0.362 95 HA THR 12 HA THR 12 2.589 -4.023 -0.772 96 HB THR 12 HB THR 12 4.040 -5.699 -2.498 97 HG1 THR 12 HG1 THR 12 4.204 -6.558 0.185 98 HG21 THR 12 HG21 THR 12 6.031 -4.665 -1.511 99 HG22 THR 12 HG22 THR 12 5.103 -4.185 -0.090 100 HG23 THR 12 HG23 THR 12 4.742 -3.469 -1.661 101 H PHE 13 HN PHE 13 2.053 -3.833 -3.107 102 HA PHE 13 HA PHE 13 -0.067 -5.791 -3.980 103 HB2 PHE 13 HB2 PHE 13 -0.094 -2.776 -4.306 104 HB3 PHE 13 HB1 PHE 13 -1.371 -3.896 -4.784 105 HD1 PHE 13 HD1 PHE 13 0.559 -2.620 -1.847 106 HD2 PHE 13 HD2 PHE 13 -2.999 -4.624 -3.187 107 HE1 PHE 13 HE1 PHE 13 -0.354 -2.576 0.461 108 HE2 PHE 13 HE2 PHE 13 -3.912 -4.541 -0.888 109 HZ PHE 13 HZ PHE 13 -2.582 -3.505 0.928 110 H ARG 14 HN ARG 14 0.150 -6.493 -6.054 111 HA ARG 14 HA ARG 14 2.486 -5.802 -7.602 112 HB2 ARG 14 HB2 ARG 14 1.230 -7.978 -7.863 113 HB3 ARG 14 HB1 ARG 14 -0.084 -7.079 -8.625 114 HG2 ARG 14 HG2 ARG 14 1.461 -6.311 -10.392 115 HG3 ARG 14 HG1 ARG 14 2.778 -7.203 -9.630 116 HD2 ARG 14 HD2 ARG 14 1.839 -8.525 -11.461 117 HD3 ARG 14 HD1 ARG 14 1.484 -9.307 -9.921 118 HE ARG 14 HE ARG 14 -0.736 -7.705 -10.385 119 HH11 ARG 14 HH21 ARG 14 0.994 -10.143 -12.116 120 HH12 ARG 14 HH22 ARG 14 -0.403 -10.713 -12.966 121 HH21 ARG 14 HH11 ARG 14 -2.562 -8.439 -11.488 122 HH22 ARG 14 HH12 ARG 14 -2.414 -9.749 -12.611 123 H ASN 15 HN ASN 15 -0.904 -4.844 -7.684 124 HA ASN 15 HA ASN 15 -0.305 -2.690 -9.689 125 HB2 ASN 15 HB2 ASN 15 -2.972 -2.544 -9.482 126 HB3 ASN 15 HB1 ASN 15 -2.215 -3.736 -10.545 127 HD21 ASN 15 HD21 ASN 15 -4.115 -5.158 -10.235 128 HD22 ASN 15 HD22 ASN 15 -4.297 -6.041 -8.797 129 H GLU 16 HN GLU 16 -0.146 -0.658 -8.918 130 HA GLU 16 HA GLU 16 -0.431 -0.123 -6.125 131 HB2 GLU 16 HB2 GLU 16 -0.166 1.680 -8.547 132 HB3 GLU 16 HB1 GLU 16 -0.296 2.338 -6.916 133 HG2 GLU 16 HG2 GLU 16 1.787 0.271 -7.691 134 HG3 GLU 16 HG1 GLU 16 2.085 2.006 -7.780 135 H LYS 17 HN LYS 17 -2.702 -0.183 -8.729 136 HA LYS 17 HA LYS 17 -4.626 1.610 -7.691 137 HB2 LYS 17 HB2 LYS 17 -4.524 -0.468 -9.771 138 HB3 LYS 17 HB1 LYS 17 -6.090 -0.469 -8.973 139 HG2 LYS 17 HG2 LYS 17 -6.270 1.034 -10.830 140 HG3 LYS 17 HG1 LYS 17 -6.190 2.040 -9.384 141 HD2 LYS 17 HD2 LYS 17 -3.701 2.265 -9.783 142 HD3 LYS 17 HD1 LYS 17 -3.929 1.427 -11.316 143 HE2 LYS 17 HE2 LYS 17 -5.186 4.057 -10.489 144 HE3 LYS 17 HE1 LYS 17 -3.960 3.817 -11.734 145 HZ1 LYS 17 HZ1 LYS 17 -5.500 2.536 -13.019 146 HZ2 LYS 17 HZ2 LYS 17 -6.234 4.017 -12.624 147 HZ3 LYS 17 HZ3 LYS 17 -6.668 2.602 -11.790 148 H GLU 18 HN GLU 18 -4.226 -1.905 -7.213 149 HA GLU 18 HA GLU 18 -6.401 -2.243 -5.449 150 HB2 GLU 18 HB2 GLU 18 -3.767 -3.716 -5.661 151 HB3 GLU 18 HB1 GLU 18 -5.077 -4.231 -4.594 152 HG2 GLU 18 HG2 GLU 18 -6.593 -4.425 -6.516 153 HG3 GLU 18 HG1 GLU 18 -5.311 -3.880 -7.597 154 H LEU 19 HN LEU 19 -3.182 -0.987 -4.959 155 HA LEU 19 HA LEU 19 -3.328 -0.990 -2.050 156 HB2 LEU 19 HB2 LEU 19 -1.145 -0.987 -2.986 157 HB3 LEU 19 HB1 LEU 19 -1.532 0.305 -4.090 158 HG LEU 19 HG LEU 19 -1.687 1.841 -2.076 159 HD11 LEU 19 HD11 LEU 19 -0.680 1.129 0.007 160 HD12 LEU 19 HD12 LEU 19 -0.352 -0.457 -0.670 161 HD13 LEU 19 HD13 LEU 19 -2.011 0.042 -0.373 162 HD21 LEU 19 HD21 LEU 19 0.943 0.441 -2.546 163 HD22 LEU 19 HD22 LEU 19 0.749 2.037 -1.821 164 HD23 LEU 19 HD23 LEU 19 0.303 1.774 -3.507 165 H ARG 20 HN ARG 20 -4.026 1.321 -4.650 166 HA ARG 20 HA ARG 20 -4.507 3.609 -3.027 167 HB2 ARG 20 HB2 ARG 20 -4.449 3.244 -5.673 168 HB3 ARG 20 HB1 ARG 20 -6.189 3.088 -5.483 169 HG2 ARG 20 HG2 ARG 20 -4.464 5.464 -4.705 170 HG3 ARG 20 HG1 ARG 20 -5.678 5.405 -5.979 171 HD2 ARG 20 HD2 ARG 20 -7.362 4.823 -4.090 172 HD3 ARG 20 HD1 ARG 20 -6.107 5.396 -2.987 173 HE ARG 20 HE ARG 20 -6.335 7.433 -4.859 174 HH11 ARG 20 HH21 ARG 20 -8.474 5.703 -2.770 175 HH12 ARG 20 HH22 ARG 20 -9.555 7.039 -2.557 176 HH21 ARG 20 HH11 ARG 20 -7.736 9.180 -4.588 177 HH22 ARG 20 HH12 ARG 20 -9.138 9.006 -3.586 178 H ASP 21 HN ASP 21 -6.522 0.924 -3.971 179 HA ASP 21 HA ASP 21 -8.919 1.881 -2.714 180 HB2 ASP 21 HB2 ASP 21 -9.010 0.282 -4.581 181 HB3 ASP 21 HB1 ASP 21 -8.176 -0.918 -3.595 182 H PHE 22 HN PHE 22 -6.586 -0.689 -1.851 183 HA PHE 22 HA PHE 22 -7.764 -1.258 0.651 184 HB2 PHE 22 HB2 PHE 22 -5.085 -1.732 -0.598 185 HB3 PHE 22 HB1 PHE 22 -5.192 -1.939 1.143 186 HD1 PHE 22 HD1 PHE 22 -7.641 -2.677 -1.601 187 HD2 PHE 22 HD2 PHE 22 -5.225 -4.273 1.577 188 HE1 PHE 22 HE1 PHE 22 -8.640 -4.909 -1.955 189 HE2 PHE 22 HE2 PHE 22 -6.229 -6.497 1.219 190 HZ PHE 22 HZ PHE 22 -7.938 -6.825 -0.547 191 H ILE 23 HN ILE 23 -5.746 1.316 -0.421 192 HA ILE 23 HA ILE 23 -4.809 2.199 2.155 193 HB ILE 23 HB ILE 23 -5.010 3.320 -0.615 194 HG12 ILE 23 HG12 ILE 23 -2.802 3.379 1.482 195 HG13 ILE 23 HG11 ILE 23 -2.982 2.136 0.251 196 HG21 ILE 23 HG21 ILE 23 -4.236 5.601 0.253 197 HG22 ILE 23 HG22 ILE 23 -4.821 5.079 1.829 198 HG23 ILE 23 HG23 ILE 23 -5.937 5.218 0.469 199 HD11 ILE 23 HD11 ILE 23 -2.446 5.077 -0.227 200 HD12 ILE 23 HD12 ILE 23 -2.745 3.900 -1.495 201 HD13 ILE 23 HD13 ILE 23 -1.316 3.748 -0.483 202 H GLU 24 HN GLU 24 -7.650 2.774 0.210 203 HA GLU 24 HA GLU 24 -8.815 4.773 1.865 204 HB2 GLU 24 HB2 GLU 24 -10.162 2.727 0.082 205 HB3 GLU 24 HB1 GLU 24 -11.033 4.009 0.905 206 HG2 GLU 24 HG2 GLU 24 -8.700 4.531 -0.964 207 HG3 GLU 24 HG1 GLU 24 -10.382 4.536 -1.488 208 H LYS 25 HN LYS 25 -8.538 1.325 2.179 209 HA LYS 25 HA LYS 25 -10.552 1.053 4.274 210 HB2 LYS 25 HB2 LYS 25 -9.707 -0.824 2.755 211 HB3 LYS 25 HB1 LYS 25 -8.227 -0.812 3.706 212 HG2 LYS 25 HG2 LYS 25 -9.462 -2.477 4.817 213 HG3 LYS 25 HG1 LYS 25 -9.866 -1.060 5.778 214 HD2 LYS 25 HD2 LYS 25 -11.976 -0.798 4.539 215 HD3 LYS 25 HD1 LYS 25 -11.549 -2.152 3.495 216 HE2 LYS 25 HE2 LYS 25 -13.070 -2.920 5.245 217 HE3 LYS 25 HE1 LYS 25 -11.474 -3.628 5.498 218 HZ1 LYS 25 HZ1 LYS 25 -12.499 -2.706 7.536 219 HZ2 LYS 25 HZ2 LYS 25 -12.430 -1.159 6.838 220 HZ3 LYS 25 HZ3 LYS 25 -10.997 -2.011 7.165 221 H PHE 26 HN PHE 26 -6.961 1.217 4.252 222 HA PHE 26 HA PHE 26 -6.696 1.086 7.111 223 HB2 PHE 26 HB2 PHE 26 -4.781 2.646 5.350 224 HB3 PHE 26 HB1 PHE 26 -4.423 1.731 6.810 225 HD1 PHE 26 HD1 PHE 26 -5.978 -0.844 6.088 226 HD2 PHE 26 HD2 PHE 26 -3.254 1.615 3.828 227 HE1 PHE 26 HE1 PHE 26 -5.352 -2.794 4.711 228 HE2 PHE 26 HE2 PHE 26 -2.641 -0.353 2.443 229 HZ PHE 26 HZ PHE 26 -3.685 -2.556 2.896 230 H11A DNS 27 H22 DNS 27 4.036 3.602 5.133 231 H12 DNS 27 H23 DNS 27 5.445 4.346 5.897 232 H13 DNS 27 H24 DNS 27 5.059 4.714 4.204 233 H21 DNS 27 H21 DNS 27 3.888 7.770 5.635 234 H22 DNS 27 H19 DNS 27 4.569 6.996 4.192 235 H23 DNS 27 H20 DNS 27 5.464 6.953 5.715 236 H4 DNS 27 H14 DNS 27 3.150 5.702 2.997 237 H5 DNS 27 H15 DNS 27 0.799 5.555 2.141 238 H6 DNS 27 H16 DNS 27 -1.115 5.355 3.744 239 HZ DNS 27 HZ1 DNS 27 -1.432 6.850 5.049 240 HE3 DNS 27 HE1 DNS 27 -2.699 7.608 3.350 241 HE2 DNS 27 HE2 DNS 27 -3.184 5.925 3.376 242 HD3 DNS 27 HD1 DNS 27 -4.602 8.231 4.737 243 HD2 DNS 27 HD2 DNS 27 -5.153 7.342 3.317 244 HG3 DNS 27 HG1 DNS 27 -5.068 5.237 4.816 245 HG2 DNS 27 HG2 DNS 27 -4.930 6.351 6.176 246 HB3 DNS 27 HB1 DNS 27 -7.036 7.464 5.426 247 HB2 DNS 27 HB2 DNS 27 -7.200 6.243 4.163 248 HA DNS 27 HA DNS 27 -7.127 5.735 7.158 249 H DNS 27 HN DNS 27 -7.006 3.822 4.872 250 H9 DNS 27 H9 DNS 27 -1.491 5.167 8.548 251 H10 DNS 27 H10 DNS 27 0.855 5.321 9.387 252 H11 DNS 27 H11 DNS 27 2.761 5.516 7.778 253 H GLY 28 HN GLY 28 -8.874 7.490 5.389 254 HA2 GLY 28 HA2 GLY 28 -11.405 6.153 5.054 255 HA3 GLY 28 HA1 GLY 28 -11.358 7.016 6.591 256 H ARG 29 HN ARG 29 -9.846 9.230 5.900 257 HA ARG 29 HA ARG 29 -10.997 10.515 3.513 258 HB2 ARG 29 HB2 ARG 29 -12.018 12.372 4.877 259 HB3 ARG 29 HB1 ARG 29 -12.851 10.827 5.047 260 HG2 ARG 29 HG2 ARG 29 -11.622 10.389 7.144 261 HG3 ARG 29 HG1 ARG 29 -10.790 11.935 6.980 262 HD2 ARG 29 HD2 ARG 29 -12.991 13.092 7.031 263 HD3 ARG 29 HD1 ARG 29 -13.778 11.536 7.291 264 HE ARG 29 HE ARG 29 -11.882 11.676 9.315 265 HH11 ARG 29 HH21 ARG 29 -14.464 13.660 8.164 266 HH12 ARG 29 HH22 ARG 29 -14.811 14.335 9.721 267 HH21 ARG 29 HH11 ARG 29 -12.325 12.547 11.348 268 HH22 ARG 29 HH12 ARG 29 -13.602 13.705 11.522 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 9.648 1.695 -12.078 2 H2 GLY 1 HT2 GLY 1 8.962 2.092 -10.576 3 H3 GLY 1 HT3 GLY 1 8.633 0.586 -11.288 4 HA2 GLY 1 HA2 GLY 1 10.747 -0.336 -10.906 5 HA3 GLY 1 HA1 GLY 1 11.343 1.303 -10.507 6 H GLN 2 HN GLN 2 9.644 2.593 -9.011 7 HA GLN 2 HA GLN 2 11.341 2.219 -6.709 8 HB2 GLN 2 HB2 GLN 2 8.689 3.674 -6.959 9 HB3 GLN 2 HB1 GLN 2 9.815 3.827 -5.611 10 HG2 GLN 2 HG2 GLN 2 11.547 4.683 -7.128 11 HG3 GLN 2 HG1 GLN 2 10.454 4.493 -8.499 12 HE21 GLN 2 HE21 GLN 2 10.427 6.068 -5.242 13 HE22 GLN 2 HE22 GLN 2 9.613 7.462 -5.768 14 H GLN 3 HN GLN 3 11.179 0.140 -5.856 15 HA GLN 3 HA GLN 3 8.651 -1.220 -5.471 16 HB2 GLN 3 HB2 GLN 3 11.351 -1.711 -4.175 17 HB3 GLN 3 HB1 GLN 3 9.983 -2.824 -4.147 18 HG2 GLN 3 HG2 GLN 3 10.031 -2.924 -6.624 19 HG3 GLN 3 HG1 GLN 3 11.433 -1.853 -6.629 20 HE21 GLN 3 HE21 GLN 3 12.692 -3.050 -4.246 21 HE22 GLN 3 HE22 GLN 3 13.256 -4.581 -4.712 22 H TYR 4 HN TYR 4 7.225 -0.915 -3.835 23 HA TYR 4 HA TYR 4 7.591 1.104 -1.886 24 HB2 TYR 4 HB2 TYR 4 5.489 -0.515 -0.908 25 HB3 TYR 4 HB1 TYR 4 5.305 0.874 -1.966 26 HD1 TYR 4 HD1 TYR 4 6.526 -2.672 -2.381 27 HD2 TYR 4 HD2 TYR 4 3.903 0.423 -3.826 28 HE1 TYR 4 HE1 TYR 4 5.757 -4.164 -4.197 29 HE2 TYR 4 HE2 TYR 4 3.140 -1.082 -5.637 30 HH TYR 4 HH TYR 4 4.312 -3.204 -6.876 31 H THR 5 HN THR 5 8.723 1.028 0.001 32 HA THR 5 HA THR 5 9.302 -1.657 1.264 33 HB THR 5 HB THR 5 11.434 -0.830 1.903 34 HG1 THR 5 HG1 THR 5 10.734 1.722 0.934 35 HG21 THR 5 HG21 THR 5 12.490 -0.306 -0.174 36 HG22 THR 5 HG22 THR 5 11.033 0.466 -0.791 37 HG23 THR 5 HG23 THR 5 11.088 -1.289 -0.604 38 H ALA 6 HN ALA 6 8.223 1.619 1.777 39 HA ALA 6 HA ALA 6 8.010 1.187 4.748 40 HB1 ALA 6 HB1 ALA 6 7.840 3.777 3.161 41 HB2 ALA 6 HB2 ALA 6 9.317 3.177 3.927 42 HB3 ALA 6 HB3 ALA 6 7.923 3.609 4.918 43 H1 NAL 7 H1 NAL 7 3.266 4.764 0.957 44 H3 NAL 7 H3 NAL 7 6.314 2.145 -0.539 45 H4 NAL 7 H4 NAL 7 7.440 4.038 -1.676 46 H5 NAL 7 H5 NAL 7 7.526 6.558 -2.232 47 H6 NAL 7 H6 NAL 7 6.537 8.820 -2.031 48 H7 NAL 7 H7 NAL 7 4.453 9.169 -0.728 49 H8 NAL 7 H8 NAL 7 3.335 7.254 0.385 50 H91 NAL 7 H91 NAL 7 2.961 2.361 0.701 51 H92 NAL 7 H92 NAL 7 4.391 1.337 0.568 52 H10 NAL 7 H10 NAL 7 3.934 3.400 2.757 53 HN1 NAL 7 HN1 NAL 7 6.353 2.547 1.964 54 H ILE 8 HN ILE 8 4.532 -0.073 2.276 55 HA ILE 8 HA ILE 8 2.547 -0.666 4.405 56 HB ILE 8 HB ILE 8 1.576 -2.385 2.572 57 HG12 ILE 8 HG12 ILE 8 1.390 -1.323 0.358 58 HG13 ILE 8 HG11 ILE 8 2.402 0.015 0.882 59 HG21 ILE 8 HG21 ILE 8 0.794 0.549 2.582 60 HG22 ILE 8 HG22 ILE 8 0.266 -0.637 3.786 61 HG23 ILE 8 HG23 ILE 8 -0.226 -0.809 2.101 62 HD11 ILE 8 HD11 ILE 8 4.333 -1.392 1.006 63 HD12 ILE 8 HD12 ILE 8 3.531 -1.784 -0.512 64 HD13 ILE 8 HD13 ILE 8 3.353 -2.852 0.868 65 H LYS 9 HN LYS 9 3.740 -1.891 5.708 66 HA LYS 9 HA LYS 9 5.754 -3.741 4.652 67 HB2 LYS 9 HB2 LYS 9 6.267 -2.244 6.594 68 HB3 LYS 9 HB1 LYS 9 5.074 -3.138 7.537 69 HG2 LYS 9 HG2 LYS 9 6.333 -5.202 7.268 70 HG3 LYS 9 HG1 LYS 9 7.473 -4.407 6.183 71 HD2 LYS 9 HD2 LYS 9 8.113 -2.865 8.029 72 HD3 LYS 9 HD1 LYS 9 7.033 -3.748 9.109 73 HE2 LYS 9 HE2 LYS 9 8.316 -5.822 8.689 74 HE3 LYS 9 HE1 LYS 9 9.408 -4.924 7.635 75 HZ1 LYS 9 HZ1 LYS 9 10.573 -4.409 9.429 76 HZ2 LYS 9 HZ2 LYS 9 9.425 -5.127 10.456 77 HZ3 LYS 9 HZ3 LYS 9 9.260 -3.499 9.998 78 H GLY 10 HN GLY 10 5.585 -5.943 4.718 79 HA2 GLY 10 HA2 GLY 10 4.758 -8.076 5.280 80 HA3 GLY 10 HA1 GLY 10 3.639 -7.320 6.407 81 H ARG 11 HN ARG 11 2.742 -5.530 4.024 82 HA ARG 11 HA ARG 11 1.150 -7.583 2.497 83 HB2 ARG 11 HB2 ARG 11 0.074 -5.046 3.771 84 HB3 ARG 11 HB1 ARG 11 -0.841 -6.139 2.733 85 HG2 ARG 11 HG2 ARG 11 -0.436 -7.976 4.348 86 HG3 ARG 11 HG1 ARG 11 0.408 -6.850 5.405 87 HD2 ARG 11 HD2 ARG 11 -1.808 -5.433 5.239 88 HD3 ARG 11 HD1 ARG 11 -2.540 -6.955 4.739 89 HE ARG 11 HE ARG 11 -1.892 -6.187 7.413 90 HH11 ARG 11 HH21 ARG 11 -1.604 -8.901 5.294 91 HH12 ARG 11 HH22 ARG 11 -1.293 -10.020 6.575 92 HH21 ARG 11 HH11 ARG 11 -1.514 -7.639 9.076 93 HH22 ARG 11 HH12 ARG 11 -1.251 -9.311 8.710 94 H THR 12 HN THR 12 2.270 -7.217 0.546 95 HA THR 12 HA THR 12 2.334 -4.452 -0.505 96 HB THR 12 HB THR 12 3.822 -5.963 -2.295 97 HG1 THR 12 HG1 THR 12 4.404 -7.709 -1.339 98 HG21 THR 12 HG21 THR 12 4.827 -4.649 0.252 99 HG22 THR 12 HG22 THR 12 4.520 -3.826 -1.276 100 HG23 THR 12 HG23 THR 12 5.806 -5.030 -1.166 101 H PHE 13 HN PHE 13 1.793 -4.157 -2.760 102 HA PHE 13 HA PHE 13 -0.358 -6.034 -3.709 103 HB2 PHE 13 HB2 PHE 13 -0.164 -3.029 -4.069 104 HB3 PHE 13 HB1 PHE 13 -1.508 -4.062 -4.561 105 HD1 PHE 13 HD1 PHE 13 0.417 -2.822 -1.608 106 HD2 PHE 13 HD2 PHE 13 -3.189 -4.721 -2.978 107 HE1 PHE 13 HE1 PHE 13 -0.521 -2.723 0.684 108 HE2 PHE 13 HE2 PHE 13 -4.133 -4.570 -0.697 109 HZ PHE 13 HZ PHE 13 -2.792 -3.559 1.126 110 H ARG 14 HN ARG 14 -0.098 -6.799 -5.753 111 HA ARG 14 HA ARG 14 2.329 -6.351 -7.211 112 HB2 ARG 14 HB2 ARG 14 -0.356 -7.520 -8.026 113 HB3 ARG 14 HB1 ARG 14 0.990 -7.402 -9.156 114 HG2 ARG 14 HG2 ARG 14 0.906 -9.627 -8.075 115 HG3 ARG 14 HG1 ARG 14 2.393 -8.769 -7.682 116 HD2 ARG 14 HD2 ARG 14 1.659 -8.283 -5.473 117 HD3 ARG 14 HD1 ARG 14 -0.027 -8.639 -5.863 118 HE ARG 14 HE ARG 14 1.289 -11.040 -6.316 119 HH11 ARG 14 HH21 ARG 14 1.017 -8.784 -3.715 120 HH12 ARG 14 HH22 ARG 14 1.206 -9.987 -2.481 121 HH21 ARG 14 HH11 ARG 14 1.535 -12.614 -4.719 122 HH22 ARG 14 HH12 ARG 14 1.499 -12.152 -3.049 123 H ASN 15 HN ASN 15 -0.948 -5.060 -7.516 124 HA ASN 15 HA ASN 15 0.045 -2.940 -9.404 125 HB2 ASN 15 HB2 ASN 15 -2.593 -2.565 -9.543 126 HB3 ASN 15 HB1 ASN 15 -1.803 -3.790 -10.536 127 HD21 ASN 15 HD21 ASN 15 -4.059 -4.765 -10.476 128 HD22 ASN 15 HD22 ASN 15 -4.446 -5.788 -9.179 129 H GLU 16 HN GLU 16 0.240 -0.942 -8.610 130 HA GLU 16 HA GLU 16 -0.265 -0.354 -5.876 131 HB2 GLU 16 HB2 GLU 16 1.255 0.864 -7.656 132 HB3 GLU 16 HB1 GLU 16 -0.195 1.783 -8.036 133 HG2 GLU 16 HG2 GLU 16 1.034 1.558 -5.275 134 HG3 GLU 16 HG1 GLU 16 1.264 2.919 -6.367 135 H LYS 17 HN LYS 17 -2.262 -0.365 -8.673 136 HA LYS 17 HA LYS 17 -4.318 1.397 -8.018 137 HB2 LYS 17 HB2 LYS 17 -4.095 0.009 -10.136 138 HB3 LYS 17 HB1 LYS 17 -4.718 -1.357 -9.219 139 HG2 LYS 17 HG2 LYS 17 -6.809 -0.203 -8.786 140 HG3 LYS 17 HG1 LYS 17 -6.186 1.287 -9.481 141 HD2 LYS 17 HD2 LYS 17 -7.557 0.334 -11.185 142 HD3 LYS 17 HD1 LYS 17 -5.903 -0.002 -11.681 143 HE2 LYS 17 HE2 LYS 17 -6.069 -2.295 -10.994 144 HE3 LYS 17 HE1 LYS 17 -7.566 -1.997 -10.110 145 HZ1 LYS 17 HZ1 LYS 17 -8.689 -1.545 -12.161 146 HZ2 LYS 17 HZ2 LYS 17 -7.918 -3.053 -12.281 147 HZ3 LYS 17 HZ3 LYS 17 -7.249 -1.692 -13.044 148 H GLU 18 HN GLU 18 -3.944 -2.019 -7.056 149 HA GLU 18 HA GLU 18 -6.298 -2.097 -5.452 150 HB2 GLU 18 HB2 GLU 18 -3.793 -3.776 -5.390 151 HB3 GLU 18 HB1 GLU 18 -5.239 -4.138 -4.447 152 HG2 GLU 18 HG2 GLU 18 -5.242 -3.830 -7.464 153 HG3 GLU 18 HG1 GLU 18 -5.074 -5.382 -6.644 154 H LEU 19 HN LEU 19 -2.974 -1.141 -4.783 155 HA LEU 19 HA LEU 19 -3.331 -1.020 -1.923 156 HB2 LEU 19 HB2 LEU 19 -1.078 -1.059 -2.693 157 HB3 LEU 19 HB1 LEU 19 -1.356 0.236 -3.832 158 HG LEU 19 HG LEU 19 -1.576 1.821 -1.935 159 HD11 LEU 19 HD11 LEU 19 -0.780 -0.526 -0.223 160 HD12 LEU 19 HD12 LEU 19 -2.364 0.228 -0.197 161 HD13 LEU 19 HD13 LEU 19 -0.951 1.129 0.328 162 HD21 LEU 19 HD21 LEU 19 0.929 0.140 -1.984 163 HD22 LEU 19 HD22 LEU 19 0.816 1.722 -1.208 164 HD23 LEU 19 HD23 LEU 19 0.598 1.576 -2.949 165 H ARG 20 HN ARG 20 -3.931 1.175 -4.611 166 HA ARG 20 HA ARG 20 -4.421 3.550 -3.104 167 HB2 ARG 20 HB2 ARG 20 -4.198 3.402 -5.619 168 HB3 ARG 20 HB1 ARG 20 -5.818 2.710 -5.661 169 HG2 ARG 20 HG2 ARG 20 -6.663 4.755 -4.481 170 HG3 ARG 20 HG1 ARG 20 -5.053 5.454 -4.607 171 HD2 ARG 20 HD2 ARG 20 -5.313 4.928 -7.178 172 HD3 ARG 20 HD1 ARG 20 -7.036 4.879 -6.814 173 HE ARG 20 HE ARG 20 -5.437 7.229 -7.140 174 HH11 ARG 20 HH21 ARG 20 -7.854 5.937 -5.034 175 HH12 ARG 20 HH22 ARG 20 -8.238 7.472 -4.337 176 HH21 ARG 20 HH11 ARG 20 -5.949 9.222 -6.255 177 HH22 ARG 20 HH12 ARG 20 -7.171 9.329 -5.031 178 H ASP 21 HN ASP 21 -6.373 0.795 -3.930 179 HA ASP 21 HA ASP 21 -8.832 1.818 -2.861 180 HB2 ASP 21 HB2 ASP 21 -8.831 0.074 -4.598 181 HB3 ASP 21 HB1 ASP 21 -8.021 -1.032 -3.490 182 H PHE 22 HN PHE 22 -6.504 -0.642 -1.719 183 HA PHE 22 HA PHE 22 -7.761 -1.015 0.788 184 HB2 PHE 22 HB2 PHE 22 -5.036 -1.564 -0.327 185 HB3 PHE 22 HB1 PHE 22 -5.211 -1.638 1.421 186 HD1 PHE 22 HD2 PHE 22 -7.585 -2.604 -1.322 187 HD2 PHE 22 HD1 PHE 22 -5.200 -3.942 1.997 188 HE1 PHE 22 HE2 PHE 22 -8.547 -4.868 -1.535 189 HE2 PHE 22 HE1 PHE 22 -6.169 -6.200 1.777 190 HZ PHE 22 HZ PHE 22 -7.844 -6.673 0.012 191 H ILE 23 HN ILE 23 -5.718 1.480 -0.439 192 HA ILE 23 HA ILE 23 -4.851 2.574 2.072 193 HB ILE 23 HB ILE 23 -4.993 3.457 -0.776 194 HG12 ILE 23 HG12 ILE 23 -2.883 3.769 1.398 195 HG13 ILE 23 HG11 ILE 23 -2.958 2.454 0.239 196 HG21 ILE 23 HG21 ILE 23 -6.039 5.409 0.114 197 HG22 ILE 23 HG22 ILE 23 -4.357 5.833 -0.141 198 HG23 ILE 23 HG23 ILE 23 -4.928 5.460 1.484 199 HD11 ILE 23 HD11 ILE 23 -2.849 4.356 -1.552 200 HD12 ILE 23 HD12 ILE 23 -1.375 3.888 -0.718 201 HD13 ILE 23 HD13 ILE 23 -2.248 5.335 -0.222 202 H GLU 24 HN GLU 24 -7.654 2.974 0.047 203 HA GLU 24 HA GLU 24 -8.891 5.037 1.580 204 HB2 GLU 24 HB2 GLU 24 -10.140 2.917 -0.186 205 HB3 GLU 24 HB1 GLU 24 -11.058 4.216 0.557 206 HG2 GLU 24 HG2 GLU 24 -8.655 4.704 -1.229 207 HG3 GLU 24 HG1 GLU 24 -10.312 4.671 -1.824 208 H LYS 25 HN LYS 25 -8.591 1.599 2.029 209 HA LYS 25 HA LYS 25 -10.701 1.359 4.019 210 HB2 LYS 25 HB2 LYS 25 -9.702 -0.555 2.645 211 HB3 LYS 25 HB1 LYS 25 -8.290 -0.453 3.690 212 HG2 LYS 25 HG2 LYS 25 -9.543 -2.101 4.801 213 HG3 LYS 25 HG1 LYS 25 -10.063 -0.654 5.657 214 HD2 LYS 25 HD2 LYS 25 -12.082 -0.530 4.247 215 HD3 LYS 25 HD1 LYS 25 -11.538 -1.930 3.326 216 HE2 LYS 25 HE2 LYS 25 -13.147 -2.673 4.984 217 HE3 LYS 25 HE1 LYS 25 -11.550 -3.259 5.450 218 HZ1 LYS 25 HZ1 LYS 25 -12.146 -0.649 6.481 219 HZ2 LYS 25 HZ2 LYS 25 -11.561 -2.026 7.286 220 HZ3 LYS 25 HZ3 LYS 25 -13.230 -1.833 7.029 221 H PHE 26 HN PHE 26 -7.122 1.642 4.213 222 HA PHE 26 HA PHE 26 -7.006 1.636 7.074 223 HB2 PHE 26 HB2 PHE 26 -5.118 3.285 5.366 224 HB3 PHE 26 HB1 PHE 26 -4.770 2.439 6.869 225 HD1 PHE 26 HD1 PHE 26 -6.114 -0.262 6.137 226 HD2 PHE 26 HD2 PHE 26 -3.436 2.320 3.960 227 HE1 PHE 26 HE1 PHE 26 -5.289 -2.197 4.847 228 HE2 PHE 26 HE2 PHE 26 -2.623 0.363 2.661 229 HZ PHE 26 HZ PHE 26 -3.545 -1.890 3.116 230 H11A DNS 27 H22 DNS 27 4.547 3.701 5.356 231 H12 DNS 27 H23 DNS 27 3.953 4.698 6.687 232 H13 DNS 27 H24 DNS 27 3.744 5.244 5.009 233 H21 DNS 27 H21 DNS 27 3.289 1.784 6.039 234 H22 DNS 27 H19 DNS 27 1.552 1.922 6.376 235 H23 DNS 27 H20 DNS 27 2.720 2.690 7.457 236 H4 DNS 27 H14 DNS 27 2.191 4.769 8.092 237 H5 DNS 27 H15 DNS 27 0.300 6.273 8.764 238 H6 DNS 27 H16 DNS 27 -1.496 6.852 7.117 239 HZ DNS 27 HZ1 DNS 27 -4.222 6.167 3.540 240 HE3 DNS 27 HE1 DNS 27 -4.289 8.984 4.017 241 HE2 DNS 27 HE2 DNS 27 -4.248 8.552 2.316 242 HD3 DNS 27 HD1 DNS 27 -6.559 8.737 3.327 243 HD2 DNS 27 HD2 DNS 27 -6.221 7.211 2.506 244 HG3 DNS 27 HG1 DNS 27 -5.767 6.111 4.624 245 HG2 DNS 27 HG2 DNS 27 -5.924 7.636 5.497 246 HB3 DNS 27 HB1 DNS 27 -8.272 7.793 4.916 247 HB2 DNS 27 HB2 DNS 27 -8.155 6.384 3.862 248 HA DNS 27 HA DNS 27 -7.600 6.319 6.846 249 H DNS 27 HN DNS 27 -7.369 4.294 4.739 250 H9 DNS 27 H9 DNS 27 -2.353 5.717 2.519 251 H10 DNS 27 H10 DNS 27 -0.473 4.220 1.857 252 H11 DNS 27 H11 DNS 27 1.321 3.640 3.503 253 H GLY 28 HN GLY 28 -9.818 7.799 5.911 254 HA2 GLY 28 HA2 GLY 28 -12.218 6.394 5.501 255 HA3 GLY 28 HA1 GLY 28 -11.977 6.451 7.248 256 H ARG 29 HN ARG 29 -11.141 8.830 7.902 257 HA ARG 29 HA ARG 29 -13.360 10.596 7.343 258 HB2 ARG 29 HB2 ARG 29 -10.696 11.082 8.712 259 HB3 ARG 29 HB1 ARG 29 -12.022 12.246 8.677 260 HG2 ARG 29 HG2 ARG 29 -13.476 10.737 9.880 261 HG3 ARG 29 HG1 ARG 29 -12.305 9.424 9.754 262 HD2 ARG 29 HD2 ARG 29 -12.322 10.582 11.995 263 HD3 ARG 29 HD1 ARG 29 -10.750 10.572 11.196 264 HE ARG 29 HE ARG 29 -11.907 12.962 10.377 265 HH11 ARG 29 HH21 ARG 29 -11.253 11.402 13.389 266 HH12 ARG 29 HH22 ARG 29 -11.031 12.884 14.256 267 HH21 ARG 29 HH11 ARG 29 -11.620 14.899 11.498 268 HH22 ARG 29 HH12 ARG 29 -11.239 14.862 13.187 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 12.117 2.424 -11.201 2 H2 GLY 1 HT2 GLY 1 11.421 2.854 -9.712 3 H3 GLY 1 HT3 GLY 1 10.488 2.064 -10.891 4 HA2 GLY 1 HA2 GLY 1 11.370 -0.033 -10.566 5 HA3 GLY 1 HA1 GLY 1 12.813 0.712 -9.817 6 H GLN 2 HN GLN 2 11.805 2.571 -8.095 7 HA GLN 2 HA GLN 2 12.748 0.981 -5.891 8 HB2 GLN 2 HB2 GLN 2 11.142 3.558 -5.828 9 HB3 GLN 2 HB1 GLN 2 12.084 2.890 -4.495 10 HG2 GLN 2 HG2 GLN 2 13.260 3.657 -7.184 11 HG3 GLN 2 HG1 GLN 2 13.282 4.700 -5.763 12 HE21 GLN 2 HE21 GLN 2 13.844 2.806 -3.732 13 HE22 GLN 2 HE22 GLN 2 15.386 2.148 -3.999 14 H GLN 3 HN GLN 3 11.562 -0.783 -5.274 15 HA GLN 3 HA GLN 3 8.684 -0.907 -5.494 16 HB2 GLN 3 HB2 GLN 3 8.891 -2.994 -4.167 17 HB3 GLN 3 HB1 GLN 3 9.987 -2.958 -5.548 18 HG2 GLN 3 HG2 GLN 3 11.804 -2.147 -4.024 19 HG3 GLN 3 HG1 GLN 3 10.702 -2.356 -2.662 20 HE21 GLN 3 HE21 GLN 3 9.946 -4.609 -2.210 21 HE22 GLN 3 HE22 GLN 3 10.888 -5.927 -2.716 22 H TYR 4 HN TYR 4 7.157 -0.853 -3.825 23 HA TYR 4 HA TYR 4 7.506 1.161 -1.880 24 HB2 TYR 4 HB2 TYR 4 5.311 -0.763 -1.348 25 HB3 TYR 4 HB1 TYR 4 5.206 0.961 -1.635 26 HD1 TYR 4 HD2 TYR 4 6.342 1.379 -4.254 27 HD2 TYR 4 HD1 TYR 4 3.878 -1.875 -2.889 28 HE1 TYR 4 HE2 TYR 4 5.611 0.949 -6.579 29 HE2 TYR 4 HE1 TYR 4 3.154 -2.295 -5.218 30 HH TYR 4 HH TYR 4 3.208 -1.572 -7.319 31 H THR 5 HN THR 5 8.595 1.010 0.060 32 HA THR 5 HA THR 5 8.846 -1.691 1.393 33 HB THR 5 HB THR 5 11.013 -1.070 2.125 34 HG1 THR 5 HG1 THR 5 11.732 1.139 1.680 35 HG21 THR 5 HG21 THR 5 10.904 0.257 -0.580 36 HG22 THR 5 HG22 THR 5 10.727 -1.490 -0.412 37 HG23 THR 5 HG23 THR 5 12.216 -0.698 0.105 38 H ALA 6 HN ALA 6 8.076 1.684 1.818 39 HA ALA 6 HA ALA 6 7.753 1.361 4.785 40 HB1 ALA 6 HB1 ALA 6 9.079 3.307 3.881 41 HB2 ALA 6 HB2 ALA 6 7.680 3.792 4.839 42 HB3 ALA 6 HB3 ALA 6 7.611 3.877 3.075 43 H1 NAL 7 H1 NAL 7 3.078 4.868 0.774 44 H3 NAL 7 H3 NAL 7 6.305 2.309 -0.436 45 H4 NAL 7 H4 NAL 7 7.465 4.218 -1.510 46 H5 NAL 7 H5 NAL 7 7.534 6.732 -2.094 47 H6 NAL 7 H6 NAL 7 6.478 8.971 -2.004 48 H7 NAL 7 H7 NAL 7 4.288 9.284 -0.879 49 H8 NAL 7 H8 NAL 7 3.129 7.356 0.167 50 H91 NAL 7 H91 NAL 7 2.845 2.473 0.571 51 H92 NAL 7 H92 NAL 7 4.294 1.468 0.519 52 H10 NAL 7 H10 NAL 7 3.729 3.560 2.655 53 HN1 NAL 7 HN1 NAL 7 6.166 2.697 1.963 54 H ILE 8 HN ILE 8 4.350 0.073 2.297 55 HA ILE 8 HA ILE 8 2.283 -0.461 4.352 56 HB ILE 8 HB ILE 8 1.403 -2.261 2.529 57 HG12 ILE 8 HG12 ILE 8 1.257 -1.232 0.298 58 HG13 ILE 8 HG11 ILE 8 2.228 0.133 0.828 59 HG21 ILE 8 HG21 ILE 8 0.564 0.663 2.475 60 HG22 ILE 8 HG22 ILE 8 0.018 -0.520 3.673 61 HG23 ILE 8 HG23 ILE 8 -0.415 -0.720 1.977 62 HD11 ILE 8 HD11 ILE 8 3.394 -1.689 -0.511 63 HD12 ILE 8 HD12 ILE 8 3.243 -2.708 0.901 64 HD13 ILE 8 HD13 ILE 8 4.185 -1.218 0.991 65 H LYS 9 HN LYS 9 3.306 -1.711 5.726 66 HA LYS 9 HA LYS 9 5.426 -3.557 4.856 67 HB2 LYS 9 HB2 LYS 9 4.616 -2.507 7.575 68 HB3 LYS 9 HB1 LYS 9 5.860 -3.737 7.349 69 HG2 LYS 9 HG2 LYS 9 7.302 -2.245 6.185 70 HG3 LYS 9 HG1 LYS 9 6.011 -1.088 5.876 71 HD2 LYS 9 HD2 LYS 9 7.544 -0.309 7.664 72 HD3 LYS 9 HD1 LYS 9 5.899 -0.525 8.257 73 HE2 LYS 9 HE2 LYS 9 6.461 -2.584 9.344 74 HE3 LYS 9 HE1 LYS 9 8.013 -2.682 8.510 75 HZ1 LYS 9 HZ1 LYS 9 8.917 -1.042 9.807 76 HZ2 LYS 9 HZ2 LYS 9 7.893 -1.804 10.929 77 HZ3 LYS 9 HZ3 LYS 9 7.419 -0.348 10.193 78 H GLY 10 HN GLY 10 5.382 -5.777 5.390 79 HA2 GLY 10 HA2 GLY 10 4.441 -7.856 5.943 80 HA3 GLY 10 HA1 GLY 10 3.235 -6.996 6.898 81 H ARG 11 HN ARG 11 2.624 -5.373 4.360 82 HA ARG 11 HA ARG 11 1.137 -7.438 2.770 83 HB2 ARG 11 HB2 ARG 11 0.002 -4.774 3.696 84 HB3 ARG 11 HB1 ARG 11 -0.836 -5.988 2.741 85 HG2 ARG 11 HG2 ARG 11 0.231 -6.501 5.535 86 HG3 ARG 11 HG1 ARG 11 -1.408 -5.966 5.224 87 HD2 ARG 11 HD2 ARG 11 -0.129 -8.574 4.385 88 HD3 ARG 11 HD1 ARG 11 -1.494 -8.358 5.463 89 HE ARG 11 HE ARG 11 -1.577 -8.614 2.593 90 HH11 ARG 11 HH21 ARG 11 -3.005 -6.807 5.168 91 HH12 ARG 11 HH22 ARG 11 -4.357 -6.295 4.217 92 HH21 ARG 11 HH11 ARG 11 -3.333 -7.966 1.365 93 HH22 ARG 11 HH12 ARG 11 -4.545 -6.953 2.073 94 H THR 12 HN THR 12 1.336 -7.060 0.583 95 HA THR 12 HA THR 12 2.087 -4.385 -0.372 96 HB THR 12 HB THR 12 3.685 -6.010 -1.984 97 HG1 THR 12 HG1 THR 12 3.164 -7.683 -0.383 98 HG21 THR 12 HG21 THR 12 5.589 -5.073 -0.782 99 HG22 THR 12 HG22 THR 12 4.563 -4.675 0.596 100 HG23 THR 12 HG23 THR 12 4.337 -3.839 -0.943 101 H PHE 13 HN PHE 13 1.780 -4.171 -2.717 102 HA PHE 13 HA PHE 13 -0.324 -6.045 -3.776 103 HB2 PHE 13 HB2 PHE 13 -0.154 -3.045 -4.176 104 HB3 PHE 13 HB1 PHE 13 -1.468 -4.114 -4.684 105 HD1 PHE 13 HD1 PHE 13 0.336 -2.751 -1.713 106 HD2 PHE 13 HD2 PHE 13 -3.174 -4.781 -3.132 107 HE1 PHE 13 HE1 PHE 13 -0.675 -2.611 0.545 108 HE2 PHE 13 HE2 PHE 13 -4.196 -4.584 -0.887 109 HZ PHE 13 HZ PHE 13 -2.935 -3.485 0.941 110 H ARG 14 HN ARG 14 0.043 -6.806 -5.791 111 HA ARG 14 HA ARG 14 2.550 -6.296 -7.126 112 HB2 ARG 14 HB2 ARG 14 1.170 -8.409 -7.417 113 HB3 ARG 14 HB1 ARG 14 0.030 -7.465 -8.377 114 HG2 ARG 14 HG2 ARG 14 1.887 -6.867 -9.928 115 HG3 ARG 14 HG1 ARG 14 2.970 -7.899 -9.001 116 HD2 ARG 14 HD2 ARG 14 1.078 -9.731 -9.446 117 HD3 ARG 14 HD1 ARG 14 0.699 -8.693 -10.818 118 HE ARG 14 HE ARG 14 2.854 -10.547 -10.670 119 HH11 ARG 14 HH21 ARG 14 2.267 -7.267 -11.584 120 HH12 ARG 14 HH22 ARG 14 3.739 -7.126 -12.480 121 HH21 ARG 14 HH11 ARG 14 4.750 -10.377 -11.852 122 HH22 ARG 14 HH12 ARG 14 5.136 -8.885 -12.641 123 H ASN 15 HN ASN 15 -0.769 -5.192 -7.589 124 HA ASN 15 HA ASN 15 0.151 -3.112 -9.549 125 HB2 ASN 15 HB2 ASN 15 -2.450 -2.841 -9.777 126 HB3 ASN 15 HB1 ASN 15 -1.656 -4.188 -10.596 127 HD21 ASN 15 HD21 ASN 15 -4.009 -5.049 -10.373 128 HD22 ASN 15 HD22 ASN 15 -4.362 -5.931 -8.967 129 H GLU 16 HN GLU 16 0.269 -1.071 -8.821 130 HA GLU 16 HA GLU 16 -0.312 -0.429 -6.112 131 HB2 GLU 16 HB2 GLU 16 1.300 0.888 -7.420 132 HB3 GLU 16 HB1 GLU 16 0.020 1.397 -8.519 133 HG2 GLU 16 HG2 GLU 16 -1.080 2.660 -6.783 134 HG3 GLU 16 HG1 GLU 16 -0.017 1.991 -5.546 135 H LYS 17 HN LYS 17 -2.270 -0.610 -8.929 136 HA LYS 17 HA LYS 17 -4.355 1.161 -8.374 137 HB2 LYS 17 HB2 LYS 17 -4.115 -0.285 -10.432 138 HB3 LYS 17 HB1 LYS 17 -4.676 -1.646 -9.466 139 HG2 LYS 17 HG2 LYS 17 -6.802 -0.537 -9.035 140 HG3 LYS 17 HG1 LYS 17 -6.239 0.931 -9.825 141 HD2 LYS 17 HD2 LYS 17 -7.599 -0.158 -11.454 142 HD3 LYS 17 HD1 LYS 17 -5.943 -0.482 -11.952 143 HE2 LYS 17 HE2 LYS 17 -6.041 -2.734 -11.130 144 HE3 LYS 17 HE1 LYS 17 -7.531 -2.422 -10.238 145 HZ1 LYS 17 HZ1 LYS 17 -8.364 -1.785 -12.626 146 HZ2 LYS 17 HZ2 LYS 17 -8.369 -3.396 -12.088 147 HZ3 LYS 17 HZ3 LYS 17 -7.126 -2.841 -13.103 148 H GLU 18 HN GLU 18 -3.910 -2.189 -7.250 149 HA GLU 18 HA GLU 18 -6.285 -2.239 -5.660 150 HB2 GLU 18 HB2 GLU 18 -3.763 -3.897 -5.542 151 HB3 GLU 18 HB1 GLU 18 -5.217 -4.240 -4.599 152 HG2 GLU 18 HG2 GLU 18 -6.525 -4.546 -6.615 153 HG3 GLU 18 HG1 GLU 18 -5.175 -4.022 -7.621 154 H LEU 19 HN LEU 19 -2.983 -1.195 -5.025 155 HA LEU 19 HA LEU 19 -3.341 -1.003 -2.166 156 HB2 LEU 19 HB2 LEU 19 -1.088 -1.061 -2.936 157 HB3 LEU 19 HB1 LEU 19 -1.377 0.206 -4.107 158 HG LEU 19 HG LEU 19 -1.598 1.843 -2.256 159 HD11 LEU 19 HD11 LEU 19 -0.828 -0.472 -0.497 160 HD12 LEU 19 HD12 LEU 19 -2.392 0.315 -0.478 161 HD13 LEU 19 HD13 LEU 19 -0.955 1.195 0.024 162 HD21 LEU 19 HD21 LEU 19 0.588 1.489 -3.288 163 HD22 LEU 19 HD22 LEU 19 0.911 0.166 -2.170 164 HD23 LEU 19 HD23 LEU 19 0.773 1.818 -1.566 165 H ARG 20 HN ARG 20 -3.928 1.122 -4.917 166 HA ARG 20 HA ARG 20 -4.422 3.537 -3.482 167 HB2 ARG 20 HB2 ARG 20 -4.205 3.357 -5.978 168 HB3 ARG 20 HB1 ARG 20 -5.793 2.593 -6.016 169 HG2 ARG 20 HG2 ARG 20 -6.795 4.604 -4.997 170 HG3 ARG 20 HG1 ARG 20 -5.206 5.369 -4.934 171 HD2 ARG 20 HD2 ARG 20 -5.040 5.180 -7.403 172 HD3 ARG 20 HD1 ARG 20 -6.661 4.486 -7.442 173 HE ARG 20 HE ARG 20 -6.996 6.879 -6.078 174 HH11 ARG 20 HH21 ARG 20 -5.639 5.898 -9.099 175 HH12 ARG 20 HH22 ARG 20 -6.027 7.381 -9.903 176 HH21 ARG 20 HH11 ARG 20 -7.507 8.816 -7.117 177 HH22 ARG 20 HH12 ARG 20 -7.084 9.033 -8.782 178 H ASP 21 HN ASP 21 -6.388 0.768 -4.231 179 HA ASP 21 HA ASP 21 -8.837 1.830 -3.178 180 HB2 ASP 21 HB2 ASP 21 -7.987 -1.003 -3.827 181 HB3 ASP 21 HB1 ASP 21 -9.618 -0.553 -3.328 182 H PHE 22 HN PHE 22 -6.519 -0.618 -1.984 183 HA PHE 22 HA PHE 22 -7.766 -0.916 0.538 184 HB2 PHE 22 HB2 PHE 22 -5.048 -1.507 -0.568 185 HB3 PHE 22 HB1 PHE 22 -5.215 -1.530 1.179 186 HD1 PHE 22 HD2 PHE 22 -7.605 -2.562 -1.523 187 HD2 PHE 22 HD1 PHE 22 -5.206 -3.819 1.819 188 HE1 PHE 22 HE2 PHE 22 -8.577 -4.829 -1.669 189 HE2 PHE 22 HE1 PHE 22 -6.183 -6.079 1.664 190 HZ PHE 22 HZ PHE 22 -7.871 -6.593 -0.078 191 H ILE 23 HN ILE 23 -5.724 1.543 -0.755 192 HA ILE 23 HA ILE 23 -4.844 2.696 1.728 193 HB ILE 23 HB ILE 23 -4.978 3.503 -1.142 194 HG12 ILE 23 HG12 ILE 23 -2.881 3.901 1.029 195 HG13 ILE 23 HG11 ILE 23 -2.948 2.539 -0.072 196 HG21 ILE 23 HG21 ILE 23 -4.926 5.567 1.061 197 HG22 ILE 23 HG22 ILE 23 -6.034 5.477 -0.313 198 HG23 ILE 23 HG23 ILE 23 -4.352 5.899 -0.572 199 HD11 ILE 23 HD11 ILE 23 -2.820 4.322 -1.953 200 HD12 ILE 23 HD12 ILE 23 -1.353 3.959 -1.056 201 HD13 ILE 23 HD13 ILE 23 -2.284 5.407 -0.678 202 H GLU 24 HN GLU 24 -7.648 3.059 -0.306 203 HA GLU 24 HA GLU 24 -8.869 5.179 1.153 204 HB2 GLU 24 HB2 GLU 24 -10.142 2.991 -0.510 205 HB3 GLU 24 HB1 GLU 24 -11.051 4.323 0.186 206 HG2 GLU 24 HG2 GLU 24 -8.662 4.726 -1.641 207 HG3 GLU 24 HG1 GLU 24 -10.325 4.676 -2.219 208 H LYS 25 HN LYS 25 -8.588 1.763 1.747 209 HA LYS 25 HA LYS 25 -10.682 1.636 3.771 210 HB2 LYS 25 HB2 LYS 25 -9.794 -0.353 2.478 211 HB3 LYS 25 HB1 LYS 25 -8.314 -0.234 3.426 212 HG2 LYS 25 HG2 LYS 25 -9.659 -0.490 5.510 213 HG3 LYS 25 HG1 LYS 25 -11.105 -0.702 4.522 214 HD2 LYS 25 HD2 LYS 25 -10.145 -2.686 3.474 215 HD3 LYS 25 HD1 LYS 25 -8.636 -2.453 4.359 216 HE2 LYS 25 HE2 LYS 25 -11.334 -2.903 5.668 217 HE3 LYS 25 HE1 LYS 25 -10.126 -4.162 5.416 218 HZ1 LYS 25 HZ1 LYS 25 -8.714 -2.173 6.588 219 HZ2 LYS 25 HZ2 LYS 25 -9.342 -3.533 7.387 220 HZ3 LYS 25 HZ3 LYS 25 -10.208 -2.071 7.383 221 H PHE 26 HN PHE 26 -7.091 1.855 3.905 222 HA PHE 26 HA PHE 26 -6.934 1.922 6.761 223 HB2 PHE 26 HB2 PHE 26 -5.032 3.482 4.988 224 HB3 PHE 26 HB1 PHE 26 -4.689 2.677 6.514 225 HD1 PHE 26 HD1 PHE 26 -6.077 -0.019 5.897 226 HD2 PHE 26 HD2 PHE 26 -3.400 2.442 3.586 227 HE1 PHE 26 HE1 PHE 26 -5.299 -2.011 4.668 228 HE2 PHE 26 HE2 PHE 26 -2.633 0.429 2.350 229 HZ PHE 26 HZ PHE 26 -3.579 -1.794 2.901 230 H11A DNS 27 H22 DNS 27 -1.228 1.619 5.326 231 H12 DNS 27 H23 DNS 27 -2.597 2.566 5.914 232 H13 DNS 27 H24 DNS 27 -1.562 1.694 7.066 233 H21 DNS 27 H21 DNS 27 0.871 2.205 6.904 234 H22 DNS 27 H19 DNS 27 1.344 3.874 6.535 235 H23 DNS 27 H20 DNS 27 0.994 2.750 5.218 236 H4 DNS 27 H14 DNS 27 -0.520 2.997 3.573 237 H5 DNS 27 H15 DNS 27 -1.007 4.727 1.826 238 H6 DNS 27 H16 DNS 27 -1.724 7.029 2.499 239 HZ DNS 27 HZ1 DNS 27 -3.969 7.652 4.076 240 HE3 DNS 27 HE1 DNS 27 -4.835 9.925 3.291 241 HE2 DNS 27 HE2 DNS 27 -4.493 9.255 1.703 242 HD3 DNS 27 HD1 DNS 27 -6.864 8.911 2.604 243 HD2 DNS 27 HD2 DNS 27 -6.041 7.466 2.012 244 HG3 DNS 27 HG1 DNS 27 -5.559 6.697 4.220 245 HG2 DNS 27 HG2 DNS 27 -5.945 8.261 4.938 246 HB3 DNS 27 HB1 DNS 27 -8.293 7.992 4.450 247 HB2 DNS 27 HB2 DNS 27 -7.985 6.538 3.499 248 HA DNS 27 HA DNS 27 -7.178 6.662 6.415 249 H DNS 27 HN DNS 27 -7.089 4.613 4.406 250 H9 DNS 27 H9 DNS 27 -2.490 9.229 6.719 251 H10 DNS 27 H10 DNS 27 -2.009 7.496 8.451 252 H11 DNS 27 H11 DNS 27 -1.291 5.198 7.772 253 H GLY 28 HN GLY 28 -8.702 6.299 8.001 254 HA2 GLY 28 HA2 GLY 28 -11.371 7.093 7.624 255 HA3 GLY 28 HA1 GLY 28 -11.364 5.331 7.519 256 H ARG 29 HN ARG 29 -9.422 7.519 9.533 257 HA ARG 29 HA ARG 29 -9.903 5.858 11.903 258 HB2 ARG 29 HB2 ARG 29 -8.491 8.529 11.608 259 HB3 ARG 29 HB1 ARG 29 -8.449 7.497 13.038 260 HG2 ARG 29 HG2 ARG 29 -7.414 5.693 11.717 261 HG3 ARG 29 HG1 ARG 29 -7.465 6.713 10.278 262 HD2 ARG 29 HD2 ARG 29 -5.234 6.804 11.293 263 HD3 ARG 29 HD1 ARG 29 -6.024 8.375 11.424 264 HE ARG 29 HE ARG 29 -6.681 7.105 13.801 265 HH11 ARG 29 HH21 ARG 29 -3.776 7.806 12.069 266 HH12 ARG 29 HH22 ARG 29 -2.804 7.943 13.497 267 HH21 ARG 29 HH11 ARG 29 -5.424 7.280 15.668 268 HH22 ARG 29 HH12 ARG 29 -3.736 7.645 15.531 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 8.435 1.998 -10.909 2 H2 GLY 1 HT2 GLY 1 9.606 2.733 -11.896 3 H3 GLY 1 HT3 GLY 1 9.413 3.239 -10.286 4 HA2 GLY 1 HA2 GLY 1 10.247 0.431 -11.131 5 HA3 GLY 1 HA1 GLY 1 11.320 1.734 -10.541 6 H GLN 2 HN GLN 2 10.163 3.120 -8.656 7 HA GLN 2 HA GLN 2 11.847 1.887 -6.674 8 HB2 GLN 2 HB2 GLN 2 11.223 4.344 -6.786 9 HB3 GLN 2 HB1 GLN 2 9.625 3.900 -6.190 10 HG2 GLN 2 HG2 GLN 2 10.929 4.570 -4.279 11 HG3 GLN 2 HG1 GLN 2 10.771 2.817 -4.200 12 HE21 GLN 2 HE21 GLN 2 12.724 1.874 -3.617 13 HE22 GLN 2 HE22 GLN 2 14.257 2.418 -4.100 14 H GLN 3 HN GLN 3 11.314 -0.079 -5.831 15 HA GLN 3 HA GLN 3 8.590 -1.030 -5.654 16 HB2 GLN 3 HB2 GLN 3 9.506 -2.987 -4.598 17 HB3 GLN 3 HB1 GLN 3 10.638 -2.503 -5.853 18 HG2 GLN 3 HG2 GLN 3 10.916 -2.009 -2.868 19 HG3 GLN 3 HG1 GLN 3 11.898 -3.074 -3.865 20 HE21 GLN 3 HE21 GLN 3 12.201 -0.227 -2.342 21 HE22 GLN 3 HE22 GLN 3 13.185 0.619 -3.437 22 H TYR 4 HN TYR 4 7.269 -1.204 -3.802 23 HA TYR 4 HA TYR 4 7.539 0.897 -1.894 24 HB2 TYR 4 HB2 TYR 4 5.585 -0.847 -0.845 25 HB3 TYR 4 HB1 TYR 4 5.275 0.522 -1.902 26 HD1 TYR 4 HD1 TYR 4 6.668 -2.963 -2.302 27 HD2 TYR 4 HD2 TYR 4 3.882 -0.015 -3.748 28 HE1 TYR 4 HE1 TYR 4 5.933 -4.521 -4.074 29 HE2 TYR 4 HE2 TYR 4 3.154 -1.588 -5.517 30 HH TYR 4 HH TYR 4 4.810 -4.644 -6.059 31 H THR 5 HN THR 5 8.734 0.902 -0.056 32 HA THR 5 HA THR 5 9.487 -1.732 1.220 33 HB THR 5 HB THR 5 11.583 -0.748 1.829 34 HG1 THR 5 HG1 THR 5 10.219 1.581 1.211 35 HG21 THR 5 HG21 THR 5 12.565 -0.276 -0.332 36 HG22 THR 5 HG22 THR 5 10.992 0.177 -0.985 37 HG23 THR 5 HG23 THR 5 11.317 -1.502 -0.557 38 H ALA 6 HN ALA 6 8.260 1.497 1.701 39 HA ALA 6 HA ALA 6 8.097 1.075 4.681 40 HB1 ALA 6 HB1 ALA 6 7.929 3.669 3.101 41 HB2 ALA 6 HB2 ALA 6 9.405 3.067 3.869 42 HB3 ALA 6 HB3 ALA 6 8.009 3.497 4.858 43 H1 NAL 7 H1 NAL 7 3.431 4.840 0.877 44 H3 NAL 7 H3 NAL 7 6.379 2.059 -0.537 45 H4 NAL 7 H4 NAL 7 7.570 3.872 -1.734 46 H5 NAL 7 H5 NAL 7 7.743 6.366 -2.382 47 H6 NAL 7 H6 NAL 7 6.835 8.668 -2.259 48 H7 NAL 7 H7 NAL 7 4.770 9.138 -0.963 49 H8 NAL 7 H8 NAL 7 3.589 7.304 0.221 50 H91 NAL 7 H91 NAL 7 3.044 2.440 0.710 51 H92 NAL 7 H92 NAL 7 4.440 1.365 0.619 52 H10 NAL 7 H10 NAL 7 4.046 3.522 2.728 53 HN1 NAL 7 HN1 NAL 7 6.449 2.738 2.049 54 H ILE 8 HN ILE 8 4.528 0.020 2.371 55 HA ILE 8 HA ILE 8 2.524 -0.438 4.512 56 HB ILE 8 HB ILE 8 1.513 -2.193 2.735 57 HG12 ILE 8 HG12 ILE 8 1.362 -1.198 0.486 58 HG13 ILE 8 HG11 ILE 8 2.411 0.125 0.969 59 HG21 ILE 8 HG21 ILE 8 0.241 -0.379 3.879 60 HG22 ILE 8 HG22 ILE 8 -0.239 -0.580 2.193 61 HG23 ILE 8 HG23 ILE 8 0.817 0.760 2.651 62 HD11 ILE 8 HD11 ILE 8 3.474 -1.760 -0.363 63 HD12 ILE 8 HD12 ILE 8 3.277 -2.767 1.058 64 HD13 ILE 8 HD13 ILE 8 4.298 -1.327 1.131 65 H LYS 9 HN LYS 9 3.670 -1.662 5.858 66 HA LYS 9 HA LYS 9 5.644 -3.589 4.865 67 HB2 LYS 9 HB2 LYS 9 6.185 -2.053 6.768 68 HB3 LYS 9 HB1 LYS 9 4.963 -2.888 7.728 69 HG2 LYS 9 HG2 LYS 9 6.165 -4.991 7.529 70 HG3 LYS 9 HG1 LYS 9 7.330 -4.262 6.423 71 HD2 LYS 9 HD2 LYS 9 7.988 -2.670 8.234 72 HD3 LYS 9 HD1 LYS 9 6.904 -3.525 9.332 73 HE2 LYS 9 HE2 LYS 9 9.235 -4.328 9.562 74 HE3 LYS 9 HE1 LYS 9 8.169 -5.607 8.982 75 HZ1 LYS 9 HZ1 LYS 9 10.476 -4.714 7.783 76 HZ2 LYS 9 HZ2 LYS 9 9.220 -4.092 6.822 77 HZ3 LYS 9 HZ3 LYS 9 9.323 -5.762 7.113 78 H GLY 10 HN GLY 10 5.411 -5.782 4.983 79 HA2 GLY 10 HA2 GLY 10 4.521 -7.874 5.602 80 HA3 GLY 10 HA1 GLY 10 3.409 -7.057 6.691 81 H ARG 11 HN ARG 11 2.594 -5.309 4.246 82 HA ARG 11 HA ARG 11 0.966 -7.361 2.755 83 HB2 ARG 11 HB2 ARG 11 -0.089 -4.740 3.863 84 HB3 ARG 11 HB1 ARG 11 -1.007 -5.939 2.953 85 HG2 ARG 11 HG2 ARG 11 -0.649 -7.592 4.733 86 HG3 ARG 11 HG1 ARG 11 0.314 -6.425 5.640 87 HD2 ARG 11 HD2 ARG 11 -1.620 -4.935 5.833 88 HD3 ARG 11 HD1 ARG 11 -2.591 -6.040 4.860 89 HE ARG 11 HE ARG 11 -1.696 -7.614 6.966 90 HH11 ARG 11 HH21 ARG 11 -3.363 -4.608 6.619 91 HH12 ARG 11 HH22 ARG 11 -4.256 -4.783 8.093 92 HH21 ARG 11 HH11 ARG 11 -2.854 -7.853 8.888 93 HH22 ARG 11 HH12 ARG 11 -3.967 -6.619 9.376 94 H THR 12 HN THR 12 2.107 -7.083 0.806 95 HA THR 12 HA THR 12 2.256 -4.354 -0.328 96 HB THR 12 HB THR 12 3.737 -5.931 -2.049 97 HG1 THR 12 HG1 THR 12 4.986 -7.236 -0.592 98 HG21 THR 12 HG21 THR 12 4.479 -3.805 -1.056 99 HG22 THR 12 HG22 THR 12 5.727 -5.042 -0.889 100 HG23 THR 12 HG23 THR 12 4.726 -4.605 0.496 101 H PHE 13 HN PHE 13 1.764 -4.125 -2.604 102 HA PHE 13 HA PHE 13 -0.420 -5.983 -3.514 103 HB2 PHE 13 HB2 PHE 13 -0.133 -2.998 -3.984 104 HB3 PHE 13 HB1 PHE 13 -1.494 -4.011 -4.477 105 HD1 PHE 13 HD1 PHE 13 0.368 -2.675 -1.519 106 HD2 PHE 13 HD2 PHE 13 -3.217 -4.604 -2.912 107 HE1 PHE 13 HE1 PHE 13 -0.653 -2.439 0.728 108 HE2 PHE 13 HE2 PHE 13 -4.234 -4.323 -0.675 109 HZ PHE 13 HZ PHE 13 -2.944 -3.230 1.135 110 H ARG 14 HN ARG 14 -0.135 -6.843 -5.522 111 HA ARG 14 HA ARG 14 2.325 -6.418 -6.972 112 HB2 ARG 14 HB2 ARG 14 0.856 -8.516 -7.121 113 HB3 ARG 14 HB1 ARG 14 -0.249 -7.573 -8.121 114 HG2 ARG 14 HG2 ARG 14 1.096 -8.624 -9.738 115 HG3 ARG 14 HG1 ARG 14 1.887 -7.062 -9.576 116 HD2 ARG 14 HD2 ARG 14 3.217 -8.508 -7.635 117 HD3 ARG 14 HD1 ARG 14 2.890 -9.769 -8.815 118 HE ARG 14 HE ARG 14 4.916 -7.803 -9.033 119 HH11 ARG 14 HH21 ARG 14 2.311 -9.055 -10.927 120 HH12 ARG 14 HH22 ARG 14 2.977 -8.509 -12.426 121 HH21 ARG 14 HH11 ARG 14 5.795 -7.113 -10.979 122 HH22 ARG 14 HH12 ARG 14 4.947 -7.420 -12.457 123 H ASN 15 HN ASN 15 -0.981 -5.270 -7.326 124 HA ASN 15 HA ASN 15 -0.116 -3.270 -9.393 125 HB2 ASN 15 HB2 ASN 15 -2.836 -3.032 -9.337 126 HB3 ASN 15 HB1 ASN 15 -2.002 -4.153 -10.415 127 HD21 ASN 15 HD21 ASN 15 -4.623 -4.120 -8.504 128 HD22 ASN 15 HD22 ASN 15 -4.608 -5.711 -7.911 129 H GLU 16 HN GLU 16 0.083 -1.208 -8.705 130 HA GLU 16 HA GLU 16 -0.395 -0.516 -5.976 131 HB2 GLU 16 HB2 GLU 16 0.001 1.236 -8.425 132 HB3 GLU 16 HB1 GLU 16 -0.055 1.859 -6.778 133 HG2 GLU 16 HG2 GLU 16 2.269 1.555 -7.372 134 HG3 GLU 16 HG1 GLU 16 1.845 0.309 -6.200 135 H LYS 17 HN LYS 17 -2.427 -0.618 -8.756 136 HA LYS 17 HA LYS 17 -4.399 1.262 -8.107 137 HB2 LYS 17 HB2 LYS 17 -4.274 -0.123 -10.210 138 HB3 LYS 17 HB1 LYS 17 -4.911 -1.482 -9.286 139 HG2 LYS 17 HG2 LYS 17 -6.908 -0.122 -8.694 140 HG3 LYS 17 HG1 LYS 17 -6.293 1.197 -9.685 141 HD2 LYS 17 HD2 LYS 17 -6.704 -1.567 -10.876 142 HD3 LYS 17 HD1 LYS 17 -8.051 -0.445 -10.738 143 HE2 LYS 17 HE2 LYS 17 -6.705 1.248 -12.023 144 HE3 LYS 17 HE1 LYS 17 -5.474 0.011 -12.276 145 HZ1 LYS 17 HZ1 LYS 17 -8.208 -0.732 -12.924 146 HZ2 LYS 17 HZ2 LYS 17 -6.755 -1.110 -13.721 147 HZ3 LYS 17 HZ3 LYS 17 -7.480 0.410 -13.945 148 H GLU 18 HN GLU 18 -4.051 -2.121 -7.049 149 HA GLU 18 HA GLU 18 -6.387 -2.169 -5.434 150 HB2 GLU 18 HB2 GLU 18 -5.118 -4.180 -6.223 151 HB3 GLU 18 HB1 GLU 18 -3.853 -3.773 -5.066 152 HG2 GLU 18 HG2 GLU 18 -5.512 -3.929 -3.227 153 HG3 GLU 18 HG1 GLU 18 -6.749 -4.370 -4.402 154 H LEU 19 HN LEU 19 -3.070 -1.156 -4.835 155 HA LEU 19 HA LEU 19 -3.379 -0.874 -1.982 156 HB2 LEU 19 HB2 LEU 19 -1.152 -0.988 -2.813 157 HB3 LEU 19 HB1 LEU 19 -1.455 0.246 -4.014 158 HG LEU 19 HG LEU 19 -1.628 1.924 -2.161 159 HD11 LEU 19 HD11 LEU 19 -0.812 1.321 0.063 160 HD12 LEU 19 HD12 LEU 19 -0.642 -0.348 -0.453 161 HD13 LEU 19 HD13 LEU 19 -2.239 0.370 -0.328 162 HD21 LEU 19 HD21 LEU 19 0.476 1.569 -3.386 163 HD22 LEU 19 HD22 LEU 19 0.929 0.325 -2.220 164 HD23 LEU 19 HD23 LEU 19 0.775 2.004 -1.702 165 H ARG 20 HN ARG 20 -3.973 1.213 -4.771 166 HA ARG 20 HA ARG 20 -4.434 3.654 -3.368 167 HB2 ARG 20 HB2 ARG 20 -4.239 3.406 -5.869 168 HB3 ARG 20 HB1 ARG 20 -5.852 2.696 -5.871 169 HG2 ARG 20 HG2 ARG 20 -6.746 4.774 -4.834 170 HG3 ARG 20 HG1 ARG 20 -5.132 5.483 -4.905 171 HD2 ARG 20 HD2 ARG 20 -6.664 4.467 -7.314 172 HD3 ARG 20 HD1 ARG 20 -6.581 6.161 -6.827 173 HE ARG 20 HE ARG 20 -3.921 5.383 -7.009 174 HH11 ARG 20 HH21 ARG 20 -6.695 5.311 -9.068 175 HH12 ARG 20 HH22 ARG 20 -5.776 5.467 -10.527 176 HH21 ARG 20 HH11 ARG 20 -2.714 5.585 -8.904 177 HH22 ARG 20 HH12 ARG 20 -3.524 5.623 -10.434 178 H ASP 21 HN ASP 21 -6.457 0.904 -4.066 179 HA ASP 21 HA ASP 21 -8.874 2.023 -2.999 180 HB2 ASP 21 HB2 ASP 21 -8.940 0.228 -4.681 181 HB3 ASP 21 HB1 ASP 21 -8.144 -0.865 -3.551 182 H PHE 22 HN PHE 22 -6.598 -0.463 -1.810 183 HA PHE 22 HA PHE 22 -7.826 -0.734 0.718 184 HB2 PHE 22 HB2 PHE 22 -5.125 -1.366 -0.412 185 HB3 PHE 22 HB1 PHE 22 -5.277 -1.385 1.339 186 HD1 PHE 22 HD1 PHE 22 -7.701 -2.389 -1.344 187 HD2 PHE 22 HD2 PHE 22 -5.304 -3.669 1.989 188 HE1 PHE 22 HE1 PHE 22 -8.708 -4.640 -1.478 189 HE2 PHE 22 HE2 PHE 22 -6.317 -5.913 1.849 190 HZ PHE 22 HZ PHE 22 -8.021 -6.410 0.117 191 H ILE 23 HN ILE 23 -5.755 1.684 -0.599 192 HA ILE 23 HA ILE 23 -4.850 2.837 1.877 193 HB ILE 23 HB ILE 23 -4.982 3.633 -1.000 194 HG12 ILE 23 HG12 ILE 23 -2.848 3.948 1.149 195 HG13 ILE 23 HG11 ILE 23 -2.975 2.592 0.037 196 HG21 ILE 23 HG21 ILE 23 -4.854 5.692 1.206 197 HG22 ILE 23 HG22 ILE 23 -5.963 5.641 -0.170 198 HG23 ILE 23 HG23 ILE 23 -4.268 6.010 -0.425 199 HD11 ILE 23 HD11 ILE 23 -1.303 4.094 -0.828 200 HD12 ILE 23 HD12 ILE 23 -2.388 5.475 -0.656 201 HD13 ILE 23 HD13 ILE 23 -2.725 4.234 -1.854 202 H GLU 24 HN GLU 24 -7.650 3.232 -0.158 203 HA GLU 24 HA GLU 24 -8.828 5.388 1.285 204 HB2 GLU 24 HB2 GLU 24 -10.152 3.213 -0.357 205 HB3 GLU 24 HB1 GLU 24 -11.021 4.578 0.325 206 HG2 GLU 24 HG2 GLU 24 -9.535 6.132 -0.909 207 HG3 GLU 24 HG1 GLU 24 -8.715 4.752 -1.637 208 H LYS 25 HN LYS 25 -8.606 1.973 1.903 209 HA LYS 25 HA LYS 25 -10.699 1.897 3.930 210 HB2 LYS 25 HB2 LYS 25 -9.865 -0.116 2.645 211 HB3 LYS 25 HB1 LYS 25 -8.373 -0.022 3.578 212 HG2 LYS 25 HG2 LYS 25 -9.692 -0.250 5.675 213 HG3 LYS 25 HG1 LYS 25 -11.162 -0.416 4.713 214 HD2 LYS 25 HD2 LYS 25 -10.234 -2.416 3.620 215 HD3 LYS 25 HD1 LYS 25 -8.752 -2.251 4.564 216 HE2 LYS 25 HE2 LYS 25 -9.976 -2.588 6.638 217 HE3 LYS 25 HE1 LYS 25 -11.512 -2.602 5.770 218 HZ1 LYS 25 HZ1 LYS 25 -9.395 -4.503 5.023 219 HZ2 LYS 25 HZ2 LYS 25 -11.079 -4.644 4.847 220 HZ3 LYS 25 HZ3 LYS 25 -10.365 -4.822 6.378 221 H PHE 26 HN PHE 26 -7.102 2.038 4.054 222 HA PHE 26 HA PHE 26 -6.927 2.108 6.906 223 HB2 PHE 26 HB2 PHE 26 -5.022 3.646 5.116 224 HB3 PHE 26 HB1 PHE 26 -4.674 2.848 6.644 225 HD1 PHE 26 HD1 PHE 26 -6.107 0.159 6.033 226 HD2 PHE 26 HD2 PHE 26 -3.388 2.581 3.728 227 HE1 PHE 26 HE1 PHE 26 -5.353 -1.845 4.807 228 HE2 PHE 26 HE2 PHE 26 -2.646 0.556 2.495 229 HZ PHE 26 HZ PHE 26 -3.624 -1.652 3.046 230 H11A DNS 27 H22 DNS 27 1.726 2.616 8.315 231 H12 DNS 27 H23 DNS 27 0.426 2.847 9.484 232 H13 DNS 27 H24 DNS 27 0.703 4.057 8.215 233 H21 DNS 27 H21 DNS 27 -1.563 2.401 9.198 234 H22 DNS 27 H19 DNS 27 -1.395 0.770 8.530 235 H23 DNS 27 H20 DNS 27 -2.336 1.980 7.653 236 H4 DNS 27 H14 DNS 27 0.436 1.465 5.111 237 H5 DNS 27 H15 DNS 27 -0.075 2.712 3.006 238 H6 DNS 27 H16 DNS 27 -1.290 4.889 3.088 239 HZ DNS 27 HZ1 DNS 27 -2.508 8.782 4.973 240 HE3 DNS 27 HE1 DNS 27 -4.151 10.020 4.018 241 HE2 DNS 27 HE2 DNS 27 -3.506 9.136 2.644 242 HD3 DNS 27 HD1 DNS 27 -6.098 9.127 3.072 243 HD2 DNS 27 HD2 DNS 27 -5.307 7.619 2.609 244 HG3 DNS 27 HG1 DNS 27 -5.287 6.809 4.859 245 HG2 DNS 27 HG2 DNS 27 -5.702 8.393 5.516 246 HB3 DNS 27 HB1 DNS 27 -7.931 8.282 4.631 247 HB2 DNS 27 HB2 DNS 27 -7.548 6.859 3.660 248 HA DNS 27 HA DNS 27 -7.305 6.798 6.681 249 H DNS 27 HN DNS 27 -7.072 4.797 4.555 250 H9 DNS 27 H9 DNS 27 -3.101 7.639 6.572 251 H10 DNS 27 H10 DNS 27 -2.608 6.427 8.691 252 H11 DNS 27 H11 DNS 27 -1.393 4.255 8.651 253 H GLY 28 HN GLY 28 -9.299 4.570 6.568 254 HA2 GLY 28 HA2 GLY 28 -11.640 6.103 7.183 255 HA3 GLY 28 HA1 GLY 28 -11.811 5.386 5.580 256 H ARG 29 HN ARG 29 -10.323 4.159 8.576 257 HA ARG 29 HA ARG 29 -11.332 1.501 8.169 258 HB2 ARG 29 HB2 ARG 29 -10.513 1.040 10.427 259 HB3 ARG 29 HB1 ARG 29 -9.330 2.015 9.556 260 HG2 ARG 29 HG2 ARG 29 -10.377 4.064 10.649 261 HG3 ARG 29 HG1 ARG 29 -11.303 2.959 11.661 262 HD2 ARG 29 HD2 ARG 29 -9.232 1.970 12.522 263 HD3 ARG 29 HD1 ARG 29 -8.277 3.017 11.473 264 HE ARG 29 HE ARG 29 -9.833 4.784 12.947 265 HH11 ARG 29 HH21 ARG 29 -7.659 2.189 13.637 266 HH12 ARG 29 HH22 ARG 29 -7.128 2.863 15.142 267 HH21 ARG 29 HH11 ARG 29 -9.146 5.671 14.906 268 HH22 ARG 29 HH12 ARG 29 -7.968 4.832 15.859 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 11.755 -0.098 -11.056 2 H2 GLY 1 HT2 GLY 1 13.143 -0.103 -10.076 3 H3 GLY 1 HT3 GLY 1 12.994 1.028 -11.335 4 HA2 GLY 1 HA2 GLY 1 12.045 2.554 -10.030 5 HA3 GLY 1 HA1 GLY 1 10.848 1.305 -9.573 6 H GLN 2 HN GLN 2 11.744 3.115 -7.717 7 HA GLN 2 HA GLN 2 12.576 1.314 -5.627 8 HB2 GLN 2 HB2 GLN 2 12.781 3.844 -5.593 9 HB3 GLN 2 HB1 GLN 2 11.045 3.916 -5.303 10 HG2 GLN 2 HG2 GLN 2 12.121 4.043 -3.153 11 HG3 GLN 2 HG1 GLN 2 11.419 2.432 -3.276 12 HE21 GLN 2 HE21 GLN 2 14.508 4.216 -3.519 13 HE22 GLN 2 HE22 GLN 2 15.497 2.861 -3.262 14 H GLN 3 HN GLN 3 11.298 -0.424 -5.138 15 HA GLN 3 HA GLN 3 8.426 -0.420 -5.461 16 HB2 GLN 3 HB2 GLN 3 10.104 -2.315 -3.790 17 HB3 GLN 3 HB1 GLN 3 8.487 -2.613 -4.434 18 HG2 GLN 3 HG2 GLN 3 9.393 -2.374 -6.740 19 HG3 GLN 3 HG1 GLN 3 11.010 -2.181 -6.061 20 HE21 GLN 3 HE21 GLN 3 11.642 -4.215 -7.197 21 HE22 GLN 3 HE22 GLN 3 11.188 -5.716 -6.550 22 H TYR 4 HN TYR 4 6.840 -0.324 -3.830 23 HA TYR 4 HA TYR 4 7.341 1.490 -1.702 24 HB2 TYR 4 HB2 TYR 4 4.872 0.077 -1.186 25 HB3 TYR 4 HB1 TYR 4 5.057 1.675 -1.877 26 HD1 TYR 4 HD2 TYR 4 5.763 1.770 -4.403 27 HD2 TYR 4 HD1 TYR 4 3.857 -1.608 -2.550 28 HE1 TYR 4 HE2 TYR 4 5.010 0.972 -6.624 29 HE2 TYR 4 HE1 TYR 4 3.112 -2.399 -4.770 30 HH TYR 4 HH TYR 4 3.064 -2.000 -6.946 31 H THR 5 HN THR 5 8.374 1.016 0.209 32 HA THR 5 HA THR 5 8.190 -1.792 1.317 33 HB THR 5 HB THR 5 10.426 -1.610 2.056 34 HG1 THR 5 HG1 THR 5 11.138 0.852 1.406 35 HG21 THR 5 HG21 THR 5 10.576 0.048 -0.454 36 HG22 THR 5 HG22 THR 5 10.090 -1.647 -0.520 37 HG23 THR 5 HG23 THR 5 11.688 -1.206 0.085 38 H ALA 6 HN ALA 6 8.009 1.623 2.027 39 HA ALA 6 HA ALA 6 7.718 1.175 4.956 40 HB1 ALA 6 HB1 ALA 6 7.708 3.607 5.099 41 HB2 ALA 6 HB2 ALA 6 7.534 3.756 3.347 42 HB3 ALA 6 HB3 ALA 6 9.034 3.125 4.042 43 H1 NAL 7 H1 NAL 7 2.894 4.905 1.342 44 H3 NAL 7 H3 NAL 7 6.094 2.440 -0.095 45 H4 NAL 7 H4 NAL 7 7.256 4.427 -1.024 46 H5 NAL 7 H5 NAL 7 7.313 6.975 -1.441 47 H6 NAL 7 H6 NAL 7 6.249 9.198 -1.196 48 H7 NAL 7 H7 NAL 7 4.070 9.429 -0.030 49 H8 NAL 7 H8 NAL 7 2.929 7.432 0.900 50 H91 NAL 7 H91 NAL 7 2.667 2.541 1.015 51 H92 NAL 7 H92 NAL 7 4.116 1.545 0.851 52 H10 NAL 7 H10 NAL 7 3.625 3.492 3.139 53 HN1 NAL 7 HN1 NAL 7 6.020 2.621 2.273 54 H ILE 8 HN ILE 8 4.305 0.045 2.633 55 HA ILE 8 HA ILE 8 2.202 -0.620 4.630 56 HB ILE 8 HB ILE 8 1.426 -2.377 2.743 57 HG12 ILE 8 HG12 ILE 8 1.372 -1.339 0.516 58 HG13 ILE 8 HG11 ILE 8 2.281 0.048 1.099 59 HG21 ILE 8 HG21 ILE 8 0.550 0.530 2.689 60 HG22 ILE 8 HG22 ILE 8 -0.034 -0.679 3.842 61 HG23 ILE 8 HG23 ILE 8 -0.384 -0.855 2.122 62 HD11 ILE 8 HD11 ILE 8 3.329 -2.795 1.120 63 HD12 ILE 8 HD12 ILE 8 4.251 -1.319 1.426 64 HD13 ILE 8 HD13 ILE 8 3.624 -1.654 -0.177 65 H LYS 9 HN LYS 9 3.539 -1.659 6.017 66 HA LYS 9 HA LYS 9 5.626 -3.449 5.080 67 HB2 LYS 9 HB2 LYS 9 5.877 -1.978 7.104 68 HB3 LYS 9 HB1 LYS 9 4.693 -3.000 7.922 69 HG2 LYS 9 HG2 LYS 9 6.136 -4.960 7.633 70 HG3 LYS 9 HG1 LYS 9 7.287 -4.004 6.708 71 HD2 LYS 9 HD2 LYS 9 8.262 -4.024 8.861 72 HD3 LYS 9 HD1 LYS 9 7.415 -2.482 8.840 73 HE2 LYS 9 HE2 LYS 9 7.034 -3.732 10.951 74 HE3 LYS 9 HE1 LYS 9 5.531 -3.480 10.072 75 HZ1 LYS 9 HZ1 LYS 9 5.393 -5.670 9.491 76 HZ2 LYS 9 HZ2 LYS 9 6.164 -5.820 10.997 77 HZ3 LYS 9 HZ3 LYS 9 7.069 -5.924 9.563 78 H GLY 10 HN GLY 10 5.457 -5.622 4.855 79 HA2 GLY 10 HA2 GLY 10 4.754 -7.829 5.352 80 HA3 GLY 10 HA1 GLY 10 3.532 -7.187 6.441 81 H ARG 11 HN ARG 11 2.667 -5.355 4.045 82 HA ARG 11 HA ARG 11 1.275 -7.466 2.402 83 HB2 ARG 11 HB2 ARG 11 -0.035 -4.993 3.574 84 HB3 ARG 11 HB1 ARG 11 -0.816 -6.228 2.586 85 HG2 ARG 11 HG2 ARG 11 -0.362 -7.920 4.309 86 HG3 ARG 11 HG1 ARG 11 0.462 -6.711 5.294 87 HD2 ARG 11 HD2 ARG 11 -2.453 -6.631 4.461 88 HD3 ARG 11 HD1 ARG 11 -1.851 -7.018 6.073 89 HE ARG 11 HE ARG 11 -0.755 -4.526 5.534 90 HH11 ARG 11 HH21 ARG 11 -3.915 -5.921 5.516 91 HH12 ARG 11 HH22 ARG 11 -4.711 -4.443 5.939 92 HH21 ARG 11 HH11 ARG 11 -1.782 -2.593 6.085 93 HH22 ARG 11 HH12 ARG 11 -3.505 -2.561 6.260 94 H THR 12 HN THR 12 2.459 -7.023 0.519 95 HA THR 12 HA THR 12 2.428 -4.256 -0.525 96 HB THR 12 HB THR 12 3.999 -5.748 -2.285 97 HG1 THR 12 HG1 THR 12 4.388 -7.508 -1.224 98 HG21 THR 12 HG21 THR 12 4.942 -4.327 0.226 99 HG22 THR 12 HG22 THR 12 4.572 -3.540 -1.309 100 HG23 THR 12 HG23 THR 12 5.918 -4.676 -1.200 101 H PHE 13 HN PHE 13 1.920 -4.006 -2.823 102 HA PHE 13 HA PHE 13 -0.171 -5.963 -3.753 103 HB2 PHE 13 HB2 PHE 13 -0.019 -2.963 -4.157 104 HB3 PHE 13 HB1 PHE 13 -1.319 -4.023 -4.712 105 HD1 PHE 13 HD1 PHE 13 0.436 -2.742 -1.671 106 HD2 PHE 13 HD2 PHE 13 -3.047 -4.730 -3.207 107 HE1 PHE 13 HE1 PHE 13 -0.625 -2.646 0.567 108 HE2 PHE 13 HE2 PHE 13 -4.114 -4.586 -0.982 109 HZ PHE 13 HZ PHE 13 -2.892 -3.531 0.897 110 H ARG 14 HN ARG 14 0.097 -6.782 -5.766 111 HA ARG 14 HA ARG 14 2.532 -6.320 -7.233 112 HB2 ARG 14 HB2 ARG 14 1.178 -8.417 -7.475 113 HB3 ARG 14 HB1 ARG 14 -0.083 -7.483 -8.282 114 HG2 ARG 14 HG2 ARG 14 1.437 -6.900 -10.091 115 HG3 ARG 14 HG1 ARG 14 2.784 -7.682 -9.259 116 HD2 ARG 14 HD2 ARG 14 1.561 -9.848 -9.380 117 HD3 ARG 14 HD1 ARG 14 0.284 -9.050 -10.296 118 HE ARG 14 HE ARG 14 2.597 -8.470 -11.723 119 HH11 ARG 14 HH21 ARG 14 1.029 -11.312 -10.540 120 HH12 ARG 14 HH22 ARG 14 1.610 -12.323 -11.821 121 HH21 ARG 14 HH11 ARG 14 3.361 -9.779 -13.397 122 HH22 ARG 14 HH12 ARG 14 2.929 -11.456 -13.437 123 H ASN 15 HN ASN 15 -0.797 -5.199 -7.604 124 HA ASN 15 HA ASN 15 0.098 -3.111 -9.571 125 HB2 ASN 15 HB2 ASN 15 -2.540 -2.867 -9.747 126 HB3 ASN 15 HB1 ASN 15 -1.701 -4.123 -10.660 127 HD21 ASN 15 HD21 ASN 15 -3.952 -5.142 -10.525 128 HD22 ASN 15 HD22 ASN 15 -4.293 -6.109 -9.173 129 H GLU 16 HN GLU 16 0.205 -1.075 -8.842 130 HA GLU 16 HA GLU 16 -0.354 -0.442 -6.130 131 HB2 GLU 16 HB2 GLU 16 1.233 0.912 -7.374 132 HB3 GLU 16 HB1 GLU 16 0.008 1.331 -8.570 133 HG2 GLU 16 HG2 GLU 16 -1.205 2.677 -6.991 134 HG3 GLU 16 HG1 GLU 16 -0.249 2.072 -5.641 135 H LYS 17 HN LYS 17 -2.338 -0.642 -8.923 136 HA LYS 17 HA LYS 17 -4.443 1.098 -8.355 137 HB2 LYS 17 HB2 LYS 17 -4.183 -0.371 -10.408 138 HB3 LYS 17 HB1 LYS 17 -4.752 -1.718 -9.430 139 HG2 LYS 17 HG2 LYS 17 -6.880 -0.611 -9.027 140 HG3 LYS 17 HG1 LYS 17 -6.312 0.857 -9.811 141 HD2 LYS 17 HD2 LYS 17 -7.661 -0.235 -11.448 142 HD3 LYS 17 HD1 LYS 17 -6.001 -0.549 -11.938 143 HE2 LYS 17 HE2 LYS 17 -6.090 -2.803 -11.119 144 HE3 LYS 17 HE1 LYS 17 -7.590 -2.500 -10.240 145 HZ1 LYS 17 HZ1 LYS 17 -7.488 -3.590 -12.662 146 HZ2 LYS 17 HZ2 LYS 17 -7.665 -1.955 -13.085 147 HZ3 LYS 17 HZ3 LYS 17 -8.817 -2.706 -12.087 148 H GLU 18 HN GLU 18 -3.960 -2.251 -7.234 149 HA GLU 18 HA GLU 18 -6.320 -2.312 -5.624 150 HB2 GLU 18 HB2 GLU 18 -3.794 -3.965 -5.562 151 HB3 GLU 18 HB1 GLU 18 -5.206 -4.309 -4.559 152 HG2 GLU 18 HG2 GLU 18 -5.314 -4.103 -7.583 153 HG3 GLU 18 HG1 GLU 18 -5.096 -5.625 -6.719 154 H LEU 19 HN LEU 19 -3.043 -1.208 -5.035 155 HA LEU 19 HA LEU 19 -3.338 -1.052 -2.159 156 HB2 LEU 19 HB2 LEU 19 -1.113 -1.117 -3.002 157 HB3 LEU 19 HB1 LEU 19 -1.432 0.168 -4.144 158 HG LEU 19 HG LEU 19 -1.616 1.760 -2.216 159 HD11 LEU 19 HD11 LEU 19 -0.560 -0.548 -0.600 160 HD12 LEU 19 HD12 LEU 19 -2.191 0.083 -0.455 161 HD13 LEU 19 HD13 LEU 19 -0.817 1.087 -0.020 162 HD21 LEU 19 HD21 LEU 19 0.803 1.805 -1.726 163 HD22 LEU 19 HD22 LEU 19 0.483 1.539 -3.438 164 HD23 LEU 19 HD23 LEU 19 0.950 0.186 -2.411 165 H ARG 20 HN ARG 20 -3.957 1.118 -4.875 166 HA ARG 20 HA ARG 20 -4.434 3.518 -3.413 167 HB2 ARG 20 HB2 ARG 20 -4.249 3.299 -5.917 168 HB3 ARG 20 HB1 ARG 20 -5.853 2.582 -5.929 169 HG2 ARG 20 HG2 ARG 20 -5.298 5.320 -4.729 170 HG3 ARG 20 HG1 ARG 20 -5.705 5.106 -6.425 171 HD2 ARG 20 HD2 ARG 20 -7.755 3.685 -5.195 172 HD3 ARG 20 HD1 ARG 20 -7.490 4.992 -4.050 173 HE ARG 20 HE ARG 20 -8.873 5.215 -6.505 174 HH11 ARG 20 HH21 ARG 20 -6.280 6.791 -4.853 175 HH12 ARG 20 HH22 ARG 20 -6.456 8.269 -5.732 176 HH21 ARG 20 HH11 ARG 20 -9.115 7.136 -7.637 177 HH22 ARG 20 HH12 ARG 20 -8.061 8.468 -7.300 178 H ASP 21 HN ASP 21 -6.447 0.781 -4.189 179 HA ASP 21 HA ASP 21 -8.855 1.838 -3.039 180 HB2 ASP 21 HB2 ASP 21 -8.071 -0.979 -3.819 181 HB3 ASP 21 HB1 ASP 21 -9.683 -0.520 -3.271 182 H PHE 22 HN PHE 22 -6.564 -0.699 -1.985 183 HA PHE 22 HA PHE 22 -7.775 -1.087 0.537 184 HB2 PHE 22 HB2 PHE 22 -5.082 -1.652 -0.637 185 HB3 PHE 22 HB1 PHE 22 -5.213 -1.739 1.110 186 HD1 PHE 22 HD2 PHE 22 -7.663 -2.653 -1.576 187 HD2 PHE 22 HD1 PHE 22 -5.207 -4.050 1.666 188 HE1 PHE 22 HE2 PHE 22 -8.654 -4.906 -1.790 189 HE2 PHE 22 HE1 PHE 22 -6.204 -6.297 1.446 190 HZ PHE 22 HZ PHE 22 -7.929 -6.735 -0.280 191 H ILE 23 HN ILE 23 -5.722 1.402 -0.675 192 HA ILE 23 HA ILE 23 -4.824 2.446 1.852 193 HB ILE 23 HB ILE 23 -4.970 3.388 -0.985 194 HG12 ILE 23 HG12 ILE 23 -2.801 3.603 1.141 195 HG13 ILE 23 HG11 ILE 23 -2.966 2.266 0.014 196 HG21 ILE 23 HG21 ILE 23 -4.203 5.721 -0.247 197 HG22 ILE 23 HG22 ILE 23 -4.828 5.300 1.346 198 HG23 ILE 23 HG23 ILE 23 -5.911 5.357 -0.048 199 HD11 ILE 23 HD11 ILE 23 -2.430 5.156 -0.706 200 HD12 ILE 23 HD12 ILE 23 -2.688 3.865 -1.870 201 HD13 ILE 23 HD13 ILE 23 -1.282 3.823 -0.814 202 H GLU 24 HN GLU 24 -7.629 2.920 -0.171 203 HA GLU 24 HA GLU 24 -8.802 5.030 1.330 204 HB2 GLU 24 HB2 GLU 24 -10.136 2.876 -0.330 205 HB3 GLU 24 HB1 GLU 24 -11.013 4.212 0.395 206 HG2 GLU 24 HG2 GLU 24 -8.653 4.602 -1.474 207 HG3 GLU 24 HG1 GLU 24 -10.328 4.579 -2.019 208 H LYS 25 HN LYS 25 -8.548 1.615 1.883 209 HA LYS 25 HA LYS 25 -10.596 1.497 3.960 210 HB2 LYS 25 HB2 LYS 25 -9.746 -0.474 2.566 211 HB3 LYS 25 HB1 LYS 25 -8.290 -0.430 3.551 212 HG2 LYS 25 HG2 LYS 25 -9.571 -2.000 4.737 213 HG3 LYS 25 HG1 LYS 25 -9.997 -0.521 5.590 214 HD2 LYS 25 HD2 LYS 25 -12.057 -0.326 4.243 215 HD3 LYS 25 HD1 LYS 25 -11.610 -1.768 3.336 216 HE2 LYS 25 HE2 LYS 25 -13.191 -2.405 5.061 217 HE3 LYS 25 HE1 LYS 25 -11.608 -3.050 5.490 218 HZ1 LYS 25 HZ1 LYS 25 -13.222 -1.280 6.949 219 HZ2 LYS 25 HZ2 LYS 25 -11.789 -0.469 6.529 220 HZ3 LYS 25 HZ3 LYS 25 -11.720 -1.937 7.383 221 H PHE 26 HN PHE 26 -6.998 1.620 3.998 222 HA PHE 26 HA PHE 26 -6.821 1.646 6.868 223 HB2 PHE 26 HB2 PHE 26 -4.784 3.035 5.103 224 HB3 PHE 26 HB1 PHE 26 -4.519 2.181 6.615 225 HD1 PHE 26 HD1 PHE 26 -6.034 -0.384 6.087 226 HD2 PHE 26 HD2 PHE 26 -3.374 1.889 3.572 227 HE1 PHE 26 HE1 PHE 26 -5.450 -2.435 4.841 228 HE2 PHE 26 HE2 PHE 26 -2.803 -0.178 2.321 229 HZ PHE 26 HZ PHE 26 -3.836 -2.338 2.966 230 H11A DNS 27 H22 DNS 27 0.581 4.601 8.773 231 H12 DNS 27 H23 DNS 27 1.954 3.623 9.304 232 H13 DNS 27 H24 DNS 27 0.580 2.851 8.484 233 H21 DNS 27 H21 DNS 27 3.371 3.050 6.033 234 H22 DNS 27 H19 DNS 27 2.340 1.919 6.929 235 H23 DNS 27 H20 DNS 27 3.575 2.848 7.785 236 H4 DNS 27 H14 DNS 27 0.131 2.018 6.461 237 H5 DNS 27 H15 DNS 27 -1.493 2.263 4.574 238 H6 DNS 27 H16 DNS 27 -1.599 4.398 3.268 239 HZ DNS 27 HZ1 DNS 27 -2.085 6.188 4.277 240 HE3 DNS 27 HE1 DNS 27 -2.827 8.213 4.746 241 HE2 DNS 27 HE2 DNS 27 -2.693 8.688 3.064 242 HD3 DNS 27 HD1 DNS 27 -5.007 8.802 3.700 243 HD2 DNS 27 HD2 DNS 27 -4.812 7.442 2.593 244 HG3 DNS 27 HG1 DNS 27 -4.811 5.867 4.437 245 HG2 DNS 27 HG2 DNS 27 -4.806 7.177 5.617 246 HB3 DNS 27 HB1 DNS 27 -7.008 7.940 4.732 247 HB2 DNS 27 HB2 DNS 27 -7.024 6.556 3.638 248 HA DNS 27 HA DNS 27 -6.807 6.333 6.655 249 H DNS 27 HN DNS 27 -6.708 4.339 4.506 250 H9 DNS 27 H9 DNS 27 0.772 8.591 3.462 251 H10 DNS 27 H10 DNS 27 2.388 8.335 5.347 252 H11 DNS 27 H11 DNS 27 2.486 6.199 6.646 253 H GLY 28 HN GLY 28 -8.646 7.048 7.588 254 HA2 GLY 28 HA2 GLY 28 -11.051 7.690 6.255 255 HA3 GLY 28 HA1 GLY 28 -11.233 6.049 6.876 256 H ARG 29 HN ARG 29 -9.718 9.023 8.168 257 HA ARG 29 HA ARG 29 -10.516 8.436 10.872 258 HB2 ARG 29 HB2 ARG 29 -9.696 11.077 9.621 259 HB3 ARG 29 HB1 ARG 29 -9.780 10.747 11.352 260 HG2 ARG 29 HG2 ARG 29 -8.100 8.944 11.075 261 HG3 ARG 29 HG1 ARG 29 -7.989 9.330 9.357 262 HD2 ARG 29 HD2 ARG 29 -7.300 11.165 11.668 263 HD3 ARG 29 HD1 ARG 29 -6.168 10.443 10.525 264 HE ARG 29 HE ARG 29 -7.933 11.860 8.915 265 HH11 ARG 29 HH21 ARG 29 -5.937 12.547 11.650 266 HH12 ARG 29 HH22 ARG 29 -5.663 14.196 11.198 267 HH21 ARG 29 HH11 ARG 29 -7.581 14.007 8.317 268 HH22 ARG 29 HH12 ARG 29 -6.592 15.022 9.313 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 11.291 0.608 -12.148 2 H2 GLY 1 HT2 GLY 1 10.340 -0.640 -11.500 3 H3 GLY 1 HT3 GLY 1 11.890 -0.340 -10.875 4 HA2 GLY 1 HA2 GLY 1 10.605 2.151 -10.695 5 HA3 GLY 1 HA1 GLY 1 9.506 0.877 -10.089 6 H GLN 2 HN GLN 2 10.547 2.750 -8.374 7 HA GLN 2 HA GLN 2 11.627 0.981 -6.351 8 HB2 GLN 2 HB2 GLN 2 11.914 3.474 -6.357 9 HB3 GLN 2 HB1 GLN 2 10.201 3.633 -5.971 10 HG2 GLN 2 HG2 GLN 2 10.510 2.408 -3.888 11 HG3 GLN 2 HG1 GLN 2 12.198 2.089 -4.291 12 HE21 GLN 2 HE21 GLN 2 10.331 5.148 -4.641 13 HE22 GLN 2 HE22 GLN 2 11.353 6.061 -3.638 14 H GLN 3 HN GLN 3 10.348 -0.750 -5.773 15 HA GLN 3 HA GLN 3 7.460 -0.622 -5.684 16 HB2 GLN 3 HB2 GLN 3 9.282 -2.640 -4.336 17 HB3 GLN 3 HB1 GLN 3 7.558 -2.829 -4.662 18 HG2 GLN 3 HG2 GLN 3 8.673 -4.012 -6.418 19 HG3 GLN 3 HG1 GLN 3 8.122 -2.502 -7.141 20 HE21 GLN 3 HE21 GLN 3 10.001 -3.122 -8.707 21 HE22 GLN 3 HE22 GLN 3 11.550 -2.562 -8.297 22 H TYR 4 HN TYR 4 6.128 -0.546 -3.844 23 HA TYR 4 HA TYR 4 6.902 1.243 -1.800 24 HB2 TYR 4 HB2 TYR 4 4.578 -0.621 -1.371 25 HB3 TYR 4 HB1 TYR 4 4.654 1.114 -1.132 26 HD1 TYR 4 HD2 TYR 4 4.550 2.664 -3.093 27 HD2 TYR 4 HD1 TYR 4 3.973 -1.574 -3.507 28 HE1 TYR 4 HE2 TYR 4 3.580 3.012 -5.348 29 HE2 TYR 4 HE1 TYR 4 3.022 -1.228 -5.760 30 HH TYR 4 HH TYR 4 1.862 0.639 -6.997 31 H THR 5 HN THR 5 8.222 0.791 -0.036 32 HA THR 5 HA THR 5 8.295 -2.039 1.034 33 HB THR 5 HB THR 5 10.596 -1.752 1.507 34 HG1 THR 5 HG1 THR 5 10.440 0.314 2.405 35 HG21 THR 5 HG21 THR 5 11.579 -1.303 -0.610 36 HG22 THR 5 HG22 THR 5 10.341 -0.118 -1.012 37 HG23 THR 5 HG23 THR 5 9.943 -1.837 -1.002 38 H ALA 6 HN ALA 6 8.066 1.357 1.853 39 HA ALA 6 HA ALA 6 8.122 0.798 4.786 40 HB1 ALA 6 HB1 ALA 6 7.768 3.440 3.307 41 HB2 ALA 6 HB2 ALA 6 9.333 2.790 3.813 42 HB3 ALA 6 HB3 ALA 6 8.127 3.223 5.024 43 H1 NAL 7 H1 NAL 7 2.985 4.746 1.787 44 H3 NAL 7 H3 NAL 7 6.033 2.305 0.014 45 H4 NAL 7 H4 NAL 7 7.066 4.297 -1.042 46 H5 NAL 7 H5 NAL 7 7.067 6.847 -1.449 47 H6 NAL 7 H6 NAL 7 6.030 9.066 -1.075 48 H7 NAL 7 H7 NAL 7 3.989 9.281 0.323 49 H8 NAL 7 H8 NAL 7 2.964 7.275 1.361 50 H91 NAL 7 H91 NAL 7 2.731 2.375 1.455 51 H92 NAL 7 H92 NAL 7 4.172 1.393 1.169 52 H10 NAL 7 H10 NAL 7 3.897 3.340 3.488 53 HN1 NAL 7 HN1 NAL 7 6.193 2.537 2.461 54 H ILE 8 HN ILE 8 4.506 -0.122 3.030 55 HA ILE 8 HA ILE 8 2.510 -0.733 5.118 56 HB ILE 8 HB ILE 8 1.652 -2.535 3.296 57 HG12 ILE 8 HG12 ILE 8 1.480 -1.525 1.058 58 HG13 ILE 8 HG11 ILE 8 2.399 -0.122 1.586 59 HG21 ILE 8 HG21 ILE 8 0.236 -0.827 4.451 60 HG22 ILE 8 HG22 ILE 8 -0.209 -1.050 2.759 61 HG23 ILE 8 HG23 ILE 8 0.735 0.363 3.239 62 HD11 ILE 8 HD11 ILE 8 3.562 -2.903 1.760 63 HD12 ILE 8 HD12 ILE 8 4.411 -1.355 1.707 64 HD13 ILE 8 HD13 ILE 8 3.624 -1.982 0.269 65 H LYS 9 HN LYS 9 3.293 -2.272 6.361 66 HA LYS 9 HA LYS 9 5.637 -3.847 5.509 67 HB2 LYS 9 HB2 LYS 9 5.806 -2.440 7.569 68 HB3 LYS 9 HB1 LYS 9 4.545 -3.435 8.298 69 HG2 LYS 9 HG2 LYS 9 5.931 -5.421 8.125 70 HG3 LYS 9 HG1 LYS 9 7.161 -4.535 7.225 71 HD2 LYS 9 HD2 LYS 9 7.466 -3.035 9.203 72 HD3 LYS 9 HD1 LYS 9 6.331 -4.046 10.100 73 HE2 LYS 9 HE2 LYS 9 7.801 -6.005 9.736 74 HE3 LYS 9 HE1 LYS 9 8.945 -4.976 8.873 75 HZ1 LYS 9 HZ1 LYS 9 8.433 -5.196 11.713 76 HZ2 LYS 9 HZ2 LYS 9 8.601 -3.605 11.142 77 HZ3 LYS 9 HZ3 LYS 9 9.846 -4.734 10.896 78 H GLY 10 HN GLY 10 5.505 -6.032 5.287 79 HA2 GLY 10 HA2 GLY 10 4.719 -8.238 5.635 80 HA3 GLY 10 HA1 GLY 10 3.446 -7.606 6.674 81 H ARG 11 HN ARG 11 2.806 -5.644 4.345 82 HA ARG 11 HA ARG 11 1.458 -7.583 2.476 83 HB2 ARG 11 HB2 ARG 11 0.192 -5.150 3.779 84 HB3 ARG 11 HB1 ARG 11 -0.570 -6.158 2.554 85 HG2 ARG 11 HG2 ARG 11 0.395 -7.187 5.245 86 HG3 ARG 11 HG1 ARG 11 -1.264 -6.703 4.918 87 HD2 ARG 11 HD2 ARG 11 -1.107 -8.426 2.924 88 HD3 ARG 11 HD1 ARG 11 0.245 -9.086 3.846 89 HE ARG 11 HE ARG 11 -1.790 -8.853 5.717 90 HH11 ARG 11 HH21 ARG 11 -1.399 -10.307 2.608 91 HH12 ARG 11 HH22 ARG 11 -2.518 -11.591 2.923 92 HH21 ARG 11 HH11 ARG 11 -3.251 -10.524 6.140 93 HH22 ARG 11 HH12 ARG 11 -3.565 -11.714 4.921 94 H THR 12 HN THR 12 2.802 -7.085 0.725 95 HA THR 12 HA THR 12 3.072 -4.265 -0.071 96 HB THR 12 HB THR 12 4.562 -5.879 -1.870 97 HG1 THR 12 HG1 THR 12 5.123 -7.543 -0.767 98 HG21 THR 12 HG21 THR 12 5.553 -4.443 0.618 99 HG22 THR 12 HG22 THR 12 5.219 -3.654 -0.923 100 HG23 THR 12 HG23 THR 12 6.509 -4.854 -0.808 101 H PHE 13 HN PHE 13 2.769 -3.736 -2.346 102 HA PHE 13 HA PHE 13 0.489 -5.285 -3.562 103 HB2 PHE 13 HB2 PHE 13 1.107 -2.318 -3.470 104 HB3 PHE 13 HB1 PHE 13 -0.163 -3.017 -4.475 105 HD1 PHE 13 HD1 PHE 13 1.058 -2.908 -0.913 106 HD2 PHE 13 HD2 PHE 13 -2.314 -3.333 -3.543 107 HE1 PHE 13 HE1 PHE 13 -0.470 -2.913 1.031 108 HE2 PHE 13 HE2 PHE 13 -3.829 -3.349 -1.596 109 HZ PHE 13 HZ PHE 13 -2.906 -3.116 0.679 110 H ARG 14 HN ARG 14 0.740 -5.920 -5.642 111 HA ARG 14 HA ARG 14 3.256 -5.254 -7.073 112 HB2 ARG 14 HB2 ARG 14 0.931 -7.069 -7.820 113 HB3 ARG 14 HB1 ARG 14 2.432 -6.917 -8.731 114 HG2 ARG 14 HG2 ARG 14 2.226 -7.829 -5.844 115 HG3 ARG 14 HG1 ARG 14 2.432 -8.903 -7.220 116 HD2 ARG 14 HD2 ARG 14 4.540 -7.279 -7.689 117 HD3 ARG 14 HD1 ARG 14 4.439 -7.066 -5.944 118 HE ARG 14 HE ARG 14 5.548 -9.313 -7.278 119 HH11 ARG 14 HH21 ARG 14 3.308 -8.625 -4.740 120 HH12 ARG 14 HH22 ARG 14 3.394 -10.215 -4.069 121 HH21 ARG 14 HH11 ARG 14 5.683 -11.369 -6.395 122 HH22 ARG 14 HH12 ARG 14 4.741 -11.763 -4.995 123 H ASN 15 HN ASN 15 -0.249 -4.854 -7.338 124 HA ASN 15 HA ASN 15 0.102 -2.905 -9.593 125 HB2 ASN 15 HB2 ASN 15 -2.496 -3.144 -9.630 126 HB3 ASN 15 HB1 ASN 15 -1.523 -4.452 -10.313 127 HD21 ASN 15 HD21 ASN 15 -3.708 -5.603 -9.740 128 HD22 ASN 15 HD22 ASN 15 -3.791 -6.315 -8.201 129 H GLU 16 HN GLU 16 -0.124 -0.802 -9.125 130 HA GLU 16 HA GLU 16 -0.683 0.080 -6.465 131 HB2 GLU 16 HB2 GLU 16 0.626 1.404 -8.159 132 HB3 GLU 16 HB1 GLU 16 -0.881 1.696 -9.027 133 HG2 GLU 16 HG2 GLU 16 -1.823 2.846 -7.098 134 HG3 GLU 16 HG1 GLU 16 -0.396 2.461 -6.136 135 H LYS 17 HN LYS 17 -2.668 -0.789 -9.126 136 HA LYS 17 HA LYS 17 -4.981 0.711 -8.655 137 HB2 LYS 17 HB2 LYS 17 -4.459 -0.974 -10.548 138 HB3 LYS 17 HB1 LYS 17 -5.039 -2.216 -9.447 139 HG2 LYS 17 HG2 LYS 17 -7.197 -1.039 -9.235 140 HG3 LYS 17 HG1 LYS 17 -6.633 0.218 -10.331 141 HD2 LYS 17 HD2 LYS 17 -6.625 -2.686 -11.214 142 HD3 LYS 17 HD1 LYS 17 -8.109 -1.744 -11.295 143 HE2 LYS 17 HE2 LYS 17 -6.884 -0.033 -12.676 144 HE3 LYS 17 HE1 LYS 17 -5.491 -1.113 -12.701 145 HZ1 LYS 17 HZ1 LYS 17 -7.980 -1.288 -14.138 146 HZ2 LYS 17 HZ2 LYS 17 -7.493 -2.750 -13.421 147 HZ3 LYS 17 HZ3 LYS 17 -6.463 -1.947 -14.509 148 H GLU 18 HN GLU 18 -4.037 -2.441 -7.260 149 HA GLU 18 HA GLU 18 -6.339 -2.612 -5.557 150 HB2 GLU 18 HB2 GLU 18 -3.661 -4.017 -5.558 151 HB3 GLU 18 HB1 GLU 18 -4.905 -4.374 -4.357 152 HG2 GLU 18 HG2 GLU 18 -6.470 -5.027 -6.098 153 HG3 GLU 18 HG1 GLU 18 -5.335 -4.534 -7.355 154 H LEU 19 HN LEU 19 -3.122 -1.229 -5.159 155 HA LEU 19 HA LEU 19 -3.358 -0.828 -2.310 156 HB2 LEU 19 HB2 LEU 19 -1.182 -0.845 -3.385 157 HB3 LEU 19 HB1 LEU 19 -1.644 0.504 -4.398 158 HG LEU 19 HG LEU 19 -1.916 1.804 -2.180 159 HD11 LEU 19 HD11 LEU 19 -1.773 -0.188 -0.678 160 HD12 LEU 19 HD12 LEU 19 -0.584 1.051 -0.301 161 HD13 LEU 19 HD13 LEU 19 -0.099 -0.386 -1.191 162 HD21 LEU 19 HD21 LEU 19 0.821 0.913 -3.081 163 HD22 LEU 19 HD22 LEU 19 0.491 2.347 -2.110 164 HD23 LEU 19 HD23 LEU 19 -0.108 2.248 -3.764 165 H ARG 20 HN ARG 20 -4.300 1.042 -5.149 166 HA ARG 20 HA ARG 20 -4.879 3.496 -3.800 167 HB2 ARG 20 HB2 ARG 20 -4.778 3.306 -6.267 168 HB3 ARG 20 HB1 ARG 20 -6.206 2.278 -6.241 169 HG2 ARG 20 HG2 ARG 20 -6.798 4.596 -6.832 170 HG3 ARG 20 HG1 ARG 20 -7.543 4.137 -5.307 171 HD2 ARG 20 HD2 ARG 20 -6.094 5.513 -4.048 172 HD3 ARG 20 HD1 ARG 20 -4.860 5.536 -5.311 173 HE ARG 20 HE ARG 20 -7.047 6.786 -6.481 174 HH11 ARG 20 HH21 ARG 20 -5.178 7.168 -3.601 175 HH12 ARG 20 HH22 ARG 20 -5.424 8.880 -3.513 176 HH21 ARG 20 HH11 ARG 20 -7.374 9.018 -6.377 177 HH22 ARG 20 HH12 ARG 20 -6.666 9.926 -5.082 178 H ASP 21 HN ASP 21 -6.671 0.561 -4.322 179 HA ASP 21 HA ASP 21 -9.126 1.484 -3.154 180 HB2 ASP 21 HB2 ASP 21 -8.120 -1.304 -3.768 181 HB3 ASP 21 HB1 ASP 21 -9.747 -0.946 -3.192 182 H PHE 22 HN PHE 22 -6.581 -0.762 -2.025 183 HA PHE 22 HA PHE 22 -7.668 -1.080 0.560 184 HB2 PHE 22 HB2 PHE 22 -4.958 -1.477 -0.655 185 HB3 PHE 22 HB1 PHE 22 -5.062 -1.494 1.097 186 HD1 PHE 22 HD1 PHE 22 -7.422 -2.751 -1.536 187 HD2 PHE 22 HD2 PHE 22 -4.900 -3.762 1.798 188 HE1 PHE 22 HE1 PHE 22 -8.226 -5.083 -1.629 189 HE2 PHE 22 HE2 PHE 22 -5.711 -6.087 1.698 190 HZ PHE 22 HZ PHE 22 -7.374 -6.760 -0.012 191 H ILE 23 HN ILE 23 -5.883 1.481 -0.898 192 HA ILE 23 HA ILE 23 -4.988 2.777 1.512 193 HB ILE 23 HB ILE 23 -5.330 3.499 -1.373 194 HG12 ILE 23 HG12 ILE 23 -3.098 4.092 0.608 195 HG13 ILE 23 HG11 ILE 23 -3.199 2.612 -0.336 196 HG21 ILE 23 HG21 ILE 23 -5.236 5.580 0.811 197 HG22 ILE 23 HG22 ILE 23 -6.396 5.446 -0.515 198 HG23 ILE 23 HG23 ILE 23 -4.738 5.923 -0.845 199 HD11 ILE 23 HD11 ILE 23 -1.685 4.311 -1.357 200 HD12 ILE 23 HD12 ILE 23 -3.059 5.399 -1.522 201 HD13 ILE 23 HD13 ILE 23 -3.025 3.884 -2.408 202 H GLU 24 HN GLU 24 -7.901 2.857 -0.411 203 HA GLU 24 HA GLU 24 -9.202 4.952 1.008 204 HB2 GLU 24 HB2 GLU 24 -10.404 2.588 -0.458 205 HB3 GLU 24 HB1 GLU 24 -11.361 3.898 0.216 206 HG2 GLU 24 HG2 GLU 24 -10.093 5.522 -1.168 207 HG3 GLU 24 HG1 GLU 24 -9.194 4.188 -1.887 208 H LYS 25 HN LYS 25 -8.628 1.608 1.756 209 HA LYS 25 HA LYS 25 -10.578 1.455 3.926 210 HB2 LYS 25 HB2 LYS 25 -9.671 -0.541 2.653 211 HB3 LYS 25 HB1 LYS 25 -8.138 -0.300 3.487 212 HG2 LYS 25 HG2 LYS 25 -9.330 -0.522 5.671 213 HG3 LYS 25 HG1 LYS 25 -10.818 -0.875 4.791 214 HD2 LYS 25 HD2 LYS 25 -9.790 -2.845 3.774 215 HD3 LYS 25 HD1 LYS 25 -8.253 -2.475 4.557 216 HE2 LYS 25 HE2 LYS 25 -9.558 -4.216 5.781 217 HE3 LYS 25 HE1 LYS 25 -9.254 -2.781 6.760 218 HZ1 LYS 25 HZ1 LYS 25 -11.730 -3.097 5.172 219 HZ2 LYS 25 HZ2 LYS 25 -11.430 -2.030 6.460 220 HZ3 LYS 25 HZ3 LYS 25 -11.600 -3.695 6.755 221 H PHE 26 HN PHE 26 -7.001 1.871 3.779 222 HA PHE 26 HA PHE 26 -6.642 2.084 6.611 223 HB2 PHE 26 HB2 PHE 26 -4.967 3.648 4.624 224 HB3 PHE 26 HB1 PHE 26 -4.469 2.962 6.163 225 HD1 PHE 26 HD1 PHE 26 -5.754 0.151 5.773 226 HD2 PHE 26 HD2 PHE 26 -3.335 2.623 3.203 227 HE1 PHE 26 HE1 PHE 26 -4.931 -1.858 4.604 228 HE2 PHE 26 HE2 PHE 26 -2.524 0.593 2.028 229 HZ PHE 26 HZ PHE 26 -3.318 -1.645 2.738 230 H11A DNS 27 H22 DNS 27 0.693 4.536 6.602 231 H12 DNS 27 H23 DNS 27 1.587 5.215 5.238 232 H13 DNS 27 H24 DNS 27 1.708 3.481 5.601 233 H21 DNS 27 H21 DNS 27 -0.202 2.130 5.517 234 H22 DNS 27 H19 DNS 27 -1.525 2.536 4.410 235 H23 DNS 27 H20 DNS 27 -1.502 3.224 6.037 236 H4 DNS 27 H14 DNS 27 -1.480 5.294 6.711 237 H5 DNS 27 H15 DNS 27 -2.878 7.350 6.404 238 H6 DNS 27 H16 DNS 27 -3.094 8.402 4.142 239 HZ DNS 27 HZ1 DNS 27 -4.183 7.885 3.027 240 HE3 DNS 27 HE1 DNS 27 -5.431 9.837 2.376 241 HE2 DNS 27 HE2 DNS 27 -5.459 9.203 0.741 242 HD3 DNS 27 HD1 DNS 27 -7.546 8.760 2.054 243 HD2 DNS 27 HD2 DNS 27 -6.779 7.307 1.414 244 HG3 DNS 27 HG1 DNS 27 -5.887 6.704 3.548 245 HG2 DNS 27 HG2 DNS 27 -6.207 8.302 4.224 246 HB3 DNS 27 HB1 DNS 27 -8.593 7.931 4.166 247 HB2 DNS 27 HB2 DNS 27 -8.390 6.421 3.277 248 HA DNS 27 HA DNS 27 -7.144 6.813 6.013 249 H DNS 27 HN DNS 27 -7.120 4.646 4.156 250 H9 DNS 27 H9 DNS 27 -1.332 7.386 -0.234 251 H10 DNS 27 H10 DNS 27 0.058 5.340 0.089 252 H11 DNS 27 H11 DNS 27 0.267 4.299 2.352 253 H GLY 28 HN GLY 28 -8.591 7.243 7.593 254 HA2 GLY 28 HA2 GLY 28 -11.424 7.100 7.268 255 HA3 GLY 28 HA1 GLY 28 -10.879 5.658 8.126 256 H ARG 29 HN ARG 29 -9.177 6.284 9.941 257 HA ARG 29 HA ARG 29 -10.560 7.869 11.885 258 HB2 ARG 29 HB2 ARG 29 -7.771 6.699 11.729 259 HB3 ARG 29 HB1 ARG 29 -8.114 7.875 12.991 260 HG2 ARG 29 HG2 ARG 29 -8.484 5.645 13.873 261 HG3 ARG 29 HG1 ARG 29 -10.035 6.468 13.743 262 HD2 ARG 29 HD2 ARG 29 -8.975 4.610 11.596 263 HD3 ARG 29 HD1 ARG 29 -10.005 4.063 12.916 264 HE ARG 29 HE ARG 29 -11.389 6.214 11.824 265 HH11 ARG 29 HH21 ARG 29 -10.025 3.259 10.668 266 HH12 ARG 29 HH22 ARG 29 -11.204 3.053 9.416 267 HH21 ARG 29 HH11 ARG 29 -12.933 5.955 10.200 268 HH22 ARG 29 HH12 ARG 29 -12.850 4.579 9.153 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 10.721 3.109 -8.652 2 H2 GLY 1 HT2 GLY 1 11.460 3.302 -10.170 3 H3 GLY 1 HT3 GLY 1 12.414 3.173 -8.769 4 HA2 GLY 1 HA2 GLY 1 10.901 1.071 -10.314 5 HA3 GLY 1 HA1 GLY 1 12.503 1.015 -9.517 6 H GLN 2 HN GLN 2 12.385 1.898 -7.073 7 HA GLN 2 HA GLN 2 12.620 -0.779 -6.047 8 HB2 GLN 2 HB2 GLN 2 12.307 1.829 -4.524 9 HB3 GLN 2 HB1 GLN 2 12.898 0.306 -3.858 10 HG2 GLN 2 HG2 GLN 2 14.801 0.342 -5.410 11 HG3 GLN 2 HG1 GLN 2 14.205 1.840 -6.125 12 HE21 GLN 2 HE21 GLN 2 16.010 3.152 -5.436 13 HE22 GLN 2 HE22 GLN 2 16.300 3.504 -3.801 14 H GLN 3 HN GLN 3 11.133 -2.021 -4.911 15 HA GLN 3 HA GLN 3 8.332 -1.397 -5.244 16 HB2 GLN 3 HB2 GLN 3 9.517 -3.493 -3.404 17 HB3 GLN 3 HB1 GLN 3 7.894 -3.466 -4.100 18 HG2 GLN 3 HG2 GLN 3 8.904 -3.610 -6.374 19 HG3 GLN 3 HG1 GLN 3 10.499 -3.745 -5.631 20 HE21 GLN 3 HE21 GLN 3 7.370 -5.419 -5.993 21 HE22 GLN 3 HE22 GLN 3 7.948 -6.947 -5.530 22 H TYR 4 HN TYR 4 6.822 -0.864 -3.642 23 HA TYR 4 HA TYR 4 7.666 1.001 -1.689 24 HB2 TYR 4 HB2 TYR 4 4.981 -0.068 -1.132 25 HB3 TYR 4 HB1 TYR 4 5.422 1.528 -1.695 26 HD1 TYR 4 HD2 TYR 4 6.424 1.478 -4.232 27 HD2 TYR 4 HD1 TYR 4 3.527 -1.254 -2.604 28 HE1 TYR 4 HE2 TYR 4 5.629 0.952 -6.517 29 HE2 TYR 4 HE1 TYR 4 2.746 -1.773 -4.893 30 HH TYR 4 HH TYR 4 3.129 -0.011 -7.417 31 H THR 5 HN THR 5 8.625 0.550 0.272 32 HA THR 5 HA THR 5 8.020 -2.089 1.622 33 HB THR 5 HB THR 5 10.265 -2.207 2.327 34 HG1 THR 5 HG1 THR 5 10.758 0.427 1.476 35 HG21 THR 5 HG21 THR 5 10.650 -0.734 -0.273 36 HG22 THR 5 HG22 THR 5 9.912 -2.337 -0.245 37 HG23 THR 5 HG23 THR 5 11.562 -2.111 0.339 38 H ALA 6 HN ALA 6 8.401 1.362 2.041 39 HA ALA 6 HA ALA 6 8.111 1.248 4.985 40 HB1 ALA 6 HB1 ALA 6 8.033 3.655 3.116 41 HB2 ALA 6 HB2 ALA 6 9.517 2.997 3.819 42 HB3 ALA 6 HB3 ALA 6 8.273 3.678 4.867 43 H1 NAL 7 H1 NAL 7 3.385 4.986 1.213 44 H3 NAL 7 H3 NAL 7 6.549 2.360 -0.008 45 H4 NAL 7 H4 NAL 7 7.818 4.272 -0.954 46 H5 NAL 7 H5 NAL 7 7.987 6.799 -1.450 47 H6 NAL 7 H6 NAL 7 7.001 9.067 -1.321 48 H7 NAL 7 H7 NAL 7 4.787 9.418 -0.255 49 H8 NAL 7 H8 NAL 7 3.532 7.499 0.690 50 H91 NAL 7 H91 NAL 7 3.082 2.643 1.020 51 H92 NAL 7 H92 NAL 7 4.478 1.569 0.865 52 H10 NAL 7 H10 NAL 7 4.102 3.588 3.115 53 HN1 NAL 7 HN1 NAL 7 6.431 2.513 2.211 54 H ILE 8 HN ILE 8 4.622 0.102 2.666 55 HA ILE 8 HA ILE 8 2.562 -0.437 4.722 56 HB ILE 8 HB ILE 8 1.658 -2.197 2.891 57 HG12 ILE 8 HG12 ILE 8 1.565 -1.181 0.643 58 HG13 ILE 8 HG11 ILE 8 2.563 0.166 1.180 59 HG21 ILE 8 HG21 ILE 8 0.304 -0.416 4.007 60 HG22 ILE 8 HG22 ILE 8 -0.117 -0.621 2.307 61 HG23 ILE 8 HG23 ILE 8 0.889 0.744 2.804 62 HD11 ILE 8 HD11 ILE 8 4.491 -1.194 1.345 63 HD12 ILE 8 HD12 ILE 8 3.695 -1.758 -0.123 64 HD13 ILE 8 HD13 ILE 8 3.543 -2.684 1.356 65 H LYS 9 HN LYS 9 3.537 -1.774 6.068 66 HA LYS 9 HA LYS 9 5.732 -3.499 5.177 67 HB2 LYS 9 HB2 LYS 9 5.894 -2.010 7.237 68 HB3 LYS 9 HB1 LYS 9 4.744 -3.099 8.006 69 HG2 LYS 9 HG2 LYS 9 6.791 -4.023 8.707 70 HG3 LYS 9 HG1 LYS 9 6.451 -4.994 7.280 71 HD2 LYS 9 HD2 LYS 9 7.947 -3.578 5.932 72 HD3 LYS 9 HD1 LYS 9 8.224 -2.524 7.318 73 HE2 LYS 9 HE2 LYS 9 9.282 -4.331 8.544 74 HE3 LYS 9 HE1 LYS 9 8.878 -5.483 7.271 75 HZ1 LYS 9 HZ1 LYS 9 10.359 -4.475 5.795 76 HZ2 LYS 9 HZ2 LYS 9 11.208 -4.523 7.266 77 HZ3 LYS 9 HZ3 LYS 9 10.503 -3.071 6.735 78 H GLY 10 HN GLY 10 5.648 -5.710 5.157 79 HA2 GLY 10 HA2 GLY 10 4.826 -7.885 5.517 80 HA3 GLY 10 HA1 GLY 10 3.589 -7.212 6.573 81 H ARG 11 HN ARG 11 2.876 -5.325 4.190 82 HA ARG 11 HA ARG 11 1.455 -7.342 2.459 83 HB2 ARG 11 HB2 ARG 11 0.227 -4.847 3.674 84 HB3 ARG 11 HB1 ARG 11 -0.578 -5.974 2.580 85 HG2 ARG 11 HG2 ARG 11 -0.270 -7.789 4.230 86 HG3 ARG 11 HG1 ARG 11 0.514 -6.653 5.328 87 HD2 ARG 11 HD2 ARG 11 -2.339 -6.485 4.314 88 HD3 ARG 11 HD1 ARG 11 -1.837 -6.899 5.953 89 HE ARG 11 HE ARG 11 -0.678 -4.416 5.511 90 HH11 ARG 11 HH21 ARG 11 -3.850 -5.767 5.291 91 HH12 ARG 11 HH22 ARG 11 -4.650 -4.283 5.686 92 HH21 ARG 11 HH11 ARG 11 -1.711 -2.476 6.028 93 HH22 ARG 11 HH12 ARG 11 -3.441 -2.422 6.103 94 H THR 12 HN THR 12 2.714 -6.917 0.621 95 HA THR 12 HA THR 12 2.889 -4.133 -0.339 96 HB THR 12 HB THR 12 4.355 -5.728 -2.129 97 HG1 THR 12 HG1 THR 12 4.059 -7.448 -0.624 98 HG21 THR 12 HG21 THR 12 5.054 -3.539 -1.160 99 HG22 THR 12 HG22 THR 12 6.333 -4.752 -1.057 100 HG23 THR 12 HG23 THR 12 5.385 -4.346 0.373 101 H PHE 13 HN PHE 13 2.435 -3.749 -2.619 102 HA PHE 13 HA PHE 13 0.128 -5.423 -3.585 103 HB2 PHE 13 HB2 PHE 13 0.723 -2.463 -3.834 104 HB3 PHE 13 HB1 PHE 13 -0.619 -3.270 -4.642 105 HD1 PHE 13 HD1 PHE 13 0.904 -2.726 -1.251 106 HD2 PHE 13 HD2 PHE 13 -2.668 -3.538 -3.481 107 HE1 PHE 13 HE1 PHE 13 -0.434 -2.540 0.818 108 HE2 PHE 13 HE2 PHE 13 -4.005 -3.354 -1.416 109 HZ PHE 13 HZ PHE 13 -2.885 -2.840 0.726 110 H ARG 14 HN ARG 14 0.233 -6.211 -5.632 111 HA ARG 14 HA ARG 14 2.695 -5.815 -7.205 112 HB2 ARG 14 HB2 ARG 14 0.133 -7.354 -7.780 113 HB3 ARG 14 HB1 ARG 14 1.558 -7.360 -8.819 114 HG2 ARG 14 HG2 ARG 14 2.912 -8.301 -7.001 115 HG3 ARG 14 HG1 ARG 14 1.522 -8.244 -5.916 116 HD2 ARG 14 HD2 ARG 14 1.612 -9.821 -8.503 117 HD3 ARG 14 HD1 ARG 14 1.895 -10.511 -6.905 118 HE ARG 14 HE ARG 14 -0.568 -9.240 -6.672 119 HH11 ARG 14 HH21 ARG 14 0.855 -11.596 -8.758 120 HH12 ARG 14 HH22 ARG 14 -0.639 -12.415 -9.068 121 HH21 ARG 14 HH11 ARG 14 -2.522 -10.298 -7.069 122 HH22 ARG 14 HH12 ARG 14 -2.550 -11.680 -8.112 123 H ASN 15 HN ASN 15 -0.752 -5.044 -7.381 124 HA ASN 15 HA ASN 15 -0.245 -3.094 -9.607 125 HB2 ASN 15 HB2 ASN 15 -2.857 -3.091 -9.616 126 HB3 ASN 15 HB1 ASN 15 -2.014 -4.460 -10.350 127 HD21 ASN 15 HD21 ASN 15 -4.307 -5.400 -9.778 128 HD22 ASN 15 HD22 ASN 15 -4.433 -6.161 -8.265 129 H GLU 16 HN GLU 16 -0.270 -0.993 -9.078 130 HA GLU 16 HA GLU 16 -0.718 -0.140 -6.386 131 HB2 GLU 16 HB2 GLU 16 0.673 1.054 -8.182 132 HB3 GLU 16 HB1 GLU 16 -0.852 1.624 -8.857 133 HG2 GLU 16 HG2 GLU 16 -1.392 2.592 -6.581 134 HG3 GLU 16 HG1 GLU 16 0.251 2.180 -6.091 135 H LYS 17 HN LYS 17 -2.797 -0.744 -9.052 136 HA LYS 17 HA LYS 17 -4.979 0.922 -8.525 137 HB2 LYS 17 HB2 LYS 17 -4.674 -0.703 -10.471 138 HB3 LYS 17 HB1 LYS 17 -5.210 -1.979 -9.382 139 HG2 LYS 17 HG2 LYS 17 -7.292 -0.580 -8.941 140 HG3 LYS 17 HG1 LYS 17 -6.782 0.465 -10.260 141 HD2 LYS 17 HD2 LYS 17 -7.229 -2.529 -10.534 142 HD3 LYS 17 HD1 LYS 17 -8.440 -1.315 -10.930 143 HE2 LYS 17 HE2 LYS 17 -5.780 -1.800 -12.298 144 HE3 LYS 17 HE1 LYS 17 -7.390 -1.859 -13.003 145 HZ1 LYS 17 HZ1 LYS 17 -5.766 0.473 -12.285 146 HZ2 LYS 17 HZ2 LYS 17 -7.458 0.605 -12.207 147 HZ3 LYS 17 HZ3 LYS 17 -6.702 0.192 -13.672 148 H GLU 18 HN GLU 18 -4.308 -2.337 -7.232 149 HA GLU 18 HA GLU 18 -6.582 -2.361 -5.502 150 HB2 GLU 18 HB2 GLU 18 -4.016 -3.956 -5.586 151 HB3 GLU 18 HB1 GLU 18 -5.228 -4.231 -4.331 152 HG2 GLU 18 HG2 GLU 18 -6.908 -4.776 -5.990 153 HG3 GLU 18 HG1 GLU 18 -5.823 -4.327 -7.303 154 H LEU 19 HN LEU 19 -3.331 -1.096 -5.174 155 HA LEU 19 HA LEU 19 -3.431 -0.758 -2.303 156 HB2 LEU 19 HB2 LEU 19 -1.307 -0.798 -3.459 157 HB3 LEU 19 HB1 LEU 19 -1.780 0.569 -4.446 158 HG LEU 19 HG LEU 19 -1.953 1.825 -2.161 159 HD11 LEU 19 HD11 LEU 19 -0.617 1.054 -0.358 160 HD12 LEU 19 HD12 LEU 19 0.045 -0.258 -1.326 161 HD13 LEU 19 HD13 LEU 19 -1.639 -0.302 -0.814 162 HD21 LEU 19 HD21 LEU 19 -0.305 2.457 -3.786 163 HD22 LEU 19 HD22 LEU 19 0.670 1.036 -3.413 164 HD23 LEU 19 HD23 LEU 19 0.511 2.335 -2.229 165 H ARG 20 HN ARG 20 -4.341 1.255 -5.081 166 HA ARG 20 HA ARG 20 -4.848 3.678 -3.647 167 HB2 ARG 20 HB2 ARG 20 -6.084 2.513 -6.157 168 HB3 ARG 20 HB1 ARG 20 -6.506 4.114 -5.551 169 HG2 ARG 20 HG2 ARG 20 -4.218 4.878 -5.778 170 HG3 ARG 20 HG1 ARG 20 -3.668 3.254 -6.192 171 HD2 ARG 20 HD2 ARG 20 -5.078 3.299 -8.220 172 HD3 ARG 20 HD1 ARG 20 -5.603 4.933 -7.813 173 HE ARG 20 HE ARG 20 -2.830 5.108 -7.854 174 HH11 ARG 20 HH21 ARG 20 -5.300 4.022 -10.011 175 HH12 ARG 20 HH22 ARG 20 -4.416 4.440 -11.440 176 HH21 ARG 20 HH11 ARG 20 -1.670 5.658 -9.709 177 HH22 ARG 20 HH12 ARG 20 -2.363 5.365 -11.270 178 H ASP 21 HN ASP 21 -6.774 0.834 -4.237 179 HA ASP 21 HA ASP 21 -9.160 1.822 -2.983 180 HB2 ASP 21 HB2 ASP 21 -9.255 0.042 -4.679 181 HB3 ASP 21 HB1 ASP 21 -8.340 -1.023 -3.615 182 H PHE 22 HN PHE 22 -6.695 -0.562 -1.979 183 HA PHE 22 HA PHE 22 -7.736 -0.944 0.615 184 HB2 PHE 22 HB2 PHE 22 -5.066 -1.361 -0.682 185 HB3 PHE 22 HB1 PHE 22 -5.134 -1.458 1.068 186 HD1 PHE 22 HD2 PHE 22 -7.663 -2.527 -1.491 187 HD2 PHE 22 HD1 PHE 22 -4.917 -3.770 1.579 188 HE1 PHE 22 HE2 PHE 22 -8.509 -4.840 -1.663 189 HE2 PHE 22 HE1 PHE 22 -5.768 -6.076 1.397 190 HZ PHE 22 HZ PHE 22 -7.566 -6.622 -0.221 191 H ILE 23 HN ILE 23 -5.895 1.608 -0.785 192 HA ILE 23 HA ILE 23 -4.922 2.780 1.662 193 HB ILE 23 HB ILE 23 -5.247 3.602 -1.198 194 HG12 ILE 23 HG12 ILE 23 -2.974 4.011 0.786 195 HG13 ILE 23 HG11 ILE 23 -3.155 2.580 -0.224 196 HG21 ILE 23 HG21 ILE 23 -6.208 5.572 -0.286 197 HG22 ILE 23 HG22 ILE 23 -4.526 5.983 -0.583 198 HG23 ILE 23 HG23 ILE 23 -5.060 5.602 1.054 199 HD11 ILE 23 HD11 ILE 23 -2.980 3.972 -2.239 200 HD12 ILE 23 HD12 ILE 23 -1.569 4.198 -1.215 201 HD13 ILE 23 HD13 ILE 23 -2.843 5.417 -1.247 202 H GLU 24 HN GLU 24 -7.845 3.033 -0.230 203 HA GLU 24 HA GLU 24 -9.035 5.161 1.230 204 HB2 GLU 24 HB2 GLU 24 -10.356 2.868 -0.246 205 HB3 GLU 24 HB1 GLU 24 -11.252 4.201 0.464 206 HG2 GLU 24 HG2 GLU 24 -10.009 5.805 -0.925 207 HG3 GLU 24 HG1 GLU 24 -9.083 4.484 -1.637 208 H LYS 25 HN LYS 25 -8.633 1.773 1.926 209 HA LYS 25 HA LYS 25 -10.539 1.718 4.142 210 HB2 LYS 25 HB2 LYS 25 -9.916 -0.348 2.930 211 HB3 LYS 25 HB1 LYS 25 -8.253 -0.163 3.479 212 HG2 LYS 25 HG2 LYS 25 -8.876 -0.489 5.779 213 HG3 LYS 25 HG1 LYS 25 -10.592 -0.373 5.396 214 HD2 LYS 25 HD2 LYS 25 -9.996 -2.717 5.711 215 HD3 LYS 25 HD1 LYS 25 -10.403 -2.439 4.020 216 HE2 LYS 25 HE2 LYS 25 -8.121 -2.528 3.343 217 HE3 LYS 25 HE1 LYS 25 -7.534 -2.311 4.994 218 HZ1 LYS 25 HZ1 LYS 25 -7.707 -4.475 5.403 219 HZ2 LYS 25 HZ2 LYS 25 -7.855 -4.686 3.724 220 HZ3 LYS 25 HZ3 LYS 25 -9.245 -4.593 4.698 221 H PHE 26 HN PHE 26 -6.951 1.905 3.911 222 HA PHE 26 HA PHE 26 -6.517 2.075 6.740 223 HB2 PHE 26 HB2 PHE 26 -4.771 3.513 4.716 224 HB3 PHE 26 HB1 PHE 26 -4.294 2.793 6.247 225 HD1 PHE 26 HD1 PHE 26 -5.774 0.083 5.895 226 HD2 PHE 26 HD2 PHE 26 -3.252 2.379 3.258 227 HE1 PHE 26 HE1 PHE 26 -5.118 -1.980 4.716 228 HE2 PHE 26 HE2 PHE 26 -2.612 0.293 2.068 229 HZ PHE 26 HZ PHE 26 -3.542 -1.882 2.814 230 H11A DNS 27 H22 DNS 27 2.246 3.926 7.491 231 H12 DNS 27 H23 DNS 27 2.525 4.328 5.794 232 H13 DNS 27 H24 DNS 27 2.781 2.666 6.366 233 H21 DNS 27 H21 DNS 27 -0.660 2.148 7.359 234 H22 DNS 27 H19 DNS 27 -0.739 3.908 7.547 235 H23 DNS 27 H20 DNS 27 0.595 3.007 8.273 236 H4 DNS 27 H14 DNS 27 -0.143 2.621 3.745 237 H5 DNS 27 H15 DNS 27 -1.140 4.238 2.122 238 H6 DNS 27 H16 DNS 27 -1.382 6.651 2.730 239 HZ DNS 27 HZ1 DNS 27 -3.310 8.352 4.738 240 HE3 DNS 27 HE1 DNS 27 -3.238 8.883 2.087 241 HE2 DNS 27 HE2 DNS 27 -3.420 7.138 2.172 242 HD3 DNS 27 HD1 DNS 27 -5.214 9.240 3.396 243 HD2 DNS 27 HD2 DNS 27 -5.622 8.063 2.145 244 HG3 DNS 27 HG1 DNS 27 -5.122 6.245 3.852 245 HG2 DNS 27 HG2 DNS 27 -5.009 7.517 5.068 246 HB3 DNS 27 HB1 DNS 27 -7.331 8.246 4.424 247 HB2 DNS 27 HB2 DNS 27 -7.432 6.835 3.370 248 HA DNS 27 HA DNS 27 -6.895 6.735 6.355 249 H DNS 27 HN DNS 27 -6.871 4.641 4.286 250 H9 DNS 27 H9 DNS 27 -0.362 9.299 6.596 251 H10 DNS 27 H10 DNS 27 0.635 7.710 8.237 252 H11 DNS 27 H11 DNS 27 0.896 5.303 7.665 253 H GLY 28 HN GLY 28 -8.833 5.333 7.302 254 HA2 GLY 28 HA2 GLY 28 -11.202 6.898 7.053 255 HA3 GLY 28 HA1 GLY 28 -11.404 5.428 6.098 256 H ARG 29 HN ARG 29 -9.983 6.191 9.299 257 HA ARG 29 HA ARG 29 -10.224 5.087 11.355 258 HB2 ARG 29 HB2 ARG 29 -13.014 4.438 10.358 259 HB3 ARG 29 HB1 ARG 29 -12.482 4.610 12.031 260 HG2 ARG 29 HG2 ARG 29 -12.562 6.820 9.949 261 HG3 ARG 29 HG1 ARG 29 -13.681 6.626 11.296 262 HD2 ARG 29 HD2 ARG 29 -12.156 8.212 12.138 263 HD3 ARG 29 HD1 ARG 29 -11.500 6.707 12.781 264 HE ARG 29 HE ARG 29 -10.228 7.025 10.322 265 HH11 ARG 29 HH21 ARG 29 -10.668 8.896 13.192 266 HH12 ARG 29 HH22 ARG 29 -9.158 9.729 13.036 267 HH21 ARG 29 HH11 ARG 29 -8.257 8.105 10.108 268 HH22 ARG 29 HH12 ARG 29 -7.795 9.281 11.292 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 10.609 2.297 -11.381 2 H2 GLY 1 HT2 GLY 1 9.690 3.582 -12.003 3 H3 GLY 1 HT3 GLY 1 8.933 2.122 -11.582 4 HA2 GLY 1 HA2 GLY 1 9.521 4.477 -9.972 5 HA3 GLY 1 HA1 GLY 1 8.628 2.987 -9.546 6 H GLN 2 HN GLN 2 10.172 4.244 -7.673 7 HA GLN 2 HA GLN 2 11.834 2.060 -6.809 8 HB2 GLN 2 HB2 GLN 2 10.461 4.179 -5.126 9 HB3 GLN 2 HB1 GLN 2 11.836 3.189 -4.636 10 HG2 GLN 2 HG2 GLN 2 13.214 4.178 -6.400 11 HG3 GLN 2 HG1 GLN 2 11.839 5.120 -6.975 12 HE21 GLN 2 HE21 GLN 2 14.571 5.788 -5.512 13 HE22 GLN 2 HE22 GLN 2 14.081 6.889 -4.316 14 H GLN 3 HN GLN 3 11.296 0.223 -5.658 15 HA GLN 3 HA GLN 3 8.521 -0.581 -5.541 16 HB2 GLN 3 HB2 GLN 3 10.419 -2.182 -5.803 17 HB3 GLN 3 HB1 GLN 3 10.911 -1.828 -4.147 18 HG2 GLN 3 HG2 GLN 3 8.814 -2.678 -3.278 19 HG3 GLN 3 HG1 GLN 3 8.171 -2.879 -4.909 20 HE21 GLN 3 HE21 GLN 3 7.920 -5.233 -4.380 21 HE22 GLN 3 HE22 GLN 3 9.274 -6.252 -4.450 22 H TYR 4 HN TYR 4 7.156 -0.651 -3.764 23 HA TYR 4 HA TYR 4 7.525 1.278 -1.730 24 HB2 TYR 4 HB2 TYR 4 5.508 -0.450 -0.768 25 HB3 TYR 4 HB1 TYR 4 5.248 0.975 -1.759 26 HD1 TYR 4 HD1 TYR 4 6.590 -2.496 -2.378 27 HD2 TYR 4 HD2 TYR 4 3.788 0.544 -3.581 28 HE1 TYR 4 HE1 TYR 4 5.828 -3.931 -4.238 29 HE2 TYR 4 HE2 TYR 4 3.027 -0.907 -5.435 30 HH TYR 4 HH TYR 4 4.614 -4.000 -6.127 31 H THR 5 HN THR 5 8.667 1.153 0.145 32 HA THR 5 HA THR 5 9.402 -1.565 1.243 33 HB THR 5 HB THR 5 11.501 -0.662 1.899 34 HG1 THR 5 HG1 THR 5 11.817 1.681 1.436 35 HG21 THR 5 HG21 THR 5 10.972 0.710 -0.737 36 HG22 THR 5 HG22 THR 5 11.155 -1.041 -0.610 37 HG23 THR 5 HG23 THR 5 12.492 0.024 -0.170 38 H ALA 6 HN ALA 6 8.171 1.620 1.947 39 HA ALA 6 HA ALA 6 7.998 0.997 4.889 40 HB1 ALA 6 HB1 ALA 6 7.793 3.686 3.482 41 HB2 ALA 6 HB2 ALA 6 9.279 3.054 4.206 42 HB3 ALA 6 HB3 ALA 6 7.881 3.400 5.223 43 H1 NAL 7 H1 NAL 7 3.227 4.822 1.347 44 H3 NAL 7 H3 NAL 7 6.242 2.275 -0.336 45 H4 NAL 7 H4 NAL 7 7.351 4.222 -1.395 46 H5 NAL 7 H5 NAL 7 7.432 6.767 -1.828 47 H6 NAL 7 H6 NAL 7 6.450 9.018 -1.495 48 H7 NAL 7 H7 NAL 7 4.392 9.303 -0.138 49 H8 NAL 7 H8 NAL 7 3.291 7.336 0.899 50 H91 NAL 7 H91 NAL 7 2.916 2.427 0.966 51 H92 NAL 7 H92 NAL 7 4.350 1.416 0.780 52 H10 NAL 7 H10 NAL 7 3.900 3.375 3.064 53 HN1 NAL 7 HN1 NAL 7 6.319 2.622 2.256 54 H ILE 8 HN ILE 8 4.495 -0.070 2.435 55 HA ILE 8 HA ILE 8 2.511 -0.761 4.531 56 HB ILE 8 HB ILE 8 1.550 -2.401 2.617 57 HG12 ILE 8 HG12 ILE 8 1.363 -1.233 0.455 58 HG13 ILE 8 HG11 ILE 8 2.370 0.081 1.045 59 HG21 ILE 8 HG21 ILE 8 0.755 0.528 2.766 60 HG22 ILE 8 HG22 ILE 8 0.227 -0.718 3.907 61 HG23 ILE 8 HG23 ILE 8 -0.257 -0.808 2.214 62 HD11 ILE 8 HD11 ILE 8 3.327 -2.779 0.900 63 HD12 ILE 8 HD12 ILE 8 4.301 -1.322 1.102 64 HD13 ILE 8 HD13 ILE 8 3.501 -1.650 -0.431 65 H LYS 9 HN LYS 9 3.682 -2.061 5.777 66 HA LYS 9 HA LYS 9 5.718 -3.846 4.634 67 HB2 LYS 9 HB2 LYS 9 5.071 -3.030 7.474 68 HB3 LYS 9 HB1 LYS 9 6.265 -4.266 7.085 69 HG2 LYS 9 HG2 LYS 9 7.646 -2.707 5.899 70 HG3 LYS 9 HG1 LYS 9 6.386 -1.477 5.895 71 HD2 LYS 9 HD2 LYS 9 8.055 -0.927 7.591 72 HD3 LYS 9 HD1 LYS 9 6.532 -1.344 8.375 73 HE2 LYS 9 HE2 LYS 9 7.344 -3.478 9.056 74 HE3 LYS 9 HE1 LYS 9 8.704 -3.413 7.932 75 HZ1 LYS 9 HZ1 LYS 9 8.346 -2.048 10.502 76 HZ2 LYS 9 HZ2 LYS 9 9.282 -1.292 9.303 77 HZ3 LYS 9 HZ3 LYS 9 9.714 -2.833 9.875 78 H GLY 10 HN GLY 10 5.654 -6.069 4.795 79 HA2 GLY 10 HA2 GLY 10 4.811 -8.215 5.229 80 HA3 GLY 10 HA1 GLY 10 3.681 -7.497 6.371 81 H ARG 11 HN ARG 11 2.776 -5.646 4.047 82 HA ARG 11 HA ARG 11 1.218 -7.661 2.442 83 HB2 ARG 11 HB2 ARG 11 0.067 -5.174 3.747 84 HB3 ARG 11 HB1 ARG 11 -0.811 -6.335 2.751 85 HG2 ARG 11 HG2 ARG 11 -0.245 -8.117 4.402 86 HG3 ARG 11 HG1 ARG 11 0.506 -6.898 5.425 87 HD2 ARG 11 HD2 ARG 11 -1.846 -5.676 5.180 88 HD3 ARG 11 HD1 ARG 11 -2.422 -7.300 4.811 89 HE ARG 11 HE ARG 11 -1.839 -6.276 7.405 90 HH11 ARG 11 HH21 ARG 11 -1.225 -9.081 5.484 91 HH12 ARG 11 HH22 ARG 11 -0.766 -10.056 6.836 92 HH21 ARG 11 HH11 ARG 11 -1.271 -7.544 9.163 93 HH22 ARG 11 HH12 ARG 11 -0.801 -9.193 8.914 94 H THR 12 HN THR 12 2.315 -7.208 0.507 95 HA THR 12 HA THR 12 2.320 -4.408 -0.452 96 HB THR 12 HB THR 12 3.865 -5.817 -2.274 97 HG1 THR 12 HG1 THR 12 4.297 -7.633 -1.345 98 HG21 THR 12 HG21 THR 12 5.813 -4.858 -1.116 99 HG22 THR 12 HG22 THR 12 4.828 -4.559 0.316 100 HG23 THR 12 HG23 THR 12 4.491 -3.691 -1.181 101 H PHE 13 HN PHE 13 1.777 -4.069 -2.706 102 HA PHE 13 HA PHE 13 -0.325 -5.983 -3.693 103 HB2 PHE 13 HB2 PHE 13 -0.176 -2.975 -4.053 104 HB3 PHE 13 HB1 PHE 13 -1.505 -4.031 -4.540 105 HD1 PHE 13 HD1 PHE 13 0.390 -2.721 -1.597 106 HD2 PHE 13 HD2 PHE 13 -3.157 -4.739 -2.947 107 HE1 PHE 13 HE1 PHE 13 -0.557 -2.622 0.690 108 HE2 PHE 13 HE2 PHE 13 -4.110 -4.587 -0.670 109 HZ PHE 13 HZ PHE 13 -2.801 -3.515 1.140 110 H ARG 14 HN ARG 14 -0.043 -6.732 -5.747 111 HA ARG 14 HA ARG 14 2.391 -6.169 -7.187 112 HB2 ARG 14 HB2 ARG 14 -0.207 -7.495 -8.044 113 HB3 ARG 14 HB1 ARG 14 1.210 -7.386 -9.088 114 HG2 ARG 14 HG2 ARG 14 2.544 -8.646 -7.465 115 HG3 ARG 14 HG1 ARG 14 1.179 -8.698 -6.350 116 HD2 ARG 14 HD2 ARG 14 1.286 -10.806 -7.555 117 HD3 ARG 14 HD1 ARG 14 -0.137 -9.914 -8.095 118 HE ARG 14 HE ARG 14 1.840 -9.156 -9.888 119 HH11 ARG 14 HH21 ARG 14 0.525 -12.135 -8.737 120 HH12 ARG 14 HH22 ARG 14 0.815 -12.985 -10.219 121 HH21 ARG 14 HH11 ARG 14 2.223 -10.251 -11.823 122 HH22 ARG 14 HH12 ARG 14 1.776 -11.919 -11.964 123 H ASN 15 HN ASN 15 -0.958 -5.096 -7.474 124 HA ASN 15 HA ASN 15 -0.148 -2.988 -9.455 125 HB2 ASN 15 HB2 ASN 15 -2.768 -2.744 -9.546 126 HB3 ASN 15 HB1 ASN 15 -1.996 -4.064 -10.430 127 HD21 ASN 15 HD21 ASN 15 -4.261 -5.042 -10.137 128 HD22 ASN 15 HD22 ASN 15 -4.553 -5.922 -8.714 129 H GLU 16 HN GLU 16 -0.006 -0.955 -8.699 130 HA GLU 16 HA GLU 16 -0.490 -0.357 -5.956 131 HB2 GLU 16 HB2 GLU 16 1.075 0.988 -7.289 132 HB3 GLU 16 HB1 GLU 16 -0.237 1.502 -8.349 133 HG2 GLU 16 HG2 GLU 16 -1.298 2.741 -6.572 134 HG3 GLU 16 HG1 GLU 16 -0.201 2.063 -5.371 135 H LYS 17 HN LYS 17 -2.536 -0.508 -8.712 136 HA LYS 17 HA LYS 17 -4.611 1.240 -8.054 137 HB2 LYS 17 HB2 LYS 17 -4.346 -0.278 -10.131 138 HB3 LYS 17 HB1 LYS 17 -5.064 -1.545 -9.155 139 HG2 LYS 17 HG2 LYS 17 -7.096 -0.748 -9.888 140 HG3 LYS 17 HG1 LYS 17 -6.863 0.562 -8.744 141 HD2 LYS 17 HD2 LYS 17 -5.937 0.635 -11.642 142 HD3 LYS 17 HD1 LYS 17 -7.452 1.320 -11.064 143 HE2 LYS 17 HE2 LYS 17 -5.967 3.167 -11.091 144 HE3 LYS 17 HE1 LYS 17 -5.976 2.675 -9.400 145 HZ1 LYS 17 HZ1 LYS 17 -3.846 2.045 -9.505 146 HZ2 LYS 17 HZ2 LYS 17 -3.773 2.981 -10.919 147 HZ3 LYS 17 HZ3 LYS 17 -4.024 1.305 -11.021 148 H GLU 18 HN GLU 18 -4.092 -2.115 -6.999 149 HA GLU 18 HA GLU 18 -6.410 -2.231 -5.334 150 HB2 GLU 18 HB2 GLU 18 -3.856 -3.843 -5.328 151 HB3 GLU 18 HB1 GLU 18 -5.268 -4.225 -4.338 152 HG2 GLU 18 HG2 GLU 18 -6.645 -4.512 -6.316 153 HG3 GLU 18 HG1 GLU 18 -5.327 -3.976 -7.356 154 H LEU 19 HN LEU 19 -3.095 -1.169 -4.778 155 HA LEU 19 HA LEU 19 -3.375 -1.002 -1.909 156 HB2 LEU 19 HB2 LEU 19 -1.148 -1.033 -2.752 157 HB3 LEU 19 HB1 LEU 19 -1.481 0.243 -3.899 158 HG LEU 19 HG LEU 19 -1.658 1.856 -2.018 159 HD11 LEU 19 HD11 LEU 19 -0.758 -0.459 -0.313 160 HD12 LEU 19 HD12 LEU 19 -2.350 0.276 -0.229 161 HD13 LEU 19 HD13 LEU 19 -0.927 1.201 0.225 162 HD21 LEU 19 HD21 LEU 19 0.487 1.544 -3.147 163 HD22 LEU 19 HD22 LEU 19 0.875 0.215 -2.057 164 HD23 LEU 19 HD23 LEU 19 0.738 1.858 -1.431 165 H ARG 20 HN ARG 20 -4.081 1.130 -4.622 166 HA ARG 20 HA ARG 20 -4.558 3.530 -3.149 167 HB2 ARG 20 HB2 ARG 20 -4.398 3.377 -5.652 168 HB3 ARG 20 HB1 ARG 20 -5.980 2.599 -5.658 169 HG2 ARG 20 HG2 ARG 20 -6.973 4.591 -4.590 170 HG3 ARG 20 HG1 ARG 20 -5.389 5.370 -4.567 171 HD2 ARG 20 HD2 ARG 20 -5.295 5.203 -7.041 172 HD3 ARG 20 HD1 ARG 20 -6.907 4.487 -7.039 173 HE ARG 20 HE ARG 20 -7.232 6.871 -5.651 174 HH11 ARG 20 HH21 ARG 20 -5.952 5.921 -8.715 175 HH12 ARG 20 HH22 ARG 20 -6.382 7.403 -9.500 176 HH21 ARG 20 HH11 ARG 20 -7.798 8.806 -6.665 177 HH22 ARG 20 HH12 ARG 20 -7.426 9.035 -8.341 178 H ASP 21 HN ASP 21 -6.498 0.738 -3.872 179 HA ASP 21 HA ASP 21 -8.940 1.753 -2.757 180 HB2 ASP 21 HB2 ASP 21 -8.065 -1.061 -3.447 181 HB3 ASP 21 HB1 ASP 21 -9.690 -0.638 -2.911 182 H PHE 22 HN PHE 22 -6.557 -0.665 -1.637 183 HA PHE 22 HA PHE 22 -7.741 -1.009 0.908 184 HB2 PHE 22 HB2 PHE 22 -5.029 -1.527 -0.256 185 HB3 PHE 22 HB1 PHE 22 -5.174 -1.587 1.494 186 HD1 PHE 22 HD2 PHE 22 -7.607 -2.620 -1.174 187 HD2 PHE 22 HD1 PHE 22 -5.077 -3.892 2.062 188 HE1 PHE 22 HE2 PHE 22 -8.524 -4.904 -1.348 189 HE2 PHE 22 HE1 PHE 22 -5.999 -6.172 1.879 190 HZ PHE 22 HZ PHE 22 -7.725 -6.688 0.176 191 H ILE 23 HN ILE 23 -5.760 1.487 -0.414 192 HA ILE 23 HA ILE 23 -4.850 2.645 2.052 193 HB ILE 23 HB ILE 23 -5.070 3.469 -0.808 194 HG12 ILE 23 HG12 ILE 23 -2.910 3.836 1.307 195 HG13 ILE 23 HG11 ILE 23 -2.999 2.505 0.166 196 HG21 ILE 23 HG21 ILE 23 -4.977 5.510 1.415 197 HG22 ILE 23 HG22 ILE 23 -6.112 5.428 0.065 198 HG23 ILE 23 HG23 ILE 23 -4.441 5.866 -0.225 199 HD11 ILE 23 HD11 ILE 23 -2.944 4.360 -1.656 200 HD12 ILE 23 HD12 ILE 23 -1.447 3.963 -0.824 201 HD13 ILE 23 HD13 ILE 23 -2.365 5.395 -0.360 202 H GLU 24 HN GLU 24 -7.709 2.975 0.087 203 HA GLU 24 HA GLU 24 -8.928 5.063 1.596 204 HB2 GLU 24 HB2 GLU 24 -10.213 2.856 -0.033 205 HB3 GLU 24 HB1 GLU 24 -11.123 4.166 0.699 206 HG2 GLU 24 HG2 GLU 24 -8.809 4.623 -1.210 207 HG3 GLU 24 HG1 GLU 24 -10.491 4.543 -1.726 208 H LYS 25 HN LYS 25 -8.527 1.666 2.141 209 HA LYS 25 HA LYS 25 -10.536 1.415 4.227 210 HB2 LYS 25 HB2 LYS 25 -9.263 -0.410 2.753 211 HB3 LYS 25 HB1 LYS 25 -8.103 -0.385 4.074 212 HG2 LYS 25 HG2 LYS 25 -11.069 -1.019 4.257 213 HG3 LYS 25 HG1 LYS 25 -9.728 -2.138 4.491 214 HD2 LYS 25 HD2 LYS 25 -8.980 -0.597 6.417 215 HD3 LYS 25 HD1 LYS 25 -10.564 0.165 6.273 216 HE2 LYS 25 HE2 LYS 25 -10.658 -1.569 7.986 217 HE3 LYS 25 HE1 LYS 25 -11.635 -2.059 6.602 218 HZ1 LYS 25 HZ1 LYS 25 -8.913 -2.874 6.339 219 HZ2 LYS 25 HZ2 LYS 25 -10.332 -3.803 6.240 220 HZ3 LYS 25 HZ3 LYS 25 -9.615 -3.499 7.751 221 H PHE 26 HN PHE 26 -6.957 1.815 4.246 222 HA PHE 26 HA PHE 26 -6.742 1.968 7.110 223 HB2 PHE 26 HB2 PHE 26 -4.885 3.476 5.248 224 HB3 PHE 26 HB1 PHE 26 -4.502 2.694 6.777 225 HD1 PHE 26 HD1 PHE 26 -5.924 -0.004 6.233 226 HD2 PHE 26 HD2 PHE 26 -3.285 2.406 3.826 227 HE1 PHE 26 HE1 PHE 26 -5.193 -2.017 5.009 228 HE2 PHE 26 HE2 PHE 26 -2.564 0.374 2.596 229 HZ PHE 26 HZ PHE 26 -3.514 -1.835 3.197 230 H11A DNS 27 H22 DNS 27 2.192 5.210 5.525 231 H12 DNS 27 H23 DNS 27 2.318 3.469 5.249 232 H13 DNS 27 H24 DNS 27 1.382 4.083 6.630 233 H21 DNS 27 H21 DNS 27 -0.656 2.935 5.923 234 H22 DNS 27 H19 DNS 27 0.308 2.197 4.631 235 H23 DNS 27 H20 DNS 27 -1.180 3.060 4.230 236 H4 DNS 27 H14 DNS 27 -0.745 4.837 7.126 237 H5 DNS 27 H15 DNS 27 -2.139 6.873 7.564 238 H6 DNS 27 H16 DNS 27 -2.504 8.564 5.751 239 HZ DNS 27 HZ1 DNS 27 -4.413 9.269 4.527 240 HE3 DNS 27 HE1 DNS 27 -4.374 9.205 1.900 241 HE2 DNS 27 HE2 DNS 27 -3.990 7.530 2.268 242 HD3 DNS 27 HD1 DNS 27 -6.436 9.094 3.108 243 HD2 DNS 27 HD2 DNS 27 -6.368 7.659 2.084 244 HG3 DNS 27 HG1 DNS 27 -5.561 6.330 3.996 245 HG2 DNS 27 HG2 DNS 27 -5.617 7.763 5.024 246 HB3 DNS 27 HB1 DNS 27 -8.059 7.961 4.552 247 HB2 DNS 27 HB2 DNS 27 -7.978 6.460 3.630 248 HA DNS 27 HA DNS 27 -7.132 6.670 6.538 249 H DNS 27 HN DNS 27 -7.028 4.505 4.621 250 H9 DNS 27 H9 DNS 27 -1.091 8.958 1.169 251 H10 DNS 27 H10 DNS 27 0.298 6.927 0.737 252 H11 DNS 27 H11 DNS 27 0.666 5.242 2.550 253 H GLY 28 HN GLY 28 -9.789 6.891 4.420 254 HA2 GLY 28 HA2 GLY 28 -11.943 5.580 5.428 255 HA3 GLY 28 HA1 GLY 28 -11.673 6.786 6.691 256 H ARG 29 HN ARG 29 -10.967 9.016 5.357 257 HA ARG 29 HA ARG 29 -13.484 9.791 4.031 258 HB2 ARG 29 HB2 ARG 29 -10.971 11.353 4.703 259 HB3 ARG 29 HB1 ARG 29 -12.431 12.059 4.006 260 HG2 ARG 29 HG2 ARG 29 -13.728 11.211 5.955 261 HG3 ARG 29 HG1 ARG 29 -12.232 10.625 6.672 262 HD2 ARG 29 HD2 ARG 29 -11.417 13.120 6.330 263 HD3 ARG 29 HD1 ARG 29 -13.141 13.480 6.275 264 HE ARG 29 HE ARG 29 -11.598 12.980 8.624 265 HH11 ARG 29 HH21 ARG 29 -14.616 12.079 7.203 266 HH12 ARG 29 HH22 ARG 29 -15.269 11.472 8.685 267 HH21 ARG 29 HH11 ARG 29 -12.452 12.216 10.551 268 HH22 ARG 29 HH12 ARG 29 -14.053 11.557 10.576 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 12.008 -1.006 -10.413 2 H2 GLY 1 HT2 GLY 1 13.658 -1.171 -10.044 3 H3 GLY 1 HT3 GLY 1 12.588 -0.533 -8.889 4 HA2 GLY 1 HA2 GLY 1 11.692 -3.146 -9.865 5 HA3 GLY 1 HA1 GLY 1 13.266 -3.125 -9.014 6 H GLN 2 HN GLN 2 13.032 -1.042 -7.251 7 HA GLN 2 HA GLN 2 13.063 -2.942 -5.096 8 HB2 GLN 2 HB2 GLN 2 13.336 -1.047 -3.628 9 HB3 GLN 2 HB1 GLN 2 14.267 -0.732 -5.085 10 HG2 GLN 2 HG2 GLN 2 11.543 0.428 -4.396 11 HG3 GLN 2 HG1 GLN 2 13.072 1.290 -4.460 12 HE21 GLN 2 HE21 GLN 2 10.464 -0.009 -6.416 13 HE22 GLN 2 HE22 GLN 2 11.031 0.586 -7.902 14 H GLN 3 HN GLN 3 11.438 -3.638 -3.769 15 HA GLN 3 HA GLN 3 8.679 -3.022 -4.529 16 HB2 GLN 3 HB2 GLN 3 8.078 -4.625 -2.742 17 HB3 GLN 3 HB1 GLN 3 9.261 -5.299 -3.865 18 HG2 GLN 3 HG2 GLN 3 11.076 -4.625 -2.258 19 HG3 GLN 3 HG1 GLN 3 9.822 -4.148 -1.114 20 HE21 GLN 3 HE21 GLN 3 7.950 -6.268 -1.576 21 HE22 GLN 3 HE22 GLN 3 8.654 -7.724 -1.059 22 H TYR 4 HN TYR 4 7.141 -2.003 -3.214 23 HA TYR 4 HA TYR 4 8.048 0.224 -1.720 24 HB2 TYR 4 HB2 TYR 4 5.253 -0.461 -1.107 25 HB3 TYR 4 HB1 TYR 4 5.871 0.909 -2.002 26 HD1 TYR 4 HD2 TYR 4 7.031 0.082 -4.382 27 HD2 TYR 4 HD1 TYR 4 3.697 -1.742 -2.364 28 HE1 TYR 4 HE2 TYR 4 6.267 -0.908 -6.520 29 HE2 TYR 4 HE1 TYR 4 2.944 -2.720 -4.500 30 HH TYR 4 HH TYR 4 4.274 -1.775 -7.535 31 H THR 5 HN THR 5 8.721 0.306 0.399 32 HA THR 5 HA THR 5 7.975 -1.970 2.248 33 HB THR 5 HB THR 5 10.137 -1.836 3.197 34 HG1 THR 5 HG1 THR 5 11.009 0.034 3.432 35 HG21 THR 5 HG21 THR 5 10.671 -1.117 0.311 36 HG22 THR 5 HG22 THR 5 10.051 -2.699 0.790 37 HG23 THR 5 HG23 THR 5 11.635 -2.162 1.354 38 H ALA 6 HN ALA 6 8.297 1.498 1.904 39 HA ALA 6 HA ALA 6 7.706 2.046 4.753 40 HB1 ALA 6 HB1 ALA 6 7.779 3.964 2.381 41 HB2 ALA 6 HB2 ALA 6 9.200 3.532 3.345 42 HB3 ALA 6 HB3 ALA 6 7.854 4.387 4.097 43 H1 NAL 7 H1 NAL 7 3.368 4.751 -0.295 44 H3 NAL 7 H3 NAL 7 6.740 2.102 -0.352 45 H4 NAL 7 H4 NAL 7 8.118 3.827 -1.488 46 H5 NAL 7 H5 NAL 7 8.325 6.186 -2.515 47 H6 NAL 7 H6 NAL 7 7.290 8.367 -3.070 48 H7 NAL 7 H7 NAL 7 4.919 8.819 -2.490 49 H8 NAL 7 H8 NAL 7 3.556 7.091 -1.351 50 H91 NAL 7 H91 NAL 7 3.130 2.454 0.069 51 H92 NAL 7 H92 NAL 7 4.534 1.404 0.282 52 H10 NAL 7 H10 NAL 7 3.893 3.803 2.038 53 HN1 NAL 7 HN1 NAL 7 6.320 2.659 1.623 54 H ILE 8 HN ILE 8 4.489 0.320 2.379 55 HA ILE 8 HA ILE 8 2.218 0.141 4.245 56 HB ILE 8 HB ILE 8 1.526 -1.961 2.732 57 HG12 ILE 8 HG12 ILE 8 1.734 -1.484 0.326 58 HG13 ILE 8 HG11 ILE 8 2.622 -0.002 0.661 59 HG21 ILE 8 HG21 ILE 8 0.788 0.870 1.903 60 HG22 ILE 8 HG22 ILE 8 0.071 0.009 3.272 61 HG23 ILE 8 HG23 ILE 8 -0.166 -0.589 1.632 62 HD11 ILE 8 HD11 ILE 8 3.949 -2.131 -0.017 63 HD12 ILE 8 HD12 ILE 8 3.665 -2.668 1.630 64 HD13 ILE 8 HD13 ILE 8 4.553 -1.166 1.325 65 H LYS 9 HN LYS 9 2.641 -1.276 5.784 66 HA LYS 9 HA LYS 9 5.246 -2.508 5.913 67 HB2 LYS 9 HB2 LYS 9 4.152 -1.430 7.889 68 HB3 LYS 9 HB1 LYS 9 2.987 -2.757 7.910 69 HG2 LYS 9 HG2 LYS 9 4.756 -4.377 8.289 70 HG3 LYS 9 HG1 LYS 9 5.991 -3.131 8.100 71 HD2 LYS 9 HD2 LYS 9 5.102 -1.948 10.077 72 HD3 LYS 9 HD1 LYS 9 3.876 -3.201 10.273 73 HE2 LYS 9 HE2 LYS 9 6.874 -3.650 10.369 74 HE3 LYS 9 HE1 LYS 9 5.801 -3.604 11.767 75 HZ1 LYS 9 HZ1 LYS 9 4.543 -5.453 10.705 76 HZ2 LYS 9 HZ2 LYS 9 6.122 -5.864 11.177 77 HZ3 LYS 9 HZ3 LYS 9 5.772 -5.564 9.542 78 H GLY 10 HN GLY 10 5.517 -4.340 4.716 79 HA2 GLY 10 HA2 GLY 10 5.364 -6.620 4.213 80 HA3 GLY 10 HA1 GLY 10 4.260 -6.780 5.573 81 H ARG 11 HN ARG 11 2.498 -4.626 4.165 82 HA ARG 11 HA ARG 11 1.006 -6.604 2.495 83 HB2 ARG 11 HB2 ARG 11 0.338 -3.927 3.750 84 HB3 ARG 11 HB1 ARG 11 -0.677 -4.569 2.463 85 HG2 ARG 11 HG2 ARG 11 -1.641 -5.240 4.573 86 HG3 ARG 11 HG1 ARG 11 -0.958 -6.675 3.817 87 HD2 ARG 11 HD2 ARG 11 0.984 -6.590 5.247 88 HD3 ARG 11 HD1 ARG 11 0.514 -5.010 5.877 89 HE ARG 11 HE ARG 11 -1.646 -6.639 6.488 90 HH11 ARG 11 HH21 ARG 11 1.766 -6.714 7.018 91 HH12 ARG 11 HH22 ARG 11 1.646 -7.581 8.512 92 HH21 ARG 11 HH11 ARG 11 -1.815 -7.769 8.433 93 HH22 ARG 11 HH12 ARG 11 -0.380 -8.178 9.313 94 H THR 12 HN THR 12 2.093 -6.647 0.500 95 HA THR 12 HA THR 12 2.487 -4.077 -0.921 96 HB THR 12 HB THR 12 3.821 -5.983 -2.441 97 HG1 THR 12 HG1 THR 12 3.278 -7.122 -0.152 98 HG21 THR 12 HG21 THR 12 5.879 -5.101 -1.406 99 HG22 THR 12 HG22 THR 12 4.926 -4.417 -0.087 100 HG23 THR 12 HG23 THR 12 4.727 -3.803 -1.727 101 H PHE 13 HN PHE 13 1.994 -4.088 -3.233 102 HA PHE 13 HA PHE 13 -0.227 -5.964 -3.997 103 HB2 PHE 13 HB2 PHE 13 -0.154 -2.962 -4.428 104 HB3 PHE 13 HB1 PHE 13 -1.472 -4.055 -4.859 105 HD1 PHE 13 HD1 PHE 13 0.516 -2.742 -1.964 106 HD2 PHE 13 HD2 PHE 13 -3.115 -4.673 -3.230 107 HE1 PHE 13 HE1 PHE 13 -0.389 -2.597 0.341 108 HE2 PHE 13 HE2 PHE 13 -4.012 -4.484 -0.935 109 HZ PHE 13 HZ PHE 13 -2.641 -3.435 0.842 110 H ARG 14 HN ARG 14 -0.031 -6.747 -6.044 111 HA ARG 14 HA ARG 14 2.345 -6.256 -7.581 112 HB2 ARG 14 HB2 ARG 14 0.857 -8.322 -7.800 113 HB3 ARG 14 HB1 ARG 14 -0.294 -7.313 -8.672 114 HG2 ARG 14 HG2 ARG 14 0.938 -8.257 -10.441 115 HG3 ARG 14 HG1 ARG 14 1.779 -6.730 -10.214 116 HD2 ARG 14 HD2 ARG 14 3.363 -8.611 -10.430 117 HD3 ARG 14 HD1 ARG 14 3.489 -7.874 -8.837 118 HE ARG 14 HE ARG 14 1.647 -9.928 -8.490 119 HH11 ARG 14 HH21 ARG 14 4.863 -9.617 -9.713 120 HH12 ARG 14 HH22 ARG 14 5.336 -11.216 -9.243 121 HH21 ARG 14 HH11 ARG 14 2.252 -12.014 -7.875 122 HH22 ARG 14 HH12 ARG 14 3.858 -12.571 -8.204 123 H ASN 15 HN ASN 15 -0.962 -5.051 -7.791 124 HA ASN 15 HA ASN 15 -0.095 -2.935 -9.745 125 HB2 ASN 15 HB2 ASN 15 -2.756 -2.632 -9.758 126 HB3 ASN 15 HB1 ASN 15 -1.976 -3.835 -10.787 127 HD21 ASN 15 HD21 ASN 15 -4.091 -5.005 -10.661 128 HD22 ASN 15 HD22 ASN 15 -4.415 -5.984 -9.313 129 H GLU 16 HN GLU 16 0.099 -0.916 -8.958 130 HA GLU 16 HA GLU 16 -0.353 -0.359 -6.196 131 HB2 GLU 16 HB2 GLU 16 0.041 1.466 -8.589 132 HB3 GLU 16 HB1 GLU 16 -0.113 2.084 -6.944 133 HG2 GLU 16 HG2 GLU 16 1.834 0.742 -6.247 134 HG3 GLU 16 HG1 GLU 16 1.990 0.108 -7.886 135 H LYS 17 HN LYS 17 -2.408 -0.406 -8.940 136 HA LYS 17 HA LYS 17 -4.424 1.392 -8.229 137 HB2 LYS 17 HB2 LYS 17 -4.109 -0.250 -10.317 138 HB3 LYS 17 HB1 LYS 17 -5.163 -1.301 -9.386 139 HG2 LYS 17 HG2 LYS 17 -6.733 -0.091 -10.659 140 HG3 LYS 17 HG1 LYS 17 -6.693 0.842 -9.167 141 HD2 LYS 17 HD2 LYS 17 -6.450 2.566 -10.739 142 HD3 LYS 17 HD1 LYS 17 -4.757 2.197 -10.434 143 HE2 LYS 17 HE2 LYS 17 -5.120 2.346 -12.836 144 HE3 LYS 17 HE1 LYS 17 -4.786 0.666 -12.425 145 HZ1 LYS 17 HZ1 LYS 17 -6.923 0.044 -12.808 146 HZ2 LYS 17 HZ2 LYS 17 -6.819 1.328 -13.916 147 HZ3 LYS 17 HZ3 LYS 17 -7.571 1.560 -12.409 148 H GLU 18 HN GLU 18 -4.011 -2.016 -7.280 149 HA GLU 18 HA GLU 18 -6.329 -2.133 -5.631 150 HB2 GLU 18 HB2 GLU 18 -3.790 -3.769 -5.614 151 HB3 GLU 18 HB1 GLU 18 -5.219 -4.159 -4.654 152 HG2 GLU 18 HG2 GLU 18 -5.269 -3.838 -7.669 153 HG3 GLU 18 HG1 GLU 18 -5.060 -5.390 -6.859 154 H LEU 19 HN LEU 19 -3.059 -1.032 -5.070 155 HA LEU 19 HA LEU 19 -3.277 -0.957 -2.177 156 HB2 LEU 19 HB2 LEU 19 -1.083 -1.025 -3.082 157 HB3 LEU 19 HB1 LEU 19 -1.421 0.265 -4.210 158 HG LEU 19 HG LEU 19 -1.559 1.826 -2.213 159 HD11 LEU 19 HD11 LEU 19 -1.940 0.054 -0.492 160 HD12 LEU 19 HD12 LEU 19 -0.591 1.117 -0.112 161 HD13 LEU 19 HD13 LEU 19 -0.287 -0.486 -0.767 162 HD21 LEU 19 HD21 LEU 19 1.040 0.359 -2.646 163 HD22 LEU 19 HD22 LEU 19 0.879 1.965 -1.937 164 HD23 LEU 19 HD23 LEU 19 0.440 1.697 -3.625 165 H ARG 20 HN ARG 20 -3.853 1.361 -4.812 166 HA ARG 20 HA ARG 20 -4.307 3.670 -3.211 167 HB2 ARG 20 HB2 ARG 20 -4.133 3.627 -5.724 168 HB3 ARG 20 HB1 ARG 20 -5.752 2.931 -5.772 169 HG2 ARG 20 HG2 ARG 20 -6.625 4.922 -4.568 170 HG3 ARG 20 HG1 ARG 20 -5.006 5.623 -4.583 171 HD2 ARG 20 HD2 ARG 20 -6.578 4.841 -7.053 172 HD3 ARG 20 HD1 ARG 20 -6.416 6.488 -6.440 173 HE ARG 20 HE ARG 20 -3.794 5.618 -6.718 174 HH11 ARG 20 HH21 ARG 20 -6.592 5.806 -8.736 175 HH12 ARG 20 HH22 ARG 20 -5.684 6.032 -10.194 176 HH21 ARG 20 HH11 ARG 20 -2.602 5.911 -8.612 177 HH22 ARG 20 HH12 ARG 20 -3.428 6.091 -10.124 178 H ASP 21 HN ASP 21 -6.370 1.018 -4.133 179 HA ASP 21 HA ASP 21 -8.765 2.063 -2.948 180 HB2 ASP 21 HB2 ASP 21 -8.861 0.441 -4.798 181 HB3 ASP 21 HB1 ASP 21 -8.084 -0.768 -3.780 182 H PHE 22 HN PHE 22 -6.524 -0.561 -2.013 183 HA PHE 22 HA PHE 22 -7.760 -1.063 0.474 184 HB2 PHE 22 HB2 PHE 22 -5.077 -1.636 -0.728 185 HB3 PHE 22 HB1 PHE 22 -5.216 -1.814 1.017 186 HD1 PHE 22 HD2 PHE 22 -7.621 -2.519 -1.773 187 HD2 PHE 22 HD1 PHE 22 -5.362 -4.131 1.509 188 HE1 PHE 22 HE2 PHE 22 -8.692 -4.723 -2.110 189 HE2 PHE 22 HE1 PHE 22 -6.436 -6.325 1.169 190 HZ PHE 22 HZ PHE 22 -8.105 -6.631 -0.640 191 H ILE 23 HN ILE 23 -5.652 1.435 -0.597 192 HA ILE 23 HA ILE 23 -4.726 2.324 1.979 193 HB ILE 23 HB ILE 23 -4.862 3.412 -0.807 194 HG12 ILE 23 HG12 ILE 23 -2.685 3.423 1.325 195 HG13 ILE 23 HG11 ILE 23 -2.878 2.188 0.086 196 HG21 ILE 23 HG21 ILE 23 -4.650 5.205 1.614 197 HG22 ILE 23 HG22 ILE 23 -5.754 5.350 0.243 198 HG23 ILE 23 HG23 ILE 23 -4.046 5.685 0.029 199 HD11 ILE 23 HD11 ILE 23 -2.551 3.940 -1.652 200 HD12 ILE 23 HD12 ILE 23 -1.152 3.760 -0.602 201 HD13 ILE 23 HD13 ILE 23 -2.257 5.115 -0.376 202 H GLU 24 HN GLU 24 -7.517 2.963 -0.014 203 HA GLU 24 HA GLU 24 -8.656 4.995 1.627 204 HB2 GLU 24 HB2 GLU 24 -10.013 3.017 -0.223 205 HB3 GLU 24 HB1 GLU 24 -10.863 4.322 0.590 206 HG2 GLU 24 HG2 GLU 24 -9.399 5.975 -0.493 207 HG3 GLU 24 HG1 GLU 24 -8.520 4.681 -1.304 208 H LYS 25 HN LYS 25 -8.500 1.535 1.916 209 HA LYS 25 HA LYS 25 -10.602 1.305 3.924 210 HB2 LYS 25 HB2 LYS 25 -9.806 -0.592 2.453 211 HB3 LYS 25 HB1 LYS 25 -8.313 -0.617 3.387 212 HG2 LYS 25 HG2 LYS 25 -9.633 -1.022 5.455 213 HG3 LYS 25 HG1 LYS 25 -11.107 -1.062 4.486 214 HD2 LYS 25 HD2 LYS 25 -10.264 -2.976 3.223 215 HD3 LYS 25 HD1 LYS 25 -8.738 -2.913 4.103 216 HE2 LYS 25 HE2 LYS 25 -10.334 -4.636 4.994 217 HE3 LYS 25 HE1 LYS 25 -9.853 -3.434 6.192 218 HZ1 LYS 25 HZ1 LYS 25 -12.415 -4.083 5.472 219 HZ2 LYS 25 HZ2 LYS 25 -12.134 -2.592 4.707 220 HZ3 LYS 25 HZ3 LYS 25 -11.936 -2.738 6.388 221 H PHE 26 HN PHE 26 -7.004 1.355 4.058 222 HA PHE 26 HA PHE 26 -6.840 1.162 6.909 223 HB2 PHE 26 HB2 PHE 26 -4.880 2.794 5.265 224 HB3 PHE 26 HB1 PHE 26 -4.565 1.850 6.715 225 HD1 PHE 26 HD1 PHE 26 -6.066 -0.727 5.871 226 HD2 PHE 26 HD2 PHE 26 -3.280 1.811 3.781 227 HE1 PHE 26 HE1 PHE 26 -5.368 -2.635 4.472 228 HE2 PHE 26 HE2 PHE 26 -2.596 -0.117 2.370 229 HZ PHE 26 HZ PHE 26 -3.635 -2.338 2.731 230 H11A DNS 27 H22 DNS 27 5.273 5.116 5.080 231 H12 DNS 27 H23 DNS 27 5.234 4.943 3.323 232 H13 DNS 27 H24 DNS 27 3.771 4.621 4.279 233 H21 DNS 27 H21 DNS 27 5.131 8.499 3.411 234 H22 DNS 27 H19 DNS 27 5.750 7.050 2.597 235 H23 DNS 27 H20 DNS 27 6.240 7.398 4.258 236 H4 DNS 27 H14 DNS 27 4.104 5.989 1.434 237 H5 DNS 27 H15 DNS 27 2.036 6.261 0.045 238 H6 DNS 27 H16 DNS 27 -0.043 7.223 1.059 239 HZ DNS 27 HZ1 DNS 27 -3.347 9.440 3.529 240 HE3 DNS 27 HE1 DNS 27 -2.786 6.784 4.478 241 HE2 DNS 27 HE2 DNS 27 -3.132 7.969 5.725 242 HD3 DNS 27 HD1 DNS 27 -5.219 8.587 4.528 243 HD2 DNS 27 HD2 DNS 27 -4.888 7.321 3.345 244 HG3 DNS 27 HG1 DNS 27 -5.015 5.605 5.048 245 HG2 DNS 27 HG2 DNS 27 -5.127 6.811 6.329 246 HB3 DNS 27 HB1 DNS 27 -7.271 7.605 5.370 247 HB2 DNS 27 HB2 DNS 27 -7.173 6.346 4.137 248 HA DNS 27 HA DNS 27 -7.185 5.825 7.128 249 H DNS 27 HN DNS 27 -6.900 4.037 4.791 250 H9 DNS 27 H9 DNS 27 -1.203 8.896 5.427 251 H10 DNS 27 H10 DNS 27 0.858 8.612 6.799 252 H11 DNS 27 H11 DNS 27 2.924 7.630 5.787 253 H GLY 28 HN GLY 28 -9.132 6.512 7.897 254 HA2 GLY 28 HA2 GLY 28 -11.454 6.921 6.254 255 HA3 GLY 28 HA1 GLY 28 -11.593 5.388 7.115 256 H ARG 29 HN ARG 29 -10.512 8.711 7.898 257 HA ARG 29 HA ARG 29 -12.137 8.588 10.437 258 HB2 ARG 29 HB2 ARG 29 -9.623 10.201 9.887 259 HB3 ARG 29 HB1 ARG 29 -10.491 10.115 11.414 260 HG2 ARG 29 HG2 ARG 29 -9.322 7.642 10.091 261 HG3 ARG 29 HG1 ARG 29 -8.377 8.643 11.185 262 HD2 ARG 29 HD2 ARG 29 -10.934 7.150 11.847 263 HD3 ARG 29 HD1 ARG 29 -9.321 6.820 12.460 264 HE ARG 29 HE ARG 29 -9.782 9.441 13.230 265 HH11 ARG 29 HH21 ARG 29 -11.423 6.420 13.561 266 HH12 ARG 29 HH22 ARG 29 -12.148 6.832 15.079 267 HH21 ARG 29 HH11 ARG 29 -10.722 9.989 15.208 268 HH22 ARG 29 HH12 ARG 29 -11.751 8.851 16.010 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 10.994 3.313 -9.083 2 H2 GLY 1 HT2 GLY 1 11.034 3.047 -10.760 3 H3 GLY 1 HT3 GLY 1 12.465 3.421 -9.923 4 HA2 GLY 1 HA2 GLY 1 11.191 0.851 -10.433 5 HA3 GLY 1 HA1 GLY 1 12.751 1.225 -9.642 6 H GLN 2 HN GLN 2 12.099 2.754 -7.492 7 HA GLN 2 HA GLN 2 12.890 0.599 -5.762 8 HB2 GLN 2 HB2 GLN 2 13.370 3.027 -5.344 9 HB3 GLN 2 HB1 GLN 2 11.661 3.259 -4.974 10 HG2 GLN 2 HG2 GLN 2 11.801 1.681 -3.122 11 HG3 GLN 2 HG1 GLN 2 13.473 1.300 -3.533 12 HE21 GLN 2 HE21 GLN 2 15.102 3.045 -3.211 13 HE22 GLN 2 HE22 GLN 2 14.784 4.310 -2.127 14 H GLN 3 HN GLN 3 11.584 -1.001 -5.032 15 HA GLN 3 HA GLN 3 8.712 -0.902 -5.336 16 HB2 GLN 3 HB2 GLN 3 8.739 -3.039 -4.047 17 HB3 GLN 3 HB1 GLN 3 9.842 -3.046 -5.422 18 HG2 GLN 3 HG2 GLN 3 11.714 -2.445 -3.889 19 HG3 GLN 3 HG1 GLN 3 10.597 -2.546 -2.528 20 HE21 GLN 3 HE21 GLN 3 11.153 -4.469 -1.465 21 HE22 GLN 3 HE22 GLN 3 11.322 -5.976 -2.229 22 H TYR 4 HN TYR 4 7.143 -0.759 -3.705 23 HA TYR 4 HA TYR 4 7.625 1.157 -1.685 24 HB2 TYR 4 HB2 TYR 4 5.221 -0.493 -1.216 25 HB3 TYR 4 HB1 TYR 4 5.314 1.211 -1.584 26 HD1 TYR 4 HD2 TYR 4 6.440 1.507 -4.154 27 HD2 TYR 4 HD1 TYR 4 3.840 -1.637 -2.780 28 HE1 TYR 4 HE2 TYR 4 5.728 1.068 -6.484 29 HE2 TYR 4 HE1 TYR 4 3.136 -2.064 -5.113 30 HH TYR 4 HH TYR 4 4.396 -1.582 -7.536 31 H THR 5 HN THR 5 8.669 0.832 0.262 32 HA THR 5 HA THR 5 8.569 -1.909 1.538 33 HB THR 5 HB THR 5 10.780 -1.572 2.331 34 HG1 THR 5 HG1 THR 5 11.625 0.349 2.614 35 HG21 THR 5 HG21 THR 5 12.066 -1.330 0.344 36 HG22 THR 5 HG22 THR 5 10.900 -0.212 -0.356 37 HG23 THR 5 HG23 THR 5 10.501 -1.925 -0.216 38 H ALA 6 HN ALA 6 8.252 1.535 2.023 39 HA ALA 6 HA ALA 6 7.876 1.230 4.974 40 HB1 ALA 6 HB1 ALA 6 7.843 3.742 3.250 41 HB2 ALA 6 HB2 ALA 6 9.291 3.101 4.039 42 HB3 ALA 6 HB3 ALA 6 7.933 3.665 5.013 43 H1 NAL 7 H1 NAL 7 3.341 4.935 0.984 44 H3 NAL 7 H3 NAL 7 6.516 2.294 -0.169 45 H4 NAL 7 H4 NAL 7 7.798 4.194 -1.126 46 H5 NAL 7 H5 NAL 7 7.978 6.719 -1.635 47 H6 NAL 7 H6 NAL 7 6.996 8.991 -1.531 48 H7 NAL 7 H7 NAL 7 4.770 9.351 -0.494 49 H8 NAL 7 H8 NAL 7 3.501 7.439 0.447 50 H91 NAL 7 H91 NAL 7 3.038 2.575 0.753 51 H92 NAL 7 H92 NAL 7 4.447 1.513 0.686 52 H10 NAL 7 H10 NAL 7 3.934 3.565 2.876 53 HN1 NAL 7 HN1 NAL 7 6.339 2.587 2.144 54 H ILE 8 HN ILE 8 4.494 0.078 2.461 55 HA ILE 8 HA ILE 8 2.366 -0.462 4.454 56 HB ILE 8 HB ILE 8 1.510 -2.218 2.604 57 HG12 ILE 8 HG12 ILE 8 1.480 -1.178 0.350 58 HG13 ILE 8 HG11 ILE 8 2.522 0.114 0.914 59 HG21 ILE 8 HG21 ILE 8 0.762 0.724 2.475 60 HG22 ILE 8 HG22 ILE 8 0.131 -0.426 3.663 61 HG23 ILE 8 HG23 ILE 8 -0.234 -0.637 1.950 62 HD11 ILE 8 HD11 ILE 8 3.564 -1.862 -0.378 63 HD12 ILE 8 HD12 ILE 8 3.363 -2.778 1.099 64 HD13 ILE 8 HD13 ILE 8 4.383 -1.326 1.088 65 H LYS 9 HN LYS 9 3.390 -1.724 5.845 66 HA LYS 9 HA LYS 9 5.557 -3.500 4.992 67 HB2 LYS 9 HB2 LYS 9 5.805 -2.026 7.003 68 HB3 LYS 9 HB1 LYS 9 4.543 -2.972 7.793 69 HG2 LYS 9 HG2 LYS 9 5.887 -4.994 7.634 70 HG3 LYS 9 HG1 LYS 9 7.116 -4.146 6.694 71 HD2 LYS 9 HD2 LYS 9 7.539 -2.643 8.610 72 HD3 LYS 9 HD1 LYS 9 6.324 -3.509 9.552 73 HE2 LYS 9 HE2 LYS 9 8.614 -4.306 10.068 74 HE3 LYS 9 HE1 LYS 9 7.625 -5.583 9.361 75 HZ1 LYS 9 HZ1 LYS 9 8.890 -5.660 7.536 76 HZ2 LYS 9 HZ2 LYS 9 10.059 -4.862 8.477 77 HZ3 LYS 9 HZ3 LYS 9 9.050 -3.975 7.436 78 H GLY 10 HN GLY 10 5.365 -5.679 4.834 79 HA2 GLY 10 HA2 GLY 10 4.559 -7.853 5.284 80 HA3 GLY 10 HA1 GLY 10 3.342 -7.167 6.353 81 H ARG 11 HN ARG 11 2.600 -5.296 3.953 82 HA ARG 11 HA ARG 11 1.161 -7.333 2.271 83 HB2 ARG 11 HB2 ARG 11 -0.302 -6.368 4.115 84 HB3 ARG 11 HB1 ARG 11 -0.113 -4.802 3.343 85 HG2 ARG 11 HG2 ARG 11 -2.174 -5.724 2.525 86 HG3 ARG 11 HG1 ARG 11 -1.015 -5.833 1.208 87 HD2 ARG 11 HD2 ARG 11 -0.850 -8.177 1.386 88 HD3 ARG 11 HD1 ARG 11 -1.358 -8.191 3.076 89 HE ARG 11 HE ARG 11 -3.574 -7.226 1.705 90 HH11 ARG 11 HH21 ARG 11 -1.518 -9.997 1.536 91 HH12 ARG 11 HH22 ARG 11 -2.764 -11.045 0.943 92 HH21 ARG 11 HH11 ARG 11 -5.203 -8.582 0.930 93 HH22 ARG 11 HH12 ARG 11 -4.847 -10.245 0.600 94 H THR 12 HN THR 12 2.377 -6.942 0.433 95 HA THR 12 HA THR 12 2.514 -4.184 -0.623 96 HB THR 12 HB THR 12 4.023 -5.804 -2.348 97 HG1 THR 12 HG1 THR 12 4.579 -7.478 -1.257 98 HG21 THR 12 HG21 THR 12 5.992 -4.801 -1.222 99 HG22 THR 12 HG22 THR 12 4.954 -4.272 0.102 100 HG23 THR 12 HG23 THR 12 4.725 -3.608 -1.515 101 H PHE 13 HN PHE 13 2.043 -3.944 -2.955 102 HA PHE 13 HA PHE 13 -0.069 -5.874 -3.902 103 HB2 PHE 13 HB2 PHE 13 -0.016 -2.860 -4.219 104 HB3 PHE 13 HB1 PHE 13 -1.310 -3.949 -4.727 105 HD1 PHE 13 HD1 PHE 13 0.552 -2.644 -1.765 106 HD2 PHE 13 HD2 PHE 13 -2.935 -4.733 -3.151 107 HE1 PHE 13 HE1 PHE 13 -0.405 -2.602 0.528 108 HE2 PHE 13 HE2 PHE 13 -3.897 -4.649 -0.873 109 HZ PHE 13 HZ PHE 13 -2.623 -3.571 0.957 110 H ARG 14 HN ARG 14 0.203 -6.597 -5.948 111 HA ARG 14 HA ARG 14 2.560 -5.841 -7.475 112 HB2 ARG 14 HB2 ARG 14 1.493 -8.116 -7.658 113 HB3 ARG 14 HB1 ARG 14 0.098 -7.361 -8.433 114 HG2 ARG 14 HG2 ARG 14 1.509 -6.566 -10.267 115 HG3 ARG 14 HG1 ARG 14 2.944 -7.223 -9.479 116 HD2 ARG 14 HD2 ARG 14 1.973 -9.495 -9.624 117 HD3 ARG 14 HD1 ARG 14 0.561 -8.830 -10.445 118 HE ARG 14 HE ARG 14 2.702 -7.961 -11.986 119 HH11 ARG 14 HH21 ARG 14 1.546 -10.987 -10.788 120 HH12 ARG 14 HH22 ARG 14 2.157 -11.899 -12.127 121 HH21 ARG 14 HH11 ARG 14 3.504 -9.139 -13.738 122 HH22 ARG 14 HH12 ARG 14 3.265 -10.854 -13.795 123 H ASN 15 HN ASN 15 -0.859 -5.073 -7.491 124 HA ASN 15 HA ASN 15 -0.478 -3.045 -9.668 125 HB2 ASN 15 HB2 ASN 15 -3.234 -3.356 -8.650 126 HB3 ASN 15 HB1 ASN 15 -2.647 -3.492 -10.308 127 HD21 ASN 15 HD21 ASN 15 -4.431 -5.242 -8.355 128 HD22 ASN 15 HD22 ASN 15 -3.848 -6.810 -8.641 129 H GLU 16 HN GLU 16 -0.299 -0.947 -9.006 130 HA GLU 16 HA GLU 16 -0.443 -0.278 -6.204 131 HB2 GLU 16 HB2 GLU 16 0.994 0.989 -7.762 132 HB3 GLU 16 HB1 GLU 16 -0.423 1.511 -8.671 133 HG2 GLU 16 HG2 GLU 16 -1.243 2.802 -6.798 134 HG3 GLU 16 HG1 GLU 16 -0.006 2.134 -5.735 135 H LYS 17 HN LYS 17 -2.791 -0.447 -8.749 136 HA LYS 17 HA LYS 17 -4.693 1.379 -7.726 137 HB2 LYS 17 HB2 LYS 17 -4.645 -0.791 -9.724 138 HB3 LYS 17 HB1 LYS 17 -6.198 -0.718 -8.902 139 HG2 LYS 17 HG2 LYS 17 -6.368 0.698 -10.829 140 HG3 LYS 17 HG1 LYS 17 -6.260 1.765 -9.430 141 HD2 LYS 17 HD2 LYS 17 -3.818 2.023 -9.846 142 HD3 LYS 17 HD1 LYS 17 -3.970 0.999 -11.273 143 HE2 LYS 17 HE2 LYS 17 -5.314 3.676 -10.816 144 HE3 LYS 17 HE1 LYS 17 -4.039 3.319 -11.982 145 HZ1 LYS 17 HZ1 LYS 17 -6.848 2.915 -12.203 146 HZ2 LYS 17 HZ2 LYS 17 -5.999 1.470 -12.481 147 HZ3 LYS 17 HZ3 LYS 17 -5.655 2.853 -13.407 148 H GLU 18 HN GLU 18 -4.286 -2.122 -7.154 149 HA GLU 18 HA GLU 18 -6.402 -2.424 -5.353 150 HB2 GLU 18 HB2 GLU 18 -4.981 -4.230 -6.447 151 HB3 GLU 18 HB1 GLU 18 -3.755 -3.880 -5.235 152 HG2 GLU 18 HG2 GLU 18 -5.045 -5.717 -4.394 153 HG3 GLU 18 HG1 GLU 18 -5.535 -4.299 -3.472 154 H LEU 19 HN LEU 19 -3.173 -1.135 -4.958 155 HA LEU 19 HA LEU 19 -3.299 -1.048 -2.050 156 HB2 LEU 19 HB2 LEU 19 -1.107 -1.057 -2.973 157 HB3 LEU 19 HB1 LEU 19 -1.494 0.207 -4.116 158 HG LEU 19 HG LEU 19 -1.642 1.822 -2.209 159 HD11 LEU 19 HD11 LEU 19 -0.770 1.173 -0.019 160 HD12 LEU 19 HD12 LEU 19 -0.577 -0.476 -0.584 161 HD13 LEU 19 HD13 LEU 19 -2.185 0.202 -0.406 162 HD21 LEU 19 HD21 LEU 19 0.784 1.890 -1.758 163 HD22 LEU 19 HD22 LEU 19 0.443 1.586 -3.460 164 HD23 LEU 19 HD23 LEU 19 0.933 0.259 -2.411 165 H ARG 20 HN ARG 20 -4.086 1.099 -4.739 166 HA ARG 20 HA ARG 20 -4.569 3.483 -3.238 167 HB2 ARG 20 HB2 ARG 20 -4.452 3.317 -5.757 168 HB3 ARG 20 HB1 ARG 20 -6.048 2.571 -5.724 169 HG2 ARG 20 HG2 ARG 20 -6.933 4.596 -4.560 170 HG3 ARG 20 HG1 ARG 20 -5.342 5.344 -4.714 171 HD2 ARG 20 HD2 ARG 20 -7.010 4.357 -7.044 172 HD3 ARG 20 HD1 ARG 20 -6.909 6.040 -6.527 173 HE ARG 20 HE ARG 20 -4.259 5.290 -6.900 174 HH11 ARG 20 HH21 ARG 20 -7.163 5.235 -8.770 175 HH12 ARG 20 HH22 ARG 20 -6.346 5.433 -10.285 176 HH21 ARG 20 HH11 ARG 20 -3.184 5.549 -8.867 177 HH22 ARG 20 HH12 ARG 20 -4.095 5.611 -10.339 178 H ASP 21 HN ASP 21 -6.509 0.687 -3.983 179 HA ASP 21 HA ASP 21 -8.928 1.665 -2.789 180 HB2 ASP 21 HB2 ASP 21 -8.980 -0.084 -4.520 181 HB3 ASP 21 HB1 ASP 21 -8.098 -1.172 -3.451 182 H PHE 22 HN PHE 22 -6.503 -0.754 -1.752 183 HA PHE 22 HA PHE 22 -7.627 -1.147 0.812 184 HB2 PHE 22 HB2 PHE 22 -4.945 -1.627 -0.426 185 HB3 PHE 22 HB1 PHE 22 -5.034 -1.702 1.324 186 HD1 PHE 22 HD1 PHE 22 -7.597 -2.722 -1.212 187 HD2 PHE 22 HD2 PHE 22 -4.826 -4.024 1.813 188 HE1 PHE 22 HE1 PHE 22 -8.491 -5.016 -1.374 189 HE2 PHE 22 HE2 PHE 22 -5.731 -6.314 1.645 190 HZ PHE 22 HZ PHE 22 -7.564 -6.820 0.053 191 H ILE 23 HN ILE 23 -5.711 1.393 -0.512 192 HA ILE 23 HA ILE 23 -4.767 2.516 1.966 193 HB ILE 23 HB ILE 23 -5.022 3.380 -0.884 194 HG12 ILE 23 HG12 ILE 23 -2.819 3.741 1.187 195 HG13 ILE 23 HG11 ILE 23 -2.946 2.379 0.085 196 HG21 ILE 23 HG21 ILE 23 -6.033 5.333 0.020 197 HG22 ILE 23 HG22 ILE 23 -4.352 5.764 -0.244 198 HG23 ILE 23 HG23 ILE 23 -4.910 5.372 1.382 199 HD11 ILE 23 HD11 ILE 23 -1.340 4.029 -0.763 200 HD12 ILE 23 HD12 ILE 23 -2.587 5.274 -0.727 201 HD13 ILE 23 HD13 ILE 23 -2.730 3.914 -1.831 202 H GLU 24 HN GLU 24 -7.645 2.841 0.028 203 HA GLU 24 HA GLU 24 -8.850 4.937 1.529 204 HB2 GLU 24 HB2 GLU 24 -10.148 2.725 -0.082 205 HB3 GLU 24 HB1 GLU 24 -11.050 4.045 0.644 206 HG2 GLU 24 HG2 GLU 24 -8.736 4.480 -1.271 207 HG3 GLU 24 HG1 GLU 24 -10.419 4.401 -1.786 208 H LYS 25 HN LYS 25 -8.497 1.525 2.116 209 HA LYS 25 HA LYS 25 -10.501 1.399 4.240 210 HB2 LYS 25 HB2 LYS 25 -9.825 -0.627 2.991 211 HB3 LYS 25 HB1 LYS 25 -8.188 -0.463 3.620 212 HG2 LYS 25 HG2 LYS 25 -8.913 -0.863 5.877 213 HG3 LYS 25 HG1 LYS 25 -10.611 -0.732 5.422 214 HD2 LYS 25 HD2 LYS 25 -10.030 -3.085 5.686 215 HD3 LYS 25 HD1 LYS 25 -10.362 -2.751 3.988 216 HE2 LYS 25 HE2 LYS 25 -8.052 -2.823 3.411 217 HE3 LYS 25 HE1 LYS 25 -7.539 -2.662 5.092 218 HZ1 LYS 25 HZ1 LYS 25 -7.662 -4.841 5.372 219 HZ2 LYS 25 HZ2 LYS 25 -7.881 -4.996 3.696 220 HZ3 LYS 25 HZ3 LYS 25 -9.228 -4.921 4.728 221 H PHE 26 HN PHE 26 -6.905 1.593 4.179 222 HA PHE 26 HA PHE 26 -6.590 1.659 7.024 223 HB2 PHE 26 HB2 PHE 26 -4.793 3.221 5.142 224 HB3 PHE 26 HB1 PHE 26 -4.363 2.434 6.654 225 HD1 PHE 26 HD1 PHE 26 -5.781 -0.279 6.107 226 HD2 PHE 26 HD2 PHE 26 -3.195 2.184 3.694 227 HE1 PHE 26 HE1 PHE 26 -5.040 -2.271 4.857 228 HE2 PHE 26 HE2 PHE 26 -2.469 0.170 2.436 229 HZ PHE 26 HZ PHE 26 -3.386 -2.054 3.027 230 H11A DNS 27 H22 DNS 27 1.583 2.424 7.875 231 H12 DNS 27 H23 DNS 27 0.935 2.350 6.233 232 H13 DNS 27 H24 DNS 27 0.004 3.148 7.519 233 H21 DNS 27 H21 DNS 27 2.983 3.353 5.401 234 H22 DNS 27 H19 DNS 27 3.632 3.493 7.046 235 H23 DNS 27 H20 DNS 27 3.510 4.931 6.026 236 H4 DNS 27 H14 DNS 27 1.013 3.497 4.276 237 H5 DNS 27 H15 DNS 27 -0.349 4.905 2.713 238 H6 DNS 27 H16 DNS 27 -1.190 7.146 3.450 239 HZ DNS 27 HZ1 DNS 27 -3.553 8.213 5.487 240 HE3 DNS 27 HE1 DNS 27 -3.237 8.578 2.748 241 HE2 DNS 27 HE2 DNS 27 -3.311 6.855 3.075 242 HD3 DNS 27 HD1 DNS 27 -5.336 8.941 3.895 243 HD2 DNS 27 HD2 DNS 27 -5.547 7.656 2.706 244 HG3 DNS 27 HG1 DNS 27 -5.134 5.990 4.558 245 HG2 DNS 27 HG2 DNS 27 -5.166 7.334 5.700 246 HB3 DNS 27 HB1 DNS 27 -7.451 7.911 4.948 247 HB2 DNS 27 HB2 DNS 27 -7.424 6.547 3.829 248 HA DNS 27 HA DNS 27 -7.087 6.321 6.837 249 H DNS 27 HN DNS 27 -6.891 4.330 4.672 250 H9 DNS 27 H9 DNS 27 -0.875 9.708 7.509 251 H10 DNS 27 H10 DNS 27 0.486 8.302 9.061 252 H11 DNS 27 H11 DNS 27 1.342 6.069 8.321 253 H GLY 28 HN GLY 28 -9.014 7.609 7.192 254 HA2 GLY 28 HA2 GLY 28 -11.477 6.055 7.041 255 HA3 GLY 28 HA1 GLY 28 -11.316 7.684 7.698 256 H ARG 29 HN ARG 29 -10.480 9.215 5.693 257 HA ARG 29 HA ARG 29 -12.784 9.276 3.866 258 HB2 ARG 29 HB2 ARG 29 -10.390 11.070 4.344 259 HB3 ARG 29 HB1 ARG 29 -11.292 11.246 2.845 260 HG2 ARG 29 HG2 ARG 29 -12.137 12.793 4.555 261 HG3 ARG 29 HG1 ARG 29 -13.368 11.614 4.113 262 HD2 ARG 29 HD2 ARG 29 -11.556 11.179 6.499 263 HD3 ARG 29 HD1 ARG 29 -13.056 12.093 6.630 264 HE ARG 29 HE ARG 29 -13.792 9.720 5.363 265 HH11 ARG 29 HH21 ARG 29 -12.190 10.640 8.281 266 HH12 ARG 29 HH22 ARG 29 -12.738 9.258 9.170 267 HH21 ARG 29 HH11 ARG 29 -14.512 7.917 6.511 268 HH22 ARG 29 HH12 ARG 29 -14.051 7.718 8.170 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 6.444 3.434 -9.415 2 H2 GLY 1 HT2 GLY 1 6.630 3.413 -11.103 3 H3 GLY 1 HT3 GLY 1 7.252 4.707 -10.195 4 HA2 GLY 1 HA2 GLY 1 8.382 2.048 -10.803 5 HA3 GLY 1 HA1 GLY 1 9.161 3.532 -10.177 6 H GLN 2 HN GLN 2 8.023 4.346 -7.979 7 HA GLN 2 HA GLN 2 10.267 3.420 -6.429 8 HB2 GLN 2 HB2 GLN 2 9.090 5.611 -6.079 9 HB3 GLN 2 HB1 GLN 2 7.715 4.721 -5.423 10 HG2 GLN 2 HG2 GLN 2 9.092 3.818 -3.631 11 HG3 GLN 2 HG1 GLN 2 10.538 4.553 -4.325 12 HE21 GLN 2 HE21 GLN 2 9.385 5.107 -1.639 13 HE22 GLN 2 HE22 GLN 2 9.013 6.763 -1.619 14 H GLN 3 HN GLN 3 10.423 1.380 -5.629 15 HA GLN 3 HA GLN 3 8.141 -0.373 -5.360 16 HB2 GLN 3 HB2 GLN 3 10.910 -0.668 -4.155 17 HB3 GLN 3 HB1 GLN 3 9.723 -1.955 -4.381 18 HG2 GLN 3 HG2 GLN 3 9.796 -1.580 -6.829 19 HG3 GLN 3 HG1 GLN 3 11.015 -0.327 -6.592 20 HE21 GLN 3 HE21 GLN 3 11.386 -2.874 -8.068 21 HE22 GLN 3 HE22 GLN 3 12.626 -3.711 -7.266 22 H TYR 4 HN TYR 4 6.980 -0.898 -3.517 23 HA TYR 4 HA TYR 4 6.865 1.012 -1.423 24 HB2 TYR 4 HB2 TYR 4 5.641 -1.593 -0.740 25 HB3 TYR 4 HB1 TYR 4 4.871 -0.020 -0.882 26 HD1 TYR 4 HD1 TYR 4 6.148 -2.940 -2.817 27 HD2 TYR 4 HD2 TYR 4 3.643 0.562 -2.879 28 HE1 TYR 4 HE1 TYR 4 5.237 -3.622 -5.018 29 HE2 TYR 4 HE2 TYR 4 2.738 -0.132 -5.073 30 HH TYR 4 HH TYR 4 3.588 -3.238 -6.526 31 H THR 5 HN THR 5 8.261 1.181 0.292 32 HA THR 5 HA THR 5 9.630 -1.314 1.308 33 HB THR 5 HB THR 5 11.506 0.138 1.939 34 HG1 THR 5 HG1 THR 5 11.230 2.202 1.987 35 HG21 THR 5 HG21 THR 5 10.712 0.619 -0.938 36 HG22 THR 5 HG22 THR 5 11.394 -0.895 -0.346 37 HG23 THR 5 HG23 THR 5 12.349 0.587 -0.288 38 H ALA 6 HN ALA 6 7.862 1.597 2.110 39 HA ALA 6 HA ALA 6 7.919 0.873 5.041 40 HB1 ALA 6 HB1 ALA 6 9.016 3.066 4.449 41 HB2 ALA 6 HB2 ALA 6 7.614 3.243 5.506 42 HB3 ALA 6 HB3 ALA 6 7.471 3.610 3.783 43 H1 NAL 7 H1 NAL 7 2.920 4.657 1.630 44 H3 NAL 7 H3 NAL 7 6.107 2.209 0.129 45 H4 NAL 7 H4 NAL 7 7.169 4.178 -0.937 46 H5 NAL 7 H5 NAL 7 7.157 6.713 -1.426 47 H6 NAL 7 H6 NAL 7 6.069 8.925 -1.185 48 H7 NAL 7 H7 NAL 7 3.948 9.151 0.085 49 H8 NAL 7 H8 NAL 7 2.892 7.161 1.124 50 H91 NAL 7 H91 NAL 7 2.724 2.252 1.321 51 H92 NAL 7 H92 NAL 7 4.194 1.285 1.168 52 H10 NAL 7 H10 NAL 7 3.646 3.270 3.410 53 HN1 NAL 7 HN1 NAL 7 6.079 2.782 2.753 54 H ILE 8 HN ILE 8 4.326 -0.177 2.845 55 HA ILE 8 HA ILE 8 2.327 -0.876 4.920 56 HB ILE 8 HB ILE 8 1.451 -2.574 3.008 57 HG12 ILE 8 HG12 ILE 8 1.277 -1.430 0.827 58 HG13 ILE 8 HG11 ILE 8 2.237 -0.089 1.425 59 HG21 ILE 8 HG21 ILE 8 0.050 -0.925 4.248 60 HG22 ILE 8 HG22 ILE 8 -0.387 -1.031 2.541 61 HG23 ILE 8 HG23 ILE 8 0.576 0.334 3.119 62 HD11 ILE 8 HD11 ILE 8 3.300 -2.908 1.390 63 HD12 ILE 8 HD12 ILE 8 4.209 -1.402 1.493 64 HD13 ILE 8 HD13 ILE 8 3.414 -1.857 -0.010 65 H LYS 9 HN LYS 9 3.381 -2.231 6.187 66 HA LYS 9 HA LYS 9 5.548 -3.927 5.154 67 HB2 LYS 9 HB2 LYS 9 5.910 -2.520 7.194 68 HB3 LYS 9 HB1 LYS 9 4.691 -3.491 8.022 69 HG2 LYS 9 HG2 LYS 9 6.020 -5.505 7.728 70 HG3 LYS 9 HG1 LYS 9 7.195 -4.632 6.745 71 HD2 LYS 9 HD2 LYS 9 7.708 -3.173 8.686 72 HD3 LYS 9 HD1 LYS 9 6.577 -4.105 9.667 73 HE2 LYS 9 HE2 LYS 9 8.889 -4.888 10.019 74 HE3 LYS 9 HE1 LYS 9 7.907 -6.146 9.267 75 HZ1 LYS 9 HZ1 LYS 9 10.275 -5.075 8.320 76 HZ2 LYS 9 HZ2 LYS 9 9.061 -4.486 7.289 77 HZ3 LYS 9 HZ3 LYS 9 9.245 -6.160 7.519 78 H GLY 10 HN GLY 10 5.446 -6.147 5.127 79 HA2 GLY 10 HA2 GLY 10 4.620 -8.319 5.540 80 HA3 GLY 10 HA1 GLY 10 3.395 -7.629 6.601 81 H ARG 11 HN ARG 11 2.690 -5.738 4.237 82 HA ARG 11 HA ARG 11 1.262 -7.719 2.475 83 HB2 ARG 11 HB2 ARG 11 0.020 -5.224 3.683 84 HB3 ARG 11 HB1 ARG 11 -0.780 -6.386 2.624 85 HG2 ARG 11 HG2 ARG 11 -0.474 -8.153 4.307 86 HG3 ARG 11 HG1 ARG 11 0.364 -7.015 5.364 87 HD2 ARG 11 HD2 ARG 11 -1.955 -7.191 6.081 88 HD3 ARG 11 HD1 ARG 11 -1.690 -5.591 5.387 89 HE ARG 11 HE ARG 11 -2.578 -7.112 3.241 90 HH11 ARG 11 HH21 ARG 11 -3.692 -6.400 6.432 91 HH12 ARG 11 HH22 ARG 11 -5.368 -6.534 6.016 92 HH21 ARG 11 HH11 ARG 11 -4.760 -7.288 2.688 93 HH22 ARG 11 HH12 ARG 11 -5.972 -7.035 3.899 94 H THR 12 HN THR 12 2.558 -7.260 0.664 95 HA THR 12 HA THR 12 2.771 -4.456 -0.216 96 HB THR 12 HB THR 12 4.287 -5.987 -2.005 97 HG1 THR 12 HG1 THR 12 5.538 -7.176 -0.301 98 HG21 THR 12 HG21 THR 12 5.228 -4.703 0.587 99 HG22 THR 12 HG22 THR 12 4.967 -3.850 -0.933 100 HG23 THR 12 HG23 THR 12 6.235 -5.071 -0.816 101 H PHE 13 HN PHE 13 2.402 -3.983 -2.471 102 HA PHE 13 HA PHE 13 0.102 -5.572 -3.582 103 HB2 PHE 13 HB2 PHE 13 0.790 -2.622 -3.687 104 HB3 PHE 13 HB1 PHE 13 -0.532 -3.353 -4.597 105 HD1 PHE 13 HD1 PHE 13 0.821 -2.997 -1.105 106 HD2 PHE 13 HD2 PHE 13 -2.643 -3.615 -3.559 107 HE1 PHE 13 HE1 PHE 13 -0.631 -2.855 0.893 108 HE2 PHE 13 HE2 PHE 13 -4.086 -3.479 -1.565 109 HZ PHE 13 HZ PHE 13 -3.074 -3.075 0.652 110 H ARG 14 HN ARG 14 0.294 -6.328 -5.627 111 HA ARG 14 HA ARG 14 2.805 -5.881 -7.106 112 HB2 ARG 14 HB2 ARG 14 2.064 -7.594 -8.591 113 HB3 ARG 14 HB1 ARG 14 1.498 -8.108 -7.005 114 HG2 ARG 14 HG2 ARG 14 -0.741 -6.998 -7.595 115 HG3 ARG 14 HG1 ARG 14 -0.129 -6.849 -9.239 116 HD2 ARG 14 HD2 ARG 14 -1.465 -8.898 -9.003 117 HD3 ARG 14 HD1 ARG 14 0.222 -9.295 -9.328 118 HE ARG 14 HE ARG 14 0.048 -9.279 -6.552 119 HH11 ARG 14 HH21 ARG 14 -1.595 -10.838 -9.161 120 HH12 ARG 14 HH22 ARG 14 -1.969 -12.260 -8.247 121 HH21 ARG 14 HH11 ARG 14 -0.434 -11.128 -5.351 122 HH22 ARG 14 HH12 ARG 14 -1.312 -12.424 -6.093 123 H ASN 15 HN ASN 15 -0.641 -5.130 -7.422 124 HA ASN 15 HA ASN 15 -0.043 -3.142 -9.591 125 HB2 ASN 15 HB2 ASN 15 -2.674 -3.172 -9.699 126 HB3 ASN 15 HB1 ASN 15 -1.761 -4.471 -10.471 127 HD21 ASN 15 HD21 ASN 15 -3.947 -5.610 -10.092 128 HD22 ASN 15 HD22 ASN 15 -4.148 -6.416 -8.612 129 H GLU 16 HN GLU 16 -0.127 -1.041 -9.058 130 HA GLU 16 HA GLU 16 -0.684 -0.202 -6.387 131 HB2 GLU 16 HB2 GLU 16 -0.585 1.379 -8.979 132 HB3 GLU 16 HB1 GLU 16 -0.709 2.120 -7.385 133 HG2 GLU 16 HG2 GLU 16 1.622 2.122 -8.018 134 HG3 GLU 16 HG1 GLU 16 1.411 0.924 -6.744 135 H LYS 17 HN LYS 17 -2.678 -0.855 -9.102 136 HA LYS 17 HA LYS 17 -4.907 0.757 -8.630 137 HB2 LYS 17 HB2 LYS 17 -4.485 -0.901 -10.551 138 HB3 LYS 17 HB1 LYS 17 -5.097 -2.149 -9.475 139 HG2 LYS 17 HG2 LYS 17 -7.205 -0.879 -9.200 140 HG3 LYS 17 HG1 LYS 17 -6.609 0.353 -10.307 141 HD2 LYS 17 HD2 LYS 17 -6.747 -2.553 -11.179 142 HD3 LYS 17 HD1 LYS 17 -8.182 -1.535 -11.249 143 HE2 LYS 17 HE2 LYS 17 -6.883 0.104 -12.650 144 HE3 LYS 17 HE1 LYS 17 -5.552 -1.050 -12.688 145 HZ1 LYS 17 HZ1 LYS 17 -6.708 -2.492 -13.987 146 HZ2 LYS 17 HZ2 LYS 17 -7.373 -1.030 -14.540 147 HZ3 LYS 17 HZ3 LYS 17 -8.225 -1.986 -13.423 148 H GLU 18 HN GLU 18 -4.189 -2.475 -7.278 149 HA GLU 18 HA GLU 18 -6.521 -2.500 -5.606 150 HB2 GLU 18 HB2 GLU 18 -3.971 -4.116 -5.653 151 HB3 GLU 18 HB1 GLU 18 -5.180 -4.369 -4.394 152 HG2 GLU 18 HG2 GLU 18 -5.818 -4.480 -7.359 153 HG3 GLU 18 HG1 GLU 18 -5.391 -5.902 -6.407 154 H LEU 19 HN LEU 19 -3.266 -1.256 -5.205 155 HA LEU 19 HA LEU 19 -3.444 -0.904 -2.338 156 HB2 LEU 19 HB2 LEU 19 -1.288 -0.965 -3.458 157 HB3 LEU 19 HB1 LEU 19 -1.726 0.429 -4.423 158 HG LEU 19 HG LEU 19 -1.955 1.625 -2.105 159 HD11 LEU 19 HD11 LEU 19 -1.660 -0.527 -0.806 160 HD12 LEU 19 HD12 LEU 19 -0.621 0.803 -0.312 161 HD13 LEU 19 HD13 LEU 19 0.028 -0.492 -1.312 162 HD21 LEU 19 HD21 LEU 19 0.440 2.227 -2.140 163 HD22 LEU 19 HD22 LEU 19 -0.258 2.219 -3.759 164 HD23 LEU 19 HD23 LEU 19 0.741 0.869 -3.224 165 H ARG 20 HN ARG 20 -4.289 1.079 -5.148 166 HA ARG 20 HA ARG 20 -4.819 3.520 -3.768 167 HB2 ARG 20 HB2 ARG 20 -4.744 3.269 -6.262 168 HB3 ARG 20 HB1 ARG 20 -6.281 2.410 -6.181 169 HG2 ARG 20 HG2 ARG 20 -7.369 4.379 -5.214 170 HG3 ARG 20 HG1 ARG 20 -5.830 5.241 -5.183 171 HD2 ARG 20 HD2 ARG 20 -5.689 5.032 -7.653 172 HD3 ARG 20 HD1 ARG 20 -7.264 4.239 -7.658 173 HE ARG 20 HE ARG 20 -7.722 6.628 -6.318 174 HH11 ARG 20 HH21 ARG 20 -6.360 5.686 -9.349 175 HH12 ARG 20 HH22 ARG 20 -6.852 7.132 -10.167 176 HH21 ARG 20 HH11 ARG 20 -8.367 8.516 -7.372 177 HH22 ARG 20 HH12 ARG 20 -7.986 8.732 -9.048 178 H ASP 21 HN ASP 21 -6.729 0.654 -4.333 179 HA ASP 21 HA ASP 21 -9.134 1.676 -3.134 180 HB2 ASP 21 HB2 ASP 21 -9.227 -0.123 -4.802 181 HB3 ASP 21 HB1 ASP 21 -8.307 -1.177 -3.733 182 H PHE 22 HN PHE 22 -6.714 -0.745 -2.059 183 HA PHE 22 HA PHE 22 -7.773 -1.073 0.527 184 HB2 PHE 22 HB2 PHE 22 -5.074 -1.505 -0.704 185 HB3 PHE 22 HB1 PHE 22 -5.179 -1.569 1.049 186 HD1 PHE 22 HD1 PHE 22 -7.583 -2.691 -1.608 187 HD2 PHE 22 HD2 PHE 22 -5.061 -3.862 1.676 188 HE1 PHE 22 HE1 PHE 22 -8.441 -4.998 -1.765 189 HE2 PHE 22 HE2 PHE 22 -5.928 -6.163 1.510 190 HZ PHE 22 HZ PHE 22 -7.619 -6.743 -0.208 191 H ILE 23 HN ILE 23 -5.968 1.485 -0.874 192 HA ILE 23 HA ILE 23 -5.034 2.708 1.573 193 HB ILE 23 HB ILE 23 -5.294 3.464 -1.311 194 HG12 ILE 23 HG12 ILE 23 -3.070 3.959 0.702 195 HG13 ILE 23 HG11 ILE 23 -3.217 2.484 -0.249 196 HG21 ILE 23 HG21 ILE 23 -6.298 5.443 -0.456 197 HG22 ILE 23 HG22 ILE 23 -4.615 5.859 -0.749 198 HG23 ILE 23 HG23 ILE 23 -5.163 5.521 0.893 199 HD11 ILE 23 HD11 ILE 23 -2.955 5.267 -1.424 200 HD12 ILE 23 HD12 ILE 23 -2.976 3.752 -2.315 201 HD13 ILE 23 HD13 ILE 23 -1.628 4.122 -1.250 202 H GLU 24 HN GLU 24 -7.891 2.838 -0.399 203 HA GLU 24 HA GLU 24 -9.199 4.970 0.905 204 HB2 GLU 24 HB2 GLU 24 -10.986 4.440 -0.464 205 HB3 GLU 24 HB1 GLU 24 -9.847 3.316 -1.194 206 HG2 GLU 24 HG2 GLU 24 -10.685 1.573 0.473 207 HG3 GLU 24 HG1 GLU 24 -11.950 2.714 0.908 208 H LYS 25 HN LYS 25 -8.720 1.634 1.812 209 HA LYS 25 HA LYS 25 -10.608 1.684 4.056 210 HB2 LYS 25 HB2 LYS 25 -8.330 -0.222 3.415 211 HB3 LYS 25 HB1 LYS 25 -9.493 -0.451 4.715 212 HG2 LYS 25 HG2 LYS 25 -11.332 -0.393 2.992 213 HG3 LYS 25 HG1 LYS 25 -10.089 -0.359 1.742 214 HD2 LYS 25 HD2 LYS 25 -9.167 -2.487 2.621 215 HD3 LYS 25 HD1 LYS 25 -10.460 -2.533 3.819 216 HE2 LYS 25 HE2 LYS 25 -10.883 -2.479 0.816 217 HE3 LYS 25 HE1 LYS 25 -10.982 -3.924 1.822 218 HZ1 LYS 25 HZ1 LYS 25 -12.742 -2.835 3.104 219 HZ2 LYS 25 HZ2 LYS 25 -13.166 -3.011 1.468 220 HZ3 LYS 25 HZ3 LYS 25 -12.676 -1.497 2.064 221 H PHE 26 HN PHE 26 -7.021 1.879 3.779 222 HA PHE 26 HA PHE 26 -6.547 2.185 6.579 223 HB2 PHE 26 HB2 PHE 26 -4.887 3.597 4.469 224 HB3 PHE 26 HB1 PHE 26 -4.357 2.961 6.020 225 HD1 PHE 26 HD1 PHE 26 -5.862 0.184 5.710 226 HD2 PHE 26 HD2 PHE 26 -3.252 2.446 3.131 227 HE1 PHE 26 HE1 PHE 26 -5.151 -1.896 4.593 228 HE2 PHE 26 HE2 PHE 26 -2.554 0.344 2.009 229 HZ PHE 26 HZ PHE 26 -3.502 -1.823 2.749 230 H11A DNS 27 H22 DNS 27 0.526 4.124 7.049 231 H12 DNS 27 H23 DNS 27 1.551 4.687 5.725 232 H13 DNS 27 H24 DNS 27 1.493 2.958 6.127 233 H21 DNS 27 H21 DNS 27 -1.712 3.020 6.447 234 H22 DNS 27 H19 DNS 27 -0.562 1.776 5.920 235 H23 DNS 27 H20 DNS 27 -1.805 2.349 4.804 236 H4 DNS 27 H14 DNS 27 -1.533 5.145 6.998 237 H5 DNS 27 H15 DNS 27 -2.693 7.316 6.530 238 H6 DNS 27 H16 DNS 27 -2.697 8.269 4.216 239 HZ DNS 27 HZ1 DNS 27 -3.735 7.650 2.995 240 HE3 DNS 27 HE1 DNS 27 -4.747 9.783 2.589 241 HE2 DNS 27 HE2 DNS 27 -4.841 9.361 0.889 242 HD3 DNS 27 HD1 DNS 27 -6.978 9.014 2.119 243 HD2 DNS 27 HD2 DNS 27 -6.368 7.544 1.361 244 HG3 DNS 27 HG1 DNS 27 -5.574 6.673 3.447 245 HG2 DNS 27 HG2 DNS 27 -5.771 8.228 4.258 246 HB3 DNS 27 HB1 DNS 27 -8.202 8.083 4.014 247 HB2 DNS 27 HB2 DNS 27 -8.047 6.566 3.128 248 HA DNS 27 HA DNS 27 -6.941 6.877 5.935 249 H DNS 27 HN DNS 27 -7.016 4.686 4.062 250 H9 DNS 27 H9 DNS 27 -0.856 6.855 -0.021 251 H10 DNS 27 H10 DNS 27 0.291 4.694 0.465 252 H11 DNS 27 H11 DNS 27 0.293 3.759 2.782 253 H GLY 28 HN GLY 28 -8.376 6.921 7.610 254 HA2 GLY 28 HA2 GLY 28 -11.130 7.412 7.255 255 HA3 GLY 28 HA1 GLY 28 -10.962 5.682 7.555 256 H ARG 29 HN ARG 29 -9.044 5.470 9.424 257 HA ARG 29 HA ARG 29 -10.348 6.389 11.828 258 HB2 ARG 29 HB2 ARG 29 -7.550 5.268 11.468 259 HB3 ARG 29 HB1 ARG 29 -8.414 5.401 12.997 260 HG2 ARG 29 HG2 ARG 29 -9.322 3.767 10.608 261 HG3 ARG 29 HG1 ARG 29 -8.549 3.107 12.042 262 HD2 ARG 29 HD2 ARG 29 -10.572 4.419 13.266 263 HD3 ARG 29 HD1 ARG 29 -11.354 4.134 11.713 264 HE ARG 29 HE ARG 29 -11.014 2.213 13.774 265 HH11 ARG 29 HH21 ARG 29 -10.497 2.508 10.371 266 HH12 ARG 29 HH22 ARG 29 -10.404 0.802 10.113 267 HH21 ARG 29 HH11 ARG 29 -10.921 -0.003 13.440 268 HH22 ARG 29 HH12 ARG 29 -10.655 -0.618 11.843
Contact the webmaster for help, if required. Monday, June 3, 2024 2:26:05 PM GMT (wattos1)