NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
5584 | 1hp2 | 4924 | cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H VAL 1 HT1 VAL 1 -3.964 8.899 1.108 2 2H VAL 1 HT2 VAL 1 -3.713 7.219 1.168 3 3H VAL 1 HT3 VAL 1 -3.038 8.138 -0.092 4 HA VAL 1 HA VAL 1 -1.587 9.283 1.473 5 HB VAL 1 HB VAL 1 -3.347 9.102 3.268 6 1HG1 VAL 1 HG11 VAL 1 -2.836 6.297 2.799 7 2HG1 VAL 1 HG12 VAL 1 -4.103 7.041 3.774 8 3HG1 VAL 1 HG13 VAL 1 -2.530 6.688 4.490 9 1HG2 VAL 1 HG21 VAL 1 -1.771 9.377 4.923 10 2HG2 VAL 1 HG22 VAL 1 -0.686 9.408 3.533 11 3HG2 VAL 1 HG23 VAL 1 -0.884 7.923 4.464 12 H PHE 2 HN PHE 2 0.370 8.119 2.512 13 HA PHE 2 HA PHE 2 0.679 5.383 1.310 14 1HB PHE 2 HB2 PHE 2 2.781 7.543 1.664 15 2HB PHE 2 HB1 PHE 2 2.955 6.036 0.765 16 HD1 PHE 2 HD1 PHE 2 2.455 5.970 -1.517 17 HD2 PHE 2 HD2 PHE 2 0.875 9.146 0.898 18 HE1 PHE 2 HE1 PHE 2 1.568 7.072 -3.554 19 HE2 PHE 2 HE2 PHE 2 -0.013 10.251 -1.134 20 HZ PHE 2 HZ PHE 2 0.334 9.217 -3.363 21 H ILE 3 HN ILE 3 2.531 4.160 2.424 22 HA ILE 3 HA ILE 3 2.674 4.853 5.338 23 HB ILE 3 HB ILE 3 2.123 2.618 5.891 24 1HG1 ILE 3 HG12 ILE 3 2.883 2.020 3.028 25 2HG1 ILE 3 HG11 ILE 3 3.574 1.351 4.504 26 1HG2 ILE 3 HG21 ILE 3 0.533 3.267 3.388 27 2HG2 ILE 3 HG22 ILE 3 0.179 3.865 5.009 28 3HG2 ILE 3 HG23 ILE 3 0.041 2.143 4.656 29 1HD1 ILE 3 HD11 ILE 3 0.902 0.738 3.244 30 2HD1 ILE 3 HD12 ILE 3 1.213 0.390 4.945 31 3HD1 ILE 3 HD13 ILE 3 2.186 -0.383 3.695 32 H ASN 4 HN ASN 4 4.694 4.436 6.303 33 HA ASN 4 HA ASN 4 7.011 4.345 4.598 34 1HB ASN 4 HB2 ASN 4 8.192 4.460 6.683 35 2HB ASN 4 HB1 ASN 4 6.696 5.362 6.924 36 1HD2 ASN 4 HD21 ASN 4 5.198 4.565 8.479 37 2HD2 ASN 4 HD22 ASN 4 5.465 3.161 9.396 38 H ALA 5 HN ALA 5 4.974 1.866 5.823 39 HA ALA 5 HA ALA 5 6.575 -0.326 6.368 40 1HB ALA 5 HB1 ALA 5 4.023 -0.070 6.144 41 2HB ALA 5 HB2 ALA 5 4.704 -1.616 5.638 42 3HB ALA 5 HB3 ALA 5 4.252 -0.413 4.429 43 H LYS 6 HN LYS 6 8.518 -0.631 5.267 44 HA LYS 6 HA LYS 6 9.077 -0.080 2.559 45 1HB LYS 6 HB2 LYS 6 10.129 -2.035 4.600 46 2HB LYS 6 HB1 LYS 6 10.825 -1.962 2.981 47 1HG LYS 6 HG2 LYS 6 12.166 -0.405 4.042 48 2HG LYS 6 HG1 LYS 6 10.857 0.649 3.503 49 1HD LYS 6 HD2 LYS 6 9.876 0.736 5.634 50 2HD LYS 6 HD1 LYS 6 10.703 -0.724 6.177 51 1HE LYS 6 HE2 LYS 6 12.513 1.475 5.365 52 2HE LYS 6 HE1 LYS 6 11.542 1.799 6.815 53 1HZ LYS 6 HZ1 LYS 6 13.132 -0.664 6.322 54 2HZ LYS 6 HZ2 LYS 6 12.200 -0.344 7.705 55 3HZ LYS 6 HZ3 LYS 6 13.576 0.593 7.370 56 H CYS 7 HN CYS 7 7.218 -0.798 1.301 57 HA CYS 7 HA CYS 7 6.399 -3.593 1.284 58 1HB CYS 7 HB2 CYS 7 5.055 -2.804 -0.662 59 2HB CYS 7 HB1 CYS 7 4.904 -1.718 0.721 60 H ARG 8 HN ARG 8 6.796 -5.102 -0.469 61 HA ARG 8 HA ARG 8 9.166 -4.417 -2.177 62 1HB ARG 8 HB2 ARG 8 8.501 -6.938 -0.628 63 2HB ARG 8 HB1 ARG 8 9.839 -6.810 -1.771 64 1HG ARG 8 HG2 ARG 8 9.643 -4.716 0.344 65 2HG ARG 8 HG1 ARG 8 10.169 -6.325 0.843 66 1HD ARG 8 HD2 ARG 8 11.412 -4.782 -1.461 67 2HD ARG 8 HD1 ARG 8 12.088 -4.846 0.180 68 HE ARG 8 HE ARG 8 11.919 -7.442 -0.202 69 1HH1 ARG 8 HH11 ARG 8 11.406 -6.047 -3.124 70 2HH1 ARG 8 HH12 ARG 8 12.828 -6.653 -3.905 71 1HH2 ARG 8 HH21 ARG 8 14.274 -7.800 -0.970 72 2HH2 ARG 8 HH22 ARG 8 14.451 -7.647 -2.686 73 H GLY 9 HN GLY 9 5.942 -5.539 -2.075 74 1HA GLY 9 HA2 GLY 9 6.167 -6.368 -4.923 75 2HA GLY 9 HA1 GLY 9 5.369 -7.458 -3.792 76 H SER 10 HN SER 10 4.577 -5.473 -6.137 77 HA SER 10 HA SER 10 2.802 -3.505 -5.266 78 1HB SER 10 HB2 SER 10 2.658 -3.473 -7.518 79 2HB SER 10 HB1 SER 10 3.353 -5.088 -7.608 80 HG SER 10 HG SER 10 0.884 -4.373 -8.128 81 HA PRO 11 HA PRO 11 -0.680 -6.887 -4.988 82 1HB PRO 11 HB2 PRO 11 0.625 -9.388 -4.424 83 2HB PRO 11 HB1 PRO 11 -0.370 -8.969 -5.820 84 1HG PRO 11 HG2 PRO 11 2.453 -9.387 -5.767 85 2HG PRO 11 HG1 PRO 11 1.465 -8.884 -7.141 86 1HD PRO 11 HD2 PRO 11 3.333 -7.299 -5.590 87 2HD PRO 11 HD1 PRO 11 2.428 -6.819 -7.046 88 H GLU 12 HN GLU 12 2.273 -6.858 -3.125 89 HA GLU 12 HA GLU 12 1.126 -7.897 -0.655 90 1HB GLU 12 HB2 GLU 12 3.649 -7.211 -1.737 91 2HB GLU 12 HB1 GLU 12 3.427 -6.170 -0.330 92 1HG GLU 12 HG2 GLU 12 4.255 -8.010 0.766 93 2HG GLU 12 HG1 GLU 12 2.558 -8.489 0.724 94 H CYS 13 HN CYS 13 1.501 -4.736 -2.162 95 HA CYS 13 HA CYS 13 0.905 -3.126 0.152 96 1HB CYS 13 HB2 CYS 13 1.370 -2.866 -2.703 97 2HB CYS 13 HB1 CYS 13 0.061 -1.804 -2.188 98 H LEU 14 HN LEU 14 -1.072 -5.006 -2.032 99 HA LEU 14 HA LEU 14 -3.559 -3.619 -1.701 100 1HB LEU 14 HB2 LEU 14 -2.517 -6.057 -2.843 101 2HB LEU 14 HB1 LEU 14 -4.026 -6.397 -1.994 102 HG LEU 14 HG LEU 14 -4.918 -4.272 -3.205 103 1HD1 LEU 14 HD11 LEU 14 -3.152 -4.887 -5.464 104 2HD1 LEU 14 HD12 LEU 14 -2.294 -4.183 -4.092 105 3HD1 LEU 14 HD13 LEU 14 -3.649 -3.321 -4.821 106 1HD2 LEU 14 HD21 LEU 14 -5.688 -6.561 -3.684 107 2HD2 LEU 14 HD22 LEU 14 -4.293 -6.821 -4.731 108 3HD2 LEU 14 HD23 LEU 14 -5.526 -5.643 -5.181 109 HA PRO 15 HA PRO 15 -4.439 -6.794 1.876 110 1HB PRO 15 HB2 PRO 15 -1.874 -7.736 2.782 111 2HB PRO 15 HB1 PRO 15 -3.200 -8.687 2.105 112 1HG PRO 15 HG2 PRO 15 -0.686 -7.996 0.865 113 2HG PRO 15 HG1 PRO 15 -1.980 -9.015 0.226 114 1HD PRO 15 HD2 PRO 15 -1.244 -6.399 -0.663 115 2HD PRO 15 HD1 PRO 15 -2.637 -7.369 -1.200 116 H LYS 16 HN LYS 16 -1.423 -4.952 1.713 117 HA LYS 16 HA LYS 16 -1.351 -4.143 4.490 118 1HB LYS 16 HB2 LYS 16 -0.174 -3.011 1.931 119 2HB LYS 16 HB1 LYS 16 0.281 -2.476 3.549 120 1HG LYS 16 HG2 LYS 16 0.370 -5.405 2.940 121 2HG LYS 16 HG1 LYS 16 1.665 -4.374 2.327 122 1HD LYS 16 HD2 LYS 16 0.784 -4.301 5.217 123 2HD LYS 16 HD1 LYS 16 2.039 -5.402 4.645 124 1HE LYS 16 HE2 LYS 16 3.529 -3.707 4.873 125 2HE LYS 16 HE1 LYS 16 2.674 -2.847 3.577 126 1HZ LYS 16 HZ1 LYS 16 0.991 -2.276 5.392 127 2HZ LYS 16 HZ2 LYS 16 2.467 -1.434 5.401 128 3HZ LYS 16 HZ3 LYS 16 2.206 -2.710 6.493 129 H CYS 17 HN CYS 17 -2.246 -2.308 1.523 130 HA CYS 17 HA CYS 17 -3.189 0.041 2.735 131 1HB CYS 17 HB2 CYS 17 -4.161 -1.531 0.326 132 2HB CYS 17 HB1 CYS 17 -4.682 0.116 0.679 133 H LYS 18 HN LYS 18 -4.985 -2.962 2.039 134 HA LYS 18 HA LYS 18 -7.497 -2.190 3.138 135 1HB LYS 18 HB2 LYS 18 -7.251 -4.173 1.793 136 2HB LYS 18 HB1 LYS 18 -6.029 -4.830 2.881 137 1HG LYS 18 HG2 LYS 18 -8.447 -4.213 4.346 138 2HG LYS 18 HG1 LYS 18 -8.805 -5.285 2.992 139 1HD LYS 18 HD2 LYS 18 -7.063 -6.841 3.721 140 2HD LYS 18 HD1 LYS 18 -6.613 -5.752 5.035 141 1HE LYS 18 HE2 LYS 18 -8.348 -6.447 6.343 142 2HE LYS 18 HE1 LYS 18 -9.487 -6.435 4.981 143 1HZ LYS 18 HZ1 LYS 18 -7.364 -8.469 5.417 144 2HZ LYS 18 HZ2 LYS 18 -8.491 -8.456 4.146 145 3HZ LYS 18 HZ3 LYS 18 -9.012 -8.703 5.745 146 H GLU 19 HN GLU 19 -4.549 -3.446 4.633 147 HA GLU 19 HA GLU 19 -5.762 -3.707 7.295 148 1HB GLU 19 HB2 GLU 19 -4.022 -5.233 6.702 149 2HB GLU 19 HB1 GLU 19 -2.992 -3.936 6.096 150 1HG GLU 19 HG2 GLU 19 -3.718 -3.466 8.865 151 2HG GLU 19 HG1 GLU 19 -2.951 -5.042 8.676 152 H ALA 20 HN ALA 20 -4.336 -1.216 5.397 153 HA ALA 20 HA ALA 20 -3.462 0.413 7.699 154 1HB ALA 20 HB1 ALA 20 -2.474 0.168 5.270 155 2HB ALA 20 HB2 ALA 20 -2.480 1.753 6.044 156 3HB ALA 20 HB3 ALA 20 -3.714 1.349 4.851 157 H ILE 21 HN ILE 21 -5.770 0.918 4.981 158 HA ILE 21 HA ILE 21 -7.278 2.793 6.755 159 HB ILE 21 HB ILE 21 -8.290 3.450 4.500 160 1HG1 ILE 21 HG12 ILE 21 -7.274 1.119 3.601 161 2HG1 ILE 21 HG11 ILE 21 -7.560 2.496 2.541 162 1HG2 ILE 21 HG21 ILE 21 -5.315 3.734 5.004 163 2HG2 ILE 21 HG22 ILE 21 -6.595 4.828 5.532 164 3HG2 ILE 21 HG23 ILE 21 -6.208 4.687 3.817 165 1HD1 ILE 21 HD11 ILE 21 -5.321 2.942 2.295 166 2HD1 ILE 21 HD12 ILE 21 -5.183 1.225 2.666 167 3HD1 ILE 21 HD13 ILE 21 -4.931 2.424 3.936 168 H GLY 22 HN GLY 22 -7.564 -0.194 4.899 169 1HA GLY 22 HA2 GLY 22 -9.344 -1.694 6.031 170 2HA GLY 22 HA1 GLY 22 -10.440 -0.355 5.691 171 H LYS 23 HN LYS 23 -8.672 -0.033 3.103 172 HA LYS 23 HA LYS 23 -10.143 -2.144 1.554 173 1HB LYS 23 HB2 LYS 23 -9.404 0.724 0.896 174 2HB LYS 23 HB1 LYS 23 -10.155 -0.389 -0.248 175 1HG LYS 23 HG2 LYS 23 -11.569 -0.344 2.301 176 2HG LYS 23 HG1 LYS 23 -11.497 1.256 1.561 177 1HD LYS 23 HD2 LYS 23 -12.309 -1.210 0.010 178 2HD LYS 23 HD1 LYS 23 -13.476 -0.201 0.865 179 1HE LYS 23 HE2 LYS 23 -12.941 1.718 -0.484 180 2HE LYS 23 HE1 LYS 23 -11.532 0.901 -1.189 181 1HZ LYS 23 HZ1 LYS 23 -12.945 -0.735 -2.173 182 2HZ LYS 23 HZ2 LYS 23 -13.549 0.792 -2.610 183 3HZ LYS 23 HZ3 LYS 23 -14.315 -0.113 -1.393 184 H ALA 24 HN ALA 24 -8.976 -3.235 -0.060 185 HA ALA 24 HA ALA 24 -6.029 -3.052 0.122 186 1HB ALA 24 HB1 ALA 24 -6.837 -4.983 -1.760 187 2HB ALA 24 HB2 ALA 24 -8.088 -4.995 -0.518 188 3HB ALA 24 HB3 ALA 24 -6.404 -5.273 -0.075 189 H ALA 25 HN ALA 25 -6.497 -0.745 -1.003 190 HA ALA 25 HA ALA 25 -6.193 -1.177 -3.957 191 1HB ALA 25 HB1 ALA 25 -8.226 0.180 -2.487 192 2HB ALA 25 HB2 ALA 25 -8.039 0.091 -4.239 193 3HB ALA 25 HB3 ALA 25 -7.284 1.406 -3.337 194 H GLY 26 HN GLY 26 -3.975 -0.838 -4.142 195 1HA GLY 26 HA2 GLY 26 -2.904 1.778 -4.086 196 2HA GLY 26 HA1 GLY 26 -2.459 1.008 -2.563 197 H LYS 27 HN LYS 27 -0.318 1.575 -3.982 198 HA LYS 27 HA LYS 27 0.495 -1.045 -5.189 199 1HB LYS 27 HB2 LYS 27 1.358 1.650 -6.254 200 2HB LYS 27 HB1 LYS 27 1.436 0.083 -7.059 201 1HG LYS 27 HG2 LYS 27 -1.193 0.143 -6.717 202 2HG LYS 27 HG1 LYS 27 -0.920 1.885 -6.645 203 1HD LYS 27 HD2 LYS 27 0.587 0.701 -8.820 204 2HD LYS 27 HD1 LYS 27 -1.127 0.314 -8.964 205 1HE LYS 27 HE2 LYS 27 -1.155 2.389 -9.997 206 2HE LYS 27 HE1 LYS 27 -1.327 2.937 -8.317 207 1HZ LYS 27 HZ1 LYS 27 0.806 3.612 -8.214 208 2HZ LYS 27 HZ2 LYS 27 0.666 3.718 -9.903 209 3HZ LYS 27 HZ3 LYS 27 1.379 2.351 -9.193 210 H CYS 28 HN CYS 28 3.100 -0.726 -5.577 211 HA CYS 28 HA CYS 28 4.195 0.433 -3.034 212 1HB CYS 28 HB2 CYS 28 4.090 -1.970 -2.854 213 2HB CYS 28 HB1 CYS 28 4.775 -2.174 -4.466 214 H MET 29 HN MET 29 5.548 2.100 -3.586 215 HA MET 29 HA MET 29 7.536 1.673 -5.751 216 1HB MET 29 HB2 MET 29 5.207 3.532 -5.763 217 2HB MET 29 HB1 MET 29 6.726 4.168 -6.390 218 1HG MET 29 HG2 MET 29 6.819 1.913 -7.720 219 2HG MET 29 HG1 MET 29 5.084 1.862 -7.402 220 1HE MET 29 HE1 MET 29 7.616 3.839 -10.226 221 2HE MET 29 HE2 MET 29 8.032 3.458 -8.557 222 3HE MET 29 HE3 MET 29 7.590 5.106 -8.992 223 H ASN 30 HN ASN 30 9.264 3.327 -5.660 224 HA ASN 30 HA ASN 30 10.855 4.553 -4.412 225 1HB ASN 30 HB2 ASN 30 8.144 5.663 -3.701 226 2HB ASN 30 HB1 ASN 30 9.605 6.353 -2.992 227 1HD2 ASN 30 HD21 ASN 30 8.308 8.122 -4.580 228 2HD2 ASN 30 HD22 ASN 30 9.050 8.274 -6.098 229 H GLY 31 HN GLY 31 9.626 2.009 -3.215 230 1HA GLY 31 HA2 GLY 31 9.985 0.801 -1.232 231 2HA GLY 31 HA1 GLY 31 10.970 2.151 -0.666 232 H LYS 32 HN LYS 32 7.542 2.188 -1.621 233 HA LYS 32 HA LYS 32 6.671 2.451 1.187 234 1HB LYS 32 HB2 LYS 32 6.534 4.710 -0.838 235 2HB LYS 32 HB1 LYS 32 5.751 4.737 0.742 236 1HG LYS 32 HG2 LYS 32 8.072 4.272 1.729 237 2HG LYS 32 HG1 LYS 32 8.709 4.675 0.134 238 1HD LYS 32 HD2 LYS 32 7.708 6.887 0.235 239 2HD LYS 32 HD1 LYS 32 6.901 6.492 1.753 240 1HE LYS 32 HE2 LYS 32 9.826 6.056 1.794 241 2HE LYS 32 HE1 LYS 32 9.329 7.752 1.618 242 1HZ LYS 32 HZ1 LYS 32 9.223 7.411 3.900 243 2HZ LYS 32 HZ2 LYS 32 8.617 5.830 3.745 244 3HZ LYS 32 HZ3 LYS 32 7.617 7.163 3.414 245 H CYS 33 HN CYS 33 4.259 2.555 1.302 246 HA CYS 33 HA CYS 33 3.035 1.160 -1.035 247 1HB CYS 33 HB2 CYS 33 3.036 0.446 1.492 248 2HB CYS 33 HB1 CYS 33 1.742 1.633 1.638 249 H LYS 34 HN LYS 34 1.486 2.175 -2.275 250 HA LYS 34 HA LYS 34 0.652 4.927 -1.445 251 1HB LYS 34 HB2 LYS 34 0.380 3.679 -4.182 252 2HB LYS 34 HB1 LYS 34 0.513 5.386 -3.766 253 1HG LYS 34 HG2 LYS 34 2.842 5.060 -3.067 254 2HG LYS 34 HG1 LYS 34 2.719 3.335 -3.411 255 1HD LYS 34 HD2 LYS 34 3.340 3.770 -5.527 256 2HD LYS 34 HD1 LYS 34 1.830 4.654 -5.741 257 1HE LYS 34 HE2 LYS 34 2.925 6.711 -4.866 258 2HE LYS 34 HE1 LYS 34 4.452 5.817 -4.734 259 1HZ LYS 34 HZ1 LYS 34 3.901 7.088 -6.919 260 2HZ LYS 34 HZ2 LYS 34 2.935 5.730 -7.252 261 3HZ LYS 34 HZ3 LYS 34 4.606 5.547 -6.996 262 H CYS 35 HN CYS 35 -1.102 4.106 -0.060 263 HA CYS 35 HA CYS 35 -3.259 2.558 -1.378 264 1HB CYS 35 HB2 CYS 35 -3.074 3.712 1.421 265 2HB CYS 35 HB1 CYS 35 -4.140 2.419 0.877 266 H TYR 36 HN TYR 36 -5.157 3.502 -2.083 267 HA TYR 36 HA TYR 36 -5.401 6.465 -1.803 268 1HB TYR 36 HB2 TYR 36 -6.138 4.363 -3.779 269 2HB TYR 36 HB1 TYR 36 -7.222 5.749 -3.662 270 HD1 TYR 36 HD1 TYR 36 -3.559 5.774 -3.024 271 HD2 TYR 36 HD2 TYR 36 -6.723 6.857 -5.720 272 HE1 TYR 36 HE1 TYR 36 -1.964 7.132 -4.352 273 HE2 TYR 36 HE2 TYR 36 -5.129 8.215 -7.047 274 HH TYR 36 HH TYR 36 -1.671 8.337 -6.202 275 HA PRO 37 HA PRO 37 -8.600 5.396 1.225 276 1HB PRO 37 HB2 PRO 37 -9.237 8.200 1.352 277 2HB PRO 37 HB1 PRO 37 -8.361 7.230 2.539 278 1HG PRO 37 HG2 PRO 37 -7.303 9.231 0.771 279 2HG PRO 37 HG1 PRO 37 -6.433 8.266 1.968 280 1HD PRO 37 HD2 PRO 37 -6.314 8.039 -0.902 281 2HD PRO 37 HD1 PRO 37 -5.464 7.044 0.306 Start of MODEL 2 1 1H VAL 1 HT1 VAL 1 -2.733 9.502 1.517 2 2H VAL 1 HT2 VAL 1 -2.373 10.222 3.013 3 3H VAL 1 HT3 VAL 1 -3.983 9.862 2.606 4 HA VAL 1 HA VAL 1 -2.731 8.282 4.207 5 HB VAL 1 HB VAL 1 -4.990 8.089 3.120 6 1HG1 VAL 1 HG11 VAL 1 -3.715 7.995 0.777 7 2HG1 VAL 1 HG12 VAL 1 -5.281 7.220 1.002 8 3HG1 VAL 1 HG13 VAL 1 -3.804 6.260 1.077 9 1HG2 VAL 1 HG21 VAL 1 -3.325 6.046 4.183 10 2HG2 VAL 1 HG22 VAL 1 -4.225 5.328 2.846 11 3HG2 VAL 1 HG23 VAL 1 -5.088 6.102 4.176 12 H PHE 2 HN PHE 2 -0.546 7.736 4.153 13 HA PHE 2 HA PHE 2 0.324 5.912 1.977 14 1HB PHE 2 HB2 PHE 2 1.355 8.666 2.577 15 2HB PHE 2 HB1 PHE 2 2.477 7.449 1.968 16 HD1 PHE 2 HD1 PHE 2 2.285 6.563 -0.280 17 HD2 PHE 2 HD2 PHE 2 -0.568 9.400 1.221 18 HE1 PHE 2 HE1 PHE 2 1.417 6.904 -2.576 19 HE2 PHE 2 HE2 PHE 2 -1.436 9.743 -1.075 20 HZ PHE 2 HZ PHE 2 -0.443 8.495 -2.975 21 H ILE 3 HN ILE 3 2.152 4.614 2.602 22 HA ILE 3 HA ILE 3 2.865 4.793 5.514 23 HB ILE 3 HB ILE 3 2.911 2.238 3.930 24 1HG1 ILE 3 HG12 ILE 3 0.446 3.448 5.230 25 2HG1 ILE 3 HG11 ILE 3 0.686 3.244 3.494 26 1HG2 ILE 3 HG21 ILE 3 3.380 3.002 6.601 27 2HG2 ILE 3 HG22 ILE 3 3.281 1.359 5.967 28 3HG2 ILE 3 HG23 ILE 3 1.839 2.144 6.614 29 1HD1 ILE 3 HD11 ILE 3 0.493 0.927 3.602 30 2HD1 ILE 3 HD12 ILE 3 -0.635 1.417 4.867 31 3HD1 ILE 3 HD13 ILE 3 0.984 0.863 5.295 32 H ASN 4 HN ASN 4 5.047 3.830 5.974 33 HA ASN 4 HA ASN 4 6.941 4.442 3.740 34 1HB ASN 4 HB2 ASN 4 8.544 4.677 5.694 35 2HB ASN 4 HB1 ASN 4 7.199 5.819 5.707 36 1HD2 ASN 4 HD21 ASN 4 7.218 6.019 8.056 37 2HD2 ASN 4 HD22 ASN 4 6.703 4.748 9.058 38 H ALA 5 HN ALA 5 5.629 1.842 5.522 39 HA ALA 5 HA ALA 5 7.643 0.006 5.986 40 1HB ALA 5 HB1 ALA 5 5.888 -1.466 6.026 41 2HB ALA 5 HB2 ALA 5 5.354 -1.015 4.406 42 3HB ALA 5 HB3 ALA 5 4.916 -0.013 5.790 43 H LYS 6 HN LYS 6 9.378 -0.486 4.696 44 HA LYS 6 HA LYS 6 9.607 0.047 1.918 45 1HB LYS 6 HB2 LYS 6 11.138 -0.971 4.043 46 2HB LYS 6 HB1 LYS 6 11.174 -2.226 2.803 47 1HG LYS 6 HG2 LYS 6 11.544 -0.023 1.261 48 2HG LYS 6 HG1 LYS 6 12.318 0.509 2.754 49 1HD LYS 6 HD2 LYS 6 13.249 -2.074 2.504 50 2HD LYS 6 HD1 LYS 6 13.183 -1.535 0.826 51 1HE LYS 6 HE2 LYS 6 15.142 -0.451 1.190 52 2HE LYS 6 HE1 LYS 6 14.264 0.638 2.283 53 1HZ LYS 6 HZ1 LYS 6 16.137 -0.633 3.338 54 2HZ LYS 6 HZ2 LYS 6 15.225 -2.046 3.100 55 3HZ LYS 6 HZ3 LYS 6 14.632 -0.806 4.100 56 H CYS 7 HN CYS 7 7.486 -0.838 1.154 57 HA CYS 7 HA CYS 7 6.765 -3.592 1.232 58 1HB CYS 7 HB2 CYS 7 5.355 -2.941 -0.706 59 2HB CYS 7 HB1 CYS 7 5.303 -1.716 0.562 60 H ARG 8 HN ARG 8 7.118 -5.270 -0.344 61 HA ARG 8 HA ARG 8 9.574 -4.857 -2.010 62 1HB ARG 8 HB2 ARG 8 8.298 -7.274 -0.698 63 2HB ARG 8 HB1 ARG 8 9.675 -7.386 -1.797 64 1HG ARG 8 HG2 ARG 8 10.513 -5.418 -0.089 65 2HG ARG 8 HG1 ARG 8 9.575 -6.443 0.997 66 1HD ARG 8 HD2 ARG 8 11.811 -7.331 1.022 67 2HD ARG 8 HD1 ARG 8 10.878 -8.426 -0.018 68 HE ARG 8 HE ARG 8 11.838 -6.363 -1.685 69 1HH1 ARG 8 HH11 ARG 8 14.244 -6.644 0.127 70 2HH1 ARG 8 HH12 ARG 8 15.166 -7.851 -0.706 71 1HH2 ARG 8 HH21 ARG 8 12.516 -8.892 -2.684 72 2HH2 ARG 8 HH22 ARG 8 14.187 -9.125 -2.294 73 H GLY 9 HN GLY 9 6.189 -5.714 -2.109 74 1HA GLY 9 HA2 GLY 9 6.408 -5.941 -5.064 75 2HA GLY 9 HA1 GLY 9 5.596 -7.238 -4.186 76 H SER 10 HN SER 10 4.428 -5.445 -6.158 77 HA SER 10 HA SER 10 2.847 -3.382 -4.958 78 1HB SER 10 HB2 SER 10 2.536 -3.107 -7.174 79 2HB SER 10 HB1 SER 10 3.262 -4.681 -7.481 80 HG SER 10 HG SER 10 0.841 -4.093 -7.957 81 HA PRO 11 HA PRO 11 -0.647 -6.768 -4.860 82 1HB PRO 11 HB2 PRO 11 0.674 -9.309 -4.561 83 2HB PRO 11 HB1 PRO 11 -0.380 -8.773 -5.874 84 1HG PRO 11 HG2 PRO 11 2.445 -9.186 -5.973 85 2HG PRO 11 HG1 PRO 11 1.399 -8.573 -7.258 86 1HD PRO 11 HD2 PRO 11 3.334 -7.119 -5.669 87 2HD PRO 11 HD1 PRO 11 2.355 -6.517 -7.028 88 H GLU 12 HN GLU 12 2.364 -6.895 -3.085 89 HA GLU 12 HA GLU 12 1.282 -8.154 -0.689 90 1HB GLU 12 HB2 GLU 12 3.770 -7.424 -1.756 91 2HB GLU 12 HB1 GLU 12 3.589 -6.406 -0.326 92 1HG GLU 12 HG2 GLU 12 2.895 -8.540 0.917 93 2HG GLU 12 HG1 GLU 12 3.501 -9.423 -0.486 94 H CYS 13 HN CYS 13 1.778 -4.819 -1.808 95 HA CYS 13 HA CYS 13 1.088 -3.518 0.666 96 1HB CYS 13 HB2 CYS 13 1.672 -2.896 -2.122 97 2HB CYS 13 HB1 CYS 13 0.413 -1.843 -1.476 98 H LEU 14 HN LEU 14 -0.814 -4.983 -1.879 99 HA LEU 14 HA LEU 14 -3.269 -3.590 -1.559 100 1HB LEU 14 HB2 LEU 14 -2.235 -6.058 -2.724 101 2HB LEU 14 HB1 LEU 14 -3.880 -6.256 -2.122 102 HG LEU 14 HG LEU 14 -3.953 -5.488 -4.440 103 1HD1 LEU 14 HD11 LEU 14 -5.064 -4.049 -2.197 104 2HD1 LEU 14 HD12 LEU 14 -5.784 -4.363 -3.776 105 3HD1 LEU 14 HD13 LEU 14 -4.773 -2.939 -3.536 106 1HD2 LEU 14 HD21 LEU 14 -2.333 -3.131 -3.419 107 2HD2 LEU 14 HD22 LEU 14 -2.985 -3.296 -5.050 108 3HD2 LEU 14 HD23 LEU 14 -1.734 -4.402 -4.485 109 HA PRO 15 HA PRO 15 -4.504 -6.981 1.699 110 1HB PRO 15 HB2 PRO 15 -2.053 -8.109 2.696 111 2HB PRO 15 HB1 PRO 15 -3.364 -8.938 1.852 112 1HG PRO 15 HG2 PRO 15 -0.741 -8.274 0.853 113 2HG PRO 15 HG1 PRO 15 -2.027 -9.170 0.041 114 1HD PRO 15 HD2 PRO 15 -1.117 -6.525 -0.562 115 2HD PRO 15 HD1 PRO 15 -2.497 -7.386 -1.285 116 H LYS 16 HN LYS 16 -1.193 -5.685 2.195 117 HA LYS 16 HA LYS 16 -1.546 -4.949 4.945 118 1HB LYS 16 HB2 LYS 16 0.303 -4.321 2.679 119 2HB LYS 16 HB1 LYS 16 0.382 -3.294 4.111 120 1HG LYS 16 HG2 LYS 16 0.464 -5.528 5.437 121 2HG LYS 16 HG1 LYS 16 0.897 -6.254 3.889 122 1HD LYS 16 HD2 LYS 16 3.025 -5.614 4.255 123 2HD LYS 16 HD1 LYS 16 2.491 -3.940 4.111 124 1HE LYS 16 HE2 LYS 16 1.715 -4.461 6.669 125 2HE LYS 16 HE1 LYS 16 3.153 -5.496 6.548 126 1HZ LYS 16 HZ1 LYS 16 2.929 -2.585 6.220 127 2HZ LYS 16 HZ2 LYS 16 4.108 -3.416 5.322 128 3HZ LYS 16 HZ3 LYS 16 4.122 -3.488 7.019 129 H CYS 17 HN CYS 17 -1.637 -2.916 1.990 130 HA CYS 17 HA CYS 17 -2.388 -0.478 3.198 131 1HB CYS 17 HB2 CYS 17 -1.690 -0.711 0.872 132 2HB CYS 17 HB1 CYS 17 -3.099 -1.711 0.517 133 H LYS 18 HN LYS 18 -4.396 -3.235 2.206 134 HA LYS 18 HA LYS 18 -6.959 -2.020 2.549 135 1HB LYS 18 HB2 LYS 18 -6.565 -4.129 1.378 136 2HB LYS 18 HB1 LYS 18 -5.979 -4.875 2.865 137 1HG LYS 18 HG2 LYS 18 -8.381 -4.017 3.735 138 2HG LYS 18 HG1 LYS 18 -8.765 -4.253 2.029 139 1HD LYS 18 HD2 LYS 18 -7.327 -6.521 2.586 140 2HD LYS 18 HD1 LYS 18 -8.166 -6.251 4.114 141 1HE LYS 18 HE2 LYS 18 -9.532 -6.321 1.397 142 2HE LYS 18 HE1 LYS 18 -9.521 -7.660 2.562 143 1HZ LYS 18 HZ1 LYS 18 -10.708 -4.970 2.862 144 2HZ LYS 18 HZ2 LYS 18 -10.308 -5.907 4.221 145 3HZ LYS 18 HZ3 LYS 18 -11.443 -6.480 3.095 146 H GLU 19 HN GLU 19 -4.894 -3.830 4.849 147 HA GLU 19 HA GLU 19 -6.797 -3.624 7.038 148 1HB GLU 19 HB2 GLU 19 -4.972 -4.612 8.308 149 2HB GLU 19 HB1 GLU 19 -5.008 -5.370 6.717 150 1HG GLU 19 HG2 GLU 19 -2.982 -4.526 6.144 151 2HG GLU 19 HG1 GLU 19 -3.347 -2.944 6.830 152 H ALA 20 HN ALA 20 -4.499 -1.468 5.645 153 HA ALA 20 HA ALA 20 -4.190 0.129 8.124 154 1HB ALA 20 HB1 ALA 20 -2.469 -0.480 6.189 155 2HB ALA 20 HB2 ALA 20 -2.397 1.087 6.994 156 3HB ALA 20 HB3 ALA 20 -3.180 0.938 5.420 157 H ILE 21 HN ILE 21 -5.779 0.299 4.952 158 HA ILE 21 HA ILE 21 -6.985 2.920 5.755 159 HB ILE 21 HB ILE 21 -5.623 2.868 3.693 160 1HG1 ILE 21 HG12 ILE 21 -8.472 3.022 2.754 161 2HG1 ILE 21 HG11 ILE 21 -7.904 4.156 3.979 162 1HG2 ILE 21 HG21 ILE 21 -5.711 1.123 2.276 163 2HG2 ILE 21 HG22 ILE 21 -7.441 1.363 2.034 164 3HG2 ILE 21 HG23 ILE 21 -6.869 0.352 3.362 165 1HD1 ILE 21 HD11 ILE 21 -6.298 5.099 2.544 166 2HD1 ILE 21 HD12 ILE 21 -7.673 4.831 1.474 167 3HD1 ILE 21 HD13 ILE 21 -6.313 3.707 1.462 168 H GLY 22 HN GLY 22 -7.668 -0.412 5.224 169 1HA GLY 22 HA2 GLY 22 -9.789 -1.374 5.912 170 2HA GLY 22 HA1 GLY 22 -10.567 0.166 5.549 171 H LYS 23 HN LYS 23 -8.764 0.049 2.968 172 HA LYS 23 HA LYS 23 -10.406 -1.949 1.464 173 1HB LYS 23 HB2 LYS 23 -11.431 0.338 1.441 174 2HB LYS 23 HB1 LYS 23 -9.955 0.952 0.695 175 1HG LYS 23 HG2 LYS 23 -11.842 0.375 -0.918 176 2HG LYS 23 HG1 LYS 23 -10.285 -0.376 -1.268 177 1HD LYS 23 HD2 LYS 23 -10.987 -2.482 -0.576 178 2HD LYS 23 HD1 LYS 23 -12.233 -1.830 0.488 179 1HE LYS 23 HE2 LYS 23 -13.784 -1.939 -1.161 180 2HE LYS 23 HE1 LYS 23 -12.719 -1.075 -2.288 181 1HZ LYS 23 HZ1 LYS 23 -11.411 -3.321 -2.203 182 2HZ LYS 23 HZ2 LYS 23 -12.742 -3.143 -3.245 183 3HZ LYS 23 HZ3 LYS 23 -12.920 -3.958 -1.765 184 H ALA 24 HN ALA 24 -9.065 -3.162 0.197 185 HA ALA 24 HA ALA 24 -6.254 -2.652 -0.065 186 1HB ALA 24 HB1 ALA 24 -6.538 -4.853 -0.511 187 2HB ALA 24 HB2 ALA 24 -7.089 -4.385 -2.119 188 3HB ALA 24 HB3 ALA 24 -8.258 -4.617 -0.818 189 H ALA 25 HN ALA 25 -6.449 -0.350 -0.881 190 HA ALA 25 HA ALA 25 -6.712 -0.330 -3.868 191 1HB ALA 25 HB1 ALA 25 -8.683 0.687 -2.859 192 2HB ALA 25 HB2 ALA 25 -7.689 1.970 -3.547 193 3HB ALA 25 HB3 ALA 25 -7.675 1.681 -1.808 194 H GLY 26 HN GLY 26 -4.237 -0.715 -3.279 195 1HA GLY 26 HA2 GLY 26 -2.912 1.872 -3.630 196 2HA GLY 26 HA1 GLY 26 -2.520 1.065 -2.113 197 H LYS 27 HN LYS 27 -0.318 1.245 -3.353 198 HA LYS 27 HA LYS 27 0.191 -1.426 -4.549 199 1HB LYS 27 HB2 LYS 27 0.366 1.245 -5.898 200 2HB LYS 27 HB1 LYS 27 1.549 0.013 -6.329 201 1HG LYS 27 HG2 LYS 27 0.009 -0.884 -7.704 202 2HG LYS 27 HG1 LYS 27 -0.926 -1.322 -6.275 203 1HD LYS 27 HD2 LYS 27 -2.405 -0.026 -7.624 204 2HD LYS 27 HD1 LYS 27 -1.866 1.059 -6.341 205 1HE LYS 27 HE2 LYS 27 0.072 1.579 -8.133 206 2HE LYS 27 HE1 LYS 27 -1.225 1.117 -9.254 207 1HZ LYS 27 HZ1 LYS 27 -1.257 3.508 -8.569 208 2HZ LYS 27 HZ2 LYS 27 -1.614 2.994 -6.989 209 3HZ LYS 27 HZ3 LYS 27 -2.695 2.667 -8.257 210 H CYS 28 HN CYS 28 2.830 -0.912 -5.360 211 HA CYS 28 HA CYS 28 4.156 0.076 -2.856 212 1HB CYS 28 HB2 CYS 28 4.132 -2.315 -2.749 213 2HB CYS 28 HB1 CYS 28 4.545 -2.465 -4.457 214 H MET 29 HN MET 29 5.466 1.771 -3.439 215 HA MET 29 HA MET 29 7.209 1.483 -5.823 216 1HB MET 29 HB2 MET 29 4.851 3.249 -5.531 217 2HB MET 29 HB1 MET 29 6.297 4.034 -6.168 218 1HG MET 29 HG2 MET 29 5.957 3.073 -8.171 219 2HG MET 29 HG1 MET 29 6.026 1.476 -7.427 220 1HE MET 29 HE1 MET 29 4.407 2.304 -9.964 221 2HE MET 29 HE2 MET 29 4.010 3.911 -9.361 222 3HE MET 29 HE3 MET 29 2.717 2.777 -9.744 223 H ASN 30 HN ASN 30 8.911 3.196 -5.833 224 HA ASN 30 HA ASN 30 10.627 4.336 -4.664 225 1HB ASN 30 HB2 ASN 30 8.344 5.746 -4.672 226 2HB ASN 30 HB1 ASN 30 8.499 5.518 -2.931 227 1HD2 ASN 30 HD21 ASN 30 8.773 8.089 -3.454 228 2HD2 ASN 30 HD22 ASN 30 10.389 8.595 -3.553 229 H GLY 31 HN GLY 31 9.473 1.733 -3.500 230 1HA GLY 31 HA2 GLY 31 9.995 0.416 -1.625 231 2HA GLY 31 HA1 GLY 31 11.048 1.722 -1.080 232 H LYS 32 HN LYS 32 7.686 2.343 -1.793 233 HA LYS 32 HA LYS 32 7.057 2.380 1.134 234 1HB LYS 32 HB2 LYS 32 6.744 4.561 -0.946 235 2HB LYS 32 HB1 LYS 32 5.918 4.607 0.612 236 1HG LYS 32 HG2 LYS 32 8.106 4.446 1.764 237 2HG LYS 32 HG1 LYS 32 8.919 4.448 0.200 238 1HD LYS 32 HD2 LYS 32 8.881 6.710 1.230 239 2HD LYS 32 HD1 LYS 32 8.010 6.665 -0.303 240 1HE LYS 32 HE2 LYS 32 6.046 7.212 0.702 241 2HE LYS 32 HE1 LYS 32 6.289 6.009 1.984 242 1HZ LYS 32 HZ1 LYS 32 7.631 8.656 1.802 243 2HZ LYS 32 HZ2 LYS 32 7.916 7.490 3.005 244 3HZ LYS 32 HZ3 LYS 32 6.398 8.246 2.892 245 H CYS 33 HN CYS 33 4.552 2.819 1.346 246 HA CYS 33 HA CYS 33 3.181 1.144 -0.734 247 1HB CYS 33 HB2 CYS 33 3.481 0.487 1.787 248 2HB CYS 33 HB1 CYS 33 2.178 1.645 2.059 249 H LYS 34 HN LYS 34 1.914 2.379 -2.056 250 HA LYS 34 HA LYS 34 0.822 4.963 -1.057 251 1HB LYS 34 HB2 LYS 34 0.661 3.751 -3.827 252 2HB LYS 34 HB1 LYS 34 0.559 5.455 -3.388 253 1HG LYS 34 HG2 LYS 34 2.882 5.532 -2.793 254 2HG LYS 34 HG1 LYS 34 3.029 3.777 -2.894 255 1HD LYS 34 HD2 LYS 34 3.966 4.849 -4.907 256 2HD LYS 34 HD1 LYS 34 2.556 3.873 -5.314 257 1HE LYS 34 HE2 LYS 34 1.789 6.600 -4.608 258 2HE LYS 34 HE1 LYS 34 2.911 6.560 -5.983 259 1HZ LYS 34 HZ1 LYS 34 0.282 5.266 -5.698 260 2HZ LYS 34 HZ2 LYS 34 1.455 4.554 -6.699 261 3HZ LYS 34 HZ3 LYS 34 0.912 6.132 -7.014 262 H CYS 35 HN CYS 35 -1.481 5.370 -1.154 263 HA CYS 35 HA CYS 35 -3.245 3.086 -1.860 264 1HB CYS 35 HB2 CYS 35 -2.946 4.346 0.880 265 2HB CYS 35 HB1 CYS 35 -4.324 3.342 0.431 266 H TYR 36 HN TYR 36 -5.467 3.745 -2.140 267 HA TYR 36 HA TYR 36 -5.928 6.703 -2.111 268 1HB TYR 36 HB2 TYR 36 -6.231 4.648 -4.284 269 2HB TYR 36 HB1 TYR 36 -7.270 6.074 -4.290 270 HD1 TYR 36 HD1 TYR 36 -6.496 8.037 -5.294 271 HD2 TYR 36 HD2 TYR 36 -3.662 5.121 -3.906 272 HE1 TYR 36 HE1 TYR 36 -4.642 9.380 -6.251 273 HE2 TYR 36 HE2 TYR 36 -1.811 6.464 -4.862 274 HH TYR 36 HH TYR 36 -1.570 8.189 -6.736 275 HA PRO 37 HA PRO 37 -9.483 5.328 0.236 276 1HB PRO 37 HB2 PRO 37 -10.786 7.837 -0.294 277 2HB PRO 37 HB1 PRO 37 -9.973 7.323 1.188 278 1HG PRO 37 HG2 PRO 37 -9.078 9.267 -0.723 279 2HG PRO 37 HG1 PRO 37 -8.270 8.749 0.758 280 1HD PRO 37 HD2 PRO 37 -7.518 8.160 -1.965 281 2HD PRO 37 HD1 PRO 37 -6.710 7.628 -0.469 Start of MODEL 3 1 1H VAL 1 HT1 VAL 1 -2.312 9.108 1.159 2 2H VAL 1 HT2 VAL 1 -3.327 9.962 2.221 3 3H VAL 1 HT3 VAL 1 -3.938 8.657 1.321 4 HA VAL 1 HA VAL 1 -2.435 8.648 3.803 5 HB VAL 1 HB VAL 1 -4.331 6.785 2.335 6 1HG1 VAL 1 HG11 VAL 1 -4.611 6.234 4.985 7 2HG1 VAL 1 HG12 VAL 1 -2.890 6.616 4.917 8 3HG1 VAL 1 HG13 VAL 1 -3.549 5.326 3.909 9 1HG2 VAL 1 HG21 VAL 1 -5.256 8.189 4.739 10 2HG2 VAL 1 HG22 VAL 1 -6.035 8.034 3.164 11 3HG2 VAL 1 HG23 VAL 1 -4.823 9.287 3.429 12 H PHE 2 HN PHE 2 -0.257 8.596 2.614 13 HA PHE 2 HA PHE 2 0.371 5.954 1.385 14 1HB PHE 2 HB2 PHE 2 1.593 8.700 1.499 15 2HB PHE 2 HB1 PHE 2 2.609 7.322 1.079 16 HD1 PHE 2 HD1 PHE 2 2.818 8.682 -1.136 17 HD2 PHE 2 HD2 PHE 2 -0.813 6.797 0.178 18 HE1 PHE 2 HE1 PHE 2 1.945 8.743 -3.456 19 HE2 PHE 2 HE2 PHE 2 -1.684 6.858 -2.143 20 HZ PHE 2 HZ PHE 2 -0.304 7.830 -3.960 21 H ILE 3 HN ILE 3 1.911 4.558 2.342 22 HA ILE 3 HA ILE 3 2.853 5.339 5.084 23 HB ILE 3 HB ILE 3 2.627 2.851 5.533 24 1HG1 ILE 3 HG12 ILE 3 0.960 2.833 3.014 25 2HG1 ILE 3 HG11 ILE 3 2.660 2.361 3.001 26 1HG2 ILE 3 HG21 ILE 3 0.902 4.470 6.239 27 2HG2 ILE 3 HG22 ILE 3 0.168 2.944 5.747 28 3HG2 ILE 3 HG23 ILE 3 0.127 4.333 4.661 29 1HD1 ILE 3 HD11 ILE 3 1.458 0.332 3.324 30 2HD1 ILE 3 HD12 ILE 3 0.384 1.071 4.512 31 3HD1 ILE 3 HD13 ILE 3 2.072 0.765 4.920 32 H ASN 4 HN ASN 4 5.027 5.019 5.483 33 HA ASN 4 HA ASN 4 6.806 4.432 3.252 34 1HB ASN 4 HB2 ASN 4 8.525 4.876 4.973 35 2HB ASN 4 HB1 ASN 4 7.251 6.094 5.037 36 1HD2 ASN 4 HD21 ASN 4 7.242 6.576 7.281 37 2HD2 ASN 4 HD22 ASN 4 6.948 5.419 8.487 38 H ALA 5 HN ALA 5 5.004 2.393 5.134 39 HA ALA 5 HA ALA 5 6.567 0.383 6.201 40 1HB ALA 5 HB1 ALA 5 3.944 0.737 5.319 41 2HB ALA 5 HB2 ALA 5 4.561 -0.676 6.176 42 3HB ALA 5 HB3 ALA 5 4.506 -0.667 4.412 43 H LYS 6 HN LYS 6 8.595 0.119 5.128 44 HA LYS 6 HA LYS 6 9.162 -0.132 2.414 45 1HB LYS 6 HB2 LYS 6 11.033 -1.621 3.238 46 2HB LYS 6 HB1 LYS 6 10.856 -0.123 4.152 47 1HG LYS 6 HG2 LYS 6 10.723 -1.401 6.008 48 2HG LYS 6 HG1 LYS 6 9.134 -1.908 5.434 49 1HD LYS 6 HD2 LYS 6 9.875 -3.970 4.855 50 2HD LYS 6 HD1 LYS 6 11.352 -3.330 4.134 51 1HE LYS 6 HE2 LYS 6 10.890 -3.641 7.126 52 2HE LYS 6 HE1 LYS 6 11.853 -4.745 6.124 53 1HZ LYS 6 HZ1 LYS 6 13.548 -3.337 6.231 54 2HZ LYS 6 HZ2 LYS 6 12.646 -2.294 7.223 55 3HZ LYS 6 HZ3 LYS 6 12.611 -2.106 5.535 56 H CYS 7 HN CYS 7 7.400 -1.224 1.315 57 HA CYS 7 HA CYS 7 6.655 -3.956 2.053 58 1HB CYS 7 HB2 CYS 7 5.099 -3.719 0.269 59 2HB CYS 7 HB1 CYS 7 5.262 -2.094 0.930 60 H ARG 8 HN ARG 8 6.605 -5.445 -0.170 61 HA ARG 8 HA ARG 8 9.482 -5.639 -0.993 62 1HB ARG 8 HB2 ARG 8 7.316 -7.550 -0.256 63 2HB ARG 8 HB1 ARG 8 8.439 -8.074 -1.512 64 1HG ARG 8 HG2 ARG 8 9.364 -6.933 1.133 65 2HG ARG 8 HG1 ARG 8 9.115 -8.661 0.874 66 1HD ARG 8 HD2 ARG 8 10.648 -8.278 -1.240 67 2HD ARG 8 HD1 ARG 8 11.189 -6.851 -0.334 68 HE ARG 8 HE ARG 8 11.155 -9.542 0.969 69 1HH1 ARG 8 HH21 ARG 8 12.063 -6.866 2.222 70 2HH1 ARG 8 HH22 ARG 8 13.782 -7.054 2.146 71 1HH2 ARG 8 HH11 ARG 8 13.659 -9.704 -0.088 72 2HH2 ARG 8 HH12 ARG 8 14.687 -8.662 0.839 73 H GLY 9 HN GLY 9 6.154 -5.478 -2.123 74 1HA GLY 9 HA2 GLY 9 7.044 -4.804 -4.808 75 2HA GLY 9 HA1 GLY 9 6.300 -6.401 -4.733 76 H SER 10 HN SER 10 4.829 -5.058 -6.267 77 HA SER 10 HA SER 10 3.014 -3.117 -5.157 78 1HB SER 10 HB2 SER 10 3.021 -2.964 -7.428 79 2HB SER 10 HB1 SER 10 3.453 -4.658 -7.630 80 HG SER 10 HG SER 10 1.300 -5.201 -7.253 81 HA PRO 11 HA PRO 11 -0.067 -6.887 -5.067 82 1HB PRO 11 HB2 PRO 11 1.524 -9.229 -4.553 83 2HB PRO 11 HB1 PRO 11 0.485 -8.895 -5.942 84 1HG PRO 11 HG2 PRO 11 3.343 -8.962 -5.879 85 2HG PRO 11 HG1 PRO 11 2.301 -8.569 -7.251 86 1HD PRO 11 HD2 PRO 11 3.961 -6.784 -5.695 87 2HD PRO 11 HD1 PRO 11 2.966 -6.391 -7.118 88 H GLU 12 HN GLU 12 2.665 -6.212 -3.113 89 HA GLU 12 HA GLU 12 1.639 -7.594 -0.711 90 1HB GLU 12 HB2 GLU 12 4.102 -7.048 -1.538 91 2HB GLU 12 HB1 GLU 12 3.804 -5.515 -0.718 92 1HG GLU 12 HG2 GLU 12 4.513 -6.630 1.137 93 2HG GLU 12 HG1 GLU 12 2.880 -7.297 1.141 94 H CYS 13 HN CYS 13 1.384 -4.509 -2.265 95 HA CYS 13 HA CYS 13 0.774 -2.859 0.010 96 1HB CYS 13 HB2 CYS 13 0.695 -2.793 -2.925 97 2HB CYS 13 HB1 CYS 13 -0.573 -1.820 -2.180 98 H LEU 14 HN LEU 14 -1.220 -4.892 -2.126 99 HA LEU 14 HA LEU 14 -3.800 -4.098 -1.452 100 1HB LEU 14 HB2 LEU 14 -2.423 -6.426 -2.473 101 2HB LEU 14 HB1 LEU 14 -3.772 -6.923 -1.452 102 HG LEU 14 HG LEU 14 -4.447 -6.592 -3.833 103 1HD1 LEU 14 HD11 LEU 14 -6.432 -6.160 -2.859 104 2HD1 LEU 14 HD12 LEU 14 -6.022 -4.445 -2.881 105 3HD1 LEU 14 HD13 LEU 14 -5.630 -5.428 -1.470 106 1HD2 LEU 14 HD21 LEU 14 -2.739 -4.519 -3.864 107 2HD2 LEU 14 HD22 LEU 14 -4.217 -3.637 -3.479 108 3HD2 LEU 14 HD23 LEU 14 -4.125 -4.601 -4.953 109 HA PRO 15 HA PRO 15 -3.724 -7.001 2.455 110 1HB PRO 15 HB2 PRO 15 -0.956 -7.357 3.155 111 2HB PRO 15 HB1 PRO 15 -2.129 -8.598 2.703 112 1HG PRO 15 HG2 PRO 15 0.081 -7.582 1.150 113 2HG PRO 15 HG1 PRO 15 -1.039 -8.884 0.741 114 1HD PRO 15 HD2 PRO 15 -0.913 -6.285 -0.439 115 2HD PRO 15 HD1 PRO 15 -2.134 -7.543 -0.735 116 H LYS 16 HN LYS 16 -0.910 -4.840 2.018 117 HA LYS 16 HA LYS 16 -0.916 -3.729 4.664 118 1HB LYS 16 HB2 LYS 16 0.214 -3.149 1.975 119 2HB LYS 16 HB1 LYS 16 0.187 -1.803 3.116 120 1HG LYS 16 HG2 LYS 16 2.295 -3.048 3.324 121 2HG LYS 16 HG1 LYS 16 1.335 -3.223 4.794 122 1HD LYS 16 HD2 LYS 16 0.421 -5.379 3.807 123 2HD LYS 16 HD1 LYS 16 1.652 -5.231 2.553 124 1HE LYS 16 HE2 LYS 16 3.390 -5.692 4.013 125 2HE LYS 16 HE1 LYS 16 2.537 -4.999 5.406 126 1HZ LYS 16 HZ1 LYS 16 0.865 -6.883 4.976 127 2HZ LYS 16 HZ2 LYS 16 2.327 -7.270 5.749 128 3HZ LYS 16 HZ3 LYS 16 2.119 -7.613 4.098 129 H CYS 17 HN CYS 17 -2.264 -2.431 1.593 130 HA CYS 17 HA CYS 17 -3.432 -0.075 2.652 131 1HB CYS 17 HB2 CYS 17 -4.247 -1.938 0.401 132 2HB CYS 17 HB1 CYS 17 -4.939 -0.334 0.636 133 H LYS 18 HN LYS 18 -4.842 -3.340 2.277 134 HA LYS 18 HA LYS 18 -7.429 -2.742 3.330 135 1HB LYS 18 HB2 LYS 18 -6.764 -4.775 2.062 136 2HB LYS 18 HB1 LYS 18 -5.791 -5.298 3.436 137 1HG LYS 18 HG2 LYS 18 -7.609 -5.972 4.630 138 2HG LYS 18 HG1 LYS 18 -8.584 -4.602 4.098 139 1HD LYS 18 HD2 LYS 18 -9.682 -6.138 2.835 140 2HD LYS 18 HD1 LYS 18 -8.287 -6.012 1.761 141 1HE LYS 18 HE2 LYS 18 -7.193 -7.861 3.111 142 2HE LYS 18 HE1 LYS 18 -8.750 -8.078 3.934 143 1HZ LYS 18 HZ1 LYS 18 -8.725 -7.894 1.008 144 2HZ LYS 18 HZ2 LYS 18 -9.785 -8.745 2.028 145 3HZ LYS 18 HZ3 LYS 18 -8.229 -9.353 1.718 146 H GLU 19 HN GLU 19 -4.365 -3.558 4.897 147 HA GLU 19 HA GLU 19 -5.627 -3.739 7.564 148 1HB GLU 19 HB2 GLU 19 -3.751 -5.203 6.735 149 2HB GLU 19 HB1 GLU 19 -2.712 -3.777 6.715 150 1HG GLU 19 HG2 GLU 19 -3.899 -3.725 9.244 151 2HG GLU 19 HG1 GLU 19 -3.527 -5.429 8.971 152 H ALA 20 HN ALA 20 -4.346 -1.301 5.537 153 HA ALA 20 HA ALA 20 -3.348 0.434 7.695 154 1HB ALA 20 HB1 ALA 20 -2.257 1.240 5.888 155 2HB ALA 20 HB2 ALA 20 -3.792 1.815 5.236 156 3HB ALA 20 HB3 ALA 20 -3.214 0.197 4.836 157 H ILE 21 HN ILE 21 -6.090 0.500 5.386 158 HA ILE 21 HA ILE 21 -7.532 2.289 7.320 159 HB ILE 21 HB ILE 21 -8.597 3.150 5.114 160 1HG1 ILE 21 HG12 ILE 21 -6.096 1.798 4.044 161 2HG1 ILE 21 HG11 ILE 21 -7.755 1.316 3.689 162 1HG2 ILE 21 HG21 ILE 21 -7.278 4.866 5.737 163 2HG2 ILE 21 HG22 ILE 21 -6.007 4.173 4.730 164 3HG2 ILE 21 HG23 ILE 21 -6.095 3.765 6.444 165 1HD1 ILE 21 HD11 ILE 21 -7.981 2.926 2.123 166 2HD1 ILE 21 HD12 ILE 21 -6.237 3.157 2.244 167 3HD1 ILE 21 HD13 ILE 21 -7.328 4.158 3.202 168 H GLY 22 HN GLY 22 -7.760 -0.311 4.922 169 1HA GLY 22 HA2 GLY 22 -9.343 -2.164 5.632 170 2HA GLY 22 HA1 GLY 22 -10.519 -0.883 5.932 171 H LYS 23 HN LYS 23 -8.340 -0.695 3.213 172 HA LYS 23 HA LYS 23 -10.618 -1.355 1.377 173 1HB LYS 23 HB2 LYS 23 -8.617 0.916 1.421 174 2HB LYS 23 HB1 LYS 23 -9.535 0.519 -0.029 175 1HG LYS 23 HG2 LYS 23 -11.335 0.596 2.203 176 2HG LYS 23 HG1 LYS 23 -10.385 2.083 2.183 177 1HD LYS 23 HD2 LYS 23 -10.980 2.466 -0.160 178 2HD LYS 23 HD1 LYS 23 -11.870 0.944 -0.203 179 1HE LYS 23 HE2 LYS 23 -12.701 2.689 2.013 180 2HE LYS 23 HE1 LYS 23 -12.994 3.393 0.410 181 1HZ LYS 23 HZ1 LYS 23 -13.983 0.856 1.528 182 2HZ LYS 23 HZ2 LYS 23 -13.757 0.994 -0.151 183 3HZ LYS 23 HZ3 LYS 23 -14.825 2.041 0.655 184 H ALA 24 HN ALA 24 -9.000 -0.936 -0.975 185 HA ALA 24 HA ALA 24 -6.622 -2.644 -0.771 186 1HB ALA 24 HB1 ALA 24 -7.790 -4.562 -1.055 187 2HB ALA 24 HB2 ALA 24 -8.195 -3.990 -2.674 188 3HB ALA 24 HB3 ALA 24 -9.286 -3.668 -1.325 189 H ALA 25 HN ALA 25 -6.954 0.000 -1.712 190 HA ALA 25 HA ALA 25 -6.491 -0.365 -4.654 191 1HB ALA 25 HB1 ALA 25 -8.137 1.583 -3.069 192 2HB ALA 25 HB2 ALA 25 -8.546 0.739 -4.563 193 3HB ALA 25 HB3 ALA 25 -7.435 2.109 -4.599 194 H GLY 26 HN GLY 26 -4.224 -0.255 -4.602 195 1HA GLY 26 HA2 GLY 26 -2.955 2.270 -4.437 196 2HA GLY 26 HA1 GLY 26 -2.707 1.458 -2.891 197 H LYS 27 HN LYS 27 -0.459 1.948 -4.310 198 HA LYS 27 HA LYS 27 0.324 -0.781 -5.252 199 1HB LYS 27 HB2 LYS 27 1.066 1.844 -6.585 200 2HB LYS 27 HB1 LYS 27 1.428 0.221 -7.175 201 1HG LYS 27 HG2 LYS 27 -1.038 -0.217 -7.309 202 2HG LYS 27 HG1 LYS 27 -1.318 1.473 -6.886 203 1HD LYS 27 HD2 LYS 27 0.461 0.732 -9.205 204 2HD LYS 27 HD1 LYS 27 -1.288 0.849 -9.402 205 1HE LYS 27 HE2 LYS 27 0.500 3.065 -8.333 206 2HE LYS 27 HE1 LYS 27 -0.215 3.009 -9.957 207 1HZ LYS 27 HZ1 LYS 27 -2.345 2.488 -8.449 208 2HZ LYS 27 HZ2 LYS 27 -1.918 4.056 -8.942 209 3HZ LYS 27 HZ3 LYS 27 -1.492 3.504 -7.392 210 H CYS 28 HN CYS 28 2.948 -0.546 -5.609 211 HA CYS 28 HA CYS 28 3.996 0.989 -3.265 212 1HB CYS 28 HB2 CYS 28 3.584 -1.713 -3.311 213 2HB CYS 28 HB1 CYS 28 5.254 -1.617 -3.871 214 H MET 29 HN MET 29 5.848 2.125 -3.718 215 HA MET 29 HA MET 29 7.499 1.342 -6.075 216 1HB MET 29 HB2 MET 29 5.550 3.391 -6.016 217 2HB MET 29 HB1 MET 29 7.112 4.207 -5.943 218 1HG MET 29 HG2 MET 29 7.829 2.710 -7.886 219 2HG MET 29 HG1 MET 29 6.130 2.266 -8.045 220 1HE MET 29 HE1 MET 29 8.077 3.820 -10.289 221 2HE MET 29 HE2 MET 29 6.712 4.654 -11.027 222 3HE MET 29 HE3 MET 29 6.521 2.997 -10.460 223 H ASN 30 HN ASN 30 9.686 1.971 -5.847 224 HA ASN 30 HA ASN 30 11.642 2.613 -4.692 225 1HB ASN 30 HB2 ASN 30 9.624 4.610 -3.621 226 2HB ASN 30 HB1 ASN 30 11.371 4.762 -3.439 227 1HD2 ASN 30 HD21 ASN 30 10.009 6.770 -4.855 228 2HD2 ASN 30 HD22 ASN 30 10.385 6.656 -6.507 229 H GLY 31 HN GLY 31 9.338 0.875 -3.329 230 1HA GLY 31 HA2 GLY 31 9.597 -0.520 -1.403 231 2HA GLY 31 HA1 GLY 31 10.834 0.584 -0.804 232 H LYS 32 HN LYS 32 7.659 1.655 -1.906 233 HA LYS 32 HA LYS 32 6.809 2.054 0.930 234 1HB LYS 32 HB2 LYS 32 7.276 4.111 -1.230 235 2HB LYS 32 HB1 LYS 32 6.131 4.427 0.073 236 1HG LYS 32 HG2 LYS 32 7.775 4.705 1.615 237 2HG LYS 32 HG1 LYS 32 8.722 3.357 0.981 238 1HD LYS 32 HD2 LYS 32 10.072 4.781 -0.116 239 2HD LYS 32 HD1 LYS 32 8.687 5.467 -0.968 240 1HE LYS 32 HE2 LYS 32 8.978 6.314 1.865 241 2HE LYS 32 HE1 LYS 32 10.212 6.922 0.743 242 1HZ LYS 32 HZ1 LYS 32 7.296 7.296 0.673 243 2HZ LYS 32 HZ2 LYS 32 8.157 7.275 -0.791 244 3HZ LYS 32 HZ3 LYS 32 8.529 8.428 0.401 245 H CYS 33 HN CYS 33 4.536 1.962 1.167 246 HA CYS 33 HA CYS 33 3.052 1.020 -1.226 247 1HB CYS 33 HB2 CYS 33 3.136 -0.091 1.089 248 2HB CYS 33 HB1 CYS 33 2.104 1.228 1.636 249 H LYS 34 HN LYS 34 1.150 2.047 -1.980 250 HA LYS 34 HA LYS 34 0.509 4.718 -0.779 251 1HB LYS 34 HB2 LYS 34 0.918 3.927 -3.680 252 2HB LYS 34 HB1 LYS 34 0.261 5.483 -3.173 253 1HG LYS 34 HG2 LYS 34 2.388 6.217 -3.033 254 2HG LYS 34 HG1 LYS 34 2.565 5.172 -1.622 255 1HD LYS 34 HD2 LYS 34 4.332 4.605 -3.166 256 2HD LYS 34 HD1 LYS 34 3.158 3.290 -3.202 257 1HE LYS 34 HE2 LYS 34 3.336 3.619 -5.481 258 2HE LYS 34 HE1 LYS 34 2.132 4.881 -5.154 259 1HZ LYS 34 HZ1 LYS 34 5.078 5.267 -5.069 260 2HZ LYS 34 HZ2 LYS 34 3.902 6.466 -4.809 261 3HZ LYS 34 HZ3 LYS 34 4.074 5.759 -6.344 262 H CYS 35 HN CYS 35 -1.487 4.065 0.131 263 HA CYS 35 HA CYS 35 -3.435 2.662 -1.647 264 1HB CYS 35 HB2 CYS 35 -3.732 3.337 1.288 265 2HB CYS 35 HB1 CYS 35 -4.517 2.044 0.385 266 H TYR 36 HN TYR 36 -5.804 3.493 -1.213 267 HA TYR 36 HA TYR 36 -5.881 6.463 -0.898 268 1HB TYR 36 HB2 TYR 36 -6.638 4.774 -3.277 269 2HB TYR 36 HB1 TYR 36 -7.433 6.324 -3.001 270 HD1 TYR 36 HD1 TYR 36 -4.907 4.899 -4.818 271 HD2 TYR 36 HD2 TYR 36 -5.540 8.179 -2.119 272 HE1 TYR 36 HE1 TYR 36 -2.953 6.075 -5.790 273 HE2 TYR 36 HE2 TYR 36 -3.585 9.356 -3.091 274 HH TYR 36 HH TYR 36 -2.097 8.351 -5.999 275 HA PRO 37 HA PRO 37 -9.629 5.764 1.292 276 1HB PRO 37 HB2 PRO 37 -11.135 7.791 -0.086 277 2HB PRO 37 HB1 PRO 37 -10.346 7.905 1.490 278 1HG PRO 37 HG2 PRO 37 -9.555 9.159 -0.965 279 2HG PRO 37 HG1 PRO 37 -8.759 9.259 0.609 280 1HD PRO 37 HD2 PRO 37 -7.860 7.852 -1.748 281 2HD PRO 37 HD1 PRO 37 -7.054 7.959 -0.164 Start of MODEL 4 1 1H VAL 1 HT1 VAL 1 -2.277 9.041 2.968 2 2H VAL 1 HT2 VAL 1 -2.772 9.152 4.589 3 3H VAL 1 HT3 VAL 1 -3.928 9.139 3.345 4 HA VAL 1 HA VAL 1 -3.173 6.959 4.762 5 HB VAL 1 HB VAL 1 -4.398 5.808 2.896 6 1HG1 VAL 1 HG11 VAL 1 -5.297 7.794 4.630 7 2HG1 VAL 1 HG12 VAL 1 -6.315 6.675 3.723 8 3HG1 VAL 1 HG13 VAL 1 -5.959 8.273 3.066 9 1HG2 VAL 1 HG21 VAL 1 -3.589 6.833 0.929 10 2HG2 VAL 1 HG22 VAL 1 -3.825 8.458 1.573 11 3HG2 VAL 1 HG23 VAL 1 -5.218 7.490 1.088 12 H PHE 2 HN PHE 2 -0.625 7.914 4.058 13 HA PHE 2 HA PHE 2 0.356 5.795 2.169 14 1HB PHE 2 HB2 PHE 2 0.819 8.697 2.448 15 2HB PHE 2 HB1 PHE 2 2.289 7.747 2.231 16 HD1 PHE 2 HD1 PHE 2 -1.164 7.161 0.913 17 HD2 PHE 2 HD2 PHE 2 2.934 8.064 -0.010 18 HE1 PHE 2 HE1 PHE 2 -1.660 6.942 -1.508 19 HE2 PHE 2 HE2 PHE 2 2.437 7.846 -2.428 20 HZ PHE 2 HZ PHE 2 0.141 7.285 -3.179 21 H ILE 3 HN ILE 3 2.167 4.602 2.860 22 HA ILE 3 HA ILE 3 3.429 5.324 5.462 23 HB ILE 3 HB ILE 3 2.980 3.040 6.291 24 1HG1 ILE 3 HG12 ILE 3 1.377 2.741 3.730 25 2HG1 ILE 3 HG11 ILE 3 2.919 1.949 4.056 26 1HG2 ILE 3 HG21 ILE 3 1.307 5.020 6.487 27 2HG2 ILE 3 HG22 ILE 3 0.721 3.399 6.857 28 3HG2 ILE 3 HG23 ILE 3 0.353 4.136 5.297 29 1HD1 ILE 3 HD11 ILE 3 1.457 0.278 4.722 30 2HD1 ILE 3 HD12 ILE 3 0.230 1.425 5.261 31 3HD1 ILE 3 HD13 ILE 3 1.664 1.140 6.247 32 H ASN 4 HN ASN 4 5.411 3.954 5.838 33 HA ASN 4 HA ASN 4 6.608 3.069 3.231 34 1HB ASN 4 HB2 ASN 4 8.737 3.871 4.223 35 2HB ASN 4 HB1 ASN 4 7.531 5.158 4.168 36 1HD2 ASN 4 HD21 ASN 4 9.176 5.900 6.008 37 2HD2 ASN 4 HD22 ASN 4 8.754 5.436 7.585 38 H ALA 5 HN ALA 5 5.479 0.950 4.100 39 HA ALA 5 HA ALA 5 6.811 -0.402 6.329 40 1HB ALA 5 HB1 ALA 5 5.221 -2.110 5.866 41 2HB ALA 5 HB2 ALA 5 5.078 -1.626 4.176 42 3HB ALA 5 HB3 ALA 5 4.389 -0.613 5.445 43 H LYS 6 HN LYS 6 7.961 0.376 3.375 44 HA LYS 6 HA LYS 6 9.784 -0.461 2.120 45 1HB LYS 6 HB2 LYS 6 9.930 -1.532 4.778 46 2HB LYS 6 HB1 LYS 6 10.421 -2.791 3.644 47 1HG LYS 6 HG2 LYS 6 11.620 -0.425 2.701 48 2HG LYS 6 HG1 LYS 6 11.857 -0.411 4.450 49 1HD LYS 6 HD2 LYS 6 13.016 -2.460 4.433 50 2HD LYS 6 HD1 LYS 6 12.393 -2.902 2.842 51 1HE LYS 6 HE2 LYS 6 14.542 -2.210 2.260 52 2HE LYS 6 HE1 LYS 6 13.682 -0.663 2.129 53 1HZ LYS 6 HZ1 LYS 6 15.398 -0.150 3.571 54 2HZ LYS 6 HZ2 LYS 6 15.359 -1.665 4.338 55 3HZ LYS 6 HZ3 LYS 6 14.140 -0.523 4.647 56 H CYS 7 HN CYS 7 7.295 -1.175 1.178 57 HA CYS 7 HA CYS 7 6.900 -4.033 0.926 58 1HB CYS 7 HB2 CYS 7 5.265 -3.283 -0.797 59 2HB CYS 7 HB1 CYS 7 5.124 -2.347 0.692 60 H ARG 8 HN ARG 8 7.004 -5.130 -1.273 61 HA ARG 8 HA ARG 8 9.335 -4.131 -2.879 62 1HB ARG 8 HB2 ARG 8 8.617 -6.920 -1.925 63 2HB ARG 8 HB1 ARG 8 9.898 -6.587 -3.091 64 1HG ARG 8 HG2 ARG 8 11.269 -6.315 -1.319 65 2HG ARG 8 HG1 ARG 8 10.414 -4.802 -1.018 66 1HD ARG 8 HD2 ARG 8 8.734 -6.110 0.349 67 2HD ARG 8 HD1 ARG 8 9.801 -7.519 0.189 68 HE ARG 8 HE ARG 8 11.196 -5.110 1.082 69 1HH1 ARG 8 HH21 ARG 8 8.790 -6.014 2.896 70 2HH1 ARG 8 HH22 ARG 8 9.662 -6.904 4.099 71 1HH2 ARG 8 HH11 ARG 8 12.585 -7.068 2.244 72 2HH2 ARG 8 HH12 ARG 8 11.809 -7.501 3.731 73 H GLY 9 HN GLY 9 6.068 -5.093 -2.892 74 1HA GLY 9 HA2 GLY 9 6.059 -5.057 -5.840 75 2HA GLY 9 HA1 GLY 9 5.487 -6.549 -5.094 76 H SER 10 HN SER 10 3.719 -5.206 -6.634 77 HA SER 10 HA SER 10 2.122 -3.218 -5.328 78 1HB SER 10 HB2 SER 10 0.544 -4.775 -7.096 79 2HB SER 10 HB1 SER 10 1.355 -3.252 -7.444 80 HG SER 10 HG SER 10 2.187 -4.717 -8.856 81 HA PRO 11 HA PRO 11 -0.751 -6.980 -4.185 82 1HB PRO 11 HB2 PRO 11 0.978 -9.258 -3.869 83 2HB PRO 11 HB1 PRO 11 -0.365 -9.055 -4.997 84 1HG PRO 11 HG2 PRO 11 2.431 -9.091 -5.601 85 2HG PRO 11 HG1 PRO 11 1.086 -8.845 -6.719 86 1HD PRO 11 HD2 PRO 11 3.004 -6.904 -5.780 87 2HD PRO 11 HD1 PRO 11 1.677 -6.654 -6.940 88 H GLU 12 HN GLU 12 2.362 -6.140 -3.023 89 HA GLU 12 HA GLU 12 2.015 -7.304 -0.340 90 1HB GLU 12 HB2 GLU 12 4.077 -6.129 -1.979 91 2HB GLU 12 HB1 GLU 12 4.036 -5.307 -0.418 92 1HG GLU 12 HG2 GLU 12 4.803 -7.130 0.691 93 2HG GLU 12 HG1 GLU 12 3.765 -8.228 -0.218 94 H CYS 13 HN CYS 13 2.021 -4.035 -1.791 95 HA CYS 13 HA CYS 13 1.318 -2.649 0.637 96 1HB CYS 13 HB2 CYS 13 2.382 -1.638 -1.359 97 2HB CYS 13 HB1 CYS 13 0.919 -1.951 -2.293 98 H LEU 14 HN LEU 14 -0.529 -4.421 -1.757 99 HA LEU 14 HA LEU 14 -3.095 -3.268 -1.444 100 1HB LEU 14 HB2 LEU 14 -1.871 -5.679 -2.472 101 2HB LEU 14 HB1 LEU 14 -3.386 -6.075 -1.661 102 HG LEU 14 HG LEU 14 -3.998 -3.769 -3.087 103 1HD1 LEU 14 HD11 LEU 14 -2.850 -5.467 -5.206 104 2HD1 LEU 14 HD12 LEU 14 -1.648 -4.645 -4.211 105 3HD1 LEU 14 HD13 LEU 14 -2.875 -3.709 -5.063 106 1HD2 LEU 14 HD21 LEU 14 -4.705 -6.559 -3.007 107 2HD2 LEU 14 HD22 LEU 14 -4.680 -6.016 -4.684 108 3HD2 LEU 14 HD23 LEU 14 -5.697 -5.189 -3.505 109 HA PRO 15 HA PRO 15 -3.868 -6.369 2.221 110 1HB PRO 15 HB2 PRO 15 -1.278 -7.147 3.202 111 2HB PRO 15 HB1 PRO 15 -2.536 -8.186 2.528 112 1HG PRO 15 HG2 PRO 15 -0.037 -7.399 1.319 113 2HG PRO 15 HG1 PRO 15 -1.259 -8.505 0.686 114 1HD PRO 15 HD2 PRO 15 -0.649 -5.880 -0.269 115 2HD PRO 15 HD1 PRO 15 -1.973 -6.942 -0.802 116 H LYS 16 HN LYS 16 -0.739 -4.634 2.265 117 HA LYS 16 HA LYS 16 -0.811 -3.659 4.928 118 1HB LYS 16 HB2 LYS 16 0.339 -2.737 2.300 119 2HB LYS 16 HB1 LYS 16 0.541 -1.746 3.745 120 1HG LYS 16 HG2 LYS 16 1.161 -4.668 3.933 121 2HG LYS 16 HG1 LYS 16 2.322 -3.616 3.123 122 1HD LYS 16 HD2 LYS 16 2.539 -2.222 5.078 123 2HD LYS 16 HD1 LYS 16 1.202 -3.049 5.880 124 1HE LYS 16 HE2 LYS 16 3.528 -3.788 6.630 125 2HE LYS 16 HE1 LYS 16 2.489 -5.103 6.044 126 1HZ LYS 16 HZ1 LYS 16 3.624 -5.274 4.101 127 2HZ LYS 16 HZ2 LYS 16 4.902 -4.708 5.067 128 3HZ LYS 16 HZ3 LYS 16 4.051 -3.634 4.061 129 H CYS 17 HN CYS 17 -2.248 -2.344 1.946 130 HA CYS 17 HA CYS 17 -3.245 0.093 3.131 131 1HB CYS 17 HB2 CYS 17 -3.840 -1.553 0.665 132 2HB CYS 17 HB1 CYS 17 -4.721 -0.064 1.008 133 H LYS 18 HN LYS 18 -4.710 -3.104 2.498 134 HA LYS 18 HA LYS 18 -7.366 -2.605 3.268 135 1HB LYS 18 HB2 LYS 18 -6.632 -4.709 2.327 136 2HB LYS 18 HB1 LYS 18 -5.534 -4.987 3.679 137 1HG LYS 18 HG2 LYS 18 -7.196 -6.085 4.725 138 2HG LYS 18 HG1 LYS 18 -8.071 -4.557 4.832 139 1HD LYS 18 HD2 LYS 18 -9.638 -5.505 3.513 140 2HD LYS 18 HD1 LYS 18 -8.471 -5.367 2.197 141 1HE LYS 18 HE2 LYS 18 -7.559 -7.613 2.802 142 2HE LYS 18 HE1 LYS 18 -8.822 -7.758 4.042 143 1HZ LYS 18 HZ1 LYS 18 -9.591 -6.967 1.321 144 2HZ LYS 18 HZ2 LYS 18 -10.484 -7.819 2.490 145 3HZ LYS 18 HZ3 LYS 18 -9.255 -8.604 1.617 146 H GLU 19 HN GLU 19 -4.503 -3.163 5.290 147 HA GLU 19 HA GLU 19 -6.121 -3.008 7.770 148 1HB GLU 19 HB2 GLU 19 -3.683 -4.192 6.888 149 2HB GLU 19 HB1 GLU 19 -3.274 -3.051 8.169 150 1HG GLU 19 HG2 GLU 19 -4.136 -4.413 9.741 151 2HG GLU 19 HG1 GLU 19 -5.664 -4.527 8.866 152 H ALA 20 HN ALA 20 -4.420 -0.903 5.676 153 HA ALA 20 HA ALA 20 -3.566 1.028 7.708 154 1HB ALA 20 HB1 ALA 20 -3.076 0.430 4.995 155 2HB ALA 20 HB2 ALA 20 -2.344 1.728 5.939 156 3HB ALA 20 HB3 ALA 20 -3.805 2.036 5.000 157 H ILE 21 HN ILE 21 -5.854 1.345 4.961 158 HA ILE 21 HA ILE 21 -7.434 3.271 6.627 159 HB ILE 21 HB ILE 21 -8.076 4.240 4.503 160 1HG1 ILE 21 HG12 ILE 21 -6.707 1.817 3.289 161 2HG1 ILE 21 HG11 ILE 21 -8.434 2.175 3.245 162 1HG2 ILE 21 HG21 ILE 21 -5.154 3.487 4.691 163 2HG2 ILE 21 HG22 ILE 21 -5.917 5.004 5.165 164 3HG2 ILE 21 HG23 ILE 21 -5.760 4.591 3.457 165 1HD1 ILE 21 HD11 ILE 21 -7.992 4.221 1.952 166 2HD1 ILE 21 HD12 ILE 21 -7.331 2.812 1.123 167 3HD1 ILE 21 HD13 ILE 21 -6.260 3.895 2.012 168 H GLY 22 HN GLY 22 -7.635 0.383 4.589 169 1HA GLY 22 HA2 GLY 22 -9.357 -1.296 5.305 170 2HA GLY 22 HA1 GLY 22 -10.473 0.059 5.484 171 H LYS 23 HN LYS 23 -8.195 -0.158 2.821 172 HA LYS 23 HA LYS 23 -10.389 -0.987 0.973 173 1HB LYS 23 HB2 LYS 23 -8.830 1.590 1.060 174 2HB LYS 23 HB1 LYS 23 -9.476 0.999 -0.472 175 1HG LYS 23 HG2 LYS 23 -11.238 1.179 1.966 176 2HG LYS 23 HG1 LYS 23 -10.959 2.595 0.951 177 1HD LYS 23 HD2 LYS 23 -11.598 1.059 -1.031 178 2HD LYS 23 HD1 LYS 23 -12.260 -0.020 0.199 179 1HE LYS 23 HE2 LYS 23 -13.007 2.914 0.064 180 2HE LYS 23 HE1 LYS 23 -13.926 1.652 -0.779 181 1HZ LYS 23 HZ1 LYS 23 -13.964 0.436 1.394 182 2HZ LYS 23 HZ2 LYS 23 -14.883 1.865 1.364 183 3HZ LYS 23 HZ3 LYS 23 -13.365 1.843 2.129 184 H ALA 24 HN ALA 24 -9.496 -2.737 -0.056 185 HA ALA 24 HA ALA 24 -6.655 -3.199 -0.288 186 1HB ALA 24 HB1 ALA 24 -7.758 -5.190 -0.412 187 2HB ALA 24 HB2 ALA 24 -7.890 -4.827 -2.133 188 3HB ALA 24 HB3 ALA 24 -9.223 -4.439 -1.044 189 H ALA 25 HN ALA 25 -6.590 -0.778 -1.300 190 HA ALA 25 HA ALA 25 -6.265 -1.183 -4.238 191 1HB ALA 25 HB1 ALA 25 -8.323 -0.121 -4.301 192 2HB ALA 25 HB2 ALA 25 -7.277 1.296 -4.236 193 3HB ALA 25 HB3 ALA 25 -8.056 0.707 -2.767 194 H GLY 26 HN GLY 26 -4.009 -0.965 -4.197 195 1HA GLY 26 HA2 GLY 26 -2.892 1.665 -3.935 196 2HA GLY 26 HA1 GLY 26 -2.494 0.708 -2.508 197 H LYS 27 HN LYS 27 -0.277 1.287 -3.686 198 HA LYS 27 HA LYS 27 0.495 -1.186 -5.159 199 1HB LYS 27 HB2 LYS 27 0.792 1.684 -6.075 200 2HB LYS 27 HB1 LYS 27 1.751 0.373 -6.762 201 1HG LYS 27 HG2 LYS 27 0.029 0.027 -8.182 202 2HG LYS 27 HG1 LYS 27 -0.848 -0.625 -6.798 203 1HD LYS 27 HD2 LYS 27 -2.333 1.049 -7.052 204 2HD LYS 27 HD1 LYS 27 -1.063 2.164 -6.546 205 1HE LYS 27 HE2 LYS 27 -0.617 1.472 -9.301 206 2HE LYS 27 HE1 LYS 27 -2.295 2.016 -9.104 207 1HZ LYS 27 HZ1 LYS 27 -1.603 3.982 -8.052 208 2HZ LYS 27 HZ2 LYS 27 -0.568 3.825 -9.392 209 3HZ LYS 27 HZ3 LYS 27 -0.017 3.422 -7.837 210 H CYS 28 HN CYS 28 3.107 -0.668 -5.653 211 HA CYS 28 HA CYS 28 4.236 0.245 -3.027 212 1HB CYS 28 HB2 CYS 28 4.144 -2.199 -3.170 213 2HB CYS 28 HB1 CYS 28 4.947 -2.160 -4.740 214 H MET 29 HN MET 29 5.383 2.082 -3.538 215 HA MET 29 HA MET 29 7.228 1.951 -5.899 216 1HB MET 29 HB2 MET 29 5.001 3.292 -6.091 217 2HB MET 29 HB1 MET 29 5.791 4.452 -5.023 218 1HG MET 29 HG2 MET 29 6.803 5.328 -6.833 219 2HG MET 29 HG1 MET 29 7.706 3.820 -6.988 220 1HE MET 29 HE1 MET 29 7.943 2.770 -8.684 221 2HE MET 29 HE2 MET 29 6.990 2.629 -10.159 222 3HE MET 29 HE3 MET 29 6.595 1.627 -8.766 223 H ASN 30 HN ASN 30 9.210 3.110 -5.601 224 HA ASN 30 HA ASN 30 11.043 3.858 -4.303 225 1HB ASN 30 HB2 ASN 30 8.665 5.314 -3.104 226 2HB ASN 30 HB1 ASN 30 10.343 5.738 -2.766 227 1HD2 ASN 30 HD21 ASN 30 11.276 7.222 -4.187 228 2HD2 ASN 30 HD22 ASN 30 10.678 7.592 -5.731 229 H GLY 31 HN GLY 31 9.431 1.442 -3.354 230 1HA GLY 31 HA2 GLY 31 9.620 -0.041 -1.538 231 2HA GLY 31 HA1 GLY 31 10.823 1.054 -0.854 232 H LYS 32 HN LYS 32 7.448 1.790 -1.692 233 HA LYS 32 HA LYS 32 6.817 2.059 1.214 234 1HB LYS 32 HB2 LYS 32 6.975 4.150 -0.914 235 2HB LYS 32 HB1 LYS 32 5.678 4.297 0.274 236 1HG LYS 32 HG2 LYS 32 7.195 4.432 2.086 237 2HG LYS 32 HG1 LYS 32 8.534 3.810 1.121 238 1HD LYS 32 HD2 LYS 32 8.849 6.194 1.361 239 2HD LYS 32 HD1 LYS 32 8.366 5.881 -0.306 240 1HE LYS 32 HE2 LYS 32 6.947 7.664 0.277 241 2HE LYS 32 HE1 LYS 32 5.924 6.262 0.654 242 1HZ LYS 32 HZ1 LYS 32 7.768 7.561 2.588 243 2HZ LYS 32 HZ2 LYS 32 6.669 6.307 2.916 244 3HZ LYS 32 HZ3 LYS 32 6.100 7.859 2.520 245 H CYS 33 HN CYS 33 4.468 2.153 1.597 246 HA CYS 33 HA CYS 33 2.946 0.706 -0.522 247 1HB CYS 33 HB2 CYS 33 3.205 -0.261 1.749 248 2HB CYS 33 HB1 CYS 33 2.432 1.165 2.434 249 H LYS 34 HN LYS 34 1.701 2.033 -1.791 250 HA LYS 34 HA LYS 34 0.605 4.552 -0.614 251 1HB LYS 34 HB2 LYS 34 0.836 3.530 -3.467 252 2HB LYS 34 HB1 LYS 34 0.294 5.144 -3.002 253 1HG LYS 34 HG2 LYS 34 2.451 5.795 -3.053 254 2HG LYS 34 HG1 LYS 34 2.725 4.770 -1.643 255 1HD LYS 34 HD2 LYS 34 4.298 4.130 -3.381 256 2HD LYS 34 HD1 LYS 34 3.112 2.838 -3.193 257 1HE LYS 34 HE2 LYS 34 3.209 3.124 -5.539 258 2HE LYS 34 HE1 LYS 34 1.809 4.117 -5.087 259 1HZ LYS 34 HZ1 LYS 34 4.063 5.011 -6.362 260 2HZ LYS 34 HZ2 LYS 34 4.280 5.518 -4.755 261 3HZ LYS 34 HZ3 LYS 34 2.889 5.979 -5.614 262 H CYS 35 HN CYS 35 -1.526 4.514 0.003 263 HA CYS 35 HA CYS 35 -3.269 2.337 -1.077 264 1HB CYS 35 HB2 CYS 35 -3.501 4.109 1.375 265 2HB CYS 35 HB1 CYS 35 -4.550 2.744 0.991 266 H TYR 36 HN TYR 36 -5.333 2.848 -1.899 267 HA TYR 36 HA TYR 36 -5.962 5.756 -2.271 268 1HB TYR 36 HB2 TYR 36 -5.885 3.480 -4.271 269 2HB TYR 36 HB1 TYR 36 -6.717 4.999 -4.601 270 HD1 TYR 36 HD1 TYR 36 -5.524 6.876 -5.377 271 HD2 TYR 36 HD2 TYR 36 -3.400 3.601 -3.583 272 HE1 TYR 36 HE1 TYR 36 -3.369 7.918 -6.026 273 HE2 TYR 36 HE2 TYR 36 -1.245 4.643 -4.231 274 HH TYR 36 HH TYR 36 -0.867 7.737 -5.023 275 HA PRO 37 HA PRO 37 -9.962 4.638 -0.784 276 1HB PRO 37 HB2 PRO 37 -11.301 6.430 -2.593 277 2HB PRO 37 HB1 PRO 37 -10.920 6.689 -0.889 278 1HG PRO 37 HG2 PRO 37 -9.703 7.932 -3.171 279 2HG PRO 37 HG1 PRO 37 -9.322 8.185 -1.466 280 1HD PRO 37 HD2 PRO 37 -7.741 6.806 -3.446 281 2HD PRO 37 HD1 PRO 37 -7.360 7.056 -1.725 Start of MODEL 5 1 1H VAL 1 HT1 VAL 1 -2.820 8.965 0.578 2 2H VAL 1 HT2 VAL 1 -4.245 9.479 1.348 3 3H VAL 1 HT3 VAL 1 -4.177 7.948 0.615 4 HA VAL 1 HA VAL 1 -2.844 8.841 3.108 5 HB VAL 1 HB VAL 1 -4.829 6.736 2.219 6 1HG1 VAL 1 HG11 VAL 1 -4.045 5.385 3.844 7 2HG1 VAL 1 HG12 VAL 1 -4.530 6.613 5.013 8 3HG1 VAL 1 HG13 VAL 1 -2.888 6.608 4.370 9 1HG2 VAL 1 HG21 VAL 1 -6.110 7.849 4.147 10 2HG2 VAL 1 HG22 VAL 1 -5.885 8.822 2.694 11 3HG2 VAL 1 HG23 VAL 1 -4.868 9.101 4.107 12 H PHE 2 HN PHE 2 -0.641 8.512 2.383 13 HA PHE 2 HA PHE 2 0.043 5.737 1.492 14 1HB PHE 2 HB2 PHE 2 1.366 8.451 1.297 15 2HB PHE 2 HB1 PHE 2 2.232 6.966 0.913 16 HD1 PHE 2 HD1 PHE 2 2.232 8.595 -1.296 17 HD2 PHE 2 HD2 PHE 2 -1.082 6.265 0.136 18 HE1 PHE 2 HE1 PHE 2 1.242 8.600 -3.570 19 HE2 PHE 2 HE2 PHE 2 -2.067 6.269 -2.136 20 HZ PHE 2 HZ PHE 2 -0.907 7.439 -3.991 21 H ILE 3 HN ILE 3 1.934 4.723 2.504 22 HA ILE 3 HA ILE 3 2.724 5.856 5.154 23 HB ILE 3 HB ILE 3 2.467 3.392 5.948 24 1HG1 ILE 3 HG12 ILE 3 0.677 3.391 3.495 25 2HG1 ILE 3 HG11 ILE 3 2.148 2.438 3.687 26 1HG2 ILE 3 HG21 ILE 3 0.892 5.565 6.200 27 2HG2 ILE 3 HG22 ILE 3 0.456 3.994 6.874 28 3HG2 ILE 3 HG23 ILE 3 -0.220 4.509 5.329 29 1HD1 ILE 3 HD11 ILE 3 1.163 0.951 5.121 30 2HD1 ILE 3 HD12 ILE 3 -0.306 1.484 4.302 31 3HD1 ILE 3 HD13 ILE 3 0.140 2.184 5.858 32 H ASN 4 HN ASN 4 4.791 5.046 5.898 33 HA ASN 4 HA ASN 4 6.697 4.508 3.783 34 1HB ASN 4 HB2 ASN 4 8.282 4.557 5.631 35 2HB ASN 4 HB1 ASN 4 7.073 5.815 5.895 36 1HD2 ASN 4 HD21 ASN 4 5.490 5.478 7.610 37 2HD2 ASN 4 HD22 ASN 4 5.701 4.272 8.785 38 H ALA 5 HN ALA 5 4.511 2.440 5.201 39 HA ALA 5 HA ALA 5 5.743 0.126 6.045 40 1HB ALA 5 HB1 ALA 5 3.565 -0.431 5.830 41 2HB ALA 5 HB2 ALA 5 3.829 -0.648 4.099 42 3HB ALA 5 HB3 ALA 5 3.305 0.917 4.722 43 H LYS 6 HN LYS 6 7.722 -0.516 5.180 44 HA LYS 6 HA LYS 6 8.572 -0.303 2.488 45 1HB LYS 6 HB2 LYS 6 9.435 -1.392 4.973 46 2HB LYS 6 HB1 LYS 6 9.645 -2.649 3.753 47 1HG LYS 6 HG2 LYS 6 10.518 -0.308 2.493 48 2HG LYS 6 HG1 LYS 6 11.155 -0.190 4.133 49 1HD LYS 6 HD2 LYS 6 12.151 -2.423 3.934 50 2HD LYS 6 HD1 LYS 6 11.474 -2.596 2.314 51 1HE LYS 6 HE2 LYS 6 12.826 -0.163 2.182 52 2HE LYS 6 HE1 LYS 6 13.899 -1.191 3.151 53 1HZ LYS 6 HZ1 LYS 6 14.469 -1.958 1.109 54 2HZ LYS 6 HZ2 LYS 6 12.982 -1.540 0.402 55 3HZ LYS 6 HZ3 LYS 6 13.111 -2.946 1.348 56 H CYS 7 HN CYS 7 7.088 -1.049 0.941 57 HA CYS 7 HA CYS 7 5.645 -3.548 1.151 58 1HB CYS 7 HB2 CYS 7 5.216 -3.051 -1.291 59 2HB CYS 7 HB1 CYS 7 4.846 -1.706 -0.212 60 H ARG 8 HN ARG 8 6.065 -4.807 -1.293 61 HA ARG 8 HA ARG 8 8.937 -5.666 -1.169 62 1HB ARG 8 HB2 ARG 8 6.366 -7.145 -0.905 63 2HB ARG 8 HB1 ARG 8 7.645 -7.944 -1.820 64 1HG ARG 8 HG2 ARG 8 8.980 -6.928 0.393 65 2HG ARG 8 HG1 ARG 8 7.441 -7.476 1.059 66 1HD ARG 8 HD2 ARG 8 7.902 -9.687 0.641 67 2HD ARG 8 HD1 ARG 8 8.752 -9.325 -0.874 68 HE ARG 8 HE ARG 8 10.744 -8.861 0.387 69 1HH1 ARG 8 HH21 ARG 8 9.496 -7.440 2.707 70 2HH1 ARG 8 HH22 ARG 8 9.741 -8.567 4.000 71 1HH2 ARG 8 HH11 ARG 8 10.417 -11.240 1.898 72 2HH2 ARG 8 HH12 ARG 8 10.264 -10.717 3.542 73 H GLY 9 HN GLY 9 5.954 -5.533 -3.120 74 1HA GLY 9 HA2 GLY 9 7.550 -4.996 -5.525 75 2HA GLY 9 HA1 GLY 9 6.671 -6.525 -5.556 76 H SER 10 HN SER 10 4.272 -5.993 -4.461 77 HA SER 10 HA SER 10 2.979 -3.551 -4.999 78 1HB SER 10 HB2 SER 10 3.264 -3.438 -7.249 79 2HB SER 10 HB1 SER 10 3.746 -5.129 -7.352 80 HG SER 10 HG SER 10 1.788 -4.870 -8.402 81 HA PRO 11 HA PRO 11 -0.334 -7.098 -5.314 82 1HB PRO 11 HB2 PRO 11 1.055 -9.571 -4.830 83 2HB PRO 11 HB1 PRO 11 0.151 -9.092 -6.269 84 1HG PRO 11 HG2 PRO 11 2.998 -9.338 -5.975 85 2HG PRO 11 HG1 PRO 11 2.088 -8.875 -7.415 86 1HD PRO 11 HD2 PRO 11 3.731 -7.195 -5.764 87 2HD PRO 11 HD1 PRO 11 2.770 -6.719 -7.185 88 H GLU 12 HN GLU 12 2.364 -6.822 -3.192 89 HA GLU 12 HA GLU 12 0.987 -8.135 -0.916 90 1HB GLU 12 HB2 GLU 12 3.630 -6.651 -1.093 91 2HB GLU 12 HB1 GLU 12 3.120 -7.733 0.204 92 1HG GLU 12 HG2 GLU 12 2.813 -9.457 -1.774 93 2HG GLU 12 HG1 GLU 12 3.958 -8.397 -2.597 94 H CYS 13 HN CYS 13 1.448 -4.975 -2.279 95 HA CYS 13 HA CYS 13 1.071 -3.424 0.135 96 1HB CYS 13 HB2 CYS 13 1.511 -3.066 -2.686 97 2HB CYS 13 HB1 CYS 13 0.188 -2.018 -2.174 98 H LEU 14 HN LEU 14 -1.137 -4.666 -2.378 99 HA LEU 14 HA LEU 14 -3.498 -3.320 -1.721 100 1HB LEU 14 HB2 LEU 14 -2.650 -5.790 -3.009 101 2HB LEU 14 HB1 LEU 14 -4.213 -5.982 -2.217 102 HG LEU 14 HG LEU 14 -4.842 -3.741 -3.341 103 1HD1 LEU 14 HD11 LEU 14 -2.784 -2.912 -4.128 104 2HD1 LEU 14 HD12 LEU 14 -3.534 -3.570 -5.583 105 3HD1 LEU 14 HD13 LEU 14 -2.281 -4.485 -4.744 106 1HD2 LEU 14 HD21 LEU 14 -4.773 -6.473 -4.347 107 2HD2 LEU 14 HD22 LEU 14 -4.750 -5.304 -5.666 108 3HD2 LEU 14 HD23 LEU 14 -6.055 -5.270 -4.480 109 HA PRO 15 HA PRO 15 -4.420 -6.692 1.659 110 1HB PRO 15 HB2 PRO 15 -1.884 -7.820 2.422 111 2HB PRO 15 HB1 PRO 15 -3.273 -8.652 1.715 112 1HG PRO 15 HG2 PRO 15 -0.761 -8.027 0.463 113 2HG PRO 15 HG1 PRO 15 -2.140 -8.885 -0.230 114 1HD PRO 15 HD2 PRO 15 -1.228 -6.236 -0.865 115 2HD PRO 15 HD1 PRO 15 -2.653 -7.080 -1.514 116 H LYS 16 HN LYS 16 -1.215 -5.134 1.653 117 HA LYS 16 HA LYS 16 -1.088 -4.517 4.451 118 1HB LYS 16 HB2 LYS 16 0.100 -3.319 1.936 119 2HB LYS 16 HB1 LYS 16 0.543 -2.761 3.551 120 1HG LYS 16 HG2 LYS 16 0.657 -5.688 2.845 121 2HG LYS 16 HG1 LYS 16 2.004 -4.612 2.466 122 1HD LYS 16 HD2 LYS 16 1.719 -3.864 4.980 123 2HD LYS 16 HD1 LYS 16 0.934 -5.436 5.145 124 1HE LYS 16 HE2 LYS 16 2.932 -6.552 4.230 125 2HE LYS 16 HE1 LYS 16 3.726 -4.977 4.028 126 1HZ LYS 16 HZ1 LYS 16 4.154 -6.237 6.195 127 2HZ LYS 16 HZ2 LYS 16 2.570 -5.796 6.622 128 3HZ LYS 16 HZ3 LYS 16 3.734 -4.598 6.311 129 H CYS 17 HN CYS 17 -2.030 -2.439 1.671 130 HA CYS 17 HA CYS 17 -2.834 -0.162 3.135 131 1HB CYS 17 HB2 CYS 17 -3.851 -1.438 0.578 132 2HB CYS 17 HB1 CYS 17 -4.357 0.165 1.111 133 H LYS 18 HN LYS 18 -4.636 -3.141 2.380 134 HA LYS 18 HA LYS 18 -7.204 -2.401 3.318 135 1HB LYS 18 HB2 LYS 18 -6.621 -4.473 2.093 136 2HB LYS 18 HB1 LYS 18 -5.726 -5.050 3.499 137 1HG LYS 18 HG2 LYS 18 -7.716 -6.067 3.994 138 2HG LYS 18 HG1 LYS 18 -8.107 -4.483 4.665 139 1HD LYS 18 HD2 LYS 18 -9.711 -4.156 3.123 140 2HD LYS 18 HD1 LYS 18 -8.590 -4.519 1.811 141 1HE LYS 18 HE2 LYS 18 -9.221 -6.745 1.708 142 2HE LYS 18 HE1 LYS 18 -9.623 -6.815 3.436 143 1HZ LYS 18 HZ1 LYS 18 -11.137 -5.338 1.348 144 2HZ LYS 18 HZ2 LYS 18 -11.492 -5.321 3.009 145 3HZ LYS 18 HZ3 LYS 18 -11.642 -6.760 2.119 146 H GLU 19 HN GLU 19 -4.440 -3.799 5.108 147 HA GLU 19 HA GLU 19 -5.841 -3.709 7.673 148 1HB GLU 19 HB2 GLU 19 -2.891 -4.014 7.024 149 2HB GLU 19 HB1 GLU 19 -3.699 -4.520 8.507 150 1HG GLU 19 HG2 GLU 19 -4.542 -5.579 5.807 151 2HG GLU 19 HG1 GLU 19 -3.256 -6.344 6.741 152 H ALA 20 HN ALA 20 -4.312 -1.384 5.731 153 HA ALA 20 HA ALA 20 -3.531 0.307 8.067 154 1HB ALA 20 HB1 ALA 20 -1.770 0.204 6.533 155 2HB ALA 20 HB2 ALA 20 -2.601 1.666 6.001 156 3HB ALA 20 HB3 ALA 20 -2.856 0.145 5.144 157 H ILE 21 HN ILE 21 -5.291 0.586 4.946 158 HA ILE 21 HA ILE 21 -6.696 2.993 6.007 159 HB ILE 21 HB ILE 21 -5.503 2.884 3.756 160 1HG1 ILE 21 HG12 ILE 21 -8.483 3.453 3.658 161 2HG1 ILE 21 HG11 ILE 21 -7.281 4.556 4.327 162 1HG2 ILE 21 HG21 ILE 21 -6.844 0.506 3.488 163 2HG2 ILE 21 HG22 ILE 21 -6.154 1.414 2.145 164 3HG2 ILE 21 HG23 ILE 21 -7.862 1.591 2.544 165 1HD1 ILE 21 HD11 ILE 21 -6.915 3.485 1.546 166 2HD1 ILE 21 HD12 ILE 21 -6.322 4.992 2.243 167 3HD1 ILE 21 HD13 ILE 21 -8.027 4.826 1.821 168 H GLY 22 HN GLY 22 -7.247 -0.353 5.083 169 1HA GLY 22 HA2 GLY 22 -9.253 -1.356 6.263 170 2HA GLY 22 HA1 GLY 22 -10.154 0.038 5.669 171 H LYS 23 HN LYS 23 -8.694 -0.035 3.058 172 HA LYS 23 HA LYS 23 -9.900 -2.530 1.907 173 1HB LYS 23 HB2 LYS 23 -10.255 0.376 1.237 174 2HB LYS 23 HB1 LYS 23 -10.381 -0.818 -0.056 175 1HG LYS 23 HG2 LYS 23 -12.590 -0.702 0.694 176 2HG LYS 23 HG1 LYS 23 -11.968 -2.066 1.623 177 1HD LYS 23 HD2 LYS 23 -12.408 -0.981 3.542 178 2HD LYS 23 HD1 LYS 23 -11.362 0.348 3.042 179 1HE LYS 23 HE2 LYS 23 -13.202 1.433 1.870 180 2HE LYS 23 HE1 LYS 23 -14.265 0.048 2.190 181 1HZ LYS 23 HZ1 LYS 23 -13.788 0.389 4.594 182 2HZ LYS 23 HZ2 LYS 23 -14.661 1.662 3.883 183 3HZ LYS 23 HZ3 LYS 23 -13.000 1.838 4.195 184 H ALA 24 HN ALA 24 -8.750 -3.393 0.120 185 HA ALA 24 HA ALA 24 -5.926 -2.632 -0.063 186 1HB ALA 24 HB1 ALA 24 -7.735 -4.715 -1.298 187 2HB ALA 24 HB2 ALA 24 -6.447 -4.951 -0.119 188 3HB ALA 24 HB3 ALA 24 -6.050 -4.553 -1.791 189 H ALA 25 HN ALA 25 -5.876 -0.556 -1.069 190 HA ALA 25 HA ALA 25 -6.493 -0.590 -3.985 191 1HB ALA 25 HB1 ALA 25 -8.327 0.676 -3.597 192 2HB ALA 25 HB2 ALA 25 -7.249 1.950 -3.025 193 3HB ALA 25 HB3 ALA 25 -7.935 0.795 -1.882 194 H GLY 26 HN GLY 26 -3.927 -0.794 -2.976 195 1HA GLY 26 HA2 GLY 26 -2.800 1.852 -3.720 196 2HA GLY 26 HA1 GLY 26 -2.284 1.134 -2.195 197 H LYS 27 HN LYS 27 -0.216 1.481 -3.705 198 HA LYS 27 HA LYS 27 0.387 -1.215 -4.843 199 1HB LYS 27 HB2 LYS 27 1.122 1.447 -6.102 200 2HB LYS 27 HB1 LYS 27 1.385 -0.155 -6.792 201 1HG LYS 27 HG2 LYS 27 -0.982 -0.529 -7.027 202 2HG LYS 27 HG1 LYS 27 -1.359 0.926 -6.103 203 1HD LYS 27 HD2 LYS 27 0.112 0.897 -8.755 204 2HD LYS 27 HD1 LYS 27 -1.597 1.283 -8.555 205 1HE LYS 27 HE2 LYS 27 -0.887 3.121 -6.941 206 2HE LYS 27 HE1 LYS 27 0.780 2.830 -7.478 207 1HZ LYS 27 HZ1 LYS 27 -0.446 2.884 -9.814 208 2HZ LYS 27 HZ2 LYS 27 0.173 4.287 -9.084 209 3HZ LYS 27 HZ3 LYS 27 -1.483 3.923 -8.964 210 H CYS 28 HN CYS 28 2.938 -1.166 -5.342 211 HA CYS 28 HA CYS 28 4.237 -0.069 -2.876 212 1HB CYS 28 HB2 CYS 28 4.381 -2.440 -2.971 213 2HB CYS 28 HB1 CYS 28 4.705 -2.434 -4.703 214 H MET 29 HN MET 29 5.447 1.747 -3.274 215 HA MET 29 HA MET 29 7.128 1.837 -5.733 216 1HB MET 29 HB2 MET 29 4.750 3.464 -5.063 217 2HB MET 29 HB1 MET 29 6.147 4.391 -5.610 218 1HG MET 29 HG2 MET 29 5.772 3.761 -7.735 219 2HG MET 29 HG1 MET 29 5.866 2.063 -7.270 220 1HE MET 29 HE1 MET 29 2.821 1.434 -9.071 221 2HE MET 29 HE2 MET 29 3.562 0.496 -7.777 222 3HE MET 29 HE3 MET 29 4.582 1.372 -8.914 223 H ASN 30 HN ASN 30 8.944 3.277 -5.504 224 HA ASN 30 HA ASN 30 10.695 4.263 -4.253 225 1HB ASN 30 HB2 ASN 30 8.401 5.409 -2.647 226 2HB ASN 30 HB1 ASN 30 9.939 6.177 -3.041 227 1HD2 ASN 30 HD21 ASN 30 6.939 6.800 -3.740 228 2HD2 ASN 30 HD22 ASN 30 6.995 7.101 -5.410 229 H GLY 31 HN GLY 31 9.361 1.670 -3.243 230 1HA GLY 31 HA2 GLY 31 9.873 0.221 -1.453 231 2HA GLY 31 HA1 GLY 31 10.879 1.500 -0.768 232 H LYS 32 HN LYS 32 7.630 2.322 -1.604 233 HA LYS 32 HA LYS 32 6.791 2.068 1.265 234 1HB LYS 32 HB2 LYS 32 6.208 4.421 -0.548 235 2HB LYS 32 HB1 LYS 32 6.023 4.337 1.204 236 1HG LYS 32 HG2 LYS 32 8.426 4.206 1.509 237 2HG LYS 32 HG1 LYS 32 8.681 4.093 -0.233 238 1HD LYS 32 HD2 LYS 32 8.947 6.348 -0.125 239 2HD LYS 32 HD1 LYS 32 7.185 6.383 -0.049 240 1HE LYS 32 HE2 LYS 32 8.169 5.852 2.591 241 2HE LYS 32 HE1 LYS 32 9.024 7.268 1.947 242 1HZ LYS 32 HZ1 LYS 32 6.087 6.828 2.015 243 2HZ LYS 32 HZ2 LYS 32 6.832 8.094 1.162 244 3HZ LYS 32 HZ3 LYS 32 6.958 8.016 2.855 245 H CYS 33 HN CYS 33 4.349 2.248 1.459 246 HA CYS 33 HA CYS 33 3.071 0.893 -0.874 247 1HB CYS 33 HB2 CYS 33 3.158 0.101 1.640 248 2HB CYS 33 HB1 CYS 33 1.836 1.249 1.843 249 H LYS 34 HN LYS 34 1.837 2.161 -2.177 250 HA LYS 34 HA LYS 34 0.884 4.787 -1.157 251 1HB LYS 34 HB2 LYS 34 1.309 3.477 -3.836 252 2HB LYS 34 HB1 LYS 34 0.352 4.954 -3.707 253 1HG LYS 34 HG2 LYS 34 2.169 6.220 -2.931 254 2HG LYS 34 HG1 LYS 34 3.066 4.791 -2.416 255 1HD LYS 34 HD2 LYS 34 4.183 5.356 -4.384 256 2HD LYS 34 HD1 LYS 34 3.009 4.178 -4.971 257 1HE LYS 34 HE2 LYS 34 2.114 7.025 -4.878 258 2HE LYS 34 HE1 LYS 34 3.280 6.582 -6.141 259 1HZ LYS 34 HZ1 LYS 34 0.894 6.192 -6.740 260 2HZ LYS 34 HZ2 LYS 34 0.848 4.992 -5.538 261 3HZ LYS 34 HZ3 LYS 34 1.890 4.827 -6.871 262 H CYS 35 HN CYS 35 -0.950 4.049 0.109 263 HA CYS 35 HA CYS 35 -3.070 2.488 -1.232 264 1HB CYS 35 HB2 CYS 35 -3.111 3.863 1.467 265 2HB CYS 35 HB1 CYS 35 -4.051 2.462 0.959 266 H TYR 36 HN TYR 36 -4.983 3.397 -2.024 267 HA TYR 36 HA TYR 36 -5.045 6.334 -2.326 268 1HB TYR 36 HB2 TYR 36 -6.368 3.920 -3.488 269 2HB TYR 36 HB1 TYR 36 -7.233 5.452 -3.603 270 HD1 TYR 36 HD1 TYR 36 -3.580 5.477 -3.451 271 HD2 TYR 36 HD2 TYR 36 -6.979 5.433 -6.077 272 HE1 TYR 36 HE1 TYR 36 -2.128 6.158 -5.341 273 HE2 TYR 36 HE2 TYR 36 -5.526 6.115 -7.968 274 HH TYR 36 HH TYR 36 -3.176 6.042 -8.598 275 HA PRO 37 HA PRO 37 -7.871 7.131 0.958 276 1HB PRO 37 HB2 PRO 37 -9.353 9.058 -0.580 277 2HB PRO 37 HB1 PRO 37 -8.106 9.363 0.632 278 1HG PRO 37 HG2 PRO 37 -7.910 9.704 -2.207 279 2HG PRO 37 HG1 PRO 37 -6.660 9.985 -0.993 280 1HD PRO 37 HD2 PRO 37 -6.806 7.842 -2.926 281 2HD PRO 37 HD1 PRO 37 -5.537 8.138 -1.712 Start of MODEL 6 1 1H VAL 1 HT1 VAL 1 -4.163 8.850 -0.303 2 2H VAL 1 HT2 VAL 1 -4.158 7.674 0.924 3 3H VAL 1 HT3 VAL 1 -3.312 7.399 -0.523 4 HA VAL 1 HA VAL 1 -2.141 9.667 0.258 5 HB VAL 1 HB VAL 1 -1.958 9.603 2.686 6 1HG1 VAL 1 HG11 VAL 1 -4.546 9.764 1.309 7 2HG1 VAL 1 HG12 VAL 1 -3.834 10.859 2.495 8 3HG1 VAL 1 HG13 VAL 1 -4.696 9.417 3.031 9 1HG2 VAL 1 HG21 VAL 1 -2.966 6.893 2.259 10 2HG2 VAL 1 HG22 VAL 1 -3.853 7.735 3.530 11 3HG2 VAL 1 HG23 VAL 1 -2.102 7.558 3.646 12 H PHE 2 HN PHE 2 -0.141 8.836 1.996 13 HA PHE 2 HA PHE 2 0.871 6.320 0.703 14 1HB PHE 2 HB2 PHE 2 2.179 8.949 1.428 15 2HB PHE 2 HB1 PHE 2 3.126 7.502 1.083 16 HD1 PHE 2 HD1 PHE 2 0.304 9.514 -0.357 17 HD2 PHE 2 HD2 PHE 2 3.749 7.064 -1.120 18 HE1 PHE 2 HE1 PHE 2 0.067 9.938 -2.790 19 HE2 PHE 2 HE2 PHE 2 3.513 7.488 -3.550 20 HZ PHE 2 HZ PHE 2 1.671 8.925 -4.386 21 H ILE 3 HN ILE 3 2.051 4.893 2.067 22 HA ILE 3 HA ILE 3 2.133 5.604 4.978 23 HB ILE 3 HB ILE 3 1.438 3.165 5.324 24 1HG1 ILE 3 HG12 ILE 3 0.582 3.430 2.427 25 2HG1 ILE 3 HG11 ILE 3 2.001 2.519 2.948 26 1HG2 ILE 3 HG21 ILE 3 -0.972 3.664 4.820 27 2HG2 ILE 3 HG22 ILE 3 -0.445 5.114 3.967 28 3HG2 ILE 3 HG23 ILE 3 -0.153 4.956 5.699 29 1HD1 ILE 3 HD11 ILE 3 -0.688 1.984 4.193 30 2HD1 ILE 3 HD12 ILE 3 0.714 0.920 4.088 31 3HD1 ILE 3 HD13 ILE 3 -0.257 1.243 2.651 32 H ASN 4 HN ASN 4 4.044 4.996 5.971 33 HA ASN 4 HA ASN 4 6.191 3.899 4.276 34 1HB ASN 4 HB2 ASN 4 7.527 4.440 6.336 35 2HB ASN 4 HB1 ASN 4 6.590 5.809 5.737 36 1HD2 ASN 4 HD21 ASN 4 7.051 3.679 8.447 37 2HD2 ASN 4 HD22 ASN 4 5.804 4.303 9.414 38 H ALA 5 HN ALA 5 5.002 1.721 4.148 39 HA ALA 5 HA ALA 5 5.467 0.084 6.617 40 1HB ALA 5 HB1 ALA 5 3.850 -1.444 5.142 41 2HB ALA 5 HB2 ALA 5 3.472 0.103 4.382 42 3HB ALA 5 HB3 ALA 5 3.207 -0.119 6.112 43 H LYS 6 HN LYS 6 7.211 0.869 4.084 44 HA LYS 6 HA LYS 6 8.795 -0.230 2.706 45 1HB LYS 6 HB2 LYS 6 8.720 -1.293 5.384 46 2HB LYS 6 HB1 LYS 6 9.163 -2.577 4.259 47 1HG LYS 6 HG2 LYS 6 10.478 0.154 4.365 48 2HG LYS 6 HG1 LYS 6 11.150 -1.314 5.077 49 1HD LYS 6 HD2 LYS 6 10.344 -1.665 2.279 50 2HD LYS 6 HD1 LYS 6 11.600 -0.444 2.488 51 1HE LYS 6 HE2 LYS 6 12.316 -2.604 4.184 52 2HE LYS 6 HE1 LYS 6 11.869 -3.311 2.618 53 1HZ LYS 6 HZ1 LYS 6 13.246 -1.635 1.525 54 2HZ LYS 6 HZ2 LYS 6 14.172 -2.589 2.583 55 3HZ LYS 6 HZ3 LYS 6 13.714 -1.016 3.032 56 H CYS 7 HN CYS 7 6.457 -0.638 1.518 57 HA CYS 7 HA CYS 7 5.321 -3.227 1.395 58 1HB CYS 7 HB2 CYS 7 4.662 -2.447 -0.921 59 2HB CYS 7 HB1 CYS 7 4.321 -1.281 0.357 60 H ARG 8 HN ARG 8 5.790 -5.052 0.085 61 HA ARG 8 HA ARG 8 8.606 -5.212 -0.878 62 1HB ARG 8 HB2 ARG 8 6.552 -7.003 0.259 63 2HB ARG 8 HB1 ARG 8 7.504 -7.726 -1.038 64 1HG ARG 8 HG2 ARG 8 8.645 -6.357 1.417 65 2HG ARG 8 HG1 ARG 8 8.559 -8.101 1.170 66 1HD ARG 8 HD2 ARG 8 9.914 -7.750 -0.965 67 2HD ARG 8 HD1 ARG 8 10.199 -6.092 -0.399 68 HE ARG 8 HE ARG 8 11.457 -8.447 0.686 69 1HH1 ARG 8 HH21 ARG 8 9.649 -7.473 2.924 70 2HH1 ARG 8 HH22 ARG 8 10.706 -6.390 3.768 71 1HH2 ARG 8 HH11 ARG 8 12.991 -6.169 1.172 72 2HH2 ARG 8 HH12 ARG 8 12.595 -5.652 2.776 73 H GLY 9 HN GLY 9 5.264 -5.422 -1.988 74 1HA GLY 9 HA2 GLY 9 6.190 -5.207 -4.775 75 2HA GLY 9 HA1 GLY 9 5.288 -6.674 -4.394 76 H SER 10 HN SER 10 4.528 -4.400 -6.158 77 HA SER 10 HA SER 10 2.634 -2.640 -5.074 78 1HB SER 10 HB2 SER 10 2.848 -2.220 -7.295 79 2HB SER 10 HB1 SER 10 3.276 -3.891 -7.649 80 HG SER 10 HG SER 10 0.858 -2.611 -7.786 81 HA PRO 11 HA PRO 11 -0.783 -6.034 -5.754 82 1HB PRO 11 HB2 PRO 11 0.555 -8.581 -5.634 83 2HB PRO 11 HB1 PRO 11 -0.374 -7.899 -6.974 84 1HG PRO 11 HG2 PRO 11 2.472 -8.246 -6.796 85 2HG PRO 11 HG1 PRO 11 1.540 -7.578 -8.138 86 1HD PRO 11 HD2 PRO 11 3.265 -6.169 -6.324 87 2HD PRO 11 HD1 PRO 11 2.290 -5.485 -7.647 88 H GLU 12 HN GLU 12 2.125 -6.987 -3.910 89 HA GLU 12 HA GLU 12 0.753 -8.193 -1.695 90 1HB GLU 12 HB2 GLU 12 3.451 -7.049 -2.307 91 2HB GLU 12 HB1 GLU 12 3.060 -7.374 -0.618 92 1HG GLU 12 HG2 GLU 12 2.654 -9.433 -2.796 93 2HG GLU 12 HG1 GLU 12 4.166 -9.292 -1.899 94 H CYS 13 HN CYS 13 1.378 -4.874 -2.593 95 HA CYS 13 HA CYS 13 1.039 -3.658 -0.001 96 1HB CYS 13 HB2 CYS 13 1.506 -2.940 -2.731 97 2HB CYS 13 HB1 CYS 13 0.159 -1.969 -2.139 98 H LEU 14 HN LEU 14 -1.207 -4.710 -2.525 99 HA LEU 14 HA LEU 14 -3.546 -3.338 -1.810 100 1HB LEU 14 HB2 LEU 14 -2.739 -5.795 -3.177 101 2HB LEU 14 HB1 LEU 14 -4.331 -5.934 -2.435 102 HG LEU 14 HG LEU 14 -4.762 -3.589 -3.510 103 1HD1 LEU 14 HD11 LEU 14 -3.167 -2.773 -4.877 104 2HD1 LEU 14 HD12 LEU 14 -3.131 -4.279 -5.794 105 3HD1 LEU 14 HD13 LEU 14 -2.113 -4.091 -4.366 106 1HD2 LEU 14 HD21 LEU 14 -4.553 -5.677 -5.623 107 2HD2 LEU 14 HD22 LEU 14 -5.939 -4.697 -5.145 108 3HD2 LEU 14 HD23 LEU 14 -5.481 -6.104 -4.186 109 HA PRO 15 HA PRO 15 -4.542 -6.873 1.393 110 1HB PRO 15 HB2 PRO 15 -2.026 -8.095 2.066 111 2HB PRO 15 HB1 PRO 15 -3.440 -8.858 1.332 112 1HG PRO 15 HG2 PRO 15 -0.926 -8.188 0.085 113 2HG PRO 15 HG1 PRO 15 -2.310 -9.029 -0.620 114 1HD PRO 15 HD2 PRO 15 -1.419 -6.380 -1.213 115 2HD PRO 15 HD1 PRO 15 -2.898 -7.176 -1.800 116 H LYS 16 HN LYS 16 -1.164 -5.689 1.606 117 HA LYS 16 HA LYS 16 -1.156 -5.096 4.394 118 1HB LYS 16 HB2 LYS 16 0.355 -4.346 1.939 119 2HB LYS 16 HB1 LYS 16 0.585 -3.313 3.350 120 1HG LYS 16 HG2 LYS 16 1.838 -4.874 4.386 121 2HG LYS 16 HG1 LYS 16 0.634 -6.127 4.083 122 1HD LYS 16 HD2 LYS 16 1.614 -6.785 2.093 123 2HD LYS 16 HD1 LYS 16 2.300 -5.190 1.782 124 1HE LYS 16 HE2 LYS 16 4.158 -6.600 2.370 125 2HE LYS 16 HE1 LYS 16 3.823 -5.627 3.818 126 1HZ LYS 16 HZ1 LYS 16 2.101 -7.638 4.139 127 2HZ LYS 16 HZ2 LYS 16 3.667 -7.636 4.800 128 3HZ LYS 16 HZ3 LYS 16 3.356 -8.457 3.344 129 H CYS 17 HN CYS 17 -2.062 -3.098 1.579 130 HA CYS 17 HA CYS 17 -2.467 -0.619 2.873 131 1HB CYS 17 HB2 CYS 17 -2.536 -1.225 0.403 132 2HB CYS 17 HB1 CYS 17 -4.172 -1.828 0.676 133 H LYS 18 HN LYS 18 -4.660 -3.415 2.573 134 HA LYS 18 HA LYS 18 -6.948 -2.169 3.795 135 1HB LYS 18 HB2 LYS 18 -7.155 -4.162 2.452 136 2HB LYS 18 HB1 LYS 18 -6.002 -5.031 3.467 137 1HG LYS 18 HG2 LYS 18 -8.026 -4.062 5.197 138 2HG LYS 18 HG1 LYS 18 -8.849 -4.770 3.807 139 1HD LYS 18 HD2 LYS 18 -7.992 -6.889 4.201 140 2HD LYS 18 HD1 LYS 18 -6.560 -6.269 5.024 141 1HE LYS 18 HE2 LYS 18 -7.709 -6.964 6.900 142 2HE LYS 18 HE1 LYS 18 -8.506 -5.388 6.719 143 1HZ LYS 18 HZ1 LYS 18 -10.127 -7.202 6.818 144 2HZ LYS 18 HZ2 LYS 18 -9.410 -7.925 5.458 145 3HZ LYS 18 HZ3 LYS 18 -10.174 -6.413 5.317 146 H GLU 19 HN GLU 19 -4.336 -4.227 5.104 147 HA GLU 19 HA GLU 19 -5.310 -4.273 7.811 148 1HB GLU 19 HB2 GLU 19 -3.747 -5.918 7.053 149 2HB GLU 19 HB1 GLU 19 -2.628 -4.685 6.470 150 1HG GLU 19 HG2 GLU 19 -1.767 -5.537 8.565 151 2HG GLU 19 HG1 GLU 19 -2.366 -3.901 8.848 152 H ALA 20 HN ALA 20 -3.830 -1.802 5.946 153 HA ALA 20 HA ALA 20 -2.675 -0.389 8.278 154 1HB ALA 20 HB1 ALA 20 -1.957 1.191 6.505 155 2HB ALA 20 HB2 ALA 20 -2.916 0.292 5.330 156 3HB ALA 20 HB3 ALA 20 -1.524 -0.469 6.099 157 H ILE 21 HN ILE 21 -4.871 0.653 5.640 158 HA ILE 21 HA ILE 21 -6.259 2.409 7.624 159 HB ILE 21 HB ILE 21 -6.916 3.682 5.621 160 1HG1 ILE 21 HG12 ILE 21 -5.400 1.534 4.100 161 2HG1 ILE 21 HG11 ILE 21 -7.152 1.742 4.095 162 1HG2 ILE 21 HG21 ILE 21 -4.158 3.098 6.387 163 2HG2 ILE 21 HG22 ILE 21 -4.920 4.651 6.042 164 3HG2 ILE 21 HG23 ILE 21 -4.281 3.670 4.723 165 1HD1 ILE 21 HD11 ILE 21 -5.132 3.804 3.162 166 2HD1 ILE 21 HD12 ILE 21 -6.884 4.007 3.155 167 3HD1 ILE 21 HD13 ILE 21 -6.133 2.800 2.112 168 H GLY 22 HN GLY 22 -6.725 -0.273 5.416 169 1HA GLY 22 HA2 GLY 22 -8.636 -1.781 5.951 170 2HA GLY 22 HA1 GLY 22 -9.606 -0.332 6.224 171 H LYS 23 HN LYS 23 -7.466 -0.026 3.590 172 HA LYS 23 HA LYS 23 -9.718 -0.602 1.689 173 1HB LYS 23 HB2 LYS 23 -7.521 1.493 1.654 174 2HB LYS 23 HB1 LYS 23 -8.700 1.264 0.362 175 1HG LYS 23 HG2 LYS 23 -9.474 1.813 3.239 176 2HG LYS 23 HG1 LYS 23 -9.298 3.080 2.024 177 1HD LYS 23 HD2 LYS 23 -11.081 2.215 0.709 178 2HD LYS 23 HD1 LYS 23 -11.086 0.684 1.586 179 1HE LYS 23 HE2 LYS 23 -11.548 2.347 3.661 180 2HE LYS 23 HE1 LYS 23 -12.281 3.303 2.356 181 1HZ LYS 23 HZ1 LYS 23 -13.326 1.135 1.620 182 2HZ LYS 23 HZ2 LYS 23 -13.953 1.822 3.042 183 3HZ LYS 23 HZ3 LYS 23 -12.881 0.507 3.132 184 H ALA 24 HN ALA 24 -9.193 -2.484 0.631 185 HA ALA 24 HA ALA 24 -6.468 -3.422 0.286 186 1HB ALA 24 HB1 ALA 24 -9.243 -4.204 -0.529 187 2HB ALA 24 HB2 ALA 24 -8.048 -5.123 0.386 188 3HB ALA 24 HB3 ALA 24 -7.888 -4.964 -1.363 189 H ALA 25 HN ALA 25 -6.278 -0.941 -0.769 190 HA ALA 25 HA ALA 25 -5.920 -1.477 -3.669 191 1HB ALA 25 HB1 ALA 25 -7.705 -0.218 -4.243 192 2HB ALA 25 HB2 ALA 25 -7.063 1.140 -3.319 193 3HB ALA 25 HB3 ALA 25 -8.105 -0.047 -2.533 194 H GLY 26 HN GLY 26 -3.718 -1.066 -3.752 195 1HA GLY 26 HA2 GLY 26 -2.723 1.593 -3.530 196 2HA GLY 26 HA1 GLY 26 -2.299 0.719 -2.058 197 H LYS 27 HN LYS 27 -0.486 1.709 -4.149 198 HA LYS 27 HA LYS 27 0.553 -0.861 -5.279 199 1HB LYS 27 HB2 LYS 27 0.601 2.035 -6.031 200 2HB LYS 27 HB1 LYS 27 1.952 1.031 -6.548 201 1HG LYS 27 HG2 LYS 27 0.589 0.567 -8.320 202 2HG LYS 27 HG1 LYS 27 -0.127 -0.591 -7.199 203 1HD LYS 27 HD2 LYS 27 -1.950 0.672 -8.099 204 2HD LYS 27 HD1 LYS 27 -1.693 1.278 -6.462 205 1HE LYS 27 HE2 LYS 27 -1.927 3.217 -7.886 206 2HE LYS 27 HE1 LYS 27 -0.198 3.080 -7.511 207 1HZ LYS 27 HZ1 LYS 27 0.222 2.790 -9.660 208 2HZ LYS 27 HZ2 LYS 27 -1.429 2.943 -10.028 209 3HZ LYS 27 HZ3 LYS 27 -0.769 1.414 -9.695 210 H CYS 28 HN CYS 28 3.200 -0.020 -5.672 211 HA CYS 28 HA CYS 28 4.239 0.698 -2.968 212 1HB CYS 28 HB2 CYS 28 4.072 -1.720 -2.990 213 2HB CYS 28 HB1 CYS 28 4.825 -1.802 -4.583 214 H MET 29 HN MET 29 5.977 2.081 -3.173 215 HA MET 29 HA MET 29 7.653 1.964 -5.628 216 1HB MET 29 HB2 MET 29 5.521 3.811 -5.137 217 2HB MET 29 HB1 MET 29 7.043 4.701 -5.073 218 1HG MET 29 HG2 MET 29 7.696 3.708 -7.253 219 2HG MET 29 HG1 MET 29 6.140 2.881 -7.324 220 1HE MET 29 HE1 MET 29 5.197 4.119 -9.659 221 2HE MET 29 HE2 MET 29 3.888 5.064 -8.953 222 3HE MET 29 HE3 MET 29 4.335 3.519 -8.235 223 H ASN 30 HN ASN 30 9.778 2.468 -5.160 224 HA ASN 30 HA ASN 30 11.671 2.993 -3.846 225 1HB ASN 30 HB2 ASN 30 9.645 5.087 -3.635 226 2HB ASN 30 HB1 ASN 30 10.706 5.053 -2.227 227 1HD2 ASN 30 HD21 ASN 30 13.088 5.219 -2.660 228 2HD2 ASN 30 HD22 ASN 30 13.626 5.985 -4.077 229 H GLY 31 HN GLY 31 9.325 1.223 -2.708 230 1HA GLY 31 HA2 GLY 31 9.528 -0.201 -0.772 231 2HA GLY 31 HA1 GLY 31 10.519 1.035 0.001 232 H LYS 32 HN LYS 32 8.025 2.690 -1.346 233 HA LYS 32 HA LYS 32 6.508 2.667 1.230 234 1HB LYS 32 HB2 LYS 32 6.566 4.693 -1.031 235 2HB LYS 32 HB1 LYS 32 5.876 4.931 0.574 236 1HG LYS 32 HG2 LYS 32 8.793 4.572 -0.147 237 2HG LYS 32 HG1 LYS 32 8.035 5.972 0.611 238 1HD LYS 32 HD2 LYS 32 7.364 4.325 2.499 239 2HD LYS 32 HD1 LYS 32 8.590 3.262 1.808 240 1HE LYS 32 HE2 LYS 32 10.347 4.759 2.297 241 2HE LYS 32 HE1 LYS 32 9.243 6.140 2.457 242 1HZ LYS 32 HZ1 LYS 32 9.558 5.564 4.648 243 2HZ LYS 32 HZ2 LYS 32 9.698 3.904 4.315 244 3HZ LYS 32 HZ3 LYS 32 8.174 4.654 4.279 245 H CYS 33 HN CYS 33 4.121 2.832 1.058 246 HA CYS 33 HA CYS 33 3.105 1.378 -1.354 247 1HB CYS 33 HB2 CYS 33 2.964 0.533 1.101 248 2HB CYS 33 HB1 CYS 33 1.692 1.740 1.286 249 H LYS 34 HN LYS 34 1.600 2.366 -2.652 250 HA LYS 34 HA LYS 34 0.719 5.120 -1.926 251 1HB LYS 34 HB2 LYS 34 1.315 3.550 -4.359 252 2HB LYS 34 HB1 LYS 34 -0.085 4.615 -4.505 253 1HG LYS 34 HG2 LYS 34 1.223 6.539 -3.869 254 2HG LYS 34 HG1 LYS 34 2.607 5.527 -3.456 255 1HD LYS 34 HD2 LYS 34 3.278 6.073 -5.574 256 2HD LYS 34 HD1 LYS 34 2.211 4.741 -6.018 257 1HE LYS 34 HE2 LYS 34 0.723 7.233 -5.680 258 2HE LYS 34 HE1 LYS 34 1.979 7.369 -6.927 259 1HZ LYS 34 HZ1 LYS 34 0.469 4.878 -6.842 260 2HZ LYS 34 HZ2 LYS 34 1.061 5.742 -8.180 261 3HZ LYS 34 HZ3 LYS 34 -0.366 6.243 -7.406 262 H CYS 35 HN CYS 35 -0.936 4.305 -0.386 263 HA CYS 35 HA CYS 35 -3.085 2.575 -1.353 264 1HB CYS 35 HB2 CYS 35 -2.385 4.130 1.118 265 2HB CYS 35 HB1 CYS 35 -4.030 3.520 0.934 266 H TYR 36 HN TYR 36 -5.055 3.230 -2.180 267 HA TYR 36 HA TYR 36 -5.463 6.168 -2.549 268 1HB TYR 36 HB2 TYR 36 -5.935 3.691 -4.117 269 2HB TYR 36 HB1 TYR 36 -7.160 4.949 -4.280 270 HD1 TYR 36 HD1 TYR 36 -3.484 4.328 -4.479 271 HD2 TYR 36 HD2 TYR 36 -6.758 6.879 -5.585 272 HE1 TYR 36 HE1 TYR 36 -1.983 5.600 -5.987 273 HE2 TYR 36 HE2 TYR 36 -5.257 8.152 -7.094 274 HH TYR 36 HH TYR 36 -3.174 7.870 -8.278 275 HA PRO 37 HA PRO 37 -8.718 5.528 0.516 276 1HB PRO 37 HB2 PRO 37 -9.662 8.179 -0.080 277 2HB PRO 37 HB1 PRO 37 -8.745 7.642 1.331 278 1HG PRO 37 HG2 PRO 37 -7.826 9.257 -0.858 279 2HG PRO 37 HG1 PRO 37 -6.915 8.723 0.557 280 1HD PRO 37 HD2 PRO 37 -6.638 7.813 -2.163 281 2HD PRO 37 HD1 PRO 37 -5.740 7.255 -0.730 Start of MODEL 7 1 1H VAL 1 HT1 VAL 1 -2.235 10.449 0.284 2 2H VAL 1 HT2 VAL 1 -2.106 8.896 -0.396 3 3H VAL 1 HT3 VAL 1 -0.705 9.772 0.002 4 HA VAL 1 HA VAL 1 -1.210 9.621 2.350 5 HB VAL 1 HB VAL 1 -3.689 8.281 1.225 6 1HG1 VAL 1 HG11 VAL 1 -4.344 8.132 3.669 7 2HG1 VAL 1 HG12 VAL 1 -2.672 8.526 4.069 8 3HG1 VAL 1 HG13 VAL 1 -3.043 7.043 3.189 9 1HG2 VAL 1 HG21 VAL 1 -4.772 10.136 2.606 10 2HG2 VAL 1 HG22 VAL 1 -3.905 10.667 1.165 11 3HG2 VAL 1 HG23 VAL 1 -3.162 10.840 2.755 12 H PHE 2 HN PHE 2 0.790 8.410 1.527 13 HA PHE 2 HA PHE 2 0.369 5.485 1.166 14 1HB PHE 2 HB2 PHE 2 2.881 7.184 1.046 15 2HB PHE 2 HB1 PHE 2 2.705 5.532 0.459 16 HD1 PHE 2 HD1 PHE 2 -0.326 6.404 -0.435 17 HD2 PHE 2 HD2 PHE 2 3.672 7.706 -1.310 18 HE1 PHE 2 HE1 PHE 2 -1.088 7.264 -2.630 19 HE2 PHE 2 HE2 PHE 2 2.911 8.567 -3.505 20 HZ PHE 2 HZ PHE 2 0.531 8.350 -4.166 21 H ILE 3 HN ILE 3 1.484 3.972 2.552 22 HA ILE 3 HA ILE 3 2.072 5.070 5.270 23 HB ILE 3 HB ILE 3 1.515 2.816 6.021 24 1HG1 ILE 3 HG12 ILE 3 1.057 2.067 3.128 25 2HG1 ILE 3 HG11 ILE 3 2.592 1.759 3.938 26 1HG2 ILE 3 HG21 ILE 3 -0.750 2.724 4.422 27 2HG2 ILE 3 HG22 ILE 3 -0.264 4.417 4.337 28 3HG2 ILE 3 HG23 ILE 3 -0.576 3.667 5.902 29 1HD1 ILE 3 HD11 ILE 3 0.035 0.874 5.241 30 2HD1 ILE 3 HD12 ILE 3 1.660 0.208 5.411 31 3HD1 ILE 3 HD13 ILE 3 0.731 -0.097 3.944 32 H ASN 4 HN ASN 4 4.062 4.592 6.250 33 HA ASN 4 HA ASN 4 6.260 3.843 4.455 34 1HB ASN 4 HB2 ASN 4 7.608 4.433 6.443 35 2HB ASN 4 HB1 ASN 4 6.389 5.669 6.126 36 1HD2 ASN 4 HD21 ASN 4 7.743 4.433 8.720 37 2HD2 ASN 4 HD22 ASN 4 6.413 4.223 9.754 38 H ALA 5 HN ALA 5 5.185 1.561 4.223 39 HA ALA 5 HA ALA 5 5.996 -0.202 6.508 40 1HB ALA 5 HB1 ALA 5 4.429 -1.666 4.738 41 2HB ALA 5 HB2 ALA 5 3.742 -0.045 4.642 42 3HB ALA 5 HB3 ALA 5 3.848 -0.867 6.199 43 H LYS 6 HN LYS 6 7.653 0.916 4.171 44 HA LYS 6 HA LYS 6 9.073 0.102 2.431 45 1HB LYS 6 HB2 LYS 6 10.611 -1.571 3.482 46 2HB LYS 6 HB1 LYS 6 10.282 -0.176 4.507 47 1HG LYS 6 HG2 LYS 6 8.632 -1.450 5.778 48 2HG LYS 6 HG1 LYS 6 8.835 -2.834 4.702 49 1HD LYS 6 HD2 LYS 6 11.116 -3.149 5.422 50 2HD LYS 6 HD1 LYS 6 11.096 -1.632 6.323 51 1HE LYS 6 HE2 LYS 6 8.891 -3.269 7.206 52 2HE LYS 6 HE1 LYS 6 10.398 -4.203 7.300 53 1HZ LYS 6 HZ1 LYS 6 9.839 -1.532 8.460 54 2HZ LYS 6 HZ2 LYS 6 11.418 -2.133 8.277 55 3HZ LYS 6 HZ3 LYS 6 10.308 -2.943 9.276 56 H CYS 7 HN CYS 7 6.844 -0.718 1.442 57 HA CYS 7 HA CYS 7 6.114 -3.454 1.412 58 1HB CYS 7 HB2 CYS 7 5.051 -2.829 -0.737 59 2HB CYS 7 HB1 CYS 7 4.821 -1.566 0.473 60 H ARG 8 HN ARG 8 6.446 -4.941 -0.531 61 HA ARG 8 HA ARG 8 9.270 -4.747 -1.535 62 1HB ARG 8 HB2 ARG 8 7.592 -7.042 -0.505 63 2HB ARG 8 HB1 ARG 8 9.048 -7.316 -1.461 64 1HG ARG 8 HG2 ARG 8 9.666 -5.383 0.551 65 2HG ARG 8 HG1 ARG 8 8.859 -6.745 1.330 66 1HD ARG 8 HD2 ARG 8 10.449 -8.278 0.064 67 2HD ARG 8 HD1 ARG 8 11.352 -6.823 -0.396 68 HE ARG 8 HE ARG 8 10.894 -7.680 2.437 69 1HH1 ARG 8 HH21 ARG 8 12.011 -5.188 0.451 70 2HH1 ARG 8 HH22 ARG 8 13.516 -4.974 1.282 71 1HH2 ARG 8 HH11 ARG 8 13.082 -7.740 3.328 72 2HH2 ARG 8 HH12 ARG 8 14.123 -6.421 2.910 73 H GLY 9 HN GLY 9 5.908 -5.425 -2.267 74 1HA GLY 9 HA2 GLY 9 6.546 -5.350 -5.150 75 2HA GLY 9 HA1 GLY 9 5.758 -6.816 -4.566 76 H SER 10 HN SER 10 4.738 -4.709 -6.412 77 HA SER 10 HA SER 10 2.899 -2.911 -5.382 78 1HB SER 10 HB2 SER 10 3.450 -4.233 -7.808 79 2HB SER 10 HB1 SER 10 1.727 -4.465 -7.525 80 HG SER 10 HG SER 10 3.186 -2.033 -7.588 81 HA PRO 11 HA PRO 11 -0.405 -6.456 -5.016 82 1HB PRO 11 HB2 PRO 11 1.045 -8.908 -4.612 83 2HB PRO 11 HB1 PRO 11 -0.054 -8.497 -5.931 84 1HG PRO 11 HG2 PRO 11 2.791 -8.765 -6.052 85 2HG PRO 11 HG1 PRO 11 1.692 -8.305 -7.355 86 1HD PRO 11 HD2 PRO 11 3.570 -6.634 -5.932 87 2HD PRO 11 HD1 PRO 11 2.502 -6.180 -7.282 88 H GLU 12 HN GLU 12 2.620 -6.238 -3.324 89 HA GLU 12 HA GLU 12 1.818 -7.515 -0.855 90 1HB GLU 12 HB2 GLU 12 4.152 -7.106 -1.607 91 2HB GLU 12 HB1 GLU 12 3.887 -5.370 -1.443 92 1HG GLU 12 HG2 GLU 12 4.061 -5.429 0.822 93 2HG GLU 12 HG1 GLU 12 3.169 -6.946 0.946 94 H CYS 13 HN CYS 13 1.346 -4.311 -2.221 95 HA CYS 13 HA CYS 13 0.654 -3.012 0.288 96 1HB CYS 13 HB2 CYS 13 1.341 -2.220 -2.229 97 2HB CYS 13 HB1 CYS 13 -0.405 -1.979 -2.280 98 H LEU 14 HN LEU 14 -1.131 -4.870 -2.129 99 HA LEU 14 HA LEU 14 -3.767 -4.004 -1.577 100 1HB LEU 14 HB2 LEU 14 -2.423 -6.128 -2.925 101 2HB LEU 14 HB1 LEU 14 -3.676 -6.857 -1.921 102 HG LEU 14 HG LEU 14 -4.730 -6.350 -4.002 103 1HD1 LEU 14 HD11 LEU 14 -6.529 -5.137 -3.224 104 2HD1 LEU 14 HD12 LEU 14 -5.512 -3.879 -2.523 105 3HD1 LEU 14 HD13 LEU 14 -5.706 -5.422 -1.690 106 1HD2 LEU 14 HD21 LEU 14 -4.545 -3.601 -4.399 107 2HD2 LEU 14 HD22 LEU 14 -3.670 -4.835 -5.306 108 3HD2 LEU 14 HD23 LEU 14 -2.912 -4.060 -3.914 109 HA PRO 15 HA PRO 15 -3.902 -7.328 1.966 110 1HB PRO 15 HB2 PRO 15 -1.186 -7.887 2.719 111 2HB PRO 15 HB1 PRO 15 -2.379 -9.007 2.054 112 1HG PRO 15 HG2 PRO 15 -0.052 -7.955 0.758 113 2HG PRO 15 HG1 PRO 15 -1.265 -9.049 0.086 114 1HD PRO 15 HD2 PRO 15 -0.847 -6.257 -0.533 115 2HD PRO 15 HD1 PRO 15 -2.033 -7.376 -1.237 116 H LYS 16 HN LYS 16 -0.860 -5.425 2.079 117 HA LYS 16 HA LYS 16 -1.151 -4.629 4.833 118 1HB LYS 16 HB2 LYS 16 0.385 -3.380 2.532 119 2HB LYS 16 HB1 LYS 16 0.714 -3.135 4.247 120 1HG LYS 16 HG2 LYS 16 0.717 -5.879 2.977 121 2HG LYS 16 HG1 LYS 16 2.169 -4.880 3.071 122 1HD LYS 16 HD2 LYS 16 0.486 -5.551 5.494 123 2HD LYS 16 HD1 LYS 16 1.855 -6.539 4.981 124 1HE LYS 16 HE2 LYS 16 3.419 -4.858 5.466 125 2HE LYS 16 HE1 LYS 16 2.206 -3.566 5.356 126 1HZ LYS 16 HZ1 LYS 16 1.778 -5.699 7.316 127 2HZ LYS 16 HZ2 LYS 16 1.345 -4.058 7.392 128 3HZ LYS 16 HZ3 LYS 16 2.952 -4.528 7.677 129 H CYS 17 HN CYS 17 -1.653 -2.772 1.797 130 HA CYS 17 HA CYS 17 -2.566 -0.365 2.953 131 1HB CYS 17 HB2 CYS 17 -1.992 -0.889 0.544 132 2HB CYS 17 HB1 CYS 17 -3.563 -1.679 0.407 133 H LYS 18 HN LYS 18 -4.482 -3.194 1.894 134 HA LYS 18 HA LYS 18 -7.049 -2.207 2.622 135 1HB LYS 18 HB2 LYS 18 -6.280 -4.305 1.305 136 2HB LYS 18 HB1 LYS 18 -6.157 -5.081 2.884 137 1HG LYS 18 HG2 LYS 18 -8.666 -3.591 2.203 138 2HG LYS 18 HG1 LYS 18 -8.418 -5.195 1.514 139 1HD LYS 18 HD2 LYS 18 -7.936 -4.795 4.445 140 2HD LYS 18 HD1 LYS 18 -9.598 -4.922 3.865 141 1HE LYS 18 HE2 LYS 18 -7.671 -6.950 2.827 142 2HE LYS 18 HE1 LYS 18 -8.170 -7.105 4.523 143 1HZ LYS 18 HZ1 LYS 18 -10.221 -6.451 2.541 144 2HZ LYS 18 HZ2 LYS 18 -10.348 -7.365 3.969 145 3HZ LYS 18 HZ3 LYS 18 -9.653 -8.050 2.577 146 H GLU 19 HN GLU 19 -4.537 -3.814 4.539 147 HA GLU 19 HA GLU 19 -6.273 -3.772 6.951 148 1HB GLU 19 HB2 GLU 19 -3.589 -4.949 6.203 149 2HB GLU 19 HB1 GLU 19 -4.187 -4.983 7.861 150 1HG GLU 19 HG2 GLU 19 -6.364 -5.862 6.366 151 2HG GLU 19 HG1 GLU 19 -4.981 -6.619 5.573 152 H ALA 20 HN ALA 20 -4.527 -1.497 5.439 153 HA ALA 20 HA ALA 20 -3.396 -0.386 7.990 154 1HB ALA 20 HB1 ALA 20 -2.497 -0.066 5.108 155 2HB ALA 20 HB2 ALA 20 -1.704 -1.056 6.333 156 3HB ALA 20 HB3 ALA 20 -1.730 0.700 6.500 157 H ILE 21 HN ILE 21 -5.554 0.127 5.318 158 HA ILE 21 HA ILE 21 -6.021 2.927 6.292 159 HB ILE 21 HB ILE 21 -4.772 2.797 4.137 160 1HG1 ILE 21 HG12 ILE 21 -7.632 3.799 3.943 161 2HG1 ILE 21 HG11 ILE 21 -6.251 4.709 4.554 162 1HG2 ILE 21 HG21 ILE 21 -6.502 0.670 3.643 163 2HG2 ILE 21 HG22 ILE 21 -5.392 1.394 2.481 164 3HG2 ILE 21 HG23 ILE 21 -7.069 1.937 2.557 165 1HD1 ILE 21 HD11 ILE 21 -7.065 4.924 2.011 166 2HD1 ILE 21 HD12 ILE 21 -6.008 3.525 1.828 167 3HD1 ILE 21 HD13 ILE 21 -5.361 5.041 2.455 168 H GLY 22 HN GLY 22 -7.387 -0.091 5.102 169 1HA GLY 22 HA2 GLY 22 -9.622 -0.715 5.974 170 2HA GLY 22 HA1 GLY 22 -10.093 0.976 5.791 171 H LYS 23 HN LYS 23 -8.209 0.193 3.166 172 HA LYS 23 HA LYS 23 -10.497 -0.860 1.563 173 1HB LYS 23 HB2 LYS 23 -9.000 1.741 1.299 174 2HB LYS 23 HB1 LYS 23 -9.718 0.991 -0.127 175 1HG LYS 23 HG2 LYS 23 -11.379 1.292 2.354 176 2HG LYS 23 HG1 LYS 23 -11.131 2.692 1.311 177 1HD LYS 23 HD2 LYS 23 -12.684 1.915 -0.116 178 2HD LYS 23 HD1 LYS 23 -11.738 0.445 -0.352 179 1HE LYS 23 HE2 LYS 23 -12.986 0.241 2.209 180 2HE LYS 23 HE1 LYS 23 -14.230 0.717 1.035 181 1HZ LYS 23 HZ1 LYS 23 -12.248 -1.456 0.607 182 2HZ LYS 23 HZ2 LYS 23 -13.519 -1.027 -0.436 183 3HZ LYS 23 HZ3 LYS 23 -13.856 -1.709 1.084 184 H ALA 24 HN ALA 24 -9.800 -2.374 0.090 185 HA ALA 24 HA ALA 24 -7.003 -3.154 0.014 186 1HB ALA 24 HB1 ALA 24 -9.106 -4.029 -1.950 187 2HB ALA 24 HB2 ALA 24 -9.255 -4.485 -0.253 188 3HB ALA 24 HB3 ALA 24 -7.842 -4.988 -1.180 189 H ALA 25 HN ALA 25 -6.836 -0.575 -0.774 190 HA ALA 25 HA ALA 25 -6.337 -0.769 -3.722 191 1HB ALA 25 HB1 ALA 25 -7.135 1.643 -3.776 192 2HB ALA 25 HB2 ALA 25 -7.679 1.422 -2.113 193 3HB ALA 25 HB3 ALA 25 -8.391 0.460 -3.409 194 H GLY 26 HN GLY 26 -4.058 -0.964 -3.427 195 1HA GLY 26 HA2 GLY 26 -2.669 1.530 -2.848 196 2HA GLY 26 HA1 GLY 26 -2.388 0.297 -1.619 197 H LYS 27 HN LYS 27 -0.378 1.380 -3.384 198 HA LYS 27 HA LYS 27 0.362 -1.115 -4.879 199 1HB LYS 27 HB2 LYS 27 0.758 1.795 -5.650 200 2HB LYS 27 HB1 LYS 27 1.353 0.418 -6.575 201 1HG LYS 27 HG2 LYS 27 -0.670 0.050 -7.504 202 2HG LYS 27 HG1 LYS 27 -1.479 0.149 -5.941 203 1HD LYS 27 HD2 LYS 27 -2.286 1.941 -7.400 204 2HD LYS 27 HD1 LYS 27 -1.361 2.631 -6.066 205 1HE LYS 27 HE2 LYS 27 0.597 2.167 -7.972 206 2HE LYS 27 HE1 LYS 27 -0.790 2.705 -8.943 207 1HZ LYS 27 HZ1 LYS 27 0.712 4.473 -7.829 208 2HZ LYS 27 HZ2 LYS 27 -0.136 4.069 -6.414 209 3HZ LYS 27 HZ3 LYS 27 -0.971 4.666 -7.768 210 H CYS 28 HN CYS 28 2.918 -0.720 -5.486 211 HA CYS 28 HA CYS 28 4.268 0.267 -2.996 212 1HB CYS 28 HB2 CYS 28 4.053 -2.134 -2.847 213 2HB CYS 28 HB1 CYS 28 4.613 -2.337 -4.507 214 H MET 29 HN MET 29 5.625 1.891 -3.640 215 HA MET 29 HA MET 29 7.450 1.410 -5.930 216 1HB MET 29 HB2 MET 29 5.377 2.471 -6.816 217 2HB MET 29 HB1 MET 29 5.611 3.815 -5.697 218 1HG MET 29 HG2 MET 29 6.501 4.398 -7.909 219 2HG MET 29 HG1 MET 29 7.816 4.277 -6.738 220 1HE MET 29 HE1 MET 29 5.968 3.287 -9.521 221 2HE MET 29 HE2 MET 29 6.028 1.525 -9.541 222 3HE MET 29 HE3 MET 29 7.114 2.449 -10.576 223 H ASN 30 HN ASN 30 9.352 2.751 -5.804 224 HA ASN 30 HA ASN 30 10.996 4.038 -4.687 225 1HB ASN 30 HB2 ASN 30 8.356 5.225 -4.178 226 2HB ASN 30 HB1 ASN 30 9.543 5.623 -2.938 227 1HD2 ASN 30 HD21 ASN 30 8.401 6.603 -5.955 228 2HD2 ASN 30 HD22 ASN 30 9.747 7.504 -6.459 229 H GLY 31 HN GLY 31 9.411 1.592 -3.360 230 1HA GLY 31 HA2 GLY 31 10.020 0.288 -1.471 231 2HA GLY 31 HA1 GLY 31 11.036 1.622 -0.917 232 H LYS 32 HN LYS 32 7.746 2.291 -1.828 233 HA LYS 32 HA LYS 32 6.961 2.403 1.065 234 1HB LYS 32 HB2 LYS 32 6.806 4.482 -1.124 235 2HB LYS 32 HB1 LYS 32 5.779 4.577 0.307 236 1HG LYS 32 HG2 LYS 32 7.568 4.957 1.737 237 2HG LYS 32 HG1 LYS 32 8.720 4.143 0.679 238 1HD LYS 32 HD2 LYS 32 8.710 5.995 -0.872 239 2HD LYS 32 HD1 LYS 32 7.385 6.774 -0.006 240 1HE LYS 32 HE2 LYS 32 8.757 7.366 1.818 241 2HE LYS 32 HE1 LYS 32 9.981 6.148 1.406 242 1HZ LYS 32 HZ1 LYS 32 9.287 8.239 -0.544 243 2HZ LYS 32 HZ2 LYS 32 10.735 7.366 -0.378 244 3HZ LYS 32 HZ3 LYS 32 10.359 8.609 0.718 245 H CYS 33 HN CYS 33 4.562 2.398 1.343 246 HA CYS 33 HA CYS 33 3.253 0.814 -0.834 247 1HB CYS 33 HB2 CYS 33 3.577 0.439 1.876 248 2HB CYS 33 HB1 CYS 33 1.960 1.131 1.800 249 H LYS 34 HN LYS 34 1.790 1.934 -2.085 250 HA LYS 34 HA LYS 34 0.805 4.575 -1.185 251 1HB LYS 34 HB2 LYS 34 1.046 2.997 -3.693 252 2HB LYS 34 HB1 LYS 34 -0.313 4.119 -3.620 253 1HG LYS 34 HG2 LYS 34 1.101 5.798 -4.109 254 2HG LYS 34 HG1 LYS 34 1.913 5.513 -2.570 255 1HD LYS 34 HD2 LYS 34 3.730 5.026 -3.839 256 2HD LYS 34 HD1 LYS 34 2.925 3.484 -4.126 257 1HE LYS 34 HE2 LYS 34 3.195 4.119 -6.331 258 2HE LYS 34 HE1 LYS 34 1.692 5.007 -6.014 259 1HZ LYS 34 HZ1 LYS 34 3.104 6.864 -5.192 260 2HZ LYS 34 HZ2 LYS 34 3.278 6.557 -6.853 261 3HZ LYS 34 HZ3 LYS 34 4.467 6.032 -5.760 262 H CYS 35 HN CYS 35 -1.502 5.057 -1.103 263 HA CYS 35 HA CYS 35 -3.356 2.728 -1.103 264 1HB CYS 35 HB2 CYS 35 -2.508 4.425 1.231 265 2HB CYS 35 HB1 CYS 35 -4.135 3.744 1.202 266 H TYR 36 HN TYR 36 -5.646 3.455 -0.996 267 HA TYR 36 HA TYR 36 -6.098 6.343 -1.568 268 1HB TYR 36 HB2 TYR 36 -6.815 3.987 -3.341 269 2HB TYR 36 HB1 TYR 36 -7.443 5.616 -3.582 270 HD1 TYR 36 HD1 TYR 36 -4.642 3.388 -4.082 271 HD2 TYR 36 HD2 TYR 36 -5.807 7.520 -3.964 272 HE1 TYR 36 HE1 TYR 36 -2.575 4.007 -5.305 273 HE2 TYR 36 HE2 TYR 36 -3.740 8.139 -5.185 274 HH TYR 36 HH TYR 36 -1.307 6.944 -5.400 275 HA PRO 37 HA PRO 37 -9.749 5.813 0.816 276 1HB PRO 37 HB2 PRO 37 -11.467 7.195 -1.032 277 2HB PRO 37 HB1 PRO 37 -10.725 7.824 0.442 278 1HG PRO 37 HG2 PRO 37 -10.047 8.450 -2.276 279 2HG PRO 37 HG1 PRO 37 -9.306 9.076 -0.801 280 1HD PRO 37 HD2 PRO 37 -8.178 7.213 -2.692 281 2HD PRO 37 HD1 PRO 37 -7.437 7.831 -1.195 Start of MODEL 8 1 1H VAL 1 HT1 VAL 1 -1.459 9.511 0.792 2 2H VAL 1 HT2 VAL 1 -2.562 10.415 1.714 3 3H VAL 1 HT3 VAL 1 -3.114 9.145 0.731 4 HA VAL 1 HA VAL 1 -1.851 9.041 3.366 5 HB VAL 1 HB VAL 1 -3.928 7.515 1.765 6 1HG1 VAL 1 HG11 VAL 1 -4.011 5.932 3.378 7 2HG1 VAL 1 HG12 VAL 1 -3.916 7.136 4.665 8 3HG1 VAL 1 HG13 VAL 1 -2.441 6.539 3.904 9 1HG2 VAL 1 HG21 VAL 1 -3.965 9.932 3.316 10 2HG2 VAL 1 HG22 VAL 1 -4.929 8.712 4.147 11 3HG2 VAL 1 HG23 VAL 1 -5.305 9.147 2.480 12 H PHE 2 HN PHE 2 0.373 8.521 2.716 13 HA PHE 2 HA PHE 2 0.656 5.768 1.550 14 1HB PHE 2 HB2 PHE 2 2.409 8.236 1.367 15 2HB PHE 2 HB1 PHE 2 2.870 6.654 0.743 16 HD1 PHE 2 HD1 PHE 2 2.603 9.169 -0.930 17 HD2 PHE 2 HD2 PHE 2 -0.214 6.067 0.018 18 HE1 PHE 2 HE1 PHE 2 1.374 9.636 -3.031 19 HE2 PHE 2 HE2 PHE 2 -1.439 6.535 -2.078 20 HZ PHE 2 HZ PHE 2 -0.649 8.322 -3.605 21 H ILE 3 HN ILE 3 2.055 4.357 2.614 22 HA ILE 3 HA ILE 3 3.062 5.285 5.278 23 HB ILE 3 HB ILE 3 2.830 2.400 4.496 24 1HG1 ILE 3 HG12 ILE 3 0.432 4.084 5.299 25 2HG1 ILE 3 HG11 ILE 3 0.724 3.498 3.661 26 1HG2 ILE 3 HG21 ILE 3 2.039 2.276 6.875 27 2HG2 ILE 3 HG22 ILE 3 2.282 4.019 6.998 28 3HG2 ILE 3 HG23 ILE 3 3.658 2.955 6.705 29 1HD1 ILE 3 HD11 ILE 3 1.012 1.184 5.049 30 2HD1 ILE 3 HD12 ILE 3 -0.524 1.717 4.364 31 3HD1 ILE 3 HD13 ILE 3 -0.168 2.012 6.066 32 H ASN 4 HN ASN 4 5.160 4.256 5.951 33 HA ASN 4 HA ASN 4 6.965 3.878 3.586 34 1HB ASN 4 HB2 ASN 4 8.706 4.726 5.206 35 2HB ASN 4 HB1 ASN 4 7.424 5.890 4.872 36 1HD2 ASN 4 HD21 ASN 4 5.805 6.263 6.571 37 2HD2 ASN 4 HD22 ASN 4 6.099 5.788 8.174 38 H ALA 5 HN ALA 5 5.791 1.570 4.147 39 HA ALA 5 HA ALA 5 7.234 0.105 6.276 40 1HB ALA 5 HB1 ALA 5 4.701 0.044 5.279 41 2HB ALA 5 HB2 ALA 5 5.444 -1.321 6.113 42 3HB ALA 5 HB3 ALA 5 5.435 -1.263 4.350 43 H LYS 6 HN LYS 6 8.217 1.062 3.348 44 HA LYS 6 HA LYS 6 9.749 0.207 1.757 45 1HB LYS 6 HB2 LYS 6 10.287 -1.814 3.949 46 2HB LYS 6 HB1 LYS 6 11.425 -1.207 2.745 47 1HG LYS 6 HG2 LYS 6 12.044 0.272 4.348 48 2HG LYS 6 HG1 LYS 6 10.550 1.116 3.938 49 1HD LYS 6 HD2 LYS 6 9.503 0.460 5.850 50 2HD LYS 6 HD1 LYS 6 10.222 -1.151 5.805 51 1HE LYS 6 HE2 LYS 6 12.425 -0.061 6.499 52 2HE LYS 6 HE1 LYS 6 11.486 1.409 6.827 53 1HZ LYS 6 HZ1 LYS 6 9.957 -0.486 7.953 54 2HZ LYS 6 HZ2 LYS 6 11.105 0.434 8.802 55 3HZ LYS 6 HZ3 LYS 6 11.503 -1.119 8.242 56 H CYS 7 HN CYS 7 7.089 -0.745 1.455 57 HA CYS 7 HA CYS 7 6.535 -3.452 1.381 58 1HB CYS 7 HB2 CYS 7 5.232 -2.865 -0.696 59 2HB CYS 7 HB1 CYS 7 4.999 -1.726 0.630 60 H ARG 8 HN ARG 8 6.605 -4.926 -0.615 61 HA ARG 8 HA ARG 8 9.251 -4.671 -2.011 62 1HB ARG 8 HB2 ARG 8 7.815 -7.147 -0.993 63 2HB ARG 8 HB1 ARG 8 9.394 -7.123 -1.779 64 1HG ARG 8 HG2 ARG 8 9.363 -5.229 0.398 65 2HG ARG 8 HG1 ARG 8 8.853 -6.815 0.978 66 1HD ARG 8 HD2 ARG 8 11.162 -6.891 -0.866 67 2HD ARG 8 HD1 ARG 8 11.477 -6.084 0.682 68 HE ARG 8 HE ARG 8 9.997 -8.616 0.893 69 1HH1 ARG 8 HH21 ARG 8 11.741 -7.376 3.034 70 2HH1 ARG 8 HH22 ARG 8 13.120 -8.423 3.007 71 1HH2 ARG 8 HH11 ARG 8 12.331 -9.815 -0.070 72 2HH2 ARG 8 HH12 ARG 8 13.453 -9.806 1.249 73 H GLY 9 HN GLY 9 5.836 -5.358 -2.253 74 1HA GLY 9 HA2 GLY 9 6.136 -5.537 -5.205 75 2HA GLY 9 HA1 GLY 9 5.217 -6.795 -4.379 76 H SER 10 HN SER 10 3.948 -5.237 -6.284 77 HA SER 10 HA SER 10 2.573 -2.971 -5.057 78 1HB SER 10 HB2 SER 10 3.070 -4.009 -7.614 79 2HB SER 10 HB1 SER 10 1.325 -4.137 -7.410 80 HG SER 10 HG SER 10 2.800 -1.800 -6.781 81 HA PRO 11 HA PRO 11 -1.123 -6.121 -5.171 82 1HB PRO 11 HB2 PRO 11 0.019 -8.761 -5.068 83 2HB PRO 11 HB1 PRO 11 -0.989 -8.059 -6.337 84 1HG PRO 11 HG2 PRO 11 1.796 -8.664 -6.471 85 2HG PRO 11 HG1 PRO 11 0.806 -7.879 -7.704 86 1HD PRO 11 HD2 PRO 11 2.830 -6.694 -5.998 87 2HD PRO 11 HD1 PRO 11 1.916 -5.927 -7.320 88 H GLU 12 HN GLU 12 1.899 -6.745 -3.483 89 HA GLU 12 HA GLU 12 0.761 -8.049 -1.163 90 1HB GLU 12 HB2 GLU 12 3.319 -6.956 -2.119 91 2HB GLU 12 HB1 GLU 12 3.109 -6.815 -0.374 92 1HG GLU 12 HG2 GLU 12 2.178 -9.390 -1.057 93 2HG GLU 12 HG1 GLU 12 3.689 -9.172 -1.939 94 H CYS 13 HN CYS 13 1.409 -4.675 -2.043 95 HA CYS 13 HA CYS 13 0.939 -3.514 0.539 96 1HB CYS 13 HB2 CYS 13 1.401 -2.735 -2.208 97 2HB CYS 13 HB1 CYS 13 0.133 -1.729 -1.507 98 H LEU 14 HN LEU 14 -1.212 -4.690 -1.979 99 HA LEU 14 HA LEU 14 -3.588 -3.284 -1.379 100 1HB LEU 14 HB2 LEU 14 -2.722 -5.667 -2.777 101 2HB LEU 14 HB1 LEU 14 -4.264 -5.960 -1.974 102 HG LEU 14 HG LEU 14 -4.794 -3.530 -2.985 103 1HD1 LEU 14 HD11 LEU 14 -3.645 -2.997 -4.923 104 2HD1 LEU 14 HD12 LEU 14 -3.218 -4.676 -5.256 105 3HD1 LEU 14 HD13 LEU 14 -2.347 -3.773 -4.016 106 1HD2 LEU 14 HD21 LEU 14 -5.106 -5.440 -5.134 107 2HD2 LEU 14 HD22 LEU 14 -6.337 -4.770 -4.064 108 3HD2 LEU 14 HD23 LEU 14 -5.443 -6.213 -3.585 109 HA PRO 15 HA PRO 15 -4.684 -6.763 1.843 110 1HB PRO 15 HB2 PRO 15 -2.194 -7.989 2.600 111 2HB PRO 15 HB1 PRO 15 -3.594 -8.756 1.844 112 1HG PRO 15 HG2 PRO 15 -1.044 -8.115 0.650 113 2HG PRO 15 HG1 PRO 15 -2.410 -8.973 -0.072 114 1HD PRO 15 HD2 PRO 15 -1.507 -6.339 -0.710 115 2HD PRO 15 HD1 PRO 15 -2.981 -7.143 -1.300 116 H LYS 16 HN LYS 16 -1.301 -5.609 2.105 117 HA LYS 16 HA LYS 16 -1.322 -4.935 4.867 118 1HB LYS 16 HB2 LYS 16 0.185 -4.227 2.396 119 2HB LYS 16 HB1 LYS 16 0.381 -3.133 3.766 120 1HG LYS 16 HG2 LYS 16 0.535 -5.720 4.859 121 2HG LYS 16 HG1 LYS 16 1.490 -5.782 3.377 122 1HD LYS 16 HD2 LYS 16 2.043 -3.305 4.704 123 2HD LYS 16 HD1 LYS 16 2.215 -4.616 5.873 124 1HE LYS 16 HE2 LYS 16 3.505 -5.772 3.825 125 2HE LYS 16 HE1 LYS 16 3.792 -4.077 3.390 126 1HZ LYS 16 HZ1 LYS 16 5.300 -3.975 5.001 127 2HZ LYS 16 HZ2 LYS 16 4.967 -5.570 5.479 128 3HZ LYS 16 HZ3 LYS 16 4.090 -4.280 6.151 129 H CYS 17 HN CYS 17 -2.355 -3.111 2.000 130 HA CYS 17 HA CYS 17 -2.894 -0.621 3.373 131 1HB CYS 17 HB2 CYS 17 -2.504 -1.046 0.898 132 2HB CYS 17 HB1 CYS 17 -4.127 -1.734 0.833 133 H LYS 18 HN LYS 18 -4.830 -3.493 2.578 134 HA LYS 18 HA LYS 18 -7.412 -2.533 3.228 135 1HB LYS 18 HB2 LYS 18 -6.924 -4.689 2.164 136 2HB LYS 18 HB1 LYS 18 -6.118 -5.251 3.628 137 1HG LYS 18 HG2 LYS 18 -8.532 -4.483 4.639 138 2HG LYS 18 HG1 LYS 18 -9.005 -5.037 3.032 139 1HD LYS 18 HD2 LYS 18 -7.256 -7.007 3.796 140 2HD LYS 18 HD1 LYS 18 -8.006 -6.586 5.335 141 1HE LYS 18 HE2 LYS 18 -9.575 -8.121 4.583 142 2HE LYS 18 HE1 LYS 18 -10.224 -6.672 3.791 143 1HZ LYS 18 HZ1 LYS 18 -9.403 -7.276 1.785 144 2HZ LYS 18 HZ2 LYS 18 -9.541 -8.839 2.436 145 3HZ LYS 18 HZ3 LYS 18 -8.039 -8.045 2.438 146 H GLU 19 HN GLU 19 -4.923 -3.989 5.343 147 HA GLU 19 HA GLU 19 -6.566 -3.646 7.750 148 1HB GLU 19 HB2 GLU 19 -3.809 -4.611 7.033 149 2HB GLU 19 HB1 GLU 19 -4.201 -4.293 8.722 150 1HG GLU 19 HG2 GLU 19 -6.393 -5.736 7.680 151 2HG GLU 19 HG1 GLU 19 -4.947 -6.555 7.087 152 H ALA 20 HN ALA 20 -4.333 -1.717 5.939 153 HA ALA 20 HA ALA 20 -3.431 -0.036 8.145 154 1HB ALA 20 HB1 ALA 20 -3.080 1.360 5.784 155 2HB ALA 20 HB2 ALA 20 -3.122 -0.316 5.235 156 3HB ALA 20 HB3 ALA 20 -1.940 0.187 6.443 157 H ILE 21 HN ILE 21 -5.665 0.540 5.391 158 HA ILE 21 HA ILE 21 -6.903 2.749 6.997 159 HB ILE 21 HB ILE 21 -7.667 3.452 4.645 160 1HG1 ILE 21 HG12 ILE 21 -5.489 1.516 3.813 161 2HG1 ILE 21 HG11 ILE 21 -7.207 1.133 3.701 162 1HG2 ILE 21 HG21 ILE 21 -4.666 3.298 5.010 163 2HG2 ILE 21 HG22 ILE 21 -5.686 4.380 5.959 164 3HG2 ILE 21 HG23 ILE 21 -5.593 4.565 4.207 165 1HD1 ILE 21 HD11 ILE 21 -5.895 3.536 2.398 166 2HD1 ILE 21 HD12 ILE 21 -7.577 3.033 2.218 167 3HD1 ILE 21 HD13 ILE 21 -6.281 2.030 1.563 168 H GLY 22 HN GLY 22 -7.575 -0.128 5.030 169 1HA GLY 22 HA2 GLY 22 -9.506 -1.520 5.824 170 2HA GLY 22 HA1 GLY 22 -10.398 -0.010 6.017 171 H LYS 23 HN LYS 23 -8.280 -0.456 3.280 172 HA LYS 23 HA LYS 23 -10.697 -0.759 1.525 173 1HB LYS 23 HB2 LYS 23 -8.917 1.383 1.800 174 2HB LYS 23 HB1 LYS 23 -8.382 0.564 0.334 175 1HG LYS 23 HG2 LYS 23 -11.184 1.555 0.932 176 2HG LYS 23 HG1 LYS 23 -10.070 2.208 -0.269 177 1HD LYS 23 HD2 LYS 23 -10.225 0.269 -1.629 178 2HD LYS 23 HD1 LYS 23 -10.956 -0.677 -0.333 179 1HE LYS 23 HE2 LYS 23 -12.507 1.733 -0.969 180 2HE LYS 23 HE1 LYS 23 -12.374 0.609 -2.336 181 1HZ LYS 23 HZ1 LYS 23 -14.192 -0.082 -0.948 182 2HZ LYS 23 HZ2 LYS 23 -13.207 -0.063 0.437 183 3HZ LYS 23 HZ3 LYS 23 -12.934 -1.208 -0.789 184 H ALA 24 HN ALA 24 -8.845 -0.813 -0.815 185 HA ALA 24 HA ALA 24 -7.077 -3.113 -0.489 186 1HB ALA 24 HB1 ALA 24 -9.865 -3.523 -0.785 187 2HB ALA 24 HB2 ALA 24 -8.595 -4.745 -0.861 188 3HB ALA 24 HB3 ALA 24 -9.138 -3.945 -2.335 189 H ALA 25 HN ALA 25 -6.588 -0.599 -1.601 190 HA ALA 25 HA ALA 25 -6.031 -1.326 -4.430 191 1HB ALA 25 HB1 ALA 25 -7.233 0.491 -5.308 192 2HB ALA 25 HB2 ALA 25 -7.229 1.356 -3.772 193 3HB ALA 25 HB3 ALA 25 -8.282 -0.040 -3.994 194 H GLY 26 HN GLY 26 -3.910 -1.378 -3.005 195 1HA GLY 26 HA2 GLY 26 -2.702 1.358 -3.106 196 2HA GLY 26 HA1 GLY 26 -2.335 0.233 -1.797 197 H LYS 27 HN LYS 27 -0.315 1.298 -3.466 198 HA LYS 27 HA LYS 27 0.535 -1.165 -4.957 199 1HB LYS 27 HB2 LYS 27 0.915 1.774 -5.620 200 2HB LYS 27 HB1 LYS 27 1.629 0.445 -6.535 201 1HG LYS 27 HG2 LYS 27 -0.272 0.445 -7.758 202 2HG LYS 27 HG1 LYS 27 -1.051 -0.269 -6.345 203 1HD LYS 27 HD2 LYS 27 -2.221 1.612 -5.933 204 2HD LYS 27 HD1 LYS 27 -0.776 2.615 -6.063 205 1HE LYS 27 HE2 LYS 27 -1.111 2.050 -8.677 206 2HE LYS 27 HE1 LYS 27 -2.802 1.947 -8.145 207 1HZ LYS 27 HZ1 LYS 27 -2.285 4.227 -8.655 208 2HZ LYS 27 HZ2 LYS 27 -0.921 4.194 -7.645 209 3HZ LYS 27 HZ3 LYS 27 -2.479 4.077 -6.977 210 H CYS 28 HN CYS 28 3.131 -0.378 -5.525 211 HA CYS 28 HA CYS 28 4.355 0.314 -2.883 212 1HB CYS 28 HB2 CYS 28 4.226 -2.124 -3.090 213 2HB CYS 28 HB1 CYS 28 4.972 -2.050 -4.685 214 H MET 29 HN MET 29 5.562 2.118 -3.353 215 HA MET 29 HA MET 29 7.438 2.007 -5.663 216 1HB MET 29 HB2 MET 29 5.096 3.815 -5.246 217 2HB MET 29 HB1 MET 29 6.552 4.526 -5.943 218 1HG MET 29 HG2 MET 29 5.666 1.917 -7.070 219 2HG MET 29 HG1 MET 29 4.676 3.326 -7.454 220 1HE MET 29 HE1 MET 29 8.822 2.202 -8.867 221 2HE MET 29 HE2 MET 29 7.582 1.249 -8.057 222 3HE MET 29 HE3 MET 29 8.570 2.370 -7.125 223 H ASN 30 HN ASN 30 9.333 3.225 -5.273 224 HA ASN 30 HA ASN 30 10.947 4.358 -3.966 225 1HB ASN 30 HB2 ASN 30 8.797 5.937 -4.239 226 2HB ASN 30 HB1 ASN 30 8.727 5.712 -2.491 227 1HD2 ASN 30 HD21 ASN 30 11.805 5.366 -2.528 228 2HD2 ASN 30 HD22 ASN 30 12.386 6.959 -2.620 229 H GLY 31 HN GLY 31 9.793 1.805 -2.978 230 1HA GLY 31 HA2 GLY 31 9.890 0.494 -1.035 231 2HA GLY 31 HA1 GLY 31 10.951 1.739 -0.374 232 H LYS 32 HN LYS 32 7.632 2.279 -1.460 233 HA LYS 32 HA LYS 32 6.747 2.530 1.381 234 1HB LYS 32 HB2 LYS 32 6.666 4.630 -0.806 235 2HB LYS 32 HB1 LYS 32 5.746 4.762 0.692 236 1HG LYS 32 HG2 LYS 32 7.695 4.906 2.019 237 2HG LYS 32 HG1 LYS 32 8.720 4.264 0.735 238 1HD LYS 32 HD2 LYS 32 9.076 6.322 -0.104 239 2HD LYS 32 HD1 LYS 32 7.345 6.654 -0.159 240 1HE LYS 32 HE2 LYS 32 7.404 7.852 1.780 241 2HE LYS 32 HE1 LYS 32 8.481 6.681 2.567 242 1HZ LYS 32 HZ1 LYS 32 10.285 7.510 1.116 243 2HZ LYS 32 HZ2 LYS 32 9.702 8.695 2.186 244 3HZ LYS 32 HZ3 LYS 32 9.246 8.725 0.550 245 H CYS 33 HN CYS 33 4.367 2.551 1.557 246 HA CYS 33 HA CYS 33 3.098 0.989 -0.625 247 1HB CYS 33 HB2 CYS 33 3.127 0.544 1.960 248 2HB CYS 33 HB1 CYS 33 1.846 1.751 2.006 249 H LYS 34 HN LYS 34 1.861 2.057 -2.112 250 HA LYS 34 HA LYS 34 0.898 4.806 -1.489 251 1HB LYS 34 HB2 LYS 34 1.180 3.163 -4.023 252 2HB LYS 34 HB1 LYS 34 0.532 4.803 -3.990 253 1HG LYS 34 HG2 LYS 34 2.952 4.849 -2.507 254 2HG LYS 34 HG1 LYS 34 3.283 3.967 -3.998 255 1HD LYS 34 HD2 LYS 34 1.652 6.430 -4.284 256 2HD LYS 34 HD1 LYS 34 3.342 6.670 -3.843 257 1HE LYS 34 HE2 LYS 34 4.134 5.743 -5.836 258 2HE LYS 34 HE1 LYS 34 2.668 4.773 -6.081 259 1HZ LYS 34 HZ1 LYS 34 2.981 7.706 -6.372 260 2HZ LYS 34 HZ2 LYS 34 1.458 6.963 -6.234 261 3HZ LYS 34 HZ3 LYS 34 2.473 6.592 -7.546 262 H CYS 35 HN CYS 35 -0.991 4.321 -0.232 263 HA CYS 35 HA CYS 35 -2.995 2.422 -1.244 264 1HB CYS 35 HB2 CYS 35 -2.620 4.240 1.122 265 2HB CYS 35 HB1 CYS 35 -4.206 3.532 0.811 266 H TYR 36 HN TYR 36 -5.035 3.002 -2.080 267 HA TYR 36 HA TYR 36 -5.529 5.906 -2.613 268 1HB TYR 36 HB2 TYR 36 -5.004 3.670 -4.463 269 2HB TYR 36 HB1 TYR 36 -6.431 4.621 -4.876 270 HD1 TYR 36 HD1 TYR 36 -2.846 5.046 -3.852 271 HD2 TYR 36 HD2 TYR 36 -6.180 6.621 -6.054 272 HE1 TYR 36 HE1 TYR 36 -1.397 6.841 -4.764 273 HE2 TYR 36 HE2 TYR 36 -4.733 8.415 -6.966 274 HH TYR 36 HH TYR 36 -2.636 9.576 -6.344 275 HA PRO 37 HA PRO 37 -9.245 3.958 -0.710 276 1HB PRO 37 HB2 PRO 37 -10.042 6.648 -0.072 277 2HB PRO 37 HB1 PRO 37 -9.484 5.388 1.032 278 1HG PRO 37 HG2 PRO 37 -8.082 7.754 0.208 279 2HG PRO 37 HG1 PRO 37 -7.528 6.492 1.312 280 1HD PRO 37 HD2 PRO 37 -6.611 7.019 -1.370 281 2HD PRO 37 HD1 PRO 37 -6.068 5.732 -0.264 Start of MODEL 9 1 1H VAL 1 HT1 VAL 1 -2.566 9.047 0.958 2 2H VAL 1 HT2 VAL 1 -1.056 9.716 1.357 3 3H VAL 1 HT3 VAL 1 -2.484 10.433 1.933 4 HA VAL 1 HA VAL 1 -1.579 9.231 3.756 5 HB VAL 1 HB VAL 1 -4.030 9.141 3.235 6 1HG1 VAL 1 HG11 VAL 1 -3.063 7.078 1.423 7 2HG1 VAL 1 HG12 VAL 1 -4.629 7.888 1.455 8 3HG1 VAL 1 HG13 VAL 1 -4.349 6.468 2.464 9 1HG2 VAL 1 HG21 VAL 1 -2.485 7.270 4.848 10 2HG2 VAL 1 HG22 VAL 1 -4.032 6.577 4.361 11 3HG2 VAL 1 HG23 VAL 1 -3.987 8.104 5.244 12 H PHE 2 HN PHE 2 0.400 8.538 1.957 13 HA PHE 2 HA PHE 2 0.387 5.602 1.593 14 1HB PHE 2 HB2 PHE 2 2.392 7.793 0.963 15 2HB PHE 2 HB1 PHE 2 2.548 6.114 0.454 16 HD1 PHE 2 HD1 PHE 2 -0.871 6.662 0.446 17 HD2 PHE 2 HD2 PHE 2 2.652 7.772 -1.753 18 HE1 PHE 2 HE1 PHE 2 -2.264 7.133 -1.549 19 HE2 PHE 2 HE2 PHE 2 1.255 8.239 -3.745 20 HZ PHE 2 HZ PHE 2 -1.201 7.922 -3.644 21 H ILE 3 HN ILE 3 2.028 4.238 2.564 22 HA ILE 3 HA ILE 3 3.153 5.363 5.109 23 HB ILE 3 HB ILE 3 2.937 3.079 5.951 24 1HG1 ILE 3 HG12 ILE 3 1.994 2.420 3.141 25 2HG1 ILE 3 HG11 ILE 3 3.526 1.915 3.855 26 1HG2 ILE 3 HG21 ILE 3 0.874 3.970 6.367 27 2HG2 ILE 3 HG22 ILE 3 0.355 2.803 5.151 28 3HG2 ILE 3 HG23 ILE 3 0.646 4.483 4.695 29 1HD1 ILE 3 HD11 ILE 3 2.355 0.049 4.441 30 2HD1 ILE 3 HD12 ILE 3 0.797 0.866 4.310 31 3HD1 ILE 3 HD13 ILE 3 1.776 1.062 5.763 32 H ASN 4 HN ASN 4 5.331 4.766 5.649 33 HA ASN 4 HA ASN 4 7.120 4.454 3.380 34 1HB ASN 4 HB2 ASN 4 8.815 4.464 5.257 35 2HB ASN 4 HB1 ASN 4 7.697 5.828 5.289 36 1HD2 ASN 4 HD21 ASN 4 8.210 2.578 6.734 37 2HD2 ASN 4 HD22 ASN 4 7.382 2.922 8.176 38 H ALA 5 HN ALA 5 5.278 2.193 5.001 39 HA ALA 5 HA ALA 5 6.816 0.013 5.704 40 1HB ALA 5 HB1 ALA 5 4.920 -1.324 4.648 41 2HB ALA 5 HB2 ALA 5 4.316 0.202 4.002 42 3HB ALA 5 HB3 ALA 5 4.411 -0.042 5.747 43 H LYS 6 HN LYS 6 8.583 -0.842 4.677 44 HA LYS 6 HA LYS 6 9.250 -0.413 1.927 45 1HB LYS 6 HB2 LYS 6 10.577 -1.148 4.092 46 2HB LYS 6 HB1 LYS 6 10.222 -2.770 3.495 47 1HG LYS 6 HG2 LYS 6 11.053 -1.562 1.200 48 2HG LYS 6 HG1 LYS 6 12.037 -0.711 2.390 49 1HD LYS 6 HD2 LYS 6 11.830 -3.726 2.122 50 2HD LYS 6 HD1 LYS 6 13.185 -2.743 1.569 51 1HE LYS 6 HE2 LYS 6 12.263 -2.658 4.450 52 2HE LYS 6 HE1 LYS 6 13.454 -3.846 3.883 53 1HZ LYS 6 HZ1 LYS 6 13.634 -0.898 3.850 54 2HZ LYS 6 HZ2 LYS 6 14.559 -1.837 2.778 55 3HZ LYS 6 HZ3 LYS 6 14.753 -2.020 4.455 56 H CYS 7 HN CYS 7 6.920 -1.122 1.213 57 HA CYS 7 HA CYS 7 5.961 -3.749 1.187 58 1HB CYS 7 HB2 CYS 7 5.071 -3.039 -1.125 59 2HB CYS 7 HB1 CYS 7 4.673 -1.986 0.230 60 H ARG 8 HN ARG 8 6.211 -5.491 -0.405 61 HA ARG 8 HA ARG 8 8.985 -5.941 -1.170 62 1HB ARG 8 HB2 ARG 8 6.365 -7.409 -1.550 63 2HB ARG 8 HB1 ARG 8 7.903 -8.054 -2.123 64 1HG ARG 8 HG2 ARG 8 7.818 -7.100 0.696 65 2HG ARG 8 HG1 ARG 8 6.948 -8.591 0.336 66 1HD ARG 8 HD2 ARG 8 9.614 -8.489 -0.909 67 2HD ARG 8 HD1 ARG 8 9.656 -8.456 0.866 68 HE ARG 8 HE ARG 8 7.734 -10.392 0.159 69 1HH1 ARG 8 HH11 ARG 8 10.626 -10.086 -1.475 70 2HH1 ARG 8 HH12 ARG 8 11.265 -11.628 -1.014 71 1HH2 ARG 8 HH21 ARG 8 8.759 -12.276 1.293 72 2HH2 ARG 8 HH22 ARG 8 10.214 -12.862 0.559 73 H GLY 9 HN GLY 9 6.264 -4.488 -2.719 74 1HA GLY 9 HA2 GLY 9 7.429 -3.402 -4.906 75 2HA GLY 9 HA1 GLY 9 7.235 -5.072 -5.439 76 H SER 10 HN SER 10 4.706 -5.249 -3.741 77 HA SER 10 HA SER 10 2.743 -3.386 -4.527 78 1HB SER 10 HB2 SER 10 3.801 -5.059 -6.669 79 2HB SER 10 HB1 SER 10 2.055 -5.234 -6.507 80 HG SER 10 HG SER 10 1.838 -3.293 -7.273 81 HA PRO 11 HA PRO 11 0.536 -7.685 -3.919 82 1HB PRO 11 HB2 PRO 11 2.586 -9.548 -3.135 83 2HB PRO 11 HB1 PRO 11 1.525 -9.622 -4.546 84 1HG PRO 11 HG2 PRO 11 4.339 -9.007 -4.468 85 2HG PRO 11 HG1 PRO 11 3.287 -9.138 -5.881 86 1HD PRO 11 HD2 PRO 11 4.427 -6.758 -4.780 87 2HD PRO 11 HD1 PRO 11 3.278 -6.875 -6.133 88 H GLU 12 HN GLU 12 3.149 -6.306 -2.148 89 HA GLU 12 HA GLU 12 2.181 -7.388 0.450 90 1HB GLU 12 HB2 GLU 12 4.668 -6.614 -0.686 91 2HB GLU 12 HB1 GLU 12 4.333 -5.478 0.622 92 1HG GLU 12 HG2 GLU 12 4.139 -8.489 0.911 93 2HG GLU 12 HG1 GLU 12 5.558 -7.545 1.370 94 H CYS 13 HN CYS 13 2.304 -4.432 -1.456 95 HA CYS 13 HA CYS 13 1.495 -2.643 0.690 96 1HB CYS 13 HB2 CYS 13 2.670 -1.720 -1.157 97 2HB CYS 13 HB1 CYS 13 1.653 -2.557 -2.327 98 H LEU 14 HN LEU 14 -0.187 -4.551 -1.786 99 HA LEU 14 HA LEU 14 -2.763 -3.369 -1.576 100 1HB LEU 14 HB2 LEU 14 -1.487 -5.763 -2.638 101 2HB LEU 14 HB1 LEU 14 -3.108 -6.109 -2.037 102 HG LEU 14 HG LEU 14 -3.308 -5.434 -4.350 103 1HD1 LEU 14 HD11 LEU 14 -5.136 -4.223 -3.849 104 2HD1 LEU 14 HD12 LEU 14 -4.141 -2.842 -3.382 105 3HD1 LEU 14 HD13 LEU 14 -4.535 -4.087 -2.196 106 1HD2 LEU 14 HD21 LEU 14 -1.707 -3.004 -3.484 107 2HD2 LEU 14 HD22 LEU 14 -2.477 -3.180 -5.062 108 3HD2 LEU 14 HD23 LEU 14 -1.172 -4.270 -4.590 109 HA PRO 15 HA PRO 15 -3.762 -6.758 1.767 110 1HB PRO 15 HB2 PRO 15 -1.240 -7.544 2.911 111 2HB PRO 15 HB1 PRO 15 -2.410 -8.559 2.062 112 1HG PRO 15 HG2 PRO 15 0.158 -7.644 1.127 113 2HG PRO 15 HG1 PRO 15 -0.986 -8.710 0.310 114 1HD PRO 15 HD2 PRO 15 -0.349 -6.005 -0.371 115 2HD PRO 15 HD1 PRO 15 -1.588 -7.043 -1.115 116 H LYS 16 HN LYS 16 -0.627 -5.123 2.365 117 HA LYS 16 HA LYS 16 -1.051 -4.270 5.018 118 1HB LYS 16 HB2 LYS 16 0.461 -3.298 2.615 119 2HB LYS 16 HB1 LYS 16 0.403 -2.259 4.039 120 1HG LYS 16 HG2 LYS 16 0.929 -4.911 4.938 121 2HG LYS 16 HG1 LYS 16 2.029 -4.576 3.601 122 1HD LYS 16 HD2 LYS 16 3.002 -2.742 4.687 123 2HD LYS 16 HD1 LYS 16 1.620 -2.524 5.762 124 1HE LYS 16 HE2 LYS 16 3.380 -4.991 5.870 125 2HE LYS 16 HE1 LYS 16 3.675 -3.552 6.866 126 1HZ LYS 16 HZ1 LYS 16 1.247 -5.253 6.798 127 2HZ LYS 16 HZ2 LYS 16 1.253 -3.700 7.488 128 3HZ LYS 16 HZ3 LYS 16 2.247 -4.921 8.128 129 H CYS 17 HN CYS 17 -2.226 -2.930 1.963 130 HA CYS 17 HA CYS 17 -3.300 -0.473 3.026 131 1HB CYS 17 HB2 CYS 17 -2.774 -1.301 0.597 132 2HB CYS 17 HB1 CYS 17 -4.395 -1.993 0.662 133 H LYS 18 HN LYS 18 -4.710 -3.688 2.382 134 HA LYS 18 HA LYS 18 -7.403 -3.174 3.051 135 1HB LYS 18 HB2 LYS 18 -6.482 -5.254 2.072 136 2HB LYS 18 HB1 LYS 18 -5.674 -5.612 3.599 137 1HG LYS 18 HG2 LYS 18 -7.584 -6.358 4.569 138 2HG LYS 18 HG1 LYS 18 -8.550 -5.053 3.877 139 1HD LYS 18 HD2 LYS 18 -7.732 -6.713 1.720 140 2HD LYS 18 HD1 LYS 18 -8.337 -7.776 2.991 141 1HE LYS 18 HE2 LYS 18 -10.035 -5.423 2.686 142 2HE LYS 18 HE1 LYS 18 -9.914 -6.349 1.176 143 1HZ LYS 18 HZ1 LYS 18 -11.588 -7.088 3.012 144 2HZ LYS 18 HZ2 LYS 18 -10.212 -7.784 3.725 145 3HZ LYS 18 HZ3 LYS 18 -10.692 -8.251 2.164 146 H GLU 19 HN GLU 19 -4.587 -3.690 5.118 147 HA GLU 19 HA GLU 19 -6.225 -3.724 7.582 148 1HB GLU 19 HB2 GLU 19 -3.328 -4.036 6.815 149 2HB GLU 19 HB1 GLU 19 -3.765 -3.777 8.503 150 1HG GLU 19 HG2 GLU 19 -5.542 -5.744 7.473 151 2HG GLU 19 HG1 GLU 19 -3.913 -6.203 6.975 152 H ALA 20 HN ALA 20 -4.603 -1.434 5.577 153 HA ALA 20 HA ALA 20 -4.081 0.534 7.689 154 1HB ALA 20 HB1 ALA 20 -4.213 1.217 4.782 155 2HB ALA 20 HB2 ALA 20 -3.007 0.032 5.286 156 3HB ALA 20 HB3 ALA 20 -2.994 1.654 5.980 157 H ILE 21 HN ILE 21 -6.359 0.328 4.916 158 HA ILE 21 HA ILE 21 -8.163 2.201 6.418 159 HB ILE 21 HB ILE 21 -8.768 2.962 4.026 160 1HG1 ILE 21 HG12 ILE 21 -6.108 1.620 3.452 161 2HG1 ILE 21 HG11 ILE 21 -7.670 0.977 2.945 162 1HG2 ILE 21 HG21 ILE 21 -6.563 3.632 5.764 163 2HG2 ILE 21 HG22 ILE 21 -7.524 4.697 4.737 164 3HG2 ILE 21 HG23 ILE 21 -6.098 3.892 4.082 165 1HD1 ILE 21 HD11 ILE 21 -8.085 3.189 1.779 166 2HD1 ILE 21 HD12 ILE 21 -6.791 2.218 1.082 167 3HD1 ILE 21 HD13 ILE 21 -6.403 3.596 2.110 168 H GLY 22 HN GLY 22 -7.819 -0.847 4.935 169 1HA GLY 22 HA2 GLY 22 -9.436 -2.587 4.874 170 2HA GLY 22 HA1 GLY 22 -10.672 -1.413 5.331 171 H LYS 23 HN LYS 23 -8.447 -0.929 2.649 172 HA LYS 23 HA LYS 23 -10.606 -1.575 0.697 173 1HB LYS 23 HB2 LYS 23 -9.854 1.028 1.644 174 2HB LYS 23 HB1 LYS 23 -9.386 0.895 -0.051 175 1HG LYS 23 HG2 LYS 23 -11.933 -0.298 0.123 176 2HG LYS 23 HG1 LYS 23 -12.033 1.178 1.085 177 1HD LYS 23 HD2 LYS 23 -10.943 2.387 -0.867 178 2HD LYS 23 HD1 LYS 23 -11.193 0.918 -1.811 179 1HE LYS 23 HE2 LYS 23 -13.634 1.046 -1.343 180 2HE LYS 23 HE1 LYS 23 -13.365 2.563 -0.460 181 1HZ LYS 23 HZ1 LYS 23 -13.830 3.222 -2.648 182 2HZ LYS 23 HZ2 LYS 23 -12.867 1.996 -3.324 183 3HZ LYS 23 HZ3 LYS 23 -12.140 3.311 -2.531 184 H ALA 24 HN ALA 24 -9.424 -3.155 -0.389 185 HA ALA 24 HA ALA 24 -6.593 -3.075 -0.860 186 1HB ALA 24 HB1 ALA 24 -8.525 -4.485 -2.674 187 2HB ALA 24 HB2 ALA 24 -8.457 -4.957 -0.976 188 3HB ALA 24 HB3 ALA 24 -7.014 -5.075 -1.982 189 H ALA 25 HN ALA 25 -6.904 -0.605 -1.575 190 HA ALA 25 HA ALA 25 -6.957 -0.600 -4.569 191 1HB ALA 25 HB1 ALA 25 -7.889 1.830 -3.165 192 2HB ALA 25 HB2 ALA 25 -8.925 0.419 -2.953 193 3HB ALA 25 HB3 ALA 25 -8.572 1.019 -4.574 194 H GLY 26 HN GLY 26 -4.597 -0.600 -4.481 195 1HA GLY 26 HA2 GLY 26 -3.389 1.967 -4.497 196 2HA GLY 26 HA1 GLY 26 -3.067 1.236 -2.925 197 H LYS 27 HN LYS 27 -0.795 1.557 -4.054 198 HA LYS 27 HA LYS 27 0.001 -1.127 -5.039 199 1HB LYS 27 HB2 LYS 27 0.671 1.421 -6.543 200 2HB LYS 27 HB1 LYS 27 1.002 -0.234 -7.052 201 1HG LYS 27 HG2 LYS 27 -1.494 -0.649 -7.020 202 2HG LYS 27 HG1 LYS 27 -1.709 1.086 -6.773 203 1HD LYS 27 HD2 LYS 27 0.002 1.114 -8.880 204 2HD LYS 27 HD1 LYS 27 -0.866 -0.386 -9.205 205 1HE LYS 27 HE2 LYS 27 -2.024 1.505 -10.285 206 2HE LYS 27 HE1 LYS 27 -3.030 0.866 -8.970 207 1HZ LYS 27 HZ1 LYS 27 -2.506 3.403 -9.079 208 2HZ LYS 27 HZ2 LYS 27 -1.033 2.937 -8.373 209 3HZ LYS 27 HZ3 LYS 27 -2.500 2.599 -7.586 210 H CYS 28 HN CYS 28 2.550 -1.040 -5.376 211 HA CYS 28 HA CYS 28 3.687 0.488 -3.061 212 1HB CYS 28 HB2 CYS 28 3.861 -1.823 -2.628 213 2HB CYS 28 HB1 CYS 28 4.189 -2.205 -4.315 214 H MET 29 HN MET 29 5.474 1.801 -3.438 215 HA MET 29 HA MET 29 6.933 1.600 -6.008 216 1HB MET 29 HB2 MET 29 6.358 3.824 -6.688 217 2HB MET 29 HB1 MET 29 4.838 3.063 -6.217 218 1HG MET 29 HG2 MET 29 4.597 4.961 -4.967 219 2HG MET 29 HG1 MET 29 5.612 4.080 -3.826 220 1HE MET 29 HE1 MET 29 5.299 6.413 -6.694 221 2HE MET 29 HE2 MET 29 6.753 5.688 -7.373 222 3HE MET 29 HE3 MET 29 6.796 7.349 -6.789 223 H ASN 30 HN ASN 30 9.083 2.031 -5.634 224 HA ASN 30 HA ASN 30 11.041 2.730 -4.514 225 1HB ASN 30 HB2 ASN 30 9.335 4.850 -4.793 226 2HB ASN 30 HB1 ASN 30 9.584 4.844 -3.046 227 1HD2 ASN 30 HD21 ASN 30 11.278 6.224 -2.508 228 2HD2 ASN 30 HD22 ASN 30 12.704 6.417 -3.407 229 H GLY 31 HN GLY 31 9.521 0.657 -3.222 230 1HA GLY 31 HA2 GLY 31 9.506 -0.456 -1.156 231 2HA GLY 31 HA1 GLY 31 10.666 0.747 -0.593 232 H LYS 32 HN LYS 32 7.506 1.636 -1.846 233 HA LYS 32 HA LYS 32 6.555 2.174 0.941 234 1HB LYS 32 HB2 LYS 32 6.406 4.111 -1.391 235 2HB LYS 32 HB1 LYS 32 6.010 4.445 0.296 236 1HG LYS 32 HG2 LYS 32 8.547 3.554 0.594 237 2HG LYS 32 HG1 LYS 32 8.665 4.255 -1.020 238 1HD LYS 32 HD2 LYS 32 7.374 5.780 1.237 239 2HD LYS 32 HD1 LYS 32 9.123 5.806 1.007 240 1HE LYS 32 HE2 LYS 32 8.785 7.465 -0.506 241 2HE LYS 32 HE1 LYS 32 8.051 6.240 -1.561 242 1HZ LYS 32 HZ1 LYS 32 6.283 7.645 -1.269 243 2HZ LYS 32 HZ2 LYS 32 6.753 8.109 0.296 244 3HZ LYS 32 HZ3 LYS 32 6.033 6.592 0.036 245 H CYS 33 HN CYS 33 4.192 2.325 1.066 246 HA CYS 33 HA CYS 33 2.846 0.977 -1.250 247 1HB CYS 33 HB2 CYS 33 2.867 -0.316 0.787 248 2HB CYS 33 HB1 CYS 33 2.311 1.064 1.732 249 H LYS 34 HN LYS 34 1.285 2.113 -2.318 250 HA LYS 34 HA LYS 34 0.403 4.739 -1.201 251 1HB LYS 34 HB2 LYS 34 -0.140 3.643 -3.962 252 2HB LYS 34 HB1 LYS 34 0.008 5.326 -3.462 253 1HG LYS 34 HG2 LYS 34 2.388 5.110 -3.163 254 2HG LYS 34 HG1 LYS 34 2.313 3.360 -3.369 255 1HD LYS 34 HD2 LYS 34 2.991 4.044 -5.492 256 2HD LYS 34 HD1 LYS 34 1.241 3.959 -5.692 257 1HE LYS 34 HE2 LYS 34 1.489 6.514 -4.777 258 2HE LYS 34 HE1 LYS 34 3.018 6.336 -5.661 259 1HZ LYS 34 HZ1 LYS 34 1.963 6.150 -7.615 260 2HZ LYS 34 HZ2 LYS 34 0.637 6.852 -6.822 261 3HZ LYS 34 HZ3 LYS 34 0.736 5.165 -6.987 262 H CYS 35 HN CYS 35 -1.828 5.156 -0.883 263 HA CYS 35 HA CYS 35 -3.796 3.049 -1.603 264 1HB CYS 35 HB2 CYS 35 -2.958 3.916 1.161 265 2HB CYS 35 HB1 CYS 35 -4.563 3.242 0.877 266 H TYR 36 HN TYR 36 -5.874 3.912 -1.903 267 HA TYR 36 HA TYR 36 -6.088 6.859 -1.905 268 1HB TYR 36 HB2 TYR 36 -7.885 4.593 -2.819 269 2HB TYR 36 HB1 TYR 36 -8.238 6.301 -3.080 270 HD1 TYR 36 HD1 TYR 36 -6.372 3.422 -4.224 271 HD2 TYR 36 HD2 TYR 36 -6.596 7.708 -4.412 272 HE1 TYR 36 HE1 TYR 36 -4.934 3.409 -6.243 273 HE2 TYR 36 HE2 TYR 36 -5.158 7.694 -6.431 274 HH TYR 36 HH TYR 36 -4.654 5.917 -8.318 275 HA PRO 37 HA PRO 37 -8.035 6.708 2.148 276 1HB PRO 37 HB2 PRO 37 -8.977 9.392 1.726 277 2HB PRO 37 HB1 PRO 37 -7.622 8.860 2.725 278 1HG PRO 37 HG2 PRO 37 -7.520 10.262 0.222 279 2HG PRO 37 HG1 PRO 37 -6.169 9.733 1.228 280 1HD PRO 37 HD2 PRO 37 -7.012 8.649 -1.306 281 2HD PRO 37 HD1 PRO 37 -5.663 8.103 -0.280 Start of MODEL 10 1 1H VAL 1 HT1 VAL 1 -0.691 10.106 1.834 2 2H VAL 1 HT2 VAL 1 -2.180 10.811 2.243 3 3H VAL 1 HT3 VAL 1 -2.119 9.540 1.118 4 HA VAL 1 HA VAL 1 -1.584 9.378 4.039 5 HB VAL 1 HB VAL 1 -3.930 9.505 3.246 6 1HG1 VAL 1 HG11 VAL 1 -4.588 7.302 1.917 7 2HG1 VAL 1 HG12 VAL 1 -2.908 7.389 1.390 8 3HG1 VAL 1 HG13 VAL 1 -4.004 8.730 1.061 9 1HG2 VAL 1 HG21 VAL 1 -2.752 7.449 4.813 10 2HG2 VAL 1 HG22 VAL 1 -4.002 6.685 3.833 11 3HG2 VAL 1 HG23 VAL 1 -4.412 8.038 4.889 12 H PHE 2 HN PHE 2 0.592 8.752 2.417 13 HA PHE 2 HA PHE 2 0.487 5.844 1.827 14 1HB PHE 2 HB2 PHE 2 2.639 7.964 1.517 15 2HB PHE 2 HB1 PHE 2 2.745 6.318 0.897 16 HD1 PHE 2 HD1 PHE 2 -0.482 6.498 0.388 17 HD2 PHE 2 HD2 PHE 2 2.986 8.694 -0.887 18 HE1 PHE 2 HE1 PHE 2 -1.676 7.192 -1.670 19 HE2 PHE 2 HE2 PHE 2 1.790 9.387 -2.943 20 HZ PHE 2 HZ PHE 2 -0.541 8.638 -3.336 21 H ILE 3 HN ILE 3 2.752 4.758 2.530 22 HA ILE 3 HA ILE 3 3.350 5.517 5.363 23 HB ILE 3 HB ILE 3 3.397 2.644 4.945 24 1HG1 ILE 3 HG12 ILE 3 0.679 3.948 4.577 25 2HG1 ILE 3 HG11 ILE 3 1.608 3.244 3.253 26 1HG2 ILE 3 HG21 ILE 3 2.790 4.547 6.939 27 2HG2 ILE 3 HG22 ILE 3 2.845 2.793 7.116 28 3HG2 ILE 3 HG23 ILE 3 1.325 3.591 6.712 29 1HD1 ILE 3 HD11 ILE 3 -0.157 1.887 4.959 30 2HD1 ILE 3 HD12 ILE 3 1.453 1.412 5.502 31 3HD1 ILE 3 HD13 ILE 3 0.978 1.157 3.823 32 H ASN 4 HN ASN 4 5.481 5.005 6.025 33 HA ASN 4 HA ASN 4 7.474 4.886 3.911 34 1HB ASN 4 HB2 ASN 4 9.000 4.827 5.944 35 2HB ASN 4 HB1 ASN 4 7.862 6.173 5.917 36 1HD2 ASN 4 HD21 ASN 4 8.644 3.125 7.526 37 2HD2 ASN 4 HD22 ASN 4 7.529 3.301 8.794 38 H ALA 5 HN ALA 5 5.676 2.503 5.549 39 HA ALA 5 HA ALA 5 7.346 0.357 6.062 40 1HB ALA 5 HB1 ALA 5 5.258 -0.800 4.685 41 2HB ALA 5 HB2 ALA 5 4.602 0.793 5.067 42 3HB ALA 5 HB3 ALA 5 5.170 -0.261 6.362 43 H LYS 6 HN LYS 6 9.104 -0.221 4.814 44 HA LYS 6 HA LYS 6 9.412 0.236 2.024 45 1HB LYS 6 HB2 LYS 6 11.097 -0.358 3.880 46 2HB LYS 6 HB1 LYS 6 10.645 -2.036 3.581 47 1HG LYS 6 HG2 LYS 6 11.097 -1.386 1.061 48 2HG LYS 6 HG1 LYS 6 12.083 -0.113 1.784 49 1HD LYS 6 HD2 LYS 6 13.654 -1.581 2.546 50 2HD LYS 6 HD1 LYS 6 12.455 -2.810 2.948 51 1HE LYS 6 HE2 LYS 6 13.974 -3.472 1.040 52 2HE LYS 6 HE1 LYS 6 12.258 -3.444 0.588 53 1HZ LYS 6 HZ1 LYS 6 13.918 -2.175 -0.890 54 2HZ LYS 6 HZ2 LYS 6 13.920 -1.016 0.354 55 3HZ LYS 6 HZ3 LYS 6 12.474 -1.399 -0.452 56 H CYS 7 HN CYS 7 7.574 -0.515 0.874 57 HA CYS 7 HA CYS 7 6.504 -3.193 1.136 58 1HB CYS 7 HB2 CYS 7 5.195 -2.527 -0.801 59 2HB CYS 7 HB1 CYS 7 5.344 -1.128 0.261 60 H ARG 8 HN ARG 8 6.815 -4.963 -0.366 61 HA ARG 8 HA ARG 8 9.327 -4.747 -1.995 62 1HB ARG 8 HB2 ARG 8 8.257 -7.221 -0.619 63 2HB ARG 8 HB1 ARG 8 9.885 -6.945 -1.238 64 1HG ARG 8 HG2 ARG 8 9.825 -4.910 0.466 65 2HG ARG 8 HG1 ARG 8 8.606 -5.907 1.262 66 1HD ARG 8 HD2 ARG 8 10.187 -7.328 2.058 67 2HD ARG 8 HD1 ARG 8 10.934 -7.486 0.456 68 HE ARG 8 HE ARG 8 11.410 -5.044 2.116 69 1HH1 ARG 8 HH11 ARG 8 12.383 -6.844 -0.540 70 2HH1 ARG 8 HH12 ARG 8 14.078 -6.776 -0.189 71 1HH2 ARG 8 HH21 ARG 8 13.645 -5.347 2.940 72 2HH2 ARG 8 HH22 ARG 8 14.792 -5.933 1.781 73 H GLY 9 HN GLY 9 5.978 -5.339 -2.083 74 1HA GLY 9 HA2 GLY 9 6.186 -6.226 -4.879 75 2HA GLY 9 HA1 GLY 9 5.433 -7.388 -3.788 76 H SER 10 HN SER 10 4.482 -5.447 -6.048 77 HA SER 10 HA SER 10 2.692 -3.517 -5.069 78 1HB SER 10 HB2 SER 10 1.522 -4.983 -7.247 79 2HB SER 10 HB1 SER 10 2.333 -3.422 -7.292 80 HG SER 10 HG SER 10 3.280 -5.222 -8.555 81 HA PRO 11 HA PRO 11 -0.675 -7.021 -4.821 82 1HB PRO 11 HB2 PRO 11 0.734 -9.483 -4.333 83 2HB PRO 11 HB1 PRO 11 -0.309 -9.076 -5.700 84 1HG PRO 11 HG2 PRO 11 2.539 -9.371 -5.701 85 2HG PRO 11 HG1 PRO 11 1.498 -8.921 -7.055 86 1HD PRO 11 HD2 PRO 11 3.332 -7.248 -5.581 87 2HD PRO 11 HD1 PRO 11 2.319 -6.795 -6.975 88 H GLU 12 HN GLU 12 2.268 -6.757 -3.025 89 HA GLU 12 HA GLU 12 1.215 -7.911 -0.536 90 1HB GLU 12 HB2 GLU 12 3.606 -7.973 -1.216 91 2HB GLU 12 HB1 GLU 12 3.657 -6.211 -1.150 92 1HG GLU 12 HG2 GLU 12 3.512 -6.154 1.170 93 2HG GLU 12 HG1 GLU 12 2.703 -7.720 1.260 94 H CYS 13 HN CYS 13 1.797 -4.667 -1.889 95 HA CYS 13 HA CYS 13 1.067 -3.188 0.469 96 1HB CYS 13 HB2 CYS 13 1.741 -2.762 -2.334 97 2HB CYS 13 HB1 CYS 13 0.475 -1.654 -1.804 98 H LEU 14 HN LEU 14 -0.798 -4.867 -1.944 99 HA LEU 14 HA LEU 14 -3.241 -3.386 -1.784 100 1HB LEU 14 HB2 LEU 14 -2.220 -5.936 -2.795 101 2HB LEU 14 HB1 LEU 14 -3.890 -6.056 -2.247 102 HG LEU 14 HG LEU 14 -4.294 -3.892 -3.600 103 1HD1 LEU 14 HD11 LEU 14 -1.883 -4.819 -5.151 104 2HD1 LEU 14 HD12 LEU 14 -1.707 -3.643 -3.848 105 3HD1 LEU 14 HD13 LEU 14 -2.727 -3.273 -5.239 106 1HD2 LEU 14 HD21 LEU 14 -5.051 -6.198 -4.245 107 2HD2 LEU 14 HD22 LEU 14 -3.538 -6.405 -5.126 108 3HD2 LEU 14 HD23 LEU 14 -4.692 -5.171 -5.633 109 HA PRO 15 HA PRO 15 -4.573 -6.608 1.617 110 1HB PRO 15 HB2 PRO 15 -2.155 -7.739 2.684 111 2HB PRO 15 HB1 PRO 15 -3.468 -8.579 1.857 112 1HG PRO 15 HG2 PRO 15 -0.821 -7.991 0.869 113 2HG PRO 15 HG1 PRO 15 -2.105 -8.913 0.081 114 1HD PRO 15 HD2 PRO 15 -1.158 -6.312 -0.639 115 2HD PRO 15 HD1 PRO 15 -2.548 -7.185 -1.327 116 H LYS 16 HN LYS 16 -1.432 -4.979 1.789 117 HA LYS 16 HA LYS 16 -1.413 -4.344 4.580 118 1HB LYS 16 HB2 LYS 16 -0.134 -3.402 2.050 119 2HB LYS 16 HB1 LYS 16 0.014 -2.361 3.466 120 1HG LYS 16 HG2 LYS 16 0.654 -5.314 3.558 121 2HG LYS 16 HG1 LYS 16 1.865 -4.096 3.157 122 1HD LYS 16 HD2 LYS 16 1.020 -2.926 5.350 123 2HD LYS 16 HD1 LYS 16 0.412 -4.532 5.751 124 1HE LYS 16 HE2 LYS 16 2.498 -5.083 6.445 125 2HE LYS 16 HE1 LYS 16 3.060 -4.890 4.773 126 1HZ LYS 16 HZ1 LYS 16 3.699 -2.746 5.125 127 2HZ LYS 16 HZ2 LYS 16 3.963 -3.350 6.691 128 3HZ LYS 16 HZ3 LYS 16 2.551 -2.473 6.342 129 H CYS 17 HN CYS 17 -2.325 -2.290 1.785 130 HA CYS 17 HA CYS 17 -3.276 -0.062 3.252 131 1HB CYS 17 HB2 CYS 17 -4.224 -1.231 0.614 132 2HB CYS 17 HB1 CYS 17 -4.486 0.430 1.144 133 H LYS 18 HN LYS 18 -4.981 -3.028 2.239 134 HA LYS 18 HA LYS 18 -7.612 -2.298 3.028 135 1HB LYS 18 HB2 LYS 18 -7.092 -4.265 1.692 136 2HB LYS 18 HB1 LYS 18 -6.135 -4.948 3.007 137 1HG LYS 18 HG2 LYS 18 -8.504 -4.514 4.282 138 2HG LYS 18 HG1 LYS 18 -9.070 -4.877 2.652 139 1HD LYS 18 HD2 LYS 18 -7.752 -6.959 2.649 140 2HD LYS 18 HD1 LYS 18 -7.171 -6.596 4.275 141 1HE LYS 18 HE2 LYS 18 -9.932 -6.363 4.530 142 2HE LYS 18 HE1 LYS 18 -9.727 -7.759 3.452 143 1HZ LYS 18 HZ1 LYS 18 -8.448 -8.876 4.975 144 2HZ LYS 18 HZ2 LYS 18 -9.517 -8.065 6.019 145 3HZ LYS 18 HZ3 LYS 18 -7.947 -7.464 5.770 146 H GLU 19 HN GLU 19 -5.031 -3.930 4.896 147 HA GLU 19 HA GLU 19 -6.576 -4.105 7.338 148 1HB GLU 19 HB2 GLU 19 -3.632 -4.264 6.633 149 2HB GLU 19 HB1 GLU 19 -4.241 -4.573 8.260 150 1HG GLU 19 HG2 GLU 19 -5.712 -6.353 7.364 151 2HG GLU 19 HG1 GLU 19 -5.070 -6.058 5.747 152 H ALA 20 HN ALA 20 -4.853 -1.546 5.792 153 HA ALA 20 HA ALA 20 -4.402 -0.025 8.290 154 1HB ALA 20 HB1 ALA 20 -3.924 0.476 5.337 155 2HB ALA 20 HB2 ALA 20 -2.719 0.058 6.556 156 3HB ALA 20 HB3 ALA 20 -3.502 1.637 6.596 157 H ILE 21 HN ILE 21 -6.402 0.207 5.334 158 HA ILE 21 HA ILE 21 -8.079 2.258 6.745 159 HB ILE 21 HB ILE 21 -8.723 2.732 4.247 160 1HG1 ILE 21 HG12 ILE 21 -6.001 1.483 3.816 161 2HG1 ILE 21 HG11 ILE 21 -7.497 0.599 3.511 162 1HG2 ILE 21 HG21 ILE 21 -5.901 3.359 5.151 163 2HG2 ILE 21 HG22 ILE 21 -7.330 4.172 5.788 164 3HG2 ILE 21 HG23 ILE 21 -6.918 4.321 4.080 165 1HD1 ILE 21 HD11 ILE 21 -8.057 2.884 2.186 166 2HD1 ILE 21 HD12 ILE 21 -7.253 1.513 1.421 167 3HD1 ILE 21 HD13 ILE 21 -6.302 2.873 2.015 168 H GLY 22 HN GLY 22 -8.111 -0.693 4.774 169 1HA GLY 22 HA2 GLY 22 -9.973 -2.267 5.624 170 2HA GLY 22 HA1 GLY 22 -11.048 -0.912 5.278 171 H LYS 23 HN LYS 23 -9.023 -0.428 2.900 172 HA LYS 23 HA LYS 23 -10.242 -2.494 1.094 173 1HB LYS 23 HB2 LYS 23 -11.173 -0.084 1.112 174 2HB LYS 23 HB1 LYS 23 -9.649 0.374 0.349 175 1HG LYS 23 HG2 LYS 23 -10.416 -0.327 -1.643 176 2HG LYS 23 HG1 LYS 23 -10.670 -1.944 -0.988 177 1HD LYS 23 HD2 LYS 23 -12.784 -0.563 0.097 178 2HD LYS 23 HD1 LYS 23 -12.621 0.203 -1.483 179 1HE LYS 23 HE2 LYS 23 -12.316 -2.597 -1.898 180 2HE LYS 23 HE1 LYS 23 -13.751 -2.367 -0.879 181 1HZ LYS 23 HZ1 LYS 23 -14.578 -1.989 -2.994 182 2HZ LYS 23 HZ2 LYS 23 -13.162 -1.218 -3.532 183 3HZ LYS 23 HZ3 LYS 23 -14.219 -0.415 -2.471 184 H ALA 24 HN ALA 24 -8.872 -3.295 -0.536 185 HA ALA 24 HA ALA 24 -5.980 -2.775 -0.160 186 1HB ALA 24 HB1 ALA 24 -5.908 -4.970 -0.686 187 2HB ALA 24 HB2 ALA 24 -6.661 -4.647 -2.247 188 3HB ALA 24 HB3 ALA 24 -7.666 -4.955 -0.831 189 H ALA 25 HN ALA 25 -6.809 -0.477 -1.168 190 HA ALA 25 HA ALA 25 -6.467 -0.650 -4.143 191 1HB ALA 25 HB1 ALA 25 -7.456 1.847 -3.601 192 2HB ALA 25 HB2 ALA 25 -8.157 0.908 -2.283 193 3HB ALA 25 HB3 ALA 25 -8.463 0.445 -3.957 194 H GLY 26 HN GLY 26 -4.089 -0.671 -3.833 195 1HA GLY 26 HA2 GLY 26 -2.978 2.014 -3.819 196 2HA GLY 26 HA1 GLY 26 -2.524 1.098 -2.381 197 H LYS 27 HN LYS 27 -0.391 1.697 -3.768 198 HA LYS 27 HA LYS 27 0.301 -0.822 -5.227 199 1HB LYS 27 HB2 LYS 27 1.089 1.982 -6.073 200 2HB LYS 27 HB1 LYS 27 1.333 0.488 -6.978 201 1HG LYS 27 HG2 LYS 27 -0.614 1.061 -8.009 202 2HG LYS 27 HG1 LYS 27 -1.368 0.409 -6.553 203 1HD LYS 27 HD2 LYS 27 -1.845 2.495 -5.696 204 2HD LYS 27 HD1 LYS 27 -0.446 3.245 -6.465 205 1HE LYS 27 HE2 LYS 27 -2.675 2.203 -8.197 206 2HE LYS 27 HE1 LYS 27 -2.846 3.780 -7.401 207 1HZ LYS 27 HZ1 LYS 27 -0.482 4.188 -8.228 208 2HZ LYS 27 HZ2 LYS 27 -1.733 4.273 -9.375 209 3HZ LYS 27 HZ3 LYS 27 -0.750 2.891 -9.287 210 H CYS 28 HN CYS 28 2.830 -0.776 -5.576 211 HA CYS 28 HA CYS 28 4.115 0.278 -3.077 212 1HB CYS 28 HB2 CYS 28 3.960 -2.058 -2.804 213 2HB CYS 28 HB1 CYS 28 4.213 -2.368 -4.519 214 H MET 29 HN MET 29 5.494 1.910 -3.716 215 HA MET 29 HA MET 29 7.328 1.380 -6.009 216 1HB MET 29 HB2 MET 29 5.432 3.712 -5.633 217 2HB MET 29 HB1 MET 29 6.795 3.769 -6.751 218 1HG MET 29 HG2 MET 29 5.527 1.329 -7.294 219 2HG MET 29 HG1 MET 29 4.211 2.481 -7.077 220 1HE MET 29 HE1 MET 29 4.632 0.894 -9.275 221 2HE MET 29 HE2 MET 29 6.095 1.104 -10.234 222 3HE MET 29 HE3 MET 29 4.592 1.860 -10.757 223 H ASN 30 HN ASN 30 9.251 2.758 -5.933 224 HA ASN 30 HA ASN 30 11.043 3.741 -4.742 225 1HB ASN 30 HB2 ASN 30 8.520 5.171 -3.963 226 2HB ASN 30 HB1 ASN 30 10.035 5.621 -3.181 227 1HD2 ASN 30 HD21 ASN 30 10.976 7.363 -4.242 228 2HD2 ASN 30 HD22 ASN 30 10.959 7.611 -5.921 229 H GLY 31 HN GLY 31 9.544 1.352 -3.523 230 1HA GLY 31 HA2 GLY 31 9.823 0.075 -1.570 231 2HA GLY 31 HA1 GLY 31 11.010 1.268 -1.040 232 H LYS 32 HN LYS 32 7.601 1.856 -1.850 233 HA LYS 32 HA LYS 32 6.987 2.295 1.032 234 1HB LYS 32 HB2 LYS 32 7.366 4.317 -1.093 235 2HB LYS 32 HB1 LYS 32 5.896 4.523 -0.141 236 1HG LYS 32 HG2 LYS 32 7.115 4.660 1.902 237 2HG LYS 32 HG1 LYS 32 8.593 4.067 1.142 238 1HD LYS 32 HD2 LYS 32 8.886 6.426 1.355 239 2HD LYS 32 HD1 LYS 32 8.501 6.145 -0.343 240 1HE LYS 32 HE2 LYS 32 6.787 7.612 -0.116 241 2HE LYS 32 HE1 LYS 32 6.011 6.451 0.979 242 1HZ LYS 32 HZ1 LYS 32 6.727 8.825 1.820 243 2HZ LYS 32 HZ2 LYS 32 8.231 8.057 2.013 244 3HZ LYS 32 HZ3 LYS 32 6.860 7.463 2.821 245 H CYS 33 HN CYS 33 4.561 2.735 1.283 246 HA CYS 33 HA CYS 33 3.069 1.142 -0.773 247 1HB CYS 33 HB2 CYS 33 3.385 0.647 1.840 248 2HB CYS 33 HB1 CYS 33 1.997 1.728 1.951 249 H LYS 34 HN LYS 34 1.678 2.297 -2.034 250 HA LYS 34 HA LYS 34 0.737 4.966 -1.053 251 1HB LYS 34 HB2 LYS 34 1.379 3.710 -3.694 252 2HB LYS 34 HB1 LYS 34 0.169 4.993 -3.662 253 1HG LYS 34 HG2 LYS 34 1.970 6.241 -2.192 254 2HG LYS 34 HG1 LYS 34 3.087 5.126 -2.981 255 1HD LYS 34 HD2 LYS 34 1.171 7.015 -4.381 256 2HD LYS 34 HD1 LYS 34 2.922 7.202 -4.277 257 1HE LYS 34 HE2 LYS 34 2.358 4.564 -5.263 258 2HE LYS 34 HE1 LYS 34 1.460 5.745 -6.238 259 1HZ LYS 34 HZ1 LYS 34 3.346 6.790 -6.896 260 2HZ LYS 34 HZ2 LYS 34 4.022 5.251 -6.644 261 3HZ LYS 34 HZ3 LYS 34 4.180 6.456 -5.457 262 H CYS 35 HN CYS 35 -1.093 4.179 0.173 263 HA CYS 35 HA CYS 35 -3.107 2.507 -1.216 264 1HB CYS 35 HB2 CYS 35 -3.192 3.765 1.539 265 2HB CYS 35 HB1 CYS 35 -4.087 2.354 0.977 266 H TYR 36 HN TYR 36 -5.105 3.300 -1.911 267 HA TYR 36 HA TYR 36 -5.484 6.267 -1.725 268 1HB TYR 36 HB2 TYR 36 -5.830 4.185 -3.815 269 2HB TYR 36 HB1 TYR 36 -7.061 5.447 -3.780 270 HD1 TYR 36 HD1 TYR 36 -3.330 5.082 -3.551 271 HD2 TYR 36 HD2 TYR 36 -6.648 7.421 -4.954 272 HE1 TYR 36 HE1 TYR 36 -1.758 6.645 -4.660 273 HE2 TYR 36 HE2 TYR 36 -5.076 8.984 -6.065 274 HH TYR 36 HH TYR 36 -2.281 8.463 -6.943 275 HA PRO 37 HA PRO 37 -9.061 5.389 0.769 276 1HB PRO 37 HB2 PRO 37 -10.327 7.818 -0.107 277 2HB PRO 37 HB1 PRO 37 -9.487 7.518 1.418 278 1HG PRO 37 HG2 PRO 37 -8.609 9.134 -0.779 279 2HG PRO 37 HG1 PRO 37 -7.759 8.811 0.734 280 1HD PRO 37 HD2 PRO 37 -7.135 7.808 -1.905 281 2HD PRO 37 HD1 PRO 37 -6.264 7.504 -0.382 Start of MODEL 11 1 1H VAL 1 HT1 VAL 1 -2.633 9.764 -0.240 2 2H VAL 1 HT2 VAL 1 -4.102 9.606 0.598 3 3H VAL 1 HT3 VAL 1 -3.356 8.238 -0.080 4 HA VAL 1 HA VAL 1 -1.781 9.759 1.857 5 HB VAL 1 HB VAL 1 -3.943 9.832 2.899 6 1HG1 VAL 1 HG11 VAL 1 -4.220 7.192 1.576 7 2HG1 VAL 1 HG12 VAL 1 -5.432 8.440 1.865 8 3HG1 VAL 1 HG13 VAL 1 -4.978 7.334 3.162 9 1HG2 VAL 1 HG21 VAL 1 -3.234 7.347 4.248 10 2HG2 VAL 1 HG22 VAL 1 -3.181 9.001 4.858 11 3HG2 VAL 1 HG23 VAL 1 -1.815 8.352 3.951 12 H PHE 2 HN PHE 2 0.027 8.511 2.167 13 HA PHE 2 HA PHE 2 -0.167 5.577 1.553 14 1HB PHE 2 HB2 PHE 2 2.215 7.409 1.155 15 2HB PHE 2 HB1 PHE 2 2.011 5.772 0.533 16 HD1 PHE 2 HD1 PHE 2 2.419 8.654 -0.863 17 HD2 PHE 2 HD2 PHE 2 -0.873 5.949 -0.325 18 HE1 PHE 2 HE1 PHE 2 1.342 9.561 -2.904 19 HE2 PHE 2 HE2 PHE 2 -1.952 6.856 -2.364 20 HZ PHE 2 HZ PHE 2 -0.846 8.663 -3.655 21 H ILE 3 HN ILE 3 2.012 4.532 2.508 22 HA ILE 3 HA ILE 3 2.540 5.652 5.232 23 HB ILE 3 HB ILE 3 2.389 3.163 5.946 24 1HG1 ILE 3 HG12 ILE 3 0.900 3.098 3.300 25 2HG1 ILE 3 HG11 ILE 3 2.372 2.207 3.684 26 1HG2 ILE 3 HG21 ILE 3 0.401 5.216 5.603 27 2HG2 ILE 3 HG22 ILE 3 0.510 3.990 6.864 28 3HG2 ILE 3 HG23 ILE 3 -0.348 3.637 5.365 29 1HD1 ILE 3 HD11 ILE 3 1.016 1.215 5.655 30 2HD1 ILE 3 HD12 ILE 3 0.656 0.623 4.034 31 3HD1 ILE 3 HD13 ILE 3 -0.404 1.809 4.794 32 H ASN 4 HN ASN 4 4.576 4.761 6.162 33 HA ASN 4 HA ASN 4 6.615 4.386 4.069 34 1HB ASN 4 HB2 ASN 4 8.132 4.604 6.037 35 2HB ASN 4 HB1 ASN 4 6.956 5.915 5.955 36 1HD2 ASN 4 HD21 ASN 4 8.383 4.390 8.304 37 2HD2 ASN 4 HD22 ASN 4 7.104 4.057 9.369 38 H ALA 5 HN ALA 5 4.643 2.171 4.627 39 HA ALA 5 HA ALA 5 6.077 0.079 6.057 40 1HB ALA 5 HB1 ALA 5 3.995 -0.793 5.941 41 2HB ALA 5 HB2 ALA 5 4.112 -0.890 4.184 42 3HB ALA 5 HB3 ALA 5 3.507 0.581 4.948 43 H LYS 6 HN LYS 6 8.081 -0.378 5.130 44 HA LYS 6 HA LYS 6 9.021 -0.284 2.561 45 1HB LYS 6 HB2 LYS 6 10.325 -2.387 3.241 46 2HB LYS 6 HB1 LYS 6 10.405 -1.026 4.361 47 1HG LYS 6 HG2 LYS 6 8.645 -2.033 5.746 48 2HG LYS 6 HG1 LYS 6 8.501 -3.375 4.609 49 1HD LYS 6 HD2 LYS 6 9.978 -4.363 6.057 50 2HD LYS 6 HD1 LYS 6 11.155 -3.485 5.082 51 1HE LYS 6 HE2 LYS 6 11.596 -3.059 7.460 52 2HE LYS 6 HE1 LYS 6 10.988 -1.569 6.711 53 1HZ LYS 6 HZ1 LYS 6 9.882 -2.770 8.871 54 2HZ LYS 6 HZ2 LYS 6 8.911 -3.355 7.605 55 3HZ LYS 6 HZ3 LYS 6 9.080 -1.681 7.849 56 H CYS 7 HN CYS 7 7.357 -0.687 0.982 57 HA CYS 7 HA CYS 7 5.936 -3.243 0.892 58 1HB CYS 7 HB2 CYS 7 5.135 -2.281 -1.272 59 2HB CYS 7 HB1 CYS 7 4.978 -1.139 0.063 60 H ARG 8 HN ARG 8 6.376 -4.978 -0.538 61 HA ARG 8 HA ARG 8 9.115 -4.962 -1.744 62 1HB ARG 8 HB2 ARG 8 7.222 -7.142 -0.821 63 2HB ARG 8 HB1 ARG 8 8.756 -7.466 -1.628 64 1HG ARG 8 HG2 ARG 8 9.527 -7.510 0.531 65 2HG ARG 8 HG1 ARG 8 9.623 -5.767 0.275 66 1HD ARG 8 HD2 ARG 8 8.112 -5.434 1.924 67 2HD ARG 8 HD1 ARG 8 6.935 -6.446 1.063 68 HE ARG 8 HE ARG 8 8.865 -8.176 2.221 69 1HH1 ARG 8 HH11 ARG 8 7.132 -5.607 3.596 70 2HH1 ARG 8 HH12 ARG 8 6.433 -6.548 4.870 71 1HH2 ARG 8 HH21 ARG 8 7.656 -9.563 3.672 72 2HH2 ARG 8 HH22 ARG 8 6.731 -8.788 4.915 73 H GLY 9 HN GLY 9 5.721 -5.153 -2.491 74 1HA GLY 9 HA2 GLY 9 6.261 -5.007 -5.337 75 2HA GLY 9 HA1 GLY 9 5.622 -6.584 -4.872 76 H SER 10 HN SER 10 4.301 -4.620 -6.548 77 HA SER 10 HA SER 10 2.370 -2.985 -5.412 78 1HB SER 10 HB2 SER 10 2.792 -4.506 -7.845 79 2HB SER 10 HB1 SER 10 1.077 -4.427 -7.449 80 HG SER 10 HG SER 10 2.090 -2.622 -8.703 81 HA PRO 11 HA PRO 11 -0.550 -6.833 -4.865 82 1HB PRO 11 HB2 PRO 11 1.161 -9.118 -4.495 83 2HB PRO 11 HB1 PRO 11 -0.043 -8.848 -5.758 84 1HG PRO 11 HG2 PRO 11 2.805 -8.830 -6.029 85 2HG PRO 11 HG1 PRO 11 1.597 -8.511 -7.278 86 1HD PRO 11 HD2 PRO 11 3.368 -6.630 -5.986 87 2HD PRO 11 HD1 PRO 11 2.187 -6.307 -7.277 88 H GLU 12 HN GLU 12 2.544 -6.356 -3.311 89 HA GLU 12 HA GLU 12 1.776 -7.556 -0.756 90 1HB GLU 12 HB2 GLU 12 4.111 -7.360 -1.598 91 2HB GLU 12 HB1 GLU 12 3.979 -5.603 -1.501 92 1HG GLU 12 HG2 GLU 12 4.650 -5.743 0.646 93 2HG GLU 12 HG1 GLU 12 3.124 -6.549 1.007 94 H CYS 13 HN CYS 13 1.917 -4.261 -2.114 95 HA CYS 13 HA CYS 13 1.215 -2.892 0.314 96 1HB CYS 13 HB2 CYS 13 2.248 -1.956 -1.801 97 2HB CYS 13 HB1 CYS 13 0.660 -2.088 -2.557 98 H LEU 14 HN LEU 14 -0.710 -4.425 -2.239 99 HA LEU 14 HA LEU 14 -3.246 -3.335 -1.789 100 1HB LEU 14 HB2 LEU 14 -2.049 -5.717 -2.908 101 2HB LEU 14 HB1 LEU 14 -3.556 -6.130 -2.092 102 HG LEU 14 HG LEU 14 -4.616 -4.171 -3.334 103 1HD1 LEU 14 HD11 LEU 14 -2.950 -4.127 -5.591 104 2HD1 LEU 14 HD12 LEU 14 -1.855 -3.961 -4.218 105 3HD1 LEU 14 HD13 LEU 14 -3.182 -2.818 -4.431 106 1HD2 LEU 14 HD21 LEU 14 -4.394 -6.791 -3.997 107 2HD2 LEU 14 HD22 LEU 14 -3.635 -6.060 -5.412 108 3HD2 LEU 14 HD23 LEU 14 -5.289 -5.628 -4.975 109 HA PRO 15 HA PRO 15 -3.988 -6.566 1.778 110 1HB PRO 15 HB2 PRO 15 -1.393 -7.395 2.694 111 2HB PRO 15 HB1 PRO 15 -2.665 -8.399 1.993 112 1HG PRO 15 HG2 PRO 15 -0.176 -7.577 0.789 113 2HG PRO 15 HG1 PRO 15 -1.412 -8.650 0.126 114 1HD PRO 15 HD2 PRO 15 -0.796 -5.992 -0.727 115 2HD PRO 15 HD1 PRO 15 -2.131 -7.025 -1.289 116 H LYS 16 HN LYS 16 -0.895 -4.779 1.818 117 HA LYS 16 HA LYS 16 -0.869 -3.984 4.541 118 1HB LYS 16 HB2 LYS 16 0.162 -2.868 1.938 119 2HB LYS 16 HB1 LYS 16 0.414 -1.980 3.442 120 1HG LYS 16 HG2 LYS 16 1.161 -4.893 3.097 121 2HG LYS 16 HG1 LYS 16 2.291 -3.568 2.817 122 1HD LYS 16 HD2 LYS 16 2.696 -3.421 5.024 123 2HD LYS 16 HD1 LYS 16 0.982 -3.132 5.331 124 1HE LYS 16 HE2 LYS 16 1.319 -5.113 6.534 125 2HE LYS 16 HE1 LYS 16 0.822 -5.769 4.962 126 1HZ LYS 16 HZ1 LYS 16 3.398 -5.368 4.508 127 2HZ LYS 16 HZ2 LYS 16 2.799 -6.831 5.131 128 3HZ LYS 16 HZ3 LYS 16 3.471 -5.671 6.176 129 H CYS 17 HN CYS 17 -2.308 -2.343 1.701 130 HA CYS 17 HA CYS 17 -3.344 -0.087 3.145 131 1HB CYS 17 HB2 CYS 17 -4.305 -1.445 0.605 132 2HB CYS 17 HB1 CYS 17 -4.673 0.210 1.088 133 H LYS 18 HN LYS 18 -4.841 -3.180 2.155 134 HA LYS 18 HA LYS 18 -7.450 -2.712 3.183 135 1HB LYS 18 HB2 LYS 18 -6.431 -4.593 1.705 136 2HB LYS 18 HB1 LYS 18 -6.023 -5.372 3.234 137 1HG LYS 18 HG2 LYS 18 -8.700 -4.520 3.497 138 2HG LYS 18 HG1 LYS 18 -8.579 -5.249 1.895 139 1HD LYS 18 HD2 LYS 18 -7.184 -7.079 3.282 140 2HD LYS 18 HD1 LYS 18 -8.232 -6.499 4.577 141 1HE LYS 18 HE2 LYS 18 -9.754 -6.882 2.128 142 2HE LYS 18 HE1 LYS 18 -8.928 -8.378 2.610 143 1HZ LYS 18 HZ1 LYS 18 -9.897 -8.351 4.694 144 2HZ LYS 18 HZ2 LYS 18 -11.171 -7.803 3.713 145 3HZ LYS 18 HZ3 LYS 18 -10.265 -6.696 4.629 146 H GLU 19 HN GLU 19 -4.445 -3.467 4.801 147 HA GLU 19 HA GLU 19 -5.878 -4.055 7.351 148 1HB GLU 19 HB2 GLU 19 -3.904 -5.390 6.200 149 2HB GLU 19 HB1 GLU 19 -2.902 -4.152 6.958 150 1HG GLU 19 HG2 GLU 19 -2.994 -5.402 8.837 151 2HG GLU 19 HG1 GLU 19 -4.679 -4.894 8.973 152 H ALA 20 HN ALA 20 -4.301 -1.512 5.698 153 HA ALA 20 HA ALA 20 -3.603 -0.097 8.236 154 1HB ALA 20 HB1 ALA 20 -1.779 0.110 6.845 155 2HB ALA 20 HB2 ALA 20 -2.702 1.484 6.235 156 3HB ALA 20 HB3 ALA 20 -2.751 -0.060 5.382 157 H ILE 21 HN ILE 21 -4.928 0.904 5.056 158 HA ILE 21 HA ILE 21 -6.512 3.018 6.362 159 HB ILE 21 HB ILE 21 -6.824 3.787 4.124 160 1HG1 ILE 21 HG12 ILE 21 -5.958 1.042 3.163 161 2HG1 ILE 21 HG11 ILE 21 -7.636 1.573 3.264 162 1HG2 ILE 21 HG21 ILE 21 -4.283 2.575 3.399 163 2HG2 ILE 21 HG22 ILE 21 -4.279 3.108 5.079 164 3HG2 ILE 21 HG23 ILE 21 -4.644 4.256 3.792 165 1HD1 ILE 21 HD11 ILE 21 -6.156 1.857 1.026 166 2HD1 ILE 21 HD12 ILE 21 -5.767 3.381 1.823 167 3HD1 ILE 21 HD13 ILE 21 -7.445 2.978 1.462 168 H GLY 22 HN GLY 22 -6.988 -0.218 5.167 169 1HA GLY 22 HA2 GLY 22 -8.950 -1.517 5.754 170 2HA GLY 22 HA1 GLY 22 -9.868 -0.016 5.883 171 H LYS 23 HN LYS 23 -7.782 -0.277 3.159 172 HA LYS 23 HA LYS 23 -9.971 -1.280 1.406 173 1HB LYS 23 HB2 LYS 23 -10.218 1.177 1.676 174 2HB LYS 23 HB1 LYS 23 -8.559 1.393 1.118 175 1HG LYS 23 HG2 LYS 23 -9.738 1.710 -0.866 176 2HG LYS 23 HG1 LYS 23 -9.390 -0.018 -0.952 177 1HD LYS 23 HD2 LYS 23 -11.589 -0.479 -0.975 178 2HD LYS 23 HD1 LYS 23 -11.794 0.354 0.567 179 1HE LYS 23 HE2 LYS 23 -12.909 2.009 -0.499 180 2HE LYS 23 HE1 LYS 23 -11.461 2.346 -1.467 181 1HZ LYS 23 HZ1 LYS 23 -13.427 0.189 -2.029 182 2HZ LYS 23 HZ2 LYS 23 -12.055 0.561 -2.960 183 3HZ LYS 23 HZ3 LYS 23 -13.343 1.665 -2.860 184 H ALA 24 HN ALA 24 -8.997 -2.804 0.137 185 HA ALA 24 HA ALA 24 -6.107 -2.930 -0.206 186 1HB ALA 24 HB1 ALA 24 -7.772 -4.842 -0.043 187 2HB ALA 24 HB2 ALA 24 -6.646 -4.962 -1.394 188 3HB ALA 24 HB3 ALA 24 -8.302 -4.423 -1.670 189 H ALA 25 HN ALA 25 -6.347 -0.534 -1.182 190 HA ALA 25 HA ALA 25 -6.365 -0.857 -4.159 191 1HB ALA 25 HB1 ALA 25 -7.384 1.647 -2.861 192 2HB ALA 25 HB2 ALA 25 -8.433 0.230 -2.887 193 3HB ALA 25 HB3 ALA 25 -7.848 0.921 -4.400 194 H GLY 26 HN GLY 26 -3.951 -0.951 -3.630 195 1HA GLY 26 HA2 GLY 26 -2.779 1.678 -4.016 196 2HA GLY 26 HA1 GLY 26 -2.433 1.029 -2.415 197 H LYS 27 HN LYS 27 -0.317 1.474 -4.097 198 HA LYS 27 HA LYS 27 0.519 -1.317 -4.815 199 1HB LYS 27 HB2 LYS 27 1.159 1.243 -6.318 200 2HB LYS 27 HB1 LYS 27 1.576 -0.397 -6.812 201 1HG LYS 27 HG2 LYS 27 -0.624 -0.939 -7.360 202 2HG LYS 27 HG1 LYS 27 -1.299 0.302 -6.303 203 1HD LYS 27 HD2 LYS 27 0.305 0.922 -8.797 204 2HD LYS 27 HD1 LYS 27 -1.457 0.846 -8.763 205 1HE LYS 27 HE2 LYS 27 -1.191 2.526 -6.732 206 2HE LYS 27 HE1 LYS 27 0.370 2.868 -7.502 207 1HZ LYS 27 HZ1 LYS 27 -1.711 2.621 -9.432 208 2HZ LYS 27 HZ2 LYS 27 -0.632 3.909 -9.176 209 3HZ LYS 27 HZ3 LYS 27 -2.085 3.827 -8.299 210 H CYS 28 HN CYS 28 3.107 -1.045 -5.312 211 HA CYS 28 HA CYS 28 4.227 0.133 -2.808 212 1HB CYS 28 HB2 CYS 28 4.678 -2.205 -3.135 213 2HB CYS 28 HB1 CYS 28 5.136 -1.946 -4.818 214 H MET 29 HN MET 29 5.991 1.621 -2.929 215 HA MET 29 HA MET 29 6.796 2.513 -5.668 216 1HB MET 29 HB2 MET 29 4.909 3.788 -4.137 217 2HB MET 29 HB1 MET 29 6.381 4.637 -3.662 218 1HG MET 29 HG2 MET 29 6.869 4.760 -6.212 219 2HG MET 29 HG1 MET 29 5.156 4.388 -6.403 220 1HE MET 29 HE1 MET 29 7.428 7.715 -6.181 221 2HE MET 29 HE2 MET 29 6.030 8.045 -7.201 222 3HE MET 29 HE3 MET 29 6.883 6.511 -7.356 223 H ASN 30 HN ASN 30 8.901 1.639 -5.329 224 HA ASN 30 HA ASN 30 11.156 1.748 -4.644 225 1HB ASN 30 HB2 ASN 30 9.915 4.384 -4.185 226 2HB ASN 30 HB1 ASN 30 11.383 4.101 -3.247 227 1HD2 ASN 30 HD21 ASN 30 13.283 3.157 -4.629 228 2HD2 ASN 30 HD22 ASN 30 13.457 3.780 -6.198 229 H GLY 31 HN GLY 31 8.701 1.121 -2.613 230 1HA GLY 31 HA2 GLY 31 9.428 -0.310 -0.651 231 2HA GLY 31 HA1 GLY 31 10.488 1.030 -0.214 232 H LYS 32 HN LYS 32 7.544 2.146 -1.483 233 HA LYS 32 HA LYS 32 6.483 2.519 1.299 234 1HB LYS 32 HB2 LYS 32 6.958 4.341 -1.009 235 2HB LYS 32 HB1 LYS 32 5.502 4.637 -0.059 236 1HG LYS 32 HG2 LYS 32 6.686 5.161 1.859 237 2HG LYS 32 HG1 LYS 32 8.067 4.163 1.406 238 1HD LYS 32 HD2 LYS 32 8.865 5.777 -0.143 239 2HD LYS 32 HD1 LYS 32 7.338 6.659 -0.131 240 1HE LYS 32 HE2 LYS 32 8.170 6.607 2.563 241 2HE LYS 32 HE1 LYS 32 9.625 6.990 1.620 242 1HZ LYS 32 HZ1 LYS 32 6.987 8.276 1.171 243 2HZ LYS 32 HZ2 LYS 32 8.474 8.710 0.476 244 3HZ LYS 32 HZ3 LYS 32 8.204 8.957 2.135 245 H CYS 33 HN CYS 33 4.145 2.554 1.480 246 HA CYS 33 HA CYS 33 2.804 0.911 -0.600 247 1HB CYS 33 HB2 CYS 33 2.892 0.866 2.141 248 2HB CYS 33 HB1 CYS 33 1.387 1.734 1.862 249 H LYS 34 HN LYS 34 1.609 1.996 -2.131 250 HA LYS 34 HA LYS 34 0.672 4.760 -1.544 251 1HB LYS 34 HB2 LYS 34 1.039 3.042 -4.002 252 2HB LYS 34 HB1 LYS 34 0.163 4.572 -4.077 253 1HG LYS 34 HG2 LYS 34 2.406 5.294 -2.674 254 2HG LYS 34 HG1 LYS 34 3.053 4.079 -3.776 255 1HD LYS 34 HD2 LYS 34 1.267 6.327 -4.722 256 2HD LYS 34 HD1 LYS 34 3.023 6.482 -4.653 257 1HE LYS 34 HE2 LYS 34 3.228 4.463 -6.114 258 2HE LYS 34 HE1 LYS 34 1.460 4.429 -6.259 259 1HZ LYS 34 HZ1 LYS 34 2.975 6.910 -6.770 260 2HZ LYS 34 HZ2 LYS 34 1.416 6.485 -7.299 261 3HZ LYS 34 HZ3 LYS 34 2.783 5.754 -7.996 262 H CYS 35 HN CYS 35 -1.049 3.840 -0.054 263 HA CYS 35 HA CYS 35 -3.202 2.248 -1.240 264 1HB CYS 35 HB2 CYS 35 -3.056 3.806 1.360 265 2HB CYS 35 HB1 CYS 35 -4.166 2.486 0.990 266 H TYR 36 HN TYR 36 -5.400 3.045 -1.512 267 HA TYR 36 HA TYR 36 -5.645 6.023 -1.762 268 1HB TYR 36 HB2 TYR 36 -5.841 3.852 -3.757 269 2HB TYR 36 HB1 TYR 36 -7.169 5.012 -3.814 270 HD1 TYR 36 HD1 TYR 36 -3.436 5.046 -3.366 271 HD2 TYR 36 HD2 TYR 36 -6.875 6.864 -5.187 272 HE1 TYR 36 HE1 TYR 36 -1.964 6.676 -4.520 273 HE2 TYR 36 HE2 TYR 36 -5.403 8.494 -6.340 274 HH TYR 36 HH TYR 36 -3.030 8.628 -7.071 275 HA PRO 37 HA PRO 37 -9.087 4.050 0.728 276 1HB PRO 37 HB2 PRO 37 -9.035 6.454 2.307 277 2HB PRO 37 HB1 PRO 37 -8.570 4.822 2.796 278 1HG PRO 37 HG2 PRO 37 -6.853 7.070 2.307 279 2HG PRO 37 HG1 PRO 37 -6.391 5.437 2.794 280 1HD PRO 37 HD2 PRO 37 -6.006 6.692 0.225 281 2HD PRO 37 HD1 PRO 37 -5.550 5.041 0.713 Start of MODEL 12 1 1H VAL 1 HT1 VAL 1 -4.235 5.753 3.850 2 2H VAL 1 HT2 VAL 1 -2.987 4.715 3.350 3 3H VAL 1 HT3 VAL 1 -4.081 5.342 2.211 4 HA VAL 1 HA VAL 1 -3.066 7.364 2.109 5 HB VAL 1 HB VAL 1 -1.841 8.169 4.224 6 1HG1 VAL 1 HG11 VAL 1 -3.831 9.022 5.085 7 2HG1 VAL 1 HG12 VAL 1 -4.700 7.505 4.852 8 3HG1 VAL 1 HG13 VAL 1 -4.343 8.538 3.468 9 1HG2 VAL 1 HG21 VAL 1 -1.654 5.759 5.084 10 2HG2 VAL 1 HG22 VAL 1 -3.363 5.887 5.502 11 3HG2 VAL 1 HG23 VAL 1 -2.187 6.963 6.256 12 H PHE 2 HN PHE 2 -0.483 8.037 2.923 13 HA PHE 2 HA PHE 2 1.112 5.941 1.543 14 1HB PHE 2 HB2 PHE 2 1.379 8.867 2.198 15 2HB PHE 2 HB1 PHE 2 2.805 7.942 1.738 16 HD1 PHE 2 HD1 PHE 2 -0.522 7.060 0.443 17 HD2 PHE 2 HD2 PHE 2 3.116 9.202 -0.342 18 HE1 PHE 2 HE1 PHE 2 -1.159 7.264 -1.942 19 HE2 PHE 2 HE2 PHE 2 2.480 9.406 -2.729 20 HZ PHE 2 HZ PHE 2 0.342 8.437 -3.531 21 H ILE 3 HN ILE 3 2.754 4.812 2.596 22 HA ILE 3 HA ILE 3 3.601 5.679 5.311 23 HB ILE 3 HB ILE 3 3.105 3.329 6.121 24 1HG1 ILE 3 HG12 ILE 3 1.636 3.223 3.466 25 2HG1 ILE 3 HG11 ILE 3 3.012 2.224 3.935 26 1HG2 ILE 3 HG21 ILE 3 1.595 5.335 6.474 27 2HG2 ILE 3 HG22 ILE 3 0.774 3.776 6.520 28 3HG2 ILE 3 HG23 ILE 3 0.663 4.788 5.081 29 1HD1 ILE 3 HD11 ILE 3 1.593 1.433 5.906 30 2HD1 ILE 3 HD12 ILE 3 1.073 0.879 4.316 31 3HD1 ILE 3 HD13 ILE 3 0.223 2.205 5.108 32 H ASN 4 HN ASN 4 5.700 4.927 5.825 33 HA ASN 4 HA ASN 4 7.270 3.890 3.554 34 1HB ASN 4 HB2 ASN 4 9.149 4.474 5.002 35 2HB ASN 4 HB1 ASN 4 7.966 5.782 5.040 36 1HD2 ASN 4 HD21 ASN 4 9.798 5.429 7.198 37 2HD2 ASN 4 HD22 ASN 4 8.930 4.932 8.570 38 H ALA 5 HN ALA 5 5.863 1.766 3.867 39 HA ALA 5 HA ALA 5 6.885 0.030 6.048 40 1HB ALA 5 HB1 ALA 5 4.479 0.126 5.501 41 2HB ALA 5 HB2 ALA 5 5.119 -1.488 5.187 42 3HB ALA 5 HB3 ALA 5 4.829 -0.376 3.848 43 H LYS 6 HN LYS 6 8.599 0.938 3.739 44 HA LYS 6 HA LYS 6 9.983 0.017 2.032 45 1HB LYS 6 HB2 LYS 6 11.305 -1.792 3.031 46 2HB LYS 6 HB1 LYS 6 10.957 -0.549 4.230 47 1HG LYS 6 HG2 LYS 6 9.293 -1.869 5.281 48 2HG LYS 6 HG1 LYS 6 9.190 -2.974 3.910 49 1HD LYS 6 HD2 LYS 6 10.571 -4.278 5.172 50 2HD LYS 6 HD1 LYS 6 11.829 -3.209 4.552 51 1HE LYS 6 HE2 LYS 6 10.761 -1.803 6.724 52 2HE LYS 6 HE1 LYS 6 10.859 -3.485 7.284 53 1HZ LYS 6 HZ1 LYS 6 13.101 -3.596 6.874 54 2HZ LYS 6 HZ2 LYS 6 12.964 -1.975 7.365 55 3HZ LYS 6 HZ3 LYS 6 13.073 -2.360 5.713 56 H CYS 7 HN CYS 7 7.391 -0.548 1.301 57 HA CYS 7 HA CYS 7 6.580 -3.226 0.994 58 1HB CYS 7 HB2 CYS 7 5.276 -2.347 -0.874 59 2HB CYS 7 HB1 CYS 7 5.337 -1.126 0.397 60 H ARG 8 HN ARG 8 7.235 -4.895 -0.364 61 HA ARG 8 HA ARG 8 9.580 -4.329 -2.148 62 1HB ARG 8 HB2 ARG 8 8.692 -6.646 -0.437 63 2HB ARG 8 HB1 ARG 8 9.823 -6.908 -1.766 64 1HG ARG 8 HG2 ARG 8 10.251 -4.808 0.373 65 2HG ARG 8 HG1 ARG 8 10.910 -6.442 0.479 66 1HD ARG 8 HD2 ARG 8 11.406 -5.022 -2.087 67 2HD ARG 8 HD1 ARG 8 12.274 -4.402 -0.668 68 HE ARG 8 HE ARG 8 13.490 -6.429 -0.590 69 1HH1 ARG 8 HH11 ARG 8 13.097 -6.728 -3.530 70 2HH1 ARG 8 HH12 ARG 8 12.403 -8.310 -3.654 71 1HH2 ARG 8 HH21 ARG 8 11.534 -8.479 -0.302 72 2HH2 ARG 8 HH22 ARG 8 11.519 -9.301 -1.826 73 H GLY 9 HN GLY 9 6.276 -5.178 -2.152 74 1HA GLY 9 HA2 GLY 9 6.411 -5.759 -5.033 75 2HA GLY 9 HA1 GLY 9 5.788 -7.073 -4.036 76 H SER 10 HN SER 10 4.429 -5.360 -6.078 77 HA SER 10 HA SER 10 2.646 -3.498 -4.876 78 1HB SER 10 HB2 SER 10 3.235 -4.227 -7.363 79 2HB SER 10 HB1 SER 10 1.807 -5.238 -7.161 80 HG SER 10 HG SER 10 2.056 -2.430 -7.034 81 HA PRO 11 HA PRO 11 -0.439 -7.261 -4.564 82 1HB PRO 11 HB2 PRO 11 1.178 -9.560 -3.944 83 2HB PRO 11 HB1 PRO 11 0.102 -9.321 -5.324 84 1HG PRO 11 HG2 PRO 11 2.964 -9.367 -5.327 85 2HG PRO 11 HG1 PRO 11 1.886 -9.086 -6.697 86 1HD PRO 11 HD2 PRO 11 3.568 -7.180 -5.332 87 2HD PRO 11 HD1 PRO 11 2.514 -6.895 -6.738 88 H GLU 12 HN GLU 12 2.527 -6.810 -2.781 89 HA GLU 12 HA GLU 12 1.504 -7.829 -0.235 90 1HB GLU 12 HB2 GLU 12 3.925 -7.674 -1.066 91 2HB GLU 12 HB1 GLU 12 3.817 -5.942 -0.756 92 1HG GLU 12 HG2 GLU 12 3.838 -6.210 1.515 93 2HG GLU 12 HG1 GLU 12 2.909 -7.708 1.447 94 H CYS 13 HN CYS 13 1.752 -4.701 -1.872 95 HA CYS 13 HA CYS 13 0.995 -3.076 0.398 96 1HB CYS 13 HB2 CYS 13 1.512 -2.840 -2.485 97 2HB CYS 13 HB1 CYS 13 0.285 -1.713 -1.907 98 H LEU 14 HN LEU 14 -0.794 -4.927 -2.002 99 HA LEU 14 HA LEU 14 -3.328 -3.664 -1.852 100 1HB LEU 14 HB2 LEU 14 -2.142 -6.158 -2.737 101 2HB LEU 14 HB1 LEU 14 -3.731 -6.448 -2.030 102 HG LEU 14 HG LEU 14 -4.045 -5.989 -4.381 103 1HD1 LEU 14 HD11 LEU 14 -5.869 -4.803 -3.812 104 2HD1 LEU 14 HD12 LEU 14 -4.888 -3.340 -3.727 105 3HD1 LEU 14 HD13 LEU 14 -5.102 -4.343 -2.292 106 1HD2 LEU 14 HD21 LEU 14 -2.742 -3.291 -4.033 107 2HD2 LEU 14 HD22 LEU 14 -3.076 -4.169 -5.525 108 3HD2 LEU 14 HD23 LEU 14 -1.779 -4.706 -4.457 109 HA PRO 15 HA PRO 15 -4.377 -6.669 1.824 110 1HB PRO 15 HB2 PRO 15 -1.871 -7.508 2.960 111 2HB PRO 15 HB1 PRO 15 -3.121 -8.518 2.226 112 1HG PRO 15 HG2 PRO 15 -0.535 -7.844 1.160 113 2HG PRO 15 HG1 PRO 15 -1.768 -8.891 0.453 114 1HD PRO 15 HD2 PRO 15 -0.982 -6.280 -0.436 115 2HD PRO 15 HD1 PRO 15 -2.283 -7.305 -1.086 116 H LYS 16 HN LYS 16 -1.235 -4.972 1.998 117 HA LYS 16 HA LYS 16 -1.474 -4.000 4.676 118 1HB LYS 16 HB2 LYS 16 -0.047 -3.058 2.177 119 2HB LYS 16 HB1 LYS 16 0.182 -2.279 3.743 120 1HG LYS 16 HG2 LYS 16 0.728 -5.185 3.074 121 2HG LYS 16 HG1 LYS 16 1.928 -3.946 3.443 122 1HD LYS 16 HD2 LYS 16 0.277 -3.773 5.626 123 2HD LYS 16 HD1 LYS 16 0.212 -5.500 5.268 124 1HE LYS 16 HE2 LYS 16 2.875 -5.107 5.000 125 2HE LYS 16 HE1 LYS 16 2.509 -3.856 6.205 126 1HZ LYS 16 HZ1 LYS 16 2.919 -6.248 7.022 127 2HZ LYS 16 HZ2 LYS 16 1.351 -6.559 6.447 128 3HZ LYS 16 HZ3 LYS 16 1.598 -5.392 7.656 129 H CYS 17 HN CYS 17 -2.236 -2.381 1.563 130 HA CYS 17 HA CYS 17 -3.236 0.051 2.590 131 1HB CYS 17 HB2 CYS 17 -3.933 -1.646 0.180 132 2HB CYS 17 HB1 CYS 17 -4.595 -0.028 0.415 133 H LYS 18 HN LYS 18 -4.837 -3.095 2.217 134 HA LYS 18 HA LYS 18 -7.498 -2.218 2.882 135 1HB LYS 18 HB2 LYS 18 -6.606 -4.391 1.787 136 2HB LYS 18 HB1 LYS 18 -6.300 -4.938 3.437 137 1HG LYS 18 HG2 LYS 18 -8.992 -3.916 2.498 138 2HG LYS 18 HG1 LYS 18 -8.551 -5.624 2.500 139 1HD LYS 18 HD2 LYS 18 -7.837 -4.963 5.027 140 2HD LYS 18 HD1 LYS 18 -9.163 -3.824 4.781 141 1HE LYS 18 HE2 LYS 18 -10.535 -5.826 3.936 142 2HE LYS 18 HE1 LYS 18 -9.254 -6.849 4.617 143 1HZ LYS 18 HZ1 LYS 18 -9.960 -6.429 6.672 144 2HZ LYS 18 HZ2 LYS 18 -11.332 -5.682 6.005 145 3HZ LYS 18 HZ3 LYS 18 -9.967 -4.753 6.409 146 H GLU 19 HN GLU 19 -4.966 -3.822 4.847 147 HA GLU 19 HA GLU 19 -6.425 -3.546 7.339 148 1HB GLU 19 HB2 GLU 19 -4.846 -5.294 7.205 149 2HB GLU 19 HB1 GLU 19 -3.628 -4.258 6.462 150 1HG GLU 19 HG2 GLU 19 -3.109 -4.773 8.846 151 2HG GLU 19 HG1 GLU 19 -3.326 -3.045 8.564 152 H ALA 20 HN ALA 20 -4.868 -1.283 5.398 153 HA ALA 20 HA ALA 20 -3.736 0.370 7.554 154 1HB ALA 20 HB1 ALA 20 -3.093 1.792 5.692 155 2HB ALA 20 HB2 ALA 20 -4.239 0.981 4.625 156 3HB ALA 20 HB3 ALA 20 -2.818 0.117 5.213 157 H ILE 21 HN ILE 21 -6.302 0.861 5.091 158 HA ILE 21 HA ILE 21 -7.637 2.739 7.015 159 HB ILE 21 HB ILE 21 -8.447 3.882 4.994 160 1HG1 ILE 21 HG12 ILE 21 -6.961 1.660 3.555 161 2HG1 ILE 21 HG11 ILE 21 -8.697 1.967 3.511 162 1HG2 ILE 21 HG21 ILE 21 -6.500 5.016 4.817 163 2HG2 ILE 21 HG22 ILE 21 -5.655 3.614 4.163 164 3HG2 ILE 21 HG23 ILE 21 -5.823 3.807 5.908 165 1HD1 ILE 21 HD11 ILE 21 -8.012 3.004 1.541 166 2HD1 ILE 21 HD12 ILE 21 -6.468 3.511 2.227 167 3HD1 ILE 21 HD13 ILE 21 -7.950 4.355 2.674 168 H GLY 22 HN GLY 22 -8.097 0.066 4.734 169 1HA GLY 22 HA2 GLY 22 -9.898 -1.547 5.590 170 2HA GLY 22 HA1 GLY 22 -10.938 -0.125 5.658 171 H LYS 23 HN LYS 23 -8.722 -0.191 3.019 172 HA LYS 23 HA LYS 23 -10.739 -1.419 1.201 173 1HB LYS 23 HB2 LYS 23 -11.121 1.068 1.492 174 2HB LYS 23 HB1 LYS 23 -9.523 1.330 0.792 175 1HG LYS 23 HG2 LYS 23 -11.081 1.528 -1.017 176 2HG LYS 23 HG1 LYS 23 -10.308 -0.047 -1.205 177 1HD LYS 23 HD2 LYS 23 -12.321 -0.889 0.267 178 2HD LYS 23 HD1 LYS 23 -13.093 0.596 -0.285 179 1HE LYS 23 HE2 LYS 23 -12.549 -0.081 -2.657 180 2HE LYS 23 HE1 LYS 23 -12.005 -1.647 -2.019 181 1HZ LYS 23 HZ1 LYS 23 -14.100 -2.157 -1.229 182 2HZ LYS 23 HZ2 LYS 23 -14.470 -1.374 -2.690 183 3HZ LYS 23 HZ3 LYS 23 -14.616 -0.542 -1.215 184 H ALA 24 HN ALA 24 -9.649 -2.773 -0.169 185 HA ALA 24 HA ALA 24 -6.753 -2.843 -0.272 186 1HB ALA 24 HB1 ALA 24 -8.895 -4.526 -0.795 187 2HB ALA 24 HB2 ALA 24 -7.206 -4.892 -1.147 188 3HB ALA 24 HB3 ALA 24 -8.241 -4.210 -2.402 189 H ALA 25 HN ALA 25 -6.377 -0.572 -1.042 190 HA ALA 25 HA ALA 25 -6.390 -0.475 -4.019 191 1HB ALA 25 HB1 ALA 25 -7.347 1.843 -2.332 192 2HB ALA 25 HB2 ALA 25 -8.459 0.608 -2.921 193 3HB ALA 25 HB3 ALA 25 -7.555 1.600 -4.066 194 H GLY 26 HN GLY 26 -4.288 -0.031 -4.548 195 1HA GLY 26 HA2 GLY 26 -2.784 2.168 -4.151 196 2HA GLY 26 HA1 GLY 26 -2.547 1.352 -2.604 197 H LYS 27 HN LYS 27 -0.265 1.631 -3.888 198 HA LYS 27 HA LYS 27 0.354 -1.116 -4.842 199 1HB LYS 27 HB2 LYS 27 0.789 1.474 -6.356 200 2HB LYS 27 HB1 LYS 27 1.600 -0.035 -6.782 201 1HG LYS 27 HG2 LYS 27 -0.256 -0.249 -8.128 202 2HG LYS 27 HG1 LYS 27 -0.911 -0.962 -6.655 203 1HD LYS 27 HD2 LYS 27 -2.519 0.613 -6.687 204 2HD LYS 27 HD1 LYS 27 -1.269 1.815 -6.363 205 1HE LYS 27 HE2 LYS 27 -1.157 1.126 -9.151 206 2HE LYS 27 HE1 LYS 27 -2.827 1.553 -8.729 207 1HZ LYS 27 HZ1 LYS 27 -1.570 3.548 -9.209 208 2HZ LYS 27 HZ2 LYS 27 -0.393 3.124 -8.060 209 3HZ LYS 27 HZ3 LYS 27 -1.970 3.510 -7.561 210 H CYS 28 HN CYS 28 2.979 -0.825 -5.491 211 HA CYS 28 HA CYS 28 4.191 0.421 -3.043 212 1HB CYS 28 HB2 CYS 28 4.304 -1.952 -2.867 213 2HB CYS 28 HB1 CYS 28 4.715 -2.136 -4.571 214 H MET 29 HN MET 29 5.795 1.909 -3.435 215 HA MET 29 HA MET 29 7.286 1.837 -6.005 216 1HB MET 29 HB2 MET 29 5.303 3.172 -6.473 217 2HB MET 29 HB1 MET 29 5.557 4.125 -5.011 218 1HG MET 29 HG2 MET 29 6.568 5.544 -6.511 219 2HG MET 29 HG1 MET 29 7.953 4.507 -6.167 220 1HE MET 29 HE1 MET 29 9.122 4.941 -9.010 221 2HE MET 29 HE2 MET 29 8.144 6.146 -8.174 222 3HE MET 29 HE3 MET 29 7.772 5.725 -9.844 223 H ASN 30 HN ASN 30 9.355 2.765 -5.785 224 HA ASN 30 HA ASN 30 11.272 3.478 -4.592 225 1HB ASN 30 HB2 ASN 30 9.180 5.365 -4.520 226 2HB ASN 30 HB1 ASN 30 9.841 5.337 -2.884 227 1HD2 ASN 30 HD21 ASN 30 11.529 6.800 -2.634 228 2HD2 ASN 30 HD22 ASN 30 12.628 7.245 -3.849 229 H GLY 31 HN GLY 31 9.627 1.257 -3.428 230 1HA GLY 31 HA2 GLY 31 9.772 -0.059 -1.483 231 2HA GLY 31 HA1 GLY 31 10.948 1.099 -0.862 232 H LYS 32 HN LYS 32 7.833 2.228 -1.930 233 HA LYS 32 HA LYS 32 6.996 2.552 0.935 234 1HB LYS 32 HB2 LYS 32 7.243 4.470 -1.354 235 2HB LYS 32 HB1 LYS 32 5.957 4.737 -0.177 236 1HG LYS 32 HG2 LYS 32 7.939 4.312 1.551 237 2HG LYS 32 HG1 LYS 32 8.919 4.863 0.193 238 1HD LYS 32 HD2 LYS 32 8.185 7.003 0.378 239 2HD LYS 32 HD1 LYS 32 6.520 6.500 0.667 240 1HE LYS 32 HE2 LYS 32 6.761 6.646 2.927 241 2HE LYS 32 HE1 LYS 32 8.349 5.855 2.891 242 1HZ LYS 32 HZ1 LYS 32 8.462 8.239 3.504 243 2HZ LYS 32 HZ2 LYS 32 7.843 8.635 1.972 244 3HZ LYS 32 HZ3 LYS 32 9.352 7.865 2.108 245 H CYS 33 HN CYS 33 4.666 2.602 1.249 246 HA CYS 33 HA CYS 33 3.171 1.176 -0.914 247 1HB CYS 33 HB2 CYS 33 3.567 0.399 1.570 248 2HB CYS 33 HB1 CYS 33 2.265 1.530 1.931 249 H LYS 34 HN LYS 34 1.717 2.388 -2.051 250 HA LYS 34 HA LYS 34 0.686 4.916 -0.814 251 1HB LYS 34 HB2 LYS 34 1.025 3.965 -3.677 252 2HB LYS 34 HB1 LYS 34 0.284 5.504 -3.236 253 1HG LYS 34 HG2 LYS 34 2.287 6.399 -2.448 254 2HG LYS 34 HG1 LYS 34 2.990 4.812 -2.137 255 1HD LYS 34 HD2 LYS 34 3.964 6.000 -4.140 256 2HD LYS 34 HD1 LYS 34 3.298 4.405 -4.496 257 1HE LYS 34 HE2 LYS 34 1.295 6.545 -4.712 258 2HE LYS 34 HE1 LYS 34 2.639 6.721 -5.859 259 1HZ LYS 34 HZ1 LYS 34 2.353 4.196 -6.156 260 2HZ LYS 34 HZ2 LYS 34 1.251 5.230 -6.933 261 3HZ LYS 34 HZ3 LYS 34 0.808 4.436 -5.498 262 H CYS 35 HN CYS 35 -1.268 4.360 0.158 263 HA CYS 35 HA CYS 35 -3.139 2.580 -1.341 264 1HB CYS 35 HB2 CYS 35 -3.219 3.582 1.521 265 2HB CYS 35 HB1 CYS 35 -4.166 2.260 0.838 266 H TYR 36 HN TYR 36 -5.324 3.271 -1.684 267 HA TYR 36 HA TYR 36 -5.797 6.214 -1.327 268 1HB TYR 36 HB2 TYR 36 -6.167 4.333 -3.646 269 2HB TYR 36 HB1 TYR 36 -7.180 5.771 -3.522 270 HD1 TYR 36 HD1 TYR 36 -3.908 4.482 -4.365 271 HD2 TYR 36 HD2 TYR 36 -6.064 8.044 -3.305 272 HE1 TYR 36 HE1 TYR 36 -2.050 5.870 -5.247 273 HE2 TYR 36 HE2 TYR 36 -4.207 9.430 -4.188 274 HH TYR 36 HH TYR 36 -1.578 8.042 -6.000 275 HA PRO 37 HA PRO 37 -9.567 5.234 0.706 276 1HB PRO 37 HB2 PRO 37 -11.161 7.086 -0.811 277 2HB PRO 37 HB1 PRO 37 -10.469 7.312 0.799 278 1HG PRO 37 HG2 PRO 37 -9.653 8.552 -1.658 279 2HG PRO 37 HG1 PRO 37 -8.966 8.777 -0.046 280 1HD PRO 37 HD2 PRO 37 -7.796 7.387 -2.287 281 2HD PRO 37 HD1 PRO 37 -7.111 7.599 -0.657 Start of MODEL 13 1 1H VAL 1 HT1 VAL 1 -2.923 10.929 1.486 2 2H VAL 1 HT2 VAL 1 -3.192 9.719 0.325 3 3H VAL 1 HT3 VAL 1 -1.607 10.118 0.788 4 HA VAL 1 HA VAL 1 -2.422 9.438 3.155 5 HB VAL 1 HB VAL 1 -4.353 8.182 1.182 6 1HG1 VAL 1 HG11 VAL 1 -3.587 7.441 3.992 7 2HG1 VAL 1 HG12 VAL 1 -3.919 6.389 2.616 8 3HG1 VAL 1 HG13 VAL 1 -5.247 7.197 3.451 9 1HG2 VAL 1 HG21 VAL 1 -5.666 9.896 1.829 10 2HG2 VAL 1 HG22 VAL 1 -4.438 10.454 2.964 11 3HG2 VAL 1 HG23 VAL 1 -5.626 9.254 3.471 12 H PHE 2 HN PHE 2 -0.101 8.948 2.415 13 HA PHE 2 HA PHE 2 0.152 6.207 1.231 14 1HB PHE 2 HB2 PHE 2 1.899 8.659 1.424 15 2HB PHE 2 HB1 PHE 2 2.605 7.088 1.059 16 HD1 PHE 2 HD1 PHE 2 3.216 8.550 -1.078 17 HD2 PHE 2 HD2 PHE 2 -0.730 7.142 -0.120 18 HE1 PHE 2 HE1 PHE 2 2.546 8.804 -3.450 19 HE2 PHE 2 HE2 PHE 2 -1.397 7.397 -2.492 20 HZ PHE 2 HZ PHE 2 0.240 8.228 -4.158 21 H ILE 3 HN ILE 3 1.456 4.652 2.324 22 HA ILE 3 HA ILE 3 2.249 5.356 5.131 23 HB ILE 3 HB ILE 3 1.296 3.280 5.860 24 1HG1 ILE 3 HG12 ILE 3 0.875 2.651 2.919 25 2HG1 ILE 3 HG11 ILE 3 2.087 1.906 3.962 26 1HG2 ILE 3 HG21 ILE 3 -0.626 4.327 3.767 27 2HG2 ILE 3 HG22 ILE 3 -0.295 5.175 5.278 28 3HG2 ILE 3 HG23 ILE 3 -1.023 3.570 5.311 29 1HD1 ILE 3 HD11 ILE 3 -0.900 1.587 4.012 30 2HD1 ILE 3 HD12 ILE 3 0.031 1.337 5.490 31 3HD1 ILE 3 HD13 ILE 3 0.350 0.346 4.066 32 H ASN 4 HN ASN 4 4.311 4.667 5.673 33 HA ASN 4 HA ASN 4 5.932 3.398 3.555 34 1HB ASN 4 HB2 ASN 4 7.763 3.934 5.202 35 2HB ASN 4 HB1 ASN 4 6.796 5.333 4.739 36 1HD2 ASN 4 HD21 ASN 4 7.901 3.498 7.421 37 2HD2 ASN 4 HD22 ASN 4 6.916 4.211 8.604 38 H ALA 5 HN ALA 5 4.401 1.371 4.044 39 HA ALA 5 HA ALA 5 5.141 -0.181 6.422 40 1HB ALA 5 HB1 ALA 5 3.824 -1.508 4.137 41 2HB ALA 5 HB2 ALA 5 3.002 -0.051 4.697 42 3HB ALA 5 HB3 ALA 5 3.297 -1.385 5.814 43 H LYS 6 HN LYS 6 6.768 0.529 3.631 44 HA LYS 6 HA LYS 6 8.717 -0.423 2.685 45 1HB LYS 6 HB2 LYS 6 8.885 -1.049 5.213 46 2HB LYS 6 HB1 LYS 6 8.408 -2.661 4.677 47 1HG LYS 6 HG2 LYS 6 10.473 -1.591 2.951 48 2HG LYS 6 HG1 LYS 6 11.002 -1.573 4.633 49 1HD LYS 6 HD2 LYS 6 9.624 -4.024 3.607 50 2HD LYS 6 HD1 LYS 6 11.304 -3.750 3.143 51 1HE LYS 6 HE2 LYS 6 10.840 -3.257 5.998 52 2HE LYS 6 HE1 LYS 6 10.490 -4.930 5.517 53 1HZ LYS 6 HZ1 LYS 6 12.598 -5.161 4.543 54 2HZ LYS 6 HZ2 LYS 6 12.898 -4.399 6.032 55 3HZ LYS 6 HZ3 LYS 6 12.909 -3.494 4.593 56 H CYS 7 HN CYS 7 6.400 -0.937 1.330 57 HA CYS 7 HA CYS 7 5.584 -3.617 0.954 58 1HB CYS 7 HB2 CYS 7 4.775 -2.793 -1.198 59 2HB CYS 7 HB1 CYS 7 4.561 -1.530 0.013 60 H ARG 8 HN ARG 8 6.127 -4.254 -1.732 61 HA ARG 8 HA ARG 8 9.103 -4.486 -1.872 62 1HB ARG 8 HB2 ARG 8 7.176 -6.805 -2.180 63 2HB ARG 8 HB1 ARG 8 8.935 -6.883 -2.064 64 1HG ARG 8 HG2 ARG 8 8.794 -5.922 0.232 65 2HG ARG 8 HG1 ARG 8 7.035 -5.967 0.114 66 1HD ARG 8 HD2 ARG 8 7.094 -8.416 -0.167 67 2HD ARG 8 HD1 ARG 8 8.866 -8.386 -0.082 68 HE ARG 8 HE ARG 8 8.535 -7.301 2.219 69 1HH1 ARG 8 HH11 ARG 8 7.801 -10.312 1.922 70 2HH1 ARG 8 HH12 ARG 8 6.356 -10.364 2.878 71 1HH2 ARG 8 HH21 ARG 8 5.962 -6.919 2.948 72 2HH2 ARG 8 HH22 ARG 8 5.317 -8.443 3.460 73 H GLY 9 HN GLY 9 5.960 -4.809 -3.494 74 1HA GLY 9 HA2 GLY 9 7.155 -3.878 -5.998 75 2HA GLY 9 HA1 GLY 9 6.595 -5.550 -6.060 76 H SER 10 HN SER 10 4.315 -5.277 -4.375 77 HA SER 10 HA SER 10 2.545 -3.166 -4.906 78 1HB SER 10 HB2 SER 10 3.162 -4.871 -7.214 79 2HB SER 10 HB1 SER 10 1.433 -4.720 -6.913 80 HG SER 10 HG SER 10 3.310 -2.812 -7.663 81 HA PRO 11 HA PRO 11 -0.071 -7.203 -4.233 82 1HB PRO 11 HB2 PRO 11 1.797 -9.350 -3.800 83 2HB PRO 11 HB1 PRO 11 0.586 -9.201 -5.077 84 1HG PRO 11 HG2 PRO 11 3.432 -8.979 -5.327 85 2HG PRO 11 HG1 PRO 11 2.215 -8.804 -6.594 86 1HD PRO 11 HD2 PRO 11 3.824 -6.740 -5.383 87 2HD PRO 11 HD1 PRO 11 2.609 -6.565 -6.670 88 H GLU 12 HN GLU 12 2.829 -6.186 -2.722 89 HA GLU 12 HA GLU 12 2.201 -7.416 -0.100 90 1HB GLU 12 HB2 GLU 12 4.493 -6.624 -1.487 91 2HB GLU 12 HB1 GLU 12 4.320 -5.407 -0.222 92 1HG GLU 12 HG2 GLU 12 5.594 -7.140 0.784 93 2HG GLU 12 HG1 GLU 12 3.954 -7.378 1.389 94 H CYS 13 HN CYS 13 2.535 -4.146 -1.518 95 HA CYS 13 HA CYS 13 1.670 -2.717 0.827 96 1HB CYS 13 HB2 CYS 13 2.862 -1.460 -0.737 97 2HB CYS 13 HB1 CYS 13 2.056 -2.212 -2.108 98 H LEU 14 HN LEU 14 -0.046 -4.578 -1.527 99 HA LEU 14 HA LEU 14 -2.577 -3.172 -1.394 100 1HB LEU 14 HB2 LEU 14 -1.395 -5.558 -2.597 101 2HB LEU 14 HB1 LEU 14 -3.062 -5.827 -2.089 102 HG LEU 14 HG LEU 14 -2.300 -3.351 -3.628 103 1HD1 LEU 14 HD11 LEU 14 -2.080 -6.023 -4.587 104 2HD1 LEU 14 HD12 LEU 14 -1.965 -4.527 -5.515 105 3HD1 LEU 14 HD13 LEU 14 -3.526 -5.323 -5.314 106 1HD2 LEU 14 HD21 LEU 14 -4.497 -2.965 -3.274 107 2HD2 LEU 14 HD22 LEU 14 -4.710 -4.566 -2.563 108 3HD2 LEU 14 HD23 LEU 14 -4.845 -4.350 -4.309 109 HA PRO 15 HA PRO 15 -3.815 -6.756 1.651 110 1HB PRO 15 HB2 PRO 15 -1.369 -7.797 2.751 111 2HB PRO 15 HB1 PRO 15 -2.585 -8.655 1.801 112 1HG PRO 15 HG2 PRO 15 0.050 -7.834 0.984 113 2HG PRO 15 HG1 PRO 15 -1.149 -8.738 0.056 114 1HD PRO 15 HD2 PRO 15 -0.321 -6.023 -0.354 115 2HD PRO 15 HD1 PRO 15 -1.598 -6.910 -1.216 116 H LYS 16 HN LYS 16 -0.638 -5.267 2.399 117 HA LYS 16 HA LYS 16 -1.131 -4.737 5.157 118 1HB LYS 16 HB2 LYS 16 0.516 -3.138 3.170 119 2HB LYS 16 HB1 LYS 16 0.782 -3.250 4.911 120 1HG LYS 16 HG2 LYS 16 0.660 -5.871 3.598 121 2HG LYS 16 HG1 LYS 16 1.980 -4.863 3.006 122 1HD LYS 16 HD2 LYS 16 1.414 -5.560 5.902 123 2HD LYS 16 HD1 LYS 16 2.750 -6.165 4.924 124 1HE LYS 16 HE2 LYS 16 3.968 -4.379 5.605 125 2HE LYS 16 HE1 LYS 16 2.836 -3.331 4.726 126 1HZ LYS 16 HZ1 LYS 16 1.580 -2.961 6.577 127 2HZ LYS 16 HZ2 LYS 16 3.095 -3.151 7.322 128 3HZ LYS 16 HZ3 LYS 16 1.988 -4.440 7.301 129 H CYS 17 HN CYS 17 -1.853 -2.832 2.233 130 HA CYS 17 HA CYS 17 -2.737 -0.449 3.569 131 1HB CYS 17 HB2 CYS 17 -2.128 -0.787 1.134 132 2HB CYS 17 HB1 CYS 17 -3.674 -1.612 0.929 133 H LYS 18 HN LYS 18 -4.520 -3.315 2.380 134 HA LYS 18 HA LYS 18 -7.151 -2.505 3.009 135 1HB LYS 18 HB2 LYS 18 -6.419 -4.543 1.756 136 2HB LYS 18 HB1 LYS 18 -5.881 -5.252 3.278 137 1HG LYS 18 HG2 LYS 18 -8.098 -5.353 4.137 138 2HG LYS 18 HG1 LYS 18 -8.715 -4.278 2.881 139 1HD LYS 18 HD2 LYS 18 -9.356 -6.548 2.318 140 2HD LYS 18 HD1 LYS 18 -8.115 -6.024 1.180 141 1HE LYS 18 HE2 LYS 18 -7.411 -8.200 1.844 142 2HE LYS 18 HE1 LYS 18 -6.433 -7.114 2.850 143 1HZ LYS 18 HZ1 LYS 18 -8.530 -8.912 3.630 144 2HZ LYS 18 HZ2 LYS 18 -8.778 -7.336 4.216 145 3HZ LYS 18 HZ3 LYS 18 -7.342 -8.167 4.582 146 H GLU 19 HN GLU 19 -4.697 -4.055 5.082 147 HA GLU 19 HA GLU 19 -6.442 -4.160 7.418 148 1HB GLU 19 HB2 GLU 19 -3.835 -5.052 6.540 149 2HB GLU 19 HB1 GLU 19 -3.708 -4.320 8.140 150 1HG GLU 19 HG2 GLU 19 -5.836 -5.747 8.677 151 2HG GLU 19 HG1 GLU 19 -5.336 -6.695 7.276 152 H ALA 20 HN ALA 20 -4.466 -1.748 5.935 153 HA ALA 20 HA ALA 20 -4.249 -0.167 8.452 154 1HB ALA 20 HB1 ALA 20 -2.985 1.294 6.591 155 2HB ALA 20 HB2 ALA 20 -2.952 -0.263 5.763 156 3HB ALA 20 HB3 ALA 20 -2.214 -0.094 7.356 157 H ILE 21 HN ILE 21 -5.250 0.376 5.043 158 HA ILE 21 HA ILE 21 -6.787 2.757 5.845 159 HB ILE 21 HB ILE 21 -5.322 2.202 3.700 160 1HG1 ILE 21 HG12 ILE 21 -7.846 3.585 2.963 161 2HG1 ILE 21 HG11 ILE 21 -7.010 4.201 4.390 162 1HG2 ILE 21 HG21 ILE 21 -6.527 1.343 1.840 163 2HG2 ILE 21 HG22 ILE 21 -8.069 1.450 2.689 164 3HG2 ILE 21 HG23 ILE 21 -6.883 0.234 3.165 165 1HD1 ILE 21 HD11 ILE 21 -5.844 5.399 2.823 166 2HD1 ILE 21 HD12 ILE 21 -6.165 4.232 1.541 167 3HD1 ILE 21 HD13 ILE 21 -4.900 3.914 2.726 168 H GLY 22 HN GLY 22 -7.372 -0.619 5.379 169 1HA GLY 22 HA2 GLY 22 -9.517 -1.495 6.269 170 2HA GLY 22 HA1 GLY 22 -10.311 -0.093 5.553 171 H LYS 23 HN LYS 23 -8.808 -0.241 3.043 172 HA LYS 23 HA LYS 23 -9.788 -2.837 1.917 173 1HB LYS 23 HB2 LYS 23 -11.346 -0.758 1.743 174 2HB LYS 23 HB1 LYS 23 -10.186 -0.177 0.548 175 1HG LYS 23 HG2 LYS 23 -11.790 -1.345 -0.738 176 2HG LYS 23 HG1 LYS 23 -10.461 -2.492 -0.566 177 1HD LYS 23 HD2 LYS 23 -12.090 -3.913 0.150 178 2HD LYS 23 HD1 LYS 23 -11.919 -3.047 1.677 179 1HE LYS 23 HE2 LYS 23 -14.259 -2.979 1.210 180 2HE LYS 23 HE1 LYS 23 -13.667 -1.388 0.692 181 1HZ LYS 23 HZ1 LYS 23 -15.034 -2.563 -1.009 182 2HZ LYS 23 HZ2 LYS 23 -13.823 -3.753 -1.096 183 3HZ LYS 23 HZ3 LYS 23 -13.477 -2.150 -1.539 184 H ALA 24 HN ALA 24 -8.307 -3.725 0.513 185 HA ALA 24 HA ALA 24 -5.711 -2.543 0.127 186 1HB ALA 24 HB1 ALA 24 -5.309 -4.691 -0.456 187 2HB ALA 24 HB2 ALA 24 -6.437 -4.583 -1.808 188 3HB ALA 24 HB3 ALA 24 -7.025 -5.010 -0.201 189 H ALA 25 HN ALA 25 -6.065 -0.465 -0.889 190 HA ALA 25 HA ALA 25 -6.681 -0.668 -3.808 191 1HB ALA 25 HB1 ALA 25 -8.280 0.500 -1.737 192 2HB ALA 25 HB2 ALA 25 -8.598 0.475 -3.472 193 3HB ALA 25 HB3 ALA 25 -7.676 1.801 -2.763 194 H GLY 26 HN GLY 26 -4.137 -0.577 -3.422 195 1HA GLY 26 HA2 GLY 26 -3.320 2.163 -4.061 196 2HA GLY 26 HA1 GLY 26 -2.649 1.546 -2.549 197 H LYS 27 HN LYS 27 -0.581 1.885 -3.881 198 HA LYS 27 HA LYS 27 0.075 -0.695 -5.238 199 1HB LYS 27 HB2 LYS 27 0.955 1.993 -6.305 200 2HB LYS 27 HB1 LYS 27 0.951 0.439 -7.136 201 1HG LYS 27 HG2 LYS 27 -1.468 0.418 -7.225 202 2HG LYS 27 HG1 LYS 27 -1.562 1.859 -6.214 203 1HD LYS 27 HD2 LYS 27 -1.874 2.379 -8.630 204 2HD LYS 27 HD1 LYS 27 -0.464 3.189 -7.946 205 1HE LYS 27 HE2 LYS 27 0.031 0.487 -9.091 206 2HE LYS 27 HE1 LYS 27 -0.336 1.778 -10.251 207 1HZ LYS 27 HZ1 LYS 27 1.895 2.121 -9.929 208 2HZ LYS 27 HZ2 LYS 27 1.866 1.595 -8.314 209 3HZ LYS 27 HZ3 LYS 27 1.262 3.130 -8.722 210 H CYS 28 HN CYS 28 2.562 -0.806 -5.539 211 HA CYS 28 HA CYS 28 3.862 0.360 -3.105 212 1HB CYS 28 HB2 CYS 28 3.819 -2.009 -2.983 213 2HB CYS 28 HB1 CYS 28 4.185 -2.185 -4.698 214 H MET 29 HN MET 29 5.819 1.490 -3.369 215 HA MET 29 HA MET 29 7.094 1.561 -6.052 216 1HB MET 29 HB2 MET 29 5.215 3.239 -5.939 217 2HB MET 29 HB1 MET 29 6.079 4.036 -4.623 218 1HG MET 29 HG2 MET 29 6.958 5.249 -6.362 219 2HG MET 29 HG1 MET 29 8.082 3.891 -6.415 220 1HE MET 29 HE1 MET 29 5.825 6.073 -8.499 221 2HE MET 29 HE2 MET 29 6.543 5.416 -9.967 222 3HE MET 29 HE3 MET 29 7.579 5.886 -8.621 223 H ASN 30 HN ASN 30 9.228 1.255 -5.564 224 HA ASN 30 HA ASN 30 11.318 1.485 -4.496 225 1HB ASN 30 HB2 ASN 30 9.840 4.057 -4.016 226 2HB ASN 30 HB1 ASN 30 11.434 3.822 -3.296 227 1HD2 ASN 30 HD21 ASN 30 11.837 5.731 -4.947 228 2HD2 ASN 30 HD22 ASN 30 12.328 5.269 -6.505 229 H GLY 31 HN GLY 31 9.177 0.074 -3.026 230 1HA GLY 31 HA2 GLY 31 9.158 -0.973 -0.902 231 2HA GLY 31 HA1 GLY 31 10.440 0.122 -0.388 232 H LYS 32 HN LYS 32 7.558 1.454 -1.822 233 HA LYS 32 HA LYS 32 6.630 2.291 0.909 234 1HB LYS 32 HB2 LYS 32 7.260 3.806 -1.588 235 2HB LYS 32 HB1 LYS 32 5.893 4.369 -0.628 236 1HG LYS 32 HG2 LYS 32 7.692 3.985 1.349 237 2HG LYS 32 HG1 LYS 32 8.792 4.371 0.025 238 1HD LYS 32 HD2 LYS 32 8.178 6.436 1.150 239 2HD LYS 32 HD1 LYS 32 7.426 6.416 -0.445 240 1HE LYS 32 HE2 LYS 32 5.804 5.204 1.729 241 2HE LYS 32 HE1 LYS 32 6.037 6.959 1.831 242 1HZ LYS 32 HZ1 LYS 32 4.466 5.478 -0.019 243 2HZ LYS 32 HZ2 LYS 32 5.624 6.405 -0.844 244 3HZ LYS 32 HZ3 LYS 32 4.533 7.154 0.220 245 H CYS 33 HN CYS 33 4.316 2.549 1.095 246 HA CYS 33 HA CYS 33 2.786 1.066 -1.007 247 1HB CYS 33 HB2 CYS 33 2.926 0.193 1.338 248 2HB CYS 33 HB1 CYS 33 2.140 1.667 1.897 249 H LYS 34 HN LYS 34 1.582 2.375 -2.322 250 HA LYS 34 HA LYS 34 0.671 5.026 -1.267 251 1HB LYS 34 HB2 LYS 34 1.287 3.880 -3.994 252 2HB LYS 34 HB1 LYS 34 0.394 5.391 -3.817 253 1HG LYS 34 HG2 LYS 34 2.335 6.125 -2.270 254 2HG LYS 34 HG1 LYS 34 3.225 4.777 -2.979 255 1HD LYS 34 HD2 LYS 34 1.871 6.933 -4.622 256 2HD LYS 34 HD1 LYS 34 3.573 6.983 -4.161 257 1HE LYS 34 HE2 LYS 34 3.237 4.409 -5.207 258 2HE LYS 34 HE1 LYS 34 2.303 5.455 -6.295 259 1HZ LYS 34 HZ1 LYS 34 4.120 6.734 -6.790 260 2HZ LYS 34 HZ2 LYS 34 4.874 5.225 -6.592 261 3HZ LYS 34 HZ3 LYS 34 4.924 6.373 -5.341 262 H CYS 35 HN CYS 35 -1.459 5.007 -0.642 263 HA CYS 35 HA CYS 35 -3.366 3.283 -2.196 264 1HB CYS 35 HB2 CYS 35 -3.229 4.067 0.731 265 2HB CYS 35 HB1 CYS 35 -4.627 3.266 0.013 266 H TYR 36 HN TYR 36 -5.260 4.304 -2.914 267 HA TYR 36 HA TYR 36 -5.270 7.224 -2.926 268 1HB TYR 36 HB2 TYR 36 -6.606 4.963 -4.253 269 2HB TYR 36 HB1 TYR 36 -7.645 6.373 -4.033 270 HD1 TYR 36 HD1 TYR 36 -4.005 5.838 -4.808 271 HD2 TYR 36 HD2 TYR 36 -7.693 7.748 -5.908 272 HE1 TYR 36 HE1 TYR 36 -2.855 6.976 -6.688 273 HE2 TYR 36 HE2 TYR 36 -6.543 8.885 -7.788 274 HH TYR 36 HH TYR 36 -4.607 8.705 -9.135 275 HA PRO 37 HA PRO 37 -9.377 6.533 -0.438 276 1HB PRO 37 HB2 PRO 37 -9.175 3.962 0.837 277 2HB PRO 37 HB1 PRO 37 -10.378 4.501 -0.338 278 1HG PRO 37 HG2 PRO 37 -8.256 2.622 -0.744 279 2HG PRO 37 HG1 PRO 37 -9.437 3.192 -1.926 280 1HD PRO 37 HD2 PRO 37 -6.621 3.824 -1.773 281 2HD PRO 37 HD1 PRO 37 -7.804 4.366 -2.988 Start of MODEL 14 1 1H VAL 1 HT1 VAL 1 -3.807 7.486 0.304 2 2H VAL 1 HT2 VAL 1 -3.013 8.222 -1.004 3 3H VAL 1 HT3 VAL 1 -4.041 9.136 -0.006 4 HA VAL 1 HA VAL 1 -1.770 9.641 0.577 5 HB VAL 1 HB VAL 1 -1.988 8.962 2.975 6 1HG1 VAL 1 HG11 VAL 1 -4.770 9.509 2.611 7 2HG1 VAL 1 HG12 VAL 1 -3.876 10.386 1.369 8 3HG1 VAL 1 HG13 VAL 1 -3.491 10.632 3.071 9 1HG2 VAL 1 HG21 VAL 1 -3.181 7.141 3.607 10 2HG2 VAL 1 HG22 VAL 1 -3.174 6.691 1.903 11 3HG2 VAL 1 HG23 VAL 1 -4.542 7.578 2.574 12 H PHE 2 HN PHE 2 0.198 8.680 1.755 13 HA PHE 2 HA PHE 2 0.762 5.924 0.701 14 1HB PHE 2 HB2 PHE 2 2.605 8.302 1.111 15 2HB PHE 2 HB1 PHE 2 3.077 6.745 0.432 16 HD1 PHE 2 HD1 PHE 2 2.929 6.391 -1.878 17 HD2 PHE 2 HD2 PHE 2 0.625 9.531 -0.069 18 HE1 PHE 2 HE1 PHE 2 2.200 7.150 -4.124 19 HE2 PHE 2 HE2 PHE 2 -0.103 10.290 -2.313 20 HZ PHE 2 HZ PHE 2 0.684 9.100 -4.341 21 H ILE 3 HN ILE 3 2.386 4.712 2.010 22 HA ILE 3 HA ILE 3 2.545 5.602 4.863 23 HB ILE 3 HB ILE 3 2.246 2.723 4.616 24 1HG1 ILE 3 HG12 ILE 3 -0.069 4.382 3.556 25 2HG1 ILE 3 HG11 ILE 3 0.926 3.298 2.584 26 1HG2 ILE 3 HG21 ILE 3 0.943 3.016 6.484 27 2HG2 ILE 3 HG22 ILE 3 0.153 4.456 5.840 28 3HG2 ILE 3 HG23 ILE 3 1.783 4.567 6.503 29 1HD1 ILE 3 HD11 ILE 3 -0.070 1.423 3.419 30 2HD1 ILE 3 HD12 ILE 3 -1.387 2.532 3.802 31 3HD1 ILE 3 HD13 ILE 3 -0.209 2.101 5.041 32 H ASN 4 HN ASN 4 4.425 4.826 5.957 33 HA ASN 4 HA ASN 4 6.643 4.053 4.156 34 1HB ASN 4 HB2 ASN 4 8.014 4.777 5.978 35 2HB ASN 4 HB1 ASN 4 6.650 5.894 5.944 36 1HD2 ASN 4 HD21 ASN 4 8.176 5.385 8.345 37 2HD2 ASN 4 HD22 ASN 4 7.152 4.616 9.459 38 H ALA 5 HN ALA 5 4.797 1.951 4.430 39 HA ALA 5 HA ALA 5 5.625 0.136 6.575 40 1HB ALA 5 HB1 ALA 5 4.137 -0.688 4.102 41 2HB ALA 5 HB2 ALA 5 3.368 0.441 5.217 42 3HB ALA 5 HB3 ALA 5 3.856 -1.158 5.778 43 H LYS 6 HN LYS 6 7.312 1.154 3.990 44 HA LYS 6 HA LYS 6 9.037 0.224 2.668 45 1HB LYS 6 HB2 LYS 6 8.883 -1.446 5.175 46 2HB LYS 6 HB1 LYS 6 10.093 -1.793 3.939 47 1HG LYS 6 HG2 LYS 6 9.726 0.994 5.037 48 2HG LYS 6 HG1 LYS 6 10.775 -0.178 5.834 49 1HD LYS 6 HD2 LYS 6 12.249 -0.294 4.010 50 2HD LYS 6 HD1 LYS 6 11.050 0.341 2.882 51 1HE LYS 6 HE2 LYS 6 11.149 2.526 4.228 52 2HE LYS 6 HE1 LYS 6 12.608 1.860 4.987 53 1HZ LYS 6 HZ1 LYS 6 13.272 1.306 2.579 54 2HZ LYS 6 HZ2 LYS 6 13.445 2.909 3.114 55 3HZ LYS 6 HZ3 LYS 6 12.122 2.473 2.141 56 H CYS 7 HN CYS 7 6.577 -0.447 1.638 57 HA CYS 7 HA CYS 7 5.875 -3.176 1.424 58 1HB CYS 7 HB2 CYS 7 4.820 -2.421 -0.695 59 2HB CYS 7 HB1 CYS 7 4.560 -1.257 0.605 60 H ARG 8 HN ARG 8 6.479 -4.800 -0.114 61 HA ARG 8 HA ARG 8 9.160 -4.354 -1.379 62 1HB ARG 8 HB2 ARG 8 7.740 -6.647 -0.064 63 2HB ARG 8 HB1 ARG 8 8.970 -7.000 -1.280 64 1HG ARG 8 HG2 ARG 8 10.686 -6.055 -0.018 65 2HG ARG 8 HG1 ARG 8 9.583 -5.028 0.898 66 1HD ARG 8 HD2 ARG 8 8.643 -7.449 1.658 67 2HD ARG 8 HD1 ARG 8 10.345 -7.865 1.372 68 HE ARG 8 HE ARG 8 9.428 -5.697 3.220 69 1HH1 ARG 8 HH21 ARG 8 10.550 -8.126 4.453 70 2HH1 ARG 8 HH22 ARG 8 12.226 -7.733 4.640 71 1HH2 ARG 8 HH11 ARG 8 12.127 -5.079 2.412 72 2HH2 ARG 8 HH12 ARG 8 13.118 -6.006 3.487 73 H GLY 9 HN GLY 9 5.833 -5.269 -1.959 74 1HA GLY 9 HA2 GLY 9 6.426 -5.359 -4.868 75 2HA GLY 9 HA1 GLY 9 5.561 -6.722 -4.156 76 H SER 10 HN SER 10 4.606 -4.781 -6.167 77 HA SER 10 HA SER 10 2.836 -2.845 -5.073 78 1HB SER 10 HB2 SER 10 1.942 -4.241 -7.505 79 2HB SER 10 HB1 SER 10 2.361 -2.548 -7.273 80 HG SER 10 HG SER 10 3.778 -4.101 -8.598 81 HA PRO 11 HA PRO 11 -0.573 -6.297 -5.331 82 1HB PRO 11 HB2 PRO 11 0.763 -8.825 -5.016 83 2HB PRO 11 HB1 PRO 11 -0.187 -8.261 -6.392 84 1HG PRO 11 HG2 PRO 11 2.638 -8.639 -6.279 85 2HG PRO 11 HG1 PRO 11 1.693 -7.985 -7.621 86 1HD PRO 11 HD2 PRO 11 3.470 -6.575 -5.806 87 2HD PRO 11 HD1 PRO 11 2.623 -5.939 -7.238 88 H GLU 12 HN GLU 12 2.369 -7.071 -3.460 89 HA GLU 12 HA GLU 12 1.111 -8.166 -1.152 90 1HB GLU 12 HB2 GLU 12 3.687 -7.293 -2.061 91 2HB GLU 12 HB1 GLU 12 3.427 -6.655 -0.438 92 1HG GLU 12 HG2 GLU 12 2.498 -9.392 -0.602 93 2HG GLU 12 HG1 GLU 12 4.180 -9.282 -1.122 94 H CYS 13 HN CYS 13 1.478 -4.847 -2.240 95 HA CYS 13 HA CYS 13 1.009 -3.536 0.280 96 1HB CYS 13 HB2 CYS 13 1.406 -2.919 -2.497 97 2HB CYS 13 HB1 CYS 13 0.020 -2.000 -1.910 98 H LEU 14 HN LEU 14 -1.136 -4.931 -2.157 99 HA LEU 14 HA LEU 14 -3.574 -3.677 -1.510 100 1HB LEU 14 HB2 LEU 14 -2.597 -6.082 -2.824 101 2HB LEU 14 HB1 LEU 14 -4.128 -6.385 -2.004 102 HG LEU 14 HG LEU 14 -4.974 -4.232 -3.105 103 1HD1 LEU 14 HD11 LEU 14 -3.502 -4.136 -5.409 104 2HD1 LEU 14 HD12 LEU 14 -2.245 -4.453 -4.214 105 3HD1 LEU 14 HD13 LEU 14 -3.280 -3.036 -4.050 106 1HD2 LEU 14 HD21 LEU 14 -4.963 -6.868 -3.946 107 2HD2 LEU 14 HD22 LEU 14 -4.371 -6.006 -5.366 108 3HD2 LEU 14 HD23 LEU 14 -5.930 -5.579 -4.662 109 HA PRO 15 HA PRO 15 -4.326 -7.123 1.847 110 1HB PRO 15 HB2 PRO 15 -1.734 -8.144 2.567 111 2HB PRO 15 HB1 PRO 15 -3.094 -9.030 1.872 112 1HG PRO 15 HG2 PRO 15 -0.630 -8.257 0.588 113 2HG PRO 15 HG1 PRO 15 -1.959 -9.211 -0.077 114 1HD PRO 15 HD2 PRO 15 -1.233 -6.535 -0.777 115 2HD PRO 15 HD1 PRO 15 -2.655 -7.452 -1.336 116 H LYS 16 HN LYS 16 -1.052 -5.666 1.975 117 HA LYS 16 HA LYS 16 -1.064 -4.961 4.740 118 1HB LYS 16 HB2 LYS 16 0.358 -4.198 2.235 119 2HB LYS 16 HB1 LYS 16 0.505 -3.079 3.592 120 1HG LYS 16 HG2 LYS 16 1.180 -5.023 5.035 121 2HG LYS 16 HG1 LYS 16 1.200 -6.029 3.585 122 1HD LYS 16 HD2 LYS 16 2.724 -4.024 2.682 123 2HD LYS 16 HD1 LYS 16 3.064 -3.848 4.404 124 1HE LYS 16 HE2 LYS 16 3.137 -6.650 3.600 125 2HE LYS 16 HE1 LYS 16 4.299 -5.672 2.681 126 1HZ LYS 16 HZ1 LYS 16 4.770 -6.537 5.157 127 2HZ LYS 16 HZ2 LYS 16 4.049 -5.038 5.507 128 3HZ LYS 16 HZ3 LYS 16 5.437 -5.110 4.529 129 H CYS 17 HN CYS 17 -1.964 -3.039 1.856 130 HA CYS 17 HA CYS 17 -2.705 -0.647 3.204 131 1HB CYS 17 HB2 CYS 17 -2.364 -1.111 0.723 132 2HB CYS 17 HB1 CYS 17 -3.973 -1.834 0.720 133 H LYS 18 HN LYS 18 -4.550 -3.604 2.505 134 HA LYS 18 HA LYS 18 -7.144 -2.717 3.248 135 1HB LYS 18 HB2 LYS 18 -6.869 -4.821 2.172 136 2HB LYS 18 HB1 LYS 18 -5.664 -5.352 3.346 137 1HG LYS 18 HG2 LYS 18 -7.239 -6.072 4.807 138 2HG LYS 18 HG1 LYS 18 -8.243 -4.643 4.560 139 1HD LYS 18 HD2 LYS 18 -8.498 -5.923 2.144 140 2HD LYS 18 HD1 LYS 18 -8.387 -7.284 3.261 141 1HE LYS 18 HE2 LYS 18 -10.700 -6.807 3.259 142 2HE LYS 18 HE1 LYS 18 -10.131 -5.906 4.679 143 1HZ LYS 18 HZ1 LYS 18 -9.717 -4.008 3.113 144 2HZ LYS 18 HZ2 LYS 18 -11.355 -4.379 3.371 145 3HZ LYS 18 HZ3 LYS 18 -10.587 -4.867 1.937 146 H GLU 19 HN GLU 19 -4.592 -4.238 5.248 147 HA GLU 19 HA GLU 19 -6.092 -4.006 7.725 148 1HB GLU 19 HB2 GLU 19 -3.950 -5.421 6.822 149 2HB GLU 19 HB1 GLU 19 -3.124 -4.160 7.739 150 1HG GLU 19 HG2 GLU 19 -5.478 -5.486 9.016 151 2HG GLU 19 HG1 GLU 19 -3.975 -6.403 8.912 152 H ALA 20 HN ALA 20 -3.921 -1.921 5.930 153 HA ALA 20 HA ALA 20 -3.221 -0.152 8.113 154 1HB ALA 20 HB1 ALA 20 -2.145 -0.575 5.782 155 2HB ALA 20 HB2 ALA 20 -2.164 1.079 6.395 156 3HB ALA 20 HB3 ALA 20 -3.345 0.573 5.187 157 H ILE 21 HN ILE 21 -5.658 0.031 5.494 158 HA ILE 21 HA ILE 21 -7.039 2.174 7.081 159 HB ILE 21 HB ILE 21 -7.793 2.878 4.701 160 1HG1 ILE 21 HG12 ILE 21 -5.359 1.205 3.998 161 2HG1 ILE 21 HG11 ILE 21 -7.022 0.731 3.651 162 1HG2 ILE 21 HG21 ILE 21 -5.480 3.449 6.261 163 2HG2 ILE 21 HG22 ILE 21 -6.277 4.494 5.086 164 3HG2 ILE 21 HG23 ILE 21 -4.978 3.419 4.571 165 1HD1 ILE 21 HD11 ILE 21 -5.374 2.901 2.420 166 2HD1 ILE 21 HD12 ILE 21 -7.116 3.148 2.548 167 3HD1 ILE 21 HD13 ILE 21 -6.483 1.766 1.653 168 H GLY 22 HN GLY 22 -7.380 -0.710 5.057 169 1HA GLY 22 HA2 GLY 22 -9.223 -2.271 5.684 170 2HA GLY 22 HA1 GLY 22 -10.241 -0.852 5.921 171 H LYS 23 HN LYS 23 -8.097 -0.734 3.230 172 HA LYS 23 HA LYS 23 -10.195 -1.714 1.354 173 1HB LYS 23 HB2 LYS 23 -9.787 0.982 2.066 174 2HB LYS 23 HB1 LYS 23 -9.051 0.802 0.472 175 1HG LYS 23 HG2 LYS 23 -11.386 -0.614 0.174 176 2HG LYS 23 HG1 LYS 23 -11.889 0.690 1.250 177 1HD LYS 23 HD2 LYS 23 -10.158 1.542 -0.985 178 2HD LYS 23 HD1 LYS 23 -11.738 0.924 -1.471 179 1HE LYS 23 HE2 LYS 23 -12.845 2.498 0.083 180 2HE LYS 23 HE1 LYS 23 -11.257 3.127 0.569 181 1HZ LYS 23 HZ1 LYS 23 -12.301 3.067 -2.214 182 2HZ LYS 23 HZ2 LYS 23 -10.795 3.681 -1.728 183 3HZ LYS 23 HZ3 LYS 23 -12.227 4.447 -1.231 184 H ALA 24 HN ALA 24 -9.177 -2.965 -0.162 185 HA ALA 24 HA ALA 24 -6.253 -2.942 -0.399 186 1HB ALA 24 HB1 ALA 24 -7.785 -4.475 -2.364 187 2HB ALA 24 HB2 ALA 24 -8.349 -4.752 -0.716 188 3HB ALA 24 HB3 ALA 24 -6.661 -5.049 -1.131 189 H ALA 25 HN ALA 25 -6.112 -0.671 -1.250 190 HA ALA 25 HA ALA 25 -6.308 -0.666 -4.213 191 1HB ALA 25 HB1 ALA 25 -7.289 1.842 -3.364 192 2HB ALA 25 HB2 ALA 25 -8.125 0.643 -2.376 193 3HB ALA 25 HB3 ALA 25 -8.211 0.551 -4.136 194 H GLY 26 HN GLY 26 -3.882 -0.801 -3.391 195 1HA GLY 26 HA2 GLY 26 -2.784 1.911 -3.649 196 2HA GLY 26 HA1 GLY 26 -2.413 1.113 -2.121 197 H LYS 27 HN LYS 27 -0.543 1.868 -4.264 198 HA LYS 27 HA LYS 27 0.409 -0.848 -5.107 199 1HB LYS 27 HB2 LYS 27 1.052 1.885 -6.257 200 2HB LYS 27 HB1 LYS 27 1.437 0.321 -6.976 201 1HG LYS 27 HG2 LYS 27 -1.180 -0.049 -6.767 202 2HG LYS 27 HG1 LYS 27 -1.206 1.716 -6.774 203 1HD LYS 27 HD2 LYS 27 0.604 0.756 -8.808 204 2HD LYS 27 HD1 LYS 27 -0.977 0.003 -9.012 205 1HE LYS 27 HE2 LYS 27 -1.899 1.948 -9.730 206 2HE LYS 27 HE1 LYS 27 -1.183 2.859 -8.386 207 1HZ LYS 27 HZ1 LYS 27 0.236 1.954 -10.837 208 2HZ LYS 27 HZ2 LYS 27 0.962 2.754 -9.526 209 3HZ LYS 27 HZ3 LYS 27 -0.198 3.553 -10.476 210 H CYS 28 HN CYS 28 2.972 -0.647 -5.480 211 HA CYS 28 HA CYS 28 4.121 0.632 -3.018 212 1HB CYS 28 HB2 CYS 28 4.040 -1.786 -2.839 213 2HB CYS 28 HB1 CYS 28 4.748 -1.971 -4.444 214 H MET 29 HN MET 29 5.966 1.884 -3.330 215 HA MET 29 HA MET 29 7.401 1.724 -5.931 216 1HB MET 29 HB2 MET 29 5.614 3.317 -6.315 217 2HB MET 29 HB1 MET 29 5.973 4.149 -4.804 218 1HG MET 29 HG2 MET 29 8.403 4.066 -6.248 219 2HG MET 29 HG1 MET 29 7.160 4.546 -7.404 220 1HE MET 29 HE1 MET 29 9.613 5.927 -6.491 221 2HE MET 29 HE2 MET 29 9.357 7.506 -5.752 222 3HE MET 29 HE3 MET 29 8.703 7.176 -7.354 223 H ASN 30 HN ASN 30 9.511 1.536 -5.292 224 HA ASN 30 HA ASN 30 11.552 2.081 -4.227 225 1HB ASN 30 HB2 ASN 30 10.076 4.415 -4.527 226 2HB ASN 30 HB1 ASN 30 10.501 4.421 -2.815 227 1HD2 ASN 30 HD21 ASN 30 11.702 5.088 -5.957 228 2HD2 ASN 30 HD22 ASN 30 13.342 5.249 -5.547 229 H GLY 31 HN GLY 31 8.854 1.038 -2.723 230 1HA GLY 31 HA2 GLY 31 9.096 -0.319 -0.686 231 2HA GLY 31 HA1 GLY 31 10.255 0.870 -0.093 232 H LYS 32 HN LYS 32 7.519 2.213 -1.658 233 HA LYS 32 HA LYS 32 6.275 2.792 1.012 234 1HB LYS 32 HB2 LYS 32 6.766 4.518 -1.432 235 2HB LYS 32 HB1 LYS 32 5.705 5.013 -0.113 236 1HG LYS 32 HG2 LYS 32 8.359 4.027 0.738 237 2HG LYS 32 HG1 LYS 32 8.387 5.530 -0.187 238 1HD LYS 32 HD2 LYS 32 6.627 6.438 1.356 239 2HD LYS 32 HD1 LYS 32 6.800 4.981 2.335 240 1HE LYS 32 HE2 LYS 32 9.326 5.561 2.411 241 2HE LYS 32 HE1 LYS 32 8.825 7.174 1.868 242 1HZ LYS 32 HZ1 LYS 32 7.674 7.568 3.764 243 2HZ LYS 32 HZ2 LYS 32 8.815 6.492 4.417 244 3HZ LYS 32 HZ3 LYS 32 7.262 5.941 4.000 245 H CYS 33 HN CYS 33 4.008 2.644 1.084 246 HA CYS 33 HA CYS 33 2.724 1.332 -1.249 247 1HB CYS 33 HB2 CYS 33 2.676 0.764 1.348 248 2HB CYS 33 HB1 CYS 33 1.357 1.934 1.348 249 H LYS 34 HN LYS 34 1.426 2.474 -2.628 250 HA LYS 34 HA LYS 34 0.648 5.252 -1.869 251 1HB LYS 34 HB2 LYS 34 0.459 3.866 -4.555 252 2HB LYS 34 HB1 LYS 34 0.507 5.600 -4.238 253 1HG LYS 34 HG2 LYS 34 2.801 5.487 -3.518 254 2HG LYS 34 HG1 LYS 34 2.775 3.724 -3.529 255 1HD LYS 34 HD2 LYS 34 3.897 4.542 -5.546 256 2HD LYS 34 HD1 LYS 34 2.375 3.767 -5.983 257 1HE LYS 34 HE2 LYS 34 1.371 6.183 -5.782 258 2HE LYS 34 HE1 LYS 34 3.056 6.702 -5.968 259 1HZ LYS 34 HZ1 LYS 34 1.366 5.889 -7.986 260 2HZ LYS 34 HZ2 LYS 34 2.423 4.579 -7.759 261 3HZ LYS 34 HZ3 LYS 34 3.041 6.124 -8.104 262 H CYS 35 HN CYS 35 -1.126 4.396 -0.460 263 HA CYS 35 HA CYS 35 -3.348 2.974 -1.775 264 1HB CYS 35 HB2 CYS 35 -2.795 4.088 0.985 265 2HB CYS 35 HB1 CYS 35 -4.324 3.314 0.569 266 H TYR 36 HN TYR 36 -5.394 3.921 -2.201 267 HA TYR 36 HA TYR 36 -5.361 6.788 -2.755 268 1HB TYR 36 HB2 TYR 36 -7.054 4.411 -3.270 269 2HB TYR 36 HB1 TYR 36 -7.905 5.958 -3.237 270 HD1 TYR 36 HD1 TYR 36 -7.778 7.438 -5.076 271 HD2 TYR 36 HD2 TYR 36 -4.955 4.220 -4.728 272 HE1 TYR 36 HE1 TYR 36 -6.914 7.949 -7.344 273 HE2 TYR 36 HE2 TYR 36 -4.091 4.730 -6.995 274 HH TYR 36 HH TYR 36 -4.854 7.610 -8.647 275 HA PRO 37 HA PRO 37 -8.973 6.833 0.512 276 1HB PRO 37 HB2 PRO 37 -8.612 4.500 2.157 277 2HB PRO 37 HB1 PRO 37 -10.005 4.923 1.157 278 1HG PRO 37 HG2 PRO 37 -7.998 2.900 0.670 279 2HG PRO 37 HG1 PRO 37 -9.459 3.247 -0.262 280 1HD PRO 37 HD2 PRO 37 -6.770 3.756 -1.049 281 2HD PRO 37 HD1 PRO 37 -8.250 4.287 -1.885 Start of MODEL 15 1 1H VAL 1 HT1 VAL 1 -2.799 9.736 0.932 2 2H VAL 1 HT2 VAL 1 -4.311 10.163 1.578 3 3H VAL 1 HT3 VAL 1 -4.148 8.746 0.655 4 HA VAL 1 HA VAL 1 -3.007 9.259 3.354 5 HB VAL 1 HB VAL 1 -5.171 7.518 2.150 6 1HG1 VAL 1 HG11 VAL 1 -4.733 5.952 3.707 7 2HG1 VAL 1 HG12 VAL 1 -5.046 7.156 4.957 8 3HG1 VAL 1 HG13 VAL 1 -3.406 6.920 4.351 9 1HG2 VAL 1 HG21 VAL 1 -6.281 9.416 2.787 10 2HG2 VAL 1 HG22 VAL 1 -5.008 9.904 3.906 11 3HG2 VAL 1 HG23 VAL 1 -6.186 8.682 4.387 12 H PHE 2 HN PHE 2 -0.857 8.828 2.224 13 HA PHE 2 HA PHE 2 -0.466 6.008 1.355 14 1HB PHE 2 HB2 PHE 2 1.138 8.570 1.284 15 2HB PHE 2 HB1 PHE 2 1.859 7.020 0.862 16 HD1 PHE 2 HD1 PHE 2 -1.491 6.674 -0.004 17 HD2 PHE 2 HD2 PHE 2 2.065 8.724 -1.279 18 HE1 PHE 2 HE1 PHE 2 -2.418 6.862 -2.293 19 HE2 PHE 2 HE2 PHE 2 1.134 8.911 -3.567 20 HZ PHE 2 HZ PHE 2 -1.108 7.982 -4.075 21 H ILE 3 HN ILE 3 1.457 4.854 2.265 22 HA ILE 3 HA ILE 3 2.058 5.670 5.087 23 HB ILE 3 HB ILE 3 1.715 3.381 5.761 24 1HG1 ILE 3 HG12 ILE 3 1.278 2.741 2.829 25 2HG1 ILE 3 HG11 ILE 3 2.766 2.393 3.709 26 1HG2 ILE 3 HG21 ILE 3 -0.330 4.806 5.345 27 2HG2 ILE 3 HG22 ILE 3 -0.624 3.069 5.243 28 3HG2 ILE 3 HG23 ILE 3 -0.476 4.026 3.769 29 1HD1 ILE 3 HD11 ILE 3 0.641 0.664 3.502 30 2HD1 ILE 3 HD12 ILE 3 0.322 1.443 5.052 31 3HD1 ILE 3 HD13 ILE 3 1.852 0.610 4.783 32 H ASN 4 HN ASN 4 4.204 5.280 5.730 33 HA ASN 4 HA ASN 4 6.155 4.945 3.586 34 1HB ASN 4 HB2 ASN 4 7.661 5.727 5.201 35 2HB ASN 4 HB1 ASN 4 6.140 6.437 5.737 36 1HD2 ASN 4 HD21 ASN 4 4.949 4.113 6.944 37 2HD2 ASN 4 HD22 ASN 4 5.880 3.684 8.295 38 H ALA 5 HN ALA 5 4.355 2.590 4.734 39 HA ALA 5 HA ALA 5 5.856 0.624 6.006 40 1HB ALA 5 HB1 ALA 5 3.558 0.275 5.423 41 2HB ALA 5 HB2 ALA 5 4.468 -0.939 4.526 42 3HB ALA 5 HB3 ALA 5 3.887 0.512 3.707 43 H LYS 6 HN LYS 6 6.874 -1.367 4.868 44 HA LYS 6 HA LYS 6 8.628 -0.403 2.630 45 1HB LYS 6 HB2 LYS 6 9.711 -0.796 4.813 46 2HB LYS 6 HB1 LYS 6 9.105 -2.452 4.808 47 1HG LYS 6 HG2 LYS 6 11.394 -2.495 4.014 48 2HG LYS 6 HG1 LYS 6 10.332 -2.819 2.644 49 1HD LYS 6 HD2 LYS 6 11.404 -1.135 1.588 50 2HD LYS 6 HD1 LYS 6 10.525 -0.047 2.664 51 1HE LYS 6 HE2 LYS 6 12.367 0.344 3.990 52 2HE LYS 6 HE1 LYS 6 13.005 -1.297 3.761 53 1HZ LYS 6 HZ1 LYS 6 13.118 -0.450 1.277 54 2HZ LYS 6 HZ2 LYS 6 14.392 -0.182 2.368 55 3HZ LYS 6 HZ3 LYS 6 13.274 1.055 2.043 56 H CYS 7 HN CYS 7 6.604 -1.269 1.384 57 HA CYS 7 HA CYS 7 5.841 -3.956 1.200 58 1HB CYS 7 HB2 CYS 7 5.494 -3.337 -1.272 59 2HB CYS 7 HB1 CYS 7 4.732 -2.273 -0.090 60 H ARG 8 HN ARG 8 6.519 -5.422 -0.789 61 HA ARG 8 HA ARG 8 9.516 -5.421 -0.980 62 1HB ARG 8 HB2 ARG 8 7.494 -7.604 -0.463 63 2HB ARG 8 HB1 ARG 8 9.117 -7.979 -1.044 64 1HG ARG 8 HG2 ARG 8 10.128 -7.313 0.922 65 2HG ARG 8 HG1 ARG 8 8.873 -6.129 1.289 66 1HD ARG 8 HD2 ARG 8 7.727 -7.632 2.544 67 2HD ARG 8 HD1 ARG 8 7.800 -8.846 1.250 68 HE ARG 8 HE ARG 8 9.646 -9.793 2.365 69 1HH1 ARG 8 HH21 ARG 8 8.841 -6.787 3.768 70 2HH1 ARG 8 HH22 ARG 8 10.323 -6.636 4.651 71 1HH2 ARG 8 HH11 ARG 8 11.758 -9.467 3.258 72 2HH2 ARG 8 HH12 ARG 8 11.975 -8.148 4.360 73 H GLY 9 HN GLY 9 6.563 -5.377 -2.693 74 1HA GLY 9 HA2 GLY 9 7.978 -5.585 -5.243 75 2HA GLY 9 HA1 GLY 9 6.866 -6.925 -4.949 76 H SER 10 HN SER 10 4.577 -6.265 -4.382 77 HA SER 10 HA SER 10 3.549 -3.653 -4.828 78 1HB SER 10 HB2 SER 10 4.380 -5.174 -7.184 79 2HB SER 10 HB1 SER 10 2.698 -4.658 -7.279 80 HG SER 10 HG SER 10 4.622 -2.838 -6.374 81 HA PRO 11 HA PRO 11 -0.052 -6.839 -5.549 82 1HB PRO 11 HB2 PRO 11 1.076 -9.455 -5.145 83 2HB PRO 11 HB1 PRO 11 0.314 -8.814 -6.603 84 1HG PRO 11 HG2 PRO 11 3.116 -9.314 -6.124 85 2HG PRO 11 HG1 PRO 11 2.340 -8.763 -7.612 86 1HD PRO 11 HD2 PRO 11 4.012 -7.233 -5.876 87 2HD PRO 11 HD1 PRO 11 3.093 -6.642 -7.281 88 H GLU 12 HN GLU 12 2.581 -7.015 -3.322 89 HA GLU 12 HA GLU 12 1.036 -8.310 -1.168 90 1HB GLU 12 HB2 GLU 12 3.791 -7.584 -1.821 91 2HB GLU 12 HB1 GLU 12 3.388 -7.211 -0.144 92 1HG GLU 12 HG2 GLU 12 2.854 -9.448 0.356 93 2HG GLU 12 HG1 GLU 12 2.653 -9.874 -1.344 94 H CYS 13 HN CYS 13 1.549 -5.119 -2.375 95 HA CYS 13 HA CYS 13 1.261 -3.658 0.112 96 1HB CYS 13 HB2 CYS 13 1.737 -3.184 -2.654 97 2HB CYS 13 HB1 CYS 13 0.341 -2.209 -2.196 98 H LEU 14 HN LEU 14 -1.033 -4.687 -2.433 99 HA LEU 14 HA LEU 14 -3.345 -3.336 -1.623 100 1HB LEU 14 HB2 LEU 14 -2.610 -5.513 -3.278 101 2HB LEU 14 HB1 LEU 14 -3.940 -6.085 -2.270 102 HG LEU 14 HG LEU 14 -5.342 -4.238 -2.944 103 1HD1 LEU 14 HD11 LEU 14 -4.082 -2.853 -4.942 104 2HD1 LEU 14 HD12 LEU 14 -2.746 -3.141 -3.826 105 3HD1 LEU 14 HD13 LEU 14 -4.193 -2.300 -3.270 106 1HD2 LEU 14 HD21 LEU 14 -5.623 -5.868 -4.569 107 2HD2 LEU 14 HD22 LEU 14 -3.934 -5.805 -5.073 108 3HD2 LEU 14 HD23 LEU 14 -5.052 -4.535 -5.571 109 HA PRO 15 HA PRO 15 -4.309 -6.949 1.487 110 1HB PRO 15 HB2 PRO 15 -1.781 -8.133 2.185 111 2HB PRO 15 HB1 PRO 15 -3.168 -8.907 1.414 112 1HG PRO 15 HG2 PRO 15 -0.650 -8.212 0.220 113 2HG PRO 15 HG1 PRO 15 -2.034 -9.002 -0.539 114 1HD PRO 15 HD2 PRO 15 -1.094 -6.320 -0.963 115 2HD PRO 15 HD1 PRO 15 -2.514 -7.100 -1.693 116 H LYS 16 HN LYS 16 -0.901 -5.890 1.933 117 HA LYS 16 HA LYS 16 -1.146 -5.228 4.701 118 1HB LYS 16 HB2 LYS 16 0.673 -4.443 2.424 119 2HB LYS 16 HB1 LYS 16 0.905 -3.763 4.034 120 1HG LYS 16 HG2 LYS 16 1.057 -6.046 4.973 121 2HG LYS 16 HG1 LYS 16 0.851 -6.718 3.355 122 1HD LYS 16 HD2 LYS 16 2.950 -5.992 2.637 123 2HD LYS 16 HD1 LYS 16 3.036 -4.718 3.855 124 1HE LYS 16 HE2 LYS 16 2.815 -7.251 5.204 125 2HE LYS 16 HE1 LYS 16 4.144 -7.331 4.029 126 1HZ LYS 16 HZ1 LYS 16 4.437 -6.198 6.397 127 2HZ LYS 16 HZ2 LYS 16 3.854 -4.852 5.538 128 3HZ LYS 16 HZ3 LYS 16 5.263 -5.648 5.022 129 H CYS 17 HN CYS 17 -1.845 -3.398 1.762 130 HA CYS 17 HA CYS 17 -2.109 -0.810 3.035 131 1HB CYS 17 HB2 CYS 17 -1.663 -1.073 0.659 132 2HB CYS 17 HB1 CYS 17 -3.138 -2.017 0.449 133 H LYS 18 HN LYS 18 -4.482 -3.290 2.008 134 HA LYS 18 HA LYS 18 -6.848 -1.925 2.772 135 1HB LYS 18 HB2 LYS 18 -6.502 -4.095 1.458 136 2HB LYS 18 HB1 LYS 18 -6.321 -4.898 3.019 137 1HG LYS 18 HG2 LYS 18 -8.574 -3.758 3.625 138 2HG LYS 18 HG1 LYS 18 -8.750 -3.518 1.886 139 1HD LYS 18 HD2 LYS 18 -8.126 -6.081 1.776 140 2HD LYS 18 HD1 LYS 18 -8.691 -6.078 3.447 141 1HE LYS 18 HE2 LYS 18 -10.514 -4.604 1.706 142 2HE LYS 18 HE1 LYS 18 -10.320 -6.291 1.190 143 1HZ LYS 18 HZ1 LYS 18 -11.991 -5.767 3.065 144 2HZ LYS 18 HZ2 LYS 18 -10.613 -5.626 4.048 145 3HZ LYS 18 HZ3 LYS 18 -10.946 -7.090 3.253 146 H GLU 19 HN GLU 19 -4.777 -4.136 4.670 147 HA GLU 19 HA GLU 19 -6.370 -3.919 7.086 148 1HB GLU 19 HB2 GLU 19 -4.934 -5.838 6.514 149 2HB GLU 19 HB1 GLU 19 -3.511 -4.797 6.563 150 1HG GLU 19 HG2 GLU 19 -4.181 -4.246 8.974 151 2HG GLU 19 HG1 GLU 19 -5.305 -5.603 8.859 152 H ALA 20 HN ALA 20 -3.846 -1.997 5.644 153 HA ALA 20 HA ALA 20 -3.040 -0.680 8.140 154 1HB ALA 20 HB1 ALA 20 -1.755 0.731 6.497 155 2HB ALA 20 HB2 ALA 20 -2.547 -0.151 5.191 156 3HB ALA 20 HB3 ALA 20 -1.472 -0.999 6.303 157 H ILE 21 HN ILE 21 -4.801 0.352 5.187 158 HA ILE 21 HA ILE 21 -5.821 2.721 6.688 159 HB ILE 21 HB ILE 21 -4.702 3.097 4.548 160 1HG1 ILE 21 HG12 ILE 21 -7.716 3.415 4.470 161 2HG1 ILE 21 HG11 ILE 21 -6.528 4.611 4.988 162 1HG2 ILE 21 HG21 ILE 21 -6.099 0.690 3.847 163 2HG2 ILE 21 HG22 ILE 21 -4.858 1.543 2.927 164 3HG2 ILE 21 HG23 ILE 21 -6.558 1.960 2.712 165 1HD1 ILE 21 HD11 ILE 21 -7.104 5.254 2.775 166 2HD1 ILE 21 HD12 ILE 21 -7.052 3.590 2.195 167 3HD1 ILE 21 HD13 ILE 21 -5.556 4.424 2.612 168 H GLY 22 HN GLY 22 -6.840 -0.305 5.255 169 1HA GLY 22 HA2 GLY 22 -8.938 -1.335 5.993 170 2HA GLY 22 HA1 GLY 22 -9.621 0.283 6.164 171 H LYS 23 HN LYS 23 -7.955 0.574 3.412 172 HA LYS 23 HA LYS 23 -10.265 -0.345 1.729 173 1HB LYS 23 HB2 LYS 23 -8.347 1.984 1.369 174 2HB LYS 23 HB1 LYS 23 -9.727 1.616 0.334 175 1HG LYS 23 HG2 LYS 23 -10.582 1.700 3.086 176 2HG LYS 23 HG1 LYS 23 -9.722 3.188 2.687 177 1HD LYS 23 HD2 LYS 23 -11.982 3.606 2.077 178 2HD LYS 23 HD1 LYS 23 -11.157 3.255 0.557 179 1HE LYS 23 HE2 LYS 23 -13.250 1.993 0.613 180 2HE LYS 23 HE1 LYS 23 -11.907 0.848 0.800 181 1HZ LYS 23 HZ1 LYS 23 -13.983 1.308 2.593 182 2HZ LYS 23 HZ2 LYS 23 -12.584 1.945 3.314 183 3HZ LYS 23 HZ3 LYS 23 -12.625 0.320 2.821 184 H ALA 24 HN ALA 24 -9.634 -2.102 0.537 185 HA ALA 24 HA ALA 24 -6.871 -2.792 0.030 186 1HB ALA 24 HB1 ALA 24 -9.576 -3.716 -0.957 187 2HB ALA 24 HB2 ALA 24 -8.502 -4.521 0.187 188 3HB ALA 24 HB3 ALA 24 -8.081 -4.461 -1.524 189 H ALA 25 HN ALA 25 -6.541 -0.430 -0.925 190 HA ALA 25 HA ALA 25 -6.584 -0.706 -3.883 191 1HB ALA 25 HB1 ALA 25 -8.516 0.530 -3.826 192 2HB ALA 25 HB2 ALA 25 -7.398 1.877 -3.613 193 3HB ALA 25 HB3 ALA 25 -8.183 1.152 -2.209 194 H GLY 26 HN GLY 26 -4.329 -0.611 -4.066 195 1HA GLY 26 HA2 GLY 26 -2.974 1.840 -4.042 196 2HA GLY 26 HA1 GLY 26 -2.678 1.125 -2.457 197 H LYS 27 HN LYS 27 -0.435 1.395 -3.783 198 HA LYS 27 HA LYS 27 0.253 -1.374 -4.625 199 1HB LYS 27 HB2 LYS 27 0.857 1.126 -6.241 200 2HB LYS 27 HB1 LYS 27 1.292 -0.527 -6.680 201 1HG LYS 27 HG2 LYS 27 -1.189 -1.081 -6.584 202 2HG LYS 27 HG1 LYS 27 -1.485 0.654 -6.466 203 1HD LYS 27 HD2 LYS 27 0.335 0.352 -8.590 204 2HD LYS 27 HD1 LYS 27 -0.861 -0.925 -8.809 205 1HE LYS 27 HE2 LYS 27 -2.292 0.622 -9.638 206 2HE LYS 27 HE1 LYS 27 -2.288 1.425 -8.055 207 1HZ LYS 27 HZ1 LYS 27 -0.626 1.968 -10.415 208 2HZ LYS 27 HZ2 LYS 27 0.037 2.242 -8.874 209 3HZ LYS 27 HZ3 LYS 27 -1.374 3.059 -9.353 210 H CYS 28 HN CYS 28 2.837 -1.206 -5.187 211 HA CYS 28 HA CYS 28 4.036 0.157 -2.809 212 1HB CYS 28 HB2 CYS 28 4.323 -2.212 -2.745 213 2HB CYS 28 HB1 CYS 28 4.731 -2.280 -4.460 214 H MET 29 HN MET 29 5.418 1.836 -3.193 215 HA MET 29 HA MET 29 6.911 1.954 -5.767 216 1HB MET 29 HB2 MET 29 4.815 3.844 -4.727 217 2HB MET 29 HB1 MET 29 6.129 4.474 -5.720 218 1HG MET 29 HG2 MET 29 5.006 2.038 -6.856 219 2HG MET 29 HG1 MET 29 3.778 3.287 -6.655 220 1HE MET 29 HE1 MET 29 3.203 3.423 -8.665 221 2HE MET 29 HE2 MET 29 4.264 2.988 -10.002 222 3HE MET 29 HE3 MET 29 3.816 4.673 -9.756 223 H ASN 30 HN ASN 30 9.006 2.487 -5.284 224 HA ASN 30 HA ASN 30 10.862 3.397 -4.137 225 1HB ASN 30 HB2 ASN 30 8.571 5.194 -3.768 226 2HB ASN 30 HB1 ASN 30 9.757 5.323 -2.469 227 1HD2 ASN 30 HD21 ASN 30 11.730 6.381 -2.936 228 2HD2 ASN 30 HD22 ASN 30 12.149 6.959 -4.476 229 H GLY 31 HN GLY 31 9.639 1.057 -3.041 230 1HA GLY 31 HA2 GLY 31 9.697 -0.215 -1.071 231 2HA GLY 31 HA1 GLY 31 10.751 1.034 -0.411 232 H LYS 32 HN LYS 32 7.605 1.942 -1.582 233 HA LYS 32 HA LYS 32 6.578 2.049 1.232 234 1HB LYS 32 HB2 LYS 32 6.563 4.216 -0.897 235 2HB LYS 32 HB1 LYS 32 5.764 4.345 0.670 236 1HG LYS 32 HG2 LYS 32 7.770 4.471 1.841 237 2HG LYS 32 HG1 LYS 32 8.673 3.621 0.587 238 1HD LYS 32 HD2 LYS 32 8.458 5.586 -0.899 239 2HD LYS 32 HD1 LYS 32 7.577 6.441 0.370 240 1HE LYS 32 HE2 LYS 32 10.197 5.287 1.182 241 2HE LYS 32 HE1 LYS 32 10.260 6.668 0.067 242 1HZ LYS 32 HZ1 LYS 32 9.974 6.994 2.668 243 2HZ LYS 32 HZ2 LYS 32 8.336 6.798 2.261 244 3HZ LYS 32 HZ3 LYS 32 9.249 8.039 1.546 245 H CYS 33 HN CYS 33 4.096 2.692 1.082 246 HA CYS 33 HA CYS 33 2.897 1.128 -1.186 247 1HB CYS 33 HB2 CYS 33 2.907 0.408 1.376 248 2HB CYS 33 HB1 CYS 33 1.540 1.518 1.456 249 H LYS 34 HN LYS 34 1.489 2.259 -2.455 250 HA LYS 34 HA LYS 34 0.650 4.983 -1.574 251 1HB LYS 34 HB2 LYS 34 0.494 3.586 -4.266 252 2HB LYS 34 HB1 LYS 34 0.251 5.307 -3.967 253 1HG LYS 34 HG2 LYS 34 2.771 4.425 -2.841 254 2HG LYS 34 HG1 LYS 34 2.685 4.032 -4.559 255 1HD LYS 34 HD2 LYS 34 2.125 6.761 -3.358 256 2HD LYS 34 HD1 LYS 34 3.604 6.303 -4.203 257 1HE LYS 34 HE2 LYS 34 0.976 5.871 -5.592 258 2HE LYS 34 HE1 LYS 34 1.662 7.507 -5.539 259 1HZ LYS 34 HZ1 LYS 34 3.141 5.070 -6.379 260 2HZ LYS 34 HZ2 LYS 34 3.737 6.661 -6.383 261 3HZ LYS 34 HZ3 LYS 34 2.489 6.216 -7.446 262 H CYS 35 HN CYS 35 -1.134 4.397 -0.196 263 HA CYS 35 HA CYS 35 -3.303 2.716 -1.304 264 1HB CYS 35 HB2 CYS 35 -2.776 4.130 1.324 265 2HB CYS 35 HB1 CYS 35 -4.238 3.192 1.013 266 H TYR 36 HN TYR 36 -5.333 3.540 -1.914 267 HA TYR 36 HA TYR 36 -5.474 6.479 -2.311 268 1HB TYR 36 HB2 TYR 36 -6.687 4.011 -3.467 269 2HB TYR 36 HB1 TYR 36 -7.644 5.490 -3.550 270 HD1 TYR 36 HD1 TYR 36 -5.631 7.582 -3.866 271 HD2 TYR 36 HD2 TYR 36 -5.800 3.662 -5.617 272 HE1 TYR 36 HE1 TYR 36 -4.251 8.371 -5.768 273 HE2 TYR 36 HE2 TYR 36 -4.419 4.454 -7.520 274 HH TYR 36 HH TYR 36 -2.559 6.705 -7.627 275 HA PRO 37 HA PRO 37 -8.141 6.864 1.245 276 1HB PRO 37 HB2 PRO 37 -9.291 9.259 0.143 277 2HB PRO 37 HB1 PRO 37 -8.063 9.124 1.405 278 1HG PRO 37 HG2 PRO 37 -7.713 10.026 -1.294 279 2HG PRO 37 HG1 PRO 37 -6.486 9.877 -0.033 280 1HD PRO 37 HD2 PRO 37 -6.826 8.227 -2.379 281 2HD PRO 37 HD1 PRO 37 -5.584 8.083 -1.112 Start of MODEL 16 1 1H VAL 1 HT1 VAL 1 -2.665 9.438 -0.670 2 2H VAL 1 HT2 VAL 1 -1.752 8.112 -1.212 3 3H VAL 1 HT3 VAL 1 -1.201 9.696 -1.487 4 HA VAL 1 HA VAL 1 -0.387 9.944 0.603 5 HB VAL 1 HB VAL 1 -2.794 9.755 1.349 6 1HG1 VAL 1 HG11 VAL 1 -3.265 7.503 0.565 7 2HG1 VAL 1 HG12 VAL 1 -3.444 7.537 2.319 8 3HG1 VAL 1 HG13 VAL 1 -1.994 6.840 1.594 9 1HG2 VAL 1 HG21 VAL 1 -2.058 9.887 3.496 10 2HG2 VAL 1 HG22 VAL 1 -0.453 9.629 2.814 11 3HG2 VAL 1 HG23 VAL 1 -1.373 8.264 3.446 12 H PHE 2 HN PHE 2 1.073 8.631 1.953 13 HA PHE 2 HA PHE 2 1.441 5.825 0.958 14 1HB PHE 2 HB2 PHE 2 3.530 7.974 1.435 15 2HB PHE 2 HB1 PHE 2 3.869 6.322 0.918 16 HD1 PHE 2 HD1 PHE 2 4.004 5.858 -1.358 17 HD2 PHE 2 HD2 PHE 2 1.777 9.282 -0.040 18 HE1 PHE 2 HE1 PHE 2 3.617 6.511 -3.712 19 HE2 PHE 2 HE2 PHE 2 1.384 9.937 -2.395 20 HZ PHE 2 HZ PHE 2 2.308 8.553 -4.238 21 H ILE 3 HN ILE 3 2.579 4.441 2.481 22 HA ILE 3 HA ILE 3 2.606 5.476 5.293 23 HB ILE 3 HB ILE 3 1.957 3.000 5.789 24 1HG1 ILE 3 HG12 ILE 3 0.618 3.008 3.140 25 2HG1 ILE 3 HG11 ILE 3 2.350 2.674 3.123 26 1HG2 ILE 3 HG21 ILE 3 0.376 5.314 4.964 27 2HG2 ILE 3 HG22 ILE 3 0.116 4.204 6.308 28 3HG2 ILE 3 HG23 ILE 3 -0.479 3.796 4.699 29 1HD1 ILE 3 HD11 ILE 3 1.044 1.239 5.281 30 2HD1 ILE 3 HD12 ILE 3 2.031 0.608 3.963 31 3HD1 ILE 3 HD13 ILE 3 0.301 0.854 3.730 32 H ASN 4 HN ASN 4 4.454 4.984 6.431 33 HA ASN 4 HA ASN 4 6.830 4.186 5.066 34 1HB ASN 4 HB2 ASN 4 7.697 4.106 7.455 35 2HB ASN 4 HB1 ASN 4 6.879 5.604 7.009 36 1HD2 ASN 4 HD21 ASN 4 4.917 6.130 8.103 37 2HD2 ASN 4 HD22 ASN 4 4.255 5.167 9.333 38 H ALA 5 HN ALA 5 6.138 2.110 4.090 39 HA ALA 5 HA ALA 5 6.679 -0.161 5.939 40 1HB ALA 5 HB1 ALA 5 4.530 -0.862 5.838 41 2HB ALA 5 HB2 ALA 5 4.588 -0.851 4.076 42 3HB ALA 5 HB3 ALA 5 4.123 0.607 4.951 43 H LYS 6 HN LYS 6 8.720 -0.261 4.793 44 HA LYS 6 HA LYS 6 9.416 -0.189 2.168 45 1HB LYS 6 HB2 LYS 6 10.076 -2.113 4.383 46 2HB LYS 6 HB1 LYS 6 10.819 -2.324 2.798 47 1HG LYS 6 HG2 LYS 6 10.843 0.371 4.142 48 2HG LYS 6 HG1 LYS 6 12.049 -0.847 4.561 49 1HD LYS 6 HD2 LYS 6 13.066 -0.755 2.498 50 2HD LYS 6 HD1 LYS 6 11.567 -0.350 1.660 51 1HE LYS 6 HE2 LYS 6 12.677 1.704 1.561 52 2HE LYS 6 HE1 LYS 6 11.794 1.899 3.087 53 1HZ LYS 6 HZ1 LYS 6 13.640 1.452 4.332 54 2HZ LYS 6 HZ2 LYS 6 14.380 2.210 3.003 55 3HZ LYS 6 HZ3 LYS 6 14.379 0.516 3.126 56 H CYS 7 HN CYS 7 7.647 -0.707 0.759 57 HA CYS 7 HA CYS 7 6.400 -3.350 0.797 58 1HB CYS 7 HB2 CYS 7 5.339 -2.451 -1.288 59 2HB CYS 7 HB1 CYS 7 5.206 -1.342 0.077 60 H ARG 8 HN ARG 8 6.939 -5.112 -0.495 61 HA ARG 8 HA ARG 8 9.441 -4.859 -2.115 62 1HB ARG 8 HB2 ARG 8 8.084 -6.976 -0.492 63 2HB ARG 8 HB1 ARG 8 9.087 -7.497 -1.846 64 1HG ARG 8 HG2 ARG 8 10.446 -5.427 -0.359 65 2HG ARG 8 HG1 ARG 8 9.960 -6.729 0.729 66 1HD ARG 8 HD2 ARG 8 11.656 -8.006 -0.055 67 2HD ARG 8 HD1 ARG 8 10.979 -7.901 -1.693 68 HE ARG 8 HE ARG 8 12.983 -6.025 -0.540 69 1HH1 ARG 8 HH21 ARG 8 12.650 -7.881 -3.162 70 2HH1 ARG 8 HH22 ARG 8 12.730 -6.629 -4.355 71 1HH2 ARG 8 HH11 ARG 8 12.374 -4.054 -2.061 72 2HH2 ARG 8 HH12 ARG 8 12.574 -4.463 -3.733 73 H GLY 9 HN GLY 9 6.036 -5.323 -2.383 74 1HA GLY 9 HA2 GLY 9 6.305 -5.672 -5.296 75 2HA GLY 9 HA1 GLY 9 5.500 -6.995 -4.451 76 H SER 10 HN SER 10 4.353 -5.114 -6.409 77 HA SER 10 HA SER 10 2.743 -3.103 -5.209 78 1HB SER 10 HB2 SER 10 3.175 -4.296 -7.723 79 2HB SER 10 HB1 SER 10 1.449 -4.468 -7.414 80 HG SER 10 HG SER 10 2.338 -2.410 -8.389 81 HA PRO 11 HA PRO 11 -0.733 -6.500 -4.976 82 1HB PRO 11 HB2 PRO 11 0.612 -9.033 -4.724 83 2HB PRO 11 HB1 PRO 11 -0.496 -8.508 -5.996 84 1HG PRO 11 HG2 PRO 11 2.334 -8.890 -6.192 85 2HG PRO 11 HG1 PRO 11 1.228 -8.328 -7.448 86 1HD PRO 11 HD2 PRO 11 3.206 -6.801 -6.005 87 2HD PRO 11 HD1 PRO 11 2.116 -6.236 -7.294 88 H GLU 12 HN GLU 12 2.262 -6.307 -3.308 89 HA GLU 12 HA GLU 12 1.393 -7.692 -0.873 90 1HB GLU 12 HB2 GLU 12 3.770 -6.453 -2.018 91 2HB GLU 12 HB1 GLU 12 3.567 -6.000 -0.326 92 1HG GLU 12 HG2 GLU 12 2.988 -8.669 -0.221 93 2HG GLU 12 HG1 GLU 12 4.198 -8.635 -1.506 94 H CYS 13 HN CYS 13 1.548 -4.357 -2.071 95 HA CYS 13 HA CYS 13 0.913 -3.051 0.416 96 1HB CYS 13 HB2 CYS 13 1.792 -2.242 -1.965 97 2HB CYS 13 HB1 CYS 13 0.072 -1.980 -2.257 98 H LEU 14 HN LEU 14 -1.033 -4.664 -2.040 99 HA LEU 14 HA LEU 14 -3.580 -3.553 -1.556 100 1HB LEU 14 HB2 LEU 14 -2.400 -5.900 -2.753 101 2HB LEU 14 HB1 LEU 14 -3.867 -6.355 -1.886 102 HG LEU 14 HG LEU 14 -4.234 -5.658 -4.294 103 1HD1 LEU 14 HD11 LEU 14 -6.164 -4.158 -3.724 104 2HD1 LEU 14 HD12 LEU 14 -5.547 -4.068 -2.074 105 3HD1 LEU 14 HD13 LEU 14 -6.086 -5.613 -2.730 106 1HD2 LEU 14 HD21 LEU 14 -3.607 -3.602 -5.042 107 2HD2 LEU 14 HD22 LEU 14 -2.531 -3.596 -3.645 108 3HD2 LEU 14 HD23 LEU 14 -4.105 -2.810 -3.548 109 HA PRO 15 HA PRO 15 -4.226 -6.848 1.972 110 1HB PRO 15 HB2 PRO 15 -1.603 -7.655 2.832 111 2HB PRO 15 HB1 PRO 15 -2.873 -8.667 2.140 112 1HG PRO 15 HG2 PRO 15 -0.417 -7.786 0.904 113 2HG PRO 15 HG1 PRO 15 -1.642 -8.878 0.252 114 1HD PRO 15 HD2 PRO 15 -1.095 -6.206 -0.594 115 2HD PRO 15 HD1 PRO 15 -2.430 -7.254 -1.129 116 H LYS 16 HN LYS 16 -1.130 -5.065 1.998 117 HA LYS 16 HA LYS 16 -1.230 -4.257 4.754 118 1HB LYS 16 HB2 LYS 16 0.251 -3.634 2.266 119 2HB LYS 16 HB1 LYS 16 0.254 -2.352 3.478 120 1HG LYS 16 HG2 LYS 16 2.165 -3.855 3.831 121 2HG LYS 16 HG1 LYS 16 1.033 -3.981 5.178 122 1HD LYS 16 HD2 LYS 16 0.238 -6.075 4.484 123 2HD LYS 16 HD1 LYS 16 0.792 -5.842 2.826 124 1HE LYS 16 HE2 LYS 16 3.163 -5.681 4.199 125 2HE LYS 16 HE1 LYS 16 2.273 -6.878 5.161 126 1HZ LYS 16 HZ1 LYS 16 3.387 -7.949 3.302 127 2HZ LYS 16 HZ2 LYS 16 2.602 -6.914 2.205 128 3HZ LYS 16 HZ3 LYS 16 1.703 -8.038 3.109 129 H CYS 17 HN CYS 17 -2.101 -2.481 1.755 130 HA CYS 17 HA CYS 17 -3.011 -0.091 2.970 131 1HB CYS 17 HB2 CYS 17 -3.777 -1.611 0.468 132 2HB CYS 17 HB1 CYS 17 -4.451 -0.025 0.834 133 H LYS 18 HN LYS 18 -4.833 -3.065 2.174 134 HA LYS 18 HA LYS 18 -7.402 -2.252 3.029 135 1HB LYS 18 HB2 LYS 18 -6.642 -4.383 1.854 136 2HB LYS 18 HB1 LYS 18 -6.137 -4.977 3.436 137 1HG LYS 18 HG2 LYS 18 -8.701 -4.061 3.923 138 2HG LYS 18 HG1 LYS 18 -8.834 -4.751 2.306 139 1HD LYS 18 HD2 LYS 18 -8.420 -6.885 3.033 140 2HD LYS 18 HD1 LYS 18 -7.310 -6.349 4.294 141 1HE LYS 18 HE2 LYS 18 -10.214 -5.646 4.580 142 2HE LYS 18 HE1 LYS 18 -9.697 -7.302 4.954 143 1HZ LYS 18 HZ1 LYS 18 -9.417 -6.006 6.919 144 2HZ LYS 18 HZ2 LYS 18 -8.596 -4.782 6.076 145 3HZ LYS 18 HZ3 LYS 18 -7.871 -6.304 6.290 146 H GLU 19 HN GLU 19 -4.675 -3.556 4.913 147 HA GLU 19 HA GLU 19 -6.153 -3.543 7.437 148 1HB GLU 19 HB2 GLU 19 -4.090 -4.942 6.554 149 2HB GLU 19 HB1 GLU 19 -3.159 -3.580 7.176 150 1HG GLU 19 HG2 GLU 19 -4.151 -3.859 9.389 151 2HG GLU 19 HG1 GLU 19 -5.189 -5.153 8.787 152 H ALA 20 HN ALA 20 -4.534 -1.187 5.547 153 HA ALA 20 HA ALA 20 -3.865 0.549 7.860 154 1HB ALA 20 HB1 ALA 20 -2.683 0.058 5.463 155 2HB ALA 20 HB2 ALA 20 -2.453 1.559 6.359 156 3HB ALA 20 HB3 ALA 20 -3.633 1.484 5.051 157 H ILE 21 HN ILE 21 -6.446 0.031 5.632 158 HA ILE 21 HA ILE 21 -7.838 2.434 6.691 159 HB ILE 21 HB ILE 21 -8.512 2.769 4.144 160 1HG1 ILE 21 HG12 ILE 21 -5.731 1.576 3.901 161 2HG1 ILE 21 HG11 ILE 21 -7.206 0.718 3.449 162 1HG2 ILE 21 HG21 ILE 21 -5.800 3.591 5.224 163 2HG2 ILE 21 HG22 ILE 21 -7.324 4.399 5.590 164 3HG2 ILE 21 HG23 ILE 21 -6.699 4.403 3.942 165 1HD1 ILE 21 HD11 ILE 21 -6.263 3.358 2.288 166 2HD1 ILE 21 HD12 ILE 21 -7.759 2.529 1.854 167 3HD1 ILE 21 HD13 ILE 21 -6.202 1.791 1.476 168 H GLY 22 HN GLY 22 -7.985 -0.526 4.725 169 1HA GLY 22 HA2 GLY 22 -9.776 -2.147 5.473 170 2HA GLY 22 HA1 GLY 22 -10.868 -0.763 5.498 171 H LYS 23 HN LYS 23 -9.074 -0.010 2.952 172 HA LYS 23 HA LYS 23 -10.901 -1.438 1.057 173 1HB LYS 23 HB2 LYS 23 -10.934 1.074 1.281 174 2HB LYS 23 HB1 LYS 23 -9.270 1.095 0.696 175 1HG LYS 23 HG2 LYS 23 -10.040 1.051 -1.416 176 2HG LYS 23 HG1 LYS 23 -10.746 -0.533 -1.099 177 1HD LYS 23 HD2 LYS 23 -12.186 1.933 -0.169 178 2HD LYS 23 HD1 LYS 23 -12.300 1.447 -1.862 179 1HE LYS 23 HE2 LYS 23 -14.052 0.175 -1.067 180 2HE LYS 23 HE1 LYS 23 -12.748 -0.950 -0.636 181 1HZ LYS 23 HZ1 LYS 23 -13.799 1.223 1.101 182 2HZ LYS 23 HZ2 LYS 23 -12.546 0.148 1.504 183 3HZ LYS 23 HZ3 LYS 23 -14.129 -0.429 1.293 184 H ALA 24 HN ALA 24 -9.963 -2.952 -0.265 185 HA ALA 24 HA ALA 24 -7.084 -3.400 -0.229 186 1HB ALA 24 HB1 ALA 24 -9.239 -4.576 -2.011 187 2HB ALA 24 HB2 ALA 24 -8.900 -5.139 -0.375 188 3HB ALA 24 HB3 ALA 24 -7.675 -5.294 -1.631 189 H ALA 25 HN ALA 25 -6.635 -1.110 -1.093 190 HA ALA 25 HA ALA 25 -6.306 -1.267 -4.041 191 1HB ALA 25 HB1 ALA 25 -8.509 -0.093 -3.165 192 2HB ALA 25 HB2 ALA 25 -7.584 0.643 -4.472 193 3HB ALA 25 HB3 ALA 25 -7.415 1.246 -2.824 194 H GLY 26 HN GLY 26 -4.080 -1.034 -4.107 195 1HA GLY 26 HA2 GLY 26 -2.818 1.435 -3.510 196 2HA GLY 26 HA1 GLY 26 -2.531 0.350 -2.149 197 H LYS 27 HN LYS 27 -0.329 1.147 -3.516 198 HA LYS 27 HA LYS 27 0.527 -1.373 -4.858 199 1HB LYS 27 HB2 LYS 27 0.644 1.447 -5.960 200 2HB LYS 27 HB1 LYS 27 1.596 0.121 -6.627 201 1HG LYS 27 HG2 LYS 27 -0.200 -0.342 -7.915 202 2HG LYS 27 HG1 LYS 27 -0.965 -0.947 -6.446 203 1HD LYS 27 HD2 LYS 27 -2.537 0.641 -6.818 204 2HD LYS 27 HD1 LYS 27 -1.328 1.780 -6.226 205 1HE LYS 27 HE2 LYS 27 -0.516 1.574 -8.804 206 2HE LYS 27 HE1 LYS 27 -2.257 1.296 -9.008 207 1HZ LYS 27 HZ1 LYS 27 -1.223 3.726 -8.790 208 2HZ LYS 27 HZ2 LYS 27 -1.476 3.394 -7.143 209 3HZ LYS 27 HZ3 LYS 27 -2.777 3.342 -8.233 210 H CYS 28 HN CYS 28 3.079 -0.682 -5.537 211 HA CYS 28 HA CYS 28 4.289 0.285 -2.962 212 1HB CYS 28 HB2 CYS 28 4.588 -2.090 -3.214 213 2HB CYS 28 HB1 CYS 28 5.043 -1.912 -4.909 214 H MET 29 HN MET 29 5.744 1.975 -3.191 215 HA MET 29 HA MET 29 7.064 2.422 -5.818 216 1HB MET 29 HB2 MET 29 4.668 3.643 -5.105 217 2HB MET 29 HB1 MET 29 5.883 4.861 -4.714 218 1HG MET 29 HG2 MET 29 6.844 4.598 -6.993 219 2HG MET 29 HG1 MET 29 5.561 3.450 -7.378 220 1HE MET 29 HE1 MET 29 5.538 5.311 -9.423 221 2HE MET 29 HE2 MET 29 3.953 6.082 -9.439 222 3HE MET 29 HE3 MET 29 4.082 4.359 -9.094 223 H ASN 30 HN ASN 30 9.054 3.442 -5.587 224 HA ASN 30 HA ASN 30 10.986 4.201 -4.458 225 1HB ASN 30 HB2 ASN 30 8.771 5.896 -4.090 226 2HB ASN 30 HB1 ASN 30 9.535 5.784 -2.505 227 1HD2 ASN 30 HD21 ASN 30 9.624 7.592 -5.298 228 2HD2 ASN 30 HD22 ASN 30 11.233 8.129 -5.232 229 H GLY 31 HN GLY 31 9.367 1.839 -3.279 230 1HA GLY 31 HA2 GLY 31 9.940 0.364 -1.509 231 2HA GLY 31 HA1 GLY 31 10.982 1.620 -0.842 232 H LYS 32 HN LYS 32 7.853 2.734 -1.610 233 HA LYS 32 HA LYS 32 7.067 2.536 1.281 234 1HB LYS 32 HB2 LYS 32 6.366 4.660 -0.775 235 2HB LYS 32 HB1 LYS 32 6.055 4.732 0.960 236 1HG LYS 32 HG2 LYS 32 8.647 4.391 1.167 237 2HG LYS 32 HG1 LYS 32 8.671 4.969 -0.499 238 1HD LYS 32 HD2 LYS 32 6.924 6.667 0.992 239 2HD LYS 32 HD1 LYS 32 8.430 6.509 1.895 240 1HE LYS 32 HE2 LYS 32 9.472 6.857 -0.566 241 2HE LYS 32 HE1 LYS 32 7.953 7.752 -0.772 242 1HZ LYS 32 HZ1 LYS 32 9.088 9.376 0.279 243 2HZ LYS 32 HZ2 LYS 32 10.199 8.304 0.990 244 3HZ LYS 32 HZ3 LYS 32 8.660 8.517 1.678 245 H CYS 33 HN CYS 33 4.673 2.401 1.633 246 HA CYS 33 HA CYS 33 3.415 0.790 -0.539 247 1HB CYS 33 HB2 CYS 33 3.631 0.520 2.184 248 2HB CYS 33 HB1 CYS 33 2.018 1.205 2.023 249 H LYS 34 HN LYS 34 1.848 1.687 -1.816 250 HA LYS 34 HA LYS 34 0.817 4.392 -1.135 251 1HB LYS 34 HB2 LYS 34 1.233 2.693 -3.542 252 2HB LYS 34 HB1 LYS 34 -0.135 3.805 -3.604 253 1HG LYS 34 HG2 LYS 34 1.299 5.698 -3.147 254 2HG LYS 34 HG1 LYS 34 2.679 4.638 -2.850 255 1HD LYS 34 HD2 LYS 34 2.930 5.475 -5.088 256 2HD LYS 34 HD1 LYS 34 2.405 3.798 -5.231 257 1HE LYS 34 HE2 LYS 34 0.137 4.458 -5.713 258 2HE LYS 34 HE1 LYS 34 0.487 6.150 -5.305 259 1HZ LYS 34 HZ1 LYS 34 2.123 4.762 -7.319 260 2HZ LYS 34 HZ2 LYS 34 1.813 6.424 -7.149 261 3HZ LYS 34 HZ3 LYS 34 0.615 5.393 -7.769 262 H CYS 35 HN CYS 35 -1.119 4.439 -0.042 263 HA CYS 35 HA CYS 35 -3.146 2.323 -0.709 264 1HB CYS 35 HB2 CYS 35 -2.595 3.744 1.917 265 2HB CYS 35 HB1 CYS 35 -3.846 2.531 1.658 266 H TYR 36 HN TYR 36 -5.141 3.112 -1.327 267 HA TYR 36 HA TYR 36 -5.532 6.079 -1.213 268 1HB TYR 36 HB2 TYR 36 -6.721 3.902 -2.964 269 2HB TYR 36 HB1 TYR 36 -7.071 5.624 -3.119 270 HD1 TYR 36 HD1 TYR 36 -4.362 6.760 -2.556 271 HD2 TYR 36 HD2 TYR 36 -5.562 3.424 -4.980 272 HE1 TYR 36 HE1 TYR 36 -2.335 7.048 -3.956 273 HE2 TYR 36 HE2 TYR 36 -3.535 3.712 -6.380 274 HH TYR 36 HH TYR 36 -1.787 6.357 -6.559 275 HA PRO 37 HA PRO 37 -8.862 5.644 1.640 276 1HB PRO 37 HB2 PRO 37 -10.481 7.604 0.291 277 2HB PRO 37 HB1 PRO 37 -9.483 7.824 1.731 278 1HG PRO 37 HG2 PRO 37 -8.995 8.822 -0.912 279 2HG PRO 37 HG1 PRO 37 -7.993 9.030 0.527 280 1HD PRO 37 HD2 PRO 37 -7.453 7.384 -1.784 281 2HD PRO 37 HD1 PRO 37 -6.443 7.595 -0.332 Start of MODEL 17 1 1H VAL 1 HT1 VAL 1 -2.112 10.843 2.993 2 2H VAL 1 HT2 VAL 1 -1.979 9.868 1.608 3 3H VAL 1 HT3 VAL 1 -0.612 10.174 2.570 4 HA VAL 1 HA VAL 1 -1.822 9.022 4.449 5 HB VAL 1 HB VAL 1 -3.494 8.080 2.105 6 1HG1 VAL 1 HG11 VAL 1 -3.277 7.448 4.975 7 2HG1 VAL 1 HG12 VAL 1 -3.954 6.488 3.660 8 3HG1 VAL 1 HG13 VAL 1 -4.928 7.743 4.426 9 1HG2 VAL 1 HG21 VAL 1 -3.993 10.292 4.113 10 2HG2 VAL 1 HG22 VAL 1 -5.293 9.521 3.204 11 3HG2 VAL 1 HG23 VAL 1 -4.025 10.406 2.354 12 H PHE 2 HN PHE 2 0.578 8.776 3.004 13 HA PHE 2 HA PHE 2 0.600 5.952 2.021 14 1HB PHE 2 HB2 PHE 2 2.429 8.344 1.742 15 2HB PHE 2 HB1 PHE 2 2.932 6.730 1.252 16 HD1 PHE 2 HD1 PHE 2 2.589 9.237 -0.516 17 HD2 PHE 2 HD2 PHE 2 -0.009 5.927 0.362 18 HE1 PHE 2 HE1 PHE 2 1.448 9.549 -2.693 19 HE2 PHE 2 HE2 PHE 2 -1.147 6.245 -1.811 20 HZ PHE 2 HZ PHE 2 -0.419 8.055 -3.341 21 H ILE 3 HN ILE 3 2.663 4.734 2.642 22 HA ILE 3 HA ILE 3 3.563 5.447 5.411 23 HB ILE 3 HB ILE 3 3.330 3.038 5.963 24 1HG1 ILE 3 HG12 ILE 3 2.063 2.851 3.211 25 2HG1 ILE 3 HG11 ILE 3 3.645 2.199 3.641 26 1HG2 ILE 3 HG21 ILE 3 1.084 3.217 6.436 27 2HG2 ILE 3 HG22 ILE 3 0.674 3.741 4.803 28 3HG2 ILE 3 HG23 ILE 3 1.381 4.884 5.944 29 1HD1 ILE 3 HD11 ILE 3 0.990 1.099 4.158 30 2HD1 ILE 3 HD12 ILE 3 1.966 1.204 5.624 31 3HD1 ILE 3 HD13 ILE 3 2.563 0.306 4.229 32 H ASN 4 HN ASN 4 5.767 5.267 5.654 33 HA ASN 4 HA ASN 4 7.404 4.589 3.329 34 1HB ASN 4 HB2 ASN 4 9.204 5.366 4.756 35 2HB ASN 4 HB1 ASN 4 7.818 6.425 5.013 36 1HD2 ASN 4 HD21 ASN 4 10.074 5.685 6.910 37 2HD2 ASN 4 HD22 ASN 4 9.297 5.077 8.292 38 H ALA 5 HN ALA 5 5.969 2.288 4.019 39 HA ALA 5 HA ALA 5 7.783 0.583 5.639 40 1HB ALA 5 HB1 ALA 5 5.387 0.467 6.046 41 2HB ALA 5 HB2 ALA 5 5.889 -1.045 5.289 42 3HB ALA 5 HB3 ALA 5 5.071 0.192 4.333 43 H LYS 6 HN LYS 6 9.578 0.421 4.143 44 HA LYS 6 HA LYS 6 9.602 -0.073 1.416 45 1HB LYS 6 HB2 LYS 6 11.693 -1.410 1.973 46 2HB LYS 6 HB1 LYS 6 11.614 0.185 2.721 47 1HG LYS 6 HG2 LYS 6 11.626 -0.705 4.792 48 2HG LYS 6 HG1 LYS 6 10.309 -1.806 4.384 49 1HD LYS 6 HD2 LYS 6 11.720 -3.540 3.991 50 2HD LYS 6 HD1 LYS 6 12.884 -2.518 3.147 51 1HE LYS 6 HE2 LYS 6 13.966 -1.882 5.141 52 2HE LYS 6 HE1 LYS 6 12.573 -2.327 6.146 53 1HZ LYS 6 HZ1 LYS 6 14.656 -3.942 5.757 54 2HZ LYS 6 HZ2 LYS 6 13.663 -4.436 4.471 55 3HZ LYS 6 HZ3 LYS 6 13.087 -4.507 6.068 56 H CYS 7 HN CYS 7 7.735 -1.362 0.797 57 HA CYS 7 HA CYS 7 7.280 -4.010 1.903 58 1HB CYS 7 HB2 CYS 7 5.502 -4.063 0.332 59 2HB CYS 7 HB1 CYS 7 5.673 -2.354 0.727 60 H ARG 8 HN ARG 8 6.962 -5.681 -0.245 61 HA ARG 8 HA ARG 8 9.712 -5.876 -1.433 62 1HB ARG 8 HB2 ARG 8 8.032 -7.714 0.157 63 2HB ARG 8 HB1 ARG 8 8.771 -8.451 -1.265 64 1HG ARG 8 HG2 ARG 8 10.450 -8.745 0.325 65 2HG ARG 8 HG1 ARG 8 10.940 -7.225 -0.424 66 1HD ARG 8 HD2 ARG 8 10.207 -5.938 1.402 67 2HD ARG 8 HD1 ARG 8 9.108 -7.209 1.975 68 HE ARG 8 HE ARG 8 10.945 -8.056 3.183 69 1HH1 ARG 8 HH11 ARG 8 12.127 -5.671 1.127 70 2HH1 ARG 8 HH12 ARG 8 13.733 -6.311 1.025 71 1HH2 ARG 8 HH21 ARG 8 12.960 -9.241 2.709 72 2HH2 ARG 8 HH22 ARG 8 14.204 -8.331 1.918 73 H GLY 9 HN GLY 9 6.291 -5.908 -1.955 74 1HA GLY 9 HA2 GLY 9 6.746 -6.249 -4.854 75 2HA GLY 9 HA1 GLY 9 5.654 -7.403 -4.091 76 H SER 10 HN SER 10 5.051 -5.328 -6.110 77 HA SER 10 HA SER 10 3.731 -3.063 -5.034 78 1HB SER 10 HB2 SER 10 3.613 -2.794 -7.269 79 2HB SER 10 HB1 SER 10 4.029 -4.488 -7.513 80 HG SER 10 HG SER 10 2.041 -4.429 -8.309 81 HA PRO 11 HA PRO 11 -0.324 -5.749 -5.108 82 1HB PRO 11 HB2 PRO 11 0.488 -8.488 -4.764 83 2HB PRO 11 HB1 PRO 11 -0.388 -7.771 -6.119 84 1HG PRO 11 HG2 PRO 11 2.325 -8.687 -6.079 85 2HG PRO 11 HG1 PRO 11 1.456 -7.935 -7.419 86 1HD PRO 11 HD2 PRO 11 3.560 -6.799 -5.801 87 2HD PRO 11 HD1 PRO 11 2.712 -6.049 -7.174 88 H GLU 12 HN GLU 12 2.534 -6.557 -3.217 89 HA GLU 12 HA GLU 12 1.313 -7.670 -0.902 90 1HB GLU 12 HB2 GLU 12 3.733 -7.605 -1.360 91 2HB GLU 12 HB1 GLU 12 3.723 -5.848 -1.206 92 1HG GLU 12 HG2 GLU 12 4.477 -6.699 0.905 93 2HG GLU 12 HG1 GLU 12 2.810 -6.177 1.148 94 H CYS 13 HN CYS 13 1.455 -4.366 -2.075 95 HA CYS 13 HA CYS 13 0.779 -3.071 0.416 96 1HB CYS 13 HB2 CYS 13 1.791 -2.202 -1.843 97 2HB CYS 13 HB1 CYS 13 0.105 -2.028 -2.328 98 H LEU 14 HN LEU 14 -1.100 -4.750 -2.012 99 HA LEU 14 HA LEU 14 -3.650 -3.560 -1.615 100 1HB LEU 14 HB2 LEU 14 -2.478 -5.930 -2.790 101 2HB LEU 14 HB1 LEU 14 -3.990 -6.343 -1.981 102 HG LEU 14 HG LEU 14 -4.784 -4.090 -3.208 103 1HD1 LEU 14 HD11 LEU 14 -2.356 -5.068 -4.656 104 2HD1 LEU 14 HD12 LEU 14 -2.942 -3.420 -4.439 105 3HD1 LEU 14 HD13 LEU 14 -3.715 -4.482 -5.616 106 1HD2 LEU 14 HD21 LEU 14 -4.895 -6.948 -3.760 107 2HD2 LEU 14 HD22 LEU 14 -5.020 -6.002 -5.243 108 3HD2 LEU 14 HD23 LEU 14 -6.162 -5.732 -3.926 109 HA PRO 15 HA PRO 15 -4.375 -6.854 1.887 110 1HB PRO 15 HB2 PRO 15 -1.780 -7.726 2.770 111 2HB PRO 15 HB1 PRO 15 -3.064 -8.704 2.051 112 1HG PRO 15 HG2 PRO 15 -0.572 -7.903 0.860 113 2HG PRO 15 HG1 PRO 15 -1.845 -8.904 0.155 114 1HD PRO 15 HD2 PRO 15 -1.145 -6.207 -0.550 115 2HD PRO 15 HD1 PRO 15 -2.462 -7.202 -1.213 116 H LYS 16 HN LYS 16 -1.199 -5.207 2.031 117 HA LYS 16 HA LYS 16 -1.272 -4.416 4.762 118 1HB LYS 16 HB2 LYS 16 -0.017 -3.337 2.235 119 2HB LYS 16 HB1 LYS 16 0.265 -2.563 3.795 120 1HG LYS 16 HG2 LYS 16 0.778 -5.494 3.208 121 2HG LYS 16 HG1 LYS 16 2.021 -4.243 3.237 122 1HD LYS 16 HD2 LYS 16 2.220 -4.640 5.448 123 2HD LYS 16 HD1 LYS 16 0.636 -3.888 5.636 124 1HE LYS 16 HE2 LYS 16 -0.054 -5.899 6.449 125 2HE LYS 16 HE1 LYS 16 0.047 -6.484 4.776 126 1HZ LYS 16 HZ1 LYS 16 1.458 -7.852 6.109 127 2HZ LYS 16 HZ2 LYS 16 2.210 -6.501 6.812 128 3HZ LYS 16 HZ3 LYS 16 2.456 -6.854 5.168 129 H CYS 17 HN CYS 17 -2.311 -2.625 1.839 130 HA CYS 17 HA CYS 17 -3.282 -0.299 3.186 131 1HB CYS 17 HB2 CYS 17 -3.850 -1.690 0.567 132 2HB CYS 17 HB1 CYS 17 -4.687 -0.199 1.000 133 H LYS 18 HN LYS 18 -4.908 -3.329 2.230 134 HA LYS 18 HA LYS 18 -7.560 -2.694 2.979 135 1HB LYS 18 HB2 LYS 18 -6.509 -4.749 1.806 136 2HB LYS 18 HB1 LYS 18 -6.220 -5.367 3.432 137 1HG LYS 18 HG2 LYS 18 -8.638 -5.136 3.935 138 2HG LYS 18 HG1 LYS 18 -8.914 -4.575 2.284 139 1HD LYS 18 HD2 LYS 18 -9.118 -6.722 1.645 140 2HD LYS 18 HD1 LYS 18 -7.417 -6.958 2.052 141 1HE LYS 18 HE2 LYS 18 -8.835 -8.582 3.272 142 2HE LYS 18 HE1 LYS 18 -8.084 -7.450 4.413 143 1HZ LYS 18 HZ1 LYS 18 -10.720 -7.878 4.285 144 2HZ LYS 18 HZ2 LYS 18 -10.574 -6.560 3.223 145 3HZ LYS 18 HZ3 LYS 18 -10.030 -6.426 4.828 146 H GLU 19 HN GLU 19 -4.771 -3.571 4.946 147 HA GLU 19 HA GLU 19 -6.402 -3.847 7.399 148 1HB GLU 19 HB2 GLU 19 -3.576 -4.269 6.511 149 2HB GLU 19 HB1 GLU 19 -3.870 -4.024 8.234 150 1HG GLU 19 HG2 GLU 19 -5.864 -5.815 7.428 151 2HG GLU 19 HG1 GLU 19 -4.408 -6.366 6.599 152 H ALA 20 HN ALA 20 -4.567 -1.415 5.725 153 HA ALA 20 HA ALA 20 -4.145 0.263 8.109 154 1HB ALA 20 HB1 ALA 20 -2.787 -0.052 5.841 155 2HB ALA 20 HB2 ALA 20 -2.822 1.510 6.658 156 3HB ALA 20 HB3 ALA 20 -3.880 1.213 5.279 157 H ILE 21 HN ILE 21 -5.917 0.705 5.018 158 HA ILE 21 HA ILE 21 -7.672 2.698 6.377 159 HB ILE 21 HB ILE 21 -8.115 3.464 4.144 160 1HG1 ILE 21 HG12 ILE 21 -6.834 0.860 3.249 161 2HG1 ILE 21 HG11 ILE 21 -8.535 1.296 3.093 162 1HG2 ILE 21 HG21 ILE 21 -5.598 3.434 5.199 163 2HG2 ILE 21 HG22 ILE 21 -6.026 4.269 3.705 164 3HG2 ILE 21 HG23 ILE 21 -5.312 2.658 3.641 165 1HD1 ILE 21 HD11 ILE 21 -8.088 2.946 1.465 166 2HD1 ILE 21 HD12 ILE 21 -7.010 1.622 1.020 167 3HD1 ILE 21 HD13 ILE 21 -6.377 3.022 1.886 168 H GLY 22 HN GLY 22 -7.818 -0.283 4.422 169 1HA GLY 22 HA2 GLY 22 -9.456 -2.024 4.921 170 2HA GLY 22 HA1 GLY 22 -10.533 -0.775 5.549 171 H LYS 23 HN LYS 23 -8.754 -0.474 2.518 172 HA LYS 23 HA LYS 23 -11.345 -0.776 1.042 173 1HB LYS 23 HB2 LYS 23 -9.247 1.388 1.022 174 2HB LYS 23 HB1 LYS 23 -10.295 1.146 -0.376 175 1HG LYS 23 HG2 LYS 23 -11.221 1.662 2.465 176 2HG LYS 23 HG1 LYS 23 -11.270 2.821 1.135 177 1HD LYS 23 HD2 LYS 23 -12.558 0.661 0.034 178 2HD LYS 23 HD1 LYS 23 -13.065 0.557 1.720 179 1HE LYS 23 HE2 LYS 23 -13.690 3.008 1.602 180 2HE LYS 23 HE1 LYS 23 -13.391 2.928 -0.146 181 1HZ LYS 23 HZ1 LYS 23 -15.347 1.365 1.441 182 2HZ LYS 23 HZ2 LYS 23 -14.875 0.904 -0.125 183 3HZ LYS 23 HZ3 LYS 23 -15.655 2.393 0.128 184 H ALA 24 HN ALA 24 -8.225 -1.883 1.407 185 HA ALA 24 HA ALA 24 -6.694 -3.004 -0.031 186 1HB ALA 24 HB1 ALA 24 -8.017 -4.720 -1.367 187 2HB ALA 24 HB2 ALA 24 -9.478 -3.892 -0.830 188 3HB ALA 24 HB3 ALA 24 -8.409 -4.650 0.351 189 H ALA 25 HN ALA 25 -6.615 -0.555 -1.040 190 HA ALA 25 HA ALA 25 -6.706 -0.979 -3.978 191 1HB ALA 25 HB1 ALA 25 -7.816 1.596 -2.987 192 2HB ALA 25 HB2 ALA 25 -8.821 0.170 -2.730 193 3HB ALA 25 HB3 ALA 25 -8.320 0.613 -4.362 194 H GLY 26 HN GLY 26 -4.324 -0.922 -3.554 195 1HA GLY 26 HA2 GLY 26 -3.281 1.786 -3.848 196 2HA GLY 26 HA1 GLY 26 -2.832 1.040 -2.315 197 H LYS 27 HN LYS 27 -0.651 1.475 -3.561 198 HA LYS 27 HA LYS 27 0.194 -1.141 -4.691 199 1HB LYS 27 HB2 LYS 27 0.837 1.461 -6.092 200 2HB LYS 27 HB1 LYS 27 0.979 -0.180 -6.722 201 1HG LYS 27 HG2 LYS 27 -1.483 -0.417 -6.643 202 2HG LYS 27 HG1 LYS 27 -1.614 1.238 -6.046 203 1HD LYS 27 HD2 LYS 27 -0.149 1.766 -8.200 204 2HD LYS 27 HD1 LYS 27 -0.871 0.261 -8.773 205 1HE LYS 27 HE2 LYS 27 -2.734 1.435 -9.305 206 2HE LYS 27 HE1 LYS 27 -2.974 1.751 -7.575 207 1HZ LYS 27 HZ1 LYS 27 -1.345 3.577 -7.773 208 2HZ LYS 27 HZ2 LYS 27 -2.738 3.838 -8.709 209 3HZ LYS 27 HZ3 LYS 27 -1.296 3.332 -9.450 210 H CYS 28 HN CYS 28 2.752 -0.771 -5.241 211 HA CYS 28 HA CYS 28 3.886 0.709 -2.894 212 1HB CYS 28 HB2 CYS 28 3.810 -1.958 -3.172 213 2HB CYS 28 HB1 CYS 28 5.282 -1.639 -4.092 214 H MET 29 HN MET 29 5.330 2.274 -3.450 215 HA MET 29 HA MET 29 6.932 1.970 -5.947 216 1HB MET 29 HB2 MET 29 4.612 3.556 -5.673 217 2HB MET 29 HB1 MET 29 5.968 4.682 -5.609 218 1HG MET 29 HG2 MET 29 6.553 2.799 -7.654 219 2HG MET 29 HG1 MET 29 4.886 3.323 -7.896 220 1HE MET 29 HE1 MET 29 4.031 5.150 -8.223 221 2HE MET 29 HE2 MET 29 4.746 5.938 -9.629 222 3HE MET 29 HE3 MET 29 4.679 6.791 -8.088 223 H ASN 30 HN ASN 30 8.869 3.309 -5.904 224 HA ASN 30 HA ASN 30 10.734 4.253 -4.795 225 1HB ASN 30 HB2 ASN 30 8.309 5.684 -4.183 226 2HB ASN 30 HB1 ASN 30 9.375 5.730 -2.779 227 1HD2 ASN 30 HD21 ASN 30 11.446 6.820 -3.004 228 2HD2 ASN 30 HD22 ASN 30 11.799 7.797 -4.347 229 H GLY 31 HN GLY 31 9.193 1.779 -3.617 230 1HA GLY 31 HA2 GLY 31 9.786 0.289 -1.882 231 2HA GLY 31 HA1 GLY 31 10.931 1.494 -1.290 232 H LYS 32 HN LYS 32 7.417 1.818 -1.821 233 HA LYS 32 HA LYS 32 6.955 1.912 1.104 234 1HB LYS 32 HB2 LYS 32 6.404 4.258 -0.747 235 2HB LYS 32 HB1 LYS 32 6.109 4.212 0.991 236 1HG LYS 32 HG2 LYS 32 8.569 3.813 1.328 237 2HG LYS 32 HG1 LYS 32 8.796 4.074 -0.402 238 1HD LYS 32 HD2 LYS 32 8.805 6.298 -0.077 239 2HD LYS 32 HD1 LYS 32 7.186 6.208 0.616 240 1HE LYS 32 HE2 LYS 32 7.979 6.453 2.732 241 2HE LYS 32 HE1 LYS 32 9.272 5.266 2.463 242 1HZ LYS 32 HZ1 LYS 32 10.414 7.271 2.630 243 2HZ LYS 32 HZ2 LYS 32 9.231 8.139 1.774 244 3HZ LYS 32 HZ3 LYS 32 10.258 7.063 0.953 245 H CYS 33 HN CYS 33 4.611 2.001 1.591 246 HA CYS 33 HA CYS 33 3.010 0.630 -0.493 247 1HB CYS 33 HB2 CYS 33 3.346 0.398 2.229 248 2HB CYS 33 HB1 CYS 33 1.842 1.310 2.133 249 H LYS 34 HN LYS 34 1.357 1.668 -1.614 250 HA LYS 34 HA LYS 34 0.621 4.439 -0.720 251 1HB LYS 34 HB2 LYS 34 0.958 3.198 -3.465 252 2HB LYS 34 HB1 LYS 34 0.253 4.794 -3.204 253 1HG LYS 34 HG2 LYS 34 2.264 5.745 -2.736 254 2HG LYS 34 HG1 LYS 34 2.817 4.347 -1.814 255 1HD LYS 34 HD2 LYS 34 4.219 4.320 -3.700 256 2HD LYS 34 HD1 LYS 34 2.958 3.164 -4.127 257 1HE LYS 34 HE2 LYS 34 2.082 5.797 -4.892 258 2HE LYS 34 HE1 LYS 34 3.697 5.499 -5.568 259 1HZ LYS 34 HZ1 LYS 34 1.281 3.798 -5.815 260 2HZ LYS 34 HZ2 LYS 34 2.841 3.230 -6.174 261 3HZ LYS 34 HZ3 LYS 34 2.176 4.516 -7.064 262 H CYS 35 HN CYS 35 -1.326 3.949 0.357 263 HA CYS 35 HA CYS 35 -3.314 2.162 -0.897 264 1HB CYS 35 HB2 CYS 35 -3.428 3.893 1.595 265 2HB CYS 35 HB1 CYS 35 -4.509 2.557 1.203 266 H TYR 36 HN TYR 36 -5.484 2.939 -1.445 267 HA TYR 36 HA TYR 36 -5.733 5.894 -1.812 268 1HB TYR 36 HB2 TYR 36 -6.056 3.703 -3.885 269 2HB TYR 36 HB1 TYR 36 -6.555 5.376 -4.144 270 HD1 TYR 36 HD1 TYR 36 -4.069 3.246 -5.016 271 HD2 TYR 36 HD2 TYR 36 -4.535 7.029 -3.041 272 HE1 TYR 36 HE1 TYR 36 -1.741 3.849 -5.623 273 HE2 TYR 36 HE2 TYR 36 -2.210 7.634 -3.647 274 HH TYR 36 HH TYR 36 -0.415 5.954 -5.951 275 HA PRO 37 HA PRO 37 -9.780 5.073 -0.181 276 1HB PRO 37 HB2 PRO 37 -10.871 7.359 -1.539 277 2HB PRO 37 HB1 PRO 37 -10.393 7.228 0.156 278 1HG PRO 37 HG2 PRO 37 -9.078 8.696 -1.923 279 2HG PRO 37 HG1 PRO 37 -8.590 8.535 -0.235 280 1HD PRO 37 HD2 PRO 37 -7.357 7.344 -2.565 281 2HD PRO 37 HD1 PRO 37 -6.843 7.215 -0.865 Start of MODEL 18 1 1H VAL 1 HT1 VAL 1 -2.250 10.427 1.031 2 2H VAL 1 HT2 VAL 1 -2.504 9.154 -0.065 3 3H VAL 1 HT3 VAL 1 -0.943 9.469 0.529 4 HA VAL 1 HA VAL 1 -2.081 9.045 2.841 5 HB VAL 1 HB VAL 1 -3.753 7.514 0.819 6 1HG1 VAL 1 HG11 VAL 1 -5.106 7.363 3.142 7 2HG1 VAL 1 HG12 VAL 1 -3.467 7.479 3.785 8 3HG1 VAL 1 HG13 VAL 1 -3.890 6.172 2.680 9 1HG2 VAL 1 HG21 VAL 1 -5.543 9.056 2.048 10 2HG2 VAL 1 HG22 VAL 1 -4.648 9.647 0.649 11 3HG2 VAL 1 HG23 VAL 1 -4.142 10.102 2.275 12 H PHE 2 HN PHE 2 0.350 8.489 1.967 13 HA PHE 2 HA PHE 2 0.516 5.560 1.391 14 1HB PHE 2 HB2 PHE 2 2.521 7.834 1.216 15 2HB PHE 2 HB1 PHE 2 2.856 6.166 0.758 16 HD1 PHE 2 HD1 PHE 2 -0.396 6.263 -0.102 17 HD2 PHE 2 HD2 PHE 2 3.280 8.155 -1.273 18 HE1 PHE 2 HE1 PHE 2 -1.336 6.696 -2.356 19 HE2 PHE 2 HE2 PHE 2 2.338 8.587 -3.526 20 HZ PHE 2 HZ PHE 2 0.031 7.857 -4.068 21 H ILE 3 HN ILE 3 2.580 4.568 2.499 22 HA ILE 3 HA ILE 3 2.960 5.647 5.256 23 HB ILE 3 HB ILE 3 2.653 3.175 5.981 24 1HG1 ILE 3 HG12 ILE 3 0.926 2.998 3.528 25 2HG1 ILE 3 HG11 ILE 3 2.630 2.554 3.422 26 1HG2 ILE 3 HG21 ILE 3 0.494 5.070 5.095 27 2HG2 ILE 3 HG22 ILE 3 0.994 4.642 6.731 28 3HG2 ILE 3 HG23 ILE 3 0.059 3.499 5.768 29 1HD1 ILE 3 HD11 ILE 3 1.719 1.329 5.773 30 2HD1 ILE 3 HD12 ILE 3 2.058 0.531 4.238 31 3HD1 ILE 3 HD13 ILE 3 0.423 1.080 4.605 32 H ASN 4 HN ASN 4 4.958 4.984 6.209 33 HA ASN 4 HA ASN 4 7.165 4.576 4.442 34 1HB ASN 4 HB2 ASN 4 8.421 4.485 6.491 35 2HB ASN 4 HB1 ASN 4 7.070 5.583 6.782 36 1HD2 ASN 4 HD21 ASN 4 8.704 3.331 8.419 37 2HD2 ASN 4 HD22 ASN 4 7.455 2.581 9.289 38 H ALA 5 HN ALA 5 4.856 2.335 5.577 39 HA ALA 5 HA ALA 5 6.100 -0.050 6.144 40 1HB ALA 5 HB1 ALA 5 3.931 0.324 4.056 41 2HB ALA 5 HB2 ALA 5 3.651 0.433 5.794 42 3HB ALA 5 HB3 ALA 5 4.178 -1.090 5.079 43 H LYS 6 HN LYS 6 8.159 -0.369 5.188 44 HA LYS 6 HA LYS 6 8.987 0.053 2.557 45 1HB LYS 6 HB2 LYS 6 9.613 -2.147 4.548 46 2HB LYS 6 HB1 LYS 6 10.541 -1.898 3.069 47 1HG LYS 6 HG2 LYS 6 10.074 0.477 4.816 48 2HG LYS 6 HG1 LYS 6 11.238 -0.728 5.371 49 1HD LYS 6 HD2 LYS 6 12.267 -0.579 3.022 50 2HD LYS 6 HD1 LYS 6 11.295 0.877 2.812 51 1HE LYS 6 HE2 LYS 6 12.602 1.025 5.368 52 2HE LYS 6 HE1 LYS 6 13.813 0.667 4.120 53 1HZ LYS 6 HZ1 LYS 6 13.099 2.480 2.823 54 2HZ LYS 6 HZ2 LYS 6 13.221 3.090 4.404 55 3HZ LYS 6 HZ3 LYS 6 11.698 2.709 3.751 56 H CYS 7 HN CYS 7 7.401 -0.457 0.972 57 HA CYS 7 HA CYS 7 6.076 -3.051 0.881 58 1HB CYS 7 HB2 CYS 7 5.094 -2.143 -1.122 59 2HB CYS 7 HB1 CYS 7 5.256 -0.800 0.009 60 H ARG 8 HN ARG 8 6.534 -4.761 -0.604 61 HA ARG 8 HA ARG 8 9.238 -4.617 -1.902 62 1HB ARG 8 HB2 ARG 8 7.794 -6.765 -0.344 63 2HB ARG 8 HB1 ARG 8 9.138 -7.163 -1.415 64 1HG ARG 8 HG2 ARG 8 10.515 -5.439 -0.182 65 2HG ARG 8 HG1 ARG 8 9.193 -5.304 0.978 66 1HD ARG 8 HD2 ARG 8 9.897 -8.097 0.499 67 2HD ARG 8 HD1 ARG 8 11.280 -7.160 1.099 68 HE ARG 8 HE ARG 8 9.792 -6.379 2.963 69 1HH1 ARG 8 HH21 ARG 8 8.089 -8.453 0.911 70 2HH1 ARG 8 HH22 ARG 8 7.399 -9.411 2.178 71 1HH2 ARG 8 HH11 ARG 8 9.251 -7.898 4.691 72 2HH2 ARG 8 HH12 ARG 8 8.056 -9.096 4.320 73 H GLY 9 HN GLY 9 5.885 -5.063 -2.368 74 1HA GLY 9 HA2 GLY 9 6.268 -5.604 -5.205 75 2HA GLY 9 HA1 GLY 9 5.577 -6.977 -4.340 76 H SER 10 HN SER 10 4.414 -5.045 -6.377 77 HA SER 10 HA SER 10 2.550 -3.246 -5.334 78 1HB SER 10 HB2 SER 10 3.120 -4.543 -7.754 79 2HB SER 10 HB1 SER 10 1.427 -4.909 -7.439 80 HG SER 10 HG SER 10 2.494 -2.644 -8.312 81 HA PRO 11 HA PRO 11 -0.593 -6.916 -4.825 82 1HB PRO 11 HB2 PRO 11 0.965 -9.305 -4.430 83 2HB PRO 11 HB1 PRO 11 -0.185 -8.955 -5.724 84 1HG PRO 11 HG2 PRO 11 2.661 -9.121 -5.924 85 2HG PRO 11 HG1 PRO 11 1.514 -8.707 -7.200 86 1HD PRO 11 HD2 PRO 11 3.367 -6.962 -5.820 87 2HD PRO 11 HD1 PRO 11 2.270 -6.558 -7.162 88 H GLU 12 HN GLU 12 2.349 -6.293 -3.204 89 HA GLU 12 HA GLU 12 1.587 -7.608 -0.673 90 1HB GLU 12 HB2 GLU 12 3.934 -6.761 -1.961 91 2HB GLU 12 HB1 GLU 12 3.768 -5.683 -0.576 92 1HG GLU 12 HG2 GLU 12 4.419 -7.321 0.817 93 2HG GLU 12 HG1 GLU 12 3.116 -8.359 0.241 94 H CYS 13 HN CYS 13 1.702 -4.331 -2.052 95 HA CYS 13 HA CYS 13 1.055 -2.977 0.431 96 1HB CYS 13 HB2 CYS 13 2.178 -2.111 -1.727 97 2HB CYS 13 HB1 CYS 13 0.544 -1.992 -2.381 98 H LEU 14 HN LEU 14 -0.873 -4.113 -2.360 99 HA LEU 14 HA LEU 14 -3.350 -2.978 -1.863 100 1HB LEU 14 HB2 LEU 14 -2.255 -5.326 -3.138 101 2HB LEU 14 HB1 LEU 14 -3.798 -5.726 -2.386 102 HG LEU 14 HG LEU 14 -4.108 -3.183 -3.620 103 1HD1 LEU 14 HD11 LEU 14 -2.998 -5.269 -5.520 104 2HD1 LEU 14 HD12 LEU 14 -2.086 -3.872 -4.950 105 3HD1 LEU 14 HD13 LEU 14 -3.533 -3.638 -5.931 106 1HD2 LEU 14 HD21 LEU 14 -5.929 -4.241 -4.674 107 2HD2 LEU 14 HD22 LEU 14 -5.699 -5.217 -3.222 108 3HD2 LEU 14 HD23 LEU 14 -5.089 -5.788 -4.775 109 HA PRO 15 HA PRO 15 -4.343 -6.392 1.448 110 1HB PRO 15 HB2 PRO 15 -1.826 -7.421 2.385 111 2HB PRO 15 HB1 PRO 15 -3.121 -8.302 1.570 112 1HG PRO 15 HG2 PRO 15 -0.553 -7.578 0.518 113 2HG PRO 15 HG1 PRO 15 -1.850 -8.459 -0.294 114 1HD PRO 15 HD2 PRO 15 -0.972 -5.760 -0.788 115 2HD PRO 15 HD1 PRO 15 -2.286 -6.651 -1.592 116 H LYS 16 HN LYS 16 -1.076 -4.966 1.861 117 HA LYS 16 HA LYS 16 -1.202 -4.305 4.598 118 1HB LYS 16 HB2 LYS 16 0.089 -3.040 2.172 119 2HB LYS 16 HB1 LYS 16 0.377 -2.421 3.798 120 1HG LYS 16 HG2 LYS 16 1.267 -4.551 4.522 121 2HG LYS 16 HG1 LYS 16 0.812 -5.310 2.996 122 1HD LYS 16 HD2 LYS 16 2.422 -4.033 1.771 123 2HD LYS 16 HD1 LYS 16 2.714 -2.963 3.141 124 1HE LYS 16 HE2 LYS 16 3.187 -5.622 4.053 125 2HE LYS 16 HE1 LYS 16 4.054 -5.421 2.517 126 1HZ LYS 16 HZ1 LYS 16 5.361 -4.583 4.389 127 2HZ LYS 16 HZ2 LYS 16 4.112 -3.503 4.788 128 3HZ LYS 16 HZ3 LYS 16 4.949 -3.334 3.318 129 H CYS 17 HN CYS 17 -2.306 -2.414 1.778 130 HA CYS 17 HA CYS 17 -3.183 -0.101 3.212 131 1HB CYS 17 HB2 CYS 17 -4.252 -1.352 0.660 132 2HB CYS 17 HB1 CYS 17 -4.414 0.339 1.132 133 H LYS 18 HN LYS 18 -4.840 -3.131 2.350 134 HA LYS 18 HA LYS 18 -7.462 -2.421 3.229 135 1HB LYS 18 HB2 LYS 18 -6.793 -4.384 1.840 136 2HB LYS 18 HB1 LYS 18 -6.039 -5.104 3.264 137 1HG LYS 18 HG2 LYS 18 -8.053 -5.619 4.240 138 2HG LYS 18 HG1 LYS 18 -8.868 -4.217 3.545 139 1HD LYS 18 HD2 LYS 18 -9.451 -5.334 1.644 140 2HD LYS 18 HD1 LYS 18 -7.932 -6.231 1.589 141 1HE LYS 18 HE2 LYS 18 -9.046 -7.324 3.821 142 2HE LYS 18 HE1 LYS 18 -10.502 -6.970 2.869 143 1HZ LYS 18 HZ1 LYS 18 -9.950 -8.860 1.803 144 2HZ LYS 18 HZ2 LYS 18 -8.326 -8.803 2.299 145 3HZ LYS 18 HZ3 LYS 18 -8.846 -7.871 0.978 146 H GLU 19 HN GLU 19 -4.580 -3.400 4.981 147 HA GLU 19 HA GLU 19 -6.040 -3.933 7.484 148 1HB GLU 19 HB2 GLU 19 -3.510 -4.494 6.294 149 2HB GLU 19 HB1 GLU 19 -3.204 -3.618 7.795 150 1HG GLU 19 HG2 GLU 19 -5.255 -5.428 8.421 151 2HG GLU 19 HG1 GLU 19 -4.121 -6.346 7.428 152 H ALA 20 HN ALA 20 -4.133 -1.314 6.044 153 HA ALA 20 HA ALA 20 -4.254 0.258 8.562 154 1HB ALA 20 HB1 ALA 20 -2.200 0.672 7.659 155 2HB ALA 20 HB2 ALA 20 -3.066 1.813 6.632 156 3HB ALA 20 HB3 ALA 20 -2.716 0.188 6.044 157 H ILE 21 HN ILE 21 -5.935 -0.063 5.553 158 HA ILE 21 HA ILE 21 -7.459 2.452 6.154 159 HB ILE 21 HB ILE 21 -6.712 1.286 3.452 160 1HG1 ILE 21 HG12 ILE 21 -5.626 3.824 4.669 161 2HG1 ILE 21 HG11 ILE 21 -4.849 2.270 4.971 162 1HG2 ILE 21 HG21 ILE 21 -8.831 2.704 3.673 163 2HG2 ILE 21 HG22 ILE 21 -7.631 3.280 2.516 164 3HG2 ILE 21 HG23 ILE 21 -7.768 4.045 4.098 165 1HD1 ILE 21 HD11 ILE 21 -3.743 2.599 3.030 166 2HD1 ILE 21 HD12 ILE 21 -4.812 3.922 2.562 167 3HD1 ILE 21 HD13 ILE 21 -5.275 2.253 2.227 168 H GLY 22 HN GLY 22 -7.551 -0.713 4.483 169 1HA GLY 22 HA2 GLY 22 -9.329 -2.319 4.813 170 2HA GLY 22 HA1 GLY 22 -10.368 -1.009 5.377 171 H LYS 23 HN LYS 23 -8.411 -0.926 2.424 172 HA LYS 23 HA LYS 23 -10.935 -1.104 0.820 173 1HB LYS 23 HB2 LYS 23 -9.527 1.214 1.436 174 2HB LYS 23 HB1 LYS 23 -8.937 0.796 -0.173 175 1HG LYS 23 HG2 LYS 23 -11.748 0.372 -0.183 176 2HG LYS 23 HG1 LYS 23 -11.464 1.949 0.553 177 1HD LYS 23 HD2 LYS 23 -11.016 2.830 -1.465 178 2HD LYS 23 HD1 LYS 23 -9.706 1.670 -1.691 179 1HE LYS 23 HE2 LYS 23 -11.034 0.989 -3.452 180 2HE LYS 23 HE1 LYS 23 -11.848 0.059 -2.177 181 1HZ LYS 23 HZ1 LYS 23 -13.218 2.087 -1.762 182 2HZ LYS 23 HZ2 LYS 23 -13.505 1.348 -3.264 183 3HZ LYS 23 HZ3 LYS 23 -12.568 2.762 -3.175 184 H ALA 24 HN ALA 24 -7.926 -2.368 1.365 185 HA ALA 24 HA ALA 24 -6.333 -3.505 0.014 186 1HB ALA 24 HB1 ALA 24 -8.419 -4.530 -1.750 187 2HB ALA 24 HB2 ALA 24 -8.941 -4.508 -0.065 188 3HB ALA 24 HB3 ALA 24 -7.479 -5.382 -0.526 189 H ALA 25 HN ALA 25 -6.502 -0.843 -0.874 190 HA ALA 25 HA ALA 25 -6.267 -1.203 -3.841 191 1HB ALA 25 HB1 ALA 25 -7.535 1.059 -2.262 192 2HB ALA 25 HB2 ALA 25 -8.382 -0.103 -3.283 193 3HB ALA 25 HB3 ALA 25 -7.291 1.078 -4.009 194 H GLY 26 HN GLY 26 -4.037 -1.039 -4.078 195 1HA GLY 26 HA2 GLY 26 -2.713 1.438 -3.883 196 2HA GLY 26 HA1 GLY 26 -2.358 0.569 -2.389 197 H LYS 27 HN LYS 27 -0.158 0.995 -3.742 198 HA LYS 27 HA LYS 27 0.516 -1.660 -4.912 199 1HB LYS 27 HB2 LYS 27 0.862 1.059 -6.215 200 2HB LYS 27 HB1 LYS 27 1.674 -0.399 -6.790 201 1HG LYS 27 HG2 LYS 27 -0.185 -0.680 -8.063 202 2HG LYS 27 HG1 LYS 27 -0.921 -1.265 -6.572 203 1HD LYS 27 HD2 LYS 27 -2.426 0.402 -6.817 204 2HD LYS 27 HD1 LYS 27 -1.124 1.501 -6.357 205 1HE LYS 27 HE2 LYS 27 -0.826 0.812 -9.141 206 2HE LYS 27 HE1 LYS 27 -2.471 1.414 -8.850 207 1HZ LYS 27 HZ1 LYS 27 -1.185 3.336 -9.113 208 2HZ LYS 27 HZ2 LYS 27 0.104 2.720 -8.194 209 3HZ LYS 27 HZ3 LYS 27 -1.344 3.176 -7.433 210 H CYS 28 HN CYS 28 3.124 -1.091 -5.663 211 HA CYS 28 HA CYS 28 4.364 -0.010 -3.152 212 1HB CYS 28 HB2 CYS 28 4.500 -2.399 -3.090 213 2HB CYS 28 HB1 CYS 28 4.942 -2.487 -4.796 214 H MET 29 HN MET 29 5.669 1.705 -3.629 215 HA MET 29 HA MET 29 7.340 1.638 -6.083 216 1HB MET 29 HB2 MET 29 4.896 2.798 -6.174 217 2HB MET 29 HB1 MET 29 5.843 4.157 -5.570 218 1HG MET 29 HG2 MET 29 6.040 4.413 -7.890 219 2HG MET 29 HG1 MET 29 7.506 3.518 -7.487 220 1HE MET 29 HE1 MET 29 7.398 2.626 -10.422 221 2HE MET 29 HE2 MET 29 7.594 0.969 -9.857 222 3HE MET 29 HE3 MET 29 8.277 2.296 -8.923 223 H ASN 30 HN ASN 30 9.329 2.564 -5.656 224 HA ASN 30 HA ASN 30 11.019 3.739 -4.490 225 1HB ASN 30 HB2 ASN 30 8.507 5.228 -4.272 226 2HB ASN 30 HB1 ASN 30 9.597 5.551 -2.923 227 1HD2 ASN 30 HD21 ASN 30 11.838 6.301 -3.502 228 2HD2 ASN 30 HD22 ASN 30 12.084 7.117 -4.969 229 H GLY 31 HN GLY 31 9.680 1.337 -3.298 230 1HA GLY 31 HA2 GLY 31 9.790 0.149 -1.278 231 2HA GLY 31 HA1 GLY 31 10.933 1.374 -0.729 232 H LYS 32 HN LYS 32 7.629 2.069 -1.760 233 HA LYS 32 HA LYS 32 6.880 2.589 1.092 234 1HB LYS 32 HB2 LYS 32 6.303 4.442 -1.233 235 2HB LYS 32 HB1 LYS 32 6.124 4.787 0.488 236 1HG LYS 32 HG2 LYS 32 8.748 4.084 0.404 237 2HG LYS 32 HG1 LYS 32 8.560 4.804 -1.196 238 1HD LYS 32 HD2 LYS 32 7.327 6.718 0.099 239 2HD LYS 32 HD1 LYS 32 8.178 6.073 1.503 240 1HE LYS 32 HE2 LYS 32 10.314 6.517 0.553 241 2HE LYS 32 HE1 LYS 32 9.630 6.748 -1.068 242 1HZ LYS 32 HZ1 LYS 32 10.027 8.884 -0.020 243 2HZ LYS 32 HZ2 LYS 32 9.080 8.435 1.317 244 3HZ LYS 32 HZ3 LYS 32 8.360 8.632 -0.210 245 H CYS 33 HN CYS 33 4.599 2.407 1.489 246 HA CYS 33 HA CYS 33 3.151 0.775 -0.521 247 1HB CYS 33 HB2 CYS 33 3.425 0.712 2.207 248 2HB CYS 33 HB1 CYS 33 1.878 1.541 2.037 249 H LYS 34 HN LYS 34 1.881 1.856 -1.989 250 HA LYS 34 HA LYS 34 0.835 4.557 -1.271 251 1HB LYS 34 HB2 LYS 34 0.911 3.075 -3.918 252 2HB LYS 34 HB1 LYS 34 0.597 4.795 -3.685 253 1HG LYS 34 HG2 LYS 34 2.982 4.495 -2.368 254 2HG LYS 34 HG1 LYS 34 3.160 3.339 -3.688 255 1HD LYS 34 HD2 LYS 34 2.205 6.170 -4.147 256 2HD LYS 34 HD1 LYS 34 3.916 5.736 -4.180 257 1HE LYS 34 HE2 LYS 34 3.715 4.886 -6.271 258 2HE LYS 34 HE1 LYS 34 2.343 3.873 -5.775 259 1HZ LYS 34 HZ1 LYS 34 2.243 6.769 -6.444 260 2HZ LYS 34 HZ2 LYS 34 0.933 5.864 -5.850 261 3HZ LYS 34 HZ3 LYS 34 1.597 5.503 -7.372 262 H CYS 35 HN CYS 35 -1.115 4.240 -0.173 263 HA CYS 35 HA CYS 35 -3.109 2.384 -1.428 264 1HB CYS 35 HB2 CYS 35 -3.146 3.546 1.368 265 2HB CYS 35 HB1 CYS 35 -4.004 2.128 0.772 266 H TYR 36 HN TYR 36 -5.422 3.188 -1.208 267 HA TYR 36 HA TYR 36 -5.523 6.155 -1.640 268 1HB TYR 36 HB2 TYR 36 -6.724 3.759 -2.919 269 2HB TYR 36 HB1 TYR 36 -7.786 5.159 -2.770 270 HD1 TYR 36 HD1 TYR 36 -4.366 4.159 -3.913 271 HD2 TYR 36 HD2 TYR 36 -7.607 6.953 -4.278 272 HE1 TYR 36 HE1 TYR 36 -3.221 5.235 -5.830 273 HE2 TYR 36 HE2 TYR 36 -6.463 8.030 -6.198 274 HH TYR 36 HH TYR 36 -4.781 7.802 -7.698 275 HA PRO 37 HA PRO 37 -8.204 6.665 1.805 276 1HB PRO 37 HB2 PRO 37 -10.110 8.279 0.375 277 2HB PRO 37 HB1 PRO 37 -8.821 8.818 1.455 278 1HG PRO 37 HG2 PRO 37 -8.943 9.065 -1.402 279 2HG PRO 37 HG1 PRO 37 -7.660 9.608 -0.317 280 1HD PRO 37 HD2 PRO 37 -7.584 7.402 -2.170 281 2HD PRO 37 HD1 PRO 37 -6.302 7.932 -1.055 Start of MODEL 19 1 1H VAL 1 HT1 VAL 1 -3.991 8.311 2.704 2 2H VAL 1 HT2 VAL 1 -2.338 8.641 2.489 3 3H VAL 1 HT3 VAL 1 -3.206 9.409 3.730 4 HA VAL 1 HA VAL 1 -2.436 7.807 5.075 5 HB VAL 1 HB VAL 1 -4.472 6.409 3.319 6 1HG1 VAL 1 HG11 VAL 1 -2.815 5.387 5.557 7 2HG1 VAL 1 HG12 VAL 1 -3.624 4.506 4.260 8 3HG1 VAL 1 HG13 VAL 1 -4.541 5.042 5.667 9 1HG2 VAL 1 HG21 VAL 1 -5.725 7.930 4.484 10 2HG2 VAL 1 HG22 VAL 1 -4.495 8.138 5.729 11 3HG2 VAL 1 HG23 VAL 1 -5.578 6.747 5.784 12 H PHE 2 HN PHE 2 -0.358 8.050 3.515 13 HA PHE 2 HA PHE 2 0.239 5.557 2.037 14 1HB PHE 2 HB2 PHE 2 1.437 8.277 2.435 15 2HB PHE 2 HB1 PHE 2 2.479 6.976 1.860 16 HD1 PHE 2 HD1 PHE 2 -1.150 7.233 1.170 17 HD2 PHE 2 HD2 PHE 2 2.815 7.768 -0.392 18 HE1 PHE 2 HE1 PHE 2 -2.085 7.496 -1.112 19 HE2 PHE 2 HE2 PHE 2 1.881 8.031 -2.675 20 HZ PHE 2 HZ PHE 2 -0.570 7.895 -3.034 21 H ILE 3 HN ILE 3 2.364 4.442 2.545 22 HA ILE 3 HA ILE 3 3.272 4.735 5.365 23 HB ILE 3 HB ILE 3 2.868 2.320 5.744 24 1HG1 ILE 3 HG12 ILE 3 1.643 2.473 2.972 25 2HG1 ILE 3 HG11 ILE 3 3.064 1.539 3.441 26 1HG2 ILE 3 HG21 ILE 3 0.382 3.727 4.723 27 2HG2 ILE 3 HG22 ILE 3 1.117 4.030 6.297 28 3HG2 ILE 3 HG23 ILE 3 0.445 2.441 5.929 29 1HD1 ILE 3 HD11 ILE 3 0.599 0.458 3.341 30 2HD1 ILE 3 HD12 ILE 3 0.577 1.052 5.001 31 3HD1 ILE 3 HD13 ILE 3 1.823 -0.084 4.488 32 H ASN 4 HN ASN 4 5.459 4.351 5.514 33 HA ASN 4 HA ASN 4 6.863 3.401 3.061 34 1HB ASN 4 HB2 ASN 4 8.809 4.479 4.202 35 2HB ASN 4 HB1 ASN 4 7.453 5.590 3.995 36 1HD2 ASN 4 HD21 ASN 4 9.679 4.563 6.273 37 2HD2 ASN 4 HD22 ASN 4 8.814 4.939 7.684 38 H ALA 5 HN ALA 5 5.820 1.204 4.135 39 HA ALA 5 HA ALA 5 7.505 0.076 6.270 40 1HB ALA 5 HB1 ALA 5 5.931 -1.927 5.132 41 2HB ALA 5 HB2 ALA 5 4.989 -0.458 4.880 42 3HB ALA 5 HB3 ALA 5 5.482 -0.920 6.508 43 H LYS 6 HN LYS 6 8.390 0.761 3.305 44 HA LYS 6 HA LYS 6 9.814 -0.217 1.681 45 1HB LYS 6 HB2 LYS 6 10.588 -0.934 4.405 46 2HB LYS 6 HB1 LYS 6 11.181 -2.093 3.215 47 1HG LYS 6 HG2 LYS 6 11.629 0.380 2.013 48 2HG LYS 6 HG1 LYS 6 12.046 0.651 3.705 49 1HD LYS 6 HD2 LYS 6 13.046 -1.912 2.742 50 2HD LYS 6 HD1 LYS 6 13.670 -0.565 1.790 51 1HE LYS 6 HE2 LYS 6 13.686 -0.496 4.817 52 2HE LYS 6 HE1 LYS 6 15.028 -1.187 3.887 53 1HZ LYS 6 HZ1 LYS 6 14.240 1.225 2.680 54 2HZ LYS 6 HZ2 LYS 6 15.728 0.849 3.406 55 3HZ LYS 6 HZ3 LYS 6 14.474 1.520 4.333 56 H CYS 7 HN CYS 7 7.875 -1.309 0.667 57 HA CYS 7 HA CYS 7 7.191 -4.036 1.357 58 1HB CYS 7 HB2 CYS 7 5.820 -3.897 -0.611 59 2HB CYS 7 HB1 CYS 7 5.820 -2.286 0.104 60 H ARG 8 HN ARG 8 7.298 -5.431 -1.054 61 HA ARG 8 HA ARG 8 10.243 -5.598 -1.606 62 1HB ARG 8 HB2 ARG 8 8.183 -7.617 -0.808 63 2HB ARG 8 HB1 ARG 8 9.478 -8.141 -1.885 64 1HG ARG 8 HG2 ARG 8 11.085 -7.027 -0.203 65 2HG ARG 8 HG1 ARG 8 9.712 -7.010 0.904 66 1HD ARG 8 HD2 ARG 8 10.961 -9.056 1.315 67 2HD ARG 8 HD1 ARG 8 9.468 -9.510 0.470 68 HE ARG 8 HE ARG 8 11.467 -8.909 -1.478 69 1HH1 ARG 8 HH21 ARG 8 9.833 -11.375 -1.619 70 2HH1 ARG 8 HH22 ARG 8 10.991 -12.621 -1.289 71 1HH2 ARG 8 HH11 ARG 8 13.335 -10.453 0.066 72 2HH2 ARG 8 HH12 ARG 8 12.972 -12.099 -0.334 73 H GLY 9 HN GLY 9 7.017 -5.501 -2.902 74 1HA GLY 9 HA2 GLY 9 8.142 -5.487 -5.624 75 2HA GLY 9 HA1 GLY 9 7.009 -6.792 -5.288 76 H SER 10 HN SER 10 4.941 -5.787 -4.005 77 HA SER 10 HA SER 10 4.024 -3.171 -4.510 78 1HB SER 10 HB2 SER 10 4.279 -4.875 -6.863 79 2HB SER 10 HB1 SER 10 2.640 -4.263 -6.672 80 HG SER 10 HG SER 10 5.056 -2.770 -6.728 81 HA PRO 11 HA PRO 11 0.123 -6.105 -4.413 82 1HB PRO 11 HB2 PRO 11 1.131 -8.734 -3.807 83 2HB PRO 11 HB1 PRO 11 0.201 -8.215 -5.215 84 1HG PRO 11 HG2 PRO 11 3.000 -8.879 -5.081 85 2HG PRO 11 HG1 PRO 11 2.053 -8.418 -6.498 86 1HD PRO 11 HD2 PRO 11 4.059 -6.873 -5.183 87 2HD PRO 11 HD1 PRO 11 3.011 -6.347 -6.520 88 H GLU 12 HN GLU 12 2.923 -6.078 -2.406 89 HA GLU 12 HA GLU 12 1.732 -7.194 -0.001 90 1HB GLU 12 HB2 GLU 12 4.221 -6.065 -0.938 91 2HB GLU 12 HB1 GLU 12 3.789 -5.330 0.606 92 1HG GLU 12 HG2 GLU 12 4.984 -7.257 1.242 93 2HG GLU 12 HG1 GLU 12 3.299 -7.760 1.380 94 H CYS 13 HN CYS 13 1.898 -4.013 -1.493 95 HA CYS 13 HA CYS 13 1.015 -2.456 0.765 96 1HB CYS 13 HB2 CYS 13 2.170 -1.452 -1.091 97 2HB CYS 13 HB1 CYS 13 1.002 -2.096 -2.243 98 H LEU 14 HN LEU 14 -0.692 -4.315 -1.713 99 HA LEU 14 HA LEU 14 -3.271 -3.141 -1.486 100 1HB LEU 14 HB2 LEU 14 -2.010 -5.389 -2.690 101 2HB LEU 14 HB1 LEU 14 -3.430 -5.989 -1.834 102 HG LEU 14 HG LEU 14 -4.844 -4.342 -2.965 103 1HD1 LEU 14 HD11 LEU 14 -2.180 -3.388 -3.957 104 2HD1 LEU 14 HD12 LEU 14 -3.560 -2.449 -3.385 105 3HD1 LEU 14 HD13 LEU 14 -3.596 -3.183 -4.989 106 1HD2 LEU 14 HD21 LEU 14 -4.131 -6.604 -4.025 107 2HD2 LEU 14 HD22 LEU 14 -3.142 -5.619 -5.103 108 3HD2 LEU 14 HD23 LEU 14 -4.892 -5.406 -5.074 109 HA PRO 15 HA PRO 15 -4.246 -6.479 1.911 110 1HB PRO 15 HB2 PRO 15 -1.731 -7.257 3.067 111 2HB PRO 15 HB1 PRO 15 -2.899 -8.275 2.220 112 1HG PRO 15 HG2 PRO 15 -0.327 -7.382 1.293 113 2HG PRO 15 HG1 PRO 15 -1.480 -8.436 0.468 114 1HD PRO 15 HD2 PRO 15 -0.814 -5.724 -0.188 115 2HD PRO 15 HD1 PRO 15 -2.028 -6.763 -0.966 116 H LYS 16 HN LYS 16 -1.156 -4.735 2.447 117 HA LYS 16 HA LYS 16 -1.673 -3.959 5.150 118 1HB LYS 16 HB2 LYS 16 0.080 -3.119 2.878 119 2HB LYS 16 HB1 LYS 16 -0.026 -2.043 4.273 120 1HG LYS 16 HG2 LYS 16 0.557 -5.003 4.516 121 2HG LYS 16 HG1 LYS 16 1.823 -3.780 4.402 122 1HD LYS 16 HD2 LYS 16 1.510 -3.094 6.542 123 2HD LYS 16 HD1 LYS 16 -0.248 -3.149 6.392 124 1HE LYS 16 HE2 LYS 16 0.153 -5.776 6.392 125 2HE LYS 16 HE1 LYS 16 1.644 -5.317 7.239 126 1HZ LYS 16 HZ1 LYS 16 0.512 -4.572 9.010 127 2HZ LYS 16 HZ2 LYS 16 -0.762 -5.530 8.427 128 3HZ LYS 16 HZ3 LYS 16 -0.715 -3.871 8.075 129 H CYS 17 HN CYS 17 -2.619 -2.510 2.057 130 HA CYS 17 HA CYS 17 -3.469 0.041 3.047 131 1HB CYS 17 HB2 CYS 17 -4.089 -1.716 0.680 132 2HB CYS 17 HB1 CYS 17 -4.957 -0.198 0.903 133 H LYS 18 HN LYS 18 -5.380 -2.915 2.340 134 HA LYS 18 HA LYS 18 -7.886 -1.971 3.273 135 1HB LYS 18 HB2 LYS 18 -7.518 -4.023 1.967 136 2HB LYS 18 HB1 LYS 18 -6.652 -4.745 3.323 137 1HG LYS 18 HG2 LYS 18 -8.990 -3.988 4.528 138 2HG LYS 18 HG1 LYS 18 -9.556 -4.409 2.911 139 1HD LYS 18 HD2 LYS 18 -9.561 -6.546 3.673 140 2HD LYS 18 HD1 LYS 18 -7.812 -6.468 3.462 141 1HE LYS 18 HE2 LYS 18 -7.643 -5.587 5.830 142 2HE LYS 18 HE1 LYS 18 -9.372 -5.947 6.014 143 1HZ LYS 18 HZ1 LYS 18 -8.512 -7.958 6.603 144 2HZ LYS 18 HZ2 LYS 18 -7.119 -7.782 5.647 145 3HZ LYS 18 HZ3 LYS 18 -8.600 -8.201 4.927 146 H GLU 19 HN GLU 19 -5.165 -3.418 5.044 147 HA GLU 19 HA GLU 19 -6.603 -3.623 7.568 148 1HB GLU 19 HB2 GLU 19 -3.648 -3.623 6.868 149 2HB GLU 19 HB1 GLU 19 -4.329 -4.155 8.405 150 1HG GLU 19 HG2 GLU 19 -5.340 -5.360 5.846 151 2HG GLU 19 HG1 GLU 19 -3.818 -5.928 6.532 152 H ALA 20 HN ALA 20 -4.976 -1.069 5.880 153 HA ALA 20 HA ALA 20 -4.878 0.567 8.392 154 1HB ALA 20 HB1 ALA 20 -3.342 0.621 5.784 155 2HB ALA 20 HB2 ALA 20 -2.713 0.294 7.399 156 3HB ALA 20 HB3 ALA 20 -3.241 1.921 6.971 157 H ILE 21 HN ILE 21 -6.564 0.163 5.449 158 HA ILE 21 HA ILE 21 -7.695 2.925 5.722 159 HB ILE 21 HB ILE 21 -6.032 2.422 3.790 160 1HG1 ILE 21 HG12 ILE 21 -8.665 3.374 2.727 161 2HG1 ILE 21 HG11 ILE 21 -7.926 4.268 4.057 162 1HG2 ILE 21 HG21 ILE 21 -7.617 0.257 3.362 163 2HG2 ILE 21 HG22 ILE 21 -6.638 1.008 2.103 164 3HG2 ILE 21 HG23 ILE 21 -8.348 1.409 2.245 165 1HD1 ILE 21 HD11 ILE 21 -6.239 3.522 1.691 166 2HD1 ILE 21 HD12 ILE 21 -6.073 4.889 2.793 167 3HD1 ILE 21 HD13 ILE 21 -7.336 4.895 1.563 168 H GLY 22 HN GLY 22 -8.240 -0.478 4.959 169 1HA GLY 22 HA2 GLY 22 -10.448 -1.375 5.735 170 2HA GLY 22 HA1 GLY 22 -11.180 0.074 5.046 171 H LYS 23 HN LYS 23 -9.638 0.117 2.621 172 HA LYS 23 HA LYS 23 -10.662 -2.365 1.276 173 1HB LYS 23 HB2 LYS 23 -10.543 0.473 0.208 174 2HB LYS 23 HB1 LYS 23 -11.311 -0.911 -0.570 175 1HG LYS 23 HG2 LYS 23 -12.759 -1.096 1.540 176 2HG LYS 23 HG1 LYS 23 -12.159 0.508 1.961 177 1HD LYS 23 HD2 LYS 23 -13.898 1.267 0.715 178 2HD LYS 23 HD1 LYS 23 -12.886 0.850 -0.667 179 1HE LYS 23 HE2 LYS 23 -14.030 -1.586 -0.021 180 2HE LYS 23 HE1 LYS 23 -15.351 -0.437 0.275 181 1HZ LYS 23 HZ1 LYS 23 -14.850 -1.289 -2.140 182 2HZ LYS 23 HZ2 LYS 23 -13.672 -0.065 -2.101 183 3HZ LYS 23 HZ3 LYS 23 -15.310 0.321 -1.865 184 H ALA 24 HN ALA 24 -9.141 -3.425 0.037 185 HA ALA 24 HA ALA 24 -6.382 -2.501 0.000 186 1HB ALA 24 HB1 ALA 24 -7.985 -4.858 -0.667 187 2HB ALA 24 HB2 ALA 24 -6.322 -4.768 -0.091 188 3HB ALA 24 HB3 ALA 24 -6.669 -4.599 -1.811 189 H ALA 25 HN ALA 25 -6.455 -0.489 -1.190 190 HA ALA 25 HA ALA 25 -6.673 -0.873 -4.145 191 1HB ALA 25 HB1 ALA 25 -8.666 0.216 -3.991 192 2HB ALA 25 HB2 ALA 25 -7.697 1.659 -3.690 193 3HB ALA 25 HB3 ALA 25 -8.344 0.733 -2.336 194 H GLY 26 HN GLY 26 -4.324 -0.745 -4.152 195 1HA GLY 26 HA2 GLY 26 -3.245 1.849 -4.541 196 2HA GLY 26 HA1 GLY 26 -2.833 1.345 -2.902 197 H LYS 27 HN LYS 27 -0.623 1.611 -4.149 198 HA LYS 27 HA LYS 27 0.266 -1.138 -4.840 199 1HB LYS 27 HB2 LYS 27 0.989 1.181 -6.630 200 2HB LYS 27 HB1 LYS 27 1.034 -0.542 -6.994 201 1HG LYS 27 HG2 LYS 27 -1.433 -0.627 -6.929 202 2HG LYS 27 HG1 LYS 27 -1.484 1.099 -6.569 203 1HD LYS 27 HD2 LYS 27 -0.212 -0.083 -9.055 204 2HD LYS 27 HD1 LYS 27 -1.845 0.580 -8.997 205 1HE LYS 27 HE2 LYS 27 0.401 2.292 -7.985 206 2HE LYS 27 HE1 LYS 27 0.186 2.121 -9.737 207 1HZ LYS 27 HZ1 LYS 27 -1.894 3.029 -9.675 208 2HZ LYS 27 HZ2 LYS 27 -1.185 3.889 -8.392 209 3HZ LYS 27 HZ3 LYS 27 -2.188 2.555 -8.073 210 H CYS 28 HN CYS 28 2.811 -1.007 -5.173 211 HA CYS 28 HA CYS 28 3.848 0.861 -3.080 212 1HB CYS 28 HB2 CYS 28 3.955 -1.661 -2.780 213 2HB CYS 28 HB1 CYS 28 5.094 -1.691 -4.128 214 H MET 29 HN MET 29 5.309 2.397 -3.702 215 HA MET 29 HA MET 29 6.715 2.040 -6.327 216 1HB MET 29 HB2 MET 29 4.721 3.595 -6.355 217 2HB MET 29 HB1 MET 29 5.572 4.609 -5.190 218 1HG MET 29 HG2 MET 29 7.082 5.363 -6.741 219 2HG MET 29 HG1 MET 29 7.100 3.834 -7.617 220 1HE MET 29 HE1 MET 29 5.268 7.492 -7.508 221 2HE MET 29 HE2 MET 29 5.724 7.443 -9.210 222 3HE MET 29 HE3 MET 29 6.900 6.997 -7.977 223 H ASN 30 HN ASN 30 8.900 2.571 -6.252 224 HA ASN 30 HA ASN 30 10.979 3.214 -5.328 225 1HB ASN 30 HB2 ASN 30 8.917 5.093 -4.369 226 2HB ASN 30 HB1 ASN 30 10.367 5.046 -3.368 227 1HD2 ASN 30 HD21 ASN 30 10.068 4.601 -6.926 228 2HD2 ASN 30 HD22 ASN 30 11.090 5.896 -7.324 229 H GLY 31 HN GLY 31 8.873 1.280 -3.863 230 1HA GLY 31 HA2 GLY 31 9.507 -0.351 -2.201 231 2HA GLY 31 HA1 GLY 31 10.692 0.793 -1.572 232 H LYS 32 HN LYS 32 7.586 2.115 -2.233 233 HA LYS 32 HA LYS 32 6.848 1.874 0.663 234 1HB LYS 32 HB2 LYS 32 6.615 4.345 -1.083 235 2HB LYS 32 HB1 LYS 32 6.333 4.246 0.656 236 1HG LYS 32 HG2 LYS 32 8.917 3.185 0.218 237 2HG LYS 32 HG1 LYS 32 8.821 4.661 -0.743 238 1HD LYS 32 HD2 LYS 32 7.904 5.826 1.306 239 2HD LYS 32 HD1 LYS 32 8.288 4.370 2.223 240 1HE LYS 32 HE2 LYS 32 10.431 5.069 2.421 241 2HE LYS 32 HE1 LYS 32 10.588 5.085 0.653 242 1HZ LYS 32 HZ1 LYS 32 10.862 7.306 1.229 243 2HZ LYS 32 HZ2 LYS 32 9.675 7.250 2.443 244 3HZ LYS 32 HZ3 LYS 32 9.221 7.229 0.806 245 H CYS 33 HN CYS 33 4.625 1.641 1.046 246 HA CYS 33 HA CYS 33 2.959 0.896 -1.260 247 1HB CYS 33 HB2 CYS 33 2.789 -0.514 0.622 248 2HB CYS 33 HB1 CYS 33 2.779 0.840 1.747 249 H LYS 34 HN LYS 34 1.094 1.997 -1.936 250 HA LYS 34 HA LYS 34 0.499 4.629 -0.631 251 1HB LYS 34 HB2 LYS 34 0.609 4.047 -3.609 252 2HB LYS 34 HB1 LYS 34 0.391 5.624 -2.849 253 1HG LYS 34 HG2 LYS 34 2.650 5.292 -1.747 254 2HG LYS 34 HG1 LYS 34 2.863 3.879 -2.781 255 1HD LYS 34 HD2 LYS 34 2.189 6.610 -3.890 256 2HD LYS 34 HD1 LYS 34 3.850 6.061 -3.670 257 1HE LYS 34 HE2 LYS 34 3.684 5.069 -5.705 258 2HE LYS 34 HE1 LYS 34 2.532 3.933 -4.976 259 1HZ LYS 34 HZ1 LYS 34 0.730 5.261 -5.548 260 2HZ LYS 34 HZ2 LYS 34 1.722 5.369 -6.922 261 3HZ LYS 34 HZ3 LYS 34 1.684 6.640 -5.796 262 H CYS 35 HN CYS 35 -1.488 3.977 0.278 263 HA CYS 35 HA CYS 35 -3.402 2.360 -1.245 264 1HB CYS 35 HB2 CYS 35 -3.741 3.905 1.342 265 2HB CYS 35 HB1 CYS 35 -4.693 2.523 0.798 266 H TYR 36 HN TYR 36 -5.703 3.202 -1.469 267 HA TYR 36 HA TYR 36 -5.701 6.105 -2.233 268 1HB TYR 36 HB2 TYR 36 -6.510 3.594 -3.599 269 2HB TYR 36 HB1 TYR 36 -7.607 4.960 -3.803 270 HD1 TYR 36 HD1 TYR 36 -6.994 6.877 -5.108 271 HD2 TYR 36 HD2 TYR 36 -4.109 3.808 -4.264 272 HE1 TYR 36 HE1 TYR 36 -5.448 7.873 -6.772 273 HE2 TYR 36 HE2 TYR 36 -2.563 4.805 -5.928 274 HH TYR 36 HH TYR 36 -2.182 7.047 -6.972 275 HA PRO 37 HA PRO 37 -9.173 6.730 0.390 276 1HB PRO 37 HB2 PRO 37 -10.736 8.118 -1.587 277 2HB PRO 37 HB1 PRO 37 -9.765 8.812 -0.285 278 1HG PRO 37 HG2 PRO 37 -9.207 8.841 -3.098 279 2HG PRO 37 HG1 PRO 37 -8.230 9.518 -1.791 280 1HD PRO 37 HD2 PRO 37 -7.674 7.177 -3.388 281 2HD PRO 37 HD1 PRO 37 -6.689 7.864 -2.074 Start of MODEL 20 1 1H VAL 1 HT1 VAL 1 -4.344 8.514 2.451 2 2H VAL 1 HT2 VAL 1 -4.007 6.870 2.718 3 3H VAL 1 HT3 VAL 1 -3.753 7.554 1.185 4 HA VAL 1 HA VAL 1 -2.000 8.982 2.103 5 HB VAL 1 HB VAL 1 -1.395 8.626 4.456 6 1HG1 VAL 1 HG11 VAL 1 -4.356 8.877 4.648 7 2HG1 VAL 1 HG12 VAL 1 -3.528 10.022 3.592 8 3HG1 VAL 1 HG13 VAL 1 -3.095 9.924 5.298 9 1HG2 VAL 1 HG21 VAL 1 -2.350 6.152 4.232 10 2HG2 VAL 1 HG22 VAL 1 -3.811 6.904 4.870 11 3HG2 VAL 1 HG23 VAL 1 -2.311 6.966 5.794 12 H PHE 2 HN PHE 2 0.235 8.000 2.714 13 HA PHE 2 HA PHE 2 0.423 5.301 1.448 14 1HB PHE 2 HB2 PHE 2 2.468 7.492 1.936 15 2HB PHE 2 HB1 PHE 2 2.754 6.016 1.017 16 HD1 PHE 2 HD1 PHE 2 -0.436 6.379 0.153 17 HD2 PHE 2 HD2 PHE 2 3.227 8.579 -0.294 18 HE1 PHE 2 HE1 PHE 2 -1.339 7.465 -1.882 19 HE2 PHE 2 HE2 PHE 2 2.323 9.667 -2.329 20 HZ PHE 2 HZ PHE 2 0.040 9.112 -3.124 21 H ILE 3 HN ILE 3 2.173 3.869 2.372 22 HA ILE 3 HA ILE 3 2.310 4.164 5.355 23 HB ILE 3 HB ILE 3 2.729 1.505 4.106 24 1HG1 ILE 3 HG12 ILE 3 0.862 2.561 2.712 25 2HG1 ILE 3 HG11 ILE 3 0.424 1.083 3.565 26 1HG2 ILE 3 HG21 ILE 3 1.388 2.701 6.500 27 2HG2 ILE 3 HG22 ILE 3 2.582 1.406 6.413 28 3HG2 ILE 3 HG23 ILE 3 0.904 1.089 5.974 29 1HD1 ILE 3 HD11 ILE 3 -0.569 2.416 5.383 30 2HD1 ILE 3 HD12 ILE 3 -1.322 2.799 3.836 31 3HD1 ILE 3 HD13 ILE 3 -0.134 3.899 4.535 32 H ASN 4 HN ASN 4 4.325 3.403 6.337 33 HA ASN 4 HA ASN 4 6.652 3.618 4.465 34 1HB ASN 4 HB2 ASN 4 7.856 4.326 6.520 35 2HB ASN 4 HB1 ASN 4 6.438 5.332 6.227 36 1HD2 ASN 4 HD21 ASN 4 7.939 3.204 8.506 37 2HD2 ASN 4 HD22 ASN 4 6.655 3.141 9.615 38 H ALA 5 HN ALA 5 5.287 1.139 4.664 39 HA ALA 5 HA ALA 5 6.885 -0.548 6.515 40 1HB ALA 5 HB1 ALA 5 5.199 -2.190 6.031 41 2HB ALA 5 HB2 ALA 5 4.690 -1.331 4.577 42 3HB ALA 5 HB3 ALA 5 4.349 -0.651 6.168 43 H LYS 6 HN LYS 6 8.017 0.769 4.023 44 HA LYS 6 HA LYS 6 9.189 0.170 2.036 45 1HB LYS 6 HB2 LYS 6 10.889 -1.565 2.654 46 2HB LYS 6 HB1 LYS 6 10.715 -0.294 3.862 47 1HG LYS 6 HG2 LYS 6 9.378 -1.714 5.276 48 2HG LYS 6 HG1 LYS 6 9.251 -2.940 4.017 49 1HD LYS 6 HD2 LYS 6 12.025 -2.288 4.571 50 2HD LYS 6 HD1 LYS 6 11.189 -2.829 6.027 51 1HE LYS 6 HE2 LYS 6 11.090 -4.322 3.383 52 2HE LYS 6 HE1 LYS 6 12.191 -4.729 4.714 53 1HZ LYS 6 HZ1 LYS 6 10.216 -4.813 6.185 54 2HZ LYS 6 HZ2 LYS 6 10.202 -6.008 4.978 55 3HZ LYS 6 HZ3 LYS 6 9.223 -4.628 4.822 56 H CYS 7 HN CYS 7 7.024 -0.546 1.058 57 HA CYS 7 HA CYS 7 6.056 -3.176 1.001 58 1HB CYS 7 HB2 CYS 7 5.165 -2.517 -1.224 59 2HB CYS 7 HB1 CYS 7 4.986 -1.219 -0.045 60 H ARG 8 HN ARG 8 6.774 -5.074 0.112 61 HA ARG 8 HA ARG 8 9.418 -5.077 -1.240 62 1HB ARG 8 HB2 ARG 8 7.691 -6.927 0.315 63 2HB ARG 8 HB1 ARG 8 8.676 -7.678 -0.942 64 1HG ARG 8 HG2 ARG 8 10.041 -5.675 0.777 65 2HG ARG 8 HG1 ARG 8 9.607 -7.201 1.548 66 1HD ARG 8 HD2 ARG 8 10.891 -7.351 -1.151 67 2HD ARG 8 HD1 ARG 8 11.923 -6.947 0.237 68 HE ARG 8 HE ARG 8 10.674 -9.019 1.310 69 1HH1 ARG 8 HH21 ARG 8 12.335 -8.620 -1.641 70 2HH1 ARG 8 HH22 ARG 8 12.223 -10.286 -2.104 71 1HH2 ARG 8 HH11 ARG 8 10.213 -11.171 0.579 72 2HH2 ARG 8 HH12 ARG 8 11.023 -11.730 -0.846 73 H GLY 9 HN GLY 9 6.067 -5.288 -1.991 74 1HA GLY 9 HA2 GLY 9 6.663 -5.670 -4.828 75 2HA GLY 9 HA1 GLY 9 5.774 -7.013 -4.105 76 H SER 10 HN SER 10 4.740 -5.258 -6.149 77 HA SER 10 HA SER 10 3.078 -3.170 -5.179 78 1HB SER 10 HB2 SER 10 1.810 -4.542 -7.335 79 2HB SER 10 HB1 SER 10 2.788 -3.081 -7.409 80 HG SER 10 HG SER 10 4.530 -4.254 -7.896 81 HA PRO 11 HA PRO 11 -0.421 -6.528 -4.849 82 1HB PRO 11 HB2 PRO 11 0.887 -9.052 -4.388 83 2HB PRO 11 HB1 PRO 11 -0.162 -8.597 -5.734 84 1HG PRO 11 HG2 PRO 11 2.660 -9.028 -5.802 85 2HG PRO 11 HG1 PRO 11 1.619 -8.497 -7.125 86 1HD PRO 11 HD2 PRO 11 3.560 -6.948 -5.635 87 2HD PRO 11 HD1 PRO 11 2.582 -6.436 -7.032 88 H GLU 12 HN GLU 12 2.502 -6.245 -3.075 89 HA GLU 12 HA GLU 12 1.527 -7.484 -0.597 90 1HB GLU 12 HB2 GLU 12 3.883 -5.690 -1.272 91 2HB GLU 12 HB1 GLU 12 3.671 -6.530 0.265 92 1HG GLU 12 HG2 GLU 12 3.545 -8.107 -2.285 93 2HG GLU 12 HG1 GLU 12 5.119 -7.627 -1.651 94 H CYS 13 HN CYS 13 1.752 -4.229 -1.982 95 HA CYS 13 HA CYS 13 1.112 -2.779 0.416 96 1HB CYS 13 HB2 CYS 13 2.049 -2.095 -1.958 97 2HB CYS 13 HB1 CYS 13 0.343 -1.880 -2.347 98 H LEU 14 HN LEU 14 -0.820 -4.643 -1.803 99 HA LEU 14 HA LEU 14 -3.362 -3.408 -1.449 100 1HB LEU 14 HB2 LEU 14 -2.202 -5.906 -2.415 101 2HB LEU 14 HB1 LEU 14 -3.767 -6.170 -1.648 102 HG LEU 14 HG LEU 14 -4.076 -5.693 -4.034 103 1HD1 LEU 14 HD11 LEU 14 -5.888 -4.344 -3.682 104 2HD1 LEU 14 HD12 LEU 14 -4.936 -3.108 -2.861 105 3HD1 LEU 14 HD13 LEU 14 -5.450 -4.550 -1.987 106 1HD2 LEU 14 HD21 LEU 14 -3.259 -2.880 -3.879 107 2HD2 LEU 14 HD22 LEU 14 -2.921 -4.078 -5.129 108 3HD2 LEU 14 HD23 LEU 14 -1.907 -3.997 -3.687 109 HA PRO 15 HA PRO 15 -4.004 -6.482 2.280 110 1HB PRO 15 HB2 PRO 15 -1.370 -7.235 3.162 111 2HB PRO 15 HB1 PRO 15 -2.654 -8.288 2.561 112 1HG PRO 15 HG2 PRO 15 -0.214 -7.501 1.227 113 2HG PRO 15 HG1 PRO 15 -1.450 -8.637 0.675 114 1HD PRO 15 HD2 PRO 15 -0.918 -6.041 -0.378 115 2HD PRO 15 HD1 PRO 15 -2.274 -7.112 -0.799 116 H LYS 16 HN LYS 16 -0.979 -4.599 2.082 117 HA LYS 16 HA LYS 16 -1.046 -3.629 4.804 118 1HB LYS 16 HB2 LYS 16 0.298 -2.818 2.220 119 2HB LYS 16 HB1 LYS 16 0.554 -1.913 3.712 120 1HG LYS 16 HG2 LYS 16 1.024 -4.314 4.717 121 2HG LYS 16 HG1 LYS 16 1.366 -4.718 3.034 122 1HD LYS 16 HD2 LYS 16 2.775 -2.451 3.168 123 2HD LYS 16 HD1 LYS 16 2.830 -2.880 4.878 124 1HE LYS 16 HE2 LYS 16 4.757 -3.913 3.857 125 2HE LYS 16 HE1 LYS 16 3.582 -5.217 4.118 126 1HZ LYS 16 HZ1 LYS 16 3.993 -5.513 1.907 127 2HZ LYS 16 HZ2 LYS 16 4.346 -3.876 1.627 128 3HZ LYS 16 HZ3 LYS 16 2.734 -4.384 1.791 129 H CYS 17 HN CYS 17 -2.268 -2.378 1.701 130 HA CYS 17 HA CYS 17 -3.177 0.158 2.816 131 1HB CYS 17 HB2 CYS 17 -3.640 -1.396 0.258 132 2HB CYS 17 HB1 CYS 17 -4.396 0.170 0.550 133 H LYS 18 HN LYS 18 -4.623 -3.019 2.188 134 HA LYS 18 HA LYS 18 -7.361 -2.272 2.695 135 1HB LYS 18 HB2 LYS 18 -6.913 -4.295 1.528 136 2HB LYS 18 HB1 LYS 18 -5.742 -4.825 2.737 137 1HG LYS 18 HG2 LYS 18 -7.402 -5.416 4.278 138 2HG LYS 18 HG1 LYS 18 -8.609 -4.373 3.525 139 1HD LYS 18 HD2 LYS 18 -9.107 -5.903 1.872 140 2HD LYS 18 HD1 LYS 18 -7.482 -6.589 1.872 141 1HE LYS 18 HE2 LYS 18 -8.030 -7.530 4.197 142 2HE LYS 18 HE1 LYS 18 -9.719 -7.112 3.845 143 1HZ LYS 18 HZ1 LYS 18 -9.004 -8.246 1.551 144 2HZ LYS 18 HZ2 LYS 18 -9.703 -9.116 2.833 145 3HZ LYS 18 HZ3 LYS 18 -8.017 -9.126 2.614 146 H GLU 19 HN GLU 19 -4.701 -3.398 4.755 147 HA GLU 19 HA GLU 19 -6.424 -3.469 7.155 148 1HB GLU 19 HB2 GLU 19 -3.428 -3.818 6.802 149 2HB GLU 19 HB1 GLU 19 -4.385 -4.325 8.194 150 1HG GLU 19 HG2 GLU 19 -5.268 -5.339 5.540 151 2HG GLU 19 HG1 GLU 19 -3.763 -6.002 6.175 152 H ALA 20 HN ALA 20 -4.347 -1.236 5.510 153 HA ALA 20 HA ALA 20 -3.599 0.372 7.816 154 1HB ALA 20 HB1 ALA 20 -3.361 1.988 5.629 155 2HB ALA 20 HB2 ALA 20 -3.383 0.401 4.861 156 3HB ALA 20 HB3 ALA 20 -2.164 0.774 6.079 157 H ILE 21 HN ILE 21 -5.893 0.950 5.116 158 HA ILE 21 HA ILE 21 -7.310 2.925 6.864 159 HB ILE 21 HB ILE 21 -8.081 3.866 4.738 160 1HG1 ILE 21 HG12 ILE 21 -6.640 1.491 3.513 161 2HG1 ILE 21 HG11 ILE 21 -8.378 1.784 3.484 162 1HG2 ILE 21 HG21 ILE 21 -6.115 4.949 4.600 163 2HG2 ILE 21 HG22 ILE 21 -5.375 3.554 3.814 164 3HG2 ILE 21 HG23 ILE 21 -5.376 3.677 5.573 165 1HD1 ILE 21 HD11 ILE 21 -6.462 2.680 1.609 166 2HD1 ILE 21 HD12 ILE 21 -6.980 4.110 2.501 167 3HD1 ILE 21 HD13 ILE 21 -8.171 3.106 1.674 168 H GLY 22 HN GLY 22 -7.771 0.071 4.806 169 1HA GLY 22 HA2 GLY 22 -9.550 -1.486 5.803 170 2HA GLY 22 HA1 GLY 22 -10.599 -0.068 5.770 171 H LYS 23 HN LYS 23 -8.478 -0.119 3.114 172 HA LYS 23 HA LYS 23 -10.502 -1.517 1.408 173 1HB LYS 23 HB2 LYS 23 -10.439 1.148 1.639 174 2HB LYS 23 HB1 LYS 23 -9.157 0.970 0.439 175 1HG LYS 23 HG2 LYS 23 -10.614 -0.117 -1.104 176 2HG LYS 23 HG1 LYS 23 -11.852 -0.361 0.129 177 1HD LYS 23 HD2 LYS 23 -12.124 2.108 0.302 178 2HD LYS 23 HD1 LYS 23 -10.956 2.303 -1.007 179 1HE LYS 23 HE2 LYS 23 -12.414 1.453 -2.617 180 2HE LYS 23 HE1 LYS 23 -13.335 0.509 -1.429 181 1HZ LYS 23 HZ1 LYS 23 -13.235 3.478 -1.522 182 2HZ LYS 23 HZ2 LYS 23 -14.169 2.532 -0.464 183 3HZ LYS 23 HZ3 LYS 23 -14.512 2.543 -2.128 184 H ALA 24 HN ALA 24 -9.568 -2.825 -0.139 185 HA ALA 24 HA ALA 24 -6.634 -3.086 -0.170 186 1HB ALA 24 HB1 ALA 24 -8.147 -5.029 -0.091 187 2HB ALA 24 HB2 ALA 24 -7.200 -5.056 -1.579 188 3HB ALA 24 HB3 ALA 24 -8.881 -4.527 -1.614 189 H ALA 25 HN ALA 25 -6.386 -0.845 -1.175 190 HA ALA 25 HA ALA 25 -6.308 -1.111 -4.132 191 1HB ALA 25 HB1 ALA 25 -8.084 0.640 -2.516 192 2HB ALA 25 HB2 ALA 25 -8.329 -0.018 -4.133 193 3HB ALA 25 HB3 ALA 25 -7.311 1.403 -3.904 194 H GLY 26 HN GLY 26 -3.993 -1.031 -3.911 195 1HA GLY 26 HA2 GLY 26 -2.894 1.658 -3.704 196 2HA GLY 26 HA1 GLY 26 -2.429 0.629 -2.348 197 H LYS 27 HN LYS 27 -0.324 1.388 -3.716 198 HA LYS 27 HA LYS 27 0.451 -1.031 -5.281 199 1HB LYS 27 HB2 LYS 27 0.983 1.835 -6.123 200 2HB LYS 27 HB1 LYS 27 1.336 0.376 -7.051 201 1HG LYS 27 HG2 LYS 27 -1.147 -0.138 -6.997 202 2HG LYS 27 HG1 LYS 27 -1.391 1.475 -6.323 203 1HD LYS 27 HD2 LYS 27 -0.158 0.793 -9.008 204 2HD LYS 27 HD1 LYS 27 -1.692 1.617 -8.723 205 1HE LYS 27 HE2 LYS 27 -0.474 3.539 -8.917 206 2HE LYS 27 HE1 LYS 27 0.115 3.164 -7.286 207 1HZ LYS 27 HZ1 LYS 27 1.786 3.398 -9.273 208 2HZ LYS 27 HZ2 LYS 27 1.332 1.788 -9.574 209 3HZ LYS 27 HZ3 LYS 27 2.021 2.215 -8.080 210 H CYS 28 HN CYS 28 3.007 -0.562 -5.838 211 HA CYS 28 HA CYS 28 4.279 0.484 -3.333 212 1HB CYS 28 HB2 CYS 28 4.223 -1.884 -3.096 213 2HB CYS 28 HB1 CYS 28 4.625 -2.141 -4.794 214 H MET 29 HN MET 29 5.661 2.098 -3.917 215 HA MET 29 HA MET 29 7.396 1.732 -6.310 216 1HB MET 29 HB2 MET 29 6.769 4.049 -7.033 217 2HB MET 29 HB1 MET 29 5.404 2.932 -7.075 218 1HG MET 29 HG2 MET 29 4.275 4.127 -5.532 219 2HG MET 29 HG1 MET 29 5.673 4.173 -4.457 220 1HE MET 29 HE1 MET 29 4.786 4.964 -7.857 221 2HE MET 29 HE2 MET 29 5.618 6.461 -8.271 222 3HE MET 29 HE3 MET 29 3.987 6.523 -7.610 223 H ASN 30 HN ASN 30 9.413 2.794 -6.059 224 HA ASN 30 HA ASN 30 11.177 3.831 -4.868 225 1HB ASN 30 HB2 ASN 30 8.770 5.411 -4.679 226 2HB ASN 30 HB1 ASN 30 9.691 5.569 -3.182 227 1HD2 ASN 30 HD21 ASN 30 9.587 6.482 -6.533 228 2HD2 ASN 30 HD22 ASN 30 11.063 7.320 -6.566 229 H GLY 31 HN GLY 31 9.693 1.450 -3.729 230 1HA GLY 31 HA2 GLY 31 9.840 0.166 -1.768 231 2HA GLY 31 HA1 GLY 31 11.018 1.341 -1.180 232 H LYS 32 HN LYS 32 7.790 2.283 -2.181 233 HA LYS 32 HA LYS 32 7.102 2.759 0.700 234 1HB LYS 32 HB2 LYS 32 7.196 4.509 -1.700 235 2HB LYS 32 HB1 LYS 32 5.816 4.747 -0.627 236 1HG LYS 32 HG2 LYS 32 7.933 4.520 1.140 237 2HG LYS 32 HG1 LYS 32 8.641 5.415 -0.204 238 1HD LYS 32 HD2 LYS 32 7.716 7.112 1.140 239 2HD LYS 32 HD1 LYS 32 6.480 6.855 -0.091 240 1HE LYS 32 HE2 LYS 32 4.992 6.385 1.549 241 2HE LYS 32 HE1 LYS 32 5.984 4.990 2.020 242 1HZ LYS 32 HZ1 LYS 32 7.332 6.360 3.389 243 2HZ LYS 32 HZ2 LYS 32 5.720 6.715 3.790 244 3HZ LYS 32 HZ3 LYS 32 6.608 7.781 2.810 245 H CYS 33 HN CYS 33 4.760 2.801 1.117 246 HA CYS 33 HA CYS 33 3.254 1.036 -0.775 247 1HB CYS 33 HB2 CYS 33 3.839 0.825 1.894 248 2HB CYS 33 HB1 CYS 33 2.247 1.574 1.951 249 H LYS 34 HN LYS 34 1.751 2.126 -2.000 250 HA LYS 34 HA LYS 34 0.655 4.704 -0.952 251 1HB LYS 34 HB2 LYS 34 1.019 3.442 -3.671 252 2HB LYS 34 HB1 LYS 34 -0.032 4.840 -3.450 253 1HG LYS 34 HG2 LYS 34 2.019 5.884 -2.219 254 2HG LYS 34 HG1 LYS 34 2.945 4.640 -3.059 255 1HD LYS 34 HD2 LYS 34 1.114 6.663 -4.384 256 2HD LYS 34 HD1 LYS 34 2.877 6.734 -4.371 257 1HE LYS 34 HE2 LYS 34 2.973 5.335 -6.147 258 2HE LYS 34 HE1 LYS 34 2.014 4.122 -5.275 259 1HZ LYS 34 HZ1 LYS 34 0.684 6.536 -6.292 260 2HZ LYS 34 HZ2 LYS 34 0.046 4.982 -6.035 261 3HZ LYS 34 HZ3 LYS 34 1.037 5.284 -7.381 262 H CYS 35 HN CYS 35 -1.434 4.679 -0.220 263 HA CYS 35 HA CYS 35 -3.232 2.463 -1.155 264 1HB CYS 35 HB2 CYS 35 -3.257 3.986 1.471 265 2HB CYS 35 HB1 CYS 35 -4.211 2.558 1.074 266 H TYR 36 HN TYR 36 -5.299 3.078 -1.859 267 HA TYR 36 HA TYR 36 -5.782 6.024 -2.052 268 1HB TYR 36 HB2 TYR 36 -6.513 3.614 -3.713 269 2HB TYR 36 HB1 TYR 36 -7.331 5.160 -3.939 270 HD1 TYR 36 HD1 TYR 36 -6.194 7.060 -4.911 271 HD2 TYR 36 HD2 TYR 36 -4.081 3.404 -4.129 272 HE1 TYR 36 HE1 TYR 36 -4.285 7.874 -6.270 273 HE2 TYR 36 HE2 TYR 36 -2.173 4.215 -5.489 274 HH TYR 36 HH TYR 36 -1.751 5.828 -7.287 275 HA PRO 37 HA PRO 37 -9.067 5.243 0.910 276 1HB PRO 37 HB2 PRO 37 -10.199 7.803 0.248 277 2HB PRO 37 HB1 PRO 37 -9.252 7.370 1.674 278 1HG PRO 37 HG2 PRO 37 -8.443 9.006 -0.534 279 2HG PRO 37 HG1 PRO 37 -7.494 8.549 0.882 280 1HD PRO 37 HD2 PRO 37 -7.187 7.617 -1.836 281 2HD PRO 37 HD1 PRO 37 -6.217 7.174 -0.409 Start of MODEL 21 1 1H VAL 1 HT1 VAL 1 -3.215 9.861 3.081 2 2H VAL 1 HT2 VAL 1 -2.168 9.317 1.859 3 3H VAL 1 HT3 VAL 1 -1.618 9.435 3.463 4 HA VAL 1 HA VAL 1 -3.050 7.655 4.163 5 HB VAL 1 HB VAL 1 -4.545 6.643 2.445 6 1HG1 VAL 1 HG11 VAL 1 -5.118 8.735 3.910 7 2HG1 VAL 1 HG12 VAL 1 -6.195 8.304 2.582 8 3HG1 VAL 1 HG13 VAL 1 -5.029 9.613 2.383 9 1HG2 VAL 1 HG21 VAL 1 -3.952 8.981 0.654 10 2HG2 VAL 1 HG22 VAL 1 -4.637 7.409 0.241 11 3HG2 VAL 1 HG23 VAL 1 -2.914 7.557 0.582 12 H PHE 2 HN PHE 2 -0.358 8.059 3.173 13 HA PHE 2 HA PHE 2 0.157 5.523 1.662 14 1HB PHE 2 HB2 PHE 2 1.394 8.233 1.858 15 2HB PHE 2 HB1 PHE 2 2.484 6.876 1.573 16 HD1 PHE 2 HD1 PHE 2 -1.054 7.172 0.443 17 HD2 PHE 2 HD2 PHE 2 3.084 7.227 -0.704 18 HE1 PHE 2 HE1 PHE 2 -1.718 7.139 -1.944 19 HE2 PHE 2 HE2 PHE 2 2.420 7.195 -3.093 20 HZ PHE 2 HZ PHE 2 0.020 7.151 -3.712 21 H ILE 3 HN ILE 3 1.707 4.044 2.522 22 HA ILE 3 HA ILE 3 2.656 4.640 5.308 23 HB ILE 3 HB ILE 3 2.237 2.150 5.675 24 1HG1 ILE 3 HG12 ILE 3 0.259 2.137 3.487 25 2HG1 ILE 3 HG11 ILE 3 1.937 2.103 2.944 26 1HG2 ILE 3 HG21 ILE 3 -0.159 3.863 4.948 27 2HG2 ILE 3 HG22 ILE 3 0.705 3.930 6.484 28 3HG2 ILE 3 HG23 ILE 3 -0.170 2.469 6.028 29 1HD1 ILE 3 HD11 ILE 3 2.320 0.222 4.610 30 2HD1 ILE 3 HD12 ILE 3 1.272 -0.185 3.252 31 3HD1 ILE 3 HD13 ILE 3 0.571 0.169 4.830 32 H ASN 4 HN ASN 4 4.785 4.032 5.725 33 HA ASN 4 HA ASN 4 6.357 3.074 3.380 34 1HB ASN 4 HB2 ASN 4 8.251 3.977 4.739 35 2HB ASN 4 HB1 ASN 4 6.998 5.184 4.446 36 1HD2 ASN 4 HD21 ASN 4 8.775 5.401 6.683 37 2HD2 ASN 4 HD22 ASN 4 7.874 5.183 8.106 38 H ALA 5 HN ALA 5 5.273 0.847 4.051 39 HA ALA 5 HA ALA 5 6.525 -0.443 6.392 40 1HB ALA 5 HB1 ALA 5 4.280 -0.823 4.583 41 2HB ALA 5 HB2 ALA 5 4.533 -1.503 6.192 42 3HB ALA 5 HB3 ALA 5 5.191 -2.322 4.774 43 H LYS 6 HN LYS 6 7.819 0.428 3.586 44 HA LYS 6 HA LYS 6 9.535 -0.415 2.190 45 1HB LYS 6 HB2 LYS 6 10.034 -2.250 4.545 46 2HB LYS 6 HB1 LYS 6 11.221 -1.568 3.435 47 1HG LYS 6 HG2 LYS 6 11.389 0.339 4.634 48 2HG LYS 6 HG1 LYS 6 9.640 0.499 4.780 49 1HD LYS 6 HD2 LYS 6 10.014 -1.599 6.428 50 2HD LYS 6 HD1 LYS 6 11.583 -0.815 6.611 51 1HE LYS 6 HE2 LYS 6 10.503 1.290 7.251 52 2HE LYS 6 HE1 LYS 6 8.903 0.574 6.976 53 1HZ LYS 6 HZ1 LYS 6 10.773 0.127 9.150 54 2HZ LYS 6 HZ2 LYS 6 10.041 -1.275 8.529 55 3HZ LYS 6 HZ3 LYS 6 9.083 -0.007 9.131 56 H CYS 7 HN CYS 7 7.325 -1.502 1.244 57 HA CYS 7 HA CYS 7 7.075 -4.372 1.523 58 1HB CYS 7 HB2 CYS 7 5.467 -4.091 -0.276 59 2HB CYS 7 HB1 CYS 7 5.309 -2.724 0.825 60 H ARG 8 HN ARG 8 7.539 -5.940 -0.203 61 HA ARG 8 HA ARG 8 10.061 -5.280 -1.653 62 1HB ARG 8 HB2 ARG 8 8.644 -7.813 -0.793 63 2HB ARG 8 HB1 ARG 8 10.043 -7.843 -1.866 64 1HG ARG 8 HG2 ARG 8 10.736 -6.123 0.265 65 2HG ARG 8 HG1 ARG 8 9.973 -7.533 1.003 66 1HD ARG 8 HD2 ARG 8 11.645 -8.556 -1.036 67 2HD ARG 8 HD1 ARG 8 12.604 -7.333 -0.176 68 HE ARG 8 HE ARG 8 11.359 -9.730 1.069 69 1HH1 ARG 8 HH11 ARG 8 11.270 -7.235 2.803 70 2HH1 ARG 8 HH12 ARG 8 12.741 -7.395 3.703 71 1HH2 ARG 8 HH21 ARG 8 14.098 -9.765 1.565 72 2HH2 ARG 8 HH22 ARG 8 14.342 -8.831 3.003 73 H GLY 9 HN GLY 9 6.693 -5.847 -2.174 74 1HA GLY 9 HA2 GLY 9 7.170 -5.783 -5.109 75 2HA GLY 9 HA1 GLY 9 6.119 -7.037 -4.450 76 H SER 10 HN SER 10 5.419 -4.867 -6.296 77 HA SER 10 HA SER 10 4.072 -2.682 -5.166 78 1HB SER 10 HB2 SER 10 3.976 -2.543 -7.429 79 2HB SER 10 HB1 SER 10 4.038 -4.293 -7.619 80 HG SER 10 HG SER 10 2.032 -3.412 -8.294 81 HA PRO 11 HA PRO 11 0.104 -5.489 -4.878 82 1HB PRO 11 HB2 PRO 11 1.031 -8.173 -4.420 83 2HB PRO 11 HB1 PRO 11 0.056 -7.567 -5.763 84 1HG PRO 11 HG2 PRO 11 2.791 -8.399 -5.832 85 2HG PRO 11 HG1 PRO 11 1.832 -7.736 -7.158 86 1HD PRO 11 HD2 PRO 11 3.979 -6.470 -5.694 87 2HD PRO 11 HD1 PRO 11 3.061 -5.819 -7.073 88 H GLU 12 HN GLU 12 3.075 -6.137 -3.077 89 HA GLU 12 HA GLU 12 2.068 -7.181 -0.667 90 1HB GLU 12 HB2 GLU 12 4.439 -6.873 -1.162 91 2HB GLU 12 HB1 GLU 12 4.233 -5.122 -1.189 92 1HG GLU 12 HG2 GLU 12 4.969 -5.359 0.985 93 2HG GLU 12 HG1 GLU 12 3.241 -5.585 1.252 94 H CYS 13 HN CYS 13 1.842 -3.906 -1.942 95 HA CYS 13 HA CYS 13 1.036 -2.604 0.503 96 1HB CYS 13 HB2 CYS 13 1.890 -1.296 -1.291 97 2HB CYS 13 HB1 CYS 13 0.794 -2.037 -2.456 98 H LEU 14 HN LEU 14 -0.767 -4.253 -2.100 99 HA LEU 14 HA LEU 14 -3.375 -3.455 -1.628 100 1HB LEU 14 HB2 LEU 14 -1.959 -5.782 -2.645 101 2HB LEU 14 HB1 LEU 14 -3.473 -6.249 -1.878 102 HG LEU 14 HG LEU 14 -3.948 -5.774 -4.197 103 1HD1 LEU 14 HD11 LEU 14 -5.118 -4.376 -2.038 104 2HD1 LEU 14 HD12 LEU 14 -5.842 -4.710 -3.611 105 3HD1 LEU 14 HD13 LEU 14 -4.960 -3.205 -3.348 106 1HD2 LEU 14 HD21 LEU 14 -3.089 -3.985 -5.380 107 2HD2 LEU 14 HD22 LEU 14 -1.804 -4.173 -4.187 108 3HD2 LEU 14 HD23 LEU 14 -3.042 -2.937 -3.962 109 HA PRO 15 HA PRO 15 -3.788 -6.603 2.049 110 1HB PRO 15 HB2 PRO 15 -1.128 -7.177 2.975 111 2HB PRO 15 HB1 PRO 15 -2.307 -8.309 2.308 112 1HG PRO 15 HG2 PRO 15 0.103 -7.332 1.076 113 2HG PRO 15 HG1 PRO 15 -1.057 -8.498 0.432 114 1HD PRO 15 HD2 PRO 15 -0.631 -5.791 -0.433 115 2HD PRO 15 HD1 PRO 15 -1.843 -6.948 -1.031 116 H LYS 16 HN LYS 16 -0.726 -4.742 2.139 117 HA LYS 16 HA LYS 16 -0.893 -3.753 4.785 118 1HB LYS 16 HB2 LYS 16 0.237 -2.669 2.194 119 2HB LYS 16 HB1 LYS 16 0.503 -1.867 3.742 120 1HG LYS 16 HG2 LYS 16 1.175 -4.775 3.216 121 2HG LYS 16 HG1 LYS 16 2.343 -3.458 3.095 122 1HD LYS 16 HD2 LYS 16 2.671 -3.540 5.316 123 2HD LYS 16 HD1 LYS 16 0.963 -3.181 5.581 124 1HE LYS 16 HE2 LYS 16 0.620 -5.298 6.301 125 2HE LYS 16 HE1 LYS 16 1.229 -5.934 4.760 126 1HZ LYS 16 HZ1 LYS 16 2.852 -5.087 7.100 127 2HZ LYS 16 HZ2 LYS 16 3.503 -5.493 5.584 128 3HZ LYS 16 HZ3 LYS 16 2.684 -6.665 6.502 129 H CYS 17 HN CYS 17 -2.299 -2.461 1.773 130 HA CYS 17 HA CYS 17 -3.307 -0.012 2.829 131 1HB CYS 17 HB2 CYS 17 -3.095 -0.978 0.411 132 2HB CYS 17 HB1 CYS 17 -4.691 -1.660 0.719 133 H LYS 18 HN LYS 18 -4.923 -3.194 2.456 134 HA LYS 18 HA LYS 18 -7.401 -2.394 3.678 135 1HB LYS 18 HB2 LYS 18 -7.057 -4.365 2.210 136 2HB LYS 18 HB1 LYS 18 -6.051 -5.107 3.454 137 1HG LYS 18 HG2 LYS 18 -8.017 -4.953 5.026 138 2HG LYS 18 HG1 LYS 18 -8.996 -4.429 3.656 139 1HD LYS 18 HD2 LYS 18 -7.399 -6.861 3.160 140 2HD LYS 18 HD1 LYS 18 -8.657 -7.044 4.383 141 1HE LYS 18 HE2 LYS 18 -10.362 -6.768 2.859 142 2HE LYS 18 HE1 LYS 18 -9.433 -5.613 1.881 143 1HZ LYS 18 HZ1 LYS 18 -8.538 -8.410 2.111 144 2HZ LYS 18 HZ2 LYS 18 -8.230 -7.285 0.875 145 3HZ LYS 18 HZ3 LYS 18 -9.760 -8.012 1.005 146 H GLU 19 HN GLU 19 -4.291 -3.210 4.974 147 HA GLU 19 HA GLU 19 -5.359 -3.804 7.674 148 1HB GLU 19 HB2 GLU 19 -3.158 -4.581 6.145 149 2HB GLU 19 HB1 GLU 19 -2.469 -3.500 7.357 150 1HG GLU 19 HG2 GLU 19 -3.592 -4.793 9.142 151 2HG GLU 19 HG1 GLU 19 -4.253 -5.886 7.924 152 H ALA 20 HN ALA 20 -4.312 -1.094 5.853 153 HA ALA 20 HA ALA 20 -3.579 0.448 8.302 154 1HB ALA 20 HB1 ALA 20 -2.436 1.878 6.807 155 2HB ALA 20 HB2 ALA 20 -3.423 1.374 5.435 156 3HB ALA 20 HB3 ALA 20 -2.209 0.280 6.098 157 H ILE 21 HN ILE 21 -5.277 1.319 5.265 158 HA ILE 21 HA ILE 21 -7.034 3.146 6.763 159 HB ILE 21 HB ILE 21 -7.894 3.561 4.403 160 1HG1 ILE 21 HG12 ILE 21 -5.529 1.979 3.451 161 2HG1 ILE 21 HG11 ILE 21 -7.047 1.138 3.769 162 1HG2 ILE 21 HG21 ILE 21 -6.132 4.951 5.362 163 2HG2 ILE 21 HG22 ILE 21 -5.770 4.638 3.664 164 3HG2 ILE 21 HG23 ILE 21 -4.914 3.753 4.927 165 1HD1 ILE 21 HD11 ILE 21 -7.974 1.943 1.879 166 2HD1 ILE 21 HD12 ILE 21 -6.376 2.544 1.437 167 3HD1 ILE 21 HD13 ILE 21 -7.509 3.595 2.289 168 H GLY 22 HN GLY 22 -7.240 -0.033 5.239 169 1HA GLY 22 HA2 GLY 22 -8.948 -1.579 6.176 170 2HA GLY 22 HA1 GLY 22 -10.054 -0.207 6.237 171 H LYS 23 HN LYS 23 -8.052 -0.386 3.437 172 HA LYS 23 HA LYS 23 -10.093 -1.872 1.877 173 1HB LYS 23 HB2 LYS 23 -9.651 1.060 1.929 174 2HB LYS 23 HB1 LYS 23 -9.812 0.347 0.324 175 1HG LYS 23 HG2 LYS 23 -11.774 -0.672 2.260 176 2HG LYS 23 HG1 LYS 23 -11.921 1.058 1.952 177 1HD LYS 23 HD2 LYS 23 -12.680 0.728 -0.157 178 2HD LYS 23 HD1 LYS 23 -11.475 -0.518 -0.484 179 1HE LYS 23 HE2 LYS 23 -13.507 -1.383 1.456 180 2HE LYS 23 HE1 LYS 23 -14.178 -1.000 -0.142 181 1HZ LYS 23 HZ1 LYS 23 -11.650 -2.482 0.009 182 2HZ LYS 23 HZ2 LYS 23 -12.868 -2.543 -1.175 183 3HZ LYS 23 HZ3 LYS 23 -13.089 -3.324 0.317 184 H ALA 24 HN ALA 24 -8.946 -3.192 0.535 185 HA ALA 24 HA ALA 24 -6.099 -2.719 0.017 186 1HB ALA 24 HB1 ALA 24 -6.858 -4.852 -1.517 187 2HB ALA 24 HB2 ALA 24 -8.142 -4.836 -0.307 188 3HB ALA 24 HB3 ALA 24 -6.457 -4.970 0.196 189 H ALA 25 HN ALA 25 -6.370 -0.663 -1.228 190 HA ALA 25 HA ALA 25 -6.866 -1.239 -4.107 191 1HB ALA 25 HB1 ALA 25 -8.918 -0.287 -3.810 192 2HB ALA 25 HB2 ALA 25 -8.021 1.232 -3.784 193 3HB ALA 25 HB3 ALA 25 -8.456 0.437 -2.270 194 H GLY 26 HN GLY 26 -4.573 -0.960 -4.407 195 1HA GLY 26 HA2 GLY 26 -3.657 1.602 -5.082 196 2HA GLY 26 HA1 GLY 26 -3.143 1.336 -3.418 197 H LYS 27 HN LYS 27 -0.918 1.397 -4.279 198 HA LYS 27 HA LYS 27 -0.046 -1.311 -5.166 199 1HB LYS 27 HB2 LYS 27 0.190 1.291 -6.645 200 2HB LYS 27 HB1 LYS 27 1.479 0.101 -6.812 201 1HG LYS 27 HG2 LYS 27 0.131 -1.418 -7.907 202 2HG LYS 27 HG1 LYS 27 -1.334 -0.860 -7.101 203 1HD LYS 27 HD2 LYS 27 0.140 0.880 -9.078 204 2HD LYS 27 HD1 LYS 27 -1.085 -0.280 -9.597 205 1HE LYS 27 HE2 LYS 27 -2.684 1.237 -9.080 206 2HE LYS 27 HE1 LYS 27 -2.169 1.166 -7.383 207 1HZ LYS 27 HZ1 LYS 27 -0.758 2.752 -9.457 208 2HZ LYS 27 HZ2 LYS 27 -0.504 2.790 -7.777 209 3HZ LYS 27 HZ3 LYS 27 -1.943 3.406 -8.436 210 H CYS 28 HN CYS 28 2.659 -0.675 -5.571 211 HA CYS 28 HA CYS 28 3.478 0.737 -3.064 212 1HB CYS 28 HB2 CYS 28 3.272 -1.980 -3.258 213 2HB CYS 28 HB1 CYS 28 4.950 -1.734 -3.746 214 H MET 29 HN MET 29 5.102 2.144 -3.495 215 HA MET 29 HA MET 29 7.035 1.537 -5.686 216 1HB MET 29 HB2 MET 29 5.036 2.980 -6.401 217 2HB MET 29 HB1 MET 29 5.680 4.221 -5.326 218 1HG MET 29 HG2 MET 29 7.642 4.483 -6.600 219 2HG MET 29 HG1 MET 29 7.437 2.926 -7.404 220 1HE MET 29 HE1 MET 29 5.184 3.067 -9.995 221 2HE MET 29 HE2 MET 29 4.058 3.280 -8.657 222 3HE MET 29 HE3 MET 29 5.489 2.277 -8.442 223 H ASN 30 HN ASN 30 8.965 3.055 -5.514 224 HA ASN 30 HA ASN 30 10.730 3.878 -4.159 225 1HB ASN 30 HB2 ASN 30 8.189 5.253 -3.565 226 2HB ASN 30 HB1 ASN 30 9.404 5.423 -2.298 227 1HD2 ASN 30 HD21 ASN 30 8.378 7.373 -4.473 228 2HD2 ASN 30 HD22 ASN 30 9.800 7.942 -5.204 229 H GLY 31 HN GLY 31 9.142 1.368 -3.278 230 1HA GLY 31 HA2 GLY 31 9.431 -0.160 -1.506 231 2HA GLY 31 HA1 GLY 31 10.525 1.001 -0.749 232 H LYS 32 HN LYS 32 7.202 1.703 -1.723 233 HA LYS 32 HA LYS 32 6.305 1.614 1.111 234 1HB LYS 32 HB2 LYS 32 6.312 4.078 -0.663 235 2HB LYS 32 HB1 LYS 32 5.605 3.993 0.951 236 1HG LYS 32 HG2 LYS 32 7.852 3.351 1.849 237 2HG LYS 32 HG1 LYS 32 8.526 3.599 0.239 238 1HD LYS 32 HD2 LYS 32 8.026 5.928 0.276 239 2HD LYS 32 HD1 LYS 32 6.977 5.754 1.683 240 1HE LYS 32 HE2 LYS 32 8.913 6.536 2.721 241 2HE LYS 32 HE1 LYS 32 9.234 4.792 2.771 242 1HZ LYS 32 HZ1 LYS 32 10.697 4.906 1.058 243 2HZ LYS 32 HZ2 LYS 32 10.914 6.485 1.647 244 3HZ LYS 32 HZ3 LYS 32 9.907 6.206 0.308 245 H CYS 33 HN CYS 33 4.037 1.404 1.292 246 HA CYS 33 HA CYS 33 2.630 0.512 -1.129 247 1HB CYS 33 HB2 CYS 33 2.236 -0.799 0.772 248 2HB CYS 33 HB1 CYS 33 2.191 0.596 1.843 249 H LYS 34 HN LYS 34 0.998 1.641 -2.181 250 HA LYS 34 HA LYS 34 0.382 4.400 -1.175 251 1HB LYS 34 HB2 LYS 34 0.264 3.300 -3.999 252 2HB LYS 34 HB1 LYS 34 0.189 4.993 -3.516 253 1HG LYS 34 HG2 LYS 34 2.438 5.155 -3.387 254 2HG LYS 34 HG1 LYS 34 2.567 3.651 -2.475 255 1HD LYS 34 HD2 LYS 34 3.629 3.009 -4.427 256 2HD LYS 34 HD1 LYS 34 1.968 2.581 -4.840 257 1HE LYS 34 HE2 LYS 34 2.408 5.372 -5.444 258 2HE LYS 34 HE1 LYS 34 3.648 4.381 -6.237 259 1HZ LYS 34 HZ1 LYS 34 1.877 2.879 -6.985 260 2HZ LYS 34 HZ2 LYS 34 1.670 4.448 -7.602 261 3HZ LYS 34 HZ3 LYS 34 0.713 3.909 -6.306 262 H CYS 35 HN CYS 35 -1.839 5.060 -1.276 263 HA CYS 35 HA CYS 35 -3.829 2.990 -2.099 264 1HB CYS 35 HB2 CYS 35 -3.535 4.360 0.587 265 2HB CYS 35 HB1 CYS 35 -5.006 3.515 0.101 266 H TYR 36 HN TYR 36 -5.829 3.891 -2.772 267 HA TYR 36 HA TYR 36 -5.933 6.890 -2.880 268 1HB TYR 36 HB2 TYR 36 -6.763 4.776 -4.891 269 2HB TYR 36 HB1 TYR 36 -7.085 6.499 -5.082 270 HD1 TYR 36 HD1 TYR 36 -4.526 7.572 -3.871 271 HD2 TYR 36 HD2 TYR 36 -5.229 4.406 -6.690 272 HE1 TYR 36 HE1 TYR 36 -2.254 7.898 -4.802 273 HE2 TYR 36 HE2 TYR 36 -2.955 4.734 -7.621 274 HH TYR 36 HH TYR 36 -0.935 5.710 -7.238 275 HA PRO 37 HA PRO 37 -9.617 5.720 -0.461 276 1HB PRO 37 HB2 PRO 37 -10.050 8.540 -0.086 277 2HB PRO 37 HB1 PRO 37 -9.469 7.362 1.095 278 1HG PRO 37 HG2 PRO 37 -7.973 9.440 -0.197 279 2HG PRO 37 HG1 PRO 37 -7.394 8.255 0.976 280 1HD PRO 37 HD2 PRO 37 -6.828 8.367 -1.851 281 2HD PRO 37 HD1 PRO 37 -6.248 7.171 -0.668 Start of MODEL 22 1 1H VAL 1 HT1 VAL 1 0.004 10.634 2.199 2 2H VAL 1 HT2 VAL 1 -1.324 10.946 1.186 3 3H VAL 1 HT3 VAL 1 -0.182 9.766 0.754 4 HA VAL 1 HA VAL 1 -1.556 9.421 3.318 5 HB VAL 1 HB VAL 1 -3.318 10.180 1.804 6 1HG1 VAL 1 HG11 VAL 1 -2.305 9.870 -0.343 7 2HG1 VAL 1 HG12 VAL 1 -3.707 8.801 -0.307 8 3HG1 VAL 1 HG13 VAL 1 -2.089 8.142 -0.065 9 1HG2 VAL 1 HG21 VAL 1 -3.854 7.313 1.510 10 2HG2 VAL 1 HG22 VAL 1 -4.718 8.523 2.460 11 3HG2 VAL 1 HG23 VAL 1 -3.284 7.739 3.124 12 H PHE 2 HN PHE 2 0.973 8.504 2.471 13 HA PHE 2 HA PHE 2 0.429 5.644 1.736 14 1HB PHE 2 HB2 PHE 2 2.921 7.344 1.387 15 2HB PHE 2 HB1 PHE 2 2.710 5.691 0.810 16 HD1 PHE 2 HD1 PHE 2 -0.350 6.251 0.153 17 HD2 PHE 2 HD2 PHE 2 3.352 8.150 -0.914 18 HE1 PHE 2 HE1 PHE 2 -1.388 7.103 -1.929 19 HE2 PHE 2 HE2 PHE 2 2.312 9.004 -2.997 20 HZ PHE 2 HZ PHE 2 -0.059 8.481 -3.505 21 H ILE 3 HN ILE 3 1.947 4.076 2.764 22 HA ILE 3 HA ILE 3 2.683 4.944 5.537 23 HB ILE 3 HB ILE 3 2.541 2.378 5.880 24 1HG1 ILE 3 HG12 ILE 3 0.800 2.454 3.432 25 2HG1 ILE 3 HG11 ILE 3 2.528 2.147 3.257 26 1HG2 ILE 3 HG21 ILE 3 -0.136 2.664 5.516 27 2HG2 ILE 3 HG22 ILE 3 0.368 4.353 5.471 28 3HG2 ILE 3 HG23 ILE 3 0.736 3.359 6.880 29 1HD1 ILE 3 HD11 ILE 3 0.493 0.308 4.038 30 2HD1 ILE 3 HD12 ILE 3 1.550 0.555 5.428 31 3HD1 ILE 3 HD13 ILE 3 2.226 0.011 3.893 32 H ASN 4 HN ASN 4 4.729 4.159 6.376 33 HA ASN 4 HA ASN 4 6.751 3.707 4.236 34 1HB ASN 4 HB2 ASN 4 8.305 4.399 6.072 35 2HB ASN 4 HB1 ASN 4 7.043 5.594 5.764 36 1HD2 ASN 4 HD21 ASN 4 8.428 5.315 8.318 37 2HD2 ASN 4 HD22 ASN 4 7.268 4.858 9.470 38 H ALA 5 HN ALA 5 5.393 1.384 4.562 39 HA ALA 5 HA ALA 5 6.758 -0.269 6.618 40 1HB ALA 5 HB1 ALA 5 4.885 -1.558 6.426 41 2HB ALA 5 HB2 ALA 5 4.940 -1.524 4.664 42 3HB ALA 5 HB3 ALA 5 4.217 -0.181 5.548 43 H LYS 6 HN LYS 6 7.854 0.897 3.881 44 HA LYS 6 HA LYS 6 9.268 0.130 2.142 45 1HB LYS 6 HB2 LYS 6 9.819 -1.374 4.659 46 2HB LYS 6 HB1 LYS 6 10.615 -1.948 3.193 47 1HG LYS 6 HG2 LYS 6 10.693 0.919 4.179 48 2HG LYS 6 HG1 LYS 6 11.981 -0.261 4.428 49 1HD LYS 6 HD2 LYS 6 11.557 -0.487 1.731 50 2HD LYS 6 HD1 LYS 6 11.244 1.229 1.991 51 1HE LYS 6 HE2 LYS 6 13.670 0.709 1.501 52 2HE LYS 6 HE1 LYS 6 13.428 1.505 3.069 53 1HZ LYS 6 HZ1 LYS 6 13.889 -0.373 4.202 54 2HZ LYS 6 HZ2 LYS 6 14.726 -0.809 2.791 55 3HZ LYS 6 HZ3 LYS 6 13.151 -1.385 3.059 56 H CYS 7 HN CYS 7 7.462 -0.621 0.768 57 HA CYS 7 HA CYS 7 6.411 -3.308 0.950 58 1HB CYS 7 HB2 CYS 7 5.586 -2.726 -1.357 59 2HB CYS 7 HB1 CYS 7 5.227 -1.486 -0.156 60 H ARG 8 HN ARG 8 6.703 -4.437 -1.545 61 HA ARG 8 HA ARG 8 9.649 -4.664 -2.008 62 1HB ARG 8 HB2 ARG 8 7.655 -6.786 -1.215 63 2HB ARG 8 HB1 ARG 8 9.142 -7.211 -2.062 64 1HG ARG 8 HG2 ARG 8 9.442 -5.384 0.261 65 2HG ARG 8 HG1 ARG 8 8.985 -7.047 0.634 66 1HD ARG 8 HD2 ARG 8 11.010 -7.891 -0.041 67 2HD ARG 8 HD1 ARG 8 11.171 -6.717 -1.361 68 HE ARG 8 HE ARG 8 12.096 -5.144 0.184 69 1HH1 ARG 8 HH11 ARG 8 13.030 -7.919 1.323 70 2HH1 ARG 8 HH12 ARG 8 12.821 -7.616 3.017 71 1HH2 ARG 8 HH21 ARG 8 10.900 -4.768 2.540 72 2HH2 ARG 8 HH22 ARG 8 11.615 -5.833 3.706 73 H GLY 9 HN GLY 9 6.346 -5.335 -3.148 74 1HA GLY 9 HA2 GLY 9 7.399 -5.185 -5.931 75 2HA GLY 9 HA1 GLY 9 6.353 -6.531 -5.484 76 H SER 10 HN SER 10 4.229 -5.701 -4.319 77 HA SER 10 HA SER 10 3.139 -3.140 -4.767 78 1HB SER 10 HB2 SER 10 3.647 -4.637 -7.158 79 2HB SER 10 HB1 SER 10 1.905 -4.459 -6.977 80 HG SER 10 HG SER 10 3.620 -2.665 -7.822 81 HA PRO 11 HA PRO 11 -0.544 -6.331 -4.700 82 1HB PRO 11 HB2 PRO 11 0.634 -8.918 -4.242 83 2HB PRO 11 HB1 PRO 11 -0.344 -8.390 -5.614 84 1HG PRO 11 HG2 PRO 11 2.490 -8.896 -5.545 85 2HG PRO 11 HG1 PRO 11 1.499 -8.421 -6.927 86 1HD PRO 11 HD2 PRO 11 3.428 -6.825 -5.546 87 2HD PRO 11 HD1 PRO 11 2.348 -6.310 -6.863 88 H GLU 12 HN GLU 12 2.426 -6.724 -2.840 89 HA GLU 12 HA GLU 12 1.334 -7.814 -0.439 90 1HB GLU 12 HB2 GLU 12 3.718 -6.216 -1.277 91 2HB GLU 12 HB1 GLU 12 3.386 -6.337 0.452 92 1HG GLU 12 HG2 GLU 12 3.971 -8.527 0.530 93 2HG GLU 12 HG1 GLU 12 3.139 -8.893 -0.982 94 H CYS 13 HN CYS 13 1.147 -4.618 -1.829 95 HA CYS 13 HA CYS 13 0.537 -3.154 0.585 96 1HB CYS 13 HB2 CYS 13 1.124 -2.572 -2.015 97 2HB CYS 13 HB1 CYS 13 -0.618 -2.299 -2.011 98 H LEU 14 HN LEU 14 -1.388 -5.045 -1.697 99 HA LEU 14 HA LEU 14 -3.983 -4.146 -1.087 100 1HB LEU 14 HB2 LEU 14 -2.659 -6.439 -2.266 101 2HB LEU 14 HB1 LEU 14 -4.084 -6.949 -1.361 102 HG LEU 14 HG LEU 14 -4.541 -6.341 -3.773 103 1HD1 LEU 14 HD11 LEU 14 -6.261 -4.396 -2.740 104 2HD1 LEU 14 HD12 LEU 14 -5.903 -5.436 -1.361 105 3HD1 LEU 14 HD13 LEU 14 -6.582 -6.128 -2.834 106 1HD2 LEU 14 HD21 LEU 14 -3.028 -4.050 -3.008 107 2HD2 LEU 14 HD22 LEU 14 -4.665 -3.501 -3.366 108 3HD2 LEU 14 HD23 LEU 14 -3.749 -4.393 -4.581 109 HA PRO 15 HA PRO 15 -4.163 -7.392 2.529 110 1HB PRO 15 HB2 PRO 15 -1.444 -7.958 3.278 111 2HB PRO 15 HB1 PRO 15 -2.658 -9.087 2.669 112 1HG PRO 15 HG2 PRO 15 -0.341 -8.059 1.300 113 2HG PRO 15 HG1 PRO 15 -1.524 -9.235 0.718 114 1HD PRO 15 HD2 PRO 15 -1.195 -6.526 -0.160 115 2HD PRO 15 HD1 PRO 15 -2.452 -7.682 -0.658 116 H LYS 16 HN LYS 16 -1.071 -5.569 2.587 117 HA LYS 16 HA LYS 16 -1.263 -4.627 5.268 118 1HB LYS 16 HB2 LYS 16 0.178 -3.946 2.751 119 2HB LYS 16 HB1 LYS 16 0.178 -2.716 4.016 120 1HG LYS 16 HG2 LYS 16 1.500 -3.956 5.402 121 2HG LYS 16 HG1 LYS 16 0.722 -5.472 4.946 122 1HD LYS 16 HD2 LYS 16 1.918 -5.157 2.666 123 2HD LYS 16 HD1 LYS 16 2.930 -3.994 3.524 124 1HE LYS 16 HE2 LYS 16 3.826 -5.640 4.955 125 2HE LYS 16 HE1 LYS 16 2.491 -6.767 4.642 126 1HZ LYS 16 HZ1 LYS 16 3.209 -6.774 2.275 127 2HZ LYS 16 HZ2 LYS 16 4.343 -7.467 3.335 128 3HZ LYS 16 HZ3 LYS 16 4.590 -5.900 2.729 129 H CYS 17 HN CYS 17 -2.277 -3.068 2.202 130 HA CYS 17 HA CYS 17 -3.283 -0.658 3.369 131 1HB CYS 17 HB2 CYS 17 -2.779 -1.326 0.921 132 2HB CYS 17 HB1 CYS 17 -4.391 -2.044 0.922 133 H LYS 18 HN LYS 18 -4.916 -3.737 2.563 134 HA LYS 18 HA LYS 18 -7.560 -3.006 3.298 135 1HB LYS 18 HB2 LYS 18 -6.662 -5.081 2.110 136 2HB LYS 18 HB1 LYS 18 -6.228 -5.698 3.704 137 1HG LYS 18 HG2 LYS 18 -8.766 -5.026 4.227 138 2HG LYS 18 HG1 LYS 18 -8.925 -5.307 2.492 139 1HD LYS 18 HD2 LYS 18 -7.751 -7.267 4.486 140 2HD LYS 18 HD1 LYS 18 -9.357 -7.378 3.769 141 1HE LYS 18 HE2 LYS 18 -8.422 -7.669 1.549 142 2HE LYS 18 HE1 LYS 18 -6.784 -7.350 2.153 143 1HZ LYS 18 HZ1 LYS 18 -7.275 -9.224 3.792 144 2HZ LYS 18 HZ2 LYS 18 -6.950 -9.665 2.183 145 3HZ LYS 18 HZ3 LYS 18 -8.549 -9.645 2.754 146 H GLU 19 HN GLU 19 -4.777 -3.885 5.266 147 HA GLU 19 HA GLU 19 -6.487 -3.892 7.718 148 1HB GLU 19 HB2 GLU 19 -4.759 -5.724 6.952 149 2HB GLU 19 HB1 GLU 19 -3.566 -4.595 7.595 150 1HG GLU 19 HG2 GLU 19 -5.028 -4.527 9.714 151 2HG GLU 19 HG1 GLU 19 -5.823 -5.962 9.062 152 H ALA 20 HN ALA 20 -4.751 -1.724 5.922 153 HA ALA 20 HA ALA 20 -3.720 -0.255 8.323 154 1HB ALA 20 HB1 ALA 20 -2.418 0.957 6.456 155 2HB ALA 20 HB2 ALA 20 -3.007 -0.315 5.384 156 3HB ALA 20 HB3 ALA 20 -1.983 -0.725 6.760 157 H ILE 21 HN ILE 21 -4.994 0.565 5.071 158 HA ILE 21 HA ILE 21 -6.208 3.031 6.164 159 HB ILE 21 HB ILE 21 -4.880 2.764 3.985 160 1HG1 ILE 21 HG12 ILE 21 -7.670 3.949 3.988 161 2HG1 ILE 21 HG11 ILE 21 -6.157 4.779 4.356 162 1HG2 ILE 21 HG21 ILE 21 -7.508 1.526 3.113 163 2HG2 ILE 21 HG22 ILE 21 -5.972 0.672 3.255 164 3HG2 ILE 21 HG23 ILE 21 -6.166 1.944 2.048 165 1HD1 ILE 21 HD11 ILE 21 -7.022 5.210 2.026 166 2HD1 ILE 21 HD12 ILE 21 -6.759 3.502 1.676 167 3HD1 ILE 21 HD13 ILE 21 -5.391 4.539 2.076 168 H GLY 22 HN GLY 22 -7.215 -0.036 4.655 169 1HA GLY 22 HA2 GLY 22 -9.302 -1.101 5.439 170 2HA GLY 22 HA1 GLY 22 -9.989 0.516 5.621 171 H LYS 23 HN LYS 23 -8.002 -0.262 2.875 172 HA LYS 23 HA LYS 23 -10.374 -0.685 1.133 173 1HB LYS 23 HB2 LYS 23 -8.897 1.784 1.514 174 2HB LYS 23 HB1 LYS 23 -8.768 1.241 -0.160 175 1HG LYS 23 HG2 LYS 23 -11.476 0.898 0.821 176 2HG LYS 23 HG1 LYS 23 -10.949 2.572 1.007 177 1HD LYS 23 HD2 LYS 23 -11.681 2.667 -1.177 178 2HD LYS 23 HD1 LYS 23 -10.017 2.152 -1.463 179 1HE LYS 23 HE2 LYS 23 -10.653 0.060 -2.147 180 2HE LYS 23 HE1 LYS 23 -11.951 -0.042 -0.941 181 1HZ LYS 23 HZ1 LYS 23 -12.358 0.461 -3.553 182 2HZ LYS 23 HZ2 LYS 23 -12.299 2.036 -2.920 183 3HZ LYS 23 HZ3 LYS 23 -13.423 0.917 -2.314 184 H ALA 24 HN ALA 24 -9.837 -2.258 -0.326 185 HA ALA 24 HA ALA 24 -7.119 -3.277 -0.510 186 1HB ALA 24 HB1 ALA 24 -9.622 -4.284 -0.799 187 2HB ALA 24 HB2 ALA 24 -8.188 -5.068 -1.462 188 3HB ALA 24 HB3 ALA 24 -9.190 -4.048 -2.493 189 H ALA 25 HN ALA 25 -6.929 -0.628 -1.325 190 HA ALA 25 HA ALA 25 -6.362 -0.944 -4.245 191 1HB ALA 25 HB1 ALA 25 -8.357 0.290 -4.288 192 2HB ALA 25 HB2 ALA 25 -7.144 1.572 -4.266 193 3HB ALA 25 HB3 ALA 25 -7.982 1.125 -2.780 194 H GLY 26 HN GLY 26 -4.136 -0.789 -4.272 195 1HA GLY 26 HA2 GLY 26 -2.797 1.638 -3.631 196 2HA GLY 26 HA1 GLY 26 -2.563 0.512 -2.292 197 H LYS 27 HN LYS 27 -0.301 1.215 -3.563 198 HA LYS 27 HA LYS 27 0.480 -1.302 -4.934 199 1HB LYS 27 HB2 LYS 27 0.754 1.495 -6.083 200 2HB LYS 27 HB1 LYS 27 1.490 0.053 -6.783 201 1HG LYS 27 HG2 LYS 27 -0.882 -0.942 -6.801 202 2HG LYS 27 HG1 LYS 27 -1.446 0.705 -6.518 203 1HD LYS 27 HD2 LYS 27 0.138 -0.328 -8.879 204 2HD LYS 27 HD1 LYS 27 -1.467 0.403 -8.891 205 1HE LYS 27 HE2 LYS 27 1.069 1.857 -8.052 206 2HE LYS 27 HE1 LYS 27 0.289 2.016 -9.637 207 1HZ LYS 27 HZ1 LYS 27 -1.130 3.452 -8.743 208 2HZ LYS 27 HZ2 LYS 27 -0.427 3.258 -7.210 209 3HZ LYS 27 HZ3 LYS 27 -1.701 2.246 -7.697 210 H CYS 28 HN CYS 28 3.030 -0.786 -5.597 211 HA CYS 28 HA CYS 28 4.282 0.333 -3.107 212 1HB CYS 28 HB2 CYS 28 4.514 -2.026 -3.032 213 2HB CYS 28 HB1 CYS 28 4.809 -2.137 -4.766 214 H MET 29 HN MET 29 5.534 2.092 -3.578 215 HA MET 29 HA MET 29 7.136 2.106 -6.086 216 1HB MET 29 HB2 MET 29 4.753 3.213 -6.208 217 2HB MET 29 HB1 MET 29 5.519 4.520 -5.304 218 1HG MET 29 HG2 MET 29 7.142 3.593 -7.563 219 2HG MET 29 HG1 MET 29 5.574 4.234 -8.058 220 1HE MET 29 HE1 MET 29 5.007 6.126 -8.429 221 2HE MET 29 HE2 MET 29 5.853 7.660 -8.249 222 3HE MET 29 HE3 MET 29 4.825 7.072 -6.945 223 H ASN 30 HN ASN 30 9.131 3.070 -5.741 224 HA ASN 30 HA ASN 30 10.867 4.218 -4.616 225 1HB ASN 30 HB2 ASN 30 8.597 5.771 -4.518 226 2HB ASN 30 HB1 ASN 30 9.013 5.631 -2.810 227 1HD2 ASN 30 HD21 ASN 30 10.278 6.701 -5.971 228 2HD2 ASN 30 HD22 ASN 30 11.505 7.685 -5.332 229 H GLY 31 HN GLY 31 9.064 1.876 -3.336 230 1HA GLY 31 HA2 GLY 31 9.711 0.439 -1.537 231 2HA GLY 31 HA1 GLY 31 10.717 1.738 -0.894 232 H LYS 32 HN LYS 32 7.472 2.494 -1.845 233 HA LYS 32 HA LYS 32 6.664 2.567 1.046 234 1HB LYS 32 HB2 LYS 32 6.030 4.512 -1.201 235 2HB LYS 32 HB1 LYS 32 5.531 4.682 0.482 236 1HG LYS 32 HG2 LYS 32 8.202 4.344 0.814 237 2HG LYS 32 HG1 LYS 32 8.186 5.141 -0.759 238 1HD LYS 32 HD2 LYS 32 6.988 7.025 0.106 239 2HD LYS 32 HD1 LYS 32 6.638 6.191 1.619 240 1HE LYS 32 HE2 LYS 32 9.273 6.044 1.807 241 2HE LYS 32 HE1 LYS 32 9.214 7.432 0.701 242 1HZ LYS 32 HZ1 LYS 32 8.246 7.207 3.443 243 2HZ LYS 32 HZ2 LYS 32 7.270 8.089 2.368 244 3HZ LYS 32 HZ3 LYS 32 8.886 8.551 2.629 245 H CYS 33 HN CYS 33 4.276 2.462 1.341 246 HA CYS 33 HA CYS 33 2.989 0.773 -0.779 247 1HB CYS 33 HB2 CYS 33 3.443 0.383 1.923 248 2HB CYS 33 HB1 CYS 33 1.783 0.969 1.902 249 H LYS 34 HN LYS 34 1.799 2.219 -2.057 250 HA LYS 34 HA LYS 34 0.493 4.556 -0.816 251 1HB LYS 34 HB2 LYS 34 0.645 3.487 -3.651 252 2HB LYS 34 HB1 LYS 34 -0.040 5.050 -3.204 253 1HG LYS 34 HG2 LYS 34 2.024 5.954 -2.653 254 2HG LYS 34 HG1 LYS 34 2.727 4.382 -2.271 255 1HD LYS 34 HD2 LYS 34 3.738 4.678 -4.305 256 2HD LYS 34 HD1 LYS 34 2.219 4.006 -4.894 257 1HE LYS 34 HE2 LYS 34 2.258 6.951 -4.423 258 2HE LYS 34 HE1 LYS 34 3.188 6.353 -5.810 259 1HZ LYS 34 HZ1 LYS 34 1.208 6.279 -6.832 260 2HZ LYS 34 HZ2 LYS 34 0.331 6.351 -5.379 261 3HZ LYS 34 HZ3 LYS 34 0.943 4.867 -5.931 262 H CYS 35 HN CYS 35 -1.787 4.930 -0.922 263 HA CYS 35 HA CYS 35 -3.526 2.624 -1.664 264 1HB CYS 35 HB2 CYS 35 -3.161 3.922 1.034 265 2HB CYS 35 HB1 CYS 35 -4.686 3.140 0.621 266 H TYR 36 HN TYR 36 -5.443 3.347 -2.586 267 HA TYR 36 HA TYR 36 -5.830 6.291 -2.784 268 1HB TYR 36 HB2 TYR 36 -6.515 3.836 -4.322 269 2HB TYR 36 HB1 TYR 36 -7.650 5.180 -4.446 270 HD1 TYR 36 HD1 TYR 36 -7.200 5.876 -6.695 271 HD2 TYR 36 HD2 TYR 36 -3.996 5.484 -3.863 272 HE1 TYR 36 HE1 TYR 36 -5.668 7.027 -8.270 273 HE2 TYR 36 HE2 TYR 36 -2.463 6.634 -5.437 274 HH TYR 36 HH TYR 36 -2.856 8.383 -7.435 275 HA PRO 37 HA PRO 37 -9.257 6.450 -0.025 276 1HB PRO 37 HB2 PRO 37 -10.836 8.094 -1.780 277 2HB PRO 37 HB1 PRO 37 -9.874 8.601 -0.387 278 1HG PRO 37 HG2 PRO 37 -9.313 9.040 -3.169 279 2HG PRO 37 HG1 PRO 37 -8.358 9.549 -1.774 280 1HD PRO 37 HD2 PRO 37 -7.731 7.480 -3.678 281 2HD PRO 37 HD1 PRO 37 -6.783 7.974 -2.255 Start of MODEL 23 1 1H VAL 1 HT1 VAL 1 -4.526 6.691 2.439 2 2H VAL 1 HT2 VAL 1 -3.391 5.455 2.704 3 3H VAL 1 HT3 VAL 1 -3.839 5.876 1.120 4 HA VAL 1 HA VAL 1 -2.738 7.966 1.253 5 HB VAL 1 HB VAL 1 -1.634 8.419 3.575 6 1HG1 VAL 1 HG11 VAL 1 -4.657 8.495 3.389 7 2HG1 VAL 1 HG12 VAL 1 -3.596 9.627 2.551 8 3HG1 VAL 1 HG13 VAL 1 -3.618 9.580 4.314 9 1HG2 VAL 1 HG21 VAL 1 -3.858 6.534 4.415 10 2HG2 VAL 1 HG22 VAL 1 -2.709 7.363 5.466 11 3HG2 VAL 1 HG23 VAL 1 -2.155 6.080 4.392 12 H PHE 2 HN PHE 2 -0.194 8.142 2.400 13 HA PHE 2 HA PHE 2 1.123 5.715 1.250 14 1HB PHE 2 HB2 PHE 2 2.061 8.556 1.758 15 2HB PHE 2 HB1 PHE 2 3.051 7.295 1.028 16 HD1 PHE 2 HD1 PHE 2 2.578 9.787 -0.440 17 HD2 PHE 2 HD2 PHE 2 0.180 6.226 -0.243 18 HE1 PHE 2 HE1 PHE 2 1.610 10.312 -2.659 19 HE2 PHE 2 HE2 PHE 2 -0.785 6.753 -2.461 20 HZ PHE 2 HZ PHE 2 -0.071 8.797 -3.672 21 H ILE 3 HN ILE 3 2.565 4.531 2.493 22 HA ILE 3 HA ILE 3 3.170 5.519 5.259 23 HB ILE 3 HB ILE 3 2.753 3.056 5.906 24 1HG1 ILE 3 HG12 ILE 3 1.430 3.158 3.177 25 2HG1 ILE 3 HG11 ILE 3 2.766 2.111 3.655 26 1HG2 ILE 3 HG21 ILE 3 0.100 3.828 5.141 27 2HG2 ILE 3 HG22 ILE 3 0.998 5.279 5.588 28 3HG2 ILE 3 HG23 ILE 3 0.857 3.943 6.730 29 1HD1 ILE 3 HD11 ILE 3 -0.115 1.823 4.172 30 2HD1 ILE 3 HD12 ILE 3 0.893 1.573 5.599 31 3HD1 ILE 3 HD13 ILE 3 1.152 0.597 4.154 32 H ASN 4 HN ASN 4 5.288 5.078 5.898 33 HA ASN 4 HA ASN 4 7.140 4.044 3.881 34 1HB ASN 4 HB2 ASN 4 8.808 4.717 5.531 35 2HB ASN 4 HB1 ASN 4 7.563 5.963 5.445 36 1HD2 ASN 4 HD21 ASN 4 9.379 4.357 7.676 37 2HD2 ASN 4 HD22 ASN 4 8.303 4.356 8.989 38 H ALA 5 HN ALA 5 6.031 1.835 3.870 39 HA ALA 5 HA ALA 5 6.863 0.133 6.189 40 1HB ALA 5 HB1 ALA 5 5.046 -1.267 5.561 41 2HB ALA 5 HB2 ALA 5 4.974 -0.578 3.939 42 3HB ALA 5 HB3 ALA 5 4.436 0.371 5.326 43 H LYS 6 HN LYS 6 8.344 1.098 3.557 44 HA LYS 6 HA LYS 6 9.793 0.116 1.952 45 1HB LYS 6 HB2 LYS 6 10.727 -0.325 4.279 46 2HB LYS 6 HB1 LYS 6 10.028 -1.940 4.164 47 1HG LYS 6 HG2 LYS 6 12.326 -2.096 3.444 48 2HG LYS 6 HG1 LYS 6 11.311 -2.248 2.010 49 1HD LYS 6 HD2 LYS 6 11.760 -0.018 1.324 50 2HD LYS 6 HD1 LYS 6 12.420 0.418 2.901 51 1HE LYS 6 HE2 LYS 6 14.339 0.104 1.517 52 2HE LYS 6 HE1 LYS 6 14.208 -1.413 2.427 53 1HZ LYS 6 HZ1 LYS 6 13.143 -2.470 0.646 54 2HZ LYS 6 HZ2 LYS 6 14.420 -1.615 -0.080 55 3HZ LYS 6 HZ3 LYS 6 12.834 -1.012 -0.164 56 H CYS 7 HN CYS 7 7.078 -0.621 1.485 57 HA CYS 7 HA CYS 7 6.368 -3.303 1.368 58 1HB CYS 7 HB2 CYS 7 5.106 -2.647 -0.669 59 2HB CYS 7 HB1 CYS 7 4.999 -1.411 0.584 60 H ARG 8 HN ARG 8 6.684 -4.983 -0.243 61 HA ARG 8 HA ARG 8 9.358 -4.827 -1.556 62 1HB ARG 8 HB2 ARG 8 7.579 -6.927 -0.403 63 2HB ARG 8 HB1 ARG 8 8.626 -7.410 -1.736 64 1HG ARG 8 HG2 ARG 8 9.723 -5.854 0.601 65 2HG ARG 8 HG1 ARG 8 9.564 -7.609 0.678 66 1HD ARG 8 HD2 ARG 8 10.773 -7.418 -1.724 67 2HD ARG 8 HD1 ARG 8 11.427 -5.956 -0.959 68 HE ARG 8 HE ARG 8 11.553 -8.630 0.384 69 1HH1 ARG 8 HH11 ARG 8 13.401 -6.480 -1.382 70 2HH1 ARG 8 HH12 ARG 8 14.672 -6.326 -0.215 71 1HH2 ARG 8 HH21 ARG 8 12.967 -8.060 2.260 72 2HH2 ARG 8 HH22 ARG 8 14.426 -7.222 1.848 73 H GLY 9 HN GLY 9 5.923 -5.337 -2.241 74 1HA GLY 9 HA2 GLY 9 6.468 -4.868 -5.097 75 2HA GLY 9 HA1 GLY 9 5.773 -6.442 -4.709 76 H SER 10 HN SER 10 4.227 -5.033 -6.302 77 HA SER 10 HA SER 10 2.447 -3.135 -5.067 78 1HB SER 10 HB2 SER 10 1.458 -4.774 -7.313 79 2HB SER 10 HB1 SER 10 1.633 -3.026 -7.190 80 HG SER 10 HG SER 10 3.114 -3.844 -8.680 81 HA PRO 11 HA PRO 11 -0.536 -6.976 -4.795 82 1HB PRO 11 HB2 PRO 11 1.152 -9.273 -4.385 83 2HB PRO 11 HB1 PRO 11 0.012 -8.976 -5.701 84 1HG PRO 11 HG2 PRO 11 2.871 -8.956 -5.827 85 2HG PRO 11 HG1 PRO 11 1.728 -8.620 -7.131 86 1HD PRO 11 HD2 PRO 11 3.431 -6.760 -5.732 87 2HD PRO 11 HD1 PRO 11 2.306 -6.415 -7.067 88 H GLU 12 HN GLU 12 2.498 -6.583 -3.105 89 HA GLU 12 HA GLU 12 1.509 -7.740 -0.585 90 1HB GLU 12 HB2 GLU 12 3.994 -6.389 -1.609 91 2HB GLU 12 HB1 GLU 12 3.766 -6.580 0.130 92 1HG GLU 12 HG2 GLU 12 3.244 -8.974 -1.564 93 2HG GLU 12 HG1 GLU 12 4.928 -8.482 -1.377 94 H CYS 13 HN CYS 13 1.990 -4.521 -2.013 95 HA CYS 13 HA CYS 13 1.403 -3.015 0.385 96 1HB CYS 13 HB2 CYS 13 2.598 -2.175 -1.643 97 2HB CYS 13 HB1 CYS 13 1.090 -2.295 -2.551 98 H LEU 14 HN LEU 14 -0.567 -4.429 -2.190 99 HA LEU 14 HA LEU 14 -3.000 -3.078 -1.848 100 1HB LEU 14 HB2 LEU 14 -1.997 -5.600 -2.892 101 2HB LEU 14 HB1 LEU 14 -3.611 -5.793 -2.208 102 HG LEU 14 HG LEU 14 -3.854 -3.420 -3.577 103 1HD1 LEU 14 HD11 LEU 14 -2.904 -4.488 -5.901 104 2HD1 LEU 14 HD12 LEU 14 -1.672 -5.031 -4.762 105 3HD1 LEU 14 HD13 LEU 14 -2.019 -3.310 -4.930 106 1HD2 LEU 14 HD21 LEU 14 -5.493 -4.589 -4.641 107 2HD2 LEU 14 HD22 LEU 14 -5.022 -5.908 -3.569 108 3HD2 LEU 14 HD23 LEU 14 -4.371 -5.826 -5.207 109 HA PRO 15 HA PRO 15 -4.197 -6.252 1.639 110 1HB PRO 15 HB2 PRO 15 -1.727 -7.292 2.683 111 2HB PRO 15 HB1 PRO 15 -3.044 -8.187 1.920 112 1HG PRO 15 HG2 PRO 15 -0.440 -7.571 0.835 113 2HG PRO 15 HG1 PRO 15 -1.724 -8.551 0.118 114 1HD PRO 15 HD2 PRO 15 -0.862 -5.962 -0.725 115 2HD PRO 15 HD1 PRO 15 -2.265 -6.879 -1.329 116 H LYS 16 HN LYS 16 -0.918 -4.837 1.935 117 HA LYS 16 HA LYS 16 -1.007 -3.974 4.615 118 1HB LYS 16 HB2 LYS 16 0.170 -2.662 2.140 119 2HB LYS 16 HB1 LYS 16 0.628 -2.264 3.797 120 1HG LYS 16 HG2 LYS 16 0.733 -5.125 2.896 121 2HG LYS 16 HG1 LYS 16 2.036 -4.029 2.437 122 1HD LYS 16 HD2 LYS 16 2.328 -3.424 4.839 123 2HD LYS 16 HD1 LYS 16 1.097 -4.615 5.260 124 1HE LYS 16 HE2 LYS 16 3.602 -5.320 3.696 125 2HE LYS 16 HE1 LYS 16 3.472 -5.483 5.459 126 1HZ LYS 16 HZ1 LYS 16 1.319 -6.707 4.980 127 2HZ LYS 16 HZ2 LYS 16 2.758 -7.537 4.620 128 3HZ LYS 16 HZ3 LYS 16 1.852 -6.821 3.374 129 H CYS 17 HN CYS 17 -2.277 -2.384 1.689 130 HA CYS 17 HA CYS 17 -3.199 0.006 3.034 131 1HB CYS 17 HB2 CYS 17 -3.921 -1.388 0.438 132 2HB CYS 17 HB1 CYS 17 -4.517 0.212 0.878 133 H LYS 18 HN LYS 18 -4.522 -3.204 2.514 134 HA LYS 18 HA LYS 18 -7.281 -2.575 3.129 135 1HB LYS 18 HB2 LYS 18 -6.309 -4.587 1.902 136 2HB LYS 18 HB1 LYS 18 -5.789 -5.193 3.474 137 1HG LYS 18 HG2 LYS 18 -7.958 -5.594 4.194 138 2HG LYS 18 HG1 LYS 18 -8.647 -4.356 3.140 139 1HD LYS 18 HD2 LYS 18 -9.279 -6.177 1.902 140 2HD LYS 18 HD1 LYS 18 -7.638 -6.036 1.272 141 1HE LYS 18 HE2 LYS 18 -7.590 -7.523 3.751 142 2HE LYS 18 HE1 LYS 18 -8.738 -8.264 2.619 143 1HZ LYS 18 HZ1 LYS 18 -7.087 -8.222 0.900 144 2HZ LYS 18 HZ2 LYS 18 -6.418 -8.996 2.257 145 3HZ LYS 18 HZ3 LYS 18 -5.993 -7.392 1.893 146 H GLU 19 HN GLU 19 -4.413 -3.104 5.032 147 HA GLU 19 HA GLU 19 -5.943 -3.613 7.520 148 1HB GLU 19 HB2 GLU 19 -3.599 -4.539 6.597 149 2HB GLU 19 HB1 GLU 19 -2.999 -3.116 7.449 150 1HG GLU 19 HG2 GLU 19 -4.412 -3.913 9.441 151 2HG GLU 19 HG1 GLU 19 -4.554 -5.446 8.580 152 H ALA 20 HN ALA 20 -4.293 -0.998 5.858 153 HA ALA 20 HA ALA 20 -4.142 0.747 8.208 154 1HB ALA 20 HB1 ALA 20 -4.020 1.983 5.555 155 2HB ALA 20 HB2 ALA 20 -2.983 0.562 5.683 156 3HB ALA 20 HB3 ALA 20 -2.779 1.904 6.809 157 H ILE 21 HN ILE 21 -6.175 0.576 5.266 158 HA ILE 21 HA ILE 21 -8.151 2.358 6.659 159 HB ILE 21 HB ILE 21 -8.713 2.952 4.192 160 1HG1 ILE 21 HG12 ILE 21 -5.873 2.028 3.741 161 2HG1 ILE 21 HG11 ILE 21 -7.240 0.963 3.413 162 1HG2 ILE 21 HG21 ILE 21 -7.070 4.707 4.199 163 2HG2 ILE 21 HG22 ILE 21 -5.975 3.757 5.204 164 3HG2 ILE 21 HG23 ILE 21 -7.477 4.383 5.884 165 1HD1 ILE 21 HD11 ILE 21 -6.704 2.105 1.356 166 2HD1 ILE 21 HD12 ILE 21 -6.694 3.669 2.168 167 3HD1 ILE 21 HD13 ILE 21 -8.210 2.790 1.966 168 H GLY 22 HN GLY 22 -7.645 -0.448 4.562 169 1HA GLY 22 HA2 GLY 22 -9.069 -2.399 4.636 170 2HA GLY 22 HA1 GLY 22 -10.364 -1.394 5.286 171 H LYS 23 HN LYS 23 -8.387 -0.613 2.448 172 HA LYS 23 HA LYS 23 -10.868 -0.877 0.784 173 1HB LYS 23 HB2 LYS 23 -8.658 1.182 0.881 174 2HB LYS 23 HB1 LYS 23 -9.753 1.057 -0.497 175 1HG LYS 23 HG2 LYS 23 -11.141 1.044 2.090 176 2HG LYS 23 HG1 LYS 23 -10.242 2.532 1.787 177 1HD LYS 23 HD2 LYS 23 -11.617 3.165 0.087 178 2HD LYS 23 HD1 LYS 23 -11.769 1.519 -0.530 179 1HE LYS 23 HE2 LYS 23 -13.051 1.606 2.028 180 2HE LYS 23 HE1 LYS 23 -13.658 2.962 1.058 181 1HZ LYS 23 HZ1 LYS 23 -14.778 0.745 0.671 182 2HZ LYS 23 HZ2 LYS 23 -13.328 0.235 -0.051 183 3HZ LYS 23 HZ3 LYS 23 -14.198 1.536 -0.713 184 H ALA 24 HN ALA 24 -7.685 -1.926 1.241 185 HA ALA 24 HA ALA 24 -6.129 -3.041 -0.175 186 1HB ALA 24 HB1 ALA 24 -7.196 -4.948 -1.138 187 2HB ALA 24 HB2 ALA 24 -8.706 -4.068 -1.382 188 3HB ALA 24 HB3 ALA 24 -8.193 -4.509 0.248 189 H ALA 25 HN ALA 25 -6.537 -0.446 -1.163 190 HA ALA 25 HA ALA 25 -6.490 -0.938 -4.117 191 1HB ALA 25 HB1 ALA 25 -7.695 1.501 -2.793 192 2HB ALA 25 HB2 ALA 25 -8.649 0.055 -3.126 193 3HB ALA 25 HB3 ALA 25 -7.910 0.950 -4.454 194 H GLY 26 HN GLY 26 -4.074 -0.927 -3.373 195 1HA GLY 26 HA2 GLY 26 -3.041 1.797 -3.844 196 2HA GLY 26 HA1 GLY 26 -2.557 1.042 -2.325 197 H LYS 27 HN LYS 27 -0.426 1.513 -3.713 198 HA LYS 27 HA LYS 27 0.329 -1.118 -4.909 199 1HB LYS 27 HB2 LYS 27 1.083 1.531 -6.155 200 2HB LYS 27 HB1 LYS 27 1.156 -0.074 -6.882 201 1HG LYS 27 HG2 LYS 27 -1.296 -0.216 -6.867 202 2HG LYS 27 HG1 LYS 27 -1.396 1.362 -6.086 203 1HD LYS 27 HD2 LYS 27 -0.160 2.331 -8.058 204 2HD LYS 27 HD1 LYS 27 -0.311 0.763 -8.851 205 1HE LYS 27 HE2 LYS 27 -2.348 1.434 -9.594 206 2HE LYS 27 HE1 LYS 27 -2.905 1.398 -7.909 207 1HZ LYS 27 HZ1 LYS 27 -1.765 3.631 -7.691 208 2HZ LYS 27 HZ2 LYS 27 -3.203 3.607 -8.596 209 3HZ LYS 27 HZ3 LYS 27 -1.700 3.664 -9.386 210 H CYS 28 HN CYS 28 2.815 -1.136 -5.230 211 HA CYS 28 HA CYS 28 4.086 0.167 -2.852 212 1HB CYS 28 HB2 CYS 28 4.148 -2.247 -2.842 213 2HB CYS 28 HB1 CYS 28 4.703 -2.292 -4.515 214 H MET 29 HN MET 29 5.494 1.825 -3.287 215 HA MET 29 HA MET 29 6.908 1.832 -5.928 216 1HB MET 29 HB2 MET 29 4.996 3.305 -6.101 217 2HB MET 29 HB1 MET 29 5.375 4.057 -4.551 218 1HG MET 29 HG2 MET 29 6.160 5.545 -6.274 219 2HG MET 29 HG1 MET 29 7.580 4.789 -5.551 220 1HE MET 29 HE1 MET 29 4.823 3.924 -8.240 221 2HE MET 29 HE2 MET 29 5.774 4.204 -9.697 222 3HE MET 29 HE3 MET 29 5.524 5.519 -8.552 223 H ASN 30 HN ASN 30 9.081 2.085 -5.626 224 HA ASN 30 HA ASN 30 11.132 2.582 -4.565 225 1HB ASN 30 HB2 ASN 30 9.368 4.803 -4.495 226 2HB ASN 30 HB1 ASN 30 10.169 4.751 -2.924 227 1HD2 ASN 30 HD21 ASN 30 12.697 4.244 -3.191 228 2HD2 ASN 30 HD22 ASN 30 13.478 5.133 -4.408 229 H GLY 31 HN GLY 31 8.996 0.866 -3.152 230 1HA GLY 31 HA2 GLY 31 9.276 -0.445 -1.172 231 2HA GLY 31 HA1 GLY 31 10.419 0.756 -0.569 232 H LYS 32 HN LYS 32 7.758 2.388 -1.741 233 HA LYS 32 HA LYS 32 6.665 2.654 1.029 234 1HB LYS 32 HB2 LYS 32 7.142 4.403 -1.308 235 2HB LYS 32 HB1 LYS 32 5.624 4.702 -0.464 236 1HG LYS 32 HG2 LYS 32 7.074 6.055 0.752 237 2HG LYS 32 HG1 LYS 32 7.144 4.562 1.690 238 1HD LYS 32 HD2 LYS 32 9.051 4.318 -0.404 239 2HD LYS 32 HD1 LYS 32 9.279 5.910 0.322 240 1HE LYS 32 HE2 LYS 32 9.234 4.744 2.598 241 2HE LYS 32 HE1 LYS 32 9.368 3.215 1.706 242 1HZ LYS 32 HZ1 LYS 32 11.423 3.734 0.916 243 2HZ LYS 32 HZ2 LYS 32 11.500 4.585 2.385 244 3HZ LYS 32 HZ3 LYS 32 11.147 5.407 0.940 245 H CYS 33 HN CYS 33 4.368 2.574 1.337 246 HA CYS 33 HA CYS 33 2.938 0.981 -0.719 247 1HB CYS 33 HB2 CYS 33 3.168 0.870 2.021 248 2HB CYS 33 HB1 CYS 33 1.634 1.710 1.834 249 H LYS 34 HN LYS 34 1.487 2.014 -2.067 250 HA LYS 34 HA LYS 34 0.659 4.794 -1.354 251 1HB LYS 34 HB2 LYS 34 1.290 3.256 -3.802 252 2HB LYS 34 HB1 LYS 34 -0.055 4.385 -3.959 253 1HG LYS 34 HG2 LYS 34 1.348 6.146 -3.983 254 2HG LYS 34 HG1 LYS 34 2.113 5.611 -2.487 255 1HD LYS 34 HD2 LYS 34 3.947 5.217 -3.752 256 2HD LYS 34 HD1 LYS 34 3.076 3.803 -4.348 257 1HE LYS 34 HE2 LYS 34 2.911 6.569 -5.601 258 2HE LYS 34 HE1 LYS 34 3.904 5.234 -6.221 259 1HZ LYS 34 HZ1 LYS 34 2.003 4.747 -7.326 260 2HZ LYS 34 HZ2 LYS 34 1.002 5.532 -6.200 261 3HZ LYS 34 HZ3 LYS 34 1.603 3.977 -5.868 262 H CYS 35 HN CYS 35 -1.062 4.030 0.110 263 HA CYS 35 HA CYS 35 -3.256 2.418 -1.015 264 1HB CYS 35 HB2 CYS 35 -3.054 3.956 1.593 265 2HB CYS 35 HB1 CYS 35 -4.141 2.613 1.239 266 H TYR 36 HN TYR 36 -5.361 3.249 -1.454 267 HA TYR 36 HA TYR 36 -5.563 6.241 -1.598 268 1HB TYR 36 HB2 TYR 36 -6.055 4.036 -3.545 269 2HB TYR 36 HB1 TYR 36 -7.156 5.414 -3.601 270 HD1 TYR 36 HD1 TYR 36 -6.211 7.745 -3.875 271 HD2 TYR 36 HD2 TYR 36 -3.819 4.208 -4.348 272 HE1 TYR 36 HE1 TYR 36 -4.491 9.069 -5.075 273 HE2 TYR 36 HE2 TYR 36 -2.099 5.531 -5.548 274 HH TYR 36 HH TYR 36 -1.568 7.514 -6.398 275 HA PRO 37 HA PRO 37 -8.977 5.063 1.170 276 1HB PRO 37 HB2 PRO 37 -9.583 7.869 1.356 277 2HB PRO 37 HB1 PRO 37 -8.824 6.837 2.571 278 1HG PRO 37 HG2 PRO 37 -7.593 8.892 0.990 279 2HG PRO 37 HG1 PRO 37 -6.837 7.855 2.204 280 1HD PRO 37 HD2 PRO 37 -6.503 7.758 -0.660 281 2HD PRO 37 HD1 PRO 37 -5.752 6.703 0.563 Start of MODEL 24 1 1H VAL 1 HT1 VAL 1 -2.539 9.796 3.136 2 2H VAL 1 HT2 VAL 1 -3.241 8.590 2.169 3 3H VAL 1 HT3 VAL 1 -1.561 8.841 2.132 4 HA VAL 1 HA VAL 1 -1.905 8.352 4.741 5 HB VAL 1 HB VAL 1 -3.949 6.771 3.144 6 1HG1 VAL 1 HG11 VAL 1 -2.601 6.274 5.666 7 2HG1 VAL 1 HG12 VAL 1 -3.718 5.237 4.780 8 3HG1 VAL 1 HG13 VAL 1 -4.339 6.442 5.907 9 1HG2 VAL 1 HG21 VAL 1 -4.336 8.785 5.383 10 2HG2 VAL 1 HG22 VAL 1 -5.608 7.955 4.486 11 3HG2 VAL 1 HG23 VAL 1 -4.584 9.137 3.672 12 H PHE 2 HN PHE 2 0.090 8.116 2.817 13 HA PHE 2 HA PHE 2 0.422 5.253 2.148 14 1HB PHE 2 HB2 PHE 2 2.147 7.714 1.715 15 2HB PHE 2 HB1 PHE 2 2.440 6.131 1.000 16 HD1 PHE 2 HD1 PHE 2 2.262 8.111 -0.954 17 HD2 PHE 2 HD2 PHE 2 -0.996 6.255 1.145 18 HE1 PHE 2 HE1 PHE 2 0.733 8.675 -2.822 19 HE2 PHE 2 HE2 PHE 2 -2.522 6.823 -0.720 20 HZ PHE 2 HZ PHE 2 -1.658 8.032 -2.705 21 H ILE 3 HN ILE 3 2.895 4.544 2.562 22 HA ILE 3 HA ILE 3 3.962 5.471 5.145 23 HB ILE 3 HB ILE 3 3.748 2.969 5.935 24 1HG1 ILE 3 HG12 ILE 3 1.507 3.220 3.901 25 2HG1 ILE 3 HG11 ILE 3 2.859 2.088 3.826 26 1HG2 ILE 3 HG21 ILE 3 2.343 5.298 6.440 27 2HG2 ILE 3 HG22 ILE 3 2.202 3.802 7.360 28 3HG2 ILE 3 HG23 ILE 3 1.067 4.145 6.055 29 1HD1 ILE 3 HD11 ILE 3 1.716 0.627 5.097 30 2HD1 ILE 3 HD12 ILE 3 0.358 1.750 5.158 31 3HD1 ILE 3 HD13 ILE 3 1.618 1.822 6.390 32 H ASN 4 HN ASN 4 6.152 5.073 5.235 33 HA ASN 4 HA ASN 4 7.408 3.732 2.927 34 1HB ASN 4 HB2 ASN 4 9.478 4.620 4.082 35 2HB ASN 4 HB1 ASN 4 8.280 5.856 3.694 36 1HD2 ASN 4 HD21 ASN 4 8.121 7.302 5.407 37 2HD2 ASN 4 HD22 ASN 4 8.149 6.878 7.051 38 H ALA 5 HN ALA 5 6.316 1.620 3.867 39 HA ALA 5 HA ALA 5 7.739 0.423 6.157 40 1HB ALA 5 HB1 ALA 5 5.398 -0.130 4.406 41 2HB ALA 5 HB2 ALA 5 5.545 -0.266 6.157 42 3HB ALA 5 HB3 ALA 5 6.188 -1.535 5.118 43 H LYS 6 HN LYS 6 8.616 0.923 3.029 44 HA LYS 6 HA LYS 6 10.179 -0.125 1.595 45 1HB LYS 6 HB2 LYS 6 10.756 -0.884 4.390 46 2HB LYS 6 HB1 LYS 6 11.465 -1.959 3.186 47 1HG LYS 6 HG2 LYS 6 11.730 0.916 2.569 48 2HG LYS 6 HG1 LYS 6 12.606 0.389 4.007 49 1HD LYS 6 HD2 LYS 6 14.043 -0.940 2.814 50 2HD LYS 6 HD1 LYS 6 12.818 -1.368 1.619 51 1HE LYS 6 HE2 LYS 6 13.957 0.074 0.255 52 2HE LYS 6 HE1 LYS 6 13.134 1.345 1.179 53 1HZ LYS 6 HZ1 LYS 6 15.182 0.551 2.802 54 2HZ LYS 6 HZ2 LYS 6 15.156 1.959 1.853 55 3HZ LYS 6 HZ3 LYS 6 15.886 0.545 1.258 56 H CYS 7 HN CYS 7 7.749 -1.143 1.092 57 HA CYS 7 HA CYS 7 7.350 -3.936 1.633 58 1HB CYS 7 HB2 CYS 7 5.601 -3.715 -0.004 59 2HB CYS 7 HB1 CYS 7 5.702 -2.164 0.827 60 H ARG 8 HN ARG 8 7.414 -5.648 -0.135 61 HA ARG 8 HA ARG 8 9.942 -5.357 -1.708 62 1HB ARG 8 HB2 ARG 8 8.395 -7.695 -0.562 63 2HB ARG 8 HB1 ARG 8 9.743 -7.911 -1.681 64 1HG ARG 8 HG2 ARG 8 11.280 -6.857 -0.172 65 2HG ARG 8 HG1 ARG 8 9.971 -6.304 0.873 66 1HD ARG 8 HD2 ARG 8 9.391 -8.782 1.220 67 2HD ARG 8 HD1 ARG 8 10.967 -9.137 0.482 68 HE ARG 8 HE ARG 8 11.405 -7.123 2.417 69 1HH1 ARG 8 HH21 ARG 8 9.270 -9.123 3.583 70 2HH1 ARG 8 HH22 ARG 8 10.310 -10.107 4.557 71 1HH2 ARG 8 HH11 ARG 8 13.228 -8.934 3.093 72 2HH2 ARG 8 HH12 ARG 8 12.553 -10.000 4.281 73 H GLY 9 HN GLY 9 6.553 -5.433 -2.056 74 1HA GLY 9 HA2 GLY 9 6.799 -5.537 -4.966 75 2HA GLY 9 HA1 GLY 9 5.956 -6.929 -4.289 76 H SER 10 HN SER 10 4.801 -4.943 -6.023 77 HA SER 10 HA SER 10 3.248 -2.976 -4.656 78 1HB SER 10 HB2 SER 10 2.134 -4.306 -7.057 79 2HB SER 10 HB1 SER 10 2.469 -2.600 -6.770 80 HG SER 10 HG SER 10 3.856 -4.007 -8.287 81 HA PRO 11 HA PRO 11 -0.265 -6.362 -4.745 82 1HB PRO 11 HB2 PRO 11 1.057 -8.872 -4.247 83 2HB PRO 11 HB1 PRO 11 0.067 -8.413 -5.635 84 1HG PRO 11 HG2 PRO 11 2.904 -8.783 -5.559 85 2HG PRO 11 HG1 PRO 11 1.914 -8.285 -6.933 86 1HD PRO 11 HD2 PRO 11 3.748 -6.687 -5.385 87 2HD PRO 11 HD1 PRO 11 2.781 -6.179 -6.792 88 H GLU 12 HN GLU 12 2.559 -6.104 -2.801 89 HA GLU 12 HA GLU 12 1.500 -7.367 -0.392 90 1HB GLU 12 HB2 GLU 12 3.925 -6.255 -1.375 91 2HB GLU 12 HB1 GLU 12 3.504 -5.340 0.075 92 1HG GLU 12 HG2 GLU 12 3.011 -7.743 1.065 93 2HG GLU 12 HG1 GLU 12 4.113 -8.262 -0.212 94 H CYS 13 HN CYS 13 1.213 -4.284 -1.955 95 HA CYS 13 HA CYS 13 0.462 -2.696 0.345 96 1HB CYS 13 HB2 CYS 13 0.515 -2.525 -2.624 97 2HB CYS 13 HB1 CYS 13 -0.606 -1.436 -1.809 98 H LEU 14 HN LEU 14 -1.254 -4.876 -1.812 99 HA LEU 14 HA LEU 14 -3.916 -3.976 -1.438 100 1HB LEU 14 HB2 LEU 14 -2.456 -6.395 -2.279 101 2HB LEU 14 HB1 LEU 14 -4.070 -6.715 -1.648 102 HG LEU 14 HG LEU 14 -4.691 -4.638 -3.206 103 1HD1 LEU 14 HD11 LEU 14 -2.415 -5.924 -4.731 104 2HD1 LEU 14 HD12 LEU 14 -2.218 -4.425 -3.822 105 3HD1 LEU 14 HD13 LEU 14 -3.345 -4.494 -5.177 106 1HD2 LEU 14 HD21 LEU 14 -5.842 -6.626 -3.627 107 2HD2 LEU 14 HD22 LEU 14 -4.360 -7.556 -3.843 108 3HD2 LEU 14 HD23 LEU 14 -4.902 -6.455 -5.109 109 HA PRO 15 HA PRO 15 -4.161 -7.044 2.335 110 1HB PRO 15 HB2 PRO 15 -1.464 -7.465 3.236 111 2HB PRO 15 HB1 PRO 15 -2.602 -8.671 2.629 112 1HG PRO 15 HG2 PRO 15 -0.263 -7.613 1.320 113 2HG PRO 15 HG1 PRO 15 -1.363 -8.869 0.746 114 1HD PRO 15 HD2 PRO 15 -1.100 -6.202 -0.260 115 2HD PRO 15 HD1 PRO 15 -2.291 -7.433 -0.749 116 H LYS 16 HN LYS 16 -1.235 -4.979 2.298 117 HA LYS 16 HA LYS 16 -1.463 -3.973 4.961 118 1HB LYS 16 HB2 LYS 16 -0.257 -2.949 2.379 119 2HB LYS 16 HB1 LYS 16 -0.049 -2.102 3.914 120 1HG LYS 16 HG2 LYS 16 0.514 -5.028 3.900 121 2HG LYS 16 HG1 LYS 16 1.677 -3.983 3.083 122 1HD LYS 16 HD2 LYS 16 0.925 -2.772 5.578 123 2HD LYS 16 HD1 LYS 16 1.425 -4.438 5.874 124 1HE LYS 16 HE2 LYS 16 3.600 -4.039 5.233 125 2HE LYS 16 HE1 LYS 16 3.123 -2.850 4.002 126 1HZ LYS 16 HZ1 LYS 16 2.453 -2.155 6.737 127 2HZ LYS 16 HZ2 LYS 16 3.079 -1.183 5.490 128 3HZ LYS 16 HZ3 LYS 16 4.114 -2.180 6.397 129 H CYS 17 HN CYS 17 -2.544 -2.532 1.858 130 HA CYS 17 HA CYS 17 -3.736 -0.186 2.872 131 1HB CYS 17 HB2 CYS 17 -4.326 -2.031 0.552 132 2HB CYS 17 HB1 CYS 17 -5.241 -0.543 0.793 133 H LYS 18 HN LYS 18 -5.039 -3.485 2.683 134 HA LYS 18 HA LYS 18 -7.737 -2.923 3.402 135 1HB LYS 18 HB2 LYS 18 -6.673 -5.062 2.527 136 2HB LYS 18 HB1 LYS 18 -6.066 -5.336 4.160 137 1HG LYS 18 HG2 LYS 18 -8.063 -6.502 4.270 138 2HG LYS 18 HG1 LYS 18 -8.599 -4.913 4.818 139 1HD LYS 18 HD2 LYS 18 -9.168 -4.382 2.407 140 2HD LYS 18 HD1 LYS 18 -8.864 -6.080 2.037 141 1HE LYS 18 HE2 LYS 18 -10.697 -5.490 4.326 142 2HE LYS 18 HE1 LYS 18 -11.320 -5.242 2.681 143 1HZ LYS 18 HZ1 LYS 18 -9.734 -7.641 3.112 144 2HZ LYS 18 HZ2 LYS 18 -11.131 -7.418 2.172 145 3HZ LYS 18 HZ3 LYS 18 -11.259 -7.628 3.853 146 H GLU 19 HN GLU 19 -4.993 -3.932 5.476 147 HA GLU 19 HA GLU 19 -6.484 -3.483 7.941 148 1HB GLU 19 HB2 GLU 19 -3.733 -4.268 7.072 149 2HB GLU 19 HB1 GLU 19 -3.928 -3.682 8.724 150 1HG GLU 19 HG2 GLU 19 -5.506 -5.946 7.463 151 2HG GLU 19 HG1 GLU 19 -4.191 -6.134 8.623 152 H ALA 20 HN ALA 20 -5.076 -1.380 5.729 153 HA ALA 20 HA ALA 20 -4.338 0.630 7.817 154 1HB ALA 20 HB1 ALA 20 -3.659 0.125 4.931 155 2HB ALA 20 HB2 ALA 20 -2.571 0.370 6.298 156 3HB ALA 20 HB3 ALA 20 -3.441 1.741 5.606 157 H ILE 21 HN ILE 21 -6.167 0.335 4.750 158 HA ILE 21 HA ILE 21 -7.793 2.706 5.610 159 HB ILE 21 HB ILE 21 -6.415 3.070 3.615 160 1HG1 ILE 21 HG12 ILE 21 -9.347 2.644 2.955 161 2HG1 ILE 21 HG11 ILE 21 -8.641 4.106 3.646 162 1HG2 ILE 21 HG21 ILE 21 -7.182 1.600 1.564 163 2HG2 ILE 21 HG22 ILE 21 -7.638 0.448 2.817 164 3HG2 ILE 21 HG23 ILE 21 -5.964 0.984 2.681 165 1HD1 ILE 21 HD11 ILE 21 -7.061 3.926 1.512 166 2HD1 ILE 21 HD12 ILE 21 -8.644 4.696 1.410 167 3HD1 ILE 21 HD13 ILE 21 -8.436 3.033 0.863 168 H GLY 22 HN GLY 22 -7.847 -0.606 4.424 169 1HA GLY 22 HA2 GLY 22 -9.619 -2.165 4.715 170 2HA GLY 22 HA1 GLY 22 -10.661 -0.842 5.235 171 H LYS 23 HN LYS 23 -8.784 -0.997 2.217 172 HA LYS 23 HA LYS 23 -11.356 -1.261 0.709 173 1HB LYS 23 HB2 LYS 23 -10.694 1.129 1.032 174 2HB LYS 23 HB1 LYS 23 -9.171 0.784 0.208 175 1HG LYS 23 HG2 LYS 23 -10.157 0.980 -1.806 176 2HG LYS 23 HG1 LYS 23 -11.382 -0.208 -1.364 177 1HD LYS 23 HD2 LYS 23 -12.930 1.392 -0.987 178 2HD LYS 23 HD1 LYS 23 -11.805 2.352 -0.027 179 1HE LYS 23 HE2 LYS 23 -11.519 3.784 -1.758 180 2HE LYS 23 HE1 LYS 23 -11.010 2.443 -2.804 181 1HZ LYS 23 HZ1 LYS 23 -13.166 3.665 -3.403 182 2HZ LYS 23 HZ2 LYS 23 -13.852 2.828 -2.093 183 3HZ LYS 23 HZ3 LYS 23 -13.191 1.969 -3.401 184 H ALA 24 HN ALA 24 -8.315 -2.468 1.204 185 HA ALA 24 HA ALA 24 -6.775 -3.675 -0.147 186 1HB ALA 24 HB1 ALA 24 -8.165 -5.468 -0.258 187 2HB ALA 24 HB2 ALA 24 -8.521 -4.934 -1.901 188 3HB ALA 24 HB3 ALA 24 -9.573 -4.452 -0.570 189 H ALA 25 HN ALA 25 -6.855 -1.036 -1.056 190 HA ALA 25 HA ALA 25 -6.515 -1.431 -3.992 191 1HB ALA 25 HB1 ALA 25 -8.289 0.555 -2.557 192 2HB ALA 25 HB2 ALA 25 -8.734 -0.572 -3.838 193 3HB ALA 25 HB3 ALA 25 -7.738 0.834 -4.208 194 H GLY 26 HN GLY 26 -4.330 -0.955 -4.131 195 1HA GLY 26 HA2 GLY 26 -3.403 1.721 -3.749 196 2HA GLY 26 HA1 GLY 26 -2.890 0.739 -2.377 197 H LYS 27 HN LYS 27 -0.800 1.588 -3.592 198 HA LYS 27 HA LYS 27 0.224 -0.742 -5.131 199 1HB LYS 27 HB2 LYS 27 0.637 2.117 -6.036 200 2HB LYS 27 HB1 LYS 27 0.951 0.639 -6.945 201 1HG LYS 27 HG2 LYS 27 -1.576 0.172 -6.703 202 2HG LYS 27 HG1 LYS 27 -1.714 1.866 -6.235 203 1HD LYS 27 HD2 LYS 27 -0.057 1.651 -8.584 204 2HD LYS 27 HD1 LYS 27 -1.587 0.816 -8.860 205 1HE LYS 27 HE2 LYS 27 -2.640 2.805 -9.100 206 2HE LYS 27 HE1 LYS 27 -2.104 3.300 -7.482 207 1HZ LYS 27 HZ1 LYS 27 -0.498 3.444 -9.980 208 2HZ LYS 27 HZ2 LYS 27 0.074 3.835 -8.430 209 3HZ LYS 27 HZ3 LYS 27 -1.157 4.763 -9.143 210 H CYS 28 HN CYS 28 2.741 -0.337 -5.436 211 HA CYS 28 HA CYS 28 3.790 1.126 -3.037 212 1HB CYS 28 HB2 CYS 28 3.565 -1.593 -3.273 213 2HB CYS 28 HB1 CYS 28 5.195 -1.332 -3.897 214 H MET 29 HN MET 29 5.411 2.529 -3.580 215 HA MET 29 HA MET 29 7.094 1.952 -5.975 216 1HB MET 29 HB2 MET 29 5.104 3.364 -6.576 217 2HB MET 29 HB1 MET 29 5.668 4.574 -5.424 218 1HG MET 29 HG2 MET 29 6.832 5.434 -7.166 219 2HG MET 29 HG1 MET 29 7.934 4.080 -6.917 220 1HE MET 29 HE1 MET 29 5.352 5.703 -9.458 221 2HE MET 29 HE2 MET 29 4.503 4.906 -8.136 222 3HE MET 29 HE3 MET 29 4.368 4.268 -9.773 223 H ASN 30 HN ASN 30 9.148 3.079 -5.897 224 HA ASN 30 HA ASN 30 11.029 3.968 -4.778 225 1HB ASN 30 HB2 ASN 30 9.170 5.811 -4.740 226 2HB ASN 30 HB1 ASN 30 9.045 5.411 -3.027 227 1HD2 ASN 30 HD21 ASN 30 11.725 5.974 -5.397 228 2HD2 ASN 30 HD22 ASN 30 12.638 6.946 -4.346 229 H GLY 31 HN GLY 31 9.375 1.592 -3.638 230 1HA GLY 31 HA2 GLY 31 9.831 0.096 -1.868 231 2HA GLY 31 HA1 GLY 31 10.994 1.263 -1.234 232 H LYS 32 HN LYS 32 7.679 2.151 -1.966 233 HA LYS 32 HA LYS 32 6.999 2.092 0.940 234 1HB LYS 32 HB2 LYS 32 6.796 4.486 -0.919 235 2HB LYS 32 HB1 LYS 32 6.301 4.456 0.775 236 1HG LYS 32 HG2 LYS 32 8.709 3.740 1.302 237 2HG LYS 32 HG1 LYS 32 9.095 4.216 -0.351 238 1HD LYS 32 HD2 LYS 32 8.214 6.480 0.093 239 2HD LYS 32 HD1 LYS 32 7.834 6.005 1.749 240 1HE LYS 32 HE2 LYS 32 10.043 6.052 2.414 241 2HE LYS 32 HE1 LYS 32 10.639 5.547 0.821 242 1HZ LYS 32 HZ1 LYS 32 9.403 8.185 1.414 243 2HZ LYS 32 HZ2 LYS 32 10.056 7.691 -0.075 244 3HZ LYS 32 HZ3 LYS 32 11.071 7.915 1.269 245 H CYS 33 HN CYS 33 4.689 2.117 1.316 246 HA CYS 33 HA CYS 33 3.126 1.076 -0.975 247 1HB CYS 33 HB2 CYS 33 3.309 0.077 1.386 248 2HB CYS 33 HB1 CYS 33 2.288 1.415 1.911 249 H LYS 34 HN LYS 34 1.041 1.976 -1.522 250 HA LYS 34 HA LYS 34 0.353 4.647 -0.414 251 1HB LYS 34 HB2 LYS 34 0.662 4.179 -3.387 252 2HB LYS 34 HB1 LYS 34 0.528 5.720 -2.539 253 1HG LYS 34 HG2 LYS 34 2.714 5.169 -1.388 254 2HG LYS 34 HG1 LYS 34 2.864 3.792 -2.480 255 1HD LYS 34 HD2 LYS 34 2.571 6.682 -3.353 256 2HD LYS 34 HD1 LYS 34 4.084 5.777 -3.334 257 1HE LYS 34 HE2 LYS 34 1.634 5.236 -5.040 258 2HE LYS 34 HE1 LYS 34 3.283 5.604 -5.586 259 1HZ LYS 34 HZ1 LYS 34 2.302 3.166 -4.224 260 2HZ LYS 34 HZ2 LYS 34 3.950 3.580 -4.222 261 3HZ LYS 34 HZ3 LYS 34 3.147 3.285 -5.690 262 H CYS 35 HN CYS 35 -1.680 3.870 0.297 263 HA CYS 35 HA CYS 35 -3.383 2.237 -1.446 264 1HB CYS 35 HB2 CYS 35 -3.947 3.663 1.172 265 2HB CYS 35 HB1 CYS 35 -4.890 2.341 0.479 266 H TYR 36 HN TYR 36 -5.760 3.055 -1.699 267 HA TYR 36 HA TYR 36 -5.649 5.851 -2.759 268 1HB TYR 36 HB2 TYR 36 -6.918 3.270 -3.523 269 2HB TYR 36 HB1 TYR 36 -7.851 4.727 -3.865 270 HD1 TYR 36 HD1 TYR 36 -6.316 6.736 -4.846 271 HD2 TYR 36 HD2 TYR 36 -5.487 2.537 -5.209 272 HE1 TYR 36 HE1 TYR 36 -4.896 7.189 -6.823 273 HE2 TYR 36 HE2 TYR 36 -4.065 2.992 -7.190 274 HH TYR 36 HH TYR 36 -3.994 6.101 -8.723 275 HA PRO 37 HA PRO 37 -8.455 7.078 0.463 276 1HB PRO 37 HB2 PRO 37 -9.620 9.088 -1.232 277 2HB PRO 37 HB1 PRO 37 -8.418 9.306 0.044 278 1HG PRO 37 HG2 PRO 37 -8.025 9.501 -2.788 279 2HG PRO 37 HG1 PRO 37 -6.821 9.697 -1.511 280 1HD PRO 37 HD2 PRO 37 -7.100 7.503 -3.368 281 2HD PRO 37 HD1 PRO 37 -5.873 7.707 -2.094 Start of MODEL 25 1 1H VAL 1 HT1 VAL 1 -2.323 11.300 1.816 2 2H VAL 1 HT2 VAL 1 -1.188 10.323 1.014 3 3H VAL 1 HT3 VAL 1 -0.696 11.327 2.293 4 HA VAL 1 HA VAL 1 -1.420 9.912 3.893 5 HB VAL 1 HB VAL 1 -3.732 10.273 3.300 6 1HG1 VAL 1 HG11 VAL 1 -4.765 9.422 1.351 7 2HG1 VAL 1 HG12 VAL 1 -3.473 8.255 1.071 8 3HG1 VAL 1 HG13 VAL 1 -3.188 9.973 0.790 9 1HG2 VAL 1 HG21 VAL 1 -4.651 7.931 3.506 10 2HG2 VAL 1 HG22 VAL 1 -3.418 8.326 4.703 11 3HG2 VAL 1 HG23 VAL 1 -3.005 7.329 3.308 12 H PHE 2 HN PHE 2 0.580 8.786 3.587 13 HA PHE 2 HA PHE 2 0.303 6.180 2.153 14 1HB PHE 2 HB2 PHE 2 2.442 8.300 1.870 15 2HB PHE 2 HB1 PHE 2 2.708 6.633 1.366 16 HD1 PHE 2 HD1 PHE 2 -0.053 5.972 0.365 17 HD2 PHE 2 HD2 PHE 2 2.406 9.446 -0.207 18 HE1 PHE 2 HE1 PHE 2 -1.205 6.430 -1.778 19 HE2 PHE 2 HE2 PHE 2 1.253 9.905 -2.353 20 HZ PHE 2 HZ PHE 2 -0.552 8.399 -3.139 21 H ILE 3 HN ILE 3 1.998 4.608 2.899 22 HA ILE 3 HA ILE 3 2.975 5.264 5.663 23 HB ILE 3 HB ILE 3 2.401 2.965 6.252 24 1HG1 ILE 3 HG12 ILE 3 1.452 2.683 3.384 25 2HG1 ILE 3 HG11 ILE 3 2.966 2.016 3.997 26 1HG2 ILE 3 HG21 ILE 3 0.108 3.273 6.362 27 2HG2 ILE 3 HG22 ILE 3 -0.003 3.825 4.691 28 3HG2 ILE 3 HG23 ILE 3 0.613 4.910 5.938 29 1HD1 ILE 3 HD11 ILE 3 1.491 0.891 5.810 30 2HD1 ILE 3 HD12 ILE 3 1.460 0.213 4.183 31 3HD1 ILE 3 HD13 ILE 3 0.145 1.251 4.729 32 H ASN 4 HN ASN 4 5.079 4.519 6.161 33 HA ASN 4 HA ASN 4 6.707 3.689 3.811 34 1HB ASN 4 HB2 ASN 4 8.575 4.368 5.336 35 2HB ASN 4 HB1 ASN 4 7.393 5.654 5.088 36 1HD2 ASN 4 HD21 ASN 4 8.329 6.431 7.263 37 2HD2 ASN 4 HD22 ASN 4 7.652 5.790 8.682 38 H ALA 5 HN ALA 5 5.704 1.438 4.033 39 HA ALA 5 HA ALA 5 6.822 -0.136 6.308 40 1HB ALA 5 HB1 ALA 5 4.460 -0.170 4.614 41 2HB ALA 5 HB2 ALA 5 4.747 -1.020 6.133 42 3HB ALA 5 HB3 ALA 5 5.256 -1.743 4.607 43 H LYS 6 HN LYS 6 8.132 0.910 3.617 44 HA LYS 6 HA LYS 6 9.686 0.068 2.039 45 1HB LYS 6 HB2 LYS 6 10.263 -0.703 4.627 46 2HB LYS 6 HB1 LYS 6 10.337 -2.231 3.748 47 1HG LYS 6 HG2 LYS 6 11.670 -0.609 2.020 48 2HG LYS 6 HG1 LYS 6 12.098 0.145 3.557 49 1HD LYS 6 HD2 LYS 6 13.149 -1.787 4.362 50 2HD LYS 6 HD1 LYS 6 12.276 -2.842 3.250 51 1HE LYS 6 HE2 LYS 6 14.387 -2.758 2.231 52 2HE LYS 6 HE1 LYS 6 13.567 -1.416 1.407 53 1HZ LYS 6 HZ1 LYS 6 14.537 0.146 2.804 54 2HZ LYS 6 HZ2 LYS 6 15.813 -0.941 2.523 55 3HZ LYS 6 HZ3 LYS 6 14.948 -1.000 3.984 56 H CYS 7 HN CYS 7 7.224 -0.712 1.224 57 HA CYS 7 HA CYS 7 6.656 -3.506 1.132 58 1HB CYS 7 HB2 CYS 7 5.287 -2.815 -0.853 59 2HB CYS 7 HB1 CYS 7 5.056 -1.760 0.542 60 H ARG 8 HN ARG 8 7.282 -5.121 -0.338 61 HA ARG 8 HA ARG 8 9.693 -4.503 -1.983 62 1HB ARG 8 HB2 ARG 8 8.430 -6.987 -0.808 63 2HB ARG 8 HB1 ARG 8 9.733 -7.088 -1.994 64 1HG ARG 8 HG2 ARG 8 10.462 -5.154 -0.006 65 2HG ARG 8 HG1 ARG 8 9.958 -6.635 0.808 66 1HD ARG 8 HD2 ARG 8 12.040 -7.430 0.347 67 2HD ARG 8 HD1 ARG 8 11.514 -7.533 -1.345 68 HE ARG 8 HE ARG 8 12.198 -4.836 -0.890 69 1HH1 ARG 8 HH11 ARG 8 13.452 -7.730 -2.029 70 2HH1 ARG 8 HH12 ARG 8 15.112 -7.245 -1.956 71 1HH2 ARG 8 HH21 ARG 8 14.448 -4.284 -0.278 72 2HH2 ARG 8 HH22 ARG 8 15.677 -5.294 -0.963 73 H GLY 9 HN GLY 9 6.349 -5.546 -2.224 74 1HA GLY 9 HA2 GLY 9 6.624 -5.484 -5.191 75 2HA GLY 9 HA1 GLY 9 5.800 -6.845 -4.428 76 H SER 10 HN SER 10 4.665 -4.884 -6.282 77 HA SER 10 HA SER 10 3.078 -2.906 -4.994 78 1HB SER 10 HB2 SER 10 1.955 -4.320 -7.337 79 2HB SER 10 HB1 SER 10 2.312 -2.610 -7.122 80 HG SER 10 HG SER 10 4.531 -3.148 -7.376 81 HA PRO 11 HA PRO 11 -0.421 -6.295 -4.948 82 1HB PRO 11 HB2 PRO 11 0.909 -8.823 -4.590 83 2HB PRO 11 HB1 PRO 11 -0.137 -8.316 -5.918 84 1HG PRO 11 HG2 PRO 11 2.692 -8.711 -5.986 85 2HG PRO 11 HG1 PRO 11 1.651 -8.136 -7.292 86 1HD PRO 11 HD2 PRO 11 3.566 -6.632 -5.731 87 2HD PRO 11 HD1 PRO 11 2.577 -6.062 -7.099 88 H GLU 12 HN GLU 12 2.519 -6.236 -3.100 89 HA GLU 12 HA GLU 12 1.488 -7.556 -0.719 90 1HB GLU 12 HB2 GLU 12 3.868 -5.998 -1.596 91 2HB GLU 12 HB1 GLU 12 3.542 -6.004 0.138 92 1HG GLU 12 HG2 GLU 12 3.162 -8.664 -0.755 93 2HG GLU 12 HG1 GLU 12 4.666 -8.102 -1.484 94 H CYS 13 HN CYS 13 1.560 -4.246 -1.947 95 HA CYS 13 HA CYS 13 0.765 -2.930 0.487 96 1HB CYS 13 HB2 CYS 13 1.740 -2.140 -1.863 97 2HB CYS 13 HB1 CYS 13 0.032 -1.932 -2.244 98 H LEU 14 HN LEU 14 -1.000 -4.701 -1.974 99 HA LEU 14 HA LEU 14 -3.597 -3.630 -1.664 100 1HB LEU 14 HB2 LEU 14 -2.289 -6.005 -2.692 101 2HB LEU 14 HB1 LEU 14 -3.824 -6.429 -1.934 102 HG LEU 14 HG LEU 14 -4.142 -4.018 -3.486 103 1HD1 LEU 14 HD11 LEU 14 -3.862 -5.743 -5.631 104 2HD1 LEU 14 HD12 LEU 14 -2.444 -6.111 -4.648 105 3HD1 LEU 14 HD13 LEU 14 -2.729 -4.461 -5.202 106 1HD2 LEU 14 HD21 LEU 14 -5.705 -5.756 -4.724 107 2HD2 LEU 14 HD22 LEU 14 -6.086 -5.240 -3.081 108 3HD2 LEU 14 HD23 LEU 14 -5.290 -6.790 -3.357 109 HA PRO 15 HA PRO 15 -4.325 -6.806 1.941 110 1HB PRO 15 HB2 PRO 15 -1.732 -7.567 2.925 111 2HB PRO 15 HB1 PRO 15 -2.969 -8.607 2.214 112 1HG PRO 15 HG2 PRO 15 -0.470 -7.766 1.051 113 2HG PRO 15 HG1 PRO 15 -1.680 -8.858 0.371 114 1HD PRO 15 HD2 PRO 15 -1.076 -6.188 -0.481 115 2HD PRO 15 HD1 PRO 15 -2.366 -7.256 -1.083 116 H LYS 16 HN LYS 16 -1.209 -5.045 2.090 117 HA LYS 16 HA LYS 16 -1.464 -4.139 4.802 118 1HB LYS 16 HB2 LYS 16 0.052 -3.285 2.336 119 2HB LYS 16 HB1 LYS 16 0.198 -2.376 3.841 120 1HG LYS 16 HG2 LYS 16 0.749 -5.340 3.501 121 2HG LYS 16 HG1 LYS 16 1.967 -4.078 3.697 122 1HD LYS 16 HD2 LYS 16 0.249 -3.640 5.832 123 2HD LYS 16 HD1 LYS 16 0.321 -5.399 5.723 124 1HE LYS 16 HE2 LYS 16 2.639 -5.457 6.097 125 2HE LYS 16 HE1 LYS 16 2.859 -3.773 5.587 126 1HZ LYS 16 HZ1 LYS 16 1.345 -4.658 7.987 127 2HZ LYS 16 HZ2 LYS 16 1.569 -3.049 7.489 128 3HZ LYS 16 HZ3 LYS 16 2.897 -3.973 8.009 129 H CYS 17 HN CYS 17 -2.462 -2.710 1.696 130 HA CYS 17 HA CYS 17 -3.299 -0.166 2.730 131 1HB CYS 17 HB2 CYS 17 -3.952 -1.849 0.306 132 2HB CYS 17 HB1 CYS 17 -4.668 -0.254 0.541 133 H LYS 18 HN LYS 18 -4.817 -3.327 2.684 134 HA LYS 18 HA LYS 18 -7.527 -2.352 3.155 135 1HB LYS 18 HB2 LYS 18 -6.763 -4.537 2.078 136 2HB LYS 18 HB1 LYS 18 -6.353 -5.089 3.703 137 1HG LYS 18 HG2 LYS 18 -8.800 -4.335 4.281 138 2HG LYS 18 HG1 LYS 18 -9.055 -4.478 2.542 139 1HD LYS 18 HD2 LYS 18 -9.414 -6.678 2.926 140 2HD LYS 18 HD1 LYS 18 -7.669 -6.798 3.163 141 1HE LYS 18 HE2 LYS 18 -8.071 -7.425 5.304 142 2HE LYS 18 HE1 LYS 18 -8.743 -5.810 5.603 143 1HZ LYS 18 HZ1 LYS 18 -10.227 -8.093 4.410 144 2HZ LYS 18 HZ2 LYS 18 -10.859 -6.548 4.725 145 3HZ LYS 18 HZ3 LYS 18 -10.392 -7.556 6.010 146 H GLU 19 HN GLU 19 -4.922 -3.700 5.193 147 HA GLU 19 HA GLU 19 -6.518 -3.571 7.635 148 1HB GLU 19 HB2 GLU 19 -3.973 -4.562 6.684 149 2HB GLU 19 HB1 GLU 19 -3.752 -3.699 8.207 150 1HG GLU 19 HG2 GLU 19 -4.264 -6.100 8.577 151 2HG GLU 19 HG1 GLU 19 -5.508 -5.050 9.257 152 H ALA 20 HN ALA 20 -4.378 -1.383 5.919 153 HA ALA 20 HA ALA 20 -4.031 0.391 8.255 154 1HB ALA 20 HB1 ALA 20 -2.263 1.099 7.026 155 2HB ALA 20 HB2 ALA 20 -3.282 1.412 5.621 156 3HB ALA 20 HB3 ALA 20 -2.648 -0.209 5.907 157 H ILE 21 HN ILE 21 -6.127 0.097 5.468 158 HA ILE 21 HA ILE 21 -7.451 2.669 6.263 159 HB ILE 21 HB ILE 21 -6.640 1.575 3.569 160 1HG1 ILE 21 HG12 ILE 21 -6.436 4.438 4.373 161 2HG1 ILE 21 HG11 ILE 21 -5.373 3.299 5.200 162 1HG2 ILE 21 HG21 ILE 21 -8.574 2.338 2.694 163 2HG2 ILE 21 HG22 ILE 21 -8.039 3.960 3.135 164 3HG2 ILE 21 HG23 ILE 21 -9.065 3.040 4.236 165 1HD1 ILE 21 HD11 ILE 21 -4.034 3.186 3.397 166 2HD1 ILE 21 HD12 ILE 21 -5.033 4.410 2.613 167 3HD1 ILE 21 HD13 ILE 21 -5.396 2.699 2.386 168 H GLY 22 HN GLY 22 -7.780 -0.622 5.020 169 1HA GLY 22 HA2 GLY 22 -9.774 -1.892 5.785 170 2HA GLY 22 HA1 GLY 22 -10.718 -0.420 5.545 171 H LYS 23 HN LYS 23 -9.006 -0.009 2.994 172 HA LYS 23 HA LYS 23 -10.639 -1.855 1.284 173 1HB LYS 23 HB2 LYS 23 -10.436 0.947 1.425 174 2HB LYS 23 HB1 LYS 23 -9.550 0.495 -0.032 175 1HG LYS 23 HG2 LYS 23 -11.815 -1.119 -0.118 176 2HG LYS 23 HG1 LYS 23 -12.425 0.425 0.480 177 1HD LYS 23 HD2 LYS 23 -10.527 0.861 -1.660 178 2HD LYS 23 HD1 LYS 23 -11.805 -0.233 -2.189 179 1HE LYS 23 HE2 LYS 23 -13.305 1.612 -0.880 180 2HE LYS 23 HE1 LYS 23 -11.976 2.639 -1.452 181 1HZ LYS 23 HZ1 LYS 23 -12.241 1.461 -3.646 182 2HZ LYS 23 HZ2 LYS 23 -13.502 2.521 -3.230 183 3HZ LYS 23 HZ3 LYS 23 -13.707 0.843 -3.056 184 H ALA 24 HN ALA 24 -9.406 -3.402 0.304 185 HA ALA 24 HA ALA 24 -6.523 -3.347 0.251 186 1HB ALA 24 HB1 ALA 24 -7.234 -5.235 -1.564 187 2HB ALA 24 HB2 ALA 24 -8.773 -5.026 -0.729 188 3HB ALA 24 HB3 ALA 24 -7.336 -5.497 0.177 189 H ALA 25 HN ALA 25 -6.265 -1.167 -0.814 190 HA ALA 25 HA ALA 25 -6.101 -1.497 -3.763 191 1HB ALA 25 HB1 ALA 25 -7.321 0.624 -4.092 192 2HB ALA 25 HB2 ALA 25 -7.538 0.772 -2.348 193 3HB ALA 25 HB3 ALA 25 -8.327 -0.538 -3.226 194 H GLY 26 HN GLY 26 -4.132 -0.712 -4.408 195 1HA GLY 26 HA2 GLY 26 -2.944 1.706 -3.950 196 2HA GLY 26 HA1 GLY 26 -2.490 0.799 -2.507 197 H LYS 27 HN LYS 27 -0.312 1.373 -3.699 198 HA LYS 27 HA LYS 27 0.502 -1.090 -5.159 199 1HB LYS 27 HB2 LYS 27 0.790 1.776 -6.107 200 2HB LYS 27 HB1 LYS 27 1.653 0.422 -6.836 201 1HG LYS 27 HG2 LYS 27 -0.545 -0.691 -7.266 202 2HG LYS 27 HG1 LYS 27 -1.356 0.751 -6.657 203 1HD LYS 27 HD2 LYS 27 0.688 1.332 -8.687 204 2HD LYS 27 HD1 LYS 27 -0.638 0.336 -9.289 205 1HE LYS 27 HE2 LYS 27 -2.140 2.051 -9.147 206 2HE LYS 27 HE1 LYS 27 -1.488 2.610 -7.595 207 1HZ LYS 27 HZ1 LYS 27 0.406 3.538 -8.721 208 2HZ LYS 27 HZ2 LYS 27 -1.004 4.157 -9.436 209 3HZ LYS 27 HZ3 LYS 27 -0.122 2.932 -10.214 210 H CYS 28 HN CYS 28 3.093 -0.508 -5.698 211 HA CYS 28 HA CYS 28 4.257 0.524 -3.138 212 1HB CYS 28 HB2 CYS 28 4.189 -1.899 -3.043 213 2HB CYS 28 HB1 CYS 28 4.865 -2.025 -4.666 214 H MET 29 HN MET 29 5.411 2.313 -3.792 215 HA MET 29 HA MET 29 7.074 2.063 -6.281 216 1HB MET 29 HB2 MET 29 4.955 3.702 -5.903 217 2HB MET 29 HB1 MET 29 6.233 4.723 -5.244 218 1HG MET 29 HG2 MET 29 7.452 3.850 -7.502 219 2HG MET 29 HG1 MET 29 5.773 3.840 -8.039 220 1HE MET 29 HE1 MET 29 7.591 6.169 -9.647 221 2HE MET 29 HE2 MET 29 8.552 5.258 -8.484 222 3HE MET 29 HE3 MET 29 8.519 7.018 -8.403 223 H ASN 30 HN ASN 30 9.246 2.192 -5.858 224 HA ASN 30 HA ASN 30 11.270 2.811 -4.797 225 1HB ASN 30 HB2 ASN 30 9.389 4.939 -4.529 226 2HB ASN 30 HB1 ASN 30 10.250 4.800 -2.996 227 1HD2 ASN 30 HD21 ASN 30 12.547 5.250 -2.982 228 2HD2 ASN 30 HD22 ASN 30 13.343 5.922 -4.321 229 H GLY 31 HN GLY 31 8.982 1.059 -3.484 230 1HA GLY 31 HA2 GLY 31 9.220 -0.429 -1.629 231 2HA GLY 31 HA1 GLY 31 10.483 0.620 -0.981 232 H LYS 32 HN LYS 32 7.598 2.187 -2.028 233 HA LYS 32 HA LYS 32 6.823 2.576 0.842 234 1HB LYS 32 HB2 LYS 32 6.336 4.327 -1.590 235 2HB LYS 32 HB1 LYS 32 6.028 4.763 0.092 236 1HG LYS 32 HG2 LYS 32 8.739 3.843 -0.154 237 2HG LYS 32 HG1 LYS 32 8.442 5.090 -1.366 238 1HD LYS 32 HD2 LYS 32 7.613 6.615 0.345 239 2HD LYS 32 HD1 LYS 32 7.767 5.363 1.577 240 1HE LYS 32 HE2 LYS 32 9.762 6.568 1.875 241 2HE LYS 32 HE1 LYS 32 10.287 5.298 0.751 242 1HZ LYS 32 HZ1 LYS 32 9.275 7.045 -0.958 243 2HZ LYS 32 HZ2 LYS 32 10.905 7.077 -0.482 244 3HZ LYS 32 HZ3 LYS 32 9.784 8.126 0.246 245 H CYS 33 HN CYS 33 4.624 2.320 1.390 246 HA CYS 33 HA CYS 33 2.989 0.822 -0.582 247 1HB CYS 33 HB2 CYS 33 3.525 0.581 2.100 248 2HB CYS 33 HB1 CYS 33 1.963 1.390 2.124 249 H LYS 34 HN LYS 34 1.690 2.076 -1.876 250 HA LYS 34 HA LYS 34 0.513 4.574 -0.723 251 1HB LYS 34 HB2 LYS 34 0.733 3.751 -3.627 252 2HB LYS 34 HB1 LYS 34 0.482 5.375 -2.983 253 1HG LYS 34 HG2 LYS 34 2.792 4.802 -1.741 254 2HG LYS 34 HG1 LYS 34 2.990 3.771 -3.158 255 1HD LYS 34 HD2 LYS 34 2.281 6.717 -3.281 256 2HD LYS 34 HD1 LYS 34 3.912 6.079 -3.486 257 1HE LYS 34 HE2 LYS 34 3.491 5.502 -5.639 258 2HE LYS 34 HE1 LYS 34 1.987 4.678 -5.184 259 1HZ LYS 34 HZ1 LYS 34 0.762 6.530 -5.498 260 2HZ LYS 34 HZ2 LYS 34 2.033 6.974 -6.534 261 3HZ LYS 34 HZ3 LYS 34 1.980 7.572 -4.944 262 H CYS 35 HN CYS 35 -1.586 4.267 -0.080 263 HA CYS 35 HA CYS 35 -3.255 2.272 -1.576 264 1HB CYS 35 HB2 CYS 35 -3.711 3.465 1.170 265 2HB CYS 35 HB1 CYS 35 -4.447 2.012 0.497 266 H TYR 36 HN TYR 36 -5.278 2.933 -2.378 267 HA TYR 36 HA TYR 36 -5.691 5.865 -2.586 268 1HB TYR 36 HB2 TYR 36 -6.816 3.392 -3.920 269 2HB TYR 36 HB1 TYR 36 -7.470 5.002 -4.231 270 HD1 TYR 36 HD1 TYR 36 -6.516 6.307 -5.920 271 HD2 TYR 36 HD2 TYR 36 -4.194 3.182 -4.109 272 HE1 TYR 36 HE1 TYR 36 -4.675 6.747 -7.524 273 HE2 TYR 36 HE2 TYR 36 -2.353 3.620 -5.710 274 HH TYR 36 HH TYR 36 -2.008 6.323 -7.417 275 HA PRO 37 HA PRO 37 -8.852 6.021 0.475 276 1HB PRO 37 HB2 PRO 37 -10.487 7.811 -1.075 277 2HB PRO 37 HB1 PRO 37 -9.391 8.212 0.251 278 1HG PRO 37 HG2 PRO 37 -9.039 8.752 -2.546 279 2HG PRO 37 HG1 PRO 37 -7.949 9.154 -1.216 280 1HD PRO 37 HD2 PRO 37 -7.589 7.140 -3.251 281 2HD PRO 37 HD1 PRO 37 -6.496 7.537 -1.903 Start of MODEL 26 1 1H VAL 1 HT1 VAL 1 -3.255 9.181 0.766 2 2H VAL 1 HT2 VAL 1 -1.713 9.551 0.157 3 3H VAL 1 HT3 VAL 1 -2.585 10.717 1.034 4 HA VAL 1 HA VAL 1 -1.137 9.981 2.646 5 HB VAL 1 HB VAL 1 -3.763 9.575 2.892 6 1HG1 VAL 1 HG11 VAL 1 -3.626 7.265 1.942 7 2HG1 VAL 1 HG12 VAL 1 -4.291 7.295 3.575 8 3HG1 VAL 1 HG13 VAL 1 -2.620 6.795 3.313 9 1HG2 VAL 1 HG21 VAL 1 -1.621 8.602 4.804 10 2HG2 VAL 1 HG22 VAL 1 -3.311 8.829 5.256 11 3HG2 VAL 1 HG23 VAL 1 -2.341 10.212 4.744 12 H PHE 2 HN PHE 2 0.715 8.770 2.708 13 HA PHE 2 HA PHE 2 0.629 5.993 1.564 14 1HB PHE 2 HB2 PHE 2 2.801 8.116 1.530 15 2HB PHE 2 HB1 PHE 2 2.991 6.483 0.892 16 HD1 PHE 2 HD1 PHE 2 2.584 6.143 -1.371 17 HD2 PHE 2 HD2 PHE 2 0.603 9.379 0.646 18 HE1 PHE 2 HE1 PHE 2 1.559 6.852 -3.513 19 HE2 PHE 2 HE2 PHE 2 -0.425 10.083 -1.494 20 HZ PHE 2 HZ PHE 2 0.054 8.823 -3.575 21 H ILE 3 HN ILE 3 2.060 4.451 2.627 22 HA ILE 3 HA ILE 3 2.719 5.236 5.446 23 HB ILE 3 HB ILE 3 2.540 2.691 5.755 24 1HG1 ILE 3 HG12 ILE 3 1.160 2.892 3.064 25 2HG1 ILE 3 HG11 ILE 3 2.783 2.237 3.279 26 1HG2 ILE 3 HG21 ILE 3 0.349 4.610 5.128 27 2HG2 ILE 3 HG22 ILE 3 0.683 3.733 6.621 28 3HG2 ILE 3 HG23 ILE 3 -0.092 2.909 5.268 29 1HD1 ILE 3 HD11 ILE 3 1.295 0.916 5.217 30 2HD1 ILE 3 HD12 ILE 3 1.774 0.248 3.656 31 3HD1 ILE 3 HD13 ILE 3 0.192 1.003 3.844 32 H ASN 4 HN ASN 4 4.817 4.935 6.151 33 HA ASN 4 HA ASN 4 6.963 4.690 4.276 34 1HB ASN 4 HB2 ASN 4 8.293 4.511 6.419 35 2HB ASN 4 HB1 ASN 4 7.163 5.866 6.385 36 1HD2 ASN 4 HD21 ASN 4 5.772 6.000 8.153 37 2HD2 ASN 4 HD22 ASN 4 5.400 4.716 9.198 38 H ALA 5 HN ALA 5 4.950 2.265 5.550 39 HA ALA 5 HA ALA 5 6.459 0.061 6.196 40 1HB ALA 5 HB1 ALA 5 4.340 -0.149 4.068 41 2HB ALA 5 HB2 ALA 5 3.913 0.436 5.676 42 3HB ALA 5 HB3 ALA 5 4.598 -1.178 5.477 43 H LYS 6 HN LYS 6 8.366 -0.597 5.270 44 HA LYS 6 HA LYS 6 9.111 -0.049 2.531 45 1HB LYS 6 HB2 LYS 6 10.161 -1.372 4.945 46 2HB LYS 6 HB1 LYS 6 10.750 -2.071 3.437 47 1HG LYS 6 HG2 LYS 6 10.796 0.780 3.176 48 2HG LYS 6 HG1 LYS 6 11.590 0.350 4.692 49 1HD LYS 6 HD2 LYS 6 12.623 -1.548 3.032 50 2HD LYS 6 HD1 LYS 6 12.419 -0.206 1.905 51 1HE LYS 6 HE2 LYS 6 14.560 0.226 2.779 52 2HE LYS 6 HE1 LYS 6 13.538 1.200 3.856 53 1HZ LYS 6 HZ1 LYS 6 13.333 -0.875 5.248 54 2HZ LYS 6 HZ2 LYS 6 14.859 -0.129 5.265 55 3HZ LYS 6 HZ3 LYS 6 14.604 -1.526 4.332 56 H CYS 7 HN CYS 7 7.147 -1.023 1.465 57 HA CYS 7 HA CYS 7 6.710 -3.898 1.579 58 1HB CYS 7 HB2 CYS 7 5.195 -3.355 -0.349 59 2HB CYS 7 HB1 CYS 7 4.928 -2.314 1.049 60 H ARG 8 HN ARG 8 6.816 -5.164 -0.599 61 HA ARG 8 HA ARG 8 9.293 -4.412 -2.114 62 1HB ARG 8 HB2 ARG 8 8.478 -7.009 -0.799 63 2HB ARG 8 HB1 ARG 8 9.731 -6.945 -2.040 64 1HG ARG 8 HG2 ARG 8 10.548 -4.917 -0.428 65 2HG ARG 8 HG1 ARG 8 9.798 -5.984 0.761 66 1HD ARG 8 HD2 ARG 8 11.271 -7.766 0.277 67 2HD ARG 8 HD1 ARG 8 11.731 -7.072 -1.292 68 HE ARG 8 HE ARG 8 12.559 -5.960 1.358 69 1HH1 ARG 8 HH21 ARG 8 12.489 -3.860 -0.710 70 2HH1 ARG 8 HH22 ARG 8 14.068 -3.957 -1.418 71 1HH2 ARG 8 HH11 ARG 8 14.734 -7.112 -0.143 72 2HH2 ARG 8 HH12 ARG 8 15.340 -5.797 -1.095 73 H GLY 9 HN GLY 9 6.131 -5.976 -2.114 74 1HA GLY 9 HA2 GLY 9 6.362 -6.254 -5.084 75 2HA GLY 9 HA1 GLY 9 5.408 -7.355 -4.091 76 H SER 10 HN SER 10 4.697 -5.385 -6.323 77 HA SER 10 HA SER 10 3.169 -3.223 -5.276 78 1HB SER 10 HB2 SER 10 3.531 -4.706 -7.774 79 2HB SER 10 HB1 SER 10 1.898 -4.070 -7.596 80 HG SER 10 HG SER 10 2.714 -2.203 -8.071 81 HA PRO 11 HA PRO 11 -0.645 -6.237 -5.499 82 1HB PRO 11 HB2 PRO 11 0.386 -8.912 -5.265 83 2HB PRO 11 HB1 PRO 11 -0.521 -8.208 -6.608 84 1HG PRO 11 HG2 PRO 11 2.260 -8.901 -6.538 85 2HG PRO 11 HG1 PRO 11 1.354 -8.184 -7.873 86 1HD PRO 11 HD2 PRO 11 3.327 -6.925 -6.189 87 2HD PRO 11 HD1 PRO 11 2.424 -6.204 -7.542 88 H GLU 12 HN GLU 12 2.249 -7.274 -3.701 89 HA GLU 12 HA GLU 12 0.938 -8.336 -1.395 90 1HB GLU 12 HB2 GLU 12 3.617 -7.209 -2.116 91 2HB GLU 12 HB1 GLU 12 3.263 -7.469 -0.407 92 1HG GLU 12 HG2 GLU 12 2.397 -9.820 -1.310 93 2HG GLU 12 HG1 GLU 12 3.536 -9.469 -2.611 94 H CYS 13 HN CYS 13 1.568 -5.034 -2.414 95 HA CYS 13 HA CYS 13 1.255 -3.758 0.152 96 1HB CYS 13 HB2 CYS 13 1.771 -3.091 -2.554 97 2HB CYS 13 HB1 CYS 13 0.354 -2.156 -2.079 98 H LEU 14 HN LEU 14 -1.044 -4.651 -2.429 99 HA LEU 14 HA LEU 14 -3.363 -3.340 -1.662 100 1HB LEU 14 HB2 LEU 14 -2.592 -5.716 -3.093 101 2HB LEU 14 HB1 LEU 14 -4.053 -6.050 -2.165 102 HG LEU 14 HG LEU 14 -5.058 -3.950 -3.105 103 1HD1 LEU 14 HD11 LEU 14 -3.363 -3.747 -5.414 104 2HD1 LEU 14 HD12 LEU 14 -2.372 -3.561 -3.967 105 3HD1 LEU 14 HD13 LEU 14 -3.756 -2.500 -4.230 106 1HD2 LEU 14 HD21 LEU 14 -5.186 -4.925 -5.512 107 2HD2 LEU 14 HD22 LEU 14 -5.764 -5.931 -4.183 108 3HD2 LEU 14 HD23 LEU 14 -4.172 -6.222 -4.882 109 HA PRO 15 HA PRO 15 -4.312 -6.786 1.649 110 1HB PRO 15 HB2 PRO 15 -1.777 -7.973 2.325 111 2HB PRO 15 HB1 PRO 15 -3.200 -8.765 1.641 112 1HG PRO 15 HG2 PRO 15 -0.710 -8.127 0.329 113 2HG PRO 15 HG1 PRO 15 -2.101 -8.996 -0.324 114 1HD PRO 15 HD2 PRO 15 -1.233 -6.367 -1.019 115 2HD PRO 15 HD1 PRO 15 -2.719 -7.185 -1.554 116 H LYS 16 HN LYS 16 -0.875 -5.740 1.916 117 HA LYS 16 HA LYS 16 -0.894 -4.967 4.628 118 1HB LYS 16 HB2 LYS 16 0.565 -4.148 2.136 119 2HB LYS 16 HB1 LYS 16 0.832 -3.215 3.610 120 1HG LYS 16 HG2 LYS 16 1.057 -6.233 3.503 121 2HG LYS 16 HG1 LYS 16 2.434 -5.155 3.269 122 1HD LYS 16 HD2 LYS 16 0.642 -5.069 5.710 123 2HD LYS 16 HD1 LYS 16 2.154 -5.976 5.642 124 1HE LYS 16 HE2 LYS 16 3.401 -3.906 5.162 125 2HE LYS 16 HE1 LYS 16 1.887 -2.981 5.193 126 1HZ LYS 16 HZ1 LYS 16 2.998 -4.606 7.420 127 2HZ LYS 16 HZ2 LYS 16 1.489 -3.827 7.445 128 3HZ LYS 16 HZ3 LYS 16 2.918 -2.913 7.363 129 H CYS 17 HN CYS 17 -1.938 -3.161 1.742 130 HA CYS 17 HA CYS 17 -2.515 -0.680 3.104 131 1HB CYS 17 HB2 CYS 17 -2.176 -1.067 0.631 132 2HB CYS 17 HB1 CYS 17 -3.752 -1.859 0.593 133 H LYS 18 HN LYS 18 -4.495 -3.513 2.210 134 HA LYS 18 HA LYS 18 -7.032 -2.611 3.066 135 1HB LYS 18 HB2 LYS 18 -6.771 -4.662 1.853 136 2HB LYS 18 HB1 LYS 18 -5.650 -5.306 3.051 137 1HG LYS 18 HG2 LYS 18 -7.363 -6.190 4.205 138 2HG LYS 18 HG1 LYS 18 -8.089 -4.592 4.377 139 1HD LYS 18 HD2 LYS 18 -9.035 -4.865 2.053 140 2HD LYS 18 HD1 LYS 18 -8.470 -6.536 2.084 141 1HE LYS 18 HE2 LYS 18 -10.544 -6.952 2.976 142 2HE LYS 18 HE1 LYS 18 -9.804 -6.374 4.483 143 1HZ LYS 18 HZ1 LYS 18 -11.544 -4.947 2.600 144 2HZ LYS 18 HZ2 LYS 18 -10.345 -4.059 3.413 145 3HZ LYS 18 HZ3 LYS 18 -11.528 -4.902 4.295 146 H GLU 19 HN GLU 19 -4.229 -3.584 4.921 147 HA GLU 19 HA GLU 19 -5.792 -3.720 7.448 148 1HB GLU 19 HB2 GLU 19 -3.884 -5.299 6.609 149 2HB GLU 19 HB1 GLU 19 -2.807 -4.001 7.124 150 1HG GLU 19 HG2 GLU 19 -2.911 -5.079 9.135 151 2HG GLU 19 HG1 GLU 19 -4.415 -4.172 9.302 152 H ALA 20 HN ALA 20 -3.733 -1.577 5.643 153 HA ALA 20 HA ALA 20 -3.050 0.119 7.953 154 1HB ALA 20 HB1 ALA 20 -1.550 -0.330 5.999 155 2HB ALA 20 HB2 ALA 20 -1.853 1.391 6.237 156 3HB ALA 20 HB3 ALA 20 -2.701 0.514 4.963 157 H ILE 21 HN ILE 21 -5.130 0.334 5.049 158 HA ILE 21 HA ILE 21 -6.439 2.736 6.278 159 HB ILE 21 HB ILE 21 -5.209 2.896 4.050 160 1HG1 ILE 21 HG12 ILE 21 -8.191 3.463 4.098 161 2HG1 ILE 21 HG11 ILE 21 -6.923 4.533 4.696 162 1HG2 ILE 21 HG21 ILE 21 -5.902 0.676 3.200 163 2HG2 ILE 21 HG22 ILE 21 -6.365 1.964 2.089 164 3HG2 ILE 21 HG23 ILE 21 -7.575 1.228 3.141 165 1HD1 ILE 21 HD11 ILE 21 -6.107 3.932 2.102 166 2HD1 ILE 21 HD12 ILE 21 -6.877 5.431 2.623 167 3HD1 ILE 21 HD13 ILE 21 -7.855 4.122 1.958 168 H GLY 22 HN GLY 22 -6.980 -0.412 4.748 169 1HA GLY 22 HA2 GLY 22 -8.829 -1.856 5.224 170 2HA GLY 22 HA1 GLY 22 -9.668 -0.496 5.967 171 H LYS 23 HN LYS 23 -8.181 -0.629 2.737 172 HA LYS 23 HA LYS 23 -10.915 -0.474 1.535 173 1HB LYS 23 HB2 LYS 23 -8.751 1.537 1.642 174 2HB LYS 23 HB1 LYS 23 -9.466 1.306 0.045 175 1HG LYS 23 HG2 LYS 23 -10.970 2.841 0.864 176 2HG LYS 23 HG1 LYS 23 -11.726 1.378 1.495 177 1HD LYS 23 HD2 LYS 23 -10.804 1.702 3.660 178 2HD LYS 23 HD1 LYS 23 -9.647 2.897 3.074 179 1HE LYS 23 HE2 LYS 23 -11.491 4.038 4.238 180 2HE LYS 23 HE1 LYS 23 -11.574 4.410 2.505 181 1HZ LYS 23 HZ1 LYS 23 -12.920 2.001 3.510 182 2HZ LYS 23 HZ2 LYS 23 -13.314 2.979 2.176 183 3HZ LYS 23 HZ3 LYS 23 -13.668 3.503 3.753 184 H ALA 24 HN ALA 24 -8.064 -2.103 1.600 185 HA ALA 24 HA ALA 24 -6.825 -3.359 0.006 186 1HB ALA 24 HB1 ALA 24 -9.770 -3.636 -0.483 187 2HB ALA 24 HB2 ALA 24 -8.631 -4.825 0.149 188 3HB ALA 24 HB3 ALA 24 -8.654 -4.455 -1.575 189 H ALA 25 HN ALA 25 -6.713 -0.628 -0.689 190 HA ALA 25 HA ALA 25 -6.643 -0.841 -3.664 191 1HB ALA 25 HB1 ALA 25 -7.974 1.330 -2.011 192 2HB ALA 25 HB2 ALA 25 -8.779 0.188 -3.087 193 3HB ALA 25 HB3 ALA 25 -7.718 1.428 -3.753 194 H GLY 26 HN GLY 26 -4.291 -0.933 -3.309 195 1HA GLY 26 HA2 GLY 26 -3.092 1.722 -3.227 196 2HA GLY 26 HA1 GLY 26 -2.676 0.742 -1.821 197 H LYS 27 HN LYS 27 -0.549 1.388 -3.255 198 HA LYS 27 HA LYS 27 0.158 -1.147 -4.666 199 1HB LYS 27 HB2 LYS 27 0.923 1.580 -5.727 200 2HB LYS 27 HB1 LYS 27 0.933 0.035 -6.578 201 1HG LYS 27 HG2 LYS 27 -1.640 0.039 -6.092 202 2HG LYS 27 HG1 LYS 27 -1.414 1.771 -5.848 203 1HD LYS 27 HD2 LYS 27 -0.645 0.218 -8.339 204 2HD LYS 27 HD1 LYS 27 -2.025 1.306 -8.185 205 1HE LYS 27 HE2 LYS 27 -0.413 2.722 -9.145 206 2HE LYS 27 HE1 LYS 27 -0.176 3.045 -7.415 207 1HZ LYS 27 HZ1 LYS 27 1.753 1.920 -7.375 208 2HZ LYS 27 HZ2 LYS 27 1.768 2.189 -9.053 209 3HZ LYS 27 HZ3 LYS 27 1.205 0.711 -8.432 210 H CYS 28 HN CYS 28 2.675 -1.072 -5.082 211 HA CYS 28 HA CYS 28 3.968 0.125 -2.652 212 1HB CYS 28 HB2 CYS 28 3.836 -2.307 -2.585 213 2HB CYS 28 HB1 CYS 28 4.493 -2.425 -4.215 214 H MET 29 HN MET 29 5.336 1.772 -3.213 215 HA MET 29 HA MET 29 7.132 1.428 -5.552 216 1HB MET 29 HB2 MET 29 4.721 2.740 -5.781 217 2HB MET 29 HB1 MET 29 5.824 4.067 -5.416 218 1HG MET 29 HG2 MET 29 7.308 3.335 -7.253 219 2HG MET 29 HG1 MET 29 6.192 2.020 -7.626 220 1HE MET 29 HE1 MET 29 6.972 5.268 -9.556 221 2HE MET 29 HE2 MET 29 7.386 5.238 -7.844 222 3HE MET 29 HE3 MET 29 6.172 6.372 -8.430 223 H ASN 30 HN ASN 30 9.013 2.766 -5.397 224 HA ASN 30 HA ASN 30 10.695 3.960 -4.243 225 1HB ASN 30 HB2 ASN 30 8.226 5.341 -4.148 226 2HB ASN 30 HB1 ASN 30 8.930 5.488 -2.537 227 1HD2 ASN 30 HD21 ASN 30 9.588 7.716 -2.778 228 2HD2 ASN 30 HD22 ASN 30 10.808 8.188 -3.861 229 H GLY 31 HN GLY 31 9.168 1.532 -2.953 230 1HA GLY 31 HA2 GLY 31 9.726 0.256 -1.035 231 2HA GLY 31 HA1 GLY 31 10.673 1.622 -0.442 232 H LYS 32 HN LYS 32 7.440 2.289 -1.459 233 HA LYS 32 HA LYS 32 6.469 2.190 1.372 234 1HB LYS 32 HB2 LYS 32 6.953 4.485 -0.431 235 2HB LYS 32 HB1 LYS 32 5.391 4.510 0.386 236 1HG LYS 32 HG2 LYS 32 6.327 4.930 2.404 237 2HG LYS 32 HG1 LYS 32 7.608 3.744 2.149 238 1HD LYS 32 HD2 LYS 32 7.915 6.033 0.379 239 2HD LYS 32 HD1 LYS 32 7.891 6.526 2.073 240 1HE LYS 32 HE2 LYS 32 9.592 4.668 2.511 241 2HE LYS 32 HE1 LYS 32 9.763 4.546 0.747 242 1HZ LYS 32 HZ1 LYS 32 9.809 7.210 1.963 243 2HZ LYS 32 HZ2 LYS 32 10.615 6.638 0.580 244 3HZ LYS 32 HZ3 LYS 32 11.196 6.248 2.128 245 H CYS 33 HN CYS 33 4.005 2.543 1.400 246 HA CYS 33 HA CYS 33 2.805 1.142 -0.961 247 1HB CYS 33 HB2 CYS 33 2.806 0.397 1.602 248 2HB CYS 33 HB1 CYS 33 1.419 1.482 1.664 249 H LYS 34 HN LYS 34 1.503 2.349 -2.255 250 HA LYS 34 HA LYS 34 0.614 5.033 -1.336 251 1HB LYS 34 HB2 LYS 34 0.214 3.741 -4.041 252 2HB LYS 34 HB1 LYS 34 0.330 5.459 -3.664 253 1HG LYS 34 HG2 LYS 34 2.677 5.286 -3.195 254 2HG LYS 34 HG1 LYS 34 2.619 3.524 -3.228 255 1HD LYS 34 HD2 LYS 34 3.075 3.572 -5.427 256 2HD LYS 34 HD1 LYS 34 1.551 4.418 -5.699 257 1HE LYS 34 HE2 LYS 34 3.153 6.453 -4.753 258 2HE LYS 34 HE1 LYS 34 4.297 5.483 -5.702 259 1HZ LYS 34 HZ1 LYS 34 1.802 6.781 -6.570 260 2HZ LYS 34 HZ2 LYS 34 2.320 5.369 -7.361 261 3HZ LYS 34 HZ3 LYS 34 3.315 6.746 -7.338 262 H CYS 35 HN CYS 35 -1.243 4.710 -0.050 263 HA CYS 35 HA CYS 35 -3.384 2.928 -1.116 264 1HB CYS 35 HB2 CYS 35 -2.750 4.204 1.552 265 2HB CYS 35 HB1 CYS 35 -4.293 3.405 1.248 266 H TYR 36 HN TYR 36 -5.403 3.762 -1.686 267 HA TYR 36 HA TYR 36 -5.921 6.674 -1.274 268 1HB TYR 36 HB2 TYR 36 -5.345 5.193 -3.772 269 2HB TYR 36 HB1 TYR 36 -6.751 6.253 -3.856 270 HD1 TYR 36 HD1 TYR 36 -5.919 8.411 -1.964 271 HD2 TYR 36 HD2 TYR 36 -3.710 6.358 -5.022 272 HE1 TYR 36 HE1 TYR 36 -4.427 10.377 -2.206 273 HE2 TYR 36 HE2 TYR 36 -2.216 8.323 -5.262 274 HH TYR 36 HH TYR 36 -2.168 10.658 -4.814 275 HA PRO 37 HA PRO 37 -10.125 5.527 -0.617 276 1HB PRO 37 HB2 PRO 37 -11.280 7.231 -2.627 277 2HB PRO 37 HB1 PRO 37 -11.161 7.524 -0.889 278 1HG PRO 37 HG2 PRO 37 -9.686 8.800 -2.999 279 2HG PRO 37 HG1 PRO 37 -9.580 9.100 -1.262 280 1HD PRO 37 HD2 PRO 37 -7.638 7.797 -2.939 281 2HD PRO 37 HD1 PRO 37 -7.556 8.060 -1.179 Start of MODEL 27 1 1H VAL 1 HT1 VAL 1 -2.182 9.893 0.765 2 2H VAL 1 HT2 VAL 1 -0.877 10.344 1.755 3 3H VAL 1 HT3 VAL 1 -2.455 10.830 2.152 4 HA VAL 1 HA VAL 1 -1.987 9.044 3.603 5 HB VAL 1 HB VAL 1 -3.598 8.327 1.140 6 1HG1 VAL 1 HG11 VAL 1 -4.694 6.786 3.052 7 2HG1 VAL 1 HG12 VAL 1 -3.022 6.772 3.616 8 3HG1 VAL 1 HG13 VAL 1 -3.411 6.199 1.995 9 1HG2 VAL 1 HG21 VAL 1 -4.800 8.877 3.805 10 2HG2 VAL 1 HG22 VAL 1 -5.360 9.349 2.201 11 3HG2 VAL 1 HG23 VAL 1 -4.060 10.249 2.983 12 H PHE 2 HN PHE 2 0.490 8.956 2.690 13 HA PHE 2 HA PHE 2 0.898 6.313 1.338 14 1HB PHE 2 HB2 PHE 2 2.449 8.885 1.595 15 2HB PHE 2 HB1 PHE 2 3.281 7.395 1.159 16 HD1 PHE 2 HD1 PHE 2 3.733 8.922 -0.949 17 HD2 PHE 2 HD2 PHE 2 -0.095 7.254 0.065 18 HE1 PHE 2 HE1 PHE 2 2.990 9.195 -3.299 19 HE2 PHE 2 HE2 PHE 2 -0.836 7.527 -2.285 20 HZ PHE 2 HZ PHE 2 0.706 8.499 -3.967 21 H ILE 3 HN ILE 3 2.253 4.761 2.358 22 HA ILE 3 HA ILE 3 2.953 5.374 5.212 23 HB ILE 3 HB ILE 3 2.558 2.599 4.135 24 1HG1 ILE 3 HG12 ILE 3 0.306 4.459 4.975 25 2HG1 ILE 3 HG11 ILE 3 0.603 3.912 3.325 26 1HG2 ILE 3 HG21 ILE 3 2.269 4.036 6.765 27 2HG2 ILE 3 HG22 ILE 3 3.248 2.619 6.381 28 3HG2 ILE 3 HG23 ILE 3 1.495 2.473 6.505 29 1HD1 ILE 3 HD11 ILE 3 0.603 1.547 4.763 30 2HD1 ILE 3 HD12 ILE 3 -0.754 2.171 3.825 31 3HD1 ILE 3 HD13 ILE 3 -0.658 2.491 5.557 32 H ASN 4 HN ASN 4 4.863 4.125 6.011 33 HA ASN 4 HA ASN 4 6.889 3.728 3.834 34 1HB ASN 4 HB2 ASN 4 8.506 4.456 5.587 35 2HB ASN 4 HB1 ASN 4 7.275 5.681 5.279 36 1HD2 ASN 4 HD21 ASN 4 5.628 6.028 6.935 37 2HD2 ASN 4 HD22 ASN 4 5.808 5.408 8.504 38 H ALA 5 HN ALA 5 5.252 1.559 4.520 39 HA ALA 5 HA ALA 5 6.555 -0.068 6.589 40 1HB ALA 5 HB1 ALA 5 4.890 -1.693 5.091 41 2HB ALA 5 HB2 ALA 5 4.179 -0.096 4.856 42 3HB ALA 5 HB3 ALA 5 4.383 -0.739 6.486 43 H LYS 6 HN LYS 6 7.778 0.862 3.781 44 HA LYS 6 HA LYS 6 9.263 -0.087 2.201 45 1HB LYS 6 HB2 LYS 6 9.858 -0.857 4.799 46 2HB LYS 6 HB1 LYS 6 9.865 -2.382 3.914 47 1HG LYS 6 HG2 LYS 6 12.101 -1.401 3.843 48 2HG LYS 6 HG1 LYS 6 11.391 -1.361 2.228 49 1HD LYS 6 HD2 LYS 6 10.605 1.005 2.775 50 2HD LYS 6 HD1 LYS 6 11.652 0.923 4.190 51 1HE LYS 6 HE2 LYS 6 13.337 0.043 2.188 52 2HE LYS 6 HE1 LYS 6 12.379 1.289 1.363 53 1HZ LYS 6 HZ1 LYS 6 12.839 2.833 3.104 54 2HZ LYS 6 HZ2 LYS 6 14.325 2.183 2.597 55 3HZ LYS 6 HZ3 LYS 6 13.610 1.648 4.042 56 H CYS 7 HN CYS 7 7.019 -0.702 1.158 57 HA CYS 7 HA CYS 7 5.954 -3.311 1.260 58 1HB CYS 7 HB2 CYS 7 5.152 -2.735 -1.052 59 2HB CYS 7 HB1 CYS 7 4.891 -1.438 0.114 60 H ARG 8 HN ARG 8 6.161 -4.858 -0.783 61 HA ARG 8 HA ARG 8 9.077 -5.408 -1.102 62 1HB ARG 8 HB2 ARG 8 6.561 -6.950 -0.891 63 2HB ARG 8 HB1 ARG 8 7.736 -7.597 -2.039 64 1HG ARG 8 HG2 ARG 8 9.349 -6.970 0.082 65 2HG ARG 8 HG1 ARG 8 7.867 -7.457 0.905 66 1HD ARG 8 HD2 ARG 8 8.960 -9.520 0.645 67 2HD ARG 8 HD1 ARG 8 7.952 -9.477 -0.815 68 HE ARG 8 HE ARG 8 9.907 -9.087 -2.106 69 1HH1 ARG 8 HH11 ARG 8 10.757 -9.920 1.011 70 2HH1 ARG 8 HH12 ARG 8 12.336 -9.207 0.973 71 1HH2 ARG 8 HH21 ARG 8 11.826 -7.608 -2.064 72 2HH2 ARG 8 HH22 ARG 8 12.939 -7.896 -0.768 73 H GLY 9 HN GLY 9 6.072 -5.116 -3.023 74 1HA GLY 9 HA2 GLY 9 7.576 -4.125 -5.302 75 2HA GLY 9 HA1 GLY 9 7.009 -5.775 -5.555 76 H SER 10 HN SER 10 4.522 -5.609 -4.206 77 HA SER 10 HA SER 10 2.877 -3.405 -4.813 78 1HB SER 10 HB2 SER 10 3.844 -4.894 -7.116 79 2HB SER 10 HB1 SER 10 2.084 -4.893 -7.056 80 HG SER 10 HG SER 10 2.658 -3.036 -8.083 81 HA PRO 11 HA PRO 11 0.097 -7.404 -4.868 82 1HB PRO 11 HB2 PRO 11 1.836 -9.619 -4.274 83 2HB PRO 11 HB1 PRO 11 0.856 -9.360 -5.720 84 1HG PRO 11 HG2 PRO 11 3.714 -9.165 -5.460 85 2HG PRO 11 HG1 PRO 11 2.735 -8.944 -6.912 86 1HD PRO 11 HD2 PRO 11 4.124 -6.930 -5.420 87 2HD PRO 11 HD1 PRO 11 3.069 -6.695 -6.833 88 H GLU 12 HN GLU 12 2.735 -6.606 -2.812 89 HA GLU 12 HA GLU 12 1.540 -7.957 -0.450 90 1HB GLU 12 HB2 GLU 12 4.138 -6.771 -1.265 91 2HB GLU 12 HB1 GLU 12 3.729 -6.624 0.445 92 1HG GLU 12 HG2 GLU 12 4.767 -8.701 0.441 93 2HG GLU 12 HG1 GLU 12 3.090 -9.182 0.180 94 H CYS 13 HN CYS 13 1.754 -4.815 -1.947 95 HA CYS 13 HA CYS 13 1.208 -3.247 0.441 96 1HB CYS 13 HB2 CYS 13 1.759 -2.904 -2.369 97 2HB CYS 13 HB1 CYS 13 0.383 -1.899 -1.911 98 H LEU 14 HN LEU 14 -0.814 -4.292 -2.337 99 HA LEU 14 HA LEU 14 -3.260 -3.176 -1.737 100 1HB LEU 14 HB2 LEU 14 -2.222 -5.443 -3.153 101 2HB LEU 14 HB1 LEU 14 -3.707 -5.926 -2.337 102 HG LEU 14 HG LEU 14 -4.046 -3.303 -3.485 103 1HD1 LEU 14 HD11 LEU 14 -2.404 -3.818 -5.138 104 2HD1 LEU 14 HD12 LEU 14 -3.959 -4.154 -5.900 105 3HD1 LEU 14 HD13 LEU 14 -2.972 -5.481 -5.288 106 1HD2 LEU 14 HD21 LEU 14 -5.895 -4.775 -2.927 107 2HD2 LEU 14 HD22 LEU 14 -5.272 -6.032 -3.995 108 3HD2 LEU 14 HD23 LEU 14 -5.900 -4.530 -4.674 109 HA PRO 15 HA PRO 15 -4.234 -6.715 1.440 110 1HB PRO 15 HB2 PRO 15 -1.711 -7.725 2.382 111 2HB PRO 15 HB1 PRO 15 -2.979 -8.603 1.524 112 1HG PRO 15 HG2 PRO 15 -0.412 -7.810 0.527 113 2HG PRO 15 HG1 PRO 15 -1.689 -8.674 -0.333 114 1HD PRO 15 HD2 PRO 15 -0.838 -5.941 -0.699 115 2HD PRO 15 HD1 PRO 15 -2.112 -6.818 -1.580 116 H LYS 16 HN LYS 16 -0.931 -5.468 2.129 117 HA LYS 16 HA LYS 16 -1.288 -4.752 4.822 118 1HB LYS 16 HB2 LYS 16 0.267 -3.454 2.560 119 2HB LYS 16 HB1 LYS 16 0.498 -3.038 4.260 120 1HG LYS 16 HG2 LYS 16 0.933 -5.744 2.969 121 2HG LYS 16 HG1 LYS 16 2.158 -4.696 3.684 122 1HD LYS 16 HD2 LYS 16 0.489 -4.927 5.794 123 2HD LYS 16 HD1 LYS 16 0.183 -6.477 5.008 124 1HE LYS 16 HE2 LYS 16 2.028 -7.088 6.269 125 2HE LYS 16 HE1 LYS 16 2.885 -6.440 4.856 126 1HZ LYS 16 HZ1 LYS 16 3.403 -4.525 5.919 127 2HZ LYS 16 HZ2 LYS 16 3.285 -5.508 7.299 128 3HZ LYS 16 HZ3 LYS 16 1.983 -4.513 6.847 129 H CYS 17 HN CYS 17 -2.214 -2.983 1.885 130 HA CYS 17 HA CYS 17 -3.056 -0.556 3.197 131 1HB CYS 17 HB2 CYS 17 -2.506 -0.987 0.744 132 2HB CYS 17 HB1 CYS 17 -4.080 -1.773 0.614 133 H LYS 18 HN LYS 18 -4.703 -3.581 2.326 134 HA LYS 18 HA LYS 18 -7.383 -2.805 2.931 135 1HB LYS 18 HB2 LYS 18 -6.166 -4.962 1.893 136 2HB LYS 18 HB1 LYS 18 -6.379 -5.554 3.541 137 1HG LYS 18 HG2 LYS 18 -8.812 -4.923 3.375 138 2HG LYS 18 HG1 LYS 18 -8.545 -4.561 1.669 139 1HD LYS 18 HD2 LYS 18 -7.813 -6.863 1.265 140 2HD LYS 18 HD1 LYS 18 -7.993 -7.241 2.977 141 1HE LYS 18 HE2 LYS 18 -10.447 -6.071 2.024 142 2HE LYS 18 HE1 LYS 18 -9.991 -7.425 0.970 143 1HZ LYS 18 HZ1 LYS 18 -10.184 -7.451 3.935 144 2HZ LYS 18 HZ2 LYS 18 -9.503 -8.711 3.021 145 3HZ LYS 18 HZ3 LYS 18 -11.147 -8.321 2.843 146 H GLU 19 HN GLU 19 -4.671 -3.721 4.974 147 HA GLU 19 HA GLU 19 -6.409 -3.927 7.376 148 1HB GLU 19 HB2 GLU 19 -3.395 -4.124 7.227 149 2HB GLU 19 HB1 GLU 19 -4.482 -4.888 8.386 150 1HG GLU 19 HG2 GLU 19 -5.461 -6.208 6.465 151 2HG GLU 19 HG1 GLU 19 -4.172 -5.564 5.448 152 H ALA 20 HN ALA 20 -4.189 -1.715 5.816 153 HA ALA 20 HA ALA 20 -3.631 -0.065 8.137 154 1HB ALA 20 HB1 ALA 20 -2.759 1.466 6.384 155 2HB ALA 20 HB2 ALA 20 -3.521 0.464 5.148 156 3HB ALA 20 HB3 ALA 20 -2.208 -0.190 6.129 157 H ILE 21 HN ILE 21 -5.869 0.281 5.354 158 HA ILE 21 HA ILE 21 -7.334 2.372 6.930 159 HB ILE 21 HB ILE 21 -7.914 3.315 4.770 160 1HG1 ILE 21 HG12 ILE 21 -6.615 0.808 3.659 161 2HG1 ILE 21 HG11 ILE 21 -8.312 1.264 3.524 162 1HG2 ILE 21 HG21 ILE 21 -5.392 3.270 5.785 163 2HG2 ILE 21 HG22 ILE 21 -5.846 4.193 4.353 164 3HG2 ILE 21 HG23 ILE 21 -5.097 2.606 4.178 165 1HD1 ILE 21 HD11 ILE 21 -7.499 3.385 2.342 166 2HD1 ILE 21 HD12 ILE 21 -7.325 1.878 1.442 167 3HD1 ILE 21 HD13 ILE 21 -5.924 2.598 2.236 168 H GLY 22 HN GLY 22 -7.620 -0.621 5.087 169 1HA GLY 22 HA2 GLY 22 -9.434 -2.177 5.736 170 2HA GLY 22 HA1 GLY 22 -10.474 -0.772 5.962 171 H LYS 23 HN LYS 23 -8.416 -0.590 3.227 172 HA LYS 23 HA LYS 23 -10.559 -1.644 1.428 173 1HB LYS 23 HB2 LYS 23 -10.794 0.825 1.875 174 2HB LYS 23 HB1 LYS 23 -9.194 1.053 1.169 175 1HG LYS 23 HG2 LYS 23 -9.911 0.371 -0.976 176 2HG LYS 23 HG1 LYS 23 -11.370 -0.390 -0.341 177 1HD LYS 23 HD2 LYS 23 -12.497 1.522 -0.697 178 2HD LYS 23 HD1 LYS 23 -11.442 2.335 0.460 179 1HE LYS 23 HE2 LYS 23 -10.265 3.379 -1.188 180 2HE LYS 23 HE1 LYS 23 -10.199 1.911 -2.184 181 1HZ LYS 23 HZ1 LYS 23 -12.740 2.335 -2.391 182 2HZ LYS 23 HZ2 LYS 23 -11.662 3.198 -3.382 183 3HZ LYS 23 HZ3 LYS 23 -12.329 3.933 -2.003 184 H ALA 24 HN ALA 24 -9.559 -3.074 0.079 185 HA ALA 24 HA ALA 24 -6.689 -3.199 -0.259 186 1HB ALA 24 HB1 ALA 24 -9.119 -4.638 -1.017 187 2HB ALA 24 HB2 ALA 24 -7.503 -5.270 -0.696 188 3HB ALA 24 HB3 ALA 24 -7.910 -4.659 -2.300 189 H ALA 25 HN ALA 25 -6.738 -0.734 -0.949 190 HA ALA 25 HA ALA 25 -6.720 -0.676 -3.939 191 1HB ALA 25 HB1 ALA 25 -7.649 1.738 -2.460 192 2HB ALA 25 HB2 ALA 25 -8.753 0.362 -2.489 193 3HB ALA 25 HB3 ALA 25 -8.204 1.085 -4.002 194 H GLY 26 HN GLY 26 -4.329 -0.989 -3.086 195 1HA GLY 26 HA2 GLY 26 -3.097 1.700 -3.079 196 2HA GLY 26 HA1 GLY 26 -2.707 0.648 -1.717 197 H LYS 27 HN LYS 27 -0.619 1.424 -3.289 198 HA LYS 27 HA LYS 27 0.116 -1.137 -4.635 199 1HB LYS 27 HB2 LYS 27 0.711 1.568 -5.848 200 2HB LYS 27 HB1 LYS 27 0.752 -0.012 -6.630 201 1HG LYS 27 HG2 LYS 27 -1.652 -0.196 -6.552 202 2HG LYS 27 HG1 LYS 27 -1.782 1.247 -5.546 203 1HD LYS 27 HD2 LYS 27 -0.672 1.206 -8.367 204 2HD LYS 27 HD1 LYS 27 -2.304 1.716 -7.935 205 1HE LYS 27 HE2 LYS 27 -1.344 3.490 -6.469 206 2HE LYS 27 HE1 LYS 27 0.283 3.007 -6.992 207 1HZ LYS 27 HZ1 LYS 27 -0.882 4.839 -8.318 208 2HZ LYS 27 HZ2 LYS 27 -1.848 3.594 -8.954 209 3HZ LYS 27 HZ3 LYS 27 -0.166 3.573 -9.190 210 H CYS 28 HN CYS 28 2.570 -1.068 -5.134 211 HA CYS 28 HA CYS 28 3.968 0.283 -2.852 212 1HB CYS 28 HB2 CYS 28 4.130 -2.082 -2.670 213 2HB CYS 28 HB1 CYS 28 4.362 -2.281 -4.405 214 H MET 29 HN MET 29 5.547 1.777 -3.377 215 HA MET 29 HA MET 29 6.805 1.694 -6.066 216 1HB MET 29 HB2 MET 29 4.559 3.275 -5.433 217 2HB MET 29 HB1 MET 29 5.931 4.385 -5.423 218 1HG MET 29 HG2 MET 29 5.775 2.419 -7.662 219 2HG MET 29 HG1 MET 29 4.639 3.767 -7.686 220 1HE MET 29 HE1 MET 29 6.420 3.520 -10.025 221 2HE MET 29 HE2 MET 29 7.650 2.613 -9.149 222 3HE MET 29 HE3 MET 29 8.082 4.121 -9.950 223 H ASN 30 HN ASN 30 8.932 2.311 -5.906 224 HA ASN 30 HA ASN 30 10.926 3.177 -4.984 225 1HB ASN 30 HB2 ASN 30 8.710 4.983 -4.276 226 2HB ASN 30 HB1 ASN 30 10.105 5.116 -3.204 227 1HD2 ASN 30 HD21 ASN 30 12.318 5.125 -4.543 228 2HD2 ASN 30 HD22 ASN 30 12.318 6.121 -5.919 229 H GLY 31 HN GLY 31 8.940 1.211 -3.422 230 1HA GLY 31 HA2 GLY 31 9.558 -0.197 -1.583 231 2HA GLY 31 HA1 GLY 31 10.729 1.021 -1.076 232 H LYS 32 HN LYS 32 7.428 1.887 -1.865 233 HA LYS 32 HA LYS 32 6.773 2.108 1.045 234 1HB LYS 32 HB2 LYS 32 6.270 4.329 -0.945 235 2HB LYS 32 HB1 LYS 32 6.274 4.424 0.817 236 1HG LYS 32 HG2 LYS 32 8.752 3.740 0.678 237 2HG LYS 32 HG1 LYS 32 8.638 4.118 -1.041 238 1HD LYS 32 HD2 LYS 32 9.128 6.243 -0.425 239 2HD LYS 32 HD1 LYS 32 7.455 6.321 0.128 240 1HE LYS 32 HE2 LYS 32 8.848 7.023 1.982 241 2HE LYS 32 HE1 LYS 32 8.285 5.383 2.362 242 1HZ LYS 32 HZ1 LYS 32 10.293 4.452 1.614 243 2HZ LYS 32 HZ2 LYS 32 10.759 5.776 2.571 244 3HZ LYS 32 HZ3 LYS 32 10.797 5.895 0.877 245 H CYS 33 HN CYS 33 4.365 2.611 1.315 246 HA CYS 33 HA CYS 33 2.824 1.207 -0.836 247 1HB CYS 33 HB2 CYS 33 3.082 0.632 1.804 248 2HB CYS 33 HB1 CYS 33 1.672 1.691 1.860 249 H LYS 34 HN LYS 34 1.654 2.580 -2.103 250 HA LYS 34 HA LYS 34 0.720 5.169 -0.913 251 1HB LYS 34 HB2 LYS 34 1.147 4.317 -3.796 252 2HB LYS 34 HB1 LYS 34 0.768 5.947 -3.243 253 1HG LYS 34 HG2 LYS 34 2.868 6.212 -2.197 254 2HG LYS 34 HG1 LYS 34 3.187 4.477 -2.206 255 1HD LYS 34 HD2 LYS 34 4.519 5.565 -3.948 256 2HD LYS 34 HD1 LYS 34 3.294 4.538 -4.692 257 1HE LYS 34 HE2 LYS 34 1.885 6.843 -4.540 258 2HE LYS 34 HE1 LYS 34 3.524 7.505 -4.703 259 1HZ LYS 34 HZ1 LYS 34 3.786 5.705 -6.495 260 2HZ LYS 34 HZ2 LYS 34 2.906 7.104 -6.890 261 3HZ LYS 34 HZ3 LYS 34 2.091 5.662 -6.511 262 H CYS 35 HN CYS 35 -1.360 4.711 -0.160 263 HA CYS 35 HA CYS 35 -3.209 3.159 -1.907 264 1HB CYS 35 HB2 CYS 35 -3.281 4.144 0.958 265 2HB CYS 35 HB1 CYS 35 -4.629 3.300 0.195 266 H TYR 36 HN TYR 36 -5.463 4.072 -2.120 267 HA TYR 36 HA TYR 36 -5.643 7.037 -1.930 268 1HB TYR 36 HB2 TYR 36 -5.506 5.334 -4.392 269 2HB TYR 36 HB1 TYR 36 -6.546 6.758 -4.422 270 HD1 TYR 36 HD1 TYR 36 -5.584 9.021 -3.977 271 HD2 TYR 36 HD2 TYR 36 -3.113 5.535 -4.404 272 HE1 TYR 36 HE1 TYR 36 -3.604 10.469 -4.333 273 HE2 TYR 36 HE2 TYR 36 -1.131 6.983 -4.759 274 HH TYR 36 HH TYR 36 -1.298 10.461 -4.321 275 HA PRO 37 HA PRO 37 -9.541 5.005 -0.605 276 1HB PRO 37 HB2 PRO 37 -10.194 7.533 0.603 277 2HB PRO 37 HB1 PRO 37 -9.735 6.029 1.408 278 1HG PRO 37 HG2 PRO 37 -8.178 8.429 1.130 279 2HG PRO 37 HG1 PRO 37 -7.734 6.931 1.953 280 1HD PRO 37 HD2 PRO 37 -6.696 7.945 -0.533 281 2HD PRO 37 HD1 PRO 37 -6.283 6.412 0.273 Start of MODEL 28 1 1H VAL 1 HT1 VAL 1 -2.622 8.194 0.786 2 2H VAL 1 HT2 VAL 1 -1.384 9.353 0.679 3 3H VAL 1 HT3 VAL 1 -2.815 9.710 1.521 4 HA VAL 1 HA VAL 1 -0.780 9.117 2.918 5 HB VAL 1 HB VAL 1 -2.964 9.322 3.857 6 1HG1 VAL 1 HG11 VAL 1 -4.708 7.614 3.535 7 2HG1 VAL 1 HG12 VAL 1 -3.609 6.669 2.532 8 3HG1 VAL 1 HG13 VAL 1 -4.170 8.248 1.980 9 1HG2 VAL 1 HG21 VAL 1 -1.861 6.547 4.393 10 2HG2 VAL 1 HG22 VAL 1 -3.111 7.316 5.371 11 3HG2 VAL 1 HG23 VAL 1 -1.497 8.022 5.290 12 H PHE 2 HN PHE 2 0.935 7.794 2.341 13 HA PHE 2 HA PHE 2 0.372 4.968 1.552 14 1HB PHE 2 HB2 PHE 2 3.008 6.458 1.543 15 2HB PHE 2 HB1 PHE 2 2.556 5.055 0.578 16 HD1 PHE 2 HD1 PHE 2 -0.336 6.204 0.061 17 HD2 PHE 2 HD2 PHE 2 3.632 7.762 -0.449 18 HE1 PHE 2 HE1 PHE 2 -1.158 7.698 -1.733 19 HE2 PHE 2 HE2 PHE 2 2.813 9.260 -2.246 20 HZ PHE 2 HZ PHE 2 0.417 9.230 -2.892 21 H ILE 3 HN ILE 3 2.019 3.355 2.485 22 HA ILE 3 HA ILE 3 2.275 3.846 5.416 23 HB ILE 3 HB ILE 3 2.852 1.246 4.014 24 1HG1 ILE 3 HG12 ILE 3 0.668 2.245 3.113 25 2HG1 ILE 3 HG11 ILE 3 0.527 0.670 3.888 26 1HG2 ILE 3 HG21 ILE 3 2.317 2.210 6.713 27 2HG2 ILE 3 HG22 ILE 3 3.029 0.685 6.190 28 3HG2 ILE 3 HG23 ILE 3 1.275 0.855 6.279 29 1HD1 ILE 3 HD11 ILE 3 0.159 3.189 5.492 30 2HD1 ILE 3 HD12 ILE 3 -0.439 1.565 5.830 31 3HD1 ILE 3 HD13 ILE 3 -1.174 2.527 4.546 32 H ASN 4 HN ASN 4 4.343 3.035 6.423 33 HA ASN 4 HA ASN 4 6.671 3.617 4.628 34 1HB ASN 4 HB2 ASN 4 7.739 4.489 6.590 35 2HB ASN 4 HB1 ASN 4 6.085 5.099 6.636 36 1HD2 ASN 4 HD21 ASN 4 8.373 3.790 8.629 37 2HD2 ASN 4 HD22 ASN 4 7.369 3.011 9.754 38 H ALA 5 HN ALA 5 5.508 1.025 4.652 39 HA ALA 5 HA ALA 5 7.223 -0.639 6.419 40 1HB ALA 5 HB1 ALA 5 5.653 -2.312 4.909 41 2HB ALA 5 HB2 ALA 5 4.682 -0.840 4.924 42 3HB ALA 5 HB3 ALA 5 5.152 -1.603 6.444 43 H LYS 6 HN LYS 6 7.961 0.898 3.732 44 HA LYS 6 HA LYS 6 9.262 0.427 1.800 45 1HB LYS 6 HB2 LYS 6 10.216 -1.254 4.092 46 2HB LYS 6 HB1 LYS 6 10.955 -1.502 2.509 47 1HG LYS 6 HG2 LYS 6 10.656 1.256 3.697 48 2HG LYS 6 HG1 LYS 6 12.056 0.242 4.052 49 1HD LYS 6 HD2 LYS 6 12.324 -0.022 1.520 50 2HD LYS 6 HD1 LYS 6 11.158 1.293 1.362 51 1HE LYS 6 HE2 LYS 6 12.635 2.879 2.175 52 2HE LYS 6 HE1 LYS 6 13.473 1.712 3.217 53 1HZ LYS 6 HZ1 LYS 6 14.516 0.722 1.364 54 2HZ LYS 6 HZ2 LYS 6 14.715 2.398 1.154 55 3HZ LYS 6 HZ3 LYS 6 13.539 1.560 0.258 56 H CYS 7 HN CYS 7 6.882 -0.591 1.250 57 HA CYS 7 HA CYS 7 6.320 -3.291 1.087 58 1HB CYS 7 HB2 CYS 7 5.154 -2.649 -1.055 59 2HB CYS 7 HB1 CYS 7 4.838 -1.545 0.285 60 H ARG 8 HN ARG 8 7.178 -5.038 0.027 61 HA ARG 8 HA ARG 8 9.569 -4.596 -1.691 62 1HB ARG 8 HB2 ARG 8 8.362 -6.865 -0.114 63 2HB ARG 8 HB1 ARG 8 9.587 -7.193 -1.340 64 1HG ARG 8 HG2 ARG 8 11.249 -6.401 -0.029 65 2HG ARG 8 HG1 ARG 8 10.325 -4.958 0.393 66 1HD ARG 8 HD2 ARG 8 8.933 -6.590 1.902 67 2HD ARG 8 HD1 ARG 8 10.355 -7.642 1.763 68 HE ARG 8 HE ARG 8 10.249 -5.237 3.328 69 1HH1 ARG 8 HH21 ARG 8 12.249 -7.561 1.891 70 2HH1 ARG 8 HH22 ARG 8 13.723 -6.688 2.147 71 1HH2 ARG 8 HH11 ARG 8 12.137 -3.839 3.330 72 2HH2 ARG 8 HH12 ARG 8 13.659 -4.578 2.961 73 H GLY 9 HN GLY 9 6.247 -5.670 -1.807 74 1HA GLY 9 HA2 GLY 9 6.568 -6.152 -4.736 75 2HA GLY 9 HA1 GLY 9 5.620 -7.264 -3.748 76 H SER 10 HN SER 10 4.846 -5.377 -5.996 77 HA SER 10 HA SER 10 3.329 -3.181 -5.025 78 1HB SER 10 HB2 SER 10 3.288 -3.043 -7.280 79 2HB SER 10 HB1 SER 10 3.695 -4.748 -7.442 80 HG SER 10 HG SER 10 1.702 -4.830 -8.160 81 HA PRO 11 HA PRO 11 -0.456 -6.223 -4.958 82 1HB PRO 11 HB2 PRO 11 0.600 -8.868 -4.545 83 2HB PRO 11 HB1 PRO 11 -0.342 -8.271 -5.914 84 1HG PRO 11 HG2 PRO 11 2.432 -8.953 -5.879 85 2HG PRO 11 HG1 PRO 11 1.501 -8.293 -7.226 86 1HD PRO 11 HD2 PRO 11 3.504 -6.967 -5.611 87 2HD PRO 11 HD1 PRO 11 2.627 -6.325 -7.020 88 H GLU 12 HN GLU 12 2.463 -6.530 -3.074 89 HA GLU 12 HA GLU 12 1.288 -7.699 -0.701 90 1HB GLU 12 HB2 GLU 12 3.812 -6.869 -1.674 91 2HB GLU 12 HB1 GLU 12 3.537 -5.958 -0.189 92 1HG GLU 12 HG2 GLU 12 2.661 -8.451 0.537 93 2HG GLU 12 HG1 GLU 12 3.983 -8.849 -0.562 94 H CYS 13 HN CYS 13 1.627 -4.397 -1.924 95 HA CYS 13 HA CYS 13 0.945 -3.036 0.514 96 1HB CYS 13 HB2 CYS 13 1.946 -2.252 -1.793 97 2HB CYS 13 HB1 CYS 13 0.253 -2.033 -2.239 98 H LEU 14 HN LEU 14 -0.977 -4.568 -2.019 99 HA LEU 14 HA LEU 14 -3.505 -3.428 -1.601 100 1HB LEU 14 HB2 LEU 14 -2.333 -5.824 -2.713 101 2HB LEU 14 HB1 LEU 14 -3.848 -6.220 -1.900 102 HG LEU 14 HG LEU 14 -4.634 -3.988 -3.175 103 1HD1 LEU 14 HD11 LEU 14 -2.975 -3.301 -4.564 104 2HD1 LEU 14 HD12 LEU 14 -3.472 -4.655 -5.579 105 3HD1 LEU 14 HD13 LEU 14 -2.125 -4.842 -4.456 106 1HD2 LEU 14 HD21 LEU 14 -6.007 -5.507 -4.121 107 2HD2 LEU 14 HD22 LEU 14 -4.971 -6.777 -3.469 108 3HD2 LEU 14 HD23 LEU 14 -4.686 -6.154 -5.095 109 HA PRO 15 HA PRO 15 -4.298 -6.668 1.957 110 1HB PRO 15 HB2 PRO 15 -1.693 -7.446 2.911 111 2HB PRO 15 HB1 PRO 15 -2.950 -8.479 2.222 112 1HG PRO 15 HG2 PRO 15 -0.468 -7.625 1.009 113 2HG PRO 15 HG1 PRO 15 -1.672 -8.749 0.373 114 1HD PRO 15 HD2 PRO 15 -1.127 -6.120 -0.574 115 2HD PRO 15 HD1 PRO 15 -2.470 -7.175 -1.070 116 H LYS 16 HN LYS 16 -1.177 -4.905 2.085 117 HA LYS 16 HA LYS 16 -1.350 -3.984 4.774 118 1HB LYS 16 HB2 LYS 16 -0.080 -3.023 2.211 119 2HB LYS 16 HB1 LYS 16 0.063 -2.061 3.683 120 1HG LYS 16 HG2 LYS 16 0.728 -5.004 3.661 121 2HG LYS 16 HG1 LYS 16 1.926 -3.788 3.214 122 1HD LYS 16 HD2 LYS 16 1.427 -2.632 5.413 123 2HD LYS 16 HD1 LYS 16 0.468 -4.044 5.857 124 1HE LYS 16 HE2 LYS 16 2.335 -5.205 6.408 125 2HE LYS 16 HE1 LYS 16 3.080 -4.840 4.839 126 1HZ LYS 16 HZ1 LYS 16 3.043 -3.154 7.275 127 2HZ LYS 16 HZ2 LYS 16 3.412 -2.522 5.742 128 3HZ LYS 16 HZ3 LYS 16 4.394 -3.729 6.426 129 H CYS 17 HN CYS 17 -2.808 -2.826 1.777 130 HA CYS 17 HA CYS 17 -3.789 -0.302 2.775 131 1HB CYS 17 HB2 CYS 17 -3.542 -1.527 0.367 132 2HB CYS 17 HB1 CYS 17 -5.258 -1.807 0.667 133 H LYS 18 HN LYS 18 -5.162 -3.582 2.580 134 HA LYS 18 HA LYS 18 -7.797 -2.887 3.531 135 1HB LYS 18 HB2 LYS 18 -6.909 -4.960 2.270 136 2HB LYS 18 HB1 LYS 18 -6.376 -5.537 3.850 137 1HG LYS 18 HG2 LYS 18 -8.777 -5.108 4.642 138 2HG LYS 18 HG1 LYS 18 -9.196 -4.954 2.936 139 1HD LYS 18 HD2 LYS 18 -9.118 -7.188 2.626 140 2HD LYS 18 HD1 LYS 18 -7.552 -7.309 3.430 141 1HE LYS 18 HE2 LYS 18 -9.823 -6.761 5.250 142 2HE LYS 18 HE1 LYS 18 -9.850 -8.355 4.470 143 1HZ LYS 18 HZ1 LYS 18 -7.252 -7.435 5.385 144 2HZ LYS 18 HZ2 LYS 18 -7.944 -8.985 5.462 145 3HZ LYS 18 HZ3 LYS 18 -8.361 -7.808 6.613 146 H GLU 19 HN GLU 19 -4.735 -3.376 5.108 147 HA GLU 19 HA GLU 19 -6.058 -3.657 7.773 148 1HB GLU 19 HB2 GLU 19 -4.094 -5.093 6.688 149 2HB GLU 19 HB1 GLU 19 -3.101 -3.776 7.313 150 1HG GLU 19 HG2 GLU 19 -3.924 -4.133 9.560 151 2HG GLU 19 HG1 GLU 19 -5.105 -5.311 8.988 152 H ALA 20 HN ALA 20 -4.625 -1.315 5.747 153 HA ALA 20 HA ALA 20 -3.894 0.416 8.081 154 1HB ALA 20 HB1 ALA 20 -3.218 0.872 5.172 155 2HB ALA 20 HB2 ALA 20 -2.279 -0.247 6.160 156 3HB ALA 20 HB3 ALA 20 -2.363 1.459 6.600 157 H ILE 21 HN ILE 21 -5.365 0.674 4.815 158 HA ILE 21 HA ILE 21 -6.940 3.023 5.791 159 HB ILE 21 HB ILE 21 -5.460 3.248 3.802 160 1HG1 ILE 21 HG12 ILE 21 -8.413 3.323 3.102 161 2HG1 ILE 21 HG11 ILE 21 -7.561 4.580 4.000 162 1HG2 ILE 21 HG21 ILE 21 -6.347 2.050 1.700 163 2HG2 ILE 21 HG22 ILE 21 -7.213 0.995 2.817 164 3HG2 ILE 21 HG23 ILE 21 -5.452 1.071 2.862 165 1HD1 ILE 21 HD11 ILE 21 -6.163 5.101 2.129 166 2HD1 ILE 21 HD12 ILE 21 -7.806 4.997 1.496 167 3HD1 ILE 21 HD13 ILE 21 -6.682 3.659 1.256 168 H GLY 22 HN GLY 22 -7.214 -0.300 5.031 169 1HA GLY 22 HA2 GLY 22 -9.084 -1.719 5.011 170 2HA GLY 22 HA1 GLY 22 -10.030 -0.361 5.618 171 H LYS 23 HN LYS 23 -8.196 -0.580 2.572 172 HA LYS 23 HA LYS 23 -10.794 -0.435 1.089 173 1HB LYS 23 HB2 LYS 23 -9.826 1.816 1.396 174 2HB LYS 23 HB1 LYS 23 -8.307 1.262 0.692 175 1HG LYS 23 HG2 LYS 23 -9.879 2.497 -0.897 176 2HG LYS 23 HG1 LYS 23 -9.312 0.920 -1.450 177 1HD LYS 23 HD2 LYS 23 -11.374 -0.112 -1.046 178 2HD LYS 23 HD1 LYS 23 -11.878 1.124 0.107 179 1HE LYS 23 HE2 LYS 23 -11.682 2.709 -2.033 180 2HE LYS 23 HE1 LYS 23 -11.971 1.179 -2.885 181 1HZ LYS 23 HZ1 LYS 23 -14.075 2.174 -2.299 182 2HZ LYS 23 HZ2 LYS 23 -13.609 2.300 -0.670 183 3HZ LYS 23 HZ3 LYS 23 -13.846 0.771 -1.374 184 H ALA 24 HN ALA 24 -7.985 -2.112 1.550 185 HA ALA 24 HA ALA 24 -6.642 -3.519 0.180 186 1HB ALA 24 HB1 ALA 24 -8.476 -4.947 0.365 187 2HB ALA 24 HB2 ALA 24 -8.361 -4.783 -1.388 188 3HB ALA 24 HB3 ALA 24 -9.550 -3.839 -0.490 189 H ALA 25 HN ALA 25 -6.421 -0.894 -0.788 190 HA ALA 25 HA ALA 25 -6.136 -1.408 -3.706 191 1HB ALA 25 HB1 ALA 25 -8.372 -0.278 -2.975 192 2HB ALA 25 HB2 ALA 25 -7.468 0.447 -4.305 193 3HB ALA 25 HB3 ALA 25 -7.373 1.147 -2.689 194 H GLY 26 HN GLY 26 -3.831 -1.393 -3.203 195 1HA GLY 26 HA2 GLY 26 -2.720 1.334 -3.131 196 2HA GLY 26 HA1 GLY 26 -2.253 0.291 -1.786 197 H LYS 27 HN LYS 27 -0.173 1.078 -3.249 198 HA LYS 27 HA LYS 27 0.599 -1.393 -4.724 199 1HB LYS 27 HB2 LYS 27 0.876 1.439 -5.784 200 2HB LYS 27 HB1 LYS 27 1.390 -0.030 -6.612 201 1HG LYS 27 HG2 LYS 27 -1.073 -0.794 -6.342 202 2HG LYS 27 HG1 LYS 27 -1.412 0.905 -6.016 203 1HD LYS 27 HD2 LYS 27 0.307 0.508 -8.359 204 2HD LYS 27 HD1 LYS 27 -1.282 -0.238 -8.530 205 1HE LYS 27 HE2 LYS 27 -2.161 1.802 -8.958 206 2HE LYS 27 HE1 LYS 27 -1.661 2.337 -7.340 207 1HZ LYS 27 HZ1 LYS 27 0.379 2.087 -9.431 208 2HZ LYS 27 HZ2 LYS 27 0.316 3.148 -8.105 209 3HZ LYS 27 HZ3 LYS 27 -0.645 3.438 -9.476 210 H CYS 28 HN CYS 28 3.088 -0.664 -5.570 211 HA CYS 28 HA CYS 28 4.469 0.308 -3.089 212 1HB CYS 28 HB2 CYS 28 4.520 -2.175 -3.514 213 2HB CYS 28 HB1 CYS 28 5.363 -1.849 -5.030 214 H MET 29 HN MET 29 5.152 2.348 -3.734 215 HA MET 29 HA MET 29 6.733 2.501 -6.281 216 1HB MET 29 HB2 MET 29 4.299 3.616 -5.881 217 2HB MET 29 HB1 MET 29 5.319 4.903 -5.239 218 1HG MET 29 HG2 MET 29 5.278 5.506 -7.475 219 2HG MET 29 HG1 MET 29 6.699 4.462 -7.464 220 1HE MET 29 HE1 MET 29 6.155 1.412 -8.751 221 2HE MET 29 HE2 MET 29 7.154 2.827 -8.433 222 3HE MET 29 HE3 MET 29 6.480 2.579 -10.041 223 H ASN 30 HN ASN 30 8.734 3.486 -6.062 224 HA ASN 30 HA ASN 30 10.594 4.464 -4.981 225 1HB ASN 30 HB2 ASN 30 8.149 5.946 -4.316 226 2HB ASN 30 HB1 ASN 30 9.432 6.168 -3.125 227 1HD2 ASN 30 HD21 ASN 30 11.724 6.028 -4.771 228 2HD2 ASN 30 HD22 ASN 30 11.705 7.323 -5.868 229 H GLY 31 HN GLY 31 9.258 2.008 -3.796 230 1HA GLY 31 HA2 GLY 31 9.687 0.649 -1.926 231 2HA GLY 31 HA1 GLY 31 10.827 1.878 -1.375 232 H LYS 32 HN LYS 32 7.388 2.382 -2.054 233 HA LYS 32 HA LYS 32 6.879 2.695 0.876 234 1HB LYS 32 HB2 LYS 32 6.420 4.684 -1.364 235 2HB LYS 32 HB1 LYS 32 5.664 4.840 0.221 236 1HG LYS 32 HG2 LYS 32 8.499 4.315 0.503 237 2HG LYS 32 HG1 LYS 32 8.230 5.729 -0.517 238 1HD LYS 32 HD2 LYS 32 6.386 5.980 1.591 239 2HD LYS 32 HD1 LYS 32 7.893 5.461 2.349 240 1HE LYS 32 HE2 LYS 32 8.405 7.700 2.258 241 2HE LYS 32 HE1 LYS 32 8.811 7.341 0.567 242 1HZ LYS 32 HZ1 LYS 32 6.124 8.133 1.564 243 2HZ LYS 32 HZ2 LYS 32 6.523 7.787 -0.050 244 3HZ LYS 32 HZ3 LYS 32 7.192 9.146 0.720 245 H CYS 33 HN CYS 33 4.655 2.361 1.444 246 HA CYS 33 HA CYS 33 3.126 0.786 -0.547 247 1HB CYS 33 HB2 CYS 33 3.653 0.562 2.124 248 2HB CYS 33 HB1 CYS 33 2.060 1.310 2.165 249 H LYS 34 HN LYS 34 2.017 2.170 -1.943 250 HA LYS 34 HA LYS 34 0.729 4.615 -0.897 251 1HB LYS 34 HB2 LYS 34 1.398 3.370 -3.522 252 2HB LYS 34 HB1 LYS 34 0.035 4.488 -3.494 253 1HG LYS 34 HG2 LYS 34 1.366 6.289 -2.768 254 2HG LYS 34 HG1 LYS 34 2.658 5.226 -2.208 255 1HD LYS 34 HD2 LYS 34 3.658 5.676 -4.191 256 2HD LYS 34 HD1 LYS 34 2.467 4.576 -4.886 257 1HE LYS 34 HE2 LYS 34 0.938 6.467 -5.304 258 2HE LYS 34 HE1 LYS 34 2.121 7.583 -4.595 259 1HZ LYS 34 HZ1 LYS 34 2.404 7.480 -6.990 260 2HZ LYS 34 HZ2 LYS 34 2.586 5.790 -6.922 261 3HZ LYS 34 HZ3 LYS 34 3.754 6.803 -6.216 262 H CYS 35 HN CYS 35 -1.584 5.003 -1.263 263 HA CYS 35 HA CYS 35 -3.313 2.677 -1.842 264 1HB CYS 35 HB2 CYS 35 -2.724 3.806 0.853 265 2HB CYS 35 HB1 CYS 35 -4.403 3.375 0.524 266 H TYR 36 HN TYR 36 -5.535 3.341 -2.186 267 HA TYR 36 HA TYR 36 -5.820 6.274 -2.692 268 1HB TYR 36 HB2 TYR 36 -6.903 3.724 -3.837 269 2HB TYR 36 HB1 TYR 36 -7.882 5.184 -3.985 270 HD1 TYR 36 HD1 TYR 36 -4.583 3.675 -4.781 271 HD2 TYR 36 HD2 TYR 36 -7.261 6.963 -5.465 272 HE1 TYR 36 HE1 TYR 36 -3.165 4.438 -6.667 273 HE2 TYR 36 HE2 TYR 36 -5.843 7.725 -7.351 274 HH TYR 36 HH TYR 36 -3.734 7.505 -8.272 275 HA PRO 37 HA PRO 37 -8.723 6.754 0.590 276 1HB PRO 37 HB2 PRO 37 -10.501 8.380 -0.980 277 2HB PRO 37 HB1 PRO 37 -9.298 8.910 0.201 278 1HG PRO 37 HG2 PRO 37 -9.194 9.163 -2.660 279 2HG PRO 37 HG1 PRO 37 -8.004 9.709 -1.474 280 1HD PRO 37 HD2 PRO 37 -7.769 7.508 -3.318 281 2HD PRO 37 HD1 PRO 37 -6.587 8.033 -2.093 Start of MODEL 29 1 1H VAL 1 HT1 VAL 1 -4.999 6.346 2.214 2 2H VAL 1 HT2 VAL 1 -4.456 6.321 3.823 3 3H VAL 1 HT3 VAL 1 -3.773 5.272 2.676 4 HA VAL 1 HA VAL 1 -3.464 7.842 1.650 5 HB VAL 1 HB VAL 1 -2.341 8.939 3.547 6 1HG1 VAL 1 HG11 VAL 1 -4.955 8.887 3.172 7 2HG1 VAL 1 HG12 VAL 1 -4.287 9.621 4.629 8 3HG1 VAL 1 HG13 VAL 1 -4.948 7.988 4.690 9 1HG2 VAL 1 HG21 VAL 1 -2.651 6.238 4.684 10 2HG2 VAL 1 HG22 VAL 1 -3.078 7.535 5.801 11 3HG2 VAL 1 HG23 VAL 1 -1.472 7.491 5.072 12 H PHE 2 HN PHE 2 -0.804 8.275 2.424 13 HA PHE 2 HA PHE 2 0.511 5.921 1.202 14 1HB PHE 2 HB2 PHE 2 1.174 8.788 1.826 15 2HB PHE 2 HB1 PHE 2 2.473 7.661 1.439 16 HD1 PHE 2 HD1 PHE 2 -1.030 7.869 0.117 17 HD2 PHE 2 HD2 PHE 2 3.169 8.180 -0.743 18 HE1 PHE 2 HE1 PHE 2 -1.540 8.104 -2.298 19 HE2 PHE 2 HE2 PHE 2 2.655 8.415 -3.157 20 HZ PHE 2 HZ PHE 2 0.302 8.377 -3.935 21 H ILE 3 HN ILE 3 2.499 5.028 2.218 22 HA ILE 3 HA ILE 3 2.788 5.531 5.141 23 HB ILE 3 HB ILE 3 2.556 2.726 4.052 24 1HG1 ILE 3 HG12 ILE 3 0.301 4.499 5.051 25 2HG1 ILE 3 HG11 ILE 3 0.477 3.872 3.411 26 1HG2 ILE 3 HG21 ILE 3 1.602 2.611 6.537 27 2HG2 ILE 3 HG22 ILE 3 2.553 4.085 6.716 28 3HG2 ILE 3 HG23 ILE 3 3.336 2.584 6.223 29 1HD1 ILE 3 HD11 ILE 3 0.272 1.580 4.225 30 2HD1 ILE 3 HD12 ILE 3 -1.111 2.522 4.782 31 3HD1 ILE 3 HD13 ILE 3 0.208 2.150 5.893 32 H ASN 4 HN ASN 4 4.764 4.311 5.979 33 HA ASN 4 HA ASN 4 6.934 4.454 3.941 34 1HB ASN 4 HB2 ASN 4 8.346 4.505 6.032 35 2HB ASN 4 HB1 ASN 4 7.170 5.817 5.939 36 1HD2 ASN 4 HD21 ASN 4 6.963 6.030 8.272 37 2HD2 ASN 4 HD22 ASN 4 6.213 4.834 9.215 38 H ALA 5 HN ALA 5 4.971 2.105 4.515 39 HA ALA 5 HA ALA 5 6.447 -0.048 5.698 40 1HB ALA 5 HB1 ALA 5 4.282 -0.017 3.567 41 2HB ALA 5 HB2 ALA 5 4.005 0.002 5.309 42 3HB ALA 5 HB3 ALA 5 4.728 -1.415 4.546 43 H LYS 6 HN LYS 6 8.235 -1.078 4.884 44 HA LYS 6 HA LYS 6 9.349 -0.447 2.303 45 1HB LYS 6 HB2 LYS 6 10.966 -2.195 2.942 46 2HB LYS 6 HB1 LYS 6 10.628 -1.126 4.303 47 1HG LYS 6 HG2 LYS 6 8.676 -3.058 4.570 48 2HG LYS 6 HG1 LYS 6 10.057 -3.990 3.989 49 1HD LYS 6 HD2 LYS 6 10.347 -1.994 6.233 50 2HD LYS 6 HD1 LYS 6 9.844 -3.656 6.543 51 1HE LYS 6 HE2 LYS 6 11.971 -4.179 4.984 52 2HE LYS 6 HE1 LYS 6 12.498 -2.621 5.653 53 1HZ LYS 6 HZ1 LYS 6 11.680 -5.058 7.122 54 2HZ LYS 6 HZ2 LYS 6 11.713 -3.532 7.867 55 3HZ LYS 6 HZ3 LYS 6 13.142 -4.206 7.242 56 H CYS 7 HN CYS 7 7.329 -0.995 1.022 57 HA CYS 7 HA CYS 7 6.161 -3.529 0.737 58 1HB CYS 7 HB2 CYS 7 5.880 -2.738 -1.700 59 2HB CYS 7 HB1 CYS 7 5.277 -1.654 -0.447 60 H ARG 8 HN ARG 8 6.569 -4.813 -1.518 61 HA ARG 8 HA ARG 8 9.518 -5.329 -1.729 62 1HB ARG 8 HB2 ARG 8 7.234 -7.043 -0.973 63 2HB ARG 8 HB1 ARG 8 8.329 -7.765 -2.153 64 1HG ARG 8 HG2 ARG 8 10.248 -7.203 -0.660 65 2HG ARG 8 HG1 ARG 8 9.102 -6.606 0.540 66 1HD ARG 8 HD2 ARG 8 8.092 -8.815 0.755 67 2HD ARG 8 HD1 ARG 8 9.112 -9.440 -0.558 68 HE ARG 8 HE ARG 8 10.849 -9.618 1.025 69 1HH1 ARG 8 HH11 ARG 8 8.419 -8.790 2.959 70 2HH1 ARG 8 HH12 ARG 8 9.283 -7.694 3.986 71 1HH2 ARG 8 HH21 ARG 8 12.053 -7.510 1.910 72 2HH2 ARG 8 HH22 ARG 8 11.338 -6.970 3.393 73 H GLY 9 HN GLY 9 6.326 -5.553 -3.292 74 1HA GLY 9 HA2 GLY 9 7.665 -5.182 -5.908 75 2HA GLY 9 HA1 GLY 9 6.651 -6.614 -5.722 76 H SER 10 HN SER 10 4.471 -5.751 -4.373 77 HA SER 10 HA SER 10 3.334 -3.247 -4.932 78 1HB SER 10 HB2 SER 10 3.290 -3.243 -7.193 79 2HB SER 10 HB1 SER 10 3.765 -4.937 -7.264 80 HG SER 10 HG SER 10 1.230 -3.765 -7.247 81 HA PRO 11 HA PRO 11 -0.301 -6.483 -4.768 82 1HB PRO 11 HB2 PRO 11 0.901 -9.029 -4.174 83 2HB PRO 11 HB1 PRO 11 -0.066 -8.577 -5.582 84 1HG PRO 11 HG2 PRO 11 2.768 -9.050 -5.458 85 2HG PRO 11 HG1 PRO 11 1.794 -8.631 -6.870 86 1HD PRO 11 HD2 PRO 11 3.688 -6.975 -5.502 87 2HD PRO 11 HD1 PRO 11 2.649 -6.519 -6.871 88 H GLU 12 HN GLU 12 2.625 -7.115 -2.818 89 HA GLU 12 HA GLU 12 1.359 -7.921 -0.407 90 1HB GLU 12 HB2 GLU 12 3.492 -7.499 0.553 91 2HB GLU 12 HB1 GLU 12 3.836 -7.868 -1.137 92 1HG GLU 12 HG2 GLU 12 3.496 -5.056 -0.058 93 2HG GLU 12 HG1 GLU 12 5.057 -5.846 -0.278 94 H CYS 13 HN CYS 13 1.721 -4.731 -1.841 95 HA CYS 13 HA CYS 13 1.187 -3.169 0.519 96 1HB CYS 13 HB2 CYS 13 1.515 -2.855 -2.358 97 2HB CYS 13 HB1 CYS 13 0.263 -1.781 -1.735 98 H LEU 14 HN LEU 14 -0.930 -4.613 -1.963 99 HA LEU 14 HA LEU 14 -3.369 -3.375 -1.388 100 1HB LEU 14 HB2 LEU 14 -2.393 -5.729 -2.682 101 2HB LEU 14 HB1 LEU 14 -3.798 -6.185 -1.715 102 HG LEU 14 HG LEU 14 -4.614 -5.492 -3.875 103 1HD1 LEU 14 HD11 LEU 14 -5.265 -4.161 -1.447 104 2HD1 LEU 14 HD12 LEU 14 -6.302 -4.412 -2.851 105 3HD1 LEU 14 HD13 LEU 14 -5.317 -2.953 -2.731 106 1HD2 LEU 14 HD21 LEU 14 -2.915 -3.022 -3.405 107 2HD2 LEU 14 HD22 LEU 14 -4.101 -3.166 -4.703 108 3HD2 LEU 14 HD23 LEU 14 -2.697 -4.232 -4.669 109 HA PRO 15 HA PRO 15 -4.196 -6.650 2.117 110 1HB PRO 15 HB2 PRO 15 -1.613 -7.561 3.003 111 2HB PRO 15 HB1 PRO 15 -2.925 -8.521 2.311 112 1HG PRO 15 HG2 PRO 15 -0.428 -7.780 1.082 113 2HG PRO 15 HG1 PRO 15 -1.719 -8.783 0.414 114 1HD PRO 15 HD2 PRO 15 -0.998 -6.127 -0.376 115 2HD PRO 15 HD1 PRO 15 -2.361 -7.098 -0.976 116 H LYS 16 HN LYS 16 -1.045 -4.957 2.181 117 HA LYS 16 HA LYS 16 -1.106 -4.153 4.922 118 1HB LYS 16 HB2 LYS 16 0.089 -2.892 2.432 119 2HB LYS 16 HB1 LYS 16 0.508 -2.420 4.080 120 1HG LYS 16 HG2 LYS 16 0.739 -5.273 3.099 121 2HG LYS 16 HG1 LYS 16 2.069 -4.119 2.988 122 1HD LYS 16 HD2 LYS 16 0.628 -4.719 5.582 123 2HD LYS 16 HD1 LYS 16 2.080 -5.580 5.069 124 1HE LYS 16 HE2 LYS 16 3.194 -3.900 6.153 125 2HE LYS 16 HE1 LYS 16 2.817 -2.942 4.707 126 1HZ LYS 16 HZ1 LYS 16 1.582 -2.877 7.332 127 2HZ LYS 16 HZ2 LYS 16 0.496 -2.837 6.026 128 3HZ LYS 16 HZ3 LYS 16 1.709 -1.654 6.164 129 H CYS 17 HN CYS 17 -2.172 -2.399 1.974 130 HA CYS 17 HA CYS 17 -3.158 -0.065 3.272 131 1HB CYS 17 HB2 CYS 17 -3.938 -1.548 0.746 132 2HB CYS 17 HB1 CYS 17 -4.599 0.031 1.163 133 H LYS 18 HN LYS 18 -4.650 -3.233 2.696 134 HA LYS 18 HA LYS 18 -7.329 -2.584 3.450 135 1HB LYS 18 HB2 LYS 18 -6.307 -4.670 2.326 136 2HB LYS 18 HB1 LYS 18 -5.902 -5.202 3.958 137 1HG LYS 18 HG2 LYS 18 -7.991 -6.018 4.143 138 2HG LYS 18 HG1 LYS 18 -8.589 -4.361 4.084 139 1HD LYS 18 HD2 LYS 18 -9.534 -4.782 2.090 140 2HD LYS 18 HD1 LYS 18 -7.941 -5.129 1.418 141 1HE LYS 18 HE2 LYS 18 -8.771 -7.238 1.105 142 2HE LYS 18 HE1 LYS 18 -8.485 -7.435 2.846 143 1HZ LYS 18 HZ1 LYS 18 -10.975 -6.490 1.530 144 2HZ LYS 18 HZ2 LYS 18 -10.700 -6.392 3.204 145 3HZ LYS 18 HZ3 LYS 18 -10.773 -7.907 2.440 146 H GLU 19 HN GLU 19 -4.493 -3.560 5.365 147 HA GLU 19 HA GLU 19 -5.972 -3.714 7.880 148 1HB GLU 19 HB2 GLU 19 -3.170 -3.939 6.879 149 2HB GLU 19 HB1 GLU 19 -3.375 -3.562 8.590 150 1HG GLU 19 HG2 GLU 19 -5.235 -5.626 7.895 151 2HG GLU 19 HG1 GLU 19 -3.640 -6.097 7.310 152 H ALA 20 HN ALA 20 -4.537 -1.187 6.002 153 HA ALA 20 HA ALA 20 -4.426 0.651 8.353 154 1HB ALA 20 HB1 ALA 20 -3.462 0.890 5.482 155 2HB ALA 20 HB2 ALA 20 -2.463 0.469 6.873 156 3HB ALA 20 HB3 ALA 20 -3.169 2.080 6.752 157 H ILE 21 HN ILE 21 -5.838 0.395 5.078 158 HA ILE 21 HA ILE 21 -7.726 2.603 5.805 159 HB ILE 21 HB ILE 21 -6.033 2.649 3.810 160 1HG1 ILE 21 HG12 ILE 21 -8.952 3.202 3.213 161 2HG1 ILE 21 HG11 ILE 21 -7.957 4.232 4.246 162 1HG2 ILE 21 HG21 ILE 21 -7.212 0.282 3.157 163 2HG2 ILE 21 HG22 ILE 21 -6.415 1.333 1.987 164 3HG2 ILE 21 HG23 ILE 21 -8.166 1.398 2.181 165 1HD1 ILE 21 HD11 ILE 21 -6.301 4.127 2.172 166 2HD1 ILE 21 HD12 ILE 21 -7.631 5.283 2.207 167 3HD1 ILE 21 HD13 ILE 21 -7.789 3.784 1.291 168 H GLY 22 HN GLY 22 -7.468 -0.741 4.798 169 1HA GLY 22 HA2 GLY 22 -9.099 -2.433 4.772 170 2HA GLY 22 HA1 GLY 22 -10.199 -1.296 5.553 171 H LYS 23 HN LYS 23 -8.563 -0.812 2.442 172 HA LYS 23 HA LYS 23 -11.240 -0.984 1.102 173 1HB LYS 23 HB2 LYS 23 -10.328 1.346 1.671 174 2HB LYS 23 HB1 LYS 23 -9.070 1.029 0.475 175 1HG LYS 23 HG2 LYS 23 -10.483 1.421 -1.241 176 2HG LYS 23 HG1 LYS 23 -11.721 0.375 -0.547 177 1HD LYS 23 HD2 LYS 23 -12.221 2.278 1.083 178 2HD LYS 23 HD1 LYS 23 -11.211 3.294 0.055 179 1HE LYS 23 HE2 LYS 23 -13.395 3.641 -0.805 180 2HE LYS 23 HE1 LYS 23 -12.729 2.407 -1.892 181 1HZ LYS 23 HZ1 LYS 23 -14.521 2.019 0.435 182 2HZ LYS 23 HZ2 LYS 23 -13.616 0.741 -0.227 183 3HZ LYS 23 HZ3 LYS 23 -14.778 1.544 -1.173 184 H ALA 24 HN ALA 24 -8.119 -2.156 1.230 185 HA ALA 24 HA ALA 24 -6.764 -3.361 -0.289 186 1HB ALA 24 HB1 ALA 24 -9.154 -4.454 -0.128 187 2HB ALA 24 HB2 ALA 24 -8.030 -5.009 -1.368 188 3HB ALA 24 HB3 ALA 24 -9.318 -3.881 -1.787 189 H ALA 25 HN ALA 25 -6.445 -0.771 -0.958 190 HA ALA 25 HA ALA 25 -6.403 -0.845 -3.926 191 1HB ALA 25 HB1 ALA 25 -7.511 1.555 -2.470 192 2HB ALA 25 HB2 ALA 25 -8.559 0.212 -2.924 193 3HB ALA 25 HB3 ALA 25 -7.700 1.119 -4.167 194 H GLY 26 HN GLY 26 -4.303 -0.327 -4.419 195 1HA GLY 26 HA2 GLY 26 -2.933 1.969 -4.130 196 2HA GLY 26 HA1 GLY 26 -2.723 1.290 -2.517 197 H LYS 27 HN LYS 27 -0.447 1.687 -3.897 198 HA LYS 27 HA LYS 27 0.425 -1.096 -4.547 199 1HB LYS 27 HB2 LYS 27 1.014 1.398 -6.180 200 2HB LYS 27 HB1 LYS 27 1.575 -0.233 -6.545 201 1HG LYS 27 HG2 LYS 27 -0.297 -0.389 -7.815 202 2HG LYS 27 HG1 LYS 27 -1.139 -0.608 -6.280 203 1HD LYS 27 HD2 LYS 27 -2.293 1.274 -6.725 204 2HD LYS 27 HD1 LYS 27 -0.785 2.172 -6.549 205 1HE LYS 27 HE2 LYS 27 -0.742 0.961 -9.133 206 2HE LYS 27 HE1 LYS 27 -2.313 1.764 -8.940 207 1HZ LYS 27 HZ1 LYS 27 -1.355 3.786 -8.601 208 2HZ LYS 27 HZ2 LYS 27 -0.165 3.114 -9.612 209 3HZ LYS 27 HZ3 LYS 27 0.062 3.140 -7.928 210 H CYS 28 HN CYS 28 3.055 -0.606 -5.111 211 HA CYS 28 HA CYS 28 4.052 0.569 -2.554 212 1HB CYS 28 HB2 CYS 28 4.799 -1.634 -2.754 213 2HB CYS 28 HB1 CYS 28 4.913 -1.547 -4.508 214 H MET 29 HN MET 29 5.799 2.110 -2.622 215 HA MET 29 HA MET 29 6.118 3.469 -5.277 216 1HB MET 29 HB2 MET 29 4.955 4.585 -3.275 217 2HB MET 29 HB1 MET 29 6.548 4.638 -2.520 218 1HG MET 29 HG2 MET 29 6.971 5.599 -5.114 219 2HG MET 29 HG1 MET 29 5.451 6.338 -4.609 220 1HE MET 29 HE1 MET 29 5.759 8.884 -3.126 221 2HE MET 29 HE2 MET 29 6.040 8.357 -4.783 222 3HE MET 29 HE3 MET 29 7.265 9.309 -3.951 223 H ASN 30 HN ASN 30 7.909 1.743 -5.550 224 HA ASN 30 HA ASN 30 10.205 1.188 -5.557 225 1HB ASN 30 HB2 ASN 30 10.009 4.166 -5.173 226 2HB ASN 30 HB1 ASN 30 11.593 3.391 -5.209 227 1HD2 ASN 30 HD21 ASN 30 12.293 2.405 -7.228 228 2HD2 ASN 30 HD22 ASN 30 11.480 2.698 -8.689 229 H GLY 31 HN GLY 31 8.717 1.016 -2.940 230 1HA GLY 31 HA2 GLY 31 10.336 -0.022 -1.140 231 2HA GLY 31 HA1 GLY 31 10.914 1.640 -1.027 232 H LYS 32 HN LYS 32 8.216 2.770 -1.460 233 HA LYS 32 HA LYS 32 7.148 2.255 1.285 234 1HB LYS 32 HB2 LYS 32 6.981 4.578 -0.657 235 2HB LYS 32 HB1 LYS 32 6.109 4.533 0.877 236 1HG LYS 32 HG2 LYS 32 7.968 5.415 1.809 237 2HG LYS 32 HG1 LYS 32 8.708 3.830 1.579 238 1HD LYS 32 HD2 LYS 32 9.061 4.813 -0.898 239 2HD LYS 32 HD1 LYS 32 9.059 6.331 0.000 240 1HE LYS 32 HE2 LYS 32 10.728 5.101 1.604 241 2HE LYS 32 HE1 LYS 32 10.974 4.016 0.220 242 1HZ LYS 32 HZ1 LYS 32 12.470 5.737 -0.173 243 2HZ LYS 32 HZ2 LYS 32 11.398 6.937 0.373 244 3HZ LYS 32 HZ3 LYS 32 11.134 6.173 -1.122 245 H CYS 33 HN CYS 33 4.611 3.002 1.200 246 HA CYS 33 HA CYS 33 3.357 1.387 -1.003 247 1HB CYS 33 HB2 CYS 33 3.439 0.557 1.468 248 2HB CYS 33 HB1 CYS 33 2.214 1.790 1.760 249 H LYS 34 HN LYS 34 1.252 2.166 -1.722 250 HA LYS 34 HA LYS 34 0.581 4.954 -0.860 251 1HB LYS 34 HB2 LYS 34 0.996 3.837 -3.647 252 2HB LYS 34 HB1 LYS 34 0.224 5.393 -3.340 253 1HG LYS 34 HG2 LYS 34 2.310 5.980 -1.962 254 2HG LYS 34 HG1 LYS 34 3.060 4.567 -2.705 255 1HD LYS 34 HD2 LYS 34 1.762 6.782 -4.309 256 2HD LYS 34 HD1 LYS 34 3.482 6.757 -3.914 257 1HE LYS 34 HE2 LYS 34 3.885 5.304 -5.603 258 2HE LYS 34 HE1 LYS 34 2.662 4.183 -4.972 259 1HZ LYS 34 HZ1 LYS 34 0.947 5.663 -5.923 260 2HZ LYS 34 HZ2 LYS 34 1.943 4.965 -7.109 261 3HZ LYS 34 HZ3 LYS 34 2.171 6.585 -6.651 262 H CYS 35 HN CYS 35 -1.259 4.022 0.288 263 HA CYS 35 HA CYS 35 -3.231 2.407 -1.160 264 1HB CYS 35 HB2 CYS 35 -3.503 3.876 1.474 265 2HB CYS 35 HB1 CYS 35 -4.376 2.435 0.957 266 H TYR 36 HN TYR 36 -5.127 3.175 -2.110 267 HA TYR 36 HA TYR 36 -5.289 6.036 -2.695 268 1HB TYR 36 HB2 TYR 36 -6.613 3.484 -3.478 269 2HB TYR 36 HB1 TYR 36 -7.533 4.967 -3.735 270 HD1 TYR 36 HD1 TYR 36 -7.443 5.180 -6.106 271 HD2 TYR 36 HD2 TYR 36 -3.834 4.578 -3.856 272 HE1 TYR 36 HE1 TYR 36 -6.099 5.661 -8.133 273 HE2 TYR 36 HE2 TYR 36 -2.490 5.061 -5.884 274 HH TYR 36 HH TYR 36 -3.062 4.836 -8.563 275 HA PRO 37 HA PRO 37 -7.923 7.131 0.711 276 1HB PRO 37 HB2 PRO 37 -9.201 9.178 -0.851 277 2HB PRO 37 HB1 PRO 37 -7.929 9.371 0.359 278 1HG PRO 37 HG2 PRO 37 -7.703 9.650 -2.487 279 2HG PRO 37 HG1 PRO 37 -6.432 9.831 -1.275 280 1HD PRO 37 HD2 PRO 37 -6.774 7.685 -3.175 281 2HD PRO 37 HD1 PRO 37 -5.491 7.870 -1.952 Start of MODEL 30 1 1H VAL 1 HT1 VAL 1 -4.508 8.720 0.138 2 2H VAL 1 HT2 VAL 1 -3.055 9.599 0.181 3 3H VAL 1 HT3 VAL 1 -4.360 10.060 1.167 4 HA VAL 1 HA VAL 1 -3.212 8.924 2.745 5 HB VAL 1 HB VAL 1 -4.694 6.880 1.069 6 1HG1 VAL 1 HG11 VAL 1 -4.763 5.702 3.409 7 2HG1 VAL 1 HG12 VAL 1 -3.316 6.656 3.734 8 3HG1 VAL 1 HG13 VAL 1 -3.334 5.508 2.394 9 1HG2 VAL 1 HG21 VAL 1 -5.401 8.908 3.092 10 2HG2 VAL 1 HG22 VAL 1 -6.092 7.313 3.395 11 3HG2 VAL 1 HG23 VAL 1 -6.414 8.138 1.870 12 H PHE 2 HN PHE 2 -1.060 8.477 2.950 13 HA PHE 2 HA PHE 2 0.175 6.471 1.111 14 1HB PHE 2 HB2 PHE 2 0.706 9.364 1.399 15 2HB PHE 2 HB1 PHE 2 2.149 8.351 1.428 16 HD1 PHE 2 HD1 PHE 2 -1.011 8.907 -0.502 17 HD2 PHE 2 HD2 PHE 2 3.061 7.544 -0.576 18 HE1 PHE 2 HE1 PHE 2 -1.144 8.644 -2.965 19 HE2 PHE 2 HE2 PHE 2 2.929 7.281 -3.039 20 HZ PHE 2 HZ PHE 2 0.826 7.832 -4.233 21 H ILE 3 HN ILE 3 1.785 5.219 2.145 22 HA ILE 3 HA ILE 3 2.517 5.986 4.945 23 HB ILE 3 HB ILE 3 2.158 3.434 5.384 24 1HG1 ILE 3 HG12 ILE 3 0.117 3.706 3.193 25 2HG1 ILE 3 HG11 ILE 3 1.756 3.194 2.787 26 1HG2 ILE 3 HG21 ILE 3 0.087 5.585 5.093 27 2HG2 ILE 3 HG22 ILE 3 0.712 4.826 6.558 28 3HG2 ILE 3 HG23 ILE 3 -0.427 3.956 5.531 29 1HD1 ILE 3 HD11 ILE 3 1.497 1.471 4.684 30 2HD1 ILE 3 HD12 ILE 3 0.590 1.170 3.202 31 3HD1 ILE 3 HD13 ILE 3 -0.226 1.838 4.616 32 H ASN 4 HN ASN 4 4.641 5.474 5.466 33 HA ASN 4 HA ASN 4 6.565 4.943 3.460 34 1HB ASN 4 HB2 ASN 4 8.076 4.721 5.336 35 2HB ASN 4 HB1 ASN 4 6.857 5.911 5.791 36 1HD2 ASN 4 HD21 ASN 4 8.521 3.618 7.273 37 2HD2 ASN 4 HD22 ASN 4 7.340 2.928 8.278 38 H ALA 5 HN ALA 5 4.996 2.711 5.765 39 HA ALA 5 HA ALA 5 5.111 0.335 5.885 40 1HB ALA 5 HB1 ALA 5 4.152 -0.567 3.825 41 2HB ALA 5 HB2 ALA 5 4.686 0.852 2.925 42 3HB ALA 5 HB3 ALA 5 3.430 1.008 4.153 43 H LYS 6 HN LYS 6 5.888 -1.166 3.353 44 HA LYS 6 HA LYS 6 8.668 -0.658 2.781 45 1HB LYS 6 HB2 LYS 6 9.558 -2.553 4.144 46 2HB LYS 6 HB1 LYS 6 8.887 -1.260 5.138 47 1HG LYS 6 HG2 LYS 6 6.804 -3.128 4.439 48 2HG LYS 6 HG1 LYS 6 8.157 -3.990 5.173 49 1HD LYS 6 HD2 LYS 6 7.992 -2.816 7.180 50 2HD LYS 6 HD1 LYS 6 7.187 -1.439 6.426 51 1HE LYS 6 HE2 LYS 6 5.628 -2.821 7.830 52 2HE LYS 6 HE1 LYS 6 5.138 -2.777 6.125 53 1HZ LYS 6 HZ1 LYS 6 5.807 -4.900 5.771 54 2HZ LYS 6 HZ2 LYS 6 5.469 -5.050 7.429 55 3HZ LYS 6 HZ3 LYS 6 7.068 -4.822 6.902 56 H CYS 7 HN CYS 7 6.569 -1.225 1.147 57 HA CYS 7 HA CYS 7 5.990 -3.929 0.529 58 1HB CYS 7 HB2 CYS 7 5.440 -2.967 -1.708 59 2HB CYS 7 HB1 CYS 7 4.814 -1.982 -0.386 60 H ARG 8 HN ARG 8 6.995 -5.433 -0.850 61 HA ARG 8 HA ARG 8 9.840 -4.816 -1.567 62 1HB ARG 8 HB2 ARG 8 8.319 -7.190 -0.567 63 2HB ARG 8 HB1 ARG 8 9.714 -7.490 -1.605 64 1HG ARG 8 HG2 ARG 8 9.923 -5.602 0.733 65 2HG ARG 8 HG1 ARG 8 10.108 -7.342 0.961 66 1HD ARG 8 HD2 ARG 8 11.755 -5.588 -0.898 67 2HD ARG 8 HD1 ARG 8 12.323 -6.403 0.575 68 HE ARG 8 HE ARG 8 11.285 -8.494 -0.829 69 1HH1 ARG 8 HH21 ARG 8 14.222 -8.262 -0.679 70 2HH1 ARG 8 HH22 ARG 8 14.687 -8.113 -2.342 71 1HH2 ARG 8 HH11 ARG 8 11.500 -7.282 -3.431 72 2HH2 ARG 8 HH12 ARG 8 13.143 -7.563 -3.902 73 H GLY 9 HN GLY 9 6.736 -5.417 -2.859 74 1HA GLY 9 HA2 GLY 9 7.915 -5.708 -5.568 75 2HA GLY 9 HA1 GLY 9 6.736 -6.915 -5.052 76 H SER 10 HN SER 10 4.610 -5.951 -4.226 77 HA SER 10 HA SER 10 3.690 -3.353 -4.730 78 1HB SER 10 HB2 SER 10 3.975 -3.208 -6.978 79 2HB SER 10 HB1 SER 10 4.276 -4.937 -7.121 80 HG SER 10 HG SER 10 2.215 -3.804 -8.008 81 HA PRO 11 HA PRO 11 -0.086 -6.390 -5.175 82 1HB PRO 11 HB2 PRO 11 0.932 -9.046 -4.741 83 2HB PRO 11 HB1 PRO 11 0.134 -8.407 -6.182 84 1HG PRO 11 HG2 PRO 11 2.913 -9.058 -5.842 85 2HG PRO 11 HG1 PRO 11 2.108 -8.444 -7.289 86 1HD PRO 11 HD2 PRO 11 3.934 -7.047 -5.571 87 2HD PRO 11 HD1 PRO 11 3.077 -6.410 -6.994 88 H GLU 12 HN GLU 12 2.646 -6.808 -3.040 89 HA GLU 12 HA GLU 12 1.186 -7.997 -0.822 90 1HB GLU 12 HB2 GLU 12 3.862 -6.762 -1.359 91 2HB GLU 12 HB1 GLU 12 3.366 -6.974 0.320 92 1HG GLU 12 HG2 GLU 12 3.385 -9.176 -1.766 93 2HG GLU 12 HG1 GLU 12 4.633 -8.938 -0.542 94 H CYS 13 HN CYS 13 1.493 -4.795 -2.091 95 HA CYS 13 HA CYS 13 1.098 -3.282 0.329 96 1HB CYS 13 HB2 CYS 13 1.317 -2.906 -2.525 97 2HB CYS 13 HB1 CYS 13 -0.015 -1.934 -1.903 98 H LEU 14 HN LEU 14 -1.084 -5.008 -1.819 99 HA LEU 14 HA LEU 14 -3.532 -3.724 -1.184 100 1HB LEU 14 HB2 LEU 14 -2.548 -6.211 -2.362 101 2HB LEU 14 HB1 LEU 14 -4.087 -6.429 -1.531 102 HG LEU 14 HG LEU 14 -3.654 -4.113 -3.412 103 1HD1 LEU 14 HD11 LEU 14 -3.243 -6.538 -4.387 104 2HD1 LEU 14 HD12 LEU 14 -4.228 -5.377 -5.276 105 3HD1 LEU 14 HD13 LEU 14 -5.001 -6.636 -4.313 106 1HD2 LEU 14 HD21 LEU 14 -5.614 -4.295 -1.766 107 2HD2 LEU 14 HD22 LEU 14 -6.173 -5.650 -2.746 108 3HD2 LEU 14 HD23 LEU 14 -6.038 -4.044 -3.460 109 HA PRO 15 HA PRO 15 -4.075 -7.006 2.365 110 1HB PRO 15 HB2 PRO 15 -1.437 -7.915 3.060 111 2HB PRO 15 HB1 PRO 15 -2.790 -8.873 2.450 112 1HG PRO 15 HG2 PRO 15 -0.385 -8.099 1.060 113 2HG PRO 15 HG1 PRO 15 -1.702 -9.124 0.483 114 1HD PRO 15 HD2 PRO 15 -1.076 -6.468 -0.374 115 2HD PRO 15 HD1 PRO 15 -2.483 -7.451 -0.847 116 H LYS 16 HN LYS 16 -0.804 -5.522 2.379 117 HA LYS 16 HA LYS 16 -0.731 -4.678 5.075 118 1HB LYS 16 HB2 LYS 16 0.524 -3.980 2.483 119 2HB LYS 16 HB1 LYS 16 0.617 -2.724 3.716 120 1HG LYS 16 HG2 LYS 16 2.565 -4.254 3.826 121 2HG LYS 16 HG1 LYS 16 1.600 -4.322 5.301 122 1HD LYS 16 HD2 LYS 16 0.380 -6.304 4.244 123 2HD LYS 16 HD1 LYS 16 1.659 -6.317 3.030 124 1HE LYS 16 HE2 LYS 16 2.614 -6.187 5.833 125 2HE LYS 16 HE1 LYS 16 1.821 -7.706 5.370 126 1HZ LYS 16 HZ1 LYS 16 3.916 -6.352 3.757 127 2HZ LYS 16 HZ2 LYS 16 3.215 -7.869 3.447 128 3HZ LYS 16 HZ3 LYS 16 4.217 -7.652 4.802 129 H CYS 17 HN CYS 17 -2.043 -2.992 2.212 130 HA CYS 17 HA CYS 17 -2.892 -0.649 3.723 131 1HB CYS 17 HB2 CYS 17 -3.110 -1.762 0.960 132 2HB CYS 17 HB1 CYS 17 -4.267 -0.514 1.421 133 H LYS 18 HN LYS 18 -4.456 -3.611 2.530 134 HA LYS 18 HA LYS 18 -7.159 -3.003 3.045 135 1HB LYS 18 HB2 LYS 18 -6.637 -5.010 1.916 136 2HB LYS 18 HB1 LYS 18 -5.458 -5.493 3.135 137 1HG LYS 18 HG2 LYS 18 -7.035 -6.506 4.399 138 2HG LYS 18 HG1 LYS 18 -8.140 -5.138 4.251 139 1HD LYS 18 HD2 LYS 18 -7.870 -6.536 1.719 140 2HD LYS 18 HD1 LYS 18 -8.397 -7.633 2.996 141 1HE LYS 18 HE2 LYS 18 -9.747 -5.003 3.032 142 2HE LYS 18 HE1 LYS 18 -10.103 -6.001 1.608 143 1HZ LYS 18 HZ1 LYS 18 -10.619 -7.852 3.021 144 2HZ LYS 18 HZ2 LYS 18 -11.547 -6.522 3.528 145 3HZ LYS 18 HZ3 LYS 18 -10.172 -6.988 4.410 146 H GLU 19 HN GLU 19 -4.554 -3.789 5.281 147 HA GLU 19 HA GLU 19 -6.482 -3.916 7.555 148 1HB GLU 19 HB2 GLU 19 -4.754 -5.689 7.196 149 2HB GLU 19 HB1 GLU 19 -3.500 -4.465 7.402 150 1HG GLU 19 HG2 GLU 19 -4.000 -5.765 9.499 151 2HG GLU 19 HG1 GLU 19 -4.218 -4.022 9.672 152 H ALA 20 HN ALA 20 -4.144 -1.831 6.062 153 HA ALA 20 HA ALA 20 -3.584 -0.237 8.457 154 1HB ALA 20 HB1 ALA 20 -2.579 1.258 6.598 155 2HB ALA 20 HB2 ALA 20 -3.029 -0.040 5.493 156 3HB ALA 20 HB3 ALA 20 -1.886 -0.350 6.799 157 H ILE 21 HN ILE 21 -5.420 0.321 5.422 158 HA ILE 21 HA ILE 21 -6.804 2.603 6.770 159 HB ILE 21 HB ILE 21 -7.180 3.404 4.534 160 1HG1 ILE 21 HG12 ILE 21 -6.354 0.604 3.714 161 2HG1 ILE 21 HG11 ILE 21 -7.916 1.381 3.449 162 1HG2 ILE 21 HG21 ILE 21 -5.021 3.998 4.278 163 2HG2 ILE 21 HG22 ILE 21 -4.569 2.354 3.824 164 3HG2 ILE 21 HG23 ILE 21 -4.615 2.818 5.524 165 1HD1 ILE 21 HD11 ILE 21 -6.501 1.381 1.398 166 2HD1 ILE 21 HD12 ILE 21 -5.292 2.331 2.262 167 3HD1 ILE 21 HD13 ILE 21 -6.888 3.012 1.945 168 H GLY 22 HN GLY 22 -7.372 -0.425 4.998 169 1HA GLY 22 HA2 GLY 22 -9.289 -1.823 5.706 170 2HA GLY 22 HA1 GLY 22 -10.197 -0.334 5.972 171 H LYS 23 HN LYS 23 -8.183 -0.496 3.159 172 HA LYS 23 HA LYS 23 -10.607 -1.022 1.470 173 1HB LYS 23 HB2 LYS 23 -8.383 1.014 1.099 174 2HB LYS 23 HB1 LYS 23 -9.715 0.754 -0.027 175 1HG LYS 23 HG2 LYS 23 -10.624 1.144 2.729 176 2HG LYS 23 HG1 LYS 23 -9.741 2.533 2.094 177 1HD LYS 23 HD2 LYS 23 -11.996 2.912 1.453 178 2HD LYS 23 HD1 LYS 23 -11.213 2.297 -0.002 179 1HE LYS 23 HE2 LYS 23 -12.187 0.089 1.606 180 2HE LYS 23 HE1 LYS 23 -13.503 1.222 1.237 181 1HZ LYS 23 HZ1 LYS 23 -11.637 -0.076 -0.665 182 2HZ LYS 23 HZ2 LYS 23 -12.586 1.267 -1.090 183 3HZ LYS 23 HZ3 LYS 23 -13.328 -0.192 -0.629 184 H ALA 24 HN ALA 24 -8.631 -0.489 -0.848 185 HA ALA 24 HA ALA 24 -6.554 -2.461 -0.770 186 1HB ALA 24 HB1 ALA 24 -7.725 -4.374 -1.043 187 2HB ALA 24 HB2 ALA 24 -8.535 -3.707 -2.461 188 3HB ALA 24 HB3 ALA 24 -9.213 -3.445 -0.854 189 H ALA 25 HN ALA 25 -6.626 0.080 -1.859 190 HA ALA 25 HA ALA 25 -6.400 -0.503 -4.783 191 1HB ALA 25 HB1 ALA 25 -7.354 2.163 -4.378 192 2HB ALA 25 HB2 ALA 25 -8.374 1.077 -3.435 193 3HB ALA 25 HB3 ALA 25 -8.184 0.824 -5.170 194 H GLY 26 HN GLY 26 -4.131 -0.357 -4.799 195 1HA GLY 26 HA2 GLY 26 -2.889 2.164 -4.982 196 2HA GLY 26 HA1 GLY 26 -2.625 1.601 -3.331 197 H LYS 27 HN LYS 27 -0.311 1.781 -4.450 198 HA LYS 27 HA LYS 27 0.416 -1.009 -5.219 199 1HB LYS 27 HB2 LYS 27 1.400 1.449 -6.688 200 2HB LYS 27 HB1 LYS 27 1.591 -0.237 -7.167 201 1HG LYS 27 HG2 LYS 27 -1.044 -0.248 -7.098 202 2HG LYS 27 HG1 LYS 27 -0.857 1.497 -7.279 203 1HD LYS 27 HD2 LYS 27 0.514 -0.495 -9.098 204 2HD LYS 27 HD1 LYS 27 -1.068 0.196 -9.457 205 1HE LYS 27 HE2 LYS 27 1.476 1.797 -8.994 206 2HE LYS 27 HE1 LYS 27 0.702 1.514 -10.566 207 1HZ LYS 27 HZ1 LYS 27 -0.268 3.487 -9.917 208 2HZ LYS 27 HZ2 LYS 27 -0.283 3.073 -8.270 209 3HZ LYS 27 HZ3 LYS 27 -1.396 2.360 -9.338 210 H CYS 28 HN CYS 28 3.068 -0.797 -5.563 211 HA CYS 28 HA CYS 28 4.037 0.245 -2.943 212 1HB CYS 28 HB2 CYS 28 4.506 -2.059 -3.282 213 2HB CYS 28 HB1 CYS 28 4.949 -1.807 -4.969 214 H MET 29 HN MET 29 6.133 1.421 -2.926 215 HA MET 29 HA MET 29 6.962 2.593 -5.538 216 1HB MET 29 HB2 MET 29 5.111 3.872 -4.155 217 2HB MET 29 HB1 MET 29 6.487 4.389 -3.183 218 1HG MET 29 HG2 MET 29 7.095 4.609 -6.010 219 2HG MET 29 HG1 MET 29 5.636 5.515 -5.611 220 1HE MET 29 HE1 MET 29 5.896 7.607 -5.679 221 2HE MET 29 HE2 MET 29 6.948 8.678 -4.758 222 3HE MET 29 HE3 MET 29 5.678 7.779 -3.933 223 H ASN 30 HN ASN 30 9.050 1.688 -5.359 224 HA ASN 30 HA ASN 30 11.269 1.475 -4.568 225 1HB ASN 30 HB2 ASN 30 11.025 3.907 -5.030 226 2HB ASN 30 HB1 ASN 30 10.487 4.150 -3.368 227 1HD2 ASN 30 HD21 ASN 30 13.161 2.117 -4.685 228 2HD2 ASN 30 HD22 ASN 30 14.372 2.844 -3.743 229 H GLY 31 HN GLY 31 9.034 0.457 -2.813 230 1HA GLY 31 HA2 GLY 31 9.431 -0.830 -0.781 231 2HA GLY 31 HA1 GLY 31 10.627 0.372 -0.296 232 H LYS 32 HN LYS 32 7.661 1.566 -1.603 233 HA LYS 32 HA LYS 32 6.635 2.108 1.161 234 1HB LYS 32 HB2 LYS 32 6.842 4.008 -1.203 235 2HB LYS 32 HB1 LYS 32 6.144 4.409 0.366 236 1HG LYS 32 HG2 LYS 32 8.177 4.766 1.274 237 2HG LYS 32 HG1 LYS 32 8.787 3.231 0.656 238 1HD LYS 32 HD2 LYS 32 9.954 4.320 -0.926 239 2HD LYS 32 HD1 LYS 32 8.460 5.008 -1.560 240 1HE LYS 32 HE2 LYS 32 9.189 7.035 -0.851 241 2HE LYS 32 HE1 LYS 32 9.025 6.446 0.816 242 1HZ LYS 32 HZ1 LYS 32 11.261 6.804 0.777 243 2HZ LYS 32 HZ2 LYS 32 11.398 6.541 -0.896 244 3HZ LYS 32 HZ3 LYS 32 11.250 5.222 0.166 245 H CYS 33 HN CYS 33 4.255 2.691 1.109 246 HA CYS 33 HA CYS 33 2.894 1.197 -1.103 247 1HB CYS 33 HB2 CYS 33 2.911 0.598 1.482 248 2HB CYS 33 HB1 CYS 33 1.634 1.812 1.542 249 H LYS 34 HN LYS 34 1.479 2.295 -2.373 250 HA LYS 34 HA LYS 34 0.661 5.066 -1.550 251 1HB LYS 34 HB2 LYS 34 0.475 4.084 -4.372 252 2HB LYS 34 HB1 LYS 34 0.893 5.686 -3.778 253 1HG LYS 34 HG2 LYS 34 3.127 5.017 -3.258 254 2HG LYS 34 HG1 LYS 34 2.736 3.307 -3.448 255 1HD LYS 34 HD2 LYS 34 3.818 3.863 -5.475 256 2HD LYS 34 HD1 LYS 34 2.102 3.917 -5.877 257 1HE LYS 34 HE2 LYS 34 2.958 6.491 -4.853 258 2HE LYS 34 HE1 LYS 34 3.960 6.002 -6.234 259 1HZ LYS 34 HZ1 LYS 34 2.076 5.629 -7.557 260 2HZ LYS 34 HZ2 LYS 34 1.772 7.114 -6.790 261 3HZ LYS 34 HZ3 LYS 34 1.016 5.697 -6.235 262 H CYS 35 HN CYS 35 -1.306 4.396 -0.456 263 HA CYS 35 HA CYS 35 -3.313 3.039 -2.227 264 1HB CYS 35 HB2 CYS 35 -2.876 3.095 0.768 265 2HB CYS 35 HB1 CYS 35 -4.336 2.433 0.031 266 H TYR 36 HN TYR 36 -5.599 3.749 -1.827 267 HA TYR 36 HA TYR 36 -5.707 6.705 -1.423 268 1HB TYR 36 HB2 TYR 36 -7.056 4.648 -3.064 269 2HB TYR 36 HB1 TYR 36 -8.126 5.902 -2.436 270 HD1 TYR 36 HD1 TYR 36 -4.537 6.450 -3.122 271 HD2 TYR 36 HD2 TYR 36 -8.550 6.985 -4.562 272 HE1 TYR 36 HE1 TYR 36 -3.708 8.026 -4.847 273 HE2 TYR 36 HE2 TYR 36 -7.719 8.562 -6.288 274 HH TYR 36 HH TYR 36 -4.375 8.919 -6.989 275 HA PRO 37 HA PRO 37 -7.933 6.408 2.362 276 1HB PRO 37 HB2 PRO 37 -9.879 8.389 1.612 277 2HB PRO 37 HB1 PRO 37 -8.442 8.603 2.617 278 1HG PRO 37 HG2 PRO 37 -8.875 9.555 -0.056 279 2HG PRO 37 HG1 PRO 37 -7.440 9.761 0.952 280 1HD PRO 37 HD2 PRO 37 -7.745 8.074 -1.371 281 2HD PRO 37 HD1 PRO 37 -6.298 8.282 -0.352
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