NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
20343 | 2fk4 | 6407 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 HT1 ALA 1 53.454 -3.275 -7.500 2 HA ALA 1 HA ALA 1 55.064 -0.857 -8.069 3 1HB ALA 1 HB1 ALA 1 56.425 -3.012 -8.048 4 2HB ALA 1 HB2 ALA 1 56.399 -2.146 -9.583 5 3HB ALA 1 HB3 ALA 1 55.387 -3.572 -9.360 6 H MET 2 HN MET 2 54.685 -2.734 -10.730 7 HA MET 2 HA MET 2 52.879 -0.956 -11.979 8 1HB MET 2 HB2 MET 2 54.437 -2.539 -13.152 9 2HB MET 2 HB1 MET 2 53.339 -3.855 -12.731 10 1HG MET 2 HG2 MET 2 51.499 -2.613 -13.903 11 2HG MET 2 HG1 MET 2 52.698 -1.434 -14.438 12 1HE MET 2 HE1 MET 2 55.322 -3.426 -14.990 13 2HE MET 2 HE2 MET 2 54.720 -1.889 -15.605 14 3HE MET 2 HE3 MET 2 55.042 -3.211 -16.724 15 H SER 3 HN SER 3 52.185 -4.077 -10.313 16 HA SER 3 HA SER 3 49.429 -4.145 -11.105 17 1HB SER 3 HB2 SER 3 50.570 -5.049 -8.443 18 2HB SER 3 HB1 SER 3 49.069 -5.596 -9.184 19 HG SER 3 HG SER 3 50.289 -6.514 -10.850 20 H TYR 4 HN TYR 4 51.032 -2.781 -8.218 21 HA TYR 4 HA TYR 4 49.146 -0.564 -8.205 22 1HB TYR 4 HB2 TYR 4 47.816 -2.339 -7.092 23 2HB TYR 4 HB1 TYR 4 49.075 -2.505 -5.875 24 HD1 TYR 4 HD1 TYR 4 49.349 -0.866 -4.127 25 HD2 TYR 4 HD2 TYR 4 46.556 -0.224 -7.319 26 HE1 TYR 4 HE1 TYR 4 48.385 1.042 -2.890 27 HE2 TYR 4 HE2 TYR 4 45.580 1.686 -6.080 28 HH TYR 4 HH TYR 4 47.098 3.042 -3.303 29 H SER 5 HN SER 5 49.904 1.154 -6.756 30 HA SER 5 HA SER 5 52.212 0.632 -5.047 31 1HB SER 5 HB2 SER 5 53.832 1.925 -6.305 32 2HB SER 5 HB1 SER 5 53.205 0.637 -7.318 33 HG SER 5 HG SER 5 53.231 2.642 -8.412 34 H LEU 6 HN LEU 6 52.822 2.543 -3.781 35 HA LEU 6 HA LEU 6 50.749 4.703 -3.975 36 1HB LEU 6 HB2 LEU 6 52.449 3.919 -1.585 37 2HB LEU 6 HB1 LEU 6 51.165 5.129 -1.599 38 HG LEU 6 HG LEU 6 50.839 2.156 -2.098 39 1HD1 LEU 6 HD11 LEU 6 50.783 2.209 0.181 40 2HD1 LEU 6 HD12 LEU 6 49.158 2.849 -0.061 41 3HD1 LEU 6 HD13 LEU 6 50.504 3.950 0.231 42 1HD2 LEU 6 HD21 LEU 6 48.327 3.050 -1.903 43 2HD2 LEU 6 HD22 LEU 6 49.171 3.014 -3.452 44 3HD2 LEU 6 HD23 LEU 6 49.064 4.521 -2.541 45 H TYR 7 HN TYR 7 51.725 6.341 -5.191 46 HA TYR 7 HA TYR 7 54.566 6.770 -5.236 47 1HB TYR 7 HB2 TYR 7 53.058 7.565 -7.051 48 2HB TYR 7 HB1 TYR 7 52.417 8.783 -5.941 49 HD1 TYR 7 HD1 TYR 7 55.462 7.621 -7.705 50 HD2 TYR 7 HD2 TYR 7 53.686 10.734 -5.339 51 HE1 TYR 7 HE1 TYR 7 57.406 9.086 -8.174 52 HE2 TYR 7 HE2 TYR 7 55.628 12.200 -5.812 53 HH TYR 7 HH TYR 7 57.769 11.692 -8.238 54 H GLY 8 HN GLY 8 51.951 8.307 -3.407 55 1HA GLY 8 HA2 GLY 8 53.792 9.120 -1.316 56 2HA GLY 8 HA1 GLY 8 53.236 10.478 -2.293 57 H THR 9 HN THR 9 52.322 11.115 -0.146 58 HA THR 9 HA THR 9 50.317 9.740 1.248 59 HB THR 9 HB THR 9 50.485 12.731 0.825 60 HG1 THR 9 HG1 THR 9 51.632 11.183 2.889 61 1HG2 THR 9 HG21 THR 9 49.612 12.545 3.288 62 2HG2 THR 9 HG22 THR 9 49.089 10.937 2.788 63 3HG2 THR 9 HG23 THR 9 48.474 12.364 1.953 64 H THR 10 HN THR 10 49.859 11.845 -1.649 65 HA THR 10 HA THR 10 47.042 12.010 -1.471 66 HB THR 10 HB THR 10 48.638 11.682 -4.028 67 HG1 THR 10 HG1 THR 10 49.193 13.385 -2.361 68 1HG2 THR 10 HG21 THR 10 46.684 13.388 -4.651 69 2HG2 THR 10 HG22 THR 10 45.862 12.536 -3.346 70 3HG2 THR 10 HG23 THR 10 46.448 11.644 -4.749 71 H LEU 11 HN LEU 11 49.006 9.431 -2.996 72 HA LEU 11 HA LEU 11 46.700 7.855 -3.742 73 1HB LEU 11 HB2 LEU 11 49.565 6.971 -3.317 74 2HB LEU 11 HB1 LEU 11 48.304 6.028 -4.111 75 HG LEU 11 HG LEU 11 49.450 8.678 -5.033 76 1HD1 LEU 11 HD11 LEU 11 49.404 6.695 -7.061 77 2HD1 LEU 11 HD12 LEU 11 50.034 5.917 -5.613 78 3HD1 LEU 11 HD13 LEU 11 50.815 7.361 -6.246 79 1HD2 LEU 11 HD21 LEU 11 47.196 8.905 -5.614 80 2HD2 LEU 11 HD22 LEU 11 46.970 7.167 -5.814 81 3HD2 LEU 11 HD23 LEU 11 47.845 8.089 -7.037 82 H GLU 12 HN GLU 12 48.637 8.166 -0.873 83 HA GLU 12 HA GLU 12 48.032 5.834 0.562 84 1HB GLU 12 HB2 GLU 12 49.527 7.677 1.375 85 2HB GLU 12 HB1 GLU 12 48.087 8.637 1.717 86 1HG GLU 12 HG2 GLU 12 47.262 6.787 3.189 87 2HG GLU 12 HG1 GLU 12 48.799 5.960 2.940 88 H GLN 13 HN GLN 13 45.967 8.555 -0.180 89 HA GLN 13 HA GLN 13 44.060 8.414 1.842 90 1HB GLN 13 HB2 GLN 13 43.642 8.819 -1.134 91 2HB GLN 13 HB1 GLN 13 42.484 9.268 0.120 92 1HG GLN 13 HG2 GLN 13 44.171 10.762 1.137 93 2HG GLN 13 HG1 GLN 13 45.311 10.331 -0.138 94 1HE2 GLN 13 HE21 GLN 13 45.088 11.336 -2.170 95 2HE2 GLN 13 HE22 GLN 13 43.892 12.482 -2.527 96 H GLN 14 HN GLN 14 44.249 6.290 -1.074 97 HA GLN 14 HA GLN 14 41.767 4.951 -0.481 98 1HB GLN 14 HB2 GLN 14 42.946 4.857 -2.691 99 2HB GLN 14 HB1 GLN 14 44.165 3.821 -1.948 100 1HG GLN 14 HG2 GLN 14 42.444 2.165 -1.382 101 2HG GLN 14 HG1 GLN 14 41.198 3.206 -2.070 102 1HE2 GLN 14 HE21 GLN 14 41.371 0.718 -3.221 103 2HE2 GLN 14 HE22 GLN 14 42.121 0.800 -4.741 104 H TYR 15 HN TYR 15 45.160 4.113 0.270 105 HA TYR 15 HA TYR 15 44.373 1.796 1.847 106 1HB TYR 15 HB2 TYR 15 47.035 3.172 1.455 107 2HB TYR 15 HB1 TYR 15 46.831 1.787 2.518 108 HD1 TYR 15 HD1 TYR 15 44.624 1.813 -0.370 109 HD2 TYR 15 HD2 TYR 15 48.547 0.644 0.985 110 HE1 TYR 15 HE1 TYR 15 44.826 0.267 -2.281 111 HE2 TYR 15 HE2 TYR 15 48.734 -0.890 -0.946 112 HH TYR 15 HH TYR 15 47.473 -1.998 -2.546 113 H ASN 16 HN ASN 16 44.759 5.148 2.511 114 HA ASN 16 HA ASN 16 45.593 5.143 5.184 115 1HB ASN 16 HB2 ASN 16 45.159 7.148 3.697 116 2HB ASN 16 HB1 ASN 16 43.450 6.973 4.097 117 1HD2 ASN 16 HD21 ASN 16 42.814 8.180 5.881 118 2HD2 ASN 16 HD22 ASN 16 43.832 8.659 7.152 119 H LYS 17 HN LYS 17 42.248 4.600 3.982 120 HA LYS 17 HA LYS 17 41.175 4.628 6.654 121 1HB LYS 17 HB2 LYS 17 39.337 4.846 5.398 122 2HB LYS 17 HB1 LYS 17 40.103 4.161 3.978 123 1HG LYS 17 HG2 LYS 17 39.705 1.867 4.944 124 2HG LYS 17 HG1 LYS 17 38.854 2.627 6.285 125 1HD LYS 17 HD2 LYS 17 37.474 3.785 4.372 126 2HD LYS 17 HD1 LYS 17 38.061 2.439 3.397 127 1HE LYS 17 HE2 LYS 17 37.217 0.889 5.224 128 2HE LYS 17 HE1 LYS 17 36.424 2.292 5.939 129 1HZ LYS 17 HZ1 LYS 17 35.838 0.903 3.426 130 2HZ LYS 17 HZ2 LYS 17 35.536 2.572 3.512 131 3HZ LYS 17 HZ3 LYS 17 34.773 1.511 4.597 132 HA PRO 18 HA PRO 18 41.793 -0.016 6.789 133 1HB PRO 18 HB2 PRO 18 41.851 -1.462 4.512 134 2HB PRO 18 HB1 PRO 18 40.361 -0.686 5.074 135 1HG PRO 18 HG2 PRO 18 42.021 -0.037 2.767 136 2HG PRO 18 HG1 PRO 18 40.378 0.497 3.154 137 1HD PRO 18 HD2 PRO 18 42.937 1.873 3.653 138 2HD PRO 18 HD1 PRO 18 41.299 2.539 3.642 139 H LEU 19 HN LEU 19 44.272 1.730 6.135 140 HA LEU 19 HA LEU 19 46.184 0.277 4.681 141 1HB LEU 19 HB2 LEU 19 46.596 2.555 5.609 142 2HB LEU 19 HB1 LEU 19 46.741 1.846 7.216 143 HG LEU 19 HG LEU 19 48.562 0.334 6.218 144 1HD1 LEU 19 HD11 LEU 19 49.707 1.385 4.221 145 2HD1 LEU 19 HD12 LEU 19 48.279 2.398 4.020 146 3HD1 LEU 19 HD13 LEU 19 48.148 0.646 3.861 147 1HD2 LEU 19 HD21 LEU 19 49.281 2.060 7.682 148 2HD2 LEU 19 HD22 LEU 19 48.864 3.325 6.525 149 3HD2 LEU 19 HD23 LEU 19 50.253 2.278 6.225 150 H SER 20 HN SER 20 45.289 -0.163 8.131 151 HA SER 20 HA SER 20 47.315 -2.101 8.690 152 1HB SER 20 HB2 SER 20 44.498 -2.025 9.815 153 2HB SER 20 HB1 SER 20 45.895 -2.811 10.544 154 HG SER 20 HG SER 20 45.914 -0.064 9.893 155 H ASP 21 HN ASP 21 44.076 -2.383 7.305 156 HA ASP 21 HA ASP 21 43.943 -5.233 7.096 157 1HB ASP 21 HB2 ASP 21 42.094 -3.517 6.682 158 2HB ASP 21 HB1 ASP 21 42.842 -3.273 5.103 159 H LEU 22 HN LEU 22 45.302 -2.722 5.051 160 HA LEU 22 HA LEU 22 45.994 -4.559 2.898 161 1HB LEU 22 HB2 LEU 22 46.970 -1.732 3.422 162 2HB LEU 22 HB1 LEU 22 47.053 -2.607 1.890 163 HG LEU 22 HG LEU 22 44.518 -1.817 3.353 164 1HD1 LEU 22 HD11 LEU 22 45.618 0.045 2.227 165 2HD1 LEU 22 HD12 LEU 22 44.145 -0.398 1.370 166 3HD1 LEU 22 HD13 LEU 22 45.718 -0.891 0.739 167 1HD2 LEU 22 HD21 LEU 22 45.051 -3.511 0.928 168 2HD2 LEU 22 HD22 LEU 22 43.543 -2.607 1.075 169 3HD2 LEU 22 HD23 LEU 22 43.962 -3.826 2.280 170 H LEU 23 HN LEU 23 48.092 -5.326 2.465 171 HA LEU 23 HA LEU 23 49.711 -5.525 4.903 172 1HB LEU 23 HB2 LEU 23 49.132 -7.574 3.847 173 2HB LEU 23 HB1 LEU 23 49.636 -6.989 2.272 174 HG LEU 23 HG LEU 23 51.137 -8.586 3.967 175 1HD1 LEU 23 HD11 LEU 23 51.579 -8.570 1.673 176 2HD1 LEU 23 HD12 LEU 23 53.018 -7.801 2.343 177 3HD1 LEU 23 HD13 LEU 23 51.747 -6.813 1.618 178 1HD2 LEU 23 HD21 LEU 23 51.586 -6.201 5.180 179 2HD2 LEU 23 HD22 LEU 23 52.775 -6.097 3.883 180 3HD2 LEU 23 HD23 LEU 23 52.812 -7.439 5.020 181 H ILE 24 HN ILE 24 51.442 -4.309 5.201 182 HA ILE 24 HA ILE 24 53.137 -3.564 2.833 183 HB ILE 24 HB ILE 24 52.859 -2.001 5.407 184 1HG1 ILE 24 HG12 ILE 24 50.794 -1.743 4.203 185 2HG1 ILE 24 HG11 ILE 24 51.752 -0.296 3.914 186 1HG2 ILE 24 HG21 ILE 24 54.983 -2.037 3.760 187 2HG2 ILE 24 HG22 ILE 24 54.454 -0.560 4.563 188 3HG2 ILE 24 HG23 ILE 24 53.989 -0.869 2.892 189 1HD1 ILE 24 HD11 ILE 24 51.085 -2.517 2.042 190 2HD1 ILE 24 HD12 ILE 24 52.632 -1.691 1.847 191 3HD1 ILE 24 HD13 ILE 24 51.128 -0.778 1.756 192 H ARG 25 HN ARG 25 55.225 -4.502 3.005 193 HA ARG 25 HA ARG 25 56.418 -4.857 5.682 194 1HB ARG 25 HB2 ARG 25 54.861 -6.860 5.207 195 2HB ARG 25 HB1 ARG 25 56.054 -7.315 3.983 196 1HG ARG 25 HG2 ARG 25 57.811 -7.354 5.718 197 2HG ARG 25 HG1 ARG 25 56.611 -6.951 6.950 198 1HD ARG 25 HD2 ARG 25 56.545 -9.405 5.162 199 2HD ARG 25 HD1 ARG 25 56.995 -9.388 6.865 200 HE ARG 25 HE ARG 25 54.374 -8.231 6.437 201 1HH1 ARG 25 HH21 ARG 25 56.201 -11.144 6.728 202 2HH1 ARG 25 HH22 ARG 25 54.867 -12.075 7.323 203 1HH2 ARG 25 HH11 ARG 25 52.628 -9.430 7.217 204 2HH2 ARG 25 HH12 ARG 25 52.845 -11.105 7.600 205 H CYS 26 HN CYS 26 58.674 -5.769 5.484 206 HA CYS 26 HA CYS 26 60.237 -4.559 3.468 207 1HB CYS 26 HB2 CYS 26 60.605 -6.541 5.600 208 2HB CYS 26 HB1 CYS 26 61.615 -6.874 4.207 209 H ILE 27 HN ILE 27 60.784 -5.236 1.407 210 HA ILE 27 HA ILE 27 59.266 -7.185 0.003 211 HB ILE 27 HB ILE 27 60.771 -5.197 -0.864 212 1HG1 ILE 27 HG12 ILE 27 60.848 -7.840 -2.339 213 2HG1 ILE 27 HG11 ILE 27 59.420 -6.809 -2.252 214 1HG2 ILE 27 HG21 ILE 27 62.741 -7.371 -1.425 215 2HG2 ILE 27 HG22 ILE 27 62.807 -6.621 0.161 216 3HG2 ILE 27 HG23 ILE 27 63.006 -5.636 -1.285 217 1HD1 ILE 27 HD11 ILE 27 60.233 -5.489 -3.895 218 2HD1 ILE 27 HD12 ILE 27 61.608 -6.579 -4.050 219 3HD1 ILE 27 HD13 ILE 27 61.703 -5.198 -2.957 220 H ASN 28 HN ASN 28 62.179 -7.415 1.912 221 HA ASN 28 HA ASN 28 62.412 -10.287 1.062 222 1HB ASN 28 HB2 ASN 28 64.633 -10.049 0.581 223 2HB ASN 28 HB1 ASN 28 64.207 -8.356 0.384 224 1HD2 ASN 28 HD21 ASN 28 65.634 -7.019 1.495 225 2HD2 ASN 28 HD22 ASN 28 66.400 -7.409 2.959 226 H CYS 29 HN CYS 29 63.199 -7.969 3.685 227 HA CYS 29 HA CYS 29 64.019 -10.022 5.523 228 1HB CYS 29 HB2 CYS 29 62.734 -7.365 6.211 229 2HB CYS 29 HB1 CYS 29 63.773 -8.341 7.253 230 H GLN 30 HN GLN 30 60.913 -8.659 4.648 231 HA GLN 30 HA GLN 30 58.741 -9.265 5.254 232 1HB GLN 30 HB2 GLN 30 60.188 -11.897 5.395 233 2HB GLN 30 HB1 GLN 30 58.463 -11.774 5.759 234 1HG GLN 30 HG2 GLN 30 58.707 -12.259 3.403 235 2HG GLN 30 HG1 GLN 30 58.149 -10.601 3.565 236 1HE2 GLN 30 HE21 GLN 30 59.760 -8.882 3.275 237 2HE2 GLN 30 HE22 GLN 30 61.175 -9.182 2.405 238 H LYS 31 HN LYS 31 60.193 -8.052 7.268 239 HA LYS 31 HA LYS 31 59.253 -9.499 9.705 240 1HB LYS 31 HB2 LYS 31 61.495 -7.604 9.147 241 2HB LYS 31 HB1 LYS 31 60.670 -7.413 10.694 242 1HG LYS 31 HG2 LYS 31 62.550 -8.962 10.945 243 2HG LYS 31 HG1 LYS 31 61.028 -9.830 11.157 244 1HD LYS 31 HD2 LYS 31 61.130 -10.658 8.867 245 2HD LYS 31 HD1 LYS 31 62.579 -9.702 8.554 246 1HE LYS 31 HE2 LYS 31 63.940 -11.137 9.704 247 2HE LYS 31 HE1 LYS 31 62.701 -11.518 10.900 248 1HZ LYS 31 HZ1 LYS 31 63.438 -12.990 8.636 249 2HZ LYS 31 HZ2 LYS 31 61.839 -12.461 8.413 250 3HZ LYS 31 HZ3 LYS 31 62.253 -13.363 9.791 251 HA PRO 32 HA PRO 32 55.977 -6.569 10.124 252 1HB PRO 32 HB2 PRO 32 56.488 -5.447 12.645 253 2HB PRO 32 HB1 PRO 32 55.577 -6.944 12.361 254 1HG PRO 32 HG2 PRO 32 58.439 -6.580 13.085 255 2HG PRO 32 HG1 PRO 32 57.280 -7.788 13.670 256 1HD PRO 32 HD2 PRO 32 59.131 -8.456 11.859 257 2HD PRO 32 HD1 PRO 32 57.466 -9.078 11.699 258 H LEU 33 HN LEU 33 55.808 -4.425 9.392 259 HA LEU 33 HA LEU 33 58.359 -2.862 9.394 260 1HB LEU 33 HB2 LEU 33 57.043 -3.510 7.249 261 2HB LEU 33 HB1 LEU 33 55.862 -2.323 7.780 262 HG LEU 33 HG LEU 33 57.824 -0.660 7.898 263 1HD1 LEU 33 HD11 LEU 33 59.810 -1.855 7.719 264 2HD1 LEU 33 HD12 LEU 33 59.539 -1.528 6.004 265 3HD1 LEU 33 HD13 LEU 33 59.099 -3.093 6.682 266 1HD2 LEU 33 HD21 LEU 33 57.481 -1.621 5.083 267 2HD2 LEU 33 HD22 LEU 33 57.353 0.016 5.727 268 3HD2 LEU 33 HD23 LEU 33 56.036 -1.132 5.965 269 H SER 34 HN SER 34 58.498 -1.213 10.748 270 HA SER 34 HA SER 34 56.405 -0.551 12.522 271 1HB SER 34 HB2 SER 34 58.034 0.649 13.553 272 2HB SER 34 HB1 SER 34 59.125 0.057 12.305 273 HG SER 34 HG SER 34 59.039 2.374 12.485 274 HA PRO 35 HA PRO 35 54.167 1.756 9.484 275 1HB PRO 35 HB2 PRO 35 52.529 3.099 11.324 276 2HB PRO 35 HB1 PRO 35 52.179 1.558 10.524 277 1HG PRO 35 HG2 PRO 35 53.048 2.072 13.267 278 2HG PRO 35 HG1 PRO 35 52.186 0.690 12.586 279 1HD PRO 35 HD2 PRO 35 54.854 0.680 13.323 280 2HD PRO 35 HD1 PRO 35 54.101 -0.482 12.208 281 H GLU 36 HN GLU 36 56.097 2.848 12.018 282 HA GLU 36 HA GLU 36 55.854 5.708 11.558 283 1HB GLU 36 HB2 GLU 36 58.182 4.054 12.609 284 2HB GLU 36 HB1 GLU 36 58.111 5.817 12.642 285 1HG GLU 36 HG2 GLU 36 56.129 3.957 13.990 286 2HG GLU 36 HG1 GLU 36 57.408 4.854 14.810 287 H GLU 37 HN GLU 37 57.779 3.068 10.255 288 HA GLU 37 HA GLU 37 59.342 4.681 8.434 289 1HB GLU 37 HB2 GLU 37 58.590 1.739 8.432 290 2HB GLU 37 HB1 GLU 37 59.775 2.461 7.347 291 1HG GLU 37 HG2 GLU 37 61.099 3.204 9.309 292 2HG GLU 37 HG1 GLU 37 59.924 2.435 10.376 293 H LYS 38 HN LYS 38 56.307 2.853 8.222 294 HA LYS 38 HA LYS 38 55.889 3.248 5.430 295 1HB LYS 38 HB2 LYS 38 53.833 2.857 7.623 296 2HB LYS 38 HB1 LYS 38 53.532 2.682 5.899 297 1HG LYS 38 HG2 LYS 38 55.381 0.953 5.865 298 2HG LYS 38 HG1 LYS 38 55.361 1.002 7.624 299 1HD LYS 38 HD2 LYS 38 52.970 0.325 5.882 300 2HD LYS 38 HD1 LYS 38 53.996 -0.848 6.700 301 1HE LYS 38 HE2 LYS 38 53.305 -0.088 8.859 302 2HE LYS 38 HE1 LYS 38 52.492 1.320 8.176 303 1HZ LYS 38 HZ1 LYS 38 51.333 -0.697 6.849 304 2HZ LYS 38 HZ2 LYS 38 50.699 0.022 8.251 305 3HZ LYS 38 HZ3 LYS 38 51.601 -1.413 8.363 306 H GLN 39 HN GLN 39 55.036 5.104 8.325 307 HA GLN 39 HA GLN 39 53.385 6.939 6.992 308 1HB GLN 39 HB2 GLN 39 53.581 6.842 9.468 309 2HB GLN 39 HB1 GLN 39 55.184 7.582 9.339 310 1HG GLN 39 HG2 GLN 39 53.505 9.324 9.752 311 2HG GLN 39 HG1 GLN 39 54.164 9.501 8.121 312 1HE2 GLN 39 HE21 GLN 39 52.886 8.610 6.334 313 2HE2 GLN 39 HE22 GLN 39 51.210 8.436 6.473 314 H ARG 40 HN ARG 40 56.915 7.003 7.436 315 HA ARG 40 HA ARG 40 57.242 9.525 6.088 316 1HB ARG 40 HB2 ARG 40 59.132 7.152 6.285 317 2HB ARG 40 HB1 ARG 40 59.582 8.751 5.689 318 1HG ARG 40 HG2 ARG 40 58.890 9.724 7.878 319 2HG ARG 40 HG1 ARG 40 58.562 8.094 8.467 320 1HD ARG 40 HD2 ARG 40 60.785 8.696 9.197 321 2HD ARG 40 HD1 ARG 40 60.951 7.501 7.910 322 HE ARG 40 HE ARG 40 61.008 10.187 6.844 323 1HH1 ARG 40 HH21 ARG 40 62.803 7.786 8.546 324 2HH1 ARG 40 HH22 ARG 40 64.342 8.347 7.982 325 1HH2 ARG 40 HH11 ARG 40 63.004 10.933 6.098 326 2HH2 ARG 40 HH12 ARG 40 64.456 10.130 6.596 327 H HIS 41 HN HIS 41 57.015 6.158 5.052 328 HA HIS 41 HA HIS 41 57.663 6.549 2.307 329 1HB HIS 41 HB2 HIS 41 55.666 4.572 3.467 330 2HB HIS 41 HB1 HIS 41 56.458 4.452 1.900 331 HD1 HIS 41 HD1 HIS 41 56.820 2.256 4.057 332 HD2 HIS 41 HD2 HIS 41 59.448 5.444 3.518 333 HE1 HIS 41 HE1 HIS 41 59.007 1.559 5.108 334 H LEU 42 HN LEU 42 54.604 6.524 4.041 335 HA LEU 42 HA LEU 42 52.921 7.237 1.843 336 1HB LEU 42 HB2 LEU 42 52.536 7.662 4.819 337 2HB LEU 42 HB1 LEU 42 51.277 7.755 3.596 338 HG LEU 42 HG LEU 42 52.937 5.292 4.188 339 1HD1 LEU 42 HD11 LEU 42 50.831 6.309 5.663 340 2HD1 LEU 42 HD12 LEU 42 51.322 4.617 5.628 341 3HD1 LEU 42 HD13 LEU 42 50.032 5.181 4.567 342 1HD2 LEU 42 HD21 LEU 42 50.743 4.495 2.767 343 2HD2 LEU 42 HD22 LEU 42 52.321 4.817 2.050 344 3HD2 LEU 42 HD23 LEU 42 51.074 6.064 2.034 345 H ASP 43 HN ASP 43 54.729 9.162 4.209 346 HA ASP 43 HA ASP 43 53.481 11.643 3.732 347 1HB ASP 43 HB2 ASP 43 56.352 11.010 4.465 348 2HB ASP 43 HB1 ASP 43 55.666 12.635 4.489 349 H LYS 44 HN LYS 44 56.184 10.046 2.042 350 HA LYS 44 HA LYS 44 55.494 11.103 -0.480 351 1HB LYS 44 HB2 LYS 44 56.045 13.309 0.646 352 2HB LYS 44 HB1 LYS 44 57.700 12.742 0.786 353 1HG LYS 44 HG2 LYS 44 57.617 14.053 -1.201 354 2HG LYS 44 HG1 LYS 44 57.628 12.370 -1.738 355 1HD LYS 44 HD2 LYS 44 55.291 12.376 -2.164 356 2HD LYS 44 HD1 LYS 44 55.051 13.870 -1.260 357 1HE LYS 44 HE2 LYS 44 56.831 13.782 -3.701 358 2HE LYS 44 HE1 LYS 44 55.086 13.981 -3.865 359 1HZ LYS 44 HZ1 LYS 44 56.678 15.689 -2.053 360 2HZ LYS 44 HZ2 LYS 44 55.127 15.975 -2.685 361 3HZ LYS 44 HZ3 LYS 44 56.490 16.074 -3.694 362 H LYS 45 HN LYS 45 56.291 8.735 -0.416 363 HA LYS 45 HA LYS 45 59.211 8.436 -0.329 364 1HB LYS 45 HB2 LYS 45 57.642 6.556 0.293 365 2HB LYS 45 HB1 LYS 45 57.243 6.423 -1.412 366 1HG LYS 45 HG2 LYS 45 59.641 6.114 -1.960 367 2HG LYS 45 HG1 LYS 45 60.027 6.211 -0.239 368 1HD LYS 45 HD2 LYS 45 58.532 4.264 0.178 369 2HD LYS 45 HD1 LYS 45 58.293 4.112 -1.563 370 1HE LYS 45 HE2 LYS 45 60.047 2.595 -1.099 371 2HE LYS 45 HE1 LYS 45 60.876 4.027 -1.707 372 1HZ LYS 45 HZ1 LYS 45 60.694 4.556 0.919 373 2HZ LYS 45 HZ2 LYS 45 62.048 3.854 0.172 374 3HZ LYS 45 HZ3 LYS 45 60.894 2.872 0.938 375 H GLN 46 HN GLN 46 60.571 8.243 -2.088 376 HA GLN 46 HA GLN 46 59.887 9.508 -4.519 377 1HB GLN 46 HB2 GLN 46 62.208 8.934 -3.714 378 2HB GLN 46 HB1 GLN 46 61.880 7.251 -4.128 379 1HG GLN 46 HG2 GLN 46 61.470 7.911 -6.463 380 2HG GLN 46 HG1 GLN 46 61.814 9.587 -6.047 381 1HE2 GLN 46 HE21 GLN 46 63.325 8.032 -7.926 382 2HE2 GLN 46 HE22 GLN 46 64.912 7.894 -7.337 383 H ARG 47 HN ARG 47 59.778 6.078 -3.545 384 HA ARG 47 HA ARG 47 57.572 5.603 -5.393 385 1HB ARG 47 HB2 ARG 47 60.225 4.211 -5.818 386 2HB ARG 47 HB1 ARG 47 58.705 3.695 -6.543 387 1HG ARG 47 HG2 ARG 47 58.493 5.955 -7.595 388 2HG ARG 47 HG1 ARG 47 60.089 6.350 -6.963 389 1HD ARG 47 HD2 ARG 47 60.993 4.336 -8.170 390 2HD ARG 47 HD1 ARG 47 59.412 4.158 -8.932 391 HE ARG 47 HE ARG 47 59.983 6.723 -9.570 392 1HH1 ARG 47 HH21 ARG 47 61.883 3.847 -9.579 393 2HH1 ARG 47 HH22 ARG 47 62.898 4.361 -10.885 394 1HH2 ARG 47 HH11 ARG 47 61.303 7.416 -11.270 395 2HH2 ARG 47 HH12 ARG 47 62.570 6.383 -11.841 396 H PHE 48 HN PHE 48 56.210 4.430 -4.125 397 HA PHE 48 HA PHE 48 57.379 2.289 -2.375 398 1HB PHE 48 HB2 PHE 48 55.808 4.317 -1.496 399 2HB PHE 48 HB1 PHE 48 54.548 3.246 -2.085 400 HD1 PHE 48 HD1 PHE 48 53.486 2.475 -0.155 401 HD2 PHE 48 HD2 PHE 48 57.781 2.332 -0.354 402 HE1 PHE 48 HE1 PHE 48 53.550 1.189 1.961 403 HE2 PHE 48 HE2 PHE 48 57.829 1.057 1.767 404 HZ PHE 48 HZ PHE 48 55.727 0.474 2.915 405 H HIS 49 HN HIS 49 56.848 0.176 -3.184 406 HA HIS 49 HA HIS 49 54.766 0.207 -5.339 407 1HB HIS 49 HB2 HIS 49 57.324 -1.359 -5.172 408 2HB HIS 49 HB1 HIS 49 56.084 -1.661 -6.374 409 HD1 HIS 49 HD1 HIS 49 55.347 0.770 -7.645 410 HD2 HIS 49 HD2 HIS 49 59.196 0.423 -6.083 411 HE1 HIS 49 HE1 HIS 49 56.756 2.514 -8.821 412 H ASN 50 HN ASN 50 53.280 -1.345 -5.513 413 HA ASN 50 HA ASN 50 53.130 -3.361 -3.319 414 1HB ASN 50 HB2 ASN 50 51.288 -1.756 -3.273 415 2HB ASN 50 HB1 ASN 50 50.912 -2.122 -4.937 416 1HD2 ASN 50 HD21 ASN 50 51.448 -3.989 -1.922 417 2HD2 ASN 50 HD22 ASN 50 50.140 -5.039 -2.161 418 H ILE 51 HN ILE 51 53.368 -5.385 -3.883 419 HA ILE 51 HA ILE 51 52.771 -6.256 -6.680 420 HB ILE 51 HB ILE 51 54.653 -7.547 -4.676 421 1HG1 ILE 51 HG12 ILE 51 55.649 -5.461 -5.324 422 2HG1 ILE 51 HG11 ILE 51 56.428 -6.713 -6.293 423 1HG2 ILE 51 HG21 ILE 51 55.413 -8.519 -7.043 424 2HG2 ILE 51 HG22 ILE 51 53.731 -8.174 -7.447 425 3HG2 ILE 51 HG23 ILE 51 54.112 -9.268 -6.117 426 1HD1 ILE 51 HD11 ILE 51 55.908 -5.122 -7.915 427 2HD1 ILE 51 HD12 ILE 51 54.395 -4.669 -7.132 428 3HD1 ILE 51 HD13 ILE 51 54.513 -6.193 -8.009 429 H ARG 52 HN ARG 52 51.282 -8.013 -6.815 430 HA ARG 52 HA ARG 52 49.478 -8.365 -4.692 431 1HB ARG 52 HB2 ARG 52 50.209 -10.333 -6.884 432 2HB ARG 52 HB1 ARG 52 48.790 -10.475 -5.845 433 1HG ARG 52 HG2 ARG 52 48.043 -8.222 -6.630 434 2HG ARG 52 HG1 ARG 52 49.406 -8.198 -7.750 435 1HD ARG 52 HD2 ARG 52 47.168 -10.243 -7.710 436 2HD ARG 52 HD1 ARG 52 47.391 -8.973 -8.912 437 HE ARG 52 HE ARG 52 49.017 -11.433 -8.669 438 1HH1 ARG 52 HH21 ARG 52 48.452 -8.326 -10.056 439 2HH1 ARG 52 HH22 ARG 52 49.461 -8.611 -11.435 440 1HH2 ARG 52 HH11 ARG 52 50.339 -11.822 -10.460 441 2HH2 ARG 52 HH12 ARG 52 50.530 -10.592 -11.664 442 H GLY 53 HN GLY 53 49.367 -9.753 -2.958 443 1HA GLY 53 HA2 GLY 53 50.106 -11.218 -1.297 444 2HA GLY 53 HA1 GLY 53 50.996 -12.059 -2.563 445 H ARG 54 HN ARG 54 52.407 -9.289 -3.080 446 HA ARG 54 HA ARG 54 54.188 -9.409 -0.679 447 1HB ARG 54 HB2 ARG 54 55.097 -10.777 -2.552 448 2HB ARG 54 HB1 ARG 54 55.129 -9.333 -3.556 449 1HG ARG 54 HG2 ARG 54 56.651 -8.250 -1.920 450 2HG ARG 54 HG1 ARG 54 56.654 -9.738 -0.968 451 1HD ARG 54 HD2 ARG 54 57.489 -10.965 -2.984 452 2HD ARG 54 HD1 ARG 54 57.614 -9.423 -3.826 453 HE ARG 54 HE ARG 54 59.087 -9.085 -1.476 454 1HH1 ARG 54 HH21 ARG 54 59.006 -11.226 -4.175 455 2HH1 ARG 54 HH22 ARG 54 60.709 -11.539 -4.150 456 1HH2 ARG 54 HH11 ARG 54 61.318 -9.483 -1.429 457 2HH2 ARG 54 HH12 ARG 54 62.017 -10.554 -2.597 458 H TRP 55 HN TRP 55 54.938 -7.427 0.026 459 HA TRP 55 HA TRP 55 54.263 -5.045 -1.661 460 1HB TRP 55 HB2 TRP 55 53.520 -5.637 1.028 461 2HB TRP 55 HB1 TRP 55 54.700 -4.330 1.094 462 HD1 TRP 55 HD1 TRP 55 51.160 -5.103 0.100 463 HE1 TRP 55 HE1 TRP 55 50.025 -2.945 -0.733 464 HE3 TRP 55 HE3 TRP 55 55.227 -2.047 -0.276 465 HZ2 TRP 55 HZ2 TRP 55 50.764 -0.305 -1.484 466 HZ3 TRP 55 HZ3 TRP 55 54.983 0.269 -1.065 467 HH2 TRP 55 HH2 TRP 55 52.749 1.156 -1.679 468 H THR 56 HN THR 56 55.900 -3.359 -1.810 469 HA THR 56 HA THR 56 58.480 -4.043 -0.486 470 HB THR 56 HB THR 56 58.387 -4.960 -2.849 471 HG1 THR 56 HG1 THR 56 60.396 -3.144 -2.989 472 1HG2 THR 56 HG21 THR 56 58.620 -3.377 -4.665 473 2HG2 THR 56 HG22 THR 56 58.603 -2.025 -3.531 474 3HG2 THR 56 HG23 THR 56 57.150 -2.999 -3.766 475 H GLY 57 HN GLY 57 60.026 -2.296 -0.486 476 1HA GLY 57 HA2 GLY 57 59.815 0.298 -1.379 477 2HA GLY 57 HA1 GLY 57 58.778 0.277 0.042 478 H ARG 58 HN ARG 58 59.741 -0.161 2.107 479 HA ARG 58 HA ARG 58 62.276 0.947 2.551 480 1HB ARG 58 HB2 ARG 58 60.875 0.776 4.422 481 2HB ARG 58 HB1 ARG 58 60.686 -0.970 4.219 482 1HG ARG 58 HG2 ARG 58 62.977 -1.384 4.749 483 2HG ARG 58 HG1 ARG 58 63.365 0.345 4.710 484 1HD ARG 58 HD2 ARG 58 61.524 -1.035 6.682 485 2HD ARG 58 HD1 ARG 58 63.157 -0.478 7.030 486 HE ARG 58 HE ARG 58 60.826 1.178 7.071 487 1HH1 ARG 58 HH21 ARG 58 64.108 1.069 6.007 488 2HH1 ARG 58 HH22 ARG 58 64.301 2.789 6.005 489 1HH2 ARG 58 HH11 ARG 58 61.074 3.432 7.067 490 2HH2 ARG 58 HH12 ARG 58 62.592 4.120 6.605 491 H CYS 59 HN CYS 59 61.521 -2.464 2.052 492 HA CYS 59 HA CYS 59 64.011 -3.381 2.934 493 1HB CYS 59 HB2 CYS 59 61.922 -4.645 2.079 494 2HB CYS 59 HB1 CYS 59 62.777 -4.592 0.539 495 H MET 60 HN MET 60 63.115 -1.785 -0.039 496 HA MET 60 HA MET 60 65.431 -2.399 -1.580 497 1HB MET 60 HB2 MET 60 63.436 -1.045 -2.379 498 2HB MET 60 HB1 MET 60 64.061 0.311 -1.440 499 1HG MET 60 HG2 MET 60 66.217 0.115 -2.717 500 2HG MET 60 HG1 MET 60 65.446 -1.100 -3.737 501 1HE MET 60 HE1 MET 60 62.784 0.544 -5.668 502 2HE MET 60 HE2 MET 60 62.307 0.222 -4.002 503 3HE MET 60 HE3 MET 60 63.387 -0.895 -4.834 504 H SER 61 HN SER 61 64.823 -0.112 1.039 505 HA SER 61 HA SER 61 67.390 1.179 0.981 506 1HB SER 61 HB2 SER 61 66.831 1.977 3.199 507 2HB SER 61 HB1 SER 61 65.362 2.013 2.229 508 HG SER 61 HG SER 61 66.163 0.110 4.170 509 H CYS 62 HN CYS 62 66.214 -1.864 2.316 510 HA CYS 62 HA CYS 62 68.371 -2.381 4.113 511 1HB CYS 62 HB2 CYS 62 66.734 -4.371 2.486 512 2HB CYS 62 HB1 CYS 62 67.805 -4.783 3.819 513 H SER 63 HN SER 63 68.084 -2.614 0.633 514 HA SER 63 HA SER 63 70.953 -3.475 0.546 515 1HB SER 63 HB2 SER 63 70.472 -4.692 -1.515 516 2HB SER 63 HB1 SER 63 69.393 -5.257 -0.242 517 HG SER 63 HG SER 63 67.975 -3.469 -1.158 518 H ARG 64 HN ARG 64 72.193 -2.556 -1.222 519 HA ARG 64 HA ARG 64 70.919 -0.141 -2.442 520 1HB ARG 64 HB2 ARG 64 73.742 -0.431 -1.376 521 2HB ARG 64 HB1 ARG 64 73.157 0.959 -2.292 522 1HG ARG 64 HG2 ARG 64 71.393 1.313 -0.570 523 2HG ARG 64 HG1 ARG 64 72.077 -0.017 0.367 524 1HD ARG 64 HD2 ARG 64 72.980 2.039 1.254 525 2HD ARG 64 HD1 ARG 64 74.272 1.225 0.375 526 HE ARG 64 HE ARG 64 72.842 3.669 -0.522 527 1HH1 ARG 64 HH21 ARG 64 75.193 1.183 -1.009 528 2HH1 ARG 64 HH22 ARG 64 76.033 2.044 -2.253 529 1HH2 ARG 64 HH11 ARG 64 73.932 4.797 -2.146 530 2HH2 ARG 64 HH12 ARG 64 75.322 4.086 -2.896 531 H SER 65 HN SER 65 71.623 0.381 -4.570 532 HA SER 65 HA SER 65 73.113 -1.824 -5.942 533 1HB SER 65 HB2 SER 65 70.936 -0.038 -7.074 534 2HB SER 65 HB1 SER 65 71.781 -1.312 -7.949 535 HG SER 65 HG SER 65 70.997 -2.684 -6.113 536 H SER 66 HN SER 66 74.648 -1.168 -7.525 537 HA SER 66 HA SER 66 75.291 1.755 -7.477 538 1HB SER 66 HB2 SER 66 77.207 -0.581 -7.735 539 2HB SER 66 HB1 SER 66 77.655 1.122 -7.729 540 HG SER 66 HG SER 66 77.205 -0.519 -5.661 541 H ARG 67 HN ARG 67 75.959 2.685 -9.460 542 HA ARG 67 HA ARG 67 75.027 1.211 -11.844 543 1HB ARG 67 HB2 ARG 67 74.369 3.594 -11.454 544 2HB ARG 67 HB1 ARG 67 76.066 4.051 -11.611 545 1HG ARG 67 HG2 ARG 67 76.091 3.043 -13.892 546 2HG ARG 67 HG1 ARG 67 74.366 2.711 -13.735 547 1HD ARG 67 HD2 ARG 67 75.649 5.455 -13.581 548 2HD ARG 67 HD1 ARG 67 74.752 4.820 -14.961 549 HE ARG 67 HE ARG 67 73.109 4.654 -12.625 550 1HH1 ARG 67 HH21 ARG 67 74.546 6.886 -14.824 551 2HH1 ARG 67 HH22 ARG 67 73.311 8.084 -14.622 552 1HH2 ARG 67 HH11 ARG 67 71.488 6.203 -12.349 553 2HH2 ARG 67 HH12 ARG 67 71.579 7.697 -13.220 Start of MODEL 2 1 H ALA 1 HT1 ALA 1 54.122 -1.172 -7.321 2 HA ALA 1 HA ALA 1 55.957 -0.727 -8.724 3 1HB ALA 1 HB1 ALA 1 55.894 -3.702 -9.310 4 2HB ALA 1 HB2 ALA 1 57.137 -2.854 -8.387 5 3HB ALA 1 HB3 ALA 1 56.943 -2.532 -10.110 6 H MET 2 HN MET 2 55.475 -2.771 -11.165 7 HA MET 2 HA MET 2 53.816 -1.004 -12.625 8 1HB MET 2 HB2 MET 2 55.302 -2.752 -13.628 9 2HB MET 2 HB1 MET 2 54.147 -3.978 -13.106 10 1HG MET 2 HG2 MET 2 52.376 -2.807 -14.428 11 2HG MET 2 HG1 MET 2 53.605 -1.691 -15.022 12 1HE MET 2 HE1 MET 2 52.613 -5.052 -14.289 13 2HE MET 2 HE2 MET 2 53.844 -6.086 -15.007 14 3HE MET 2 HE3 MET 2 52.367 -5.739 -15.900 15 H SER 3 HN SER 3 52.927 -3.916 -10.717 16 HA SER 3 HA SER 3 50.195 -3.957 -11.572 17 1HB SER 3 HB2 SER 3 51.242 -4.653 -8.811 18 2HB SER 3 HB1 SER 3 49.742 -5.216 -9.542 19 HG SER 3 HG SER 3 52.381 -5.971 -10.021 20 H TYR 4 HN TYR 4 51.757 -2.347 -8.770 21 HA TYR 4 HA TYR 4 49.966 -0.094 -9.051 22 1HB TYR 4 HB2 TYR 4 48.442 -1.720 -7.978 23 2HB TYR 4 HB1 TYR 4 49.555 -1.856 -6.621 24 HD1 TYR 4 HD1 TYR 4 49.678 -0.166 -4.941 25 HD2 TYR 4 HD2 TYR 4 47.393 0.473 -8.514 26 HE1 TYR 4 HE1 TYR 4 48.708 1.880 -3.951 27 HE2 TYR 4 HE2 TYR 4 46.416 2.523 -7.526 28 HH TYR 4 HH TYR 4 47.683 4.082 -4.913 29 H SER 5 HN SER 5 50.610 1.694 -7.655 30 HA SER 5 HA SER 5 52.774 1.251 -5.724 31 1HB SER 5 HB2 SER 5 54.448 2.557 -6.882 32 2HB SER 5 HB1 SER 5 53.928 1.229 -7.907 33 HG SER 5 HG SER 5 53.189 2.637 -9.284 34 H LEU 6 HN LEU 6 53.333 3.267 -4.546 35 HA LEU 6 HA LEU 6 51.148 5.299 -4.807 36 1HB LEU 6 HB2 LEU 6 52.843 4.656 -2.377 37 2HB LEU 6 HB1 LEU 6 51.548 5.852 -2.444 38 HG LEU 6 HG LEU 6 51.232 2.868 -2.893 39 1HD1 LEU 6 HD11 LEU 6 49.590 3.952 -0.816 40 2HD1 LEU 6 HD12 LEU 6 51.249 4.476 -0.524 41 3HD1 LEU 6 HD13 LEU 6 50.878 2.757 -0.668 42 1HD2 LEU 6 HD21 LEU 6 49.420 5.240 -3.218 43 2HD2 LEU 6 HD22 LEU 6 48.741 3.688 -2.735 44 3HD2 LEU 6 HD23 LEU 6 49.604 3.836 -4.267 45 H TYR 7 HN TYR 7 51.703 7.355 -5.276 46 HA TYR 7 HA TYR 7 54.457 8.323 -4.808 47 1HB TYR 7 HB2 TYR 7 53.121 8.579 -7.522 48 2HB TYR 7 HB1 TYR 7 54.738 9.120 -7.083 49 HD1 TYR 7 HD1 TYR 7 53.299 6.851 -9.049 50 HD2 TYR 7 HD2 TYR 7 55.900 6.886 -5.631 51 HE1 TYR 7 HE1 TYR 7 54.188 4.637 -9.707 52 HE2 TYR 7 HE2 TYR 7 56.783 4.659 -6.289 53 HH TYR 7 HH TYR 7 55.991 3.206 -9.363 54 H GLY 8 HN GLY 8 51.421 8.781 -4.069 55 1HA GLY 8 HA2 GLY 8 50.556 10.874 -3.201 56 2HA GLY 8 HA1 GLY 8 51.536 11.736 -4.402 57 H THR 9 HN THR 9 50.666 9.226 -6.095 58 HA THR 9 HA THR 9 48.671 10.507 -7.703 59 HB THR 9 HB THR 9 49.159 7.520 -7.407 60 HG1 THR 9 HG1 THR 9 50.301 8.869 -9.500 61 1HG2 THR 9 HG21 THR 9 48.419 7.543 -9.815 62 2HG2 THR 9 HG22 THR 9 47.981 9.238 -9.604 63 3HG2 THR 9 HG23 THR 9 47.157 7.991 -8.667 64 H THR 10 HN THR 10 48.628 8.302 -5.002 65 HA THR 10 HA THR 10 45.680 8.694 -4.744 66 HB THR 10 HB THR 10 45.509 6.534 -3.741 67 HG1 THR 10 HG1 THR 10 48.117 7.026 -3.173 68 1HG2 THR 10 HG21 THR 10 45.833 5.322 -5.623 69 2HG2 THR 10 HG22 THR 10 47.568 5.643 -5.632 70 3HG2 THR 10 HG23 THR 10 46.450 6.822 -6.317 71 H LEU 11 HN LEU 11 45.023 8.852 -2.418 72 HA LEU 11 HA LEU 11 47.124 10.336 -0.959 73 1HB LEU 11 HB2 LEU 11 44.144 10.281 -0.525 74 2HB LEU 11 HB1 LEU 11 45.300 11.351 0.274 75 HG LEU 11 HG LEU 11 44.831 11.200 -2.719 76 1HD1 LEU 11 HD11 LEU 11 43.225 12.427 -0.854 77 2HD1 LEU 11 HD12 LEU 11 43.415 12.991 -2.515 78 3HD1 LEU 11 HD13 LEU 11 44.371 13.715 -1.223 79 1HD2 LEU 11 HD21 LEU 11 47.025 11.902 -2.584 80 2HD2 LEU 11 HD22 LEU 11 46.824 12.568 -0.964 81 3HD2 LEU 11 HD23 LEU 11 46.221 13.455 -2.364 82 H GLU 12 HN GLU 12 47.611 10.010 1.149 83 HA GLU 12 HA GLU 12 47.889 7.406 2.139 84 1HB GLU 12 HB2 GLU 12 49.153 9.405 2.897 85 2HB GLU 12 HB1 GLU 12 47.707 9.984 3.721 86 1HG GLU 12 HG2 GLU 12 47.687 7.887 5.073 87 2HG GLU 12 HG1 GLU 12 49.204 7.420 4.310 88 H GLN 13 HN GLN 13 45.200 9.673 2.661 89 HA GLN 13 HA GLN 13 44.079 8.441 4.928 90 1HB GLN 13 HB2 GLN 13 42.655 9.784 2.620 91 2HB GLN 13 HB1 GLN 13 41.929 9.432 4.188 92 1HG GLN 13 HG2 GLN 13 44.354 11.191 3.713 93 2HG GLN 13 HG1 GLN 13 42.733 11.756 4.119 94 1HE2 GLN 13 HE21 GLN 13 45.604 11.443 5.583 95 2HE2 GLN 13 HE22 GLN 13 45.125 10.966 7.140 96 H GLN 14 HN GLN 14 43.588 7.473 1.478 97 HA GLN 14 HA GLN 14 41.514 5.588 2.108 98 1HB GLN 14 HB2 GLN 14 42.099 6.347 -0.208 99 2HB GLN 14 HB1 GLN 14 43.563 5.368 -0.114 100 1HG GLN 14 HG2 GLN 14 42.212 3.348 0.239 101 2HG GLN 14 HG1 GLN 14 40.738 4.314 0.191 102 1HE2 GLN 14 HE21 GLN 14 40.867 2.330 -1.704 103 2HE2 GLN 14 HE22 GLN 14 41.206 2.974 -3.238 104 H TYR 15 HN TYR 15 45.031 5.147 1.768 105 HA TYR 15 HA TYR 15 45.009 2.374 2.574 106 1HB TYR 15 HB2 TYR 15 47.234 4.425 2.432 107 2HB TYR 15 HB1 TYR 15 47.486 2.712 2.756 108 HD1 TYR 15 HD1 TYR 15 47.549 1.131 0.980 109 HD2 TYR 15 HD2 TYR 15 46.079 5.101 0.254 110 HE1 TYR 15 HE1 TYR 15 47.432 0.636 -1.437 111 HE2 TYR 15 HE2 TYR 15 45.981 4.611 -2.177 112 HH TYR 15 HH TYR 15 45.717 2.345 -3.578 113 H ASN 16 HN ASN 16 45.314 5.440 4.253 114 HA ASN 16 HA ASN 16 46.502 4.647 6.652 115 1HB ASN 16 HB2 ASN 16 45.894 6.981 6.014 116 2HB ASN 16 HB1 ASN 16 44.214 6.608 6.395 117 1HD2 ASN 16 HD21 ASN 16 47.485 6.611 7.903 118 2HD2 ASN 16 HD22 ASN 16 46.921 6.919 9.474 119 H LYS 17 HN LYS 17 43.016 4.345 5.834 120 HA LYS 17 HA LYS 17 42.385 3.424 8.492 121 1HB LYS 17 HB2 LYS 17 40.496 2.288 6.673 122 2HB LYS 17 HB1 LYS 17 40.276 3.599 7.814 123 1HG LYS 17 HG2 LYS 17 40.596 5.246 6.226 124 2HG LYS 17 HG1 LYS 17 41.637 4.248 5.224 125 1HD LYS 17 HD2 LYS 17 39.276 4.730 4.332 126 2HD LYS 17 HD1 LYS 17 39.808 3.062 4.292 127 1HE LYS 17 HE2 LYS 17 37.438 3.631 5.244 128 2HE LYS 17 HE1 LYS 17 38.434 2.436 6.067 129 1HZ LYS 17 HZ1 LYS 17 37.442 4.869 7.060 130 2HZ LYS 17 HZ2 LYS 17 39.139 4.947 7.050 131 3HZ LYS 17 HZ3 LYS 17 38.349 3.689 7.874 132 HA PRO 18 HA PRO 18 42.681 -0.980 6.838 133 1HB PRO 18 HB2 PRO 18 42.999 -1.531 4.236 134 2HB PRO 18 HB1 PRO 18 41.440 -0.965 4.871 135 1HG PRO 18 HG2 PRO 18 43.545 0.536 3.398 136 2HG PRO 18 HG1 PRO 18 41.782 0.626 3.249 137 1HD PRO 18 HD2 PRO 18 43.350 2.399 4.729 138 2HD PRO 18 HD1 PRO 18 41.614 2.154 4.923 139 H LEU 19 HN LEU 19 45.241 1.207 6.045 140 HA LEU 19 HA LEU 19 47.097 -0.453 4.804 141 1HB LEU 19 HB2 LEU 19 47.608 1.907 5.454 142 2HB LEU 19 HB1 LEU 19 47.807 1.373 7.122 143 HG LEU 19 HG LEU 19 49.606 -0.181 6.379 144 1HD1 LEU 19 HD11 LEU 19 50.425 0.611 3.935 145 2HD1 LEU 19 HD12 LEU 19 48.690 0.861 3.737 146 3HD1 LEU 19 HD13 LEU 19 49.310 -0.737 4.157 147 1HD2 LEU 19 HD21 LEU 19 49.772 2.770 5.796 148 2HD2 LEU 19 HD22 LEU 19 51.166 1.737 5.482 149 3HD2 LEU 19 HD23 LEU 19 50.508 1.865 7.118 150 H SER 20 HN SER 20 46.235 -0.468 8.295 151 HA SER 20 HA SER 20 48.067 -2.607 8.935 152 1HB SER 20 HB2 SER 20 45.320 -2.107 10.139 153 2HB SER 20 HB1 SER 20 46.637 -3.017 10.873 154 HG SER 20 HG SER 20 46.168 -0.494 11.167 155 H ASP 21 HN ASP 21 44.786 -2.398 7.678 156 HA ASP 21 HA ASP 21 44.236 -5.209 7.470 157 1HB ASP 21 HB2 ASP 21 43.114 -2.854 5.924 158 2HB ASP 21 HB1 ASP 21 42.485 -4.489 5.822 159 H LEU 22 HN LEU 22 45.887 -2.895 5.410 160 HA LEU 22 HA LEU 22 45.980 -4.603 3.074 161 1HB LEU 22 HB2 LEU 22 47.786 -2.276 3.802 162 2HB LEU 22 HB1 LEU 22 47.561 -2.963 2.195 163 HG LEU 22 HG LEU 22 45.404 -1.613 3.842 164 1HD1 LEU 22 HD11 LEU 22 46.211 -0.576 1.209 165 2HD1 LEU 22 HD12 LEU 22 47.410 -0.400 2.491 166 3HD1 LEU 22 HD13 LEU 22 45.799 0.297 2.688 167 1HD2 LEU 22 HD21 LEU 22 45.411 -3.066 1.223 168 2HD2 LEU 22 HD22 LEU 22 44.305 -1.711 1.469 169 3HD2 LEU 22 HD23 LEU 22 44.218 -3.126 2.523 170 H LEU 23 HN LEU 23 47.726 -5.802 2.312 171 HA LEU 23 HA LEU 23 49.253 -7.274 4.252 172 1HB LEU 23 HB2 LEU 23 50.380 -8.120 2.111 173 2HB LEU 23 HB1 LEU 23 48.623 -8.307 2.172 174 HG LEU 23 HG LEU 23 49.427 -5.679 1.159 175 1HD1 LEU 23 HD11 LEU 23 50.403 -6.316 -0.901 176 2HD1 LEU 23 HD12 LEU 23 50.074 -8.026 -0.620 177 3HD1 LEU 23 HD13 LEU 23 51.304 -7.196 0.333 178 1HD2 LEU 23 HD21 LEU 23 47.698 -6.068 -0.398 179 2HD2 LEU 23 HD22 LEU 23 47.160 -6.897 1.065 180 3HD2 LEU 23 HD23 LEU 23 47.856 -7.820 -0.268 181 H ILE 24 HN ILE 24 50.815 -5.951 5.393 182 HA ILE 24 HA ILE 24 52.859 -4.724 3.581 183 HB ILE 24 HB ILE 24 52.203 -3.781 6.386 184 1HG1 ILE 24 HG12 ILE 24 50.287 -3.292 4.950 185 2HG1 ILE 24 HG11 ILE 24 51.197 -1.803 5.195 186 1HG2 ILE 24 HG21 ILE 24 54.397 -3.121 5.882 187 2HG2 ILE 24 HG22 ILE 24 53.457 -1.739 5.319 188 3HG2 ILE 24 HG23 ILE 24 54.049 -2.933 4.166 189 1HD1 ILE 24 HD11 ILE 24 52.449 -2.668 2.991 190 2HD1 ILE 24 HD12 ILE 24 50.982 -1.695 2.915 191 3HD1 ILE 24 HD13 ILE 24 50.887 -3.445 2.731 192 H ARG 25 HN ARG 25 54.794 -5.633 3.705 193 HA ARG 25 HA ARG 25 55.936 -6.532 6.260 194 1HB ARG 25 HB2 ARG 25 55.609 -8.458 3.940 195 2HB ARG 25 HB1 ARG 25 56.735 -8.701 5.269 196 1HG ARG 25 HG2 ARG 25 54.827 -8.614 6.859 197 2HG ARG 25 HG1 ARG 25 53.725 -8.495 5.480 198 1HD ARG 25 HD2 ARG 25 54.769 -10.644 4.607 199 2HD ARG 25 HD1 ARG 25 55.593 -10.778 6.157 200 HE ARG 25 HE ARG 25 52.842 -10.417 6.713 201 1HH1 ARG 25 HH21 ARG 25 54.982 -12.638 5.171 202 2HH1 ARG 25 HH22 ARG 25 54.021 -14.029 5.546 203 1HH2 ARG 25 HH11 ARG 25 51.580 -12.222 7.216 204 2HH2 ARG 25 HH12 ARG 25 52.095 -13.794 6.704 205 H CYS 26 HN CYS 26 58.337 -7.197 5.683 206 HA CYS 26 HA CYS 26 59.358 -5.148 3.853 207 1HB CYS 26 HB2 CYS 26 60.295 -6.750 6.074 208 2HB CYS 26 HB1 CYS 26 61.486 -6.581 4.812 209 H ILE 27 HN ILE 27 60.867 -5.752 2.121 210 HA ILE 27 HA ILE 27 60.226 -8.239 0.802 211 HB ILE 27 HB ILE 27 61.231 -6.136 -0.287 212 1HG1 ILE 27 HG12 ILE 27 62.829 -8.612 -0.879 213 2HG1 ILE 27 HG11 ILE 27 61.091 -8.587 -1.164 214 1HG2 ILE 27 HG21 ILE 27 63.924 -7.250 0.258 215 2HG2 ILE 27 HG22 ILE 27 63.165 -6.410 1.609 216 3HG2 ILE 27 HG23 ILE 27 63.418 -5.572 0.079 217 1HD1 ILE 27 HD11 ILE 27 61.329 -7.308 -3.023 218 2HD1 ILE 27 HD12 ILE 27 63.058 -7.639 -2.913 219 3HD1 ILE 27 HD13 ILE 27 62.392 -6.178 -2.185 220 H ASN 28 HN ASN 28 62.476 -7.181 3.214 221 HA ASN 28 HA ASN 28 63.761 -9.874 3.269 222 1HB ASN 28 HB2 ASN 28 65.726 -8.807 3.651 223 2HB ASN 28 HB1 ASN 28 64.896 -7.294 3.345 224 1HD2 ASN 28 HD21 ASN 28 65.563 -5.898 5.005 225 2HD2 ASN 28 HD22 ASN 28 65.570 -6.286 6.653 226 H CYS 29 HN CYS 29 62.900 -7.271 5.564 227 HA CYS 29 HA CYS 29 62.633 -9.141 7.748 228 1HB CYS 29 HB2 CYS 29 61.400 -6.403 7.871 229 2HB CYS 29 HB1 CYS 29 62.259 -7.290 9.122 230 H GLN 30 HN GLN 30 61.123 -10.413 6.220 231 HA GLN 30 HA GLN 30 58.526 -9.851 5.557 232 1HB GLN 30 HB2 GLN 30 59.416 -12.385 6.965 233 2HB GLN 30 HB1 GLN 30 58.019 -12.218 5.893 234 1HG GLN 30 HG2 GLN 30 60.908 -11.777 5.139 235 2HG GLN 30 HG1 GLN 30 59.903 -13.120 4.648 236 1HE2 GLN 30 HE21 GLN 30 60.920 -10.062 3.805 237 2HE2 GLN 30 HE22 GLN 30 59.782 -9.711 2.617 238 H LYS 31 HN LYS 31 59.785 -10.422 8.815 239 HA LYS 31 HA LYS 31 57.352 -10.741 10.204 240 1HB LYS 31 HB2 LYS 31 60.008 -9.532 10.862 241 2HB LYS 31 HB1 LYS 31 58.660 -9.116 11.921 242 1HG LYS 31 HG2 LYS 31 59.600 -11.067 12.889 243 2HG LYS 31 HG1 LYS 31 58.180 -11.645 12.017 244 1HD LYS 31 HD2 LYS 31 59.670 -12.162 10.062 245 2HD LYS 31 HD1 LYS 31 61.057 -11.747 11.070 246 1HE LYS 31 HE2 LYS 31 60.225 -13.472 12.737 247 2HE LYS 31 HE1 LYS 31 59.067 -13.985 11.508 248 1HZ LYS 31 HZ1 LYS 31 61.026 -14.258 9.993 249 2HZ LYS 31 HZ2 LYS 31 60.955 -15.359 11.286 250 3HZ LYS 31 HZ3 LYS 31 62.026 -14.041 11.344 251 HA PRO 32 HA PRO 32 54.918 -7.152 9.570 252 1HB PRO 32 HB2 PRO 32 55.359 -6.418 12.449 253 2HB PRO 32 HB1 PRO 32 53.844 -6.469 11.519 254 1HG PRO 32 HG2 PRO 32 54.430 -8.427 13.172 255 2HG PRO 32 HG1 PRO 32 53.728 -8.784 11.590 256 1HD PRO 32 HD2 PRO 32 56.552 -9.146 12.521 257 2HD PRO 32 HD1 PRO 32 55.606 -10.119 11.370 258 H LEU 33 HN LEU 33 55.190 -5.010 9.003 259 HA LEU 33 HA LEU 33 57.945 -3.923 9.194 260 1HB LEU 33 HB2 LEU 33 56.608 -4.167 7.034 261 2HB LEU 33 HB1 LEU 33 55.572 -2.902 7.663 262 HG LEU 33 HG LEU 33 57.717 -1.510 7.944 263 1HD1 LEU 33 HD11 LEU 33 59.647 -2.572 7.437 264 2HD1 LEU 33 HD12 LEU 33 59.110 -2.664 5.758 265 3HD1 LEU 33 HD13 LEU 33 58.764 -3.989 6.872 266 1HD2 LEU 33 HD21 LEU 33 55.947 -1.186 6.180 267 2HD2 LEU 33 HD22 LEU 33 56.859 -2.265 5.126 268 3HD2 LEU 33 HD23 LEU 33 57.561 -0.730 5.637 269 H SER 34 HN SER 34 58.459 -2.337 10.519 270 HA SER 34 HA SER 34 56.630 -1.263 12.377 271 1HB SER 34 HB2 SER 34 58.615 -0.618 13.271 272 2HB SER 34 HB1 SER 34 59.447 -0.990 11.764 273 HG SER 34 HG SER 34 59.518 1.068 11.381 274 HA PRO 35 HA PRO 35 54.581 1.300 9.490 275 1HB PRO 35 HB2 PRO 35 53.653 3.198 11.321 276 2HB PRO 35 HB1 PRO 35 52.845 1.697 10.841 277 1HG PRO 35 HG2 PRO 35 54.337 2.304 13.289 278 2HG PRO 35 HG1 PRO 35 53.051 1.131 12.999 279 1HD PRO 35 HD2 PRO 35 55.709 0.479 13.280 280 2HD PRO 35 HD1 PRO 35 54.500 -0.533 12.459 281 H GLU 36 HN GLU 36 57.251 2.202 11.349 282 HA GLU 36 HA GLU 36 57.430 4.990 10.673 283 1HB GLU 36 HB2 GLU 36 58.917 3.809 12.322 284 2HB GLU 36 HB1 GLU 36 59.724 3.022 10.965 285 1HG GLU 36 HG2 GLU 36 60.285 5.270 10.040 286 2HG GLU 36 HG1 GLU 36 59.569 6.008 11.473 287 H GLU 37 HN GLU 37 58.505 2.035 8.974 288 HA GLU 37 HA GLU 37 59.581 3.494 6.710 289 1HB GLU 37 HB2 GLU 37 58.656 0.616 6.970 290 2HB GLU 37 HB1 GLU 37 59.494 1.273 5.562 291 1HG GLU 37 HG2 GLU 37 61.398 1.916 7.032 292 2HG GLU 37 HG1 GLU 37 60.569 1.162 8.395 293 H LYS 38 HN LYS 38 56.458 2.038 7.519 294 HA LYS 38 HA LYS 38 55.179 2.376 4.990 295 1HB LYS 38 HB2 LYS 38 53.991 2.675 7.775 296 2HB LYS 38 HB1 LYS 38 53.072 2.452 6.295 297 1HG LYS 38 HG2 LYS 38 54.189 0.254 5.977 298 2HG LYS 38 HG1 LYS 38 55.004 0.473 7.526 299 1HD LYS 38 HD2 LYS 38 52.710 0.768 8.579 300 2HD LYS 38 HD1 LYS 38 52.022 0.278 7.034 301 1HE LYS 38 HE2 LYS 38 53.874 -1.667 7.440 302 2HE LYS 38 HE1 LYS 38 53.353 -1.348 9.087 303 1HZ LYS 38 HZ1 LYS 38 51.988 -3.040 7.987 304 2HZ LYS 38 HZ2 LYS 38 51.533 -1.905 6.811 305 3HZ LYS 38 HZ3 LYS 38 51.078 -1.680 8.430 306 H GLN 39 HN GLN 39 55.679 4.410 7.805 307 HA GLN 39 HA GLN 39 54.156 6.615 6.933 308 1HB GLN 39 HB2 GLN 39 55.021 6.388 9.248 309 2HB GLN 39 HB1 GLN 39 56.649 6.726 8.646 310 1HG GLN 39 HG2 GLN 39 55.640 8.801 9.464 311 2HG GLN 39 HG1 GLN 39 55.812 8.880 7.705 312 1HE2 GLN 39 HE21 GLN 39 53.894 8.411 6.407 313 2HE2 GLN 39 HE22 GLN 39 52.343 8.636 7.041 314 H ARG 40 HN ARG 40 57.570 5.841 6.328 315 HA ARG 40 HA ARG 40 58.192 8.265 4.968 316 1HB ARG 40 HB2 ARG 40 59.869 6.515 5.621 317 2HB ARG 40 HB1 ARG 40 59.218 5.467 4.364 318 1HG ARG 40 HG2 ARG 40 61.125 6.503 3.388 319 2HG ARG 40 HG1 ARG 40 59.740 7.362 2.719 320 1HD ARG 40 HD2 ARG 40 60.041 9.149 4.414 321 2HD ARG 40 HD1 ARG 40 61.441 8.290 5.056 322 HE ARG 40 HE ARG 40 62.175 8.576 2.470 323 1HH1 ARG 40 HH21 ARG 40 60.672 10.732 4.702 324 2HH1 ARG 40 HH22 ARG 40 61.365 12.154 3.997 325 1HH2 ARG 40 HH11 ARG 40 63.092 10.418 1.542 326 2HH2 ARG 40 HH12 ARG 40 62.735 11.976 2.208 327 H HIS 41 HN HIS 41 56.731 5.227 3.919 328 HA HIS 41 HA HIS 41 56.592 5.793 1.118 329 1HB HIS 41 HB2 HIS 41 54.574 4.227 2.757 330 2HB HIS 41 HB1 HIS 41 54.925 4.043 1.046 331 HD1 HIS 41 HD1 HIS 41 55.264 1.655 2.982 332 HD2 HIS 41 HD2 HIS 41 58.356 4.251 1.963 333 HE1 HIS 41 HE1 HIS 41 57.420 0.411 3.434 334 H LEU 42 HN LEU 42 54.239 6.265 3.726 335 HA LEU 42 HA LEU 42 52.264 7.609 2.136 336 1HB LEU 42 HB2 LEU 42 52.784 7.801 5.123 337 2HB LEU 42 HB1 LEU 42 51.278 8.214 4.301 338 HG LEU 42 HG LEU 42 52.552 5.464 4.406 339 1HD1 LEU 42 HD11 LEU 42 51.301 5.084 6.232 340 2HD1 LEU 42 HD12 LEU 42 49.851 5.653 5.406 341 3HD1 LEU 42 HD13 LEU 42 50.892 6.797 6.251 342 1HD2 LEU 42 HD21 LEU 42 51.432 5.219 2.441 343 2HD2 LEU 42 HD22 LEU 42 50.430 6.641 2.718 344 3HD2 LEU 42 HD23 LEU 42 50.012 5.108 3.478 345 H ASP 43 HN ASP 43 55.074 8.646 3.934 346 HA ASP 43 HA ASP 43 54.630 11.427 4.026 347 1HB ASP 43 HB2 ASP 43 57.212 9.866 3.780 348 2HB ASP 43 HB1 ASP 43 57.138 11.596 4.115 349 H LYS 44 HN LYS 44 55.889 9.338 1.536 350 HA LYS 44 HA LYS 44 55.270 10.034 -0.804 351 1HB LYS 44 HB2 LYS 44 54.882 12.408 -0.212 352 2HB LYS 44 HB1 LYS 44 56.619 12.621 0.034 353 1HG LYS 44 HG2 LYS 44 56.161 13.392 -2.175 354 2HG LYS 44 HG1 LYS 44 56.888 11.796 -2.374 355 1HD LYS 44 HD2 LYS 44 54.767 10.768 -2.752 356 2HD LYS 44 HD1 LYS 44 53.898 12.205 -2.218 357 1HE LYS 44 HE2 LYS 44 55.529 13.153 -4.263 358 2HE LYS 44 HE1 LYS 44 55.040 11.564 -4.846 359 1HZ LYS 44 HZ1 LYS 44 53.553 13.872 -4.913 360 2HZ LYS 44 HZ2 LYS 44 52.859 12.954 -3.663 361 3HZ LYS 44 HZ3 LYS 44 52.996 12.300 -5.224 362 H LYS 45 HN LYS 45 56.824 8.219 -0.377 363 HA LYS 45 HA LYS 45 59.666 8.698 -0.410 364 1HB LYS 45 HB2 LYS 45 58.594 6.496 0.197 365 2HB LYS 45 HB1 LYS 45 58.227 6.270 -1.516 366 1HG LYS 45 HG2 LYS 45 60.657 6.517 -2.042 367 2HG LYS 45 HG1 LYS 45 60.987 6.633 -0.310 368 1HD LYS 45 HD2 LYS 45 59.919 4.396 0.007 369 2HD LYS 45 HD1 LYS 45 59.749 4.268 -1.744 370 1HE LYS 45 HE2 LYS 45 62.363 4.594 -0.240 371 2HE LYS 45 HE1 LYS 45 61.783 3.106 -0.987 372 1HZ LYS 45 HZ1 LYS 45 63.324 4.966 -2.201 373 2HZ LYS 45 HZ2 LYS 45 61.770 5.363 -2.765 374 3HZ LYS 45 HZ3 LYS 45 62.389 3.799 -3.002 375 H GLN 46 HN GLN 46 61.097 8.724 -2.227 376 HA GLN 46 HA GLN 46 60.218 10.063 -4.525 377 1HB GLN 46 HB2 GLN 46 62.626 9.613 -3.839 378 2HB GLN 46 HB1 GLN 46 62.433 7.990 -4.499 379 1HG GLN 46 HG2 GLN 46 61.785 9.014 -6.689 380 2HG GLN 46 HG1 GLN 46 62.153 10.600 -6.009 381 1HE2 GLN 46 HE21 GLN 46 64.334 11.225 -5.896 382 2HE2 GLN 46 HE22 GLN 46 65.631 10.245 -6.385 383 H ARG 47 HN ARG 47 60.401 6.567 -3.873 384 HA ARG 47 HA ARG 47 58.264 6.161 -5.825 385 1HB ARG 47 HB2 ARG 47 60.984 4.896 -6.235 386 2HB ARG 47 HB1 ARG 47 59.516 4.384 -7.069 387 1HG ARG 47 HG2 ARG 47 59.245 6.715 -7.927 388 2HG ARG 47 HG1 ARG 47 60.793 7.128 -7.191 389 1HD ARG 47 HD2 ARG 47 61.849 5.285 -8.536 390 2HD ARG 47 HD1 ARG 47 60.308 5.089 -9.374 391 HE ARG 47 HE ARG 47 60.743 7.729 -9.750 392 1HH1 ARG 47 HH21 ARG 47 62.819 4.982 -9.948 393 2HH1 ARG 47 HH22 ARG 47 63.847 5.678 -11.155 394 1HH2 ARG 47 HH11 ARG 47 62.074 8.654 -11.325 395 2HH2 ARG 47 HH12 ARG 47 63.425 7.758 -11.934 396 H PHE 48 HN PHE 48 56.896 5.007 -4.546 397 HA PHE 48 HA PHE 48 58.062 2.746 -2.969 398 1HB PHE 48 HB2 PHE 48 56.806 4.603 -1.701 399 2HB PHE 48 HB1 PHE 48 55.352 4.039 -2.515 400 HD1 PHE 48 HD1 PHE 48 54.008 2.820 -1.061 401 HD2 PHE 48 HD2 PHE 48 58.269 2.281 -0.906 402 HE1 PHE 48 HE1 PHE 48 53.727 1.029 0.635 403 HE2 PHE 48 HE2 PHE 48 57.983 0.493 0.778 404 HZ PHE 48 HZ PHE 48 55.721 -0.141 1.549 405 H HIS 49 HN HIS 49 57.415 0.681 -3.679 406 HA HIS 49 HA HIS 49 55.396 0.723 -5.896 407 1HB HIS 49 HB2 HIS 49 57.764 -1.097 -5.450 408 2HB HIS 49 HB1 HIS 49 56.634 -1.240 -6.783 409 HD1 HIS 49 HD1 HIS 49 56.369 1.274 -8.104 410 HD2 HIS 49 HD2 HIS 49 59.947 0.386 -6.153 411 HE1 HIS 49 HE1 HIS 49 58.119 2.823 -9.081 412 H ASN 50 HN ASN 50 53.792 -0.763 -6.009 413 HA ASN 50 HA ASN 50 53.484 -2.602 -3.678 414 1HB ASN 50 HB2 ASN 50 51.696 -0.869 -3.959 415 2HB ASN 50 HB1 ASN 50 51.323 -1.568 -5.513 416 1HD2 ASN 50 HD21 ASN 50 51.688 -2.622 -2.087 417 2HD2 ASN 50 HD22 ASN 50 50.444 -3.773 -2.161 418 H ILE 51 HN ILE 51 53.585 -4.708 -4.096 419 HA ILE 51 HA ILE 51 53.249 -5.665 -6.912 420 HB ILE 51 HB ILE 51 54.660 -7.060 -4.614 421 1HG1 ILE 51 HG12 ILE 51 55.982 -5.122 -5.095 422 2HG1 ILE 51 HG11 ILE 51 56.749 -6.461 -5.948 423 1HG2 ILE 51 HG21 ILE 51 53.646 -8.179 -6.843 424 2HG2 ILE 51 HG22 ILE 51 55.137 -8.748 -6.093 425 3HG2 ILE 51 HG23 ILE 51 55.207 -7.656 -7.475 426 1HD1 ILE 51 HD11 ILE 51 55.134 -4.189 -7.060 427 2HD1 ILE 51 HD12 ILE 51 55.184 -5.725 -7.928 428 3HD1 ILE 51 HD13 ILE 51 56.676 -4.842 -7.614 429 H ARG 52 HN ARG 52 51.601 -7.246 -7.208 430 HA ARG 52 HA ARG 52 49.546 -7.345 -5.276 431 1HB ARG 52 HB2 ARG 52 49.278 -7.974 -7.686 432 2HB ARG 52 HB1 ARG 52 50.161 -9.463 -7.361 433 1HG ARG 52 HG2 ARG 52 47.864 -10.068 -7.235 434 2HG ARG 52 HG1 ARG 52 48.397 -9.938 -5.561 435 1HD ARG 52 HD2 ARG 52 47.468 -7.629 -5.466 436 2HD ARG 52 HD1 ARG 52 46.894 -7.814 -7.122 437 HE ARG 52 HE ARG 52 45.203 -9.303 -6.326 438 1HH1 ARG 52 HH21 ARG 52 47.489 -8.360 -3.924 439 2HH1 ARG 52 HH22 ARG 52 46.555 -8.977 -2.601 440 1HH2 ARG 52 HH11 ARG 52 43.971 -10.118 -4.615 441 2HH2 ARG 52 HH12 ARG 52 44.563 -9.972 -2.993 442 H GLY 53 HN GLY 53 49.606 -8.221 -3.317 443 1HA GLY 53 HA2 GLY 53 49.712 -10.068 -1.797 444 2HA GLY 53 HA1 GLY 53 50.765 -10.913 -2.933 445 H ARG 54 HN ARG 54 52.339 -8.272 -3.183 446 HA ARG 54 HA ARG 54 53.680 -8.299 -0.524 447 1HB ARG 54 HB2 ARG 54 54.831 -9.916 -2.027 448 2HB ARG 54 HB1 ARG 54 55.145 -8.602 -3.157 449 1HG ARG 54 HG2 ARG 54 56.361 -7.386 -1.349 450 2HG ARG 54 HG1 ARG 54 56.124 -8.781 -0.295 451 1HD ARG 54 HD2 ARG 54 57.580 -8.814 -2.956 452 2HD ARG 54 HD1 ARG 54 58.345 -8.859 -1.368 453 HE ARG 54 HE ARG 54 56.636 -11.012 -1.278 454 1HH1 ARG 54 HH21 ARG 54 59.000 -9.853 -3.500 455 2HH1 ARG 54 HH22 ARG 54 59.432 -11.431 -4.071 456 1HH2 ARG 54 HH11 ARG 54 57.181 -13.079 -2.012 457 2HH2 ARG 54 HH12 ARG 54 58.401 -13.257 -3.229 458 H TRP 55 HN TRP 55 54.691 -6.347 0.033 459 HA TRP 55 HA TRP 55 54.231 -4.079 -1.865 460 1HB TRP 55 HB2 TRP 55 53.600 -4.410 0.908 461 2HB TRP 55 HB1 TRP 55 54.848 -3.167 0.787 462 HD1 TRP 55 HD1 TRP 55 51.200 -3.618 0.423 463 HE1 TRP 55 HE1 TRP 55 50.153 -1.565 -0.737 464 HE3 TRP 55 HE3 TRP 55 55.423 -1.332 -1.250 465 HZ2 TRP 55 HZ2 TRP 55 51.021 0.745 -2.215 466 HZ3 TRP 55 HZ3 TRP 55 55.294 0.788 -2.503 467 HH2 TRP 55 HH2 TRP 55 53.113 1.827 -3.000 468 H THR 56 HN THR 56 56.072 -2.711 -2.354 469 HA THR 56 HA THR 56 58.600 -3.595 -1.038 470 HB THR 56 HB THR 56 59.777 -3.689 -3.123 471 HG1 THR 56 HG1 THR 56 57.444 -2.461 -4.094 472 1HG2 THR 56 HG21 THR 56 58.241 -5.287 -4.453 473 2HG2 THR 56 HG22 THR 56 57.072 -5.017 -3.160 474 3HG2 THR 56 HG23 THR 56 58.642 -5.731 -2.795 475 H GLY 57 HN GLY 57 60.457 -2.046 -1.485 476 1HA GLY 57 HA2 GLY 57 61.284 0.206 -1.774 477 2HA GLY 57 HA1 GLY 57 59.612 0.790 -1.824 478 H ARG 58 HN ARG 58 59.862 -1.532 0.388 479 HA ARG 58 HA ARG 58 59.781 0.299 2.700 480 1HB ARG 58 HB2 ARG 58 58.708 -1.618 3.749 481 2HB ARG 58 HB1 ARG 58 57.960 -1.298 2.182 482 1HG ARG 58 HG2 ARG 58 59.680 -2.982 1.233 483 2HG ARG 58 HG1 ARG 58 59.919 -3.474 2.915 484 1HD ARG 58 HD2 ARG 58 57.465 -3.799 3.086 485 2HD ARG 58 HD1 ARG 58 57.335 -3.500 1.361 486 HE ARG 58 HE ARG 58 59.310 -5.551 1.887 487 1HH1 ARG 58 HH21 ARG 58 55.925 -4.917 1.710 488 2HH1 ARG 58 HH22 ARG 58 55.514 -6.525 1.214 489 1HH2 ARG 58 HH11 ARG 58 58.785 -7.654 1.249 490 2HH2 ARG 58 HH12 ARG 58 57.134 -8.072 0.951 491 H CYS 59 HN CYS 59 61.255 -2.865 1.982 492 HA CYS 59 HA CYS 59 62.881 -2.768 4.291 493 1HB CYS 59 HB2 CYS 59 62.236 -4.769 2.758 494 2HB CYS 59 HB1 CYS 59 63.685 -4.310 1.860 495 H MET 60 HN MET 60 63.302 -1.478 1.039 496 HA MET 60 HA MET 60 66.109 -1.049 1.170 497 1HB MET 60 HB2 MET 60 63.969 0.733 -0.043 498 2HB MET 60 HB1 MET 60 65.702 0.903 -0.330 499 1HG MET 60 HG2 MET 60 63.987 -1.496 -1.022 500 2HG MET 60 HG1 MET 60 64.729 -0.365 -2.147 501 1HE MET 60 HE1 MET 60 68.349 -0.875 -2.110 502 2HE MET 60 HE2 MET 60 67.855 -0.059 -0.628 503 3HE MET 60 HE3 MET 60 67.000 0.270 -2.133 504 H SER 61 HN SER 61 63.367 0.623 2.627 505 HA SER 61 HA SER 61 64.787 2.868 3.666 506 1HB SER 61 HB2 SER 61 62.550 1.324 5.028 507 2HB SER 61 HB1 SER 61 63.021 2.989 5.355 508 HG SER 61 HG SER 61 61.202 2.323 3.734 509 H CYS 62 HN CYS 62 64.480 -0.507 4.661 510 HA CYS 62 HA CYS 62 65.847 -0.275 7.168 511 1HB CYS 62 HB2 CYS 62 65.743 -2.670 5.279 512 2HB CYS 62 HB1 CYS 62 66.304 -2.690 6.924 513 H SER 63 HN SER 63 66.914 -0.280 3.835 514 HA SER 63 HA SER 63 69.747 -0.330 4.828 515 1HB SER 63 HB2 SER 63 69.136 -2.150 3.228 516 2HB SER 63 HB1 SER 63 68.732 -0.921 2.033 517 HG SER 63 HG SER 63 71.194 -1.779 2.974 518 H ARG 64 HN ARG 64 71.099 1.379 4.240 519 HA ARG 64 HA ARG 64 69.810 3.573 2.668 520 1HB ARG 64 HB2 ARG 64 71.637 3.794 5.080 521 2HB ARG 64 HB1 ARG 64 71.098 5.161 4.102 522 1HG ARG 64 HG2 ARG 64 68.731 4.524 4.596 523 2HG ARG 64 HG1 ARG 64 69.332 3.263 5.673 524 1HD ARG 64 HD2 ARG 64 69.833 6.241 5.955 525 2HD ARG 64 HD1 ARG 64 68.777 5.262 6.973 526 HE ARG 64 HE ARG 64 71.726 5.273 7.046 527 1HH1 ARG 64 HH21 ARG 64 68.719 3.831 7.918 528 2HH1 ARG 64 HH22 ARG 64 69.370 2.973 9.274 529 1HH2 ARG 64 HH11 ARG 64 72.596 4.163 8.812 530 2HH2 ARG 64 HH12 ARG 64 71.567 3.162 9.782 531 H SER 65 HN SER 65 71.213 4.774 1.296 532 HA SER 65 HA SER 65 73.292 3.289 0.036 533 1HB SER 65 HB2 SER 65 73.741 5.309 -1.224 534 2HB SER 65 HB1 SER 65 71.999 5.181 -1.000 535 HG SER 65 HG SER 65 72.477 6.508 0.982 536 H SER 66 HN SER 66 73.325 5.482 2.764 537 HA SER 66 HA SER 66 76.101 6.137 2.773 538 1HB SER 66 HB2 SER 66 75.791 6.685 5.115 539 2HB SER 66 HB1 SER 66 74.341 7.175 4.245 540 HG SER 66 HG SER 66 73.704 4.850 4.844 541 H ARG 67 HN ARG 67 74.372 3.234 3.670 542 HA ARG 67 HA ARG 67 75.974 1.849 5.390 543 1HB ARG 67 HB2 ARG 67 75.417 -0.200 4.202 544 2HB ARG 67 HB1 ARG 67 74.030 0.888 4.127 545 1HG ARG 67 HG2 ARG 67 74.905 1.684 1.883 546 2HG ARG 67 HG1 ARG 67 76.072 0.363 1.954 547 1HD ARG 67 HD2 ARG 67 74.174 -1.242 2.216 548 2HD ARG 67 HD1 ARG 67 73.051 0.102 2.002 549 HE ARG 67 HE ARG 67 74.807 0.146 -0.211 550 1HH1 ARG 67 HH21 ARG 67 72.468 -1.906 1.273 551 2HH1 ARG 67 HH22 ARG 67 71.976 -2.644 -0.214 552 1HH2 ARG 67 HH11 ARG 67 74.179 -0.806 -2.162 553 2HH2 ARG 67 HH12 ARG 67 72.945 -2.021 -2.161 Start of MODEL 3 1 H ALA 1 HT1 ALA 1 54.354 -5.113 -7.447 2 HA ALA 1 HA ALA 1 55.686 -3.476 -6.019 3 1HB ALA 1 HB1 ALA 1 58.078 -3.625 -7.372 4 2HB ALA 1 HB2 ALA 1 57.719 -5.326 -7.077 5 3HB ALA 1 HB3 ALA 1 57.826 -4.199 -5.725 6 H MET 2 HN MET 2 57.185 -4.179 -9.133 7 HA MET 2 HA MET 2 56.429 -1.693 -10.293 8 1HB MET 2 HB2 MET 2 58.223 -3.236 -11.181 9 2HB MET 2 HB1 MET 2 56.941 -4.290 -11.782 10 1HG MET 2 HG2 MET 2 56.027 -2.332 -13.067 11 2HG MET 2 HG1 MET 2 57.448 -1.409 -12.577 12 1HE MET 2 HE1 MET 2 59.605 -2.251 -12.584 13 2HE MET 2 HE2 MET 2 60.353 -2.616 -14.136 14 3HE MET 2 HE3 MET 2 59.975 -3.925 -13.020 15 H SER 3 HN SER 3 54.815 -4.818 -10.071 16 HA SER 3 HA SER 3 52.788 -4.435 -12.006 17 1HB SER 3 HB2 SER 3 52.549 -5.760 -9.284 18 2HB SER 3 HB1 SER 3 51.462 -6.011 -10.651 19 HG SER 3 HG SER 3 53.592 -7.366 -10.131 20 H TYR 4 HN TYR 4 52.903 -3.373 -8.572 21 HA TYR 4 HA TYR 4 50.994 -1.256 -9.352 22 1HB TYR 4 HB2 TYR 4 49.598 -3.130 -8.494 23 2HB TYR 4 HB1 TYR 4 50.453 -3.034 -6.958 24 HD1 TYR 4 HD1 TYR 4 50.021 -1.234 -5.395 25 HD2 TYR 4 HD2 TYR 4 48.267 -1.230 -9.309 26 HE1 TYR 4 HE1 TYR 4 48.553 0.643 -4.732 27 HE2 TYR 4 HE2 TYR 4 46.794 0.642 -8.652 28 HH TYR 4 HH TYR 4 45.866 1.482 -6.189 29 H SER 5 HN SER 5 51.464 0.683 -8.287 30 HA SER 5 HA SER 5 53.381 0.506 -5.993 31 1HB SER 5 HB2 SER 5 53.549 2.411 -8.304 32 2HB SER 5 HB1 SER 5 54.653 2.363 -6.946 33 HG SER 5 HG SER 5 55.702 0.954 -8.098 34 H LEU 6 HN LEU 6 53.292 2.267 -4.507 35 HA LEU 6 HA LEU 6 50.885 4.031 -4.807 36 1HB LEU 6 HB2 LEU 6 50.905 2.459 -2.832 37 2HB LEU 6 HB1 LEU 6 52.361 3.259 -2.266 38 HG LEU 6 HG LEU 6 51.049 5.424 -2.324 39 1HD1 LEU 6 HD11 LEU 6 48.985 5.348 -3.239 40 2HD1 LEU 6 HD12 LEU 6 48.479 4.298 -1.916 41 3HD1 LEU 6 HD13 LEU 6 49.095 3.596 -3.411 42 1HD2 LEU 6 HD21 LEU 6 51.217 4.858 -0.130 43 2HD2 LEU 6 HD22 LEU 6 50.889 3.156 -0.462 44 3HD2 LEU 6 HD23 LEU 6 49.553 4.295 -0.284 45 H TYR 7 HN TYR 7 51.533 6.094 -5.380 46 HA TYR 7 HA TYR 7 54.276 6.915 -5.313 47 1HB TYR 7 HB2 TYR 7 52.567 7.878 -6.872 48 2HB TYR 7 HB1 TYR 7 51.885 8.749 -5.493 49 HD1 TYR 7 HD1 TYR 7 54.664 8.531 -7.848 50 HD2 TYR 7 HD2 TYR 7 53.293 10.398 -4.233 51 HE1 TYR 7 HE1 TYR 7 56.481 10.207 -8.026 52 HE2 TYR 7 HE2 TYR 7 55.096 12.091 -4.427 53 HH TYR 7 HH TYR 7 57.735 11.772 -6.096 54 H GLY 8 HN GLY 8 51.545 7.524 -3.148 55 1HA GLY 8 HA2 GLY 8 51.947 7.907 -0.760 56 2HA GLY 8 HA1 GLY 8 53.462 8.706 -1.190 57 H THR 9 HN THR 9 51.071 9.473 -3.405 58 HA THR 9 HA THR 9 50.846 12.238 -2.466 59 HB THR 9 HB THR 9 49.485 12.603 -4.480 60 HG1 THR 9 HG1 THR 9 49.803 10.230 -5.647 61 1HG2 THR 9 HG21 THR 9 51.650 10.894 -5.558 62 2HG2 THR 9 HG22 THR 9 52.128 12.172 -4.442 63 3HG2 THR 9 HG23 THR 9 51.252 12.571 -5.914 64 H THR 10 HN THR 10 48.456 13.148 -2.781 65 HA THR 10 HA THR 10 46.900 12.548 -0.582 66 HB THR 10 HB THR 10 45.830 13.273 -3.331 67 HG1 THR 10 HG1 THR 10 46.154 15.406 -2.597 68 1HG2 THR 10 HG21 THR 10 44.625 14.420 -0.898 69 2HG2 THR 10 HG22 THR 10 44.387 12.683 -1.095 70 3HG2 THR 10 HG23 THR 10 43.852 13.793 -2.352 71 H LEU 11 HN LEU 11 46.946 10.874 -3.679 72 HA LEU 11 HA LEU 11 44.664 9.236 -3.380 73 1HB LEU 11 HB2 LEU 11 47.318 8.554 -4.630 74 2HB LEU 11 HB1 LEU 11 45.796 7.720 -4.936 75 HG LEU 11 HG LEU 11 46.440 10.613 -5.566 76 1HD1 LEU 11 HD11 LEU 11 45.566 8.426 -7.457 77 2HD1 LEU 11 HD12 LEU 11 47.267 8.693 -7.077 78 3HD1 LEU 11 HD13 LEU 11 46.326 9.969 -7.847 79 1HD2 LEU 11 HD21 LEU 11 43.870 9.070 -5.456 80 2HD2 LEU 11 HD22 LEU 11 44.070 10.292 -6.712 81 3HD2 LEU 11 HD23 LEU 11 44.184 10.748 -5.012 82 H GLU 12 HN GLU 12 47.866 8.949 -1.932 83 HA GLU 12 HA GLU 12 47.785 6.242 -1.060 84 1HB GLU 12 HB2 GLU 12 49.534 6.841 0.432 85 2HB GLU 12 HB1 GLU 12 49.698 8.003 -0.887 86 1HG GLU 12 HG2 GLU 12 48.279 9.609 0.439 87 2HG GLU 12 HG1 GLU 12 48.315 8.470 1.778 88 H GLN 13 HN GLN 13 46.070 9.024 0.018 89 HA GLN 13 HA GLN 13 45.522 8.458 2.712 90 1HB GLN 13 HB2 GLN 13 43.802 9.709 0.558 91 2HB GLN 13 HB1 GLN 13 43.499 9.851 2.294 92 1HG GLN 13 HG2 GLN 13 45.646 10.913 2.643 93 2HG GLN 13 HG1 GLN 13 46.099 10.654 0.962 94 1HE2 GLN 13 HE21 GLN 13 46.344 13.091 0.986 95 2HE2 GLN 13 HE22 GLN 13 44.966 14.011 0.654 96 H GLN 14 HN GLN 14 43.875 7.149 -0.207 97 HA GLN 14 HA GLN 14 41.725 5.888 1.196 98 1HB GLN 14 HB2 GLN 14 41.942 6.056 -1.318 99 2HB GLN 14 HB1 GLN 14 43.173 4.795 -1.240 100 1HG GLN 14 HG2 GLN 14 41.550 3.260 -0.200 101 2HG GLN 14 HG1 GLN 14 40.316 4.520 -0.258 102 1HE2 GLN 14 HE21 GLN 14 39.691 2.205 -1.618 103 2HE2 GLN 14 HE22 GLN 14 39.823 2.436 -3.295 104 H TYR 15 HN TYR 15 45.009 4.859 0.449 105 HA TYR 15 HA TYR 15 44.854 2.255 1.656 106 1HB TYR 15 HB2 TYR 15 47.211 4.081 1.086 107 2HB TYR 15 HB1 TYR 15 47.346 2.383 1.550 108 HD1 TYR 15 HD1 TYR 15 46.858 0.619 -0.006 109 HD2 TYR 15 HD2 TYR 15 46.119 4.706 -1.074 110 HE1 TYR 15 HE1 TYR 15 46.451 -0.080 -2.340 111 HE2 TYR 15 HE2 TYR 15 45.722 4.014 -3.423 112 HH TYR 15 HH TYR 15 45.346 0.707 -4.318 113 H ASN 16 HN ASN 16 45.573 5.479 2.858 114 HA ASN 16 HA ASN 16 46.860 4.866 5.277 115 1HB ASN 16 HB2 ASN 16 46.517 7.150 4.332 116 2HB ASN 16 HB1 ASN 16 44.833 7.073 4.853 117 1HD2 ASN 16 HD21 ASN 16 48.180 6.842 6.159 118 2HD2 ASN 16 HD22 ASN 16 47.782 7.439 7.697 119 H LYS 17 HN LYS 17 43.300 4.951 4.712 120 HA LYS 17 HA LYS 17 42.655 4.605 7.470 121 1HB LYS 17 HB2 LYS 17 40.667 3.213 5.976 122 2HB LYS 17 HB1 LYS 17 40.560 4.791 6.732 123 1HG LYS 17 HG2 LYS 17 41.037 5.934 4.775 124 2HG LYS 17 HG1 LYS 17 41.932 4.597 4.070 125 1HD LYS 17 HD2 LYS 17 39.696 4.986 2.998 126 2HD LYS 17 HD1 LYS 17 39.882 3.365 3.643 127 1HE LYS 17 HE2 LYS 17 37.698 4.227 4.272 128 2HE LYS 17 HE1 LYS 17 38.698 4.082 5.714 129 1HZ LYS 17 HZ1 LYS 17 37.803 6.488 4.306 130 2HZ LYS 17 HZ2 LYS 17 39.311 6.533 5.085 131 3HZ LYS 17 HZ3 LYS 17 37.904 6.187 5.971 132 HA PRO 18 HA PRO 18 42.648 -0.103 6.867 133 1HB PRO 18 HB2 PRO 18 42.993 -1.224 4.452 134 2HB PRO 18 HB1 PRO 18 41.444 -0.475 4.896 135 1HG PRO 18 HG2 PRO 18 43.663 0.603 3.222 136 2HG PRO 18 HG1 PRO 18 41.911 0.689 2.964 137 1HD PRO 18 HD2 PRO 18 43.418 2.738 4.056 138 2HD PRO 18 HD1 PRO 18 41.684 2.517 4.299 139 H LEU 19 HN LEU 19 45.199 1.844 5.837 140 HA LEU 19 HA LEU 19 47.132 0.123 4.874 141 1HB LEU 19 HB2 LEU 19 47.512 2.545 5.295 142 2HB LEU 19 HB1 LEU 19 47.657 2.193 7.018 143 HG LEU 19 HG LEU 19 49.500 0.567 6.451 144 1HD1 LEU 19 HD11 LEU 19 48.888 1.687 3.729 145 2HD1 LEU 19 HD12 LEU 19 49.224 0.020 4.194 146 3HD1 LEU 19 HD13 LEU 19 50.537 1.194 4.114 147 1HD2 LEU 19 HD21 LEU 19 49.527 3.450 6.434 148 2HD2 LEU 19 HD22 LEU 19 50.795 2.843 5.366 149 3HD2 LEU 19 HD23 LEU 19 50.747 2.344 7.058 150 H SER 20 HN SER 20 46.224 0.450 8.362 151 HA SER 20 HA SER 20 48.143 -1.562 9.166 152 1HB SER 20 HB2 SER 20 46.840 -1.740 11.210 153 2HB SER 20 HB1 SER 20 46.878 -0.038 10.757 154 HG SER 20 HG SER 20 44.795 -0.116 10.568 155 H ASP 21 HN ASP 21 44.872 -1.523 7.931 156 HA ASP 21 HA ASP 21 44.348 -4.354 8.082 157 1HB ASP 21 HB2 ASP 21 43.127 -2.175 6.368 158 2HB ASP 21 HB1 ASP 21 42.530 -3.827 6.428 159 H LEU 22 HN LEU 22 45.907 -2.259 5.730 160 HA LEU 22 HA LEU 22 45.955 -4.246 3.614 161 1HB LEU 22 HB2 LEU 22 47.679 -1.774 3.920 162 2HB LEU 22 HB1 LEU 22 47.420 -2.692 2.440 163 HG LEU 22 HG LEU 22 45.325 -1.144 3.976 164 1HD1 LEU 22 HD11 LEU 22 47.122 -0.507 1.809 165 2HD1 LEU 22 HD12 LEU 22 46.027 0.554 2.697 166 3HD1 LEU 22 HD13 LEU 22 45.438 -0.352 1.302 167 1HD2 LEU 22 HD21 LEU 22 43.968 -1.752 1.853 168 2HD2 LEU 22 HD22 LEU 22 44.136 -2.979 3.109 169 3HD2 LEU 22 HD23 LEU 22 45.144 -3.054 1.662 170 H LEU 23 HN LEU 23 47.736 -5.400 2.871 171 HA LEU 23 HA LEU 23 49.458 -6.518 4.912 172 1HB LEU 23 HB2 LEU 23 50.373 -7.754 2.899 173 2HB LEU 23 HB1 LEU 23 48.618 -7.870 3.070 174 HG LEU 23 HG LEU 23 49.334 -5.481 1.580 175 1HD1 LEU 23 HD11 LEU 23 50.142 -6.678 -0.462 176 2HD1 LEU 23 HD12 LEU 23 50.349 -8.126 0.523 177 3HD1 LEU 23 HD13 LEU 23 51.306 -6.684 0.864 178 1HD2 LEU 23 HD21 LEU 23 47.722 -6.318 0.014 179 2HD2 LEU 23 HD22 LEU 23 47.124 -6.662 1.638 180 3HD2 LEU 23 HD23 LEU 23 47.848 -7.951 0.675 181 H ILE 24 HN ILE 24 51.190 -5.153 5.637 182 HA ILE 24 HA ILE 24 52.860 -3.992 3.428 183 HB ILE 24 HB ILE 24 52.670 -2.948 6.261 184 1HG1 ILE 24 HG12 ILE 24 50.510 -2.555 5.254 185 2HG1 ILE 24 HG11 ILE 24 51.403 -1.040 5.161 186 1HG2 ILE 24 HG21 ILE 24 54.391 -1.636 5.657 187 2HG2 ILE 24 HG22 ILE 24 53.498 -1.057 4.255 188 3HG2 ILE 24 HG23 ILE 24 54.489 -2.509 4.129 189 1HD1 ILE 24 HD11 ILE 24 52.160 -2.035 2.812 190 2HD1 ILE 24 HD12 ILE 24 50.635 -1.170 2.990 191 3HD1 ILE 24 HD13 ILE 24 50.649 -2.930 2.976 192 H ARG 25 HN ARG 25 54.857 -4.911 3.279 193 HA ARG 25 HA ARG 25 56.326 -5.664 5.706 194 1HB ARG 25 HB2 ARG 25 55.538 -7.747 3.660 195 2HB ARG 25 HB1 ARG 25 56.821 -7.978 4.848 196 1HG ARG 25 HG2 ARG 25 55.186 -7.546 6.671 197 2HG ARG 25 HG1 ARG 25 53.906 -7.399 5.461 198 1HD ARG 25 HD2 ARG 25 54.502 -9.728 4.678 199 2HD ARG 25 HD1 ARG 25 55.583 -9.848 6.066 200 HE ARG 25 HE ARG 25 53.037 -9.072 7.041 201 1HH1 ARG 25 HH21 ARG 25 54.603 -11.683 5.423 202 2HH1 ARG 25 HH22 ARG 25 53.557 -12.895 6.085 203 1HH2 ARG 25 HH11 ARG 25 51.660 -10.639 7.912 204 2HH2 ARG 25 HH12 ARG 25 51.890 -12.305 7.493 205 H CYS 26 HN CYS 26 58.540 -6.491 5.138 206 HA CYS 26 HA CYS 26 59.905 -4.734 3.326 207 1HB CYS 26 HB2 CYS 26 60.519 -6.880 5.211 208 2HB CYS 26 HB1 CYS 26 61.527 -6.970 3.776 209 H ILE 27 HN ILE 27 60.781 -5.249 1.273 210 HA ILE 27 HA ILE 27 59.341 -7.096 -0.377 211 HB ILE 27 HB ILE 27 60.833 -5.002 -1.014 212 1HG1 ILE 27 HG12 ILE 27 61.205 -7.421 -2.769 213 2HG1 ILE 27 HG11 ILE 27 59.601 -6.741 -2.528 214 1HG2 ILE 27 HG21 ILE 27 63.097 -5.425 -1.434 215 2HG2 ILE 27 HG22 ILE 27 62.843 -7.160 -1.575 216 3HG2 ILE 27 HG23 ILE 27 62.842 -6.406 0.012 217 1HD1 ILE 27 HD11 ILE 27 61.420 -4.582 -3.037 218 2HD1 ILE 27 HD12 ILE 27 60.054 -5.113 -4.020 219 3HD1 ILE 27 HD13 ILE 27 61.650 -5.812 -4.282 220 H ASN 28 HN ASN 28 62.164 -7.356 1.677 221 HA ASN 28 HA ASN 28 62.556 -10.165 0.689 222 1HB ASN 28 HB2 ASN 28 64.762 -9.751 0.323 223 2HB ASN 28 HB1 ASN 28 64.319 -8.055 0.392 224 1HD2 ASN 28 HD21 ASN 28 65.646 -6.916 1.799 225 2HD2 ASN 28 HD22 ASN 28 66.334 -7.540 3.220 226 H CYS 29 HN CYS 29 63.061 -7.999 3.503 227 HA CYS 29 HA CYS 29 63.824 -10.116 5.270 228 1HB CYS 29 HB2 CYS 29 62.439 -7.519 5.986 229 2HB CYS 29 HB1 CYS 29 63.418 -8.520 7.060 230 H GLN 30 HN GLN 30 60.691 -8.869 4.279 231 HA GLN 30 HA GLN 30 58.518 -9.665 4.696 232 1HB GLN 30 HB2 GLN 30 60.103 -12.197 5.138 233 2HB GLN 30 HB1 GLN 30 58.344 -12.149 5.208 234 1HG GLN 30 HG2 GLN 30 59.458 -12.775 2.964 235 2HG GLN 30 HG1 GLN 30 58.143 -11.611 2.928 236 1HE2 GLN 30 HE21 GLN 30 59.088 -9.217 3.290 237 2HE2 GLN 30 HE22 GLN 30 60.442 -8.851 2.349 238 H LYS 31 HN LYS 31 59.786 -8.343 6.862 239 HA LYS 31 HA LYS 31 58.656 -9.858 9.178 240 1HB LYS 31 HB2 LYS 31 60.850 -7.814 8.922 241 2HB LYS 31 HB1 LYS 31 59.954 -7.926 10.438 242 1HG LYS 31 HG2 LYS 31 60.481 -10.349 10.552 243 2HG LYS 31 HG1 LYS 31 61.423 -10.200 9.067 244 1HD LYS 31 HD2 LYS 31 63.133 -9.051 10.102 245 2HD LYS 31 HD1 LYS 31 62.061 -8.320 11.296 246 1HE LYS 31 HE2 LYS 31 61.877 -10.435 12.491 247 2HE LYS 31 HE1 LYS 31 62.835 -11.251 11.254 248 1HZ LYS 31 HZ1 LYS 31 63.760 -9.929 13.511 249 2HZ LYS 31 HZ2 LYS 31 64.214 -8.973 12.183 250 3HZ LYS 31 HZ3 LYS 31 64.682 -10.604 12.258 251 HA PRO 32 HA PRO 32 55.315 -6.952 9.370 252 1HB PRO 32 HB2 PRO 32 56.161 -6.301 12.170 253 2HB PRO 32 HB1 PRO 32 54.560 -6.771 11.560 254 1HG PRO 32 HG2 PRO 32 56.052 -8.498 12.886 255 2HG PRO 32 HG1 PRO 32 55.096 -9.014 11.496 256 1HD PRO 32 HD2 PRO 32 58.054 -8.581 11.691 257 2HD PRO 32 HD1 PRO 32 57.145 -9.773 10.732 258 H LEU 33 HN LEU 33 55.195 -4.734 8.849 259 HA LEU 33 HA LEU 33 57.785 -3.269 9.071 260 1HB LEU 33 HB2 LEU 33 56.515 -3.750 6.849 261 2HB LEU 33 HB1 LEU 33 55.395 -2.512 7.398 262 HG LEU 33 HG LEU 33 57.365 -0.941 7.627 263 1HD1 LEU 33 HD11 LEU 33 59.339 -2.116 7.686 264 2HD1 LEU 33 HD12 LEU 33 59.225 -2.014 5.925 265 3HD1 LEU 33 HD13 LEU 33 58.683 -3.465 6.762 266 1HD2 LEU 33 HD21 LEU 33 56.400 -2.154 5.069 267 2HD2 LEU 33 HD22 LEU 33 57.789 -1.084 4.975 268 3HD2 LEU 33 HD23 LEU 33 56.261 -0.486 5.629 269 H SER 34 HN SER 34 58.009 -1.728 10.459 270 HA SER 34 HA SER 34 56.054 -1.082 12.344 271 1HB SER 34 HB2 SER 34 58.770 -0.423 11.880 272 2HB SER 34 HB1 SER 34 57.908 1.108 11.995 273 HG SER 34 HG SER 34 57.924 -1.039 13.853 274 HA PRO 35 HA PRO 35 53.587 1.434 9.743 275 1HB PRO 35 HB2 PRO 35 52.274 2.822 11.755 276 2HB PRO 35 HB1 PRO 35 51.808 1.243 11.098 277 1HG PRO 35 HG2 PRO 35 53.188 1.884 13.616 278 2HG PRO 35 HG1 PRO 35 52.115 0.539 13.213 279 1HD PRO 35 HD2 PRO 35 54.838 0.315 13.424 280 2HD PRO 35 HD1 PRO 35 53.814 -0.781 12.467 281 H GLU 36 HN GLU 36 55.884 2.502 12.003 282 HA GLU 36 HA GLU 36 55.663 5.363 11.453 283 1HB GLU 36 HB2 GLU 36 58.006 3.691 12.434 284 2HB GLU 36 HB1 GLU 36 57.996 5.455 12.369 285 1HG GLU 36 HG2 GLU 36 56.046 3.748 13.946 286 2HG GLU 36 HG1 GLU 36 57.405 4.641 14.629 287 H GLU 37 HN GLU 37 57.423 2.635 10.169 288 HA GLU 37 HA GLU 37 58.939 4.076 8.190 289 1HB GLU 37 HB2 GLU 37 58.086 1.171 8.460 290 2HB GLU 37 HB1 GLU 37 59.274 1.755 7.287 291 1HG GLU 37 HG2 GLU 37 60.658 2.659 9.117 292 2HG GLU 37 HG1 GLU 37 59.477 2.100 10.298 293 H LYS 38 HN LYS 38 55.785 2.485 8.271 294 HA LYS 38 HA LYS 38 55.123 2.691 5.493 295 1HB LYS 38 HB2 LYS 38 53.313 2.922 7.929 296 2HB LYS 38 HB1 LYS 38 52.778 2.624 6.281 297 1HG LYS 38 HG2 LYS 38 54.066 0.507 6.269 298 2HG LYS 38 HG1 LYS 38 54.507 0.784 7.953 299 1HD LYS 38 HD2 LYS 38 51.997 0.957 8.446 300 2HD LYS 38 HD1 LYS 38 51.733 0.368 6.810 301 1HE LYS 38 HE2 LYS 38 53.506 -1.458 7.636 302 2HE LYS 38 HE1 LYS 38 52.769 -1.071 9.184 303 1HZ LYS 38 HZ1 LYS 38 50.588 -1.467 8.193 304 2HZ LYS 38 HZ2 LYS 38 51.568 -2.854 8.122 305 3HZ LYS 38 HZ3 LYS 38 51.324 -1.910 6.731 306 H GLN 39 HN GLN 39 54.867 4.726 8.323 307 HA GLN 39 HA GLN 39 53.386 6.832 7.214 308 1HB GLN 39 HB2 GLN 39 53.953 6.648 9.640 309 2HB GLN 39 HB1 GLN 39 55.606 7.136 9.254 310 1HG GLN 39 HG2 GLN 39 54.315 9.101 9.930 311 2HG GLN 39 HG1 GLN 39 54.715 9.212 8.210 312 1HE2 GLN 39 HE21 GLN 39 53.062 8.702 6.671 313 2HE2 GLN 39 HE22 GLN 39 51.423 8.707 7.075 314 H ARG 40 HN ARG 40 56.899 6.282 7.122 315 HA ARG 40 HA ARG 40 57.504 8.735 5.781 316 1HB ARG 40 HB2 ARG 40 59.216 7.156 6.729 317 2HB ARG 40 HB1 ARG 40 58.862 6.045 5.407 318 1HG ARG 40 HG2 ARG 40 59.497 7.807 3.779 319 2HG ARG 40 HG1 ARG 40 59.902 8.879 5.120 320 1HD ARG 40 HD2 ARG 40 61.549 7.175 5.923 321 2HD ARG 40 HD1 ARG 40 61.206 6.216 4.483 322 HE ARG 40 HE ARG 40 62.046 8.991 3.973 323 1HH1 ARG 40 HH21 ARG 40 62.848 5.656 4.316 324 2HH1 ARG 40 HH22 ARG 40 64.329 5.784 3.427 325 1HH2 ARG 40 HH11 ARG 40 63.976 9.179 2.813 326 2HH2 ARG 40 HH12 ARG 40 64.968 7.777 2.574 327 H HIS 41 HN HIS 41 56.495 5.528 4.658 328 HA HIS 41 HA HIS 41 56.663 6.109 1.854 329 1HB HIS 41 HB2 HIS 41 54.680 4.211 3.146 330 2HB HIS 41 HB1 HIS 41 55.328 4.142 1.514 331 HD1 HIS 41 HD1 HIS 41 55.809 1.712 3.278 332 HD2 HIS 41 HD2 HIS 41 58.430 4.944 3.151 333 HE1 HIS 41 HE1 HIS 41 58.040 0.865 4.115 334 H LEU 42 HN LEU 42 54.054 6.339 4.195 335 HA LEU 42 HA LEU 42 52.077 7.398 2.423 336 1HB LEU 42 HB2 LEU 42 52.380 7.724 5.409 337 2HB LEU 42 HB1 LEU 42 50.917 8.071 4.496 338 HG LEU 42 HG LEU 42 52.270 5.370 4.747 339 1HD1 LEU 42 HD11 LEU 42 49.531 5.448 5.584 340 2HD1 LEU 42 HD12 LEU 42 50.400 6.743 6.405 341 3HD1 LEU 42 HD13 LEU 42 50.959 5.078 6.553 342 1HD2 LEU 42 HD21 LEU 42 51.296 5.197 2.659 343 2HD2 LEU 42 HD22 LEU 42 50.093 6.441 3.005 344 3HD2 LEU 42 HD23 LEU 42 49.894 4.814 3.658 345 H ASP 43 HN ASP 43 54.614 8.973 4.380 346 HA ASP 43 HA ASP 43 53.512 11.566 4.215 347 1HB ASP 43 HB2 ASP 43 55.670 12.446 4.844 348 2HB ASP 43 HB1 ASP 43 55.385 10.967 5.753 349 H LYS 44 HN LYS 44 55.646 9.842 1.953 350 HA LYS 44 HA LYS 44 54.696 10.927 -0.388 351 1HB LYS 44 HB2 LYS 44 55.082 13.211 0.665 352 2HB LYS 44 HB1 LYS 44 56.799 12.875 0.589 353 1HG LYS 44 HG2 LYS 44 56.294 14.131 -1.358 354 2HG LYS 44 HG1 LYS 44 56.411 12.457 -1.912 355 1HD LYS 44 HD2 LYS 44 54.059 12.202 -2.013 356 2HD LYS 44 HD1 LYS 44 53.776 13.638 -1.029 357 1HE LYS 44 HE2 LYS 44 55.303 14.129 -3.512 358 2HE LYS 44 HE1 LYS 44 53.650 13.575 -3.773 359 1HZ LYS 44 HZ1 LYS 44 52.775 15.421 -2.841 360 2HZ LYS 44 HZ2 LYS 44 54.235 16.105 -3.375 361 3HZ LYS 44 HZ3 LYS 44 54.058 15.635 -1.752 362 H LYS 45 HN LYS 45 55.884 8.681 -0.348 363 HA LYS 45 HA LYS 45 58.800 8.896 -0.739 364 1HB LYS 45 HB2 LYS 45 57.720 6.836 0.211 365 2HB LYS 45 HB1 LYS 45 57.021 6.527 -1.376 366 1HG LYS 45 HG2 LYS 45 59.313 6.527 -2.346 367 2HG LYS 45 HG1 LYS 45 59.975 6.752 -0.726 368 1HD LYS 45 HD2 LYS 45 58.821 4.639 -0.023 369 2HD LYS 45 HD1 LYS 45 58.349 4.394 -1.704 370 1HE LYS 45 HE2 LYS 45 61.001 4.836 -2.029 371 2HE LYS 45 HE1 LYS 45 61.010 4.099 -0.428 372 1HZ LYS 45 HZ1 LYS 45 60.678 2.851 -2.915 373 2HZ LYS 45 HZ2 LYS 45 59.243 2.652 -2.028 374 3HZ LYS 45 HZ3 LYS 45 60.726 2.138 -1.377 375 H GLN 46 HN GLN 46 59.829 9.044 -2.755 376 HA GLN 46 HA GLN 46 58.392 10.067 -4.957 377 1HB GLN 46 HB2 GLN 46 60.912 10.080 -4.667 378 2HB GLN 46 HB1 GLN 46 60.910 8.386 -5.159 379 1HG GLN 46 HG2 GLN 46 59.776 9.048 -7.285 380 2HG GLN 46 HG1 GLN 46 59.922 10.737 -6.799 381 1HE2 GLN 46 HE21 GLN 46 61.406 8.522 -8.739 382 2HE2 GLN 46 HE22 GLN 46 63.003 9.093 -8.670 383 H ARG 47 HN ARG 47 59.255 6.704 -4.142 384 HA ARG 47 HA ARG 47 56.949 5.836 -5.744 385 1HB ARG 47 HB2 ARG 47 59.760 4.890 -6.353 386 2HB ARG 47 HB1 ARG 47 58.298 4.104 -6.953 387 1HG ARG 47 HG2 ARG 47 57.611 6.279 -7.984 388 2HG ARG 47 HG1 ARG 47 59.160 6.959 -7.490 389 1HD ARG 47 HD2 ARG 47 58.757 4.599 -9.349 390 2HD ARG 47 HD1 ARG 47 59.300 6.211 -9.814 391 HE ARG 47 HE ARG 47 61.161 5.466 -7.934 392 1HH1 ARG 47 HH21 ARG 47 59.793 3.994 -10.736 393 2HH1 ARG 47 HH22 ARG 47 61.221 3.092 -11.124 394 1HH2 ARG 47 HH11 ARG 47 63.036 4.299 -8.427 395 2HH2 ARG 47 HH12 ARG 47 63.056 3.266 -9.818 396 H PHE 48 HN PHE 48 55.891 4.368 -4.559 397 HA PHE 48 HA PHE 48 57.443 2.654 -2.659 398 1HB PHE 48 HB2 PHE 48 55.650 4.359 -1.776 399 2HB PHE 48 HB1 PHE 48 54.480 3.250 -2.467 400 HD1 PHE 48 HD1 PHE 48 53.420 2.110 -0.729 401 HD2 PHE 48 HD2 PHE 48 57.683 2.646 -0.567 402 HE1 PHE 48 HE1 PHE 48 53.525 0.706 1.309 403 HE2 PHE 48 HE2 PHE 48 57.777 1.236 1.461 404 HZ PHE 48 HZ PHE 48 55.708 0.259 2.398 405 H HIS 49 HN HIS 49 57.216 0.361 -3.146 406 HA HIS 49 HA HIS 49 55.538 -0.111 -5.578 407 1HB HIS 49 HB2 HIS 49 58.116 -1.398 -4.687 408 2HB HIS 49 HB1 HIS 49 57.185 -1.933 -6.084 409 HD1 HIS 49 HD1 HIS 49 59.331 0.876 -4.840 410 HD2 HIS 49 HD2 HIS 49 57.229 -0.128 -8.297 411 HE1 HIS 49 HE1 HIS 49 60.082 2.501 -6.632 412 H ASN 50 HN ASN 50 54.156 -1.760 -5.743 413 HA ASN 50 HA ASN 50 53.748 -3.489 -3.341 414 1HB ASN 50 HB2 ASN 50 51.943 -1.876 -3.790 415 2HB ASN 50 HB1 ASN 50 51.734 -2.569 -5.376 416 1HD2 ASN 50 HD21 ASN 50 51.776 -3.603 -1.934 417 2HD2 ASN 50 HD22 ASN 50 50.574 -4.785 -2.125 418 H ILE 51 HN ILE 51 53.863 -5.618 -3.599 419 HA ILE 51 HA ILE 51 53.693 -6.824 -6.340 420 HB ILE 51 HB ILE 51 54.997 -7.984 -3.845 421 1HG1 ILE 51 HG12 ILE 51 56.340 -7.011 -6.374 422 2HG1 ILE 51 HG11 ILE 51 56.268 -6.064 -4.884 423 1HG2 ILE 51 HG21 ILE 51 55.164 -8.970 -6.698 424 2HG2 ILE 51 HG22 ILE 51 53.953 -9.558 -5.557 425 3HG2 ILE 51 HG23 ILE 51 55.668 -9.808 -5.230 426 1HD1 ILE 51 HD11 ILE 51 58.380 -7.322 -5.059 427 2HD1 ILE 51 HD12 ILE 51 57.469 -8.824 -5.198 428 3HD1 ILE 51 HD13 ILE 51 57.416 -7.897 -3.699 429 H ARG 52 HN ARG 52 52.086 -8.518 -6.540 430 HA ARG 52 HA ARG 52 49.870 -8.372 -4.811 431 1HB ARG 52 HB2 ARG 52 50.809 -10.748 -6.450 432 2HB ARG 52 HB1 ARG 52 49.210 -10.606 -5.720 433 1HG ARG 52 HG2 ARG 52 48.833 -8.518 -7.023 434 2HG ARG 52 HG1 ARG 52 50.400 -8.749 -7.803 435 1HD ARG 52 HD2 ARG 52 48.719 -9.661 -9.278 436 2HD ARG 52 HD1 ARG 52 49.588 -11.018 -8.563 437 HE ARG 52 HE ARG 52 47.128 -10.194 -7.160 438 1HH1 ARG 52 HH21 ARG 52 48.729 -12.247 -9.421 439 2HH1 ARG 52 HH22 ARG 52 47.533 -13.496 -9.335 440 1HH2 ARG 52 HH11 ARG 52 45.557 -11.814 -7.036 441 2HH2 ARG 52 HH12 ARG 52 45.737 -13.252 -7.985 442 H GLY 53 HN GLY 53 49.301 -9.420 -2.930 443 1HA GLY 53 HA2 GLY 53 49.501 -10.816 -1.048 444 2HA GLY 53 HA1 GLY 53 50.816 -11.658 -1.862 445 H ARG 54 HN ARG 54 52.370 -9.138 -2.296 446 HA ARG 54 HA ARG 54 53.075 -8.532 0.547 447 1HB ARG 54 HB2 ARG 54 54.988 -9.208 -1.701 448 2HB ARG 54 HB1 ARG 54 55.478 -8.606 -0.117 449 1HG ARG 54 HG2 ARG 54 54.316 -10.558 0.932 450 2HG ARG 54 HG1 ARG 54 53.988 -11.184 -0.685 451 1HD ARG 54 HD2 ARG 54 56.725 -10.654 0.508 452 2HD ARG 54 HD1 ARG 54 56.012 -12.237 0.204 453 HE ARG 54 HE ARG 54 56.972 -10.349 -1.885 454 1HH1 ARG 54 HH21 ARG 54 55.623 -13.380 -0.910 455 2HH1 ARG 54 HH22 ARG 54 55.947 -14.153 -2.424 456 1HH2 ARG 54 HH11 ARG 54 57.391 -11.351 -3.860 457 2HH2 ARG 54 HH12 ARG 54 56.944 -13.008 -4.090 458 H TRP 55 HN TRP 55 54.009 -6.461 0.927 459 HA TRP 55 HA TRP 55 53.706 -4.541 -1.351 460 1HB TRP 55 HB2 TRP 55 52.696 -4.433 1.298 461 2HB TRP 55 HB1 TRP 55 53.978 -3.231 1.215 462 HD1 TRP 55 HD1 TRP 55 50.433 -3.818 0.190 463 HE1 TRP 55 HE1 TRP 55 49.632 -1.912 -1.351 464 HE3 TRP 55 HE3 TRP 55 54.879 -1.498 -0.700 465 HZ2 TRP 55 HZ2 TRP 55 50.757 0.311 -2.797 466 HZ3 TRP 55 HZ3 TRP 55 54.978 0.522 -2.121 467 HH2 TRP 55 HH2 TRP 55 52.937 1.408 -3.167 468 H THR 56 HN THR 56 55.555 -3.226 -1.845 469 HA THR 56 HA THR 56 57.983 -3.929 -0.239 470 HB THR 56 HB THR 56 59.241 -4.141 -2.229 471 HG1 THR 56 HG1 THR 56 57.202 -2.561 -3.216 472 1HG2 THR 56 HG21 THR 56 57.968 -5.776 -3.549 473 2HG2 THR 56 HG22 THR 56 56.469 -5.208 -2.820 474 3HG2 THR 56 HG23 THR 56 57.677 -6.018 -1.826 475 H GLY 57 HN GLY 57 59.759 -2.364 -0.404 476 1HA GLY 57 HA2 GLY 57 59.994 0.103 -1.437 477 2HA GLY 57 HA1 GLY 57 58.745 0.400 -0.240 478 H ARG 58 HN ARG 58 59.392 -0.652 2.010 479 HA ARG 58 HA ARG 58 61.640 0.721 2.994 480 1HB ARG 58 HB2 ARG 58 59.969 -0.078 4.526 481 2HB ARG 58 HB1 ARG 58 60.351 -1.756 4.099 482 1HG ARG 58 HG2 ARG 58 62.581 -1.563 4.919 483 2HG ARG 58 HG1 ARG 58 62.410 0.179 5.166 484 1HD ARG 58 HD2 ARG 58 60.499 -0.487 6.782 485 2HD ARG 58 HD1 ARG 58 61.203 -2.108 6.692 486 HE ARG 58 HE ARG 58 62.864 -1.341 8.152 487 1HH1 ARG 58 HH21 ARG 58 61.573 1.213 6.213 488 2HH1 ARG 58 HH22 ARG 58 62.555 2.442 6.944 489 1HH2 ARG 58 HH11 ARG 58 64.158 0.256 9.113 490 2HH2 ARG 58 HH12 ARG 58 64.018 1.899 8.584 491 H CYS 59 HN CYS 59 61.463 -2.623 1.935 492 HA CYS 59 HA CYS 59 63.927 -3.374 2.994 493 1HB CYS 59 HB2 CYS 59 62.058 -4.620 1.588 494 2HB CYS 59 HB1 CYS 59 63.261 -4.381 0.334 495 H MET 60 HN MET 60 63.247 -1.323 0.265 496 HA MET 60 HA MET 60 65.744 -1.572 -1.096 497 1HB MET 60 HB2 MET 60 63.789 -0.175 -1.890 498 2HB MET 60 HB1 MET 60 64.212 1.013 -0.656 499 1HG MET 60 HG2 MET 60 66.513 1.139 -1.658 500 2HG MET 60 HG1 MET 60 65.952 0.095 -2.963 501 1HE MET 60 HE1 MET 60 62.743 1.497 -3.527 502 2HE MET 60 HE2 MET 60 63.954 0.352 -4.099 503 3HE MET 60 HE3 MET 60 63.629 1.816 -5.024 504 H SER 61 HN SER 61 64.747 0.243 1.766 505 HA SER 61 HA SER 61 67.212 1.623 2.231 506 1HB SER 61 HB2 SER 61 65.246 0.587 4.298 507 2HB SER 61 HB1 SER 61 66.426 1.875 4.528 508 HG SER 61 HG SER 61 64.064 1.838 2.998 509 H CYS 62 HN CYS 62 66.068 -1.627 2.991 510 HA CYS 62 HA CYS 62 68.156 -2.403 4.761 511 1HB CYS 62 HB2 CYS 62 66.638 -4.148 2.770 512 2HB CYS 62 HB1 CYS 62 67.587 -4.716 4.135 513 H SER 63 HN SER 63 68.066 -2.017 1.295 514 HA SER 63 HA SER 63 70.270 -3.624 0.534 515 1HB SER 63 HB2 SER 63 69.521 -0.916 -0.602 516 2HB SER 63 HB1 SER 63 70.465 -2.163 -1.410 517 HG SER 63 HG SER 63 68.594 -2.849 -2.071 518 H ARG 64 HN ARG 64 70.178 -0.411 2.008 519 HA ARG 64 HA ARG 64 72.858 0.375 1.605 520 1HB ARG 64 HB2 ARG 64 71.089 1.793 2.660 521 2HB ARG 64 HB1 ARG 64 71.214 0.807 4.118 522 1HG ARG 64 HG2 ARG 64 73.640 1.387 4.253 523 2HG ARG 64 HG1 ARG 64 73.427 2.461 2.870 524 1HD ARG 64 HD2 ARG 64 71.956 2.688 5.512 525 2HD ARG 64 HD1 ARG 64 73.293 3.714 4.995 526 HE ARG 64 HE ARG 64 71.414 3.944 2.955 527 1HH1 ARG 64 HH21 ARG 64 71.510 4.354 6.376 528 2HH1 ARG 64 HH22 ARG 64 70.305 5.598 6.395 529 1HH2 ARG 64 HH11 ARG 64 69.843 5.569 2.959 530 2HH2 ARG 64 HH12 ARG 64 69.362 6.287 4.460 531 H SER 65 HN SER 65 71.486 -1.824 4.030 532 HA SER 65 HA SER 65 74.289 -2.585 4.751 533 1HB SER 65 HB2 SER 65 73.542 -2.991 7.037 534 2HB SER 65 HB1 SER 65 73.133 -1.339 6.583 535 HG SER 65 HG SER 65 71.261 -2.068 7.354 536 H SER 66 HN SER 66 74.534 -4.866 5.354 537 HA SER 66 HA SER 66 73.145 -6.649 3.615 538 1HB SER 66 HB2 SER 66 74.639 -7.323 6.167 539 2HB SER 66 HB1 SER 66 74.256 -8.443 4.864 540 HG SER 66 HG SER 66 75.409 -6.534 3.636 541 H ARG 67 HN ARG 67 71.591 -8.320 4.167 542 HA ARG 67 HA ARG 67 69.416 -8.745 5.026 543 1HB ARG 67 HB2 ARG 67 70.989 -10.087 6.424 544 2HB ARG 67 HB1 ARG 67 71.074 -8.746 7.568 545 1HG ARG 67 HG2 ARG 67 68.601 -8.883 7.859 546 2HG ARG 67 HG1 ARG 67 68.581 -10.294 6.801 547 1HD ARG 67 HD2 ARG 67 70.128 -10.077 9.401 548 2HD ARG 67 HD1 ARG 67 68.616 -10.958 9.186 549 HE ARG 67 HE ARG 67 70.370 -11.986 7.255 550 1HH1 ARG 67 HH21 ARG 67 70.220 -11.603 10.677 551 2HH1 ARG 67 HH22 ARG 67 71.144 -13.029 11.011 552 1HH2 ARG 67 HH11 ARG 67 71.577 -13.852 7.671 553 2HH2 ARG 67 HH12 ARG 67 71.911 -14.304 9.309 Start of MODEL 4 1 H ALA 1 HT1 ALA 1 55.365 -6.030 -8.178 2 HA ALA 1 HA ALA 1 55.484 -4.225 -6.625 3 1HB ALA 1 HB1 ALA 1 57.560 -3.527 -6.053 4 2HB ALA 1 HB2 ALA 1 57.628 -2.686 -7.603 5 3HB ALA 1 HB3 ALA 1 58.269 -4.321 -7.458 6 H MET 2 HN MET 2 56.638 -4.229 -9.951 7 HA MET 2 HA MET 2 55.575 -1.744 -10.789 8 1HB MET 2 HB2 MET 2 56.010 -4.304 -12.348 9 2HB MET 2 HB1 MET 2 55.655 -2.738 -13.079 10 1HG MET 2 HG2 MET 2 57.674 -1.807 -11.910 11 2HG MET 2 HG1 MET 2 58.061 -3.444 -11.378 12 1HE MET 2 HE1 MET 2 56.749 -2.146 -15.156 13 2HE MET 2 HE2 MET 2 58.346 -1.439 -15.381 14 3HE MET 2 HE3 MET 2 57.394 -1.012 -13.961 15 H SER 3 HN SER 3 53.973 -4.892 -10.411 16 HA SER 3 HA SER 3 51.717 -4.438 -12.017 17 1HB SER 3 HB2 SER 3 51.740 -5.738 -9.277 18 2HB SER 3 HB1 SER 3 50.513 -5.966 -10.521 19 HG SER 3 HG SER 3 51.888 -7.145 -11.677 20 H TYR 4 HN TYR 4 52.221 -3.326 -8.615 21 HA TYR 4 HA TYR 4 50.368 -1.142 -9.266 22 1HB TYR 4 HB2 TYR 4 48.899 -2.995 -8.396 23 2HB TYR 4 HB1 TYR 4 49.752 -2.876 -6.859 24 HD1 TYR 4 HD1 TYR 4 49.329 -1.022 -5.341 25 HD2 TYR 4 HD2 TYR 4 47.697 -1.040 -9.308 26 HE1 TYR 4 HE1 TYR 4 47.941 0.947 -4.780 27 HE2 TYR 4 HE2 TYR 4 46.301 0.921 -8.746 28 HH TYR 4 HH TYR 4 45.637 2.302 -7.138 29 H SER 5 HN SER 5 50.743 0.711 -7.896 30 HA SER 5 HA SER 5 52.593 0.412 -5.626 31 1HB SER 5 HB2 SER 5 54.072 0.379 -7.614 32 2HB SER 5 HB1 SER 5 53.399 1.928 -8.085 33 HG SER 5 HG SER 5 54.148 2.092 -5.558 34 H LEU 6 HN LEU 6 52.739 2.342 -4.340 35 HA LEU 6 HA LEU 6 50.763 4.455 -5.122 36 1HB LEU 6 HB2 LEU 6 51.869 3.800 -2.372 37 2HB LEU 6 HB1 LEU 6 50.606 4.980 -2.737 38 HG LEU 6 HG LEU 6 50.438 2.014 -3.281 39 1HD1 LEU 6 HD11 LEU 6 49.204 1.790 -1.341 40 2HD1 LEU 6 HD12 LEU 6 48.609 3.448 -1.412 41 3HD1 LEU 6 HD13 LEU 6 50.247 3.121 -0.845 42 1HD2 LEU 6 HD21 LEU 6 47.937 2.821 -3.547 43 2HD2 LEU 6 HD22 LEU 6 49.064 2.945 -4.897 44 3HD2 LEU 6 HD23 LEU 6 48.704 4.366 -3.916 45 H TYR 7 HN TYR 7 51.611 6.428 -5.574 46 HA TYR 7 HA TYR 7 54.435 6.876 -5.619 47 1HB TYR 7 HB2 TYR 7 52.821 8.040 -7.149 48 2HB TYR 7 HB1 TYR 7 52.266 8.985 -5.761 49 HD1 TYR 7 HD1 TYR 7 55.109 8.288 -8.005 50 HD2 TYR 7 HD2 TYR 7 53.703 10.650 -4.712 51 HE1 TYR 7 HE1 TYR 7 57.079 9.775 -8.232 52 HE2 TYR 7 HE2 TYR 7 55.666 12.145 -4.946 53 HH TYR 7 HH TYR 7 57.858 12.170 -5.856 54 H GLY 8 HN GLY 8 51.853 7.637 -3.375 55 1HA GLY 8 HA2 GLY 8 52.376 7.931 -0.993 56 2HA GLY 8 HA1 GLY 8 53.911 8.660 -1.462 57 H THR 9 HN THR 9 51.477 9.522 -3.551 58 HA THR 9 HA THR 9 51.422 12.285 -2.588 59 HB THR 9 HB THR 9 49.658 11.339 -4.810 60 HG1 THR 9 HG1 THR 9 52.035 11.788 -5.835 61 1HG2 THR 9 HG21 THR 9 50.827 13.819 -3.917 62 2HG2 THR 9 HG22 THR 9 49.629 13.551 -5.179 63 3HG2 THR 9 HG23 THR 9 51.346 13.481 -5.568 64 H THR 10 HN THR 10 48.965 13.207 -3.030 65 HA THR 10 HA THR 10 47.447 12.603 -0.770 66 HB THR 10 HB THR 10 46.375 13.506 -3.459 67 HG1 THR 10 HG1 THR 10 47.041 15.245 -1.384 68 1HG2 THR 10 HG21 THR 10 44.899 12.821 -1.318 69 2HG2 THR 10 HG22 THR 10 44.451 14.140 -2.399 70 3HG2 THR 10 HG23 THR 10 45.276 14.487 -0.881 71 H LEU 11 HN LEU 11 47.360 11.072 -3.947 72 HA LEU 11 HA LEU 11 44.997 9.560 -3.663 73 1HB LEU 11 HB2 LEU 11 47.552 8.813 -5.062 74 2HB LEU 11 HB1 LEU 11 45.972 8.087 -5.357 75 HG LEU 11 HG LEU 11 46.757 10.978 -5.812 76 1HD1 LEU 11 HD11 LEU 11 45.905 10.269 -8.169 77 2HD1 LEU 11 HD12 LEU 11 46.152 8.622 -7.591 78 3HD1 LEU 11 HD13 LEU 11 47.511 9.744 -7.667 79 1HD2 LEU 11 HD21 LEU 11 44.538 11.181 -5.122 80 2HD2 LEU 11 HD22 LEU 11 44.103 9.577 -5.711 81 3HD2 LEU 11 HD23 LEU 11 44.329 10.903 -6.851 82 H GLU 12 HN GLU 12 48.245 8.862 -2.403 83 HA GLU 12 HA GLU 12 47.886 6.137 -1.703 84 1HB GLU 12 HB2 GLU 12 50.041 7.421 -1.441 85 2HB GLU 12 HB1 GLU 12 49.345 8.189 -0.011 86 1HG GLU 12 HG2 GLU 12 48.946 5.918 0.959 87 2HG GLU 12 HG1 GLU 12 49.781 5.218 -0.426 88 H GLN 13 HN GLN 13 46.586 9.017 -0.345 89 HA GLN 13 HA GLN 13 45.979 8.350 2.285 90 1HB GLN 13 HB2 GLN 13 44.334 9.843 0.228 91 2HB GLN 13 HB1 GLN 13 44.071 9.923 1.973 92 1HG GLN 13 HG2 GLN 13 46.279 10.828 2.334 93 2HG GLN 13 HG1 GLN 13 46.709 10.591 0.643 94 1HE2 GLN 13 HE21 GLN 13 47.082 13.101 1.107 95 2HE2 GLN 13 HE22 GLN 13 45.779 14.079 0.652 96 H GLN 14 HN GLN 14 44.212 7.317 -0.673 97 HA GLN 14 HA GLN 14 41.965 6.210 0.711 98 1HB GLN 14 HB2 GLN 14 43.315 5.282 -1.848 99 2HB GLN 14 HB1 GLN 14 41.732 4.735 -1.294 100 1HG GLN 14 HG2 GLN 14 40.892 7.039 -1.365 101 2HG GLN 14 HG1 GLN 14 42.477 7.615 -1.879 102 1HE2 GLN 14 HE21 GLN 14 40.197 8.035 -3.535 103 2HE2 GLN 14 HE22 GLN 14 40.354 7.083 -4.932 104 H TYR 15 HN TYR 15 45.156 4.927 -0.079 105 HA TYR 15 HA TYR 15 44.738 2.312 1.064 106 1HB TYR 15 HB2 TYR 15 47.226 3.891 0.374 107 2HB TYR 15 HB1 TYR 15 47.276 2.245 1.009 108 HD1 TYR 15 HD1 TYR 15 45.417 4.189 -1.628 109 HD2 TYR 15 HD2 TYR 15 47.373 0.530 -0.536 110 HE1 TYR 15 HE1 TYR 15 44.968 3.268 -3.889 111 HE2 TYR 15 HE2 TYR 15 46.923 -0.398 -2.781 112 HH TYR 15 HH TYR 15 44.703 0.839 -4.853 113 H ASN 16 HN ASN 16 45.684 5.440 2.330 114 HA ASN 16 HA ASN 16 46.985 4.672 4.701 115 1HB ASN 16 HB2 ASN 16 46.680 7.011 3.839 116 2HB ASN 16 HB1 ASN 16 45.046 6.977 4.504 117 1HD2 ASN 16 HD21 ASN 16 46.551 8.893 5.661 118 2HD2 ASN 16 HD22 ASN 16 47.134 8.422 7.184 119 H LYS 17 HN LYS 17 43.418 4.907 4.214 120 HA LYS 17 HA LYS 17 42.822 4.443 6.970 121 1HB LYS 17 HB2 LYS 17 40.769 3.181 5.446 122 2HB LYS 17 HB1 LYS 17 40.722 4.727 6.275 123 1HG LYS 17 HG2 LYS 17 41.265 5.938 4.361 124 2HG LYS 17 HG1 LYS 17 42.024 4.562 3.571 125 1HD LYS 17 HD2 LYS 17 39.899 3.516 3.154 126 2HD LYS 17 HD1 LYS 17 39.067 4.681 4.177 127 1HE LYS 17 HE2 LYS 17 40.070 6.450 2.523 128 2HE LYS 17 HE1 LYS 17 40.239 5.068 1.440 129 1HZ LYS 17 HZ1 LYS 17 37.683 5.481 2.820 130 2HZ LYS 17 HZ2 LYS 17 37.994 4.770 1.308 131 3HZ LYS 17 HZ3 LYS 17 38.050 6.459 1.484 132 HA PRO 18 HA PRO 18 42.697 -0.252 6.009 133 1HB PRO 18 HB2 PRO 18 43.366 -1.132 3.535 134 2HB PRO 18 HB1 PRO 18 41.727 -0.571 3.923 135 1HG PRO 18 HG2 PRO 18 43.938 0.860 2.531 136 2HG PRO 18 HG1 PRO 18 42.206 0.818 2.155 137 1HD PRO 18 HD2 PRO 18 43.398 2.888 3.494 138 2HD PRO 18 HD1 PRO 18 41.697 2.442 3.693 139 H LEU 19 HN LEU 19 45.272 1.830 5.316 140 HA LEU 19 HA LEU 19 47.375 0.218 4.525 141 1HB LEU 19 HB2 LEU 19 47.573 2.636 5.080 142 2HB LEU 19 HB1 LEU 19 47.529 2.224 6.793 143 HG LEU 19 HG LEU 19 49.531 0.721 6.371 144 1HD1 LEU 19 HD11 LEU 19 49.517 0.360 4.036 145 2HD1 LEU 19 HD12 LEU 19 50.826 1.522 4.258 146 3HD1 LEU 19 HD13 LEU 19 49.250 2.068 3.685 147 1HD2 LEU 19 HD21 LEU 19 50.865 3.077 5.685 148 2HD2 LEU 19 HD22 LEU 19 50.460 2.554 7.321 149 3HD2 LEU 19 HD23 LEU 19 49.376 3.634 6.448 150 H SER 20 HN SER 20 46.044 0.412 7.882 151 HA SER 20 HA SER 20 47.894 -1.596 8.856 152 1HB SER 20 HB2 SER 20 46.383 -1.826 10.744 153 2HB SER 20 HB1 SER 20 46.449 -0.114 10.332 154 HG SER 20 HG SER 20 44.300 -0.851 10.612 155 H ASP 21 HN ASP 21 44.770 -1.574 7.261 156 HA ASP 21 HA ASP 21 44.238 -4.404 7.334 157 1HB ASP 21 HB2 ASP 21 43.341 -2.263 5.399 158 2HB ASP 21 HB1 ASP 21 42.724 -3.901 5.413 159 H LEU 22 HN LEU 22 46.024 -2.285 5.173 160 HA LEU 22 HA LEU 22 46.448 -4.305 3.132 161 1HB LEU 22 HB2 LEU 22 48.054 -1.781 3.659 162 2HB LEU 22 HB1 LEU 22 48.002 -2.699 2.157 163 HG LEU 22 HG LEU 22 45.693 -1.194 3.412 164 1HD1 LEU 22 HD11 LEU 22 45.971 -0.173 0.954 165 2HD1 LEU 22 HD12 LEU 22 47.647 -0.639 1.257 166 3HD1 LEU 22 HD13 LEU 22 46.831 0.478 2.350 167 1HD2 LEU 22 HD21 LEU 22 44.613 -2.971 2.358 168 2HD2 LEU 22 HD22 LEU 22 45.868 -3.129 1.128 169 3HD2 LEU 22 HD23 LEU 22 44.716 -1.793 1.048 170 H LEU 23 HN LEU 23 48.368 -5.519 2.838 171 HA LEU 23 HA LEU 23 49.815 -5.943 5.354 172 1HB LEU 23 HB2 LEU 23 50.866 -7.895 4.042 173 2HB LEU 23 HB1 LEU 23 49.171 -8.016 4.473 174 HG LEU 23 HG LEU 23 49.486 -8.787 2.201 175 1HD1 LEU 23 HD11 LEU 23 47.647 -7.815 1.337 176 2HD1 LEU 23 HD12 LEU 23 48.312 -6.189 1.468 177 3HD1 LEU 23 HD13 LEU 23 47.577 -6.968 2.879 178 1HD2 LEU 23 HD21 LEU 23 50.683 -7.744 0.562 179 2HD2 LEU 23 HD22 LEU 23 51.553 -7.132 1.966 180 3HD2 LEU 23 HD23 LEU 23 50.329 -6.133 1.172 181 H ILE 24 HN ILE 24 51.742 -5.114 5.727 182 HA ILE 24 HA ILE 24 53.371 -4.149 3.388 183 HB ILE 24 HB ILE 24 53.427 -3.095 6.231 184 1HG1 ILE 24 HG12 ILE 24 51.264 -2.531 5.347 185 2HG1 ILE 24 HG11 ILE 24 52.265 -1.089 5.175 186 1HG2 ILE 24 HG21 ILE 24 55.487 -2.678 5.077 187 2HG2 ILE 24 HG22 ILE 24 54.573 -1.169 5.071 188 3HG2 ILE 24 HG23 ILE 24 54.635 -2.169 3.619 189 1HD1 ILE 24 HD11 ILE 24 52.807 -2.128 2.805 190 2HD1 ILE 24 HD12 ILE 24 51.322 -1.214 3.059 191 3HD1 ILE 24 HD13 ILE 24 51.282 -2.976 3.066 192 H ARG 25 HN ARG 25 55.405 -5.140 3.188 193 HA ARG 25 HA ARG 25 56.727 -6.208 5.615 194 1HB ARG 25 HB2 ARG 25 55.080 -7.952 4.736 195 2HB ARG 25 HB1 ARG 25 56.107 -8.037 3.298 196 1HG ARG 25 HG2 ARG 25 58.023 -8.611 4.693 197 2HG ARG 25 HG1 ARG 25 56.997 -8.600 6.131 198 1HD ARG 25 HD2 ARG 25 56.623 -10.381 3.700 199 2HD ARG 25 HD1 ARG 25 57.250 -10.899 5.262 200 HE ARG 25 HE ARG 25 54.830 -9.827 5.947 201 1HH1 ARG 25 HH21 ARG 25 55.900 -12.033 3.522 202 2HH1 ARG 25 HH22 ARG 25 54.406 -12.910 3.471 203 1HH2 ARG 25 HH11 ARG 25 52.873 -10.961 5.897 204 2HH2 ARG 25 HH12 ARG 25 52.693 -12.303 4.817 205 H CYS 26 HN CYS 26 59.003 -6.895 5.160 206 HA CYS 26 HA CYS 26 60.232 -5.423 2.944 207 1HB CYS 26 HB2 CYS 26 61.162 -6.683 5.369 208 2HB CYS 26 HB1 CYS 26 62.026 -7.380 4.020 209 H ILE 27 HN ILE 27 60.891 -6.413 1.022 210 HA ILE 27 HA ILE 27 59.563 -8.888 0.351 211 HB ILE 27 HB ILE 27 60.282 -8.444 -1.808 212 1HG1 ILE 27 HG12 ILE 27 62.625 -6.942 -0.644 213 2HG1 ILE 27 HG11 ILE 27 62.711 -8.545 -1.345 214 1HG2 ILE 27 HG21 ILE 27 59.532 -6.309 -2.077 215 2HG2 ILE 27 HG22 ILE 27 60.745 -5.656 -0.975 216 3HG2 ILE 27 HG23 ILE 27 59.277 -6.392 -0.335 217 1HD1 ILE 27 HD11 ILE 27 61.484 -7.185 -3.355 218 2HD1 ILE 27 HD12 ILE 27 63.228 -7.432 -3.252 219 3HD1 ILE 27 HD13 ILE 27 62.516 -5.923 -2.681 220 H ASN 28 HN ASN 28 62.389 -8.187 2.008 221 HA ASN 28 HA ASN 28 63.391 -10.964 1.553 222 1HB ASN 28 HB2 ASN 28 65.435 -10.301 0.783 223 2HB ASN 28 HB1 ASN 28 64.628 -8.786 0.409 224 1HD2 ASN 28 HD21 ASN 28 65.898 -7.076 1.117 225 2HD2 ASN 28 HD22 ASN 28 66.772 -7.045 2.572 226 H CYS 29 HN CYS 29 63.509 -8.042 3.569 227 HA CYS 29 HA CYS 29 64.403 -9.685 5.894 228 1HB CYS 29 HB2 CYS 29 64.011 -6.745 6.124 229 2HB CYS 29 HB1 CYS 29 65.326 -7.760 6.738 230 H GLN 30 HN GLN 30 62.123 -10.396 5.221 231 HA GLN 30 HA GLN 30 59.713 -9.440 5.517 232 1HB GLN 30 HB2 GLN 30 60.568 -11.890 7.040 233 2HB GLN 30 HB1 GLN 30 58.981 -11.573 6.336 234 1HG GLN 30 HG2 GLN 30 61.595 -11.943 4.854 235 2HG GLN 30 HG1 GLN 30 60.180 -12.981 4.796 236 1HE2 GLN 30 HE21 GLN 30 61.715 -10.808 2.925 237 2HE2 GLN 30 HE22 GLN 30 60.400 -10.093 2.129 238 H LYS 31 HN LYS 31 61.919 -8.981 8.109 239 HA LYS 31 HA LYS 31 60.160 -9.150 10.317 240 1HB LYS 31 HB2 LYS 31 61.476 -6.944 11.046 241 2HB LYS 31 HB1 LYS 31 62.270 -8.517 11.042 242 1HG LYS 31 HG2 LYS 31 63.161 -8.071 8.791 243 2HG LYS 31 HG1 LYS 31 62.357 -6.500 8.780 244 1HD LYS 31 HD2 LYS 31 63.657 -5.844 10.791 245 2HD LYS 31 HD1 LYS 31 64.495 -7.395 10.736 246 1HE LYS 31 HE2 LYS 31 64.519 -5.948 8.175 247 2HE LYS 31 HE1 LYS 31 65.357 -5.106 9.477 248 1HZ LYS 31 HZ1 LYS 31 66.526 -7.238 9.937 249 2HZ LYS 31 HZ2 LYS 31 66.906 -6.543 8.434 250 3HZ LYS 31 HZ3 LYS 31 65.847 -7.867 8.515 251 HA PRO 32 HA PRO 32 56.854 -6.542 8.778 252 1HB PRO 32 HB2 PRO 32 56.404 -6.049 11.686 253 2HB PRO 32 HB1 PRO 32 55.255 -6.563 10.435 254 1HG PRO 32 HG2 PRO 32 56.235 -8.269 12.234 255 2HG PRO 32 HG1 PRO 32 55.877 -8.757 10.573 256 1HD PRO 32 HD2 PRO 32 58.520 -8.335 11.872 257 2HD PRO 32 HD1 PRO 32 58.073 -9.384 10.507 258 H LEU 33 HN LEU 33 56.399 -4.328 8.543 259 HA LEU 33 HA LEU 33 58.556 -2.497 9.335 260 1HB LEU 33 HB2 LEU 33 56.056 -2.178 7.674 261 2HB LEU 33 HB1 LEU 33 57.085 -0.812 8.092 262 HG LEU 33 HG LEU 33 58.989 -1.974 7.040 263 1HD1 LEU 33 HD11 LEU 33 58.280 -4.295 7.234 264 2HD1 LEU 33 HD12 LEU 33 58.467 -3.913 5.521 265 3HD1 LEU 33 HD13 LEU 33 56.857 -3.972 6.245 266 1HD2 LEU 33 HD21 LEU 33 58.343 -0.646 5.346 267 2HD2 LEU 33 HD22 LEU 33 56.641 -0.929 5.698 268 3HD2 LEU 33 HD23 LEU 33 57.527 -2.055 4.663 269 H SER 34 HN SER 34 58.505 -1.120 10.948 270 HA SER 34 HA SER 34 56.324 -1.108 12.808 271 1HB SER 34 HB2 SER 34 58.216 -0.397 13.956 272 2HB SER 34 HB1 SER 34 58.950 0.285 12.508 273 HG SER 34 HG SER 34 58.231 2.132 13.178 274 HA PRO 35 HA PRO 35 53.892 1.359 10.199 275 1HB PRO 35 HB2 PRO 35 52.682 2.911 12.233 276 2HB PRO 35 HB1 PRO 35 52.071 1.437 11.470 277 1HG PRO 35 HG2 PRO 35 53.296 1.776 14.089 278 2HG PRO 35 HG1 PRO 35 52.286 0.471 13.466 279 1HD PRO 35 HD2 PRO 35 55.007 0.281 13.910 280 2HD PRO 35 HD1 PRO 35 54.061 -0.791 12.853 281 H GLU 36 HN GLU 36 56.258 2.593 12.320 282 HA GLU 36 HA GLU 36 56.026 5.391 11.720 283 1HB GLU 36 HB2 GLU 36 58.476 3.711 12.353 284 2HB GLU 36 HB1 GLU 36 58.438 5.475 12.349 285 1HG GLU 36 HG2 GLU 36 56.662 5.416 14.077 286 2HG GLU 36 HG1 GLU 36 56.782 3.658 14.122 287 H GLU 37 HN GLU 37 57.704 2.665 10.085 288 HA GLU 37 HA GLU 37 58.820 4.379 8.024 289 1HB GLU 37 HB2 GLU 37 58.301 1.391 8.089 290 2HB GLU 37 HB1 GLU 37 59.176 2.221 6.800 291 1HG GLU 37 HG2 GLU 37 59.951 2.231 9.734 292 2HG GLU 37 HG1 GLU 37 60.740 1.288 8.473 293 H LYS 38 HN LYS 38 55.859 2.524 8.449 294 HA LYS 38 HA LYS 38 54.813 2.817 5.818 295 1HB LYS 38 HB2 LYS 38 53.335 2.753 8.469 296 2HB LYS 38 HB1 LYS 38 52.602 2.515 6.885 297 1HG LYS 38 HG2 LYS 38 54.092 0.548 6.536 298 2HG LYS 38 HG1 LYS 38 54.688 0.753 8.185 299 1HD LYS 38 HD2 LYS 38 52.304 0.558 8.990 300 2HD LYS 38 HD1 LYS 38 51.841 0.156 7.339 301 1HE LYS 38 HE2 LYS 38 53.992 -1.508 7.803 302 2HE LYS 38 HE1 LYS 38 53.154 -1.508 9.352 303 1HZ LYS 38 HZ1 LYS 38 52.413 -3.180 7.588 304 2HZ LYS 38 HZ2 LYS 38 51.672 -1.855 6.825 305 3HZ LYS 38 HZ3 LYS 38 51.211 -2.299 8.398 306 H GLN 39 HN GLN 39 54.829 4.729 8.724 307 HA GLN 39 HA GLN 39 53.116 6.781 7.845 308 1HB GLN 39 HB2 GLN 39 53.939 6.566 10.191 309 2HB GLN 39 HB1 GLN 39 55.527 7.127 9.648 310 1HG GLN 39 HG2 GLN 39 54.236 9.028 10.501 311 2HG GLN 39 HG1 GLN 39 54.447 9.190 8.753 312 1HE2 GLN 39 HE21 GLN 39 52.654 8.601 7.378 313 2HE2 GLN 39 HE22 GLN 39 51.068 8.553 7.959 314 H ARG 40 HN ARG 40 56.610 6.358 7.365 315 HA ARG 40 HA ARG 40 56.991 8.873 6.057 316 1HB ARG 40 HB2 ARG 40 58.439 6.238 5.651 317 2HB ARG 40 HB1 ARG 40 58.991 7.796 5.035 318 1HG ARG 40 HG2 ARG 40 59.022 8.668 7.373 319 2HG ARG 40 HG1 ARG 40 58.587 7.058 7.948 320 1HD ARG 40 HD2 ARG 40 60.977 7.241 8.127 321 2HD ARG 40 HD1 ARG 40 60.645 6.188 6.752 322 HE ARG 40 HE ARG 40 61.704 8.945 6.606 323 1HH1 ARG 40 HH21 ARG 40 60.445 6.121 5.074 324 2HH1 ARG 40 HH22 ARG 40 61.039 6.549 3.504 325 1HH2 ARG 40 HH11 ARG 40 62.483 9.517 4.567 326 2HH2 ARG 40 HH12 ARG 40 62.192 8.471 3.217 327 H HIS 41 HN HIS 41 55.927 5.676 4.913 328 HA HIS 41 HA HIS 41 55.918 6.413 2.133 329 1HB HIS 41 HB2 HIS 41 54.078 4.345 3.359 330 2HB HIS 41 HB1 HIS 41 54.671 4.424 1.706 331 HD1 HIS 41 HD1 HIS 41 57.667 5.100 2.441 332 HD2 HIS 41 HD2 HIS 41 55.445 1.956 4.032 333 HE1 HIS 41 HE1 HIS 41 59.336 3.412 3.324 334 H LEU 42 HN LEU 42 53.453 6.504 4.649 335 HA LEU 42 HA LEU 42 51.366 7.608 3.017 336 1HB LEU 42 HB2 LEU 42 51.869 8.029 5.978 337 2HB LEU 42 HB1 LEU 42 50.338 8.263 5.142 338 HG LEU 42 HG LEU 42 51.811 5.639 5.487 339 1HD1 LEU 42 HD11 LEU 42 49.066 5.790 6.420 340 2HD1 LEU 42 HD12 LEU 42 50.080 6.999 7.205 341 3HD1 LEU 42 HD13 LEU 42 50.516 5.293 7.293 342 1HD2 LEU 42 HD21 LEU 42 49.622 6.487 3.684 343 2HD2 LEU 42 HD22 LEU 42 49.336 4.989 4.569 344 3HD2 LEU 42 HD23 LEU 42 50.753 5.139 3.532 345 H ASP 43 HN ASP 43 54.072 8.940 4.798 346 HA ASP 43 HA ASP 43 53.385 11.663 4.773 347 1HB ASP 43 HB2 ASP 43 56.101 10.354 4.734 348 2HB ASP 43 HB1 ASP 43 55.844 12.076 5.001 349 H LYS 44 HN LYS 44 55.029 9.721 2.346 350 HA LYS 44 HA LYS 44 54.313 10.657 -0.003 351 1HB LYS 44 HB2 LYS 44 54.292 13.007 0.808 352 2HB LYS 44 HB1 LYS 44 56.036 12.923 1.053 353 1HG LYS 44 HG2 LYS 44 55.691 13.965 -1.061 354 2HG LYS 44 HG1 LYS 44 56.163 12.302 -1.428 355 1HD LYS 44 HD2 LYS 44 53.960 11.651 -1.921 356 2HD LYS 44 HD1 LYS 44 53.262 13.046 -1.097 357 1HE LYS 44 HE2 LYS 44 53.670 14.455 -2.889 358 2HE LYS 44 HE1 LYS 44 55.105 13.567 -3.395 359 1HZ LYS 44 HZ1 LYS 44 53.878 12.475 -4.855 360 2HZ LYS 44 HZ2 LYS 44 52.501 13.348 -4.375 361 3HZ LYS 44 HZ3 LYS 44 52.885 11.878 -3.617 362 H LYS 45 HN LYS 45 55.606 8.597 0.114 363 HA LYS 45 HA LYS 45 58.536 8.911 0.013 364 1HB LYS 45 HB2 LYS 45 57.470 6.817 0.860 365 2HB LYS 45 HB1 LYS 45 56.912 6.479 -0.778 366 1HG LYS 45 HG2 LYS 45 59.280 6.588 -1.550 367 2HG LYS 45 HG1 LYS 45 59.786 6.816 0.124 368 1HD LYS 45 HD2 LYS 45 58.639 4.650 0.691 369 2HD LYS 45 HD1 LYS 45 58.359 4.414 -1.036 370 1HE LYS 45 HE2 LYS 45 60.682 3.735 0.426 371 2HE LYS 45 HE1 LYS 45 60.456 3.655 -1.321 372 1HZ LYS 45 HZ1 LYS 45 62.349 5.040 -0.729 373 2HZ LYS 45 HZ2 LYS 45 61.343 6.050 0.195 374 3HZ LYS 45 HZ3 LYS 45 61.143 5.958 -1.489 375 H GLN 46 HN GLN 46 59.796 8.948 -1.873 376 HA GLN 46 HA GLN 46 58.630 9.965 -4.232 377 1HB GLN 46 HB2 GLN 46 61.108 9.933 -3.648 378 2HB GLN 46 HB1 GLN 46 61.126 8.244 -4.158 379 1HG GLN 46 HG2 GLN 46 60.239 8.949 -6.384 380 2HG GLN 46 HG1 GLN 46 60.358 10.628 -5.865 381 1HE2 GLN 46 HE21 GLN 46 61.981 8.504 -7.735 382 2HE2 GLN 46 HE22 GLN 46 63.579 9.012 -7.468 383 H ARG 47 HN ARG 47 59.293 6.569 -3.274 384 HA ARG 47 HA ARG 47 57.173 5.740 -5.130 385 1HB ARG 47 HB2 ARG 47 60.022 4.793 -5.506 386 2HB ARG 47 HB1 ARG 47 58.620 4.049 -6.272 387 1HG ARG 47 HG2 ARG 47 58.063 6.258 -7.299 388 2HG ARG 47 HG1 ARG 47 59.550 6.908 -6.617 389 1HD ARG 47 HD2 ARG 47 60.813 5.098 -7.834 390 2HD ARG 47 HD1 ARG 47 59.304 4.677 -8.646 391 HE ARG 47 HE ARG 47 59.417 7.283 -9.261 392 1HH1 ARG 47 HH21 ARG 47 61.906 4.900 -9.105 393 2HH1 ARG 47 HH22 ARG 47 62.888 5.660 -10.311 394 1HH2 ARG 47 HH11 ARG 47 60.691 8.291 -10.828 395 2HH2 ARG 47 HH12 ARG 47 62.203 7.580 -11.286 396 H PHE 48 HN PHE 48 55.973 4.408 -3.888 397 HA PHE 48 HA PHE 48 57.369 2.386 -2.153 398 1HB PHE 48 HB2 PHE 48 55.692 4.220 -1.155 399 2HB PHE 48 HB1 PHE 48 54.463 3.153 -1.824 400 HD1 PHE 48 HD1 PHE 48 53.484 1.838 -0.171 401 HD2 PHE 48 HD2 PHE 48 57.716 2.576 0.012 402 HE1 PHE 48 HE1 PHE 48 53.661 0.359 1.807 403 HE2 PHE 48 HE2 PHE 48 57.880 1.106 1.991 404 HZ PHE 48 HZ PHE 48 55.868 -0.018 2.879 405 H HIS 49 HN HIS 49 56.913 0.187 -2.942 406 HA HIS 49 HA HIS 49 55.001 0.149 -5.248 407 1HB HIS 49 HB2 HIS 49 57.427 -1.578 -4.767 408 2HB HIS 49 HB1 HIS 49 56.323 -1.736 -6.132 409 HD1 HIS 49 HD1 HIS 49 55.929 0.840 -7.332 410 HD2 HIS 49 HD2 HIS 49 59.571 -0.023 -5.504 411 HE1 HIS 49 HE1 HIS 49 57.617 2.462 -8.298 412 H ASN 50 HN ASN 50 53.529 -1.408 -5.556 413 HA ASN 50 HA ASN 50 52.964 -3.253 -3.279 414 1HB ASN 50 HB2 ASN 50 51.207 -1.607 -3.744 415 2HB ASN 50 HB1 ASN 50 51.124 -2.163 -5.399 416 1HD2 ASN 50 HD21 ASN 50 50.931 -3.551 -2.086 417 2HD2 ASN 50 HD22 ASN 50 49.709 -4.663 -2.460 418 H ILE 51 HN ILE 51 52.865 -5.402 -3.610 419 HA ILE 51 HA ILE 51 52.936 -6.427 -6.422 420 HB ILE 51 HB ILE 51 53.979 -7.802 -3.929 421 1HG1 ILE 51 HG12 ILE 51 55.485 -6.511 -6.206 422 2HG1 ILE 51 HG11 ILE 51 55.331 -5.823 -4.594 423 1HG2 ILE 51 HG21 ILE 51 53.138 -9.273 -5.771 424 2HG2 ILE 51 HG22 ILE 51 54.871 -9.442 -5.488 425 3HG2 ILE 51 HG23 ILE 51 54.289 -8.498 -6.860 426 1HD1 ILE 51 HD11 ILE 51 56.649 -8.445 -5.330 427 2HD1 ILE 51 HD12 ILE 51 56.375 -7.907 -3.673 428 3HD1 ILE 51 HD13 ILE 51 57.451 -6.995 -4.732 429 H ARG 52 HN ARG 52 51.305 -7.952 -6.924 430 HA ARG 52 HA ARG 52 48.913 -7.897 -5.480 431 1HB ARG 52 HB2 ARG 52 49.151 -8.754 -7.807 432 2HB ARG 52 HB1 ARG 52 49.922 -10.204 -7.173 433 1HG ARG 52 HG2 ARG 52 47.644 -10.805 -7.499 434 2HG ARG 52 HG1 ARG 52 47.802 -10.533 -5.767 435 1HD ARG 52 HD2 ARG 52 46.904 -8.233 -6.063 436 2HD ARG 52 HD1 ARG 52 46.715 -8.545 -7.786 437 HE ARG 52 HE ARG 52 45.305 -10.602 -6.587 438 1HH1 ARG 52 HH21 ARG 52 45.389 -7.165 -6.349 439 2HH1 ARG 52 HH22 ARG 52 43.708 -7.017 -5.955 440 1HH2 ARG 52 HH11 ARG 52 43.111 -10.434 -6.075 441 2HH2 ARG 52 HH12 ARG 52 42.418 -8.870 -5.801 442 H GLY 53 HN GLY 53 48.859 -8.352 -3.337 443 1HA GLY 53 HA2 GLY 53 48.461 -9.968 -1.608 444 2HA GLY 53 HA1 GLY 53 49.428 -11.135 -2.509 445 H ARG 54 HN ARG 54 51.418 -8.701 -2.795 446 HA ARG 54 HA ARG 54 52.510 -8.790 -0.029 447 1HB ARG 54 HB2 ARG 54 53.569 -10.614 -1.359 448 2HB ARG 54 HB1 ARG 54 54.162 -9.404 -2.494 449 1HG ARG 54 HG2 ARG 54 55.379 -8.283 -0.651 450 2HG ARG 54 HG1 ARG 54 54.810 -9.527 0.464 451 1HD ARG 54 HD2 ARG 54 55.913 -11.249 -0.971 452 2HD ARG 54 HD1 ARG 54 56.576 -9.953 -1.964 453 HE ARG 54 HE ARG 54 57.674 -9.154 0.230 454 1HH1 ARG 54 HH21 ARG 54 56.817 -12.448 -0.427 455 2HH1 ARG 54 HH22 ARG 54 58.016 -13.098 0.636 456 1HH2 ARG 54 HH11 ARG 54 59.231 -10.006 1.611 457 2HH2 ARG 54 HH12 ARG 54 59.377 -11.723 1.785 458 H TRP 55 HN TRP 55 53.773 -6.946 0.520 459 HA TRP 55 HA TRP 55 53.634 -4.773 -1.519 460 1HB TRP 55 HB2 TRP 55 52.886 -4.821 1.240 461 2HB TRP 55 HB1 TRP 55 54.197 -3.665 1.040 462 HD1 TRP 55 HD1 TRP 55 50.552 -4.236 0.121 463 HE1 TRP 55 HE1 TRP 55 49.686 -2.185 -1.175 464 HE3 TRP 55 HE3 TRP 55 54.921 -1.703 -0.514 465 HZ2 TRP 55 HZ2 TRP 55 50.734 0.199 -2.353 466 HZ3 TRP 55 HZ3 TRP 55 54.953 0.463 -1.693 467 HH2 TRP 55 HH2 TRP 55 52.870 1.426 -2.620 468 H THR 56 HN THR 56 55.427 -3.450 -1.884 469 HA THR 56 HA THR 56 57.993 -4.476 -0.742 470 HB THR 56 HB THR 56 57.505 -3.381 -3.523 471 HG1 THR 56 HG1 THR 56 58.441 -5.865 -3.452 472 1HG2 THR 56 HG21 THR 56 59.932 -4.694 -3.496 473 2HG2 THR 56 HG22 THR 56 59.911 -3.880 -1.931 474 3HG2 THR 56 HG23 THR 56 59.718 -2.947 -3.413 475 H GLY 57 HN GLY 57 59.462 -2.904 -0.075 476 1HA GLY 57 HA2 GLY 57 59.638 -0.232 -0.763 477 2HA GLY 57 HA1 GLY 57 58.358 -0.277 0.429 478 H ARG 58 HN ARG 58 59.154 -1.955 2.359 479 HA ARG 58 HA ARG 58 61.189 -0.566 3.763 480 1HB ARG 58 HB2 ARG 58 59.682 -2.277 4.789 481 2HB ARG 58 HB1 ARG 58 60.581 -3.530 3.955 482 1HG ARG 58 HG2 ARG 58 62.634 -2.792 5.069 483 2HG ARG 58 HG1 ARG 58 61.741 -1.543 5.901 484 1HD ARG 58 HD2 ARG 58 60.253 -3.515 6.748 485 2HD ARG 58 HD1 ARG 58 61.582 -4.529 6.274 486 HE ARG 58 HE ARG 58 62.677 -3.804 8.215 487 1HH1 ARG 58 HH21 ARG 58 60.501 -1.424 6.960 488 2HH1 ARG 58 HH22 ARG 58 60.746 -0.317 8.269 489 1HH2 ARG 58 HH11 ARG 58 63.030 -2.341 9.925 490 2HH2 ARG 58 HH12 ARG 58 62.187 -0.828 9.938 491 H CYS 59 HN CYS 59 61.243 -3.331 1.643 492 HA CYS 59 HA CYS 59 64.062 -3.735 1.895 493 1HB CYS 59 HB2 CYS 59 61.922 -5.160 0.883 494 2HB CYS 59 HB1 CYS 59 62.937 -4.823 -0.513 495 H MET 60 HN MET 60 62.110 -1.595 0.039 496 HA MET 60 HA MET 60 63.849 -1.250 -2.208 497 1HB MET 60 HB2 MET 60 61.590 -0.148 -1.933 498 2HB MET 60 HB1 MET 60 62.338 0.967 -0.789 499 1HG MET 60 HG2 MET 60 63.998 1.585 -2.573 500 2HG MET 60 HG1 MET 60 63.075 0.600 -3.707 501 1HE MET 60 HE1 MET 60 59.985 2.050 -4.450 502 2HE MET 60 HE2 MET 60 59.731 1.583 -2.770 503 3HE MET 60 HE3 MET 60 60.760 0.597 -3.803 504 H SER 61 HN SER 61 63.906 0.143 1.060 505 HA SER 61 HA SER 61 66.239 1.785 0.612 506 1HB SER 61 HB2 SER 61 66.299 2.020 3.023 507 2HB SER 61 HB1 SER 61 64.612 2.069 2.518 508 HG SER 61 HG SER 61 64.473 -0.144 3.068 509 H CYS 62 HN CYS 62 65.710 -1.577 1.471 510 HA CYS 62 HA CYS 62 68.335 -2.162 2.444 511 1HB CYS 62 HB2 CYS 62 66.432 -4.046 0.994 512 2HB CYS 62 HB1 CYS 62 67.790 -4.506 2.018 513 H SER 63 HN SER 63 67.083 -1.692 -0.766 514 HA SER 63 HA SER 63 69.761 -2.465 -1.859 515 1HB SER 63 HB2 SER 63 68.649 -3.078 -3.942 516 2HB SER 63 HB1 SER 63 67.899 -3.954 -2.611 517 HG SER 63 HG SER 63 66.472 -1.921 -2.626 518 H ARG 64 HN ARG 64 70.534 -1.113 -3.626 519 HA ARG 64 HA ARG 64 69.218 1.575 -3.695 520 1HB ARG 64 HB2 ARG 64 72.174 0.897 -3.772 521 2HB ARG 64 HB1 ARG 64 71.511 2.513 -4.014 522 1HG ARG 64 HG2 ARG 64 70.439 2.365 -1.761 523 2HG ARG 64 HG1 ARG 64 71.240 0.812 -1.518 524 1HD ARG 64 HD2 ARG 64 72.611 3.475 -1.999 525 2HD ARG 64 HD1 ARG 64 72.560 2.589 -0.475 526 HE ARG 64 HE ARG 64 73.741 1.164 -2.780 527 1HH1 ARG 64 HH21 ARG 64 74.096 3.013 0.108 528 2HH1 ARG 64 HH22 ARG 64 75.729 2.508 0.389 529 1HH2 ARG 64 HH11 ARG 64 75.874 0.493 -2.428 530 2HH2 ARG 64 HH12 ARG 64 76.735 1.082 -1.045 531 H SER 65 HN SER 65 69.165 2.610 -5.728 532 HA SER 65 HA SER 65 69.997 0.896 -8.036 533 1HB SER 65 HB2 SER 65 67.626 2.783 -7.880 534 2HB SER 65 HB1 SER 65 68.078 1.807 -9.274 535 HG SER 65 HG SER 65 67.404 0.038 -8.270 536 H SER 66 HN SER 66 70.914 2.016 -9.833 537 HA SER 66 HA SER 66 72.451 4.338 -9.209 538 1HB SER 66 HB2 SER 66 73.034 4.382 -11.562 539 2HB SER 66 HB1 SER 66 72.950 2.696 -11.055 540 HG SER 66 HG SER 66 71.761 3.567 -13.069 541 H ARG 67 HN ARG 67 69.211 3.924 -10.444 542 HA ARG 67 HA ARG 67 68.768 6.471 -11.603 543 1HB ARG 67 HB2 ARG 67 66.859 4.720 -10.021 544 2HB ARG 67 HB1 ARG 67 66.373 6.084 -11.028 545 1HG ARG 67 HG2 ARG 67 67.450 4.974 -12.986 546 2HG ARG 67 HG1 ARG 67 67.803 3.580 -11.964 547 1HD ARG 67 HD2 ARG 67 65.329 3.434 -11.467 548 2HD ARG 67 HD1 ARG 67 65.075 4.665 -12.703 549 HE ARG 67 HE ARG 67 66.633 2.413 -13.686 550 1HH1 ARG 67 HH21 ARG 67 63.497 3.656 -12.985 551 2HH1 ARG 67 HH22 ARG 67 62.694 2.649 -14.143 552 1HH2 ARG 67 HH11 ARG 67 65.608 1.089 -15.195 553 2HH2 ARG 67 HH12 ARG 67 63.890 1.193 -15.396 Start of MODEL 5 1 H ALA 1 HT1 ALA 1 55.338 -4.663 -6.482 2 HA ALA 1 HA ALA 1 54.848 -2.575 -7.644 3 1HB ALA 1 HB1 ALA 1 57.161 -3.697 -7.557 4 2HB ALA 1 HB2 ALA 1 56.914 -2.517 -8.846 5 3HB ALA 1 HB3 ALA 1 56.835 -4.243 -9.202 6 H MET 2 HN MET 2 55.080 -5.345 -9.897 7 HA MET 2 HA MET 2 54.088 -3.947 -12.155 8 1HB MET 2 HB2 MET 2 53.849 -6.886 -11.438 9 2HB MET 2 HB1 MET 2 53.487 -6.215 -13.028 10 1HG MET 2 HG2 MET 2 55.825 -5.301 -13.108 11 2HG MET 2 HG1 MET 2 56.161 -6.162 -11.606 12 1HE MET 2 HE1 MET 2 54.263 -8.953 -12.238 13 2HE MET 2 HE2 MET 2 55.621 -8.498 -11.212 14 3HE MET 2 HE3 MET 2 55.803 -9.812 -12.370 15 H SER 3 HN SER 3 52.350 -5.625 -9.521 16 HA SER 3 HA SER 3 49.774 -5.533 -10.756 17 1HB SER 3 HB2 SER 3 48.900 -5.902 -8.541 18 2HB SER 3 HB1 SER 3 50.441 -6.756 -8.613 19 HG SER 3 HG SER 3 51.274 -4.606 -7.794 20 H TYR 4 HN TYR 4 51.294 -3.265 -8.430 21 HA TYR 4 HA TYR 4 50.414 -0.965 -9.862 22 1HB TYR 4 HB2 TYR 4 48.640 -0.090 -8.555 23 2HB TYR 4 HB1 TYR 4 48.199 -1.758 -8.902 24 HD1 TYR 4 HD1 TYR 4 49.292 0.611 -6.317 25 HD2 TYR 4 HD2 TYR 4 48.240 -3.465 -7.164 26 HE1 TYR 4 HE1 TYR 4 49.045 0.172 -3.892 27 HE2 TYR 4 HE2 TYR 4 47.997 -3.906 -4.738 28 HH TYR 4 HH TYR 4 48.240 -3.086 -2.689 29 H SER 5 HN SER 5 50.887 1.088 -8.558 30 HA SER 5 HA SER 5 52.636 0.583 -6.221 31 1HB SER 5 HB2 SER 5 54.481 1.853 -7.205 32 2HB SER 5 HB1 SER 5 54.100 0.440 -8.163 33 HG SER 5 HG SER 5 54.360 2.669 -9.187 34 H LEU 6 HN LEU 6 53.025 2.515 -4.949 35 HA LEU 6 HA LEU 6 51.103 4.712 -5.620 36 1HB LEU 6 HB2 LEU 6 52.099 3.853 -2.889 37 2HB LEU 6 HB1 LEU 6 50.857 5.063 -3.225 38 HG LEU 6 HG LEU 6 50.718 2.124 -3.934 39 1HD1 LEU 6 HD11 LEU 6 49.249 1.853 -2.160 40 2HD1 LEU 6 HD12 LEU 6 48.743 3.541 -2.189 41 3HD1 LEU 6 HD13 LEU 6 50.302 3.099 -1.490 42 1HD2 LEU 6 HD21 LEU 6 49.057 4.503 -4.660 43 2HD2 LEU 6 HD22 LEU 6 48.263 2.946 -4.428 44 3HD2 LEU 6 HD23 LEU 6 49.525 3.121 -5.648 45 H TYR 7 HN TYR 7 51.974 6.722 -5.873 46 HA TYR 7 HA TYR 7 54.809 7.119 -5.874 47 1HB TYR 7 HB2 TYR 7 53.191 8.471 -7.244 48 2HB TYR 7 HB1 TYR 7 52.685 9.270 -5.752 49 HD1 TYR 7 HD1 TYR 7 55.376 8.880 -8.209 50 HD2 TYR 7 HD2 TYR 7 54.267 10.682 -4.476 51 HE1 TYR 7 HE1 TYR 7 57.365 10.356 -8.333 52 HE2 TYR 7 HE2 TYR 7 56.244 12.174 -4.609 53 HH TYR 7 HH TYR 7 58.272 12.288 -7.475 54 H GLY 8 HN GLY 8 52.234 7.849 -3.536 55 1HA GLY 8 HA2 GLY 8 52.960 7.784 -1.113 56 2HA GLY 8 HA1 GLY 8 54.372 8.717 -1.617 57 H THR 9 HN THR 9 51.558 9.440 -3.321 58 HA THR 9 HA THR 9 51.399 12.136 -2.218 59 HB THR 9 HB THR 9 49.697 12.515 -3.910 60 HG1 THR 9 HG1 THR 9 49.307 9.904 -3.559 61 1HG2 THR 9 HG21 THR 9 52.298 11.530 -4.469 62 2HG2 THR 9 HG22 THR 9 51.322 12.620 -5.447 63 3HG2 THR 9 HG23 THR 9 51.217 10.879 -5.698 64 H THR 10 HN THR 10 49.080 12.954 -1.691 65 HA THR 10 HA THR 10 48.178 11.743 0.681 66 HB THR 10 HB THR 10 46.176 13.162 0.425 67 HG1 THR 10 HG1 THR 10 46.387 12.593 -2.041 68 1HG2 THR 10 HG21 THR 10 48.329 14.235 1.026 69 2HG2 THR 10 HG22 THR 10 47.292 15.318 0.096 70 3HG2 THR 10 HG23 THR 10 48.650 14.509 -0.686 71 H LEU 11 HN LEU 11 47.824 10.671 -2.491 72 HA LEU 11 HA LEU 11 45.277 9.445 -2.491 73 1HB LEU 11 HB2 LEU 11 47.837 8.581 -3.799 74 2HB LEU 11 HB1 LEU 11 46.231 7.994 -4.234 75 HG LEU 11 HG LEU 11 47.193 10.867 -4.382 76 1HD1 LEU 11 HD11 LEU 11 47.882 9.091 -6.164 77 2HD1 LEU 11 HD12 LEU 11 47.191 10.613 -6.723 78 3HD1 LEU 11 HD13 LEU 11 46.191 9.163 -6.659 79 1HD2 LEU 11 HD21 LEU 11 44.941 11.126 -3.891 80 2HD2 LEU 11 HD22 LEU 11 44.500 9.575 -4.604 81 3HD2 LEU 11 HD23 LEU 11 44.863 10.952 -5.644 82 H GLU 12 HN GLU 12 48.346 8.293 -1.148 83 HA GLU 12 HA GLU 12 47.523 5.603 -0.615 84 1HB GLU 12 HB2 GLU 12 49.530 7.346 0.845 85 2HB GLU 12 HB1 GLU 12 49.341 5.610 1.101 86 1HG GLU 12 HG2 GLU 12 49.803 5.235 -1.313 87 2HG GLU 12 HG1 GLU 12 50.085 6.964 -1.508 88 H GLN 13 HN GLN 13 46.833 8.607 0.906 89 HA GLN 13 HA GLN 13 46.220 7.912 3.536 90 1HB GLN 13 HB2 GLN 13 44.745 9.770 1.647 91 2HB GLN 13 HB1 GLN 13 44.615 9.803 3.407 92 1HG GLN 13 HG2 GLN 13 46.981 10.281 3.633 93 2HG GLN 13 HG1 GLN 13 47.218 10.108 1.894 94 1HE2 GLN 13 HE21 GLN 13 48.073 12.458 2.464 95 2HE2 GLN 13 HE22 GLN 13 46.939 13.681 2.183 96 H GLN 14 HN GLN 14 44.284 7.401 0.578 97 HA GLN 14 HA GLN 14 41.881 6.553 1.857 98 1HB GLN 14 HB2 GLN 14 42.193 6.967 -0.618 99 2HB GLN 14 HB1 GLN 14 43.055 5.431 -0.705 100 1HG GLN 14 HG2 GLN 14 41.074 4.247 0.127 101 2HG GLN 14 HG1 GLN 14 40.206 5.778 0.272 102 1HE2 GLN 14 HE21 GLN 14 39.026 3.930 -1.399 103 2HE2 GLN 14 HE22 GLN 14 39.256 4.355 -3.026 104 H TYR 15 HN TYR 15 44.843 4.797 0.966 105 HA TYR 15 HA TYR 15 43.941 2.236 1.967 106 1HB TYR 15 HB2 TYR 15 46.728 3.297 1.455 107 2HB TYR 15 HB1 TYR 15 46.388 1.652 1.975 108 HD1 TYR 15 HD1 TYR 15 43.744 2.870 -0.115 109 HD2 TYR 15 HD2 TYR 15 47.716 1.230 -0.207 110 HE1 TYR 15 HE1 TYR 15 43.390 2.133 -2.453 111 HE2 TYR 15 HE2 TYR 15 47.364 0.495 -2.540 112 HH TYR 15 HH TYR 15 44.630 0.057 -3.935 113 H ASN 16 HN ASN 16 45.262 5.092 3.441 114 HA ASN 16 HA ASN 16 46.585 4.098 5.667 115 1HB ASN 16 HB2 ASN 16 46.242 6.510 5.158 116 2HB ASN 16 HB1 ASN 16 44.594 6.375 5.768 117 1HD2 ASN 16 HD21 ASN 16 48.012 5.869 6.777 118 2HD2 ASN 16 HD22 ASN 16 47.732 6.189 8.420 119 H LYS 17 HN LYS 17 42.993 4.269 5.339 120 HA LYS 17 HA LYS 17 42.560 3.447 8.042 121 1HB LYS 17 HB2 LYS 17 40.446 2.320 6.529 122 2HB LYS 17 HB1 LYS 17 40.440 3.805 7.459 123 1HG LYS 17 HG2 LYS 17 40.911 5.154 5.617 124 2HG LYS 17 HG1 LYS 17 41.597 3.834 4.679 125 1HD LYS 17 HD2 LYS 17 39.379 2.835 4.394 126 2HD LYS 17 HD1 LYS 17 38.671 4.063 5.437 127 1HE LYS 17 HE2 LYS 17 38.408 5.408 3.656 128 2HE LYS 17 HE1 LYS 17 40.155 5.416 3.415 129 1HZ LYS 17 HZ1 LYS 17 39.801 4.282 1.562 130 2HZ LYS 17 HZ2 LYS 17 38.150 4.089 1.911 131 3HZ LYS 17 HZ3 LYS 17 39.282 2.968 2.501 132 HA PRO 18 HA PRO 18 42.802 -1.100 6.716 133 1HB PRO 18 HB2 PRO 18 42.593 -1.900 4.185 134 2HB PRO 18 HB1 PRO 18 41.165 -1.259 5.029 135 1HG PRO 18 HG2 PRO 18 42.978 0.093 3.080 136 2HG PRO 18 HG1 PRO 18 41.208 0.122 3.176 137 1HD PRO 18 HD2 PRO 18 42.858 2.100 4.207 138 2HD PRO 18 HD1 PRO 18 41.202 1.780 4.729 139 H LEU 19 HN LEU 19 44.994 1.147 5.654 140 HA LEU 19 HA LEU 19 46.728 -0.100 3.889 141 1HB LEU 19 HB2 LEU 19 47.113 2.169 4.824 142 2HB LEU 19 HB1 LEU 19 47.608 1.440 6.349 143 HG LEU 19 HG LEU 19 49.342 0.153 5.008 144 1HD1 LEU 19 HD11 LEU 19 48.571 0.330 2.777 145 2HD1 LEU 19 HD12 LEU 19 49.957 1.417 2.845 146 3HD1 LEU 19 HD13 LEU 19 48.322 2.070 2.918 147 1HD2 LEU 19 HD21 LEU 19 50.465 2.656 4.514 148 2HD2 LEU 19 HD22 LEU 19 50.566 1.757 6.026 149 3HD2 LEU 19 HD23 LEU 19 49.296 2.960 5.799 150 H SER 20 HN SER 20 46.719 -0.648 7.464 151 HA SER 20 HA SER 20 48.818 -2.634 7.266 152 1HB SER 20 HB2 SER 20 48.194 -3.259 9.526 153 2HB SER 20 HB1 SER 20 48.088 -1.505 9.411 154 HG SER 20 HG SER 20 45.763 -2.311 8.665 155 H ASP 21 HN ASP 21 45.334 -2.622 7.006 156 HA ASP 21 HA ASP 21 44.878 -5.442 6.956 157 1HB ASP 21 HB2 ASP 21 43.307 -3.129 5.804 158 2HB ASP 21 HB1 ASP 21 42.715 -4.783 5.840 159 H LEU 22 HN LEU 22 45.668 -3.142 4.360 160 HA LEU 22 HA LEU 22 45.055 -4.801 2.158 161 1HB LEU 22 HB2 LEU 22 47.332 -2.813 2.380 162 2HB LEU 22 HB1 LEU 22 46.654 -3.438 0.879 163 HG LEU 22 HG LEU 22 45.213 -1.756 2.945 164 1HD1 LEU 22 HD11 LEU 22 45.138 -0.078 1.217 165 2HD1 LEU 22 HD12 LEU 22 45.819 -1.195 0.034 166 3HD1 LEU 22 HD13 LEU 22 46.813 -0.610 1.369 167 1HD2 LEU 22 HD21 LEU 22 43.466 -1.829 0.959 168 2HD2 LEU 22 HD22 LEU 22 43.491 -3.115 2.167 169 3HD2 LEU 22 HD23 LEU 22 44.261 -3.363 0.599 170 H LEU 23 HN LEU 23 48.020 -4.697 4.104 171 HA LEU 23 HA LEU 23 49.114 -7.006 4.363 172 1HB LEU 23 HB2 LEU 23 49.954 -8.048 2.302 173 2HB LEU 23 HB1 LEU 23 48.211 -7.900 2.211 174 HG LEU 23 HG LEU 23 49.054 -5.476 1.152 175 1HD1 LEU 23 HD11 LEU 23 51.075 -5.601 0.158 176 2HD1 LEU 23 HD12 LEU 23 50.734 -7.195 -0.503 177 3HD1 LEU 23 HD13 LEU 23 51.370 -7.040 1.130 178 1HD2 LEU 23 HD21 LEU 23 47.875 -7.945 0.128 179 2HD2 LEU 23 HD22 LEU 23 48.883 -7.163 -1.086 180 3HD2 LEU 23 HD23 LEU 23 47.557 -6.276 -0.342 181 H ILE 24 HN ILE 24 50.581 -5.485 5.423 182 HA ILE 24 HA ILE 24 52.498 -4.220 3.497 183 HB ILE 24 HB ILE 24 51.886 -3.352 6.318 184 1HG1 ILE 24 HG12 ILE 24 49.895 -3.010 4.984 185 2HG1 ILE 24 HG11 ILE 24 50.708 -1.459 5.166 186 1HG2 ILE 24 HG21 ILE 24 53.493 -1.778 6.006 187 2HG2 ILE 24 HG22 ILE 24 52.975 -1.456 4.358 188 3HG2 ILE 24 HG23 ILE 24 54.054 -2.808 4.692 189 1HD1 ILE 24 HD11 ILE 24 50.312 -1.443 2.886 190 2HD1 ILE 24 HD12 ILE 24 50.471 -3.193 2.743 191 3HD1 ILE 24 HD13 ILE 24 51.909 -2.189 2.925 192 H ARG 25 HN ARG 25 54.501 -4.929 3.532 193 HA ARG 25 HA ARG 25 55.844 -5.623 6.012 194 1HB ARG 25 HB2 ARG 25 55.424 -7.740 3.924 195 2HB ARG 25 HB1 ARG 25 56.794 -7.766 5.016 196 1HG ARG 25 HG2 ARG 25 55.282 -7.704 6.947 197 2HG ARG 25 HG1 ARG 25 53.889 -7.747 5.839 198 1HD ARG 25 HD2 ARG 25 54.982 -9.883 4.863 199 2HD ARG 25 HD1 ARG 25 55.997 -9.863 6.295 200 HE ARG 25 HE ARG 25 54.121 -10.473 7.620 201 1HH1 ARG 25 HH21 ARG 25 53.299 -9.611 4.385 202 2HH1 ARG 25 HH22 ARG 25 51.673 -10.197 4.498 203 1HH2 ARG 25 HH11 ARG 25 51.998 -11.245 7.788 204 2HH2 ARG 25 HH12 ARG 25 50.937 -11.124 6.425 205 H CYS 26 HN CYS 26 58.082 -6.207 5.635 206 HA CYS 26 HA CYS 26 59.374 -4.295 3.842 207 1HB CYS 26 HB2 CYS 26 59.895 -5.866 6.216 208 2HB CYS 26 HB1 CYS 26 61.237 -5.969 5.083 209 H ILE 27 HN ILE 27 60.678 -4.963 2.063 210 HA ILE 27 HA ILE 27 60.011 -7.463 0.828 211 HB ILE 27 HB ILE 27 60.961 -5.310 -0.260 212 1HG1 ILE 27 HG12 ILE 27 62.361 -7.842 -1.108 213 2HG1 ILE 27 HG11 ILE 27 60.616 -7.665 -1.280 214 1HG2 ILE 27 HG21 ILE 27 63.641 -6.525 -0.118 215 2HG2 ILE 27 HG22 ILE 27 63.087 -5.819 1.394 216 3HG2 ILE 27 HG23 ILE 27 63.170 -4.829 -0.065 217 1HD1 ILE 27 HD11 ILE 27 61.756 -5.259 -2.258 218 2HD1 ILE 27 HD12 ILE 27 60.966 -6.528 -3.196 219 3HD1 ILE 27 HD13 ILE 27 62.709 -6.575 -2.942 220 H ASN 28 HN ASN 28 62.413 -6.467 3.171 221 HA ASN 28 HA ASN 28 63.667 -9.180 3.022 222 1HB ASN 28 HB2 ASN 28 65.681 -8.159 3.185 223 2HB ASN 28 HB1 ASN 28 64.853 -6.619 3.020 224 1HD2 ASN 28 HD21 ASN 28 65.570 -5.236 4.671 225 2HD2 ASN 28 HD22 ASN 28 65.838 -5.700 6.278 226 H CYS 29 HN CYS 29 62.747 -6.657 5.409 227 HA CYS 29 HA CYS 29 63.103 -8.418 7.647 228 1HB CYS 29 HB2 CYS 29 61.391 -5.918 7.604 229 2HB CYS 29 HB1 CYS 29 62.170 -6.650 8.994 230 H GLN 30 HN GLN 30 60.585 -7.761 5.433 231 HA GLN 30 HA GLN 30 58.574 -8.827 5.005 232 1HB GLN 30 HB2 GLN 30 59.437 -10.810 7.115 233 2HB GLN 30 HB1 GLN 30 58.250 -11.069 5.830 234 1HG GLN 30 HG2 GLN 30 61.194 -10.530 5.498 235 2HG GLN 30 HG1 GLN 30 60.348 -12.020 5.121 236 1HE2 GLN 30 HE21 GLN 30 61.159 -8.880 3.981 237 2HE2 GLN 30 HE22 GLN 30 60.332 -8.946 2.512 238 H LYS 31 HN LYS 31 57.988 -10.433 7.777 239 HA LYS 31 HA LYS 31 55.609 -9.187 8.485 240 1HB LYS 31 HB2 LYS 31 57.414 -11.109 9.747 241 2HB LYS 31 HB1 LYS 31 56.445 -10.185 10.895 242 1HG LYS 31 HG2 LYS 31 54.397 -10.819 9.728 243 2HG LYS 31 HG1 LYS 31 55.333 -11.666 8.496 244 1HD LYS 31 HD2 LYS 31 56.274 -13.124 10.325 245 2HD LYS 31 HD1 LYS 31 55.127 -12.372 11.434 246 1HE LYS 31 HE2 LYS 31 54.109 -14.405 10.642 247 2HE LYS 31 HE1 LYS 31 53.284 -13.067 9.842 248 1HZ LYS 31 HZ1 LYS 31 53.748 -14.520 8.120 249 2HZ LYS 31 HZ2 LYS 31 55.276 -14.938 8.735 250 3HZ LYS 31 HZ3 LYS 31 55.031 -13.416 8.021 251 HA PRO 32 HA PRO 32 57.793 -6.867 12.135 252 1HB PRO 32 HB2 PRO 32 60.506 -6.621 11.629 253 2HB PRO 32 HB1 PRO 32 59.775 -7.768 12.755 254 1HG PRO 32 HG2 PRO 32 60.704 -8.167 9.962 255 2HG PRO 32 HG1 PRO 32 60.823 -9.254 11.354 256 1HD PRO 32 HD2 PRO 32 59.018 -9.669 9.465 257 2HD PRO 32 HD1 PRO 32 58.615 -9.950 11.173 258 H LEU 33 HN LEU 33 56.614 -5.299 10.616 259 HA LEU 33 HA LEU 33 58.603 -3.509 9.256 260 1HB LEU 33 HB2 LEU 33 56.646 -4.749 7.968 261 2HB LEU 33 HB1 LEU 33 55.655 -3.509 8.738 262 HG LEU 33 HG LEU 33 57.097 -1.759 7.728 263 1HD1 LEU 33 HD11 LEU 33 59.002 -2.299 6.595 264 2HD1 LEU 33 HD12 LEU 33 58.184 -3.577 5.694 265 3HD1 LEU 33 HD13 LEU 33 58.839 -3.913 7.282 266 1HD2 LEU 33 HD21 LEU 33 55.070 -3.298 6.588 267 2HD2 LEU 33 HD22 LEU 33 56.323 -3.309 5.349 268 3HD2 LEU 33 HD23 LEU 33 55.679 -1.775 5.944 269 H SER 34 HN SER 34 58.921 -1.657 10.246 270 HA SER 34 HA SER 34 57.232 -0.899 12.476 271 1HB SER 34 HB2 SER 34 58.814 0.998 12.698 272 2HB SER 34 HB1 SER 34 59.683 -0.530 12.581 273 HG SER 34 HG SER 34 59.498 0.105 10.156 274 HA PRO 35 HA PRO 35 54.587 1.211 9.643 275 1HB PRO 35 HB2 PRO 35 53.475 2.950 11.552 276 2HB PRO 35 HB1 PRO 35 52.828 1.387 11.029 277 1HG PRO 35 HG2 PRO 35 54.242 2.082 13.483 278 2HG PRO 35 HG1 PRO 35 53.170 0.724 13.133 279 1HD PRO 35 HD2 PRO 35 55.921 0.535 13.389 280 2HD PRO 35 HD1 PRO 35 54.890 -0.658 12.567 281 H GLU 36 HN GLU 36 57.069 2.429 11.538 282 HA GLU 36 HA GLU 36 56.940 5.220 10.877 283 1HB GLU 36 HB2 GLU 36 58.467 4.215 12.605 284 2HB GLU 36 HB1 GLU 36 59.428 3.533 11.293 285 1HG GLU 36 HG2 GLU 36 59.767 5.835 10.391 286 2HG GLU 36 HG1 GLU 36 58.898 6.479 11.784 287 H GLU 37 HN GLU 37 58.383 2.388 9.214 288 HA GLU 37 HA GLU 37 59.433 4.048 7.060 289 1HB GLU 37 HB2 GLU 37 58.903 1.068 7.216 290 2HB GLU 37 HB1 GLU 37 59.764 1.875 5.907 291 1HG GLU 37 HG2 GLU 37 61.415 2.738 7.536 292 2HG GLU 37 HG1 GLU 37 60.583 1.859 8.818 293 H LYS 38 HN LYS 38 56.491 2.226 7.681 294 HA LYS 38 HA LYS 38 55.273 2.398 5.108 295 1HB LYS 38 HB2 LYS 38 53.941 2.618 7.840 296 2HB LYS 38 HB1 LYS 38 53.139 2.197 6.334 297 1HG LYS 38 HG2 LYS 38 54.559 0.165 6.176 298 2HG LYS 38 HG1 LYS 38 55.272 0.564 7.738 299 1HD LYS 38 HD2 LYS 38 52.846 0.622 8.635 300 2HD LYS 38 HD1 LYS 38 52.402 -0.158 7.122 301 1HE LYS 38 HE2 LYS 38 54.535 -1.684 7.909 302 2HE LYS 38 HE1 LYS 38 53.804 -1.274 9.455 303 1HZ LYS 38 HZ1 LYS 38 52.963 -3.232 7.761 304 2HZ LYS 38 HZ2 LYS 38 51.852 -1.974 7.497 305 3HZ LYS 38 HZ3 LYS 38 52.085 -2.591 9.062 306 H GLN 39 HN GLN 39 55.532 4.470 7.907 307 HA GLN 39 HA GLN 39 53.826 6.547 7.071 308 1HB GLN 39 HB2 GLN 39 54.767 6.324 9.381 309 2HB GLN 39 HB1 GLN 39 56.333 6.841 8.749 310 1HG GLN 39 HG2 GLN 39 55.150 8.778 9.659 311 2HG GLN 39 HG1 GLN 39 55.258 8.926 7.901 312 1HE2 GLN 39 HE21 GLN 39 53.390 8.382 6.650 313 2HE2 GLN 39 HE22 GLN 39 51.836 8.371 7.310 314 H ARG 40 HN ARG 40 57.264 5.974 6.425 315 HA ARG 40 HA ARG 40 57.777 8.443 5.119 316 1HB ARG 40 HB2 ARG 40 59.531 6.771 5.711 317 2HB ARG 40 HB1 ARG 40 58.930 5.728 4.420 318 1HG ARG 40 HG2 ARG 40 59.364 7.546 2.780 319 2HG ARG 40 HG1 ARG 40 60.031 8.534 4.080 320 1HD ARG 40 HD2 ARG 40 61.720 6.751 4.519 321 2HD ARG 40 HD1 ARG 40 61.093 5.857 3.134 322 HE ARG 40 HE ARG 40 62.054 7.503 1.677 323 1HH1 ARG 40 HH21 ARG 40 62.363 8.228 5.037 324 2HH1 ARG 40 HH22 ARG 40 63.545 9.469 4.793 325 1HH2 ARG 40 HH11 ARG 40 63.592 9.121 1.344 326 2HH2 ARG 40 HH12 ARG 40 64.243 9.975 2.704 327 H HIS 41 HN HIS 41 56.416 5.375 3.891 328 HA HIS 41 HA HIS 41 56.328 6.268 1.145 329 1HB HIS 41 HB2 HIS 41 54.354 4.314 2.360 330 2HB HIS 41 HB1 HIS 41 54.919 4.400 0.694 331 HD1 HIS 41 HD1 HIS 41 57.960 4.801 1.348 332 HD2 HIS 41 HD2 HIS 41 55.539 1.851 3.008 333 HE1 HIS 41 HE1 HIS 41 59.514 3.005 2.215 334 H LEU 42 HN LEU 42 53.995 6.385 3.787 335 HA LEU 42 HA LEU 42 51.911 7.754 2.360 336 1HB LEU 42 HB2 LEU 42 52.630 7.878 5.298 337 2HB LEU 42 HB1 LEU 42 51.071 8.300 4.606 338 HG LEU 42 HG LEU 42 52.358 5.552 4.547 339 1HD1 LEU 42 HD11 LEU 42 49.817 5.540 5.799 340 2HD1 LEU 42 HD12 LEU 42 50.699 6.901 6.490 341 3HD1 LEU 42 HD13 LEU 42 51.385 5.277 6.563 342 1HD2 LEU 42 HD21 LEU 42 49.728 5.236 3.863 343 2HD2 LEU 42 HD22 LEU 42 51.045 5.354 2.695 344 3HD2 LEU 42 HD23 LEU 42 50.093 6.783 3.101 345 H ASP 43 HN ASP 43 54.801 8.771 4.063 346 HA ASP 43 HA ASP 43 54.324 11.533 4.288 347 1HB ASP 43 HB2 ASP 43 56.927 10.046 3.927 348 2HB ASP 43 HB1 ASP 43 56.815 11.749 4.358 349 H LYS 44 HN LYS 44 55.611 9.641 1.624 350 HA LYS 44 HA LYS 44 54.875 10.644 -0.633 351 1HB LYS 44 HB2 LYS 44 54.771 12.960 0.265 352 2HB LYS 44 HB1 LYS 44 56.529 12.966 0.413 353 1HG LYS 44 HG2 LYS 44 56.036 14.051 -1.641 354 2HG LYS 44 HG1 LYS 44 56.534 12.419 -2.102 355 1HD LYS 44 HD2 LYS 44 54.298 11.711 -2.442 356 2HD LYS 44 HD1 LYS 44 53.639 13.103 -1.587 357 1HE LYS 44 HE2 LYS 44 54.126 12.842 -4.380 358 2HE LYS 44 HE1 LYS 44 53.565 14.273 -3.520 359 1HZ LYS 44 HZ1 LYS 44 55.591 15.198 -3.556 360 2HZ LYS 44 HZ2 LYS 44 55.864 14.149 -4.863 361 3HZ LYS 44 HZ3 LYS 44 56.401 13.730 -3.307 362 H LYS 45 HN LYS 45 56.293 8.629 -0.453 363 HA LYS 45 HA LYS 45 59.181 9.003 -0.732 364 1HB LYS 45 HB2 LYS 45 58.137 6.882 0.127 365 2HB LYS 45 HB1 LYS 45 57.542 6.573 -1.506 366 1HG LYS 45 HG2 LYS 45 59.889 6.693 -2.345 367 2HG LYS 45 HG1 LYS 45 60.442 6.896 -0.683 368 1HD LYS 45 HD2 LYS 45 59.361 4.723 -0.094 369 2HD LYS 45 HD1 LYS 45 58.953 4.503 -1.797 370 1HE LYS 45 HE2 LYS 45 61.738 4.747 -0.624 371 2HE LYS 45 HE1 LYS 45 61.015 3.300 -1.328 372 1HZ LYS 45 HZ1 LYS 45 62.377 5.376 -2.631 373 2HZ LYS 45 HZ2 LYS 45 60.771 5.368 -3.184 374 3HZ LYS 45 HZ3 LYS 45 61.721 3.963 -3.300 375 H GLN 46 HN GLN 46 60.374 8.999 -2.709 376 HA GLN 46 HA GLN 46 59.097 10.134 -4.965 377 1HB GLN 46 HB2 GLN 46 61.628 8.461 -4.847 378 2HB GLN 46 HB1 GLN 46 61.138 9.445 -6.228 379 1HG GLN 46 HG2 GLN 46 61.193 11.463 -4.835 380 2HG GLN 46 HG1 GLN 46 61.635 10.495 -3.427 381 1HE2 GLN 46 HE21 GLN 46 63.386 12.521 -4.221 382 2HE2 GLN 46 HE22 GLN 46 64.785 11.844 -4.906 383 H ARG 47 HN ARG 47 59.738 6.708 -4.173 384 HA ARG 47 HA ARG 47 57.565 6.000 -6.019 385 1HB ARG 47 HB2 ARG 47 60.381 4.977 -6.431 386 2HB ARG 47 HB1 ARG 47 58.952 4.271 -7.188 387 1HG ARG 47 HG2 ARG 47 58.419 6.507 -8.164 388 2HG ARG 47 HG1 ARG 47 59.938 7.117 -7.502 389 1HD ARG 47 HD2 ARG 47 61.141 5.321 -8.780 390 2HD ARG 47 HD1 ARG 47 59.606 4.899 -9.539 391 HE ARG 47 HE ARG 47 59.633 7.013 -10.694 392 1HH1 ARG 47 HH21 ARG 47 62.329 6.469 -8.605 393 2HH1 ARG 47 HH22 ARG 47 63.303 7.704 -9.326 394 1HH2 ARG 47 HH11 ARG 47 60.893 8.629 -11.640 395 2HH2 ARG 47 HH12 ARG 47 62.491 8.927 -11.041 396 H PHE 48 HN PHE 48 56.338 4.576 -4.967 397 HA PHE 48 HA PHE 48 57.682 2.604 -3.181 398 1HB PHE 48 HB2 PHE 48 56.185 4.326 -2.008 399 2HB PHE 48 HB1 PHE 48 54.836 3.604 -2.870 400 HD1 PHE 48 HD1 PHE 48 57.743 1.713 -1.421 401 HD2 PHE 48 HD2 PHE 48 53.589 2.776 -1.050 402 HE1 PHE 48 HE1 PHE 48 57.466 0.015 0.330 403 HE2 PHE 48 HE2 PHE 48 53.324 1.064 0.723 404 HZ PHE 48 HZ PHE 48 55.263 -0.318 1.410 405 H HIS 49 HN HIS 49 57.161 0.388 -3.728 406 HA HIS 49 HA HIS 49 55.258 0.180 -6.037 407 1HB HIS 49 HB2 HIS 49 57.716 -1.470 -5.428 408 2HB HIS 49 HB1 HIS 49 56.638 -1.724 -6.792 409 HD1 HIS 49 HD1 HIS 49 56.289 0.618 -8.293 410 HD2 HIS 49 HD2 HIS 49 59.795 0.221 -6.072 411 HE1 HIS 49 HE1 HIS 49 57.949 2.257 -9.277 412 H ASN 50 HN ASN 50 53.725 -1.423 -6.075 413 HA ASN 50 HA ASN 50 53.544 -3.125 -3.622 414 1HB ASN 50 HB2 ASN 50 51.747 -1.412 -3.816 415 2HB ASN 50 HB1 ASN 50 51.241 -2.163 -5.321 416 1HD2 ASN 50 HD21 ASN 50 51.787 -2.948 -1.860 417 2HD2 ASN 50 HD22 ASN 50 50.631 -4.189 -1.803 418 H ILE 51 HN ILE 51 53.302 -5.261 -3.868 419 HA ILE 51 HA ILE 51 52.793 -6.351 -6.612 420 HB ILE 51 HB ILE 51 54.154 -7.723 -4.264 421 1HG1 ILE 51 HG12 ILE 51 55.374 -6.727 -6.849 422 2HG1 ILE 51 HG11 ILE 51 55.517 -5.886 -5.303 423 1HG2 ILE 51 HG21 ILE 51 54.271 -8.677 -7.098 424 2HG2 ILE 51 HG22 ILE 51 52.798 -8.973 -6.174 425 3HG2 ILE 51 HG23 ILE 51 54.340 -9.604 -5.599 426 1HD1 ILE 51 HD11 ILE 51 57.456 -7.163 -5.285 427 2HD1 ILE 51 HD12 ILE 51 56.709 -8.485 -6.181 428 3HD1 ILE 51 HD13 ILE 51 56.337 -8.257 -4.472 429 H ARG 52 HN ARG 52 50.932 -7.726 -6.730 430 HA ARG 52 HA ARG 52 48.995 -7.402 -4.695 431 1HB ARG 52 HB2 ARG 52 48.502 -8.132 -7.046 432 2HB ARG 52 HB1 ARG 52 49.167 -9.715 -6.652 433 1HG ARG 52 HG2 ARG 52 46.813 -9.942 -6.378 434 2HG ARG 52 HG1 ARG 52 47.456 -9.796 -4.744 435 1HD ARG 52 HD2 ARG 52 46.898 -7.368 -4.767 436 2HD ARG 52 HD1 ARG 52 46.213 -7.559 -6.378 437 HE ARG 52 HE ARG 52 45.014 -8.498 -3.857 438 1HH1 ARG 52 HH21 ARG 52 45.132 -8.555 -7.303 439 2HH1 ARG 52 HH22 ARG 52 43.508 -9.134 -7.481 440 1HH2 ARG 52 HH11 ARG 52 42.891 -9.247 -4.071 441 2HH2 ARG 52 HH12 ARG 52 42.241 -9.526 -5.652 442 H GLY 53 HN GLY 53 48.868 -8.264 -2.727 443 1HA GLY 53 HA2 GLY 53 48.849 -10.055 -1.135 444 2HA GLY 53 HA1 GLY 53 49.869 -11.001 -2.222 445 H ARG 54 HN ARG 54 51.600 -8.512 -2.594 446 HA ARG 54 HA ARG 54 52.910 -8.425 0.078 447 1HB ARG 54 HB2 ARG 54 53.957 -10.224 -1.296 448 2HB ARG 54 HB1 ARG 54 54.372 -9.014 -2.508 449 1HG ARG 54 HG2 ARG 54 55.682 -7.777 -0.802 450 2HG ARG 54 HG1 ARG 54 55.303 -9.033 0.377 451 1HD ARG 54 HD2 ARG 54 56.366 -10.714 -1.134 452 2HD ARG 54 HD1 ARG 54 56.837 -9.400 -2.211 453 HE ARG 54 HE ARG 54 57.767 -8.854 0.451 454 1HH1 ARG 54 HH21 ARG 54 58.255 -10.863 -2.309 455 2HH1 ARG 54 HH22 ARG 54 59.945 -11.094 -2.007 456 1HH2 ARG 54 HH11 ARG 54 59.970 -9.148 0.862 457 2HH2 ARG 54 HH12 ARG 54 60.916 -10.122 -0.213 458 H TRP 55 HN TRP 55 54.079 -6.502 0.485 459 HA TRP 55 HA TRP 55 53.771 -4.367 -1.591 460 1HB TRP 55 HB2 TRP 55 53.115 -4.387 1.194 461 2HB TRP 55 HB1 TRP 55 54.480 -3.286 0.986 462 HD1 TRP 55 HD1 TRP 55 50.794 -3.423 0.569 463 HE1 TRP 55 HE1 TRP 55 49.968 -1.401 -0.798 464 HE3 TRP 55 HE3 TRP 55 55.251 -1.648 -1.132 465 HZ2 TRP 55 HZ2 TRP 55 51.079 0.685 -2.426 466 HZ3 TRP 55 HZ3 TRP 55 55.331 0.357 -2.562 467 HH2 TRP 55 HH2 TRP 55 53.261 1.533 -3.215 468 H THR 56 HN THR 56 55.730 -3.140 -2.160 469 HA THR 56 HA THR 56 58.189 -4.166 -0.812 470 HB THR 56 HB THR 56 57.627 -5.450 -2.950 471 HG1 THR 56 HG1 THR 56 60.088 -4.066 -3.009 472 1HG2 THR 56 HG21 THR 56 57.023 -3.244 -4.146 473 2HG2 THR 56 HG22 THR 56 57.993 -4.413 -5.042 474 3HG2 THR 56 HG23 THR 56 58.763 -3.009 -4.303 475 H GLY 57 HN GLY 57 60.137 -2.988 -1.335 476 1HA GLY 57 HA2 GLY 57 61.292 -1.022 -2.164 477 2HA GLY 57 HA1 GLY 57 59.741 -0.184 -2.236 478 H ARG 58 HN ARG 58 58.927 -1.208 0.392 479 HA ARG 58 HA ARG 58 59.865 0.894 2.047 480 1HB ARG 58 HB2 ARG 58 57.757 -0.228 2.445 481 2HB ARG 58 HB1 ARG 58 58.621 -1.727 2.804 482 1HG ARG 58 HG2 ARG 58 59.775 -0.650 4.647 483 2HG ARG 58 HG1 ARG 58 58.933 0.868 4.291 484 1HD ARG 58 HD2 ARG 58 57.588 -1.716 4.918 485 2HD ARG 58 HD1 ARG 58 57.849 -0.470 6.120 486 HE ARG 58 HE ARG 58 56.226 0.910 4.935 487 1HH1 ARG 58 HH21 ARG 58 56.739 -2.241 3.605 488 2HH1 ARG 58 HH22 ARG 58 55.234 -2.262 2.750 489 1HH2 ARG 58 HH11 ARG 58 54.258 0.878 3.834 490 2HH2 ARG 58 HH12 ARG 58 53.835 -0.501 2.875 491 H CYS 59 HN CYS 59 60.980 -2.438 1.879 492 HA CYS 59 HA CYS 59 62.692 -2.173 4.129 493 1HB CYS 59 HB2 CYS 59 62.014 -4.278 2.749 494 2HB CYS 59 HB1 CYS 59 63.416 -3.839 1.787 495 H MET 60 HN MET 60 62.965 -1.144 0.786 496 HA MET 60 HA MET 60 65.757 -0.777 0.607 497 1HB MET 60 HB2 MET 60 64.079 -0.298 -1.230 498 2HB MET 60 HB1 MET 60 63.670 1.195 -0.383 499 1HG MET 60 HG2 MET 60 66.092 1.848 -0.500 500 2HG MET 60 HG1 MET 60 66.379 0.429 -1.505 501 1HE MET 60 HE1 MET 60 64.745 0.853 -4.690 502 2HE MET 60 HE2 MET 60 63.494 0.517 -3.497 503 3HE MET 60 HE3 MET 60 65.086 -0.217 -3.322 504 H SER 61 HN SER 61 63.255 1.094 2.250 505 HA SER 61 HA SER 61 64.866 3.312 3.049 506 1HB SER 61 HB2 SER 61 62.633 1.993 4.629 507 2HB SER 61 HB1 SER 61 63.220 3.642 4.825 508 HG SER 61 HG SER 61 62.665 3.399 2.294 509 H CYS 62 HN CYS 62 64.455 0.036 4.308 510 HA CYS 62 HA CYS 62 65.893 0.350 6.750 511 1HB CYS 62 HB2 CYS 62 65.622 -2.091 4.956 512 2HB CYS 62 HB1 CYS 62 66.313 -2.099 6.545 513 H SER 63 HN SER 63 66.947 0.037 3.428 514 HA SER 63 HA SER 63 69.779 0.060 4.407 515 1HB SER 63 HB2 SER 63 68.703 -0.965 1.764 516 2HB SER 63 HB1 SER 63 70.390 -0.987 2.265 517 HG SER 63 HG SER 63 69.748 -2.320 4.021 518 H ARG 64 HN ARG 64 71.194 1.562 3.430 519 HA ARG 64 HA ARG 64 69.890 3.549 1.617 520 1HB ARG 64 HB2 ARG 64 70.112 4.371 3.983 521 2HB ARG 64 HB1 ARG 64 71.859 4.188 3.831 522 1HG ARG 64 HG2 ARG 64 71.821 5.741 1.886 523 2HG ARG 64 HG1 ARG 64 70.092 5.976 2.138 524 1HD ARG 64 HD2 ARG 64 72.263 6.586 4.167 525 2HD ARG 64 HD1 ARG 64 71.388 7.782 3.209 526 HE ARG 64 HE ARG 64 69.786 5.977 4.933 527 1HH1 ARG 64 HH21 ARG 64 71.178 9.065 4.259 528 2HH1 ARG 64 HH22 ARG 64 70.138 9.915 5.352 529 1HH2 ARG 64 HH11 ARG 64 68.430 7.072 6.362 530 2HH2 ARG 64 HH12 ARG 64 68.583 8.788 6.542 531 H SER 65 HN SER 65 71.205 4.301 -0.066 532 HA SER 65 HA SER 65 73.362 2.654 -0.929 533 1HB SER 65 HB2 SER 65 73.704 4.299 -2.673 534 2HB SER 65 HB1 SER 65 71.971 4.145 -2.400 535 HG SER 65 HG SER 65 73.010 6.348 -2.478 536 H SER 66 HN SER 66 73.279 5.477 1.132 537 HA SER 66 HA SER 66 76.265 5.358 1.302 538 1HB SER 66 HB2 SER 66 76.233 7.730 1.886 539 2HB SER 66 HB1 SER 66 75.380 7.499 0.363 540 HG SER 66 HG SER 66 74.356 8.816 2.122 541 H ARG 67 HN ARG 67 77.151 5.631 3.457 542 HA ARG 67 HA ARG 67 75.352 4.550 5.534 543 1HB ARG 67 HB2 ARG 67 78.332 5.126 5.537 544 2HB ARG 67 HB1 ARG 67 77.455 4.370 6.869 545 1HG ARG 67 HG2 ARG 67 76.716 2.568 5.299 546 2HG ARG 67 HG1 ARG 67 77.729 3.291 4.049 547 1HD ARG 67 HD2 ARG 67 78.677 2.203 6.715 548 2HD ARG 67 HD1 ARG 67 78.953 1.476 5.132 549 HE ARG 67 HE ARG 67 80.411 3.741 6.252 550 1HH1 ARG 67 HH21 ARG 67 79.316 2.109 3.417 551 2HH1 ARG 67 HH22 ARG 67 80.577 2.739 2.409 552 1HH2 ARG 67 HH11 ARG 67 82.061 4.568 4.953 553 2HH2 ARG 67 HH12 ARG 67 82.131 4.129 3.279 Start of MODEL 6 1 H ALA 1 HT1 ALA 1 51.050 -2.170 -15.974 2 HA ALA 1 HA ALA 1 48.849 -3.064 -15.550 3 1HB ALA 1 HB1 ALA 1 49.096 -5.110 -16.881 4 2HB ALA 1 HB2 ALA 1 50.819 -5.162 -16.513 5 3HB ALA 1 HB3 ALA 1 50.169 -3.857 -17.505 6 H MET 2 HN MET 2 50.553 -6.063 -15.078 7 HA MET 2 HA MET 2 48.829 -6.958 -13.007 8 1HB MET 2 HB2 MET 2 51.646 -7.850 -13.692 9 2HB MET 2 HB1 MET 2 50.546 -8.730 -12.632 10 1HG MET 2 HG2 MET 2 50.075 -8.084 -15.557 11 2HG MET 2 HG1 MET 2 50.436 -9.674 -14.885 12 1HE MET 2 HE1 MET 2 49.227 -10.766 -13.141 13 2HE MET 2 HE2 MET 2 47.492 -10.692 -12.841 14 3HE MET 2 HE3 MET 2 48.563 -9.528 -12.067 15 H SER 3 HN SER 3 51.901 -5.227 -12.862 16 HA SER 3 HA SER 3 51.524 -5.100 -9.896 17 1HB SER 3 HB2 SER 3 54.107 -4.865 -11.471 18 2HB SER 3 HB1 SER 3 53.956 -4.779 -9.719 19 HG SER 3 HG SER 3 54.153 -6.867 -9.804 20 H TYR 4 HN TYR 4 51.712 -3.054 -8.940 21 HA TYR 4 HA TYR 4 52.232 -0.744 -10.736 22 1HB TYR 4 HB2 TYR 4 50.204 0.379 -10.210 23 2HB TYR 4 HB1 TYR 4 49.727 -1.265 -10.626 24 HD1 TYR 4 HD1 TYR 4 49.091 -2.881 -8.858 25 HD2 TYR 4 HD2 TYR 4 49.999 1.219 -7.952 26 HE1 TYR 4 HE1 TYR 4 48.026 -3.136 -6.634 27 HE2 TYR 4 HE2 TYR 4 48.937 0.963 -5.727 28 HH TYR 4 HH TYR 4 47.743 -0.374 -4.404 29 H SER 5 HN SER 5 52.439 1.313 -9.426 30 HA SER 5 HA SER 5 53.384 0.697 -6.657 31 1HB SER 5 HB2 SER 5 55.222 2.316 -7.050 32 2HB SER 5 HB1 SER 5 55.289 0.939 -8.128 33 HG SER 5 HG SER 5 55.556 2.780 -9.351 34 H LEU 6 HN LEU 6 53.231 2.410 -5.155 35 HA LEU 6 HA LEU 6 51.184 4.448 -5.908 36 1HB LEU 6 HB2 LEU 6 50.564 2.747 -4.231 37 2HB LEU 6 HB1 LEU 6 51.928 3.236 -3.244 38 HG LEU 6 HG LEU 6 50.975 5.506 -3.107 39 1HD1 LEU 6 HD11 LEU 6 48.265 4.982 -3.630 40 2HD1 LEU 6 HD12 LEU 6 49.117 4.304 -5.018 41 3HD1 LEU 6 HD13 LEU 6 49.324 6.005 -4.598 42 1HD2 LEU 6 HD21 LEU 6 48.826 4.394 -1.825 43 2HD2 LEU 6 HD22 LEU 6 50.464 4.431 -1.173 44 3HD2 LEU 6 HD23 LEU 6 49.880 2.997 -2.009 45 H TYR 7 HN TYR 7 52.045 6.467 -6.130 46 HA TYR 7 HA TYR 7 54.624 7.253 -5.143 47 1HB TYR 7 HB2 TYR 7 53.500 8.314 -7.118 48 2HB TYR 7 HB1 TYR 7 52.345 9.049 -6.001 49 HD1 TYR 7 HD1 TYR 7 55.769 9.089 -7.261 50 HD2 TYR 7 HD2 TYR 7 53.124 10.666 -4.268 51 HE1 TYR 7 HE1 TYR 7 57.431 10.842 -6.718 52 HE2 TYR 7 HE2 TYR 7 54.783 12.432 -3.735 53 HH TYR 7 HH TYR 7 57.476 12.565 -4.015 54 H GLY 8 HN GLY 8 51.293 7.712 -4.084 55 1HA GLY 8 HA2 GLY 8 50.692 7.920 -1.743 56 2HA GLY 8 HA1 GLY 8 52.295 8.553 -1.414 57 H THR 9 HN THR 9 51.080 9.959 -4.255 58 HA THR 9 HA THR 9 50.989 12.568 -3.126 59 HB THR 9 HB THR 9 49.920 13.284 -5.217 60 HG1 THR 9 HG1 THR 9 48.659 11.929 -6.146 61 1HG2 THR 9 HG21 THR 9 51.701 12.771 -6.645 62 2HG2 THR 9 HG22 THR 9 51.890 11.152 -5.985 63 3HG2 THR 9 HG23 THR 9 52.402 12.554 -5.044 64 H THR 10 HN THR 10 48.322 10.215 -3.576 65 HA THR 10 HA THR 10 46.768 11.677 -1.601 66 HB THR 10 HB THR 10 46.288 13.178 -3.406 67 HG1 THR 10 HG1 THR 10 44.347 13.006 -2.643 68 1HG2 THR 10 HG21 THR 10 46.120 12.570 -5.585 69 2HG2 THR 10 HG22 THR 10 45.100 11.181 -5.215 70 3HG2 THR 10 HG23 THR 10 46.851 11.057 -5.049 71 H LEU 11 HN LEU 11 46.711 9.244 -4.188 72 HA LEU 11 HA LEU 11 44.345 7.870 -3.444 73 1HB LEU 11 HB2 LEU 11 46.938 6.713 -4.493 74 2HB LEU 11 HB1 LEU 11 45.352 5.944 -4.588 75 HG LEU 11 HG LEU 11 46.176 8.549 -5.907 76 1HD1 LEU 11 HD11 LEU 11 45.864 7.343 -7.986 77 2HD1 LEU 11 HD12 LEU 11 45.263 5.926 -7.124 78 3HD1 LEU 11 HD13 LEU 11 46.953 6.401 -6.967 79 1HD2 LEU 11 HD21 LEU 11 43.525 7.244 -5.423 80 2HD2 LEU 11 HD22 LEU 11 43.780 8.056 -6.968 81 3HD2 LEU 11 HD23 LEU 11 43.939 8.959 -5.462 82 H GLU 12 HN GLU 12 47.630 7.609 -2.231 83 HA GLU 12 HA GLU 12 47.323 5.306 -0.613 84 1HB GLU 12 HB2 GLU 12 49.472 6.360 -1.207 85 2HB GLU 12 HB1 GLU 12 49.102 7.703 -0.133 86 1HG GLU 12 HG2 GLU 12 48.959 6.099 1.761 87 2HG GLU 12 HG1 GLU 12 49.430 4.796 0.672 88 H GLN 13 HN GLN 13 46.357 8.640 -0.011 89 HA GLN 13 HA GLN 13 46.199 8.518 2.802 90 1HB GLN 13 HB2 GLN 13 44.151 9.836 0.986 91 2HB GLN 13 HB1 GLN 13 44.533 10.280 2.652 92 1HG GLN 13 HG2 GLN 13 46.276 10.568 0.206 93 2HG GLN 13 HG1 GLN 13 45.731 11.834 1.304 94 1HE2 GLN 13 HE21 GLN 13 48.421 10.166 0.507 95 2HE2 GLN 13 HE22 GLN 13 49.221 10.112 1.996 96 H GLN 14 HN GLN 14 43.954 7.339 0.310 97 HA GLN 14 HA GLN 14 41.904 6.455 2.116 98 1HB GLN 14 HB2 GLN 14 42.728 5.389 -0.606 99 2HB GLN 14 HB1 GLN 14 41.248 4.936 0.242 100 1HG GLN 14 HG2 GLN 14 40.507 7.274 0.240 101 2HG GLN 14 HG1 GLN 14 41.999 7.760 -0.566 102 1HE2 GLN 14 HE21 GLN 14 39.481 8.247 -1.806 103 2HE2 GLN 14 HE22 GLN 14 39.344 7.250 -3.172 104 H TYR 15 HN TYR 15 44.874 4.995 0.884 105 HA TYR 15 HA TYR 15 44.456 2.409 2.047 106 1HB TYR 15 HB2 TYR 15 46.999 3.802 1.193 107 2HB TYR 15 HB1 TYR 15 46.937 2.132 1.740 108 HD1 TYR 15 HD1 TYR 15 43.904 2.989 0.024 109 HD2 TYR 15 HD2 TYR 15 48.006 1.855 -0.632 110 HE1 TYR 15 HE1 TYR 15 43.333 2.232 -2.255 111 HE2 TYR 15 HE2 TYR 15 47.423 1.108 -2.919 112 HH TYR 15 HH TYR 15 45.593 0.468 -4.233 113 H ASN 16 HN ASN 16 45.570 5.435 3.350 114 HA ASN 16 HA ASN 16 47.191 4.610 5.471 115 1HB ASN 16 HB2 ASN 16 46.575 6.976 4.826 116 2HB ASN 16 HB1 ASN 16 45.073 6.750 5.723 117 1HD2 ASN 16 HD21 ASN 16 45.271 7.675 7.761 118 2HD2 ASN 16 HD22 ASN 16 46.661 7.612 8.733 119 H LYS 17 HN LYS 17 43.599 4.569 5.422 120 HA LYS 17 HA LYS 17 43.379 3.821 8.187 121 1HB LYS 17 HB2 LYS 17 41.189 2.644 6.800 122 2HB LYS 17 HB1 LYS 17 41.197 4.083 7.800 123 1HG LYS 17 HG2 LYS 17 41.391 5.525 5.990 124 2HG LYS 17 HG1 LYS 17 42.165 4.324 4.976 125 1HD LYS 17 HD2 LYS 17 39.688 5.003 4.487 126 2HD LYS 17 HD1 LYS 17 40.153 3.317 4.371 127 1HE LYS 17 HE2 LYS 17 37.999 3.909 5.679 128 2HE LYS 17 HE1 LYS 17 39.115 2.763 6.411 129 1HZ LYS 17 HZ1 LYS 17 39.101 4.127 8.155 130 2HZ LYS 17 HZ2 LYS 17 38.340 5.375 7.289 131 3HZ LYS 17 HZ3 LYS 17 40.029 5.198 7.225 132 HA PRO 18 HA PRO 18 43.037 -0.736 6.705 133 1HB PRO 18 HB2 PRO 18 43.446 -1.330 4.096 134 2HB PRO 18 HB1 PRO 18 41.877 -0.776 4.715 135 1HG PRO 18 HG2 PRO 18 44.019 0.762 3.337 136 2HG PRO 18 HG1 PRO 18 42.268 0.791 3.064 137 1HD PRO 18 HD2 PRO 18 43.533 2.688 4.544 138 2HD PRO 18 HD1 PRO 18 41.876 2.171 4.868 139 H LEU 19 HN LEU 19 45.819 1.175 6.252 140 HA LEU 19 HA LEU 19 47.576 -0.591 4.976 141 1HB LEU 19 HB2 LEU 19 48.255 1.045 7.432 142 2HB LEU 19 HB1 LEU 19 49.420 0.321 6.326 143 HG LEU 19 HG LEU 19 47.401 2.476 5.693 144 1HD1 LEU 19 HD11 LEU 19 49.602 3.073 6.823 145 2HD1 LEU 19 HD12 LEU 19 49.321 3.855 5.268 146 3HD1 LEU 19 HD13 LEU 19 50.411 2.473 5.373 147 1HD2 LEU 19 HD21 LEU 19 47.388 1.191 3.726 148 2HD2 LEU 19 HD22 LEU 19 49.067 0.698 3.929 149 3HD2 LEU 19 HD23 LEU 19 48.687 2.341 3.412 150 H SER 20 HN SER 20 46.491 -0.768 8.406 151 HA SER 20 HA SER 20 48.109 -3.087 8.972 152 1HB SER 20 HB2 SER 20 45.328 -2.488 10.047 153 2HB SER 20 HB1 SER 20 46.535 -3.540 10.781 154 HG SER 20 HG SER 20 46.230 -0.876 10.992 155 H ASP 21 HN ASP 21 44.936 -2.527 7.569 156 HA ASP 21 HA ASP 21 44.214 -5.260 7.073 157 1HB ASP 21 HB2 ASP 21 43.330 -2.679 5.763 158 2HB ASP 21 HB1 ASP 21 42.598 -4.243 5.431 159 H LEU 22 HN LEU 22 46.070 -2.871 5.241 160 HA LEU 22 HA LEU 22 46.195 -4.557 2.853 161 1HB LEU 22 HB2 LEU 22 47.920 -2.160 3.541 162 2HB LEU 22 HB1 LEU 22 47.701 -2.876 1.951 163 HG LEU 22 HG LEU 22 45.582 -1.469 3.597 164 1HD1 LEU 22 HD11 LEU 22 45.817 0.316 2.176 165 2HD1 LEU 22 HD12 LEU 22 46.338 -0.691 0.826 166 3HD1 LEU 22 HD13 LEU 22 47.473 -0.293 2.114 167 1HD2 LEU 22 HD21 LEU 22 44.307 -1.792 1.345 168 2HD2 LEU 22 HD22 LEU 22 44.366 -3.138 2.484 169 3HD2 LEU 22 HD23 LEU 22 45.442 -3.118 1.086 170 H LEU 23 HN LEU 23 48.015 -5.677 2.125 171 HA LEU 23 HA LEU 23 49.576 -7.059 4.078 172 1HB LEU 23 HB2 LEU 23 50.905 -7.737 2.006 173 2HB LEU 23 HB1 LEU 23 49.169 -8.049 1.916 174 HG LEU 23 HG LEU 23 49.726 -5.338 1.061 175 1HD1 LEU 23 HD11 LEU 23 50.966 -7.385 -0.757 176 2HD1 LEU 23 HD12 LEU 23 51.931 -6.589 0.487 177 3HD1 LEU 23 HD13 LEU 23 51.148 -5.630 -0.770 178 1HD2 LEU 23 HD21 LEU 23 47.703 -6.699 0.552 179 2HD2 LEU 23 HD22 LEU 23 48.692 -7.743 -0.468 180 3HD2 LEU 23 HD23 LEU 23 48.465 -6.047 -0.899 181 H ILE 24 HN ILE 24 50.856 -5.605 5.372 182 HA ILE 24 HA ILE 24 52.922 -4.088 3.823 183 HB ILE 24 HB ILE 24 51.857 -3.429 6.585 184 1HG1 ILE 24 HG12 ILE 24 50.091 -3.025 4.971 185 2HG1 ILE 24 HG11 ILE 24 50.808 -1.469 5.382 186 1HG2 ILE 24 HG21 ILE 24 53.887 -2.236 4.727 187 2HG2 ILE 24 HG22 ILE 24 53.987 -2.496 6.470 188 3HG2 ILE 24 HG23 ILE 24 52.995 -1.187 5.826 189 1HD1 ILE 24 HD11 ILE 24 50.799 -1.294 3.083 190 2HD1 ILE 24 HD12 ILE 24 51.007 -3.027 2.842 191 3HD1 ILE 24 HD13 ILE 24 52.382 -2.031 3.321 192 H ARG 25 HN ARG 25 54.997 -4.771 4.165 193 HA ARG 25 HA ARG 25 56.118 -5.509 6.676 194 1HB ARG 25 HB2 ARG 25 54.506 -7.505 6.183 195 2HB ARG 25 HB1 ARG 25 55.688 -7.940 4.945 196 1HG ARG 25 HG2 ARG 25 57.463 -7.945 6.692 197 2HG ARG 25 HG1 ARG 25 56.238 -7.628 7.915 198 1HD ARG 25 HD2 ARG 25 56.302 -10.035 6.066 199 2HD ARG 25 HD1 ARG 25 56.737 -10.040 7.775 200 HE ARG 25 HE ARG 25 54.015 -9.096 7.116 201 1HH1 ARG 25 HH21 ARG 25 56.152 -11.579 8.194 202 2HH1 ARG 25 HH22 ARG 25 54.902 -12.504 8.957 203 1HH2 ARG 25 HH11 ARG 25 52.374 -10.292 8.103 204 2HH2 ARG 25 HH12 ARG 25 52.763 -11.776 8.905 205 H CYS 26 HN CYS 26 58.412 -6.535 6.237 206 HA CYS 26 HA CYS 26 59.671 -5.189 4.045 207 1HB CYS 26 HB2 CYS 26 60.442 -6.927 6.256 208 2HB CYS 26 HB1 CYS 26 61.259 -7.386 4.776 209 H ILE 27 HN ILE 27 60.458 -6.239 2.072 210 HA ILE 27 HA ILE 27 58.609 -8.297 1.119 211 HB ILE 27 HB ILE 27 59.400 -7.776 -0.999 212 1HG1 ILE 27 HG12 ILE 27 61.992 -6.935 0.300 213 2HG1 ILE 27 HG11 ILE 27 61.732 -8.374 -0.659 214 1HG2 ILE 27 HG21 ILE 27 59.826 -5.302 -1.037 215 2HG2 ILE 27 HG22 ILE 27 59.854 -5.358 0.719 216 3HG2 ILE 27 HG23 ILE 27 58.392 -5.805 -0.149 217 1HD1 ILE 27 HD11 ILE 27 61.483 -5.542 -1.688 218 2HD1 ILE 27 HD12 ILE 27 61.176 -7.005 -2.624 219 3HD1 ILE 27 HD13 ILE 27 62.801 -6.660 -2.034 220 H ASN 28 HN ASN 28 61.593 -8.277 2.695 221 HA ASN 28 HA ASN 28 62.091 -11.093 1.820 222 1HB ASN 28 HB2 ASN 28 64.261 -10.663 1.200 223 2HB ASN 28 HB1 ASN 28 63.643 -9.037 0.946 224 1HD2 ASN 28 HD21 ASN 28 65.022 -7.523 1.867 225 2HD2 ASN 28 HD22 ASN 28 65.881 -7.733 3.317 226 H CYS 29 HN CYS 29 62.925 -8.579 4.206 227 HA CYS 29 HA CYS 29 63.922 -10.400 6.181 228 1HB CYS 29 HB2 CYS 29 62.623 -7.705 6.651 229 2HB CYS 29 HB1 CYS 29 63.858 -8.488 7.645 230 H GLN 30 HN GLN 30 60.780 -9.063 5.474 231 HA GLN 30 HA GLN 30 58.637 -9.622 6.134 232 1HB GLN 30 HB2 GLN 30 59.840 -12.260 6.957 233 2HB GLN 30 HB1 GLN 30 58.158 -11.935 6.513 234 1HG GLN 30 HG2 GLN 30 60.593 -11.863 4.746 235 2HG GLN 30 HG1 GLN 30 59.128 -12.798 4.555 236 1HE2 GLN 30 HE21 GLN 30 60.668 -10.107 3.414 237 2HE2 GLN 30 HE22 GLN 30 59.331 -9.235 2.847 238 H LYS 31 HN LYS 31 60.020 -8.162 8.043 239 HA LYS 31 HA LYS 31 59.124 -9.426 10.601 240 1HB LYS 31 HB2 LYS 31 60.442 -7.158 11.363 241 2HB LYS 31 HB1 LYS 31 61.238 -8.722 11.183 242 1HG LYS 31 HG2 LYS 31 62.165 -8.162 9.119 243 2HG LYS 31 HG1 LYS 31 60.935 -6.943 8.785 244 1HD LYS 31 HD2 LYS 31 62.991 -5.785 9.311 245 2HD LYS 31 HD1 LYS 31 61.887 -5.571 10.670 246 1HE LYS 31 HE2 LYS 31 64.106 -6.151 11.515 247 2HE LYS 31 HE1 LYS 31 62.991 -7.483 11.828 248 1HZ LYS 31 HZ1 LYS 31 65.377 -7.559 10.404 249 2HZ LYS 31 HZ2 LYS 31 64.132 -7.793 9.274 250 3HZ LYS 31 HZ3 LYS 31 64.260 -8.816 10.623 251 HA PRO 32 HA PRO 32 55.723 -6.616 10.897 252 1HB PRO 32 HB2 PRO 32 56.432 -5.101 13.190 253 2HB PRO 32 HB1 PRO 32 55.441 -6.572 13.175 254 1HG PRO 32 HG2 PRO 32 58.319 -6.237 13.782 255 2HG PRO 32 HG1 PRO 32 57.152 -7.391 14.451 256 1HD PRO 32 HD2 PRO 32 59.014 -8.167 12.666 257 2HD PRO 32 HD1 PRO 32 57.371 -8.854 12.630 258 H LEU 33 HN LEU 33 55.361 -4.489 10.007 259 HA LEU 33 HA LEU 33 57.890 -3.082 9.326 260 1HB LEU 33 HB2 LEU 33 55.786 -3.704 7.736 261 2HB LEU 33 HB1 LEU 33 55.252 -2.131 8.327 262 HG LEU 33 HG LEU 33 57.476 -1.195 7.642 263 1HD1 LEU 33 HD11 LEU 33 58.555 -2.726 5.788 264 2HD1 LEU 33 HD12 LEU 33 57.730 -4.028 6.644 265 3HD1 LEU 33 HD13 LEU 33 58.933 -3.060 7.484 266 1HD2 LEU 33 HD21 LEU 33 55.915 -2.549 5.428 267 2HD2 LEU 33 HD22 LEU 33 57.006 -1.182 5.220 268 3HD2 LEU 33 HD23 LEU 33 55.508 -0.982 6.137 269 H SER 34 HN SER 34 58.493 -1.324 10.278 270 HA SER 34 HA SER 34 57.128 -0.383 12.580 271 1HB SER 34 HB2 SER 34 58.844 1.281 12.719 272 2HB SER 34 HB1 SER 34 59.629 -0.141 12.041 273 HG SER 34 HG SER 34 58.774 1.013 9.961 274 HA PRO 35 HA PRO 35 54.214 1.782 10.015 275 1HB PRO 35 HB2 PRO 35 53.069 3.199 12.166 276 2HB PRO 35 HB1 PRO 35 52.476 1.692 11.453 277 1HG PRO 35 HG2 PRO 35 53.910 2.125 13.952 278 2HG PRO 35 HG1 PRO 35 52.902 0.766 13.442 279 1HD PRO 35 HD2 PRO 35 55.674 0.719 13.626 280 2HD PRO 35 HD1 PRO 35 54.695 -0.432 12.688 281 H GLU 36 HN GLU 36 56.621 2.839 12.140 282 HA GLU 36 HA GLU 36 56.375 5.706 11.744 283 1HB GLU 36 HB2 GLU 36 58.776 4.002 12.479 284 2HB GLU 36 HB1 GLU 36 58.735 5.765 12.550 285 1HG GLU 36 HG2 GLU 36 56.821 5.634 14.124 286 2HG GLU 36 HG1 GLU 36 56.942 3.877 14.100 287 H GLU 37 HN GLU 37 58.288 3.152 10.125 288 HA GLU 37 HA GLU 37 59.368 5.084 8.203 289 1HB GLU 37 HB2 GLU 37 59.343 2.056 8.244 290 2HB GLU 37 HB1 GLU 37 60.165 3.025 7.019 291 1HG GLU 37 HG2 GLU 37 60.699 3.134 10.002 292 2HG GLU 37 HG1 GLU 37 61.723 2.332 8.810 293 H LYS 38 HN LYS 38 56.739 2.844 8.483 294 HA LYS 38 HA LYS 38 55.766 2.836 5.819 295 1HB LYS 38 HB2 LYS 38 55.025 1.464 7.940 296 2HB LYS 38 HB1 LYS 38 54.001 2.862 8.254 297 1HG LYS 38 HG2 LYS 38 53.133 2.589 5.875 298 2HG LYS 38 HG1 LYS 38 53.922 1.006 5.897 299 1HD LYS 38 HD2 LYS 38 51.935 1.919 7.994 300 2HD LYS 38 HD1 LYS 38 51.504 0.933 6.597 301 1HE LYS 38 HE2 LYS 38 53.746 -0.339 7.698 302 2HE LYS 38 HE1 LYS 38 52.765 0.128 9.087 303 1HZ LYS 38 HZ1 LYS 38 52.349 -2.045 7.511 304 2HZ LYS 38 HZ2 LYS 38 51.205 -0.931 6.932 305 3HZ LYS 38 HZ3 LYS 38 51.218 -1.363 8.574 306 H GLN 39 HN GLN 39 55.457 4.899 8.608 307 HA GLN 39 HA GLN 39 53.518 6.705 7.663 308 1HB GLN 39 HB2 GLN 39 54.412 6.651 10.011 309 2HB GLN 39 HB1 GLN 39 55.911 7.354 9.409 310 1HG GLN 39 HG2 GLN 39 54.469 9.123 10.276 311 2HG GLN 39 HG1 GLN 39 54.630 9.283 8.522 312 1HE2 GLN 39 HE21 GLN 39 52.914 8.547 7.210 313 2HE2 GLN 39 HE22 GLN 39 51.343 8.357 7.792 314 H ARG 40 HN ARG 40 57.016 6.556 7.175 315 HA ARG 40 HA ARG 40 57.250 9.010 5.781 316 1HB ARG 40 HB2 ARG 40 59.169 7.599 6.593 317 2HB ARG 40 HB1 ARG 40 58.847 6.496 5.258 318 1HG ARG 40 HG2 ARG 40 60.568 7.940 4.472 319 2HG ARG 40 HG1 ARG 40 59.093 8.534 3.714 320 1HD ARG 40 HD2 ARG 40 58.899 10.257 5.502 321 2HD ARG 40 HD1 ARG 40 60.403 9.671 6.204 322 HE ARG 40 HE ARG 40 60.571 10.483 3.381 323 1HH1 ARG 40 HH21 ARG 40 60.885 11.264 6.724 324 2HH1 ARG 40 HH22 ARG 40 61.945 12.606 6.447 325 1HH2 ARG 40 HH11 ARG 40 61.952 12.235 3.000 326 2HH2 ARG 40 HH12 ARG 40 62.548 13.157 4.340 327 H HIS 41 HN HIS 41 56.364 5.723 4.668 328 HA HIS 41 HA HIS 41 56.339 6.395 1.863 329 1HB HIS 41 HB2 HIS 41 54.338 4.486 3.132 330 2HB HIS 41 HB1 HIS 41 54.899 4.510 1.473 331 HD1 HIS 41 HD1 HIS 41 57.978 4.792 2.100 332 HD2 HIS 41 HD2 HIS 41 55.410 2.010 3.838 333 HE1 HIS 41 HE1 HIS 41 59.428 2.858 2.882 334 H LEU 42 HN LEU 42 53.914 6.638 4.419 335 HA LEU 42 HA LEU 42 51.857 7.865 2.822 336 1HB LEU 42 HB2 LEU 42 52.431 8.185 5.780 337 2HB LEU 42 HB1 LEU 42 50.912 8.577 4.996 338 HG LEU 42 HG LEU 42 52.126 5.788 5.110 339 1HD1 LEU 42 HD11 LEU 42 50.029 7.186 6.780 340 2HD1 LEU 42 HD12 LEU 42 51.426 6.260 7.332 341 3HD1 LEU 42 HD13 LEU 42 50.048 5.431 6.616 342 1HD2 LEU 42 HD21 LEU 42 50.492 5.171 3.672 343 2HD2 LEU 42 HD22 LEU 42 50.131 6.877 3.424 344 3HD2 LEU 42 HD23 LEU 42 49.265 5.965 4.648 345 H ASP 43 HN ASP 43 54.706 9.034 4.508 346 HA ASP 43 HA ASP 43 54.187 11.790 4.528 347 1HB ASP 43 HB2 ASP 43 56.137 10.767 5.653 348 2HB ASP 43 HB1 ASP 43 56.899 10.553 4.075 349 H LYS 44 HN LYS 44 55.111 9.747 1.924 350 HA LYS 44 HA LYS 44 54.420 10.445 -0.339 351 1HB LYS 44 HB2 LYS 44 55.518 13.181 0.391 352 2HB LYS 44 HB1 LYS 44 54.879 12.707 -1.167 353 1HG LYS 44 HG2 LYS 44 53.211 12.728 1.385 354 2HG LYS 44 HG1 LYS 44 53.224 14.000 0.183 355 1HD LYS 44 HD2 LYS 44 52.531 12.290 -1.512 356 2HD LYS 44 HD1 LYS 44 52.378 11.131 -0.190 357 1HE LYS 44 HE2 LYS 44 51.032 13.634 0.443 358 2HE LYS 44 HE1 LYS 44 50.405 12.924 -1.045 359 1HZ LYS 44 HZ1 LYS 44 49.440 12.187 1.216 360 2HZ LYS 44 HZ2 LYS 44 50.839 11.230 1.321 361 3HZ LYS 44 HZ3 LYS 44 49.755 11.015 0.031 362 H LYS 45 HN LYS 45 56.019 8.835 -0.489 363 HA LYS 45 HA LYS 45 58.812 9.761 -0.826 364 1HB LYS 45 HB2 LYS 45 57.594 7.013 -1.051 365 2HB LYS 45 HB1 LYS 45 59.282 7.361 -1.421 366 1HG LYS 45 HG2 LYS 45 59.545 8.306 0.866 367 2HG LYS 45 HG1 LYS 45 57.891 7.791 1.232 368 1HD LYS 45 HD2 LYS 45 58.501 5.463 0.654 369 2HD LYS 45 HD1 LYS 45 60.152 5.992 0.337 370 1HE LYS 45 HE2 LYS 45 58.827 6.506 2.997 371 2HE LYS 45 HE1 LYS 45 59.652 4.989 2.664 372 1HZ LYS 45 HZ1 LYS 45 61.161 6.543 3.683 373 2HZ LYS 45 HZ2 LYS 45 60.850 7.695 2.473 374 3HZ LYS 45 HZ3 LYS 45 61.642 6.242 2.084 375 H GLN 46 HN GLN 46 59.999 9.362 -2.778 376 HA GLN 46 HA GLN 46 58.730 10.382 -5.078 377 1HB GLN 46 HB2 GLN 46 61.197 8.629 -4.845 378 2HB GLN 46 HB1 GLN 46 60.760 9.575 -6.271 379 1HG GLN 46 HG2 GLN 46 60.854 11.642 -4.946 380 2HG GLN 46 HG1 GLN 46 61.262 10.710 -3.505 381 1HE2 GLN 46 HE21 GLN 46 63.230 12.287 -3.719 382 2HE2 GLN 46 HE22 GLN 46 64.551 11.721 -4.628 383 H ARG 47 HN ARG 47 59.323 7.011 -4.047 384 HA ARG 47 HA ARG 47 57.139 6.157 -5.830 385 1HB ARG 47 HB2 ARG 47 59.947 5.053 -6.099 386 2HB ARG 47 HB1 ARG 47 58.524 4.356 -6.860 387 1HG ARG 47 HG2 ARG 47 59.481 7.192 -7.349 388 2HG ARG 47 HG1 ARG 47 59.883 5.827 -8.379 389 1HD ARG 47 HD2 ARG 47 57.430 5.427 -8.721 390 2HD ARG 47 HD1 ARG 47 57.105 6.912 -7.830 391 HE ARG 47 HE ARG 47 57.929 6.785 -10.570 392 1HH1 ARG 47 HH21 ARG 47 58.409 8.473 -7.600 393 2HH1 ARG 47 HH22 ARG 47 58.894 9.948 -8.365 394 1HH2 ARG 47 HH11 ARG 47 58.560 8.701 -11.583 395 2HH2 ARG 47 HH12 ARG 47 58.978 10.078 -10.620 396 H PHE 48 HN PHE 48 55.910 4.838 -4.568 397 HA PHE 48 HA PHE 48 57.321 2.973 -2.694 398 1HB PHE 48 HB2 PHE 48 55.573 4.732 -1.757 399 2HB PHE 48 HB1 PHE 48 54.380 3.674 -2.496 400 HD1 PHE 48 HD1 PHE 48 53.277 2.524 -0.811 401 HD2 PHE 48 HD2 PHE 48 57.558 2.892 -0.620 402 HE1 PHE 48 HE1 PHE 48 53.328 1.002 1.145 403 HE2 PHE 48 HE2 PHE 48 57.598 1.362 1.322 404 HZ PHE 48 HZ PHE 48 55.493 0.415 2.206 405 H HIS 49 HN HIS 49 57.007 0.733 -3.356 406 HA HIS 49 HA HIS 49 55.365 0.526 -5.839 407 1HB HIS 49 HB2 HIS 49 57.680 -1.133 -4.874 408 2HB HIS 49 HB1 HIS 49 56.805 -1.423 -6.374 409 HD1 HIS 49 HD1 HIS 49 56.909 0.571 -8.174 410 HD2 HIS 49 HD2 HIS 49 59.604 0.876 -5.011 411 HE1 HIS 49 HE1 HIS 49 58.628 2.295 -8.865 412 H ASN 50 HN ASN 50 53.801 -0.937 -6.149 413 HA ASN 50 HA ASN 50 53.085 -2.706 -3.860 414 1HB ASN 50 HB2 ASN 50 51.356 -1.034 -4.435 415 2HB ASN 50 HB1 ASN 50 51.299 -1.666 -6.073 416 1HD2 ASN 50 HD21 ASN 50 51.072 -2.916 -2.708 417 2HD2 ASN 50 HD22 ASN 50 49.852 -4.042 -3.046 418 H ILE 51 HN ILE 51 53.265 -4.820 -4.155 419 HA ILE 51 HA ILE 51 53.309 -5.907 -6.942 420 HB ILE 51 HB ILE 51 54.463 -7.176 -4.430 421 1HG1 ILE 51 HG12 ILE 51 55.801 -5.237 -4.847 422 2HG1 ILE 51 HG11 ILE 51 56.678 -6.584 -5.575 423 1HG2 ILE 51 HG21 ILE 51 54.665 -7.820 -7.386 424 2HG2 ILE 51 HG22 ILE 51 53.893 -8.800 -6.140 425 3HG2 ILE 51 HG23 ILE 51 55.644 -8.593 -6.141 426 1HD1 ILE 51 HD11 ILE 51 55.402 -5.983 -7.745 427 2HD1 ILE 51 HD12 ILE 51 56.716 -4.919 -7.250 428 3HD1 ILE 51 HD13 ILE 51 55.044 -4.452 -6.948 429 H ARG 52 HN ARG 52 51.685 -7.490 -7.357 430 HA ARG 52 HA ARG 52 49.432 -7.500 -5.638 431 1HB ARG 52 HB2 ARG 52 49.407 -8.163 -8.056 432 2HB ARG 52 HB1 ARG 52 50.184 -9.681 -7.606 433 1HG ARG 52 HG2 ARG 52 48.295 -10.242 -6.143 434 2HG ARG 52 HG1 ARG 52 47.523 -8.704 -6.529 435 1HD ARG 52 HD2 ARG 52 46.512 -10.396 -7.926 436 2HD ARG 52 HD1 ARG 52 47.537 -9.395 -8.955 437 HE ARG 52 HE ARG 52 49.219 -11.448 -8.214 438 1HH1 ARG 52 HH21 ARG 52 46.028 -11.233 -9.503 439 2HH1 ARG 52 HH22 ARG 52 46.144 -12.714 -10.393 440 1HH2 ARG 52 HH11 ARG 52 49.390 -13.381 -9.371 441 2HH2 ARG 52 HH12 ARG 52 48.048 -13.931 -10.318 442 H GLY 53 HN GLY 53 49.214 -8.379 -3.701 443 1HA GLY 53 HA2 GLY 53 49.140 -10.203 -2.154 444 2HA GLY 53 HA1 GLY 53 50.336 -11.054 -3.134 445 H ARG 54 HN ARG 54 51.931 -8.440 -3.244 446 HA ARG 54 HA ARG 54 52.927 -8.382 -0.434 447 1HB ARG 54 HB2 ARG 54 54.231 -10.047 -1.777 448 2HB ARG 54 HB1 ARG 54 54.701 -8.740 -2.865 449 1HG ARG 54 HG2 ARG 54 55.696 -7.532 -0.924 450 2HG ARG 54 HG1 ARG 54 55.310 -8.918 0.098 451 1HD ARG 54 HD2 ARG 54 57.088 -8.983 -2.359 452 2HD ARG 54 HD1 ARG 54 57.644 -9.033 -0.688 453 HE ARG 54 HE ARG 54 55.741 -11.148 -1.255 454 1HH1 ARG 54 HH21 ARG 54 59.014 -10.091 -1.515 455 2HH1 ARG 54 HH22 ARG 54 59.665 -11.694 -1.588 456 1HH2 ARG 54 HH11 ARG 54 56.575 -13.248 -1.354 457 2HH2 ARG 54 HH12 ARG 54 58.286 -13.480 -1.498 458 H TRP 55 HN TRP 55 53.816 -6.361 0.181 459 HA TRP 55 HA TRP 55 53.660 -4.232 -1.916 460 1HB TRP 55 HB2 TRP 55 52.499 -4.310 0.658 461 2HB TRP 55 HB1 TRP 55 53.850 -3.181 0.789 462 HD1 TRP 55 HD1 TRP 55 50.382 -3.468 -0.534 463 HE1 TRP 55 HE1 TRP 55 49.797 -1.411 -1.984 464 HE3 TRP 55 HE3 TRP 55 54.978 -1.308 -0.880 465 HZ2 TRP 55 HZ2 TRP 55 51.150 0.857 -3.151 466 HZ3 TRP 55 HZ3 TRP 55 55.274 0.812 -2.097 467 HH2 TRP 55 HH2 TRP 55 53.405 1.868 -3.249 468 H THR 56 HN THR 56 55.542 -2.917 -2.236 469 HA THR 56 HA THR 56 57.879 -3.770 -0.581 470 HB THR 56 HB THR 56 59.272 -3.835 -2.531 471 HG1 THR 56 HG1 THR 56 57.015 -3.053 -4.034 472 1HG2 THR 56 HG21 THR 56 58.159 -5.900 -2.330 473 2HG2 THR 56 HG22 THR 56 57.872 -5.444 -4.008 474 3HG2 THR 56 HG23 THR 56 56.607 -5.211 -2.802 475 H GLY 57 HN GLY 57 59.687 -2.305 -0.561 476 1HA GLY 57 HA2 GLY 57 60.066 0.211 -1.463 477 2HA GLY 57 HA1 GLY 57 58.802 0.481 -0.261 478 H ARG 58 HN ARG 58 59.298 -0.661 1.931 479 HA ARG 58 HA ARG 58 61.614 0.432 3.113 480 1HB ARG 58 HB2 ARG 58 59.703 -0.360 4.383 481 2HB ARG 58 HB1 ARG 58 60.084 -2.017 3.930 482 1HG ARG 58 HG2 ARG 58 62.303 -1.818 4.984 483 2HG ARG 58 HG1 ARG 58 61.936 -0.196 5.516 484 1HD ARG 58 HD2 ARG 58 60.576 -2.772 6.247 485 2HD ARG 58 HD1 ARG 58 61.559 -1.777 7.311 486 HE ARG 58 HE ARG 58 58.941 -1.460 7.460 487 1HH1 ARG 58 HH21 ARG 58 61.187 0.666 5.893 488 2HH1 ARG 58 HH22 ARG 58 60.054 1.953 5.779 489 1HH2 ARG 58 HH11 ARG 58 57.497 0.268 7.316 490 2HH2 ARG 58 HH12 ARG 58 58.016 1.746 6.592 491 H CYS 59 HN CYS 59 61.083 -2.868 2.011 492 HA CYS 59 HA CYS 59 63.567 -3.787 2.990 493 1HB CYS 59 HB2 CYS 59 61.448 -5.019 2.106 494 2HB CYS 59 HB1 CYS 59 62.348 -5.008 0.592 495 H MET 60 HN MET 60 62.677 -2.102 0.097 496 HA MET 60 HA MET 60 64.966 -2.712 -1.496 497 1HB MET 60 HB2 MET 60 63.419 -0.106 -1.251 498 2HB MET 60 HB1 MET 60 64.595 -0.453 -2.520 499 1HG MET 60 HG2 MET 60 63.240 -2.440 -3.180 500 2HG MET 60 HG1 MET 60 62.035 -1.980 -1.978 501 1HE MET 60 HE1 MET 60 60.000 -1.694 -3.723 502 2HE MET 60 HE2 MET 60 61.212 -2.543 -4.679 503 3HE MET 60 HE3 MET 60 60.357 -1.168 -5.373 504 H SER 61 HN SER 61 64.442 -0.475 1.186 505 HA SER 61 HA SER 61 67.023 0.789 1.081 506 1HB SER 61 HB2 SER 61 66.538 1.541 3.334 507 2HB SER 61 HB1 SER 61 65.042 1.618 2.407 508 HG SER 61 HG SER 61 65.559 -0.799 3.639 509 H CYS 62 HN CYS 62 65.830 -2.257 2.375 510 HA CYS 62 HA CYS 62 68.041 -2.874 4.080 511 1HB CYS 62 HB2 CYS 62 66.302 -4.804 2.486 512 2HB CYS 62 HB1 CYS 62 67.361 -5.228 3.823 513 H SER 63 HN SER 63 67.608 -2.965 0.622 514 HA SER 63 HA SER 63 69.760 -4.710 -0.064 515 1HB SER 63 HB2 SER 63 69.665 -3.693 -2.262 516 2HB SER 63 HB1 SER 63 68.018 -3.826 -1.652 517 HG SER 63 HG SER 63 68.467 -1.752 -2.523 518 H ARG 64 HN ARG 64 69.713 -1.386 1.023 519 HA ARG 64 HA ARG 64 72.255 -0.518 0.121 520 1HB ARG 64 HB2 ARG 64 70.817 0.107 2.719 521 2HB ARG 64 HB1 ARG 64 72.208 0.999 2.104 522 1HG ARG 64 HG2 ARG 64 70.930 1.531 0.042 523 2HG ARG 64 HG1 ARG 64 69.530 0.696 0.716 524 1HD ARG 64 HD2 ARG 64 69.259 3.057 1.161 525 2HD ARG 64 HD1 ARG 64 69.644 2.263 2.688 526 HE ARG 64 HE ARG 64 71.785 3.325 2.662 527 1HH1 ARG 64 HH21 ARG 64 69.951 3.804 -0.217 528 2HH1 ARG 64 HH22 ARG 64 70.982 5.057 -0.824 529 1HH2 ARG 64 HH11 ARG 64 73.143 4.954 1.886 530 2HH2 ARG 64 HH12 ARG 64 72.789 5.707 0.367 531 H SER 65 HN SER 65 71.355 -2.551 2.873 532 HA SER 65 HA SER 65 73.897 -2.575 4.173 533 1HB SER 65 HB2 SER 65 73.110 -4.576 5.293 534 2HB SER 65 HB1 SER 65 71.745 -3.475 5.125 535 HG SER 65 HG SER 65 72.391 -5.716 3.503 536 H SER 66 HN SER 66 72.697 -4.212 1.325 537 HA SER 66 HA SER 66 74.626 -6.308 1.169 538 1HB SER 66 HB2 SER 66 74.032 -6.448 -1.176 539 2HB SER 66 HB1 SER 66 72.568 -6.098 -0.263 540 HG SER 66 HG SER 66 73.462 -4.753 -2.267 541 H ARG 67 HN ARG 67 74.832 -2.883 0.471 542 HA ARG 67 HA ARG 67 77.532 -3.281 -0.722 543 1HB ARG 67 HB2 ARG 67 75.753 -0.827 -0.596 544 2HB ARG 67 HB1 ARG 67 77.353 -0.869 -1.337 545 1HG ARG 67 HG2 ARG 67 76.546 -2.695 -2.851 546 2HG ARG 67 HG1 ARG 67 74.930 -2.492 -2.173 547 1HD ARG 67 HD2 ARG 67 76.538 -0.381 -3.641 548 2HD ARG 67 HD1 ARG 67 75.102 -1.210 -4.245 549 HE ARG 67 HE ARG 67 74.090 -0.095 -2.011 550 1HH1 ARG 67 HH21 ARG 67 76.260 1.116 -4.400 551 2HH1 ARG 67 HH22 ARG 67 75.766 2.765 -4.208 552 1HH2 ARG 67 HH11 ARG 67 73.431 2.055 -1.745 553 2HH2 ARG 67 HH12 ARG 67 74.164 3.297 -2.705 Start of MODEL 7 1 H ALA 1 HT1 ALA 1 56.844 -5.755 -7.632 2 HA ALA 1 HA ALA 1 55.469 -4.037 -6.625 3 1HB ALA 1 HB1 ALA 1 57.599 -2.254 -7.275 4 2HB ALA 1 HB2 ALA 1 58.262 -3.887 -7.272 5 3HB ALA 1 HB3 ALA 1 57.440 -3.270 -5.841 6 H MET 2 HN MET 2 56.536 -3.414 -9.889 7 HA MET 2 HA MET 2 55.495 -0.811 -10.269 8 1HB MET 2 HB2 MET 2 55.835 -3.094 -12.229 9 2HB MET 2 HB1 MET 2 55.466 -1.434 -12.695 10 1HG MET 2 HG2 MET 2 57.543 -0.697 -11.497 11 2HG MET 2 HG1 MET 2 57.934 -2.394 -11.219 12 1HE MET 2 HE1 MET 2 57.940 0.008 -15.084 13 2HE MET 2 HE2 MET 2 57.377 0.460 -13.477 14 3HE MET 2 HE3 MET 2 56.364 -0.549 -14.505 15 H SER 3 HN SER 3 53.821 -3.946 -10.336 16 HA SER 3 HA SER 3 51.552 -3.208 -11.802 17 1HB SER 3 HB2 SER 3 51.549 -4.880 -9.274 18 2HB SER 3 HB1 SER 3 50.333 -4.913 -10.549 19 HG SER 3 HG SER 3 51.678 -5.986 -11.815 20 H TYR 4 HN TYR 4 52.122 -2.591 -8.277 21 HA TYR 4 HA TYR 4 50.228 -0.350 -8.617 22 1HB TYR 4 HB2 TYR 4 48.838 -2.290 -7.879 23 2HB TYR 4 HB1 TYR 4 49.797 -2.370 -6.405 24 HD1 TYR 4 HD1 TYR 4 49.564 -0.666 -4.658 25 HD2 TYR 4 HD2 TYR 4 47.462 -0.339 -8.384 26 HE1 TYR 4 HE1 TYR 4 48.170 1.136 -3.707 27 HE2 TYR 4 HE2 TYR 4 46.064 1.470 -7.436 28 HH TYR 4 HH TYR 4 46.524 3.263 -5.376 29 H SER 5 HN SER 5 50.792 1.412 -7.309 30 HA SER 5 HA SER 5 52.571 0.948 -5.010 31 1HB SER 5 HB2 SER 5 54.380 2.320 -5.839 32 2HB SER 5 HB1 SER 5 54.061 1.023 -6.982 33 HG SER 5 HG SER 5 54.281 3.290 -7.797 34 H LEU 6 HN LEU 6 52.996 2.950 -3.780 35 HA LEU 6 HA LEU 6 50.775 4.921 -4.183 36 1HB LEU 6 HB2 LEU 6 52.294 4.235 -1.651 37 2HB LEU 6 HB1 LEU 6 50.942 5.362 -1.774 38 HG LEU 6 HG LEU 6 50.841 2.398 -2.404 39 1HD1 LEU 6 HD11 LEU 6 50.710 3.732 0.066 40 2HD1 LEU 6 HD12 LEU 6 50.211 2.074 -0.263 41 3HD1 LEU 6 HD13 LEU 6 49.034 3.382 -0.357 42 1HD2 LEU 6 HD21 LEU 6 49.168 3.169 -3.769 43 2HD2 LEU 6 HD22 LEU 6 49.004 4.684 -2.881 44 3HD2 LEU 6 HD23 LEU 6 48.266 3.210 -2.254 45 H TYR 7 HN TYR 7 51.353 7.078 -4.461 46 HA TYR 7 HA TYR 7 54.249 7.695 -4.119 47 1HB TYR 7 HB2 TYR 7 53.581 7.497 -6.522 48 2HB TYR 7 HB1 TYR 7 52.461 8.840 -6.276 49 HD1 TYR 7 HD1 TYR 7 53.243 11.105 -6.139 50 HD2 TYR 7 HD2 TYR 7 56.032 7.840 -6.152 51 HE1 TYR 7 HE1 TYR 7 55.120 12.707 -6.403 52 HE2 TYR 7 HE2 TYR 7 57.907 9.437 -6.419 53 HH TYR 7 HH TYR 7 57.323 12.954 -6.519 54 H GLY 8 HN GLY 8 51.257 8.362 -2.863 55 1HA GLY 8 HA2 GLY 8 51.006 10.090 -1.157 56 2HA GLY 8 HA1 GLY 8 52.223 11.049 -1.995 57 H THR 9 HN THR 9 50.214 9.672 -4.232 58 HA THR 9 HA THR 9 48.924 12.215 -4.848 59 HB THR 9 HB THR 9 48.007 11.081 -6.757 60 HG1 THR 9 HG1 THR 9 48.612 8.743 -5.284 61 1HG2 THR 9 HG21 THR 9 49.995 10.784 -7.776 62 2HG2 THR 9 HG22 THR 9 50.389 9.400 -6.757 63 3HG2 THR 9 HG23 THR 9 50.731 11.036 -6.194 64 H THR 10 HN THR 10 46.390 12.125 -5.099 65 HA THR 10 HA THR 10 45.298 11.647 -2.537 66 HB THR 10 HB THR 10 43.110 11.932 -3.575 67 HG1 THR 10 HG1 THR 10 43.826 10.496 -5.395 68 1HG2 THR 10 HG21 THR 10 43.973 13.850 -5.320 69 2HG2 THR 10 HG22 THR 10 45.410 13.621 -4.324 70 3HG2 THR 10 HG23 THR 10 43.878 14.070 -3.573 71 H LEU 11 HN LEU 11 46.075 9.491 -5.085 72 HA LEU 11 HA LEU 11 44.248 7.367 -4.653 73 1HB LEU 11 HB2 LEU 11 47.158 7.238 -5.418 74 2HB LEU 11 HB1 LEU 11 45.969 5.960 -5.681 75 HG LEU 11 HG LEU 11 45.943 8.732 -6.911 76 1HD1 LEU 11 HD11 LEU 11 47.527 7.084 -7.908 77 2HD1 LEU 11 HD12 LEU 11 46.226 7.518 -9.018 78 3HD1 LEU 11 HD13 LEU 11 46.177 5.977 -8.161 79 1HD2 LEU 11 HD21 LEU 11 43.970 7.584 -8.201 80 2HD2 LEU 11 HD22 LEU 11 43.665 8.256 -6.599 81 3HD2 LEU 11 HD23 LEU 11 43.904 6.520 -6.796 82 H GLU 12 HN GLU 12 47.340 8.073 -3.105 83 HA GLU 12 HA GLU 12 47.482 5.672 -1.577 84 1HB GLU 12 HB2 GLU 12 49.410 7.181 -1.984 85 2HB GLU 12 HB1 GLU 12 48.686 8.359 -0.885 86 1HG GLU 12 HG2 GLU 12 48.695 6.657 0.918 87 2HG GLU 12 HG1 GLU 12 49.480 5.522 -0.174 88 H GLN 13 HN GLN 13 45.795 8.688 -0.966 89 HA GLN 13 HA GLN 13 45.548 8.513 1.825 90 1HB GLN 13 HB2 GLN 13 43.396 9.452 -0.091 91 2HB GLN 13 HB1 GLN 13 43.584 9.925 1.600 92 1HG GLN 13 HG2 GLN 13 45.434 10.535 -0.705 93 2HG GLN 13 HG1 GLN 13 44.562 11.687 0.307 94 1HE2 GLN 13 HE21 GLN 13 47.578 10.596 -0.216 95 2HE2 GLN 13 HE22 GLN 13 48.236 10.684 1.339 96 H GLN 14 HN GLN 14 43.545 6.883 -0.666 97 HA GLN 14 HA GLN 14 41.637 5.829 1.197 98 1HB GLN 14 HB2 GLN 14 42.629 4.688 -1.435 99 2HB GLN 14 HB1 GLN 14 41.212 4.105 -0.557 100 1HG GLN 14 HG2 GLN 14 40.187 6.331 -0.713 101 2HG GLN 14 HG1 GLN 14 41.600 6.933 -1.574 102 1HE2 GLN 14 HE21 GLN 14 39.050 7.025 -2.825 103 2HE2 GLN 14 HE22 GLN 14 39.026 5.915 -4.110 104 H TYR 15 HN TYR 15 44.762 4.699 0.052 105 HA TYR 15 HA TYR 15 44.755 2.183 1.448 106 1HB TYR 15 HB2 TYR 15 46.982 3.913 0.350 107 2HB TYR 15 HB1 TYR 15 47.260 2.333 1.082 108 HD1 TYR 15 HD1 TYR 15 47.388 0.537 -0.357 109 HD2 TYR 15 HD2 TYR 15 44.911 3.874 -1.430 110 HE1 TYR 15 HE1 TYR 15 46.778 -0.609 -2.460 111 HE2 TYR 15 HE2 TYR 15 44.306 2.736 -3.551 112 HH TYR 15 HH TYR 15 44.833 -0.519 -4.104 113 H ASN 16 HN ASN 16 45.597 5.463 2.375 114 HA ASN 16 HA ASN 16 47.293 4.975 4.551 115 1HB ASN 16 HB2 ASN 16 46.597 7.218 3.612 116 2HB ASN 16 HB1 ASN 16 45.118 7.073 4.564 117 1HD2 ASN 16 HD21 ASN 16 46.568 9.202 5.334 118 2HD2 ASN 16 HD22 ASN 16 47.458 8.901 6.749 119 H LYS 17 HN LYS 17 43.709 4.844 4.589 120 HA LYS 17 HA LYS 17 43.603 4.468 7.431 121 1HB LYS 17 HB2 LYS 17 41.363 3.118 6.343 122 2HB LYS 17 HB1 LYS 17 41.421 4.715 7.062 123 1HG LYS 17 HG2 LYS 17 41.521 5.803 5.025 124 2HG LYS 17 HG1 LYS 17 42.285 4.450 4.203 125 1HD LYS 17 HD2 LYS 17 40.301 3.488 3.672 126 2HD LYS 17 HD1 LYS 17 39.604 3.847 5.252 127 1HE LYS 17 HE2 LYS 17 39.964 5.826 2.987 128 2HE LYS 17 HE1 LYS 17 38.438 5.090 3.479 129 1HZ LYS 17 HZ1 LYS 17 38.220 6.704 4.960 130 2HZ LYS 17 HZ2 LYS 17 39.747 7.338 4.568 131 3HZ LYS 17 HZ3 LYS 17 39.602 6.140 5.765 132 HA PRO 18 HA PRO 18 43.590 -0.225 6.735 133 1HB PRO 18 HB2 PRO 18 43.340 -1.324 4.310 134 2HB PRO 18 HB1 PRO 18 41.939 -0.586 5.116 135 1HG PRO 18 HG2 PRO 18 43.697 0.528 2.976 136 2HG PRO 18 HG1 PRO 18 41.930 0.578 3.123 137 1HD PRO 18 HD2 PRO 18 43.597 2.660 3.862 138 2HD PRO 18 HD1 PRO 18 41.969 2.386 4.505 139 H LEU 19 HN LEU 19 45.849 1.764 5.233 140 HA LEU 19 HA LEU 19 47.491 0.137 3.719 141 1HB LEU 19 HB2 LEU 19 48.032 2.512 4.268 142 2HB LEU 19 HB1 LEU 19 48.529 1.997 5.879 143 HG LEU 19 HG LEU 19 50.161 0.414 4.764 144 1HD1 LEU 19 HD11 LEU 19 49.076 1.886 2.371 145 2HD1 LEU 19 HD12 LEU 19 49.360 0.158 2.567 146 3HD1 LEU 19 HD13 LEU 19 50.723 1.258 2.358 147 1HD2 LEU 19 HD21 LEU 19 50.709 2.754 5.645 148 2HD2 LEU 19 HD22 LEU 19 50.599 3.303 3.973 149 3HD2 LEU 19 HD23 LEU 19 51.816 2.113 4.431 150 H SER 20 HN SER 20 47.520 0.222 7.335 151 HA SER 20 HA SER 20 49.477 -1.907 7.470 152 1HB SER 20 HB2 SER 20 48.836 -2.102 9.807 153 2HB SER 20 HB1 SER 20 48.863 -0.389 9.398 154 HG SER 20 HG SER 20 46.877 -1.711 10.421 155 H ASP 21 HN ASP 21 45.985 -1.704 7.260 156 HA ASP 21 HA ASP 21 45.362 -4.468 7.670 157 1HB ASP 21 HB2 ASP 21 43.909 -2.296 6.149 158 2HB ASP 21 HB1 ASP 21 43.223 -3.874 6.499 159 H LEU 22 HN LEU 22 46.163 -2.621 4.741 160 HA LEU 22 HA LEU 22 45.439 -4.577 2.832 161 1HB LEU 22 HB2 LEU 22 47.750 -2.622 2.675 162 2HB LEU 22 HB1 LEU 22 46.981 -3.429 1.309 163 HG LEU 22 HG LEU 22 45.706 -1.442 3.193 164 1HD1 LEU 22 HD11 LEU 22 46.906 -0.230 1.606 165 2HD1 LEU 22 HD12 LEU 22 45.296 -0.328 0.890 166 3HD1 LEU 22 HD13 LEU 22 46.582 -1.398 0.326 167 1HD2 LEU 22 HD21 LEU 22 44.547 -3.305 1.144 168 2HD2 LEU 22 HD22 LEU 22 43.769 -1.758 1.487 169 3HD2 LEU 22 HD23 LEU 22 43.967 -2.949 2.771 170 H LEU 23 HN LEU 23 48.445 -4.212 4.652 171 HA LEU 23 HA LEU 23 49.578 -6.374 5.286 172 1HB LEU 23 HB2 LEU 23 50.205 -7.932 3.531 173 2HB LEU 23 HB1 LEU 23 48.467 -7.702 3.465 174 HG LEU 23 HG LEU 23 49.383 -5.689 1.802 175 1HD1 LEU 23 HD11 LEU 23 51.262 -6.308 0.621 176 2HD1 LEU 23 HD12 LEU 23 50.982 -8.030 0.873 177 3HD1 LEU 23 HD13 LEU 23 51.665 -7.050 2.170 178 1HD2 LEU 23 HD21 LEU 23 49.081 -8.083 0.218 179 2HD2 LEU 23 HD22 LEU 23 47.968 -6.729 0.398 180 3HD2 LEU 23 HD23 LEU 23 47.887 -8.088 1.513 181 H ILE 24 HN ILE 24 51.382 -5.163 5.877 182 HA ILE 24 HA ILE 24 52.997 -4.056 3.606 183 HB ILE 24 HB ILE 24 52.933 -3.113 6.489 184 1HG1 ILE 24 HG12 ILE 24 50.776 -2.617 5.463 185 2HG1 ILE 24 HG11 ILE 24 51.721 -1.126 5.495 186 1HG2 ILE 24 HG21 ILE 24 53.852 -1.220 4.502 187 2HG2 ILE 24 HG22 ILE 24 54.797 -2.707 4.413 188 3HG2 ILE 24 HG23 ILE 24 54.686 -1.822 5.933 189 1HD1 ILE 24 HD11 ILE 24 50.992 -2.863 3.170 190 2HD1 ILE 24 HD12 ILE 24 52.515 -1.973 3.112 191 3HD1 ILE 24 HD13 ILE 24 50.994 -1.104 3.301 192 H ARG 25 HN ARG 25 54.943 -5.062 3.316 193 HA ARG 25 HA ARG 25 56.456 -6.050 5.645 194 1HB ARG 25 HB2 ARG 25 55.535 -7.905 3.446 195 2HB ARG 25 HB1 ARG 25 56.790 -8.298 4.611 196 1HG ARG 25 HG2 ARG 25 55.126 -7.913 6.446 197 2HG ARG 25 HG1 ARG 25 53.881 -7.716 5.204 198 1HD ARG 25 HD2 ARG 25 55.619 -10.160 5.625 199 2HD ARG 25 HD1 ARG 25 53.911 -10.048 5.960 200 HE ARG 25 HE ARG 25 54.448 -9.388 3.206 201 1HH1 ARG 25 HH21 ARG 25 54.158 -11.948 5.500 202 2HH1 ARG 25 HH22 ARG 25 53.688 -13.128 4.322 203 1HH2 ARG 25 HH11 ARG 25 53.837 -10.916 1.656 204 2HH2 ARG 25 HH12 ARG 25 53.506 -12.544 2.147 205 H CYS 26 HN CYS 26 58.536 -7.090 4.910 206 HA CYS 26 HA CYS 26 59.898 -5.442 2.889 207 1HB CYS 26 HB2 CYS 26 60.591 -6.907 5.227 208 2HB CYS 26 HB1 CYS 26 61.397 -7.686 3.897 209 H ILE 27 HN ILE 27 60.645 -6.424 0.893 210 HA ILE 27 HA ILE 27 59.061 -8.726 0.098 211 HB ILE 27 HB ILE 27 59.834 -8.318 -2.055 212 1HG1 ILE 27 HG12 ILE 27 62.227 -6.921 -0.882 213 2HG1 ILE 27 HG11 ILE 27 62.258 -8.535 -1.561 214 1HG2 ILE 27 HG21 ILE 27 58.715 -6.330 -0.843 215 2HG2 ILE 27 HG22 ILE 27 59.516 -6.013 -2.381 216 3HG2 ILE 27 HG23 ILE 27 60.320 -5.603 -0.866 217 1HD1 ILE 27 HD11 ILE 27 62.150 -5.911 -2.913 218 2HD1 ILE 27 HD12 ILE 27 61.110 -7.163 -3.596 219 3HD1 ILE 27 HD13 ILE 27 62.847 -7.435 -3.463 220 H ASN 28 HN ASN 28 62.117 -8.280 1.611 221 HA ASN 28 HA ASN 28 62.663 -11.191 1.173 222 1HB ASN 28 HB2 ASN 28 64.787 -10.885 0.374 223 2HB ASN 28 HB1 ASN 28 64.127 -9.342 -0.150 224 1HD2 ASN 28 HD21 ASN 28 65.283 -7.534 0.553 225 2HD2 ASN 28 HD22 ASN 28 66.343 -7.513 1.878 226 H CYS 29 HN CYS 29 61.769 -9.130 3.371 227 HA CYS 29 HA CYS 29 63.046 -10.573 5.574 228 1HB CYS 29 HB2 CYS 29 63.314 -7.642 5.912 229 2HB CYS 29 HB1 CYS 29 64.415 -8.935 6.396 230 H GLN 30 HN GLN 30 60.600 -10.806 5.107 231 HA GLN 30 HA GLN 30 58.492 -9.257 5.528 232 1HB GLN 30 HB2 GLN 30 58.874 -11.806 7.097 233 2HB GLN 30 HB1 GLN 30 57.340 -11.096 6.588 234 1HG GLN 30 HG2 GLN 30 59.537 -12.121 4.778 235 2HG GLN 30 HG1 GLN 30 57.961 -12.842 5.029 236 1HE2 GLN 30 HE21 GLN 30 59.628 -10.900 2.968 237 2HE2 GLN 30 HE22 GLN 30 58.366 -10.056 2.241 238 H LYS 31 HN LYS 31 61.002 -9.319 7.856 239 HA LYS 31 HA LYS 31 59.706 -9.015 10.298 240 1HB LYS 31 HB2 LYS 31 61.798 -7.078 9.248 241 2HB LYS 31 HB1 LYS 31 61.456 -7.445 10.939 242 1HG LYS 31 HG2 LYS 31 62.205 -9.739 10.649 243 2HG LYS 31 HG1 LYS 31 62.414 -9.488 8.916 244 1HD LYS 31 HD2 LYS 31 64.294 -8.123 9.206 245 2HD LYS 31 HD1 LYS 31 63.867 -7.725 10.871 246 1HE LYS 31 HE2 LYS 31 65.797 -9.451 10.410 247 2HE LYS 31 HE1 LYS 31 64.637 -9.767 11.699 248 1HZ LYS 31 HZ1 LYS 31 64.235 -11.675 10.665 249 2HZ LYS 31 HZ2 LYS 31 65.088 -11.204 9.272 250 3HZ LYS 31 HZ3 LYS 31 63.453 -10.777 9.458 251 HA PRO 32 HA PRO 32 56.461 -6.204 8.971 252 1HB PRO 32 HB2 PRO 32 56.385 -5.602 11.892 253 2HB PRO 32 HB1 PRO 32 55.062 -6.030 10.791 254 1HG PRO 32 HG2 PRO 32 56.081 -7.783 12.528 255 2HG PRO 32 HG1 PRO 32 55.484 -8.271 10.935 256 1HD PRO 32 HD2 PRO 32 58.285 -8.092 11.911 257 2HD PRO 32 HD1 PRO 32 57.592 -9.102 10.623 258 H LEU 33 HN LEU 33 56.222 -4.003 8.638 259 HA LEU 33 HA LEU 33 58.568 -2.336 9.183 260 1HB LEU 33 HB2 LEU 33 55.992 -1.871 7.682 261 2HB LEU 33 HB1 LEU 33 57.142 -0.570 7.986 262 HG LEU 33 HG LEU 33 58.908 -1.937 6.893 263 1HD1 LEU 33 HD11 LEU 33 56.576 -3.715 6.112 264 2HD1 LEU 33 HD12 LEU 33 57.888 -4.176 7.189 265 3HD1 LEU 33 HD13 LEU 33 58.220 -3.866 5.482 266 1HD2 LEU 33 HD21 LEU 33 58.274 -0.528 5.250 267 2HD2 LEU 33 HD22 LEU 33 56.560 -0.779 5.575 268 3HD2 LEU 33 HD23 LEU 33 57.445 -1.925 4.560 269 H SER 34 HN SER 34 58.721 -0.784 10.586 270 HA SER 34 HA SER 34 56.861 -0.695 12.785 271 1HB SER 34 HB2 SER 34 58.401 1.557 13.062 272 2HB SER 34 HB1 SER 34 58.903 -0.026 13.647 273 HG SER 34 HG SER 34 59.392 0.329 10.989 274 HA PRO 35 HA PRO 35 54.211 1.789 10.455 275 1HB PRO 35 HB2 PRO 35 53.569 3.443 12.758 276 2HB PRO 35 HB1 PRO 35 52.561 2.342 11.817 277 1HG PRO 35 HG2 PRO 35 53.538 1.888 14.381 278 2HG PRO 35 HG1 PRO 35 52.769 0.713 13.304 279 1HD PRO 35 HD2 PRO 35 55.563 0.889 14.077 280 2HD PRO 35 HD1 PRO 35 54.742 -0.376 13.138 281 H GLU 36 HN GLU 36 56.853 2.936 12.329 282 HA GLU 36 HA GLU 36 56.757 5.709 11.552 283 1HB GLU 36 HB2 GLU 36 59.094 3.943 12.326 284 2HB GLU 36 HB1 GLU 36 59.196 5.692 12.121 285 1HG GLU 36 HG2 GLU 36 57.364 4.260 14.070 286 2HG GLU 36 HG1 GLU 36 58.864 5.084 14.498 287 H GLU 37 HN GLU 37 58.377 2.829 10.021 288 HA GLU 37 HA GLU 37 59.393 4.512 7.857 289 1HB GLU 37 HB2 GLU 37 59.023 1.503 8.045 290 2HB GLU 37 HB1 GLU 37 59.836 2.331 6.715 291 1HG GLU 37 HG2 GLU 37 61.448 3.302 8.347 292 2HG GLU 37 HG1 GLU 37 60.672 2.373 9.629 293 H LYS 38 HN LYS 38 56.635 2.531 8.556 294 HA LYS 38 HA LYS 38 55.377 2.528 6.015 295 1HB LYS 38 HB2 LYS 38 54.799 1.256 8.246 296 2HB LYS 38 HB1 LYS 38 53.898 2.724 8.623 297 1HG LYS 38 HG2 LYS 38 52.794 2.457 6.351 298 2HG LYS 38 HG1 LYS 38 53.479 0.831 6.343 299 1HD LYS 38 HD2 LYS 38 51.753 1.910 8.588 300 2HD LYS 38 HD1 LYS 38 51.124 0.946 7.252 301 1HE LYS 38 HE2 LYS 38 52.976 0.121 9.468 302 2HE LYS 38 HE1 LYS 38 51.536 -0.695 8.861 303 1HZ LYS 38 HZ1 LYS 38 52.846 -0.986 6.731 304 2HZ LYS 38 HZ2 LYS 38 53.328 -1.931 8.058 305 3HZ LYS 38 HZ3 LYS 38 54.219 -0.550 7.625 306 H GLN 39 HN GLN 39 55.455 4.636 8.787 307 HA GLN 39 HA GLN 39 53.590 6.571 7.919 308 1HB GLN 39 HB2 GLN 39 54.538 6.438 10.241 309 2HB GLN 39 HB1 GLN 39 56.065 7.058 9.604 310 1HG GLN 39 HG2 GLN 39 54.746 8.915 10.489 311 2HG GLN 39 HG1 GLN 39 54.840 9.049 8.727 312 1HE2 GLN 39 HE21 GLN 39 53.009 8.381 7.488 313 2HE2 GLN 39 HE22 GLN 39 51.462 8.257 8.153 314 H ARG 40 HN ARG 40 57.046 6.155 7.301 315 HA ARG 40 HA ARG 40 57.453 8.622 5.952 316 1HB ARG 40 HB2 ARG 40 58.763 5.928 5.486 317 2HB ARG 40 HB1 ARG 40 59.340 7.452 4.814 318 1HG ARG 40 HG2 ARG 40 59.567 8.353 7.122 319 2HG ARG 40 HG1 ARG 40 59.079 6.781 7.760 320 1HD ARG 40 HD2 ARG 40 61.491 6.850 7.781 321 2HD ARG 40 HD1 ARG 40 61.005 5.764 6.479 322 HE ARG 40 HE ARG 40 61.313 8.433 5.458 323 1HH1 ARG 40 HH21 ARG 40 63.039 5.692 6.643 324 2HH1 ARG 40 HH22 ARG 40 64.460 6.016 5.709 325 1HH2 ARG 40 HH11 ARG 40 63.160 8.871 4.232 326 2HH2 ARG 40 HH12 ARG 40 64.529 7.815 4.344 327 H HIS 41 HN HIS 41 56.184 5.477 4.819 328 HA HIS 41 HA HIS 41 56.114 6.249 2.037 329 1HB HIS 41 HB2 HIS 41 54.135 4.346 3.318 330 2HB HIS 41 HB1 HIS 41 54.665 4.395 1.643 331 HD1 HIS 41 HD1 HIS 41 57.728 4.682 2.142 332 HD2 HIS 41 HD2 HIS 41 55.267 1.888 4.011 333 HE1 HIS 41 HE1 HIS 41 59.243 2.821 2.953 334 H LEU 42 HN LEU 42 53.760 6.472 4.654 335 HA LEU 42 HA LEU 42 51.707 7.779 3.120 336 1HB LEU 42 HB2 LEU 42 52.327 8.032 6.071 337 2HB LEU 42 HB1 LEU 42 50.787 8.397 5.302 338 HG LEU 42 HG LEU 42 52.126 5.679 5.452 339 1HD1 LEU 42 HD11 LEU 42 50.023 5.124 6.732 340 2HD1 LEU 42 HD12 LEU 42 49.643 6.847 6.738 341 3HD1 LEU 42 HD13 LEU 42 51.092 6.262 7.555 342 1HD2 LEU 42 HD21 LEU 42 49.634 5.180 4.545 343 2HD2 LEU 42 HD22 LEU 42 51.004 5.434 3.464 344 3HD2 LEU 42 HD23 LEU 42 49.892 6.761 3.808 345 H ASP 43 HN ASP 43 54.546 8.893 4.854 346 HA ASP 43 HA ASP 43 54.051 11.677 4.875 347 1HB ASP 43 HB2 ASP 43 56.664 10.170 4.695 348 2HB ASP 43 HB1 ASP 43 56.539 11.897 5.009 349 H LYS 44 HN LYS 44 55.398 9.546 2.467 350 HA LYS 44 HA LYS 44 54.798 10.254 0.098 351 1HB LYS 44 HB2 LYS 44 54.603 12.656 0.661 352 2HB LYS 44 HB1 LYS 44 56.345 12.727 0.945 353 1HG LYS 44 HG2 LYS 44 55.993 13.525 -1.274 354 2HG LYS 44 HG1 LYS 44 56.577 11.869 -1.465 355 1HD LYS 44 HD2 LYS 44 54.387 11.032 -1.847 356 2HD LYS 44 HD1 LYS 44 53.642 12.539 -1.314 357 1HE LYS 44 HE2 LYS 44 54.894 13.640 -3.278 358 2HE LYS 44 HE1 LYS 44 55.207 12.002 -3.851 359 1HZ LYS 44 HZ1 LYS 44 52.488 12.269 -3.148 360 2HZ LYS 44 HZ2 LYS 44 53.166 11.893 -4.658 361 3HZ LYS 44 HZ3 LYS 44 52.912 13.514 -4.220 362 H LYS 45 HN LYS 45 56.233 8.302 0.591 363 HA LYS 45 HA LYS 45 59.117 8.683 0.471 364 1HB LYS 45 HB2 LYS 45 58.056 6.603 1.373 365 2HB LYS 45 HB1 LYS 45 57.560 6.192 -0.272 366 1HG LYS 45 HG2 LYS 45 59.958 6.297 -0.964 367 2HG LYS 45 HG1 LYS 45 60.398 6.591 0.719 368 1HD LYS 45 HD2 LYS 45 59.280 4.444 1.348 369 2HD LYS 45 HD1 LYS 45 58.999 4.130 -0.365 370 1HE LYS 45 HE2 LYS 45 61.752 4.833 -0.028 371 2HE LYS 45 HE1 LYS 45 61.353 3.588 1.154 372 1HZ LYS 45 HZ1 LYS 45 61.464 2.120 -0.483 373 2HZ LYS 45 HZ2 LYS 45 61.676 3.341 -1.645 374 3HZ LYS 45 HZ3 LYS 45 60.112 2.849 -1.203 375 H GLN 46 HN GLN 46 60.442 8.638 -1.344 376 HA GLN 46 HA GLN 46 59.375 9.555 -3.792 377 1HB GLN 46 HB2 GLN 46 61.970 8.084 -3.253 378 2HB GLN 46 HB1 GLN 46 61.594 8.942 -4.749 379 1HG GLN 46 HG2 GLN 46 61.326 11.038 -3.509 380 2HG GLN 46 HG1 GLN 46 61.642 10.196 -1.990 381 1HE2 GLN 46 HE21 GLN 46 63.340 12.284 -2.642 382 2HE2 GLN 46 HE22 GLN 46 64.860 11.690 -3.111 383 H ARG 47 HN ARG 47 60.066 6.201 -2.717 384 HA ARG 47 HA ARG 47 58.337 5.295 -4.945 385 1HB ARG 47 HB2 ARG 47 61.163 4.281 -4.542 386 2HB ARG 47 HB1 ARG 47 59.993 3.585 -5.654 387 1HG ARG 47 HG2 ARG 47 60.937 6.460 -5.788 388 2HG ARG 47 HG1 ARG 47 61.631 5.155 -6.738 389 1HD ARG 47 HD2 ARG 47 59.376 4.706 -7.712 390 2HD ARG 47 HD1 ARG 47 58.751 6.106 -6.851 391 HE ARG 47 HE ARG 47 60.214 6.214 -9.297 392 1HH1 ARG 47 HH21 ARG 47 59.889 7.696 -6.200 393 2HH1 ARG 47 HH22 ARG 47 60.485 9.234 -6.727 394 1HH2 ARG 47 HH11 ARG 47 60.993 8.218 -10.002 395 2HH2 ARG 47 HH12 ARG 47 61.105 9.531 -8.878 396 H PHE 48 HN PHE 48 56.822 4.486 -3.406 397 HA PHE 48 HA PHE 48 57.821 2.149 -1.804 398 1HB PHE 48 HB2 PHE 48 56.692 4.090 -0.534 399 2HB PHE 48 HB1 PHE 48 55.217 3.672 -1.393 400 HD1 PHE 48 HD1 PHE 48 53.733 2.220 -0.361 401 HD2 PHE 48 HD2 PHE 48 57.896 2.008 0.649 402 HE1 PHE 48 HE1 PHE 48 53.241 0.433 1.291 403 HE2 PHE 48 HE2 PHE 48 57.400 0.223 2.307 404 HZ PHE 48 HZ PHE 48 55.091 -0.572 2.616 405 H HIS 49 HN HIS 49 57.067 0.140 -2.714 406 HA HIS 49 HA HIS 49 54.912 0.484 -4.779 407 1HB HIS 49 HB2 HIS 49 57.342 -1.293 -4.947 408 2HB HIS 49 HB1 HIS 49 56.060 -1.205 -6.148 409 HD1 HIS 49 HD1 HIS 49 55.662 1.395 -7.072 410 HD2 HIS 49 HD2 HIS 49 59.381 0.485 -5.432 411 HE1 HIS 49 HE1 HIS 49 57.260 3.174 -7.897 412 H ASN 50 HN ASN 50 53.550 -1.229 -5.249 413 HA ASN 50 HA ASN 50 53.283 -3.254 -3.069 414 1HB ASN 50 HB2 ASN 50 51.496 -1.544 -3.193 415 2HB ASN 50 HB1 ASN 50 51.147 -2.071 -4.820 416 1HD2 ASN 50 HD21 ASN 50 51.397 -3.397 -1.499 417 2HD2 ASN 50 HD22 ASN 50 50.176 -4.556 -1.707 418 H ILE 51 HN ILE 51 53.178 -5.338 -3.604 419 HA ILE 51 HA ILE 51 52.814 -6.112 -6.472 420 HB ILE 51 HB ILE 51 54.273 -7.655 -4.292 421 1HG1 ILE 51 HG12 ILE 51 55.361 -6.230 -6.726 422 2HG1 ILE 51 HG11 ILE 51 55.461 -5.603 -5.086 423 1HG2 ILE 51 HG21 ILE 51 54.867 -9.196 -6.071 424 2HG2 ILE 51 HG22 ILE 51 54.097 -8.164 -7.277 425 3HG2 ILE 51 HG23 ILE 51 53.114 -9.003 -6.077 426 1HD1 ILE 51 HD11 ILE 51 56.469 -8.366 -5.671 427 2HD1 ILE 51 HD12 ILE 51 56.977 -7.240 -4.413 428 3HD1 ILE 51 HD13 ILE 51 57.471 -6.975 -6.085 429 H ARG 52 HN ARG 52 51.086 -7.624 -6.804 430 HA ARG 52 HA ARG 52 49.058 -7.672 -4.839 431 1HB ARG 52 HB2 ARG 52 48.740 -8.264 -7.262 432 2HB ARG 52 HB1 ARG 52 49.522 -9.814 -6.939 433 1HG ARG 52 HG2 ARG 52 47.795 -10.283 -5.202 434 2HG ARG 52 HG1 ARG 52 46.984 -8.780 -5.640 435 1HD ARG 52 HD2 ARG 52 47.511 -11.097 -7.526 436 2HD ARG 52 HD1 ARG 52 45.956 -10.722 -6.779 437 HE ARG 52 HE ARG 52 46.919 -8.412 -8.174 438 1HH1 ARG 52 HH21 ARG 52 45.667 -11.593 -8.637 439 2HH1 ARG 52 HH22 ARG 52 44.933 -11.225 -10.163 440 1HH2 ARG 52 HH11 ARG 52 45.968 -7.914 -10.160 441 2HH2 ARG 52 HH12 ARG 52 45.105 -9.141 -11.025 442 H GLY 53 HN GLY 53 48.909 -8.728 -2.967 443 1HA GLY 53 HA2 GLY 53 49.026 -10.622 -1.514 444 2HA GLY 53 HA1 GLY 53 50.166 -11.378 -2.627 445 H ARG 54 HN ARG 54 51.826 -8.909 -2.799 446 HA ARG 54 HA ARG 54 52.958 -8.883 -0.033 447 1HB ARG 54 HB2 ARG 54 54.477 -9.217 -2.635 448 2HB ARG 54 HB1 ARG 54 55.227 -8.986 -1.053 449 1HG ARG 54 HG2 ARG 54 54.054 -11.029 -0.234 450 2HG ARG 54 HG1 ARG 54 53.415 -11.281 -1.859 451 1HD ARG 54 HD2 ARG 54 55.801 -11.303 -2.695 452 2HD ARG 54 HD1 ARG 54 56.323 -11.306 -1.011 453 HE ARG 54 HE ARG 54 54.968 -13.538 -2.409 454 1HH1 ARG 54 HH21 ARG 54 56.227 -12.111 0.473 455 2HH1 ARG 54 HH22 ARG 54 56.318 -13.613 1.330 456 1HH2 ARG 54 HH11 ARG 54 55.080 -15.499 -1.302 457 2HH2 ARG 54 HH12 ARG 54 55.670 -15.529 0.327 458 H TRP 55 HN TRP 55 54.026 -6.938 0.567 459 HA TRP 55 HA TRP 55 53.582 -4.632 -1.295 460 1HB TRP 55 HB2 TRP 55 52.808 -4.985 1.416 461 2HB TRP 55 HB1 TRP 55 54.106 -3.795 1.417 462 HD1 TRP 55 HD1 TRP 55 50.470 -4.094 0.787 463 HE1 TRP 55 HE1 TRP 55 49.571 -1.968 -0.356 464 HE3 TRP 55 HE3 TRP 55 54.872 -1.850 -0.466 465 HZ2 TRP 55 HZ2 TRP 55 50.602 0.372 -1.656 466 HZ3 TRP 55 HZ3 TRP 55 54.883 0.321 -1.640 467 HH2 TRP 55 HH2 TRP 55 52.764 1.434 -2.239 468 H THR 56 HN THR 56 55.402 -3.159 -1.600 469 HA THR 56 HA THR 56 57.946 -4.222 -0.421 470 HB THR 56 HB THR 56 59.061 -3.887 -2.471 471 HG1 THR 56 HG1 THR 56 58.413 -1.914 -3.092 472 1HG2 THR 56 HG21 THR 56 56.267 -4.668 -3.316 473 2HG2 THR 56 HG22 THR 56 57.346 -5.758 -2.452 474 3HG2 THR 56 HG23 THR 56 57.785 -5.170 -4.057 475 H GLY 57 HN GLY 57 59.666 -2.646 -0.199 476 1HA GLY 57 HA2 GLY 57 59.948 -0.022 -0.526 477 2HA GLY 57 HA1 GLY 57 58.646 -0.006 0.633 478 H ARG 58 HN ARG 58 59.217 -1.848 2.451 479 HA ARG 58 HA ARG 58 61.335 -0.786 4.010 480 1HB ARG 58 HB2 ARG 58 59.590 -2.321 4.878 481 2HB ARG 58 HB1 ARG 58 60.310 -3.636 3.964 482 1HG ARG 58 HG2 ARG 58 62.416 -3.312 5.157 483 2HG ARG 58 HG1 ARG 58 61.698 -2.013 6.082 484 1HD ARG 58 HD2 ARG 58 59.947 -3.723 6.825 485 2HD ARG 58 HD1 ARG 58 60.981 -4.953 6.145 486 HE ARG 58 HE ARG 58 62.314 -4.709 8.069 487 1HH1 ARG 58 HH21 ARG 58 60.553 -1.851 7.265 488 2HH1 ARG 58 HH22 ARG 58 61.091 -0.960 8.655 489 1HH2 ARG 58 HH11 ARG 58 63.037 -3.558 9.903 490 2HH2 ARG 58 HH12 ARG 58 62.498 -1.932 10.150 491 H CYS 59 HN CYS 59 61.163 -3.424 1.740 492 HA CYS 59 HA CYS 59 63.861 -4.261 2.106 493 1HB CYS 59 HB2 CYS 59 61.624 -5.214 0.831 494 2HB CYS 59 HB1 CYS 59 62.731 -4.855 -0.493 495 H MET 60 HN MET 60 62.380 -1.732 0.253 496 HA MET 60 HA MET 60 64.447 -1.458 -1.708 497 1HB MET 60 HB2 MET 60 62.748 0.666 -0.374 498 2HB MET 60 HB1 MET 60 63.790 0.959 -1.770 499 1HG MET 60 HG2 MET 60 61.501 -1.020 -1.650 500 2HG MET 60 HG1 MET 60 61.504 0.515 -2.503 501 1HE MET 60 HE1 MET 60 63.896 0.233 -5.319 502 2HE MET 60 HE2 MET 60 64.667 0.475 -3.753 503 3HE MET 60 HE3 MET 60 63.113 1.234 -4.088 504 H SER 61 HN SER 61 64.215 -0.405 1.666 505 HA SER 61 HA SER 61 66.694 1.064 1.655 506 1HB SER 61 HB2 SER 61 66.620 0.855 4.072 507 2HB SER 61 HB1 SER 61 64.968 1.113 3.517 508 HG SER 61 HG SER 61 64.741 -1.202 3.569 509 H CYS 62 HN CYS 62 65.756 -2.311 1.918 510 HA CYS 62 HA CYS 62 68.346 -3.337 2.654 511 1HB CYS 62 HB2 CYS 62 66.154 -4.776 1.101 512 2HB CYS 62 HB1 CYS 62 67.505 -5.515 1.944 513 H SER 63 HN SER 63 66.891 -2.251 -0.352 514 HA SER 63 HA SER 63 68.627 -3.608 -2.172 515 1HB SER 63 HB2 SER 63 67.986 -1.924 -3.787 516 2HB SER 63 HB1 SER 63 66.575 -2.292 -2.800 517 HG SER 63 HG SER 63 66.576 -0.206 -2.497 518 H ARG 64 HN ARG 64 69.123 -0.792 -0.137 519 HA ARG 64 HA ARG 64 71.933 -0.701 -1.148 520 1HB ARG 64 HB2 ARG 64 70.600 1.266 -1.943 521 2HB ARG 64 HB1 ARG 64 70.305 1.697 -0.259 522 1HG ARG 64 HG2 ARG 64 72.753 1.834 0.118 523 2HG ARG 64 HG1 ARG 64 73.021 1.467 -1.585 524 1HD ARG 64 HD2 ARG 64 71.682 3.491 -2.186 525 2HD ARG 64 HD1 ARG 64 71.569 3.885 -0.470 526 HE ARG 64 HE ARG 64 73.848 4.399 -2.140 527 1HH1 ARG 64 HH21 ARG 64 72.871 3.290 0.975 528 2HH1 ARG 64 HH22 ARG 64 74.335 3.786 1.758 529 1HH2 ARG 64 HH11 ARG 64 75.767 5.045 -1.139 530 2HH2 ARG 64 HH12 ARG 64 75.975 4.779 0.560 531 H SER 65 HN SER 65 73.498 -0.582 0.453 532 HA SER 65 HA SER 65 72.511 -0.332 3.265 533 1HB SER 65 HB2 SER 65 74.104 -2.051 3.945 534 2HB SER 65 HB1 SER 65 73.074 -2.697 2.671 535 HG SER 65 HG SER 65 74.711 -2.496 1.239 536 H SER 66 HN SER 66 74.097 0.593 4.745 537 HA SER 66 HA SER 66 76.255 2.104 3.322 538 1HB SER 66 HB2 SER 66 74.650 2.985 5.742 539 2HB SER 66 HB1 SER 66 75.927 3.912 4.957 540 HG SER 66 HG SER 66 73.610 4.301 4.347 541 H ARG 67 HN ARG 67 78.260 2.275 4.422 542 HA ARG 67 HA ARG 67 79.993 1.318 5.703 543 1HB ARG 67 HB2 ARG 67 77.842 1.748 7.798 544 2HB ARG 67 HB1 ARG 67 79.543 1.445 8.153 545 1HG ARG 67 HG2 ARG 67 80.145 3.466 6.823 546 2HG ARG 67 HG1 ARG 67 78.428 3.792 6.588 547 1HD ARG 67 HD2 ARG 67 78.177 3.825 9.100 548 2HD ARG 67 HD1 ARG 67 79.934 3.734 9.216 549 HE ARG 67 HE ARG 67 79.495 5.890 7.534 550 1HH1 ARG 67 HH21 ARG 67 78.414 4.888 10.649 551 2HH1 ARG 67 HH22 ARG 67 78.234 6.502 11.253 552 1HH2 ARG 67 HH11 ARG 67 79.265 8.003 8.301 553 2HH2 ARG 67 HH12 ARG 67 78.716 8.266 9.923 Start of MODEL 8 1 H ALA 1 HT1 ALA 1 54.187 -4.996 -7.744 2 HA ALA 1 HA ALA 1 55.739 -3.392 -6.397 3 1HB ALA 1 HB1 ALA 1 57.744 -4.626 -6.318 4 2HB ALA 1 HB2 ALA 1 58.002 -3.567 -7.706 5 3HB ALA 1 HB3 ALA 1 57.531 -5.248 -7.955 6 H MET 2 HN MET 2 56.984 -4.104 -9.588 7 HA MET 2 HA MET 2 56.133 -1.629 -10.692 8 1HB MET 2 HB2 MET 2 57.932 -3.108 -11.650 9 2HB MET 2 HB1 MET 2 56.663 -4.193 -12.222 10 1HG MET 2 HG2 MET 2 55.653 -2.261 -13.464 11 2HG MET 2 HG1 MET 2 57.049 -1.289 -12.998 12 1HE MET 2 HE1 MET 2 59.638 -3.679 -13.479 13 2HE MET 2 HE2 MET 2 59.248 -1.999 -13.112 14 3HE MET 2 HE3 MET 2 59.968 -2.410 -14.667 15 H SER 3 HN SER 3 54.528 -4.775 -10.477 16 HA SER 3 HA SER 3 52.479 -4.394 -12.389 17 1HB SER 3 HB2 SER 3 52.903 -6.446 -10.891 18 2HB SER 3 HB1 SER 3 52.006 -5.572 -9.646 19 HG SER 3 HG SER 3 51.084 -6.928 -11.790 20 H TYR 4 HN TYR 4 52.613 -3.370 -8.955 21 HA TYR 4 HA TYR 4 50.635 -1.275 -9.681 22 1HB TYR 4 HB2 TYR 4 49.404 -3.218 -8.684 23 2HB TYR 4 HB1 TYR 4 50.354 -3.023 -7.216 24 HD1 TYR 4 HD1 TYR 4 49.894 -1.226 -5.663 25 HD2 TYR 4 HD2 TYR 4 47.915 -1.418 -9.462 26 HE1 TYR 4 HE1 TYR 4 48.346 0.558 -4.944 27 HE2 TYR 4 HE2 TYR 4 46.364 0.362 -8.746 28 HH TYR 4 HH TYR 4 45.607 1.542 -6.956 29 H SER 5 HN SER 5 50.979 0.672 -8.475 30 HA SER 5 HA SER 5 53.077 0.553 -6.369 31 1HB SER 5 HB2 SER 5 54.409 2.265 -7.461 32 2HB SER 5 HB1 SER 5 54.212 0.878 -8.514 33 HG SER 5 HG SER 5 53.735 3.286 -9.175 34 H LEU 6 HN LEU 6 53.220 2.475 -5.099 35 HA LEU 6 HA LEU 6 50.777 4.211 -5.219 36 1HB LEU 6 HB2 LEU 6 51.027 2.579 -3.295 37 2HB LEU 6 HB1 LEU 6 52.490 3.428 -2.836 38 HG LEU 6 HG LEU 6 51.120 5.514 -2.615 39 1HD1 LEU 6 HD11 LEU 6 49.107 3.627 -3.633 40 2HD1 LEU 6 HD12 LEU 6 49.054 5.390 -3.577 41 3HD1 LEU 6 HD13 LEU 6 48.587 4.448 -2.161 42 1HD2 LEU 6 HD21 LEU 6 50.919 3.016 -0.996 43 2HD2 LEU 6 HD22 LEU 6 49.806 4.311 -0.563 44 3HD2 LEU 6 HD23 LEU 6 51.548 4.595 -0.536 45 H TYR 7 HN TYR 7 51.429 6.264 -5.948 46 HA TYR 7 HA TYR 7 54.198 6.946 -6.101 47 1HB TYR 7 HB2 TYR 7 52.504 7.812 -7.674 48 2HB TYR 7 HB1 TYR 7 51.879 8.848 -6.387 49 HD1 TYR 7 HD1 TYR 7 53.021 10.856 -5.746 50 HD2 TYR 7 HD2 TYR 7 54.906 8.074 -8.431 51 HE1 TYR 7 HE1 TYR 7 54.800 12.516 -6.215 52 HE2 TYR 7 HE2 TYR 7 56.677 9.740 -8.902 53 HH TYR 7 HH TYR 7 56.426 12.945 -8.219 54 H GLY 8 HN GLY 8 51.711 8.122 -3.746 55 1HA GLY 8 HA2 GLY 8 52.712 8.530 -1.443 56 2HA GLY 8 HA1 GLY 8 54.038 9.326 -2.282 57 H THR 9 HN THR 9 50.543 9.577 -2.888 58 HA THR 9 HA THR 9 50.724 12.504 -2.294 59 HB THR 9 HB THR 9 49.225 12.953 -4.112 60 HG1 THR 9 HG1 THR 9 48.516 11.072 -5.378 61 1HG2 THR 9 HG21 THR 9 50.865 10.873 -5.450 62 2HG2 THR 9 HG22 THR 9 51.737 12.076 -4.497 63 3HG2 THR 9 HG23 THR 9 50.695 12.587 -5.825 64 H THR 10 HN THR 10 48.440 13.424 -1.851 65 HA THR 10 HA THR 10 47.328 12.462 0.461 66 HB THR 10 HB THR 10 45.656 13.527 -1.838 67 HG1 THR 10 HG1 THR 10 47.522 14.682 -0.145 68 1HG2 THR 10 HG21 THR 10 44.524 14.572 0.318 69 2HG2 THR 10 HG22 THR 10 45.259 13.177 1.108 70 3HG2 THR 10 HG23 THR 10 44.114 12.941 -0.212 71 H LEU 11 HN LEU 11 47.016 11.081 -2.714 72 HA LEU 11 HA LEU 11 44.740 9.468 -2.412 73 1HB LEU 11 HB2 LEU 11 47.302 8.761 -3.826 74 2HB LEU 11 HB1 LEU 11 45.726 8.022 -4.105 75 HG LEU 11 HG LEU 11 46.454 10.927 -4.569 76 1HD1 LEU 11 HD11 LEU 11 46.393 8.524 -6.239 77 2HD1 LEU 11 HD12 LEU 11 47.104 10.103 -6.573 78 3HD1 LEU 11 HD13 LEU 11 45.390 9.823 -6.884 79 1HD2 LEU 11 HD21 LEU 11 44.032 10.703 -5.666 80 2HD2 LEU 11 HD22 LEU 11 44.229 11.116 -3.963 81 3HD2 LEU 11 HD23 LEU 11 43.854 9.457 -4.430 82 H GLU 12 HN GLU 12 48.018 8.918 -1.138 83 HA GLU 12 HA GLU 12 47.613 6.189 -0.370 84 1HB GLU 12 HB2 GLU 12 49.358 8.294 0.948 85 2HB GLU 12 HB1 GLU 12 49.395 6.573 1.339 86 1HG GLU 12 HG2 GLU 12 51.071 6.679 -0.260 87 2HG GLU 12 HG1 GLU 12 49.667 6.315 -1.262 88 H GLN 13 HN GLN 13 46.501 9.171 0.901 89 HA GLN 13 HA GLN 13 45.940 8.716 3.570 90 1HB GLN 13 HB2 GLN 13 45.408 10.728 2.163 91 2HB GLN 13 HB1 GLN 13 44.037 9.848 1.502 92 1HG GLN 13 HG2 GLN 13 43.143 9.624 3.838 93 2HG GLN 13 HG1 GLN 13 44.449 10.689 4.378 94 1HE2 GLN 13 HE21 GLN 13 43.915 11.656 1.306 95 2HE2 GLN 13 HE22 GLN 13 42.752 12.863 1.536 96 H GLN 14 HN GLN 14 44.068 7.472 0.752 97 HA GLN 14 HA GLN 14 41.993 6.258 2.319 98 1HB GLN 14 HB2 GLN 14 43.134 5.452 -0.373 99 2HB GLN 14 HB1 GLN 14 41.635 4.820 0.313 100 1HG GLN 14 HG2 GLN 14 40.708 7.087 0.403 101 2HG GLN 14 HG1 GLN 14 42.203 7.738 -0.261 102 1HE2 GLN 14 HE21 GLN 14 39.790 8.140 -1.677 103 2HE2 GLN 14 HE22 GLN 14 39.818 7.212 -3.098 104 H TYR 15 HN TYR 15 45.134 5.141 1.210 105 HA TYR 15 HA TYR 15 44.943 2.438 2.153 106 1HB TYR 15 HB2 TYR 15 47.323 4.238 1.625 107 2HB TYR 15 HB1 TYR 15 47.450 2.517 1.980 108 HD1 TYR 15 HD1 TYR 15 45.821 4.929 -0.384 109 HD2 TYR 15 HD2 TYR 15 47.266 0.941 0.265 110 HE1 TYR 15 HE1 TYR 15 45.450 4.401 -2.780 111 HE2 TYR 15 HE2 TYR 15 46.887 0.401 -2.116 112 HH TYR 15 HH TYR 15 46.788 1.948 -4.352 113 H ASN 16 HN ASN 16 45.850 5.465 3.678 114 HA ASN 16 HA ASN 16 47.341 4.540 5.855 115 1HB ASN 16 HB2 ASN 16 46.858 6.936 5.234 116 2HB ASN 16 HB1 ASN 16 45.301 6.757 6.045 117 1HD2 ASN 16 HD21 ASN 16 46.771 8.631 7.258 118 2HD2 ASN 16 HD22 ASN 16 47.536 8.058 8.661 119 H LYS 17 HN LYS 17 43.746 4.638 5.693 120 HA LYS 17 HA LYS 17 43.502 3.880 8.452 121 1HB LYS 17 HB2 LYS 17 41.208 2.895 7.088 122 2HB LYS 17 HB1 LYS 17 41.357 4.325 8.090 123 1HG LYS 17 HG2 LYS 17 41.748 5.746 6.278 124 2HG LYS 17 HG1 LYS 17 42.271 4.439 5.222 125 1HD LYS 17 HD2 LYS 17 39.991 3.552 5.134 126 2HD LYS 17 HD1 LYS 17 39.446 4.802 6.252 127 1HE LYS 17 HE2 LYS 17 39.087 6.165 4.500 128 2HE LYS 17 HE1 LYS 17 40.815 6.129 4.152 129 1HZ LYS 17 HZ1 LYS 17 38.655 4.797 2.817 130 2HZ LYS 17 HZ2 LYS 17 39.930 3.745 3.213 131 3HZ LYS 17 HZ3 LYS 17 40.226 5.127 2.270 132 HA PRO 18 HA PRO 18 43.178 -0.652 7.150 133 1HB PRO 18 HB2 PRO 18 42.899 -1.426 4.609 134 2HB PRO 18 HB1 PRO 18 41.540 -0.688 5.484 135 1HG PRO 18 HG2 PRO 18 43.387 0.528 3.488 136 2HG PRO 18 HG1 PRO 18 41.635 0.722 3.668 137 1HD PRO 18 HD2 PRO 18 43.532 2.517 4.633 138 2HD PRO 18 HD1 PRO 18 41.861 2.383 5.205 139 H LEU 19 HN LEU 19 45.617 1.321 6.063 140 HA LEU 19 HA LEU 19 47.208 -0.134 4.331 141 1HB LEU 19 HB2 LEU 19 47.887 2.050 5.326 142 2HB LEU 19 HB1 LEU 19 48.251 1.218 6.836 143 HG LEU 19 HG LEU 19 49.786 -0.285 5.479 144 1HD1 LEU 19 HD11 LEU 19 49.120 0.045 3.245 145 2HD1 LEU 19 HD12 LEU 19 50.615 0.975 3.360 146 3HD1 LEU 19 HD13 LEU 19 49.056 1.797 3.430 147 1HD2 LEU 19 HD21 LEU 19 51.436 1.799 5.150 148 2HD2 LEU 19 HD22 LEU 19 51.007 1.192 6.747 149 3HD2 LEU 19 HD23 LEU 19 50.176 2.598 6.092 150 H SER 20 HN SER 20 47.126 -0.656 7.913 151 HA SER 20 HA SER 20 48.935 -2.890 7.786 152 1HB SER 20 HB2 SER 20 46.653 -2.480 9.748 153 2HB SER 20 HB1 SER 20 48.066 -3.504 9.983 154 HG SER 20 HG SER 20 49.120 -1.267 9.424 155 H ASP 21 HN ASP 21 45.459 -2.521 7.509 156 HA ASP 21 HA ASP 21 44.739 -5.268 7.300 157 1HB ASP 21 HB2 ASP 21 43.422 -2.750 6.266 158 2HB ASP 21 HB1 ASP 21 42.660 -4.335 6.220 159 H LEU 22 HN LEU 22 45.698 -2.919 4.784 160 HA LEU 22 HA LEU 22 44.903 -4.446 2.547 161 1HB LEU 22 HB2 LEU 22 47.301 -2.614 2.772 162 2HB LEU 22 HB1 LEU 22 46.556 -3.148 1.267 163 HG LEU 22 HG LEU 22 45.250 -1.466 3.418 164 1HD1 LEU 22 HD11 LEU 22 46.762 -0.171 2.064 165 2HD1 LEU 22 HD12 LEU 22 45.125 0.170 1.501 166 3HD1 LEU 22 HD13 LEU 22 46.163 -0.925 0.585 167 1HD2 LEU 22 HD21 LEU 22 44.186 -2.847 0.964 168 2HD2 LEU 22 HD22 LEU 22 43.446 -1.352 1.535 169 3HD2 LEU 22 HD23 LEU 22 43.482 -2.771 2.580 170 H LEU 23 HN LEU 23 48.033 -4.586 4.282 171 HA LEU 23 HA LEU 23 48.945 -6.990 4.397 172 1HB LEU 23 HB2 LEU 23 49.480 -8.104 2.345 173 2HB LEU 23 HB1 LEU 23 47.786 -7.701 2.275 174 HG LEU 23 HG LEU 23 50.079 -6.700 0.638 175 1HD1 LEU 23 HD11 LEU 23 48.612 -6.985 -1.143 176 2HD1 LEU 23 HD12 LEU 23 47.184 -6.733 -0.138 177 3HD1 LEU 23 HD13 LEU 23 48.090 -8.243 -0.018 178 1HD2 LEU 23 HD21 LEU 23 48.950 -4.608 1.856 179 2HD2 LEU 23 HD22 LEU 23 47.680 -4.908 0.674 180 3HD2 LEU 23 HD23 LEU 23 49.302 -4.587 0.142 181 H ILE 24 HN ILE 24 50.645 -5.639 5.379 182 HA ILE 24 HA ILE 24 52.588 -4.601 3.347 183 HB ILE 24 HB ILE 24 52.244 -3.718 6.215 184 1HG1 ILE 24 HG12 ILE 24 50.322 -2.972 4.994 185 2HG1 ILE 24 HG11 ILE 24 51.425 -1.600 5.086 186 1HG2 ILE 24 HG21 ILE 24 54.364 -3.392 4.324 187 2HG2 ILE 24 HG22 ILE 24 54.232 -2.724 5.951 188 3HG2 ILE 24 HG23 ILE 24 53.594 -1.825 4.576 189 1HD1 ILE 24 HD11 ILE 24 50.796 -3.350 2.726 190 2HD1 ILE 24 HD12 ILE 24 52.337 -2.496 2.807 191 3HD1 ILE 24 HD13 ILE 24 50.824 -1.592 2.825 192 H ARG 25 HN ARG 25 54.496 -5.569 3.219 193 HA ARG 25 HA ARG 25 55.857 -6.531 5.633 194 1HB ARG 25 HB2 ARG 25 55.302 -8.384 3.312 195 2HB ARG 25 HB1 ARG 25 56.524 -8.689 4.537 196 1HG ARG 25 HG2 ARG 25 54.738 -8.563 6.288 197 2HG ARG 25 HG1 ARG 25 53.541 -8.409 4.992 198 1HD ARG 25 HD2 ARG 25 54.519 -10.566 4.023 199 2HD ARG 25 HD1 ARG 25 55.389 -10.737 5.543 200 HE ARG 25 HE ARG 25 52.468 -11.009 5.201 201 1HH1 ARG 25 HH21 ARG 25 55.243 -10.755 7.234 202 2HH1 ARG 25 HH22 ARG 25 54.451 -11.429 8.620 203 1HH2 ARG 25 HH11 ARG 25 51.423 -11.893 6.999 204 2HH2 ARG 25 HH12 ARG 25 52.292 -12.072 8.486 205 H CYS 26 HN CYS 26 58.125 -6.806 5.306 206 HA CYS 26 HA CYS 26 59.340 -5.003 3.336 207 1HB CYS 26 HB2 CYS 26 60.043 -6.540 5.704 208 2HB CYS 26 HB1 CYS 26 61.315 -6.532 4.510 209 H ILE 27 HN ILE 27 60.820 -5.784 1.656 210 HA ILE 27 HA ILE 27 60.085 -8.323 0.515 211 HB ILE 27 HB ILE 27 61.213 -6.379 -0.721 212 1HG1 ILE 27 HG12 ILE 27 62.703 -8.967 -1.063 213 2HG1 ILE 27 HG11 ILE 27 60.975 -8.886 -1.391 214 1HG2 ILE 27 HG21 ILE 27 63.846 -7.552 -0.033 215 2HG2 ILE 27 HG22 ILE 27 63.100 -6.586 1.238 216 3HG2 ILE 27 HG23 ILE 27 63.411 -5.872 -0.343 217 1HD1 ILE 27 HD11 ILE 27 62.152 -8.453 -3.469 218 2HD1 ILE 27 HD12 ILE 27 63.155 -7.229 -2.692 219 3HD1 ILE 27 HD13 ILE 27 61.430 -6.938 -2.925 220 H ASN 28 HN ASN 28 62.378 -7.228 2.877 221 HA ASN 28 HA ASN 28 63.506 -9.979 3.116 222 1HB ASN 28 HB2 ASN 28 65.523 -9.012 3.482 223 2HB ASN 28 HB1 ASN 28 64.789 -7.488 3.006 224 1HD2 ASN 28 HD21 ASN 28 65.483 -5.962 4.529 225 2HD2 ASN 28 HD22 ASN 28 65.452 -6.185 6.209 226 H CYS 29 HN CYS 29 62.772 -7.210 5.257 227 HA CYS 29 HA CYS 29 62.422 -8.917 7.557 228 1HB CYS 29 HB2 CYS 29 61.292 -6.137 7.463 229 2HB CYS 29 HB1 CYS 29 62.118 -6.957 8.788 230 H GLN 30 HN GLN 30 60.866 -10.209 6.095 231 HA GLN 30 HA GLN 30 58.274 -9.556 5.425 232 1HB GLN 30 HB2 GLN 30 59.101 -12.120 6.812 233 2HB GLN 30 HB1 GLN 30 57.684 -11.902 5.782 234 1HG GLN 30 HG2 GLN 30 60.576 -11.641 4.956 235 2HG GLN 30 HG1 GLN 30 59.443 -12.882 4.464 236 1HE2 GLN 30 HE21 GLN 30 60.792 -10.075 3.493 237 2HE2 GLN 30 HE22 GLN 30 59.625 -9.525 2.418 238 H LYS 31 HN LYS 31 59.526 -10.221 8.671 239 HA LYS 31 HA LYS 31 57.074 -10.481 10.035 240 1HB LYS 31 HB2 LYS 31 59.748 -9.331 10.762 241 2HB LYS 31 HB1 LYS 31 58.387 -8.995 11.834 242 1HG LYS 31 HG2 LYS 31 57.937 -11.392 12.063 243 2HG LYS 31 HG1 LYS 31 59.239 -11.762 10.933 244 1HD LYS 31 HD2 LYS 31 60.835 -11.501 12.516 245 2HD LYS 31 HD1 LYS 31 60.092 -10.027 13.139 246 1HE LYS 31 HE2 LYS 31 58.831 -12.710 13.670 247 2HE LYS 31 HE1 LYS 31 60.154 -12.128 14.681 248 1HZ LYS 31 HZ1 LYS 31 57.839 -10.396 14.114 249 2HZ LYS 31 HZ2 LYS 31 58.920 -10.345 15.424 250 3HZ LYS 31 HZ3 LYS 31 57.745 -11.569 15.335 251 HA PRO 32 HA PRO 32 54.791 -6.796 9.277 252 1HB PRO 32 HB2 PRO 32 54.882 -6.326 12.245 253 2HB PRO 32 HB1 PRO 32 53.496 -6.230 11.134 254 1HG PRO 32 HG2 PRO 32 53.788 -8.355 12.639 255 2HG PRO 32 HG1 PRO 32 53.323 -8.539 10.948 256 1HD PRO 32 HD2 PRO 32 55.977 -9.068 12.238 257 2HD PRO 32 HD1 PRO 32 55.179 -9.920 10.893 258 H LEU 33 HN LEU 33 55.213 -4.644 8.895 259 HA LEU 33 HA LEU 33 57.943 -3.704 9.570 260 1HB LEU 33 HB2 LEU 33 56.942 -3.749 7.219 261 2HB LEU 33 HB1 LEU 33 55.912 -2.427 7.748 262 HG LEU 33 HG LEU 33 58.228 -1.435 8.595 263 1HD1 LEU 33 HD11 LEU 33 59.013 -3.658 6.884 264 2HD1 LEU 33 HD12 LEU 33 60.003 -2.639 7.923 265 3HD1 LEU 33 HD13 LEU 33 59.633 -2.125 6.281 266 1HD2 LEU 33 HD21 LEU 33 57.055 -1.335 5.821 267 2HD2 LEU 33 HD22 LEU 33 58.404 -0.312 6.299 268 3HD2 LEU 33 HD23 LEU 33 56.858 -0.178 7.126 269 H SER 34 HN SER 34 58.323 -2.084 10.942 270 HA SER 34 HA SER 34 56.290 -0.995 12.565 271 1HB SER 34 HB2 SER 34 58.701 -0.961 13.217 272 2HB SER 34 HB1 SER 34 59.024 0.163 11.901 273 HG SER 34 HG SER 34 57.120 1.315 13.092 274 HA PRO 35 HA PRO 35 54.569 1.491 9.401 275 1HB PRO 35 HB2 PRO 35 53.433 3.415 11.092 276 2HB PRO 35 HB1 PRO 35 52.682 1.930 10.489 277 1HG PRO 35 HG2 PRO 35 53.781 2.507 13.131 278 2HG PRO 35 HG1 PRO 35 52.591 1.305 12.630 279 1HD PRO 35 HD2 PRO 35 55.211 0.739 13.308 280 2HD PRO 35 HD1 PRO 35 54.152 -0.317 12.348 281 H GLU 36 HN GLU 36 56.972 2.474 11.557 282 HA GLU 36 HA GLU 36 57.170 5.259 10.937 283 1HB GLU 36 HB2 GLU 36 58.418 4.123 12.765 284 2HB GLU 36 HB1 GLU 36 59.445 3.359 11.551 285 1HG GLU 36 HG2 GLU 36 60.084 5.621 10.717 286 2HG GLU 36 HG1 GLU 36 59.138 6.339 12.022 287 H GLU 37 HN GLU 37 58.632 2.445 9.244 288 HA GLU 37 HA GLU 37 60.000 4.207 7.356 289 1HB GLU 37 HB2 GLU 37 59.504 1.224 7.364 290 2HB GLU 37 HB1 GLU 37 60.510 2.055 6.175 291 1HG GLU 37 HG2 GLU 37 61.927 2.923 8.030 292 2HG GLU 37 HG1 GLU 37 60.946 2.009 9.177 293 H LYS 38 HN LYS 38 57.243 1.945 7.028 294 HA LYS 38 HA LYS 38 56.683 2.741 4.337 295 1HB LYS 38 HB2 LYS 38 54.632 1.458 4.566 296 2HB LYS 38 HB1 LYS 38 55.971 0.561 5.279 297 1HG LYS 38 HG2 LYS 38 55.336 1.480 7.496 298 2HG LYS 38 HG1 LYS 38 53.914 2.218 6.758 299 1HD LYS 38 HD2 LYS 38 53.292 -0.105 5.924 300 2HD LYS 38 HD1 LYS 38 54.567 -0.734 6.965 301 1HE LYS 38 HE2 LYS 38 53.405 -0.285 8.894 302 2HE LYS 38 HE1 LYS 38 52.616 1.139 8.216 303 1HZ LYS 38 HZ1 LYS 38 51.656 -1.510 8.381 304 2HZ LYS 38 HZ2 LYS 38 51.742 -1.047 6.749 305 3HZ LYS 38 HZ3 LYS 38 50.844 -0.117 7.851 306 H GLN 39 HN GLN 39 55.550 3.879 7.499 307 HA GLN 39 HA GLN 39 53.437 5.423 6.445 308 1HB GLN 39 HB2 GLN 39 53.732 5.113 8.883 309 2HB GLN 39 HB1 GLN 39 55.153 6.169 8.831 310 1HG GLN 39 HG2 GLN 39 53.181 7.475 9.470 311 2HG GLN 39 HG1 GLN 39 53.714 7.965 7.858 312 1HE2 GLN 39 HE21 GLN 39 52.572 7.008 6.010 313 2HE2 GLN 39 HE22 GLN 39 50.970 6.490 6.164 314 H ARG 40 HN ARG 40 56.893 6.199 6.777 315 HA ARG 40 HA ARG 40 56.652 8.887 5.798 316 1HB ARG 40 HB2 ARG 40 58.947 6.910 5.561 317 2HB ARG 40 HB1 ARG 40 59.060 8.627 5.169 318 1HG ARG 40 HG2 ARG 40 58.361 9.165 7.504 319 2HG ARG 40 HG1 ARG 40 58.389 7.444 7.876 320 1HD ARG 40 HD2 ARG 40 60.742 9.109 6.941 321 2HD ARG 40 HD1 ARG 40 60.506 8.458 8.564 322 HE ARG 40 HE ARG 40 60.542 6.459 6.401 323 1HH1 ARG 40 HH21 ARG 40 62.219 8.220 8.847 324 2HH1 ARG 40 HH22 ARG 40 63.510 7.071 8.974 325 1HH2 ARG 40 HH11 ARG 40 62.218 4.952 6.555 326 2HH2 ARG 40 HH12 ARG 40 63.510 5.223 7.676 327 H HIS 41 HN HIS 41 57.007 5.715 4.224 328 HA HIS 41 HA HIS 41 57.371 6.691 1.566 329 1HB HIS 41 HB2 HIS 41 55.875 4.175 2.400 330 2HB HIS 41 HB1 HIS 41 56.508 4.518 0.798 331 HD1 HIS 41 HD1 HIS 41 59.181 5.880 2.135 332 HD2 HIS 41 HD2 HIS 41 57.766 1.991 2.633 333 HE1 HIS 41 HE1 HIS 41 61.159 4.482 2.873 334 H LEU 42 HN LEU 42 54.450 5.916 3.398 335 HA LEU 42 HA LEU 42 52.560 6.608 1.365 336 1HB LEU 42 HB2 LEU 42 52.259 6.716 4.376 337 2HB LEU 42 HB1 LEU 42 50.941 6.676 3.207 338 HG LEU 42 HG LEU 42 53.018 4.509 3.611 339 1HD1 LEU 42 HD11 LEU 42 50.330 5.036 4.693 340 2HD1 LEU 42 HD12 LEU 42 51.606 3.982 5.305 341 3HD1 LEU 42 HD13 LEU 42 50.535 3.419 4.018 342 1HD2 LEU 42 HD21 LEU 42 51.095 3.385 2.098 343 2HD2 LEU 42 HD22 LEU 42 52.500 4.188 1.398 344 3HD2 LEU 42 HD23 LEU 42 50.966 5.049 1.527 345 H ASP 43 HN ASP 43 54.121 8.540 3.932 346 HA ASP 43 HA ASP 43 52.422 10.792 3.708 347 1HB ASP 43 HB2 ASP 43 55.353 10.630 4.441 348 2HB ASP 43 HB1 ASP 43 54.368 12.082 4.635 349 H LYS 44 HN LYS 44 55.489 10.136 1.972 350 HA LYS 44 HA LYS 44 54.560 11.443 -0.432 351 1HB LYS 44 HB2 LYS 44 56.671 13.016 1.084 352 2HB LYS 44 HB1 LYS 44 56.120 13.341 -0.549 353 1HG LYS 44 HG2 LYS 44 54.408 13.559 1.948 354 2HG LYS 44 HG1 LYS 44 55.134 14.891 1.082 355 1HD LYS 44 HD2 LYS 44 53.896 14.261 -0.974 356 2HD LYS 44 HD1 LYS 44 53.078 12.987 -0.093 357 1HE LYS 44 HE2 LYS 44 51.514 14.627 0.241 358 2HE LYS 44 HE1 LYS 44 52.584 15.055 1.576 359 1HZ LYS 44 HZ1 LYS 44 53.726 16.318 -0.507 360 2HZ LYS 44 HZ2 LYS 44 52.647 17.041 0.587 361 3HZ LYS 44 HZ3 LYS 44 52.081 16.445 -0.900 362 H LYS 45 HN LYS 45 55.451 9.258 -0.969 363 HA LYS 45 HA LYS 45 58.425 9.174 -0.960 364 1HB LYS 45 HB2 LYS 45 57.006 7.136 -0.361 365 2HB LYS 45 HB1 LYS 45 56.561 7.067 -2.056 366 1HG LYS 45 HG2 LYS 45 58.937 6.940 -2.694 367 2HG LYS 45 HG1 LYS 45 59.398 6.996 -0.991 368 1HD LYS 45 HD2 LYS 45 58.092 4.927 -0.594 369 2HD LYS 45 HD1 LYS 45 57.727 4.844 -2.309 370 1HE LYS 45 HE2 LYS 45 60.031 3.861 -0.950 371 2HE LYS 45 HE1 LYS 45 59.691 3.801 -2.678 372 1HZ LYS 45 HZ1 LYS 45 60.444 6.382 -2.246 373 2HZ LYS 45 HZ2 LYS 45 61.423 5.156 -2.892 374 3HZ LYS 45 HZ3 LYS 45 61.479 5.504 -1.231 375 H GLN 46 HN GLN 46 59.626 9.250 -2.947 376 HA GLN 46 HA GLN 46 58.457 10.709 -5.090 377 1HB GLN 46 HB2 GLN 46 60.741 8.692 -5.178 378 2HB GLN 46 HB1 GLN 46 60.369 9.850 -6.455 379 1HG GLN 46 HG2 GLN 46 60.765 11.715 -4.910 380 2HG GLN 46 HG1 GLN 46 61.087 10.577 -3.601 381 1HE2 GLN 46 HE21 GLN 46 63.107 12.385 -4.300 382 2HE2 GLN 46 HE22 GLN 46 64.372 11.561 -5.076 383 H ARG 47 HN ARG 47 58.742 7.293 -4.349 384 HA ARG 47 HA ARG 47 56.291 6.647 -5.597 385 1HB ARG 47 HB2 ARG 47 56.996 5.341 -7.496 386 2HB ARG 47 HB1 ARG 47 57.593 6.987 -7.666 387 1HG ARG 47 HG2 ARG 47 59.773 6.184 -6.658 388 2HG ARG 47 HG1 ARG 47 59.151 4.539 -6.831 389 1HD ARG 47 HD2 ARG 47 58.762 4.999 -9.261 390 2HD ARG 47 HD1 ARG 47 59.546 6.565 -9.049 391 HE ARG 47 HE ARG 47 60.882 4.010 -9.233 392 1HH1 ARG 47 HH21 ARG 47 60.932 7.169 -7.867 393 2HH1 ARG 47 HH22 ARG 47 62.654 7.214 -7.691 394 1HH2 ARG 47 HH11 ARG 47 63.137 4.047 -9.014 395 2HH2 ARG 47 HH12 ARG 47 63.901 5.447 -8.340 396 H PHE 48 HN PHE 48 55.636 4.577 -5.037 397 HA PHE 48 HA PHE 48 57.564 2.983 -3.399 398 1HB PHE 48 HB2 PHE 48 55.603 4.372 -2.303 399 2HB PHE 48 HB1 PHE 48 54.587 3.102 -2.945 400 HD1 PHE 48 HD1 PHE 48 58.025 2.699 -1.436 401 HD2 PHE 48 HD2 PHE 48 53.788 2.091 -1.008 402 HE1 PHE 48 HE1 PHE 48 58.416 1.361 0.604 403 HE2 PHE 48 HE2 PHE 48 54.192 0.742 1.024 404 HZ PHE 48 HZ PHE 48 56.498 0.384 1.834 405 H HIS 49 HN HIS 49 57.254 0.572 -3.649 406 HA HIS 49 HA HIS 49 55.735 0.017 -6.183 407 1HB HIS 49 HB2 HIS 49 58.124 -1.434 -5.008 408 2HB HIS 49 HB1 HIS 49 57.306 -1.872 -6.506 409 HD1 HIS 49 HD1 HIS 49 57.189 0.239 -8.312 410 HD2 HIS 49 HD2 HIS 49 60.173 0.362 -5.404 411 HE1 HIS 49 HE1 HIS 49 58.929 1.882 -9.142 412 H ASN 50 HN ASN 50 54.252 -1.602 -6.264 413 HA ASN 50 HA ASN 50 53.740 -3.074 -3.712 414 1HB ASN 50 HB2 ASN 50 52.035 -1.385 -4.339 415 2HB ASN 50 HB1 ASN 50 51.749 -2.274 -5.812 416 1HD2 ASN 50 HD21 ASN 50 51.768 -2.801 -2.249 417 2HD2 ASN 50 HD22 ASN 50 50.530 -3.961 -2.272 418 H ILE 51 HN ILE 51 53.768 -5.202 -3.778 419 HA ILE 51 HA ILE 51 53.417 -6.648 -6.379 420 HB ILE 51 HB ILE 51 54.797 -7.623 -3.842 421 1HG1 ILE 51 HG12 ILE 51 56.060 -6.946 -6.506 422 2HG1 ILE 51 HG11 ILE 51 56.079 -5.853 -5.119 423 1HG2 ILE 51 HG21 ILE 51 53.601 -9.279 -5.402 424 2HG2 ILE 51 HG22 ILE 51 55.297 -9.604 -5.043 425 3HG2 ILE 51 HG23 ILE 51 54.846 -8.879 -6.586 426 1HD1 ILE 51 HD11 ILE 51 57.195 -7.650 -3.796 427 2HD1 ILE 51 HD12 ILE 51 58.151 -7.144 -5.190 428 3HD1 ILE 51 HD13 ILE 51 57.236 -8.650 -5.248 429 H ARG 52 HN ARG 52 51.640 -8.155 -6.336 430 HA ARG 52 HA ARG 52 49.615 -7.705 -4.427 431 1HB ARG 52 HB2 ARG 52 50.140 -10.212 -6.051 432 2HB ARG 52 HB1 ARG 52 48.639 -9.874 -5.187 433 1HG ARG 52 HG2 ARG 52 48.395 -7.774 -6.517 434 2HG ARG 52 HG1 ARG 52 49.829 -8.226 -7.437 435 1HD ARG 52 HD2 ARG 52 48.665 -10.385 -8.033 436 2HD ARG 52 HD1 ARG 52 47.207 -9.734 -7.284 437 HE ARG 52 HE ARG 52 48.279 -7.905 -9.253 438 1HH1 ARG 52 HH21 ARG 52 46.514 -10.818 -8.747 439 2HH1 ARG 52 HH22 ARG 52 45.600 -10.681 -10.213 440 1HH2 ARG 52 HH11 ARG 52 47.091 -7.700 -11.173 441 2HH2 ARG 52 HH12 ARG 52 45.925 -8.914 -11.586 442 H GLY 53 HN GLY 53 49.109 -8.616 -2.463 443 1HA GLY 53 HA2 GLY 53 49.333 -9.974 -0.554 444 2HA GLY 53 HA1 GLY 53 50.485 -10.967 -1.445 445 H ARG 54 HN ARG 54 52.200 -8.601 -2.115 446 HA ARG 54 HA ARG 54 53.239 -7.995 0.619 447 1HB ARG 54 HB2 ARG 54 54.492 -9.884 -0.401 448 2HB ARG 54 HB1 ARG 54 54.927 -8.834 -1.749 449 1HG ARG 54 HG2 ARG 54 55.998 -7.264 -0.139 450 2HG ARG 54 HG1 ARG 54 55.640 -8.398 1.162 451 1HD ARG 54 HD2 ARG 54 57.334 -9.005 -1.277 452 2HD ARG 54 HD1 ARG 54 57.946 -8.695 0.347 453 HE ARG 54 HE ARG 54 56.255 -10.776 0.804 454 1HH1 ARG 54 HH21 ARG 54 58.644 -10.147 -1.599 455 2HH1 ARG 54 HH22 ARG 54 59.057 -11.815 -1.817 456 1HH2 ARG 54 HH11 ARG 54 56.779 -12.960 0.533 457 2HH2 ARG 54 HH12 ARG 54 58.001 -13.408 -0.610 458 H TRP 55 HN TRP 55 54.275 -5.991 0.866 459 HA TRP 55 HA TRP 55 54.067 -4.159 -1.484 460 1HB TRP 55 HB2 TRP 55 53.252 -3.849 1.265 461 2HB TRP 55 HB1 TRP 55 54.481 -2.663 0.880 462 HD1 TRP 55 HD1 TRP 55 50.896 -3.383 0.342 463 HE1 TRP 55 HE1 TRP 55 49.872 -1.653 -1.269 464 HE3 TRP 55 HE3 TRP 55 55.146 -1.139 -1.252 465 HZ2 TRP 55 HZ2 TRP 55 50.789 0.432 -3.032 466 HZ3 TRP 55 HZ3 TRP 55 55.054 0.729 -2.854 467 HH2 TRP 55 HH2 TRP 55 52.888 1.510 -3.750 468 H THR 56 HN THR 56 55.912 -2.917 -2.022 469 HA THR 56 HA THR 56 58.424 -3.641 -0.612 470 HB THR 56 HB THR 56 59.558 -4.013 -2.702 471 HG1 THR 56 HG1 THR 56 58.830 -2.951 -4.338 472 1HG2 THR 56 HG21 THR 56 58.595 -6.055 -3.230 473 2HG2 THR 56 HG22 THR 56 56.953 -5.416 -3.160 474 3HG2 THR 56 HG23 THR 56 57.840 -5.731 -1.669 475 H GLY 57 HN GLY 57 60.298 -2.355 -1.386 476 1HA GLY 57 HA2 GLY 57 61.285 -0.226 -2.054 477 2HA GLY 57 HA1 GLY 57 59.683 0.533 -1.861 478 H ARG 58 HN ARG 58 59.189 -1.290 0.248 479 HA ARG 58 HA ARG 58 59.687 0.178 2.609 480 1HB ARG 58 HB2 ARG 58 57.848 -1.225 2.290 481 2HB ARG 58 HB1 ARG 58 58.843 -2.614 1.895 482 1HG ARG 58 HG2 ARG 58 59.695 -2.668 4.169 483 2HG ARG 58 HG1 ARG 58 58.735 -1.246 4.558 484 1HD ARG 58 HD2 ARG 58 57.597 -3.865 3.566 485 2HD ARG 58 HD1 ARG 58 57.620 -3.390 5.250 486 HE ARG 58 HE ARG 58 55.863 -1.844 4.788 487 1HH1 ARG 58 HH21 ARG 58 57.199 -3.357 2.013 488 2HH1 ARG 58 HH22 ARG 58 56.054 -2.675 0.912 489 1HH2 ARG 58 HH11 ARG 58 54.352 -0.920 3.406 490 2HH2 ARG 58 HH12 ARG 58 54.408 -1.280 1.716 491 H CYS 59 HN CYS 59 61.238 -2.766 1.373 492 HA CYS 59 HA CYS 59 62.953 -2.805 3.720 493 1HB CYS 59 HB2 CYS 59 62.080 -4.803 2.237 494 2HB CYS 59 HB1 CYS 59 63.543 -4.456 1.332 495 H MET 60 HN MET 60 63.072 -1.582 0.459 496 HA MET 60 HA MET 60 65.872 -1.302 0.152 497 1HB MET 60 HB2 MET 60 64.124 -0.717 -1.583 498 2HB MET 60 HB1 MET 60 63.782 0.749 -0.662 499 1HG MET 60 HG2 MET 60 66.206 1.371 -0.875 500 2HG MET 60 HG1 MET 60 66.420 -0.015 -1.943 501 1HE MET 60 HE1 MET 60 65.193 -0.505 -3.906 502 2HE MET 60 HE2 MET 60 64.423 0.632 -5.011 503 3HE MET 60 HE3 MET 60 63.528 0.022 -3.620 504 H SER 61 HN SER 61 63.500 0.593 1.989 505 HA SER 61 HA SER 61 65.305 2.687 2.775 506 1HB SER 61 HB2 SER 61 63.690 3.179 4.516 507 2HB SER 61 HB1 SER 61 62.798 2.736 3.065 508 HG SER 61 HG SER 61 62.042 1.662 4.961 509 H CYS 62 HN CYS 62 64.696 -0.586 3.927 510 HA CYS 62 HA CYS 62 66.135 -0.403 6.403 511 1HB CYS 62 HB2 CYS 62 65.781 -2.816 4.579 512 2HB CYS 62 HB1 CYS 62 66.351 -2.861 6.231 513 H SER 63 HN SER 63 67.071 -0.666 3.080 514 HA SER 63 HA SER 63 69.716 -1.682 3.391 515 1HB SER 63 HB2 SER 63 70.165 -0.777 1.197 516 2HB SER 63 HB1 SER 63 68.510 -1.379 1.206 517 HG SER 63 HG SER 63 68.261 1.037 2.013 518 H ARG 64 HN ARG 64 68.403 1.512 4.016 519 HA ARG 64 HA ARG 64 70.788 3.038 3.910 520 1HB ARG 64 HB2 ARG 64 68.448 3.281 5.827 521 2HB ARG 64 HB1 ARG 64 69.696 4.508 5.612 522 1HG ARG 64 HG2 ARG 64 69.098 4.621 3.184 523 2HG ARG 64 HG1 ARG 64 67.770 3.504 3.499 524 1HD ARG 64 HD2 ARG 64 68.140 6.239 4.755 525 2HD ARG 64 HD1 ARG 64 66.937 5.806 3.541 526 HE ARG 64 HE ARG 64 66.348 4.040 5.524 527 1HH1 ARG 64 HH21 ARG 64 67.053 7.415 5.503 528 2HH1 ARG 64 HH22 ARG 64 66.056 7.768 6.875 529 1HH2 ARG 64 HH11 ARG 64 65.039 4.482 7.314 530 2HH2 ARG 64 HH12 ARG 64 64.915 6.108 7.898 531 H SER 65 HN SER 65 69.561 0.857 6.411 532 HA SER 65 HA SER 65 72.228 1.065 7.737 533 1HB SER 65 HB2 SER 65 71.171 0.976 9.926 534 2HB SER 65 HB1 SER 65 70.486 2.326 9.026 535 HG SER 65 HG SER 65 69.357 -0.113 9.770 536 H SER 66 HN SER 66 72.818 -0.904 8.927 537 HA SER 66 HA SER 66 72.268 -3.306 7.515 538 1HB SER 66 HB2 SER 66 73.157 -3.054 10.404 539 2HB SER 66 HB1 SER 66 73.380 -4.454 9.360 540 HG SER 66 HG SER 66 75.244 -3.120 9.453 541 H ARG 67 HN ARG 67 70.721 -1.863 10.341 542 HA ARG 67 HA ARG 67 68.336 -3.466 9.908 543 1HB ARG 67 HB2 ARG 67 69.754 -5.076 11.157 544 2HB ARG 67 HB1 ARG 67 69.940 -3.893 12.451 545 1HG ARG 67 HG2 ARG 67 68.194 -5.347 13.171 546 2HG ARG 67 HG1 ARG 67 67.386 -3.884 12.614 547 1HD ARG 67 HD2 ARG 67 66.955 -4.979 10.422 548 2HD ARG 67 HD1 ARG 67 67.721 -6.447 11.024 549 HE ARG 67 HE ARG 67 65.747 -5.882 12.895 550 1HH1 ARG 67 HH21 ARG 67 65.945 -6.325 9.481 551 2HH1 ARG 67 HH22 ARG 67 64.341 -6.963 9.338 552 1HH2 ARG 67 HH11 ARG 67 63.653 -6.709 12.728 553 2HH2 ARG 67 HH12 ARG 67 63.045 -7.182 11.176 Start of MODEL 9 1 H ALA 1 HT1 ALA 1 55.418 -6.367 -8.617 2 HA ALA 1 HA ALA 1 55.681 -4.602 -6.964 3 1HB ALA 1 HB1 ALA 1 57.715 -3.048 -8.089 4 2HB ALA 1 HB2 ALA 1 58.374 -4.682 -8.088 5 3HB ALA 1 HB3 ALA 1 57.819 -3.957 -6.580 6 H MET 2 HN MET 2 56.513 -4.631 -10.376 7 HA MET 2 HA MET 2 55.411 -2.138 -11.139 8 1HB MET 2 HB2 MET 2 55.678 -4.719 -12.701 9 2HB MET 2 HB1 MET 2 55.265 -3.162 -13.418 10 1HG MET 2 HG2 MET 2 57.394 -2.229 -12.469 11 2HG MET 2 HG1 MET 2 57.818 -3.856 -11.938 12 1HE MET 2 HE1 MET 2 57.512 -5.781 -13.295 13 2HE MET 2 HE2 MET 2 58.300 -5.958 -14.861 14 3HE MET 2 HE3 MET 2 56.579 -5.591 -14.784 15 H SER 3 HN SER 3 53.783 -5.247 -10.572 16 HA SER 3 HA SER 3 51.436 -4.799 -12.025 17 1HB SER 3 HB2 SER 3 51.606 -5.978 -9.238 18 2HB SER 3 HB1 SER 3 50.293 -6.225 -10.390 19 HG SER 3 HG SER 3 53.027 -6.910 -10.794 20 H TYR 4 HN TYR 4 52.121 -3.566 -8.672 21 HA TYR 4 HA TYR 4 50.268 -1.388 -9.371 22 1HB TYR 4 HB2 TYR 4 48.792 -3.128 -8.416 23 2HB TYR 4 HB1 TYR 4 49.711 -3.077 -6.920 24 HD1 TYR 4 HD1 TYR 4 47.563 -1.158 -9.207 25 HD2 TYR 4 HD2 TYR 4 49.464 -1.225 -5.363 26 HE1 TYR 4 HE1 TYR 4 46.219 0.800 -8.513 27 HE2 TYR 4 HE2 TYR 4 48.122 0.736 -4.662 28 HH TYR 4 HH TYR 4 46.640 2.269 -5.289 29 H SER 5 HN SER 5 50.773 0.546 -8.307 30 HA SER 5 HA SER 5 52.868 0.369 -6.177 31 1HB SER 5 HB2 SER 5 52.854 2.298 -8.475 32 2HB SER 5 HB1 SER 5 54.064 2.226 -7.211 33 HG SER 5 HG SER 5 53.522 0.395 -9.288 34 H LEU 6 HN LEU 6 52.868 2.124 -4.683 35 HA LEU 6 HA LEU 6 50.393 3.821 -4.750 36 1HB LEU 6 HB2 LEU 6 50.718 2.161 -2.873 37 2HB LEU 6 HB1 LEU 6 52.163 3.043 -2.427 38 HG LEU 6 HG LEU 6 50.796 5.064 -2.057 39 1HD1 LEU 6 HD11 LEU 6 48.246 4.325 -1.751 40 2HD1 LEU 6 HD12 LEU 6 48.681 3.153 -2.995 41 3HD1 LEU 6 HD13 LEU 6 48.839 4.880 -3.316 42 1HD2 LEU 6 HD21 LEU 6 50.695 2.521 -0.582 43 2HD2 LEU 6 HD22 LEU 6 49.349 3.588 -0.195 44 3HD2 LEU 6 HD23 LEU 6 51.010 4.148 0.019 45 H TYR 7 HN TYR 7 50.904 5.968 -5.308 46 HA TYR 7 HA TYR 7 53.610 6.862 -5.548 47 1HB TYR 7 HB2 TYR 7 51.717 7.879 -6.818 48 2HB TYR 7 HB1 TYR 7 51.196 8.659 -5.317 49 HD1 TYR 7 HD1 TYR 7 53.598 8.714 -8.045 50 HD2 TYR 7 HD2 TYR 7 52.799 10.171 -4.088 51 HE1 TYR 7 HE1 TYR 7 55.364 10.434 -8.322 52 HE2 TYR 7 HE2 TYR 7 54.540 11.914 -4.376 53 HH TYR 7 HH TYR 7 56.220 12.339 -7.464 54 H GLY 8 HN GLY 8 51.172 7.491 -3.001 55 1HA GLY 8 HA2 GLY 8 51.915 7.800 -0.695 56 2HA GLY 8 HA1 GLY 8 53.433 8.445 -1.302 57 H THR 9 HN THR 9 50.832 9.603 -3.119 58 HA THR 9 HA THR 9 51.123 12.314 -2.049 59 HB THR 9 HB THR 9 49.554 12.999 -3.766 60 HG1 THR 9 HG1 THR 9 48.493 11.435 -5.012 61 1HG2 THR 9 HG21 THR 9 51.966 12.116 -4.347 62 2HG2 THR 9 HG22 THR 9 50.837 12.561 -5.625 63 3HG2 THR 9 HG23 THR 9 51.058 10.865 -5.204 64 H THR 10 HN THR 10 48.935 13.556 -1.739 65 HA THR 10 HA THR 10 47.674 12.794 0.626 66 HB THR 10 HB THR 10 46.330 14.196 -1.715 67 HG1 THR 10 HG1 THR 10 48.419 14.893 -0.153 68 1HG2 THR 10 HG21 THR 10 45.820 14.930 1.118 69 2HG2 THR 10 HG22 THR 10 45.134 13.406 0.553 70 3HG2 THR 10 HG23 THR 10 44.719 14.915 -0.257 71 H LEU 11 HN LEU 11 47.019 11.833 -2.682 72 HA LEU 11 HA LEU 11 44.594 10.438 -2.349 73 1HB LEU 11 HB2 LEU 11 45.718 10.880 -4.512 74 2HB LEU 11 HB1 LEU 11 46.932 9.674 -4.092 75 HG LEU 11 HG LEU 11 45.013 8.020 -3.803 76 1HD1 LEU 11 HD11 LEU 11 43.006 9.116 -3.695 77 2HD1 LEU 11 HD12 LEU 11 43.069 8.946 -5.449 78 3HD1 LEU 11 HD13 LEU 11 43.569 10.458 -4.691 79 1HD2 LEU 11 HD21 LEU 11 44.848 7.589 -6.212 80 2HD2 LEU 11 HD22 LEU 11 46.491 8.084 -5.806 81 3HD2 LEU 11 HD23 LEU 11 45.387 9.233 -6.561 82 H GLU 12 HN GLU 12 47.898 9.511 -1.585 83 HA GLU 12 HA GLU 12 47.595 6.754 -1.124 84 1HB GLU 12 HB2 GLU 12 49.754 8.032 -0.908 85 2HB GLU 12 HB1 GLU 12 49.181 8.621 0.660 86 1HG GLU 12 HG2 GLU 12 48.829 6.251 1.364 87 2HG GLU 12 HG1 GLU 12 49.543 5.743 -0.155 88 H GLN 13 HN GLN 13 46.459 9.463 0.736 89 HA GLN 13 HA GLN 13 46.117 8.388 3.279 90 1HB GLN 13 HB2 GLN 13 44.260 10.165 1.676 91 2HB GLN 13 HB1 GLN 13 44.168 9.942 3.426 92 1HG GLN 13 HG2 GLN 13 46.398 10.825 3.721 93 2HG GLN 13 HG1 GLN 13 46.653 10.903 1.982 94 1HE2 GLN 13 HE21 GLN 13 47.048 13.302 2.789 95 2HE2 GLN 13 HE22 GLN 13 45.691 14.311 2.679 96 H GLN 14 HN GLN 14 44.148 7.781 0.356 97 HA GLN 14 HA GLN 14 42.023 6.395 1.661 98 1HB GLN 14 HB2 GLN 14 42.120 6.989 -0.802 99 2HB GLN 14 HB1 GLN 14 43.262 5.663 -1.014 100 1HG GLN 14 HG2 GLN 14 41.597 4.070 -0.157 101 2HG GLN 14 HG1 GLN 14 40.455 5.390 0.100 102 1HE2 GLN 14 HE21 GLN 14 39.564 3.417 -1.600 103 2HE2 GLN 14 HE22 GLN 14 39.622 3.934 -3.215 104 H TYR 15 HN TYR 15 45.222 5.327 0.530 105 HA TYR 15 HA TYR 15 44.922 2.596 1.392 106 1HB TYR 15 HB2 TYR 15 47.295 4.278 0.632 107 2HB TYR 15 HB1 TYR 15 47.511 2.663 1.303 108 HD1 TYR 15 HD1 TYR 15 48.006 1.131 -0.357 109 HD2 TYR 15 HD2 TYR 15 45.035 4.145 -1.117 110 HE1 TYR 15 HE1 TYR 15 47.524 0.092 -2.550 111 HE2 TYR 15 HE2 TYR 15 44.558 3.111 -3.321 112 HH TYR 15 HH TYR 15 45.237 1.588 -4.825 113 H ASN 16 HN ASN 16 45.968 5.547 2.983 114 HA ASN 16 HA ASN 16 47.455 4.502 5.108 115 1HB ASN 16 HB2 ASN 16 47.032 6.926 4.603 116 2HB ASN 16 HB1 ASN 16 45.473 6.757 5.411 117 1HD2 ASN 16 HD21 ASN 16 46.386 8.349 7.037 118 2HD2 ASN 16 HD22 ASN 16 47.403 7.768 8.264 119 H LYS 17 HN LYS 17 43.862 4.698 4.959 120 HA LYS 17 HA LYS 17 43.600 3.770 7.677 121 1HB LYS 17 HB2 LYS 17 41.747 4.958 6.742 122 2HB LYS 17 HB1 LYS 17 41.590 3.820 5.417 123 1HG LYS 17 HG2 LYS 17 41.516 2.535 8.053 124 2HG LYS 17 HG1 LYS 17 40.207 3.688 7.804 125 1HD LYS 17 HD2 LYS 17 40.877 1.654 5.687 126 2HD LYS 17 HD1 LYS 17 39.839 1.228 7.044 127 1HE LYS 17 HE2 LYS 17 39.316 3.684 5.370 128 2HE LYS 17 HE1 LYS 17 38.674 2.104 4.920 129 1HZ LYS 17 HZ1 LYS 17 37.866 2.064 7.353 130 2HZ LYS 17 HZ2 LYS 17 37.000 2.977 6.211 131 3HZ LYS 17 HZ3 LYS 17 38.067 3.747 7.286 132 HA PRO 18 HA PRO 18 42.826 -0.598 5.754 133 1HB PRO 18 HB2 PRO 18 43.528 -1.042 3.182 134 2HB PRO 18 HB1 PRO 18 41.943 -0.369 3.625 135 1HG PRO 18 HG2 PRO 18 44.416 1.061 2.760 136 2HG PRO 18 HG1 PRO 18 42.758 1.238 2.148 137 1HD PRO 18 HD2 PRO 18 43.736 2.964 3.954 138 2HD PRO 18 HD1 PRO 18 42.052 2.420 4.023 139 H LEU 19 HN LEU 19 45.760 1.162 5.715 140 HA LEU 19 HA LEU 19 47.552 -0.654 4.583 141 1HB LEU 19 HB2 LEU 19 48.020 0.864 7.160 142 2HB LEU 19 HB1 LEU 19 49.275 0.103 6.180 143 HG LEU 19 HG LEU 19 47.451 2.373 5.361 144 1HD1 LEU 19 HD11 LEU 19 49.464 2.910 6.776 145 2HD1 LEU 19 HD12 LEU 19 49.515 3.640 5.171 146 3HD1 LEU 19 HD13 LEU 19 50.475 2.202 5.514 147 1HD2 LEU 19 HD21 LEU 19 49.253 0.551 3.789 148 2HD2 LEU 19 HD22 LEU 19 49.048 2.227 3.278 149 3HD2 LEU 19 HD23 LEU 19 47.653 1.155 3.366 150 H SER 20 HN SER 20 46.065 -0.897 7.848 151 HA SER 20 HA SER 20 47.478 -3.330 8.486 152 1HB SER 20 HB2 SER 20 44.631 -2.594 9.259 153 2HB SER 20 HB1 SER 20 45.671 -3.756 10.077 154 HG SER 20 HG SER 20 46.161 -0.969 9.786 155 H ASP 21 HN ASP 21 44.530 -2.528 6.739 156 HA ASP 21 HA ASP 21 43.713 -5.192 6.035 157 1HB ASP 21 HB2 ASP 21 43.174 -2.516 4.742 158 2HB ASP 21 HB1 ASP 21 42.392 -4.008 4.258 159 H LEU 22 HN LEU 22 45.845 -2.819 4.523 160 HA LEU 22 HA LEU 22 46.169 -4.344 2.078 161 1HB LEU 22 HB2 LEU 22 47.985 -2.174 3.155 162 2HB LEU 22 HB1 LEU 22 47.916 -2.763 1.499 163 HG LEU 22 HG LEU 22 45.734 -1.280 2.983 164 1HD1 LEU 22 HD11 LEU 22 47.874 -0.268 1.658 165 2HD1 LEU 22 HD12 LEU 22 46.307 0.540 1.745 166 3HD1 LEU 22 HD13 LEU 22 46.720 -0.435 0.335 167 1HD2 LEU 22 HD21 LEU 22 45.725 -2.863 0.430 168 2HD2 LEU 22 HD22 LEU 22 44.694 -1.440 0.579 169 3HD2 LEU 22 HD23 LEU 22 44.499 -2.792 1.696 170 H LEU 23 HN LEU 23 48.252 -5.283 1.425 171 HA LEU 23 HA LEU 23 49.231 -7.030 3.554 172 1HB LEU 23 HB2 LEU 23 50.339 -6.689 0.748 173 2HB LEU 23 HB1 LEU 23 50.521 -8.085 1.792 174 HG LEU 23 HG LEU 23 48.516 -8.975 1.148 175 1HD1 LEU 23 HD11 LEU 23 47.188 -7.111 2.239 176 2HD1 LEU 23 HD12 LEU 23 46.457 -7.781 0.789 177 3HD1 LEU 23 HD13 LEU 23 47.292 -6.234 0.702 178 1HD2 LEU 23 HD21 LEU 23 48.079 -8.578 -1.152 179 2HD2 LEU 23 HD22 LEU 23 49.785 -8.180 -0.936 180 3HD2 LEU 23 HD23 LEU 23 48.584 -6.890 -1.034 181 H ILE 24 HN ILE 24 50.998 -6.408 4.844 182 HA ILE 24 HA ILE 24 52.880 -4.448 3.576 183 HB ILE 24 HB ILE 24 52.202 -4.648 6.522 184 1HG1 ILE 24 HG12 ILE 24 50.263 -3.827 5.273 185 2HG1 ILE 24 HG11 ILE 24 51.011 -2.482 6.124 186 1HG2 ILE 24 HG21 ILE 24 53.342 -2.163 5.511 187 2HG2 ILE 24 HG22 ILE 24 54.405 -3.536 5.203 188 3HG2 ILE 24 HG23 ILE 24 53.885 -3.176 6.849 189 1HD1 ILE 24 HD11 ILE 24 50.878 -1.477 4.077 190 2HD1 ILE 24 HD12 ILE 24 50.840 -3.009 3.212 191 3HD1 ILE 24 HD13 ILE 24 52.375 -2.358 3.785 192 H ARG 25 HN ARG 25 54.792 -5.372 3.185 193 HA ARG 25 HA ARG 25 56.242 -6.727 5.303 194 1HB ARG 25 HB2 ARG 25 55.471 -8.294 2.840 195 2HB ARG 25 HB1 ARG 25 56.781 -8.752 3.914 196 1HG ARG 25 HG2 ARG 25 55.119 -8.784 5.812 197 2HG ARG 25 HG1 ARG 25 53.842 -8.527 4.614 198 1HD ARG 25 HD2 ARG 25 54.782 -10.563 3.376 199 2HD ARG 25 HD1 ARG 25 55.744 -10.869 4.815 200 HE ARG 25 HE ARG 25 53.053 -10.576 5.658 201 1HH1 ARG 25 HH21 ARG 25 55.071 -12.613 3.740 202 2HH1 ARG 25 HH22 ARG 25 54.142 -14.042 4.040 203 1HH2 ARG 25 HH11 ARG 25 51.823 -12.436 6.058 204 2HH2 ARG 25 HH12 ARG 25 52.305 -13.942 5.351 205 H CYS 26 HN CYS 26 58.456 -6.566 4.964 206 HA CYS 26 HA CYS 26 59.408 -4.825 2.810 207 1HB CYS 26 HB2 CYS 26 60.590 -6.383 5.044 208 2HB CYS 26 HB1 CYS 26 61.642 -5.848 3.777 209 H ILE 27 HN ILE 27 60.782 -5.604 1.047 210 HA ILE 27 HA ILE 27 60.267 -8.310 0.207 211 HB ILE 27 HB ILE 27 61.124 -6.399 -1.282 212 1HG1 ILE 27 HG12 ILE 27 62.826 -8.880 -1.426 213 2HG1 ILE 27 HG11 ILE 27 61.089 -8.953 -1.707 214 1HG2 ILE 27 HG21 ILE 27 63.338 -5.733 -1.171 215 2HG2 ILE 27 HG22 ILE 27 63.873 -7.273 -0.497 216 3HG2 ILE 27 HG23 ILE 27 63.064 -6.093 0.533 217 1HD1 ILE 27 HD11 ILE 27 62.347 -8.657 -3.830 218 2HD1 ILE 27 HD12 ILE 27 63.025 -7.155 -3.200 219 3HD1 ILE 27 HD13 ILE 27 61.292 -7.283 -3.502 220 H ASN 28 HN ASN 28 62.513 -6.711 2.304 221 HA ASN 28 HA ASN 28 64.095 -9.198 2.694 222 1HB ASN 28 HB2 ASN 28 65.821 -7.766 2.992 223 2HB ASN 28 HB1 ASN 28 64.734 -6.415 2.746 224 1HD2 ASN 28 HD21 ASN 28 65.539 -5.032 4.403 225 2HD2 ASN 28 HD22 ASN 28 65.504 -5.426 6.050 226 H CYS 29 HN CYS 29 62.752 -6.652 4.823 227 HA CYS 29 HA CYS 29 62.529 -8.572 7.010 228 1HB CYS 29 HB2 CYS 29 61.242 -5.868 7.147 229 2HB CYS 29 HB1 CYS 29 62.106 -6.752 8.402 230 H GLN 30 HN GLN 30 61.080 -9.969 5.786 231 HA GLN 30 HA GLN 30 58.504 -9.412 4.908 232 1HB GLN 30 HB2 GLN 30 59.401 -11.896 6.391 233 2HB GLN 30 HB1 GLN 30 57.983 -11.772 5.343 234 1HG GLN 30 HG2 GLN 30 60.865 -11.386 4.527 235 2HG GLN 30 HG1 GLN 30 59.815 -12.707 4.076 236 1HE2 GLN 30 HE21 GLN 30 61.053 -9.968 2.901 237 2HE2 GLN 30 HE22 GLN 30 59.835 -9.478 1.853 238 H LYS 31 HN LYS 31 59.694 -9.837 8.161 239 HA LYS 31 HA LYS 31 57.224 -10.162 9.512 240 1HB LYS 31 HB2 LYS 31 58.327 -9.390 11.477 241 2HB LYS 31 HB1 LYS 31 59.611 -10.125 10.517 242 1HG LYS 31 HG2 LYS 31 60.074 -7.821 9.563 243 2HG LYS 31 HG1 LYS 31 58.969 -7.178 10.778 244 1HD LYS 31 HD2 LYS 31 60.347 -8.060 12.575 245 2HD LYS 31 HD1 LYS 31 61.400 -8.873 11.417 246 1HE LYS 31 HE2 LYS 31 61.149 -6.060 10.763 247 2HE LYS 31 HE1 LYS 31 61.702 -6.263 12.426 248 1HZ LYS 31 HZ1 LYS 31 63.689 -6.836 11.681 249 2HZ LYS 31 HZ2 LYS 31 63.174 -6.570 10.083 250 3HZ LYS 31 HZ3 LYS 31 63.030 -8.113 10.780 251 HA PRO 32 HA PRO 32 54.885 -6.515 8.731 252 1HB PRO 32 HB2 PRO 32 54.940 -6.064 11.702 253 2HB PRO 32 HB1 PRO 32 53.563 -5.997 10.580 254 1HG PRO 32 HG2 PRO 32 53.911 -8.119 12.096 255 2HG PRO 32 HG1 PRO 32 53.420 -8.302 10.411 256 1HD PRO 32 HD2 PRO 32 56.089 -8.824 11.662 257 2HD PRO 32 HD1 PRO 32 55.292 -9.647 10.299 258 H LEU 33 HN LEU 33 55.260 -4.302 8.451 259 HA LEU 33 HA LEU 33 58.010 -3.409 9.087 260 1HB LEU 33 HB2 LEU 33 56.883 -3.318 6.778 261 2HB LEU 33 HB1 LEU 33 55.918 -2.008 7.431 262 HG LEU 33 HG LEU 33 58.345 -1.139 8.161 263 1HD1 LEU 33 HD11 LEU 33 58.733 -2.888 5.725 264 2HD1 LEU 33 HD12 LEU 33 59.608 -2.969 7.255 265 3HD1 LEU 33 HD13 LEU 33 59.858 -1.605 6.165 266 1HD2 LEU 33 HD21 LEU 33 57.038 -0.832 5.436 267 2HD2 LEU 33 HD22 LEU 33 58.318 0.217 6.048 268 3HD2 LEU 33 HD23 LEU 33 56.758 0.169 6.853 269 H SER 34 HN SER 34 58.473 -1.993 10.593 270 HA SER 34 HA SER 34 56.610 -1.090 12.473 271 1HB SER 34 HB2 SER 34 59.305 -1.085 12.399 272 2HB SER 34 HB1 SER 34 59.022 0.586 11.922 273 HG SER 34 HG SER 34 57.406 -0.068 13.956 274 HA PRO 35 HA PRO 35 54.628 1.825 9.899 275 1HB PRO 35 HB2 PRO 35 53.606 3.447 11.912 276 2HB PRO 35 HB1 PRO 35 52.852 1.999 11.223 277 1HG PRO 35 HG2 PRO 35 54.263 2.330 13.769 278 2HG PRO 35 HG1 PRO 35 53.000 1.188 13.301 279 1HD PRO 35 HD2 PRO 35 55.658 0.528 13.574 280 2HD PRO 35 HD1 PRO 35 54.482 -0.384 12.602 281 H GLU 36 HN GLU 36 57.238 2.536 11.934 282 HA GLU 36 HA GLU 36 57.326 5.405 11.510 283 1HB GLU 36 HB2 GLU 36 59.571 3.414 12.000 284 2HB GLU 36 HB1 GLU 36 59.761 5.167 12.038 285 1HG GLU 36 HG2 GLU 36 57.902 3.565 13.820 286 2HG GLU 36 HG1 GLU 36 59.449 4.255 14.313 287 H GLU 37 HN GLU 37 58.623 2.589 9.800 288 HA GLU 37 HA GLU 37 59.818 4.143 7.664 289 1HB GLU 37 HB2 GLU 37 59.043 1.218 7.850 290 2HB GLU 37 HB1 GLU 37 59.940 1.924 6.503 291 1HG GLU 37 HG2 GLU 37 61.685 2.693 8.099 292 2HG GLU 37 HG1 GLU 37 60.806 1.907 9.409 293 H LYS 38 HN LYS 38 56.688 2.591 8.238 294 HA LYS 38 HA LYS 38 55.620 2.879 5.619 295 1HB LYS 38 HB2 LYS 38 54.170 3.177 8.268 296 2HB LYS 38 HB1 LYS 38 53.396 2.966 6.707 297 1HG LYS 38 HG2 LYS 38 54.509 0.760 6.480 298 2HG LYS 38 HG1 LYS 38 55.183 0.954 8.098 299 1HD LYS 38 HD2 LYS 38 52.800 1.293 8.933 300 2HD LYS 38 HD1 LYS 38 52.255 0.814 7.328 301 1HE LYS 38 HE2 LYS 38 54.138 -1.118 8.114 302 2HE LYS 38 HE1 LYS 38 53.110 -0.855 9.515 303 1HZ LYS 38 HZ1 LYS 38 51.723 -2.238 8.478 304 2HZ LYS 38 HZ2 LYS 38 52.480 -2.046 6.969 305 3HZ LYS 38 HZ3 LYS 38 51.336 -0.909 7.499 306 H GLN 39 HN GLN 39 55.911 4.932 8.422 307 HA GLN 39 HA GLN 39 54.399 7.075 7.446 308 1HB GLN 39 HB2 GLN 39 55.116 6.935 9.794 309 2HB GLN 39 HB1 GLN 39 56.781 7.264 9.293 310 1HG GLN 39 HG2 GLN 39 55.662 9.349 10.001 311 2HG GLN 39 HG1 GLN 39 56.044 9.398 8.275 312 1HE2 GLN 39 HE21 GLN 39 54.303 8.919 6.762 313 2HE2 GLN 39 HE22 GLN 39 52.684 9.138 7.196 314 H ARG 40 HN ARG 40 57.872 6.411 6.994 315 HA ARG 40 HA ARG 40 58.404 8.899 5.680 316 1HB ARG 40 HB2 ARG 40 59.716 6.191 5.314 317 2HB ARG 40 HB1 ARG 40 60.361 7.710 4.690 318 1HG ARG 40 HG2 ARG 40 60.395 8.610 7.019 319 2HG ARG 40 HG1 ARG 40 59.868 7.031 7.605 320 1HD ARG 40 HD2 ARG 40 61.898 6.031 6.484 321 2HD ARG 40 HD1 ARG 40 62.450 7.673 6.155 322 HE ARG 40 HE ARG 40 61.931 7.617 8.900 323 1HH1 ARG 40 HH21 ARG 40 63.866 5.911 6.611 324 2HH1 ARG 40 HH22 ARG 40 65.116 5.534 7.750 325 1HH2 ARG 40 HH11 ARG 40 63.553 7.135 10.399 326 2HH2 ARG 40 HH12 ARG 40 64.938 6.227 9.893 327 H HIS 41 HN HIS 41 57.316 5.732 4.377 328 HA HIS 41 HA HIS 41 57.279 6.885 1.679 329 1HB HIS 41 HB2 HIS 41 56.424 4.794 0.874 330 2HB HIS 41 HB1 HIS 41 57.609 4.371 2.097 331 HD1 HIS 41 HD1 HIS 41 53.978 5.450 2.558 332 HD2 HIS 41 HD2 HIS 41 56.449 2.180 3.296 333 HE1 HIS 41 HE1 HIS 41 52.572 3.764 3.819 334 H LEU 42 HN LEU 42 55.072 6.345 4.297 335 HA LEU 42 HA LEU 42 52.656 6.798 2.884 336 1HB LEU 42 HB2 LEU 42 52.848 5.920 5.236 337 2HB LEU 42 HB1 LEU 42 53.254 7.558 5.740 338 HG LEU 42 HG LEU 42 51.073 8.314 4.705 339 1HD1 LEU 42 HD11 LEU 42 51.106 5.566 3.847 340 2HD1 LEU 42 HD12 LEU 42 49.925 6.818 3.460 341 3HD1 LEU 42 HD13 LEU 42 49.707 5.813 4.893 342 1HD2 LEU 42 HD21 LEU 42 50.562 8.244 6.915 343 2HD2 LEU 42 HD22 LEU 42 51.558 6.808 7.161 344 3HD2 LEU 42 HD23 LEU 42 49.885 6.640 6.626 345 H ASP 43 HN ASP 43 54.987 8.997 4.407 346 HA ASP 43 HA ASP 43 53.403 11.338 3.992 347 1HB ASP 43 HB2 ASP 43 56.387 10.999 4.314 348 2HB ASP 43 HB1 ASP 43 55.573 12.564 4.289 349 H LYS 44 HN LYS 44 56.197 10.107 2.076 350 HA LYS 44 HA LYS 44 54.905 10.834 -0.427 351 1HB LYS 44 HB2 LYS 44 57.213 12.640 0.368 352 2HB LYS 44 HB1 LYS 44 56.430 12.598 -1.201 353 1HG LYS 44 HG2 LYS 44 55.084 13.441 1.385 354 2HG LYS 44 HG1 LYS 44 55.714 14.522 0.164 355 1HD LYS 44 HD2 LYS 44 54.218 13.529 -1.533 356 2HD LYS 44 HD1 LYS 44 53.499 12.496 -0.309 357 1HE LYS 44 HE2 LYS 44 52.021 14.201 -0.033 358 2HE LYS 44 HE1 LYS 44 53.325 14.976 0.869 359 1HZ LYS 44 HZ1 LYS 44 52.613 16.503 -0.767 360 2HZ LYS 44 HZ2 LYS 44 52.644 15.329 -1.995 361 3HZ LYS 44 HZ3 LYS 44 54.096 15.888 -1.311 362 H LYS 45 HN LYS 45 55.720 8.607 -0.785 363 HA LYS 45 HA LYS 45 58.683 8.412 -0.922 364 1HB LYS 45 HB2 LYS 45 57.250 6.431 -0.231 365 2HB LYS 45 HB1 LYS 45 56.744 6.324 -1.905 366 1HG LYS 45 HG2 LYS 45 59.116 6.188 -2.603 367 2HG LYS 45 HG1 LYS 45 59.602 6.236 -0.908 368 1HD LYS 45 HD2 LYS 45 58.286 4.198 -0.476 369 2HD LYS 45 HD1 LYS 45 57.865 4.125 -2.184 370 1HE LYS 45 HE2 LYS 45 59.715 2.712 -2.141 371 2HE LYS 45 HE1 LYS 45 60.490 4.253 -2.508 372 1HZ LYS 45 HZ1 LYS 45 61.732 3.768 -0.727 373 2HZ LYS 45 HZ2 LYS 45 60.616 2.647 -0.109 374 3HZ LYS 45 HZ3 LYS 45 60.398 4.309 0.169 375 H GLN 46 HN GLN 46 59.853 8.515 -2.845 376 HA GLN 46 HA GLN 46 58.658 9.751 -5.118 377 1HB GLN 46 HB2 GLN 46 61.149 8.016 -4.938 378 2HB GLN 46 HB1 GLN 46 60.733 9.042 -6.313 379 1HG GLN 46 HG2 GLN 46 60.775 11.025 -4.870 380 2HG GLN 46 HG1 GLN 46 61.146 10.015 -3.474 381 1HE2 GLN 46 HE21 GLN 46 62.976 11.969 -4.026 382 2HE2 GLN 46 HE22 GLN 46 64.382 11.318 -4.719 383 H ARG 47 HN ARG 47 59.245 6.358 -4.262 384 HA ARG 47 HA ARG 47 57.108 5.568 -6.114 385 1HB ARG 47 HB2 ARG 47 59.944 4.579 -6.425 386 2HB ARG 47 HB1 ARG 47 58.545 3.823 -7.190 387 1HG ARG 47 HG2 ARG 47 58.003 6.016 -8.258 388 2HG ARG 47 HG1 ARG 47 59.493 6.674 -7.582 389 1HD ARG 47 HD2 ARG 47 60.760 4.867 -8.772 390 2HD ARG 47 HD1 ARG 47 59.251 4.386 -9.548 391 HE ARG 47 HE ARG 47 59.237 6.486 -10.743 392 1HH1 ARG 47 HH21 ARG 47 61.972 5.982 -8.685 393 2HH1 ARG 47 HH22 ARG 47 62.924 7.215 -9.439 394 1HH2 ARG 47 HH11 ARG 47 60.476 8.094 -11.726 395 2HH2 ARG 47 HH12 ARG 47 62.080 8.407 -11.155 396 H PHE 48 HN PHE 48 55.885 4.195 -4.969 397 HA PHE 48 HA PHE 48 57.233 2.308 -3.073 398 1HB PHE 48 HB2 PHE 48 55.522 4.198 -2.243 399 2HB PHE 48 HB1 PHE 48 54.324 3.053 -2.824 400 HD1 PHE 48 HD1 PHE 48 53.300 2.324 -0.824 401 HD2 PHE 48 HD2 PHE 48 57.591 2.251 -1.090 402 HE1 PHE 48 HE1 PHE 48 53.415 1.102 1.308 403 HE2 PHE 48 HE2 PHE 48 57.690 1.023 1.040 404 HZ PHE 48 HZ PHE 48 55.606 0.457 2.244 405 H HIS 49 HN HIS 49 56.870 0.109 -3.593 406 HA HIS 49 HA HIS 49 55.058 -0.282 -5.941 407 1HB HIS 49 HB2 HIS 49 57.491 -1.858 -5.090 408 2HB HIS 49 HB1 HIS 49 56.480 -2.224 -6.487 409 HD1 HIS 49 HD1 HIS 49 56.225 -0.081 -8.225 410 HD2 HIS 49 HD2 HIS 49 59.535 -0.093 -5.689 411 HE1 HIS 49 HE1 HIS 49 57.900 1.534 -9.225 412 H ASN 50 HN ASN 50 53.546 -1.853 -5.976 413 HA ASN 50 HA ASN 50 53.147 -3.414 -3.466 414 1HB ASN 50 HB2 ASN 50 51.345 -1.809 -3.990 415 2HB ASN 50 HB1 ASN 50 51.119 -2.598 -5.529 416 1HD2 ASN 50 HD21 ASN 50 51.309 -3.547 -2.071 417 2HD2 ASN 50 HD22 ASN 50 50.055 -4.685 -2.157 418 H ILE 51 HN ILE 51 53.291 -5.546 -3.593 419 HA ILE 51 HA ILE 51 52.972 -6.878 -6.249 420 HB ILE 51 HB ILE 51 54.598 -7.839 -3.867 421 1HG1 ILE 51 HG12 ILE 51 55.492 -6.748 -6.543 422 2HG1 ILE 51 HG11 ILE 51 55.589 -5.872 -5.019 423 1HG2 ILE 51 HG21 ILE 51 55.338 -9.159 -6.237 424 2HG2 ILE 51 HG22 ILE 51 53.576 -9.124 -6.263 425 3HG2 ILE 51 HG23 ILE 51 54.423 -9.841 -4.893 426 1HD1 ILE 51 HD11 ILE 51 56.971 -7.803 -4.128 427 2HD1 ILE 51 HD12 ILE 51 57.748 -6.848 -5.392 428 3HD1 ILE 51 HD13 ILE 51 57.037 -8.413 -5.781 429 H ARG 52 HN ARG 52 51.430 -8.594 -6.238 430 HA ARG 52 HA ARG 52 49.374 -8.468 -4.337 431 1HB ARG 52 HB2 ARG 52 50.265 -10.873 -5.961 432 2HB ARG 52 HB1 ARG 52 48.710 -10.734 -5.137 433 1HG ARG 52 HG2 ARG 52 48.227 -8.683 -6.475 434 2HG ARG 52 HG1 ARG 52 49.738 -8.933 -7.351 435 1HD ARG 52 HD2 ARG 52 48.888 -11.230 -7.981 436 2HD ARG 52 HD1 ARG 52 47.329 -10.769 -7.295 437 HE ARG 52 HE ARG 52 48.410 -9.858 -9.842 438 1HH1 ARG 52 HH21 ARG 52 46.382 -9.148 -7.144 439 2HH1 ARG 52 HH22 ARG 52 45.382 -8.038 -8.021 440 1HH2 ARG 52 HH11 ARG 52 47.116 -8.414 -10.998 441 2HH2 ARG 52 HH12 ARG 52 45.797 -7.624 -10.203 442 H GLY 53 HN GLY 53 48.998 -9.466 -2.380 443 1HA GLY 53 HA2 GLY 53 49.430 -10.674 -0.425 444 2HA GLY 53 HA1 GLY 53 50.548 -11.661 -1.360 445 H ARG 54 HN ARG 54 52.217 -9.259 -2.143 446 HA ARG 54 HA ARG 54 53.371 -8.688 0.562 447 1HB ARG 54 HB2 ARG 54 54.853 -9.464 -1.961 448 2HB ARG 54 HB1 ARG 54 55.629 -8.910 -0.478 449 1HG ARG 54 HG2 ARG 54 54.527 -10.785 0.752 450 2HG ARG 54 HG1 ARG 54 53.884 -11.370 -0.783 451 1HD ARG 54 HD2 ARG 54 56.817 -11.057 -0.080 452 2HD ARG 54 HD1 ARG 54 55.940 -12.580 -0.232 453 HE ARG 54 HE ARG 54 55.988 -10.813 -2.609 454 1HH1 ARG 54 HH21 ARG 54 57.108 -13.591 -0.893 455 2HH1 ARG 54 HH22 ARG 54 57.749 -14.364 -2.302 456 1HH2 ARG 54 HH11 ARG 54 56.820 -11.812 -4.455 457 2HH2 ARG 54 HH12 ARG 54 57.587 -13.358 -4.318 458 H TRP 55 HN TRP 55 54.403 -6.672 0.827 459 HA TRP 55 HA TRP 55 53.962 -4.737 -1.406 460 1HB TRP 55 HB2 TRP 55 53.189 -4.592 1.333 461 2HB TRP 55 HB1 TRP 55 54.444 -3.385 1.075 462 HD1 TRP 55 HD1 TRP 55 50.824 -4.119 0.256 463 HE1 TRP 55 HE1 TRP 55 49.876 -2.234 -1.210 464 HE3 TRP 55 HE3 TRP 55 55.122 -1.594 -0.797 465 HZ2 TRP 55 HZ2 TRP 55 50.822 0.025 -2.681 466 HZ3 TRP 55 HZ3 TRP 55 55.062 0.420 -2.215 467 HH2 TRP 55 HH2 TRP 55 52.934 1.238 -3.158 468 H THR 56 HN THR 56 55.732 -3.394 -1.991 469 HA THR 56 HA THR 56 58.298 -3.998 -0.612 470 HB THR 56 HB THR 56 59.437 -4.338 -2.688 471 HG1 THR 56 HG1 THR 56 58.349 -2.789 -3.914 472 1HG2 THR 56 HG21 THR 56 58.457 -6.363 -3.387 473 2HG2 THR 56 HG22 THR 56 56.820 -5.778 -3.086 474 3HG2 THR 56 HG23 THR 56 57.883 -6.168 -1.733 475 H GLY 57 HN GLY 57 60.074 -2.527 -1.332 476 1HA GLY 57 HA2 GLY 57 60.833 -0.363 -2.110 477 2HA GLY 57 HA1 GLY 57 59.165 0.215 -2.042 478 H ARG 58 HN ARG 58 58.755 -1.124 0.551 479 HA ARG 58 HA ARG 58 59.472 1.024 2.313 480 1HB ARG 58 HB2 ARG 58 58.622 -0.441 4.051 481 2HB ARG 58 HB1 ARG 58 57.534 -0.444 2.672 482 1HG ARG 58 HG2 ARG 58 58.909 -2.512 1.889 483 2HG ARG 58 HG1 ARG 58 59.464 -2.587 3.564 484 1HD ARG 58 HD2 ARG 58 57.463 -3.957 3.272 485 2HD ARG 58 HD1 ARG 58 57.106 -2.618 4.325 486 HE ARG 58 HE ARG 58 56.371 -2.618 1.428 487 1HH1 ARG 58 HH21 ARG 58 55.709 -2.030 4.778 488 2HH1 ARG 58 HH22 ARG 58 54.234 -1.189 4.463 489 1HH2 ARG 58 HH11 ARG 58 54.442 -1.516 1.029 490 2HH2 ARG 58 HH12 ARG 58 53.514 -0.906 2.358 491 H CYS 59 HN CYS 59 60.881 -2.152 1.688 492 HA CYS 59 HA CYS 59 62.694 -2.042 3.864 493 1HB CYS 59 HB2 CYS 59 62.177 -3.996 2.159 494 2HB CYS 59 HB1 CYS 59 63.589 -3.329 1.326 495 H MET 60 HN MET 60 62.736 -0.537 0.696 496 HA MET 60 HA MET 60 65.478 0.171 0.581 497 1HB MET 60 HB2 MET 60 63.740 0.656 -1.206 498 2HB MET 60 HB1 MET 60 63.155 1.973 -0.188 499 1HG MET 60 HG2 MET 60 65.481 2.929 -0.204 500 2HG MET 60 HG1 MET 60 65.928 1.689 -1.375 501 1HE MET 60 HE1 MET 60 63.023 1.683 -3.366 502 2HE MET 60 HE2 MET 60 64.684 1.110 -3.248 503 3HE MET 60 HE3 MET 60 64.252 2.283 -4.489 504 H SER 61 HN SER 61 62.744 1.510 2.381 505 HA SER 61 HA SER 61 64.145 3.763 3.480 506 1HB SER 61 HB2 SER 61 62.347 3.863 5.101 507 2HB SER 61 HB1 SER 61 61.645 3.426 3.547 508 HG SER 61 HG SER 61 60.839 2.013 5.047 509 H CYS 62 HN CYS 62 63.997 0.335 4.305 510 HA CYS 62 HA CYS 62 65.123 0.518 6.926 511 1HB CYS 62 HB2 CYS 62 65.345 -1.724 4.871 512 2HB CYS 62 HB1 CYS 62 65.895 -1.832 6.532 513 H SER 63 HN SER 63 66.526 0.671 3.724 514 HA SER 63 HA SER 63 69.186 1.119 5.039 515 1HB SER 63 HB2 SER 63 70.272 0.032 3.147 516 2HB SER 63 HB1 SER 63 69.085 -1.065 3.845 517 HG SER 63 HG SER 63 68.420 0.690 1.736 518 H ARG 64 HN ARG 64 70.602 2.609 3.918 519 HA ARG 64 HA ARG 64 69.172 4.410 2.004 520 1HB ARG 64 HB2 ARG 64 71.109 5.172 4.212 521 2HB ARG 64 HB1 ARG 64 70.485 6.288 2.999 522 1HG ARG 64 HG2 ARG 64 68.163 5.740 3.763 523 2HG ARG 64 HG1 ARG 64 68.860 4.761 5.053 524 1HD ARG 64 HD2 ARG 64 69.285 7.733 4.629 525 2HD ARG 64 HD1 ARG 64 68.341 6.987 5.917 526 HE ARG 64 HE ARG 64 71.270 7.134 5.786 527 1HH1 ARG 64 HH21 ARG 64 68.448 5.643 7.089 528 2HH1 ARG 64 HH22 ARG 64 69.249 5.068 8.514 529 1HH2 ARG 64 HH11 ARG 64 72.331 6.394 7.632 530 2HH2 ARG 64 HH12 ARG 64 71.450 5.493 8.821 531 H SER 65 HN SER 65 70.508 5.301 0.322 532 HA SER 65 HA SER 65 72.544 3.605 -0.689 533 1HB SER 65 HB2 SER 65 71.283 5.332 -2.017 534 2HB SER 65 HB1 SER 65 72.254 6.575 -1.234 535 HG SER 65 HG SER 65 73.134 5.913 -3.245 536 H SER 66 HN SER 66 72.719 6.424 1.428 537 HA SER 66 HA SER 66 75.595 5.763 1.898 538 1HB SER 66 HB2 SER 66 76.118 8.136 2.057 539 2HB SER 66 HB1 SER 66 75.355 7.828 0.500 540 HG SER 66 HG SER 66 73.639 8.399 2.591 541 H ARG 67 HN ARG 67 76.322 6.347 4.087 542 HA ARG 67 HA ARG 67 74.081 6.168 6.026 543 1HB ARG 67 HB2 ARG 67 75.998 4.561 6.182 544 2HB ARG 67 HB1 ARG 67 77.063 5.927 6.522 545 1HG ARG 67 HG2 ARG 67 75.669 6.500 8.495 546 2HG ARG 67 HG1 ARG 67 74.661 5.089 8.174 547 1HD ARG 67 HD2 ARG 67 76.699 3.650 8.379 548 2HD ARG 67 HD1 ARG 67 77.617 5.082 8.844 549 HE ARG 67 HE ARG 67 75.647 3.676 10.512 550 1HH1 ARG 67 HH21 ARG 67 77.485 6.518 9.862 551 2HH1 ARG 67 HH22 ARG 67 77.401 7.106 11.489 552 1HH2 ARG 67 HH11 ARG 67 75.524 4.428 12.640 553 2HH2 ARG 67 HH12 ARG 67 76.290 5.923 13.063 Start of MODEL 10 1 H ALA 1 HT1 ALA 1 54.688 -2.856 -6.419 2 HA ALA 1 HA ALA 1 57.177 -2.626 -7.102 3 1HB ALA 1 HB1 ALA 1 57.611 -4.959 -7.541 4 2HB ALA 1 HB2 ALA 1 57.590 -4.124 -9.090 5 3HB ALA 1 HB3 ALA 1 56.196 -5.079 -8.588 6 H MET 2 HN MET 2 56.841 -3.051 -10.051 7 HA MET 2 HA MET 2 55.648 -0.581 -10.728 8 1HB MET 2 HB2 MET 2 57.274 -1.891 -12.130 9 2HB MET 2 HB1 MET 2 55.955 -2.987 -12.539 10 1HG MET 2 HG2 MET 2 54.663 -1.008 -13.396 11 2HG MET 2 HG1 MET 2 56.101 -0.021 -13.136 12 1HE MET 2 HE1 MET 2 58.725 -1.250 -15.463 13 2HE MET 2 HE2 MET 2 58.508 -2.237 -14.020 14 3HE MET 2 HE3 MET 2 58.290 -0.492 -13.925 15 H SER 3 HN SER 3 54.164 -3.797 -10.449 16 HA SER 3 HA SER 3 51.856 -3.346 -11.993 17 1HB SER 3 HB2 SER 3 51.993 -4.768 -9.317 18 2HB SER 3 HB1 SER 3 50.744 -4.984 -10.543 19 HG SER 3 HG SER 3 52.068 -6.203 -11.649 20 H TYR 4 HN TYR 4 52.381 -2.426 -8.541 21 HA TYR 4 HA TYR 4 50.460 -0.250 -9.007 22 1HB TYR 4 HB2 TYR 4 49.035 -2.163 -8.296 23 2HB TYR 4 HB1 TYR 4 49.934 -2.243 -6.787 24 HD1 TYR 4 HD1 TYR 4 49.621 -0.553 -5.046 25 HD2 TYR 4 HD2 TYR 4 47.690 -0.192 -8.859 26 HE1 TYR 4 HE1 TYR 4 48.191 1.240 -4.142 27 HE2 TYR 4 HE2 TYR 4 46.253 1.611 -7.958 28 HH TYR 4 HH TYR 4 46.897 3.206 -5.073 29 H SER 5 HN SER 5 50.854 1.524 -7.604 30 HA SER 5 HA SER 5 52.656 1.091 -5.315 31 1HB SER 5 HB2 SER 5 54.381 2.589 -6.103 32 2HB SER 5 HB1 SER 5 54.132 1.318 -7.291 33 HG SER 5 HG SER 5 52.724 3.756 -7.431 34 H LEU 6 HN LEU 6 52.962 3.083 -4.025 35 HA LEU 6 HA LEU 6 50.630 4.929 -4.382 36 1HB LEU 6 HB2 LEU 6 52.201 4.312 -1.862 37 2HB LEU 6 HB1 LEU 6 50.777 5.345 -1.975 38 HG LEU 6 HG LEU 6 50.890 2.379 -2.582 39 1HD1 LEU 6 HD11 LEU 6 49.012 3.427 -0.570 40 2HD1 LEU 6 HD12 LEU 6 50.710 3.627 -0.135 41 3HD1 LEU 6 HD13 LEU 6 50.074 2.020 -0.490 42 1HD2 LEU 6 HD21 LEU 6 49.262 3.177 -4.058 43 2HD2 LEU 6 HD22 LEU 6 48.795 4.495 -2.983 44 3HD2 LEU 6 HD23 LEU 6 48.303 2.842 -2.617 45 H TYR 7 HN TYR 7 51.082 7.127 -4.579 46 HA TYR 7 HA TYR 7 53.926 7.909 -4.196 47 1HB TYR 7 HB2 TYR 7 53.383 7.586 -6.622 48 2HB TYR 7 HB1 TYR 7 52.183 8.873 -6.474 49 HD1 TYR 7 HD1 TYR 7 52.836 11.183 -6.359 50 HD2 TYR 7 HD2 TYR 7 55.790 8.072 -6.175 51 HE1 TYR 7 HE1 TYR 7 54.635 12.874 -6.603 52 HE2 TYR 7 HE2 TYR 7 57.588 9.758 -6.419 53 HH TYR 7 HH TYR 7 57.822 12.278 -5.914 54 H GLY 8 HN GLY 8 50.911 8.410 -3.007 55 1HA GLY 8 HA2 GLY 8 50.538 10.224 -1.406 56 2HA GLY 8 HA1 GLY 8 51.639 11.229 -2.351 57 H THR 9 HN THR 9 49.721 9.505 -4.421 58 HA THR 9 HA THR 9 48.186 11.865 -5.186 59 HB THR 9 HB THR 9 47.341 10.503 -6.978 60 HG1 THR 9 HG1 THR 9 47.173 8.678 -5.238 61 1HG2 THR 9 HG21 THR 9 50.193 9.866 -6.236 62 2HG2 THR 9 HG22 THR 9 49.602 11.002 -7.448 63 3HG2 THR 9 HG23 THR 9 49.477 9.267 -7.732 64 H THR 10 HN THR 10 45.665 11.543 -5.339 65 HA THR 10 HA THR 10 44.686 11.159 -2.719 66 HB THR 10 HB THR 10 42.454 11.160 -3.701 67 HG1 THR 10 HG1 THR 10 43.619 9.818 -5.594 68 1HG2 THR 10 HG21 THR 10 44.146 12.893 -5.499 69 2HG2 THR 10 HG22 THR 10 43.962 13.243 -3.779 70 3HG2 THR 10 HG23 THR 10 42.549 13.237 -4.834 71 H LEU 11 HN LEU 11 45.560 8.889 -5.148 72 HA LEU 11 HA LEU 11 43.944 6.664 -4.459 73 1HB LEU 11 HB2 LEU 11 46.804 6.714 -5.397 74 2HB LEU 11 HB1 LEU 11 45.717 5.326 -5.492 75 HG LEU 11 HG LEU 11 45.376 7.989 -6.903 76 1HD1 LEU 11 HD11 LEU 11 45.269 6.040 -8.802 77 2HD1 LEU 11 HD12 LEU 11 46.394 5.311 -7.656 78 3HD1 LEU 11 HD13 LEU 11 46.749 6.889 -8.358 79 1HD2 LEU 11 HD21 LEU 11 43.436 6.576 -7.977 80 2HD2 LEU 11 HD22 LEU 11 43.171 7.372 -6.425 81 3HD2 LEU 11 HD23 LEU 11 43.537 5.647 -6.480 82 H GLU 12 HN GLU 12 47.066 7.694 -3.171 83 HA GLU 12 HA GLU 12 47.430 5.445 -1.446 84 1HB GLU 12 HB2 GLU 12 49.247 6.976 -2.155 85 2HB GLU 12 HB1 GLU 12 48.553 8.235 -1.131 86 1HG GLU 12 HG2 GLU 12 48.805 6.746 0.838 87 2HG GLU 12 HG1 GLU 12 49.565 5.533 -0.190 88 H GLN 13 HN GLN 13 45.699 8.469 -1.002 89 HA GLN 13 HA GLN 13 45.635 8.536 1.805 90 1HB GLN 13 HB2 GLN 13 43.370 9.314 -0.052 91 2HB GLN 13 HB1 GLN 13 43.653 9.925 1.582 92 1HG GLN 13 HG2 GLN 13 45.372 10.337 -0.866 93 2HG GLN 13 HG1 GLN 13 44.556 11.571 0.090 94 1HE2 GLN 13 HE21 GLN 13 47.540 10.432 -0.508 95 2HE2 GLN 13 HE22 GLN 13 48.285 10.652 0.993 96 H GLN 14 HN GLN 14 43.504 6.661 -0.395 97 HA GLN 14 HA GLN 14 41.718 5.780 1.669 98 1HB GLN 14 HB2 GLN 14 42.597 4.384 -0.882 99 2HB GLN 14 HB1 GLN 14 41.242 3.870 0.125 100 1HG GLN 14 HG2 GLN 14 40.140 6.035 -0.220 101 2HG GLN 14 HG1 GLN 14 41.504 6.591 -1.189 102 1HE2 GLN 14 HE21 GLN 14 38.883 6.463 -2.319 103 2HE2 GLN 14 HE22 GLN 14 38.862 5.243 -3.497 104 H TYR 15 HN TYR 15 44.800 4.577 0.480 105 HA TYR 15 HA TYR 15 44.935 2.226 2.140 106 1HB TYR 15 HB2 TYR 15 47.092 3.882 0.800 107 2HB TYR 15 HB1 TYR 15 47.385 2.342 1.598 108 HD1 TYR 15 HD1 TYR 15 47.240 0.368 0.361 109 HD2 TYR 15 HD2 TYR 15 45.182 3.876 -1.022 110 HE1 TYR 15 HE1 TYR 15 46.553 -0.848 -1.685 111 HE2 TYR 15 HE2 TYR 15 44.503 2.665 -3.078 112 HH TYR 15 HH TYR 15 44.280 0.539 -3.969 113 H ASN 16 HN ASN 16 45.678 5.608 2.635 114 HA ASN 16 HA ASN 16 47.557 5.531 4.677 115 1HB ASN 16 HB2 ASN 16 46.552 7.573 3.591 116 2HB ASN 16 HB1 ASN 16 45.185 7.399 4.691 117 1HD2 ASN 16 HD21 ASN 16 45.409 8.618 6.564 118 2HD2 ASN 16 HD22 ASN 16 46.886 9.036 7.289 119 H LYS 17 HN LYS 17 44.018 5.051 5.160 120 HA LYS 17 HA LYS 17 44.415 4.962 8.031 121 1HB LYS 17 HB2 LYS 17 42.044 3.538 7.507 122 2HB LYS 17 HB1 LYS 17 42.204 5.196 8.046 123 1HG LYS 17 HG2 LYS 17 41.890 6.089 5.939 124 2HG LYS 17 HG1 LYS 17 42.519 4.672 5.111 125 1HD LYS 17 HD2 LYS 17 40.363 3.527 6.213 126 2HD LYS 17 HD1 LYS 17 39.776 5.184 6.160 127 1HE LYS 17 HE2 LYS 17 39.171 4.627 4.033 128 2HE LYS 17 HE1 LYS 17 40.864 4.971 3.677 129 1HZ LYS 17 HZ1 LYS 17 39.732 2.674 3.069 130 2HZ LYS 17 HZ2 LYS 17 40.226 2.297 4.652 131 3HZ LYS 17 HZ3 LYS 17 41.370 2.789 3.496 132 HA PRO 18 HA PRO 18 44.360 0.236 7.690 133 1HB PRO 18 HB2 PRO 18 43.658 -1.053 5.460 134 2HB PRO 18 HB1 PRO 18 42.429 -0.244 6.458 135 1HG PRO 18 HG2 PRO 18 43.742 0.699 3.946 136 2HG PRO 18 HG1 PRO 18 42.028 0.739 4.402 137 1HD PRO 18 HD2 PRO 18 43.726 2.898 4.663 138 2HD PRO 18 HD1 PRO 18 42.268 2.641 5.638 139 H LEU 19 HN LEU 19 46.315 2.111 5.723 140 HA LEU 19 HA LEU 19 47.626 0.430 3.974 141 1HB LEU 19 HB2 LEU 19 48.382 2.777 4.412 142 2HB LEU 19 HB1 LEU 19 49.110 2.226 5.917 143 HG LEU 19 HG LEU 19 50.356 0.503 4.450 144 1HD1 LEU 19 HD11 LEU 19 50.723 1.296 2.107 145 2HD1 LEU 19 HD12 LEU 19 49.431 2.468 2.348 146 3HD1 LEU 19 HD13 LEU 19 49.077 0.743 2.407 147 1HD2 LEU 19 HD21 LEU 19 52.122 1.872 4.711 148 2HD2 LEU 19 HD22 LEU 19 50.986 3.102 5.264 149 3HD2 LEU 19 HD23 LEU 19 51.465 3.041 3.567 150 H SER 20 HN SER 20 48.406 0.586 7.508 151 HA SER 20 HA SER 20 50.270 -1.590 7.353 152 1HB SER 20 HB2 SER 20 48.463 -0.884 9.689 153 2HB SER 20 HB1 SER 20 49.963 -1.802 9.766 154 HG SER 20 HG SER 20 49.852 0.661 10.169 155 H ASP 21 HN ASP 21 46.803 -1.385 7.873 156 HA ASP 21 HA ASP 21 46.278 -4.161 8.274 157 1HB ASP 21 HB2 ASP 21 44.554 -1.903 7.237 158 2HB ASP 21 HB1 ASP 21 43.932 -3.503 7.624 159 H LEU 22 HN LEU 22 46.395 -2.192 5.301 160 HA LEU 22 HA LEU 22 45.230 -4.114 3.590 161 1HB LEU 22 HB2 LEU 22 47.300 -2.022 2.903 162 2HB LEU 22 HB1 LEU 22 46.299 -2.889 1.739 163 HG LEU 22 HG LEU 22 45.328 -1.031 3.924 164 1HD1 LEU 22 HD11 LEU 22 45.558 -0.884 0.938 165 2HD1 LEU 22 HD12 LEU 22 46.012 0.317 2.147 166 3HD1 LEU 22 HD13 LEU 22 44.311 0.040 1.775 167 1HD2 LEU 22 HD21 LEU 22 43.623 -2.604 3.862 168 2HD2 LEU 22 HD22 LEU 22 43.941 -3.026 2.179 169 3HD2 LEU 22 HD23 LEU 22 43.114 -1.518 2.570 170 H LEU 23 HN LEU 23 48.733 -3.786 4.389 171 HA LEU 23 HA LEU 23 49.514 -6.436 4.213 172 1HB LEU 23 HB2 LEU 23 48.372 -6.310 1.880 173 2HB LEU 23 HB1 LEU 23 49.728 -5.327 1.411 174 HG LEU 23 HG LEU 23 50.091 -8.039 2.662 175 1HD1 LEU 23 HD11 LEU 23 50.136 -8.953 0.398 176 2HD1 LEU 23 HD12 LEU 23 49.828 -7.349 -0.277 177 3HD1 LEU 23 HD13 LEU 23 48.586 -8.161 0.678 178 1HD2 LEU 23 HD21 LEU 23 52.147 -6.805 2.558 179 2HD2 LEU 23 HD22 LEU 23 51.770 -6.189 0.950 180 3HD2 LEU 23 HD23 LEU 23 52.175 -7.887 1.168 181 H ILE 24 HN ILE 24 51.063 -4.888 5.565 182 HA ILE 24 HA ILE 24 53.194 -3.888 3.698 183 HB ILE 24 HB ILE 24 52.625 -2.905 6.492 184 1HG1 ILE 24 HG12 ILE 24 50.769 -2.260 5.089 185 2HG1 ILE 24 HG11 ILE 24 51.809 -0.850 5.287 186 1HG2 ILE 24 HG21 ILE 24 54.578 -2.245 4.313 187 2HG2 ILE 24 HG22 ILE 24 54.846 -2.408 6.044 188 3HG2 ILE 24 HG23 ILE 24 54.055 -0.967 5.410 189 1HD1 ILE 24 HD11 ILE 24 52.940 -1.815 3.081 190 2HD1 ILE 24 HD12 ILE 24 51.505 -0.796 2.997 191 3HD1 ILE 24 HD13 ILE 24 51.349 -2.546 2.869 192 H ARG 25 HN ARG 25 55.166 -4.861 3.875 193 HA ARG 25 HA ARG 25 56.259 -5.704 6.425 194 1HB ARG 25 HB2 ARG 25 54.559 -7.564 5.675 195 2HB ARG 25 HB1 ARG 25 55.814 -7.973 4.496 196 1HG ARG 25 HG2 ARG 25 57.450 -8.176 6.367 197 2HG ARG 25 HG1 ARG 25 56.148 -7.890 7.512 198 1HD ARG 25 HD2 ARG 25 56.253 -10.163 5.505 199 2HD ARG 25 HD1 ARG 25 56.554 -10.307 7.236 200 HE ARG 25 HE ARG 25 53.960 -10.223 6.005 201 1HH1 ARG 25 HH21 ARG 25 55.813 -9.089 8.682 202 2HH1 ARG 25 HH22 ARG 25 54.447 -8.945 9.737 203 1HH2 ARG 25 HH11 ARG 25 52.165 -10.042 7.369 204 2HH2 ARG 25 HH12 ARG 25 52.381 -9.484 8.993 205 H CYS 26 HN CYS 26 58.511 -6.854 5.917 206 HA CYS 26 HA CYS 26 59.917 -5.351 3.908 207 1HB CYS 26 HB2 CYS 26 60.523 -7.288 5.992 208 2HB CYS 26 HB1 CYS 26 61.363 -7.700 4.510 209 H ILE 27 HN ILE 27 60.423 -6.025 1.801 210 HA ILE 27 HA ILE 27 58.733 -7.912 0.493 211 HB ILE 27 HB ILE 27 60.240 -5.982 -0.501 212 1HG1 ILE 27 HG12 ILE 27 60.147 -8.626 -1.970 213 2HG1 ILE 27 HG11 ILE 27 58.729 -7.596 -1.752 214 1HG2 ILE 27 HG21 ILE 27 62.283 -7.424 0.404 215 2HG2 ILE 27 HG22 ILE 27 62.412 -6.565 -1.134 216 3HG2 ILE 27 HG23 ILE 27 62.058 -8.287 -1.109 217 1HD1 ILE 27 HD11 ILE 27 60.847 -5.912 -2.620 218 2HD1 ILE 27 HD12 ILE 27 59.392 -6.360 -3.516 219 3HD1 ILE 27 HD13 ILE 27 60.853 -7.329 -3.671 220 H ASN 28 HN ASN 28 61.749 -8.251 2.210 221 HA ASN 28 HA ASN 28 61.835 -11.125 1.350 222 1HB ASN 28 HB2 ASN 28 64.010 -10.925 0.709 223 2HB ASN 28 HB1 ASN 28 63.676 -9.202 0.657 224 1HD2 ASN 28 HD21 ASN 28 65.216 -8.020 1.790 225 2HD2 ASN 28 HD22 ASN 28 66.048 -8.561 3.167 226 H CYS 29 HN CYS 29 62.808 -8.839 3.933 227 HA CYS 29 HA CYS 29 63.641 -10.918 5.744 228 1HB CYS 29 HB2 CYS 29 62.552 -8.177 6.443 229 2HB CYS 29 HB1 CYS 29 63.611 -9.181 7.439 230 H GLN 30 HN GLN 30 60.617 -9.396 5.027 231 HA GLN 30 HA GLN 30 58.428 -9.877 5.597 232 1HB GLN 30 HB2 GLN 30 59.489 -12.573 6.427 233 2HB GLN 30 HB1 GLN 30 57.843 -12.172 5.918 234 1HG GLN 30 HG2 GLN 30 60.350 -12.192 4.255 235 2HG GLN 30 HG1 GLN 30 58.860 -13.061 3.998 236 1HE2 GLN 30 HE21 GLN 30 60.547 -10.501 2.838 237 2HE2 GLN 30 HE22 GLN 30 59.274 -9.539 2.265 238 H LYS 31 HN LYS 31 59.924 -8.542 7.549 239 HA LYS 31 HA LYS 31 58.922 -9.773 10.081 240 1HB LYS 31 HB2 LYS 31 61.255 -8.057 9.388 241 2HB LYS 31 HB1 LYS 31 60.445 -7.679 10.908 242 1HG LYS 31 HG2 LYS 31 62.235 -9.319 11.284 243 2HG LYS 31 HG1 LYS 31 60.660 -10.049 11.600 244 1HD LYS 31 HD2 LYS 31 60.701 -11.313 9.629 245 2HD LYS 31 HD1 LYS 31 61.880 -10.250 8.858 246 1HE LYS 31 HE2 LYS 31 62.473 -12.025 11.244 247 2HE LYS 31 HE1 LYS 31 62.869 -12.431 9.574 248 1HZ LYS 31 HZ1 LYS 31 63.836 -10.031 11.032 249 2HZ LYS 31 HZ2 LYS 31 64.242 -10.463 9.440 250 3HZ LYS 31 HZ3 LYS 31 64.747 -11.432 10.741 251 HA PRO 32 HA PRO 32 55.798 -6.682 10.435 252 1HB PRO 32 HB2 PRO 32 56.486 -5.460 12.885 253 2HB PRO 32 HB1 PRO 32 55.422 -6.864 12.691 254 1HG PRO 32 HG2 PRO 32 58.286 -6.753 13.437 255 2HG PRO 32 HG1 PRO 32 57.026 -7.882 13.962 256 1HD PRO 32 HD2 PRO 32 58.918 -8.606 12.177 257 2HD PRO 32 HD1 PRO 32 57.248 -9.212 12.052 258 H LEU 33 HN LEU 33 55.674 -4.531 9.657 259 HA LEU 33 HA LEU 33 58.305 -3.128 9.429 260 1HB LEU 33 HB2 LEU 33 56.726 -3.758 7.417 261 2HB LEU 33 HB1 LEU 33 55.779 -2.382 7.979 262 HG LEU 33 HG LEU 33 57.874 -0.980 7.833 263 1HD1 LEU 33 HD11 LEU 33 59.533 -2.212 6.128 264 2HD1 LEU 33 HD12 LEU 33 58.863 -3.657 6.881 265 3HD1 LEU 33 HD13 LEU 33 59.686 -2.452 7.873 266 1HD2 LEU 33 HD21 LEU 33 56.884 -2.391 5.334 267 2HD2 LEU 33 HD22 LEU 33 57.951 -0.991 5.296 268 3HD2 LEU 33 HD23 LEU 33 56.327 -0.837 5.968 269 H SER 34 HN SER 34 58.687 -1.484 10.680 270 HA SER 34 HA SER 34 56.966 -0.689 12.720 271 1HB SER 34 HB2 SER 34 59.555 0.135 11.688 272 2HB SER 34 HB1 SER 34 58.606 1.534 12.186 273 HG SER 34 HG SER 34 58.313 0.536 14.199 274 HA PRO 35 HA PRO 35 54.149 1.527 10.187 275 1HB PRO 35 HB2 PRO 35 53.012 3.021 12.257 276 2HB PRO 35 HB1 PRO 35 52.469 1.447 11.652 277 1HG PRO 35 HG2 PRO 35 53.943 2.087 14.084 278 2HG PRO 35 HG1 PRO 35 52.941 0.688 13.693 279 1HD PRO 35 HD2 PRO 35 55.711 0.677 13.805 280 2HD PRO 35 HD1 PRO 35 54.712 -0.539 12.975 281 H GLU 36 HN GLU 36 56.617 2.768 12.141 282 HA GLU 36 HA GLU 36 56.289 5.596 11.555 283 1HB GLU 36 HB2 GLU 36 58.798 3.977 12.142 284 2HB GLU 36 HB1 GLU 36 58.725 5.739 12.102 285 1HG GLU 36 HG2 GLU 36 57.021 5.689 13.911 286 2HG GLU 36 HG1 GLU 36 57.172 3.933 13.980 287 H GLU 37 HN GLU 37 57.836 2.859 10.045 288 HA GLU 37 HA GLU 37 59.057 4.232 7.830 289 1HB GLU 37 HB2 GLU 37 58.085 1.385 8.249 290 2HB GLU 37 HB1 GLU 37 59.114 1.901 6.908 291 1HG GLU 37 HG2 GLU 37 60.828 2.670 8.492 292 2HG GLU 37 HG1 GLU 37 59.800 2.205 9.848 293 H LYS 38 HN LYS 38 55.934 2.691 8.440 294 HA LYS 38 HA LYS 38 54.815 2.939 5.822 295 1HB LYS 38 HB2 LYS 38 53.451 3.172 8.528 296 2HB LYS 38 HB1 LYS 38 52.624 2.925 6.992 297 1HG LYS 38 HG2 LYS 38 53.852 0.807 6.685 298 2HG LYS 38 HG1 LYS 38 54.627 1.028 8.249 299 1HD LYS 38 HD2 LYS 38 52.258 1.198 9.230 300 2HD LYS 38 HD1 LYS 38 51.683 0.634 7.664 301 1HE LYS 38 HE2 LYS 38 53.320 -0.815 9.705 302 2HE LYS 38 HE1 LYS 38 51.900 -1.377 8.816 303 1HZ LYS 38 HZ1 LYS 38 54.612 -0.918 7.702 304 2HZ LYS 38 HZ2 LYS 38 53.246 -1.371 6.801 305 3HZ LYS 38 HZ3 LYS 38 53.880 -2.424 7.972 306 H GLN 39 HN GLN 39 55.095 5.147 8.585 307 HA GLN 39 HA GLN 39 53.509 7.252 7.493 308 1HB GLN 39 HB2 GLN 39 55.949 7.470 9.299 309 2HB GLN 39 HB1 GLN 39 54.820 8.786 8.964 310 1HG GLN 39 HG2 GLN 39 54.156 6.144 10.285 311 2HG GLN 39 HG1 GLN 39 54.167 7.734 11.054 312 1HE2 GLN 39 HE21 GLN 39 52.295 5.551 9.162 313 2HE2 GLN 39 HE22 GLN 39 51.016 6.594 8.809 314 H ARG 40 HN ARG 40 56.897 6.358 7.011 315 HA ARG 40 HA ARG 40 57.549 8.643 5.425 316 1HB ARG 40 HB2 ARG 40 59.205 6.906 6.194 317 2HB ARG 40 HB1 ARG 40 58.519 5.795 5.008 318 1HG ARG 40 HG2 ARG 40 59.064 7.413 3.204 319 2HG ARG 40 HG1 ARG 40 59.804 8.474 4.403 320 1HD ARG 40 HD2 ARG 40 61.367 6.619 5.015 321 2HD ARG 40 HD1 ARG 40 60.682 5.657 3.704 322 HE ARG 40 HE ARG 40 61.983 6.921 2.206 323 1HH1 ARG 40 HH21 ARG 40 61.510 8.573 5.197 324 2HH1 ARG 40 HH22 ARG 40 62.529 9.907 4.773 325 1HH2 ARG 40 HH11 ARG 40 63.317 8.659 1.638 326 2HH2 ARG 40 HH12 ARG 40 63.549 9.956 2.761 327 H HIS 41 HN HIS 41 55.961 5.542 4.721 328 HA HIS 41 HA HIS 41 55.717 6.019 1.868 329 1HB HIS 41 HB2 HIS 41 53.874 4.289 3.540 330 2HB HIS 41 HB1 HIS 41 54.302 4.096 1.847 331 HD1 HIS 41 HD1 HIS 41 54.842 1.842 3.955 332 HD2 HIS 41 HD2 HIS 41 57.656 4.675 2.767 333 HE1 HIS 41 HE1 HIS 41 57.115 0.871 4.501 334 H LEU 42 HN LEU 42 53.442 6.374 4.582 335 HA LEU 42 HA LEU 42 51.305 7.534 3.060 336 1HB LEU 42 HB2 LEU 42 51.960 7.872 6.003 337 2HB LEU 42 HB1 LEU 42 50.390 8.153 5.246 338 HG LEU 42 HG LEU 42 51.871 5.514 5.431 339 1HD1 LEU 42 HD11 LEU 42 49.191 5.367 6.347 340 2HD1 LEU 42 HD12 LEU 42 49.906 6.800 7.081 341 3HD1 LEU 42 HD13 LEU 42 50.668 5.221 7.299 342 1HD2 LEU 42 HD21 LEU 42 49.586 4.741 4.383 343 2HD2 LEU 42 HD22 LEU 42 50.867 5.350 3.335 344 3HD2 LEU 42 HD23 LEU 42 49.522 6.399 3.784 345 H ASP 43 HN ASP 43 54.106 8.811 4.653 346 HA ASP 43 HA ASP 43 53.554 11.575 4.548 347 1HB ASP 43 HB2 ASP 43 56.183 10.077 4.506 348 2HB ASP 43 HB1 ASP 43 56.061 11.832 4.631 349 H LYS 44 HN LYS 44 54.724 9.199 2.361 350 HA LYS 44 HA LYS 44 54.228 9.399 -0.010 351 1HB LYS 44 HB2 LYS 44 54.925 12.320 0.401 352 2HB LYS 44 HB1 LYS 44 54.563 11.562 -1.139 353 1HG LYS 44 HG2 LYS 44 52.351 10.862 -0.331 354 2HG LYS 44 HG1 LYS 44 52.632 11.635 1.214 355 1HD LYS 44 HD2 LYS 44 52.990 13.789 0.023 356 2HD LYS 44 HD1 LYS 44 52.569 12.956 -1.455 357 1HE LYS 44 HE2 LYS 44 50.445 13.632 -0.976 358 2HE LYS 44 HE1 LYS 44 50.464 12.259 0.130 359 1HZ LYS 44 HZ1 LYS 44 50.578 13.588 1.906 360 2HZ LYS 44 HZ2 LYS 44 50.013 14.802 0.860 361 3HZ LYS 44 HZ3 LYS 44 51.676 14.657 1.178 362 H LYS 45 HN LYS 45 56.007 7.996 0.527 363 HA LYS 45 HA LYS 45 58.744 8.839 0.520 364 1HB LYS 45 HB2 LYS 45 57.984 6.542 1.193 365 2HB LYS 45 HB1 LYS 45 57.683 6.201 -0.514 366 1HG LYS 45 HG2 LYS 45 60.069 6.757 -1.029 367 2HG LYS 45 HG1 LYS 45 60.348 6.992 0.705 368 1HD LYS 45 HD2 LYS 45 59.578 4.640 1.106 369 2HD LYS 45 HD1 LYS 45 59.483 4.417 -0.641 370 1HE LYS 45 HE2 LYS 45 61.817 4.637 -0.917 371 2HE LYS 45 HE1 LYS 45 62.021 5.396 0.662 372 1HZ LYS 45 HZ1 LYS 45 61.560 3.355 1.744 373 2HZ LYS 45 HZ2 LYS 45 62.715 3.021 0.543 374 3HZ LYS 45 HZ3 LYS 45 61.086 2.606 0.299 375 H GLN 46 HN GLN 46 60.242 8.886 -1.159 376 HA GLN 46 HA GLN 46 59.449 9.985 -3.607 377 1HB GLN 46 HB2 GLN 46 61.773 9.914 -2.633 378 2HB GLN 46 HB1 GLN 46 61.875 8.227 -3.137 379 1HG GLN 46 HG2 GLN 46 61.496 8.902 -5.471 380 2HG GLN 46 HG1 GLN 46 61.393 10.587 -4.968 381 1HE2 GLN 46 HE21 GLN 46 63.367 9.680 -6.777 382 2HE2 GLN 46 HE22 GLN 46 64.894 9.831 -6.052 383 H ARG 47 HN ARG 47 59.934 6.534 -2.736 384 HA ARG 47 HA ARG 47 58.183 5.811 -4.993 385 1HB ARG 47 HB2 ARG 47 61.022 4.772 -4.789 386 2HB ARG 47 HB1 ARG 47 59.796 4.103 -5.856 387 1HG ARG 47 HG2 ARG 47 60.715 6.983 -5.945 388 2HG ARG 47 HG1 ARG 47 61.359 5.720 -6.980 389 1HD ARG 47 HD2 ARG 47 59.024 5.296 -7.807 390 2HD ARG 47 HD1 ARG 47 58.491 6.700 -6.885 391 HE ARG 47 HE ARG 47 59.421 8.070 -8.553 392 1HH1 ARG 47 HH21 ARG 47 60.731 4.883 -8.620 393 2HH1 ARG 47 HH22 ARG 47 61.653 5.147 -10.061 394 1HH2 ARG 47 HH11 ARG 47 60.617 8.436 -10.440 395 2HH2 ARG 47 HH12 ARG 47 61.588 7.158 -11.092 396 H PHE 48 HN PHE 48 56.696 4.803 -3.600 397 HA PHE 48 HA PHE 48 57.770 2.474 -2.038 398 1HB PHE 48 HB2 PHE 48 56.439 4.433 -0.859 399 2HB PHE 48 HB1 PHE 48 55.036 3.701 -1.626 400 HD1 PHE 48 HD1 PHE 48 53.801 2.407 -0.128 401 HD2 PHE 48 HD2 PHE 48 58.094 2.354 0.103 402 HE1 PHE 48 HE1 PHE 48 53.688 0.741 1.707 403 HE2 PHE 48 HE2 PHE 48 57.974 0.689 1.929 404 HZ PHE 48 HZ PHE 48 55.782 -0.118 2.735 405 H HIS 49 HN HIS 49 57.100 0.452 -2.990 406 HA HIS 49 HA HIS 49 54.942 0.756 -5.052 407 1HB HIS 49 HB2 HIS 49 57.395 -0.992 -5.231 408 2HB HIS 49 HB1 HIS 49 56.112 -0.888 -6.431 409 HD1 HIS 49 HD1 HIS 49 55.742 1.603 -7.474 410 HD2 HIS 49 HD2 HIS 49 59.377 0.919 -5.553 411 HE1 HIS 49 HE1 HIS 49 57.312 3.431 -8.247 412 H ASN 50 HN ASN 50 53.586 -0.924 -5.483 413 HA ASN 50 HA ASN 50 53.313 -2.957 -3.320 414 1HB ASN 50 HB2 ASN 50 51.445 -1.366 -3.562 415 2HB ASN 50 HB1 ASN 50 51.264 -1.864 -5.229 416 1HD2 ASN 50 HD21 ASN 50 51.372 -3.356 -1.964 417 2HD2 ASN 50 HD22 ASN 50 50.189 -4.521 -2.294 418 H ILE 51 HN ILE 51 53.323 -5.072 -3.823 419 HA ILE 51 HA ILE 51 53.348 -5.855 -6.711 420 HB ILE 51 HB ILE 51 54.523 -7.339 -4.343 421 1HG1 ILE 51 HG12 ILE 51 55.895 -5.808 -6.554 422 2HG1 ILE 51 HG11 ILE 51 55.738 -5.250 -4.892 423 1HG2 ILE 51 HG21 ILE 51 54.355 -9.076 -5.791 424 2HG2 ILE 51 HG22 ILE 51 55.676 -8.295 -6.660 425 3HG2 ILE 51 HG23 ILE 51 54.007 -8.014 -7.154 426 1HD1 ILE 51 HD11 ILE 51 57.927 -6.477 -5.612 427 2HD1 ILE 51 HD12 ILE 51 56.947 -7.936 -5.471 428 3HD1 ILE 51 HD13 ILE 51 57.182 -6.894 -4.068 429 H ARG 52 HN ARG 52 51.782 -7.400 -7.307 430 HA ARG 52 HA ARG 52 49.446 -7.605 -5.788 431 1HB ARG 52 HB2 ARG 52 49.666 -8.234 -8.202 432 2HB ARG 52 HB1 ARG 52 50.491 -9.709 -7.708 433 1HG ARG 52 HG2 ARG 52 48.222 -10.345 -8.042 434 2HG ARG 52 HG1 ARG 52 48.414 -10.221 -6.294 435 1HD ARG 52 HD2 ARG 52 47.449 -7.930 -6.369 436 2HD ARG 52 HD1 ARG 52 47.230 -8.094 -8.108 437 HE ARG 52 HE ARG 52 45.379 -9.513 -7.690 438 1HH1 ARG 52 HH21 ARG 52 47.288 -8.934 -4.880 439 2HH1 ARG 52 HH22 ARG 52 46.143 -9.645 -3.793 440 1HH2 ARG 52 HH11 ARG 52 43.871 -10.442 -6.289 441 2HH2 ARG 52 HH12 ARG 52 44.207 -10.499 -4.591 442 H GLY 53 HN GLY 53 49.501 -8.250 -3.704 443 1HA GLY 53 HA2 GLY 53 49.278 -10.036 -2.115 444 2HA GLY 53 HA1 GLY 53 50.299 -11.045 -3.137 445 H ARG 54 HN ARG 54 52.116 -8.471 -3.288 446 HA ARG 54 HA ARG 54 53.280 -8.702 -0.556 447 1HB ARG 54 HB2 ARG 54 54.798 -9.083 -3.150 448 2HB ARG 54 HB1 ARG 54 55.555 -8.906 -1.569 449 1HG ARG 54 HG2 ARG 54 54.291 -10.886 -0.769 450 2HG ARG 54 HG1 ARG 54 53.599 -11.076 -2.380 451 1HD ARG 54 HD2 ARG 54 55.484 -12.572 -2.231 452 2HD ARG 54 HD1 ARG 54 55.956 -11.233 -3.277 453 HE ARG 54 HE ARG 54 56.860 -10.349 -0.877 454 1HH1 ARG 54 HH21 ARG 54 56.995 -13.417 -2.448 455 2HH1 ARG 54 HH22 ARG 54 58.499 -13.873 -1.719 456 1HH2 ARG 54 HH11 ARG 54 58.822 -10.927 0.085 457 2HH2 ARG 54 HH12 ARG 54 59.533 -12.464 -0.284 458 H TRP 55 HN TRP 55 54.503 -6.866 0.113 459 HA TRP 55 HA TRP 55 54.183 -4.480 -1.658 460 1HB TRP 55 HB2 TRP 55 53.481 -4.857 1.112 461 2HB TRP 55 HB1 TRP 55 54.722 -3.609 0.990 462 HD1 TRP 55 HD1 TRP 55 51.098 -4.265 0.239 463 HE1 TRP 55 HE1 TRP 55 50.038 -2.182 -0.823 464 HE3 TRP 55 HE3 TRP 55 55.291 -1.499 -0.594 465 HZ2 TRP 55 HZ2 TRP 55 50.866 0.311 -1.909 466 HZ3 TRP 55 HZ3 TRP 55 55.124 0.741 -1.639 467 HH2 TRP 55 HH2 TRP 55 52.919 1.652 -2.296 468 H THR 56 HN THR 56 55.975 -2.978 -1.765 469 HA THR 56 HA THR 56 58.506 -4.056 -0.603 470 HB THR 56 HB THR 56 58.143 -4.661 -3.079 471 HG1 THR 56 HG1 THR 56 60.397 -3.055 -2.491 472 1HG2 THR 56 HG21 THR 56 59.160 -2.008 -3.835 473 2HG2 THR 56 HG22 THR 56 57.484 -2.012 -3.289 474 3HG2 THR 56 HG23 THR 56 57.971 -3.032 -4.642 475 H GLY 57 HN GLY 57 60.194 -2.502 -0.444 476 1HA GLY 57 HA2 GLY 57 60.403 0.124 -1.066 477 2HA GLY 57 HA1 GLY 57 59.201 0.175 0.221 478 H ARG 58 HN ARG 58 59.834 -0.929 2.285 479 HA ARG 58 HA ARG 58 62.302 0.008 3.239 480 1HB ARG 58 HB2 ARG 58 60.577 -0.583 4.798 481 2HB ARG 58 HB1 ARG 58 60.666 -2.278 4.284 482 1HG ARG 58 HG2 ARG 58 62.932 -2.483 5.006 483 2HG ARG 58 HG1 ARG 58 63.049 -0.751 5.336 484 1HD ARG 58 HD2 ARG 58 61.171 -1.151 7.019 485 2HD ARG 58 HD1 ARG 58 61.507 -2.871 6.819 486 HE ARG 58 HE ARG 58 63.402 -2.527 8.174 487 1HH1 ARG 58 HH21 ARG 58 62.383 0.323 6.521 488 2HH1 ARG 58 HH22 ARG 58 63.577 1.346 7.256 489 1HH2 ARG 58 HH11 ARG 58 64.982 -1.206 9.155 490 2HH2 ARG 58 HH12 ARG 58 65.050 0.477 8.749 491 H CYS 59 HN CYS 59 61.531 -3.250 2.117 492 HA CYS 59 HA CYS 59 63.990 -4.309 2.981 493 1HB CYS 59 HB2 CYS 59 61.809 -5.400 1.967 494 2HB CYS 59 HB1 CYS 59 62.813 -5.395 0.526 495 H MET 60 HN MET 60 63.185 -2.438 0.157 496 HA MET 60 HA MET 60 65.451 -3.083 -1.445 497 1HB MET 60 HB2 MET 60 63.547 -1.555 -2.130 498 2HB MET 60 HB1 MET 60 64.258 -0.311 -1.102 499 1HG MET 60 HG2 MET 60 66.394 -0.545 -2.403 500 2HG MET 60 HG1 MET 60 65.551 -1.642 -3.498 501 1HE MET 60 HE1 MET 60 63.140 0.094 -5.410 502 2HE MET 60 HE2 MET 60 62.437 0.100 -3.795 503 3HE MET 60 HE3 MET 60 63.414 -1.270 -4.317 504 H SER 61 HN SER 61 65.022 -0.940 1.330 505 HA SER 61 HA SER 61 67.681 0.155 1.318 506 1HB SER 61 HB2 SER 61 67.199 0.859 3.588 507 2HB SER 61 HB1 SER 61 65.737 1.077 2.630 508 HG SER 61 HG SER 61 66.291 -1.274 4.115 509 H CYS 62 HN CYS 62 66.282 -2.859 2.500 510 HA CYS 62 HA CYS 62 68.409 -3.624 4.244 511 1HB CYS 62 HB2 CYS 62 66.613 -5.420 2.558 512 2HB CYS 62 HB1 CYS 62 67.636 -5.947 3.892 513 H SER 63 HN SER 63 68.080 -3.724 0.747 514 HA SER 63 HA SER 63 70.859 -4.842 0.630 515 1HB SER 63 HB2 SER 63 68.640 -5.163 -1.413 516 2HB SER 63 HB1 SER 63 70.270 -5.815 -1.552 517 HG SER 63 HG SER 63 68.784 -6.377 0.752 518 H ARG 64 HN ARG 64 72.296 -3.816 -0.804 519 HA ARG 64 HA ARG 64 71.958 -1.040 -1.264 520 1HB ARG 64 HB2 ARG 64 74.155 -2.221 -1.256 521 2HB ARG 64 HB1 ARG 64 73.745 -2.937 -2.816 522 1HG ARG 64 HG2 ARG 64 73.501 -0.661 -3.776 523 2HG ARG 64 HG1 ARG 64 73.977 0.029 -2.223 524 1HD ARG 64 HD2 ARG 64 76.133 -1.223 -2.376 525 2HD ARG 64 HD1 ARG 64 75.661 -1.776 -3.984 526 HE ARG 64 HE ARG 64 75.675 1.149 -3.567 527 1HH1 ARG 64 HH21 ARG 64 77.200 -1.724 -4.706 528 2HH1 ARG 64 HH22 ARG 64 78.273 -0.890 -5.778 529 1HH2 ARG 64 HH11 ARG 64 77.063 2.258 -4.966 530 2HH2 ARG 64 HH12 ARG 64 78.195 1.365 -5.927 531 H SER 65 HN SER 65 71.301 -3.817 -3.376 532 HA SER 65 HA SER 65 69.794 -1.959 -5.161 533 1HB SER 65 HB2 SER 65 70.671 -3.075 -7.132 534 2HB SER 65 HB1 SER 65 72.026 -2.519 -6.156 535 HG SER 65 HG SER 65 71.034 -5.113 -6.564 536 H SER 66 HN SER 66 68.124 -3.078 -6.437 537 HA SER 66 HA SER 66 67.237 -5.624 -5.135 538 1HB SER 66 HB2 SER 66 65.787 -3.650 -4.625 539 2HB SER 66 HB1 SER 66 65.496 -3.457 -6.351 540 HG SER 66 HG SER 66 63.887 -4.761 -5.843 541 H ARG 67 HN ARG 67 66.539 -7.277 -6.520 542 HA ARG 67 HA ARG 67 66.939 -6.739 -9.437 543 1HB ARG 67 HB2 ARG 67 67.585 -9.068 -9.677 544 2HB ARG 67 HB1 ARG 67 68.545 -8.356 -8.379 545 1HG ARG 67 HG2 ARG 67 66.814 -9.243 -6.752 546 2HG ARG 67 HG1 ARG 67 66.110 -10.136 -8.101 547 1HD ARG 67 HD2 ARG 67 68.339 -11.208 -8.491 548 2HD ARG 67 HD1 ARG 67 68.940 -10.398 -7.045 549 HE ARG 67 HE ARG 67 66.561 -11.863 -6.400 550 1HH1 ARG 67 HH21 ARG 67 69.881 -12.212 -7.259 551 2HH1 ARG 67 HH22 ARG 67 70.082 -13.708 -6.409 552 1HH2 ARG 67 HH11 ARG 67 66.804 -13.816 -5.286 553 2HH2 ARG 67 HH12 ARG 67 68.340 -14.616 -5.292
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