NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
534588 | 2la1 | 6915 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ARG 1 1HT ARG 1 2.853 10.742 3.593 2 H2 ARG 1 2HT ARG 1 1.280 10.589 4.218 3 H3 ARG 1 3HT ARG 1 2.330 11.770 4.838 4 HA ARG 1 HA ARG 1 1.263 13.151 3.471 5 HB2 ARG 1 2HB ARG 1 2.615 13.557 1.651 6 HB3 ARG 1 1HB ARG 1 3.611 12.347 2.449 7 HG2 ARG 1 2HG ARG 1 1.915 10.789 0.923 8 HG3 ARG 1 1HG ARG 1 2.186 12.185 -0.111 9 HD2 ARG 1 2HD ARG 1 4.405 10.663 1.239 10 HD3 ARG 1 1HD ARG 1 3.844 10.292 -0.378 11 HE ARG 1 HE ARG 1 5.473 11.927 -0.899 12 HH11 ARG 1 1HH2 ARG 1 5.283 12.911 2.125 13 HH12 ARG 1 2HH2 ARG 1 4.978 14.588 1.833 14 HH21 ARG 1 1HH1 ARG 1 4.350 14.167 -1.540 15 HH22 ARG 1 2HH1 ARG 1 4.449 15.296 -0.233 16 H ILE 2 H ILE 2 0.535 12.758 0.634 17 HA ILE 2 HA ILE 2 -1.948 11.244 1.123 18 HB ILE 2 HB ILE 2 -0.965 12.811 -1.269 19 HG12 ILE 2 2HG1 ILE 2 -3.263 13.954 -0.474 20 HG13 ILE 2 1HG1 ILE 2 -2.756 13.235 1.057 21 HG21 ILE 2 1HG2 ILE 2 -2.352 11.395 -2.420 22 HG22 ILE 2 2HG2 ILE 2 -3.624 12.386 -1.707 23 HG23 ILE 2 3HG2 ILE 2 -3.174 10.855 -0.956 24 HD11 ILE 2 3HD1 ILE 2 -1.531 15.145 1.287 25 HD12 ILE 2 1HD1 ILE 2 -1.575 15.491 -0.442 26 HD13 ILE 2 2HD1 ILE 2 -0.407 14.334 0.196 27 H CYS 3 H CYS 3 -1.656 9.043 1.037 28 HA CYS 3 HA CYS 3 -0.199 8.094 -1.381 29 HB2 CYS 3 2HB CYS 3 -0.465 6.717 1.307 30 HB3 CYS 3 1HB CYS 3 0.239 5.965 -0.119 31 H TYR 4 H TYR 4 -1.047 5.765 -2.033 32 HA TYR 4 HA TYR 4 -3.928 6.110 -2.409 33 HB2 TYR 4 2HB TYR 4 -1.807 4.510 -3.625 34 HB3 TYR 4 1HB TYR 4 -3.290 3.586 -3.383 35 HD1 TYR 4 1HD TYR 4 -5.495 4.578 -4.218 36 HD2 TYR 4 2HD TYR 4 -1.650 6.134 -5.334 37 HE1 TYR 4 1HE TYR 4 -6.522 5.736 -6.154 38 HE2 TYR 4 2HE TYR 4 -2.678 7.291 -7.269 39 HH TYR 4 HH TYR 4 -6.193 7.119 -7.854 40 H ASN 5 H ASN 5 -5.538 4.958 -1.427 41 HA ASN 5 HA ASN 5 -4.705 3.076 0.740 42 HB2 ASN 5 2HB ASN 5 -5.755 4.990 1.694 43 HB3 ASN 5 1HB ASN 5 -7.040 4.984 0.489 44 HD21 ASN 5 1HD2 ASN 5 -5.793 2.121 2.229 45 HD22 ASN 5 2HD2 ASN 5 -7.246 1.790 3.035 46 H HIS 6 H HIS 6 -5.510 2.723 -2.263 47 HA HIS 6 HA HIS 6 -7.988 1.333 -2.347 48 HB2 HIS 6 2HB HIS 6 -7.343 1.591 -4.490 49 HB3 HIS 6 1HB HIS 6 -5.647 1.653 -4.076 50 HD1 HIS 6 1HD HIS 6 -4.597 -0.849 -3.505 51 HD2 HIS 6 2HD HIS 6 -8.112 -0.751 -5.738 52 HE1 HIS 6 1HE HIS 6 -4.758 -3.079 -4.692 53 H LEU 7 H LEU 7 -8.572 -0.666 -1.738 54 HA LEU 7 HA LEU 7 -6.469 -2.408 -0.531 55 HB2 LEU 7 2HB LEU 7 -9.238 -1.741 0.200 56 HB3 LEU 7 1HB LEU 7 -8.870 -3.465 0.288 57 HG LEU 7 HG LEU 7 -6.938 -3.017 1.714 58 HD11 LEU 7 1HD1 LEU 7 -6.660 -0.623 2.554 59 HD12 LEU 7 2HD1 LEU 7 -7.704 -0.133 1.219 60 HD13 LEU 7 3HD1 LEU 7 -6.158 -0.917 0.889 61 HD21 LEU 7 3HD2 LEU 7 -9.625 -1.921 2.454 62 HD22 LEU 7 1HD2 LEU 7 -8.288 -1.690 3.580 63 HD23 LEU 7 2HD2 LEU 7 -8.770 -3.318 3.106 64 H GLY 8 H GLY 8 -5.803 -3.796 -2.132 65 HA2 GLY 8 2HA GLY 8 -6.000 -5.228 -4.029 66 HA3 GLY 8 1HA GLY 8 -6.997 -6.101 -2.871 67 H THR 9 H THR 9 -9.181 -6.282 -3.289 68 HA THR 9 HA THR 9 -10.128 -5.208 -5.871 69 HB THR 9 HB THR 9 -10.538 -7.594 -5.201 70 HG1 THR 9 1HG THR 9 -12.617 -7.566 -5.965 71 HG21 THR 9 3HG2 THR 9 -12.150 -6.200 -3.064 72 HG22 THR 9 1HG2 THR 9 -10.930 -7.458 -2.866 73 HG23 THR 9 2HG2 THR 9 -12.501 -7.855 -3.562 74 H LYS 10 H LYS 10 -10.492 -4.576 -2.480 75 HA LYS 10 HA LYS 10 -12.998 -3.377 -2.267 76 HB2 LYS 10 2HB LYS 10 -10.340 -2.941 -1.010 77 HB3 LYS 10 1HB LYS 10 -11.485 -1.616 -0.843 78 HG2 LYS 10 2HG LYS 10 -13.124 -3.677 -0.265 79 HG3 LYS 10 1HG LYS 10 -11.594 -4.374 0.269 80 HD2 LYS 10 2HD LYS 10 -11.306 -2.809 1.946 81 HD3 LYS 10 1HD LYS 10 -12.224 -1.568 1.090 82 HE2 LYS 10 2HE LYS 10 -14.020 -2.105 2.334 83 HE3 LYS 10 1HE LYS 10 -14.029 -3.691 1.564 84 HZ1 LYS 10 3HZ LYS 10 -12.242 -4.267 3.270 85 HZ2 LYS 10 1HZ LYS 10 -13.844 -4.157 3.816 86 HZ3 LYS 10 2HZ LYS 10 -12.759 -2.881 4.103 87 HA PRO 11 HA PRO 11 -12.991 0.177 -4.824 88 HB2 PRO 11 2HB PRO 11 -13.885 2.198 -3.167 89 HB3 PRO 11 1HB PRO 11 -14.934 0.951 -3.865 90 HG2 PRO 11 2HG PRO 11 -13.875 1.171 -1.074 91 HG3 PRO 11 1HG PRO 11 -15.397 0.464 -1.646 92 HD2 PRO 11 2HD PRO 11 -13.153 -1.018 -0.910 93 HD3 PRO 11 1HD PRO 11 -14.451 -1.616 -1.962 94 HA PRO 12 HA PRO 12 -8.947 1.737 -3.894 95 HB2 PRO 12 2HB PRO 12 -8.531 2.942 -6.334 96 HB3 PRO 12 1HB PRO 12 -8.342 1.204 -6.041 97 HG2 PRO 12 2HG PRO 12 -10.559 2.647 -7.426 98 HG3 PRO 12 1HG PRO 12 -9.976 0.992 -7.665 99 HD2 PRO 12 2HD PRO 12 -12.287 1.714 -6.227 100 HD3 PRO 12 1HD PRO 12 -11.470 0.138 -6.145 101 H THR 13 H THR 13 -8.591 3.482 -2.654 102 HA THR 13 HA THR 13 -9.434 6.150 -3.654 103 HB THR 13 HB THR 13 -11.221 6.057 -2.225 104 HG1 THR 13 1HG THR 13 -10.360 6.566 0.024 105 HG21 THR 13 3HG2 THR 13 -11.301 4.581 -0.223 106 HG22 THR 13 1HG2 THR 13 -9.647 4.072 -0.561 107 HG23 THR 13 2HG2 THR 13 -10.938 3.686 -1.698 108 H THR 14 H THR 14 -8.110 7.862 -2.797 109 HA THR 14 HA THR 14 -5.491 6.928 -1.866 110 HB THR 14 HB THR 14 -5.059 9.492 -1.793 111 HG1 THR 14 1HG THR 14 -6.939 10.459 -1.962 112 HG21 THR 14 3HG2 THR 14 -4.096 8.235 -3.549 113 HG22 THR 14 1HG2 THR 14 -5.002 9.513 -4.360 114 HG23 THR 14 2HG2 THR 14 -5.668 7.883 -4.268 115 H GLU 15 H GLU 15 -4.492 8.114 0.063 116 HA GLU 15 HA GLU 15 -6.426 8.968 2.119 117 HB2 GLU 15 2HB GLU 15 -6.497 6.547 2.376 118 HB3 GLU 15 1HB GLU 15 -4.736 6.466 2.418 119 HG2 GLU 15 2HG GLU 15 -5.796 6.352 4.685 120 HG3 GLU 15 1HG GLU 15 -4.680 7.710 4.503 121 H THR 16 H THR 16 -5.470 10.617 3.218 122 HA THR 16 HA THR 16 -2.655 11.199 2.794 123 HB THR 16 HB THR 16 -4.003 12.613 5.007 124 HG1 THR 16 1HG THR 16 -5.733 13.170 3.968 125 HG21 THR 16 3HG2 THR 16 -3.343 14.235 2.742 126 HG22 THR 16 1HG2 THR 16 -2.040 13.075 2.997 127 HG23 THR 16 2HG2 THR 16 -2.529 14.154 4.304 128 H CYS 17 H CYS 17 -0.968 10.910 4.215 129 HA CYS 17 HA CYS 17 -1.543 9.686 6.867 130 HB2 CYS 17 2HB CYS 17 -0.995 8.095 4.801 131 HB3 CYS 17 1HB CYS 17 0.654 8.563 5.202 132 H GLN 18 H GLN 18 0.972 9.225 7.759 133 HA GLN 18 HA GLN 18 2.154 11.938 7.755 134 HB2 GLN 18 2HB GLN 18 1.707 10.807 9.924 135 HB3 GLN 18 1HB GLN 18 2.864 9.557 9.478 136 HG2 GLN 18 2HG GLN 18 3.849 11.414 10.889 137 HG3 GLN 18 1HG GLN 18 4.665 11.149 9.355 138 HE21 GLN 18 1HE2 GLN 18 4.175 12.685 7.566 139 HE22 GLN 18 2HE2 GLN 18 3.573 14.234 7.904 140 H GLU 19 H GLU 19 3.139 8.556 7.253 141 HA GLU 19 HA GLU 19 5.875 9.203 6.710 142 HB2 GLU 19 2HB GLU 19 4.811 6.854 5.265 143 HB3 GLU 19 1HB GLU 19 6.211 6.983 6.318 144 HG2 GLU 19 2HG GLU 19 4.270 7.364 8.149 145 HG3 GLU 19 1HG GLU 19 3.394 6.342 7.009 146 H ASP 20 H ASP 20 6.807 10.039 4.944 147 HA ASP 20 HA ASP 20 5.175 11.018 2.779 148 HB2 ASP 20 2HB ASP 20 7.808 10.968 1.792 149 HB3 ASP 20 1HB ASP 20 6.969 12.346 2.484 150 H SER 21 H SER 21 6.422 7.977 3.472 151 HA SER 21 HA SER 21 6.767 7.211 0.673 152 HB2 SER 21 2HB SER 21 6.663 4.908 2.303 153 HB3 SER 21 1HB SER 21 8.099 5.667 1.631 154 HG SER 21 HG SER 21 8.268 5.607 3.870 155 H CYS 22 H CYS 22 5.550 5.003 0.144 156 HA CYS 22 HA CYS 22 2.812 4.968 1.276 157 HB2 CYS 22 2HB CYS 22 3.256 5.000 -1.718 158 HB3 CYS 22 1HB CYS 22 1.720 5.055 -0.863 159 H TYR 23 H TYR 23 2.520 2.820 1.836 160 HA TYR 23 HA TYR 23 4.166 0.884 0.317 161 HB2 TYR 23 2HB TYR 23 4.303 -0.472 2.148 162 HB3 TYR 23 1HB TYR 23 4.141 1.076 2.943 163 HD1 TYR 23 1HD TYR 23 1.162 1.551 2.616 164 HD2 TYR 23 2HD TYR 23 3.387 -1.973 3.637 165 HE1 TYR 23 1HE TYR 23 -0.799 0.651 3.863 166 HE2 TYR 23 2HE TYR 23 1.436 -2.861 4.873 167 HH TYR 23 HH TYR 23 -1.185 -2.455 4.696 168 H LYS 24 H LYS 24 3.394 -0.609 -0.895 169 HA LYS 24 HA LYS 24 0.511 -1.281 -0.845 170 HB2 LYS 24 2HB LYS 24 0.449 0.288 -2.560 171 HB3 LYS 24 1HB LYS 24 2.073 -0.086 -3.106 172 HG2 LYS 24 2HG LYS 24 0.840 -2.466 -3.577 173 HG3 LYS 24 1HG LYS 24 -0.503 -1.345 -3.813 174 HD2 LYS 24 2HD LYS 24 1.981 -0.382 -5.000 175 HD3 LYS 24 1HD LYS 24 1.461 -1.923 -5.681 176 HE2 LYS 24 2HE LYS 24 -0.826 -0.206 -5.362 177 HE3 LYS 24 1HE LYS 24 0.428 0.655 -6.255 178 HZ1 LYS 24 3HZ LYS 24 -0.633 -2.042 -6.904 179 HZ2 LYS 24 1HZ LYS 24 0.606 -1.248 -7.747 180 HZ3 LYS 24 2HZ LYS 24 -0.966 -0.607 -7.750 181 H ASN 25 H ASN 25 0.695 -3.325 -0.273 182 HA ASN 25 HA ASN 25 2.680 -5.025 -1.723 183 HB2 ASN 25 2HB ASN 25 2.559 -6.319 0.573 184 HB3 ASN 25 1HB ASN 25 3.572 -4.890 0.426 185 HD21 ASN 25 1HD2 ASN 25 2.341 -2.747 0.948 186 HD22 ASN 25 2HD2 ASN 25 1.283 -2.793 2.269 187 H ILE 26 H ILE 26 2.080 -7.240 -2.011 188 HA ILE 26 HA ILE 26 -0.803 -7.629 -2.399 189 HB ILE 26 HB ILE 26 -0.178 -9.633 -3.565 190 HG12 ILE 26 2HG1 ILE 26 2.426 -10.163 -3.461 191 HG13 ILE 26 1HG1 ILE 26 2.295 -9.368 -1.891 192 HG21 ILE 26 1HG2 ILE 26 0.431 -7.430 -4.635 193 HG22 ILE 26 2HG2 ILE 26 1.409 -8.789 -5.188 194 HG23 ILE 26 3HG2 ILE 26 2.069 -7.648 -4.018 195 HD11 ILE 26 3HD1 ILE 26 1.844 -11.997 -2.197 196 HD12 ILE 26 1HD1 ILE 26 0.221 -11.404 -2.550 197 HD13 ILE 26 2HD1 ILE 26 0.979 -11.030 -1.003 198 H TRP 27 H TRP 27 1.672 -8.539 -0.116 199 HA TRP 27 HA TRP 27 0.207 -10.753 1.071 200 HB2 TRP 27 2HB TRP 27 2.253 -9.100 2.522 201 HB3 TRP 27 1HB TRP 27 1.933 -10.828 2.668 202 HD1 TRP 27 HD TRP 27 4.216 -8.459 1.040 203 HE1 TRP 27 1HE TRP 27 5.619 -9.632 -0.776 204 HE3 TRP 27 3HE TRP 27 1.636 -12.849 0.632 205 HZ2 TRP 27 2HZ TRP 27 5.640 -12.103 -2.215 206 HZ3 TRP 27 3HZ TRP 27 2.369 -14.594 -0.968 207 HH2 TRP 27 HH TRP 27 4.366 -14.227 -2.392 208 H THR 28 H THR 28 -1.426 -10.610 2.564 209 HA THR 28 HA THR 28 -1.591 -8.313 4.362 210 HB THR 28 HB THR 28 -2.614 -7.581 2.144 211 HG1 THR 28 1HG THR 28 -4.697 -7.065 3.490 212 HG21 THR 28 3HG2 THR 28 -4.399 -8.675 1.264 213 HG22 THR 28 1HG2 THR 28 -5.124 -8.957 2.846 214 HG23 THR 28 2HG2 THR 28 -3.851 -10.026 2.257 215 H PHE 29 H PHE 29 -4.502 -8.762 4.766 216 HA PHE 29 HA PHE 29 -4.280 -11.420 6.114 217 HB2 PHE 29 2HB PHE 29 -5.145 -8.810 7.043 218 HB3 PHE 29 1HB PHE 29 -6.416 -10.012 7.266 219 HD1 PHE 29 1HD PHE 29 -2.725 -10.534 7.269 220 HD2 PHE 29 2HD PHE 29 -6.336 -10.461 9.592 221 HE1 PHE 29 1HE PHE 29 -1.496 -11.477 9.207 222 HE2 PHE 29 2HE PHE 29 -5.108 -11.405 11.530 223 HZ PHE 29 HZ PHE 29 -2.689 -11.913 11.337 224 H ASP 30 H ASP 30 -7.172 -9.443 5.515 225 HA ASP 30 HA ASP 30 -8.500 -11.829 4.417 226 HB2 ASP 30 2HB ASP 30 -10.516 -10.315 4.373 227 HB3 ASP 30 1HB ASP 30 -9.791 -10.505 5.969 228 H ASN 31 H ASN 31 -7.711 -8.524 3.297 229 HA ASN 31 HA ASN 31 -8.692 -9.121 0.605 230 HB2 ASN 31 2HB ASN 31 -8.219 -6.789 2.045 231 HB3 ASN 31 1HB ASN 31 -6.935 -6.795 0.836 232 HD21 ASN 31 1HD2 ASN 31 -10.359 -7.939 0.698 233 HD22 ASN 31 2HD2 ASN 31 -10.765 -7.016 -0.667 234 H ILE 32 H ILE 32 -6.462 -7.678 -0.726 235 HA ILE 32 HA ILE 32 -4.307 -9.725 -0.463 236 HB ILE 32 HB ILE 32 -5.064 -8.670 -3.168 237 HG12 ILE 32 2HG1 ILE 32 -7.184 -9.475 -2.216 238 HG13 ILE 32 1HG1 ILE 32 -6.600 -10.610 -3.434 239 HG21 ILE 32 1HG2 ILE 32 -4.256 -10.994 -3.766 240 HG22 ILE 32 2HG2 ILE 32 -3.831 -11.207 -2.067 241 HG23 ILE 32 3HG2 ILE 32 -3.034 -9.960 -3.025 242 HD11 ILE 32 3HD1 ILE 32 -6.477 -12.263 -1.913 243 HD12 ILE 32 1HD1 ILE 32 -7.243 -11.183 -0.748 244 HD13 ILE 32 2HD1 ILE 32 -5.484 -11.266 -0.851 245 H ILE 33 H ILE 33 -4.933 -6.820 -2.469 246 HA ILE 33 HA ILE 33 -2.173 -5.910 -1.875 247 HB ILE 33 HB ILE 33 -3.984 -4.291 -3.582 248 HG12 ILE 33 2HG1 ILE 33 -4.635 -6.495 -4.276 249 HG13 ILE 33 1HG1 ILE 33 -3.557 -5.841 -5.508 250 HG21 ILE 33 1HG2 ILE 33 -1.106 -4.943 -3.332 251 HG22 ILE 33 2HG2 ILE 33 -1.884 -3.423 -3.771 252 HG23 ILE 33 3HG2 ILE 33 -1.694 -4.696 -4.976 253 HD11 ILE 33 3HD1 ILE 33 -2.541 -7.888 -5.234 254 HD12 ILE 33 1HD1 ILE 33 -3.110 -8.063 -3.573 255 HD13 ILE 33 2HD1 ILE 33 -1.729 -7.025 -3.929 256 H ARG 34 H ARG 34 -1.745 -3.954 -0.835 257 HA ARG 34 HA ARG 34 -4.062 -2.311 -0.008 258 HB2 ARG 34 2HB ARG 34 -3.536 -4.095 1.773 259 HB3 ARG 34 1HB ARG 34 -2.095 -3.126 2.104 260 HG2 ARG 34 2HG ARG 34 -3.316 -1.306 2.837 261 HG3 ARG 34 1HG ARG 34 -4.723 -1.730 1.878 262 HD2 ARG 34 2HD ARG 34 -5.316 -3.514 3.379 263 HD3 ARG 34 1HD ARG 34 -3.790 -3.361 4.248 264 HE ARG 34 HE ARG 34 -5.705 -1.077 4.247 265 HH11 ARG 34 1HH1 ARG 34 -6.081 -3.600 6.071 266 HH12 ARG 34 2HH1 ARG 34 -5.424 -2.986 7.552 267 HH21 ARG 34 1HH2 ARG 34 -3.904 -0.251 6.056 268 HH22 ARG 34 2HH2 ARG 34 -4.192 -1.091 7.544 269 H ARG 35 H ARG 35 -3.500 -0.381 -0.691 270 HA ARG 35 HA ARG 35 -0.683 0.503 -0.672 271 HB2 ARG 35 2HB ARG 35 -3.182 1.813 -1.783 272 HB3 ARG 35 1HB ARG 35 -1.555 2.457 -1.940 273 HG2 ARG 35 2HG ARG 35 -0.958 0.937 -3.521 274 HG3 ARG 35 1HG ARG 35 -1.838 -0.369 -2.736 275 HD2 ARG 35 2HD ARG 35 -3.967 0.902 -3.545 276 HD3 ARG 35 1HD ARG 35 -2.863 1.703 -4.662 277 HE ARG 35 HE ARG 35 -2.881 -1.270 -4.582 278 HH11 ARG 35 1HH2 ARG 35 -4.181 1.539 -6.026 279 HH12 ARG 35 2HH2 ARG 35 -4.107 0.919 -7.642 280 HH21 ARG 35 1HH1 ARG 35 -2.504 -2.017 -6.723 281 HH22 ARG 35 2HH1 ARG 35 -3.157 -1.097 -8.037 282 H GLY 36 H GLY 36 0.106 1.796 0.912 283 HA2 GLY 36 2HA GLY 36 -1.785 3.448 2.500 284 HA3 GLY 36 1HA GLY 36 -0.750 2.320 3.351 285 H CYS 37 H CYS 37 0.408 3.860 4.442 286 HA CYS 37 HA CYS 37 2.089 5.680 2.767 287 HB2 CYS 37 2HB CYS 37 2.118 7.185 4.723 288 HB3 CYS 37 1HB CYS 37 0.486 6.898 4.119 289 H GLY 38 H GLY 38 4.108 4.806 2.699 290 HA2 GLY 38 2HA GLY 38 6.199 4.771 4.094 291 HA3 GLY 38 1HA GLY 38 5.272 3.824 5.256 292 H CYS 39 H CYS 39 6.832 2.141 4.998 293 HA CYS 39 HA CYS 39 6.522 0.648 2.422 294 HB2 CYS 39 2HB CYS 39 8.820 0.502 4.399 295 HB3 CYS 39 1HB CYS 39 8.674 -0.449 2.923 296 H PHE 40 H PHE 40 6.758 -1.749 2.736 297 HA PHE 40 HA PHE 40 4.747 -2.679 4.574 298 HB2 PHE 40 2HB PHE 40 6.143 -4.959 3.847 299 HB3 PHE 40 1HB PHE 40 4.785 -4.277 2.959 300 HD1 PHE 40 1HD PHE 40 5.129 -2.913 0.976 301 HD2 PHE 40 2HD PHE 40 8.436 -4.593 3.128 302 HE1 PHE 40 1HE PHE 40 6.637 -2.332 -0.907 303 HE2 PHE 40 2HE PHE 40 9.953 -4.026 1.248 304 HZ PHE 40 HZ PHE 40 9.059 -2.889 -0.774 305 H THR 41 H THR 41 5.510 -4.836 5.871 306 HA THR 41 HA THR 41 7.377 -3.734 7.859 307 HB THR 41 HB THR 41 5.419 -6.021 7.960 308 HG1 THR 41 1HG THR 41 4.303 -4.431 8.693 309 HG21 THR 41 3HG2 THR 41 6.379 -5.726 10.517 310 HG22 THR 41 1HG2 THR 41 7.848 -5.579 9.554 311 HG23 THR 41 2HG2 THR 41 6.844 -7.021 9.415 312 HA PRO 42 HA PRO 42 9.689 -7.724 6.912 313 HB2 PRO 42 2HB PRO 42 8.715 -9.439 5.001 314 HB3 PRO 42 1HB PRO 42 8.220 -9.491 6.703 315 HG2 PRO 42 2HG PRO 42 6.664 -8.610 4.354 316 HG3 PRO 42 1HG PRO 42 6.093 -9.039 5.974 317 HD2 PRO 42 2HD PRO 42 6.526 -6.402 4.865 318 HD3 PRO 42 1HD PRO 42 5.872 -6.809 6.460 319 H ARG 43 H ARG 43 10.125 -5.330 5.526 320 HA ARG 43 HA ARG 43 10.371 -5.462 2.723 321 HB2 ARG 43 2HB ARG 43 12.231 -3.844 2.963 322 HB3 ARG 43 1HB ARG 43 10.869 -3.422 3.985 323 HG2 ARG 43 2HG ARG 43 12.130 -4.887 5.776 324 HG3 ARG 43 1HG ARG 43 13.532 -4.538 4.765 325 HD2 ARG 43 2HD ARG 43 12.211 -2.079 5.027 326 HD3 ARG 43 1HD ARG 43 12.147 -2.802 6.635 327 HE ARG 43 HE ARG 43 14.665 -3.071 6.424 328 HH11 ARG 43 1HH2 ARG 43 13.438 -1.456 3.739 329 HH12 ARG 43 2HH2 ARG 43 14.547 -0.127 3.818 330 HH21 ARG 43 1HH1 ARG 43 15.875 -1.074 6.877 331 HH22 ARG 43 2HH1 ARG 43 15.925 0.091 5.596 332 H GLY 44 H GLY 44 11.892 -6.384 1.350 333 HA2 GLY 44 2HA GLY 44 14.443 -7.250 1.926 334 HA3 GLY 44 1HA GLY 44 13.410 -8.584 2.430 335 H ASP 45 H ASP 45 14.802 -9.576 0.571 336 HA ASP 45 HA ASP 45 13.781 -8.871 -2.114 337 HB2 ASP 45 2HB ASP 45 16.129 -10.291 -1.035 338 HB3 ASP 45 1HB ASP 45 15.448 -11.007 -2.496 339 H MET 46 H MET 46 13.230 -11.236 0.369 340 HA MET 46 HA MET 46 12.310 -13.386 -1.269 341 HB2 MET 46 2HB MET 46 12.409 -12.831 1.512 342 HB3 MET 46 1HB MET 46 10.737 -13.238 1.127 343 HG2 MET 46 2HG MET 46 11.801 -15.200 -0.242 344 HG3 MET 46 1HG MET 46 13.212 -14.907 0.775 345 HE1 MET 46 3HE MET 46 9.656 -17.306 1.463 346 HE2 MET 46 1HE MET 46 11.267 -17.875 1.008 347 HE3 MET 46 2HE MET 46 10.455 -16.651 0.037 348 HA PRO 47 HA PRO 47 8.008 -11.372 -1.039 349 HB2 PRO 47 2HB PRO 47 7.766 -9.004 0.329 350 HB3 PRO 47 1HB PRO 47 7.618 -10.587 1.100 351 HG2 PRO 47 2HG PRO 47 9.847 -8.629 1.270 352 HG3 PRO 47 1HG PRO 47 9.394 -9.912 2.402 353 HD2 PRO 47 2HD PRO 47 11.510 -9.993 0.484 354 HD3 PRO 47 1HD PRO 47 10.935 -11.335 1.490 355 H GLY 48 H GLY 48 6.976 -9.581 -2.328 356 HA2 GLY 48 2HA GLY 48 8.910 -7.676 -3.490 357 HA3 GLY 48 1HA GLY 48 8.015 -8.724 -4.580 358 HA PRO 49 HA PRO 49 4.631 -5.968 -2.769 359 HB2 PRO 49 2HB PRO 49 5.175 -4.470 -0.541 360 HB3 PRO 49 1HB PRO 49 4.581 -6.134 -0.479 361 HG2 PRO 49 2HG PRO 49 7.306 -5.118 0.107 362 HG3 PRO 49 1HG PRO 49 6.520 -6.593 0.667 363 HD2 PRO 49 2HD PRO 49 8.446 -6.393 -1.420 364 HD3 PRO 49 1HD PRO 49 7.473 -7.806 -0.991 365 H TYR 50 H TYR 50 4.385 -3.298 -2.221 366 HA TYR 50 HA TYR 50 6.568 -2.019 -3.808 367 HB2 TYR 50 2HB TYR 50 4.303 -2.581 -5.001 368 HB3 TYR 50 1HB TYR 50 3.725 -1.145 -4.152 369 HD1 TYR 50 1HD TYR 50 6.844 -2.174 -5.985 370 HD2 TYR 50 2HD TYR 50 3.828 0.823 -5.374 371 HE1 TYR 50 1HE TYR 50 7.938 -0.730 -7.678 372 HE2 TYR 50 2HE TYR 50 4.923 2.268 -7.068 373 HH TYR 50 HH TYR 50 7.570 1.098 -9.047 374 H CYS 51 H CYS 51 7.521 -0.618 -2.419 375 HA CYS 51 HA CYS 51 5.777 1.182 -0.741 376 HB2 CYS 51 2HB CYS 51 7.567 -0.094 0.505 377 HB3 CYS 51 1HB CYS 51 8.773 0.686 -0.517 378 H CYS 52 H CYS 52 6.389 3.480 -0.887 379 HA CYS 52 HA CYS 52 8.202 4.229 -3.099 380 HB2 CYS 52 2HB CYS 52 5.893 3.788 -4.069 381 HB3 CYS 52 1HB CYS 52 5.329 5.174 -3.154 382 H GLU 53 H GLU 53 8.328 6.667 -3.237 383 HA GLU 53 HA GLU 53 7.803 7.835 -0.555 384 HB2 GLU 53 2HB GLU 53 10.149 8.587 -2.278 385 HB3 GLU 53 1HB GLU 53 9.854 8.989 -0.582 386 HG2 GLU 53 2HG GLU 53 10.614 6.996 0.159 387 HG3 GLU 53 1HG GLU 53 9.782 6.108 -1.119 388 H SER 54 H SER 54 6.038 8.027 -2.793 389 HA SER 54 HA SER 54 6.062 10.989 -3.090 390 HB2 SER 54 2HB SER 54 4.935 9.735 -5.435 391 HB3 SER 54 1HB SER 54 6.229 10.923 -5.334 392 HG SER 54 HG SER 54 6.340 8.196 -5.621 393 H ASP 55 H ASP 55 3.841 11.826 -3.501 394 HA ASP 55 HA ASP 55 1.907 10.388 -1.916 395 HB2 ASP 55 2HB ASP 55 1.138 12.593 -3.811 396 HB3 ASP 55 1HB ASP 55 0.496 12.216 -2.217 397 H LYS 56 H LYS 56 -0.088 9.478 -2.637 398 HA LYS 56 HA LYS 56 -1.149 7.849 -3.986 399 HB2 LYS 56 2HB LYS 56 -2.141 8.833 -5.934 400 HB3 LYS 56 1HB LYS 56 -1.981 10.131 -4.751 401 HG2 LYS 56 2HG LYS 56 0.027 10.951 -5.832 402 HG3 LYS 56 1HG LYS 56 0.050 9.572 -6.930 403 HD2 LYS 56 2HD LYS 56 -2.243 11.545 -6.792 404 HD3 LYS 56 1HD LYS 56 -0.903 11.696 -7.928 405 HE2 LYS 56 2HE LYS 56 -1.958 10.274 -9.313 406 HE3 LYS 56 1HE LYS 56 -1.811 9.013 -8.089 407 HZ1 LYS 56 3HZ LYS 56 -4.056 9.113 -8.253 408 HZ2 LYS 56 1HZ LYS 56 -4.078 10.745 -8.710 409 HZ3 LYS 56 2HZ LYS 56 -3.843 10.325 -7.082 410 H CYS 57 H CYS 57 1.823 7.733 -3.999 411 HA CYS 57 HA CYS 57 2.583 7.141 -6.760 412 HB2 CYS 57 2HB CYS 57 4.251 8.008 -5.183 413 HB3 CYS 57 1HB CYS 57 4.026 6.594 -4.152 414 H ASN 58 H ASN 58 1.245 5.316 -4.094 415 HA ASN 58 HA ASN 58 2.050 2.785 -5.327 416 HB2 ASN 58 2HB ASN 58 0.664 1.857 -3.354 417 HB3 ASN 58 1HB ASN 58 2.190 2.653 -2.983 418 HD21 ASN 58 1HD2 ASN 58 0.475 2.621 -0.872 419 HD22 ASN 58 2HD2 ASN 58 -0.310 4.116 -0.663 420 H LEU 59 H LEU 59 0.430 4.246 -7.031 421 HA LEU 59 HA LEU 59 -2.355 3.413 -6.701 422 HB2 LEU 59 2HB LEU 59 -1.729 5.527 -7.870 423 HB3 LEU 59 1HB LEU 59 -0.948 4.574 -9.128 424 HG LEU 59 HG LEU 59 -3.388 5.373 -9.535 425 HD11 LEU 59 1HD1 LEU 59 -3.213 3.853 -11.179 426 HD12 LEU 59 2HD1 LEU 59 -3.605 2.559 -10.047 427 HD13 LEU 59 3HD1 LEU 59 -1.927 3.048 -10.280 428 HD21 LEU 59 3HD2 LEU 59 -5.130 4.292 -8.446 429 HD22 LEU 59 1HD2 LEU 59 -3.944 4.351 -7.142 430 HD23 LEU 59 2HD2 LEU 59 -4.155 2.869 -8.076 Start of MODEL 2 1 H1 ARG 1 1HT ARG 1 3.269 12.613 4.025 2 H2 ARG 1 2HT ARG 1 1.657 13.103 4.236 3 H3 ARG 1 3HT ARG 1 2.856 14.250 3.874 4 HA ARG 1 HA ARG 1 2.303 14.036 1.757 5 HB2 ARG 1 2HB ARG 1 4.184 12.091 2.383 6 HB3 ARG 1 1HB ARG 1 2.968 11.201 1.468 7 HG2 ARG 1 2HG ARG 1 3.154 13.418 -0.067 8 HG3 ARG 1 1HG ARG 1 4.790 13.373 0.585 9 HD2 ARG 1 2HD ARG 1 4.722 10.843 -0.082 10 HD3 ARG 1 1HD ARG 1 3.389 11.315 -1.124 11 HE ARG 1 HE ARG 1 5.253 11.789 -2.526 12 HH11 ARG 1 1HH2 ARG 1 4.728 14.565 -1.297 13 HH12 ARG 1 2HH2 ARG 1 6.347 15.061 -0.938 14 HH21 ARG 1 1HH1 ARG 1 7.680 11.878 -1.287 15 HH22 ARG 1 2HH1 ARG 1 8.020 13.539 -0.932 16 H ILE 2 H ILE 2 1.154 12.274 0.084 17 HA ILE 2 HA ILE 2 -1.266 11.285 1.555 18 HB ILE 2 HB ILE 2 -1.028 12.712 -1.095 19 HG12 ILE 2 2HG1 ILE 2 -3.142 13.775 0.057 20 HG13 ILE 2 1HG1 ILE 2 -2.459 13.045 1.509 21 HG21 ILE 2 1HG2 ILE 2 -2.401 10.912 -1.755 22 HG22 ILE 2 2HG2 ILE 2 -3.572 12.117 -1.218 23 HG23 ILE 2 3HG2 ILE 2 -3.142 10.772 -0.162 24 HD11 ILE 2 3HD1 ILE 2 -1.764 15.513 0.665 25 HD12 ILE 2 1HD1 ILE 2 -0.570 14.558 -0.216 26 HD13 ILE 2 2HD1 ILE 2 -0.654 14.462 1.544 27 H CYS 3 H CYS 3 -1.364 9.088 1.464 28 HA CYS 3 HA CYS 3 -0.393 7.857 -1.082 29 HB2 CYS 3 2HB CYS 3 -0.050 6.808 1.735 30 HB3 CYS 3 1HB CYS 3 0.278 5.853 0.295 31 H TYR 4 H TYR 4 -1.390 5.558 -1.423 32 HA TYR 4 HA TYR 4 -4.282 5.871 -1.132 33 HB2 TYR 4 2HB TYR 4 -2.525 3.763 -2.357 34 HB3 TYR 4 1HB TYR 4 -4.246 3.482 -2.146 35 HD1 TYR 4 2HD TYR 4 -5.689 5.726 -2.807 36 HD2 TYR 4 1HD TYR 4 -1.910 4.537 -4.462 37 HE1 TYR 4 2HE TYR 4 -6.165 7.050 -4.847 38 HE2 TYR 4 1HE TYR 4 -2.388 5.862 -6.499 39 HH TYR 4 HH TYR 4 -5.455 7.046 -7.244 40 H ASN 5 H ASN 5 -5.649 4.615 0.170 41 HA ASN 5 HA ASN 5 -4.243 3.137 2.347 42 HB2 ASN 5 2HB ASN 5 -5.217 4.924 3.435 43 HB3 ASN 5 1HB ASN 5 -6.560 5.024 2.305 44 HD21 ASN 5 1HD2 ASN 5 -5.409 2.152 4.103 45 HD22 ASN 5 2HD2 ASN 5 -6.866 1.893 4.920 46 H HIS 6 H HIS 6 -6.936 2.917 0.041 47 HA HIS 6 HA HIS 6 -8.204 0.738 1.376 48 HB2 HIS 6 2HB HIS 6 -8.983 2.201 -0.720 49 HB3 HIS 6 1HB HIS 6 -8.494 0.733 -1.549 50 HD1 HIS 6 1HD HIS 6 -10.550 1.623 1.544 51 HD2 HIS 6 2HD HIS 6 -10.491 -1.140 -1.582 52 HE1 HIS 6 1HE HIS 6 -12.604 0.168 1.835 53 H LEU 7 H LEU 7 -8.571 -1.385 0.159 54 HA LEU 7 HA LEU 7 -5.878 -2.548 -0.282 55 HB2 LEU 7 2HB LEU 7 -7.302 -4.758 0.179 56 HB3 LEU 7 1HB LEU 7 -6.604 -3.805 1.480 57 HG LEU 7 HG LEU 7 -9.012 -4.457 1.827 58 HD11 LEU 7 1HD1 LEU 7 -7.739 -1.918 2.198 59 HD12 LEU 7 2HD1 LEU 7 -8.953 -2.699 3.210 60 HD13 LEU 7 3HD1 LEU 7 -9.454 -1.654 1.881 61 HD21 LEU 7 3HD2 LEU 7 -10.123 -4.311 -0.201 62 HD22 LEU 7 1HD2 LEU 7 -9.284 -2.840 -0.683 63 HD23 LEU 7 2HD2 LEU 7 -10.572 -2.763 0.514 64 H GLY 8 H GLY 8 -6.238 -4.826 -1.466 65 HA2 GLY 8 2HA GLY 8 -6.556 -5.861 -3.532 66 HA3 GLY 8 1HA GLY 8 -8.117 -5.048 -3.571 67 H THR 9 H THR 9 -7.218 -5.203 -5.969 68 HA THR 9 HA THR 9 -5.314 -3.103 -6.688 69 HB THR 9 HB THR 9 -7.125 -4.548 -8.616 70 HG1 THR 9 1HG THR 9 -5.252 -6.056 -8.640 71 HG21 THR 9 3HG2 THR 9 -5.732 -3.694 -10.170 72 HG22 THR 9 1HG2 THR 9 -4.305 -4.196 -9.264 73 HG23 THR 9 2HG2 THR 9 -5.092 -2.662 -8.891 74 H LYS 10 H LYS 10 -8.772 -3.395 -6.361 75 HA LYS 10 HA LYS 10 -9.771 -1.460 -8.094 76 HB2 LYS 10 2HB LYS 10 -11.229 -0.827 -5.929 77 HB3 LYS 10 1HB LYS 10 -11.471 -2.342 -6.796 78 HG2 LYS 10 2HG LYS 10 -10.241 -3.583 -5.201 79 HG3 LYS 10 1HG LYS 10 -9.498 -2.134 -4.523 80 HD2 LYS 10 2HD LYS 10 -11.612 -1.413 -3.582 81 HD3 LYS 10 1HD LYS 10 -12.466 -2.725 -4.394 82 HE2 LYS 10 2HE LYS 10 -10.208 -3.628 -2.741 83 HE3 LYS 10 1HE LYS 10 -11.495 -2.846 -1.823 84 HZ1 LYS 10 3HZ LYS 10 -13.062 -4.324 -3.103 85 HZ2 LYS 10 1HZ LYS 10 -12.081 -5.098 -1.957 86 HZ3 LYS 10 2HZ LYS 10 -11.696 -5.198 -3.609 87 HA PRO 11 HA PRO 11 -8.055 2.397 -6.897 88 HB2 PRO 11 2HB PRO 11 -10.237 4.076 -7.037 89 HB3 PRO 11 1HB PRO 11 -9.384 3.450 -8.459 90 HG2 PRO 11 2HG PRO 11 -12.019 2.617 -7.327 91 HG3 PRO 11 1HG PRO 11 -11.447 2.553 -9.002 92 HD2 PRO 11 2HD PRO 11 -11.586 0.358 -7.257 93 HD3 PRO 11 1HD PRO 11 -10.632 0.417 -8.754 94 HA PRO 12 HA PRO 12 -9.177 2.179 -2.552 95 HB2 PRO 12 2HB PRO 12 -6.732 3.085 -1.656 96 HB3 PRO 12 1HB PRO 12 -7.039 1.402 -2.095 97 HG2 PRO 12 2HG PRO 12 -5.540 3.478 -3.551 98 HG3 PRO 12 1HG PRO 12 -5.382 1.721 -3.642 99 HD2 PRO 12 2HD PRO 12 -6.699 3.369 -5.539 100 HD3 PRO 12 1HD PRO 12 -6.797 1.597 -5.442 101 H THR 13 H THR 13 -8.517 3.937 -0.656 102 HA THR 13 HA THR 13 -9.312 6.589 -1.791 103 HB THR 13 HB THR 13 -10.200 7.048 0.505 104 HG1 THR 13 1HG THR 13 -8.875 5.550 1.600 105 HG21 THR 13 3HG2 THR 13 -12.070 6.373 -0.561 106 HG22 THR 13 1HG2 THR 13 -11.828 4.807 0.214 107 HG23 THR 13 2HG2 THR 13 -11.206 5.093 -1.412 108 H THR 14 H THR 14 -7.591 7.953 -1.836 109 HA THR 14 HA THR 14 -5.096 7.475 -0.691 110 HB THR 14 HB THR 14 -4.933 10.098 -0.697 111 HG1 THR 14 1HG THR 14 -6.816 10.937 -1.080 112 HG21 THR 14 3HG2 THR 14 -5.087 9.787 -3.372 113 HG22 THR 14 1HG2 THR 14 -5.068 8.094 -2.876 114 HG23 THR 14 2HG2 THR 14 -3.748 9.166 -2.406 115 H GLU 15 H GLU 15 -4.069 8.145 1.160 116 HA GLU 15 HA GLU 15 -5.697 9.293 3.357 117 HB2 GLU 15 2HB GLU 15 -5.055 7.593 4.913 118 HB3 GLU 15 1HB GLU 15 -5.614 6.729 3.482 119 HG2 GLU 15 2HG GLU 15 -3.609 5.623 3.876 120 HG3 GLU 15 1HG GLU 15 -3.060 6.898 2.784 121 H THR 16 H THR 16 -4.519 10.880 4.346 122 HA THR 16 HA THR 16 -1.862 11.441 3.349 123 HB THR 16 HB THR 16 -2.265 12.989 5.671 124 HG1 THR 16 1HG THR 16 -4.331 12.583 5.969 125 HG21 THR 16 3HG2 THR 16 -1.577 13.511 3.182 126 HG22 THR 16 1HG2 THR 16 -2.330 14.763 4.170 127 HG23 THR 16 2HG2 THR 16 -3.295 13.868 2.996 128 H CYS 17 H CYS 17 0.058 10.923 4.205 129 HA CYS 17 HA CYS 17 0.228 9.941 7.007 130 HB2 CYS 17 2HB CYS 17 0.574 8.358 4.572 131 HB3 CYS 17 1HB CYS 17 2.009 8.333 5.593 132 H GLN 18 H GLN 18 2.292 10.437 7.935 133 HA GLN 18 HA GLN 18 3.692 12.627 6.759 134 HB2 GLN 18 2HB GLN 18 3.823 12.084 9.173 135 HB3 GLN 18 1HB GLN 18 4.776 10.659 8.781 136 HG2 GLN 18 2HG GLN 18 6.182 12.673 9.368 137 HG3 GLN 18 1HG GLN 18 6.516 11.996 7.780 138 HE21 GLN 18 1HE2 GLN 18 5.571 13.143 5.871 139 HE22 GLN 18 2HE2 GLN 18 5.154 14.784 5.977 140 H GLU 19 H GLU 19 4.268 9.165 6.730 141 HA GLU 19 HA GLU 19 6.848 9.345 5.484 142 HB2 GLU 19 2HB GLU 19 5.365 6.983 4.612 143 HB3 GLU 19 1HB GLU 19 6.857 7.083 5.538 144 HG2 GLU 19 2HG GLU 19 4.044 7.343 6.641 145 HG3 GLU 19 1HG GLU 19 5.149 5.993 6.894 146 H ASP 20 H ASP 20 7.261 10.063 3.500 147 HA ASP 20 HA ASP 20 5.114 10.668 1.658 148 HB2 ASP 20 2HB ASP 20 7.494 10.703 0.151 149 HB3 ASP 20 1HB ASP 20 6.664 12.089 0.845 150 H SER 21 H SER 21 6.870 7.889 2.380 151 HA SER 21 HA SER 21 6.732 6.698 -0.272 152 HB2 SER 21 2HB SER 21 6.960 4.799 1.908 153 HB3 SER 21 1HB SER 21 8.121 5.169 0.637 154 HG SER 21 HG SER 21 8.103 5.930 3.216 155 H CYS 22 H CYS 22 5.182 5.120 -0.915 156 HA CYS 22 HA CYS 22 2.859 4.782 0.932 157 HB2 CYS 22 2HB CYS 22 2.622 4.733 -2.072 158 HB3 CYS 22 1HB CYS 22 1.346 4.937 -0.885 159 H TYR 23 H TYR 23 2.597 2.625 1.400 160 HA TYR 23 HA TYR 23 4.051 0.776 -0.403 161 HB2 TYR 23 2HB TYR 23 4.507 -0.650 1.385 162 HB3 TYR 23 1HB TYR 23 4.709 0.948 2.066 163 HD1 TYR 23 2HD TYR 23 2.249 1.943 2.970 164 HD2 TYR 23 1HD TYR 23 3.461 -2.168 2.737 165 HE1 TYR 23 2HE TYR 23 0.606 1.359 4.723 166 HE2 TYR 23 1HE TYR 23 1.815 -2.748 4.498 167 HH TYR 23 HH TYR 23 0.147 -2.013 5.767 168 H LYS 24 H LYS 24 3.051 -0.624 -1.529 169 HA LYS 24 HA LYS 24 0.268 -1.404 -0.765 170 HB2 LYS 24 2HB LYS 24 -0.173 -0.058 -2.581 171 HB3 LYS 24 1HB LYS 24 1.345 -0.426 -3.373 172 HG2 LYS 24 2HG LYS 24 0.216 -2.874 -3.468 173 HG3 LYS 24 1HG LYS 24 -1.242 -1.880 -3.448 174 HD2 LYS 24 2HD LYS 24 0.840 -0.833 -5.214 175 HD3 LYS 24 1HD LYS 24 0.273 -2.434 -5.687 176 HE2 LYS 24 2HE LYS 24 -2.065 -1.103 -5.027 177 HE3 LYS 24 1HE LYS 24 -1.102 0.146 -5.816 178 HZ1 LYS 24 3HZ LYS 24 -0.693 -1.482 -7.632 179 HZ2 LYS 24 1HZ LYS 24 -2.313 -1.003 -7.489 180 HZ3 LYS 24 2HZ LYS 24 -1.823 -2.519 -6.903 181 H ASN 25 H ASN 25 0.404 -3.446 -0.154 182 HA ASN 25 HA ASN 25 2.212 -5.315 -1.642 183 HB2 ASN 25 2HB ASN 25 1.987 -6.514 0.767 184 HB3 ASN 25 1HB ASN 25 3.224 -5.312 0.451 185 HD21 ASN 25 1HD2 ASN 25 2.256 -2.908 0.778 186 HD22 ASN 25 2HD2 ASN 25 1.316 -2.704 2.168 187 H ILE 26 H ILE 26 1.499 -7.681 -1.137 188 HA ILE 26 HA ILE 26 -1.466 -7.813 -1.458 189 HB ILE 26 HB ILE 26 -1.151 -9.766 -2.833 190 HG12 ILE 26 2HG1 ILE 26 1.440 -10.297 -3.264 191 HG13 ILE 26 1HG1 ILE 26 1.575 -9.673 -1.619 192 HG21 ILE 26 1HG2 ILE 26 1.131 -8.224 -3.905 193 HG22 ILE 26 2HG2 ILE 26 -0.317 -7.274 -3.572 194 HG23 ILE 26 3HG2 ILE 26 -0.400 -8.651 -4.671 195 HD11 ILE 26 3HD1 ILE 26 0.881 -12.268 -2.303 196 HD12 ILE 26 1HD1 ILE 26 -0.674 -11.517 -1.945 197 HD13 ILE 26 2HD1 ILE 26 0.607 -11.511 -0.733 198 H TRP 27 H TRP 27 1.037 -8.454 0.661 199 HA TRP 27 HA TRP 27 -0.221 -10.893 1.797 200 HB2 TRP 27 2HB TRP 27 2.058 -9.747 3.245 201 HB3 TRP 27 1HB TRP 27 1.820 -11.391 2.658 202 HD1 TRP 27 HD TRP 27 3.294 -8.031 1.681 203 HE1 TRP 27 1HE TRP 27 4.710 -8.315 -0.453 204 HE3 TRP 27 3HE TRP 27 2.083 -12.840 0.455 205 HZ2 TRP 27 2HZ TRP 27 5.257 -10.320 -2.422 206 HZ3 TRP 27 3HZ TRP 27 3.066 -13.910 -1.554 207 HH2 TRP 27 HH TRP 27 4.650 -12.657 -2.993 208 H THR 28 H THR 28 -1.778 -10.572 3.305 209 HA THR 28 HA THR 28 -1.300 -8.711 5.502 210 HB THR 28 HB THR 28 -2.207 -7.089 4.018 211 HG1 THR 28 1HG THR 28 -4.264 -6.696 4.989 212 HG21 THR 28 3HG2 THR 28 -4.737 -8.446 3.399 213 HG22 THR 28 1HG2 THR 28 -3.319 -9.224 2.697 214 HG23 THR 28 2HG2 THR 28 -3.661 -7.530 2.343 215 H PHE 29 H PHE 29 -4.065 -10.397 3.944 216 HA PHE 29 HA PHE 29 -4.590 -11.681 6.593 217 HB2 PHE 29 2HB PHE 29 -6.521 -11.167 4.306 218 HB3 PHE 29 1HB PHE 29 -6.928 -11.907 5.854 219 HD1 PHE 29 2HD PHE 29 -6.378 -10.522 7.995 220 HD2 PHE 29 1HD PHE 29 -6.652 -8.838 4.051 221 HE1 PHE 29 2HE PHE 29 -6.733 -8.272 8.978 222 HE2 PHE 29 1HE PHE 29 -7.006 -6.591 5.035 223 HZ PHE 29 HZ PHE 29 -7.047 -6.307 7.499 224 H ASP 30 H ASP 30 -5.508 -12.390 3.224 225 HA ASP 30 HA ASP 30 -4.151 -15.034 3.474 226 HB2 ASP 30 2HB ASP 30 -6.768 -14.843 2.024 227 HB3 ASP 30 1HB ASP 30 -6.036 -16.230 2.829 228 H ASN 31 H ASN 31 -6.076 -13.218 1.047 229 HA ASN 31 HA ASN 31 -3.699 -13.056 -0.695 230 HB2 ASN 31 2HB ASN 31 -5.290 -15.246 -1.007 231 HB3 ASN 31 1HB ASN 31 -6.087 -14.108 -2.095 232 HD21 ASN 31 1HD2 ASN 31 -4.142 -12.701 -3.312 233 HD22 ASN 31 2HD2 ASN 31 -2.998 -13.702 -4.069 234 H ILE 32 H ILE 32 -4.135 -10.765 -0.182 235 HA ILE 32 HA ILE 32 -6.107 -9.621 -2.081 236 HB ILE 32 HB ILE 32 -6.555 -7.907 -0.089 237 HG12 ILE 32 2HG1 ILE 32 -4.919 -9.255 1.349 238 HG13 ILE 32 1HG1 ILE 32 -6.472 -8.859 2.079 239 HG21 ILE 32 1HG2 ILE 32 -8.226 -9.326 -1.303 240 HG22 ILE 32 2HG2 ILE 32 -8.596 -9.114 0.408 241 HG23 ILE 32 3HG2 ILE 32 -7.887 -10.625 -0.160 242 HD11 ILE 32 3HD1 ILE 32 -6.852 -11.052 2.419 243 HD12 ILE 32 1HD1 ILE 32 -5.326 -11.450 1.632 244 HD13 ILE 32 2HD1 ILE 32 -6.801 -11.322 0.678 245 H ILE 33 H ILE 33 -5.733 -6.923 -1.347 246 HA ILE 33 HA ILE 33 -2.787 -6.519 -1.459 247 HB ILE 33 HB ILE 33 -4.611 -4.904 -3.217 248 HG12 ILE 33 2HG1 ILE 33 -4.921 -7.396 -3.628 249 HG13 ILE 33 1HG1 ILE 33 -4.357 -6.468 -5.017 250 HG21 ILE 33 1HG2 ILE 33 -2.494 -3.948 -3.227 251 HG22 ILE 33 2HG2 ILE 33 -2.334 -5.085 -4.565 252 HG23 ILE 33 3HG2 ILE 33 -1.682 -5.493 -2.979 253 HD11 ILE 33 3HD1 ILE 33 -2.206 -7.497 -3.280 254 HD12 ILE 33 1HD1 ILE 33 -2.330 -7.499 -5.040 255 HD13 ILE 33 2HD1 ILE 33 -3.147 -8.745 -4.098 256 H ARG 34 H ARG 34 -2.138 -4.382 -0.652 257 HA ARG 34 HA ARG 34 -4.344 -2.733 0.398 258 HB2 ARG 34 2HB ARG 34 -3.405 -4.510 2.121 259 HB3 ARG 34 1HB ARG 34 -2.190 -3.246 2.357 260 HG2 ARG 34 2HG ARG 34 -3.724 -1.725 3.168 261 HG3 ARG 34 1HG ARG 34 -5.034 -2.389 2.209 262 HD2 ARG 34 2HD ARG 34 -5.728 -3.298 4.175 263 HD3 ARG 34 1HD ARG 34 -4.474 -4.497 3.861 264 HE ARG 34 HE ARG 34 -3.677 -2.066 5.355 265 HH11 ARG 34 1HH2 ARG 34 -2.029 -4.574 5.235 266 HH12 ARG 34 2HH2 ARG 34 -2.374 -5.304 6.767 267 HH21 ARG 34 1HH1 ARG 34 -5.185 -3.359 7.357 268 HH22 ARG 34 2HH1 ARG 34 -4.163 -4.616 7.969 269 H ARG 35 H ARG 35 -3.948 -0.799 -0.348 270 HA ARG 35 HA ARG 35 -1.198 0.176 -0.731 271 HB2 ARG 35 2HB ARG 35 -3.797 1.637 -1.197 272 HB3 ARG 35 1HB ARG 35 -2.221 2.062 -1.829 273 HG2 ARG 35 2HG ARG 35 -3.071 0.949 -3.665 274 HG3 ARG 35 1HG ARG 35 -2.346 -0.412 -2.809 275 HD2 ARG 35 2HD ARG 35 -4.370 -1.292 -2.207 276 HD3 ARG 35 1HD ARG 35 -5.110 0.296 -2.004 277 HE ARG 35 HE ARG 35 -6.086 -0.351 -4.079 278 HH11 ARG 35 1HH2 ARG 35 -4.422 -2.634 -4.866 279 HH12 ARG 35 2HH2 ARG 35 -3.520 -2.022 -6.211 280 HH21 ARG 35 1HH1 ARG 35 -4.138 1.302 -5.448 281 HH22 ARG 35 2HH1 ARG 35 -3.359 0.208 -6.540 282 H GLY 36 H GLY 36 -0.209 1.126 0.970 283 HA2 GLY 36 2HA GLY 36 -1.884 2.730 2.849 284 HA3 GLY 36 1HA GLY 36 -0.671 1.615 3.454 285 H CYS 37 H CYS 37 0.474 3.370 4.437 286 HA CYS 37 HA CYS 37 1.973 5.055 2.485 287 HB2 CYS 37 2HB CYS 37 2.056 6.719 4.459 288 HB3 CYS 37 1HB CYS 37 0.541 6.584 3.566 289 H GLY 38 H GLY 38 4.157 4.730 2.628 290 HA2 GLY 38 2HA GLY 38 6.246 4.380 3.714 291 HA3 GLY 38 1HA GLY 38 5.382 4.130 5.235 292 H CYS 39 H CYS 39 7.432 2.417 3.772 293 HA CYS 39 HA CYS 39 6.097 0.124 2.711 294 HB2 CYS 39 2HB CYS 39 8.757 0.283 4.104 295 HB3 CYS 39 1HB CYS 39 8.188 -1.104 3.196 296 H PHE 40 H PHE 40 5.682 -1.892 3.698 297 HA PHE 40 HA PHE 40 4.396 -1.671 6.248 298 HB2 PHE 40 2HB PHE 40 4.375 -4.254 6.066 299 HB3 PHE 40 1HB PHE 40 3.521 -3.332 4.848 300 HD1 PHE 40 2HD PHE 40 7.144 -3.182 4.716 301 HD2 PHE 40 1HD PHE 40 3.689 -5.341 3.367 302 HE1 PHE 40 2HE PHE 40 8.505 -4.245 2.953 303 HE2 PHE 40 1HE PHE 40 5.055 -6.407 1.595 304 HZ PHE 40 HZ PHE 40 7.467 -5.864 1.392 305 H THR 41 H THR 41 4.976 -3.404 8.047 306 HA THR 41 HA THR 41 7.603 -2.638 8.998 307 HB THR 41 HB THR 41 5.680 -4.597 10.258 308 HG1 THR 41 1HG THR 41 4.635 -2.916 10.995 309 HG21 THR 41 3HG2 THR 41 7.465 -4.847 11.631 310 HG22 THR 41 1HG2 THR 41 7.012 -3.257 12.241 311 HG23 THR 41 2HG2 THR 41 8.264 -3.404 11.007 312 HA PRO 42 HA PRO 42 8.614 -7.248 8.547 313 HB2 PRO 42 2HB PRO 42 6.872 -8.827 7.124 314 HB3 PRO 42 1HB PRO 42 6.743 -8.555 8.870 315 HG2 PRO 42 2HG PRO 42 5.036 -7.492 6.692 316 HG3 PRO 42 1HG PRO 42 4.676 -7.653 8.418 317 HD2 PRO 42 2HD PRO 42 5.457 -5.280 7.014 318 HD3 PRO 42 1HD PRO 42 5.178 -5.439 8.756 319 H ARG 43 H ARG 43 9.194 -5.161 6.726 320 HA ARG 43 HA ARG 43 8.940 -5.940 3.985 321 HB2 ARG 43 2HB ARG 43 9.505 -3.674 4.420 322 HB3 ARG 43 1HB ARG 43 10.874 -4.120 5.428 323 HG2 ARG 43 2HG ARG 43 12.108 -4.923 3.525 324 HG3 ARG 43 1HG ARG 43 10.693 -4.783 2.480 325 HD2 ARG 43 2HD ARG 43 11.977 -2.849 1.997 326 HD3 ARG 43 1HD ARG 43 10.708 -2.282 3.083 327 HE ARG 43 HE ARG 43 12.514 -2.617 4.924 328 HH11 ARG 43 1HH2 ARG 43 12.693 -0.937 2.008 329 HH12 ARG 43 2HH2 ARG 43 14.371 -0.530 2.148 330 HH21 ARG 43 1HH1 ARG 43 14.882 -2.494 4.962 331 HH22 ARG 43 2HH1 ARG 43 15.611 -1.413 3.821 332 H GLY 44 H GLY 44 10.762 -6.631 2.585 333 HA2 GLY 44 2HA GLY 44 13.192 -7.680 3.446 334 HA3 GLY 44 1HA GLY 44 12.019 -8.982 3.640 335 H ASP 45 H ASP 45 13.522 -9.950 1.914 336 HA ASP 45 HA ASP 45 13.151 -8.854 -0.797 337 HB2 ASP 45 2HB ASP 45 14.752 -11.089 0.411 338 HB3 ASP 45 1HB ASP 45 14.449 -11.081 -1.327 339 H MET 46 H MET 46 11.310 -10.728 1.232 340 HA MET 46 HA MET 46 10.388 -12.687 -0.728 341 HB2 MET 46 2HB MET 46 10.325 -12.629 1.993 342 HB3 MET 46 1HB MET 46 8.677 -12.131 1.612 343 HG2 MET 46 2HG MET 46 8.799 -14.575 1.795 344 HG3 MET 46 1HG MET 46 8.430 -14.103 0.136 345 HE1 MET 46 3HE MET 46 9.999 -16.032 -1.715 346 HE2 MET 46 1HE MET 46 8.735 -16.151 -0.483 347 HE3 MET 46 2HE MET 46 10.150 -17.197 -0.401 348 HA PRO 47 HA PRO 47 6.603 -9.786 -0.788 349 HB2 PRO 47 2HB PRO 47 6.828 -7.387 0.525 350 HB3 PRO 47 1HB PRO 47 6.220 -8.869 1.279 351 HG2 PRO 47 2HG PRO 47 8.836 -7.514 1.666 352 HG3 PRO 47 1HG PRO 47 7.984 -8.633 2.744 353 HD2 PRO 47 2HD PRO 47 10.187 -9.252 1.040 354 HD3 PRO 47 1HD PRO 47 9.208 -10.410 1.961 355 H GLY 48 H GLY 48 6.052 -8.104 -2.261 356 HA2 GLY 48 2HA GLY 48 8.197 -6.352 -3.249 357 HA3 GLY 48 1HA GLY 48 7.479 -7.468 -4.408 358 HA PRO 49 HA PRO 49 3.869 -4.624 -2.988 359 HB2 PRO 49 2HB PRO 49 4.498 -2.659 -1.171 360 HB3 PRO 49 1HB PRO 49 3.937 -4.269 -0.718 361 HG2 PRO 49 2HG PRO 49 6.697 -3.148 -0.617 362 HG3 PRO 49 1HG PRO 49 5.938 -4.365 0.413 363 HD2 PRO 49 2HD PRO 49 7.735 -4.936 -1.655 364 HD3 PRO 49 1HD PRO 49 6.602 -6.104 -0.942 365 H TYR 50 H TYR 50 3.520 -2.021 -2.879 366 HA TYR 50 HA TYR 50 5.319 -0.916 -4.982 367 HB2 TYR 50 2HB TYR 50 2.636 -1.216 -5.139 368 HB3 TYR 50 1HB TYR 50 2.706 0.380 -4.392 369 HD1 TYR 50 2HD TYR 50 5.519 0.989 -5.691 370 HD2 TYR 50 1HD TYR 50 1.735 -0.321 -7.247 371 HE1 TYR 50 2HE TYR 50 6.076 1.991 -7.890 372 HE2 TYR 50 1HE TYR 50 2.293 0.679 -9.446 373 HH TYR 50 HH TYR 50 4.492 1.259 -10.694 374 H CYS 51 H CYS 51 6.759 -0.427 -3.075 375 HA CYS 51 HA CYS 51 5.881 1.656 -1.181 376 HB2 CYS 51 2HB CYS 51 8.396 0.122 -1.715 377 HB3 CYS 51 1HB CYS 51 8.523 1.688 -0.912 378 H CYS 52 H CYS 52 5.589 3.676 -2.101 379 HA CYS 52 HA CYS 52 7.807 4.683 -3.833 380 HB2 CYS 52 2HB CYS 52 5.816 5.984 -5.023 381 HB3 CYS 52 1HB CYS 52 6.338 4.403 -5.566 382 H GLU 53 H GLU 53 8.309 6.807 -3.578 383 HA GLU 53 HA GLU 53 7.130 8.143 -1.247 384 HB2 GLU 53 2HB GLU 53 9.180 9.462 -2.966 385 HB3 GLU 53 1HB GLU 53 8.993 9.484 -1.211 386 HG2 GLU 53 2HG GLU 53 10.636 7.938 -1.146 387 HG3 GLU 53 1HG GLU 53 9.443 6.802 -1.773 388 H SER 54 H SER 54 5.742 7.776 -3.981 389 HA SER 54 HA SER 54 5.282 10.648 -4.616 390 HB2 SER 54 2HB SER 54 3.770 9.201 -6.407 391 HB3 SER 54 1HB SER 54 5.403 9.785 -6.709 392 HG SER 54 HG SER 54 5.492 7.627 -7.062 393 H ASP 55 H ASP 55 3.192 11.533 -4.419 394 HA ASP 55 HA ASP 55 1.558 10.365 -2.366 395 HB2 ASP 55 2HB ASP 55 0.529 12.444 -4.280 396 HB3 ASP 55 1HB ASP 55 0.200 12.263 -2.558 397 H LYS 56 H LYS 56 -0.501 9.408 -2.552 398 HA LYS 56 HA LYS 56 -1.824 7.701 -3.519 399 HB2 LYS 56 2HB LYS 56 -3.288 8.586 -5.231 400 HB3 LYS 56 1HB LYS 56 -2.939 9.884 -4.091 401 HG2 LYS 56 2HG LYS 56 -1.115 9.605 -6.435 402 HG3 LYS 56 1HG LYS 56 -2.732 10.234 -6.738 403 HD2 LYS 56 2HD LYS 56 -1.752 11.507 -4.385 404 HD3 LYS 56 1HD LYS 56 -0.487 11.607 -5.611 405 HE2 LYS 56 2HE LYS 56 -2.132 12.504 -7.228 406 HE3 LYS 56 1HE LYS 56 -3.382 12.428 -5.988 407 HZ1 LYS 56 3HZ LYS 56 -1.946 13.900 -4.620 408 HZ2 LYS 56 1HZ LYS 56 -2.533 14.629 -6.034 409 HZ3 LYS 56 2HZ LYS 56 -0.925 14.087 -5.965 410 H CYS 57 H CYS 57 0.878 7.206 -4.127 411 HA CYS 57 HA CYS 57 1.005 6.732 -7.040 412 HB2 CYS 57 2HB CYS 57 3.302 5.922 -6.537 413 HB3 CYS 57 1HB CYS 57 3.009 7.554 -5.933 414 H ASN 58 H ASN 58 0.567 4.788 -4.070 415 HA ASN 58 HA ASN 58 1.104 2.297 -5.379 416 HB2 ASN 58 2HB ASN 58 -0.522 1.471 -3.419 417 HB3 ASN 58 1HB ASN 58 1.162 1.883 -3.135 418 HD21 ASN 58 1HD2 ASN 58 0.088 2.205 -0.840 419 HD22 ASN 58 2HD2 ASN 58 -0.516 3.764 -0.511 420 H LEU 59 H LEU 59 -0.218 3.061 -7.361 421 HA LEU 59 HA LEU 59 -2.980 1.953 -7.076 422 HB2 LEU 59 2HB LEU 59 -2.310 4.589 -7.791 423 HB3 LEU 59 1HB LEU 59 -2.726 3.794 -9.305 424 HG LEU 59 HG LEU 59 -4.681 4.851 -8.073 425 HD11 LEU 59 1HD1 LEU 59 -4.504 1.985 -8.925 426 HD12 LEU 59 2HD1 LEU 59 -5.389 3.318 -9.664 427 HD13 LEU 59 3HD1 LEU 59 -6.006 2.554 -8.199 428 HD21 LEU 59 3HD2 LEU 59 -5.042 4.327 -5.908 429 HD22 LEU 59 1HD2 LEU 59 -3.566 3.363 -5.927 430 HD23 LEU 59 2HD2 LEU 59 -5.112 2.615 -6.314 Start of MODEL 3 1 H1 ARG 1 1HT ARG 1 3.901 13.604 4.106 2 H2 ARG 1 2HT ARG 1 3.040 12.161 4.355 3 H3 ARG 1 3HT ARG 1 2.257 13.660 4.517 4 HA ARG 1 HA ARG 1 2.564 14.109 2.170 5 HB2 ARG 1 2HB ARG 1 4.614 12.346 2.325 6 HB3 ARG 1 1HB ARG 1 3.363 11.296 1.658 7 HG2 ARG 1 2HG ARG 1 2.995 13.478 0.107 8 HG3 ARG 1 1HG ARG 1 4.720 13.634 0.438 9 HD2 ARG 1 2HD ARG 1 4.678 11.017 -0.126 10 HD3 ARG 1 1HD ARG 1 3.264 11.488 -1.058 11 HE ARG 1 HE ARG 1 5.371 11.732 -2.427 12 HH11 ARG 1 1HH2 ARG 1 3.648 14.347 -1.479 13 HH12 ARG 1 2HH2 ARG 1 4.926 15.509 -1.620 14 HH21 ARG 1 1HH1 ARG 1 7.410 13.125 -2.012 15 HH22 ARG 1 2HH1 ARG 1 7.053 14.818 -1.923 16 H ILE 2 H ILE 2 1.578 12.060 0.439 17 HA ILE 2 HA ILE 2 -0.771 10.987 1.940 18 HB ILE 2 HB ILE 2 -1.135 12.113 -0.812 19 HG12 ILE 2 2HG1 ILE 2 -1.174 13.649 1.801 20 HG13 ILE 2 1HG1 ILE 2 -0.162 13.950 0.391 21 HG21 ILE 2 1HG2 ILE 2 -2.837 11.373 1.556 22 HG22 ILE 2 2HG2 ILE 2 -3.001 10.885 -0.131 23 HG23 ILE 2 3HG2 ILE 2 -3.447 12.519 0.361 24 HD11 ILE 2 3HD1 ILE 2 -1.804 15.083 -0.683 25 HD12 ILE 2 1HD1 ILE 2 -2.587 15.176 0.893 26 HD13 ILE 2 2HD1 ILE 2 -3.028 13.896 -0.237 27 H CYS 3 H CYS 3 -1.296 8.948 1.364 28 HA CYS 3 HA CYS 3 -0.418 8.020 -1.304 29 HB2 CYS 3 2HB CYS 3 -0.012 6.360 1.207 30 HB3 CYS 3 1HB CYS 3 0.411 5.889 -0.434 31 H TYR 4 H TYR 4 -1.609 5.891 -1.857 32 HA TYR 4 HA TYR 4 -4.395 6.359 -1.115 33 HB2 TYR 4 2HB TYR 4 -3.022 4.536 -3.064 34 HB3 TYR 4 1HB TYR 4 -4.709 4.266 -2.648 35 HD1 TYR 4 1HD TYR 4 -2.760 7.440 -3.027 36 HD2 TYR 4 2HD TYR 4 -5.992 5.002 -4.456 37 HE1 TYR 4 1HE TYR 4 -3.438 9.250 -4.578 38 HE2 TYR 4 2HE TYR 4 -6.670 6.809 -6.008 39 HH TYR 4 HH TYR 4 -4.994 9.046 -7.079 40 H ASN 5 H ASN 5 -5.773 4.774 -0.190 41 HA ASN 5 HA ASN 5 -4.377 2.755 1.504 42 HB2 ASN 5 2HB ASN 5 -5.343 4.485 2.887 43 HB3 ASN 5 1HB ASN 5 -6.870 4.408 2.010 44 HD21 ASN 5 1HD2 ASN 5 -5.217 1.401 2.693 45 HD22 ASN 5 2HD2 ASN 5 -6.294 0.875 3.891 46 H HIS 6 H HIS 6 -5.408 2.373 -1.273 47 HA HIS 6 HA HIS 6 -7.940 1.037 -1.175 48 HB2 HIS 6 2HB HIS 6 -7.666 1.040 -3.386 49 HB3 HIS 6 1HB HIS 6 -6.048 1.691 -3.174 50 HD1 HIS 6 1HD HIS 6 -4.161 -0.316 -2.705 51 HD2 HIS 6 2HD HIS 6 -7.704 -1.425 -4.600 52 HE1 HIS 6 1HE HIS 6 -3.717 -2.553 -3.802 53 H LEU 7 H LEU 7 -8.439 -0.890 -0.325 54 HA LEU 7 HA LEU 7 -6.218 -2.793 0.301 55 HB2 LEU 7 2HB LEU 7 -8.713 -2.024 1.677 56 HB3 LEU 7 1HB LEU 7 -8.408 -3.762 1.636 57 HG LEU 7 HG LEU 7 -6.234 -3.478 2.640 58 HD11 LEU 7 1HD1 LEU 7 -6.778 -0.560 2.103 59 HD12 LEU 7 2HD1 LEU 7 -5.377 -1.520 1.633 60 HD13 LEU 7 3HD1 LEU 7 -5.602 -1.056 3.319 61 HD21 LEU 7 3HD2 LEU 7 -8.020 -1.562 4.145 62 HD22 LEU 7 1HD2 LEU 7 -6.874 -2.732 4.799 63 HD23 LEU 7 2HD2 LEU 7 -8.380 -3.286 4.065 64 H GLY 8 H GLY 8 -6.188 -3.710 -1.854 65 HA2 GLY 8 2HA GLY 8 -7.061 -4.979 -3.673 66 HA3 GLY 8 1HA GLY 8 -7.525 -6.052 -2.355 67 H THR 9 H THR 9 -8.845 -2.834 -2.706 68 HA THR 9 HA THR 9 -11.479 -4.095 -3.327 69 HB THR 9 HB THR 9 -12.013 -1.534 -2.413 70 HG1 THR 9 1HG THR 9 -10.730 -1.291 -0.595 71 HG21 THR 9 3HG2 THR 9 -13.230 -3.558 -1.792 72 HG22 THR 9 1HG2 THR 9 -12.718 -2.708 -0.333 73 HG23 THR 9 2HG2 THR 9 -11.841 -4.140 -0.874 74 H LYS 10 H LYS 10 -12.196 -3.688 -5.322 75 HA LYS 10 HA LYS 10 -11.049 -2.333 -7.366 76 HB2 LYS 10 2HB LYS 10 -13.795 -3.049 -6.749 77 HB3 LYS 10 1HB LYS 10 -13.703 -1.601 -7.752 78 HG2 LYS 10 2HG LYS 10 -11.793 -3.538 -8.695 79 HG3 LYS 10 1HG LYS 10 -13.384 -4.290 -8.584 80 HD2 LYS 10 2HD LYS 10 -14.360 -2.461 -9.904 81 HD3 LYS 10 1HD LYS 10 -12.785 -1.671 -9.992 82 HE2 LYS 10 2HE LYS 10 -11.887 -3.744 -11.103 83 HE3 LYS 10 1HE LYS 10 -13.537 -4.364 -11.159 84 HZ1 LYS 10 3HZ LYS 10 -14.169 -2.360 -12.403 85 HZ2 LYS 10 1HZ LYS 10 -13.013 -3.292 -13.223 86 HZ3 LYS 10 2HZ LYS 10 -12.543 -1.868 -12.422 87 HA PRO 11 HA PRO 11 -12.765 1.926 -6.033 88 HB2 PRO 11 2HB PRO 11 -14.206 2.005 -3.693 89 HB3 PRO 11 1HB PRO 11 -14.948 1.712 -5.276 90 HG2 PRO 11 2HG PRO 11 -14.402 -0.225 -3.071 91 HG3 PRO 11 1HG PRO 11 -15.647 -0.281 -4.331 92 HD2 PRO 11 2HD PRO 11 -13.230 -1.758 -4.331 93 HD3 PRO 11 1HD PRO 11 -14.315 -1.537 -5.712 94 HA PRO 12 HA PRO 12 -9.320 1.741 -3.084 95 HB2 PRO 12 2HB PRO 12 -7.899 3.768 -4.258 96 HB3 PRO 12 1HB PRO 12 -7.885 2.103 -4.862 97 HG2 PRO 12 2HG PRO 12 -9.226 4.493 -6.001 98 HG3 PRO 12 1HG PRO 12 -8.702 3.012 -6.816 99 HD2 PRO 12 2HD PRO 12 -11.362 3.669 -6.015 100 HD3 PRO 12 1HD PRO 12 -10.796 2.109 -6.642 101 H THR 13 H THR 13 -8.845 3.030 -1.268 102 HA THR 13 HA THR 13 -10.182 5.711 -1.179 103 HB THR 13 HB THR 13 -11.326 5.000 0.630 104 HG1 THR 13 1HG THR 13 -10.242 5.114 2.462 105 HG21 THR 13 3HG2 THR 13 -11.288 2.717 -0.092 106 HG22 THR 13 1HG2 THR 13 -10.874 2.697 1.622 107 HG23 THR 13 2HG2 THR 13 -9.608 2.521 0.408 108 H THR 14 H THR 14 -8.772 7.379 -0.618 109 HA THR 14 HA THR 14 -5.969 6.556 -0.260 110 HB THR 14 HB THR 14 -5.453 8.971 -0.540 111 HG1 THR 14 1HG THR 14 -7.029 10.381 -0.647 112 HG21 THR 14 3HG2 THR 14 -7.183 8.512 -2.845 113 HG22 THR 14 1HG2 THR 14 -6.224 7.096 -2.411 114 HG23 THR 14 2HG2 THR 14 -5.427 8.630 -2.755 115 H GLU 15 H GLU 15 -4.653 7.916 1.231 116 HA GLU 15 HA GLU 15 -6.031 8.786 3.691 117 HB2 GLU 15 2HB GLU 15 -4.197 6.390 3.514 118 HB3 GLU 15 1HB GLU 15 -4.322 7.322 5.006 119 HG2 GLU 15 2HG GLU 15 -6.564 5.886 3.556 120 HG3 GLU 15 1HG GLU 15 -5.907 5.504 5.146 121 H THR 16 H THR 16 -4.283 9.728 5.223 122 HA THR 16 HA THR 16 -2.017 10.768 3.566 123 HB THR 16 HB THR 16 -2.886 12.545 5.731 124 HG1 THR 16 1HG THR 16 -4.641 12.540 3.581 125 HG21 THR 16 3HG2 THR 16 -2.074 14.074 4.284 126 HG22 THR 16 1HG2 THR 16 -3.084 13.477 2.968 127 HG23 THR 16 2HG2 THR 16 -1.541 12.698 3.318 128 H CYS 17 H CYS 17 -0.020 10.799 4.587 129 HA CYS 17 HA CYS 17 0.062 10.193 7.497 130 HB2 CYS 17 2HB CYS 17 1.261 8.230 7.291 131 HB3 CYS 17 1HB CYS 17 0.328 8.128 5.805 132 H GLN 18 H GLN 18 2.767 9.947 7.804 133 HA GLN 18 HA GLN 18 3.708 12.669 7.066 134 HB2 GLN 18 2HB GLN 18 3.950 11.970 9.425 135 HB3 GLN 18 1HB GLN 18 4.931 10.602 8.914 136 HG2 GLN 18 2HG GLN 18 6.312 12.570 9.622 137 HG3 GLN 18 1HG GLN 18 6.605 12.074 7.961 138 HE21 GLN 18 1HE2 GLN 18 5.485 13.375 6.225 139 HE22 GLN 18 2HE2 GLN 18 5.081 14.993 6.525 140 H GLU 19 H GLU 19 4.522 9.271 6.820 141 HA GLU 19 HA GLU 19 7.025 9.606 5.490 142 HB2 GLU 19 2HB GLU 19 5.301 7.267 4.808 143 HB3 GLU 19 1HB GLU 19 7.023 7.314 5.185 144 HG2 GLU 19 2HG GLU 19 6.036 8.145 7.557 145 HG3 GLU 19 1HG GLU 19 4.693 7.132 7.021 146 H ASP 20 H ASP 20 7.488 9.995 3.389 147 HA ASP 20 HA ASP 20 5.244 10.671 1.610 148 HB2 ASP 20 2HB ASP 20 7.734 10.824 0.205 149 HB3 ASP 20 1HB ASP 20 6.689 12.146 0.714 150 H SER 21 H SER 21 6.703 7.902 2.475 151 HA SER 21 HA SER 21 7.034 6.686 -0.159 152 HB2 SER 21 2HB SER 21 6.732 4.707 1.845 153 HB3 SER 21 1HB SER 21 8.232 5.243 1.104 154 HG SER 21 HG SER 21 8.082 5.479 3.446 155 H CYS 22 H CYS 22 5.609 4.913 -0.868 156 HA CYS 22 HA CYS 22 2.977 4.772 0.493 157 HB2 CYS 22 2HB CYS 22 3.223 5.131 -2.502 158 HB3 CYS 22 1HB CYS 22 1.742 5.077 -1.561 159 H TYR 23 H TYR 23 2.652 2.598 0.784 160 HA TYR 23 HA TYR 23 4.333 0.820 -0.888 161 HB2 TYR 23 2HB TYR 23 4.046 -0.860 0.832 162 HB3 TYR 23 1HB TYR 23 4.551 0.643 1.581 163 HD1 TYR 23 1HD TYR 23 1.430 -1.235 0.656 164 HD2 TYR 23 2HD TYR 23 3.302 1.472 3.417 165 HE1 TYR 23 1HE TYR 23 -0.592 -1.288 2.081 166 HE2 TYR 23 2HE TYR 23 1.278 1.418 4.837 167 HH TYR 23 HH TYR 23 -1.646 0.388 3.836 168 H LYS 24 H LYS 24 3.584 -0.986 -1.795 169 HA LYS 24 HA LYS 24 0.646 -1.513 -1.814 170 HB2 LYS 24 2HB LYS 24 2.011 -0.340 -4.011 171 HB3 LYS 24 1HB LYS 24 1.583 -1.991 -4.436 172 HG2 LYS 24 2HG LYS 24 -0.680 -1.344 -3.276 173 HG3 LYS 24 1HG LYS 24 -0.191 0.284 -3.760 174 HD2 LYS 24 2HD LYS 24 -0.561 -2.130 -5.541 175 HD3 LYS 24 1HD LYS 24 -1.465 -0.620 -5.591 176 HE2 LYS 24 2HE LYS 24 0.478 0.603 -6.333 177 HE3 LYS 24 1HE LYS 24 1.515 -0.801 -6.085 178 HZ1 LYS 24 3HZ LYS 24 1.076 -1.374 -8.166 179 HZ2 LYS 24 1HZ LYS 24 -0.066 -0.131 -8.337 180 HZ3 LYS 24 2HZ LYS 24 -0.542 -1.643 -7.724 181 H ASN 25 H ASN 25 0.884 -3.486 -0.758 182 HA ASN 25 HA ASN 25 2.745 -5.440 -2.049 183 HB2 ASN 25 2HB ASN 25 1.902 -6.369 0.526 184 HB3 ASN 25 1HB ASN 25 3.518 -5.920 0.012 185 HD21 ASN 25 1HD2 ASN 25 3.219 -3.111 -0.357 186 HD22 ASN 25 2HD2 ASN 25 2.807 -2.410 1.126 187 H ILE 26 H ILE 26 1.991 -7.794 -1.588 188 HA ILE 26 HA ILE 26 -0.961 -7.977 -2.002 189 HB ILE 26 HB ILE 26 -0.641 -9.639 -3.716 190 HG12 ILE 26 2HG1 ILE 26 1.451 -10.582 -2.560 191 HG13 ILE 26 1HG1 ILE 26 1.471 -10.554 -4.323 192 HG21 ILE 26 1HG2 ILE 26 0.623 -8.323 -5.412 193 HG22 ILE 26 2HG2 ILE 26 1.220 -7.281 -4.120 194 HG23 ILE 26 3HG2 ILE 26 -0.504 -7.330 -4.490 195 HD11 ILE 26 3HD1 ILE 26 3.324 -9.332 -2.539 196 HD12 ILE 26 1HD1 ILE 26 2.457 -8.036 -3.363 197 HD13 ILE 26 2HD1 ILE 26 3.309 -9.261 -4.301 198 H TRP 27 H TRP 27 1.651 -8.879 -0.129 199 HA TRP 27 HA TRP 27 0.860 -11.626 0.452 200 HB2 TRP 27 2HB TRP 27 2.512 -9.921 2.293 201 HB3 TRP 27 1HB TRP 27 2.638 -11.653 1.982 202 HD1 TRP 27 HD TRP 27 3.619 -8.267 0.556 203 HE1 TRP 27 1HE TRP 27 5.341 -8.619 -1.323 204 HE3 TRP 27 3HE TRP 27 3.477 -13.357 0.165 205 HZ2 TRP 27 2HZ TRP 27 6.509 -10.771 -2.804 206 HZ3 TRP 27 3HZ TRP 27 4.905 -14.531 -1.486 207 HH2 TRP 27 HH TRP 27 6.420 -13.247 -2.969 208 H THR 28 H THR 28 -0.832 -12.160 1.731 209 HA THR 28 HA THR 28 -1.413 -10.609 4.142 210 HB THR 28 HB THR 28 -2.554 -9.430 2.164 211 HG1 THR 28 1HG THR 28 -3.247 -9.052 4.247 212 HG21 THR 28 3HG2 THR 28 -3.435 -12.064 1.689 213 HG22 THR 28 1HG2 THR 28 -3.943 -10.603 0.849 214 HG23 THR 28 2HG2 THR 28 -4.855 -11.177 2.243 215 H PHE 29 H PHE 29 -3.645 -11.601 5.058 216 HA PHE 29 HA PHE 29 -3.398 -14.560 4.711 217 HB2 PHE 29 2HB PHE 29 -4.109 -12.867 7.113 218 HB3 PHE 29 1HB PHE 29 -4.442 -14.599 7.053 219 HD1 PHE 29 2HD PHE 29 -2.477 -16.170 6.469 220 HD2 PHE 29 1HD PHE 29 -1.966 -12.089 7.705 221 HE1 PHE 29 2HE PHE 29 -0.119 -16.649 7.075 222 HE2 PHE 29 1HE PHE 29 0.392 -12.567 8.309 223 HZ PHE 29 HZ PHE 29 1.315 -14.846 7.995 224 H ASP 30 H ASP 30 -5.526 -11.819 4.592 225 HA ASP 30 HA ASP 30 -7.737 -13.664 3.817 226 HB2 ASP 30 2HB ASP 30 -9.198 -11.718 4.919 227 HB3 ASP 30 1HB ASP 30 -8.605 -13.077 5.873 228 H ASN 31 H ASN 31 -6.315 -10.423 3.625 229 HA ASN 31 HA ASN 31 -8.148 -9.672 1.440 230 HB2 ASN 31 2HB ASN 31 -5.740 -8.087 2.314 231 HB3 ASN 31 1HB ASN 31 -7.256 -7.502 1.633 232 HD21 ASN 31 1HD2 ASN 31 -5.659 -8.475 4.603 233 HD22 ASN 31 2HD2 ASN 31 -6.950 -8.113 5.641 234 H ILE 32 H ILE 32 -5.846 -8.085 0.205 235 HA ILE 32 HA ILE 32 -4.070 -10.115 -0.917 236 HB ILE 32 HB ILE 32 -5.286 -8.905 -3.213 237 HG12 ILE 32 2HG1 ILE 32 -7.520 -9.988 -3.085 238 HG13 ILE 32 1HG1 ILE 32 -7.214 -10.394 -1.400 239 HG21 ILE 32 1HG2 ILE 32 -4.113 -11.279 -2.477 240 HG22 ILE 32 2HG2 ILE 32 -4.898 -10.972 -4.026 241 HG23 ILE 32 3HG2 ILE 32 -5.795 -11.748 -2.722 242 HD11 ILE 32 3HD1 ILE 32 -6.662 -7.690 -1.470 243 HD12 ILE 32 1HD1 ILE 32 -8.184 -8.399 -0.933 244 HD13 ILE 32 2HD1 ILE 32 -8.014 -7.833 -2.594 245 H ILE 33 H ILE 33 -5.251 -7.218 -2.583 246 HA ILE 33 HA ILE 33 -2.516 -6.133 -2.602 247 HB ILE 33 HB ILE 33 -4.681 -4.335 -3.483 248 HG12 ILE 33 2HG1 ILE 33 -5.711 -6.466 -4.084 249 HG13 ILE 33 1HG1 ILE 33 -5.173 -5.622 -5.529 250 HG21 ILE 33 1HG2 ILE 33 -2.067 -4.358 -3.880 251 HG22 ILE 33 2HG2 ILE 33 -3.161 -3.781 -5.138 252 HG23 ILE 33 3HG2 ILE 33 -2.498 -5.413 -5.226 253 HD11 ILE 33 3HD1 ILE 33 -4.550 -7.999 -5.634 254 HD12 ILE 33 1HD1 ILE 33 -3.662 -7.839 -4.120 255 HD13 ILE 33 2HD1 ILE 33 -3.115 -6.977 -5.556 256 H ARG 34 H ARG 34 -1.804 -4.409 -1.357 257 HA ARG 34 HA ARG 34 -3.828 -2.905 0.170 258 HB2 ARG 34 2HB ARG 34 -3.057 -4.915 1.557 259 HB3 ARG 34 1HB ARG 34 -1.511 -4.066 1.680 260 HG2 ARG 34 2HG ARG 34 -2.510 -2.182 2.729 261 HG3 ARG 34 1HG ARG 34 -4.134 -2.715 2.309 262 HD2 ARG 34 2HD ARG 34 -4.157 -3.522 4.425 263 HD3 ARG 34 1HD ARG 34 -3.257 -4.863 3.715 264 HE ARG 34 HE ARG 34 -1.393 -2.846 4.448 265 HH11 ARG 34 1HH1 ARG 34 -3.838 -4.681 6.014 266 HH12 ARG 34 2HH1 ARG 34 -2.874 -5.033 7.410 267 HH21 ARG 34 1HH2 ARG 34 -0.041 -3.457 6.179 268 HH22 ARG 34 2HH2 ARG 34 -0.725 -4.340 7.504 269 H ARG 35 H ARG 35 -3.298 -0.990 -0.577 270 HA ARG 35 HA ARG 35 -0.467 -0.206 -0.521 271 HB2 ARG 35 2HB ARG 35 -0.843 1.248 -2.316 272 HB3 ARG 35 1HB ARG 35 -1.885 -0.121 -2.683 273 HG2 ARG 35 2HG ARG 35 -3.760 1.078 -1.553 274 HG3 ARG 35 1HG ARG 35 -2.712 2.483 -1.409 275 HD2 ARG 35 2HD ARG 35 -4.328 2.342 -3.451 276 HD3 ARG 35 1HD ARG 35 -2.668 2.858 -3.721 277 HE ARG 35 HE ARG 35 -2.298 0.340 -4.304 278 HH11 ARG 35 1HH1 ARG 35 -4.813 2.473 -5.218 279 HH12 ARG 35 2HH1 ARG 35 -5.496 1.391 -6.383 280 HH21 ARG 35 1HH2 ARG 35 -3.324 -1.206 -5.651 281 HH22 ARG 35 2HH2 ARG 35 -4.654 -0.686 -6.631 282 H GLY 36 H GLY 36 0.188 1.253 0.940 283 HA2 GLY 36 2HA GLY 36 -1.832 3.098 2.124 284 HA3 GLY 36 1HA GLY 36 -0.801 2.142 3.181 285 H CYS 37 H CYS 37 0.141 4.045 4.042 286 HA CYS 37 HA CYS 37 1.873 5.598 2.174 287 HB2 CYS 37 2HB CYS 37 0.064 6.745 3.601 288 HB3 CYS 37 1HB CYS 37 1.092 6.381 4.985 289 H GLY 38 H GLY 38 4.053 5.194 2.358 290 HA2 GLY 38 2HA GLY 38 6.107 4.872 3.573 291 HA3 GLY 38 1HA GLY 38 5.159 4.377 4.977 292 H CYS 39 H CYS 39 6.544 2.423 5.008 293 HA CYS 39 HA CYS 39 5.703 0.457 2.914 294 HB2 CYS 39 2HB CYS 39 8.218 0.497 4.572 295 HB3 CYS 39 1HB CYS 39 7.747 -0.837 3.538 296 H PHE 40 H PHE 40 5.403 -1.769 3.703 297 HA PHE 40 HA PHE 40 3.775 -1.818 6.069 298 HB2 PHE 40 2HB PHE 40 3.919 -4.341 5.776 299 HB3 PHE 40 1HB PHE 40 3.297 -3.448 4.397 300 HD1 PHE 40 1HD PHE 40 6.794 -2.854 4.736 301 HD2 PHE 40 2HD PHE 40 3.954 -5.743 3.310 302 HE1 PHE 40 1HE PHE 40 8.537 -3.851 3.307 303 HE2 PHE 40 2HE PHE 40 5.710 -6.749 1.882 304 HZ PHE 40 HZ PHE 40 8.002 -5.802 1.878 305 H THR 41 H THR 41 4.274 -3.478 7.896 306 HA THR 41 HA THR 41 6.747 -2.607 9.128 307 HB THR 41 HB THR 41 5.044 -4.799 10.253 308 HG1 THR 41 1HG THR 41 3.467 -3.440 10.631 309 HG21 THR 41 3HG2 THR 41 7.013 -4.186 11.510 310 HG22 THR 41 1HG2 THR 41 5.606 -3.535 12.350 311 HG23 THR 41 2HG2 THR 41 6.619 -2.472 11.372 312 HA PRO 42 HA PRO 42 8.012 -7.167 8.758 313 HB2 PRO 42 2HB PRO 42 6.495 -8.803 7.151 314 HB3 PRO 42 1HB PRO 42 6.192 -8.562 8.880 315 HG2 PRO 42 2HG PRO 42 4.651 -7.546 6.559 316 HG3 PRO 42 1HG PRO 42 4.137 -7.749 8.241 317 HD2 PRO 42 2HD PRO 42 4.922 -5.319 6.943 318 HD3 PRO 42 1HD PRO 42 4.506 -5.520 8.658 319 H ARG 43 H ARG 43 8.738 -5.067 7.006 320 HA ARG 43 HA ARG 43 8.822 -5.855 4.255 321 HB2 ARG 43 2HB ARG 43 10.678 -4.235 4.052 322 HB3 ARG 43 1HB ARG 43 9.343 -3.564 4.977 323 HG2 ARG 43 2HG ARG 43 10.489 -4.141 7.081 324 HG3 ARG 43 1HG ARG 43 11.830 -4.821 6.158 325 HD2 ARG 43 2HD ARG 43 12.672 -2.770 5.625 326 HD3 ARG 43 1HD ARG 43 11.071 -2.057 5.422 327 HE ARG 43 HE ARG 43 11.758 -2.650 8.205 328 HH11 ARG 43 1HH2 ARG 43 10.206 -0.376 6.559 329 HH12 ARG 43 2HH2 ARG 43 11.085 0.998 7.141 330 HH21 ARG 43 1HH1 ARG 43 13.626 -0.893 8.554 331 HH22 ARG 43 2HH1 ARG 43 13.021 0.706 8.273 332 H GLY 44 H GLY 44 10.906 -6.410 3.107 333 HA2 GLY 44 2HA GLY 44 13.171 -7.506 4.217 334 HA3 GLY 44 1HA GLY 44 11.988 -8.809 4.295 335 H ASP 45 H ASP 45 13.386 -9.967 2.749 336 HA ASP 45 HA ASP 45 13.503 -8.842 0.010 337 HB2 ASP 45 2HB ASP 45 15.470 -10.036 1.096 338 HB3 ASP 45 1HB ASP 45 14.532 -11.524 0.970 339 H MET 46 H MET 46 11.925 -11.417 1.833 340 HA MET 46 HA MET 46 10.900 -12.982 -0.250 341 HB2 MET 46 2HB MET 46 10.452 -12.744 2.511 342 HB3 MET 46 1HB MET 46 8.867 -12.552 1.762 343 HG2 MET 46 2HG MET 46 8.811 -14.708 1.030 344 HG3 MET 46 1HG MET 46 10.526 -14.712 0.615 345 HE1 MET 46 3HE MET 46 10.848 -17.625 2.934 346 HE2 MET 46 1HE MET 46 11.507 -16.767 1.533 347 HE3 MET 46 2HE MET 46 9.818 -17.270 1.548 348 HA PRO 47 HA PRO 47 7.229 -9.979 -0.669 349 HB2 PRO 47 2HB PRO 47 7.308 -7.657 0.792 350 HB3 PRO 47 1HB PRO 47 6.593 -9.167 1.380 351 HG2 PRO 47 2HG PRO 47 9.155 -7.880 2.167 352 HG3 PRO 47 1HG PRO 47 8.156 -9.032 3.069 353 HD2 PRO 47 2HD PRO 47 10.548 -9.615 1.627 354 HD3 PRO 47 1HD PRO 47 9.442 -10.793 2.357 355 H GLY 48 H GLY 48 6.920 -8.263 -2.136 356 HA2 GLY 48 2HA GLY 48 9.128 -6.419 -2.703 357 HA3 GLY 48 1HA GLY 48 8.673 -7.522 -4.003 358 HA PRO 49 HA PRO 49 4.732 -4.909 -3.100 359 HB2 PRO 49 2HB PRO 49 4.980 -2.960 -1.174 360 HB3 PRO 49 1HB PRO 49 4.435 -4.607 -0.839 361 HG2 PRO 49 2HG PRO 49 7.093 -3.362 -0.295 362 HG3 PRO 49 1HG PRO 49 6.245 -4.641 0.582 363 HD2 PRO 49 2HD PRO 49 8.359 -5.080 -1.197 364 HD3 PRO 49 1HD PRO 49 7.183 -6.310 -0.692 365 H TYR 50 H TYR 50 4.304 -2.249 -2.942 366 HA TYR 50 HA TYR 50 6.382 -1.094 -4.742 367 HB2 TYR 50 2HB TYR 50 3.621 -1.475 -5.203 368 HB3 TYR 50 1HB TYR 50 3.842 0.259 -4.948 369 HD1 TYR 50 1HD TYR 50 5.756 -2.528 -6.597 370 HD2 TYR 50 2HD TYR 50 4.243 1.483 -6.886 371 HE1 TYR 50 1HE TYR 50 6.748 -2.316 -8.861 372 HE2 TYR 50 2HE TYR 50 5.235 1.695 -9.149 373 HH TYR 50 HH TYR 50 6.621 -1.051 -10.809 374 H CYS 51 H CYS 51 7.457 -0.316 -2.802 375 HA CYS 51 HA CYS 51 6.089 1.731 -1.132 376 HB2 CYS 51 2HB CYS 51 8.801 0.424 -1.204 377 HB3 CYS 51 1HB CYS 51 8.607 1.984 -0.402 378 H CYS 52 H CYS 52 5.846 3.688 -2.256 379 HA CYS 52 HA CYS 52 8.230 4.617 -3.818 380 HB2 CYS 52 2HB CYS 52 5.698 5.869 -4.597 381 HB3 CYS 52 1HB CYS 52 6.974 5.203 -5.605 382 H GLU 53 H GLU 53 8.947 6.658 -3.379 383 HA GLU 53 HA GLU 53 7.665 8.032 -1.124 384 HB2 GLU 53 2HB GLU 53 9.997 9.206 -2.578 385 HB3 GLU 53 1HB GLU 53 9.640 9.192 -0.850 386 HG2 GLU 53 2HG GLU 53 10.099 6.739 -0.813 387 HG3 GLU 53 1HG GLU 53 10.573 6.833 -2.509 388 H SER 54 H SER 54 6.040 7.948 -3.378 389 HA SER 54 HA SER 54 5.972 10.822 -4.154 390 HB2 SER 54 2HB SER 54 4.810 9.209 -6.220 391 HB3 SER 54 1HB SER 54 6.193 10.293 -6.334 392 HG SER 54 HG SER 54 7.086 8.380 -6.751 393 H ASP 55 H ASP 55 3.798 11.619 -4.448 394 HA ASP 55 HA ASP 55 1.886 10.371 -2.696 395 HB2 ASP 55 2HB ASP 55 1.338 12.506 -4.772 396 HB3 ASP 55 1HB ASP 55 0.408 12.170 -3.312 397 H LYS 56 H LYS 56 -0.228 9.599 -3.303 398 HA LYS 56 HA LYS 56 -1.444 7.918 -4.425 399 HB2 LYS 56 2HB LYS 56 -2.373 8.736 -6.476 400 HB3 LYS 56 1HB LYS 56 -2.071 10.147 -5.462 401 HG2 LYS 56 2HG LYS 56 0.021 10.591 -6.637 402 HG3 LYS 56 1HG LYS 56 -0.185 9.134 -7.608 403 HD2 LYS 56 2HD LYS 56 -2.410 10.140 -8.378 404 HD3 LYS 56 1HD LYS 56 -1.860 11.651 -7.654 405 HE2 LYS 56 2HE LYS 56 0.227 10.474 -9.291 406 HE3 LYS 56 1HE LYS 56 -1.247 10.707 -10.226 407 HZ1 LYS 56 3HZ LYS 56 -1.295 13.012 -9.228 408 HZ2 LYS 56 1HZ LYS 56 -0.086 12.716 -10.381 409 HZ3 LYS 56 2HZ LYS 56 0.304 12.730 -8.727 410 H CYS 57 H CYS 57 1.611 7.558 -4.595 411 HA CYS 57 HA CYS 57 2.327 6.655 -7.189 412 HB2 CYS 57 2HB CYS 57 4.249 6.028 -6.159 413 HB3 CYS 57 1HB CYS 57 3.538 6.645 -4.674 414 H ASN 58 H ASN 58 0.669 4.949 -4.564 415 HA ASN 58 HA ASN 58 0.451 2.505 -6.108 416 HB2 ASN 58 2HB ASN 58 -1.074 1.880 -4.102 417 HB3 ASN 58 1HB ASN 58 0.649 2.105 -3.811 418 HD21 ASN 58 1HD2 ASN 58 0.050 2.658 -1.499 419 HD22 ASN 58 2HD2 ASN 58 -0.585 4.197 -1.146 420 H LEU 59 H LEU 59 -0.869 4.955 -7.228 421 HA LEU 59 HA LEU 59 -3.677 3.931 -7.219 422 HB2 LEU 59 2HB LEU 59 -3.361 6.294 -6.397 423 HB3 LEU 59 1HB LEU 59 -2.754 6.712 -7.999 424 HG LEU 59 HG LEU 59 -5.241 7.153 -7.596 425 HD11 LEU 59 1HD1 LEU 59 -5.704 6.780 -9.836 426 HD12 LEU 59 2HD1 LEU 59 -4.932 5.194 -9.840 427 HD13 LEU 59 3HD1 LEU 59 -3.945 6.655 -9.853 428 HD21 LEU 59 3HD2 LEU 59 -5.704 4.257 -8.153 429 HD22 LEU 59 1HD2 LEU 59 -6.713 5.404 -7.272 430 HD23 LEU 59 2HD2 LEU 59 -5.295 4.700 -6.497 Start of MODEL 4 1 H1 ARG 1 1HT ARG 1 2.644 12.761 4.380 2 H2 ARG 1 2HT ARG 1 3.882 12.823 3.218 3 H3 ARG 1 3HT ARG 1 2.741 11.563 3.185 4 HA ARG 1 HA ARG 1 1.756 14.306 3.015 5 HB2 ARG 1 2HB ARG 1 2.071 13.866 0.397 6 HB3 ARG 1 1HB ARG 1 3.328 14.641 1.353 7 HG2 ARG 1 2HG ARG 1 4.753 12.924 1.052 8 HG3 ARG 1 1HG ARG 1 3.524 11.743 1.498 9 HD2 ARG 1 2HD ARG 1 2.543 12.160 -0.850 10 HD3 ARG 1 1HD ARG 1 4.104 12.893 -1.224 11 HE ARG 1 HE ARG 1 5.022 10.740 -1.247 12 HH11 ARG 1 1HH2 ARG 1 2.000 10.834 0.412 13 HH12 ARG 1 2HH2 ARG 1 1.965 9.132 0.715 14 HH21 ARG 1 1HH1 ARG 1 4.994 8.522 -0.837 15 HH22 ARG 1 2HH1 ARG 1 3.664 7.839 0.036 16 H ILE 2 H ILE 2 1.059 12.461 0.228 17 HA ILE 2 HA ILE 2 -1.244 11.146 1.618 18 HB ILE 2 HB ILE 2 -1.511 12.526 -1.052 19 HG12 ILE 2 2HG1 ILE 2 -2.855 13.798 1.194 20 HG13 ILE 2 1HG1 ILE 2 -1.107 13.755 1.403 21 HG21 ILE 2 1HG2 ILE 2 -3.793 12.083 0.794 22 HG22 ILE 2 2HG2 ILE 2 -3.068 10.625 0.120 23 HG23 ILE 2 3HG2 ILE 2 -3.702 11.870 -0.955 24 HD11 ILE 2 3HD1 ILE 2 -0.706 15.120 -0.398 25 HD12 ILE 2 1HD1 ILE 2 -2.321 15.702 0.009 26 HD13 ILE 2 2HD1 ILE 2 -2.108 14.524 -1.288 27 H CYS 3 H CYS 3 -1.498 9.066 1.033 28 HA CYS 3 HA CYS 3 -0.589 8.308 -1.678 29 HB2 CYS 3 2HB CYS 3 0.993 7.596 0.297 30 HB3 CYS 3 1HB CYS 3 -0.248 6.380 0.604 31 H TYR 4 H TYR 4 -1.564 5.818 -2.013 32 HA TYR 4 HA TYR 4 -4.442 6.234 -1.595 33 HB2 TYR 4 2HB TYR 4 -2.858 4.088 -3.023 34 HB3 TYR 4 1HB TYR 4 -4.567 3.894 -2.700 35 HD1 TYR 4 1HD TYR 4 -2.054 5.864 -4.549 36 HD2 TYR 4 2HD TYR 4 -6.239 5.214 -3.839 37 HE1 TYR 4 1HE TYR 4 -2.602 7.208 -6.556 38 HE2 TYR 4 2HE TYR 4 -6.787 6.569 -5.843 39 HH TYR 4 HH TYR 4 -4.211 8.073 -7.803 40 H ASN 5 H ASN 5 -5.740 4.910 -0.315 41 HA ASN 5 HA ASN 5 -4.310 3.242 1.694 42 HB2 ASN 5 2HB ASN 5 -5.375 5.055 2.823 43 HB3 ASN 5 1HB ASN 5 -6.831 4.906 1.846 44 HD21 ASN 5 1HD2 ASN 5 -5.110 2.118 3.196 45 HD22 ASN 5 2HD2 ASN 5 -6.334 1.673 4.276 46 H HIS 6 H HIS 6 -6.718 3.425 -0.771 47 HA HIS 6 HA HIS 6 -8.384 1.301 -0.080 48 HB2 HIS 6 2HB HIS 6 -9.281 1.568 -2.178 49 HB3 HIS 6 1HB HIS 6 -8.296 3.023 -2.149 50 HD1 HIS 6 1HD HIS 6 -6.443 3.205 -3.848 51 HD2 HIS 6 2HD HIS 6 -7.979 -0.663 -3.612 52 HE1 HIS 6 1HE HIS 6 -5.368 1.892 -5.727 53 H LEU 7 H LEU 7 -8.151 -0.842 0.041 54 HA LEU 7 HA LEU 7 -5.593 -2.020 -0.938 55 HB2 LEU 7 2HB LEU 7 -6.480 -3.975 0.592 56 HB3 LEU 7 1HB LEU 7 -5.734 -2.558 1.327 57 HG LEU 7 HG LEU 7 -8.672 -2.456 0.818 58 HD11 LEU 7 1HD1 LEU 7 -7.574 -4.655 2.152 59 HD12 LEU 7 2HD1 LEU 7 -9.245 -4.096 2.257 60 HD13 LEU 7 3HD1 LEU 7 -8.058 -3.555 3.444 61 HD21 LEU 7 3HD2 LEU 7 -8.561 -1.224 2.991 62 HD22 LEU 7 1HD2 LEU 7 -7.514 -0.520 1.760 63 HD23 LEU 7 2HD2 LEU 7 -6.824 -1.521 3.036 64 H GLY 8 H GLY 8 -5.797 -4.288 -1.778 65 HA2 GLY 8 2HA GLY 8 -6.597 -5.583 -3.587 66 HA3 GLY 8 1HA GLY 8 -8.024 -5.682 -2.558 67 H THR 9 H THR 9 -9.635 -5.517 -4.113 68 HA THR 9 HA THR 9 -9.592 -3.056 -5.814 69 HB THR 9 HB THR 9 -11.304 -5.422 -6.491 70 HG1 THR 9 1HG THR 9 -8.604 -5.182 -7.293 71 HG21 THR 9 3HG2 THR 9 -11.678 -3.647 -7.952 72 HG22 THR 9 1HG2 THR 9 -10.429 -4.549 -8.812 73 HG23 THR 9 2HG2 THR 9 -10.001 -3.109 -7.889 74 H LYS 10 H LYS 10 -10.875 -4.088 -3.045 75 HA LYS 10 HA LYS 10 -13.684 -3.871 -3.278 76 HB2 LYS 10 2HB LYS 10 -11.723 -3.914 -1.184 77 HB3 LYS 10 1HB LYS 10 -12.868 -2.632 -0.837 78 HG2 LYS 10 2HG LYS 10 -14.558 -4.081 -0.428 79 HG3 LYS 10 1HG LYS 10 -14.132 -5.096 -1.807 80 HD2 LYS 10 2HD LYS 10 -12.571 -6.336 -0.583 81 HD3 LYS 10 1HD LYS 10 -12.374 -5.071 0.631 82 HE2 LYS 10 2HE LYS 10 -15.057 -6.369 0.295 83 HE3 LYS 10 1HE LYS 10 -13.798 -7.214 1.195 84 HZ1 LYS 10 3HZ LYS 10 -13.531 -5.019 2.432 85 HZ2 LYS 10 1HZ LYS 10 -14.896 -5.958 2.790 86 HZ3 LYS 10 2HZ LYS 10 -15.042 -4.601 1.779 87 HA PRO 11 HA PRO 11 -14.337 0.503 -3.757 88 HB2 PRO 11 2HB PRO 11 -16.230 1.137 -1.891 89 HB3 PRO 11 1HB PRO 11 -16.538 0.115 -3.304 90 HG2 PRO 11 2HG PRO 11 -16.370 -0.663 -0.456 91 HG3 PRO 11 1HG PRO 11 -17.076 -1.551 -1.814 92 HD2 PRO 11 2HD PRO 11 -14.489 -1.951 -0.578 93 HD3 PRO 11 1HD PRO 11 -15.217 -2.878 -1.909 94 HA PRO 12 HA PRO 12 -12.588 2.408 0.323 95 HB2 PRO 12 2HB PRO 12 -9.928 1.780 0.405 96 HB3 PRO 12 1HB PRO 12 -11.174 0.878 1.274 97 HG2 PRO 12 2HG PRO 12 -9.695 0.088 -1.196 98 HG3 PRO 12 1HG PRO 12 -10.459 -0.929 0.031 99 HD2 PRO 12 2HD PRO 12 -11.506 -0.295 -2.509 100 HD3 PRO 12 1HD PRO 12 -12.379 -1.054 -1.170 101 H THR 13 H THR 13 -10.391 3.981 0.328 102 HA THR 13 HA THR 13 -9.931 4.910 -2.469 103 HB THR 13 HB THR 13 -11.941 6.081 -1.451 104 HG1 THR 13 1HG THR 13 -11.190 8.108 -2.158 105 HG21 THR 13 3HG2 THR 13 -11.658 7.553 0.362 106 HG22 THR 13 1HG2 THR 13 -9.902 7.571 0.189 107 HG23 THR 13 2HG2 THR 13 -10.710 6.143 0.835 108 H THR 14 H THR 14 -8.776 7.388 -1.748 109 HA THR 14 HA THR 14 -6.130 6.517 -0.870 110 HB THR 14 HB THR 14 -5.603 9.000 -1.163 111 HG1 THR 14 1HG THR 14 -7.173 10.275 -1.767 112 HG21 THR 14 3HG2 THR 14 -5.811 8.827 -3.668 113 HG22 THR 14 1HG2 THR 14 -6.700 7.325 -3.418 114 HG23 THR 14 2HG2 THR 14 -5.021 7.455 -2.891 115 H GLU 15 H GLU 15 -4.962 7.767 0.812 116 HA GLU 15 HA GLU 15 -6.581 9.172 2.801 117 HB2 GLU 15 2HB GLU 15 -6.668 7.625 4.471 118 HB3 GLU 15 1HB GLU 15 -6.536 6.478 3.147 119 HG2 GLU 15 2HG GLU 15 -4.168 6.215 3.505 120 HG3 GLU 15 1HG GLU 15 -4.129 7.571 4.632 121 H THR 16 H THR 16 -5.335 10.696 3.783 122 HA THR 16 HA THR 16 -2.574 10.978 2.930 123 HB THR 16 HB THR 16 -3.868 12.513 5.184 124 HG1 THR 16 1HG THR 16 -4.083 13.206 2.461 125 HG21 THR 16 3HG2 THR 16 -1.952 13.375 3.010 126 HG22 THR 16 1HG2 THR 16 -1.447 12.842 4.613 127 HG23 THR 16 2HG2 THR 16 -2.427 14.298 4.436 128 H CYS 17 H CYS 17 -0.723 10.845 4.250 129 HA CYS 17 HA CYS 17 -1.055 9.679 6.963 130 HB2 CYS 17 2HB CYS 17 0.977 8.524 5.067 131 HB3 CYS 17 1HB CYS 17 0.333 7.823 6.550 132 H GLN 18 H GLN 18 1.558 9.312 7.639 133 HA GLN 18 HA GLN 18 2.589 12.086 7.503 134 HB2 GLN 18 2HB GLN 18 2.430 10.976 9.709 135 HB3 GLN 18 1HB GLN 18 3.554 9.742 9.154 136 HG2 GLN 18 2HG GLN 18 4.681 11.589 10.430 137 HG3 GLN 18 1HG GLN 18 5.289 11.394 8.791 138 HE21 GLN 18 1HE2 GLN 18 4.474 12.955 7.127 139 HE22 GLN 18 2HE2 GLN 18 3.912 14.483 7.605 140 H GLU 19 H GLU 19 3.630 8.764 6.880 141 HA GLU 19 HA GLU 19 6.276 9.474 6.047 142 HB2 GLU 19 2HB GLU 19 4.974 7.113 4.810 143 HB3 GLU 19 1HB GLU 19 6.578 7.262 5.515 144 HG2 GLU 19 2HG GLU 19 5.687 6.139 7.278 145 HG3 GLU 19 1HG GLU 19 4.984 7.699 7.704 146 H ASP 20 H ASP 20 7.036 10.181 4.130 147 HA ASP 20 HA ASP 20 5.074 10.931 2.072 148 HB2 ASP 20 2HB ASP 20 7.761 11.307 1.139 149 HB3 ASP 20 1HB ASP 20 6.563 12.531 1.539 150 H SER 21 H SER 21 6.541 8.144 2.885 151 HA SER 21 HA SER 21 7.321 7.287 0.201 152 HB2 SER 21 2HB SER 21 6.952 5.067 1.969 153 HB3 SER 21 1HB SER 21 8.469 5.740 1.386 154 HG SER 21 HG SER 21 8.384 5.855 3.637 155 H CYS 22 H CYS 22 6.158 5.123 -0.544 156 HA CYS 22 HA CYS 22 3.243 5.241 0.131 157 HB2 CYS 22 2HB CYS 22 4.626 5.585 -2.481 158 HB3 CYS 22 1HB CYS 22 3.210 4.536 -2.491 159 H TYR 23 H TYR 23 2.657 3.122 0.769 160 HA TYR 23 HA TYR 23 4.402 0.998 -0.369 161 HB2 TYR 23 2HB TYR 23 4.459 -0.191 1.597 162 HB3 TYR 23 1HB TYR 23 4.424 1.437 2.218 163 HD1 TYR 23 2HD TYR 23 2.101 2.431 2.850 164 HD2 TYR 23 1HD TYR 23 2.852 -1.739 2.202 165 HE1 TYR 23 2HE TYR 23 0.058 1.857 4.132 166 HE2 TYR 23 1HE TYR 23 0.808 -2.314 3.476 167 HH TYR 23 HH TYR 23 -1.379 0.215 4.670 168 H LYS 24 H LYS 24 3.538 -0.330 -1.650 169 HA LYS 24 HA LYS 24 0.692 -1.078 -1.323 170 HB2 LYS 24 2HB LYS 24 0.236 -0.897 -3.667 171 HB3 LYS 24 1HB LYS 24 0.954 0.633 -3.171 172 HG2 LYS 24 2HG LYS 24 2.564 -1.633 -4.349 173 HG3 LYS 24 1HG LYS 24 1.866 -0.338 -5.297 174 HD2 LYS 24 2HD LYS 24 3.135 0.955 -3.161 175 HD3 LYS 24 1HD LYS 24 4.261 -0.299 -3.676 176 HE2 LYS 24 2HE LYS 24 3.947 0.500 -6.043 177 HE3 LYS 24 1HE LYS 24 3.012 1.850 -5.403 178 HZ1 LYS 24 3HZ LYS 24 5.611 1.991 -5.782 179 HZ2 LYS 24 1HZ LYS 24 5.627 1.356 -4.209 180 HZ3 LYS 24 2HZ LYS 24 4.834 2.826 -4.523 181 H ASN 25 H ASN 25 0.636 -3.170 -1.051 182 HA ASN 25 HA ASN 25 2.690 -4.882 -2.390 183 HB2 ASN 25 2HB ASN 25 2.626 -6.144 -0.082 184 HB3 ASN 25 1HB ASN 25 3.585 -4.674 -0.235 185 HD21 ASN 25 1HD2 ASN 25 2.295 -2.585 0.252 186 HD22 ASN 25 2HD2 ASN 25 1.216 -2.647 1.546 187 H ILE 26 H ILE 26 2.114 -7.279 -1.972 188 HA ILE 26 HA ILE 26 -0.817 -7.624 -2.409 189 HB ILE 26 HB ILE 26 -0.349 -9.355 -3.903 190 HG12 ILE 26 2HG1 ILE 26 1.097 -10.620 -2.273 191 HG13 ILE 26 1HG1 ILE 26 1.681 -10.680 -3.934 192 HG21 ILE 26 1HG2 ILE 26 1.558 -8.605 -5.329 193 HG22 ILE 26 2HG2 ILE 26 2.046 -7.507 -4.037 194 HG23 ILE 26 3HG2 ILE 26 0.498 -7.280 -4.849 195 HD11 ILE 26 3HD1 ILE 26 3.594 -10.203 -2.584 196 HD12 ILE 26 1HD1 ILE 26 2.722 -8.974 -1.672 197 HD13 ILE 26 2HD1 ILE 26 3.151 -8.681 -3.355 198 H TRP 27 H TRP 27 1.475 -7.949 -0.058 199 HA TRP 27 HA TRP 27 0.710 -10.575 0.988 200 HB2 TRP 27 2HB TRP 27 2.325 -8.290 2.137 201 HB3 TRP 27 1HB TRP 27 2.073 -9.822 2.973 202 HD1 TRP 27 HD TRP 27 3.785 -8.328 -0.095 203 HE1 TRP 27 1HE TRP 27 5.520 -10.012 -0.984 204 HE3 TRP 27 3HE TRP 27 2.743 -12.322 2.907 205 HZ2 TRP 27 2HZ TRP 27 6.364 -12.701 -0.478 206 HZ3 TRP 27 3HZ TRP 27 4.029 -14.428 2.687 207 HH2 TRP 27 HH TRP 27 5.836 -14.623 1.001 208 H THR 28 H THR 28 -1.570 -10.386 1.319 209 HA THR 28 HA THR 28 -2.265 -9.129 3.854 210 HB THR 28 HB THR 28 -2.694 -7.722 1.373 211 HG1 THR 28 1HG THR 28 -3.618 -7.030 3.947 212 HG21 THR 28 3HG2 THR 28 -5.036 -7.219 1.470 213 HG22 THR 28 1HG2 THR 28 -5.236 -8.122 2.971 214 HG23 THR 28 2HG2 THR 28 -4.908 -8.976 1.467 215 H PHE 29 H PHE 29 -3.555 -10.598 4.828 216 HA PHE 29 HA PHE 29 -4.851 -12.683 3.201 217 HB2 PHE 29 2HB PHE 29 -4.047 -12.341 6.011 218 HB3 PHE 29 1HB PHE 29 -5.598 -13.158 5.811 219 HD1 PHE 29 2HD PHE 29 -5.565 -14.894 3.699 220 HD2 PHE 29 1HD PHE 29 -2.179 -13.722 6.069 221 HE1 PHE 29 2HE PHE 29 -4.382 -16.972 3.038 222 HE2 PHE 29 1HE PHE 29 -0.996 -15.800 5.407 223 HZ PHE 29 HZ PHE 29 -2.098 -17.424 3.891 224 H ASP 30 H ASP 30 -5.909 -10.355 5.712 225 HA ASP 30 HA ASP 30 -8.642 -10.754 5.673 226 HB2 ASP 30 2HB ASP 30 -7.174 -8.904 6.850 227 HB3 ASP 30 1HB ASP 30 -7.649 -7.929 5.459 228 H ASN 31 H ASN 31 -6.673 -9.365 3.124 229 HA ASN 31 HA ASN 31 -9.044 -9.467 1.347 230 HB2 ASN 31 2HB ASN 31 -7.301 -7.031 1.788 231 HB3 ASN 31 1HB ASN 31 -8.327 -7.229 0.366 232 HD21 ASN 31 1HD2 ASN 31 -10.698 -7.377 0.743 233 HD22 ASN 31 2HD2 ASN 31 -11.372 -6.739 2.164 234 H ILE 32 H ILE 32 -6.435 -7.738 -0.002 235 HA ILE 32 HA ILE 32 -4.906 -10.113 -0.781 236 HB ILE 32 HB ILE 32 -6.562 -10.386 -2.419 237 HG12 ILE 32 2HG1 ILE 32 -5.509 -9.502 -4.565 238 HG13 ILE 32 1HG1 ILE 32 -4.322 -8.703 -3.539 239 HG21 ILE 32 1HG2 ILE 32 -7.979 -8.779 -3.100 240 HG22 ILE 32 2HG2 ILE 32 -6.660 -7.715 -3.582 241 HG23 ILE 32 3HG2 ILE 32 -7.203 -7.741 -1.905 242 HD11 ILE 32 3HD1 ILE 32 -3.168 -10.620 -3.374 243 HD12 ILE 32 1HD1 ILE 32 -4.361 -11.428 -4.389 244 HD13 ILE 32 2HD1 ILE 32 -4.570 -11.397 -2.638 245 H ILE 33 H ILE 33 -5.459 -6.841 -2.133 246 HA ILE 33 HA ILE 33 -2.517 -6.368 -1.877 247 HB ILE 33 HB ILE 33 -4.355 -4.578 -3.437 248 HG12 ILE 33 2HG1 ILE 33 -4.814 -7.006 -4.034 249 HG13 ILE 33 1HG1 ILE 33 -4.263 -5.991 -5.366 250 HG21 ILE 33 1HG2 ILE 33 -1.493 -5.506 -3.794 251 HG22 ILE 33 2HG2 ILE 33 -2.002 -3.954 -3.129 252 HG23 ILE 33 3HG2 ILE 33 -2.321 -4.336 -4.822 253 HD11 ILE 33 3HD1 ILE 33 -2.072 -6.893 -5.306 254 HD12 ILE 33 1HD1 ILE 33 -3.122 -8.295 -5.100 255 HD13 ILE 33 2HD1 ILE 33 -2.312 -7.586 -3.703 256 H ARG 34 H ARG 34 -1.864 -4.177 -1.139 257 HA ARG 34 HA ARG 34 -3.996 -2.650 0.231 258 HB2 ARG 34 2HB ARG 34 -2.909 -4.374 1.822 259 HB3 ARG 34 1HB ARG 34 -1.501 -3.308 1.769 260 HG2 ARG 34 2HG ARG 34 -2.680 -1.504 2.717 261 HG3 ARG 34 1HG ARG 34 -4.240 -2.197 2.324 262 HD2 ARG 34 2HD ARG 34 -4.281 -3.502 4.187 263 HD3 ARG 34 1HD ARG 34 -2.567 -3.891 4.062 264 HE ARG 34 HE ARG 34 -2.081 -1.750 5.193 265 HH11 ARG 34 1HH1 ARG 34 -4.737 -3.504 6.125 266 HH12 ARG 34 2HH1 ARG 34 -5.533 -2.220 6.973 267 HH21 ARG 34 1HH2 ARG 34 -3.363 0.233 5.830 268 HH22 ARG 34 2HH2 ARG 34 -4.753 -0.103 6.807 269 H ARG 35 H ARG 35 -3.726 -0.647 -0.466 270 HA ARG 35 HA ARG 35 -0.971 0.332 -1.040 271 HB2 ARG 35 2HB ARG 35 -3.651 1.411 -1.945 272 HB3 ARG 35 1HB ARG 35 -2.099 2.105 -2.357 273 HG2 ARG 35 2HG ARG 35 -1.434 0.144 -3.569 274 HG3 ARG 35 1HG ARG 35 -2.818 -0.766 -2.964 275 HD2 ARG 35 2HD ARG 35 -4.234 0.129 -4.500 276 HD3 ARG 35 1HD ARG 35 -3.523 1.737 -4.356 277 HE ARG 35 HE ARG 35 -2.035 1.195 -6.127 278 HH11 ARG 35 1HH2 ARG 35 -4.228 -0.360 -7.340 279 HH12 ARG 35 2HH2 ARG 35 -3.517 -1.922 -7.575 280 HH21 ARG 35 1HH1 ARG 35 -0.885 -1.344 -5.390 281 HH22 ARG 35 2HH1 ARG 35 -1.625 -2.479 -6.469 282 H GLY 36 H GLY 36 -0.114 1.831 0.305 283 HA2 GLY 36 2HA GLY 36 -1.856 3.646 1.851 284 HA3 GLY 36 1HA GLY 36 -0.885 2.531 2.790 285 H CYS 37 H CYS 37 0.214 4.452 3.664 286 HA CYS 37 HA CYS 37 2.135 5.671 1.717 287 HB2 CYS 37 2HB CYS 37 1.554 6.911 4.381 288 HB3 CYS 37 1HB CYS 37 2.042 7.684 2.875 289 H GLY 38 H GLY 38 4.248 5.182 2.029 290 HA2 GLY 38 2HA GLY 38 6.161 5.116 3.644 291 HA3 GLY 38 1HA GLY 38 5.107 4.169 4.694 292 H CYS 39 H CYS 39 6.546 2.384 4.610 293 HA CYS 39 HA CYS 39 6.580 0.956 1.992 294 HB2 CYS 39 2HB CYS 39 8.502 0.652 4.327 295 HB3 CYS 39 1HB CYS 39 8.579 -0.231 2.801 296 H PHE 40 H PHE 40 6.516 -1.473 2.318 297 HA PHE 40 HA PHE 40 4.202 -2.153 3.888 298 HB2 PHE 40 2HB PHE 40 5.324 -4.592 3.417 299 HB3 PHE 40 1HB PHE 40 4.343 -3.730 2.236 300 HD1 PHE 40 2HD PHE 40 7.773 -4.551 3.294 301 HD2 PHE 40 1HD PHE 40 5.323 -2.645 0.334 302 HE1 PHE 40 2HE PHE 40 9.745 -4.342 1.797 303 HE2 PHE 40 1HE PHE 40 7.288 -2.431 -1.164 304 HZ PHE 40 HZ PHE 40 9.504 -3.282 -0.434 305 H THR 41 H THR 41 4.510 -4.257 5.394 306 HA THR 41 HA THR 41 6.257 -3.280 7.546 307 HB THR 41 HB THR 41 4.435 -5.659 7.780 308 HG1 THR 41 1HG THR 41 3.063 -4.151 7.045 309 HG21 THR 41 3HG2 THR 41 4.593 -3.745 9.959 310 HG22 THR 41 1HG2 THR 41 6.189 -4.344 9.508 311 HG23 THR 41 2HG2 THR 41 4.921 -5.479 9.969 312 HA PRO 42 HA PRO 42 8.093 -7.599 7.147 313 HB2 PRO 42 2HB PRO 42 7.233 -9.243 5.118 314 HB3 PRO 42 1HB PRO 42 6.460 -9.168 6.711 315 HG2 PRO 42 2HG PRO 42 5.458 -8.162 4.119 316 HG3 PRO 42 1HG PRO 42 4.564 -8.475 5.616 317 HD2 PRO 42 2HD PRO 42 5.492 -5.944 4.594 318 HD3 PRO 42 1HD PRO 42 4.569 -6.227 6.083 319 H ARG 43 H ARG 43 8.862 -5.253 5.685 320 HA ARG 43 HA ARG 43 9.724 -5.720 3.035 321 HB2 ARG 43 2HB ARG 43 10.074 -3.529 3.671 322 HB3 ARG 43 1HB ARG 43 10.677 -3.961 5.265 323 HG2 ARG 43 2HG ARG 43 12.826 -4.467 4.435 324 HG3 ARG 43 1HG ARG 43 12.245 -4.646 2.780 325 HD2 ARG 43 2HD ARG 43 13.280 -2.541 2.726 326 HD3 ARG 43 1HD ARG 43 11.586 -2.128 3.002 327 HE ARG 43 HE ARG 43 13.003 -2.475 5.501 328 HH11 ARG 43 1HH1 ARG 43 11.387 -0.331 3.502 329 HH12 ARG 43 2HH1 ARG 43 12.168 1.096 4.099 330 HH21 ARG 43 1HH2 ARG 43 14.478 -0.649 6.009 331 HH22 ARG 43 2HH2 ARG 43 13.922 0.916 5.517 332 H GLY 44 H GLY 44 11.295 -7.005 2.184 333 HA2 GLY 44 2HA GLY 44 13.722 -7.683 3.422 334 HA3 GLY 44 1HA GLY 44 12.574 -8.960 3.813 335 H ASP 45 H ASP 45 14.042 -10.349 2.500 336 HA ASP 45 HA ASP 45 13.989 -9.844 -0.417 337 HB2 ASP 45 2HB ASP 45 15.721 -11.254 1.415 338 HB3 ASP 45 1HB ASP 45 15.204 -12.336 0.121 339 H MET 46 H MET 46 12.431 -11.862 1.980 340 HA MET 46 HA MET 46 11.548 -13.939 0.219 341 HB2 MET 46 2HB MET 46 11.055 -13.139 2.954 342 HB3 MET 46 1HB MET 46 9.550 -13.612 2.167 343 HG2 MET 46 2HG MET 46 10.250 -15.787 1.818 344 HG3 MET 46 1HG MET 46 11.954 -15.338 1.745 345 HE1 MET 46 3HE MET 46 13.287 -16.405 4.881 346 HE2 MET 46 1HE MET 46 13.487 -15.678 3.281 347 HE3 MET 46 2HE MET 46 12.802 -17.294 3.440 348 HA PRO 47 HA PRO 47 7.645 -11.311 -0.453 349 HB2 PRO 47 2HB PRO 47 7.509 -8.864 0.792 350 HB3 PRO 47 1HB PRO 47 6.955 -10.367 1.540 351 HG2 PRO 47 2HG PRO 47 9.384 -8.764 2.141 352 HG3 PRO 47 1HG PRO 47 8.517 -9.914 3.172 353 HD2 PRO 47 2HD PRO 47 10.935 -10.395 1.735 354 HD3 PRO 47 1HD PRO 47 9.968 -11.591 2.618 355 H GLY 48 H GLY 48 7.184 -9.515 -2.001 356 HA2 GLY 48 2HA GLY 48 9.528 -7.879 -2.727 357 HA3 GLY 48 1HA GLY 48 8.841 -8.914 -3.970 358 HA PRO 49 HA PRO 49 5.360 -5.797 -3.242 359 HB2 PRO 49 2HB PRO 49 5.329 -4.330 -0.936 360 HB3 PRO 49 1HB PRO 49 4.614 -5.942 -1.074 361 HG2 PRO 49 2HG PRO 49 7.136 -5.140 0.293 362 HG3 PRO 49 1HG PRO 49 6.077 -6.516 0.612 363 HD2 PRO 49 2HD PRO 49 8.532 -6.587 -0.802 364 HD3 PRO 49 1HD PRO 49 7.313 -7.869 -0.710 365 H TYR 50 H TYR 50 5.212 -3.099 -2.735 366 HA TYR 50 HA TYR 50 7.898 -2.061 -3.531 367 HB2 TYR 50 2HB TYR 50 5.732 -2.330 -5.237 368 HB3 TYR 50 1HB TYR 50 5.692 -0.627 -4.779 369 HD1 TYR 50 1HD TYR 50 7.779 0.779 -5.059 370 HD2 TYR 50 2HD TYR 50 7.431 -3.189 -6.668 371 HE1 TYR 50 1HE TYR 50 9.699 1.220 -6.566 372 HE2 TYR 50 2HE TYR 50 9.351 -2.748 -8.175 373 HH TYR 50 HH TYR 50 11.082 -1.333 -8.579 374 H CYS 51 H CYS 51 8.490 -0.100 -2.785 375 HA CYS 51 HA CYS 51 6.553 1.507 -1.122 376 HB2 CYS 51 2HB CYS 51 8.540 0.327 0.118 377 HB3 CYS 51 1HB CYS 51 9.536 1.514 -0.708 378 H CYS 52 H CYS 52 6.550 3.666 -1.719 379 HA CYS 52 HA CYS 52 8.562 4.535 -3.761 380 HB2 CYS 52 2HB CYS 52 6.562 3.994 -4.996 381 HB3 CYS 52 1HB CYS 52 5.558 4.877 -3.860 382 H GLU 53 H GLU 53 8.612 6.958 -3.939 383 HA GLU 53 HA GLU 53 7.874 8.186 -1.315 384 HB2 GLU 53 2HB GLU 53 10.209 9.082 -3.012 385 HB3 GLU 53 1HB GLU 53 9.872 9.459 -1.320 386 HG2 GLU 53 2HG GLU 53 10.378 7.247 -0.611 387 HG3 GLU 53 1HG GLU 53 10.336 6.627 -2.260 388 H SER 54 H SER 54 5.882 8.417 -2.887 389 HA SER 54 HA SER 54 5.856 11.225 -3.730 390 HB2 SER 54 2HB SER 54 4.965 9.220 -5.791 391 HB3 SER 54 1HB SER 54 5.402 10.912 -6.011 392 HG SER 54 HG SER 54 7.077 9.594 -6.736 393 H ASP 55 H ASP 55 3.612 11.968 -3.995 394 HA ASP 55 HA ASP 55 1.809 10.539 -2.264 395 HB2 ASP 55 2HB ASP 55 0.811 12.599 -4.203 396 HB3 ASP 55 1HB ASP 55 0.354 12.326 -2.524 397 H LYS 56 H LYS 56 -0.281 9.640 -2.910 398 HA LYS 56 HA LYS 56 -1.367 7.946 -4.134 399 HB2 LYS 56 2HB LYS 56 -2.528 8.919 -5.872 400 HB3 LYS 56 1HB LYS 56 -1.845 10.372 -5.163 401 HG2 LYS 56 2HG LYS 56 0.170 9.639 -6.855 402 HG3 LYS 56 1HG LYS 56 -1.238 9.070 -7.746 403 HD2 LYS 56 2HD LYS 56 -1.939 11.171 -8.208 404 HD3 LYS 56 1HD LYS 56 -1.617 11.730 -6.567 405 HE2 LYS 56 2HE LYS 56 0.591 12.294 -7.047 406 HE3 LYS 56 1HE LYS 56 0.694 11.161 -8.395 407 HZ1 LYS 56 3HZ LYS 56 -1.207 12.751 -9.293 408 HZ2 LYS 56 1HZ LYS 56 0.439 13.058 -9.567 409 HZ3 LYS 56 2HZ LYS 56 -0.379 13.870 -8.318 410 H CYS 57 H CYS 57 1.552 7.592 -4.041 411 HA CYS 57 HA CYS 57 2.380 6.819 -6.735 412 HB2 CYS 57 2HB CYS 57 3.785 7.563 -4.584 413 HB3 CYS 57 1HB CYS 57 3.864 5.818 -4.362 414 H ASN 58 H ASN 58 0.802 5.090 -4.076 415 HA ASN 58 HA ASN 58 1.612 2.474 -4.374 416 HB2 ASN 58 2HB ASN 58 -1.333 2.870 -4.616 417 HB3 ASN 58 1HB ASN 58 -0.433 1.770 -3.578 418 HD21 ASN 58 1HD2 ASN 58 0.127 2.486 -1.481 419 HD22 ASN 58 2HD2 ASN 58 -0.381 3.984 -0.860 420 H LEU 59 H LEU 59 -0.187 4.361 -6.721 421 HA LEU 59 HA LEU 59 0.140 2.082 -8.609 422 HB2 LEU 59 2HB LEU 59 -2.028 2.967 -9.680 423 HB3 LEU 59 1HB LEU 59 -2.192 2.097 -8.155 424 HG LEU 59 HG LEU 59 -1.696 4.933 -7.718 425 HD11 LEU 59 1HD1 LEU 59 -3.979 5.644 -8.509 426 HD12 LEU 59 2HD1 LEU 59 -4.103 4.108 -9.367 427 HD13 LEU 59 3HD1 LEU 59 -2.856 5.272 -9.816 428 HD21 LEU 59 3HD2 LEU 59 -3.597 2.787 -6.854 429 HD22 LEU 59 1HD2 LEU 59 -4.082 4.464 -6.599 430 HD23 LEU 59 2HD2 LEU 59 -2.595 3.857 -5.872 Start of MODEL 5 1 H1 ARG 1 1HT ARG 1 2.864 12.568 3.776 2 H2 ARG 1 2HT ARG 1 2.238 14.132 3.557 3 H3 ARG 1 3HT ARG 1 3.894 13.837 3.321 4 HA ARG 1 HA ARG 1 2.751 14.048 1.210 5 HB2 ARG 1 2HB ARG 1 4.464 11.984 2.053 6 HB3 ARG 1 1HB ARG 1 3.236 11.195 1.062 7 HG2 ARG 1 2HG ARG 1 3.740 13.386 -0.457 8 HG3 ARG 1 1HG ARG 1 5.320 13.154 0.286 9 HD2 ARG 1 2HD ARG 1 5.154 10.705 -0.416 10 HD3 ARG 1 1HD ARG 1 3.759 11.159 -1.382 11 HE ARG 1 HE ARG 1 5.719 11.407 -2.832 12 HH11 ARG 1 1HH2 ARG 1 4.664 14.198 -2.583 13 HH12 ARG 1 2HH2 ARG 1 6.096 15.096 -2.210 14 HH21 ARG 1 1HH1 ARG 1 7.933 12.298 -1.304 15 HH22 ARG 1 2HH1 ARG 1 7.948 14.020 -1.488 16 H ILE 2 H ILE 2 1.678 11.808 -0.176 17 HA ILE 2 HA ILE 2 -0.830 11.182 1.309 18 HB ILE 2 HB ILE 2 -0.735 12.246 -1.524 19 HG12 ILE 2 2HG1 ILE 2 -2.386 13.808 0.114 20 HG13 ILE 2 1HG1 ILE 2 -0.951 13.467 1.083 21 HG21 ILE 2 1HG2 ILE 2 -2.612 10.575 -0.161 22 HG22 ILE 2 2HG2 ILE 2 -2.773 11.303 -1.759 23 HG23 ILE 2 3HG2 ILE 2 -3.346 12.170 -0.333 24 HD11 ILE 2 3HD1 ILE 2 -0.699 14.362 -1.780 25 HD12 ILE 2 1HD1 ILE 2 0.504 14.445 -0.494 26 HD13 ILE 2 2HD1 ILE 2 -0.880 15.539 -0.480 27 H CYS 3 H CYS 3 -1.331 9.063 1.114 28 HA CYS 3 HA CYS 3 -0.474 7.742 -1.391 29 HB2 CYS 3 2HB CYS 3 -0.066 6.505 1.348 30 HB3 CYS 3 1HB CYS 3 0.369 5.780 -0.195 31 H TYR 4 H TYR 4 -1.593 5.488 -1.587 32 HA TYR 4 HA TYR 4 -4.420 5.957 -1.007 33 HB2 TYR 4 2HB TYR 4 -2.946 3.766 -2.460 34 HB3 TYR 4 1HB TYR 4 -4.673 3.664 -2.134 35 HD1 TYR 4 2HD TYR 4 -6.203 5.492 -2.958 36 HD2 TYR 4 1HD TYR 4 -2.105 5.177 -4.198 37 HE1 TYR 4 2HE TYR 4 -6.670 6.974 -4.889 38 HE2 TYR 4 1HE TYR 4 -2.572 6.660 -6.122 39 HH TYR 4 HH TYR 4 -4.072 8.037 -7.063 40 H ASN 5 H ASN 5 -5.723 4.675 0.354 41 HA ASN 5 HA ASN 5 -4.176 3.114 2.368 42 HB2 ASN 5 2HB ASN 5 -5.004 4.807 3.650 43 HB3 ASN 5 1HB ASN 5 -6.355 5.113 2.564 44 HD21 ASN 5 1HD2 ASN 5 -5.450 2.032 4.149 45 HD22 ASN 5 2HD2 ASN 5 -6.919 1.848 4.963 46 H HIS 6 H HIS 6 -7.121 3.024 0.341 47 HA HIS 6 HA HIS 6 -8.118 0.714 1.747 48 HB2 HIS 6 2HB HIS 6 -9.914 1.665 0.789 49 HB3 HIS 6 1HB HIS 6 -9.030 2.220 -0.603 50 HD1 HIS 6 1HD HIS 6 -10.330 -1.046 0.842 51 HD2 HIS 6 2HD HIS 6 -9.519 0.659 -2.874 52 HE1 HIS 6 1HE HIS 6 -11.157 -2.689 -0.897 53 H LEU 7 H LEU 7 -8.407 -1.415 0.954 54 HA LEU 7 HA LEU 7 -5.912 -2.430 -0.176 55 HB2 LEU 7 2HB LEU 7 -7.073 -4.674 0.345 56 HB3 LEU 7 1HB LEU 7 -6.670 -3.628 1.707 57 HG LEU 7 HG LEU 7 -9.288 -3.012 0.566 58 HD11 LEU 7 1HD1 LEU 7 -8.750 -5.788 1.656 59 HD12 LEU 7 2HD1 LEU 7 -9.400 -5.378 0.069 60 HD13 LEU 7 3HD1 LEU 7 -10.361 -5.084 1.518 61 HD21 LEU 7 3HD2 LEU 7 -9.594 -3.810 3.198 62 HD22 LEU 7 1HD2 LEU 7 -9.217 -2.170 2.672 63 HD23 LEU 7 2HD2 LEU 7 -7.919 -3.262 3.154 64 H GLY 8 H GLY 8 -5.952 -4.250 -1.675 65 HA2 GLY 8 2HA GLY 8 -6.530 -5.341 -3.651 66 HA3 GLY 8 1HA GLY 8 -8.133 -4.624 -3.533 67 H THR 9 H THR 9 -7.445 -4.587 -6.002 68 HA THR 9 HA THR 9 -5.762 -2.259 -6.677 69 HB THR 9 HB THR 9 -7.208 -4.302 -8.381 70 HG1 THR 9 1HG THR 9 -4.737 -4.444 -8.867 71 HG21 THR 9 3HG2 THR 9 -5.319 -2.101 -9.258 72 HG22 THR 9 1HG2 THR 9 -7.070 -2.050 -9.464 73 HG23 THR 9 2HG2 THR 9 -6.120 -3.280 -10.299 74 H LYS 10 H LYS 10 -9.124 -3.053 -6.348 75 HA LYS 10 HA LYS 10 -10.386 -1.241 -8.079 76 HB2 LYS 10 2HB LYS 10 -11.353 -1.308 -5.242 77 HB3 LYS 10 1HB LYS 10 -12.272 -1.448 -6.737 78 HG2 LYS 10 2HG LYS 10 -10.918 -3.705 -6.992 79 HG3 LYS 10 1HG LYS 10 -10.776 -3.561 -5.240 80 HD2 LYS 10 2HD LYS 10 -13.347 -3.593 -6.846 81 HD3 LYS 10 1HD LYS 10 -12.772 -4.851 -5.752 82 HE2 LYS 10 2HE LYS 10 -12.876 -3.232 -3.868 83 HE3 LYS 10 1HE LYS 10 -13.522 -2.017 -4.972 84 HZ1 LYS 10 3HZ LYS 10 -15.479 -3.198 -5.258 85 HZ2 LYS 10 1HZ LYS 10 -15.158 -3.402 -3.604 86 HZ3 LYS 10 2HZ LYS 10 -14.812 -4.656 -4.696 87 HA PRO 11 HA PRO 11 -9.255 2.779 -6.731 88 HB2 PRO 11 2HB PRO 11 -11.643 4.144 -6.600 89 HB3 PRO 11 1HB PRO 11 -10.833 3.710 -8.115 90 HG2 PRO 11 2HG PRO 11 -13.237 2.473 -6.848 91 HG3 PRO 11 1HG PRO 11 -12.792 2.563 -8.561 92 HD2 PRO 11 2HD PRO 11 -12.500 0.303 -6.916 93 HD3 PRO 11 1HD PRO 11 -11.702 0.540 -8.485 94 HA PRO 12 HA PRO 12 -10.037 2.339 -2.299 95 HB2 PRO 12 2HB PRO 12 -7.499 3.086 -1.575 96 HB3 PRO 12 1HB PRO 12 -7.914 1.449 -2.107 97 HG2 PRO 12 2HG PRO 12 -6.374 3.520 -3.513 98 HG3 PRO 12 1HG PRO 12 -6.422 1.781 -3.803 99 HD2 PRO 12 2HD PRO 12 -7.793 3.833 -5.296 100 HD3 PRO 12 1HD PRO 12 -7.860 2.080 -5.553 101 H THR 13 H THR 13 -9.089 4.030 -0.429 102 HA THR 13 HA THR 13 -9.840 6.744 -1.454 103 HB THR 13 HB THR 13 -10.674 7.245 0.752 104 HG1 THR 13 1HG THR 13 -9.414 4.804 1.402 105 HG21 THR 13 3HG2 THR 13 -11.495 4.450 -0.091 106 HG22 THR 13 1HG2 THR 13 -12.215 5.962 -0.645 107 HG23 THR 13 2HG2 THR 13 -12.394 5.465 1.037 108 H THR 14 H THR 14 -8.050 8.021 -1.636 109 HA THR 14 HA THR 14 -5.504 7.345 -0.708 110 HB THR 14 HB THR 14 -5.073 9.899 -0.788 111 HG1 THR 14 1HG THR 14 -7.394 10.018 -2.297 112 HG21 THR 14 3HG2 THR 14 -6.186 8.655 -3.296 113 HG22 THR 14 1HG2 THR 14 -4.679 8.101 -2.566 114 HG23 THR 14 2HG2 THR 14 -4.823 9.765 -3.133 115 H GLU 15 H GLU 15 -4.247 8.093 1.021 116 HA GLU 15 HA GLU 15 -5.717 9.212 3.355 117 HB2 GLU 15 2HB GLU 15 -5.420 6.589 3.285 118 HB3 GLU 15 1HB GLU 15 -3.772 6.965 3.781 119 HG2 GLU 15 2HG GLU 15 -5.293 6.566 5.718 120 HG3 GLU 15 1HG GLU 15 -4.604 8.192 5.722 121 H THR 16 H THR 16 -4.594 11.062 3.694 122 HA THR 16 HA THR 16 -1.895 11.450 2.822 123 HB THR 16 HB THR 16 -2.412 13.305 4.889 124 HG1 THR 16 1HG THR 16 -4.704 13.227 3.319 125 HG21 THR 16 3HG2 THR 16 -2.965 14.800 2.908 126 HG22 THR 16 1HG2 THR 16 -2.804 13.366 1.894 127 HG23 THR 16 2HG2 THR 16 -1.419 13.956 2.814 128 H CYS 17 H CYS 17 0.001 11.089 3.844 129 HA CYS 17 HA CYS 17 -0.007 10.482 6.761 130 HB2 CYS 17 2HB CYS 17 1.286 8.813 4.581 131 HB3 CYS 17 1HB CYS 17 1.610 8.616 6.304 132 H GLN 18 H GLN 18 2.482 10.352 7.437 133 HA GLN 18 HA GLN 18 3.682 12.828 6.382 134 HB2 GLN 18 2HB GLN 18 3.726 12.376 8.813 135 HB3 GLN 18 1HB GLN 18 4.708 10.947 8.518 136 HG2 GLN 18 2HG GLN 18 6.076 12.976 9.096 137 HG3 GLN 18 1HG GLN 18 6.474 12.273 7.536 138 HE21 GLN 18 1HE2 GLN 18 5.577 13.369 5.571 139 HE22 GLN 18 2HE2 GLN 18 5.148 15.009 5.632 140 H GLU 19 H GLU 19 4.341 9.386 6.512 141 HA GLU 19 HA GLU 19 6.959 9.552 5.355 142 HB2 GLU 19 2HB GLU 19 5.378 7.163 4.623 143 HB3 GLU 19 1HB GLU 19 6.972 7.270 5.364 144 HG2 GLU 19 2HG GLU 19 4.287 7.539 6.732 145 HG3 GLU 19 1HG GLU 19 5.535 6.329 7.029 146 H ASP 20 H ASP 20 7.515 10.001 3.310 147 HA ASP 20 HA ASP 20 5.433 10.583 1.363 148 HB2 ASP 20 2HB ASP 20 7.889 10.499 -0.028 149 HB3 ASP 20 1HB ASP 20 7.026 11.930 0.521 150 H SER 21 H SER 21 7.075 7.815 2.324 151 HA SER 21 HA SER 21 7.065 6.489 -0.270 152 HB2 SER 21 2HB SER 21 7.129 4.788 2.123 153 HB3 SER 21 1HB SER 21 8.270 4.885 0.785 154 HG SER 21 HG SER 21 9.347 6.448 1.797 155 H CYS 22 H CYS 22 5.413 5.119 -1.024 156 HA CYS 22 HA CYS 22 3.017 4.861 0.742 157 HB2 CYS 22 2HB CYS 22 3.036 4.849 -2.291 158 HB3 CYS 22 1HB CYS 22 1.631 4.919 -1.235 159 H TYR 23 H TYR 23 2.847 2.746 1.379 160 HA TYR 23 HA TYR 23 4.134 0.773 -0.415 161 HB2 TYR 23 2HB TYR 23 4.631 -0.598 1.379 162 HB3 TYR 23 1HB TYR 23 4.847 0.995 2.064 163 HD1 TYR 23 1HD TYR 23 2.151 1.897 2.753 164 HD2 TYR 23 2HD TYR 23 3.856 -2.030 2.974 165 HE1 TYR 23 1HE TYR 23 0.563 1.312 4.561 166 HE2 TYR 23 2HE TYR 23 2.257 -2.623 4.775 167 HH TYR 23 HH TYR 23 -0.125 -1.750 5.481 168 H LYS 24 H LYS 24 3.065 -0.613 -1.440 169 HA LYS 24 HA LYS 24 0.275 -1.296 -0.608 170 HB2 LYS 24 2HB LYS 24 -0.166 0.049 -2.434 171 HB3 LYS 24 1HB LYS 24 1.300 -0.398 -3.279 172 HG2 LYS 24 2HG LYS 24 0.008 -2.800 -3.202 173 HG3 LYS 24 1HG LYS 24 -1.357 -1.687 -3.262 174 HD2 LYS 24 2HD LYS 24 0.928 -1.151 -5.098 175 HD3 LYS 24 1HD LYS 24 -0.123 -2.514 -5.487 176 HE2 LYS 24 2HE LYS 24 -1.941 -0.555 -4.834 177 HE3 LYS 24 1HE LYS 24 -0.669 0.373 -5.627 178 HZ1 LYS 24 3HZ LYS 24 -2.103 -0.336 -7.323 179 HZ2 LYS 24 1HZ LYS 24 -2.205 -1.914 -6.710 180 HZ3 LYS 24 2HZ LYS 24 -0.760 -1.371 -7.421 181 H ASN 25 H ASN 25 0.458 -3.352 0.036 182 HA ASN 25 HA ASN 25 2.287 -5.139 -1.488 183 HB2 ASN 25 2HB ASN 25 2.023 -6.388 0.914 184 HB3 ASN 25 1HB ASN 25 3.268 -5.201 0.574 185 HD21 ASN 25 1HD2 ASN 25 2.345 -2.777 0.906 186 HD22 ASN 25 2HD2 ASN 25 1.468 -2.555 2.339 187 H ILE 26 H ILE 26 1.680 -7.484 -1.370 188 HA ILE 26 HA ILE 26 -1.269 -7.749 -1.736 189 HB ILE 26 HB ILE 26 -0.852 -9.485 -3.305 190 HG12 ILE 26 2HG1 ILE 26 0.994 -10.542 -1.883 191 HG13 ILE 26 1HG1 ILE 26 1.229 -10.605 -3.624 192 HG21 ILE 26 1HG2 ILE 26 -0.182 -8.071 -4.913 193 HG22 ILE 26 2HG2 ILE 26 1.451 -7.995 -4.256 194 HG23 ILE 26 3HG2 ILE 26 0.201 -6.917 -3.637 195 HD11 ILE 26 3HD1 ILE 26 2.718 -9.047 -1.567 196 HD12 ILE 26 1HD1 ILE 26 2.483 -8.276 -3.133 197 HD13 ILE 26 2HD1 ILE 26 3.307 -9.828 -3.031 198 H TRP 27 H TRP 27 1.541 -9.207 -0.174 199 HA TRP 27 HA TRP 27 0.083 -11.488 0.872 200 HB2 TRP 27 2HB TRP 27 2.148 -11.020 2.688 201 HB3 TRP 27 1HB TRP 27 2.213 -12.113 1.309 202 HD1 TRP 27 HD TRP 27 3.726 -11.454 -0.691 203 HE1 TRP 27 1HE TRP 27 5.320 -9.475 -1.159 204 HE3 TRP 27 3HE TRP 27 2.475 -8.369 3.182 205 HZ2 TRP 27 2HZ TRP 27 5.960 -6.943 -0.050 206 HZ3 TRP 27 3HZ TRP 27 3.601 -6.177 3.450 207 HH2 TRP 27 HH TRP 27 5.344 -5.463 1.836 208 H THR 28 H THR 28 -1.411 -11.431 2.473 209 HA THR 28 HA THR 28 -1.053 -9.633 4.755 210 HB THR 28 HB THR 28 -2.092 -8.210 2.977 211 HG1 THR 28 1HG THR 28 -4.098 -7.890 4.450 212 HG21 THR 28 3HG2 THR 28 -3.679 -9.152 1.698 213 HG22 THR 28 1HG2 THR 28 -4.756 -9.113 3.095 214 HG23 THR 28 2HG2 THR 28 -3.778 -10.546 2.775 215 H PHE 29 H PHE 29 -4.152 -9.865 5.035 216 HA PHE 29 HA PHE 29 -4.225 -12.008 6.823 217 HB2 PHE 29 2HB PHE 29 -5.990 -10.256 6.606 218 HB3 PHE 29 1HB PHE 29 -6.548 -11.056 5.138 219 HD1 PHE 29 1HD PHE 29 -5.223 -12.823 8.127 220 HD2 PHE 29 2HD PHE 29 -8.732 -11.707 5.910 221 HE1 PHE 29 1HE PHE 29 -6.583 -14.386 9.488 222 HE2 PHE 29 2HE PHE 29 -10.089 -13.271 7.272 223 HZ PHE 29 HZ PHE 29 -9.014 -14.611 9.062 224 H ASP 30 H ASP 30 -5.570 -12.114 3.505 225 HA ASP 30 HA ASP 30 -4.792 -14.993 3.470 226 HB2 ASP 30 2HB ASP 30 -7.428 -13.866 2.479 227 HB3 ASP 30 1HB ASP 30 -6.922 -15.554 2.391 228 H ASN 31 H ASN 31 -6.485 -12.873 1.152 229 HA ASN 31 HA ASN 31 -4.097 -12.880 -0.588 230 HB2 ASN 31 2HB ASN 31 -5.599 -13.747 -2.511 231 HB3 ASN 31 1HB ASN 31 -4.968 -14.923 -1.358 232 HD21 ASN 31 1HD2 ASN 31 -6.471 -15.970 0.071 233 HD22 ASN 31 2HD2 ASN 31 -8.151 -15.763 -0.060 234 H ILE 32 H ILE 32 -4.436 -10.529 -0.075 235 HA ILE 32 HA ILE 32 -6.109 -9.330 -2.185 236 HB ILE 32 HB ILE 32 -6.978 -7.616 -0.478 237 HG12 ILE 32 2HG1 ILE 32 -5.395 -8.530 1.317 238 HG13 ILE 32 1HG1 ILE 32 -7.058 -8.233 1.816 239 HG21 ILE 32 1HG2 ILE 32 -8.912 -9.031 0.080 240 HG22 ILE 32 2HG2 ILE 32 -7.984 -10.473 -0.331 241 HG23 ILE 32 3HG2 ILE 32 -8.401 -9.305 -1.586 242 HD11 ILE 32 3HD1 ILE 32 -5.595 -10.697 1.900 243 HD12 ILE 32 1HD1 ILE 32 -6.940 -10.888 0.780 244 HD13 ILE 32 2HD1 ILE 32 -7.242 -10.385 2.441 245 H ILE 33 H ILE 33 -5.762 -6.711 -1.786 246 HA ILE 33 HA ILE 33 -2.813 -6.408 -1.415 247 HB ILE 33 HB ILE 33 -4.435 -4.591 -3.164 248 HG12 ILE 33 2HG1 ILE 33 -4.900 -6.963 -3.809 249 HG13 ILE 33 1HG1 ILE 33 -4.057 -6.055 -5.063 250 HG21 ILE 33 1HG2 ILE 33 -1.563 -5.560 -3.282 251 HG22 ILE 33 2HG2 ILE 33 -2.084 -4.030 -2.576 252 HG23 ILE 33 3HG2 ILE 33 -2.286 -4.319 -4.304 253 HD11 ILE 33 3HD1 ILE 33 -2.545 -7.737 -5.061 254 HD12 ILE 33 1HD1 ILE 33 -3.171 -8.398 -3.550 255 HD13 ILE 33 2HD1 ILE 33 -1.992 -7.086 -3.517 256 H ARG 34 H ARG 34 -2.109 -4.351 -0.459 257 HA ARG 34 HA ARG 34 -4.337 -2.719 0.619 258 HB2 ARG 34 2HB ARG 34 -3.400 -4.437 2.337 259 HB3 ARG 34 1HB ARG 34 -2.056 -3.294 2.454 260 HG2 ARG 34 2HG ARG 34 -3.444 -1.542 3.208 261 HG3 ARG 34 1HG ARG 34 -4.890 -2.306 2.577 262 HD2 ARG 34 2HD ARG 34 -5.081 -2.708 4.874 263 HD3 ARG 34 1HD ARG 34 -4.354 -4.202 4.287 264 HE ARG 34 HE ARG 34 -2.118 -3.071 4.972 265 HH11 ARG 34 1HH2 ARG 34 -4.113 -4.210 7.122 266 HH12 ARG 34 2HH2 ARG 34 -3.926 -3.001 8.349 267 HH21 ARG 34 1HH1 ARG 34 -2.329 -0.743 6.262 268 HH22 ARG 34 2HH1 ARG 34 -2.918 -1.042 7.862 269 H ARG 35 H ARG 35 -3.990 -0.854 -0.266 270 HA ARG 35 HA ARG 35 -1.302 0.202 -0.777 271 HB2 ARG 35 2HB ARG 35 -4.026 1.455 -1.144 272 HB3 ARG 35 1HB ARG 35 -2.524 2.075 -1.798 273 HG2 ARG 35 2HG ARG 35 -2.584 0.621 -3.538 274 HG3 ARG 35 1HG ARG 35 -2.951 -0.735 -2.476 275 HD2 ARG 35 2HD ARG 35 -5.104 -0.682 -3.116 276 HD3 ARG 35 1HD ARG 35 -5.236 1.000 -2.602 277 HE ARG 35 HE ARG 35 -4.767 1.691 -4.853 278 HH11 ARG 35 1HH1 ARG 35 -3.546 -1.435 -4.569 279 HH12 ARG 35 2HH1 ARG 35 -4.012 -1.942 -6.157 280 HH21 ARG 35 1HH2 ARG 35 -5.857 0.923 -6.811 281 HH22 ARG 35 2HH2 ARG 35 -5.331 -0.608 -7.427 282 H GLY 36 H GLY 36 -0.241 1.286 0.821 283 HA2 GLY 36 2HA GLY 36 -1.843 2.944 2.707 284 HA3 GLY 36 1HA GLY 36 -0.670 1.802 3.346 285 H CYS 37 H CYS 37 0.392 3.697 4.298 286 HA CYS 37 HA CYS 37 2.114 5.141 2.331 287 HB2 CYS 37 2HB CYS 37 2.080 6.938 4.278 288 HB3 CYS 37 1HB CYS 37 0.780 6.898 3.088 289 H GLY 38 H GLY 38 4.269 4.719 2.717 290 HA2 GLY 38 2HA GLY 38 6.186 4.505 4.174 291 HA3 GLY 38 1HA GLY 38 5.093 4.162 5.522 292 H CYS 39 H CYS 39 7.376 2.543 4.356 293 HA CYS 39 HA CYS 39 6.243 0.351 2.934 294 HB2 CYS 39 2HB CYS 39 8.754 0.609 4.529 295 HB3 CYS 39 1HB CYS 39 8.302 -0.906 3.768 296 H PHE 40 H PHE 40 5.936 -1.735 3.604 297 HA PHE 40 HA PHE 40 4.216 -2.063 5.858 298 HB2 PHE 40 2HB PHE 40 4.446 -4.556 5.284 299 HB3 PHE 40 1HB PHE 40 3.830 -3.529 3.997 300 HD1 PHE 40 1HD PHE 40 5.667 -2.539 2.345 301 HD2 PHE 40 2HD PHE 40 6.238 -5.966 4.860 302 HE1 PHE 40 1HE PHE 40 7.598 -3.210 0.982 303 HE2 PHE 40 2HE PHE 40 8.147 -6.664 3.452 304 HZ PHE 40 HZ PHE 40 8.840 -5.289 1.519 305 H THR 41 H THR 41 4.678 -3.879 7.526 306 HA THR 41 HA THR 41 7.021 -3.097 8.993 307 HB THR 41 HB THR 41 5.587 -5.596 9.722 308 HG1 THR 41 1HG THR 41 4.448 -3.044 10.115 309 HG21 THR 41 3HG2 THR 41 6.687 -3.155 11.108 310 HG22 THR 41 1HG2 THR 41 7.206 -4.831 11.275 311 HG23 THR 41 2HG2 THR 41 5.658 -4.318 11.943 312 HA PRO 42 HA PRO 42 8.680 -7.441 8.014 313 HB2 PRO 42 2HB PRO 42 7.421 -8.866 6.024 314 HB3 PRO 42 1HB PRO 42 6.995 -8.969 7.741 315 HG2 PRO 42 2HG PRO 42 5.532 -7.623 5.528 316 HG3 PRO 42 1HG PRO 42 4.913 -8.237 7.069 317 HD2 PRO 42 2HD PRO 42 5.480 -5.527 6.431 318 HD3 PRO 42 1HD PRO 42 5.089 -6.157 8.040 319 H ARG 43 H ARG 43 9.280 -4.992 6.710 320 HA ARG 43 HA ARG 43 9.646 -5.039 3.930 321 HB2 ARG 43 2HB ARG 43 10.256 -3.029 4.958 322 HB3 ARG 43 1HB ARG 43 11.235 -3.829 6.180 323 HG2 ARG 43 2HG ARG 43 12.960 -4.330 4.569 324 HG3 ARG 43 1HG ARG 43 11.936 -3.804 3.232 325 HD2 ARG 43 2HD ARG 43 12.352 -1.594 3.612 326 HD3 ARG 43 1HD ARG 43 12.347 -1.793 5.364 327 HE ARG 43 HE ARG 43 14.691 -1.675 3.773 328 HH11 ARG 43 1HH1 ARG 43 14.856 -4.578 4.215 329 HH12 ARG 43 2HH1 ARG 43 15.635 -4.698 5.757 330 HH21 ARG 43 1HH2 ARG 43 15.006 -1.401 6.628 331 HH22 ARG 43 2HH2 ARG 43 15.717 -2.901 7.124 332 H GLY 44 H GLY 44 11.368 -5.765 2.601 333 HA2 GLY 44 2HA GLY 44 13.737 -6.972 3.285 334 HA3 GLY 44 1HA GLY 44 12.547 -8.258 3.470 335 H ASP 45 H ASP 45 14.171 -8.987 1.612 336 HA ASP 45 HA ASP 45 13.491 -7.844 -1.017 337 HB2 ASP 45 2HB ASP 45 15.786 -8.508 -0.724 338 HB3 ASP 45 1HB ASP 45 15.309 -10.103 -0.144 339 H MET 46 H MET 46 12.820 -10.753 0.880 340 HA MET 46 HA MET 46 11.746 -12.477 -0.995 341 HB2 MET 46 2HB MET 46 11.570 -12.174 1.806 342 HB3 MET 46 1HB MET 46 9.914 -12.349 1.221 343 HG2 MET 46 2HG MET 46 12.161 -14.190 0.369 344 HG3 MET 46 1HG MET 46 11.115 -14.530 1.746 345 HE1 MET 46 3HE MET 46 9.068 -15.038 1.886 346 HE2 MET 46 1HE MET 46 8.059 -15.826 0.665 347 HE3 MET 46 2HE MET 46 7.956 -14.084 0.908 348 HA PRO 47 HA PRO 47 7.607 -10.112 -0.981 349 HB2 PRO 47 2HB PRO 47 7.538 -7.715 0.381 350 HB3 PRO 47 1HB PRO 47 7.119 -9.278 1.094 351 HG2 PRO 47 2HG PRO 47 9.536 -7.606 1.509 352 HG3 PRO 47 1HG PRO 47 8.847 -8.856 2.558 353 HD2 PRO 47 2HD PRO 47 11.091 -9.127 0.824 354 HD3 PRO 47 1HD PRO 47 10.297 -10.427 1.729 355 H GLY 48 H GLY 48 6.878 -8.664 -2.543 356 HA2 GLY 48 2HA GLY 48 8.769 -6.616 -3.541 357 HA3 GLY 48 1HA GLY 48 8.089 -7.780 -4.675 358 HA PRO 49 HA PRO 49 4.330 -5.264 -3.115 359 HB2 PRO 49 2HB PRO 49 4.767 -3.454 -1.084 360 HB3 PRO 49 1HB PRO 49 4.380 -5.159 -0.821 361 HG2 PRO 49 2HG PRO 49 6.981 -3.769 -0.528 362 HG3 PRO 49 1HG PRO 49 6.374 -5.211 0.298 363 HD2 PRO 49 2HD PRO 49 8.208 -5.189 -1.850 364 HD3 PRO 49 1HD PRO 49 7.340 -6.604 -1.224 365 H TYR 50 H TYR 50 4.076 -2.467 -2.503 366 HA TYR 50 HA TYR 50 5.695 -1.275 -4.715 367 HB2 TYR 50 2HB TYR 50 2.975 -1.668 -4.754 368 HB3 TYR 50 1HB TYR 50 3.099 -0.006 -4.176 369 HD1 TYR 50 2HD TYR 50 5.619 0.856 -5.494 370 HD2 TYR 50 1HD TYR 50 2.308 -1.417 -7.021 371 HE1 TYR 50 2HE TYR 50 6.157 1.616 -7.791 372 HE2 TYR 50 1HE TYR 50 2.846 -0.656 -9.320 373 HH TYR 50 HH TYR 50 5.796 1.014 -10.054 374 H CYS 51 H CYS 51 7.099 -0.755 -2.737 375 HA CYS 51 HA CYS 51 6.136 1.443 -0.988 376 HB2 CYS 51 2HB CYS 51 8.606 -0.227 -1.255 377 HB3 CYS 51 1HB CYS 51 8.800 1.402 -0.608 378 H CYS 52 H CYS 52 6.050 3.468 -1.982 379 HA CYS 52 HA CYS 52 8.416 4.283 -3.594 380 HB2 CYS 52 2HB CYS 52 6.243 5.540 -4.860 381 HB3 CYS 52 1HB CYS 52 7.291 4.305 -5.534 382 H GLU 53 H GLU 53 8.941 6.439 -3.397 383 HA GLU 53 HA GLU 53 7.588 7.888 -1.243 384 HB2 GLU 53 2HB GLU 53 9.754 9.141 -2.860 385 HB3 GLU 53 1HB GLU 53 9.454 9.205 -1.122 386 HG2 GLU 53 2HG GLU 53 10.056 6.746 -1.026 387 HG3 GLU 53 1HG GLU 53 10.605 6.893 -2.695 388 H SER 54 H SER 54 6.200 7.421 -3.851 389 HA SER 54 HA SER 54 5.825 10.253 -4.704 390 HB2 SER 54 2HB SER 54 4.491 8.262 -6.357 391 HB3 SER 54 1HB SER 54 5.658 9.495 -6.827 392 HG SER 54 HG SER 54 6.029 6.880 -6.565 393 H ASP 55 H ASP 55 3.757 11.142 -4.477 394 HA ASP 55 HA ASP 55 2.013 9.874 -2.579 395 HB2 ASP 55 2HB ASP 55 1.110 12.086 -4.408 396 HB3 ASP 55 1HB ASP 55 0.667 11.788 -2.730 397 H LYS 56 H LYS 56 -0.050 8.979 -2.911 398 HA LYS 56 HA LYS 56 -1.566 7.580 -4.027 399 HB2 LYS 56 2HB LYS 56 -1.070 9.427 -6.373 400 HB3 LYS 56 1HB LYS 56 -2.539 8.520 -6.007 401 HG2 LYS 56 2HG LYS 56 -2.791 9.831 -3.909 402 HG3 LYS 56 1HG LYS 56 -1.378 10.785 -4.362 403 HD2 LYS 56 2HD LYS 56 -2.675 11.205 -6.587 404 HD3 LYS 56 1HD LYS 56 -4.092 10.702 -5.663 405 HE2 LYS 56 2HE LYS 56 -3.941 12.510 -4.194 406 HE3 LYS 56 1HE LYS 56 -2.224 12.755 -4.513 407 HZ1 LYS 56 3HZ LYS 56 -4.534 13.716 -5.975 408 HZ2 LYS 56 1HZ LYS 56 -3.257 13.151 -6.936 409 HZ3 LYS 56 2HZ LYS 56 -2.985 14.397 -5.813 410 H CYS 57 H CYS 57 1.330 6.901 -4.217 411 HA CYS 57 HA CYS 57 1.748 5.950 -6.943 412 HB2 CYS 57 2HB CYS 57 3.712 6.460 -5.649 413 HB3 CYS 57 1HB CYS 57 3.192 5.397 -4.339 414 H ASN 58 H ASN 58 0.266 4.621 -4.047 415 HA ASN 58 HA ASN 58 0.380 1.926 -5.186 416 HB2 ASN 58 2HB ASN 58 -1.078 1.482 -3.040 417 HB3 ASN 58 1HB ASN 58 0.660 1.708 -2.911 418 HD21 ASN 58 1HD2 ASN 58 0.089 2.383 -0.614 419 HD22 ASN 58 2HD2 ASN 58 -0.429 3.985 -0.346 420 H LEU 59 H LEU 59 -0.935 2.924 -7.062 421 HA LEU 59 HA LEU 59 -3.826 2.493 -6.461 422 HB2 LEU 59 2HB LEU 59 -2.875 4.923 -7.102 423 HB3 LEU 59 1HB LEU 59 -3.060 4.275 -8.726 424 HG LEU 59 HG LEU 59 -5.095 5.495 -7.865 425 HD11 LEU 59 1HD1 LEU 59 -5.448 2.538 -8.431 426 HD12 LEU 59 2HD1 LEU 59 -5.233 3.789 -9.654 427 HD13 LEU 59 3HD1 LEU 59 -6.677 3.783 -8.641 428 HD21 LEU 59 3HD2 LEU 59 -6.295 4.747 -6.031 429 HD22 LEU 59 1HD2 LEU 59 -4.667 4.313 -5.514 430 HD23 LEU 59 2HD2 LEU 59 -5.725 3.087 -6.204 Start of MODEL 6 1 H1 ARG 1 1HT ARG 1 1.610 12.242 4.706 2 H2 ARG 1 2HT ARG 1 2.294 13.795 4.599 3 H3 ARG 1 3HT ARG 1 3.265 12.417 4.381 4 HA ARG 1 HA ARG 1 2.014 13.876 2.429 5 HB2 ARG 1 2HB ARG 1 4.044 12.128 2.600 6 HB3 ARG 1 1HB ARG 1 2.829 11.064 1.890 7 HG2 ARG 1 2HG ARG 1 2.577 13.445 0.455 8 HG3 ARG 1 1HG ARG 1 4.317 13.239 0.654 9 HD2 ARG 1 2HD ARG 1 3.574 10.692 0.036 10 HD3 ARG 1 1HD ARG 1 2.393 11.608 -0.894 11 HE ARG 1 HE ARG 1 4.759 11.202 -1.997 12 HH11 ARG 1 1HH1 ARG 1 3.107 14.046 -1.228 13 HH12 ARG 1 2HH1 ARG 1 4.410 15.107 -1.638 14 HH21 ARG 1 1HH2 ARG 1 6.704 12.557 -2.111 15 HH22 ARG 1 2HH2 ARG 1 6.440 14.269 -2.136 16 H ILE 2 H ILE 2 1.008 12.070 0.530 17 HA ILE 2 HA ILE 2 -1.463 11.027 1.880 18 HB ILE 2 HB ILE 2 -1.228 12.412 -0.804 19 HG12 ILE 2 2HG1 ILE 2 -3.202 13.568 0.803 20 HG13 ILE 2 1HG1 ILE 2 -1.876 13.203 1.905 21 HG21 ILE 2 1HG2 ILE 2 -3.905 12.079 -0.289 22 HG22 ILE 2 2HG2 ILE 2 -3.239 10.573 0.345 23 HG23 ILE 2 3HG2 ILE 2 -2.958 11.022 -1.337 24 HD11 ILE 2 3HD1 ILE 2 -1.701 14.819 -0.649 25 HD12 ILE 2 1HD1 ILE 2 -0.306 14.336 0.318 26 HD13 ILE 2 2HD1 ILE 2 -1.515 15.425 0.997 27 H CYS 3 H CYS 3 -1.445 8.822 1.698 28 HA CYS 3 HA CYS 3 -0.642 7.817 -0.980 29 HB2 CYS 3 2HB CYS 3 -0.075 6.491 1.683 30 HB3 CYS 3 1HB CYS 3 0.209 5.737 0.121 31 H TYR 4 H TYR 4 -1.628 5.639 -1.503 32 HA TYR 4 HA TYR 4 -4.475 5.763 -0.936 33 HB2 TYR 4 2HB TYR 4 -2.722 3.880 -2.518 34 HB3 TYR 4 1HB TYR 4 -4.436 3.541 -2.266 35 HD1 TYR 4 1HD TYR 4 -5.874 5.928 -2.490 36 HD2 TYR 4 2HD TYR 4 -2.295 4.843 -4.601 37 HE1 TYR 4 1HE TYR 4 -6.460 7.513 -4.302 38 HE2 TYR 4 2HE TYR 4 -2.881 6.434 -6.407 39 HH TYR 4 HH TYR 4 -4.559 7.691 -7.273 40 H ASN 5 H ASN 5 -5.674 4.346 0.387 41 HA ASN 5 HA ASN 5 -3.995 2.658 2.182 42 HB2 ASN 5 2HB ASN 5 -4.856 4.146 3.674 43 HB3 ASN 5 1HB ASN 5 -6.252 4.517 2.667 44 HD21 ASN 5 1HD2 ASN 5 -5.033 1.468 4.159 45 HD22 ASN 5 2HD2 ASN 5 -6.513 1.058 4.872 46 H HIS 6 H HIS 6 -6.778 2.515 0.013 47 HA HIS 6 HA HIS 6 -7.881 0.167 1.237 48 HB2 HIS 6 2HB HIS 6 -8.935 1.748 -0.587 49 HB3 HIS 6 1HB HIS 6 -8.311 0.507 -1.660 50 HD1 HIS 6 1HD HIS 6 -10.181 0.479 1.674 51 HD2 HIS 6 2HD HIS 6 -10.174 -1.455 -2.026 52 HE1 HIS 6 1HE HIS 6 -12.040 -1.241 1.761 53 H LEU 7 H LEU 7 -8.169 -1.877 -0.066 54 HA LEU 7 HA LEU 7 -5.465 -2.793 -0.887 55 HB2 LEU 7 2HB LEU 7 -6.493 -5.102 -0.424 56 HB3 LEU 7 1HB LEU 7 -6.201 -4.069 0.976 57 HG LEU 7 HG LEU 7 -8.834 -3.733 -0.347 58 HD11 LEU 7 1HD1 LEU 7 -8.417 -6.223 -0.378 59 HD12 LEU 7 2HD1 LEU 7 -9.795 -5.734 0.608 60 HD13 LEU 7 3HD1 LEU 7 -8.266 -6.159 1.377 61 HD21 LEU 7 3HD2 LEU 7 -7.583 -3.564 2.343 62 HD22 LEU 7 1HD2 LEU 7 -9.276 -4.058 2.308 63 HD23 LEU 7 2HD2 LEU 7 -8.792 -2.519 1.597 64 H GLY 8 H GLY 8 -5.947 -5.013 -2.197 65 HA2 GLY 8 2HA GLY 8 -6.015 -5.124 -4.698 66 HA3 GLY 8 1HA GLY 8 -7.398 -5.956 -4.010 67 H THR 9 H THR 9 -9.277 -4.121 -3.505 68 HA THR 9 HA THR 9 -10.454 -3.468 -5.913 69 HB THR 9 HB THR 9 -10.699 -1.386 -3.788 70 HG1 THR 9 1HG THR 9 -12.203 -3.238 -2.929 71 HG21 THR 9 3HG2 THR 9 -12.329 -1.115 -5.406 72 HG22 THR 9 1HG2 THR 9 -13.178 -2.186 -4.291 73 HG23 THR 9 2HG2 THR 9 -12.427 -2.844 -5.745 74 H LYS 10 H LYS 10 -9.826 -2.255 -7.570 75 HA LYS 10 HA LYS 10 -7.513 -0.782 -7.775 76 HB2 LYS 10 2HB LYS 10 -9.837 -1.132 -9.394 77 HB3 LYS 10 1HB LYS 10 -9.351 0.564 -9.441 78 HG2 LYS 10 2HG LYS 10 -7.469 -1.766 -9.904 79 HG3 LYS 10 1HG LYS 10 -8.212 -0.811 -11.188 80 HD2 LYS 10 2HD LYS 10 -7.120 1.208 -10.397 81 HD3 LYS 10 1HD LYS 10 -6.488 0.357 -8.986 82 HE2 LYS 10 2HE LYS 10 -4.787 -0.573 -10.162 83 HE3 LYS 10 1HE LYS 10 -5.819 -0.927 -11.548 84 HZ1 LYS 10 3HZ LYS 10 -4.471 0.690 -12.402 85 HZ2 LYS 10 1HZ LYS 10 -4.309 1.511 -10.927 86 HZ3 LYS 10 2HZ LYS 10 -5.748 1.649 -11.821 87 HA PRO 11 HA PRO 11 -9.652 3.334 -6.626 88 HB2 PRO 11 2HB PRO 11 -12.335 3.244 -6.044 89 HB3 PRO 11 1HB PRO 11 -11.709 3.469 -7.687 90 HG2 PRO 11 2HG PRO 11 -12.910 1.024 -6.453 91 HG3 PRO 11 1HG PRO 11 -12.911 1.542 -8.147 92 HD2 PRO 11 2HD PRO 11 -11.211 -0.432 -7.052 93 HD3 PRO 11 1HD PRO 11 -10.983 0.395 -8.602 94 HA PRO 12 HA PRO 12 -9.649 1.805 -2.346 95 HB2 PRO 12 2HB PRO 12 -7.292 3.025 -1.662 96 HB3 PRO 12 1HB PRO 12 -7.332 1.498 -2.553 97 HG2 PRO 12 2HG PRO 12 -6.545 4.140 -3.485 98 HG3 PRO 12 1HG PRO 12 -6.267 2.578 -4.254 99 HD2 PRO 12 2HD PRO 12 -8.335 4.552 -4.875 100 HD3 PRO 12 1HD PRO 12 -7.939 3.069 -5.753 101 H THR 13 H THR 13 -8.540 3.492 -0.385 102 HA THR 13 HA THR 13 -9.959 6.094 -0.740 103 HB THR 13 HB THR 13 -10.668 6.031 1.567 104 HG1 THR 13 1HG THR 13 -9.406 3.496 1.697 105 HG21 THR 13 3HG2 THR 13 -12.431 4.952 0.629 106 HG22 THR 13 1HG2 THR 13 -11.765 3.511 1.397 107 HG23 THR 13 2HG2 THR 13 -11.387 3.867 -0.289 108 H THR 14 H THR 14 -8.242 7.480 -0.897 109 HA THR 14 HA THR 14 -5.622 6.988 -0.164 110 HB THR 14 HB THR 14 -5.370 9.498 0.123 111 HG1 THR 14 1HG THR 14 -8.123 9.351 -0.560 112 HG21 THR 14 3HG2 THR 14 -6.615 9.561 -2.390 113 HG22 THR 14 1HG2 THR 14 -6.074 7.897 -2.168 114 HG23 THR 14 2HG2 THR 14 -4.919 9.223 -2.046 115 H GLU 15 H GLU 15 -4.335 7.800 1.605 116 HA GLU 15 HA GLU 15 -5.746 8.270 4.161 117 HB2 GLU 15 2HB GLU 15 -5.586 5.829 4.079 118 HB3 GLU 15 1HB GLU 15 -3.866 5.931 3.699 119 HG2 GLU 15 2HG GLU 15 -4.444 5.466 6.144 120 HG3 GLU 15 1HG GLU 15 -3.344 6.815 5.855 121 H THR 16 H THR 16 -4.753 10.189 4.581 122 HA THR 16 HA THR 16 -2.079 10.824 3.786 123 HB THR 16 HB THR 16 -2.662 12.463 5.974 124 HG1 THR 16 1HG THR 16 -4.814 12.832 5.890 125 HG21 THR 16 3HG2 THR 16 -1.867 13.259 3.826 126 HG22 THR 16 1HG2 THR 16 -3.381 14.078 4.206 127 HG23 THR 16 2HG2 THR 16 -3.364 12.751 3.044 128 H CYS 17 H CYS 17 -0.180 10.430 4.765 129 HA CYS 17 HA CYS 17 -0.140 9.601 7.626 130 HB2 CYS 17 2HB CYS 17 1.258 8.176 5.337 131 HB3 CYS 17 1HB CYS 17 1.544 7.848 7.045 132 H GLN 18 H GLN 18 2.599 9.259 7.882 133 HA GLN 18 HA GLN 18 3.533 12.008 7.266 134 HB2 GLN 18 2HB GLN 18 3.832 11.154 9.570 135 HB3 GLN 18 1HB GLN 18 4.859 9.868 8.942 136 HG2 GLN 18 2HG GLN 18 6.147 11.889 9.746 137 HG3 GLN 18 1HG GLN 18 6.453 11.453 8.072 138 HE21 GLN 18 1HE2 GLN 18 5.363 12.771 6.370 139 HE22 GLN 18 2HE2 GLN 18 4.820 14.341 6.711 140 H GLU 19 H GLU 19 4.362 8.646 6.750 141 HA GLU 19 HA GLU 19 6.850 9.167 5.428 142 HB2 GLU 19 2HB GLU 19 5.476 6.822 4.355 143 HB3 GLU 19 1HB GLU 19 7.018 6.925 5.190 144 HG2 GLU 19 2HG GLU 19 4.277 6.832 6.483 145 HG3 GLU 19 1HG GLU 19 5.503 5.567 6.519 146 H ASP 20 H ASP 20 7.206 10.012 3.472 147 HA ASP 20 HA ASP 20 4.974 10.740 1.755 148 HB2 ASP 20 2HB ASP 20 7.529 10.852 0.376 149 HB3 ASP 20 1HB ASP 20 6.434 12.166 0.789 150 H SER 21 H SER 21 6.716 7.927 2.254 151 HA SER 21 HA SER 21 6.578 6.975 -0.496 152 HB2 SER 21 2HB SER 21 7.250 5.568 2.095 153 HB3 SER 21 1HB SER 21 7.350 4.809 0.511 154 HG SER 21 HG SER 21 8.844 6.966 1.563 155 H CYS 22 H CYS 22 5.300 4.884 -0.913 156 HA CYS 22 HA CYS 22 2.887 4.642 0.817 157 HB2 CYS 22 2HB CYS 22 2.645 4.721 -2.195 158 HB3 CYS 22 1HB CYS 22 1.363 4.835 -0.996 159 H TYR 23 H TYR 23 2.386 2.426 1.064 160 HA TYR 23 HA TYR 23 4.035 0.645 -0.651 161 HB2 TYR 23 2HB TYR 23 4.051 -0.980 1.027 162 HB3 TYR 23 1HB TYR 23 4.235 0.521 1.899 163 HD1 TYR 23 1HD TYR 23 1.640 -1.914 0.739 164 HD2 TYR 23 2HD TYR 23 2.691 1.031 3.682 165 HE1 TYR 23 1HE TYR 23 -0.358 -2.512 2.065 166 HE2 TYR 23 2HE TYR 23 0.691 0.435 4.997 167 HH TYR 23 HH TYR 23 -1.646 -0.637 4.404 168 H LYS 24 H LYS 24 3.201 -0.810 -1.902 169 HA LYS 24 HA LYS 24 0.322 -1.507 -1.694 170 HB2 LYS 24 2HB LYS 24 0.860 0.300 -3.493 171 HB3 LYS 24 1HB LYS 24 1.580 -1.038 -4.371 172 HG2 LYS 24 2HG LYS 24 -0.664 -2.259 -3.766 173 HG3 LYS 24 1HG LYS 24 -1.269 -0.609 -3.633 174 HD2 LYS 24 2HD LYS 24 0.185 -0.481 -5.945 175 HD3 LYS 24 1HD LYS 24 -0.472 -2.116 -6.021 176 HE2 LYS 24 2HE LYS 24 -2.653 -0.683 -5.175 177 HE3 LYS 24 1HE LYS 24 -1.855 0.476 -6.238 178 HZ1 LYS 24 3HZ LYS 24 -2.758 -2.267 -6.902 179 HZ2 LYS 24 1HZ LYS 24 -1.712 -1.381 -7.899 180 HZ3 LYS 24 2HZ LYS 24 -3.281 -0.806 -7.590 181 H ASN 25 H ASN 25 0.911 -3.507 -0.922 182 HA ASN 25 HA ASN 25 2.940 -5.052 -2.401 183 HB2 ASN 25 2HB ASN 25 1.544 -6.223 -0.045 184 HB3 ASN 25 1HB ASN 25 3.250 -6.269 -0.474 185 HD21 ASN 25 1HD2 ASN 25 3.355 -3.270 -0.859 186 HD22 ASN 25 2HD2 ASN 25 3.309 -2.630 0.709 187 H ILE 26 H ILE 26 2.493 -7.229 -3.119 188 HA ILE 26 HA ILE 26 -0.139 -7.427 -4.361 189 HB ILE 26 HB ILE 26 0.726 -9.291 -5.547 190 HG12 ILE 26 2HG1 ILE 26 1.646 -10.375 -3.407 191 HG13 ILE 26 1HG1 ILE 26 2.571 -10.622 -4.883 192 HG21 ILE 26 1HG2 ILE 26 3.046 -8.472 -6.218 193 HG22 ILE 26 2HG2 ILE 26 2.854 -7.230 -4.980 194 HG23 ILE 26 3HG2 ILE 26 1.740 -7.292 -6.346 195 HD11 ILE 26 3HD1 ILE 26 3.264 -9.068 -2.454 196 HD12 ILE 26 1HD1 ILE 26 3.750 -8.349 -3.985 197 HD13 ILE 26 2HD1 ILE 26 4.311 -9.960 -3.556 198 H TRP 27 H TRP 27 1.432 -8.741 -1.542 199 HA TRP 27 HA TRP 27 -0.989 -10.436 -1.102 200 HB2 TRP 27 2HB TRP 27 0.756 -11.471 0.681 201 HB3 TRP 27 1HB TRP 27 0.558 -12.102 -0.951 202 HD1 TRP 27 HD TRP 27 2.550 -9.064 0.431 203 HE1 TRP 27 1HE TRP 27 4.949 -9.200 -0.514 204 HE3 TRP 27 3HE TRP 27 2.209 -13.408 -2.231 205 HZ2 TRP 27 2HZ TRP 27 6.515 -10.930 -2.166 206 HZ3 TRP 27 3HZ TRP 27 4.166 -14.279 -3.474 207 HH2 TRP 27 HH TRP 27 6.318 -13.048 -3.445 208 H THR 28 H THR 28 -1.371 -10.777 1.335 209 HA THR 28 HA THR 28 -0.503 -8.589 3.076 210 HB THR 28 HB THR 28 -3.351 -8.792 2.075 211 HG1 THR 28 1HG THR 28 -2.935 -6.870 1.176 212 HG21 THR 28 3HG2 THR 28 -3.668 -6.793 3.639 213 HG22 THR 28 1HG2 THR 28 -2.144 -7.267 4.389 214 HG23 THR 28 2HG2 THR 28 -3.521 -8.368 4.417 215 H PHE 29 H PHE 29 -1.650 -8.843 5.281 216 HA PHE 29 HA PHE 29 -1.342 -11.427 6.301 217 HB2 PHE 29 2HB PHE 29 -2.753 -8.974 7.196 218 HB3 PHE 29 1HB PHE 29 -3.275 -10.477 7.960 219 HD1 PHE 29 1HD PHE 29 -0.768 -12.048 7.962 220 HD2 PHE 29 2HD PHE 29 -1.442 -7.897 8.838 221 HE1 PHE 29 1HE PHE 29 1.258 -12.021 9.389 222 HE2 PHE 29 2HE PHE 29 0.586 -7.871 10.267 223 HZ PHE 29 HZ PHE 29 1.936 -9.932 10.542 224 H ASP 30 H ASP 30 -4.429 -9.901 5.290 225 HA ASP 30 HA ASP 30 -5.461 -12.664 4.805 226 HB2 ASP 30 2HB ASP 30 -6.326 -11.360 6.924 227 HB3 ASP 30 1HB ASP 30 -7.311 -10.496 5.742 228 H ASN 31 H ASN 31 -4.985 -9.499 3.594 229 HA ASN 31 HA ASN 31 -7.071 -9.878 1.502 230 HB2 ASN 31 2HB ASN 31 -5.314 -7.454 1.966 231 HB3 ASN 31 1HB ASN 31 -6.771 -7.543 0.976 232 HD21 ASN 31 1HD2 ASN 31 -5.576 -7.195 4.252 233 HD22 ASN 31 2HD2 ASN 31 -7.092 -7.009 4.992 234 H ILE 32 H ILE 32 -6.072 -8.715 -0.688 235 HA ILE 32 HA ILE 32 -3.698 -10.404 -1.312 236 HB ILE 32 HB ILE 32 -5.145 -8.992 -3.496 237 HG12 ILE 32 2HG1 ILE 32 -7.038 -9.663 -2.107 238 HG13 ILE 32 1HG1 ILE 32 -6.928 -10.753 -3.490 239 HG21 ILE 32 1HG2 ILE 32 -4.894 -11.361 -4.451 240 HG22 ILE 32 2HG2 ILE 32 -3.943 -11.722 -3.010 241 HG23 ILE 32 3HG2 ILE 32 -3.401 -10.477 -4.136 242 HD11 ILE 32 3HD1 ILE 32 -5.337 -11.629 -1.181 243 HD12 ILE 32 1HD1 ILE 32 -6.462 -12.545 -2.183 244 HD13 ILE 32 2HD1 ILE 32 -7.069 -11.555 -0.855 245 H ILE 33 H ILE 33 -4.842 -7.330 -2.752 246 HA ILE 33 HA ILE 33 -2.041 -6.359 -2.566 247 HB ILE 33 HB ILE 33 -4.155 -4.819 -3.998 248 HG12 ILE 33 2HG1 ILE 33 -4.512 -7.223 -4.576 249 HG13 ILE 33 1HG1 ILE 33 -4.003 -6.248 -5.956 250 HG21 ILE 33 1HG2 ILE 33 -1.211 -5.376 -4.298 251 HG22 ILE 33 2HG2 ILE 33 -2.027 -3.824 -4.105 252 HG23 ILE 33 3HG2 ILE 33 -2.145 -4.699 -5.632 253 HD11 ILE 33 3HD1 ILE 33 -1.805 -7.107 -5.892 254 HD12 ILE 33 1HD1 ILE 33 -2.816 -8.519 -5.586 255 HD13 ILE 33 2HD1 ILE 33 -1.997 -7.714 -4.247 256 H ARG 34 H ARG 34 -1.563 -4.388 -1.462 257 HA ARG 34 HA ARG 34 -3.875 -2.952 -0.348 258 HB2 ARG 34 2HB ARG 34 -2.995 -4.807 1.271 259 HB3 ARG 34 1HB ARG 34 -1.765 -3.592 1.636 260 HG2 ARG 34 2HG ARG 34 -3.278 -2.139 2.562 261 HG3 ARG 34 1HG ARG 34 -4.548 -2.603 1.453 262 HD2 ARG 34 2HD ARG 34 -5.430 -4.007 2.978 263 HD3 ARG 34 1HD ARG 34 -3.890 -4.850 3.133 264 HE ARG 34 HE ARG 34 -3.268 -3.129 4.852 265 HH11 ARG 34 1HH2 ARG 34 -6.100 -1.918 3.750 266 HH12 ARG 34 2HH2 ARG 34 -6.949 -1.941 5.260 267 HH21 ARG 34 1HH1 ARG 34 -4.555 -3.852 6.884 268 HH22 ARG 34 2HH1 ARG 34 -6.076 -3.034 7.032 269 H ARG 35 H ARG 35 -3.588 -0.992 -0.909 270 HA ARG 35 HA ARG 35 -0.966 0.266 -1.240 271 HB2 ARG 35 2HB ARG 35 -3.652 1.625 -1.331 272 HB3 ARG 35 1HB ARG 35 -2.186 2.076 -2.186 273 HG2 ARG 35 2HG ARG 35 -2.665 0.694 -3.909 274 HG3 ARG 35 1HG ARG 35 -3.043 -0.643 -2.828 275 HD2 ARG 35 2HD ARG 35 -5.239 0.628 -2.343 276 HD3 ARG 35 1HD ARG 35 -4.857 1.556 -3.791 277 HE ARG 35 HE ARG 35 -5.697 -1.252 -3.715 278 HH11 ARG 35 1HH1 ARG 35 -4.076 1.270 -5.436 279 HH12 ARG 35 2HH1 ARG 35 -4.359 0.565 -6.989 280 HH21 ARG 35 1HH2 ARG 35 -6.069 -2.178 -5.734 281 HH22 ARG 35 2HH2 ARG 35 -5.474 -1.393 -7.159 282 H GLY 36 H GLY 36 0.004 1.387 0.396 283 HA2 GLY 36 2HA GLY 36 -1.690 2.599 2.514 284 HA3 GLY 36 1HA GLY 36 -0.396 1.512 2.999 285 H CYS 37 H CYS 37 0.567 3.320 4.124 286 HA CYS 37 HA CYS 37 1.959 5.246 2.304 287 HB2 CYS 37 2HB CYS 37 2.066 6.542 4.665 288 HB3 CYS 37 1HB CYS 37 0.728 6.748 3.537 289 H GLY 38 H GLY 38 4.111 4.724 2.209 290 HA2 GLY 38 2HA GLY 38 6.289 4.366 3.104 291 HA3 GLY 38 1HA GLY 38 5.567 4.157 4.705 292 H CYS 39 H CYS 39 7.454 2.282 3.398 293 HA CYS 39 HA CYS 39 6.022 0.085 2.257 294 HB2 CYS 39 2HB CYS 39 8.488 -0.151 3.969 295 HB3 CYS 39 1HB CYS 39 7.991 -1.224 2.670 296 H PHE 40 H PHE 40 5.347 -1.932 3.324 297 HA PHE 40 HA PHE 40 3.934 -1.411 5.767 298 HB2 PHE 40 2HB PHE 40 3.567 -3.924 5.786 299 HB3 PHE 40 1HB PHE 40 3.025 -3.078 4.348 300 HD1 PHE 40 2HD PHE 40 6.589 -3.183 4.439 301 HD2 PHE 40 1HD PHE 40 3.126 -5.540 3.500 302 HE1 PHE 40 2HE PHE 40 7.978 -4.644 3.014 303 HE2 PHE 40 1HE PHE 40 4.521 -7.007 2.072 304 HZ PHE 40 HZ PHE 40 6.946 -6.574 1.842 305 H THR 41 H THR 41 4.194 -2.843 7.759 306 HA THR 41 HA THR 41 6.835 -2.376 8.825 307 HB THR 41 HB THR 41 4.765 -4.041 10.220 308 HG1 THR 41 1HG THR 41 3.447 -2.433 10.092 309 HG21 THR 41 3HG2 THR 41 7.100 -2.339 10.916 310 HG22 THR 41 1HG2 THR 41 6.525 -3.825 11.671 311 HG23 THR 41 2HG2 THR 41 5.725 -2.292 12.020 312 HA PRO 42 HA PRO 42 7.190 -7.111 8.918 313 HB2 PRO 42 2HB PRO 42 5.319 -8.569 7.524 314 HB3 PRO 42 1HB PRO 42 5.138 -8.108 9.225 315 HG2 PRO 42 2HG PRO 42 3.728 -7.038 6.846 316 HG3 PRO 42 1HG PRO 42 3.251 -6.981 8.550 317 HD2 PRO 42 2HD PRO 42 4.432 -4.880 7.006 318 HD3 PRO 42 1HD PRO 42 4.057 -4.837 8.738 319 H ARG 43 H ARG 43 8.229 -5.366 6.983 320 HA ARG 43 HA ARG 43 8.042 -6.455 4.311 321 HB2 ARG 43 2HB ARG 43 9.802 -4.929 3.751 322 HB3 ARG 43 1HB ARG 43 8.807 -4.107 4.948 323 HG2 ARG 43 2HG ARG 43 10.632 -5.511 6.498 324 HG3 ARG 43 1HG ARG 43 11.598 -4.951 5.132 325 HD2 ARG 43 2HD ARG 43 11.189 -2.698 5.595 326 HD3 ARG 43 1HD ARG 43 9.714 -3.048 6.496 327 HE ARG 43 HE ARG 43 11.484 -4.181 8.143 328 HH11 ARG 43 1HH1 ARG 43 10.663 -1.081 7.830 329 HH12 ARG 43 2HH1 ARG 43 12.183 -0.381 8.276 330 HH21 ARG 43 1HH2 ARG 43 13.923 -3.374 8.070 331 HH22 ARG 43 2HH2 ARG 43 14.030 -1.679 8.412 332 H GLY 44 H GLY 44 10.853 -6.570 3.690 333 HA2 GLY 44 2HA GLY 44 12.664 -8.043 4.915 334 HA3 GLY 44 1HA GLY 44 11.408 -9.264 4.741 335 H ASP 45 H ASP 45 13.514 -10.080 3.467 336 HA ASP 45 HA ASP 45 13.653 -8.977 0.736 337 HB2 ASP 45 2HB ASP 45 15.388 -10.492 2.428 338 HB3 ASP 45 1HB ASP 45 15.079 -11.445 0.975 339 H MET 46 H MET 46 11.698 -11.166 2.358 340 HA MET 46 HA MET 46 11.393 -13.095 0.189 341 HB2 MET 46 2HB MET 46 10.473 -12.819 2.922 342 HB3 MET 46 1HB MET 46 9.142 -13.261 1.854 343 HG2 MET 46 2HG MET 46 11.814 -14.688 1.874 344 HG3 MET 46 1HG MET 46 10.409 -15.233 2.789 345 HE1 MET 46 3HE MET 46 9.807 -17.891 0.358 346 HE2 MET 46 1HE MET 46 10.194 -17.328 1.990 347 HE3 MET 46 2HE MET 46 11.460 -17.447 0.771 348 HA PRO 47 HA PRO 47 7.384 -10.612 -0.505 349 HB2 PRO 47 2HB PRO 47 7.022 -8.341 0.987 350 HB3 PRO 47 1HB PRO 47 6.466 -9.946 1.486 351 HG2 PRO 47 2HG PRO 47 8.743 -8.350 2.529 352 HG3 PRO 47 1HG PRO 47 7.844 -9.661 3.312 353 HD2 PRO 47 2HD PRO 47 10.410 -9.847 2.070 354 HD3 PRO 47 1HD PRO 47 9.437 -11.193 2.695 355 H GLY 48 H GLY 48 7.018 -9.000 -2.026 356 HA2 GLY 48 2HA GLY 48 9.095 -6.930 -2.381 357 HA3 GLY 48 1HA GLY 48 8.697 -7.975 -3.743 358 HA PRO 49 HA PRO 49 4.712 -5.439 -2.607 359 HB2 PRO 49 2HB PRO 49 5.199 -3.245 -1.023 360 HB3 PRO 49 1HB PRO 49 4.717 -4.828 -0.387 361 HG2 PRO 49 2HG PRO 49 7.457 -3.597 -0.494 362 HG3 PRO 49 1HG PRO 49 6.727 -4.576 0.774 363 HD2 PRO 49 2HD PRO 49 8.504 -5.633 -1.023 364 HD3 PRO 49 1HD PRO 49 7.202 -6.591 -0.301 365 H TYR 50 H TYR 50 4.405 -2.706 -2.641 366 HA TYR 50 HA TYR 50 6.222 -1.794 -4.825 367 HB2 TYR 50 2HB TYR 50 3.577 -2.446 -5.191 368 HB3 TYR 50 1HB TYR 50 3.475 -0.717 -4.858 369 HD1 TYR 50 1HD TYR 50 5.282 -3.228 -6.954 370 HD2 TYR 50 2HD TYR 50 4.033 0.860 -6.523 371 HE1 TYR 50 1HE TYR 50 6.080 -2.741 -9.251 372 HE2 TYR 50 2HE TYR 50 4.830 1.346 -8.820 373 HH TYR 50 HH TYR 50 6.870 -0.128 -10.405 374 H CYS 51 H CYS 51 7.241 -0.885 -2.732 375 HA CYS 51 HA CYS 51 5.867 1.317 -1.377 376 HB2 CYS 51 2HB CYS 51 8.205 -0.140 -0.925 377 HB3 CYS 51 1HB CYS 51 8.776 1.462 -1.400 378 H CYS 52 H CYS 52 5.602 3.272 -2.265 379 HA CYS 52 HA CYS 52 7.515 4.125 -4.411 380 HB2 CYS 52 2HB CYS 52 5.329 3.590 -5.387 381 HB3 CYS 52 1HB CYS 52 4.542 4.700 -4.274 382 H GLU 53 H GLU 53 7.707 6.478 -4.580 383 HA GLU 53 HA GLU 53 7.204 7.783 -1.945 384 HB2 GLU 53 2HB GLU 53 9.420 8.669 -3.759 385 HB3 GLU 53 1HB GLU 53 9.272 8.827 -2.006 386 HG2 GLU 53 2HG GLU 53 9.710 6.521 -1.646 387 HG3 GLU 53 1HG GLU 53 9.505 6.139 -3.355 388 H SER 54 H SER 54 5.127 8.121 -3.268 389 HA SER 54 HA SER 54 5.113 10.907 -4.129 390 HB2 SER 54 2HB SER 54 3.717 9.505 -6.201 391 HB3 SER 54 1HB SER 54 5.097 10.586 -6.362 392 HG SER 54 HG SER 54 6.450 8.816 -5.961 393 H ASP 55 H ASP 55 2.877 11.703 -4.140 394 HA ASP 55 HA ASP 55 1.214 10.260 -2.287 395 HB2 ASP 55 2HB ASP 55 0.113 12.402 -4.080 396 HB3 ASP 55 1HB ASP 55 -0.235 12.079 -2.383 397 H LYS 56 H LYS 56 -0.853 9.287 -2.712 398 HA LYS 56 HA LYS 56 -2.031 7.607 -3.902 399 HB2 LYS 56 2HB LYS 56 -3.034 8.571 -6.033 400 HB3 LYS 56 1HB LYS 56 -3.302 9.532 -4.580 401 HG2 LYS 56 2HG LYS 56 -1.412 10.982 -5.183 402 HG3 LYS 56 1HG LYS 56 -1.114 10.013 -6.623 403 HD2 LYS 56 2HD LYS 56 -3.611 10.522 -7.189 404 HD3 LYS 56 1HD LYS 56 -3.434 11.836 -6.025 405 HE2 LYS 56 2HE LYS 56 -1.381 11.477 -8.191 406 HE3 LYS 56 1HE LYS 56 -2.905 12.288 -8.552 407 HZ1 LYS 56 3HZ LYS 56 -1.045 13.042 -6.364 408 HZ2 LYS 56 1HZ LYS 56 -2.484 13.841 -6.770 409 HZ3 LYS 56 2HZ LYS 56 -1.177 13.845 -7.855 410 H CYS 57 H CYS 57 0.854 7.428 -4.249 411 HA CYS 57 HA CYS 57 1.321 6.939 -7.101 412 HB2 CYS 57 2HB CYS 57 3.078 7.783 -5.510 413 HB3 CYS 57 1HB CYS 57 3.070 6.194 -4.747 414 H ASN 58 H ASN 58 0.028 5.108 -4.505 415 HA ASN 58 HA ASN 58 0.823 2.581 -5.800 416 HB2 ASN 58 2HB ASN 58 -0.472 1.620 -3.730 417 HB3 ASN 58 1HB ASN 58 1.151 2.275 -3.527 418 HD21 ASN 58 1HD2 ASN 58 -0.072 2.361 -1.210 419 HD22 ASN 58 2HD2 ASN 58 -0.756 3.874 -0.847 420 H LEU 59 H LEU 59 -0.785 3.643 -7.545 421 HA LEU 59 HA LEU 59 -3.478 2.461 -6.987 422 HB2 LEU 59 2HB LEU 59 -3.007 5.078 -7.597 423 HB3 LEU 59 1HB LEU 59 -3.251 4.405 -9.205 424 HG LEU 59 HG LEU 59 -5.377 5.195 -8.146 425 HD11 LEU 59 1HD1 LEU 59 -5.180 2.196 -8.565 426 HD12 LEU 59 2HD1 LEU 59 -5.379 3.393 -9.844 427 HD13 LEU 59 3HD1 LEU 59 -6.658 3.154 -8.654 428 HD21 LEU 59 3HD2 LEU 59 -5.708 2.921 -6.387 429 HD22 LEU 59 1HD2 LEU 59 -5.879 4.637 -6.018 430 HD23 LEU 59 2HD2 LEU 59 -4.299 3.863 -5.900 Start of MODEL 7 1 H1 ARG 1 1HT ARG 1 3.380 12.032 2.853 2 H2 ARG 1 2HT ARG 1 2.164 10.848 2.936 3 H3 ARG 1 3HT ARG 1 2.240 12.076 4.108 4 HA ARG 1 HA ARG 1 1.281 13.623 2.791 5 HB2 ARG 1 2HB ARG 1 1.665 13.807 0.435 6 HB3 ARG 1 1HB ARG 1 3.205 13.340 1.145 7 HG2 ARG 1 2HG ARG 1 1.513 11.041 0.403 8 HG3 ARG 1 1HG ARG 1 1.999 12.032 -0.960 9 HD2 ARG 1 2HD ARG 1 3.952 11.127 1.109 10 HD3 ARG 1 1HD ARG 1 3.557 10.121 -0.271 11 HE ARG 1 HE ARG 1 4.943 11.504 -1.550 12 HH11 ARG 1 1HH1 ARG 1 5.409 12.715 1.438 13 HH12 ARG 1 2HH1 ARG 1 5.563 14.376 0.979 14 HH21 ARG 1 1HH2 ARG 1 4.432 13.869 -2.256 15 HH22 ARG 1 2HH2 ARG 1 5.010 15.030 -1.107 16 H ILE 2 H ILE 2 0.087 12.656 0.115 17 HA ILE 2 HA ILE 2 -2.114 11.111 1.391 18 HB ILE 2 HB ILE 2 -1.939 12.414 -1.337 19 HG12 ILE 2 2HG1 ILE 2 -3.925 13.558 0.297 20 HG13 ILE 2 1HG1 ILE 2 -2.514 13.332 1.333 21 HG21 ILE 2 1HG2 ILE 2 -3.449 10.490 -1.341 22 HG22 ILE 2 2HG2 ILE 2 -4.405 11.972 -1.339 23 HG23 ILE 2 3HG2 ILE 2 -4.207 11.049 0.150 24 HD11 ILE 2 3HD1 ILE 2 -1.391 15.005 0.315 25 HD12 ILE 2 1HD1 ILE 2 -2.907 15.427 -0.480 26 HD13 ILE 2 2HD1 ILE 2 -1.758 14.357 -1.283 27 H CYS 3 H CYS 3 -1.250 8.997 1.433 28 HA CYS 3 HA CYS 3 -0.409 7.965 -1.213 29 HB2 CYS 3 2HB CYS 3 -0.079 6.780 1.562 30 HB3 CYS 3 1HB CYS 3 0.363 5.935 0.086 31 H TYR 4 H TYR 4 -1.199 5.529 -1.526 32 HA TYR 4 HA TYR 4 -4.120 5.672 -1.318 33 HB2 TYR 4 2HB TYR 4 -2.173 3.806 -2.629 34 HB3 TYR 4 1HB TYR 4 -3.814 3.246 -2.329 35 HD1 TYR 4 1HD TYR 4 -5.747 4.362 -3.376 36 HD2 TYR 4 2HD TYR 4 -1.719 5.570 -4.238 37 HE1 TYR 4 1HE TYR 4 -6.547 5.614 -5.363 38 HE2 TYR 4 2HE TYR 4 -2.516 6.822 -6.224 39 HH TYR 4 HH TYR 4 -5.367 7.846 -6.726 40 H ASN 5 H ASN 5 -5.368 4.482 0.070 41 HA ASN 5 HA ASN 5 -3.947 2.844 2.110 42 HB2 ASN 5 2HB ASN 5 -4.956 4.619 3.283 43 HB3 ASN 5 1HB ASN 5 -6.362 4.645 2.228 44 HD21 ASN 5 1HD2 ASN 5 -5.012 1.659 3.616 45 HD22 ASN 5 2HD2 ASN 5 -6.348 1.319 4.606 46 H HIS 6 H HIS 6 -6.538 3.071 -0.206 47 HA HIS 6 HA HIS 6 -8.115 0.914 0.528 48 HB2 HIS 6 2HB HIS 6 -9.068 1.091 -1.588 49 HB3 HIS 6 1HB HIS 6 -8.252 2.640 -1.489 50 HD1 HIS 6 1HD HIS 6 -7.106 3.144 -3.622 51 HD2 HIS 6 2HD HIS 6 -6.968 -0.934 -2.773 52 HE1 HIS 6 1HE HIS 6 -5.822 2.060 -5.515 53 H LEU 7 H LEU 7 -7.887 -1.289 0.455 54 HA LEU 7 HA LEU 7 -5.272 -2.287 -0.532 55 HB2 LEU 7 2HB LEU 7 -6.506 -4.417 0.760 56 HB3 LEU 7 1HB LEU 7 -5.278 -3.367 1.460 57 HG LEU 7 HG LEU 7 -7.211 -1.807 2.113 58 HD11 LEU 7 1HD1 LEU 7 -9.380 -2.468 1.833 59 HD12 LEU 7 2HD1 LEU 7 -9.003 -4.168 2.106 60 HD13 LEU 7 3HD1 LEU 7 -8.702 -3.441 0.528 61 HD21 LEU 7 3HD2 LEU 7 -7.895 -3.978 3.784 62 HD22 LEU 7 1HD2 LEU 7 -6.677 -2.740 4.095 63 HD23 LEU 7 2HD2 LEU 7 -6.218 -4.250 3.307 64 H GLY 8 H GLY 8 -5.168 -3.804 -2.129 65 HA2 GLY 8 2HA GLY 8 -6.128 -5.563 -3.518 66 HA3 GLY 8 1HA GLY 8 -7.732 -4.929 -3.151 67 H THR 9 H THR 9 -8.522 -4.369 -5.118 68 HA THR 9 HA THR 9 -6.756 -2.948 -7.014 69 HB THR 9 HB THR 9 -9.112 -3.129 -8.325 70 HG1 THR 9 1HG THR 9 -10.095 -5.056 -7.709 71 HG21 THR 9 3HG2 THR 9 -8.134 -4.905 -9.501 72 HG22 THR 9 1HG2 THR 9 -7.406 -5.592 -8.048 73 HG23 THR 9 2HG2 THR 9 -6.739 -4.121 -8.759 74 H LYS 10 H LYS 10 -10.169 -2.282 -7.042 75 HA LYS 10 HA LYS 10 -9.523 0.493 -6.154 76 HB2 LYS 10 2HB LYS 10 -11.070 1.346 -7.793 77 HB3 LYS 10 1HB LYS 10 -9.945 0.247 -8.593 78 HG2 LYS 10 2HG LYS 10 -12.304 -1.128 -7.537 79 HG3 LYS 10 1HG LYS 10 -12.710 0.100 -8.737 80 HD2 LYS 10 2HD LYS 10 -10.384 -1.375 -9.602 81 HD3 LYS 10 1HD LYS 10 -11.696 -2.494 -9.225 82 HE2 LYS 10 2HE LYS 10 -12.802 -0.251 -10.621 83 HE3 LYS 10 1HE LYS 10 -11.409 -0.839 -11.532 84 HZ1 LYS 10 3HZ LYS 10 -12.721 -2.452 -12.266 85 HZ2 LYS 10 1HZ LYS 10 -13.968 -2.029 -11.197 86 HZ3 LYS 10 2HZ LYS 10 -12.744 -3.092 -10.692 87 HA PRO 11 HA PRO 11 -13.651 -0.953 -4.255 88 HB2 PRO 11 2HB PRO 11 -12.980 -2.468 -2.043 89 HB3 PRO 11 1HB PRO 11 -13.558 -3.092 -3.592 90 HG2 PRO 11 2HG PRO 11 -10.790 -3.166 -2.499 91 HG3 PRO 11 1HG PRO 11 -11.535 -4.160 -3.747 92 HD2 PRO 11 2HD PRO 11 -9.746 -1.996 -4.193 93 HD3 PRO 11 1HD PRO 11 -10.702 -2.861 -5.412 94 HA PRO 12 HA PRO 12 -12.460 1.339 -0.273 95 HB2 PRO 12 2HB PRO 12 -9.849 1.174 0.580 96 HB3 PRO 12 1HB PRO 12 -11.151 0.108 1.118 97 HG2 PRO 12 2HG PRO 12 -8.956 -0.485 -0.834 98 HG3 PRO 12 1HG PRO 12 -9.841 -1.579 0.230 99 HD2 PRO 12 2HD PRO 12 -10.302 -1.283 -2.510 100 HD3 PRO 12 1HD PRO 12 -11.429 -1.993 -1.346 101 H THR 13 H THR 13 -10.241 3.115 0.304 102 HA THR 13 HA THR 13 -9.737 4.359 -2.366 103 HB THR 13 HB THR 13 -11.811 5.338 -1.474 104 HG1 THR 13 1HG THR 13 -10.163 7.455 -1.025 105 HG21 THR 13 3HG2 THR 13 -10.703 6.885 0.674 106 HG22 THR 13 1HG2 THR 13 -10.385 5.177 0.982 107 HG23 THR 13 2HG2 THR 13 -12.039 5.734 0.726 108 H THR 14 H THR 14 -8.598 6.698 -1.711 109 HA THR 14 HA THR 14 -5.994 5.925 -0.680 110 HB THR 14 HB THR 14 -5.447 8.351 -1.111 111 HG1 THR 14 1HG THR 14 -7.081 9.619 -1.340 112 HG21 THR 14 3HG2 THR 14 -5.998 8.089 -3.653 113 HG22 THR 14 1HG2 THR 14 -6.567 6.488 -3.176 114 HG23 THR 14 2HG2 THR 14 -4.889 6.952 -2.883 115 H GLU 15 H GLU 15 -4.883 7.620 0.808 116 HA GLU 15 HA GLU 15 -6.607 8.793 2.874 117 HB2 GLU 15 2HB GLU 15 -6.106 7.401 4.650 118 HB3 GLU 15 1HB GLU 15 -6.064 6.217 3.350 119 HG2 GLU 15 2HG GLU 15 -4.014 5.739 4.281 120 HG3 GLU 15 1HG GLU 15 -3.502 7.069 3.244 121 H THR 16 H THR 16 -4.985 9.730 4.684 122 HA THR 16 HA THR 16 -2.634 10.831 3.184 123 HB THR 16 HB THR 16 -3.742 12.249 5.567 124 HG1 THR 16 1HG THR 16 -5.620 12.270 4.613 125 HG21 THR 16 3HG2 THR 16 -2.318 13.801 4.806 126 HG22 THR 16 1HG2 THR 16 -3.201 13.879 3.282 127 HG23 THR 16 2HG2 THR 16 -1.876 12.731 3.476 128 H CYS 17 H CYS 17 -0.653 10.775 4.207 129 HA CYS 17 HA CYS 17 -0.530 9.750 6.998 130 HB2 CYS 17 2HB CYS 17 -0.125 8.158 4.758 131 HB3 CYS 17 1HB CYS 17 1.504 8.597 5.266 132 H GLN 18 H GLN 18 2.017 9.607 7.527 133 HA GLN 18 HA GLN 18 3.061 12.320 6.954 134 HB2 GLN 18 2HB GLN 18 2.963 11.526 9.303 135 HB3 GLN 18 1HB GLN 18 4.089 10.238 8.890 136 HG2 GLN 18 2HG GLN 18 5.243 12.238 9.854 137 HG3 GLN 18 1HG GLN 18 5.780 11.852 8.224 138 HE21 GLN 18 1HE2 GLN 18 4.840 13.180 6.421 139 HE22 GLN 18 2HE2 GLN 18 4.278 14.751 6.739 140 H GLU 19 H GLU 19 4.025 8.923 6.742 141 HA GLU 19 HA GLU 19 6.682 9.452 5.802 142 HB2 GLU 19 2HB GLU 19 5.500 7.016 4.658 143 HB3 GLU 19 1HB GLU 19 6.935 7.191 5.654 144 HG2 GLU 19 2HG GLU 19 5.140 7.680 7.556 145 HG3 GLU 19 1HG GLU 19 4.100 6.735 6.488 146 H ASP 20 H ASP 20 7.342 10.191 3.879 147 HA ASP 20 HA ASP 20 5.454 10.907 1.838 148 HB2 ASP 20 2HB ASP 20 7.880 10.828 0.499 149 HB3 ASP 20 1HB ASP 20 7.193 12.237 1.296 150 H SER 21 H SER 21 6.921 7.986 2.656 151 HA SER 21 HA SER 21 6.912 6.899 -0.043 152 HB2 SER 21 2HB SER 21 6.994 4.867 1.989 153 HB3 SER 21 1HB SER 21 8.263 5.352 0.870 154 HG SER 21 HG SER 21 8.700 5.647 3.181 155 H CYS 22 H CYS 22 5.539 4.977 -0.583 156 HA CYS 22 HA CYS 22 3.048 4.738 1.026 157 HB2 CYS 22 2HB CYS 22 2.925 4.832 -1.988 158 HB3 CYS 22 1HB CYS 22 1.610 5.003 -0.836 159 H TYR 23 H TYR 23 2.875 2.527 1.434 160 HA TYR 23 HA TYR 23 4.324 0.794 -0.494 161 HB2 TYR 23 2HB TYR 23 4.735 -0.788 1.162 162 HB3 TYR 23 1HB TYR 23 4.962 0.736 1.979 163 HD1 TYR 23 1HD TYR 23 1.805 1.268 2.139 164 HD2 TYR 23 2HD TYR 23 4.365 -2.009 3.210 165 HE1 TYR 23 1HE TYR 23 0.174 0.529 3.858 166 HE2 TYR 23 2HE TYR 23 2.716 -2.726 4.925 167 HH TYR 23 HH TYR 23 -0.450 -1.408 5.087 168 H LYS 24 H LYS 24 3.466 -0.821 -1.506 169 HA LYS 24 HA LYS 24 0.663 -1.589 -0.920 170 HB2 LYS 24 2HB LYS 24 0.349 -0.021 -2.665 171 HB3 LYS 24 1HB LYS 24 1.718 -0.644 -3.578 172 HG2 LYS 24 2HG LYS 24 0.518 -2.807 -3.839 173 HG3 LYS 24 1HG LYS 24 -0.867 -2.102 -3.000 174 HD2 LYS 24 2HD LYS 24 -1.108 -1.981 -5.468 175 HD3 LYS 24 1HD LYS 24 -1.080 -0.387 -4.716 176 HE2 LYS 24 2HE LYS 24 0.944 0.161 -5.626 177 HE3 LYS 24 1HE LYS 24 1.556 -1.489 -5.511 178 HZ1 LYS 24 3HZ LYS 24 0.567 -0.220 -7.758 179 HZ2 LYS 24 1HZ LYS 24 -0.609 -1.366 -7.327 180 HZ3 LYS 24 2HZ LYS 24 0.995 -1.857 -7.605 181 H ASN 25 H ASN 25 0.878 -3.641 -0.425 182 HA ASN 25 HA ASN 25 2.659 -5.359 -2.090 183 HB2 ASN 25 2HB ASN 25 1.950 -6.039 0.749 184 HB3 ASN 25 1HB ASN 25 3.390 -6.473 -0.167 185 HD21 ASN 25 1HD2 ASN 25 1.808 -3.360 0.922 186 HD22 ASN 25 2HD2 ASN 25 3.260 -2.648 1.380 187 H ILE 26 H ILE 26 1.966 -7.744 -1.875 188 HA ILE 26 HA ILE 26 -0.977 -7.857 -2.266 189 HB ILE 26 HB ILE 26 -0.586 -9.918 -3.452 190 HG12 ILE 26 2HG1 ILE 26 2.046 -10.498 -3.578 191 HG13 ILE 26 1HG1 ILE 26 1.984 -9.818 -1.952 192 HG21 ILE 26 1HG2 ILE 26 0.366 -8.956 -5.281 193 HG22 ILE 26 2HG2 ILE 26 1.834 -8.518 -4.406 194 HG23 ILE 26 3HG2 ILE 26 0.395 -7.506 -4.277 195 HD11 ILE 26 3HD1 ILE 26 0.465 -11.447 -1.193 196 HD12 ILE 26 1HD1 ILE 26 1.547 -12.370 -2.236 197 HD13 ILE 26 2HD1 ILE 26 -0.037 -11.872 -2.831 198 H TRP 27 H TRP 27 1.386 -8.545 0.065 199 HA TRP 27 HA TRP 27 0.084 -10.873 1.256 200 HB2 TRP 27 2HB TRP 27 1.980 -9.036 2.706 201 HB3 TRP 27 1HB TRP 27 1.774 -10.777 2.892 202 HD1 TRP 27 HD TRP 27 3.676 -8.193 0.949 203 HE1 TRP 27 1HE TRP 27 5.284 -9.355 -0.700 204 HE3 TRP 27 3HE TRP 27 1.996 -13.002 1.321 205 HZ2 TRP 27 2HZ TRP 27 5.784 -11.979 -1.729 206 HZ3 TRP 27 3HZ TRP 27 3.053 -14.810 -0.002 207 HH2 TRP 27 HH TRP 27 4.943 -14.305 -1.526 208 H THR 28 H THR 28 -1.900 -10.599 2.191 209 HA THR 28 HA THR 28 -2.191 -8.587 4.296 210 HB THR 28 HB THR 28 -2.755 -7.484 2.014 211 HG1 THR 28 1HG THR 28 -4.121 -6.221 3.091 212 HG21 THR 28 3HG2 THR 28 -4.957 -7.920 1.137 213 HG22 THR 28 1HG2 THR 28 -5.314 -9.041 2.449 214 HG23 THR 28 2HG2 THR 28 -4.106 -9.461 1.234 215 H PHE 29 H PHE 29 -3.555 -9.372 5.860 216 HA PHE 29 HA PHE 29 -4.869 -11.963 5.323 217 HB2 PHE 29 2HB PHE 29 -3.559 -11.691 7.399 218 HB3 PHE 29 1HB PHE 29 -4.610 -10.363 7.891 219 HD1 PHE 29 1HD PHE 29 -4.676 -13.981 6.928 220 HD2 PHE 29 2HD PHE 29 -6.597 -10.792 9.072 221 HE1 PHE 29 1HE PHE 29 -6.277 -15.603 7.909 222 HE2 PHE 29 2HE PHE 29 -8.198 -12.414 10.051 223 HZ PHE 29 HZ PHE 29 -8.037 -14.819 9.470 224 H ASP 30 H ASP 30 -5.794 -9.086 4.479 225 HA ASP 30 HA ASP 30 -8.536 -9.259 5.648 226 HB2 ASP 30 2HB ASP 30 -7.070 -7.093 5.750 227 HB3 ASP 30 1HB ASP 30 -7.531 -6.912 4.057 228 H ASN 31 H ASN 31 -7.110 -8.162 2.543 229 HA ASN 31 HA ASN 31 -9.189 -9.813 1.172 230 HB2 ASN 31 2HB ASN 31 -9.365 -7.122 1.273 231 HB3 ASN 31 1HB ASN 31 -8.322 -7.287 -0.139 232 HD21 ASN 31 1HD2 ASN 31 -11.571 -7.306 0.843 233 HD22 ASN 31 2HD2 ASN 31 -12.237 -8.064 -0.521 234 H ILE 32 H ILE 32 -6.539 -7.729 -0.029 235 HA ILE 32 HA ILE 32 -4.943 -10.065 -0.782 236 HB ILE 32 HB ILE 32 -5.214 -8.626 -3.233 237 HG12 ILE 32 2HG1 ILE 32 -7.608 -9.170 -3.738 238 HG13 ILE 32 1HG1 ILE 32 -7.853 -9.533 -2.034 239 HG21 ILE 32 1HG2 ILE 32 -4.501 -10.903 -3.148 240 HG22 ILE 32 2HG2 ILE 32 -6.055 -10.894 -3.984 241 HG23 ILE 32 3HG2 ILE 32 -5.964 -11.397 -2.296 242 HD11 ILE 32 3HD1 ILE 32 -8.487 -7.313 -2.027 243 HD12 ILE 32 1HD1 ILE 32 -7.424 -6.900 -3.372 244 HD13 ILE 32 2HD1 ILE 32 -6.757 -7.106 -1.753 245 H ILE 33 H ILE 33 -5.075 -6.964 -2.479 246 HA ILE 33 HA ILE 33 -2.284 -6.466 -1.679 247 HB ILE 33 HB ILE 33 -3.859 -4.549 -3.349 248 HG12 ILE 33 2HG1 ILE 33 -4.557 -6.696 -4.227 249 HG13 ILE 33 1HG1 ILE 33 -3.387 -5.994 -5.341 250 HG21 ILE 33 1HG2 ILE 33 -1.777 -4.112 -4.346 251 HG22 ILE 33 2HG2 ILE 33 -1.114 -5.673 -3.863 252 HG23 ILE 33 3HG2 ILE 33 -1.357 -4.408 -2.658 253 HD11 ILE 33 3HD1 ILE 33 -1.615 -7.389 -4.456 254 HD12 ILE 33 1HD1 ILE 33 -2.983 -8.430 -4.848 255 HD13 ILE 33 2HD1 ILE 33 -2.668 -7.984 -3.171 256 H ARG 34 H ARG 34 -1.640 -4.337 -0.779 257 HA ARG 34 HA ARG 34 -3.860 -2.774 0.374 258 HB2 ARG 34 2HB ARG 34 -3.167 -4.555 2.050 259 HB3 ARG 34 1HB ARG 34 -1.648 -3.661 2.195 260 HG2 ARG 34 2HG ARG 34 -2.666 -1.805 3.122 261 HG3 ARG 34 1HG ARG 34 -4.205 -2.127 2.347 262 HD2 ARG 34 2HD ARG 34 -4.699 -2.712 4.546 263 HD3 ARG 34 1HD ARG 34 -4.201 -4.271 3.887 264 HE ARG 34 HE ARG 34 -1.844 -3.185 4.856 265 HH11 ARG 34 1HH1 ARG 34 -3.420 -5.548 6.040 266 HH12 ARG 34 2HH1 ARG 34 -3.578 -5.035 7.687 267 HH21 ARG 34 1HH2 ARG 34 -2.724 -1.740 7.019 268 HH22 ARG 34 2HH2 ARG 34 -3.182 -2.880 8.241 269 H ARG 35 H ARG 35 -3.429 -0.810 -0.312 270 HA ARG 35 HA ARG 35 -0.648 0.138 -0.606 271 HB2 ARG 35 2HB ARG 35 -3.299 1.450 -1.287 272 HB3 ARG 35 1HB ARG 35 -1.726 2.156 -1.607 273 HG2 ARG 35 2HG ARG 35 -1.504 0.943 -3.484 274 HG3 ARG 35 1HG ARG 35 -1.798 -0.551 -2.595 275 HD2 ARG 35 2HD ARG 35 -3.893 -0.698 -3.402 276 HD3 ARG 35 1HD ARG 35 -4.256 0.951 -2.893 277 HE ARG 35 HE ARG 35 -3.467 1.736 -5.066 278 HH11 ARG 35 1HH1 ARG 35 -5.303 -0.821 -5.401 279 HH12 ARG 35 2HH1 ARG 35 -4.494 -1.565 -6.740 280 HH21 ARG 35 1HH2 ARG 35 -1.656 0.411 -6.464 281 HH22 ARG 35 2HH2 ARG 35 -2.429 -0.867 -7.342 282 H GLY 36 H GLY 36 0.223 1.742 0.722 283 HA2 GLY 36 2HA GLY 36 -1.495 3.144 2.641 284 HA3 GLY 36 1HA GLY 36 -0.381 2.006 3.365 285 H CYS 37 H CYS 37 0.772 3.641 4.408 286 HA CYS 37 HA CYS 37 2.384 5.404 2.613 287 HB2 CYS 37 2HB CYS 37 2.439 6.995 4.511 288 HB3 CYS 37 1HB CYS 37 0.792 6.686 3.959 289 H GLY 38 H GLY 38 4.480 4.729 2.622 290 HA2 GLY 38 2HA GLY 38 6.575 4.438 3.766 291 HA3 GLY 38 1HA GLY 38 5.683 4.041 5.238 292 H CYS 39 H CYS 39 7.773 2.568 3.666 293 HA CYS 39 HA CYS 39 6.579 0.290 2.399 294 HB2 CYS 39 2HB CYS 39 9.179 0.234 3.909 295 HB3 CYS 39 1HB CYS 39 8.717 -0.756 2.536 296 H PHE 40 H PHE 40 6.237 -1.848 3.283 297 HA PHE 40 HA PHE 40 4.994 -1.810 5.869 298 HB2 PHE 40 2HB PHE 40 5.019 -4.344 5.622 299 HB3 PHE 40 1HB PHE 40 4.224 -3.462 4.334 300 HD1 PHE 40 1HD PHE 40 7.736 -2.967 4.133 301 HD2 PHE 40 2HD PHE 40 4.631 -5.780 3.208 302 HE1 PHE 40 1HE PHE 40 9.214 -4.024 2.479 303 HE2 PHE 40 2HE PHE 40 6.120 -6.854 1.551 304 HZ PHE 40 HZ PHE 40 8.417 -5.988 1.187 305 H THR 41 H THR 41 5.696 -3.446 7.650 306 HA THR 41 HA THR 41 8.373 -2.655 8.451 307 HB THR 41 HB THR 41 6.307 -4.385 9.811 308 HG1 THR 41 1HG THR 41 5.963 -2.562 10.987 309 HG21 THR 41 3HG2 THR 41 7.919 -5.064 11.219 310 HG22 THR 41 1HG2 THR 41 8.226 -3.378 11.636 311 HG23 THR 41 2HG2 THR 41 9.123 -4.139 10.321 312 HA PRO 42 HA PRO 42 9.329 -7.291 8.094 313 HB2 PRO 42 2HB PRO 42 7.508 -8.894 6.801 314 HB3 PRO 42 1HB PRO 42 7.474 -8.576 8.543 315 HG2 PRO 42 2HG PRO 42 5.656 -7.564 6.434 316 HG3 PRO 42 1HG PRO 42 5.392 -7.667 8.182 317 HD2 PRO 42 2HD PRO 42 6.109 -5.344 6.656 318 HD3 PRO 42 1HD PRO 42 5.919 -5.446 8.416 319 H ARG 43 H ARG 43 9.908 -5.306 6.190 320 HA ARG 43 HA ARG 43 9.506 -6.150 3.477 321 HB2 ARG 43 2HB ARG 43 11.139 -4.492 2.893 322 HB3 ARG 43 1HB ARG 43 10.243 -3.846 4.265 323 HG2 ARG 43 2HG ARG 43 12.379 -5.400 5.318 324 HG3 ARG 43 1HG ARG 43 13.055 -4.355 4.068 325 HD2 ARG 43 2HD ARG 43 11.167 -2.835 5.596 326 HD3 ARG 43 1HD ARG 43 12.276 -3.635 6.711 327 HE ARG 43 HE ARG 43 13.141 -1.805 4.512 328 HH11 ARG 43 1HH2 ARG 43 13.045 -1.641 7.723 329 HH12 ARG 43 2HH2 ARG 43 14.752 -1.622 8.019 330 HH21 ARG 43 1HH1 ARG 43 15.592 -2.561 4.789 331 HH22 ARG 43 2HH1 ARG 43 16.193 -2.142 6.358 332 H GLY 44 H GLY 44 12.068 -6.162 2.382 333 HA2 GLY 44 2HA GLY 44 14.180 -7.530 3.101 334 HA3 GLY 44 1HA GLY 44 12.997 -8.824 3.249 335 H ASP 45 H ASP 45 14.618 -9.681 1.506 336 HA ASP 45 HA ASP 45 14.079 -8.567 -1.182 337 HB2 ASP 45 2HB ASP 45 15.694 -10.420 -1.878 338 HB3 ASP 45 1HB ASP 45 16.367 -9.164 -0.839 339 H MET 46 H MET 46 12.487 -10.607 0.841 340 HA MET 46 HA MET 46 11.829 -12.724 -1.059 341 HB2 MET 46 2HB MET 46 11.381 -12.189 1.750 342 HB3 MET 46 1HB MET 46 9.885 -12.695 0.963 343 HG2 MET 46 2HG MET 46 10.977 -14.687 0.075 344 HG3 MET 46 1HG MET 46 12.527 -14.166 0.735 345 HE1 MET 46 3HE MET 46 11.844 -17.181 2.116 346 HE2 MET 46 1HE MET 46 12.787 -16.336 3.350 347 HE3 MET 46 2HE MET 46 13.051 -15.989 1.643 348 HA PRO 47 HA PRO 47 7.751 -10.265 -1.289 349 HB2 PRO 47 2HB PRO 47 7.648 -7.855 0.033 350 HB3 PRO 47 1HB PRO 47 7.190 -9.400 0.764 351 HG2 PRO 47 2HG PRO 47 9.611 -7.748 1.243 352 HG3 PRO 47 1HG PRO 47 8.863 -8.967 2.289 353 HD2 PRO 47 2HD PRO 47 11.177 -9.307 0.652 354 HD3 PRO 47 1HD PRO 47 10.324 -10.574 1.553 355 H GLY 48 H GLY 48 7.090 -8.671 -2.820 356 HA2 GLY 48 2HA GLY 48 9.134 -6.745 -3.738 357 HA3 GLY 48 1HA GLY 48 8.445 -7.862 -4.912 358 HA PRO 49 HA PRO 49 4.738 -5.192 -3.500 359 HB2 PRO 49 2HB PRO 49 5.164 -3.396 -1.462 360 HB3 PRO 49 1HB PRO 49 4.667 -5.077 -1.211 361 HG2 PRO 49 2HG PRO 49 7.333 -3.833 -0.776 362 HG3 PRO 49 1HG PRO 49 6.589 -5.228 0.005 363 HD2 PRO 49 2HD PRO 49 8.543 -5.350 -2.019 364 HD3 PRO 49 1HD PRO 49 7.537 -6.699 -1.456 365 H TYR 50 H TYR 50 4.504 -2.448 -2.933 366 HA TYR 50 HA TYR 50 6.420 -1.225 -4.860 367 HB2 TYR 50 2HB TYR 50 3.681 -1.693 -5.312 368 HB3 TYR 50 1HB TYR 50 3.825 0.036 -4.992 369 HD1 TYR 50 2HD TYR 50 4.966 -2.742 -7.160 370 HD2 TYR 50 1HD TYR 50 5.026 1.501 -6.489 371 HE1 TYR 50 2HE TYR 50 5.915 -2.397 -9.424 372 HE2 TYR 50 1HE TYR 50 5.979 1.845 -8.754 373 HH TYR 50 HH TYR 50 6.248 0.795 -10.812 374 H CYS 51 H CYS 51 7.527 -0.358 -2.957 375 HA CYS 51 HA CYS 51 6.067 1.615 -1.275 376 HB2 CYS 51 2HB CYS 51 8.296 0.109 -0.769 377 HB3 CYS 51 1HB CYS 51 9.007 1.634 -1.308 378 H CYS 52 H CYS 52 5.845 3.663 -2.051 379 HA CYS 52 HA CYS 52 7.898 4.662 -3.975 380 HB2 CYS 52 2HB CYS 52 5.922 4.065 -5.266 381 HB3 CYS 52 1HB CYS 52 4.908 5.038 -4.211 382 H GLU 53 H GLU 53 8.059 6.972 -4.007 383 HA GLU 53 HA GLU 53 7.253 8.139 -1.379 384 HB2 GLU 53 2HB GLU 53 9.399 9.340 -3.095 385 HB3 GLU 53 1HB GLU 53 9.236 9.351 -1.339 386 HG2 GLU 53 2HG GLU 53 9.760 6.953 -1.256 387 HG3 GLU 53 1HG GLU 53 9.883 6.908 -3.015 388 H SER 54 H SER 54 5.344 8.202 -3.414 389 HA SER 54 HA SER 54 5.241 11.136 -3.932 390 HB2 SER 54 2HB SER 54 3.948 9.488 -5.997 391 HB3 SER 54 1HB SER 54 4.978 10.906 -6.176 392 HG SER 54 HG SER 54 6.657 9.647 -6.393 393 H ASP 55 H ASP 55 2.999 11.938 -4.029 394 HA ASP 55 HA ASP 55 1.285 10.492 -2.209 395 HB2 ASP 55 2HB ASP 55 0.114 12.591 -3.973 396 HB3 ASP 55 1HB ASP 55 -0.096 12.320 -2.247 397 H LYS 56 H LYS 56 -0.523 9.267 -2.654 398 HA LYS 56 HA LYS 56 -1.723 7.679 -3.936 399 HB2 LYS 56 2HB LYS 56 -1.666 9.903 -6.004 400 HB3 LYS 56 1HB LYS 56 -2.863 8.614 -5.868 401 HG2 LYS 56 2HG LYS 56 -3.184 9.580 -3.433 402 HG3 LYS 56 1HG LYS 56 -2.488 11.038 -4.142 403 HD2 LYS 56 2HD LYS 56 -4.237 11.248 -5.720 404 HD3 LYS 56 1HD LYS 56 -4.767 9.582 -5.480 405 HE2 LYS 56 2HE LYS 56 -5.052 10.512 -2.958 406 HE3 LYS 56 1HE LYS 56 -5.338 12.002 -3.857 407 HZ1 LYS 56 3HZ LYS 56 -6.666 9.529 -4.718 408 HZ2 LYS 56 1HZ LYS 56 -7.173 11.139 -4.889 409 HZ3 LYS 56 2HZ LYS 56 -7.283 10.371 -3.378 410 H CYS 57 H CYS 57 1.112 7.457 -4.052 411 HA CYS 57 HA CYS 57 1.816 7.063 -6.885 412 HB2 CYS 57 2HB CYS 57 3.348 7.992 -5.021 413 HB3 CYS 57 1HB CYS 57 3.530 6.311 -4.524 414 H ASN 58 H ASN 58 0.701 5.075 -4.208 415 HA ASN 58 HA ASN 58 1.644 2.647 -5.555 416 HB2 ASN 58 2HB ASN 58 0.245 1.592 -3.579 417 HB3 ASN 58 1HB ASN 58 1.834 2.286 -3.274 418 HD21 ASN 58 1HD2 ASN 58 0.544 2.331 -1.004 419 HD22 ASN 58 2HD2 ASN 58 -0.236 3.803 -0.668 420 H LEU 59 H LEU 59 0.124 3.698 -7.366 421 HA LEU 59 HA LEU 59 -2.538 2.366 -7.085 422 HB2 LEU 59 2HB LEU 59 -2.254 5.029 -7.325 423 HB3 LEU 59 1HB LEU 59 -2.193 4.597 -9.033 424 HG LEU 59 HG LEU 59 -4.514 5.075 -8.233 425 HD11 LEU 59 1HD1 LEU 59 -4.790 2.229 -8.777 426 HD12 LEU 59 2HD1 LEU 59 -3.583 2.971 -9.826 427 HD13 LEU 59 3HD1 LEU 59 -5.228 3.605 -9.788 428 HD21 LEU 59 3HD2 LEU 59 -4.378 2.466 -6.738 429 HD22 LEU 59 1HD2 LEU 59 -5.553 3.772 -6.579 430 HD23 LEU 59 2HD2 LEU 59 -3.923 3.969 -5.934 Start of MODEL 8 1 H1 ARG 1 1HT ARG 1 4.173 11.954 3.439 2 H2 ARG 1 2HT ARG 1 3.114 10.686 3.039 3 H3 ARG 1 3HT ARG 1 2.761 11.713 4.346 4 HA ARG 1 HA ARG 1 2.217 13.496 3.000 5 HB2 ARG 1 2HB ARG 1 2.976 13.796 0.798 6 HB3 ARG 1 1HB ARG 1 4.332 12.963 1.555 7 HG2 ARG 1 2HG ARG 1 2.621 10.916 0.641 8 HG3 ARG 1 1HG ARG 1 2.665 12.100 -0.657 9 HD2 ARG 1 2HD ARG 1 5.105 10.947 0.681 10 HD3 ARG 1 1HD ARG 1 4.454 10.367 -0.834 11 HE ARG 1 HE ARG 1 5.703 12.087 -1.795 12 HH11 ARG 1 1HH2 ARG 1 3.779 14.214 -1.043 13 HH12 ARG 1 2HH2 ARG 1 4.759 15.295 -0.110 14 HH21 ARG 1 1HH1 ARG 1 7.297 12.989 0.395 15 HH22 ARG 1 2HH1 ARG 1 6.749 14.603 0.703 16 H ILE 2 H ILE 2 1.122 12.789 0.270 17 HA ILE 2 HA ILE 2 -1.266 11.352 1.258 18 HB ILE 2 HB ILE 2 -0.621 12.845 -1.287 19 HG12 ILE 2 2HG1 ILE 2 -2.813 13.982 -0.447 20 HG13 ILE 2 1HG1 ILE 2 -2.461 13.146 1.067 21 HG21 ILE 2 1HG2 ILE 2 -3.133 12.305 -1.776 22 HG22 ILE 2 2HG2 ILE 2 -2.874 10.932 -0.700 23 HG23 ILE 2 3HG2 ILE 2 -1.917 11.091 -2.172 24 HD11 ILE 2 3HD1 ILE 2 -1.524 15.583 0.652 25 HD12 ILE 2 1HD1 ILE 2 -0.280 14.721 -0.254 26 HD13 ILE 2 2HD1 ILE 2 -0.526 14.373 1.458 27 H CYS 3 H CYS 3 -1.520 9.184 0.928 28 HA CYS 3 HA CYS 3 -0.018 8.030 -1.362 29 HB2 CYS 3 2HB CYS 3 -0.375 6.826 1.392 30 HB3 CYS 3 1HB CYS 3 0.256 5.940 0.010 31 H TYR 4 H TYR 4 -0.960 5.750 -1.894 32 HA TYR 4 HA TYR 4 -3.847 6.135 -2.282 33 HB2 TYR 4 2HB TYR 4 -1.744 4.759 -3.674 34 HB3 TYR 4 1HB TYR 4 -3.030 3.612 -3.296 35 HD1 TYR 4 2HD TYR 4 -5.453 4.303 -3.855 36 HD2 TYR 4 1HD TYR 4 -1.994 6.309 -5.421 37 HE1 TYR 4 2HE TYR 4 -6.835 5.271 -5.671 38 HE2 TYR 4 1HE TYR 4 -3.374 7.278 -7.236 39 HH TYR 4 HH TYR 4 -5.827 7.828 -7.585 40 H ASN 5 H ASN 5 -5.423 4.940 -1.326 41 HA ASN 5 HA ASN 5 -4.563 2.975 0.749 42 HB2 ASN 5 2HB ASN 5 -5.607 4.871 1.791 43 HB3 ASN 5 1HB ASN 5 -6.928 4.860 0.624 44 HD21 ASN 5 1HD2 ASN 5 -5.583 1.939 2.169 45 HD22 ASN 5 2HD2 ASN 5 -6.996 1.548 3.021 46 H HIS 6 H HIS 6 -5.508 2.758 -2.290 47 HA HIS 6 HA HIS 6 -7.974 1.292 -2.167 48 HB2 HIS 6 2HB HIS 6 -7.411 2.048 -4.293 49 HB3 HIS 6 1HB HIS 6 -5.782 1.436 -4.213 50 HD1 HIS 6 1HD HIS 6 -9.159 -0.260 -3.669 51 HD2 HIS 6 2HD HIS 6 -5.726 -0.713 -5.982 52 HE1 HIS 6 1HE HIS 6 -9.474 -2.381 -5.016 53 H LEU 7 H LEU 7 -8.385 -0.760 -1.725 54 HA LEU 7 HA LEU 7 -6.096 -2.493 -0.884 55 HB2 LEU 7 2HB LEU 7 -8.956 -3.045 -0.153 56 HB3 LEU 7 1HB LEU 7 -7.483 -3.469 0.719 57 HG LEU 7 HG LEU 7 -8.628 -0.681 0.390 58 HD11 LEU 7 1HD1 LEU 7 -8.741 -0.867 2.919 59 HD12 LEU 7 2HD1 LEU 7 -8.386 -2.584 2.734 60 HD13 LEU 7 3HD1 LEU 7 -9.864 -1.912 2.048 61 HD21 LEU 7 3HD2 LEU 7 -6.724 -0.267 2.147 62 HD22 LEU 7 1HD2 LEU 7 -6.310 -0.330 0.433 63 HD23 LEU 7 2HD2 LEU 7 -6.020 -1.733 1.462 64 H GLY 8 H GLY 8 -5.793 -4.496 -1.790 65 HA2 GLY 8 2HA GLY 8 -5.900 -5.875 -3.783 66 HA3 GLY 8 1HA GLY 8 -7.237 -6.448 -2.797 67 H THR 9 H THR 9 -9.144 -6.548 -3.818 68 HA THR 9 HA THR 9 -9.549 -4.870 -6.257 69 HB THR 9 HB THR 9 -11.582 -6.674 -6.324 70 HG1 THR 9 1HG THR 9 -9.372 -7.965 -5.102 71 HG21 THR 9 3HG2 THR 9 -10.470 -6.896 -8.270 72 HG22 THR 9 1HG2 THR 9 -9.434 -8.067 -7.454 73 HG23 THR 9 2HG2 THR 9 -8.957 -6.370 -7.533 74 H LYS 10 H LYS 10 -9.876 -3.673 -3.739 75 HA LYS 10 HA LYS 10 -12.822 -3.582 -3.288 76 HB2 LYS 10 2HB LYS 10 -10.499 -3.412 -1.626 77 HB3 LYS 10 1HB LYS 10 -11.341 -1.867 -1.527 78 HG2 LYS 10 2HG LYS 10 -13.472 -3.145 -1.097 79 HG3 LYS 10 1HG LYS 10 -12.506 -4.618 -1.008 80 HD2 LYS 10 2HD LYS 10 -11.430 -2.451 0.644 81 HD3 LYS 10 1HD LYS 10 -13.058 -2.932 1.119 82 HE2 LYS 10 2HE LYS 10 -12.360 -5.263 1.301 83 HE3 LYS 10 1HE LYS 10 -10.749 -4.856 0.713 84 HZ1 LYS 10 3HZ LYS 10 -10.206 -4.511 2.822 85 HZ2 LYS 10 1HZ LYS 10 -11.817 -4.633 3.341 86 HZ3 LYS 10 2HZ LYS 10 -11.210 -3.140 2.803 87 HA PRO 11 HA PRO 11 -13.155 0.490 -4.964 88 HB2 PRO 11 2HB PRO 11 -14.012 2.152 -2.933 89 HB3 PRO 11 1HB PRO 11 -15.066 1.004 -3.776 90 HG2 PRO 11 2HG PRO 11 -13.854 0.797 -1.053 91 HG3 PRO 11 1HG PRO 11 -15.373 0.117 -1.659 92 HD2 PRO 11 2HD PRO 11 -13.015 -1.323 -1.297 93 HD3 PRO 11 1HD PRO 11 -14.358 -1.839 -2.334 94 HA PRO 12 HA PRO 12 -9.059 1.787 -3.841 95 HB2 PRO 12 2HB PRO 12 -8.572 3.197 -6.157 96 HB3 PRO 12 1HB PRO 12 -8.404 1.441 -6.006 97 HG2 PRO 12 2HG PRO 12 -10.581 3.015 -7.309 98 HG3 PRO 12 1HG PRO 12 -9.999 1.383 -7.680 99 HD2 PRO 12 2HD PRO 12 -12.340 1.978 -6.241 100 HD3 PRO 12 1HD PRO 12 -11.514 0.404 -6.255 101 H THR 13 H THR 13 -8.534 3.442 -2.553 102 HA THR 13 HA THR 13 -9.480 6.175 -3.244 103 HB THR 13 HB THR 13 -11.142 5.931 -1.688 104 HG1 THR 13 1HG THR 13 -9.681 7.365 -0.722 105 HG21 THR 13 3HG2 THR 13 -9.495 3.610 -0.832 106 HG22 THR 13 1HG2 THR 13 -11.231 3.710 -1.124 107 HG23 THR 13 2HG2 THR 13 -10.555 4.313 0.388 108 H THR 14 H THR 14 -8.102 7.819 -2.372 109 HA THR 14 HA THR 14 -5.441 6.791 -1.613 110 HB THR 14 HB THR 14 -4.898 9.334 -1.694 111 HG1 THR 14 1HG THR 14 -6.588 10.512 -2.026 112 HG21 THR 14 3HG2 THR 14 -5.805 8.420 -4.372 113 HG22 THR 14 1HG2 THR 14 -4.696 7.357 -3.506 114 HG23 THR 14 2HG2 THR 14 -4.227 9.020 -3.858 115 H GLU 15 H GLU 15 -4.309 8.096 0.195 116 HA GLU 15 HA GLU 15 -6.132 9.070 2.298 117 HB2 GLU 15 2HB GLU 15 -5.409 7.444 3.967 118 HB3 GLU 15 1HB GLU 15 -6.107 6.586 2.592 119 HG2 GLU 15 2HG GLU 15 -4.153 5.377 2.850 120 HG3 GLU 15 1HG GLU 15 -3.582 6.628 1.744 121 H THR 16 H THR 16 -5.116 10.685 3.392 122 HA THR 16 HA THR 16 -2.317 11.249 2.768 123 HB THR 16 HB THR 16 -3.604 12.780 4.944 124 HG1 THR 16 1HG THR 16 -5.446 12.590 3.845 125 HG21 THR 16 3HG2 THR 16 -2.053 14.210 4.180 126 HG22 THR 16 1HG2 THR 16 -2.941 14.335 2.662 127 HG23 THR 16 2HG2 THR 16 -1.677 13.119 2.847 128 H CYS 17 H CYS 17 -0.580 10.978 4.130 129 HA CYS 17 HA CYS 17 -1.084 9.985 6.893 130 HB2 CYS 17 2HB CYS 17 -0.405 8.312 4.773 131 HB3 CYS 17 1HB CYS 17 1.134 8.625 5.572 132 H GLN 18 H GLN 18 1.425 9.589 7.778 133 HA GLN 18 HA GLN 18 2.640 12.269 7.455 134 HB2 GLN 18 2HB GLN 18 2.386 11.607 9.747 135 HB3 GLN 18 1HB GLN 18 3.110 10.040 9.442 136 HG2 GLN 18 2HG GLN 18 4.554 12.008 10.501 137 HG3 GLN 18 1HG GLN 18 5.264 10.880 9.358 138 HE21 GLN 18 1HE2 GLN 18 3.060 13.647 8.657 139 HE22 GLN 18 2HE2 GLN 18 4.151 14.446 7.630 140 H GLU 19 H GLU 19 3.594 8.851 7.401 141 HA GLU 19 HA GLU 19 6.259 9.383 6.476 142 HB2 GLU 19 2HB GLU 19 4.974 6.865 5.570 143 HB3 GLU 19 1HB GLU 19 6.539 7.099 6.330 144 HG2 GLU 19 2HG GLU 19 5.520 6.210 8.164 145 HG3 GLU 19 1HG GLU 19 4.894 7.845 8.369 146 H ASP 20 H ASP 20 6.901 9.994 4.501 147 HA ASP 20 HA ASP 20 4.915 10.542 2.466 148 HB2 ASP 20 2HB ASP 20 7.399 10.665 1.164 149 HB3 ASP 20 1HB ASP 20 6.490 12.017 1.824 150 H SER 21 H SER 21 6.358 7.712 3.379 151 HA SER 21 HA SER 21 6.744 6.610 0.712 152 HB2 SER 21 2HB SER 21 6.449 4.571 2.697 153 HB3 SER 21 1HB SER 21 7.915 5.083 1.867 154 HG SER 21 HG SER 21 8.137 5.404 4.087 155 H CYS 22 H CYS 22 5.332 5.004 -0.237 156 HA CYS 22 HA CYS 22 2.650 4.739 1.042 157 HB2 CYS 22 2HB CYS 22 3.033 4.972 -1.949 158 HB3 CYS 22 1HB CYS 22 1.540 5.101 -1.030 159 H TYR 23 H TYR 23 2.420 2.540 1.391 160 HA TYR 23 HA TYR 23 4.066 0.811 -0.384 161 HB2 TYR 23 2HB TYR 23 4.170 -0.815 1.354 162 HB3 TYR 23 1HB TYR 23 4.514 0.728 2.102 163 HD1 TYR 23 1HD TYR 23 1.765 -1.714 1.466 164 HD2 TYR 23 2HD TYR 23 3.174 1.542 3.890 165 HE1 TYR 23 1HE TYR 23 -0.120 -2.067 3.026 166 HE2 TYR 23 2HE TYR 23 1.280 1.189 5.450 167 HH TYR 23 HH TYR 23 -1.322 -0.095 4.931 168 H LYS 24 H LYS 24 3.242 -0.779 -1.460 169 HA LYS 24 HA LYS 24 0.419 -1.583 -1.025 170 HB2 LYS 24 2HB LYS 24 0.201 -0.053 -2.809 171 HB3 LYS 24 1HB LYS 24 1.624 -0.674 -3.620 172 HG2 LYS 24 2HG LYS 24 0.490 -2.836 -3.952 173 HG3 LYS 24 1HG LYS 24 -0.947 -2.189 -3.151 174 HD2 LYS 24 2HD LYS 24 -1.013 -2.073 -5.663 175 HD3 LYS 24 1HD LYS 24 -1.235 -0.526 -4.846 176 HE2 LYS 24 2HE LYS 24 0.901 0.230 -5.403 177 HE3 LYS 24 1HE LYS 24 1.520 -1.401 -5.649 178 HZ1 LYS 24 3HZ LYS 24 -0.468 -0.040 -7.387 179 HZ2 LYS 24 1HZ LYS 24 0.168 -1.593 -7.632 180 HZ3 LYS 24 2HZ LYS 24 1.182 -0.235 -7.747 181 H ASN 25 H ASN 25 0.805 -3.590 -0.358 182 HA ASN 25 HA ASN 25 2.769 -5.226 -1.919 183 HB2 ASN 25 2HB ASN 25 1.974 -6.250 0.733 184 HB3 ASN 25 1HB ASN 25 3.566 -6.082 0.045 185 HD21 ASN 25 1HD2 ASN 25 3.464 -3.228 -0.471 186 HD22 ASN 25 2HD2 ASN 25 3.370 -2.433 1.014 187 H ILE 26 H ILE 26 2.095 -7.773 -1.376 188 HA ILE 26 HA ILE 26 -0.768 -7.925 -2.232 189 HB ILE 26 HB ILE 26 -0.189 -9.855 -3.594 190 HG12 ILE 26 2HG1 ILE 26 1.731 -10.461 -1.923 191 HG13 ILE 26 1HG1 ILE 26 1.928 -10.862 -3.627 192 HG21 ILE 26 1HG2 ILE 26 1.681 -8.637 -5.029 193 HG22 ILE 26 2HG2 ILE 26 1.329 -7.300 -3.935 194 HG23 ILE 26 3HG2 ILE 26 0.046 -7.983 -4.934 195 HD11 ILE 26 3HD1 ILE 26 3.691 -9.467 -3.846 196 HD12 ILE 26 1HD1 ILE 26 3.702 -9.368 -2.085 197 HD13 ILE 26 2HD1 ILE 26 2.846 -8.153 -3.031 198 H TRP 27 H TRP 27 1.516 -8.933 0.108 199 HA TRP 27 HA TRP 27 -0.050 -11.340 0.825 200 HB2 TRP 27 2HB TRP 27 1.731 -10.855 2.916 201 HB3 TRP 27 1HB TRP 27 1.956 -12.008 1.604 202 HD1 TRP 27 HD TRP 27 3.244 -10.994 -0.633 203 HE1 TRP 27 1HE TRP 27 5.183 -9.295 -0.740 204 HE3 TRP 27 3HE TRP 27 2.811 -8.874 3.991 205 HZ2 TRP 27 2HZ TRP 27 6.386 -7.299 0.919 206 HZ3 TRP 27 3HZ TRP 27 4.364 -7.078 4.702 207 HH2 TRP 27 HH TRP 27 6.148 -6.292 3.173 208 H THR 28 H THR 28 -1.720 -11.245 2.243 209 HA THR 28 HA THR 28 -1.683 -9.324 4.450 210 HB THR 28 HB THR 28 -2.545 -8.150 2.298 211 HG1 THR 28 1HG THR 28 -2.849 -7.144 4.208 212 HG21 THR 28 3HG2 THR 28 -5.003 -9.749 3.071 213 HG22 THR 28 1HG2 THR 28 -4.048 -10.000 1.608 214 HG23 THR 28 2HG2 THR 28 -4.929 -8.490 1.839 215 H PHE 29 H PHE 29 -3.706 -9.589 5.811 216 HA PHE 29 HA PHE 29 -4.604 -12.433 5.673 217 HB2 PHE 29 2HB PHE 29 -3.475 -12.019 7.742 218 HB3 PHE 29 1HB PHE 29 -4.325 -10.492 7.978 219 HD1 PHE 29 2HD PHE 29 -4.605 -14.165 8.110 220 HD2 PHE 29 1HD PHE 29 -6.647 -10.435 8.727 221 HE1 PHE 29 2HE PHE 29 -6.407 -15.353 9.330 222 HE2 PHE 29 1HE PHE 29 -8.450 -11.625 9.946 223 HZ PHE 29 HZ PHE 29 -8.329 -14.084 10.250 224 H ASP 30 H ASP 30 -5.654 -9.361 4.944 225 HA ASP 30 HA ASP 30 -8.470 -9.940 5.732 226 HB2 ASP 30 2HB ASP 30 -8.042 -7.367 4.431 227 HB3 ASP 30 1HB ASP 30 -8.739 -7.713 6.012 228 H ASN 31 H ASN 31 -7.107 -8.160 2.953 229 HA ASN 31 HA ASN 31 -8.907 -9.786 1.207 230 HB2 ASN 31 2HB ASN 31 -7.978 -6.940 1.135 231 HB3 ASN 31 1HB ASN 31 -8.344 -7.746 -0.392 232 HD21 ASN 31 1HD2 ASN 31 -10.582 -8.803 -0.506 233 HD22 ASN 31 2HD2 ASN 31 -11.854 -8.068 0.346 234 H ILE 32 H ILE 32 -6.250 -7.787 0.052 235 HA ILE 32 HA ILE 32 -4.445 -10.050 -0.301 236 HB ILE 32 HB ILE 32 -5.766 -10.681 -2.127 237 HG12 ILE 32 2HG1 ILE 32 -4.516 -9.968 -4.169 238 HG13 ILE 32 1HG1 ILE 32 -3.702 -8.744 -3.195 239 HG21 ILE 32 1HG2 ILE 32 -7.301 -9.343 -3.059 240 HG22 ILE 32 2HG2 ILE 32 -6.057 -8.223 -3.613 241 HG23 ILE 32 3HG2 ILE 32 -6.736 -8.055 -1.996 242 HD11 ILE 32 3HD1 ILE 32 -2.155 -10.377 -2.850 243 HD12 ILE 32 1HD1 ILE 32 -3.278 -11.666 -3.283 244 HD13 ILE 32 2HD1 ILE 32 -3.315 -10.973 -1.662 245 H ILE 33 H ILE 33 -5.014 -7.081 -2.221 246 HA ILE 33 HA ILE 33 -2.195 -6.326 -1.741 247 HB ILE 33 HB ILE 33 -4.100 -4.641 -3.334 248 HG12 ILE 33 2HG1 ILE 33 -4.431 -7.096 -3.930 249 HG13 ILE 33 1HG1 ILE 33 -3.935 -6.051 -5.259 250 HG21 ILE 33 1HG2 ILE 33 -2.114 -4.174 -4.633 251 HG22 ILE 33 2HG2 ILE 33 -1.225 -5.464 -3.825 252 HG23 ILE 33 3HG2 ILE 33 -1.693 -4.019 -2.928 253 HD11 ILE 33 3HD1 ILE 33 -1.848 -6.988 -5.398 254 HD12 ILE 33 1HD1 ILE 33 -2.691 -8.375 -4.712 255 HD13 ILE 33 2HD1 ILE 33 -1.763 -7.303 -3.665 256 H ARG 34 H ARG 34 -1.634 -4.296 -0.737 257 HA ARG 34 HA ARG 34 -3.906 -2.777 0.396 258 HB2 ARG 34 2HB ARG 34 -2.853 -4.656 1.981 259 HB3 ARG 34 1HB ARG 34 -1.731 -3.334 2.324 260 HG2 ARG 34 2HG ARG 34 -3.400 -1.948 3.154 261 HG3 ARG 34 1HG ARG 34 -4.660 -2.761 2.234 262 HD2 ARG 34 2HD ARG 34 -4.109 -4.815 3.714 263 HD3 ARG 34 1HD ARG 34 -3.326 -3.643 4.775 264 HE ARG 34 HE ARG 34 -6.213 -3.426 4.011 265 HH11 ARG 34 1HH2 ARG 34 -4.937 -4.811 6.557 266 HH12 ARG 34 2HH2 ARG 34 -5.315 -3.606 7.742 267 HH21 ARG 34 1HH1 ARG 34 -6.135 -1.181 5.401 268 HH22 ARG 34 2HH1 ARG 34 -5.993 -1.550 7.088 269 H ARG 35 H ARG 35 -3.530 -0.826 -0.266 270 HA ARG 35 HA ARG 35 -0.798 0.224 -0.567 271 HB2 ARG 35 2HB ARG 35 -3.450 1.516 -1.227 272 HB3 ARG 35 1HB ARG 35 -1.860 2.086 -1.717 273 HG2 ARG 35 2HG ARG 35 -1.574 0.392 -3.271 274 HG3 ARG 35 1HG ARG 35 -2.617 -0.724 -2.393 275 HD2 ARG 35 2HD ARG 35 -4.491 1.016 -2.984 276 HD3 ARG 35 1HD ARG 35 -3.373 1.495 -4.260 277 HE ARG 35 HE ARG 35 -4.842 -1.038 -4.119 278 HH11 ARG 35 1HH1 ARG 35 -3.276 1.118 -6.115 279 HH12 ARG 35 2HH1 ARG 35 -2.578 -0.070 -7.166 280 HH21 ARG 35 1HH2 ARG 35 -3.483 -2.754 -5.168 281 HH22 ARG 35 2HH2 ARG 35 -2.697 -2.262 -6.630 282 H GLY 36 H GLY 36 -0.000 0.856 1.437 283 HA2 GLY 36 2HA GLY 36 -1.785 2.630 3.058 284 HA3 GLY 36 1HA GLY 36 -0.624 1.524 3.787 285 H CYS 37 H CYS 37 0.073 3.650 4.810 286 HA CYS 37 HA CYS 37 1.836 5.205 2.971 287 HB2 CYS 37 2HB CYS 37 1.817 6.905 4.835 288 HB3 CYS 37 1HB CYS 37 0.245 6.624 4.094 289 H GLY 38 H GLY 38 3.967 4.778 3.137 290 HA2 GLY 38 2HA GLY 38 6.003 4.663 4.518 291 HA3 GLY 38 1HA GLY 38 5.045 3.832 5.751 292 H CYS 39 H CYS 39 6.700 2.069 5.499 293 HA CYS 39 HA CYS 39 6.125 0.460 3.036 294 HB2 CYS 39 2HB CYS 39 8.587 0.298 4.780 295 HB3 CYS 39 1HB CYS 39 8.291 -0.638 3.327 296 H PHE 40 H PHE 40 6.330 -1.911 3.371 297 HA PHE 40 HA PHE 40 4.506 -2.816 5.429 298 HB2 PHE 40 2HB PHE 40 5.740 -5.137 4.645 299 HB3 PHE 40 1HB PHE 40 4.438 -4.373 3.722 300 HD1 PHE 40 1HD PHE 40 8.062 -4.951 3.919 301 HD2 PHE 40 2HD PHE 40 4.902 -2.957 1.834 302 HE1 PHE 40 1HE PHE 40 9.639 -4.325 2.108 303 HE2 PHE 40 2HE PHE 40 6.457 -2.341 0.022 304 HZ PHE 40 HZ PHE 40 8.849 -3.014 0.173 305 H THR 41 H THR 41 5.351 -4.893 6.756 306 HA THR 41 HA THR 41 7.478 -3.809 8.463 307 HB THR 41 HB THR 41 5.345 -5.870 8.806 308 HG1 THR 41 1HG THR 41 6.228 -3.499 9.927 309 HG21 THR 41 3HG2 THR 41 6.388 -6.631 10.913 310 HG22 THR 41 1HG2 THR 41 7.831 -5.689 10.535 311 HG23 THR 41 2HG2 THR 41 7.382 -7.061 9.521 312 HA PRO 42 HA PRO 42 9.588 -7.891 7.385 313 HB2 PRO 42 2HB PRO 42 8.337 -9.670 5.710 314 HB3 PRO 42 1HB PRO 42 8.072 -9.629 7.463 315 HG2 PRO 42 2HG PRO 42 6.242 -8.800 5.292 316 HG3 PRO 42 1HG PRO 42 5.871 -9.177 6.982 317 HD2 PRO 42 2HD PRO 42 6.161 -6.576 5.766 318 HD3 PRO 42 1HD PRO 42 5.774 -6.939 7.460 319 H ARG 43 H ARG 43 9.855 -5.578 5.813 320 HA ARG 43 HA ARG 43 9.728 -5.869 3.024 321 HB2 ARG 43 2HB ARG 43 11.865 -4.375 3.087 322 HB3 ARG 43 1HB ARG 43 10.371 -3.735 3.764 323 HG2 ARG 43 2HG ARG 43 11.980 -5.309 5.665 324 HG3 ARG 43 1HG ARG 43 12.762 -3.831 5.104 325 HD2 ARG 43 2HD ARG 43 9.949 -3.384 5.714 326 HD3 ARG 43 1HD ARG 43 10.825 -4.012 7.111 327 HE ARG 43 HE ARG 43 11.663 -1.821 7.285 328 HH11 ARG 43 1HH2 ARG 43 10.088 -0.818 4.900 329 HH12 ARG 43 2HH2 ARG 43 11.353 -0.245 3.866 330 HH21 ARG 43 1HH1 ARG 43 13.866 -1.934 5.559 331 HH22 ARG 43 2HH1 ARG 43 13.492 -0.881 4.236 332 H GLY 44 H GLY 44 11.598 -6.245 1.521 333 HA2 GLY 44 2HA GLY 44 14.004 -7.438 1.998 334 HA3 GLY 44 1HA GLY 44 12.870 -8.772 2.188 335 H ASP 45 H ASP 45 14.463 -9.292 0.191 336 HA ASP 45 HA ASP 45 13.505 -8.090 -2.326 337 HB2 ASP 45 2HB ASP 45 15.887 -9.357 -1.487 338 HB3 ASP 45 1HB ASP 45 15.166 -10.426 -2.692 339 H MET 46 H MET 46 12.788 -10.788 -0.322 340 HA MET 46 HA MET 46 11.850 -12.641 -2.273 341 HB2 MET 46 2HB MET 46 11.720 -12.335 0.611 342 HB3 MET 46 1HB MET 46 10.203 -12.962 -0.036 343 HG2 MET 46 2HG MET 46 11.137 -14.977 -0.401 344 HG3 MET 46 1HG MET 46 12.425 -14.245 -1.357 345 HE1 MET 46 3HE MET 46 13.686 -16.409 -0.412 346 HE2 MET 46 1HE MET 46 15.005 -15.917 0.658 347 HE3 MET 46 2HE MET 46 14.660 -14.994 -0.802 348 HA PRO 47 HA PRO 47 7.583 -10.559 -1.755 349 HB2 PRO 47 2HB PRO 47 7.493 -8.228 -0.285 350 HB3 PRO 47 1HB PRO 47 7.266 -9.843 0.405 351 HG2 PRO 47 2HG PRO 47 9.608 -8.024 0.621 352 HG3 PRO 47 1HG PRO 47 9.100 -9.330 1.704 353 HD2 PRO 47 2HD PRO 47 11.182 -9.447 -0.230 354 HD3 PRO 47 1HD PRO 47 10.520 -10.818 0.683 355 H GLY 48 H GLY 48 6.558 -8.858 -3.029 356 HA2 GLY 48 2HA GLY 48 8.430 -6.911 -4.249 357 HA3 GLY 48 1HA GLY 48 7.409 -7.906 -5.277 358 HA PRO 49 HA PRO 49 4.329 -5.078 -2.928 359 HB2 PRO 49 2HB PRO 49 5.351 -3.484 -0.950 360 HB3 PRO 49 1HB PRO 49 4.783 -5.133 -0.674 361 HG2 PRO 49 2HG PRO 49 7.570 -4.122 -0.871 362 HG3 PRO 49 1HG PRO 49 6.947 -5.479 0.079 363 HD2 PRO 49 2HD PRO 49 8.337 -5.686 -2.336 364 HD3 PRO 49 1HD PRO 49 7.318 -6.951 -1.618 365 H TYR 50 H TYR 50 4.299 -2.405 -2.303 366 HA TYR 50 HA TYR 50 6.050 -1.121 -4.349 367 HB2 TYR 50 2HB TYR 50 3.302 -1.552 -4.627 368 HB3 TYR 50 1HB TYR 50 3.446 0.147 -4.176 369 HD1 TYR 50 1HD TYR 50 5.958 1.000 -5.328 370 HD2 TYR 50 2HD TYR 50 3.006 -1.664 -6.955 371 HE1 TYR 50 1HE TYR 50 6.725 1.551 -7.620 372 HE2 TYR 50 2HE TYR 50 3.774 -1.112 -9.248 373 HH TYR 50 HH TYR 50 6.631 0.257 -9.949 374 H CYS 51 H CYS 51 7.141 -0.632 -2.049 375 HA CYS 51 HA CYS 51 5.801 1.624 -0.636 376 HB2 CYS 51 2HB CYS 51 7.401 -0.167 0.458 377 HB3 CYS 51 1HB CYS 51 8.652 0.920 -0.154 378 H CYS 52 H CYS 52 6.191 3.680 -1.199 379 HA CYS 52 HA CYS 52 8.711 4.470 -2.499 380 HB2 CYS 52 2HB CYS 52 6.861 5.800 -4.103 381 HB3 CYS 52 1HB CYS 52 7.896 4.479 -4.609 382 H GLU 53 H GLU 53 9.128 6.691 -2.229 383 HA GLU 53 HA GLU 53 7.454 7.957 -0.185 384 HB2 GLU 53 2HB GLU 53 9.817 9.302 -1.442 385 HB3 GLU 53 1HB GLU 53 9.201 9.413 0.208 386 HG2 GLU 53 2HG GLU 53 10.050 7.280 0.799 387 HG3 GLU 53 1HG GLU 53 10.318 6.829 -0.882 388 H SER 54 H SER 54 6.747 7.653 -3.208 389 HA SER 54 HA SER 54 6.337 10.518 -3.863 390 HB2 SER 54 2HB SER 54 5.061 9.128 -5.839 391 HB3 SER 54 1HB SER 54 6.759 9.586 -5.900 392 HG SER 54 HG SER 54 6.670 7.403 -6.241 393 H ASP 55 H ASP 55 4.160 11.369 -4.151 394 HA ASP 55 HA ASP 55 2.298 10.363 -2.200 395 HB2 ASP 55 2HB ASP 55 1.689 12.257 -4.481 396 HB3 ASP 55 1HB ASP 55 0.793 12.085 -2.977 397 H LYS 56 H LYS 56 0.220 9.470 -2.583 398 HA LYS 56 HA LYS 56 -0.941 7.588 -3.454 399 HB2 LYS 56 2HB LYS 56 -2.276 8.267 -5.300 400 HB3 LYS 56 1HB LYS 56 -1.899 9.746 -4.423 401 HG2 LYS 56 2HG LYS 56 0.167 9.187 -6.373 402 HG3 LYS 56 1HG LYS 56 -1.417 9.221 -7.146 403 HD2 LYS 56 2HD LYS 56 -1.872 11.398 -5.991 404 HD3 LYS 56 1HD LYS 56 -0.211 11.381 -5.398 405 HE2 LYS 56 2HE LYS 56 -0.698 11.014 -8.332 406 HE3 LYS 56 1HE LYS 56 -0.807 12.637 -7.647 407 HZ1 LYS 56 3HZ LYS 56 1.463 11.689 -8.480 408 HZ2 LYS 56 1HZ LYS 56 1.497 10.964 -6.947 409 HZ3 LYS 56 2HZ LYS 56 1.388 12.654 -7.085 410 H CYS 57 H CYS 57 1.937 7.259 -3.850 411 HA CYS 57 HA CYS 57 2.451 6.416 -6.569 412 HB2 CYS 57 2HB CYS 57 4.350 6.942 -5.250 413 HB3 CYS 57 1HB CYS 57 3.832 5.883 -3.941 414 H ASN 58 H ASN 58 0.779 4.885 -3.945 415 HA ASN 58 HA ASN 58 1.349 2.170 -4.543 416 HB2 ASN 58 2HB ASN 58 -1.441 2.734 -3.769 417 HB3 ASN 58 1HB ASN 58 -0.269 1.642 -3.050 418 HD21 ASN 58 1HD2 ASN 58 -0.179 2.253 -0.917 419 HD22 ASN 58 2HD2 ASN 58 -0.008 3.847 -0.358 420 H LEU 59 H LEU 59 -0.259 4.479 -6.439 421 HA LEU 59 HA LEU 59 -1.399 2.241 -8.031 422 HB2 LEU 59 2HB LEU 59 -3.210 3.514 -6.947 423 HB3 LEU 59 1HB LEU 59 -2.603 5.001 -7.672 424 HG LEU 59 HG LEU 59 -3.210 4.339 -9.848 425 HD11 LEU 59 1HD1 LEU 59 -2.274 2.153 -10.011 426 HD12 LEU 59 2HD1 LEU 59 -4.005 1.929 -10.265 427 HD13 LEU 59 3HD1 LEU 59 -3.285 1.539 -8.703 428 HD21 LEU 59 3HD2 LEU 59 -5.556 3.752 -9.693 429 HD22 LEU 59 1HD2 LEU 59 -5.160 4.781 -8.315 430 HD23 LEU 59 2HD2 LEU 59 -5.317 3.037 -8.099 Start of MODEL 9 1 H1 ARG 1 1HT ARG 1 3.195 11.838 3.358 2 H2 ARG 1 2HT ARG 1 4.180 12.634 2.235 3 H3 ARG 1 3HT ARG 1 3.057 11.470 1.713 4 HA ARG 1 HA ARG 1 2.167 13.882 3.154 5 HB2 ARG 1 2HB ARG 1 1.717 14.035 0.291 6 HB3 ARG 1 1HB ARG 1 2.399 15.235 1.369 7 HG2 ARG 1 2HG ARG 1 4.042 14.722 -0.319 8 HG3 ARG 1 1HG ARG 1 4.609 14.059 1.206 9 HD2 ARG 1 2HD ARG 1 4.296 11.863 0.519 10 HD3 ARG 1 1HD ARG 1 2.982 12.269 -0.570 11 HE ARG 1 HE ARG 1 5.117 11.734 -1.823 12 HH11 ARG 1 1HH1 ARG 1 6.956 13.568 -0.365 13 HH12 ARG 1 2HH1 ARG 1 7.037 14.933 -1.429 14 HH21 ARG 1 1HH2 ARG 1 4.208 14.034 -3.223 15 HH22 ARG 1 2HH2 ARG 1 5.481 15.196 -3.049 16 H ILE 2 H ILE 2 1.097 12.385 0.103 17 HA ILE 2 HA ILE 2 -1.256 11.295 1.592 18 HB ILE 2 HB ILE 2 -1.349 12.585 -1.143 19 HG12 ILE 2 2HG1 ILE 2 -2.890 13.769 1.045 20 HG13 ILE 2 1HG1 ILE 2 -1.149 13.785 1.330 21 HG21 ILE 2 1HG2 ILE 2 -3.141 11.135 -1.205 22 HG22 ILE 2 2HG2 ILE 2 -3.906 12.440 -0.299 23 HG23 ILE 2 3HG2 ILE 2 -3.256 11.039 0.551 24 HD11 ILE 2 3HD1 ILE 2 -0.742 15.241 -0.391 25 HD12 ILE 2 1HD1 ILE 2 -2.421 15.700 -0.106 26 HD13 ILE 2 2HD1 ILE 2 -2.023 14.566 -1.397 27 H CYS 3 H CYS 3 -0.939 9.119 1.455 28 HA CYS 3 HA CYS 3 0.139 8.170 -1.128 29 HB2 CYS 3 2HB CYS 3 -0.067 6.794 1.552 30 HB3 CYS 3 1HB CYS 3 0.470 5.981 0.087 31 H TYR 4 H TYR 4 -0.786 5.675 -1.442 32 HA TYR 4 HA TYR 4 -3.668 6.178 -1.923 33 HB2 TYR 4 2HB TYR 4 -1.686 5.150 -3.522 34 HB3 TYR 4 1HB TYR 4 -2.485 3.686 -2.956 35 HD1 TYR 4 1HD TYR 4 -3.035 6.967 -4.610 36 HD2 TYR 4 2HD TYR 4 -4.632 3.086 -3.749 37 HE1 TYR 4 1HE TYR 4 -4.854 7.358 -6.241 38 HE2 TYR 4 2HE TYR 4 -6.456 3.470 -5.373 39 HH TYR 4 HH TYR 4 -6.597 5.169 -7.616 40 H ASN 5 H ASN 5 -5.267 4.884 -1.064 41 HA ASN 5 HA ASN 5 -4.400 2.850 0.939 42 HB2 ASN 5 2HB ASN 5 -5.438 4.653 2.094 43 HB3 ASN 5 1HB ASN 5 -6.739 4.761 0.910 44 HD21 ASN 5 1HD2 ASN 5 -5.426 1.790 2.438 45 HD22 ASN 5 2HD2 ASN 5 -6.889 1.342 3.169 46 H HIS 6 H HIS 6 -5.529 2.861 -2.119 47 HA HIS 6 HA HIS 6 -7.929 1.407 -2.130 48 HB2 HIS 6 2HB HIS 6 -7.296 1.837 -4.270 49 HB3 HIS 6 1HB HIS 6 -5.602 1.564 -3.958 50 HD1 HIS 6 1HD HIS 6 -8.209 0.182 -5.859 51 HD2 HIS 6 2HD HIS 6 -5.343 -1.541 -3.374 52 HE1 HIS 6 1HE HIS 6 -8.047 -2.249 -6.532 53 H LEU 7 H LEU 7 -8.496 -0.544 -1.471 54 HA LEU 7 HA LEU 7 -6.354 -2.363 -0.451 55 HB2 LEU 7 2HB LEU 7 -9.275 -2.102 0.305 56 HB3 LEU 7 1HB LEU 7 -8.213 -3.375 0.910 57 HG LEU 7 HG LEU 7 -6.884 -0.850 1.207 58 HD11 LEU 7 1HD1 LEU 7 -9.038 -0.580 3.081 59 HD12 LEU 7 2HD1 LEU 7 -9.711 -0.637 1.452 60 HD13 LEU 7 3HD1 LEU 7 -8.496 0.573 1.861 61 HD21 LEU 7 3HD2 LEU 7 -6.181 -2.365 2.768 62 HD22 LEU 7 1HD2 LEU 7 -7.744 -3.182 2.822 63 HD23 LEU 7 2HD2 LEU 7 -7.498 -1.688 3.727 64 H GLY 8 H GLY 8 -5.963 -4.135 -1.658 65 HA2 GLY 8 2HA GLY 8 -6.285 -5.561 -3.580 66 HA3 GLY 8 1HA GLY 8 -7.407 -6.227 -2.405 67 H THR 9 H THR 9 -9.404 -6.542 -3.193 68 HA THR 9 HA THR 9 -10.258 -5.141 -5.644 69 HB THR 9 HB THR 9 -10.633 -7.587 -5.379 70 HG1 THR 9 1HG THR 9 -13.117 -6.250 -5.330 71 HG21 THR 9 3HG2 THR 9 -12.589 -8.176 -3.809 72 HG22 THR 9 1HG2 THR 9 -12.275 -6.622 -3.039 73 HG23 THR 9 2HG2 THR 9 -11.023 -7.863 -3.060 74 H LYS 10 H LYS 10 -10.199 -4.151 -2.607 75 HA LYS 10 HA LYS 10 -12.965 -3.370 -2.127 76 HB2 LYS 10 2HB LYS 10 -10.464 -3.292 -0.729 77 HB3 LYS 10 1HB LYS 10 -11.126 -1.660 -0.750 78 HG2 LYS 10 2HG LYS 10 -13.333 -2.672 0.011 79 HG3 LYS 10 1HG LYS 10 -12.458 -4.182 0.265 80 HD2 LYS 10 2HD LYS 10 -11.360 -1.666 1.466 81 HD3 LYS 10 1HD LYS 10 -12.734 -2.451 2.247 82 HE2 LYS 10 2HE LYS 10 -10.628 -4.336 1.461 83 HE3 LYS 10 1HE LYS 10 -10.080 -3.134 2.629 84 HZ1 LYS 10 3HZ LYS 10 -11.728 -3.756 4.145 85 HZ2 LYS 10 1HZ LYS 10 -11.130 -5.227 3.548 86 HZ3 LYS 10 2HZ LYS 10 -12.612 -4.623 2.981 87 HA PRO 11 HA PRO 11 -13.043 0.447 -4.299 88 HB2 PRO 11 2HB PRO 11 -13.670 2.388 -2.442 89 HB3 PRO 11 1HB PRO 11 -14.839 1.223 -3.087 90 HG2 PRO 11 2HG PRO 11 -13.500 1.261 -0.418 91 HG3 PRO 11 1HG PRO 11 -15.079 0.599 -0.872 92 HD2 PRO 11 2HD PRO 11 -12.755 -0.909 -0.455 93 HD3 PRO 11 1HD PRO 11 -14.198 -1.479 -1.316 94 HA PRO 12 HA PRO 12 -8.940 1.999 -3.836 95 HB2 PRO 12 2HB PRO 12 -8.964 3.664 -6.027 96 HB3 PRO 12 1HB PRO 12 -8.760 1.909 -6.127 97 HG2 PRO 12 2HG PRO 12 -11.163 3.558 -6.753 98 HG3 PRO 12 1HG PRO 12 -10.674 1.993 -7.423 99 HD2 PRO 12 2HD PRO 12 -12.658 2.383 -5.458 100 HD3 PRO 12 1HD PRO 12 -11.882 0.834 -5.850 101 H THR 13 H THR 13 -8.414 3.473 -2.302 102 HA THR 13 HA THR 13 -9.374 6.262 -2.669 103 HB THR 13 HB THR 13 -10.971 5.787 -1.081 104 HG1 THR 13 1HG THR 13 -9.944 7.250 0.070 105 HG21 THR 13 3HG2 THR 13 -9.095 3.852 0.297 106 HG22 THR 13 1HG2 THR 13 -10.239 3.370 -0.957 107 HG23 THR 13 2HG2 THR 13 -10.828 4.033 0.566 108 H THR 14 H THR 14 -7.966 7.812 -1.683 109 HA THR 14 HA THR 14 -5.263 6.721 -1.135 110 HB THR 14 HB THR 14 -4.775 9.316 -1.084 111 HG1 THR 14 1HG THR 14 -6.665 10.265 -1.282 112 HG21 THR 14 3HG2 THR 14 -3.898 7.821 -2.778 113 HG22 THR 14 1HG2 THR 14 -4.552 9.252 -3.572 114 HG23 THR 14 2HG2 THR 14 -5.467 7.744 -3.578 115 H GLU 15 H GLU 15 -4.056 7.612 0.736 116 HA GLU 15 HA GLU 15 -5.825 8.549 2.946 117 HB2 GLU 15 2HB GLU 15 -4.680 6.970 4.490 118 HB3 GLU 15 1HB GLU 15 -5.584 6.127 3.232 119 HG2 GLU 15 2HG GLU 15 -3.697 5.084 2.588 120 HG3 GLU 15 1HG GLU 15 -2.973 6.647 2.210 121 H THR 16 H THR 16 -4.944 10.386 3.758 122 HA THR 16 HA THR 16 -2.290 11.239 3.046 123 HB THR 16 HB THR 16 -3.098 12.681 5.340 124 HG1 THR 16 1HG THR 16 -5.173 12.529 5.359 125 HG21 THR 16 3HG2 THR 16 -3.071 14.469 3.880 126 HG22 THR 16 1HG2 THR 16 -3.896 13.573 2.605 127 HG23 THR 16 2HG2 THR 16 -2.183 13.290 2.915 128 H CYS 17 H CYS 17 -0.378 11.014 4.149 129 HA CYS 17 HA CYS 17 -0.474 9.846 6.886 130 HB2 CYS 17 2HB CYS 17 -0.074 8.245 4.746 131 HB3 CYS 17 1HB CYS 17 1.583 8.757 5.055 132 H GLN 18 H GLN 18 2.092 9.561 7.484 133 HA GLN 18 HA GLN 18 3.174 12.314 7.263 134 HB2 GLN 18 2HB GLN 18 3.031 11.245 9.497 135 HB3 GLN 18 1HB GLN 18 4.114 9.973 8.941 136 HG2 GLN 18 2HG GLN 18 5.336 11.771 10.160 137 HG3 GLN 18 1HG GLN 18 5.871 11.601 8.492 138 HE21 GLN 18 1HE2 GLN 18 5.159 13.255 6.928 139 HE22 GLN 18 2HE2 GLN 18 4.599 14.767 7.460 140 H GLU 19 H GLU 19 4.166 8.949 6.757 141 HA GLU 19 HA GLU 19 6.782 9.624 5.769 142 HB2 GLU 19 2HB GLU 19 5.651 7.193 4.572 143 HB3 GLU 19 1HB GLU 19 7.105 7.383 5.542 144 HG2 GLU 19 2HG GLU 19 5.448 7.682 7.540 145 HG3 GLU 19 1HG GLU 19 4.280 6.912 6.465 146 H ASP 20 H ASP 20 7.337 10.431 3.824 147 HA ASP 20 HA ASP 20 5.268 11.142 1.920 148 HB2 ASP 20 2HB ASP 20 7.787 11.311 0.606 149 HB3 ASP 20 1HB ASP 20 6.814 12.630 1.245 150 H SER 21 H SER 21 7.118 8.352 2.471 151 HA SER 21 HA SER 21 7.022 7.416 -0.297 152 HB2 SER 21 2HB SER 21 7.652 5.869 2.230 153 HB3 SER 21 1HB SER 21 7.991 5.355 0.580 154 HG SER 21 HG SER 21 9.312 7.271 0.418 155 H CYS 22 H CYS 22 5.786 5.319 -0.777 156 HA CYS 22 HA CYS 22 3.413 4.986 0.983 157 HB2 CYS 22 2HB CYS 22 3.195 5.114 -2.030 158 HB3 CYS 22 1HB CYS 22 1.885 5.095 -0.854 159 H TYR 23 H TYR 23 3.079 2.840 1.349 160 HA TYR 23 HA TYR 23 4.557 0.992 -0.444 161 HB2 TYR 23 2HB TYR 23 5.034 -0.440 1.334 162 HB3 TYR 23 1HB TYR 23 5.265 1.158 2.008 163 HD1 TYR 23 1HD TYR 23 2.757 2.143 2.874 164 HD2 TYR 23 2HD TYR 23 4.086 -1.930 2.811 165 HE1 TYR 23 1HE TYR 23 1.178 1.611 4.697 166 HE2 TYR 23 2HE TYR 23 2.480 -2.469 4.627 167 HH TYR 23 HH TYR 23 0.429 -1.605 5.588 168 H LYS 24 H LYS 24 3.541 -0.403 -1.550 169 HA LYS 24 HA LYS 24 0.771 -1.169 -0.731 170 HB2 LYS 24 2HB LYS 24 0.372 0.133 -2.625 171 HB3 LYS 24 1HB LYS 24 1.832 -0.409 -3.435 172 HG2 LYS 24 2HG LYS 24 0.863 -2.633 -3.746 173 HG3 LYS 24 1HG LYS 24 -0.580 -2.140 -2.855 174 HD2 LYS 24 2HD LYS 24 -1.025 -1.970 -5.243 175 HD3 LYS 24 1HD LYS 24 -0.969 -0.353 -4.545 176 HE2 LYS 24 2HE LYS 24 0.857 0.227 -5.744 177 HE3 LYS 24 1HE LYS 24 1.650 -1.318 -5.440 178 HZ1 LYS 24 3HZ LYS 24 -0.542 -1.775 -7.111 179 HZ2 LYS 24 1HZ LYS 24 1.105 -1.956 -7.471 180 HZ3 LYS 24 2HZ LYS 24 0.333 -0.470 -7.759 181 H ASN 25 H ASN 25 0.935 -3.172 -0.022 182 HA ASN 25 HA ASN 25 2.842 -5.052 -1.340 183 HB2 ASN 25 2HB ASN 25 2.267 -6.189 1.068 184 HB3 ASN 25 1HB ASN 25 3.626 -5.115 0.812 185 HD21 ASN 25 1HD2 ASN 25 2.727 -2.580 0.923 186 HD22 ASN 25 2HD2 ASN 25 1.738 -2.282 2.262 187 H ILE 26 H ILE 26 2.136 -7.453 -0.946 188 HA ILE 26 HA ILE 26 -0.713 -7.949 -0.865 189 HB ILE 26 HB ILE 26 -1.134 -8.507 -3.092 190 HG12 ILE 26 2HG1 ILE 26 0.882 -8.705 -4.743 191 HG13 ILE 26 1HG1 ILE 26 1.843 -8.926 -3.281 192 HG21 ILE 26 1HG2 ILE 26 0.955 -6.320 -3.245 193 HG22 ILE 26 2HG2 ILE 26 -0.778 -6.104 -2.999 194 HG23 ILE 26 3HG2 ILE 26 -0.178 -6.722 -4.533 195 HD11 ILE 26 3HD1 ILE 26 -0.355 -10.579 -2.874 196 HD12 ILE 26 1HD1 ILE 26 1.254 -11.100 -3.372 197 HD13 ILE 26 2HD1 ILE 26 0.014 -10.789 -4.587 198 H TRP 27 H TRP 27 -0.760 -9.774 0.290 199 HA TRP 27 HA TRP 27 0.990 -12.036 -0.481 200 HB2 TRP 27 2HB TRP 27 0.702 -11.534 2.457 201 HB3 TRP 27 1HB TRP 27 1.979 -12.374 1.584 202 HD1 TRP 27 HD TRP 27 3.240 -10.514 -0.278 203 HE1 TRP 27 1HE TRP 27 4.234 -8.239 0.372 204 HE3 TRP 27 3HE TRP 27 0.783 -9.732 4.122 205 HZ2 TRP 27 2HZ TRP 27 4.023 -6.337 2.515 206 HZ3 TRP 27 3HZ TRP 27 1.206 -7.688 5.457 207 HH2 TRP 27 HH TRP 27 2.827 -5.990 4.660 208 H THR 28 H THR 28 -1.473 -11.133 1.981 209 HA THR 28 HA THR 28 -2.568 -13.831 1.984 210 HB THR 28 HB THR 28 -3.890 -11.348 3.091 211 HG1 THR 28 1HG THR 28 -2.709 -11.949 5.019 212 HG21 THR 28 3HG2 THR 28 -4.526 -13.168 4.838 213 HG22 THR 28 1HG2 THR 28 -4.053 -14.313 3.583 214 HG23 THR 28 2HG2 THR 28 -5.361 -13.168 3.285 215 H PHE 29 H PHE 29 -5.026 -14.079 1.643 216 HA PHE 29 HA PHE 29 -5.638 -13.132 -1.069 217 HB2 PHE 29 2HB PHE 29 -7.376 -14.816 0.753 218 HB3 PHE 29 1HB PHE 29 -7.467 -14.693 -1.005 219 HD1 PHE 29 1HD PHE 29 -5.021 -15.100 -2.165 220 HD2 PHE 29 2HD PHE 29 -6.364 -16.745 1.568 221 HE1 PHE 29 1HE PHE 29 -3.369 -16.937 -2.381 222 HE2 PHE 29 2HE PHE 29 -4.712 -18.583 1.352 223 HZ PHE 29 HZ PHE 29 -3.215 -18.679 -0.623 224 H ASP 30 H ASP 30 -7.610 -13.190 1.941 225 HA ASP 30 HA ASP 30 -9.543 -11.328 1.203 226 HB2 ASP 30 2HB ASP 30 -9.262 -10.561 3.751 227 HB3 ASP 30 1HB ASP 30 -9.948 -12.133 3.339 228 H ASN 31 H ASN 31 -6.931 -10.208 3.359 229 HA ASN 31 HA ASN 31 -7.025 -7.548 2.157 230 HB2 ASN 31 2HB ASN 31 -4.789 -8.562 3.917 231 HB3 ASN 31 1HB ASN 31 -5.442 -6.928 3.802 232 HD21 ASN 31 1HD2 ASN 31 -5.203 -8.618 6.260 233 HD22 ASN 31 2HD2 ASN 31 -6.782 -8.776 6.864 234 H ILE 32 H ILE 32 -6.650 -8.719 -0.031 235 HA ILE 32 HA ILE 32 -4.075 -9.802 -0.633 236 HB ILE 32 HB ILE 32 -5.804 -10.379 -2.117 237 HG12 ILE 32 2HG1 ILE 32 -5.081 -9.481 -4.312 238 HG13 ILE 32 1HG1 ILE 32 -4.154 -8.240 -3.478 239 HG21 ILE 32 1HG2 ILE 32 -6.606 -7.942 -3.341 240 HG22 ILE 32 2HG2 ILE 32 -6.710 -7.725 -1.594 241 HG23 ILE 32 3HG2 ILE 32 -7.581 -9.047 -2.371 242 HD11 ILE 32 3HD1 ILE 32 -3.685 -11.210 -3.526 243 HD12 ILE 32 1HD1 ILE 32 -3.034 -10.216 -2.224 244 HD13 ILE 32 2HD1 ILE 32 -2.551 -9.910 -3.892 245 H ILE 33 H ILE 33 -5.144 -6.819 -2.315 246 HA ILE 33 HA ILE 33 -2.366 -5.850 -2.047 247 HB ILE 33 HB ILE 33 -4.480 -4.237 -3.414 248 HG12 ILE 33 2HG1 ILE 33 -4.823 -6.640 -4.083 249 HG13 ILE 33 1HG1 ILE 33 -4.375 -5.577 -5.413 250 HG21 ILE 33 1HG2 ILE 33 -2.188 -4.521 -4.988 251 HG22 ILE 33 2HG2 ILE 33 -1.582 -4.465 -3.332 252 HG23 ILE 33 3HG2 ILE 33 -2.583 -3.152 -3.951 253 HD11 ILE 33 3HD1 ILE 33 -3.038 -7.604 -5.559 254 HD12 ILE 33 1HD1 ILE 33 -2.521 -7.421 -3.883 255 HD13 ILE 33 2HD1 ILE 33 -1.991 -6.261 -5.100 256 H ARG 34 H ARG 34 -1.815 -3.980 -0.949 257 HA ARG 34 HA ARG 34 -3.991 -2.405 0.272 258 HB2 ARG 34 2HB ARG 34 -3.372 -4.221 1.901 259 HB3 ARG 34 1HB ARG 34 -1.770 -3.482 1.998 260 HG2 ARG 34 2HG ARG 34 -2.730 -1.378 2.724 261 HG3 ARG 34 1HG ARG 34 -4.359 -2.002 2.507 262 HD2 ARG 34 2HD ARG 34 -4.316 -2.758 4.615 263 HD3 ARG 34 1HD ARG 34 -3.011 -3.854 4.160 264 HE ARG 34 HE ARG 34 -1.911 -1.261 4.642 265 HH11 ARG 34 1HH2 ARG 34 -3.061 -4.153 6.101 266 HH12 ARG 34 2HH2 ARG 34 -2.411 -3.786 7.664 267 HH21 ARG 34 1HH1 ARG 34 -1.204 -0.675 6.724 268 HH22 ARG 34 2HH1 ARG 34 -1.358 -1.818 8.015 269 H ARG 35 H ARG 35 -3.489 -0.457 -0.424 270 HA ARG 35 HA ARG 35 -0.690 0.402 -0.729 271 HB2 ARG 35 2HB ARG 35 -3.324 1.725 -1.390 272 HB3 ARG 35 1HB ARG 35 -1.757 2.496 -1.635 273 HG2 ARG 35 2HG ARG 35 -1.398 1.334 -3.519 274 HG3 ARG 35 1HG ARG 35 -1.762 -0.190 -2.718 275 HD2 ARG 35 2HD ARG 35 -4.259 0.697 -2.915 276 HD3 ARG 35 1HD ARG 35 -3.578 1.629 -4.249 277 HE ARG 35 HE ARG 35 -3.382 -1.355 -4.108 278 HH11 ARG 35 1HH2 ARG 35 -4.818 1.295 -5.629 279 HH12 ARG 35 2HH2 ARG 35 -4.545 0.730 -7.243 280 HH21 ARG 35 1HH1 ARG 35 -2.592 -1.958 -6.256 281 HH22 ARG 35 2HH1 ARG 35 -3.286 -1.112 -7.598 282 H GLY 36 H GLY 36 0.341 1.439 0.896 283 HA2 GLY 36 2HA GLY 36 -1.325 2.965 2.847 284 HA3 GLY 36 1HA GLY 36 -0.067 1.874 3.400 285 H CYS 37 H CYS 37 1.008 3.665 4.402 286 HA CYS 37 HA CYS 37 2.401 5.467 2.460 287 HB2 CYS 37 2HB CYS 37 2.446 7.157 4.253 288 HB3 CYS 37 1HB CYS 37 0.786 6.685 3.881 289 H GLY 38 H GLY 38 4.582 5.051 2.424 290 HA2 GLY 38 2HA GLY 38 6.738 4.717 3.355 291 HA3 GLY 38 1HA GLY 38 5.995 4.565 4.948 292 H CYS 39 H CYS 39 7.955 2.777 3.610 293 HA CYS 39 HA CYS 39 6.642 0.403 2.693 294 HB2 CYS 39 2HB CYS 39 9.292 0.627 4.101 295 HB3 CYS 39 1HB CYS 39 8.743 -0.753 3.166 296 H PHE 40 H PHE 40 6.230 -1.545 3.810 297 HA PHE 40 HA PHE 40 4.995 -1.185 6.371 298 HB2 PHE 40 2HB PHE 40 5.046 -3.775 6.353 299 HB3 PHE 40 1HB PHE 40 4.141 -2.958 5.091 300 HD1 PHE 40 2HD PHE 40 7.752 -2.695 4.866 301 HD2 PHE 40 1HD PHE 40 4.362 -5.072 3.754 302 HE1 PHE 40 2HE PHE 40 9.134 -3.845 3.182 303 HE2 PHE 40 1HE PHE 40 5.757 -6.234 2.058 304 HZ PHE 40 HZ PHE 40 8.139 -5.626 1.776 305 H THR 41 H THR 41 5.687 -2.810 8.260 306 HA THR 41 HA THR 41 8.353 -1.927 9.022 307 HB THR 41 HB THR 41 6.718 -3.860 10.627 308 HG1 THR 41 1HG THR 41 6.218 -1.178 10.002 309 HG21 THR 41 3HG2 THR 41 8.224 -3.336 12.202 310 HG22 THR 41 1HG2 THR 41 7.886 -1.616 12.000 311 HG23 THR 41 2HG2 THR 41 9.104 -2.400 10.994 312 HA PRO 42 HA PRO 42 9.350 -6.557 8.989 313 HB2 PRO 42 2HB PRO 42 7.515 -8.282 7.888 314 HB3 PRO 42 1HB PRO 42 7.522 -7.811 9.596 315 HG2 PRO 42 2HG PRO 42 5.641 -7.003 7.453 316 HG3 PRO 42 1HG PRO 42 5.423 -6.953 9.210 317 HD2 PRO 42 2HD PRO 42 6.082 -4.772 7.464 318 HD3 PRO 42 1HD PRO 42 5.931 -4.714 9.232 319 H ARG 43 H ARG 43 9.857 -4.736 6.894 320 HA ARG 43 HA ARG 43 9.387 -5.742 4.275 321 HB2 ARG 43 2HB ARG 43 11.370 -4.418 3.607 322 HB3 ARG 43 1HB ARG 43 10.307 -3.501 4.667 323 HG2 ARG 43 2HG ARG 43 11.832 -4.522 6.570 324 HG3 ARG 43 1HG ARG 43 12.992 -4.686 5.253 325 HD2 ARG 43 2HD ARG 43 12.140 -2.149 4.813 326 HD3 ARG 43 1HD ARG 43 11.957 -2.235 6.564 327 HE ARG 43 HE ARG 43 14.518 -2.522 5.085 328 HH11 ARG 43 1HH2 ARG 43 14.054 -4.179 7.678 329 HH12 ARG 43 2HH2 ARG 43 14.839 -3.155 8.833 330 HH21 ARG 43 1HH1 ARG 43 14.962 -0.412 6.717 331 HH22 ARG 43 2HH1 ARG 43 15.353 -1.024 8.289 332 H GLY 44 H GLY 44 11.428 -6.455 2.890 333 HA2 GLY 44 2HA GLY 44 13.591 -7.855 3.656 334 HA3 GLY 44 1HA GLY 44 12.300 -8.969 4.093 335 H ASP 45 H ASP 45 13.365 -10.375 2.414 336 HA ASP 45 HA ASP 45 12.909 -9.513 -0.383 337 HB2 ASP 45 2HB ASP 45 14.377 -11.786 0.931 338 HB3 ASP 45 1HB ASP 45 13.923 -11.903 -0.769 339 H MET 46 H MET 46 11.155 -11.020 2.040 340 HA MET 46 HA MET 46 9.847 -13.066 0.453 341 HB2 MET 46 2HB MET 46 9.950 -12.462 3.151 342 HB3 MET 46 1HB MET 46 8.298 -12.030 2.710 343 HG2 MET 46 2HG MET 46 9.626 -14.685 2.088 344 HG3 MET 46 1HG MET 46 8.474 -14.410 3.396 345 HE1 MET 46 3HE MET 46 5.197 -13.561 1.752 346 HE2 MET 46 1HE MET 46 6.400 -12.864 2.845 347 HE3 MET 46 2HE MET 46 5.856 -14.524 3.073 348 HA PRO 47 HA PRO 47 6.404 -9.789 0.087 349 HB2 PRO 47 2HB PRO 47 6.917 -7.292 1.092 350 HB3 PRO 47 1HB PRO 47 6.202 -8.602 2.047 351 HG2 PRO 47 2HG PRO 47 8.953 -7.483 2.172 352 HG3 PRO 47 1HG PRO 47 8.044 -8.362 3.411 353 HD2 PRO 47 2HD PRO 47 10.088 -9.415 1.728 354 HD3 PRO 47 1HD PRO 47 9.047 -10.338 2.827 355 H GLY 48 H GLY 48 5.992 -8.121 -1.501 356 HA2 GLY 48 2HA GLY 48 8.294 -6.782 -2.733 357 HA3 GLY 48 1HA GLY 48 7.404 -7.909 -3.758 358 HA PRO 49 HA PRO 49 4.208 -4.556 -2.499 359 HB2 PRO 49 2HB PRO 49 5.142 -2.494 -0.940 360 HB3 PRO 49 1HB PRO 49 4.423 -3.965 -0.280 361 HG2 PRO 49 2HG PRO 49 7.297 -3.177 -0.413 362 HG3 PRO 49 1HG PRO 49 6.456 -4.178 0.773 363 HD2 PRO 49 2HD PRO 49 8.067 -5.189 -1.278 364 HD3 PRO 49 1HD PRO 49 6.831 -6.120 -0.409 365 H TYR 50 H TYR 50 4.266 -1.863 -2.525 366 HA TYR 50 HA TYR 50 6.136 -1.138 -4.732 367 HB2 TYR 50 2HB TYR 50 3.466 -1.443 -5.102 368 HB3 TYR 50 1HB TYR 50 3.509 0.243 -4.589 369 HD1 TYR 50 2HD TYR 50 4.643 -2.176 -7.137 370 HD2 TYR 50 1HD TYR 50 4.601 1.947 -5.932 371 HE1 TYR 50 2HE TYR 50 5.446 -1.512 -9.387 372 HE2 TYR 50 1HE TYR 50 5.405 2.612 -8.182 373 HH TYR 50 HH TYR 50 5.262 1.535 -10.577 374 H CYS 51 H CYS 51 7.442 -0.353 -2.885 375 HA CYS 51 HA CYS 51 6.438 1.823 -1.208 376 HB2 CYS 51 2HB CYS 51 9.134 0.583 -1.735 377 HB3 CYS 51 1HB CYS 51 9.007 2.116 -0.871 378 H CYS 52 H CYS 52 5.989 3.762 -2.231 379 HA CYS 52 HA CYS 52 7.984 4.703 -4.254 380 HB2 CYS 52 2HB CYS 52 5.878 4.120 -5.364 381 HB3 CYS 52 1HB CYS 52 4.996 5.193 -4.287 382 H GLU 53 H GLU 53 8.170 7.016 -4.384 383 HA GLU 53 HA GLU 53 7.500 8.335 -1.788 384 HB2 GLU 53 2HB GLU 53 9.701 9.291 -3.600 385 HB3 GLU 53 1HB GLU 53 9.524 9.497 -1.855 386 HG2 GLU 53 2HG GLU 53 9.931 7.111 -1.499 387 HG3 GLU 53 1HG GLU 53 10.050 6.854 -3.240 388 H SER 54 H SER 54 5.420 8.602 -3.138 389 HA SER 54 HA SER 54 5.374 11.361 -4.089 390 HB2 SER 54 2HB SER 54 4.047 9.719 -6.097 391 HB3 SER 54 1HB SER 54 5.217 11.015 -6.317 392 HG SER 54 HG SER 54 6.824 9.593 -6.272 393 H ASP 55 H ASP 55 3.191 12.163 -4.053 394 HA ASP 55 HA ASP 55 1.498 10.735 -2.219 395 HB2 ASP 55 2HB ASP 55 0.286 12.837 -3.939 396 HB3 ASP 55 1HB ASP 55 0.168 12.604 -2.199 397 H LYS 56 H LYS 56 -0.282 9.452 -2.630 398 HA LYS 56 HA LYS 56 -1.583 7.943 -3.896 399 HB2 LYS 56 2HB LYS 56 -2.756 9.957 -4.564 400 HB3 LYS 56 1HB LYS 56 -1.489 10.367 -5.719 401 HG2 LYS 56 2HG LYS 56 -2.488 7.698 -6.228 402 HG3 LYS 56 1HG LYS 56 -3.812 8.865 -6.221 403 HD2 LYS 56 2HD LYS 56 -1.358 9.731 -7.635 404 HD3 LYS 56 1HD LYS 56 -2.242 8.405 -8.391 405 HE2 LYS 56 2HE LYS 56 -3.534 10.999 -7.502 406 HE3 LYS 56 1HE LYS 56 -2.989 10.689 -9.150 407 HZ1 LYS 56 3HZ LYS 56 -4.420 8.541 -8.830 408 HZ2 LYS 56 1HZ LYS 56 -5.145 10.005 -9.285 409 HZ3 LYS 56 2HZ LYS 56 -5.215 9.490 -7.667 410 H CYS 57 H CYS 57 1.221 7.560 -4.035 411 HA CYS 57 HA CYS 57 1.813 7.121 -6.905 412 HB2 CYS 57 2HB CYS 57 3.441 8.193 -5.233 413 HB3 CYS 57 1HB CYS 57 3.670 6.563 -4.600 414 H ASN 58 H ASN 58 0.729 5.188 -4.200 415 HA ASN 58 HA ASN 58 1.914 2.796 -5.413 416 HB2 ASN 58 2HB ASN 58 0.417 1.725 -3.464 417 HB3 ASN 58 1HB ASN 58 2.035 2.342 -3.185 418 HD21 ASN 58 1HD2 ASN 58 0.635 2.333 -0.911 419 HD22 ASN 58 2HD2 ASN 58 -0.030 3.857 -0.533 420 H LEU 59 H LEU 59 -0.199 4.382 -6.790 421 HA LEU 59 HA LEU 59 -2.670 2.919 -6.723 422 HB2 LEU 59 2HB LEU 59 -1.734 5.187 -8.022 423 HB3 LEU 59 1HB LEU 59 -1.966 4.036 -9.338 424 HG LEU 59 HG LEU 59 -4.014 4.882 -7.280 425 HD11 LEU 59 1HD1 LEU 59 -5.136 5.256 -9.720 426 HD12 LEU 59 2HD1 LEU 59 -3.440 5.533 -10.116 427 HD13 LEU 59 3HD1 LEU 59 -4.227 6.507 -8.874 428 HD21 LEU 59 3HD2 LEU 59 -4.595 3.032 -9.575 429 HD22 LEU 59 1HD2 LEU 59 -5.463 3.220 -8.052 430 HD23 LEU 59 2HD2 LEU 59 -3.920 2.368 -8.087 Start of MODEL 10 1 H1 ARG 1 1HT ARG 1 2.239 13.396 3.901 2 H2 ARG 1 2HT ARG 1 1.510 14.741 3.162 3 H3 ARG 1 3HT ARG 1 3.199 14.561 3.127 4 HA ARG 1 HA ARG 1 2.136 13.991 0.998 5 HB2 ARG 1 2HB ARG 1 3.967 12.384 2.590 6 HB3 ARG 1 1HB ARG 1 3.093 11.396 1.423 7 HG2 ARG 1 2HG ARG 1 4.224 14.009 0.503 8 HG3 ARG 1 1HG ARG 1 5.330 12.655 0.737 9 HD2 ARG 1 2HD ARG 1 2.806 12.461 -0.926 10 HD3 ARG 1 1HD ARG 1 4.380 12.857 -1.603 11 HE ARG 1 HE ARG 1 5.083 10.622 -1.249 12 HH11 ARG 1 1HH1 ARG 1 1.780 11.133 -0.390 13 HH12 ARG 1 2HH1 ARG 1 1.553 9.524 0.195 14 HH21 ARG 1 1HH2 ARG 1 4.849 8.592 -0.242 15 HH22 ARG 1 2HH2 ARG 1 3.274 8.096 0.276 16 H ILE 2 H ILE 2 0.586 12.655 -0.109 17 HA ILE 2 HA ILE 2 -1.178 11.059 1.719 18 HB ILE 2 HB ILE 2 -2.065 12.389 -0.836 19 HG12 ILE 2 2HG1 ILE 2 -3.099 13.685 1.484 20 HG13 ILE 2 1HG1 ILE 2 -1.347 13.565 1.657 21 HG21 ILE 2 1HG2 ILE 2 -4.141 12.097 1.058 22 HG22 ILE 2 2HG2 ILE 2 -3.232 10.587 1.107 23 HG23 ILE 2 3HG2 ILE 2 -3.908 11.159 -0.417 24 HD11 ILE 2 3HD1 ILE 2 -1.374 15.477 0.398 25 HD12 ILE 2 1HD1 ILE 2 -2.948 15.110 -0.308 26 HD13 ILE 2 2HD1 ILE 2 -1.496 14.328 -0.934 27 H CYS 3 H CYS 3 -0.922 8.925 1.264 28 HA CYS 3 HA CYS 3 -0.579 8.269 -1.609 29 HB2 CYS 3 2HB CYS 3 1.222 7.616 0.223 30 HB3 CYS 3 1HB CYS 3 0.100 6.286 0.530 31 H TYR 4 H TYR 4 -1.403 5.689 -1.771 32 HA TYR 4 HA TYR 4 -4.249 5.916 -0.973 33 HB2 TYR 4 2HB TYR 4 -2.755 4.106 -2.875 34 HB3 TYR 4 1HB TYR 4 -4.358 3.679 -2.317 35 HD1 TYR 4 1HD TYR 4 -2.535 6.668 -3.681 36 HD2 TYR 4 2HD TYR 4 -6.163 4.372 -3.576 37 HE1 TYR 4 1HE TYR 4 -3.540 8.171 -5.374 38 HE2 TYR 4 2HE TYR 4 -7.166 5.878 -5.267 39 HH TYR 4 HH TYR 4 -6.596 8.541 -5.924 40 H ASN 5 H ASN 5 -5.222 4.454 0.425 41 HA ASN 5 HA ASN 5 -3.385 2.615 1.884 42 HB2 ASN 5 2HB ASN 5 -4.082 4.037 3.559 43 HB3 ASN 5 1HB ASN 5 -5.602 4.410 2.752 44 HD21 ASN 5 1HD2 ASN 5 -4.241 1.199 3.628 45 HD22 ASN 5 2HD2 ASN 5 -5.554 0.741 4.596 46 H HIS 6 H HIS 6 -6.350 2.955 0.095 47 HA HIS 6 HA HIS 6 -7.754 0.667 0.886 48 HB2 HIS 6 2HB HIS 6 -9.071 0.981 -1.019 49 HB3 HIS 6 1HB HIS 6 -8.361 2.575 -0.803 50 HD1 HIS 6 1HD HIS 6 -6.054 2.955 -2.254 51 HD2 HIS 6 2HD HIS 6 -8.596 -0.093 -3.522 52 HE1 HIS 6 1HE HIS 6 -5.402 2.427 -4.644 53 H LEU 7 H LEU 7 -7.736 -1.494 0.291 54 HA LEU 7 HA LEU 7 -5.201 -2.500 -0.815 55 HB2 LEU 7 2HB LEU 7 -7.577 -3.750 0.554 56 HB3 LEU 7 1HB LEU 7 -6.398 -4.753 -0.290 57 HG LEU 7 HG LEU 7 -4.591 -3.745 1.077 58 HD11 LEU 7 1HD1 LEU 7 -5.265 -2.400 3.071 59 HD12 LEU 7 2HD1 LEU 7 -6.921 -2.383 2.465 60 HD13 LEU 7 3HD1 LEU 7 -5.641 -1.585 1.553 61 HD21 LEU 7 3HD2 LEU 7 -5.512 -5.825 1.868 62 HD22 LEU 7 1HD2 LEU 7 -6.924 -5.007 2.541 63 HD23 LEU 7 2HD2 LEU 7 -5.336 -4.773 3.274 64 H GLY 8 H GLY 8 -5.013 -3.577 -2.763 65 HA2 GLY 8 1HA GLY 8 -5.575 -3.804 -5.067 66 HA3 GLY 8 2HA GLY 8 -6.750 -4.910 -4.360 67 H THR 9 H THR 9 -8.700 -4.551 -5.284 68 HA THR 9 HA THR 9 -9.492 -1.729 -5.878 69 HB THR 9 HB THR 9 -11.254 -3.050 -7.338 70 HG1 THR 9 1HG THR 9 -10.887 -5.108 -7.092 71 HG21 THR 9 3HG2 THR 9 -9.552 -1.557 -8.256 72 HG22 THR 9 1HG2 THR 9 -9.622 -3.034 -9.216 73 HG23 THR 9 2HG2 THR 9 -8.319 -2.801 -8.052 74 H LYS 10 H LYS 10 -9.813 -3.646 -3.409 75 HA LYS 10 HA LYS 10 -12.537 -4.234 -2.984 76 HB2 LYS 10 2HB LYS 10 -10.115 -4.103 -1.470 77 HB3 LYS 10 1HB LYS 10 -11.364 -3.306 -0.542 78 HG2 LYS 10 2HG LYS 10 -12.791 -5.252 -0.639 79 HG3 LYS 10 1HG LYS 10 -11.721 -6.028 -1.805 80 HD2 LYS 10 2HD LYS 10 -10.535 -6.917 -0.118 81 HD3 LYS 10 1HD LYS 10 -10.153 -5.296 0.462 82 HE2 LYS 10 2HE LYS 10 -12.870 -5.906 1.153 83 HE3 LYS 10 1HE LYS 10 -11.836 -7.227 1.693 84 HZ1 LYS 10 3HZ LYS 10 -10.370 -5.141 2.417 85 HZ2 LYS 10 1HZ LYS 10 -11.520 -5.861 3.434 86 HZ3 LYS 10 2HZ LYS 10 -11.918 -4.457 2.563 87 HA PRO 11 HA PRO 11 -14.479 -0.347 -2.157 88 HB2 PRO 11 2HB PRO 11 -15.654 -0.544 0.306 89 HB3 PRO 11 1HB PRO 11 -16.212 -1.396 -1.143 90 HG2 PRO 11 2HG PRO 11 -14.768 -2.476 1.222 91 HG3 PRO 11 1HG PRO 11 -15.816 -3.316 0.068 92 HD2 PRO 11 2HD PRO 11 -12.973 -3.352 0.113 93 HD3 PRO 11 1HD PRO 11 -14.022 -4.011 -1.157 94 HA PRO 12 HA PRO 12 -12.145 1.599 1.588 95 HB2 PRO 12 2HB PRO 12 -9.445 1.130 1.428 96 HB3 PRO 12 1HB PRO 12 -10.558 0.187 2.433 97 HG2 PRO 12 2HG PRO 12 -9.245 -0.587 -0.114 98 HG3 PRO 12 1HG PRO 12 -9.895 -1.615 1.167 99 HD2 PRO 12 2HD PRO 12 -11.103 -0.998 -1.317 100 HD3 PRO 12 1HD PRO 12 -11.863 -1.861 0.031 101 H THR 13 H THR 13 -10.050 3.277 1.381 102 HA THR 13 HA THR 13 -9.985 4.226 -1.448 103 HB THR 13 HB THR 13 -11.862 5.351 -0.205 104 HG1 THR 13 1HG THR 13 -11.176 6.617 -1.776 105 HG21 THR 13 3HG2 THR 13 -10.378 7.223 1.293 106 HG22 THR 13 1HG2 THR 13 -9.741 5.639 1.732 107 HG23 THR 13 2HG2 THR 13 -11.462 5.977 1.916 108 H THR 14 H THR 14 -8.795 6.716 -0.834 109 HA THR 14 HA THR 14 -6.045 5.854 -0.407 110 HB THR 14 HB THR 14 -5.551 8.306 -0.718 111 HG1 THR 14 1HG THR 14 -7.266 9.426 -0.165 112 HG21 THR 14 3HG2 THR 14 -5.372 7.323 -2.757 113 HG22 THR 14 1HG2 THR 14 -6.845 8.233 -3.089 114 HG23 THR 14 2HG2 THR 14 -6.944 6.533 -2.628 115 H GLU 15 H GLU 15 -4.694 7.431 1.026 116 HA GLU 15 HA GLU 15 -6.041 8.311 3.486 117 HB2 GLU 15 2HB GLU 15 -4.332 5.856 3.339 118 HB3 GLU 15 1HB GLU 15 -4.196 6.881 4.764 119 HG2 GLU 15 2HG GLU 15 -6.711 5.556 3.707 120 HG3 GLU 15 1HG GLU 15 -5.876 5.200 5.217 121 H THR 16 H THR 16 -4.595 9.658 4.777 122 HA THR 16 HA THR 16 -2.292 10.627 3.155 123 HB THR 16 HB THR 16 -3.223 12.052 5.607 124 HG1 THR 16 1HG THR 16 -4.651 13.087 3.787 125 HG21 THR 16 3HG2 THR 16 -1.558 12.552 3.335 126 HG22 THR 16 1HG2 THR 16 -1.843 13.586 4.735 127 HG23 THR 16 2HG2 THR 16 -2.890 13.707 3.323 128 H CYS 17 H CYS 17 -0.250 10.572 3.958 129 HA CYS 17 HA CYS 17 0.182 9.735 6.773 130 HB2 CYS 17 2HB CYS 17 1.697 8.420 4.516 131 HB3 CYS 17 1HB CYS 17 1.579 7.908 6.200 132 H GLN 18 H GLN 18 2.514 10.099 7.393 133 HA GLN 18 HA GLN 18 3.437 12.609 6.169 134 HB2 GLN 18 2HB GLN 18 3.501 12.282 8.617 135 HB3 GLN 18 1HB GLN 18 4.666 10.985 8.400 136 HG2 GLN 18 2HG GLN 18 5.770 13.180 8.881 137 HG3 GLN 18 1HG GLN 18 6.242 12.491 7.336 138 HE21 GLN 18 1HE2 GLN 18 5.191 13.398 5.356 139 HE22 GLN 18 2HE2 GLN 18 4.565 14.976 5.374 140 H GLU 19 H GLU 19 4.329 9.265 6.271 141 HA GLU 19 HA GLU 19 7.025 9.602 5.371 142 HB2 GLU 19 2HB GLU 19 5.799 7.192 4.266 143 HB3 GLU 19 1HB GLU 19 7.145 7.335 5.388 144 HG2 GLU 19 2HG GLU 19 4.197 7.443 6.105 145 HG3 GLU 19 1HG GLU 19 5.315 6.128 6.464 146 H ASP 20 H ASP 20 7.739 10.255 3.446 147 HA ASP 20 HA ASP 20 5.858 10.876 1.315 148 HB2 ASP 20 2HB ASP 20 8.382 11.018 0.147 149 HB3 ASP 20 1HB ASP 20 7.498 12.358 0.866 150 H SER 21 H SER 21 7.166 8.020 2.310 151 HA SER 21 HA SER 21 7.733 6.916 -0.327 152 HB2 SER 21 2HB SER 21 7.311 4.815 1.510 153 HB3 SER 21 1HB SER 21 8.859 5.447 0.969 154 HG SER 21 HG SER 21 9.061 6.504 2.789 155 H CYS 22 H CYS 22 6.434 4.846 -0.931 156 HA CYS 22 HA CYS 22 3.580 4.955 -0.093 157 HB2 CYS 22 2HB CYS 22 4.710 5.558 -2.803 158 HB3 CYS 22 1HB CYS 22 3.222 4.619 -2.725 159 H TYR 23 H TYR 23 3.149 2.773 0.386 160 HA TYR 23 HA TYR 23 4.798 0.841 -1.151 161 HB2 TYR 23 2HB TYR 23 4.928 -0.648 0.674 162 HB3 TYR 23 1HB TYR 23 5.326 0.931 1.306 163 HD1 TYR 23 2HD TYR 23 2.954 2.271 2.043 164 HD2 TYR 23 1HD TYR 23 3.707 -1.950 2.069 165 HE1 TYR 23 2HE TYR 23 1.198 1.967 3.754 166 HE2 TYR 23 1HE TYR 23 1.956 -2.254 3.792 167 HH TYR 23 HH TYR 23 0.074 0.525 5.002 168 H LYS 24 H LYS 24 3.994 -0.717 -2.175 169 HA LYS 24 HA LYS 24 1.041 -1.251 -1.965 170 HB2 LYS 24 2HB LYS 24 2.709 -0.555 -4.299 171 HB3 LYS 24 1HB LYS 24 1.651 -1.954 -4.533 172 HG2 LYS 24 2HG LYS 24 -0.046 -0.303 -3.253 173 HG3 LYS 24 1HG LYS 24 0.964 0.875 -4.081 174 HD2 LYS 24 2HD LYS 24 -0.498 -1.443 -5.367 175 HD3 LYS 24 1HD LYS 24 -0.904 0.266 -5.536 176 HE2 LYS 24 2HE LYS 24 0.363 -0.034 -7.450 177 HE3 LYS 24 1HE LYS 24 1.626 0.440 -6.316 178 HZ1 LYS 24 3HZ LYS 24 1.752 -1.760 -7.781 179 HZ2 LYS 24 1HZ LYS 24 0.971 -2.392 -6.415 180 HZ3 LYS 24 2HZ LYS 24 2.479 -1.629 -6.252 181 H ASN 25 H ASN 25 1.056 -3.178 -0.916 182 HA ASN 25 HA ASN 25 2.927 -5.292 -1.904 183 HB2 ASN 25 2HB ASN 25 2.237 -6.228 0.527 184 HB3 ASN 25 1HB ASN 25 3.567 -5.100 0.304 185 HD21 ASN 25 1HD2 ASN 25 2.710 -2.661 0.239 186 HD22 ASN 25 2HD2 ASN 25 1.556 -2.262 1.411 187 H ILE 26 H ILE 26 2.093 -7.537 -1.730 188 HA ILE 26 HA ILE 26 -0.812 -7.600 -2.405 189 HB ILE 26 HB ILE 26 -0.379 -9.488 -3.800 190 HG12 ILE 26 2HG1 ILE 26 1.321 -10.462 -2.110 191 HG13 ILE 26 1HG1 ILE 26 1.613 -10.758 -3.819 192 HG21 ILE 26 1HG2 ILE 26 1.279 -7.079 -4.061 193 HG22 ILE 26 2HG2 ILE 26 0.249 -7.873 -5.252 194 HG23 ILE 26 3HG2 ILE 26 1.887 -8.464 -4.970 195 HD11 ILE 26 3HD1 ILE 26 2.874 -8.289 -3.222 196 HD12 ILE 26 1HD1 ILE 26 3.647 -9.830 -3.585 197 HD13 ILE 26 2HD1 ILE 26 3.292 -9.393 -1.916 198 H TRP 27 H TRP 27 1.344 -8.415 0.015 199 HA TRP 27 HA TRP 27 0.260 -10.967 0.830 200 HB2 TRP 27 2HB TRP 27 1.597 -8.904 2.593 201 HB3 TRP 27 1HB TRP 27 1.542 -10.653 2.837 202 HD1 TRP 27 HD TRP 27 3.237 -7.964 0.737 203 HE1 TRP 27 1HE TRP 27 5.237 -9.007 -0.510 204 HE3 TRP 27 3HE TRP 27 2.507 -12.889 1.869 205 HZ2 TRP 27 2HZ TRP 27 6.378 -11.594 -0.964 206 HZ3 TRP 27 3HZ TRP 27 4.064 -14.620 1.019 207 HH2 TRP 27 HH TRP 27 5.997 -13.978 -0.395 208 H THR 28 H THR 28 -1.963 -10.963 1.115 209 HA THR 28 HA THR 28 -2.976 -9.432 3.413 210 HB THR 28 HB THR 28 -3.205 -8.059 1.202 211 HG1 THR 28 1HG THR 28 -5.604 -7.785 1.994 212 HG21 THR 28 3HG2 THR 28 -5.641 -9.821 0.895 213 HG22 THR 28 1HG2 THR 28 -4.154 -10.103 -0.013 214 HG23 THR 28 2HG2 THR 28 -5.036 -8.589 -0.212 215 H PHE 29 H PHE 29 -5.511 -10.004 3.545 216 HA PHE 29 HA PHE 29 -5.664 -12.959 3.126 217 HB2 PHE 29 2HB PHE 29 -6.946 -11.123 5.160 218 HB3 PHE 29 1HB PHE 29 -7.493 -12.781 4.911 219 HD1 PHE 29 1HD PHE 29 -5.293 -14.457 4.619 220 HD2 PHE 29 2HD PHE 29 -5.523 -10.877 6.983 221 HE1 PHE 29 1HE PHE 29 -3.451 -15.287 6.057 222 HE2 PHE 29 2HE PHE 29 -3.681 -11.708 8.420 223 HZ PHE 29 HZ PHE 29 -2.646 -13.914 7.957 224 H ASP 30 H ASP 30 -8.101 -10.371 3.549 225 HA ASP 30 HA ASP 30 -9.993 -11.645 1.803 226 HB2 ASP 30 2HB ASP 30 -9.749 -8.958 3.101 227 HB3 ASP 30 1HB ASP 30 -10.913 -9.148 1.788 228 H ASN 31 H ASN 31 -8.852 -8.352 1.156 229 HA ASN 31 HA ASN 31 -9.082 -8.627 -1.671 230 HB2 ASN 31 2HB ASN 31 -8.684 -6.523 0.009 231 HB3 ASN 31 1HB ASN 31 -7.065 -6.700 -0.670 232 HD21 ASN 31 1HD2 ASN 31 -10.271 -7.267 -2.213 233 HD22 ASN 31 2HD2 ASN 31 -10.027 -6.155 -3.473 234 H ILE 32 H ILE 32 -6.419 -7.476 -2.341 235 HA ILE 32 HA ILE 32 -4.650 -9.831 -1.884 236 HB ILE 32 HB ILE 32 -4.885 -8.576 -4.608 237 HG12 ILE 32 2HG1 ILE 32 -7.144 -9.372 -3.945 238 HG13 ILE 32 1HG1 ILE 32 -6.457 -10.358 -5.237 239 HG21 ILE 32 1HG2 ILE 32 -3.824 -10.591 -5.335 240 HG22 ILE 32 2HG2 ILE 32 -4.128 -11.386 -3.790 241 HG23 ILE 32 3HG2 ILE 32 -2.953 -10.076 -3.891 242 HD11 ILE 32 3HD1 ILE 32 -7.416 -11.266 -2.753 243 HD12 ILE 32 1HD1 ILE 32 -5.660 -11.381 -2.647 244 HD13 ILE 32 2HD1 ILE 32 -6.519 -12.203 -3.948 245 H ILE 33 H ILE 33 -4.684 -6.748 -3.707 246 HA ILE 33 HA ILE 33 -1.899 -6.237 -2.891 247 HB ILE 33 HB ILE 33 -3.456 -4.121 -4.271 248 HG12 ILE 33 2HG1 ILE 33 -4.401 -6.051 -5.374 249 HG13 ILE 33 1HG1 ILE 33 -3.205 -5.345 -6.456 250 HG21 ILE 33 1HG2 ILE 33 -0.941 -4.187 -3.759 251 HG22 ILE 33 2HG2 ILE 33 -1.404 -3.776 -5.410 252 HG23 ILE 33 3HG2 ILE 33 -0.830 -5.400 -5.035 253 HD11 ILE 33 3HD1 ILE 33 -1.700 -7.084 -6.156 254 HD12 ILE 33 1HD1 ILE 33 -3.223 -7.957 -5.987 255 HD13 ILE 33 2HD1 ILE 33 -2.316 -7.482 -4.553 256 H ARG 34 H ARG 34 -1.287 -4.259 -1.794 257 HA ARG 34 HA ARG 34 -3.487 -2.895 -0.359 258 HB2 ARG 34 2HB ARG 34 -2.548 -4.705 1.122 259 HB3 ARG 34 1HB ARG 34 -1.022 -3.813 1.105 260 HG2 ARG 34 2HG ARG 34 -1.942 -1.962 2.218 261 HG3 ARG 34 1HG ARG 34 -3.583 -2.387 1.767 262 HD2 ARG 34 2HD ARG 34 -3.769 -3.299 3.825 263 HD3 ARG 34 1HD ARG 34 -2.745 -4.598 3.215 264 HE ARG 34 HE ARG 34 -1.523 -2.186 4.486 265 HH11 ARG 34 1HH1 ARG 34 -0.254 -4.854 3.367 266 HH12 ARG 34 2HH1 ARG 34 0.192 -5.598 4.866 267 HH21 ARG 34 1HH2 ARG 34 -1.724 -3.453 6.804 268 HH22 ARG 34 2HH2 ARG 34 -0.641 -4.804 6.812 269 H ARG 35 H ARG 35 -3.241 -0.939 -1.069 270 HA ARG 35 HA ARG 35 -0.594 0.250 -1.561 271 HB2 ARG 35 2HB ARG 35 -3.369 1.419 -1.821 272 HB3 ARG 35 1HB ARG 35 -1.905 2.148 -2.425 273 HG2 ARG 35 2HG ARG 35 -2.311 1.046 -4.360 274 HG3 ARG 35 1HG ARG 35 -1.852 -0.422 -3.496 275 HD2 ARG 35 2HD ARG 35 -4.013 -1.125 -3.262 276 HD3 ARG 35 1HD ARG 35 -4.633 0.513 -3.062 277 HE ARG 35 HE ARG 35 -5.302 0.149 -5.309 278 HH11 ARG 35 1HH2 ARG 35 -2.632 -1.833 -4.916 279 HH12 ARG 35 2HH2 ARG 35 -1.993 -1.590 -6.508 280 HH21 ARG 35 1HH1 ARG 35 -4.224 0.941 -7.306 281 HH22 ARG 35 2HH1 ARG 35 -2.896 -0.022 -7.862 282 H GLY 36 H GLY 36 0.291 1.831 -0.216 283 HA2 GLY 36 2HA GLY 36 -1.301 3.116 1.871 284 HA3 GLY 36 1HA GLY 36 -0.141 1.955 2.482 285 H CYS 37 H CYS 37 0.944 3.817 3.505 286 HA CYS 37 HA CYS 37 2.662 5.291 1.548 287 HB2 CYS 37 2HB CYS 37 2.221 6.633 4.139 288 HB3 CYS 37 1HB CYS 37 2.244 7.312 2.516 289 H GLY 38 H GLY 38 4.831 5.043 1.959 290 HA2 GLY 38 2HA GLY 38 6.785 4.686 3.269 291 HA3 GLY 38 1HA GLY 38 5.755 4.477 4.690 292 H CYS 39 H CYS 39 7.920 2.691 3.537 293 HA CYS 39 HA CYS 39 6.665 0.398 2.365 294 HB2 CYS 39 2HB CYS 39 9.064 0.313 4.174 295 HB3 CYS 39 1HB CYS 39 8.669 -0.804 2.883 296 H PHE 40 H PHE 40 5.964 -1.565 3.397 297 HA PHE 40 HA PHE 40 4.470 -1.122 5.799 298 HB2 PHE 40 2HB PHE 40 4.211 -3.660 5.764 299 HB3 PHE 40 1HB PHE 40 3.655 -2.800 4.340 300 HD1 PHE 40 2HD PHE 40 7.222 -2.783 4.542 301 HD2 PHE 40 1HD PHE 40 3.869 -5.188 3.360 302 HE1 PHE 40 2HE PHE 40 8.712 -4.157 3.147 303 HE2 PHE 40 1HE PHE 40 5.374 -6.574 1.962 304 HZ PHE 40 HZ PHE 40 7.800 -6.065 1.864 305 H THR 41 H THR 41 4.726 -2.654 7.761 306 HA THR 41 HA THR 41 7.307 -2.082 8.924 307 HB THR 41 HB THR 41 5.361 -3.919 10.249 308 HG1 THR 41 1HG THR 41 3.860 -2.499 9.942 309 HG21 THR 41 3HG2 THR 41 6.103 -1.873 11.948 310 HG22 THR 41 1HG2 THR 41 7.542 -2.095 10.952 311 HG23 THR 41 2HG2 THR 41 6.878 -3.455 11.858 312 HA PRO 42 HA PRO 42 7.903 -6.791 8.930 313 HB2 PRO 42 2HB PRO 42 6.148 -8.313 7.455 314 HB3 PRO 42 1HB PRO 42 5.899 -7.902 9.161 315 HG2 PRO 42 2HG PRO 42 4.501 -6.848 6.766 316 HG3 PRO 42 1HG PRO 42 3.972 -6.865 8.456 317 HD2 PRO 42 2HD PRO 42 5.068 -4.654 7.010 318 HD3 PRO 42 1HD PRO 42 4.665 -4.691 8.738 319 H ARG 43 H ARG 43 8.894 -4.945 7.077 320 HA ARG 43 HA ARG 43 8.826 -5.957 4.373 321 HB2 ARG 43 2HB ARG 43 10.765 -4.442 4.007 322 HB3 ARG 43 1HB ARG 43 9.428 -3.633 4.812 323 HG2 ARG 43 2HG ARG 43 10.677 -4.407 7.005 324 HG3 ARG 43 1HG ARG 43 12.074 -4.478 5.930 325 HD2 ARG 43 2HD ARG 43 10.821 -2.059 5.290 326 HD3 ARG 43 1HD ARG 43 10.735 -2.150 7.049 327 HE ARG 43 HE ARG 43 13.205 -1.976 5.445 328 HH11 ARG 43 1HH1 ARG 43 11.925 -0.829 8.196 329 HH12 ARG 43 2HH1 ARG 43 13.212 -1.290 9.259 330 HH21 ARG 43 1HH2 ARG 43 14.765 -3.329 6.925 331 HH22 ARG 43 2HH2 ARG 43 14.819 -2.705 8.540 332 H GLY 44 H GLY 44 11.162 -6.404 3.365 333 HA2 GLY 44 2HA GLY 44 13.308 -7.564 4.481 334 HA3 GLY 44 1HA GLY 44 12.098 -8.821 4.721 335 H ASP 45 H ASP 45 13.442 -10.160 3.252 336 HA ASP 45 HA ASP 45 13.457 -9.306 0.415 337 HB2 ASP 45 2HB ASP 45 15.112 -10.985 2.030 338 HB3 ASP 45 1HB ASP 45 14.416 -11.982 0.752 339 H MET 46 H MET 46 11.857 -11.555 2.577 340 HA MET 46 HA MET 46 10.707 -13.357 0.766 341 HB2 MET 46 2HB MET 46 10.288 -12.607 3.471 342 HB3 MET 46 1HB MET 46 8.712 -12.590 2.678 343 HG2 MET 46 2HG MET 46 8.926 -14.858 1.977 344 HG3 MET 46 1HG MET 46 10.648 -14.889 2.360 345 HE1 MET 46 3HE MET 46 7.215 -15.935 3.545 346 HE2 MET 46 1HE MET 46 7.961 -17.004 4.740 347 HE3 MET 46 2HE MET 46 8.566 -16.969 3.086 348 HA PRO 47 HA PRO 47 7.213 -10.217 -0.046 349 HB2 PRO 47 2HB PRO 47 7.491 -7.706 1.026 350 HB3 PRO 47 1HB PRO 47 6.698 -9.047 1.867 351 HG2 PRO 47 2HG PRO 47 9.367 -7.838 2.375 352 HG3 PRO 47 1HG PRO 47 8.320 -8.749 3.476 353 HD2 PRO 47 2HD PRO 47 10.618 -9.736 2.112 354 HD3 PRO 47 1HD PRO 47 9.448 -10.699 3.035 355 H GLY 48 H GLY 48 6.972 -8.458 -1.648 356 HA2 GLY 48 2HA GLY 48 9.387 -7.073 -2.533 357 HA3 GLY 48 1HA GLY 48 8.764 -8.272 -3.666 358 HA PRO 49 HA PRO 49 5.214 -5.085 -3.249 359 HB2 PRO 49 2HB PRO 49 5.540 -3.071 -1.406 360 HB3 PRO 49 1HB PRO 49 4.790 -4.627 -1.027 361 HG2 PRO 49 2HG PRO 49 7.512 -3.643 -0.332 362 HG3 PRO 49 1HG PRO 49 6.463 -4.778 0.519 363 HD2 PRO 49 2HD PRO 49 8.658 -5.506 -1.071 364 HD3 PRO 49 1HD PRO 49 7.348 -6.596 -0.568 365 H TYR 50 H TYR 50 5.213 -2.317 -3.109 366 HA TYR 50 HA TYR 50 7.596 -1.511 -4.709 367 HB2 TYR 50 2HB TYR 50 5.017 -1.851 -5.725 368 HB3 TYR 50 1HB TYR 50 5.153 -0.112 -5.464 369 HD1 TYR 50 1HD TYR 50 6.988 -3.019 -6.946 370 HD2 TYR 50 2HD TYR 50 6.334 1.226 -6.988 371 HE1 TYR 50 1HE TYR 50 8.404 -2.820 -8.972 372 HE2 TYR 50 2HE TYR 50 7.751 1.425 -9.013 373 HH TYR 50 HH TYR 50 9.056 -1.451 -10.631 374 H CYS 51 H CYS 51 8.440 -0.428 -2.811 375 HA CYS 51 HA CYS 51 6.806 1.614 -1.466 376 HB2 CYS 51 2HB CYS 51 9.201 0.295 -0.848 377 HB3 CYS 51 1HB CYS 51 9.645 1.977 -1.162 378 H CYS 52 H CYS 52 6.391 3.450 -2.614 379 HA CYS 52 HA CYS 52 8.449 4.461 -4.532 380 HB2 CYS 52 2HB CYS 52 6.348 4.059 -5.642 381 HB3 CYS 52 1HB CYS 52 5.458 4.898 -4.380 382 H GLU 53 H GLU 53 8.589 6.890 -4.587 383 HA GLU 53 HA GLU 53 8.115 7.967 -1.839 384 HB2 GLU 53 2HB GLU 53 10.242 9.043 -3.681 385 HB3 GLU 53 1HB GLU 53 10.145 9.133 -1.920 386 HG2 GLU 53 2HG GLU 53 10.642 6.793 -1.688 387 HG3 GLU 53 1HG GLU 53 10.477 6.527 -3.423 388 H SER 54 H SER 54 5.965 8.332 -3.264 389 HA SER 54 HA SER 54 5.979 11.207 -3.854 390 HB2 SER 54 2HB SER 54 6.510 10.427 -6.057 391 HB3 SER 54 1HB SER 54 5.306 9.149 -5.961 392 HG SER 54 HG SER 54 5.019 11.688 -6.750 393 H ASP 55 H ASP 55 3.753 11.992 -4.174 394 HA ASP 55 HA ASP 55 1.978 10.757 -2.261 395 HB2 ASP 55 2HB ASP 55 1.739 13.065 -2.340 396 HB3 ASP 55 1HB ASP 55 1.794 13.122 -4.099 397 H LYS 56 H LYS 56 -0.064 9.814 -2.656 398 HA LYS 56 HA LYS 56 -1.321 8.132 -3.767 399 HB2 LYS 56 2HB LYS 56 -1.144 10.479 -5.652 400 HB3 LYS 56 1HB LYS 56 -2.095 9.055 -6.064 401 HG2 LYS 56 2HG LYS 56 -3.213 9.332 -3.769 402 HG3 LYS 56 1HG LYS 56 -2.466 10.929 -3.722 403 HD2 LYS 56 2HD LYS 56 -3.547 10.980 -6.213 404 HD3 LYS 56 1HD LYS 56 -4.711 9.944 -5.385 405 HE2 LYS 56 2HE LYS 56 -5.425 11.623 -3.993 406 HE3 LYS 56 1HE LYS 56 -3.839 12.393 -3.938 407 HZ1 LYS 56 3HZ LYS 56 -4.609 12.621 -6.543 408 HZ2 LYS 56 1HZ LYS 56 -4.671 13.848 -5.375 409 HZ3 LYS 56 2HZ LYS 56 -6.046 12.899 -5.682 410 H CYS 57 H CYS 57 1.618 7.806 -4.050 411 HA CYS 57 HA CYS 57 2.183 7.199 -6.818 412 HB2 CYS 57 2HB CYS 57 3.757 7.598 -4.679 413 HB3 CYS 57 1HB CYS 57 3.757 5.833 -4.705 414 H ASN 58 H ASN 58 0.839 5.205 -4.187 415 HA ASN 58 HA ASN 58 1.390 2.626 -5.019 416 HB2 ASN 58 2HB ASN 58 -1.514 3.095 -4.656 417 HB3 ASN 58 1HB ASN 58 -0.463 1.930 -3.865 418 HD21 ASN 58 1HD2 ASN 58 0.502 2.518 -1.861 419 HD22 ASN 58 2HD2 ASN 58 0.093 3.965 -1.057 420 H LEU 59 H LEU 59 -0.621 4.977 -6.668 421 HA LEU 59 HA LEU 59 -0.721 3.081 -8.941 422 HB2 LEU 59 2HB LEU 59 -3.102 4.095 -9.351 423 HB3 LEU 59 1HB LEU 59 -2.910 2.799 -8.171 424 HG LEU 59 HG LEU 59 -2.415 5.400 -6.966 425 HD11 LEU 59 1HD1 LEU 59 -5.203 5.504 -7.189 426 HD12 LEU 59 2HD1 LEU 59 -4.640 5.192 -8.832 427 HD13 LEU 59 3HD1 LEU 59 -4.052 6.601 -7.950 428 HD21 LEU 59 3HD2 LEU 59 -4.761 4.048 -6.001 429 HD22 LEU 59 1HD2 LEU 59 -3.179 4.179 -5.232 430 HD23 LEU 59 2HD2 LEU 59 -3.514 2.847 -6.339 Start of MODEL 11 1 H1 ARG 1 1HT ARG 1 3.401 11.158 2.433 2 H2 ARG 1 2HT ARG 1 3.058 11.659 4.019 3 H3 ARG 1 3HT ARG 1 4.195 12.507 3.087 4 HA ARG 1 HA ARG 1 2.003 13.624 3.290 5 HB2 ARG 1 2HB ARG 1 1.901 14.209 0.899 6 HB3 ARG 1 1HB ARG 1 3.579 14.095 1.427 7 HG2 ARG 1 2HG ARG 1 2.183 11.710 0.217 8 HG3 ARG 1 1HG ARG 1 2.921 12.940 -0.805 9 HD2 ARG 1 2HD ARG 1 4.697 12.161 1.349 10 HD3 ARG 1 1HD ARG 1 4.222 10.768 0.386 11 HE ARG 1 HE ARG 1 5.795 11.602 -1.153 12 HH11 ARG 1 1HH1 ARG 1 5.878 14.083 0.884 13 HH12 ARG 1 2HH1 ARG 1 5.801 15.365 -0.278 14 HH21 ARG 1 1HH2 ARG 1 4.896 13.287 -2.901 15 HH22 ARG 1 2HH2 ARG 1 5.246 14.914 -2.420 16 H ILE 2 H ILE 2 0.609 12.831 0.509 17 HA ILE 2 HA ILE 2 -1.335 11.045 1.868 18 HB ILE 2 HB ILE 2 -1.641 12.354 -0.838 19 HG12 ILE 2 2HG1 ILE 2 -3.022 13.559 1.456 20 HG13 ILE 2 1HG1 ILE 2 -1.264 13.678 1.528 21 HG21 ILE 2 1HG2 ILE 2 -3.815 11.634 1.119 22 HG22 ILE 2 2HG2 ILE 2 -3.134 10.402 0.056 23 HG23 ILE 2 3HG2 ILE 2 -3.920 11.824 -0.631 24 HD11 ILE 2 3HD1 ILE 2 -2.468 14.271 -1.111 25 HD12 ILE 2 1HD1 ILE 2 -1.144 15.080 -0.272 26 HD13 ILE 2 2HD1 ILE 2 -2.816 15.442 0.161 27 H CYS 3 H CYS 3 -1.621 8.968 1.258 28 HA CYS 3 HA CYS 3 -0.419 8.167 -1.329 29 HB2 CYS 3 2HB CYS 3 -0.139 6.644 1.285 30 HB3 CYS 3 1HB CYS 3 0.351 6.022 -0.289 31 H TYR 4 H TYR 4 -1.297 5.813 -1.881 32 HA TYR 4 HA TYR 4 -4.195 6.052 -1.721 33 HB2 TYR 4 2HB TYR 4 -2.267 4.278 -3.121 34 HB3 TYR 4 1HB TYR 4 -3.837 3.576 -2.760 35 HD1 TYR 4 2HD TYR 4 -2.301 6.684 -4.194 36 HD2 TYR 4 1HD TYR 4 -5.642 3.988 -4.183 37 HE1 TYR 4 2HE TYR 4 -3.296 7.900 -6.114 38 HE2 TYR 4 1HE TYR 4 -6.629 5.202 -6.099 39 HH TYR 4 HH TYR 4 -6.317 6.794 -7.625 40 H ASN 5 H ASN 5 -5.590 4.738 -0.550 41 HA ASN 5 HA ASN 5 -4.325 3.059 1.553 42 HB2 ASN 5 2HB ASN 5 -5.420 4.825 2.674 43 HB3 ASN 5 1HB ASN 5 -6.785 4.800 1.559 44 HD21 ASN 5 1HD2 ASN 5 -5.368 1.858 2.953 45 HD22 ASN 5 2HD2 ASN 5 -6.722 1.443 3.885 46 H HIS 6 H HIS 6 -6.736 3.266 -0.971 47 HA HIS 6 HA HIS 6 -8.341 1.071 -0.363 48 HB2 HIS 6 2HB HIS 6 -9.241 1.526 -2.369 49 HB3 HIS 6 1HB HIS 6 -8.000 2.755 -2.560 50 HD1 HIS 6 1HD HIS 6 -6.010 2.205 -4.130 51 HD2 HIS 6 2HD HIS 6 -8.783 -0.884 -3.828 52 HE1 HIS 6 1HE HIS 6 -5.487 0.588 -6.002 53 H LEU 7 H LEU 7 -8.007 -1.001 -0.105 54 HA LEU 7 HA LEU 7 -5.429 -2.193 -1.018 55 HB2 LEU 7 2HB LEU 7 -5.960 -3.954 0.682 56 HB3 LEU 7 1HB LEU 7 -5.863 -2.346 1.397 57 HG LEU 7 HG LEU 7 -8.538 -2.702 0.510 58 HD11 LEU 7 1HD1 LEU 7 -7.310 -5.191 1.241 59 HD12 LEU 7 2HD1 LEU 7 -8.989 -4.883 0.801 60 HD13 LEU 7 3HD1 LEU 7 -8.481 -4.748 2.483 61 HD21 LEU 7 3HD2 LEU 7 -7.477 -1.420 2.497 62 HD22 LEU 7 1HD2 LEU 7 -7.575 -2.955 3.360 63 HD23 LEU 7 2HD2 LEU 7 -9.044 -2.184 2.762 64 H GLY 8 H GLY 8 -5.656 -4.528 -1.742 65 HA2 GLY 8 2HA GLY 8 -6.603 -5.450 -3.888 66 HA3 GLY 8 1HA GLY 8 -7.264 -6.300 -2.504 67 H THR 9 H THR 9 -9.275 -5.249 -1.544 68 HA THR 9 HA THR 9 -11.389 -5.307 -3.334 69 HB THR 9 HB THR 9 -11.816 -3.259 -1.292 70 HG1 THR 9 1HG THR 9 -10.885 -4.186 0.331 71 HG21 THR 9 3HG2 THR 9 -12.914 -6.053 -1.266 72 HG22 THR 9 1HG2 THR 9 -13.416 -4.930 -2.530 73 HG23 THR 9 2HG2 THR 9 -13.712 -4.540 -0.835 74 H LYS 10 H LYS 10 -12.094 -3.980 -4.883 75 HA LYS 10 HA LYS 10 -10.589 -1.601 -5.546 76 HB2 LYS 10 2HB LYS 10 -11.450 -3.220 -7.230 77 HB3 LYS 10 1HB LYS 10 -13.079 -2.646 -6.879 78 HG2 LYS 10 2HG LYS 10 -11.122 -0.506 -7.428 79 HG3 LYS 10 1HG LYS 10 -11.449 -1.568 -8.797 80 HD2 LYS 10 2HD LYS 10 -13.597 -0.214 -7.140 81 HD3 LYS 10 1HD LYS 10 -13.003 0.391 -8.687 82 HE2 LYS 10 2HE LYS 10 -13.554 -2.208 -9.325 83 HE3 LYS 10 1HE LYS 10 -14.802 -1.882 -8.123 84 HZ1 LYS 10 3HZ LYS 10 -14.238 -0.098 -10.423 85 HZ2 LYS 10 1HZ LYS 10 -15.556 -0.020 -9.357 86 HZ3 LYS 10 2HZ LYS 10 -15.423 -1.314 -10.450 87 HA PRO 11 HA PRO 11 -14.726 0.478 -4.356 88 HB2 PRO 11 2HB PRO 11 -15.718 -0.305 -1.919 89 HB3 PRO 11 1HB PRO 11 -16.262 -0.921 -3.489 90 HG2 PRO 11 2HG PRO 11 -14.548 -2.242 -1.452 91 HG3 PRO 11 1HG PRO 11 -15.558 -2.969 -2.712 92 HD2 PRO 11 2HD PRO 11 -12.753 -2.651 -2.786 93 HD3 PRO 11 1HD PRO 11 -13.765 -3.138 -4.146 94 HA PRO 12 HA PRO 12 -12.673 2.185 -0.366 95 HB2 PRO 12 2HB PRO 12 -10.029 1.514 -0.082 96 HB3 PRO 12 1HB PRO 12 -11.356 0.658 0.715 97 HG2 PRO 12 2HG PRO 12 -9.731 -0.190 -1.640 98 HG3 PRO 12 1HG PRO 12 -10.568 -1.184 -0.438 99 HD2 PRO 12 2HD PRO 12 -11.488 -0.644 -3.034 100 HD3 PRO 12 1HD PRO 12 -12.476 -1.288 -1.721 101 H THR 13 H THR 13 -10.579 3.803 -0.205 102 HA THR 13 HA THR 13 -9.849 4.671 -2.968 103 HB THR 13 HB THR 13 -11.953 5.835 -2.163 104 HG1 THR 13 1HG THR 13 -11.036 7.065 -3.616 105 HG21 THR 13 3HG2 THR 13 -11.744 7.471 -0.398 106 HG22 THR 13 1HG2 THR 13 -10.010 7.178 -0.269 107 HG23 THR 13 2HG2 THR 13 -11.153 5.930 0.225 108 H THR 14 H THR 14 -8.816 7.188 -2.139 109 HA THR 14 HA THR 14 -6.329 6.298 -0.821 110 HB THR 14 HB THR 14 -5.518 8.597 -1.544 111 HG1 THR 14 1HG THR 14 -7.905 9.168 -1.833 112 HG21 THR 14 3HG2 THR 14 -5.648 6.209 -2.844 113 HG22 THR 14 1HG2 THR 14 -4.777 7.623 -3.433 114 HG23 THR 14 2HG2 THR 14 -6.407 7.283 -4.017 115 H GLU 15 H GLU 15 -5.292 7.822 0.676 116 HA GLU 15 HA GLU 15 -7.024 9.665 2.171 117 HB2 GLU 15 2HB GLU 15 -6.744 8.532 4.319 118 HB3 GLU 15 1HB GLU 15 -7.513 7.423 3.183 119 HG2 GLU 15 2HG GLU 15 -5.854 6.047 4.032 120 HG3 GLU 15 1HG GLU 15 -5.003 6.751 2.658 121 H THR 16 H THR 16 -5.643 10.788 3.898 122 HA THR 16 HA THR 16 -2.919 11.101 2.785 123 HB THR 16 HB THR 16 -3.961 12.695 5.109 124 HG1 THR 16 1HG THR 16 -4.659 14.081 3.145 125 HG21 THR 16 3HG2 THR 16 -1.961 13.655 4.666 126 HG22 THR 16 1HG2 THR 16 -2.743 14.341 3.241 127 HG23 THR 16 2HG2 THR 16 -1.829 12.838 3.108 128 H CYS 17 H CYS 17 -1.034 10.852 4.075 129 HA CYS 17 HA CYS 17 -1.417 9.577 6.736 130 HB2 CYS 17 2HB CYS 17 -1.066 7.995 4.618 131 HB3 CYS 17 1HB CYS 17 0.621 8.414 4.908 132 H GLN 18 H GLN 18 1.050 9.097 7.547 133 HA GLN 18 HA GLN 18 2.337 11.757 7.459 134 HB2 GLN 18 2HB GLN 18 1.970 10.843 9.660 135 HB3 GLN 18 1HB GLN 18 2.772 9.347 9.225 136 HG2 GLN 18 2HG GLN 18 4.120 11.184 10.542 137 HG3 GLN 18 1HG GLN 18 4.895 10.310 9.229 138 HE21 GLN 18 1HE2 GLN 18 2.521 13.013 9.007 139 HE22 GLN 18 2HE2 GLN 18 3.551 14.041 8.130 140 H GLU 19 H GLU 19 3.173 8.355 6.965 141 HA GLU 19 HA GLU 19 5.930 8.872 6.389 142 HB2 GLU 19 2HB GLU 19 4.840 6.619 4.870 143 HB3 GLU 19 1HB GLU 19 6.150 6.655 6.040 144 HG2 GLU 19 2HG GLU 19 3.185 6.525 6.653 145 HG3 GLU 19 1HG GLU 19 4.393 5.277 6.961 146 H ASP 20 H ASP 20 6.786 9.870 4.721 147 HA ASP 20 HA ASP 20 5.223 10.895 2.552 148 HB2 ASP 20 2HB ASP 20 7.938 10.748 1.680 149 HB3 ASP 20 1HB ASP 20 7.048 12.169 2.212 150 H SER 21 H SER 21 6.660 7.859 3.135 151 HA SER 21 HA SER 21 6.826 7.133 0.313 152 HB2 SER 21 2HB SER 21 6.842 4.796 1.884 153 HB3 SER 21 1HB SER 21 8.241 5.609 1.198 154 HG SER 21 HG SER 21 8.549 5.555 3.383 155 H CYS 22 H CYS 22 5.554 5.066 -0.344 156 HA CYS 22 HA CYS 22 2.887 4.964 0.974 157 HB2 CYS 22 2HB CYS 22 3.221 4.965 -2.038 158 HB3 CYS 22 1HB CYS 22 1.722 5.065 -1.119 159 H TYR 23 H TYR 23 2.669 2.816 1.555 160 HA TYR 23 HA TYR 23 4.275 0.880 -0.006 161 HB2 TYR 23 2HB TYR 23 4.118 -0.641 1.804 162 HB3 TYR 23 1HB TYR 23 4.401 0.925 2.542 163 HD1 TYR 23 1HD TYR 23 1.593 -1.309 1.478 164 HD2 TYR 23 2HD TYR 23 2.981 1.626 4.277 165 HE1 TYR 23 1HE TYR 23 -0.469 -1.620 2.805 166 HE2 TYR 23 2HE TYR 23 0.909 1.330 5.606 167 HH TYR 23 HH TYR 23 -1.048 0.301 5.763 168 H LYS 24 H LYS 24 3.422 -0.628 -1.237 169 HA LYS 24 HA LYS 24 0.546 -1.251 -1.039 170 HB2 LYS 24 2HB LYS 24 0.367 0.390 -2.678 171 HB3 LYS 24 1HB LYS 24 1.915 -0.006 -3.393 172 HG2 LYS 24 2HG LYS 24 0.490 -2.352 -3.723 173 HG3 LYS 24 1HG LYS 24 -0.733 -1.102 -3.961 174 HD2 LYS 24 2HD LYS 24 1.858 -0.527 -5.231 175 HD3 LYS 24 1HD LYS 24 1.011 -1.923 -5.898 176 HE2 LYS 24 2HE LYS 24 -0.958 0.048 -5.518 177 HE3 LYS 24 1HE LYS 24 0.422 0.887 -6.220 178 HZ1 LYS 24 3HZ LYS 24 0.127 -1.556 -7.543 179 HZ2 LYS 24 1HZ LYS 24 -0.083 0.006 -8.171 180 HZ3 LYS 24 2HZ LYS 24 -1.402 -0.819 -7.490 181 H ASN 25 H ASN 25 0.908 -3.301 -0.415 182 HA ASN 25 HA ASN 25 2.646 -4.964 -2.198 183 HB2 ASN 25 2HB ASN 25 2.869 -6.356 0.001 184 HB3 ASN 25 1HB ASN 25 3.819 -4.893 -0.192 185 HD21 ASN 25 1HD2 ASN 25 2.576 -2.814 0.633 186 HD22 ASN 25 2HD2 ASN 25 1.784 -3.009 2.121 187 H ILE 26 H ILE 26 2.150 -7.358 -1.935 188 HA ILE 26 HA ILE 26 -0.747 -7.761 -2.334 189 HB ILE 26 HB ILE 26 -0.127 -9.883 -3.276 190 HG12 ILE 26 2HG1 ILE 26 2.559 -10.262 -3.112 191 HG13 ILE 26 1HG1 ILE 26 2.257 -9.488 -1.557 192 HG21 ILE 26 1HG2 ILE 26 2.229 -8.817 -4.421 193 HG22 ILE 26 2HG2 ILE 26 1.189 -7.438 -4.064 194 HG23 ILE 26 3HG2 ILE 26 0.595 -8.750 -5.083 195 HD11 ILE 26 3HD1 ILE 26 0.310 -11.582 -2.310 196 HD12 ILE 26 1HD1 ILE 26 1.077 -11.265 -0.755 197 HD13 ILE 26 2HD1 ILE 26 1.947 -12.160 -2.002 198 H TRP 27 H TRP 27 1.677 -8.274 0.075 199 HA TRP 27 HA TRP 27 0.428 -10.470 1.468 200 HB2 TRP 27 2HB TRP 27 2.062 -8.323 2.798 201 HB3 TRP 27 1HB TRP 27 1.982 -10.041 3.192 202 HD1 TRP 27 HD TRP 27 3.860 -7.572 1.107 203 HE1 TRP 27 1HE TRP 27 5.617 -8.790 -0.335 204 HE3 TRP 27 3HE TRP 27 2.388 -12.412 1.821 205 HZ2 TRP 27 2HZ TRP 27 6.307 -11.462 -1.086 206 HZ3 TRP 27 3HZ TRP 27 3.613 -14.271 0.730 207 HH2 TRP 27 HH TRP 27 5.567 -13.803 -0.721 208 H THR 28 H THR 28 -1.358 -10.410 2.779 209 HA THR 28 HA THR 28 -2.067 -7.949 4.199 210 HB THR 28 HB THR 28 -2.935 -7.699 1.832 211 HG1 THR 28 1HG THR 28 -3.923 -6.966 4.021 212 HG21 THR 28 3HG2 THR 28 -4.145 -9.353 0.910 213 HG22 THR 28 1HG2 THR 28 -5.292 -9.303 2.248 214 HG23 THR 28 2HG2 THR 28 -3.857 -10.323 2.355 215 H PHE 29 H PHE 29 -4.607 -8.479 4.978 216 HA PHE 29 HA PHE 29 -4.254 -10.911 6.599 217 HB2 PHE 29 2HB PHE 29 -6.210 -8.620 6.595 218 HB3 PHE 29 1HB PHE 29 -6.548 -10.084 7.517 219 HD1 PHE 29 1HD PHE 29 -4.521 -10.965 8.994 220 HD2 PHE 29 2HD PHE 29 -4.978 -6.922 7.618 221 HE1 PHE 29 1HE PHE 29 -3.011 -10.181 10.797 222 HE2 PHE 29 2HE PHE 29 -3.469 -6.136 9.421 223 HZ PHE 29 HZ PHE 29 -2.486 -7.766 11.011 224 H ASP 30 H ASP 30 -7.351 -9.800 5.293 225 HA ASP 30 HA ASP 30 -7.704 -12.528 4.121 226 HB2 ASP 30 2HB ASP 30 -9.761 -10.550 5.155 227 HB3 ASP 30 1HB ASP 30 -10.148 -12.095 4.394 228 H ASN 31 H ASN 31 -6.911 -9.517 3.158 229 HA ASN 31 HA ASN 31 -8.637 -9.572 0.725 230 HB2 ASN 31 2HB ASN 31 -8.227 -7.467 2.294 231 HB3 ASN 31 1HB ASN 31 -6.765 -7.311 1.319 232 HD21 ASN 31 1HD2 ASN 31 -10.212 -8.171 0.613 233 HD22 ASN 31 2HD2 ASN 31 -10.355 -7.104 -0.701 234 H ILE 32 H ILE 32 -6.330 -7.785 -0.457 235 HA ILE 32 HA ILE 32 -4.352 -9.937 -0.934 236 HB ILE 32 HB ILE 32 -5.741 -10.396 -2.755 237 HG12 ILE 32 2HG1 ILE 32 -4.590 -9.435 -4.768 238 HG13 ILE 32 1HG1 ILE 32 -3.717 -8.356 -3.683 239 HG21 ILE 32 1HG2 ILE 32 -7.202 -8.986 -3.758 240 HG22 ILE 32 2HG2 ILE 32 -6.067 -7.640 -3.764 241 HG23 ILE 32 3HG2 ILE 32 -6.948 -8.046 -2.291 242 HD11 ILE 32 3HD1 ILE 32 -2.211 -10.118 -3.834 243 HD12 ILE 32 1HD1 ILE 32 -3.486 -11.327 -3.980 244 HD13 ILE 32 2HD1 ILE 32 -3.139 -10.597 -2.412 245 H ILE 33 H ILE 33 -4.948 -6.824 -2.601 246 HA ILE 33 HA ILE 33 -2.131 -6.100 -2.076 247 HB ILE 33 HB ILE 33 -4.085 -4.358 -3.553 248 HG12 ILE 33 2HG1 ILE 33 -4.338 -6.745 -4.327 249 HG13 ILE 33 1HG1 ILE 33 -3.785 -5.630 -5.573 250 HG21 ILE 33 1HG2 ILE 33 -2.046 -3.896 -4.895 251 HG22 ILE 33 2HG2 ILE 33 -1.143 -4.999 -3.856 252 HG23 ILE 33 3HG2 ILE 33 -1.830 -3.520 -3.186 253 HD11 ILE 33 3HD1 ILE 33 -2.517 -7.852 -5.400 254 HD12 ILE 33 1HD1 ILE 33 -1.856 -7.232 -3.887 255 HD13 ILE 33 2HD1 ILE 33 -1.535 -6.388 -5.402 256 H ARG 34 H ARG 34 -1.573 -4.042 -1.038 257 HA ARG 34 HA ARG 34 -3.852 -2.622 0.209 258 HB2 ARG 34 2HB ARG 34 -3.061 -4.410 1.819 259 HB3 ARG 34 1HB ARG 34 -1.564 -3.480 1.956 260 HG2 ARG 34 2HG ARG 34 -2.758 -1.535 2.726 261 HG3 ARG 34 1HG ARG 34 -4.304 -2.275 2.368 262 HD2 ARG 34 2HD ARG 34 -4.035 -2.520 4.710 263 HD3 ARG 34 1HD ARG 34 -3.656 -4.103 4.032 264 HE ARG 34 HE ARG 34 -1.195 -2.866 4.140 265 HH11 ARG 34 1HH2 ARG 34 -3.545 -4.159 6.238 266 HH12 ARG 34 2HH2 ARG 34 -2.629 -3.883 7.682 267 HH21 ARG 34 1HH1 ARG 34 -0.092 -2.164 6.062 268 HH22 ARG 34 2HH1 ARG 34 -0.676 -2.754 7.583 269 H ARG 35 H ARG 35 -3.499 -0.662 -0.550 270 HA ARG 35 HA ARG 35 -0.779 0.446 -0.772 271 HB2 ARG 35 2HB ARG 35 -3.429 1.786 -1.367 272 HB3 ARG 35 1HB ARG 35 -1.838 2.313 -1.897 273 HG2 ARG 35 2HG ARG 35 -1.661 0.662 -3.494 274 HG3 ARG 35 1HG ARG 35 -2.638 -0.477 -2.573 275 HD2 ARG 35 2HD ARG 35 -4.525 0.155 -3.627 276 HD3 ARG 35 1HD ARG 35 -4.176 1.864 -3.374 277 HE ARG 35 HE ARG 35 -3.201 1.943 -5.534 278 HH11 ARG 35 1HH1 ARG 35 -2.572 -1.178 -4.431 279 HH12 ARG 35 2HH1 ARG 35 -2.728 -1.937 -5.977 280 HH21 ARG 35 1HH2 ARG 35 -3.910 0.903 -7.562 281 HH22 ARG 35 2HH2 ARG 35 -3.482 -0.764 -7.744 282 H GLY 36 H GLY 36 0.114 1.625 0.824 283 HA2 GLY 36 2HA GLY 36 -1.646 3.038 2.758 284 HA3 GLY 36 1HA GLY 36 -0.424 1.932 3.368 285 H CYS 37 H CYS 37 0.664 3.667 4.420 286 HA CYS 37 HA CYS 37 2.096 5.516 2.549 287 HB2 CYS 37 2HB CYS 37 2.260 7.033 4.569 288 HB3 CYS 37 1HB CYS 37 0.634 6.817 3.921 289 H GLY 38 H GLY 38 4.120 4.605 2.334 290 HA2 GLY 38 2HA GLY 38 6.318 4.688 3.632 291 HA3 GLY 38 1HA GLY 38 5.476 3.717 4.836 292 H CYS 39 H CYS 39 6.951 1.993 4.501 293 HA CYS 39 HA CYS 39 6.654 0.629 1.870 294 HB2 CYS 39 2HB CYS 39 8.789 0.309 3.999 295 HB3 CYS 39 1HB CYS 39 8.658 -0.714 2.572 296 H PHE 40 H PHE 40 7.003 -1.882 2.309 297 HA PHE 40 HA PHE 40 4.628 -2.700 3.782 298 HB2 PHE 40 2HB PHE 40 5.999 -5.046 3.214 299 HB3 PHE 40 1HB PHE 40 4.802 -4.290 2.165 300 HD1 PHE 40 2HD PHE 40 5.474 -2.873 0.303 301 HD2 PHE 40 1HD PHE 40 8.372 -4.849 2.773 302 HE1 PHE 40 2HE PHE 40 7.232 -2.344 -1.359 303 HE2 PHE 40 1HE PHE 40 10.143 -4.313 1.122 304 HZ PHE 40 HZ PHE 40 9.582 -3.061 -0.952 305 H THR 41 H THR 41 5.132 -4.907 5.161 306 HA THR 41 HA THR 41 6.776 -3.876 7.377 307 HB THR 41 HB THR 41 5.156 -6.409 7.478 308 HG1 THR 41 1HG THR 41 4.359 -3.709 7.690 309 HG21 THR 41 3HG2 THR 41 5.697 -4.371 9.628 310 HG22 THR 41 1HG2 THR 41 6.836 -5.671 9.279 311 HG23 THR 41 2HG2 THR 41 5.200 -6.053 9.812 312 HA PRO 42 HA PRO 42 9.014 -7.964 6.718 313 HB2 PRO 42 2HB PRO 42 8.254 -9.598 4.641 314 HB3 PRO 42 1HB PRO 42 7.523 -9.663 6.253 315 HG2 PRO 42 2HG PRO 42 6.352 -8.664 3.734 316 HG3 PRO 42 1HG PRO 42 5.540 -9.107 5.243 317 HD2 PRO 42 2HD PRO 42 6.217 -6.468 4.285 318 HD3 PRO 42 1HD PRO 42 5.341 -6.881 5.772 319 H ARG 43 H ARG 43 9.658 -5.537 5.470 320 HA ARG 43 HA ARG 43 10.336 -5.602 2.739 321 HB2 ARG 43 2HB ARG 43 12.366 -4.153 3.551 322 HB3 ARG 43 1HB ARG 43 10.731 -3.536 3.752 323 HG2 ARG 43 2HG ARG 43 11.461 -5.204 6.001 324 HG3 ARG 43 1HG ARG 43 12.648 -3.920 5.774 325 HD2 ARG 43 2HD ARG 43 10.750 -2.277 5.658 326 HD3 ARG 43 1HD ARG 43 9.651 -3.590 6.078 327 HE ARG 43 HE ARG 43 11.547 -3.682 8.084 328 HH11 ARG 43 1HH2 ARG 43 8.671 -2.166 7.500 329 HH12 ARG 43 2HH2 ARG 43 8.908 -0.850 8.600 330 HH21 ARG 43 1HH1 ARG 43 12.249 -1.580 9.170 331 HH22 ARG 43 2HH1 ARG 43 10.933 -0.518 9.546 332 H GLY 44 H GLY 44 12.201 -6.295 1.616 333 HA2 GLY 44 2HA GLY 44 14.593 -7.259 2.486 334 HA3 GLY 44 1HA GLY 44 13.508 -8.611 2.791 335 H ASP 45 H ASP 45 15.266 -9.387 1.060 336 HA ASP 45 HA ASP 45 14.442 -8.653 -1.685 337 HB2 ASP 45 2HB ASP 45 16.354 -10.100 -2.366 338 HB3 ASP 45 1HB ASP 45 16.840 -8.815 -1.258 339 H MET 46 H MET 46 13.175 -10.656 0.537 340 HA MET 46 HA MET 46 12.933 -13.043 -1.156 341 HB2 MET 46 2HB MET 46 12.592 -12.476 1.618 342 HB3 MET 46 1HB MET 46 11.069 -13.116 0.999 343 HG2 MET 46 2HG MET 46 12.441 -14.985 1.707 344 HG3 MET 46 1HG MET 46 12.363 -14.995 -0.055 345 HE1 MET 46 3HE MET 46 15.885 -16.180 1.470 346 HE2 MET 46 1HE MET 46 14.802 -16.659 0.156 347 HE3 MET 46 2HE MET 46 14.176 -16.463 1.790 348 HA PRO 47 HA PRO 47 8.462 -11.494 -1.485 349 HB2 PRO 47 2HB PRO 47 7.764 -9.206 -0.137 350 HB3 PRO 47 1HB PRO 47 7.694 -10.819 0.586 351 HG2 PRO 47 2HG PRO 47 9.642 -8.630 1.089 352 HG3 PRO 47 1HG PRO 47 9.189 -9.990 2.130 353 HD2 PRO 47 2HD PRO 47 11.537 -9.774 0.522 354 HD3 PRO 47 1HD PRO 47 10.993 -11.202 1.418 355 H GLY 48 H GLY 48 7.390 -9.789 -2.859 356 HA2 GLY 48 2HA GLY 48 9.275 -7.717 -3.820 357 HA3 GLY 48 1HA GLY 48 8.477 -8.769 -4.981 358 HA PRO 49 HA PRO 49 4.911 -6.215 -3.152 359 HB2 PRO 49 2HB PRO 49 5.438 -4.643 -0.966 360 HB3 PRO 49 1HB PRO 49 4.894 -6.324 -0.864 361 HG2 PRO 49 2HG PRO 49 7.589 -5.199 -0.343 362 HG3 PRO 49 1HG PRO 49 6.869 -6.690 0.261 363 HD2 PRO 49 2HD PRO 49 8.761 -6.476 -1.843 364 HD3 PRO 49 1HD PRO 49 7.824 -7.907 -1.396 365 H TYR 50 H TYR 50 4.587 -3.534 -2.499 366 HA TYR 50 HA TYR 50 6.558 -2.151 -4.270 367 HB2 TYR 50 2HB TYR 50 3.810 -2.658 -4.795 368 HB3 TYR 50 1HB TYR 50 3.993 -0.923 -4.533 369 HD1 TYR 50 1HD TYR 50 5.932 -3.689 -6.182 370 HD2 TYR 50 2HD TYR 50 4.453 0.336 -6.431 371 HE1 TYR 50 1HE TYR 50 6.947 -3.457 -8.434 372 HE2 TYR 50 2HE TYR 50 5.468 0.570 -8.682 373 HH TYR 50 HH TYR 50 7.362 -0.491 -9.961 374 H CYS 51 H CYS 51 7.588 -0.703 -3.007 375 HA CYS 51 HA CYS 51 5.954 1.058 -1.173 376 HB2 CYS 51 2HB CYS 51 7.654 -0.288 0.073 377 HB3 CYS 51 1HB CYS 51 8.911 0.342 -0.986 378 H CYS 52 H CYS 52 6.772 3.323 -1.203 379 HA CYS 52 HA CYS 52 8.638 4.098 -3.319 380 HB2 CYS 52 2HB CYS 52 6.716 3.677 -4.720 381 HB3 CYS 52 1HB CYS 52 5.677 4.610 -3.654 382 H GLU 53 H GLU 53 8.869 6.469 -3.408 383 HA GLU 53 HA GLU 53 7.955 7.727 -0.871 384 HB2 GLU 53 2HB GLU 53 10.532 8.400 -2.273 385 HB3 GLU 53 1HB GLU 53 10.013 8.862 -0.647 386 HG2 GLU 53 2HG GLU 53 10.157 6.610 0.146 387 HG3 GLU 53 1HG GLU 53 10.366 5.980 -1.489 388 H SER 54 H SER 54 6.213 8.066 -2.719 389 HA SER 54 HA SER 54 6.542 10.893 -3.542 390 HB2 SER 54 2HB SER 54 5.237 9.107 -5.528 391 HB3 SER 54 1HB SER 54 6.208 10.551 -5.793 392 HG SER 54 HG SER 54 7.996 9.150 -4.968 393 H ASP 55 H ASP 55 4.335 11.842 -4.033 394 HA ASP 55 HA ASP 55 2.443 10.882 -2.081 395 HB2 ASP 55 2HB ASP 55 2.410 13.209 -2.562 396 HB3 ASP 55 1HB ASP 55 2.178 12.935 -4.286 397 H LYS 56 H LYS 56 0.511 9.864 -2.383 398 HA LYS 56 HA LYS 56 -0.714 8.039 -3.308 399 HB2 LYS 56 2HB LYS 56 -1.923 8.720 -5.302 400 HB3 LYS 56 1HB LYS 56 -1.751 10.122 -4.251 401 HG2 LYS 56 2HG LYS 56 0.127 10.935 -5.570 402 HG3 LYS 56 1HG LYS 56 0.098 9.484 -6.567 403 HD2 LYS 56 2HD LYS 56 -1.777 10.139 -7.727 404 HD3 LYS 56 1HD LYS 56 -2.438 11.036 -6.360 405 HE2 LYS 56 2HE LYS 56 -0.207 12.498 -6.841 406 HE3 LYS 56 1HE LYS 56 -0.556 11.926 -8.473 407 HZ1 LYS 56 3HZ LYS 56 -2.805 12.919 -6.907 408 HZ2 LYS 56 1HZ LYS 56 -2.486 13.072 -8.566 409 HZ3 LYS 56 2HZ LYS 56 -1.686 14.075 -7.453 410 H CYS 57 H CYS 57 2.100 7.641 -3.583 411 HA CYS 57 HA CYS 57 2.783 6.964 -6.312 412 HB2 CYS 57 2HB CYS 57 4.242 7.429 -4.117 413 HB3 CYS 57 1HB CYS 57 4.206 5.668 -4.046 414 H ASN 58 H ASN 58 0.961 5.204 -3.918 415 HA ASN 58 HA ASN 58 1.691 2.627 -5.079 416 HB2 ASN 58 2HB ASN 58 -0.396 1.992 -3.494 417 HB3 ASN 58 1HB ASN 58 1.256 2.134 -2.907 418 HD21 ASN 58 1HD2 ASN 58 0.202 2.685 -0.792 419 HD22 ASN 58 2HD2 ASN 58 -0.328 4.277 -0.519 420 H LEU 59 H LEU 59 0.288 4.667 -6.767 421 HA LEU 59 HA LEU 59 -2.030 2.929 -7.492 422 HB2 LEU 59 2HB LEU 59 -2.543 5.274 -6.513 423 HB3 LEU 59 1HB LEU 59 -1.977 5.890 -8.063 424 HG LEU 59 HG LEU 59 -4.378 5.604 -8.202 425 HD11 LEU 59 1HD1 LEU 59 -3.267 3.168 -9.581 426 HD12 LEU 59 2HD1 LEU 59 -2.819 4.792 -10.101 427 HD13 LEU 59 3HD1 LEU 59 -4.507 4.286 -10.149 428 HD21 LEU 59 3HD2 LEU 59 -5.528 3.847 -7.301 429 HD22 LEU 59 1HD2 LEU 59 -4.061 3.636 -6.344 430 HD23 LEU 59 2HD2 LEU 59 -4.313 2.673 -7.799 Start of MODEL 12 1 H1 ARG 1 1HT ARG 1 4.041 11.973 3.262 2 H2 ARG 1 2HT ARG 1 3.301 10.691 2.426 3 H3 ARG 1 3HT ARG 1 2.556 11.355 3.801 4 HA ARG 1 HA ARG 1 2.224 13.447 2.667 5 HB2 ARG 1 2HB ARG 1 2.906 13.779 0.414 6 HB3 ARG 1 1HB ARG 1 4.295 13.040 1.206 7 HG2 ARG 1 2HG ARG 1 2.581 10.954 0.219 8 HG3 ARG 1 1HG ARG 1 2.895 12.090 -1.082 9 HD2 ARG 1 2HD ARG 1 5.048 10.923 0.657 10 HD3 ARG 1 1HD ARG 1 4.576 10.221 -0.873 11 HE ARG 1 HE ARG 1 5.987 11.806 -1.836 12 HH11 ARG 1 1HH1 ARG 1 4.068 14.072 -1.154 13 HH12 ARG 1 2HH1 ARG 1 5.121 15.148 -0.301 14 HH21 ARG 1 1HH2 ARG 1 7.585 12.770 0.207 15 HH22 ARG 1 2HH2 ARG 1 7.105 14.413 0.470 16 H ILE 2 H ILE 2 1.195 12.767 -0.164 17 HA ILE 2 HA ILE 2 -1.298 11.518 0.805 18 HB ILE 2 HB ILE 2 -0.511 12.708 -1.866 19 HG12 ILE 2 2HG1 ILE 2 -2.611 14.124 -0.970 20 HG13 ILE 2 1HG1 ILE 2 -1.970 13.554 0.571 21 HG21 ILE 2 1HG2 ILE 2 -3.204 11.605 -0.992 22 HG22 ILE 2 2HG2 ILE 2 -2.106 10.783 -2.102 23 HG23 ILE 2 3HG2 ILE 2 -2.825 12.328 -2.556 24 HD11 ILE 2 3HD1 ILE 2 -0.325 15.086 0.487 25 HD12 ILE 2 1HD1 ILE 2 -0.994 15.699 -1.025 26 HD13 ILE 2 2HD1 ILE 2 0.222 14.424 -1.054 27 H CYS 3 H CYS 3 -1.418 9.324 0.807 28 HA CYS 3 HA CYS 3 -0.205 7.980 -1.547 29 HB2 CYS 3 2HB CYS 3 -0.339 6.844 1.259 30 HB3 CYS 3 1HB CYS 3 0.339 6.038 -0.148 31 H TYR 4 H TYR 4 -1.281 5.863 -2.074 32 HA TYR 4 HA TYR 4 -4.169 6.261 -1.933 33 HB2 TYR 4 2HB TYR 4 -2.340 4.462 -3.443 34 HB3 TYR 4 1HB TYR 4 -4.002 3.920 -3.205 35 HD1 TYR 4 2HD TYR 4 -2.235 7.137 -3.966 36 HD2 TYR 4 1HD TYR 4 -5.498 4.507 -4.891 37 HE1 TYR 4 2HE TYR 4 -2.998 8.707 -5.722 38 HE2 TYR 4 1HE TYR 4 -6.264 6.078 -6.650 39 HH TYR 4 HH TYR 4 -4.625 9.195 -7.167 40 H ASN 5 H ASN 5 -5.638 5.000 -0.871 41 HA ASN 5 HA ASN 5 -4.539 3.057 1.110 42 HB2 ASN 5 2HB ASN 5 -5.546 4.761 2.375 43 HB3 ASN 5 1HB ASN 5 -6.828 5.010 1.192 44 HD21 ASN 5 1HD2 ASN 5 -5.665 2.027 2.859 45 HD22 ASN 5 2HD2 ASN 5 -7.193 1.594 3.454 46 H HIS 6 H HIS 6 -6.100 3.199 -1.797 47 HA HIS 6 HA HIS 6 -8.343 1.548 -1.622 48 HB2 HIS 6 2HB HIS 6 -7.947 2.406 -3.736 49 HB3 HIS 6 1HB HIS 6 -6.256 1.952 -3.732 50 HD1 HIS 6 1HD HIS 6 -9.680 0.266 -3.782 51 HD2 HIS 6 2HD HIS 6 -5.786 -0.427 -5.092 52 HE1 HIS 6 1HE HIS 6 -9.749 -1.868 -5.143 53 H LEU 7 H LEU 7 -8.689 -0.609 -1.505 54 HA LEU 7 HA LEU 7 -6.333 -2.299 -0.778 55 HB2 LEU 7 2HB LEU 7 -8.474 -3.807 -0.031 56 HB3 LEU 7 1HB LEU 7 -7.652 -2.676 1.041 57 HG LEU 7 HG LEU 7 -9.907 -1.770 -0.740 58 HD11 LEU 7 1HD1 LEU 7 -10.783 -3.635 0.586 59 HD12 LEU 7 2HD1 LEU 7 -11.410 -2.110 1.214 60 HD13 LEU 7 3HD1 LEU 7 -10.097 -2.936 2.053 61 HD21 LEU 7 3HD2 LEU 7 -9.618 0.192 0.344 62 HD22 LEU 7 1HD2 LEU 7 -8.111 -0.482 0.966 63 HD23 LEU 7 2HD2 LEU 7 -9.592 -0.605 1.917 64 H GLY 8 H GLY 8 -6.042 -4.288 -1.752 65 HA2 GLY 8 2HA GLY 8 -5.961 -5.146 -4.112 66 HA3 GLY 8 1HA GLY 8 -7.013 -6.154 -3.129 67 H THR 9 H THR 9 -9.244 -6.145 -3.546 68 HA THR 9 HA THR 9 -10.073 -4.563 -5.950 69 HB THR 9 HB THR 9 -11.648 -6.399 -6.440 70 HG1 THR 9 1HG THR 9 -10.698 -7.239 -3.966 71 HG21 THR 9 3HG2 THR 9 -9.241 -6.411 -7.255 72 HG22 THR 9 1HG2 THR 9 -10.025 -7.991 -7.204 73 HG23 THR 9 2HG2 THR 9 -8.886 -7.529 -5.938 74 H LYS 10 H LYS 10 -10.342 -3.226 -3.630 75 HA LYS 10 HA LYS 10 -13.249 -3.493 -2.940 76 HB2 LYS 10 2HB LYS 10 -10.969 -3.495 -1.268 77 HB3 LYS 10 1HB LYS 10 -11.720 -1.917 -1.050 78 HG2 LYS 10 2HG LYS 10 -12.938 -3.151 0.491 79 HG3 LYS 10 1HG LYS 10 -13.943 -3.383 -0.939 80 HD2 LYS 10 2HD LYS 10 -12.519 -5.467 -1.407 81 HD3 LYS 10 1HD LYS 10 -11.918 -5.289 0.242 82 HE2 LYS 10 2HE LYS 10 -14.877 -5.316 -0.342 83 HE3 LYS 10 1HE LYS 10 -13.978 -6.816 -0.123 84 HZ1 LYS 10 3HZ LYS 10 -14.664 -6.343 2.005 85 HZ2 LYS 10 1HZ LYS 10 -14.499 -4.665 1.815 86 HZ3 LYS 10 2HZ LYS 10 -13.118 -5.638 1.995 87 HA PRO 11 HA PRO 11 -13.732 0.717 -4.179 88 HB2 PRO 11 2HB PRO 11 -14.500 2.207 -1.986 89 HB3 PRO 11 1HB PRO 11 -15.580 1.113 -2.868 90 HG2 PRO 11 2HG PRO 11 -14.265 0.724 -0.218 91 HG3 PRO 11 1HG PRO 11 -15.779 0.039 -0.834 92 HD2 PRO 11 2HD PRO 11 -13.338 -1.316 -0.662 93 HD3 PRO 11 1HD PRO 11 -14.722 -1.837 -1.639 94 HA PRO 12 HA PRO 12 -9.590 2.047 -3.179 95 HB2 PRO 12 2HB PRO 12 -9.233 3.496 -5.491 96 HB3 PRO 12 1HB PRO 12 -9.035 1.741 -5.381 97 HG2 PRO 12 2HG PRO 12 -11.281 3.303 -6.564 98 HG3 PRO 12 1HG PRO 12 -10.699 1.682 -6.982 99 HD2 PRO 12 2HD PRO 12 -12.980 2.249 -5.430 100 HD3 PRO 12 1HD PRO 12 -12.161 0.675 -5.525 101 H THR 13 H THR 13 -9.015 3.726 -1.939 102 HA THR 13 HA THR 13 -10.046 6.440 -2.561 103 HB THR 13 HB THR 13 -11.462 6.488 -0.808 104 HG1 THR 13 1HG THR 13 -10.564 6.750 1.159 105 HG21 THR 13 3HG2 THR 13 -11.588 3.998 -1.051 106 HG22 THR 13 1HG2 THR 13 -11.871 4.553 0.599 107 HG23 THR 13 2HG2 THR 13 -10.311 3.857 0.159 108 H THR 14 H THR 14 -8.428 7.980 -2.200 109 HA THR 14 HA THR 14 -5.793 6.952 -1.594 110 HB THR 14 HB THR 14 -5.121 9.395 -1.647 111 HG1 THR 14 1HG THR 14 -6.905 10.676 -2.624 112 HG21 THR 14 3HG2 THR 14 -6.544 9.213 -4.149 113 HG22 THR 14 1HG2 THR 14 -5.900 7.633 -3.699 114 HG23 THR 14 2HG2 THR 14 -4.819 9.020 -3.833 115 H GLU 15 H GLU 15 -4.454 8.366 0.080 116 HA GLU 15 HA GLU 15 -6.014 8.995 2.499 117 HB2 GLU 15 2HB GLU 15 -4.524 6.470 2.145 118 HB3 GLU 15 1HB GLU 15 -4.155 7.338 3.635 119 HG2 GLU 15 2HG GLU 15 -6.907 6.513 2.669 120 HG3 GLU 15 1HG GLU 15 -6.028 5.829 4.036 121 H THR 16 H THR 16 -4.844 10.307 3.936 122 HA THR 16 HA THR 16 -2.165 11.154 2.918 123 HB THR 16 HB THR 16 -3.166 13.041 4.792 124 HG1 THR 16 1HG THR 16 -5.054 12.198 2.853 125 HG21 THR 16 3HG2 THR 16 -3.346 13.383 1.815 126 HG22 THR 16 1HG2 THR 16 -1.771 13.210 2.589 127 HG23 THR 16 2HG2 THR 16 -2.833 14.546 3.037 128 H CYS 17 H CYS 17 -0.465 10.700 4.234 129 HA CYS 17 HA CYS 17 -0.995 10.354 7.150 130 HB2 CYS 17 2HB CYS 17 0.899 8.533 5.671 131 HB3 CYS 17 1HB CYS 17 0.170 8.305 7.261 132 H GLN 18 H GLN 18 1.594 9.755 7.940 133 HA GLN 18 HA GLN 18 2.919 12.342 7.382 134 HB2 GLN 18 2HB GLN 18 2.663 11.576 9.726 135 HB3 GLN 18 1HB GLN 18 3.673 10.184 9.360 136 HG2 GLN 18 2HG GLN 18 4.955 12.110 10.359 137 HG3 GLN 18 1HG GLN 18 5.544 11.594 8.783 138 HE21 GLN 18 1HE2 GLN 18 4.916 12.931 6.878 139 HE22 GLN 18 2HE2 GLN 18 4.484 14.559 7.085 140 H GLU 19 H GLU 19 3.564 8.877 7.187 141 HA GLU 19 HA GLU 19 6.292 9.189 6.359 142 HB2 GLU 19 2HB GLU 19 5.127 6.878 5.076 143 HB3 GLU 19 1HB GLU 19 6.346 6.939 6.339 144 HG2 GLU 19 2HG GLU 19 3.349 7.103 6.789 145 HG3 GLU 19 1HG GLU 19 4.352 5.684 7.082 146 H ASP 20 H ASP 20 7.017 10.031 4.502 147 HA ASP 20 HA ASP 20 5.152 10.752 2.416 148 HB2 ASP 20 2HB ASP 20 7.752 10.788 1.274 149 HB3 ASP 20 1HB ASP 20 6.791 12.159 1.804 150 H SER 21 H SER 21 6.614 7.866 3.250 151 HA SER 21 HA SER 21 6.921 6.833 0.543 152 HB2 SER 21 2HB SER 21 6.671 4.768 2.521 153 HB3 SER 21 1HB SER 21 8.104 5.246 1.615 154 HG SER 21 HG SER 21 8.782 5.984 3.459 155 H CYS 22 H CYS 22 5.489 5.146 -0.304 156 HA CYS 22 HA CYS 22 2.828 5.037 1.045 157 HB2 CYS 22 2HB CYS 22 3.203 5.133 -1.956 158 HB3 CYS 22 1HB CYS 22 1.691 5.212 -1.073 159 H TYR 23 H TYR 23 2.451 2.892 1.498 160 HA TYR 23 HA TYR 23 4.165 0.984 0.025 161 HB2 TYR 23 2HB TYR 23 3.923 -0.525 1.848 162 HB3 TYR 23 1HB TYR 23 4.204 1.060 2.547 163 HD1 TYR 23 1HD TYR 23 1.374 -1.149 1.467 164 HD2 TYR 23 2HD TYR 23 2.774 1.810 4.241 165 HE1 TYR 23 1HE TYR 23 -0.723 -1.378 2.755 166 HE2 TYR 23 2HE TYR 23 0.669 1.586 5.532 167 HH TYR 23 HH TYR 23 -1.439 0.754 5.487 168 H LYS 24 H LYS 24 3.431 -0.701 -1.041 169 HA LYS 24 HA LYS 24 0.520 -1.288 -1.115 170 HB2 LYS 24 2HB LYS 24 1.831 0.132 -3.159 171 HB3 LYS 24 1HB LYS 24 1.672 -1.521 -3.751 172 HG2 LYS 24 2HG LYS 24 -0.763 -1.264 -2.719 173 HG3 LYS 24 1HG LYS 24 -0.445 0.436 -3.053 174 HD2 LYS 24 2HD LYS 24 -0.502 -1.870 -4.997 175 HD3 LYS 24 1HD LYS 24 -1.431 -0.374 -5.053 176 HE2 LYS 24 2HE LYS 24 1.102 0.615 -5.085 177 HE3 LYS 24 1HE LYS 24 1.341 -0.907 -5.939 178 HZ1 LYS 24 3HZ LYS 24 -1.023 0.500 -6.760 179 HZ2 LYS 24 1HZ LYS 24 0.218 -0.173 -7.700 180 HZ3 LYS 24 2HZ LYS 24 0.403 1.381 -7.041 181 H ASN 25 H ASN 25 0.762 -3.327 -0.213 182 HA ASN 25 HA ASN 25 2.677 -5.126 -1.658 183 HB2 ASN 25 2HB ASN 25 2.598 -6.370 0.666 184 HB3 ASN 25 1HB ASN 25 3.670 -5.000 0.427 185 HD21 ASN 25 1HD2 ASN 25 2.450 -2.772 0.895 186 HD22 ASN 25 2HD2 ASN 25 1.553 -2.769 2.332 187 H ILE 26 H ILE 26 2.092 -7.408 -1.646 188 HA ILE 26 HA ILE 26 -0.850 -7.754 -1.851 189 HB ILE 26 HB ILE 26 -0.449 -9.515 -3.359 190 HG12 ILE 26 2HG1 ILE 26 1.235 -10.666 -1.851 191 HG13 ILE 26 1HG1 ILE 26 1.603 -10.749 -3.571 192 HG21 ILE 26 1HG2 ILE 26 0.329 -8.162 -4.965 193 HG22 ILE 26 2HG2 ILE 26 1.969 -8.315 -4.337 194 HG23 ILE 26 3HG2 ILE 26 0.901 -7.055 -3.717 195 HD11 ILE 26 3HD1 ILE 26 3.663 -10.141 -2.624 196 HD12 ILE 26 1HD1 ILE 26 2.912 -9.067 -1.446 197 HD13 ILE 26 2HD1 ILE 26 3.001 -8.592 -3.141 198 H TRP 27 H TRP 27 1.842 -8.626 0.106 199 HA TRP 27 HA TRP 27 0.820 -11.116 1.143 200 HB2 TRP 27 2HB TRP 27 2.650 -9.155 2.551 201 HB3 TRP 27 1HB TRP 27 2.509 -10.887 2.853 202 HD1 TRP 27 HD TRP 27 4.201 -8.381 0.634 203 HE1 TRP 27 1HE TRP 27 5.715 -9.600 -1.060 204 HE3 TRP 27 3HE TRP 27 2.692 -13.199 1.407 205 HZ2 TRP 27 2HZ TRP 27 6.223 -12.268 -1.963 206 HZ3 TRP 27 3HZ TRP 27 3.706 -15.057 0.121 207 HH2 TRP 27 HH TRP 27 5.467 -14.600 -1.562 208 H THR 28 H THR 28 -1.233 -11.068 1.989 209 HA THR 28 HA THR 28 -1.639 -9.560 4.461 210 HB THR 28 HB THR 28 -2.259 -8.118 2.305 211 HG1 THR 28 1HG THR 28 -3.976 -8.353 4.547 212 HG21 THR 28 3HG2 THR 28 -3.823 -10.038 1.563 213 HG22 THR 28 1HG2 THR 28 -4.454 -8.393 1.499 214 HG23 THR 28 2HG2 THR 28 -4.905 -9.459 2.829 215 H PHE 29 H PHE 29 -3.890 -10.128 5.381 216 HA PHE 29 HA PHE 29 -4.416 -12.982 4.728 217 HB2 PHE 29 2HB PHE 29 -4.551 -11.330 7.167 218 HB3 PHE 29 1HB PHE 29 -5.911 -12.435 6.965 219 HD1 PHE 29 2HD PHE 29 -5.091 -14.852 5.953 220 HD2 PHE 29 1HD PHE 29 -2.751 -12.179 8.369 221 HE1 PHE 29 2HE PHE 29 -3.656 -16.747 6.658 222 HE2 PHE 29 1HE PHE 29 -1.316 -14.073 9.074 223 HZ PHE 29 HZ PHE 29 -1.767 -16.358 8.217 224 H ASP 30 H ASP 30 -6.517 -10.339 5.925 225 HA ASP 30 HA ASP 30 -8.912 -11.337 4.840 226 HB2 ASP 30 2HB ASP 30 -7.971 -8.555 5.507 227 HB3 ASP 30 1HB ASP 30 -9.557 -8.808 4.778 228 H ASN 31 H ASN 31 -7.917 -8.286 3.430 229 HA ASN 31 HA ASN 31 -8.790 -9.107 0.805 230 HB2 ASN 31 2HB ASN 31 -7.034 -6.723 1.426 231 HB3 ASN 31 1HB ASN 31 -8.187 -6.904 0.103 232 HD21 ASN 31 1HD2 ASN 31 -10.551 -7.079 0.774 233 HD22 ASN 31 2HD2 ASN 31 -11.050 -6.278 2.186 234 H ILE 32 H ILE 32 -6.460 -7.676 -0.531 235 HA ILE 32 HA ILE 32 -4.373 -9.786 -0.236 236 HB ILE 32 HB ILE 32 -5.166 -8.769 -2.950 237 HG12 ILE 32 2HG1 ILE 32 -7.197 -9.699 -1.759 238 HG13 ILE 32 1HG1 ILE 32 -6.735 -10.588 -3.211 239 HG21 ILE 32 1HG2 ILE 32 -3.048 -10.014 -2.666 240 HG22 ILE 32 2HG2 ILE 32 -4.197 -10.924 -3.646 241 HG23 ILE 32 3HG2 ILE 32 -3.941 -11.360 -1.957 242 HD11 ILE 32 3HD1 ILE 32 -5.455 -11.495 -0.698 243 HD12 ILE 32 1HD1 ILE 32 -6.104 -12.442 -2.036 244 HD13 ILE 32 2HD1 ILE 32 -7.191 -11.782 -0.814 245 H ILE 33 H ILE 33 -4.926 -6.978 -2.380 246 HA ILE 33 HA ILE 33 -2.167 -6.066 -1.817 247 HB ILE 33 HB ILE 33 -3.988 -4.451 -3.529 248 HG12 ILE 33 2HG1 ILE 33 -4.675 -6.659 -4.176 249 HG13 ILE 33 1HG1 ILE 33 -3.599 -6.045 -5.432 250 HG21 ILE 33 1HG2 ILE 33 -1.855 -4.597 -4.970 251 HG22 ILE 33 2HG2 ILE 33 -1.113 -5.361 -3.564 252 HG23 ILE 33 3HG2 ILE 33 -1.743 -3.718 -3.446 253 HD11 ILE 33 3HD1 ILE 33 -2.713 -8.172 -5.088 254 HD12 ILE 33 1HD1 ILE 33 -3.095 -8.163 -3.367 255 HD13 ILE 33 2HD1 ILE 33 -1.737 -7.215 -3.974 256 H ARG 34 H ARG 34 -1.719 -4.079 -0.821 257 HA ARG 34 HA ARG 34 -4.048 -2.476 0.043 258 HB2 ARG 34 2HB ARG 34 -3.484 -4.194 1.837 259 HB3 ARG 34 1HB ARG 34 -1.997 -3.273 2.091 260 HG2 ARG 34 2HG ARG 34 -3.154 -1.348 2.765 261 HG3 ARG 34 1HG ARG 34 -4.650 -1.869 2.013 262 HD2 ARG 34 2HD ARG 34 -5.077 -3.474 3.708 263 HD3 ARG 34 1HD ARG 34 -3.422 -3.390 4.311 264 HE ARG 34 HE ARG 34 -4.027 -1.000 5.022 265 HH11 ARG 34 1HH2 ARG 34 -6.845 -1.726 3.723 266 HH12 ARG 34 2HH2 ARG 34 -7.786 -1.817 5.174 267 HH21 ARG 34 1HH1 ARG 34 -5.031 -1.873 7.276 268 HH22 ARG 34 2HH1 ARG 34 -6.761 -1.900 7.184 269 H ARG 35 H ARG 35 -3.575 -0.574 -0.701 270 HA ARG 35 HA ARG 35 -0.831 0.454 -0.851 271 HB2 ARG 35 2HB ARG 35 -3.359 1.983 -1.446 272 HB3 ARG 35 1HB ARG 35 -1.752 2.251 -2.103 273 HG2 ARG 35 2HG ARG 35 -2.100 0.768 -3.765 274 HG3 ARG 35 1HG ARG 35 -2.666 -0.458 -2.633 275 HD2 ARG 35 2HD ARG 35 -4.759 -0.130 -3.380 276 HD3 ARG 35 1HD ARG 35 -4.690 1.529 -2.786 277 HE ARG 35 HE ARG 35 -4.529 2.198 -5.032 278 HH11 ARG 35 1HH2 ARG 35 -3.712 -1.121 -4.667 279 HH12 ARG 35 2HH2 ARG 35 -3.173 -1.311 -6.302 280 HH21 ARG 35 1HH1 ARG 35 -3.649 2.021 -7.129 281 HH22 ARG 35 2HH1 ARG 35 -3.135 0.467 -7.694 282 H GLY 36 H GLY 36 0.039 1.783 0.719 283 HA2 GLY 36 2HA GLY 36 -1.787 3.275 2.509 284 HA3 GLY 36 1HA GLY 36 -0.704 2.117 3.267 285 H CYS 37 H CYS 37 0.159 4.063 4.380 286 HA CYS 37 HA CYS 37 1.994 5.647 2.628 287 HB2 CYS 37 2HB CYS 37 1.223 6.441 5.428 288 HB3 CYS 37 1HB CYS 37 1.776 7.463 4.102 289 H GLY 38 H GLY 38 3.997 4.804 2.727 290 HA2 GLY 38 2HA GLY 38 6.014 4.786 4.282 291 HA3 GLY 38 1HA GLY 38 5.017 3.778 5.333 292 H CYS 39 H CYS 39 6.569 2.056 5.074 293 HA CYS 39 HA CYS 39 6.401 0.741 2.389 294 HB2 CYS 39 2HB CYS 39 8.592 0.466 4.466 295 HB3 CYS 39 1HB CYS 39 8.516 -0.416 2.945 296 H PHE 40 H PHE 40 6.610 -1.698 2.587 297 HA PHE 40 HA PHE 40 4.495 -2.666 4.290 298 HB2 PHE 40 2HB PHE 40 5.808 -4.961 3.568 299 HB3 PHE 40 1HB PHE 40 4.597 -4.162 2.570 300 HD1 PHE 40 1HD PHE 40 8.182 -4.766 3.081 301 HD2 PHE 40 2HD PHE 40 5.235 -2.773 0.683 302 HE1 PHE 40 1HE PHE 40 9.904 -4.296 1.358 303 HE2 PHE 40 2HE PHE 40 6.945 -2.302 -1.048 304 HZ PHE 40 HZ PHE 40 9.291 -3.060 -0.712 305 H THR 41 H THR 41 5.128 -4.835 5.593 306 HA THR 41 HA THR 41 6.979 -3.851 7.657 307 HB THR 41 HB THR 41 5.492 -6.427 7.941 308 HG1 THR 41 1HG THR 41 3.775 -5.296 7.439 309 HG21 THR 41 3HG2 THR 41 5.329 -5.510 10.277 310 HG22 THR 41 1HG2 THR 41 6.334 -4.160 9.749 311 HG23 THR 41 2HG2 THR 41 6.978 -5.802 9.721 312 HA PRO 42 HA PRO 42 9.105 -7.947 6.763 313 HB2 PRO 42 2HB PRO 42 8.131 -9.572 4.769 314 HB3 PRO 42 1HB PRO 42 7.569 -9.636 6.449 315 HG2 PRO 42 2HG PRO 42 6.154 -8.618 4.063 316 HG3 PRO 42 1HG PRO 42 5.495 -9.064 5.645 317 HD2 PRO 42 2HD PRO 42 6.082 -6.425 4.633 318 HD3 PRO 42 1HD PRO 42 5.371 -6.841 6.207 319 H ARG 43 H ARG 43 9.480 -5.481 5.373 320 HA ARG 43 HA ARG 43 10.020 -5.688 2.606 321 HB2 ARG 43 2HB ARG 43 11.840 -3.984 3.040 322 HB3 ARG 43 1HB ARG 43 10.262 -3.551 3.679 323 HG2 ARG 43 2HG ARG 43 10.962 -4.499 5.896 324 HG3 ARG 43 1HG ARG 43 12.576 -4.732 5.228 325 HD2 ARG 43 2HD ARG 43 13.011 -2.625 5.914 326 HD3 ARG 43 1HD ARG 43 11.992 -2.099 4.574 327 HE ARG 43 HE ARG 43 10.074 -2.157 6.245 328 HH11 ARG 43 1HH2 ARG 43 12.113 0.073 6.738 329 HH12 ARG 43 2HH2 ARG 43 12.312 -0.040 8.455 330 HH21 ARG 43 1HH1 ARG 43 10.859 -3.181 8.684 331 HH22 ARG 43 2HH1 ARG 43 11.602 -1.882 9.557 332 H GLY 44 H GLY 44 11.838 -6.416 1.437 333 HA2 GLY 44 2HA GLY 44 14.325 -7.136 2.373 334 HA3 GLY 44 1HA GLY 44 13.318 -8.542 2.708 335 H ASP 45 H ASP 45 14.994 -9.443 1.077 336 HA ASP 45 HA ASP 45 14.359 -8.745 -1.728 337 HB2 ASP 45 2HB ASP 45 16.260 -10.146 -2.312 338 HB3 ASP 45 1HB ASP 45 16.732 -9.057 -1.005 339 H MET 46 H MET 46 13.100 -10.815 0.570 340 HA MET 46 HA MET 46 12.692 -13.092 -1.237 341 HB2 MET 46 2HB MET 46 10.978 -12.988 1.152 342 HB3 MET 46 1HB MET 46 12.046 -14.267 0.588 343 HG2 MET 46 2HG MET 46 12.870 -11.775 2.104 344 HG3 MET 46 1HG MET 46 12.888 -13.428 2.705 345 HE1 MET 46 3HE MET 46 14.738 -14.604 2.969 346 HE2 MET 46 1HE MET 46 15.557 -13.091 3.379 347 HE3 MET 46 2HE MET 46 16.350 -14.272 2.341 348 HA PRO 47 HA PRO 47 8.293 -11.306 -1.275 349 HB2 PRO 47 2HB PRO 47 7.824 -9.004 0.154 350 HB3 PRO 47 1HB PRO 47 7.689 -10.624 0.854 351 HG2 PRO 47 2HG PRO 47 9.783 -8.570 1.297 352 HG3 PRO 47 1HG PRO 47 9.331 -9.946 2.315 353 HD2 PRO 47 2HD PRO 47 11.568 -9.772 0.532 354 HD3 PRO 47 1HD PRO 47 11.055 -11.190 1.465 355 H GLY 48 H GLY 48 7.244 -9.352 -2.459 356 HA2 GLY 48 2HA GLY 48 9.224 -7.409 -3.439 357 HA3 GLY 48 1HA GLY 48 8.456 -8.437 -4.639 358 HA PRO 49 HA PRO 49 4.846 -5.831 -3.051 359 HB2 PRO 49 2HB PRO 49 5.138 -4.438 -0.702 360 HB3 PRO 49 1HB PRO 49 4.555 -6.106 -0.792 361 HG2 PRO 49 2HG PRO 49 7.192 -5.115 0.132 362 HG3 PRO 49 1HG PRO 49 6.369 -6.621 0.520 363 HD2 PRO 49 2HD PRO 49 8.505 -6.294 -1.329 364 HD3 PRO 49 1HD PRO 49 7.504 -7.732 -1.090 365 H TYR 50 H TYR 50 4.577 -3.152 -2.233 366 HA TYR 50 HA TYR 50 6.806 -1.806 -3.706 367 HB2 TYR 50 2HB TYR 50 3.962 -1.941 -4.360 368 HB3 TYR 50 1HB TYR 50 4.574 -0.288 -4.296 369 HD1 TYR 50 1HD TYR 50 6.555 0.368 -5.690 370 HD2 TYR 50 2HD TYR 50 4.625 -3.450 -6.098 371 HE1 TYR 50 1HE TYR 50 7.650 0.049 -7.893 372 HE2 TYR 50 2HE TYR 50 5.721 -3.769 -8.299 373 HH TYR 50 HH TYR 50 6.944 -1.473 -10.094 374 H CYS 51 H CYS 51 7.578 0.011 -2.832 375 HA CYS 51 HA CYS 51 5.961 1.604 -0.887 376 HB2 CYS 51 2HB CYS 51 7.544 0.087 0.419 377 HB3 CYS 51 1HB CYS 51 8.864 0.919 -0.400 378 H CYS 52 H CYS 52 6.424 3.789 -1.141 379 HA CYS 52 HA CYS 52 8.810 4.674 -2.600 380 HB2 CYS 52 2HB CYS 52 6.654 5.806 -4.129 381 HB3 CYS 52 1HB CYS 52 8.033 4.872 -4.693 382 H GLU 53 H GLU 53 9.239 6.843 -2.298 383 HA GLU 53 HA GLU 53 7.574 8.198 -0.313 384 HB2 GLU 53 2HB GLU 53 9.914 9.533 -1.588 385 HB3 GLU 53 1HB GLU 53 9.363 9.577 0.087 386 HG2 GLU 53 2HG GLU 53 10.918 8.025 0.561 387 HG3 GLU 53 1HG GLU 53 9.976 6.882 -0.394 388 H SER 54 H SER 54 7.271 7.970 -3.565 389 HA SER 54 HA SER 54 6.727 10.811 -4.096 390 HB2 SER 54 2HB SER 54 5.577 9.072 -6.068 391 HB3 SER 54 1HB SER 54 6.955 10.155 -6.235 392 HG SER 54 HG SER 54 6.947 7.511 -6.147 393 H ASP 55 H ASP 55 4.583 11.666 -4.422 394 HA ASP 55 HA ASP 55 2.592 10.499 -2.689 395 HB2 ASP 55 2HB ASP 55 2.045 12.558 -4.830 396 HB3 ASP 55 1HB ASP 55 1.166 12.297 -3.330 397 H LYS 56 H LYS 56 0.614 9.549 -3.273 398 HA LYS 56 HA LYS 56 -0.692 8.019 -4.490 399 HB2 LYS 56 2HB LYS 56 0.180 9.531 -6.949 400 HB3 LYS 56 1HB LYS 56 -1.374 8.763 -6.630 401 HG2 LYS 56 2HG LYS 56 -1.486 10.453 -4.623 402 HG3 LYS 56 1HG LYS 56 -0.290 11.351 -5.560 403 HD2 LYS 56 2HD LYS 56 -2.329 10.513 -7.365 404 HD3 LYS 56 1HD LYS 56 -3.125 11.226 -5.961 405 HE2 LYS 56 2HE LYS 56 -0.796 12.570 -7.342 406 HE3 LYS 56 1HE LYS 56 -2.467 12.852 -7.830 407 HZ1 LYS 56 3HZ LYS 56 -2.453 14.406 -6.251 408 HZ2 LYS 56 1HZ LYS 56 -1.045 13.803 -5.521 409 HZ3 LYS 56 2HZ LYS 56 -2.557 13.125 -5.140 410 H CYS 57 H CYS 57 2.287 7.485 -4.204 411 HA CYS 57 HA CYS 57 3.260 6.340 -6.628 412 HB2 CYS 57 2HB CYS 57 5.086 5.969 -5.358 413 HB3 CYS 57 1HB CYS 57 4.195 6.609 -3.986 414 H ASN 58 H ASN 58 1.083 5.044 -4.160 415 HA ASN 58 HA ASN 58 1.192 2.407 -5.399 416 HB2 ASN 58 2HB ASN 58 -0.801 2.086 -3.669 417 HB3 ASN 58 1HB ASN 58 0.883 2.036 -3.160 418 HD21 ASN 58 1HD2 ASN 58 0.066 2.765 -0.977 419 HD22 ASN 58 2HD2 ASN 58 -0.332 4.400 -0.739 420 H LEU 59 H LEU 59 0.125 4.649 -7.014 421 HA LEU 59 HA LEU 59 -2.630 3.560 -7.419 422 HB2 LEU 59 2HB LEU 59 -2.563 5.973 -6.749 423 HB3 LEU 59 1HB LEU 59 -1.628 6.313 -8.206 424 HG LEU 59 HG LEU 59 -4.148 6.688 -8.394 425 HD11 LEU 59 1HD1 LEU 59 -2.297 5.806 -10.234 426 HD12 LEU 59 2HD1 LEU 59 -3.926 6.363 -10.618 427 HD13 LEU 59 3HD1 LEU 59 -3.606 4.639 -10.422 428 HD21 LEU 59 3HD2 LEU 59 -5.622 4.888 -8.348 429 HD22 LEU 59 1HD2 LEU 59 -4.465 4.397 -7.112 430 HD23 LEU 59 2HD2 LEU 59 -4.361 3.717 -8.735 Start of MODEL 13 1 H1 ARG 1 1HT ARG 1 1.962 10.855 4.511 2 H2 ARG 1 2HT ARG 1 3.427 11.390 3.840 3 H3 ARG 1 3HT ARG 1 2.565 10.122 3.107 4 HA ARG 1 HA ARG 1 1.562 12.901 3.379 5 HB2 ARG 1 2HB ARG 1 2.335 13.352 1.225 6 HB3 ARG 1 1HB ARG 1 3.627 12.343 1.858 7 HG2 ARG 1 2HG ARG 1 1.675 10.595 0.728 8 HG3 ARG 1 1HG ARG 1 1.985 11.868 -0.439 9 HD2 ARG 1 2HD ARG 1 4.218 10.417 0.946 10 HD3 ARG 1 1HD ARG 1 3.486 9.789 -0.515 11 HE ARG 1 HE ARG 1 5.051 11.234 -1.519 12 HH11 ARG 1 1HH1 ARG 1 5.341 12.648 1.326 13 HH12 ARG 1 2HH1 ARG 1 5.109 14.285 0.817 14 HH21 ARG 1 1HH2 ARG 1 3.970 13.429 -2.334 15 HH22 ARG 1 2HH2 ARG 1 4.325 14.727 -1.244 16 H ILE 2 H ILE 2 0.345 12.433 0.655 17 HA ILE 2 HA ILE 2 -2.020 10.949 1.637 18 HB ILE 2 HB ILE 2 -1.516 12.468 -0.933 19 HG12 ILE 2 2HG1 ILE 2 -3.663 13.550 0.457 20 HG13 ILE 2 1HG1 ILE 2 -2.530 13.085 1.727 21 HG21 ILE 2 1HG2 ILE 2 -3.954 12.104 -1.338 22 HG22 ILE 2 2HG2 ILE 2 -4.008 11.044 0.071 23 HG23 ILE 2 3HG2 ILE 2 -3.051 10.590 -1.338 24 HD11 ILE 2 3HD1 ILE 2 -0.886 14.234 -0.187 25 HD12 ILE 2 1HD1 ILE 2 -1.458 15.032 1.278 26 HD13 ILE 2 2HD1 ILE 2 -2.328 15.247 -0.240 27 H CYS 3 H CYS 3 -1.839 8.741 1.434 28 HA CYS 3 HA CYS 3 -0.924 7.826 -1.244 29 HB2 CYS 3 2HB CYS 3 -0.593 6.262 1.331 30 HB3 CYS 3 1HB CYS 3 0.010 5.803 -0.259 31 H TYR 4 H TYR 4 -1.844 5.371 -1.551 32 HA TYR 4 HA TYR 4 -4.747 5.739 -1.202 33 HB2 TYR 4 2HB TYR 4 -3.056 3.687 -2.637 34 HB3 TYR 4 1HB TYR 4 -4.786 3.446 -2.400 35 HD1 TYR 4 1HD TYR 4 -6.342 5.430 -3.076 36 HD2 TYR 4 2HD TYR 4 -2.312 4.946 -4.479 37 HE1 TYR 4 1HE TYR 4 -6.831 6.919 -4.997 38 HE2 TYR 4 2HE TYR 4 -2.800 6.437 -6.398 39 HH TYR 4 HH TYR 4 -4.824 7.169 -7.690 40 H ASN 5 H ASN 5 -6.043 4.405 0.147 41 HA ASN 5 HA ASN 5 -4.455 2.810 2.101 42 HB2 ASN 5 2HB ASN 5 -5.471 4.722 3.143 43 HB3 ASN 5 1HB ASN 5 -7.046 4.313 2.466 44 HD21 ASN 5 1HD2 ASN 5 -7.763 1.921 3.122 45 HD22 ASN 5 2HD2 ASN 5 -7.480 1.499 4.727 46 H HIS 6 H HIS 6 -7.257 2.615 -0.064 47 HA HIS 6 HA HIS 6 -8.442 0.394 1.244 48 HB2 HIS 6 2HB HIS 6 -9.237 1.821 -0.878 49 HB3 HIS 6 1HB HIS 6 -8.702 0.352 -1.678 50 HD1 HIS 6 1HD HIS 6 -10.848 1.254 1.350 51 HD2 HIS 6 2HD HIS 6 -10.607 -1.606 -1.677 52 HE1 HIS 6 1HE HIS 6 -12.841 -0.279 1.654 53 H LEU 7 H LEU 7 -8.699 -1.764 -0.106 54 HA LEU 7 HA LEU 7 -5.929 -2.821 -0.296 55 HB2 LEU 7 2HB LEU 7 -8.569 -4.169 0.282 56 HB3 LEU 7 1HB LEU 7 -7.051 -5.042 0.071 57 HG LEU 7 HG LEU 7 -6.131 -3.403 1.867 58 HD11 LEU 7 1HD1 LEU 7 -8.505 -3.209 3.357 59 HD12 LEU 7 2HD1 LEU 7 -8.934 -2.668 1.733 60 HD13 LEU 7 3HD1 LEU 7 -7.620 -1.880 2.607 61 HD21 LEU 7 3HD2 LEU 7 -6.499 -5.842 2.186 62 HD22 LEU 7 1HD2 LEU 7 -8.174 -5.513 2.629 63 HD23 LEU 7 2HD2 LEU 7 -6.861 -4.927 3.649 64 H GLY 8 H GLY 8 -5.786 -4.819 -1.712 65 HA2 GLY 8 2HA GLY 8 -5.741 -5.733 -3.856 66 HA3 GLY 8 1HA GLY 8 -7.440 -5.281 -3.953 67 H THR 9 H THR 9 -6.490 -5.027 -6.292 68 HA THR 9 HA THR 9 -5.061 -2.494 -6.726 69 HB THR 9 HB THR 9 -4.572 -4.481 -8.132 70 HG1 THR 9 1HG THR 9 -4.207 -2.515 -9.084 71 HG21 THR 9 3HG2 THR 9 -6.393 -4.946 -9.917 72 HG22 THR 9 1HG2 THR 9 -7.496 -4.168 -8.782 73 HG23 THR 9 2HG2 THR 9 -6.622 -5.624 -8.305 74 H LYS 10 H LYS 10 -8.309 -3.471 -6.371 75 HA LYS 10 HA LYS 10 -9.723 -1.906 -8.224 76 HB2 LYS 10 2HB LYS 10 -10.270 -3.159 -5.690 77 HB3 LYS 10 1HB LYS 10 -10.991 -1.548 -5.701 78 HG2 LYS 10 2HG LYS 10 -11.731 -2.310 -8.154 79 HG3 LYS 10 1HG LYS 10 -11.604 -3.909 -7.419 80 HD2 LYS 10 2HD LYS 10 -12.923 -2.210 -5.549 81 HD3 LYS 10 1HD LYS 10 -13.702 -1.984 -7.115 82 HE2 LYS 10 2HE LYS 10 -13.070 -4.761 -6.162 83 HE3 LYS 10 1HE LYS 10 -14.502 -3.933 -5.550 84 HZ1 LYS 10 3HZ LYS 10 -14.548 -5.349 -7.756 85 HZ2 LYS 10 1HZ LYS 10 -14.038 -3.881 -8.433 86 HZ3 LYS 10 2HZ LYS 10 -15.499 -3.953 -7.568 87 HA PRO 11 HA PRO 11 -9.028 2.292 -7.061 88 HB2 PRO 11 2HB PRO 11 -11.561 3.364 -6.944 89 HB3 PRO 11 1HB PRO 11 -10.750 2.941 -8.462 90 HG2 PRO 11 2HG PRO 11 -12.959 1.514 -7.055 91 HG3 PRO 11 1HG PRO 11 -12.559 1.538 -8.780 92 HD2 PRO 11 2HD PRO 11 -11.962 -0.552 -6.973 93 HD3 PRO 11 1HD PRO 11 -11.273 -0.355 -8.599 94 HA PRO 12 HA PRO 12 -9.772 1.861 -2.629 95 HB2 PRO 12 2HB PRO 12 -7.330 2.878 -1.891 96 HB3 PRO 12 1HB PRO 12 -7.539 1.208 -2.421 97 HG2 PRO 12 2HG PRO 12 -6.268 3.431 -3.823 98 HG3 PRO 12 1HG PRO 12 -6.089 1.699 -4.093 99 HD2 PRO 12 2HD PRO 12 -7.682 3.536 -5.636 100 HD3 PRO 12 1HD PRO 12 -7.546 1.781 -5.849 101 H THR 13 H THR 13 -9.163 3.645 -0.772 102 HA THR 13 HA THR 13 -10.062 6.273 -1.885 103 HB THR 13 HB THR 13 -11.028 6.752 0.258 104 HG1 THR 13 1HG THR 13 -9.707 4.389 1.094 105 HG21 THR 13 3HG2 THR 13 -12.066 4.150 0.533 106 HG22 THR 13 1HG2 THR 13 -11.683 4.332 -1.179 107 HG23 THR 13 2HG2 THR 13 -12.764 5.481 -0.391 108 H THR 14 H THR 14 -8.359 7.663 -2.049 109 HA THR 14 HA THR 14 -5.794 7.259 -1.087 110 HB THR 14 HB THR 14 -5.622 9.833 -1.030 111 HG1 THR 14 1HG THR 14 -7.375 10.904 -1.839 112 HG21 THR 14 3HG2 THR 14 -5.587 7.951 -3.064 113 HG22 THR 14 1HG2 THR 14 -5.014 9.615 -3.183 114 HG23 THR 14 2HG2 THR 14 -6.656 9.209 -3.685 115 H GLU 15 H GLU 15 -4.644 8.282 0.690 116 HA GLU 15 HA GLU 15 -6.223 9.112 3.029 117 HB2 GLU 15 2HB GLU 15 -5.844 6.452 2.782 118 HB3 GLU 15 1HB GLU 15 -4.323 6.878 3.565 119 HG2 GLU 15 2HG GLU 15 -6.194 6.270 5.156 120 HG3 GLU 15 1HG GLU 15 -5.482 7.861 5.439 121 H THR 16 H THR 16 -4.809 10.072 4.672 122 HA THR 16 HA THR 16 -2.181 10.815 3.479 123 HB THR 16 HB THR 16 -3.160 12.389 5.775 124 HG1 THR 16 1HG THR 16 -4.584 13.457 4.060 125 HG21 THR 16 3HG2 THR 16 -1.511 12.673 3.446 126 HG22 THR 16 1HG2 THR 16 -1.696 13.784 4.803 127 HG23 THR 16 2HG2 THR 16 -2.768 13.910 3.409 128 H CYS 17 H CYS 17 -0.312 10.552 4.640 129 HA CYS 17 HA CYS 17 -0.500 9.604 7.450 130 HB2 CYS 17 2HB CYS 17 1.319 8.228 5.472 131 HB3 CYS 17 1HB CYS 17 0.829 7.682 7.077 132 H GLN 18 H GLN 18 2.203 9.193 7.917 133 HA GLN 18 HA GLN 18 3.203 11.955 7.549 134 HB2 GLN 18 2HB GLN 18 3.241 10.932 9.806 135 HB3 GLN 18 1HB GLN 18 4.369 9.720 9.210 136 HG2 GLN 18 2HG GLN 18 5.489 11.694 10.319 137 HG3 GLN 18 1HG GLN 18 6.012 11.395 8.667 138 HE21 GLN 18 1HE2 GLN 18 5.067 12.811 6.944 139 HE22 GLN 18 2HE2 GLN 18 4.465 14.345 7.339 140 H GLU 19 H GLU 19 4.246 8.625 6.967 141 HA GLU 19 HA GLU 19 6.817 9.350 5.945 142 HB2 GLU 19 2HB GLU 19 5.507 6.956 4.770 143 HB3 GLU 19 1HB GLU 19 7.122 7.133 5.448 144 HG2 GLU 19 2HG GLU 19 5.703 7.507 7.696 145 HG3 GLU 19 1HG GLU 19 4.555 6.492 6.821 146 H ASP 20 H ASP 20 7.471 9.970 3.929 147 HA ASP 20 HA ASP 20 5.430 10.948 2.098 148 HB2 ASP 20 2HB ASP 20 7.945 10.846 0.748 149 HB3 ASP 20 1HB ASP 20 7.099 12.262 1.351 150 H SER 21 H SER 21 7.010 7.984 2.584 151 HA SER 21 HA SER 21 6.821 7.117 -0.202 152 HB2 SER 21 2HB SER 21 7.198 5.195 2.057 153 HB3 SER 21 1HB SER 21 7.949 5.206 0.465 154 HG SER 21 HG SER 21 9.334 5.857 2.244 155 H CYS 22 H CYS 22 5.291 5.554 -0.971 156 HA CYS 22 HA CYS 22 2.969 5.094 0.841 157 HB2 CYS 22 2HB CYS 22 2.917 5.327 -2.184 158 HB3 CYS 22 1HB CYS 22 1.527 5.107 -1.123 159 H TYR 23 H TYR 23 2.761 2.924 1.267 160 HA TYR 23 HA TYR 23 4.171 1.141 -0.644 161 HB2 TYR 23 2HB TYR 23 4.937 -0.211 1.052 162 HB3 TYR 23 1HB TYR 23 5.023 1.379 1.788 163 HD1 TYR 23 1HD TYR 23 2.356 1.979 2.728 164 HD2 TYR 23 2HD TYR 23 4.378 -1.809 2.608 165 HE1 TYR 23 1HE TYR 23 0.975 1.179 4.623 166 HE2 TYR 23 2HE TYR 23 2.984 -2.610 4.494 167 HH TYR 23 HH TYR 23 1.516 -0.895 6.546 168 H LYS 24 H LYS 24 3.157 -0.299 -1.621 169 HA LYS 24 HA LYS 24 0.439 -1.105 -0.693 170 HB2 LYS 24 2HB LYS 24 -0.363 -0.218 -2.595 171 HB3 LYS 24 1HB LYS 24 1.260 0.210 -3.106 172 HG2 LYS 24 2HG LYS 24 0.821 -2.618 -3.536 173 HG3 LYS 24 1HG LYS 24 -0.459 -1.665 -4.272 174 HD2 LYS 24 2HD LYS 24 2.250 -0.559 -4.617 175 HD3 LYS 24 1HD LYS 24 1.957 -2.088 -5.448 176 HE2 LYS 24 2HE LYS 24 -0.345 -0.456 -5.832 177 HE3 LYS 24 1HE LYS 24 1.071 0.535 -6.185 178 HZ1 LYS 24 3HZ LYS 24 1.726 -1.764 -7.375 179 HZ2 LYS 24 1HZ LYS 24 0.955 -0.477 -8.165 180 HZ3 LYS 24 2HZ LYS 24 0.039 -1.781 -7.579 181 H ASN 25 H ASN 25 0.637 -3.117 0.013 182 HA ASN 25 HA ASN 25 2.510 -4.958 -1.414 183 HB2 ASN 25 2HB ASN 25 2.370 -6.048 1.052 184 HB3 ASN 25 1HB ASN 25 3.548 -4.810 0.628 185 HD21 ASN 25 1HD2 ASN 25 2.530 -2.441 0.848 186 HD22 ASN 25 2HD2 ASN 25 1.642 -2.168 2.264 187 H ILE 26 H ILE 26 1.937 -7.228 -1.342 188 HA ILE 26 HA ILE 26 -0.978 -7.629 -1.575 189 HB ILE 26 HB ILE 26 -0.477 -9.550 -2.825 190 HG12 ILE 26 2HG1 ILE 26 0.973 -10.576 -1.041 191 HG13 ILE 26 1HG1 ILE 26 1.580 -10.823 -2.677 192 HG21 ILE 26 1HG2 ILE 26 0.917 -7.194 -3.389 193 HG22 ILE 26 2HG2 ILE 26 0.601 -8.518 -4.510 194 HG23 ILE 26 3HG2 ILE 26 2.109 -8.476 -3.597 195 HD11 ILE 26 3HD1 ILE 26 3.011 -8.743 -2.328 196 HD12 ILE 26 1HD1 ILE 26 3.466 -10.150 -1.367 197 HD13 ILE 26 2HD1 ILE 26 2.562 -8.830 -0.625 198 H TRP 27 H TRP 27 1.453 -8.015 0.753 199 HA TRP 27 HA TRP 27 0.450 -10.402 2.058 200 HB2 TRP 27 2HB TRP 27 2.086 -8.157 3.261 201 HB3 TRP 27 1HB TRP 27 1.961 -9.814 3.856 202 HD1 TRP 27 HD TRP 27 3.722 -7.684 1.289 203 HE1 TRP 27 1HE TRP 27 5.438 -9.122 0.009 204 HE3 TRP 27 3HE TRP 27 2.433 -12.321 2.993 205 HZ2 TRP 27 2HZ TRP 27 6.172 -11.873 -0.250 206 HZ3 TRP 27 3HZ TRP 27 3.656 -14.330 2.217 207 HH2 TRP 27 HH TRP 27 5.523 -14.113 0.599 208 H THR 28 H THR 28 -1.595 -10.396 2.877 209 HA THR 28 HA THR 28 -2.265 -8.426 4.930 210 HB THR 28 HB THR 28 -2.883 -7.452 2.601 211 HG1 THR 28 1HG THR 28 -3.661 -6.567 4.497 212 HG21 THR 28 3HG2 THR 28 -5.262 -9.279 2.978 213 HG22 THR 28 1HG2 THR 28 -3.935 -9.654 1.878 214 HG23 THR 28 2HG2 THR 28 -4.920 -8.214 1.615 215 H PHE 29 H PHE 29 -4.597 -8.959 5.767 216 HA PHE 29 HA PHE 29 -4.861 -11.935 5.738 217 HB2 PHE 29 2HB PHE 29 -4.651 -10.116 7.878 218 HB3 PHE 29 1HB PHE 29 -6.337 -10.636 7.861 219 HD1 PHE 29 2HD PHE 29 -2.831 -11.741 8.185 220 HD2 PHE 29 1HD PHE 29 -6.951 -12.959 8.236 221 HE1 PHE 29 2HE PHE 29 -2.174 -13.920 9.170 222 HE2 PHE 29 1HE PHE 29 -6.294 -15.140 9.218 223 HZ PHE 29 HZ PHE 29 -3.905 -15.619 9.686 224 H ASP 30 H ASP 30 -6.916 -9.014 6.113 225 HA ASP 30 HA ASP 30 -9.357 -10.382 5.516 226 HB2 ASP 30 2HB ASP 30 -8.585 -7.748 6.195 227 HB3 ASP 30 1HB ASP 30 -9.450 -7.625 4.662 228 H ASN 31 H ASN 31 -8.060 -7.828 3.407 229 HA ASN 31 HA ASN 31 -9.098 -9.281 1.068 230 HB2 ASN 31 2HB ASN 31 -9.140 -6.694 1.547 231 HB3 ASN 31 1HB ASN 31 -7.504 -6.742 0.892 232 HD21 ASN 31 1HD2 ASN 31 -7.498 -6.303 -1.310 233 HD22 ASN 31 2HD2 ASN 31 -8.714 -6.761 -2.403 234 H ILE 32 H ILE 32 -6.718 -7.857 -0.444 235 HA ILE 32 HA ILE 32 -4.669 -9.934 0.188 236 HB ILE 32 HB ILE 32 -5.214 -9.032 -2.634 237 HG12 ILE 32 2HG1 ILE 32 -7.348 -9.892 -1.810 238 HG13 ILE 32 1HG1 ILE 32 -6.614 -11.089 -2.878 239 HG21 ILE 32 1HG2 ILE 32 -3.273 -10.253 -2.709 240 HG22 ILE 32 2HG2 ILE 32 -4.405 -11.605 -2.745 241 HG23 ILE 32 3HG2 ILE 32 -3.647 -11.131 -1.226 242 HD11 ILE 32 3HD1 ILE 32 -5.723 -11.435 -0.128 243 HD12 ILE 32 1HD1 ILE 32 -6.471 -12.605 -1.214 244 HD13 ILE 32 2HD1 ILE 32 -7.480 -11.524 -0.253 245 H ILE 33 H ILE 33 -4.998 -7.157 -2.058 246 HA ILE 33 HA ILE 33 -2.274 -6.301 -1.288 247 HB ILE 33 HB ILE 33 -4.031 -4.883 -3.269 248 HG12 ILE 33 2HG1 ILE 33 -4.089 -7.343 -3.720 249 HG13 ILE 33 1HG1 ILE 33 -3.307 -6.420 -5.003 250 HG21 ILE 33 1HG2 ILE 33 -1.754 -4.582 -4.354 251 HG22 ILE 33 2HG2 ILE 33 -1.057 -5.303 -2.902 252 HG23 ILE 33 3HG2 ILE 33 -1.952 -3.787 -2.792 253 HD11 ILE 33 3HD1 ILE 33 -1.610 -7.912 -4.762 254 HD12 ILE 33 1HD1 ILE 33 -2.167 -8.424 -3.169 255 HD13 ILE 33 2HD1 ILE 33 -1.191 -6.964 -3.335 256 H ARG 34 H ARG 34 -1.856 -4.149 -0.492 257 HA ARG 34 HA ARG 34 -4.229 -2.567 0.217 258 HB2 ARG 34 2HB ARG 34 -3.579 -4.205 2.144 259 HB3 ARG 34 1HB ARG 34 -2.288 -3.032 2.439 260 HG2 ARG 34 2HG ARG 34 -3.758 -1.364 3.037 261 HG3 ARG 34 1HG ARG 34 -4.988 -1.924 1.934 262 HD2 ARG 34 2HD ARG 34 -6.035 -2.742 3.775 263 HD3 ARG 34 1HD ARG 34 -4.813 -4.014 3.737 264 HE ARG 34 HE ARG 34 -4.183 -3.105 5.816 265 HH11 ARG 34 1HH1 ARG 34 -5.874 -0.664 4.232 266 HH12 ARG 34 2HH1 ARG 34 -4.996 0.646 4.947 267 HH21 ARG 34 1HH2 ARG 34 -2.641 -1.405 6.455 268 HH22 ARG 34 2HH2 ARG 34 -3.166 0.228 6.206 269 H ARG 35 H ARG 35 -3.852 -0.547 -0.272 270 HA ARG 35 HA ARG 35 -1.110 0.402 -0.708 271 HB2 ARG 35 2HB ARG 35 -3.836 1.621 -1.089 272 HB3 ARG 35 1HB ARG 35 -2.369 2.557 -1.296 273 HG2 ARG 35 2HG ARG 35 -1.773 1.449 -3.206 274 HG3 ARG 35 1HG ARG 35 -2.486 -0.073 -2.677 275 HD2 ARG 35 2HD ARG 35 -4.649 1.682 -2.907 276 HD3 ARG 35 1HD ARG 35 -3.647 2.024 -4.317 277 HE ARG 35 HE ARG 35 -5.102 -0.464 -3.797 278 HH11 ARG 35 1HH2 ARG 35 -2.051 -0.761 -4.444 279 HH12 ARG 35 2HH2 ARG 35 -2.147 -1.106 -6.139 280 HH21 ARG 35 1HH1 ARG 35 -5.449 -0.091 -6.420 281 HH22 ARG 35 2HH1 ARG 35 -4.072 -0.723 -7.259 282 H GLY 36 H GLY 36 0.014 1.552 0.793 283 HA2 GLY 36 2HA GLY 36 -1.477 2.922 2.964 284 HA3 GLY 36 1HA GLY 36 -0.254 1.742 3.415 285 H CYS 37 H CYS 37 0.825 3.578 4.485 286 HA CYS 37 HA CYS 37 2.475 5.152 2.560 287 HB2 CYS 37 2HB CYS 37 1.772 6.307 5.234 288 HB3 CYS 37 1HB CYS 37 2.180 7.138 3.733 289 H GLY 38 H GLY 38 4.590 4.557 2.843 290 HA2 GLY 38 2HA GLY 38 6.532 4.433 4.374 291 HA3 GLY 38 1HA GLY 38 5.432 3.853 5.637 292 H CYS 39 H CYS 39 7.819 2.510 4.247 293 HA CYS 39 HA CYS 39 6.789 0.535 2.499 294 HB2 CYS 39 2HB CYS 39 9.278 0.707 4.134 295 HB3 CYS 39 1HB CYS 39 8.868 -0.812 3.343 296 H PHE 40 H PHE 40 6.905 -1.795 2.925 297 HA PHE 40 HA PHE 40 4.892 -2.539 4.840 298 HB2 PHE 40 2HB PHE 40 6.148 -4.926 4.123 299 HB3 PHE 40 1HB PHE 40 4.785 -4.193 3.278 300 HD1 PHE 40 1HD PHE 40 8.441 -4.629 3.310 301 HD2 PHE 40 2HD PHE 40 5.094 -2.939 1.223 302 HE1 PHE 40 1HE PHE 40 9.908 -4.132 1.368 303 HE2 PHE 40 2HE PHE 40 6.552 -2.450 -0.725 304 HZ PHE 40 HZ PHE 40 8.964 -3.039 -0.652 305 H THR 41 H THR 41 5.597 -4.761 6.123 306 HA THR 41 HA THR 41 7.450 -3.733 8.139 307 HB THR 41 HB THR 41 5.348 -5.793 8.054 308 HG1 THR 41 1HG THR 41 4.907 -4.062 9.235 309 HG21 THR 41 3HG2 THR 41 7.243 -7.263 8.580 310 HG22 THR 41 1HG2 THR 41 6.261 -7.010 10.023 311 HG23 THR 41 2HG2 THR 41 7.783 -6.142 9.830 312 HA PRO 42 HA PRO 42 10.039 -7.500 7.043 313 HB2 PRO 42 2HB PRO 42 9.071 -9.385 5.297 314 HB3 PRO 42 1HB PRO 42 8.746 -9.410 7.040 315 HG2 PRO 42 2HG PRO 42 6.906 -8.742 4.816 316 HG3 PRO 42 1HG PRO 42 6.526 -9.239 6.472 317 HD2 PRO 42 2HD PRO 42 6.474 -6.581 5.394 318 HD3 PRO 42 1HD PRO 42 6.167 -7.064 7.071 319 H ARG 43 H ARG 43 10.045 -5.133 5.518 320 HA ARG 43 HA ARG 43 10.083 -5.418 2.712 321 HB2 ARG 43 2HB ARG 43 12.072 -3.668 2.951 322 HB3 ARG 43 1HB ARG 43 10.414 -3.212 3.324 323 HG2 ARG 43 2HG ARG 43 11.793 -4.446 5.594 324 HG3 ARG 43 1HG ARG 43 12.568 -2.962 5.042 325 HD2 ARG 43 2HD ARG 43 10.070 -2.071 4.986 326 HD3 ARG 43 1HD ARG 43 9.821 -3.360 6.164 327 HE ARG 43 HE ARG 43 12.082 -1.994 7.064 328 HH11 ARG 43 1HH1 ARG 43 8.846 -2.061 7.639 329 HH12 ARG 43 2HH1 ARG 43 8.694 -0.420 8.176 330 HH21 ARG 43 1HH2 ARG 43 11.886 0.485 7.170 331 HH22 ARG 43 2HH2 ARG 43 10.415 1.020 7.911 332 H GLY 44 H GLY 44 11.730 -6.014 1.239 333 HA2 GLY 44 2HA GLY 44 14.369 -6.590 1.620 334 HA3 GLY 44 1HA GLY 44 13.568 -8.017 2.271 335 H ASP 45 H ASP 45 14.889 -8.941 0.349 336 HA ASP 45 HA ASP 45 13.571 -8.503 -2.264 337 HB2 ASP 45 2HB ASP 45 16.197 -9.181 -1.453 338 HB3 ASP 45 1HB ASP 45 15.559 -10.586 -2.311 339 H MET 46 H MET 46 13.220 -10.565 0.407 340 HA MET 46 HA MET 46 12.573 -13.000 -0.996 341 HB2 MET 46 2HB MET 46 12.776 -12.213 1.700 342 HB3 MET 46 1HB MET 46 11.110 -12.750 1.481 343 HG2 MET 46 2HG MET 46 13.548 -14.333 0.616 344 HG3 MET 46 1HG MET 46 12.648 -14.617 2.105 345 HE1 MET 46 3HE MET 46 12.067 -16.709 -1.624 346 HE2 MET 46 1HE MET 46 13.437 -16.249 -0.602 347 HE3 MET 46 2HE MET 46 12.779 -15.104 -1.769 348 HA PRO 47 HA PRO 47 8.082 -11.465 -0.740 349 HB2 PRO 47 2HB PRO 47 7.612 -9.030 0.440 350 HB3 PRO 47 1HB PRO 47 7.678 -10.546 1.347 351 HG2 PRO 47 2HG PRO 47 9.670 -8.342 1.250 352 HG3 PRO 47 1HG PRO 47 9.408 -9.563 2.506 353 HD2 PRO 47 2HD PRO 47 11.449 -9.575 0.511 354 HD3 PRO 47 1HD PRO 47 11.067 -10.881 1.649 355 H GLY 48 H GLY 48 6.777 -9.702 -2.018 356 HA2 GLY 48 2HA GLY 48 8.595 -7.928 -3.530 357 HA3 GLY 48 1HA GLY 48 7.564 -9.035 -4.423 358 HA PRO 49 HA PRO 49 4.433 -6.015 -2.596 359 HB2 PRO 49 2HB PRO 49 5.150 -4.464 -0.443 360 HB3 PRO 49 1HB PRO 49 4.474 -6.096 -0.300 361 HG2 PRO 49 2HG PRO 49 7.255 -5.203 0.168 362 HG3 PRO 49 1HG PRO 49 6.434 -6.643 0.758 363 HD2 PRO 49 2HD PRO 49 8.287 -6.489 -1.413 364 HD3 PRO 49 1HD PRO 49 7.337 -7.882 -0.889 365 H TYR 50 H TYR 50 4.489 -3.251 -1.945 366 HA TYR 50 HA TYR 50 6.546 -2.208 -3.846 367 HB2 TYR 50 2HB TYR 50 3.688 -2.224 -4.171 368 HB3 TYR 50 1HB TYR 50 4.270 -0.560 -4.095 369 HD1 TYR 50 2HD TYR 50 5.142 -3.858 -5.655 370 HD2 TYR 50 1HD TYR 50 5.155 0.422 -6.023 371 HE1 TYR 50 2HE TYR 50 6.043 -4.059 -7.957 372 HE2 TYR 50 1HE TYR 50 6.056 0.222 -8.325 373 HH TYR 50 HH TYR 50 7.471 -1.617 -9.587 374 H CYS 51 H CYS 51 7.172 -0.057 -3.581 375 HA CYS 51 HA CYS 51 6.315 1.466 -1.150 376 HB2 CYS 51 2HB CYS 51 9.050 0.313 -1.692 377 HB3 CYS 51 1HB CYS 51 8.893 1.861 -0.867 378 H CYS 52 H CYS 52 5.765 3.346 -2.244 379 HA CYS 52 HA CYS 52 7.696 4.333 -4.306 380 HB2 CYS 52 2HB CYS 52 5.492 3.796 -5.253 381 HB3 CYS 52 1HB CYS 52 4.720 4.885 -4.110 382 H GLU 53 H GLU 53 7.830 6.717 -4.408 383 HA GLU 53 HA GLU 53 7.426 7.895 -1.694 384 HB2 GLU 53 2HB GLU 53 9.527 8.824 -3.640 385 HB3 GLU 53 1HB GLU 53 9.430 9.105 -1.899 386 HG2 GLU 53 2HG GLU 53 10.540 7.200 -1.463 387 HG3 GLU 53 1HG GLU 53 9.414 6.267 -2.447 388 H SER 54 H SER 54 5.355 8.024 -3.469 389 HA SER 54 HA SER 54 5.228 10.945 -3.976 390 HB2 SER 54 2HB SER 54 3.796 9.531 -6.048 391 HB3 SER 54 1HB SER 54 5.064 10.742 -6.217 392 HG SER 54 HG SER 54 6.137 9.070 -6.946 393 H ASP 55 H ASP 55 2.973 11.714 -3.881 394 HA ASP 55 HA ASP 55 1.396 10.163 -2.034 395 HB2 ASP 55 2HB ASP 55 0.140 12.333 -3.676 396 HB3 ASP 55 1HB ASP 55 -0.069 11.941 -1.974 397 H LYS 56 H LYS 56 -0.675 9.201 -2.428 398 HA LYS 56 HA LYS 56 -1.876 7.534 -3.611 399 HB2 LYS 56 2HB LYS 56 -3.164 8.481 -5.428 400 HB3 LYS 56 1HB LYS 56 -2.957 9.736 -4.207 401 HG2 LYS 56 2HG LYS 56 -1.115 10.712 -5.480 402 HG3 LYS 56 1HG LYS 56 -1.228 9.424 -6.679 403 HD2 LYS 56 2HD LYS 56 -3.558 10.124 -7.181 404 HD3 LYS 56 1HD LYS 56 -3.386 11.452 -6.032 405 HE2 LYS 56 2HE LYS 56 -1.419 12.266 -7.372 406 HE3 LYS 56 1HE LYS 56 -1.793 11.032 -8.574 407 HZ1 LYS 56 3HZ LYS 56 -3.746 13.067 -7.660 408 HZ2 LYS 56 1HZ LYS 56 -3.902 12.005 -8.973 409 HZ3 LYS 56 2HZ LYS 56 -2.763 13.263 -9.031 410 H CYS 57 H CYS 57 0.979 7.375 -3.983 411 HA CYS 57 HA CYS 57 1.400 6.909 -6.853 412 HB2 CYS 57 2HB CYS 57 3.127 7.927 -5.340 413 HB3 CYS 57 1HB CYS 57 3.277 6.359 -4.548 414 H ASN 58 H ASN 58 0.243 4.960 -4.247 415 HA ASN 58 HA ASN 58 1.355 2.537 -5.495 416 HB2 ASN 58 2HB ASN 58 0.007 1.442 -3.557 417 HB3 ASN 58 1HB ASN 58 1.511 2.274 -3.190 418 HD21 ASN 58 1HD2 ASN 58 0.214 2.270 -0.966 419 HD22 ASN 58 2HD2 ASN 58 -0.768 3.638 -0.688 420 H LEU 59 H LEU 59 -0.367 3.785 -7.217 421 HA LEU 59 HA LEU 59 -2.905 2.227 -6.969 422 HB2 LEU 59 2HB LEU 59 -2.598 4.910 -7.423 423 HB3 LEU 59 1HB LEU 59 -2.727 4.293 -9.069 424 HG LEU 59 HG LEU 59 -4.956 4.838 -8.160 425 HD11 LEU 59 1HD1 LEU 59 -5.897 2.411 -8.344 426 HD12 LEU 59 2HD1 LEU 59 -4.226 1.962 -8.687 427 HD13 LEU 59 3HD1 LEU 59 -5.068 3.099 -9.740 428 HD21 LEU 59 3HD2 LEU 59 -5.304 4.473 -5.959 429 HD22 LEU 59 1HD2 LEU 59 -3.851 3.481 -5.845 430 HD23 LEU 59 2HD2 LEU 59 -5.382 2.748 -6.318 Start of MODEL 14 1 H1 ARG 1 1HT ARG 1 3.384 12.871 4.192 2 H2 ARG 1 2HT ARG 1 1.834 13.499 4.495 3 H3 ARG 1 3HT ARG 1 3.105 14.539 4.058 4 HA ARG 1 HA ARG 1 2.116 14.385 2.046 5 HB2 ARG 1 2HB ARG 1 4.438 13.283 2.036 6 HB3 ARG 1 1HB ARG 1 3.576 11.745 1.983 7 HG2 ARG 1 2HG ARG 1 2.286 12.793 -0.007 8 HG3 ARG 1 1HG ARG 1 3.614 13.941 -0.073 9 HD2 ARG 1 2HD ARG 1 4.735 11.337 0.184 10 HD3 ARG 1 1HD ARG 1 3.505 11.252 -1.064 11 HE ARG 1 HE ARG 1 5.352 12.107 -2.296 12 HH11 ARG 1 1HH2 ARG 1 4.024 14.738 -2.036 13 HH12 ARG 1 2HH2 ARG 1 5.287 15.738 -1.399 14 HH21 ARG 1 1HH1 ARG 1 7.271 13.074 -0.419 15 HH22 ARG 1 2HH1 ARG 1 7.119 14.797 -0.482 16 H ILE 2 H ILE 2 0.656 13.180 0.536 17 HA ILE 2 HA ILE 2 -1.138 11.365 2.078 18 HB ILE 2 HB ILE 2 -1.721 12.354 -0.690 19 HG12 ILE 2 2HG1 ILE 2 -1.940 13.939 1.879 20 HG13 ILE 2 1HG1 ILE 2 -0.970 14.327 0.458 21 HG21 ILE 2 1HG2 ILE 2 -3.258 10.753 0.320 22 HG22 ILE 2 2HG2 ILE 2 -4.040 12.331 0.229 23 HG23 ILE 2 3HG2 ILE 2 -3.395 11.754 1.767 24 HD11 ILE 2 3HD1 ILE 2 -3.653 13.912 -0.415 25 HD12 ILE 2 1HD1 ILE 2 -2.723 15.410 -0.444 26 HD13 ILE 2 2HD1 ILE 2 -3.702 15.007 0.967 27 H CYS 3 H CYS 3 -1.197 9.214 1.625 28 HA CYS 3 HA CYS 3 -0.063 8.389 -1.012 29 HB2 CYS 3 2HB CYS 3 0.230 7.068 1.691 30 HB3 CYS 3 1HB CYS 3 0.444 6.161 0.198 31 H TYR 4 H TYR 4 -0.985 5.968 -1.472 32 HA TYR 4 HA TYR 4 -3.906 6.351 -1.278 33 HB2 TYR 4 2HB TYR 4 -2.165 5.123 -3.167 34 HB3 TYR 4 1HB TYR 4 -3.206 3.858 -2.535 35 HD1 TYR 4 1HD TYR 4 -5.699 4.142 -2.654 36 HD2 TYR 4 2HD TYR 4 -2.975 6.834 -4.595 37 HE1 TYR 4 1HE TYR 4 -7.540 4.970 -4.090 38 HE2 TYR 4 2HE TYR 4 -4.815 7.666 -6.031 39 HH TYR 4 HH TYR 4 -7.427 6.223 -6.687 40 H ASN 5 H ASN 5 -5.247 5.000 -0.138 41 HA ASN 5 HA ASN 5 -3.955 3.041 1.691 42 HB2 ASN 5 2HB ASN 5 -4.940 4.687 3.056 43 HB3 ASN 5 1HB ASN 5 -6.310 4.902 1.974 44 HD21 ASN 5 1HD2 ASN 5 -5.033 1.775 3.138 45 HD22 ASN 5 2HD2 ASN 5 -6.427 1.348 4.001 46 H HIS 6 H HIS 6 -6.394 3.610 -0.727 47 HA HIS 6 HA HIS 6 -8.117 1.468 -0.336 48 HB2 HIS 6 2HB HIS 6 -8.969 2.291 -2.256 49 HB3 HIS 6 1HB HIS 6 -7.561 3.330 -2.394 50 HD1 HIS 6 1HD HIS 6 -6.452 3.069 -4.602 51 HD2 HIS 6 2HD HIS 6 -8.140 -0.521 -3.323 52 HE1 HIS 6 1HE HIS 6 -5.976 1.366 -6.416 53 H LEU 7 H LEU 7 -7.950 -0.691 -0.454 54 HA LEU 7 HA LEU 7 -5.332 -1.826 -1.307 55 HB2 LEU 7 2HB LEU 7 -5.959 -3.767 0.068 56 HB3 LEU 7 1HB LEU 7 -6.067 -2.284 1.014 57 HG LEU 7 HG LEU 7 -8.549 -2.926 -0.409 58 HD11 LEU 7 1HD1 LEU 7 -7.502 -4.797 1.736 59 HD12 LEU 7 2HD1 LEU 7 -7.844 -5.222 0.059 60 HD13 LEU 7 3HD1 LEU 7 -9.162 -4.774 1.141 61 HD21 LEU 7 3HD2 LEU 7 -8.842 -2.827 2.416 62 HD22 LEU 7 1HD2 LEU 7 -9.217 -1.557 1.251 63 HD23 LEU 7 2HD2 LEU 7 -7.616 -1.635 1.988 64 H GLY 8 H GLY 8 -5.348 -3.807 -2.565 65 HA2 GLY 8 2HA GLY 8 -6.008 -4.952 -4.510 66 HA3 GLY 8 1HA GLY 8 -7.503 -5.202 -3.610 67 H THR 9 H THR 9 -8.887 -4.954 -5.406 68 HA THR 9 HA THR 9 -8.821 -2.280 -6.742 69 HB THR 9 HB THR 9 -8.558 -4.236 -8.250 70 HG1 THR 9 1HG THR 9 -9.706 -3.177 -9.638 71 HG21 THR 9 3HG2 THR 9 -10.164 -5.588 -6.614 72 HG22 THR 9 1HG2 THR 9 -10.054 -5.994 -8.327 73 HG23 THR 9 2HG2 THR 9 -11.397 -5.014 -7.736 74 H LYS 10 H LYS 10 -10.268 -3.560 -4.192 75 HA LYS 10 HA LYS 10 -13.067 -3.383 -4.635 76 HB2 LYS 10 2HB LYS 10 -11.747 -2.496 -2.062 77 HB3 LYS 10 1HB LYS 10 -13.265 -3.362 -2.268 78 HG2 LYS 10 2HG LYS 10 -11.285 -4.955 -3.491 79 HG3 LYS 10 1HG LYS 10 -10.615 -4.434 -1.945 80 HD2 LYS 10 2HD LYS 10 -11.952 -5.871 -0.847 81 HD3 LYS 10 1HD LYS 10 -13.379 -5.138 -1.580 82 HE2 LYS 10 2HE LYS 10 -12.352 -6.588 -3.676 83 HE3 LYS 10 1HE LYS 10 -11.968 -7.620 -2.299 84 HZ1 LYS 10 3HZ LYS 10 -14.080 -8.299 -2.729 85 HZ2 LYS 10 1HZ LYS 10 -14.576 -6.797 -3.340 86 HZ3 LYS 10 2HZ LYS 10 -14.429 -7.023 -1.662 87 HA PRO 11 HA PRO 11 -13.760 1.030 -4.712 88 HB2 PRO 11 2HB PRO 11 -15.839 1.423 -2.986 89 HB3 PRO 11 1HB PRO 11 -15.986 0.540 -4.515 90 HG2 PRO 11 2HG PRO 11 -16.048 -0.519 -1.752 91 HG3 PRO 11 1HG PRO 11 -16.607 -1.277 -3.250 92 HD2 PRO 11 2HD PRO 11 -14.120 -1.750 -1.837 93 HD3 PRO 11 1HD PRO 11 -14.713 -2.548 -3.311 94 HA PRO 12 HA PRO 12 -12.442 2.429 -0.270 95 HB2 PRO 12 2HB PRO 12 -9.755 1.968 -0.118 96 HB3 PRO 12 1HB PRO 12 -10.980 0.878 0.541 97 HG2 PRO 12 2HG PRO 12 -9.330 0.542 -1.922 98 HG3 PRO 12 1HG PRO 12 -10.076 -0.684 -0.893 99 HD2 PRO 12 2HD PRO 12 -11.053 0.207 -3.378 100 HD3 PRO 12 1HD PRO 12 -11.946 -0.755 -2.187 101 H THR 13 H THR 13 -10.171 3.982 0.059 102 HA THR 13 HA THR 13 -9.869 5.501 -2.488 103 HB THR 13 HB THR 13 -11.768 6.457 -1.132 104 HG1 THR 13 1HG THR 13 -11.115 8.479 -1.570 105 HG21 THR 13 3HG2 THR 13 -9.497 6.916 0.814 106 HG22 THR 13 1HG2 THR 13 -10.984 6.013 1.101 107 HG23 THR 13 2HG2 THR 13 -11.039 7.765 0.906 108 H THR 14 H THR 14 -8.558 7.721 -1.324 109 HA THR 14 HA THR 14 -5.946 6.500 -0.748 110 HB THR 14 HB THR 14 -5.108 8.838 -0.927 111 HG1 THR 14 1HG THR 14 -6.921 9.944 -0.242 112 HG21 THR 14 3HG2 THR 14 -4.926 7.933 -3.000 113 HG22 THR 14 1HG2 THR 14 -6.213 9.076 -3.382 114 HG23 THR 14 2HG2 THR 14 -6.605 7.394 -3.028 115 H GLU 15 H GLU 15 -4.638 8.054 0.874 116 HA GLU 15 HA GLU 15 -6.231 8.856 3.210 117 HB2 GLU 15 2HB GLU 15 -5.363 7.305 4.770 118 HB3 GLU 15 1HB GLU 15 -5.769 6.314 3.371 119 HG2 GLU 15 2HG GLU 15 -3.609 5.569 3.888 120 HG3 GLU 15 1HG GLU 15 -3.292 6.785 2.648 121 H THR 16 H THR 16 -4.906 10.069 4.757 122 HA THR 16 HA THR 16 -2.462 11.155 3.435 123 HB THR 16 HB THR 16 -3.353 12.583 5.821 124 HG1 THR 16 1HG THR 16 -5.393 11.993 5.360 125 HG21 THR 16 3HG2 THR 16 -1.953 13.221 3.646 126 HG22 THR 16 1HG2 THR 16 -2.903 14.428 4.513 127 HG23 THR 16 2HG2 THR 16 -3.549 13.681 3.052 128 H CYS 17 H CYS 17 -0.494 10.932 4.396 129 HA CYS 17 HA CYS 17 -0.362 9.993 7.219 130 HB2 CYS 17 2HB CYS 17 0.471 8.534 4.780 131 HB3 CYS 17 1HB CYS 17 1.650 8.556 6.088 132 H GLN 18 H GLN 18 2.195 9.857 7.721 133 HA GLN 18 HA GLN 18 3.249 12.520 6.955 134 HB2 GLN 18 2HB GLN 18 3.291 11.873 9.341 135 HB3 GLN 18 1HB GLN 18 4.317 10.503 8.943 136 HG2 GLN 18 2HG GLN 18 5.628 12.506 9.701 137 HG3 GLN 18 1HG GLN 18 6.047 11.966 8.080 138 HE21 GLN 18 1HE2 GLN 18 5.101 13.206 6.231 139 HE22 GLN 18 2HE2 GLN 18 4.634 14.823 6.447 140 H GLU 19 H GLU 19 3.996 9.106 6.782 141 HA GLU 19 HA GLU 19 6.635 9.436 5.701 142 HB2 GLU 19 2HB GLU 19 5.391 7.072 4.599 143 HB3 GLU 19 1HB GLU 19 6.726 7.190 5.737 144 HG2 GLU 19 2HG GLU 19 3.781 7.313 6.464 145 HG3 GLU 19 1HG GLU 19 4.842 5.925 6.702 146 H ASP 20 H ASP 20 7.185 10.195 3.746 147 HA ASP 20 HA ASP 20 5.115 10.828 1.828 148 HB2 ASP 20 2HB ASP 20 7.540 10.969 0.420 149 HB3 ASP 20 1HB ASP 20 6.667 12.310 1.151 150 H SER 21 H SER 21 6.753 8.007 2.579 151 HA SER 21 HA SER 21 6.779 6.970 -0.146 152 HB2 SER 21 2HB SER 21 6.943 5.053 2.091 153 HB3 SER 21 1HB SER 21 8.005 5.242 0.704 154 HG SER 21 HG SER 21 8.577 7.320 1.885 155 H CYS 22 H CYS 22 5.419 4.943 -0.627 156 HA CYS 22 HA CYS 22 2.929 4.832 1.007 157 HB2 CYS 22 2HB CYS 22 2.797 4.725 -2.000 158 HB3 CYS 22 1HB CYS 22 1.506 5.059 -0.854 159 H TYR 23 H TYR 23 2.212 2.660 1.232 160 HA TYR 23 HA TYR 23 3.911 0.719 -0.258 161 HB2 TYR 23 2HB TYR 23 3.785 -0.810 1.533 162 HB3 TYR 23 1HB TYR 23 4.091 0.746 2.279 163 HD1 TYR 23 1HD TYR 23 1.225 -1.467 1.273 164 HD2 TYR 23 2HD TYR 23 2.744 1.431 4.058 165 HE1 TYR 23 1HE TYR 23 -0.796 -1.759 2.674 166 HE2 TYR 23 2HE TYR 23 0.717 1.145 5.456 167 HH TYR 23 HH TYR 23 -1.628 0.391 5.161 168 H LYS 24 H LYS 24 3.023 -0.640 -1.562 169 HA LYS 24 HA LYS 24 0.111 -1.219 -1.432 170 HB2 LYS 24 2HB LYS 24 0.047 -0.854 -3.918 171 HB3 LYS 24 1HB LYS 24 0.358 0.616 -3.001 172 HG2 LYS 24 2HG LYS 24 2.765 -0.934 -3.633 173 HG3 LYS 24 1HG LYS 24 1.925 -0.285 -5.021 174 HD2 LYS 24 2HD LYS 24 1.827 1.887 -3.448 175 HD3 LYS 24 1HD LYS 24 3.281 1.141 -2.792 176 HE2 LYS 24 2HE LYS 24 3.485 2.824 -4.799 177 HE3 LYS 24 1HE LYS 24 4.461 1.356 -4.791 178 HZ1 LYS 24 3HZ LYS 24 1.791 1.351 -6.035 179 HZ2 LYS 24 1HZ LYS 24 3.125 0.356 -6.361 180 HZ3 LYS 24 2HZ LYS 24 3.124 1.970 -6.888 181 H ASN 25 H ASN 25 1.043 -3.154 -0.571 182 HA ASN 25 HA ASN 25 2.365 -4.890 -2.605 183 HB2 ASN 25 2HB ASN 25 2.781 -6.183 -0.241 184 HB3 ASN 25 1HB ASN 25 3.879 -5.032 -0.962 185 HD21 ASN 25 1HD2 ASN 25 3.174 -2.593 -0.366 186 HD22 ASN 25 2HD2 ASN 25 2.823 -2.363 1.279 187 H ILE 26 H ILE 26 2.023 -7.299 -2.087 188 HA ILE 26 HA ILE 26 -0.859 -7.814 -2.247 189 HB ILE 26 HB ILE 26 -0.259 -9.917 -3.120 190 HG12 ILE 26 2HG1 ILE 26 1.302 -10.443 -1.145 191 HG13 ILE 26 1HG1 ILE 26 1.774 -11.086 -2.712 192 HG21 ILE 26 1HG2 ILE 26 1.430 -9.433 -4.790 193 HG22 ILE 26 2HG2 ILE 26 2.093 -8.135 -3.796 194 HG23 ILE 26 3HG2 ILE 26 0.487 -7.971 -4.505 195 HD11 ILE 26 3HD1 ILE 26 3.193 -8.959 -2.984 196 HD12 ILE 26 1HD1 ILE 26 3.760 -10.146 -1.813 197 HD13 ILE 26 2HD1 ILE 26 2.924 -8.697 -1.263 198 H TRP 27 H TRP 27 1.728 -8.275 0.073 199 HA TRP 27 HA TRP 27 0.661 -10.315 1.680 200 HB2 TRP 27 2HB TRP 27 2.094 -7.805 2.579 201 HB3 TRP 27 1HB TRP 27 1.920 -9.282 3.530 202 HD1 TRP 27 HD TRP 27 3.721 -7.881 0.472 203 HE1 TRP 27 1HE TRP 27 5.618 -9.501 -0.202 204 HE3 TRP 27 3HE TRP 27 2.706 -11.773 3.615 205 HZ2 TRP 27 2HZ TRP 27 6.559 -12.106 0.496 206 HZ3 TRP 27 3HZ TRP 27 4.113 -13.812 3.585 207 HH2 TRP 27 HH TRP 27 6.037 -13.983 2.031 208 H THR 28 H THR 28 -1.434 -10.393 2.326 209 HA THR 28 HA THR 28 -2.460 -8.254 4.041 210 HB THR 28 HB THR 28 -2.917 -7.620 1.582 211 HG1 THR 28 1HG THR 28 -5.369 -7.509 2.447 212 HG21 THR 28 3HG2 THR 28 -3.644 -10.063 1.104 213 HG22 THR 28 1HG2 THR 28 -4.611 -8.764 0.406 214 HG23 THR 28 2HG2 THR 28 -5.174 -9.604 1.851 215 H PHE 29 H PHE 29 -5.209 -9.086 3.880 216 HA PHE 29 HA PHE 29 -4.922 -11.848 4.989 217 HB2 PHE 29 2HB PHE 29 -6.504 -9.472 5.796 218 HB3 PHE 29 1HB PHE 29 -7.331 -11.024 5.926 219 HD1 PHE 29 2HD PHE 29 -3.694 -10.271 6.317 220 HD2 PHE 29 1HD PHE 29 -7.335 -11.486 8.245 221 HE1 PHE 29 2HE PHE 29 -2.428 -10.778 8.388 222 HE2 PHE 29 1HE PHE 29 -6.070 -11.991 10.316 223 HZ PHE 29 HZ PHE 29 -3.616 -11.637 10.389 224 H ASP 30 H ASP 30 -8.053 -10.466 4.289 225 HA ASP 30 HA ASP 30 -8.709 -12.716 2.573 226 HB2 ASP 30 2HB ASP 30 -10.869 -11.407 2.243 227 HB3 ASP 30 1HB ASP 30 -10.483 -11.817 3.915 228 H ASN 31 H ASN 31 -8.402 -9.198 2.009 229 HA ASN 31 HA ASN 31 -8.724 -9.386 -0.839 230 HB2 ASN 31 2HB ASN 31 -8.161 -7.328 1.112 231 HB3 ASN 31 1HB ASN 31 -7.083 -7.155 -0.272 232 HD21 ASN 31 1HD2 ASN 31 -8.642 -7.937 -2.417 233 HD22 ASN 31 2HD2 ASN 31 -10.015 -6.947 -2.551 234 H ILE 32 H ILE 32 -6.434 -8.003 -1.808 235 HA ILE 32 HA ILE 32 -4.242 -9.966 -1.292 236 HB ILE 32 HB ILE 32 -4.722 -8.856 -4.042 237 HG12 ILE 32 2HG1 ILE 32 -6.864 -9.843 -3.471 238 HG13 ILE 32 1HG1 ILE 32 -6.007 -10.980 -4.512 239 HG21 ILE 32 1HG2 ILE 32 -2.607 -10.044 -3.469 240 HG22 ILE 32 2HG2 ILE 32 -3.544 -10.898 -4.696 241 HG23 ILE 32 3HG2 ILE 32 -3.554 -11.466 -3.027 242 HD11 ILE 32 3HD1 ILE 32 -5.249 -11.488 -1.797 243 HD12 ILE 32 1HD1 ILE 32 -6.108 -12.552 -2.911 244 HD13 ILE 32 2HD1 ILE 32 -7.009 -11.434 -1.887 245 H ILE 33 H ILE 33 -4.709 -7.034 -3.312 246 HA ILE 33 HA ILE 33 -2.064 -6.073 -2.467 247 HB ILE 33 HB ILE 33 -3.926 -4.304 -3.973 248 HG12 ILE 33 2HG1 ILE 33 -4.414 -6.417 -5.007 249 HG13 ILE 33 1HG1 ILE 33 -3.338 -5.531 -6.082 250 HG21 ILE 33 1HG2 ILE 33 -1.027 -5.071 -4.395 251 HG22 ILE 33 2HG2 ILE 33 -1.565 -3.711 -3.408 252 HG23 ILE 33 3HG2 ILE 33 -1.883 -3.721 -5.142 253 HD11 ILE 33 3HD1 ILE 33 -1.904 -7.175 -4.118 254 HD12 ILE 33 1HD1 ILE 33 -1.681 -7.061 -5.864 255 HD13 ILE 33 2HD1 ILE 33 -2.925 -8.121 -5.202 256 H ARG 34 H ARG 34 -1.726 -4.122 -1.298 257 HA ARG 34 HA ARG 34 -4.134 -2.813 -0.197 258 HB2 ARG 34 2HB ARG 34 -3.517 -4.618 1.427 259 HB3 ARG 34 1HB ARG 34 -1.965 -3.803 1.657 260 HG2 ARG 34 2HG ARG 34 -2.908 -2.010 2.737 261 HG3 ARG 34 1HG ARG 34 -4.414 -2.132 1.847 262 HD2 ARG 34 2HD ARG 34 -4.420 -2.782 4.368 263 HD3 ARG 34 1HD ARG 34 -5.251 -3.837 3.226 264 HE ARG 34 HE ARG 34 -2.570 -4.748 3.455 265 HH11 ARG 34 1HH2 ARG 34 -5.439 -5.985 4.053 266 HH12 ARG 34 2HH2 ARG 34 -5.125 -6.635 5.627 267 HH21 ARG 34 1HH1 ARG 34 -2.156 -4.892 6.044 268 HH22 ARG 34 2HH1 ARG 34 -3.266 -6.017 6.754 269 H ARG 35 H ARG 35 -3.832 -0.747 -0.554 270 HA ARG 35 HA ARG 35 -1.124 0.383 -0.804 271 HB2 ARG 35 2HB ARG 35 -3.767 1.809 -1.131 272 HB3 ARG 35 1HB ARG 35 -2.188 2.335 -1.709 273 HG2 ARG 35 2HG ARG 35 -2.077 0.600 -3.327 274 HG3 ARG 35 1HG ARG 35 -3.408 -0.285 -2.583 275 HD2 ARG 35 2HD ARG 35 -4.919 0.852 -3.801 276 HD3 ARG 35 1HD ARG 35 -4.250 2.395 -3.273 277 HE ARG 35 HE ARG 35 -3.024 2.503 -5.298 278 HH11 ARG 35 1HH1 ARG 35 -2.491 -0.626 -4.688 279 HH12 ARG 35 2HH1 ARG 35 -2.882 -1.247 -6.257 280 HH21 ARG 35 1HH2 ARG 35 -4.327 1.708 -7.357 281 HH22 ARG 35 2HH2 ARG 35 -3.923 0.075 -7.769 282 H GLY 36 H GLY 36 -0.268 1.931 0.579 283 HA2 GLY 36 2HA GLY 36 -1.870 2.997 2.793 284 HA3 GLY 36 1HA GLY 36 -0.609 1.869 3.269 285 H CYS 37 H CYS 37 0.485 3.589 4.373 286 HA CYS 37 HA CYS 37 1.905 5.464 2.524 287 HB2 CYS 37 2HB CYS 37 2.019 6.903 4.726 288 HB3 CYS 37 1HB CYS 37 0.563 6.935 3.734 289 H GLY 38 H GLY 38 4.038 4.885 2.459 290 HA2 GLY 38 2HA GLY 38 6.162 4.836 3.725 291 HA3 GLY 38 1HA GLY 38 5.298 3.982 5.003 292 H CYS 39 H CYS 39 6.989 2.306 4.669 293 HA CYS 39 HA CYS 39 6.479 0.674 2.228 294 HB2 CYS 39 2HB CYS 39 8.801 0.548 4.179 295 HB3 CYS 39 1HB CYS 39 8.619 -0.444 2.732 296 H PHE 40 H PHE 40 6.701 -1.736 2.672 297 HA PHE 40 HA PHE 40 4.635 -2.528 4.494 298 HB2 PHE 40 2HB PHE 40 5.927 -4.876 4.019 299 HB3 PHE 40 1HB PHE 40 4.783 -4.157 2.890 300 HD1 PHE 40 2HD PHE 40 8.358 -4.626 3.680 301 HD2 PHE 40 1HD PHE 40 5.508 -3.083 0.874 302 HE1 PHE 40 2HE PHE 40 10.173 -4.310 2.008 303 HE2 PHE 40 1HE PHE 40 7.312 -2.759 -0.796 304 HZ PHE 40 HZ PHE 40 9.653 -3.373 -0.229 305 H THR 41 H THR 41 5.243 -4.500 6.050 306 HA THR 41 HA THR 41 7.066 -3.303 8.015 307 HB THR 41 HB THR 41 5.561 -5.848 8.503 308 HG1 THR 41 1HG THR 41 4.069 -4.419 7.602 309 HG21 THR 41 3HG2 THR 41 7.156 -4.964 10.180 310 HG22 THR 41 1HG2 THR 41 5.495 -4.953 10.772 311 HG23 THR 41 2HG2 THR 41 6.244 -3.454 10.221 312 HA PRO 42 HA PRO 42 9.254 -7.458 7.603 313 HB2 PRO 42 2HB PRO 42 8.395 -9.240 5.693 314 HB3 PRO 42 1HB PRO 42 7.747 -9.182 7.342 315 HG2 PRO 42 2HG PRO 42 6.458 -8.351 4.813 316 HG3 PRO 42 1HG PRO 42 5.716 -8.711 6.381 317 HD2 PRO 42 2HD PRO 42 6.296 -6.131 5.247 318 HD3 PRO 42 1HD PRO 42 5.548 -6.462 6.820 319 H ARG 43 H ARG 43 9.761 -5.118 6.104 320 HA ARG 43 HA ARG 43 10.395 -5.485 3.382 321 HB2 ARG 43 2HB ARG 43 10.735 -3.295 3.929 322 HB3 ARG 43 1HB ARG 43 11.300 -3.668 5.550 323 HG2 ARG 43 2HG ARG 43 13.161 -2.734 4.334 324 HG3 ARG 43 1HG ARG 43 13.471 -4.461 4.493 325 HD2 ARG 43 2HD ARG 43 12.465 -4.785 2.210 326 HD3 ARG 43 1HD ARG 43 12.366 -3.030 2.061 327 HE ARG 43 HE ARG 43 14.653 -4.411 1.389 328 HH11 ARG 43 1HH1 ARG 43 15.533 -4.106 4.227 329 HH12 ARG 43 2HH1 ARG 43 16.354 -2.581 4.198 330 HH21 ARG 43 1HH2 ARG 43 14.967 -1.592 1.178 331 HH22 ARG 43 2HH2 ARG 43 16.033 -1.159 2.471 332 H GLY 44 H GLY 44 11.995 -6.592 2.335 333 HA2 GLY 44 2HA GLY 44 14.553 -7.183 3.290 334 HA3 GLY 44 1HA GLY 44 13.526 -8.527 3.785 335 H ASP 45 H ASP 45 15.195 -9.571 2.203 336 HA ASP 45 HA ASP 45 14.461 -9.169 -0.635 337 HB2 ASP 45 2HB ASP 45 16.530 -11.013 0.595 338 HB3 ASP 45 1HB ASP 45 16.354 -10.639 -1.121 339 H MET 46 H MET 46 13.189 -10.919 1.859 340 HA MET 46 HA MET 46 12.826 -13.439 0.408 341 HB2 MET 46 2HB MET 46 12.521 -12.581 3.115 342 HB3 MET 46 1HB MET 46 10.980 -13.246 2.569 343 HG2 MET 46 2HG MET 46 13.387 -14.782 1.775 344 HG3 MET 46 1HG MET 46 13.020 -14.780 3.499 345 HE1 MET 46 3HE MET 46 10.901 -14.964 4.427 346 HE2 MET 46 1HE MET 46 11.083 -16.723 4.449 347 HE3 MET 46 2HE MET 46 9.574 -15.997 3.901 348 HA PRO 47 HA PRO 47 8.433 -11.775 -0.126 349 HB2 PRO 47 2HB PRO 47 7.746 -9.413 1.087 350 HB3 PRO 47 1HB PRO 47 7.647 -10.979 1.901 351 HG2 PRO 47 2HG PRO 47 9.589 -8.784 2.330 352 HG3 PRO 47 1HG PRO 47 9.139 -10.111 3.413 353 HD2 PRO 47 2HD PRO 47 11.473 -9.928 1.758 354 HD3 PRO 47 1HD PRO 47 10.991 -11.291 2.785 355 H GLY 48 H GLY 48 7.450 -10.110 -1.620 356 HA2 GLY 48 2HA GLY 48 9.424 -8.129 -2.592 357 HA3 GLY 48 1HA GLY 48 8.645 -9.211 -3.739 358 HA PRO 49 HA PRO 49 5.080 -6.504 -2.199 359 HB2 PRO 49 2HB PRO 49 5.478 -4.909 -0.015 360 HB3 PRO 49 1HB PRO 49 4.957 -6.586 0.100 361 HG2 PRO 49 2HG PRO 49 7.621 -5.429 0.714 362 HG3 PRO 49 1HG PRO 49 6.866 -6.894 1.346 363 HD2 PRO 49 2HD PRO 49 8.851 -6.779 -0.678 364 HD3 PRO 49 1HD PRO 49 7.877 -8.180 -0.220 365 H TYR 50 H TYR 50 4.808 -3.763 -1.693 366 HA TYR 50 HA TYR 50 6.988 -2.543 -3.318 367 HB2 TYR 50 2HB TYR 50 4.033 -2.520 -3.775 368 HB3 TYR 50 1HB TYR 50 4.981 -1.113 -4.255 369 HD1 TYR 50 2HD TYR 50 7.292 -1.758 -5.489 370 HD2 TYR 50 1HD TYR 50 3.762 -4.202 -5.353 371 HE1 TYR 50 2HE TYR 50 8.046 -2.961 -7.522 372 HE2 TYR 50 1HE TYR 50 4.515 -5.404 -7.386 373 HH TYR 50 HH TYR 50 6.402 -4.462 -9.481 374 H CYS 51 H CYS 51 7.275 -0.324 -3.105 375 HA CYS 51 HA CYS 51 5.881 1.246 -1.000 376 HB2 CYS 51 2HB CYS 51 7.993 -0.010 -0.022 377 HB3 CYS 51 1HB CYS 51 8.886 1.157 -0.990 378 H CYS 52 H CYS 52 5.803 3.315 -1.763 379 HA CYS 52 HA CYS 52 7.665 4.045 -3.986 380 HB2 CYS 52 2HB CYS 52 5.480 3.509 -4.951 381 HB3 CYS 52 1HB CYS 52 4.697 4.648 -3.865 382 H GLU 53 H GLU 53 7.879 6.398 -4.230 383 HA GLU 53 HA GLU 53 7.423 7.775 -1.618 384 HB2 GLU 53 2HB GLU 53 9.646 8.511 -3.502 385 HB3 GLU 53 1HB GLU 53 9.505 8.823 -1.769 386 HG2 GLU 53 2HG GLU 53 9.808 6.487 -1.250 387 HG3 GLU 53 1HG GLU 53 9.741 6.049 -2.958 388 H SER 54 H SER 54 5.400 7.946 -3.342 389 HA SER 54 HA SER 54 5.509 10.788 -4.177 390 HB2 SER 54 2HB SER 54 3.975 9.183 -6.069 391 HB3 SER 54 1HB SER 54 5.224 10.383 -6.387 392 HG SER 54 HG SER 54 6.547 8.799 -6.717 393 H ASP 55 H ASP 55 3.347 11.750 -4.116 394 HA ASP 55 HA ASP 55 1.651 10.491 -2.154 395 HB2 ASP 55 2HB ASP 55 0.724 12.691 -3.987 396 HB3 ASP 55 1HB ASP 55 0.258 12.379 -2.321 397 H LYS 56 H LYS 56 -0.384 9.524 -2.457 398 HA LYS 56 HA LYS 56 -1.755 7.954 -3.570 399 HB2 LYS 56 2HB LYS 56 -1.733 10.003 -5.798 400 HB3 LYS 56 1HB LYS 56 -3.049 8.930 -5.317 401 HG2 LYS 56 2HG LYS 56 -2.120 10.633 -3.121 402 HG3 LYS 56 1HG LYS 56 -2.738 11.557 -4.490 403 HD2 LYS 56 2HD LYS 56 -4.555 9.453 -4.205 404 HD3 LYS 56 1HD LYS 56 -4.194 9.947 -2.550 405 HE2 LYS 56 2HE LYS 56 -5.743 11.567 -2.913 406 HE3 LYS 56 1HE LYS 56 -4.456 12.373 -3.809 407 HZ1 LYS 56 3HZ LYS 56 -6.019 10.352 -5.221 408 HZ2 LYS 56 1HZ LYS 56 -5.347 11.799 -5.796 409 HZ3 LYS 56 2HZ LYS 56 -6.785 11.832 -4.892 410 H CYS 57 H CYS 57 1.082 7.599 -3.957 411 HA CYS 57 HA CYS 57 1.554 7.033 -6.782 412 HB2 CYS 57 2HB CYS 57 3.334 7.706 -5.110 413 HB3 CYS 57 1HB CYS 57 3.167 6.105 -4.393 414 H ASN 58 H ASN 58 0.226 5.290 -4.086 415 HA ASN 58 HA ASN 58 0.846 2.630 -4.810 416 HB2 ASN 58 2HB ASN 58 -1.891 3.283 -3.800 417 HB3 ASN 58 1HB ASN 58 -0.803 1.992 -3.310 418 HD21 ASN 58 1HD2 ASN 58 -0.198 2.350 -1.194 419 HD22 ASN 58 2HD2 ASN 58 0.151 3.852 -0.498 420 H LEU 59 H LEU 59 -1.043 4.950 -6.454 421 HA LEU 59 HA LEU 59 -2.796 3.029 -7.769 422 HB2 LEU 59 2HB LEU 59 -2.824 5.784 -7.419 423 HB3 LEU 59 1HB LEU 59 -2.439 5.599 -9.131 424 HG LEU 59 HG LEU 59 -4.880 5.681 -8.784 425 HD11 LEU 59 1HD1 LEU 59 -5.053 2.997 -9.525 426 HD12 LEU 59 2HD1 LEU 59 -3.417 3.463 -9.991 427 HD13 LEU 59 3HD1 LEU 59 -4.802 4.360 -10.616 428 HD21 LEU 59 3HD2 LEU 59 -5.495 3.211 -7.656 429 HD22 LEU 59 1HD2 LEU 59 -5.634 4.774 -6.851 430 HD23 LEU 59 2HD2 LEU 59 -4.173 3.806 -6.652 Start of MODEL 15 1 H1 ARG 1 1HT ARG 1 2.795 13.877 4.604 2 H2 ARG 1 2HT ARG 1 1.872 12.463 4.793 3 H3 ARG 1 3HT ARG 1 1.102 13.971 4.647 4 HA ARG 1 HA ARG 1 1.914 14.201 2.395 5 HB2 ARG 1 2HB ARG 1 3.818 12.399 3.182 6 HB3 ARG 1 1HB ARG 1 2.741 11.374 2.231 7 HG2 ARG 1 2HG ARG 1 3.009 13.785 0.783 8 HG3 ARG 1 1HG ARG 1 4.634 13.343 1.308 9 HD2 ARG 1 2HD ARG 1 3.692 10.915 0.523 10 HD3 ARG 1 1HD ARG 1 2.824 11.964 -0.591 11 HE ARG 1 HE ARG 1 5.270 11.255 -1.274 12 HH11 ARG 1 1HH2 ARG 1 3.897 14.284 -0.783 13 HH12 ARG 1 2HH2 ARG 1 5.382 15.165 -0.890 14 HH21 ARG 1 1HH1 ARG 1 7.376 12.332 -0.932 15 HH22 ARG 1 2HH1 ARG 1 7.349 14.062 -0.977 16 H ILE 2 H ILE 2 1.072 12.460 0.534 17 HA ILE 2 HA ILE 2 -1.405 11.185 1.632 18 HB ILE 2 HB ILE 2 -1.269 12.752 -0.953 19 HG12 ILE 2 2HG1 ILE 2 -3.011 13.848 1.055 20 HG13 ILE 2 1HG1 ILE 2 -1.390 13.636 1.720 21 HG21 ILE 2 1HG2 ILE 2 -3.660 11.714 0.602 22 HG22 ILE 2 2HG2 ILE 2 -2.926 10.839 -0.741 23 HG23 ILE 2 3HG2 ILE 2 -3.661 12.418 -1.016 24 HD11 ILE 2 3HD1 ILE 2 -1.454 15.823 0.704 25 HD12 ILE 2 1HD1 ILE 2 -2.150 15.166 -0.778 26 HD13 ILE 2 2HD1 ILE 2 -0.485 14.783 -0.340 27 H CYS 3 H CYS 3 -1.211 9.042 1.183 28 HA CYS 3 HA CYS 3 -0.018 8.401 -1.459 29 HB2 CYS 3 2HB CYS 3 -0.076 6.731 1.065 30 HB3 CYS 3 1HB CYS 3 0.490 6.136 -0.494 31 H TYR 4 H TYR 4 -0.932 5.728 -1.667 32 HA TYR 4 HA TYR 4 -3.815 6.311 -2.045 33 HB2 TYR 4 2HB TYR 4 -1.850 4.661 -3.506 34 HB3 TYR 4 1HB TYR 4 -3.450 3.947 -3.348 35 HD1 TYR 4 2HD TYR 4 -5.483 5.523 -3.896 36 HD2 TYR 4 1HD TYR 4 -1.445 6.238 -5.174 37 HE1 TYR 4 2HE TYR 4 -6.312 7.012 -5.698 38 HE2 TYR 4 1HE TYR 4 -2.273 7.723 -6.975 39 HH TYR 4 HH TYR 4 -5.728 8.496 -7.274 40 H ASN 5 H ASN 5 -5.405 4.993 -1.154 41 HA ASN 5 HA ASN 5 -4.444 2.947 0.804 42 HB2 ASN 5 2HB ASN 5 -5.560 4.822 1.899 43 HB3 ASN 5 1HB ASN 5 -6.944 4.664 0.819 44 HD21 ASN 5 1HD2 ASN 5 -5.285 1.812 2.088 45 HD22 ASN 5 2HD2 ASN 5 -6.543 1.320 3.114 46 H HIS 6 H HIS 6 -5.535 2.958 -2.212 47 HA HIS 6 HA HIS 6 -7.933 1.429 -2.177 48 HB2 HIS 6 2HB HIS 6 -7.519 2.183 -4.282 49 HB3 HIS 6 1HB HIS 6 -5.784 1.940 -4.169 50 HD1 HIS 6 1HD HIS 6 -5.482 0.496 -6.252 51 HD2 HIS 6 2HD HIS 6 -8.425 -0.983 -3.701 52 HE1 HIS 6 1HE HIS 6 -6.105 -1.795 -7.132 53 H LEU 7 H LEU 7 -8.348 -0.628 -1.809 54 HA LEU 7 HA LEU 7 -6.068 -2.432 -1.122 55 HB2 LEU 7 2HB LEU 7 -8.953 -2.350 -0.231 56 HB3 LEU 7 1HB LEU 7 -7.933 -3.764 0.039 57 HG LEU 7 HG LEU 7 -6.373 -1.568 0.839 58 HD11 LEU 7 1HD1 LEU 7 -7.685 -0.144 2.098 59 HD12 LEU 7 2HD1 LEU 7 -8.936 -1.359 2.365 60 HD13 LEU 7 3HD1 LEU 7 -8.831 -0.526 0.813 61 HD21 LEU 7 3HD2 LEU 7 -7.977 -3.653 2.340 62 HD22 LEU 7 1HD2 LEU 7 -6.853 -2.557 3.144 63 HD23 LEU 7 2HD2 LEU 7 -6.261 -3.698 1.935 64 H GLY 8 H GLY 8 -5.635 -4.060 -2.498 65 HA2 GLY 8 2HA GLY 8 -6.054 -4.915 -4.817 66 HA3 GLY 8 1HA GLY 8 -6.551 -6.105 -3.625 67 H THR 9 H THR 9 -8.813 -6.417 -3.246 68 HA THR 9 HA THR 9 -10.479 -5.671 -5.567 69 HB THR 9 HB THR 9 -11.978 -7.180 -3.691 70 HG1 THR 9 1HG THR 9 -10.562 -8.387 -2.758 71 HG21 THR 9 3HG2 THR 9 -10.668 -7.608 -6.348 72 HG22 THR 9 1HG2 THR 9 -12.379 -7.653 -5.923 73 HG23 THR 9 2HG2 THR 9 -11.329 -9.006 -5.502 74 H LYS 10 H LYS 10 -10.309 -5.026 -2.100 75 HA LYS 10 HA LYS 10 -12.842 -3.956 -1.594 76 HB2 LYS 10 2HB LYS 10 -10.216 -3.802 -0.431 77 HB3 LYS 10 1HB LYS 10 -10.954 -2.204 -0.387 78 HG2 LYS 10 2HG LYS 10 -11.471 -3.677 1.619 79 HG3 LYS 10 1HG LYS 10 -12.890 -3.048 0.783 80 HD2 LYS 10 2HD LYS 10 -12.169 -5.482 -0.503 81 HD3 LYS 10 1HD LYS 10 -12.167 -5.784 1.235 82 HE2 LYS 10 2HE LYS 10 -14.433 -4.214 0.835 83 HE3 LYS 10 1HE LYS 10 -14.421 -5.300 -0.554 84 HZ1 LYS 10 3HZ LYS 10 -14.865 -5.882 2.231 85 HZ2 LYS 10 1HZ LYS 10 -13.773 -6.941 1.481 86 HZ3 LYS 10 2HZ LYS 10 -15.339 -6.750 0.850 87 HA PRO 11 HA PRO 11 -13.178 -0.200 -3.833 88 HB2 PRO 11 2HB PRO 11 -13.744 1.747 -1.963 89 HB3 PRO 11 1HB PRO 11 -14.909 0.530 -2.511 90 HG2 PRO 11 2HG PRO 11 -13.404 0.666 0.062 91 HG3 PRO 11 1HG PRO 11 -14.974 -0.078 -0.283 92 HD2 PRO 11 2HD PRO 11 -12.540 -1.454 -0.005 93 HD3 PRO 11 1HD PRO 11 -14.018 -2.120 -0.727 94 HA PRO 12 HA PRO 12 -9.106 1.541 -3.667 95 HB2 PRO 12 2HB PRO 12 -9.321 3.026 -5.971 96 HB3 PRO 12 1HB PRO 12 -9.042 1.276 -5.951 97 HG2 PRO 12 2HG PRO 12 -11.540 2.771 -6.598 98 HG3 PRO 12 1HG PRO 12 -11.018 1.168 -7.143 99 HD2 PRO 12 2HD PRO 12 -12.914 1.692 -5.109 100 HD3 PRO 12 1HD PRO 12 -12.143 0.126 -5.439 101 H THR 13 H THR 13 -8.640 3.154 -2.247 102 HA THR 13 HA THR 13 -9.738 5.864 -2.767 103 HB THR 13 HB THR 13 -11.175 5.600 -1.020 104 HG1 THR 13 1HG THR 13 -10.276 6.321 0.824 105 HG21 THR 13 3HG2 THR 13 -9.382 3.392 0.032 106 HG22 THR 13 1HG2 THR 13 -10.833 3.160 -0.943 107 HG23 THR 13 2HG2 THR 13 -10.963 3.823 0.686 108 H THR 14 H THR 14 -8.260 7.510 -2.156 109 HA THR 14 HA THR 14 -5.526 6.669 -1.984 110 HB THR 14 HB THR 14 -5.061 9.120 -1.575 111 HG1 THR 14 1HG THR 14 -6.736 10.108 -0.782 112 HG21 THR 14 3HG2 THR 14 -6.741 8.166 -3.892 113 HG22 THR 14 1HG2 THR 14 -4.994 8.396 -3.827 114 HG23 THR 14 2HG2 THR 14 -6.067 9.795 -3.843 115 H GLU 15 H GLU 15 -4.230 8.106 -0.139 116 HA GLU 15 HA GLU 15 -5.510 7.694 2.500 117 HB2 GLU 15 2HB GLU 15 -3.979 5.668 1.474 118 HB3 GLU 15 1HB GLU 15 -2.763 6.612 2.333 119 HG2 GLU 15 2HG GLU 15 -5.321 6.134 3.774 120 HG3 GLU 15 1HG GLU 15 -4.269 4.736 3.553 121 H THR 16 H THR 16 -4.600 9.042 4.097 122 HA THR 16 HA THR 16 -2.373 10.798 3.151 123 HB THR 16 HB THR 16 -3.862 12.158 5.150 124 HG1 THR 16 1HG THR 16 -5.680 11.045 4.772 125 HG21 THR 16 3HG2 THR 16 -2.585 12.780 2.867 126 HG22 THR 16 1HG2 THR 16 -3.760 13.860 3.618 127 HG23 THR 16 2HG2 THR 16 -4.245 12.823 2.277 128 H CYS 17 H CYS 17 -0.611 10.686 4.433 129 HA CYS 17 HA CYS 17 -0.960 10.055 7.324 130 HB2 CYS 17 2HB CYS 17 0.490 8.219 7.291 131 HB3 CYS 17 1HB CYS 17 -0.374 8.006 5.769 132 H GLN 18 H GLN 18 1.728 9.851 7.950 133 HA GLN 18 HA GLN 18 2.685 12.613 7.405 134 HB2 GLN 18 2HB GLN 18 2.623 11.885 9.769 135 HB3 GLN 18 1HB GLN 18 3.713 10.561 9.379 136 HG2 GLN 18 2HG GLN 18 4.907 12.591 10.271 137 HG3 GLN 18 1HG GLN 18 5.444 12.094 8.673 138 HE21 GLN 18 1HE2 GLN 18 4.588 13.349 6.786 139 HE22 GLN 18 2HE2 GLN 18 4.050 14.943 6.997 140 H GLU 19 H GLU 19 3.547 9.225 7.167 141 HA GLU 19 HA GLU 19 6.231 9.627 6.270 142 HB2 GLU 19 2HB GLU 19 4.994 7.277 5.049 143 HB3 GLU 19 1HB GLU 19 6.354 7.371 6.159 144 HG2 GLU 19 2HG GLU 19 4.586 7.814 7.993 145 HG3 GLU 19 1HG GLU 19 3.417 7.212 6.817 146 H ASP 20 H ASP 20 6.909 10.464 4.424 147 HA ASP 20 HA ASP 20 5.045 11.174 2.313 148 HB2 ASP 20 2HB ASP 20 7.780 11.251 1.379 149 HB3 ASP 20 1HB ASP 20 6.673 12.590 1.658 150 H SER 21 H SER 21 6.589 8.326 3.159 151 HA SER 21 HA SER 21 6.990 7.355 0.435 152 HB2 SER 21 2HB SER 21 6.936 5.160 2.183 153 HB3 SER 21 1HB SER 21 8.374 5.996 1.607 154 HG SER 21 HG SER 21 8.534 7.013 3.466 155 H CYS 22 H CYS 22 5.786 5.133 -0.035 156 HA CYS 22 HA CYS 22 3.026 5.142 1.067 157 HB2 CYS 22 2HB CYS 22 3.598 4.945 -1.904 158 HB3 CYS 22 1HB CYS 22 2.020 5.028 -1.124 159 H TYR 23 H TYR 23 2.656 3.048 1.727 160 HA TYR 23 HA TYR 23 4.423 0.988 0.522 161 HB2 TYR 23 2HB TYR 23 4.125 -0.348 2.439 162 HB3 TYR 23 1HB TYR 23 4.321 1.280 3.050 163 HD1 TYR 23 1HD TYR 23 1.597 -1.032 1.919 164 HD2 TYR 23 2HD TYR 23 2.801 2.038 4.657 165 HE1 TYR 23 1HE TYR 23 -0.548 -1.282 3.116 166 HE2 TYR 23 2HE TYR 23 0.644 1.802 5.856 167 HH TYR 23 HH TYR 23 -1.100 -0.157 6.140 168 H LYS 24 H LYS 24 3.684 -0.628 -0.645 169 HA LYS 24 HA LYS 24 0.782 -1.180 -0.638 170 HB2 LYS 24 2HB LYS 24 0.880 0.275 -2.497 171 HB3 LYS 24 1HB LYS 24 2.397 -0.411 -3.057 172 HG2 LYS 24 2HG LYS 24 1.274 -2.543 -3.538 173 HG3 LYS 24 1HG LYS 24 -0.252 -1.863 -2.966 174 HD2 LYS 24 2HD LYS 24 -0.028 -1.776 -5.442 175 HD3 LYS 24 1HD LYS 24 -0.209 -0.184 -4.712 176 HE2 LYS 24 2HE LYS 24 2.035 0.379 -5.047 177 HE3 LYS 24 1HE LYS 24 2.537 -1.307 -5.182 178 HZ1 LYS 24 3HZ LYS 24 2.517 -0.792 -7.366 179 HZ2 LYS 24 1HZ LYS 24 1.381 0.454 -7.192 180 HZ3 LYS 24 2HZ LYS 24 0.866 -1.164 -7.223 181 H ASN 25 H ASN 25 0.849 -3.184 0.085 182 HA ASN 25 HA ASN 25 2.697 -5.083 -1.295 183 HB2 ASN 25 2HB ASN 25 2.627 -6.260 1.039 184 HB3 ASN 25 1HB ASN 25 3.676 -4.870 0.818 185 HD21 ASN 25 1HD2 ASN 25 2.489 -2.676 1.298 186 HD22 ASN 25 2HD2 ASN 25 1.535 -2.675 2.699 187 H ILE 26 H ILE 26 1.971 -7.439 -0.804 188 HA ILE 26 HA ILE 26 -0.939 -7.571 -1.381 189 HB ILE 26 HB ILE 26 -0.532 -9.552 -2.552 190 HG12 ILE 26 2HG1 ILE 26 0.659 -10.682 -0.650 191 HG13 ILE 26 1HG1 ILE 26 1.384 -11.010 -2.222 192 HG21 ILE 26 1HG2 ILE 26 0.864 -8.779 -4.162 193 HG22 ILE 26 2HG2 ILE 26 2.223 -8.641 -3.045 194 HG23 ILE 26 3HG2 ILE 26 1.015 -7.358 -3.128 195 HD11 ILE 26 3HD1 ILE 26 2.368 -9.115 -0.084 196 HD12 ILE 26 1HD1 ILE 26 2.951 -9.041 -1.747 197 HD13 ILE 26 2HD1 ILE 26 3.212 -10.497 -0.785 198 H TRP 27 H TRP 27 1.274 -8.180 1.150 199 HA TRP 27 HA TRP 27 0.232 -10.463 2.420 200 HB2 TRP 27 2HB TRP 27 0.979 -7.961 3.929 201 HB3 TRP 27 1HB TRP 27 1.161 -9.636 4.446 202 HD1 TRP 27 HD TRP 27 2.400 -10.601 1.565 203 HE1 TRP 27 1HE TRP 27 4.879 -10.039 1.099 204 HE3 TRP 27 3HE TRP 27 3.073 -6.801 4.898 205 HZ2 TRP 27 2HZ TRP 27 6.875 -8.214 2.035 206 HZ3 TRP 27 3HZ TRP 27 5.266 -5.671 5.093 207 HH2 TRP 27 HH TRP 27 7.168 -6.373 3.665 208 H THR 28 H THR 28 -2.045 -10.615 2.246 209 HA THR 28 HA THR 28 -3.509 -9.100 4.262 210 HB THR 28 HB THR 28 -3.476 -8.169 1.546 211 HG1 THR 28 1HG THR 28 -3.852 -6.505 2.722 212 HG21 THR 28 3HG2 THR 28 -6.173 -9.156 2.522 213 HG22 THR 28 1HG2 THR 28 -5.340 -9.636 1.044 214 HG23 THR 28 2HG2 THR 28 -5.961 -7.994 1.213 215 H PHE 29 H PHE 29 -5.050 -10.421 5.106 216 HA PHE 29 HA PHE 29 -5.412 -13.074 3.924 217 HB2 PHE 29 2HB PHE 29 -5.256 -12.496 6.435 218 HB3 PHE 29 1HB PHE 29 -6.932 -11.969 6.286 219 HD1 PHE 29 2HD PHE 29 -8.720 -13.567 5.775 220 HD2 PHE 29 1HD PHE 29 -4.644 -14.846 6.212 221 HE1 PHE 29 2HE PHE 29 -9.479 -15.922 5.947 222 HE2 PHE 29 1HE PHE 29 -5.403 -17.202 6.385 223 HZ PHE 29 HZ PHE 29 -7.820 -17.739 6.253 224 H ASP 30 H ASP 30 -7.196 -10.071 4.043 225 HA ASP 30 HA ASP 30 -9.673 -11.375 3.108 226 HB2 ASP 30 2HB ASP 30 -8.941 -8.501 3.715 227 HB3 ASP 30 1HB ASP 30 -10.502 -8.969 3.040 228 H ASN 31 H ASN 31 -8.464 -8.324 1.833 229 HA ASN 31 HA ASN 31 -9.102 -9.096 -0.878 230 HB2 ASN 31 2HB ASN 31 -7.329 -6.785 -0.065 231 HB3 ASN 31 1HB ASN 31 -8.378 -6.907 -1.478 232 HD21 ASN 31 1HD2 ASN 31 -8.229 -5.704 1.702 233 HD22 ASN 31 2HD2 ASN 31 -9.891 -5.451 1.943 234 H ILE 32 H ILE 32 -6.487 -7.658 -1.785 235 HA ILE 32 HA ILE 32 -4.612 -9.938 -1.387 236 HB ILE 32 HB ILE 32 -4.915 -8.667 -4.096 237 HG12 ILE 32 2HG1 ILE 32 -7.163 -9.507 -3.276 238 HG13 ILE 32 1HG1 ILE 32 -6.564 -10.307 -4.729 239 HG21 ILE 32 1HG2 ILE 32 -4.192 -11.076 -4.680 240 HG22 ILE 32 2HG2 ILE 32 -3.853 -11.255 -2.959 241 HG23 ILE 32 3HG2 ILE 32 -2.992 -10.042 -3.907 242 HD11 ILE 32 3HD1 ILE 32 -7.382 -11.582 -2.399 243 HD12 ILE 32 1HD1 ILE 32 -5.622 -11.599 -2.279 244 HD13 ILE 32 2HD1 ILE 32 -6.418 -12.308 -3.685 245 H ILE 33 H ILE 33 -4.644 -6.928 -3.338 246 HA ILE 33 HA ILE 33 -1.963 -6.268 -2.264 247 HB ILE 33 HB ILE 33 -3.345 -4.318 -4.010 248 HG12 ILE 33 2HG1 ILE 33 -4.222 -6.290 -5.034 249 HG13 ILE 33 1HG1 ILE 33 -2.869 -5.760 -6.033 250 HG21 ILE 33 1HG2 ILE 33 -0.811 -4.653 -3.188 251 HG22 ILE 33 2HG2 ILE 33 -1.215 -3.893 -4.727 252 HG23 ILE 33 3HG2 ILE 33 -0.744 -5.592 -4.679 253 HD11 ILE 33 3HD1 ILE 33 -1.874 -7.755 -5.738 254 HD12 ILE 33 1HD1 ILE 33 -3.218 -8.280 -4.726 255 HD13 ILE 33 2HD1 ILE 33 -1.832 -7.471 -3.999 256 H ARG 34 H ARG 34 -1.549 -4.243 -1.187 257 HA ARG 34 HA ARG 34 -3.962 -2.737 -0.356 258 HB2 ARG 34 2HB ARG 34 -3.590 -4.433 1.398 259 HB3 ARG 34 1HB ARG 34 -1.966 -3.785 1.646 260 HG2 ARG 34 2HG ARG 34 -2.845 -1.636 2.292 261 HG3 ARG 34 1HG ARG 34 -4.480 -2.115 1.843 262 HD2 ARG 34 2HD ARG 34 -4.818 -2.999 3.872 263 HD3 ARG 34 1HD ARG 34 -3.407 -4.039 3.680 264 HE ARG 34 HE ARG 34 -2.378 -1.522 4.331 265 HH11 ARG 34 1HH1 ARG 34 -4.786 -1.119 5.990 266 HH12 ARG 34 2HH1 ARG 34 -4.353 -1.869 7.490 267 HH21 ARG 34 1HH2 ARG 34 -1.705 -3.654 6.138 268 HH22 ARG 34 2HH2 ARG 34 -2.608 -3.304 7.574 269 H ARG 35 H ARG 35 -3.440 -0.821 -1.110 270 HA ARG 35 HA ARG 35 -0.715 0.251 -1.006 271 HB2 ARG 35 2HB ARG 35 -3.257 1.646 -1.852 272 HB3 ARG 35 1HB ARG 35 -1.607 2.162 -2.187 273 HG2 ARG 35 2HG ARG 35 -1.523 0.856 -4.008 274 HG3 ARG 35 1HG ARG 35 -1.948 -0.562 -3.052 275 HD2 ARG 35 2HD ARG 35 -4.009 -0.574 -3.948 276 HD3 ARG 35 1HD ARG 35 -4.286 1.072 -3.380 277 HE ARG 35 HE ARG 35 -3.739 1.869 -5.547 278 HH11 ARG 35 1HH2 ARG 35 -1.893 -0.916 -5.171 279 HH12 ARG 35 2HH2 ARG 35 -2.019 -1.430 -6.819 280 HH21 ARG 35 1HH1 ARG 35 -4.357 0.981 -7.674 281 HH22 ARG 35 2HH1 ARG 35 -3.411 -0.357 -8.235 282 H GLY 36 H GLY 36 0.018 1.610 0.541 283 HA2 GLY 36 2HA GLY 36 -1.902 2.954 2.347 284 HA3 GLY 36 1HA GLY 36 -0.731 1.859 3.060 285 H CYS 37 H CYS 37 0.345 3.484 4.180 286 HA CYS 37 HA CYS 37 1.836 5.429 2.470 287 HB2 CYS 37 2HB CYS 37 -0.081 6.095 4.217 288 HB3 CYS 37 1HB CYS 37 1.290 6.037 5.325 289 H GLY 38 H GLY 38 4.023 5.179 2.588 290 HA2 GLY 38 2HA GLY 38 6.082 5.106 3.883 291 HA3 GLY 38 1HA GLY 38 5.224 4.165 5.103 292 H CYS 39 H CYS 39 6.830 2.520 4.925 293 HA CYS 39 HA CYS 39 6.517 0.872 2.443 294 HB2 CYS 39 2HB CYS 39 8.969 0.807 4.223 295 HB3 CYS 39 1HB CYS 39 8.767 0.089 2.628 296 H PHE 40 H PHE 40 6.835 -1.478 2.842 297 HA PHE 40 HA PHE 40 5.185 -2.386 5.019 298 HB2 PHE 40 2HB PHE 40 6.592 -4.644 4.269 299 HB3 PHE 40 1HB PHE 40 5.118 -4.083 3.477 300 HD1 PHE 40 1HD PHE 40 8.781 -4.246 3.284 301 HD2 PHE 40 2HD PHE 40 5.196 -2.856 1.381 302 HE1 PHE 40 1HE PHE 40 10.074 -3.752 1.221 303 HE2 PHE 40 2HE PHE 40 6.478 -2.365 -0.689 304 HZ PHE 40 HZ PHE 40 8.923 -2.807 -0.770 305 H THR 41 H THR 41 6.313 -4.324 6.396 306 HA THR 41 HA THR 41 8.515 -2.921 7.792 307 HB THR 41 HB THR 41 6.968 -5.288 8.845 308 HG1 THR 41 1HG THR 41 5.911 -3.079 8.259 309 HG21 THR 41 3HG2 THR 41 7.824 -3.522 10.855 310 HG22 THR 41 1HG2 THR 41 9.190 -3.691 9.754 311 HG23 THR 41 2HG2 THR 41 8.474 -5.121 10.496 312 HA PRO 42 HA PRO 42 10.490 -7.153 7.246 313 HB2 PRO 42 2HB PRO 42 9.113 -9.132 5.928 314 HB3 PRO 42 1HB PRO 42 8.948 -8.820 7.666 315 HG2 PRO 42 2HG PRO 42 7.004 -8.304 5.508 316 HG3 PRO 42 1HG PRO 42 6.739 -8.353 7.258 317 HD2 PRO 42 2HD PRO 42 7.075 -6.033 5.549 318 HD3 PRO 42 1HD PRO 42 6.683 -6.057 7.279 319 H ARG 43 H ARG 43 10.497 -5.054 5.276 320 HA ARG 43 HA ARG 43 10.330 -5.908 2.589 321 HB2 ARG 43 2HB ARG 43 12.019 -4.197 2.080 322 HB3 ARG 43 1HB ARG 43 10.859 -3.588 3.248 323 HG2 ARG 43 2HG ARG 43 12.389 -4.023 5.087 324 HG3 ARG 43 1HG ARG 43 13.535 -4.785 3.984 325 HD2 ARG 43 2HD ARG 43 14.132 -2.415 4.538 326 HD3 ARG 43 1HD ARG 43 13.886 -2.686 2.813 327 HE ARG 43 HE ARG 43 11.445 -1.826 4.118 328 HH11 ARG 43 1HH1 ARG 43 13.491 -1.109 1.640 329 HH12 ARG 43 2HH1 ARG 43 13.394 0.614 1.783 330 HH21 ARG 43 1HH2 ARG 43 11.732 0.533 4.825 331 HH22 ARG 43 2HH2 ARG 43 12.400 1.543 3.588 332 H GLY 44 H GLY 44 11.816 -6.977 1.208 333 HA2 GLY 44 2HA GLY 44 14.458 -7.640 1.787 334 HA3 GLY 44 1HA GLY 44 13.480 -8.919 2.499 335 H ASP 45 H ASP 45 14.545 -10.353 0.899 336 HA ASP 45 HA ASP 45 13.754 -9.925 -1.920 337 HB2 ASP 45 2HB ASP 45 16.083 -10.731 -1.107 338 HB3 ASP 45 1HB ASP 45 15.299 -12.295 -0.882 339 H MET 46 H MET 46 12.770 -11.819 0.844 340 HA MET 46 HA MET 46 11.574 -13.990 -0.570 341 HB2 MET 46 2HB MET 46 11.554 -12.992 2.155 342 HB3 MET 46 1HB MET 46 9.971 -13.601 1.676 343 HG2 MET 46 2HG MET 46 12.160 -15.323 0.772 344 HG3 MET 46 1HG MET 46 12.103 -15.158 2.527 345 HE1 MET 46 3HE MET 46 9.881 -17.713 3.522 346 HE2 MET 46 1HE MET 46 11.265 -16.633 3.738 347 HE3 MET 46 2HE MET 46 11.377 -18.005 2.638 348 HA PRO 47 HA PRO 47 7.532 -11.553 -0.761 349 HB2 PRO 47 2HB PRO 47 7.351 -9.150 0.540 350 HB3 PRO 47 1HB PRO 47 7.007 -10.699 1.323 351 HG2 PRO 47 2HG PRO 47 9.365 -8.916 1.656 352 HG3 PRO 47 1HG PRO 47 8.704 -10.121 2.773 353 HD2 PRO 47 2HD PRO 47 10.971 -10.439 1.085 354 HD3 PRO 47 1HD PRO 47 10.175 -11.701 2.038 355 H GLY 48 H GLY 48 6.750 -9.360 -1.867 356 HA2 GLY 48 2HA GLY 48 8.949 -7.786 -2.982 357 HA3 GLY 48 1HA GLY 48 8.073 -8.771 -4.147 358 HA PRO 49 HA PRO 49 4.763 -5.730 -2.624 359 HB2 PRO 49 2HB PRO 49 5.276 -4.236 -0.388 360 HB3 PRO 49 1HB PRO 49 4.568 -5.856 -0.340 361 HG2 PRO 49 2HG PRO 49 7.345 -5.032 0.352 362 HG3 PRO 49 1HG PRO 49 6.387 -6.376 0.962 363 HD2 PRO 49 2HD PRO 49 8.415 -6.567 -0.983 364 HD3 PRO 49 1HD PRO 49 7.195 -7.787 -0.604 365 H TYR 50 H TYR 50 4.606 -3.088 -2.399 366 HA TYR 50 HA TYR 50 7.115 -2.007 -3.608 367 HB2 TYR 50 2HB TYR 50 4.783 -2.522 -5.004 368 HB3 TYR 50 1HB TYR 50 4.698 -0.790 -4.684 369 HD1 TYR 50 2HD TYR 50 7.556 -3.132 -5.350 370 HD2 TYR 50 1HD TYR 50 5.431 0.403 -6.547 371 HE1 TYR 50 2HE TYR 50 9.242 -2.720 -7.121 372 HE2 TYR 50 1HE TYR 50 7.116 0.815 -8.319 373 HH TYR 50 HH TYR 50 9.404 0.247 -8.846 374 H CYS 51 H CYS 51 7.780 -0.673 -1.926 375 HA CYS 51 HA CYS 51 5.884 1.257 -0.660 376 HB2 CYS 51 2HB CYS 51 7.792 0.294 0.663 377 HB3 CYS 51 1HB CYS 51 8.918 1.043 -0.467 378 H CYS 52 H CYS 52 6.378 3.625 -0.977 379 HA CYS 52 HA CYS 52 8.042 4.262 -3.337 380 HB2 CYS 52 2HB CYS 52 5.875 3.680 -4.327 381 HB3 CYS 52 1HB CYS 52 5.074 4.865 -3.302 382 H GLU 53 H GLU 53 8.253 6.599 -3.631 383 HA GLU 53 HA GLU 53 7.665 8.060 -1.092 384 HB2 GLU 53 2HB GLU 53 10.014 8.684 -2.873 385 HB3 GLU 53 1HB GLU 53 9.753 9.144 -1.189 386 HG2 GLU 53 2HG GLU 53 9.911 6.781 -0.510 387 HG3 GLU 53 1HG GLU 53 10.180 6.316 -2.190 388 H SER 54 H SER 54 5.668 8.367 -2.648 389 HA SER 54 HA SER 54 5.834 11.122 -3.598 390 HB2 SER 54 2HB SER 54 4.603 9.925 -5.798 391 HB3 SER 54 1HB SER 54 6.220 10.623 -5.771 392 HG SER 54 HG SER 54 6.129 8.403 -6.471 393 H ASP 55 H ASP 55 3.697 12.037 -3.710 394 HA ASP 55 HA ASP 55 1.774 10.646 -2.091 395 HB2 ASP 55 2HB ASP 55 0.974 12.925 -3.875 396 HB3 ASP 55 1HB ASP 55 0.464 12.563 -2.226 397 H LYS 56 H LYS 56 -0.241 9.735 -2.722 398 HA LYS 56 HA LYS 56 -1.450 8.248 -4.096 399 HB2 LYS 56 2HB LYS 56 -1.183 10.840 -5.551 400 HB3 LYS 56 1HB LYS 56 -1.822 9.467 -6.455 401 HG2 LYS 56 2HG LYS 56 -3.707 9.284 -5.124 402 HG3 LYS 56 1HG LYS 56 -2.913 9.997 -3.721 403 HD2 LYS 56 2HD LYS 56 -4.181 11.815 -4.318 404 HD3 LYS 56 1HD LYS 56 -2.808 12.112 -5.385 405 HE2 LYS 56 2HE LYS 56 -4.249 10.416 -6.935 406 HE3 LYS 56 1HE LYS 56 -5.552 11.205 -6.046 407 HZ1 LYS 56 3HZ LYS 56 -4.750 13.334 -6.727 408 HZ2 LYS 56 1HZ LYS 56 -4.926 12.369 -8.111 409 HZ3 LYS 56 2HZ LYS 56 -3.381 12.649 -7.463 410 H CYS 57 H CYS 57 1.410 7.799 -4.078 411 HA CYS 57 HA CYS 57 2.133 7.269 -6.889 412 HB2 CYS 57 2HB CYS 57 3.902 8.094 -5.466 413 HB3 CYS 57 1HB CYS 57 3.600 6.828 -4.276 414 H ASN 58 H ASN 58 0.864 5.466 -4.146 415 HA ASN 58 HA ASN 58 1.523 2.941 -5.496 416 HB2 ASN 58 2HB ASN 58 0.322 1.986 -3.389 417 HB3 ASN 58 1HB ASN 58 1.930 2.680 -3.211 418 HD21 ASN 58 1HD2 ASN 58 0.524 2.652 -0.897 419 HD22 ASN 58 2HD2 ASN 58 -0.134 4.174 -0.521 420 H LEU 59 H LEU 59 -0.042 3.928 -7.223 421 HA LEU 59 HA LEU 59 -2.857 3.178 -6.556 422 HB2 LEU 59 2HB LEU 59 -1.965 5.489 -7.677 423 HB3 LEU 59 1HB LEU 59 -2.260 4.530 -9.127 424 HG LEU 59 HG LEU 59 -4.235 5.183 -6.928 425 HD11 LEU 59 1HD1 LEU 59 -5.409 6.379 -8.615 426 HD12 LEU 59 2HD1 LEU 59 -4.472 5.630 -9.907 427 HD13 LEU 59 3HD1 LEU 59 -3.717 6.820 -8.846 428 HD21 LEU 59 3HD2 LEU 59 -4.528 2.844 -7.578 429 HD22 LEU 59 1HD2 LEU 59 -4.495 3.288 -9.284 430 HD23 LEU 59 2HD2 LEU 59 -5.835 3.809 -8.263 Start of MODEL 16 1 H1 ARG 1 1HT ARG 1 2.659 11.973 4.475 2 H2 ARG 1 2HT ARG 1 1.929 13.500 4.628 3 H3 ARG 1 3HT ARG 1 3.570 13.379 4.208 4 HA ARG 1 HA ARG 1 2.081 13.918 2.316 5 HB2 ARG 1 2HB ARG 1 4.312 12.861 2.027 6 HB3 ARG 1 1HB ARG 1 3.563 11.273 2.184 7 HG2 ARG 1 2HG ARG 1 2.126 11.810 0.208 8 HG3 ARG 1 1HG ARG 1 3.020 13.316 0.010 9 HD2 ARG 1 2HD ARG 1 4.658 10.857 0.276 10 HD3 ARG 1 1HD ARG 1 3.722 10.982 -1.204 11 HE ARG 1 HE ARG 1 5.968 12.114 -1.455 12 HH11 ARG 1 1HH1 ARG 1 5.804 13.770 1.059 13 HH12 ARG 1 2HH1 ARG 1 5.365 15.324 0.429 14 HH21 ARG 1 1HH2 ARG 1 4.358 14.085 -2.651 15 HH22 ARG 1 2HH2 ARG 1 4.545 15.502 -1.671 16 H ILE 2 H ILE 2 0.609 12.814 0.675 17 HA ILE 2 HA ILE 2 -1.236 10.967 2.127 18 HB ILE 2 HB ILE 2 -1.863 12.452 -0.420 19 HG12 ILE 2 2HG1 ILE 2 -3.048 13.705 1.836 20 HG13 ILE 2 1HG1 ILE 2 -1.327 13.505 2.174 21 HG21 ILE 2 1HG2 ILE 2 -4.192 12.179 0.495 22 HG22 ILE 2 2HG2 ILE 2 -3.512 11.208 1.800 23 HG23 ILE 2 3HG2 ILE 2 -3.391 10.650 0.132 24 HD11 ILE 2 3HD1 ILE 2 -2.442 14.725 -0.365 25 HD12 ILE 2 1HD1 ILE 2 -0.741 14.616 0.088 26 HD13 ILE 2 2HD1 ILE 2 -1.833 15.656 1.003 27 H CYS 3 H CYS 3 -1.263 8.882 1.489 28 HA CYS 3 HA CYS 3 -0.321 8.381 -1.284 29 HB2 CYS 3 2HB CYS 3 -0.090 6.572 1.141 30 HB3 CYS 3 1HB CYS 3 0.349 6.099 -0.499 31 H TYR 4 H TYR 4 -1.233 5.825 -1.708 32 HA TYR 4 HA TYR 4 -4.148 6.306 -1.580 33 HB2 TYR 4 2HB TYR 4 -2.349 4.889 -3.445 34 HB3 TYR 4 1HB TYR 4 -3.914 4.122 -3.174 35 HD1 TYR 4 1HD TYR 4 -5.982 5.815 -3.159 36 HD2 TYR 4 2HD TYR 4 -2.209 6.540 -5.077 37 HE1 TYR 4 1HE TYR 4 -7.055 7.481 -4.649 38 HE2 TYR 4 2HE TYR 4 -3.283 8.203 -6.568 39 HH TYR 4 HH TYR 4 -6.095 9.631 -5.992 40 H ASN 5 H ASN 5 -5.584 4.814 -0.689 41 HA ASN 5 HA ASN 5 -4.341 2.633 0.936 42 HB2 ASN 5 2HB ASN 5 -5.341 4.136 2.454 43 HB3 ASN 5 1HB ASN 5 -6.731 4.414 1.415 44 HD21 ASN 5 1HD2 ASN 5 -5.178 1.412 2.702 45 HD22 ASN 5 2HD2 ASN 5 -6.613 0.776 3.347 46 H HIS 6 H HIS 6 -5.947 3.062 -1.884 47 HA HIS 6 HA HIS 6 -8.180 1.379 -1.842 48 HB2 HIS 6 2HB HIS 6 -7.937 2.326 -3.897 49 HB3 HIS 6 1HB HIS 6 -6.192 2.157 -3.910 50 HD1 HIS 6 1HD HIS 6 -5.985 0.943 -6.150 51 HD2 HIS 6 2HD HIS 6 -8.647 -0.935 -3.549 52 HE1 HIS 6 1HE HIS 6 -6.558 -1.289 -7.200 53 H LEU 7 H LEU 7 -8.489 -0.725 -1.604 54 HA LEU 7 HA LEU 7 -6.084 -2.463 -1.256 55 HB2 LEU 7 2HB LEU 7 -8.904 -2.718 -0.190 56 HB3 LEU 7 1HB LEU 7 -7.666 -3.960 0.003 57 HG LEU 7 HG LEU 7 -6.304 -1.753 0.840 58 HD11 LEU 7 1HD1 LEU 7 -8.895 -1.338 2.239 59 HD12 LEU 7 2HD1 LEU 7 -8.783 -0.707 0.597 60 HD13 LEU 7 3HD1 LEU 7 -7.639 -0.170 1.827 61 HD21 LEU 7 3HD2 LEU 7 -6.657 -4.021 1.947 62 HD22 LEU 7 1HD2 LEU 7 -8.129 -3.355 2.651 63 HD23 LEU 7 2HD2 LEU 7 -6.563 -2.651 3.053 64 H GLY 8 H GLY 8 -5.743 -4.113 -2.618 65 HA2 GLY 8 2HA GLY 8 -6.091 -4.994 -4.887 66 HA3 GLY 8 1HA GLY 8 -6.932 -6.076 -3.786 67 H THR 9 H THR 9 -9.188 -6.158 -3.847 68 HA THR 9 HA THR 9 -10.430 -4.686 -6.123 69 HB THR 9 HB THR 9 -10.882 -6.970 -6.409 70 HG1 THR 9 1HG THR 9 -12.974 -6.832 -6.397 71 HG21 THR 9 3HG2 THR 9 -11.202 -7.046 -3.402 72 HG22 THR 9 1HG2 THR 9 -9.982 -7.861 -4.379 73 HG23 THR 9 2HG2 THR 9 -11.662 -8.391 -4.445 74 H LYS 10 H LYS 10 -10.317 -4.773 -2.709 75 HA LYS 10 HA LYS 10 -12.874 -3.994 -1.871 76 HB2 LYS 10 2HB LYS 10 -10.190 -3.889 -0.860 77 HB3 LYS 10 1HB LYS 10 -10.973 -2.350 -0.512 78 HG2 LYS 10 2HG LYS 10 -12.904 -3.598 0.467 79 HG3 LYS 10 1HG LYS 10 -12.037 -5.105 0.182 80 HD2 LYS 10 2HD LYS 10 -10.710 -4.809 1.986 81 HD3 LYS 10 1HD LYS 10 -10.410 -3.118 1.585 82 HE2 LYS 10 2HE LYS 10 -12.135 -2.362 2.887 83 HE3 LYS 10 1HE LYS 10 -13.142 -3.769 2.550 84 HZ1 LYS 10 3HZ LYS 10 -11.855 -5.075 4.057 85 HZ2 LYS 10 1HZ LYS 10 -12.326 -3.659 4.866 86 HZ3 LYS 10 2HZ LYS 10 -10.737 -3.817 4.287 87 HA PRO 11 HA PRO 11 -13.542 0.080 -3.384 88 HB2 PRO 11 2HB PRO 11 -14.016 1.652 -1.168 89 HB3 PRO 11 1HB PRO 11 -15.186 0.496 -1.827 90 HG2 PRO 11 2HG PRO 11 -13.471 0.254 0.605 91 HG3 PRO 11 1HG PRO 11 -15.049 -0.476 0.266 92 HD2 PRO 11 2HD PRO 11 -12.585 -1.806 0.113 93 HD3 PRO 11 1HD PRO 11 -14.098 -2.374 -0.622 94 HA PRO 12 HA PRO 12 -9.461 1.793 -3.153 95 HB2 PRO 12 2HB PRO 12 -9.759 3.554 -5.248 96 HB3 PRO 12 1HB PRO 12 -9.450 1.820 -5.449 97 HG2 PRO 12 2HG PRO 12 -11.993 3.331 -5.835 98 HG3 PRO 12 1HG PRO 12 -11.456 1.826 -6.598 99 HD2 PRO 12 2HD PRO 12 -13.307 2.026 -4.473 100 HD3 PRO 12 1HD PRO 12 -12.490 0.541 -5.003 101 H THR 13 H THR 13 -8.881 3.235 -1.642 102 HA THR 13 HA THR 13 -10.062 5.956 -1.698 103 HB THR 13 HB THR 13 -11.335 5.453 0.117 104 HG1 THR 13 1HG THR 13 -10.308 6.050 1.879 105 HG21 THR 13 3HG2 THR 13 -11.396 3.151 0.175 106 HG22 THR 13 1HG2 THR 13 -10.482 3.435 1.657 107 HG23 THR 13 2HG2 THR 13 -9.639 3.003 0.170 108 H THR 14 H THR 14 -8.552 7.535 -1.039 109 HA THR 14 HA THR 14 -5.799 6.718 -1.160 110 HB THR 14 HB THR 14 -5.318 9.122 -0.593 111 HG1 THR 14 1HG THR 14 -7.257 9.402 0.644 112 HG21 THR 14 3HG2 THR 14 -6.808 9.913 -2.675 113 HG22 THR 14 1HG2 THR 14 -7.005 8.169 -2.848 114 HG23 THR 14 2HG2 THR 14 -5.391 8.880 -2.870 115 H GLU 15 H GLU 15 -4.354 7.946 0.668 116 HA GLU 15 HA GLU 15 -5.432 7.457 3.370 117 HB2 GLU 15 2HB GLU 15 -4.087 5.392 2.088 118 HB3 GLU 15 1HB GLU 15 -2.830 6.158 3.056 119 HG2 GLU 15 2HG GLU 15 -5.480 5.067 4.033 120 HG3 GLU 15 1HG GLU 15 -3.864 4.502 4.459 121 H THR 16 H THR 16 -4.742 9.187 4.527 122 HA THR 16 HA THR 16 -2.331 10.628 3.585 123 HB THR 16 HB THR 16 -3.454 11.892 5.870 124 HG1 THR 16 1HG THR 16 -5.523 11.764 4.083 125 HG21 THR 16 3HG2 THR 16 -4.134 12.755 3.093 126 HG22 THR 16 1HG2 THR 16 -2.433 12.690 3.554 127 HG23 THR 16 2HG2 THR 16 -3.552 13.713 4.454 128 H CYS 17 H CYS 17 -0.425 10.334 4.582 129 HA CYS 17 HA CYS 17 -0.392 9.575 7.455 130 HB2 CYS 17 2HB CYS 17 1.388 8.191 5.448 131 HB3 CYS 17 1HB CYS 17 1.086 7.741 7.124 132 H GLN 18 H GLN 18 2.274 9.401 7.891 133 HA GLN 18 HA GLN 18 3.172 12.148 7.231 134 HB2 GLN 18 2HB GLN 18 3.298 11.340 9.565 135 HB3 GLN 18 1HB GLN 18 4.420 10.087 9.056 136 HG2 GLN 18 2HG GLN 18 5.569 12.147 9.937 137 HG3 GLN 18 1HG GLN 18 6.023 11.723 8.293 138 HE21 GLN 18 1HE2 GLN 18 5.003 12.991 6.508 139 HE22 GLN 18 2HE2 GLN 18 4.403 14.549 6.804 140 H GLU 19 H GLU 19 4.064 8.811 6.728 141 HA GLU 19 HA GLU 19 6.710 9.313 5.780 142 HB2 GLU 19 2HB GLU 19 5.189 7.078 4.537 143 HB3 GLU 19 1HB GLU 19 6.812 7.085 5.214 144 HG2 GLU 19 2HG GLU 19 5.352 7.588 7.453 145 HG3 GLU 19 1HG GLU 19 4.219 6.581 6.551 146 H ASP 20 H ASP 20 7.478 9.884 3.797 147 HA ASP 20 HA ASP 20 5.553 11.038 1.915 148 HB2 ASP 20 2HB ASP 20 8.344 10.861 1.003 149 HB3 ASP 20 1HB ASP 20 7.294 12.267 1.133 150 H SER 21 H SER 21 6.862 7.968 2.378 151 HA SER 21 HA SER 21 6.868 7.350 -0.496 152 HB2 SER 21 2HB SER 21 8.540 6.035 0.339 153 HB3 SER 21 1HB SER 21 7.820 5.968 1.939 154 HG SER 21 HG SER 21 7.505 4.309 -0.230 155 H CYS 22 H CYS 22 5.708 5.082 -0.932 156 HA CYS 22 HA CYS 22 3.166 4.854 0.541 157 HB2 CYS 22 2HB CYS 22 3.112 5.187 -2.470 158 HB3 CYS 22 1HB CYS 22 1.745 5.163 -1.359 159 H TYR 23 H TYR 23 2.897 2.630 0.774 160 HA TYR 23 HA TYR 23 4.515 0.979 -1.085 161 HB2 TYR 23 2HB TYR 23 4.328 -0.831 0.513 162 HB3 TYR 23 1HB TYR 23 4.892 0.607 1.326 163 HD1 TYR 23 1HD TYR 23 1.698 -1.172 0.491 164 HD2 TYR 23 2HD TYR 23 3.817 1.283 3.308 165 HE1 TYR 23 1HE TYR 23 -0.200 -1.349 2.068 166 HE2 TYR 23 2HE TYR 23 1.916 1.105 4.885 167 HH TYR 23 HH TYR 23 -0.012 0.036 5.329 168 H LYS 24 H LYS 24 3.743 -0.706 -2.157 169 HA LYS 24 HA LYS 24 0.808 -1.219 -2.091 170 HB2 LYS 24 2HB LYS 24 2.190 0.060 -4.238 171 HB3 LYS 24 1HB LYS 24 1.697 -1.555 -4.763 172 HG2 LYS 24 2HG LYS 24 -0.526 -0.997 -3.567 173 HG3 LYS 24 1HG LYS 24 -0.008 0.677 -3.751 174 HD2 LYS 24 2HD LYS 24 -0.405 -1.356 -5.947 175 HD3 LYS 24 1HD LYS 24 -1.327 0.122 -5.690 176 HE2 LYS 24 2HE LYS 24 0.116 1.043 -7.180 177 HE3 LYS 24 1HE LYS 24 1.239 1.083 -5.823 178 HZ1 LYS 24 3HZ LYS 24 1.644 -1.380 -6.612 179 HZ2 LYS 24 1HZ LYS 24 2.478 -0.077 -7.307 180 HZ3 LYS 24 2HZ LYS 24 1.132 -0.743 -8.101 181 H ASN 25 H ASN 25 1.014 -3.217 -1.152 182 HA ASN 25 HA ASN 25 2.941 -5.115 -2.410 183 HB2 ASN 25 2HB ASN 25 1.682 -6.033 0.068 184 HB3 ASN 25 1HB ASN 25 3.387 -5.924 -0.344 185 HD21 ASN 25 1HD2 ASN 25 3.441 -3.023 -0.826 186 HD22 ASN 25 2HD2 ASN 25 3.188 -2.277 0.667 187 H ILE 26 H ILE 26 2.276 -7.198 -3.007 188 HA ILE 26 HA ILE 26 -0.571 -7.366 -3.752 189 HB ILE 26 HB ILE 26 0.102 -9.134 -5.211 190 HG12 ILE 26 2HG1 ILE 26 2.784 -9.627 -4.877 191 HG13 ILE 26 1HG1 ILE 26 2.243 -9.435 -3.210 192 HG21 ILE 26 1HG2 ILE 26 2.321 -7.076 -5.042 193 HG22 ILE 26 2HG2 ILE 26 0.814 -6.904 -5.942 194 HG23 ILE 26 3HG2 ILE 26 2.002 -8.111 -6.433 195 HD11 ILE 26 3HD1 ILE 26 2.052 -11.774 -4.584 196 HD12 ILE 26 1HD1 ILE 26 0.475 -11.067 -4.938 197 HD13 ILE 26 2HD1 ILE 26 0.967 -11.328 -3.266 198 H TRP 27 H TRP 27 1.579 -8.711 -1.374 199 HA TRP 27 HA TRP 27 -0.403 -10.854 -0.775 200 HB2 TRP 27 2HB TRP 27 1.739 -11.076 1.030 201 HB3 TRP 27 1HB TRP 27 1.418 -12.107 -0.361 202 HD1 TRP 27 HD TRP 27 3.225 -8.795 0.467 203 HE1 TRP 27 1HE TRP 27 5.234 -8.556 -1.125 204 HE3 TRP 27 3HE TRP 27 2.553 -12.939 -2.444 205 HZ2 TRP 27 2HZ TRP 27 6.414 -9.938 -3.329 206 HZ3 TRP 27 3HZ TRP 27 4.139 -13.454 -4.279 207 HH2 TRP 27 HH TRP 27 6.067 -11.960 -4.723 208 H THR 28 H THR 28 -1.327 -11.034 1.286 209 HA THR 28 HA THR 28 -0.698 -9.098 3.373 210 HB THR 28 HB THR 28 -2.350 -8.104 1.506 211 HG1 THR 28 1HG THR 28 -1.952 -6.734 3.056 212 HG21 THR 28 3HG2 THR 28 -4.384 -9.020 3.497 213 HG22 THR 28 1HG2 THR 28 -3.940 -10.116 2.190 214 HG23 THR 28 2HG2 THR 28 -4.604 -8.524 1.822 215 H PHE 29 H PHE 29 -3.074 -9.390 4.880 216 HA PHE 29 HA PHE 29 -2.769 -12.199 5.677 217 HB2 PHE 29 2HB PHE 29 -3.199 -9.944 7.120 218 HB3 PHE 29 1HB PHE 29 -4.855 -10.536 6.970 219 HD1 PHE 29 2HD PHE 29 -1.399 -11.765 7.758 220 HD2 PHE 29 1HD PHE 29 -5.618 -12.172 8.459 221 HE1 PHE 29 2HE PHE 29 -0.946 -13.482 9.488 222 HE2 PHE 29 1HE PHE 29 -5.165 -13.890 10.190 223 HZ PHE 29 HZ PHE 29 -2.828 -14.545 10.703 224 H ASP 30 H ASP 30 -5.452 -10.117 4.531 225 HA ASP 30 HA ASP 30 -6.868 -12.642 3.770 226 HB2 ASP 30 2HB ASP 30 -7.735 -10.834 5.651 227 HB3 ASP 30 1HB ASP 30 -8.557 -10.271 4.196 228 H ASN 31 H ASN 31 -6.403 -9.193 2.981 229 HA ASN 31 HA ASN 31 -7.748 -9.466 0.403 230 HB2 ASN 31 2HB ASN 31 -5.877 -7.220 1.128 231 HB3 ASN 31 1HB ASN 31 -7.326 -7.169 0.123 232 HD21 ASN 31 1HD2 ASN 31 -6.348 -5.994 2.972 233 HD22 ASN 31 2HD2 ASN 31 -7.769 -6.133 3.890 234 H ILE 32 H ILE 32 -5.845 -7.918 -1.152 235 HA ILE 32 HA ILE 32 -3.558 -9.818 -1.386 236 HB ILE 32 HB ILE 32 -4.861 -8.769 -3.873 237 HG12 ILE 32 2HG1 ILE 32 -6.661 -9.780 -2.409 238 HG13 ILE 32 1HG1 ILE 32 -6.413 -10.622 -3.938 239 HG21 ILE 32 1HG2 ILE 32 -3.468 -11.372 -3.174 240 HG22 ILE 32 2HG2 ILE 32 -2.689 -9.978 -3.924 241 HG23 ILE 32 3HG2 ILE 32 -3.954 -10.852 -4.789 242 HD11 ILE 32 3HD1 ILE 32 -5.766 -12.515 -2.896 243 HD12 ILE 32 1HD1 ILE 32 -6.356 -11.780 -1.405 244 HD13 ILE 32 2HD1 ILE 32 -4.655 -11.635 -1.845 245 H ILE 33 H ILE 33 -4.740 -6.967 -3.211 246 HA ILE 33 HA ILE 33 -2.006 -5.842 -3.058 247 HB ILE 33 HB ILE 33 -4.184 -4.317 -4.374 248 HG12 ILE 33 2HG1 ILE 33 -4.709 -6.645 -4.979 249 HG13 ILE 33 1HG1 ILE 33 -4.105 -5.755 -6.373 250 HG21 ILE 33 1HG2 ILE 33 -1.364 -4.369 -4.327 251 HG22 ILE 33 2HG2 ILE 33 -2.397 -3.342 -5.321 252 HG23 ILE 33 3HG2 ILE 33 -1.832 -4.893 -5.944 253 HD11 ILE 33 3HD1 ILE 33 -1.865 -6.864 -4.998 254 HD12 ILE 33 1HD1 ILE 33 -2.451 -7.256 -6.613 255 HD13 ILE 33 2HD1 ILE 33 -3.054 -8.147 -5.215 256 H ARG 34 H ARG 34 -1.518 -3.999 -1.883 257 HA ARG 34 HA ARG 34 -3.768 -2.480 -0.732 258 HB2 ARG 34 2HB ARG 34 -3.100 -4.366 0.861 259 HB3 ARG 34 1HB ARG 34 -1.620 -3.440 1.131 260 HG2 ARG 34 2HG ARG 34 -2.747 -1.657 2.092 261 HG3 ARG 34 1HG ARG 34 -4.252 -2.025 1.267 262 HD2 ARG 34 2HD ARG 34 -4.877 -3.625 2.810 263 HD3 ARG 34 1HD ARG 34 -3.210 -4.048 3.198 264 HE ARG 34 HE ARG 34 -4.766 -2.234 4.697 265 HH11 ARG 34 1HH2 ARG 34 -1.613 -3.173 4.149 266 HH12 ARG 34 2HH2 ARG 34 -0.880 -1.720 4.744 267 HH21 ARG 34 1HH1 ARG 34 -3.879 0.003 5.001 268 HH22 ARG 34 2HH1 ARG 34 -2.164 0.077 5.227 269 H ARG 35 H ARG 35 -3.300 -0.510 -1.333 270 HA ARG 35 HA ARG 35 -0.543 0.479 -1.543 271 HB2 ARG 35 2HB ARG 35 -3.142 1.980 -1.908 272 HB3 ARG 35 1HB ARG 35 -1.549 2.484 -2.461 273 HG2 ARG 35 2HG ARG 35 -1.736 1.264 -4.340 274 HG3 ARG 35 1HG ARG 35 -2.201 -0.174 -3.432 275 HD2 ARG 35 2HD ARG 35 -4.505 1.043 -3.196 276 HD3 ARG 35 1HD ARG 35 -3.949 1.992 -4.573 277 HE ARG 35 HE ARG 35 -4.872 -0.738 -4.686 278 HH11 ARG 35 1HH2 ARG 35 -3.410 1.828 -6.341 279 HH12 ARG 35 2HH2 ARG 35 -2.869 0.870 -7.679 280 HH21 ARG 35 1HH1 ARG 35 -3.808 -2.144 -6.245 281 HH22 ARG 35 2HH1 ARG 35 -3.095 -1.376 -7.625 282 H GLY 36 H GLY 36 0.435 1.670 0.073 283 HA2 GLY 36 2HA GLY 36 -1.281 2.997 2.098 284 HA3 GLY 36 1HA GLY 36 -0.091 1.834 2.673 285 H CYS 37 H CYS 37 0.432 4.144 3.738 286 HA CYS 37 HA CYS 37 2.235 5.686 1.934 287 HB2 CYS 37 2HB CYS 37 1.889 6.573 4.736 288 HB3 CYS 37 1HB CYS 37 1.869 7.518 3.251 289 H GLY 38 H GLY 38 4.352 5.108 1.991 290 HA2 GLY 38 2HA GLY 38 6.462 4.812 3.121 291 HA3 GLY 38 1HA GLY 38 5.573 4.374 4.583 292 H CYS 39 H CYS 39 6.819 2.390 4.674 293 HA CYS 39 HA CYS 39 6.015 0.422 2.580 294 HB2 CYS 39 2HB CYS 39 8.366 0.397 4.449 295 HB3 CYS 39 1HB CYS 39 7.952 -0.927 3.376 296 H PHE 40 H PHE 40 5.490 -1.763 3.397 297 HA PHE 40 HA PHE 40 3.669 -1.607 5.608 298 HB2 PHE 40 2HB PHE 40 3.620 -4.137 5.416 299 HB3 PHE 40 1HB PHE 40 3.209 -3.261 3.952 300 HD1 PHE 40 1HD PHE 40 6.690 -2.918 4.565 301 HD2 PHE 40 2HD PHE 40 3.766 -5.678 3.058 302 HE1 PHE 40 1HE PHE 40 8.459 -4.102 3.326 303 HE2 PHE 40 2HE PHE 40 5.549 -6.878 1.826 304 HZ PHE 40 HZ PHE 40 7.898 -6.090 1.957 305 H THR 41 H THR 41 3.862 -3.200 7.525 306 HA THR 41 HA THR 41 6.262 -2.462 8.962 307 HB THR 41 HB THR 41 4.228 -4.450 9.937 308 HG1 THR 41 1HG THR 41 4.060 -1.622 9.866 309 HG21 THR 41 3HG2 THR 41 5.453 -2.251 11.542 310 HG22 THR 41 1HG2 THR 41 6.458 -3.641 11.128 311 HG23 THR 41 2HG2 THR 41 4.968 -3.871 12.043 312 HA PRO 42 HA PRO 42 7.235 -7.098 8.872 313 HB2 PRO 42 2HB PRO 42 5.771 -8.704 7.186 314 HB3 PRO 42 1HB PRO 42 5.316 -8.364 8.864 315 HG2 PRO 42 2HG PRO 42 4.086 -7.355 6.362 316 HG3 PRO 42 1HG PRO 42 3.395 -7.449 7.990 317 HD2 PRO 42 2HD PRO 42 4.474 -5.134 6.688 318 HD3 PRO 42 1HD PRO 42 3.875 -5.234 8.355 319 H ARG 43 H ARG 43 8.236 -5.107 7.098 320 HA ARG 43 HA ARG 43 8.542 -6.047 4.411 321 HB2 ARG 43 2HB ARG 43 10.401 -4.475 4.262 322 HB3 ARG 43 1HB ARG 43 9.088 -3.731 5.165 323 HG2 ARG 43 2HG ARG 43 10.170 -4.253 7.281 324 HG3 ARG 43 1HG ARG 43 11.439 -5.145 6.442 325 HD2 ARG 43 2HD ARG 43 11.995 -2.999 5.212 326 HD3 ARG 43 1HD ARG 43 10.895 -2.170 6.312 327 HE ARG 43 HE ARG 43 12.405 -2.785 8.165 328 HH11 ARG 43 1HH2 ARG 43 13.609 -4.991 6.233 329 HH12 ARG 43 2HH2 ARG 43 15.222 -4.376 6.091 330 HH21 ARG 43 1HH1 ARG 43 14.438 -1.278 7.443 331 HH22 ARG 43 2HH1 ARG 43 15.692 -2.271 6.778 332 H GLY 44 H GLY 44 10.917 -6.529 3.613 333 HA2 GLY 44 2HA GLY 44 12.933 -7.719 4.954 334 HA3 GLY 44 1HA GLY 44 11.701 -8.974 4.994 335 H ASP 45 H ASP 45 13.412 -10.152 3.694 336 HA ASP 45 HA ASP 45 13.653 -9.265 0.883 337 HB2 ASP 45 2HB ASP 45 15.066 -11.415 0.749 338 HB3 ASP 45 1HB ASP 45 15.694 -10.112 1.760 339 H MET 46 H MET 46 11.350 -10.848 2.604 340 HA MET 46 HA MET 46 10.848 -13.033 0.713 341 HB2 MET 46 2HB MET 46 9.898 -12.244 3.357 342 HB3 MET 46 1HB MET 46 8.588 -12.782 2.305 343 HG2 MET 46 2HG MET 46 9.277 -14.932 2.399 344 HG3 MET 46 1HG MET 46 10.951 -14.482 2.074 345 HE1 MET 46 3HE MET 46 8.724 -16.105 4.027 346 HE2 MET 46 1HE MET 46 9.349 -16.229 5.678 347 HE3 MET 46 2HE MET 46 10.255 -16.920 4.335 348 HA PRO 47 HA PRO 47 7.127 -10.248 -0.343 349 HB2 PRO 47 2HB PRO 47 7.018 -7.766 0.825 350 HB3 PRO 47 1HB PRO 47 6.312 -9.224 1.540 351 HG2 PRO 47 2HG PRO 47 8.758 -7.743 2.348 352 HG3 PRO 47 1HG PRO 47 7.737 -8.826 3.307 353 HD2 PRO 47 2HD PRO 47 10.252 -9.458 2.113 354 HD3 PRO 47 1HD PRO 47 9.145 -10.594 2.911 355 H GLY 48 H GLY 48 6.852 -8.672 -2.010 356 HA2 GLY 48 2HA GLY 48 9.172 -6.974 -2.666 357 HA3 GLY 48 1HA GLY 48 8.599 -8.107 -3.886 358 HA PRO 49 HA PRO 49 4.943 -5.071 -3.214 359 HB2 PRO 49 2HB PRO 49 5.299 -3.087 -1.348 360 HB3 PRO 49 1HB PRO 49 4.600 -4.670 -0.970 361 HG2 PRO 49 2HG PRO 49 7.336 -3.637 -0.373 362 HG3 PRO 49 1HG PRO 49 6.354 -4.812 0.510 363 HD2 PRO 49 2HD PRO 49 8.486 -5.465 -1.191 364 HD3 PRO 49 1HD PRO 49 7.216 -6.591 -0.666 365 H TYR 50 H TYR 50 4.876 -2.298 -3.013 366 HA TYR 50 HA TYR 50 7.159 -1.406 -4.710 367 HB2 TYR 50 2HB TYR 50 4.336 -1.567 -5.398 368 HB3 TYR 50 1HB TYR 50 4.950 0.081 -5.555 369 HD1 TYR 50 1HD TYR 50 7.638 -0.095 -6.417 370 HD2 TYR 50 2HD TYR 50 4.365 -2.677 -7.448 371 HE1 TYR 50 1HE TYR 50 8.798 -0.728 -8.517 372 HE2 TYR 50 2HE TYR 50 5.524 -3.309 -9.547 373 HH TYR 50 HH TYR 50 8.030 -3.360 -10.314 374 H CYS 51 H CYS 51 7.984 -0.449 -2.708 375 HA CYS 51 HA CYS 51 6.432 1.631 -1.323 376 HB2 CYS 51 2HB CYS 51 9.322 0.740 -1.255 377 HB3 CYS 51 1HB CYS 51 8.765 2.191 -0.418 378 H CYS 52 H CYS 52 5.958 3.369 -2.643 379 HA CYS 52 HA CYS 52 8.089 4.404 -4.448 380 HB2 CYS 52 2HB CYS 52 5.895 4.072 -5.480 381 HB3 CYS 52 1HB CYS 52 5.143 5.104 -4.272 382 H GLU 53 H GLU 53 8.385 6.782 -4.454 383 HA GLU 53 HA GLU 53 7.877 7.894 -1.748 384 HB2 GLU 53 2HB GLU 53 10.270 8.648 -3.392 385 HB3 GLU 53 1HB GLU 53 9.971 8.922 -1.668 386 HG2 GLU 53 2HG GLU 53 10.331 6.700 -1.098 387 HG3 GLU 53 1HG GLU 53 9.988 6.117 -2.727 388 H SER 54 H SER 54 5.891 8.462 -3.113 389 HA SER 54 HA SER 54 6.100 11.312 -3.727 390 HB2 SER 54 2HB SER 54 4.654 10.229 -5.932 391 HB3 SER 54 1HB SER 54 6.151 11.156 -5.974 392 HG SER 54 HG SER 54 7.305 9.268 -5.823 393 H ASP 55 H ASP 55 3.900 12.257 -3.855 394 HA ASP 55 HA ASP 55 2.086 10.907 -2.068 395 HB2 ASP 55 2HB ASP 55 2.026 13.273 -2.051 396 HB3 ASP 55 1HB ASP 55 1.815 13.370 -3.798 397 H LYS 56 H LYS 56 -0.027 10.148 -2.552 398 HA LYS 56 HA LYS 56 -1.284 8.516 -3.750 399 HB2 LYS 56 2HB LYS 56 -2.460 9.544 -5.596 400 HB3 LYS 56 1HB LYS 56 -2.185 10.788 -4.378 401 HG2 LYS 56 2HG LYS 56 -0.176 11.539 -5.618 402 HG3 LYS 56 1HG LYS 56 -0.504 10.331 -6.860 403 HD2 LYS 56 2HD LYS 56 -1.452 12.350 -7.689 404 HD3 LYS 56 1HD LYS 56 -2.817 11.414 -7.080 405 HE2 LYS 56 2HE LYS 56 -2.951 12.710 -5.086 406 HE3 LYS 56 1HE LYS 56 -1.369 13.440 -5.366 407 HZ1 LYS 56 3HZ LYS 56 -2.492 15.093 -6.309 408 HZ2 LYS 56 1HZ LYS 56 -3.935 14.204 -6.383 409 HZ3 LYS 56 2HZ LYS 56 -2.775 14.042 -7.615 410 H CYS 57 H CYS 57 1.578 8.147 -4.095 411 HA CYS 57 HA CYS 57 2.030 7.708 -6.952 412 HB2 CYS 57 2HB CYS 57 3.814 8.426 -5.339 413 HB3 CYS 57 1HB CYS 57 3.738 6.817 -4.622 414 H ASN 58 H ASN 58 0.754 5.714 -4.371 415 HA ASN 58 HA ASN 58 1.591 3.263 -5.691 416 HB2 ASN 58 2HB ASN 58 -0.315 2.391 -3.995 417 HB3 ASN 58 1HB ASN 58 1.361 2.632 -3.530 418 HD21 ASN 58 1HD2 ASN 58 0.268 2.887 -1.332 419 HD22 ASN 58 2HD2 ASN 58 -0.322 4.423 -0.904 420 H LEU 59 H LEU 59 -0.372 5.375 -6.913 421 HA LEU 59 HA LEU 59 -2.195 3.264 -7.948 422 HB2 LEU 59 2HB LEU 59 -3.396 4.677 -6.235 423 HB3 LEU 59 1HB LEU 59 -3.128 6.065 -7.289 424 HG LEU 59 HG LEU 59 -4.262 4.763 -9.138 425 HD11 LEU 59 1HD1 LEU 59 -4.962 2.958 -6.801 426 HD12 LEU 59 2HD1 LEU 59 -3.990 2.518 -8.206 427 HD13 LEU 59 3HD1 LEU 59 -5.707 2.872 -8.398 428 HD21 LEU 59 3HD2 LEU 59 -6.444 5.397 -8.428 429 HD22 LEU 59 1HD2 LEU 59 -5.358 6.495 -7.581 430 HD23 LEU 59 2HD2 LEU 59 -6.057 5.118 -6.731 Start of MODEL 17 1 H1 ARG 1 1HT ARG 1 2.968 11.448 3.488 2 H2 ARG 1 2HT ARG 1 4.092 12.340 2.588 3 H3 ARG 1 3HT ARG 1 2.999 11.304 1.802 4 HA ARG 1 HA ARG 1 2.167 13.650 3.401 5 HB2 ARG 1 2HB ARG 1 1.732 13.842 0.526 6 HB3 ARG 1 1HB ARG 1 2.427 15.016 1.625 7 HG2 ARG 1 2HG ARG 1 4.142 14.521 0.064 8 HG3 ARG 1 1HG ARG 1 4.586 13.647 1.520 9 HD2 ARG 1 2HD ARG 1 4.214 11.585 0.556 10 HD3 ARG 1 1HD ARG 1 2.876 12.160 -0.422 11 HE ARG 1 HE ARG 1 4.929 11.678 -1.823 12 HH11 ARG 1 1HH1 ARG 1 6.674 13.477 -0.013 13 HH12 ARG 1 2HH1 ARG 1 6.870 14.855 -1.042 14 HH21 ARG 1 1HH2 ARG 1 4.298 13.954 -3.188 15 HH22 ARG 1 2HH2 ARG 1 5.526 15.125 -2.841 16 H ILE 2 H ILE 2 1.038 12.179 0.341 17 HA ILE 2 HA ILE 2 -1.400 11.276 1.825 18 HB ILE 2 HB ILE 2 -1.401 12.617 -0.889 19 HG12 ILE 2 2HG1 ILE 2 -2.940 14.002 1.041 20 HG13 ILE 2 1HG1 ILE 2 -1.387 13.621 1.787 21 HG21 ILE 2 1HG2 ILE 2 -3.646 12.109 -1.010 22 HG22 ILE 2 2HG2 ILE 2 -3.861 12.177 0.739 23 HG23 ILE 2 3HG2 ILE 2 -3.146 10.748 -0.007 24 HD11 ILE 2 3HD1 ILE 2 -0.215 14.983 0.383 25 HD12 ILE 2 1HD1 ILE 2 -1.773 15.785 0.193 26 HD13 ILE 2 2HD1 ILE 2 -1.240 14.600 -0.999 27 H CYS 3 H CYS 3 -1.385 9.102 1.625 28 HA CYS 3 HA CYS 3 -0.767 8.109 -1.115 29 HB2 CYS 3 2HB CYS 3 -0.199 6.658 1.489 30 HB3 CYS 3 1HB CYS 3 0.107 6.018 -0.121 31 H TYR 4 H TYR 4 -1.855 5.883 -1.530 32 HA TYR 4 HA TYR 4 -4.654 6.190 -0.827 33 HB2 TYR 4 2HB TYR 4 -3.120 4.318 -2.562 34 HB3 TYR 4 1HB TYR 4 -4.686 3.786 -1.970 35 HD1 TYR 4 1HD TYR 4 -6.416 5.989 -1.928 36 HD2 TYR 4 2HD TYR 4 -3.252 5.202 -4.722 37 HE1 TYR 4 1HE TYR 4 -7.561 7.395 -3.618 38 HE2 TYR 4 2HE TYR 4 -4.397 6.608 -6.413 39 HH TYR 4 HH TYR 4 -7.095 7.293 -6.712 40 H ASN 5 H ASN 5 -5.884 4.694 0.410 41 HA ASN 5 HA ASN 5 -4.227 3.216 2.397 42 HB2 ASN 5 2HB ASN 5 -5.306 4.820 3.651 43 HB3 ASN 5 1HB ASN 5 -6.721 4.850 2.603 44 HD21 ASN 5 1HD2 ASN 5 -5.208 1.953 4.021 45 HD22 ASN 5 2HD2 ASN 5 -6.558 1.494 4.927 46 H HIS 6 H HIS 6 -7.137 2.934 0.321 47 HA HIS 6 HA HIS 6 -8.008 0.520 1.537 48 HB2 HIS 6 2HB HIS 6 -9.078 2.060 -0.401 49 HB3 HIS 6 1HB HIS 6 -8.623 0.631 -1.310 50 HD1 HIS 6 1HD HIS 6 -10.510 1.523 1.877 51 HD2 HIS 6 2HD HIS 6 -10.352 -1.483 -1.009 52 HE1 HIS 6 1HE HIS 6 -12.410 -0.069 2.397 53 H LEU 7 H LEU 7 -8.145 -1.562 0.529 54 HA LEU 7 HA LEU 7 -5.462 -2.355 -0.487 55 HB2 LEU 7 2HB LEU 7 -6.705 -4.693 0.317 56 HB3 LEU 7 1HB LEU 7 -5.557 -3.762 1.276 57 HG LEU 7 HG LEU 7 -8.532 -3.199 1.290 58 HD11 LEU 7 1HD1 LEU 7 -8.719 -4.528 3.284 59 HD12 LEU 7 2HD1 LEU 7 -6.977 -4.798 3.335 60 HD13 LEU 7 3HD1 LEU 7 -7.948 -5.539 2.064 61 HD21 LEU 7 3HD2 LEU 7 -7.057 -2.587 3.697 62 HD22 LEU 7 1HD2 LEU 7 -7.956 -1.493 2.647 63 HD23 LEU 7 2HD2 LEU 7 -6.262 -1.847 2.309 64 H GLY 8 H GLY 8 -5.277 -3.887 -2.140 65 HA2 GLY 8 2HA GLY 8 -6.055 -5.327 -3.868 66 HA3 GLY 8 1HA GLY 8 -7.694 -4.754 -3.577 67 H THR 9 H THR 9 -6.714 -4.918 -6.173 68 HA THR 9 HA THR 9 -5.515 -2.475 -7.106 69 HB THR 9 HB THR 9 -7.032 -3.568 -9.216 70 HG1 THR 9 1HG THR 9 -7.460 -5.353 -7.899 71 HG21 THR 9 3HG2 THR 9 -4.209 -4.360 -8.516 72 HG22 THR 9 1HG2 THR 9 -4.600 -2.720 -9.034 73 HG23 THR 9 2HG2 THR 9 -4.907 -4.082 -10.111 74 H LYS 10 H LYS 10 -8.692 -3.173 -6.038 75 HA LYS 10 HA LYS 10 -10.248 -1.478 -7.711 76 HB2 LYS 10 2HB LYS 10 -11.595 -1.163 -5.478 77 HB3 LYS 10 1HB LYS 10 -11.511 -2.767 -6.204 78 HG2 LYS 10 2HG LYS 10 -9.970 -3.540 -4.625 79 HG3 LYS 10 1HG LYS 10 -9.431 -1.911 -4.211 80 HD2 LYS 10 2HD LYS 10 -11.093 -1.613 -2.695 81 HD3 LYS 10 1HD LYS 10 -12.297 -2.387 -3.724 82 HE2 LYS 10 2HE LYS 10 -10.162 -4.060 -2.435 83 HE3 LYS 10 1HE LYS 10 -11.564 -3.559 -1.490 84 HZ1 LYS 10 3HZ LYS 10 -12.139 -4.601 -4.134 85 HZ2 LYS 10 1HZ LYS 10 -12.937 -4.872 -2.662 86 HZ3 LYS 10 2HZ LYS 10 -11.518 -5.731 -3.029 87 HA PRO 11 HA PRO 11 -8.953 2.569 -6.599 88 HB2 PRO 11 2HB PRO 11 -11.348 3.923 -6.430 89 HB3 PRO 11 1HB PRO 11 -10.588 3.453 -7.960 90 HG2 PRO 11 2HG PRO 11 -12.922 2.212 -6.558 91 HG3 PRO 11 1HG PRO 11 -12.568 2.294 -8.292 92 HD2 PRO 11 2HD PRO 11 -12.175 0.037 -6.687 93 HD3 PRO 11 1HD PRO 11 -11.396 0.311 -8.259 94 HA PRO 12 HA PRO 12 -9.564 2.136 -2.162 95 HB2 PRO 12 2HB PRO 12 -7.079 3.121 -1.504 96 HB3 PRO 12 1HB PRO 12 -7.344 1.451 -2.010 97 HG2 PRO 12 2HG PRO 12 -6.109 3.660 -3.494 98 HG3 PRO 12 1HG PRO 12 -5.915 1.924 -3.723 99 HD2 PRO 12 2HD PRO 12 -7.525 3.677 -5.301 100 HD3 PRO 12 1HD PRO 12 -7.475 1.905 -5.394 101 H THR 13 H THR 13 -8.762 3.893 -0.308 102 HA THR 13 HA THR 13 -9.720 6.556 -1.308 103 HB THR 13 HB THR 13 -10.562 6.941 0.985 104 HG1 THR 13 1HG THR 13 -9.717 4.268 1.410 105 HG21 THR 13 3HG2 THR 13 -12.511 5.841 0.569 106 HG22 THR 13 1HG2 THR 13 -11.714 4.274 0.435 107 HG23 THR 13 2HG2 THR 13 -11.711 5.385 -0.934 108 H THR 14 H THR 14 -8.135 8.111 -1.231 109 HA THR 14 HA THR 14 -5.539 7.588 -0.294 110 HB THR 14 HB THR 14 -5.364 10.171 -0.157 111 HG1 THR 14 1HG THR 14 -7.105 11.235 -0.680 112 HG21 THR 14 3HG2 THR 14 -4.472 9.820 -2.172 113 HG22 THR 14 1HG2 THR 14 -6.078 9.703 -2.891 114 HG23 THR 14 2HG2 THR 14 -5.296 8.262 -2.242 115 H GLU 15 H GLU 15 -4.429 8.092 1.527 116 HA GLU 15 HA GLU 15 -5.965 9.074 3.880 117 HB2 GLU 15 2HB GLU 15 -4.543 6.450 3.576 118 HB3 GLU 15 1HB GLU 15 -4.480 7.260 5.138 119 HG2 GLU 15 2HG GLU 15 -6.958 6.375 3.636 120 HG3 GLU 15 1HG GLU 15 -6.378 5.780 5.190 121 H THR 16 H THR 16 -4.829 10.905 4.356 122 HA THR 16 HA THR 16 -2.084 11.273 3.607 123 HB THR 16 HB THR 16 -2.537 13.061 5.689 124 HG1 THR 16 1HG THR 16 -4.668 12.188 5.853 125 HG21 THR 16 3HG2 THR 16 -3.130 13.165 2.737 126 HG22 THR 16 1HG2 THR 16 -1.733 13.814 3.592 127 HG23 THR 16 2HG2 THR 16 -3.310 14.581 3.772 128 H CYS 17 H CYS 17 -0.232 10.865 4.748 129 HA CYS 17 HA CYS 17 -0.474 10.010 7.589 130 HB2 CYS 17 2HB CYS 17 1.191 8.460 5.597 131 HB3 CYS 17 1HB CYS 17 0.766 8.001 7.246 132 H GLN 18 H GLN 18 2.175 9.352 8.031 133 HA GLN 18 HA GLN 18 3.448 12.003 7.680 134 HB2 GLN 18 2HB GLN 18 3.469 10.945 9.913 135 HB3 GLN 18 1HB GLN 18 4.376 9.589 9.253 136 HG2 GLN 18 2HG GLN 18 5.847 11.322 10.323 137 HG3 GLN 18 1HG GLN 18 6.215 11.036 8.626 138 HE21 GLN 18 1HE2 GLN 18 5.383 12.655 7.034 139 HE22 GLN 18 2HE2 GLN 18 5.042 14.239 7.535 140 H GLU 19 H GLU 19 4.054 8.591 6.999 141 HA GLU 19 HA GLU 19 6.627 9.049 5.802 142 HB2 GLU 19 2HB GLU 19 5.194 6.808 4.609 143 HB3 GLU 19 1HB GLU 19 6.705 6.813 5.508 144 HG2 GLU 19 2HG GLU 19 5.147 7.186 7.591 145 HG3 GLU 19 1HG GLU 19 3.900 6.517 6.537 146 H ASP 20 H ASP 20 7.077 9.931 3.875 147 HA ASP 20 HA ASP 20 4.891 10.765 2.132 148 HB2 ASP 20 2HB ASP 20 7.420 11.002 0.785 149 HB3 ASP 20 1HB ASP 20 6.370 12.282 1.381 150 H SER 21 H SER 21 6.536 7.905 2.581 151 HA SER 21 HA SER 21 6.558 7.122 -0.229 152 HB2 SER 21 2HB SER 21 6.750 5.132 1.995 153 HB3 SER 21 1HB SER 21 7.627 5.177 0.474 154 HG SER 21 HG SER 21 8.671 5.841 2.625 155 H CYS 22 H CYS 22 5.291 4.928 -0.674 156 HA CYS 22 HA CYS 22 2.750 4.825 0.855 157 HB2 CYS 22 2HB CYS 22 2.716 4.881 -2.167 158 HB3 CYS 22 1HB CYS 22 1.354 5.033 -1.061 159 H TYR 23 H TYR 23 2.233 2.665 1.193 160 HA TYR 23 HA TYR 23 3.804 0.742 -0.441 161 HB2 TYR 23 2HB TYR 23 3.588 -0.861 1.319 162 HB3 TYR 23 1HB TYR 23 4.080 0.652 2.057 163 HD1 TYR 23 1HD TYR 23 1.033 -1.365 1.241 164 HD2 TYR 23 2HD TYR 23 2.827 1.564 3.820 165 HE1 TYR 23 1HE TYR 23 -0.954 -1.450 2.719 166 HE2 TYR 23 2HE TYR 23 0.837 1.480 5.295 167 HH TYR 23 HH TYR 23 -1.122 -0.677 5.619 168 H LYS 24 H LYS 24 2.867 -0.607 -1.727 169 HA LYS 24 HA LYS 24 -0.085 -1.040 -1.633 170 HB2 LYS 24 2HB LYS 24 0.147 -0.944 -4.215 171 HB3 LYS 24 1HB LYS 24 0.102 0.578 -3.335 172 HG2 LYS 24 2HG LYS 24 2.266 1.037 -3.761 173 HG3 LYS 24 1HG LYS 24 2.762 -0.628 -3.542 174 HD2 LYS 24 2HD LYS 24 2.942 -0.792 -5.763 175 HD3 LYS 24 1HD LYS 24 1.182 -0.676 -5.831 176 HE2 LYS 24 2HE LYS 24 1.229 1.480 -6.561 177 HE3 LYS 24 1HE LYS 24 2.552 1.912 -5.479 178 HZ1 LYS 24 3HZ LYS 24 4.127 1.027 -6.964 179 HZ2 LYS 24 1HZ LYS 24 3.073 1.947 -7.922 180 HZ3 LYS 24 2HZ LYS 24 2.942 0.252 -7.903 181 H ASN 25 H ASN 25 1.011 -2.920 -0.590 182 HA ASN 25 HA ASN 25 1.988 -4.888 -2.607 183 HB2 ASN 25 2HB ASN 25 2.873 -6.024 -0.407 184 HB3 ASN 25 1HB ASN 25 3.707 -4.645 -1.096 185 HD21 ASN 25 1HD2 ASN 25 2.921 -2.421 -0.191 186 HD22 ASN 25 2HD2 ASN 25 2.573 -2.379 1.474 187 H ILE 26 H ILE 26 1.591 -7.244 -1.792 188 HA ILE 26 HA ILE 26 -1.293 -7.614 -1.655 189 HB ILE 26 HB ILE 26 -0.826 -9.874 -2.124 190 HG12 ILE 26 2HG1 ILE 26 1.834 -9.305 -0.791 191 HG13 ILE 26 1HG1 ILE 26 0.600 -10.462 -0.290 192 HG21 ILE 26 1HG2 ILE 26 0.556 -9.727 -4.006 193 HG22 ILE 26 2HG2 ILE 26 1.703 -8.656 -3.202 194 HG23 ILE 26 3HG2 ILE 26 0.144 -8.033 -3.741 195 HD11 ILE 26 3HD1 ILE 26 2.632 -10.662 -2.445 196 HD12 ILE 26 1HD1 ILE 26 1.056 -11.388 -2.756 197 HD13 ILE 26 2HD1 ILE 26 2.008 -11.910 -1.365 198 H TRP 27 H TRP 27 1.421 -8.140 0.577 199 HA TRP 27 HA TRP 27 0.216 -9.665 2.556 200 HB2 TRP 27 2HB TRP 27 1.925 -7.200 2.965 201 HB3 TRP 27 1HB TRP 27 1.622 -8.435 4.190 202 HD1 TRP 27 HD TRP 27 3.424 -7.896 0.856 203 HE1 TRP 27 1HE TRP 27 5.119 -9.809 0.507 204 HE3 TRP 27 3HE TRP 27 2.203 -10.878 4.820 205 HZ2 TRP 27 2HZ TRP 27 5.855 -12.284 1.754 206 HZ3 TRP 27 3HZ TRP 27 3.414 -13.004 5.214 207 HH2 TRP 27 HH TRP 27 5.237 -13.709 3.689 208 H THR 28 H THR 28 -1.913 -9.387 3.085 209 HA THR 28 HA THR 28 -2.659 -6.943 4.532 210 HB THR 28 HB THR 28 -3.064 -6.507 2.055 211 HG1 THR 28 1HG THR 28 -4.847 -5.410 2.565 212 HG21 THR 28 3HG2 THR 28 -5.430 -8.335 2.373 213 HG22 THR 28 1HG2 THR 28 -3.888 -8.960 1.789 214 HG23 THR 28 2HG2 THR 28 -4.720 -7.689 0.895 215 H PHE 29 H PHE 29 -5.539 -7.599 4.102 216 HA PHE 29 HA PHE 29 -6.095 -9.167 6.314 217 HB2 PHE 29 2HB PHE 29 -7.738 -7.910 4.786 218 HB3 PHE 29 1HB PHE 29 -7.765 -9.376 3.804 219 HD1 PHE 29 1HD PHE 29 -8.317 -8.088 7.256 220 HD2 PHE 29 2HD PHE 29 -9.053 -11.261 4.457 221 HE1 PHE 29 1HE PHE 29 -9.925 -9.113 8.841 222 HE2 PHE 29 2HE PHE 29 -10.661 -12.287 6.042 223 HZ PHE 29 HZ PHE 29 -11.097 -11.213 8.235 224 H ASP 30 H ASP 30 -6.556 -10.575 3.057 225 HA ASP 30 HA ASP 30 -5.277 -13.066 4.100 226 HB2 ASP 30 2HB ASP 30 -8.005 -12.715 3.466 227 HB3 ASP 30 1HB ASP 30 -7.315 -13.633 2.127 228 H ASN 31 H ASN 31 -6.631 -11.892 0.991 229 HA ASN 31 HA ASN 31 -3.933 -12.227 -0.212 230 HB2 ASN 31 2HB ASN 31 -6.423 -13.730 -0.933 231 HB3 ASN 31 1HB ASN 31 -5.307 -13.275 -2.222 232 HD21 ASN 31 1HD2 ASN 31 -5.963 -15.770 -0.114 233 HD22 ASN 31 2HD2 ASN 31 -4.416 -16.460 -0.008 234 H ILE 32 H ILE 32 -4.535 -9.761 0.136 235 HA ILE 32 HA ILE 32 -5.596 -8.829 -2.484 236 HB ILE 32 HB ILE 32 -6.463 -7.848 0.241 237 HG12 ILE 32 2HG1 ILE 32 -8.240 -8.397 -2.079 238 HG13 ILE 32 1HG1 ILE 32 -7.576 -9.775 -1.195 239 HG21 ILE 32 1HG2 ILE 32 -6.821 -6.556 -2.470 240 HG22 ILE 32 2HG2 ILE 32 -5.968 -5.884 -1.084 241 HG23 ILE 32 3HG2 ILE 32 -7.714 -6.093 -1.023 242 HD11 ILE 32 3HD1 ILE 32 -9.613 -7.816 -0.347 243 HD12 ILE 32 1HD1 ILE 32 -8.364 -8.131 0.858 244 HD13 ILE 32 2HD1 ILE 32 -9.331 -9.461 0.222 245 H ILE 33 H ILE 33 -5.006 -6.508 -2.834 246 HA ILE 33 HA ILE 33 -2.203 -6.103 -2.020 247 HB ILE 33 HB ILE 33 -3.873 -4.162 -3.618 248 HG12 ILE 33 2HG1 ILE 33 -4.260 -6.399 -4.551 249 HG13 ILE 33 1HG1 ILE 33 -3.245 -5.449 -5.638 250 HG21 ILE 33 1HG2 ILE 33 -1.870 -3.154 -3.774 251 HG22 ILE 33 2HG2 ILE 33 -1.283 -4.557 -4.669 252 HG23 ILE 33 3HG2 ILE 33 -1.090 -4.485 -2.918 253 HD11 ILE 33 3HD1 ILE 33 -1.605 -6.835 -3.703 254 HD12 ILE 33 1HD1 ILE 33 -1.570 -6.945 -5.463 255 HD13 ILE 33 2HD1 ILE 33 -2.657 -7.982 -4.535 256 H ARG 34 H ARG 34 -1.582 -3.885 -1.073 257 HA ARG 34 HA ARG 34 -3.863 -2.622 0.334 258 HB2 ARG 34 2HB ARG 34 -2.556 -4.372 1.786 259 HB3 ARG 34 1HB ARG 34 -1.388 -3.056 1.935 260 HG2 ARG 34 2HG ARG 34 -2.925 -1.634 2.998 261 HG3 ARG 34 1HG ARG 34 -4.301 -2.486 2.321 262 HD2 ARG 34 2HD ARG 34 -4.363 -3.251 4.514 263 HD3 ARG 34 1HD ARG 34 -3.384 -4.503 3.752 264 HE ARG 34 HE ARG 34 -1.380 -3.094 4.579 265 HH11 ARG 34 1HH2 ARG 34 -3.892 -1.478 5.839 266 HH12 ARG 34 2HH2 ARG 34 -3.563 -1.803 7.509 267 HH21 ARG 34 1HH1 ARG 34 -1.199 -4.249 6.839 268 HH22 ARG 34 2HH1 ARG 34 -2.038 -3.373 8.074 269 H ARG 35 H ARG 35 -3.795 -0.633 -0.349 270 HA ARG 35 HA ARG 35 -1.229 0.700 -0.938 271 HB2 ARG 35 2HB ARG 35 -4.093 1.628 -1.267 272 HB3 ARG 35 1HB ARG 35 -2.680 2.556 -1.748 273 HG2 ARG 35 2HG ARG 35 -3.100 1.510 -3.755 274 HG3 ARG 35 1HG ARG 35 -2.090 0.270 -3.014 275 HD2 ARG 35 2HD ARG 35 -4.221 -0.773 -2.115 276 HD3 ARG 35 1HD ARG 35 -5.114 0.351 -3.135 277 HE ARG 35 HE ARG 35 -3.594 -1.981 -4.054 278 HH11 ARG 35 1HH1 ARG 35 -6.070 0.097 -4.773 279 HH12 ARG 35 2HH1 ARG 35 -5.742 0.218 -6.470 280 HH21 ARG 35 1HH2 ARG 35 -2.683 -1.408 -6.262 281 HH22 ARG 35 2HH2 ARG 35 -3.822 -0.635 -7.313 282 H GLY 36 H GLY 36 -0.224 1.752 0.690 283 HA2 GLY 36 2HA GLY 36 -1.877 3.276 2.630 284 HA3 GLY 36 1HA GLY 36 -0.722 2.108 3.266 285 H CYS 37 H CYS 37 0.235 4.098 4.286 286 HA CYS 37 HA CYS 37 1.904 5.643 2.340 287 HB2 CYS 37 2HB CYS 37 1.520 6.496 5.193 288 HB3 CYS 37 1HB CYS 37 1.813 7.486 3.765 289 H GLY 38 H GLY 38 3.949 4.797 2.264 290 HA2 GLY 38 2HA GLY 38 6.070 4.708 3.626 291 HA3 GLY 38 1HA GLY 38 5.127 3.818 4.824 292 H CYS 39 H CYS 39 6.810 2.112 4.402 293 HA CYS 39 HA CYS 39 6.262 0.634 1.872 294 HB2 CYS 39 2HB CYS 39 8.569 0.284 3.815 295 HB3 CYS 39 1HB CYS 39 8.378 -0.524 2.256 296 H PHE 40 H PHE 40 7.023 -1.877 2.616 297 HA PHE 40 HA PHE 40 4.720 -2.709 4.238 298 HB2 PHE 40 2HB PHE 40 6.079 -5.029 3.735 299 HB3 PHE 40 1HB PHE 40 4.885 -4.335 2.642 300 HD1 PHE 40 1HD PHE 40 5.589 -2.949 0.732 301 HD2 PHE 40 2HD PHE 40 8.428 -4.968 3.235 302 HE1 PHE 40 1HE PHE 40 7.352 -2.559 -0.967 303 HE2 PHE 40 2HE PHE 40 10.199 -4.587 1.531 304 HZ PHE 40 HZ PHE 40 9.661 -3.383 -0.572 305 H THR 41 H THR 41 5.351 -4.705 5.757 306 HA THR 41 HA THR 41 7.177 -3.520 7.736 307 HB THR 41 HB THR 41 5.658 -6.057 8.227 308 HG1 THR 41 1HG THR 41 4.068 -4.774 7.462 309 HG21 THR 41 3HG2 THR 41 6.232 -3.679 9.996 310 HG22 THR 41 1HG2 THR 41 7.330 -5.050 9.841 311 HG23 THR 41 2HG2 THR 41 5.708 -5.289 10.488 312 HA PRO 42 HA PRO 42 9.334 -7.673 7.248 313 HB2 PRO 42 2HB PRO 42 8.395 -9.472 5.396 314 HB3 PRO 42 1HB PRO 42 7.802 -9.390 7.063 315 HG2 PRO 42 2HG PRO 42 6.432 -8.592 4.570 316 HG3 PRO 42 1HG PRO 42 5.742 -8.908 6.170 317 HD2 PRO 42 2HD PRO 42 6.330 -6.359 4.955 318 HD3 PRO 42 1HD PRO 42 5.599 -6.646 6.546 319 H ARG 43 H ARG 43 9.811 -5.356 5.718 320 HA ARG 43 HA ARG 43 10.272 -5.722 2.968 321 HB2 ARG 43 2HB ARG 43 10.659 -3.548 3.707 322 HB3 ARG 43 1HB ARG 43 11.640 -4.062 5.071 323 HG2 ARG 43 2HG ARG 43 13.407 -4.787 3.451 324 HG3 ARG 43 1HG ARG 43 12.427 -4.128 2.140 325 HD2 ARG 43 2HD ARG 43 13.481 -2.548 4.504 326 HD3 ARG 43 1HD ARG 43 14.152 -2.512 2.873 327 HE ARG 43 HE ARG 43 11.843 -1.636 2.175 328 HH11 ARG 43 1HH2 ARG 43 11.948 -1.883 5.504 329 HH12 ARG 43 2HH2 ARG 43 11.540 -0.231 5.825 330 HH21 ARG 43 1HH1 ARG 43 11.814 0.758 2.513 331 HH22 ARG 43 2HH1 ARG 43 11.463 1.264 4.132 332 H GLY 44 H GLY 44 11.748 -6.853 1.808 333 HA2 GLY 44 2HA GLY 44 14.335 -7.568 2.578 334 HA3 GLY 44 1HA GLY 44 13.285 -8.885 3.099 335 H ASP 45 H ASP 45 14.766 -9.985 1.379 336 HA ASP 45 HA ASP 45 13.888 -9.422 -1.392 337 HB2 ASP 45 2HB ASP 45 16.284 -9.792 -1.015 338 HB3 ASP 45 1HB ASP 45 15.943 -11.374 -0.313 339 H MET 46 H MET 46 12.849 -11.347 1.169 340 HA MET 46 HA MET 46 12.175 -13.721 -0.356 341 HB2 MET 46 2HB MET 46 11.963 -12.861 2.390 342 HB3 MET 46 1HB MET 46 10.443 -13.579 1.854 343 HG2 MET 46 2HG MET 46 11.361 -15.656 1.596 344 HG3 MET 46 1HG MET 46 12.901 -15.016 1.025 345 HE1 MET 46 3HE MET 46 11.475 -15.864 5.257 346 HE2 MET 46 1HE MET 46 11.304 -16.932 3.857 347 HE3 MET 46 2HE MET 46 10.489 -15.370 3.883 348 HA PRO 47 HA PRO 47 7.850 -11.809 -0.593 349 HB2 PRO 47 2HB PRO 47 7.395 -9.411 0.664 350 HB3 PRO 47 1HB PRO 47 7.228 -10.974 1.472 351 HG2 PRO 47 2HG PRO 47 9.363 -8.931 1.784 352 HG3 PRO 47 1HG PRO 47 8.848 -10.196 2.911 353 HD2 PRO 47 2HD PRO 47 11.136 -10.255 1.204 354 HD3 PRO 47 1HD PRO 47 10.515 -11.585 2.197 355 H GLY 48 H GLY 48 6.880 -10.055 -2.012 356 HA2 GLY 48 2HA GLY 48 8.934 -8.233 -3.123 357 HA3 GLY 48 1HA GLY 48 8.001 -9.251 -4.210 358 HA PRO 49 HA PRO 49 4.762 -6.242 -2.498 359 HB2 PRO 49 2HB PRO 49 5.387 -4.726 -0.315 360 HB3 PRO 49 1HB PRO 49 4.734 -6.361 -0.191 361 HG2 PRO 49 2HG PRO 49 7.515 -5.421 0.297 362 HG3 PRO 49 1HG PRO 49 6.673 -6.825 0.968 363 HD2 PRO 49 2HD PRO 49 8.562 -6.863 -1.151 364 HD3 PRO 49 1HD PRO 49 7.499 -8.187 -0.655 365 H TYR 50 H TYR 50 4.588 -3.589 -2.229 366 HA TYR 50 HA TYR 50 6.976 -2.445 -3.599 367 HB2 TYR 50 2HB TYR 50 4.249 -2.693 -4.588 368 HB3 TYR 50 1HB TYR 50 4.809 -1.019 -4.600 369 HD1 TYR 50 2HD TYR 50 5.576 -4.461 -5.771 370 HD2 TYR 50 1HD TYR 50 6.543 -0.286 -6.083 371 HE1 TYR 50 2HE TYR 50 6.977 -4.933 -7.762 372 HE2 TYR 50 1HE TYR 50 7.943 -0.760 -8.073 373 HH TYR 50 HH TYR 50 7.750 -3.196 -9.918 374 H CYS 51 H CYS 51 7.383 -0.280 -3.275 375 HA CYS 51 HA CYS 51 5.775 1.253 -1.251 376 HB2 CYS 51 2HB CYS 51 7.967 0.087 -0.336 377 HB3 CYS 51 1HB CYS 51 8.787 1.329 -1.274 378 H CYS 52 H CYS 52 5.711 3.428 -1.846 379 HA CYS 52 HA CYS 52 7.433 4.248 -4.142 380 HB2 CYS 52 2HB CYS 52 5.200 3.659 -5.010 381 HB3 CYS 52 1HB CYS 52 4.467 4.825 -3.919 382 H GLU 53 H GLU 53 7.595 6.582 -4.345 383 HA GLU 53 HA GLU 53 7.098 7.948 -1.736 384 HB2 GLU 53 2HB GLU 53 9.314 8.756 -3.606 385 HB3 GLU 53 1HB GLU 53 9.165 9.045 -1.871 386 HG2 GLU 53 2HG GLU 53 10.538 7.255 -1.643 387 HG3 GLU 53 1HG GLU 53 9.100 6.298 -1.998 388 H SER 54 H SER 54 5.005 8.314 -3.043 389 HA SER 54 HA SER 54 5.102 11.047 -4.066 390 HB2 SER 54 2HB SER 54 3.620 9.573 -6.034 391 HB3 SER 54 1HB SER 54 5.028 10.604 -6.274 392 HG SER 54 HG SER 54 6.306 8.892 -6.214 393 H ASP 55 H ASP 55 2.969 11.980 -3.991 394 HA ASP 55 HA ASP 55 1.220 10.662 -2.128 395 HB2 ASP 55 2HB ASP 55 0.179 12.846 -3.872 396 HB3 ASP 55 1HB ASP 55 -0.038 12.592 -2.144 397 H LYS 56 H LYS 56 -0.614 9.496 -2.497 398 HA LYS 56 HA LYS 56 -2.085 8.099 -3.690 399 HB2 LYS 56 2HB LYS 56 -2.996 10.256 -4.443 400 HB3 LYS 56 1HB LYS 56 -1.791 10.327 -5.728 401 HG2 LYS 56 2HG LYS 56 -3.020 7.801 -5.960 402 HG3 LYS 56 1HG LYS 56 -4.329 8.954 -5.706 403 HD2 LYS 56 2HD LYS 56 -2.658 10.269 -7.490 404 HD3 LYS 56 1HD LYS 56 -2.597 8.594 -8.036 405 HE2 LYS 56 2HE LYS 56 -4.487 9.324 -9.163 406 HE3 LYS 56 1HE LYS 56 -5.218 8.723 -7.673 407 HZ1 LYS 56 3HZ LYS 56 -4.819 11.472 -8.573 408 HZ2 LYS 56 1HZ LYS 56 -4.683 11.172 -6.909 409 HZ3 LYS 56 2HZ LYS 56 -6.122 10.785 -7.727 410 H CYS 57 H CYS 57 0.729 7.528 -3.891 411 HA CYS 57 HA CYS 57 1.241 6.914 -6.723 412 HB2 CYS 57 2HB CYS 57 2.972 7.643 -4.932 413 HB3 CYS 57 1HB CYS 57 2.915 5.961 -4.411 414 H ASN 58 H ASN 58 0.167 5.174 -3.839 415 HA ASN 58 HA ASN 58 0.737 2.539 -4.412 416 HB2 ASN 58 2HB ASN 58 -2.119 3.090 -3.781 417 HB3 ASN 58 1HB ASN 58 -1.012 1.944 -3.042 418 HD21 ASN 58 1HD2 ASN 58 -0.380 2.503 -0.996 419 HD22 ASN 58 2HD2 ASN 58 -0.408 4.072 -0.345 420 H LEU 59 H LEU 59 -1.407 4.655 -6.185 421 HA LEU 59 HA LEU 59 -2.328 2.351 -7.813 422 HB2 LEU 59 2HB LEU 59 -3.395 5.013 -7.153 423 HB3 LEU 59 1HB LEU 59 -3.565 4.582 -8.856 424 HG LEU 59 HG LEU 59 -5.531 3.798 -7.657 425 HD11 LEU 59 1HD1 LEU 59 -4.243 1.180 -7.852 426 HD12 LEU 59 2HD1 LEU 59 -3.876 2.213 -9.234 427 HD13 LEU 59 3HD1 LEU 59 -5.553 1.859 -8.819 428 HD21 LEU 59 3HD2 LEU 59 -5.474 2.670 -5.641 429 HD22 LEU 59 1HD2 LEU 59 -3.979 3.587 -5.475 430 HD23 LEU 59 2HD2 LEU 59 -3.927 1.903 -5.992 Start of MODEL 18 1 H1 ARG 1 1HT ARG 1 2.270 11.312 3.349 2 H2 ARG 1 2HT ARG 1 3.149 12.674 3.853 3 H3 ARG 1 3HT ARG 1 3.506 11.932 2.372 4 HA ARG 1 HA ARG 1 1.445 13.814 3.074 5 HB2 ARG 1 2HB ARG 1 1.797 14.590 0.838 6 HB3 ARG 1 1HB ARG 1 3.378 14.188 1.491 7 HG2 ARG 1 2HG ARG 1 1.883 12.140 -0.098 8 HG3 ARG 1 1HG ARG 1 2.716 13.426 -0.918 9 HD2 ARG 1 2HD ARG 1 4.583 12.250 -0.777 10 HD3 ARG 1 1HD ARG 1 4.557 12.482 0.964 11 HE ARG 1 HE ARG 1 4.404 10.003 -0.144 12 HH11 ARG 1 1HH2 ARG 1 1.377 10.562 -0.284 13 HH12 ARG 1 2HH2 ARG 1 0.840 9.894 1.207 14 HH21 ARG 1 1HH1 ARG 1 3.984 9.572 2.537 15 HH22 ARG 1 2HH1 ARG 1 2.294 9.325 2.774 16 H ILE 2 H ILE 2 0.339 13.075 0.122 17 HA ILE 2 HA ILE 2 -1.826 11.415 1.293 18 HB ILE 2 HB ILE 2 -1.529 12.845 -1.347 19 HG12 ILE 2 2HG1 ILE 2 -3.753 13.779 -0.161 20 HG13 ILE 2 1HG1 ILE 2 -2.873 13.221 1.265 21 HG21 ILE 2 1HG2 ILE 2 -3.980 12.174 -1.625 22 HG22 ILE 2 2HG2 ILE 2 -3.692 10.966 -0.371 23 HG23 ILE 2 3HG2 ILE 2 -2.800 10.891 -1.891 24 HD11 ILE 2 3HD1 ILE 2 -1.143 14.740 0.970 25 HD12 ILE 2 1HD1 ILE 2 -2.502 15.679 0.353 26 HD13 ILE 2 2HD1 ILE 2 -1.412 14.864 -0.769 27 H CYS 3 H CYS 3 -1.368 9.206 1.321 28 HA CYS 3 HA CYS 3 -0.069 8.113 -1.098 29 HB2 CYS 3 2HB CYS 3 -0.773 6.720 1.499 30 HB3 CYS 3 1HB CYS 3 0.047 5.960 0.149 31 H TYR 4 H TYR 4 -1.055 5.684 -1.497 32 HA TYR 4 HA TYR 4 -3.900 6.207 -2.195 33 HB2 TYR 4 2HB TYR 4 -1.732 4.823 -3.479 34 HB3 TYR 4 1HB TYR 4 -3.031 3.676 -3.171 35 HD1 TYR 4 2HD TYR 4 -5.423 4.358 -3.880 36 HD2 TYR 4 1HD TYR 4 -1.876 6.362 -5.240 37 HE1 TYR 4 2HE TYR 4 -6.683 5.301 -5.794 38 HE2 TYR 4 1HE TYR 4 -3.134 7.305 -7.151 39 HH TYR 4 HH TYR 4 -6.633 6.808 -7.465 40 H ASN 5 H ASN 5 -5.532 5.007 -1.278 41 HA ASN 5 HA ASN 5 -4.726 2.965 0.747 42 HB2 ASN 5 2HB ASN 5 -5.729 4.887 1.829 43 HB3 ASN 5 1HB ASN 5 -7.084 4.875 0.704 44 HD21 ASN 5 1HD2 ASN 5 -5.808 1.830 1.924 45 HD22 ASN 5 2HD2 ASN 5 -7.129 1.474 2.923 46 H HIS 6 H HIS 6 -5.376 2.664 -2.209 47 HA HIS 6 HA HIS 6 -7.967 1.477 -2.462 48 HB2 HIS 6 2HB HIS 6 -7.203 1.782 -4.566 49 HB3 HIS 6 1HB HIS 6 -5.531 1.686 -4.084 50 HD1 HIS 6 1HD HIS 6 -7.598 0.118 -6.338 51 HD2 HIS 6 2HD HIS 6 -5.184 -1.446 -3.323 52 HE1 HIS 6 1HE HIS 6 -7.115 -2.279 -6.977 53 H LEU 7 H LEU 7 -8.684 -0.566 -2.071 54 HA LEU 7 HA LEU 7 -6.791 -2.381 -0.642 55 HB2 LEU 7 2HB LEU 7 -9.730 -1.860 -0.435 56 HB3 LEU 7 1HB LEU 7 -9.131 -3.464 -0.016 57 HG LEU 7 HG LEU 7 -9.239 -1.827 1.915 58 HD11 LEU 7 1HD1 LEU 7 -7.830 -3.487 2.568 59 HD12 LEU 7 2HD1 LEU 7 -6.563 -2.293 2.288 60 HD13 LEU 7 3HD1 LEU 7 -6.954 -3.474 1.038 61 HD21 LEU 7 3HD2 LEU 7 -8.364 0.066 0.378 62 HD22 LEU 7 1HD2 LEU 7 -6.767 -0.625 0.668 63 HD23 LEU 7 2HD2 LEU 7 -7.723 -0.016 2.018 64 H GLY 8 H GLY 8 -6.017 -4.010 -1.923 65 HA2 GLY 8 2HA GLY 8 -5.945 -5.419 -3.846 66 HA3 GLY 8 1HA GLY 8 -7.251 -6.156 -2.932 67 H THR 9 H THR 9 -8.975 -6.568 -4.208 68 HA THR 9 HA THR 9 -9.379 -4.979 -6.669 69 HB THR 9 HB THR 9 -9.521 -7.472 -6.715 70 HG1 THR 9 1HG THR 9 -11.867 -7.337 -7.558 71 HG21 THR 9 3HG2 THR 9 -12.171 -7.256 -5.326 72 HG22 THR 9 1HG2 THR 9 -10.699 -7.393 -4.363 73 HG23 THR 9 2HG2 THR 9 -11.122 -8.660 -5.514 74 H LYS 10 H LYS 10 -10.029 -4.068 -3.787 75 HA LYS 10 HA LYS 10 -12.954 -3.702 -3.944 76 HB2 LYS 10 2HB LYS 10 -11.236 -2.295 -1.925 77 HB3 LYS 10 1HB LYS 10 -12.831 -3.023 -1.726 78 HG2 LYS 10 2HG LYS 10 -11.180 -5.170 -2.427 79 HG3 LYS 10 1HG LYS 10 -10.213 -4.216 -1.306 80 HD2 LYS 10 2HD LYS 10 -11.468 -5.718 0.053 81 HD3 LYS 10 1HD LYS 10 -12.273 -4.156 0.202 82 HE2 LYS 10 2HE LYS 10 -14.158 -4.913 -0.794 83 HE3 LYS 10 1HE LYS 10 -13.254 -5.731 -2.067 84 HZ1 LYS 10 3HZ LYS 10 -12.667 -7.343 -0.117 85 HZ2 LYS 10 1HZ LYS 10 -14.129 -7.503 -0.961 86 HZ3 LYS 10 2HZ LYS 10 -14.105 -6.732 0.553 87 HA PRO 11 HA PRO 11 -12.797 0.421 -5.497 88 HB2 PRO 11 2HB PRO 11 -13.761 2.162 -3.591 89 HB3 PRO 11 1HB PRO 11 -14.782 1.060 -4.532 90 HG2 PRO 11 2HG PRO 11 -13.939 0.863 -1.683 91 HG3 PRO 11 1HG PRO 11 -15.370 0.188 -2.478 92 HD2 PRO 11 2HD PRO 11 -13.027 -1.227 -1.782 93 HD3 PRO 11 1HD PRO 11 -14.318 -1.818 -2.851 94 HA PRO 12 HA PRO 12 -8.861 1.930 -4.132 95 HB2 PRO 12 2HB PRO 12 -8.433 3.608 -6.267 96 HB3 PRO 12 1HB PRO 12 -8.200 1.855 -6.334 97 HG2 PRO 12 2HG PRO 12 -10.412 3.499 -7.468 98 HG3 PRO 12 1HG PRO 12 -9.797 1.926 -8.002 99 HD2 PRO 12 2HD PRO 12 -12.152 2.357 -6.491 100 HD3 PRO 12 1HD PRO 12 -11.346 0.794 -6.746 101 H THR 13 H THR 13 -8.457 3.508 -2.666 102 HA THR 13 HA THR 13 -9.549 6.228 -3.157 103 HB THR 13 HB THR 13 -11.173 5.919 -1.608 104 HG1 THR 13 1HG THR 13 -9.932 7.090 -0.275 105 HG21 THR 13 3HG2 THR 13 -11.086 3.974 0.038 106 HG22 THR 13 1HG2 THR 13 -9.606 3.471 -0.777 107 HG23 THR 13 2HG2 THR 13 -11.127 3.529 -1.668 108 H THR 14 H THR 14 -8.148 7.836 -2.389 109 HA THR 14 HA THR 14 -5.546 6.831 -1.371 110 HB THR 14 HB THR 14 -4.930 9.339 -1.762 111 HG1 THR 14 1HG THR 14 -6.737 10.348 -2.237 112 HG21 THR 14 3HG2 THR 14 -3.847 8.107 -3.316 113 HG22 THR 14 1HG2 THR 14 -5.132 8.629 -4.406 114 HG23 THR 14 2HG2 THR 14 -5.243 7.068 -3.593 115 H GLU 15 H GLU 15 -4.494 8.127 0.369 116 HA GLU 15 HA GLU 15 -6.380 9.554 2.157 117 HB2 GLU 15 2HB GLU 15 -5.568 8.183 4.107 118 HB3 GLU 15 1HB GLU 15 -6.547 7.271 2.958 119 HG2 GLU 15 2HG GLU 15 -4.733 5.834 3.278 120 HG3 GLU 15 1HG GLU 15 -4.238 6.724 1.837 121 H THR 16 H THR 16 -4.968 10.303 4.189 122 HA THR 16 HA THR 16 -2.372 11.265 3.058 123 HB THR 16 HB THR 16 -3.381 12.769 5.353 124 HG1 THR 16 1HG THR 16 -5.331 13.094 4.702 125 HG21 THR 16 3HG2 THR 16 -2.166 14.319 4.274 126 HG22 THR 16 1HG2 THR 16 -3.243 14.229 2.881 127 HG23 THR 16 2HG2 THR 16 -1.857 13.146 2.994 128 H CYS 17 H CYS 17 -0.536 11.007 4.293 129 HA CYS 17 HA CYS 17 -0.835 9.915 7.046 130 HB2 CYS 17 2HB CYS 17 -0.385 8.235 4.951 131 HB3 CYS 17 1HB CYS 17 1.270 8.662 5.385 132 H GLN 18 H GLN 18 1.661 9.626 7.866 133 HA GLN 18 HA GLN 18 2.834 12.314 7.445 134 HB2 GLN 18 2HB GLN 18 2.545 11.489 9.765 135 HB3 GLN 18 1HB GLN 18 3.646 10.161 9.409 136 HG2 GLN 18 2HG GLN 18 4.783 12.136 10.484 137 HG3 GLN 18 1HG GLN 18 5.451 11.692 8.920 138 HE21 GLN 18 1HE2 GLN 18 4.779 13.034 7.017 139 HE22 GLN 18 2HE2 GLN 18 4.246 14.627 7.250 140 H GLU 19 H GLU 19 3.768 8.897 7.309 141 HA GLU 19 HA GLU 19 6.463 9.429 6.462 142 HB2 GLU 19 2HB GLU 19 5.440 7.008 5.223 143 HB3 GLU 19 1HB GLU 19 6.710 7.168 6.425 144 HG2 GLU 19 2HG GLU 19 3.726 7.084 6.986 145 HG3 GLU 19 1HG GLU 19 4.877 5.787 7.301 146 H ASP 20 H ASP 20 7.071 10.309 4.558 147 HA ASP 20 HA ASP 20 5.164 10.868 2.471 148 HB2 ASP 20 2HB ASP 20 7.754 10.815 1.298 149 HB3 ASP 20 1HB ASP 20 6.766 12.211 1.700 150 H SER 21 H SER 21 6.754 8.046 3.387 151 HA SER 21 HA SER 21 6.980 6.906 0.740 152 HB2 SER 21 2HB SER 21 6.890 4.980 2.915 153 HB3 SER 21 1HB SER 21 8.203 5.332 1.795 154 HG SER 21 HG SER 21 7.715 6.280 4.341 155 H CYS 22 H CYS 22 5.463 5.476 -0.222 156 HA CYS 22 HA CYS 22 2.955 4.974 1.312 157 HB2 CYS 22 2HB CYS 22 3.139 5.503 -1.671 158 HB3 CYS 22 1HB CYS 22 1.673 5.279 -0.728 159 H TYR 23 H TYR 23 2.877 2.809 1.613 160 HA TYR 23 HA TYR 23 4.283 1.175 -0.416 161 HB2 TYR 23 2HB TYR 23 4.949 -0.326 1.194 162 HB3 TYR 23 1HB TYR 23 5.011 1.198 2.057 163 HD1 TYR 23 1HD TYR 23 2.062 1.618 2.619 164 HD2 TYR 23 2HD TYR 23 4.519 -1.898 2.869 165 HE1 TYR 23 1HE TYR 23 0.547 0.677 4.333 166 HE2 TYR 23 2HE TYR 23 2.996 -2.837 4.581 167 HH TYR 23 HH TYR 23 0.621 -2.568 5.272 168 H LYS 24 H LYS 24 3.361 -0.274 -1.503 169 HA LYS 24 HA LYS 24 0.591 -1.089 -0.797 170 HB2 LYS 24 2HB LYS 24 0.177 0.242 -2.641 171 HB3 LYS 24 1HB LYS 24 1.725 -0.124 -3.385 172 HG2 LYS 24 2HG LYS 24 0.764 -2.543 -3.606 173 HG3 LYS 24 1HG LYS 24 -0.794 -1.747 -3.361 174 HD2 LYS 24 2HD LYS 24 0.895 -0.291 -5.221 175 HD3 LYS 24 1HD LYS 24 0.581 -1.939 -5.767 176 HE2 LYS 24 2HE LYS 24 -1.858 -0.935 -4.727 177 HE3 LYS 24 1HE LYS 24 -1.195 0.318 -5.776 178 HZ1 LYS 24 3HZ LYS 24 -2.313 -2.216 -6.470 179 HZ2 LYS 24 1HZ LYS 24 -0.765 -2.017 -7.132 180 HZ3 LYS 24 2HZ LYS 24 -1.980 -0.876 -7.459 181 H ASN 25 H ASN 25 0.713 -3.078 -0.177 182 HA ASN 25 HA ASN 25 2.609 -4.939 -1.532 183 HB2 ASN 25 2HB ASN 25 2.326 -6.065 0.893 184 HB3 ASN 25 1HB ASN 25 3.526 -4.823 0.581 185 HD21 ASN 25 1HD2 ASN 25 2.561 -2.461 0.842 186 HD22 ASN 25 2HD2 ASN 25 1.583 -2.222 2.206 187 H ILE 26 H ILE 26 1.936 -7.240 -1.420 188 HA ILE 26 HA ILE 26 -0.973 -7.490 -1.895 189 HB ILE 26 HB ILE 26 -0.459 -9.595 -2.915 190 HG12 ILE 26 2HG1 ILE 26 2.109 -10.279 -2.740 191 HG13 ILE 26 1HG1 ILE 26 2.004 -9.376 -1.228 192 HG21 ILE 26 1HG2 ILE 26 1.667 -7.509 -3.439 193 HG22 ILE 26 2HG2 ILE 26 0.204 -7.825 -4.372 194 HG23 ILE 26 3HG2 ILE 26 1.537 -8.980 -4.401 195 HD11 ILE 26 3HD1 ILE 26 1.121 -11.229 -0.292 196 HD12 ILE 26 1HD1 ILE 26 0.962 -12.015 -1.863 197 HD13 ILE 26 2HD1 ILE 26 -0.314 -10.949 -1.276 198 H TRP 27 H TRP 27 1.472 -8.339 0.433 199 HA TRP 27 HA TRP 27 0.114 -10.451 1.796 200 HB2 TRP 27 2HB TRP 27 1.856 -8.354 3.092 201 HB3 TRP 27 1HB TRP 27 1.619 -10.023 3.611 202 HD1 TRP 27 HD TRP 27 3.655 -7.891 1.264 203 HE1 TRP 27 1HE TRP 27 5.359 -9.373 0.011 204 HE3 TRP 27 3HE TRP 27 1.955 -12.515 2.605 205 HZ2 TRP 27 2HZ TRP 27 5.916 -12.152 -0.373 206 HZ3 TRP 27 3HZ TRP 27 3.088 -14.559 1.784 207 HH2 TRP 27 HH TRP 27 5.065 -14.384 0.297 208 H THR 28 H THR 28 -1.700 -10.363 3.065 209 HA THR 28 HA THR 28 -2.309 -7.949 4.596 210 HB THR 28 HB THR 28 -3.145 -7.541 2.230 211 HG1 THR 28 1HG THR 28 -4.003 -6.639 4.277 212 HG21 THR 28 3HG2 THR 28 -4.562 -8.996 1.246 213 HG22 THR 28 1HG2 THR 28 -5.581 -9.082 2.682 214 HG23 THR 28 2HG2 THR 28 -4.162 -10.119 2.546 215 H PHE 29 H PHE 29 -5.177 -8.701 4.743 216 HA PHE 29 HA PHE 29 -4.820 -11.151 6.416 217 HB2 PHE 29 2HB PHE 29 -5.754 -8.684 7.174 218 HB3 PHE 29 1HB PHE 29 -7.255 -9.538 6.818 219 HD1 PHE 29 2HD PHE 29 -4.152 -9.611 8.848 220 HD2 PHE 29 1HD PHE 29 -8.021 -11.356 8.186 221 HE1 PHE 29 2HE PHE 29 -3.967 -10.839 10.995 222 HE2 PHE 29 1HE PHE 29 -7.836 -12.583 10.333 223 HZ PHE 29 HZ PHE 29 -5.808 -12.324 11.737 224 H ASP 30 H ASP 30 -7.718 -9.603 5.017 225 HA ASP 30 HA ASP 30 -8.415 -12.269 3.860 226 HB2 ASP 30 2HB ASP 30 -9.916 -10.358 5.433 227 HB3 ASP 30 1HB ASP 30 -10.707 -10.629 3.880 228 H ASN 31 H ASN 31 -7.726 -8.967 3.153 229 HA ASN 31 HA ASN 31 -9.002 -9.063 0.499 230 HB2 ASN 31 2HB ASN 31 -7.127 -6.939 1.566 231 HB3 ASN 31 1HB ASN 31 -8.315 -6.779 0.272 232 HD21 ASN 31 1HD2 ASN 31 -10.683 -7.301 1.046 233 HD22 ASN 31 2HD2 ASN 31 -11.116 -6.707 2.575 234 H ILE 32 H ILE 32 -6.460 -7.392 -0.374 235 HA ILE 32 HA ILE 32 -4.485 -9.552 -0.612 236 HB ILE 32 HB ILE 32 -5.721 -10.252 -2.467 237 HG12 ILE 32 2HG1 ILE 32 -4.496 -9.433 -4.489 238 HG13 ILE 32 1HG1 ILE 32 -3.773 -8.174 -3.490 239 HG21 ILE 32 1HG2 ILE 32 -7.204 -9.004 -3.652 240 HG22 ILE 32 2HG2 ILE 32 -6.109 -7.628 -3.769 241 HG23 ILE 32 3HG2 ILE 32 -7.044 -7.889 -2.297 242 HD11 ILE 32 3HD1 ILE 32 -3.456 -11.168 -3.173 243 HD12 ILE 32 1HD1 ILE 32 -2.912 -10.000 -1.969 244 HD13 ILE 32 2HD1 ILE 32 -2.201 -9.998 -3.582 245 H ILE 33 H ILE 33 -5.149 -6.612 -2.544 246 HA ILE 33 HA ILE 33 -2.372 -5.744 -2.031 247 HB ILE 33 HB ILE 33 -4.364 -4.107 -3.565 248 HG12 ILE 33 2HG1 ILE 33 -4.572 -6.525 -4.255 249 HG13 ILE 33 1HG1 ILE 33 -4.038 -5.446 -5.543 250 HG21 ILE 33 1HG2 ILE 33 -2.386 -2.983 -3.712 251 HG22 ILE 33 2HG2 ILE 33 -2.042 -4.163 -4.977 252 HG23 ILE 33 3HG2 ILE 33 -1.429 -4.419 -3.344 253 HD11 ILE 33 3HD1 ILE 33 -1.761 -6.134 -5.295 254 HD12 ILE 33 1HD1 ILE 33 -2.720 -7.614 -5.310 255 HD13 ILE 33 2HD1 ILE 33 -2.112 -6.973 -3.784 256 H ARG 34 H ARG 34 -1.852 -3.869 -0.901 257 HA ARG 34 HA ARG 34 -4.074 -2.281 0.230 258 HB2 ARG 34 2HB ARG 34 -3.390 -4.197 1.820 259 HB3 ARG 34 1HB ARG 34 -1.924 -3.247 2.085 260 HG2 ARG 34 2HG ARG 34 -3.193 -1.349 2.819 261 HG3 ARG 34 1HG ARG 34 -4.702 -2.098 2.334 262 HD2 ARG 34 2HD ARG 34 -4.774 -3.483 4.160 263 HD3 ARG 34 1HD ARG 34 -3.019 -3.613 4.258 264 HE ARG 34 HE ARG 34 -3.351 -1.043 5.013 265 HH11 ARG 34 1HH1 ARG 34 -6.184 -2.579 5.435 266 HH12 ARG 34 2HH1 ARG 34 -6.170 -2.614 7.167 267 HH21 ARG 34 1HH2 ARG 34 -2.848 -1.652 7.422 268 HH22 ARG 34 2HH2 ARG 34 -4.280 -2.091 8.292 269 H ARG 35 H ARG 35 -3.557 -0.298 -0.320 270 HA ARG 35 HA ARG 35 -0.723 0.544 -0.460 271 HB2 ARG 35 2HB ARG 35 -3.247 1.934 -1.392 272 HB3 ARG 35 1HB ARG 35 -1.614 2.515 -1.653 273 HG2 ARG 35 2HG ARG 35 -1.295 1.122 -3.396 274 HG3 ARG 35 1HG ARG 35 -1.906 -0.257 -2.483 275 HD2 ARG 35 2HD ARG 35 -3.895 -0.140 -3.514 276 HD3 ARG 35 1HD ARG 35 -4.054 1.564 -3.099 277 HE ARG 35 HE ARG 35 -2.399 1.787 -5.188 278 HH11 ARG 35 1HH1 ARG 35 -3.535 -1.195 -5.485 279 HH12 ARG 35 2HH1 ARG 35 -4.612 -0.925 -6.813 280 HH21 ARG 35 1HH2 ARG 35 -4.464 2.531 -6.574 281 HH22 ARG 35 2HH2 ARG 35 -5.140 1.184 -7.429 282 H GLY 36 H GLY 36 0.104 1.455 1.313 283 HA2 GLY 36 2HA GLY 36 -1.662 3.190 2.990 284 HA3 GLY 36 1HA GLY 36 -0.571 2.024 3.726 285 H CYS 37 H CYS 37 0.620 3.618 4.793 286 HA CYS 37 HA CYS 37 2.359 5.296 3.037 287 HB2 CYS 37 2HB CYS 37 2.371 6.992 4.832 288 HB3 CYS 37 1HB CYS 37 0.728 6.702 4.256 289 H GLY 38 H GLY 38 4.460 4.633 3.254 290 HA2 GLY 38 2HA GLY 38 6.387 4.301 4.755 291 HA3 GLY 38 1HA GLY 38 5.278 3.586 5.933 292 H CYS 39 H CYS 39 7.674 2.580 4.238 293 HA CYS 39 HA CYS 39 6.715 0.630 2.400 294 HB2 CYS 39 2HB CYS 39 9.202 0.394 4.109 295 HB3 CYS 39 1HB CYS 39 8.871 -0.482 2.620 296 H PHE 40 H PHE 40 6.888 -1.752 2.715 297 HA PHE 40 HA PHE 40 5.108 -2.596 4.806 298 HB2 PHE 40 2HB PHE 40 6.252 -4.950 3.973 299 HB3 PHE 40 1HB PHE 40 4.895 -4.168 3.163 300 HD1 PHE 40 1HD PHE 40 8.516 -4.775 3.095 301 HD2 PHE 40 2HD PHE 40 5.206 -2.895 1.116 302 HE1 PHE 40 1HE PHE 40 9.943 -4.373 1.103 303 HE2 PHE 40 2HE PHE 40 6.623 -2.496 -0.882 304 HZ PHE 40 HZ PHE 40 8.998 -3.228 -0.890 305 H THR 41 H THR 41 5.912 -4.706 6.077 306 HA THR 41 HA THR 41 8.076 -3.684 7.777 307 HB THR 41 HB THR 41 5.837 -5.597 8.127 308 HG1 THR 41 1HG THR 41 6.281 -3.294 8.899 309 HG21 THR 41 3HG2 THR 41 6.833 -6.661 10.075 310 HG22 THR 41 1HG2 THR 41 8.327 -5.749 9.852 311 HG23 THR 41 2HG2 THR 41 7.858 -6.978 8.676 312 HA PRO 42 HA PRO 42 10.064 -7.827 6.745 313 HB2 PRO 42 2HB PRO 42 8.750 -9.602 5.114 314 HB3 PRO 42 1HB PRO 42 8.518 -9.527 6.869 315 HG2 PRO 42 2HG PRO 42 6.671 -8.684 4.716 316 HG3 PRO 42 1HG PRO 42 6.319 -9.034 6.416 317 HD2 PRO 42 2HD PRO 42 6.636 -6.459 5.169 318 HD3 PRO 42 1HD PRO 42 6.291 -6.791 6.879 319 H ARG 43 H ARG 43 10.311 -5.526 5.094 320 HA ARG 43 HA ARG 43 10.238 -5.989 2.303 321 HB2 ARG 43 2HB ARG 43 12.190 -4.384 2.200 322 HB3 ARG 43 1HB ARG 43 10.812 -3.794 3.117 323 HG2 ARG 43 2HG ARG 43 11.905 -4.561 5.217 324 HG3 ARG 43 1HG ARG 43 13.307 -5.058 4.271 325 HD2 ARG 43 2HD ARG 43 12.210 -2.237 4.441 326 HD3 ARG 43 1HD ARG 43 13.663 -2.825 5.249 327 HE ARG 43 HE ARG 43 13.861 -3.328 2.432 328 HH11 ARG 43 1HH1 ARG 43 15.033 -1.477 4.951 329 HH12 ARG 43 2HH1 ARG 43 15.566 -0.150 3.973 330 HH21 ARG 43 1HH2 ARG 43 14.063 -1.332 1.081 331 HH22 ARG 43 2HH2 ARG 43 15.017 -0.068 1.782 332 H GLY 44 H GLY 44 12.010 -6.666 0.860 333 HA2 GLY 44 2HA GLY 44 14.478 -7.646 1.480 334 HA3 GLY 44 1HA GLY 44 13.409 -8.959 1.963 335 H ASP 45 H ASP 45 14.801 -9.994 0.157 336 HA ASP 45 HA ASP 45 13.875 -9.283 -2.563 337 HB2 ASP 45 2HB ASP 45 15.516 -11.145 -3.200 338 HB3 ASP 45 1HB ASP 45 16.216 -9.703 -2.463 339 H MET 46 H MET 46 12.828 -11.289 -0.075 340 HA MET 46 HA MET 46 12.001 -13.518 -1.791 341 HB2 MET 46 2HB MET 46 10.627 -13.301 0.795 342 HB3 MET 46 1HB MET 46 11.554 -14.638 0.122 343 HG2 MET 46 2HG MET 46 13.644 -13.223 0.628 344 HG3 MET 46 1HG MET 46 12.582 -12.229 1.625 345 HE1 MET 46 3HE MET 46 14.224 -15.360 0.816 346 HE2 MET 46 1HE MET 46 14.267 -16.343 2.285 347 HE3 MET 46 2HE MET 46 15.192 -14.846 2.195 348 HA PRO 47 HA PRO 47 7.778 -11.408 -1.270 349 HB2 PRO 47 2HB PRO 47 7.672 -9.086 0.192 350 HB3 PRO 47 1HB PRO 47 7.510 -10.692 0.915 351 HG2 PRO 47 2HG PRO 47 9.793 -8.801 1.063 352 HG3 PRO 47 1HG PRO 47 9.375 -10.137 2.147 353 HD2 PRO 47 2HD PRO 47 11.371 -10.138 0.093 354 HD3 PRO 47 1HD PRO 47 10.867 -11.514 1.092 355 H GLY 48 H GLY 48 6.737 -9.468 -2.401 356 HA2 GLY 48 2HA GLY 48 8.699 -7.605 -3.575 357 HA3 GLY 48 1HA GLY 48 7.757 -8.592 -4.682 358 HA PRO 49 HA PRO 49 4.472 -5.801 -2.766 359 HB2 PRO 49 2HB PRO 49 5.048 -4.446 -0.446 360 HB3 PRO 49 1HB PRO 49 4.363 -6.077 -0.497 361 HG2 PRO 49 2HG PRO 49 7.109 -5.252 0.237 362 HG3 PRO 49 1HG PRO 49 6.246 -6.733 0.632 363 HD2 PRO 49 2HD PRO 49 8.242 -6.408 -1.385 364 HD3 PRO 49 1HD PRO 49 7.243 -7.831 -1.064 365 H TYR 50 H TYR 50 4.430 -3.105 -1.913 366 HA TYR 50 HA TYR 50 6.573 -1.881 -3.604 367 HB2 TYR 50 2HB TYR 50 3.793 -2.015 -4.165 368 HB3 TYR 50 1HB TYR 50 4.177 -0.333 -3.797 369 HD1 TYR 50 1HD TYR 50 5.731 -3.220 -5.634 370 HD2 TYR 50 2HD TYR 50 4.870 0.988 -5.580 371 HE1 TYR 50 1HE TYR 50 6.797 -2.974 -7.858 372 HE2 TYR 50 2HE TYR 50 5.936 1.235 -7.805 373 HH TYR 50 HH TYR 50 7.225 -1.596 -9.548 374 H CYS 51 H CYS 51 7.061 0.302 -3.210 375 HA CYS 51 HA CYS 51 5.967 1.759 -0.890 376 HB2 CYS 51 2HB CYS 51 7.850 0.144 -0.054 377 HB3 CYS 51 1HB CYS 51 8.933 1.251 -0.901 378 H CYS 52 H CYS 52 6.368 3.949 -1.205 379 HA CYS 52 HA CYS 52 8.398 4.856 -3.123 380 HB2 CYS 52 2HB CYS 52 6.603 4.386 -4.675 381 HB3 CYS 52 1HB CYS 52 5.448 5.227 -3.651 382 H GLU 53 H GLU 53 8.581 7.188 -3.053 383 HA GLU 53 HA GLU 53 7.463 8.258 -0.496 384 HB2 GLU 53 2HB GLU 53 9.805 9.511 -1.887 385 HB3 GLU 53 1HB GLU 53 9.411 9.470 -0.167 386 HG2 GLU 53 2HG GLU 53 9.828 6.992 -0.196 387 HG3 GLU 53 1HG GLU 53 10.402 7.159 -1.856 388 H SER 54 H SER 54 5.557 8.584 -2.154 389 HA SER 54 HA SER 54 5.501 11.444 -2.715 390 HB2 SER 54 2HB SER 54 4.987 9.637 -5.071 391 HB3 SER 54 1HB SER 54 5.212 11.380 -5.045 392 HG SER 54 HG SER 54 7.042 9.450 -5.316 393 H ASP 55 H ASP 55 3.234 12.099 -3.372 394 HA ASP 55 HA ASP 55 1.383 10.405 -1.942 395 HB2 ASP 55 2HB ASP 55 -0.098 12.270 -3.516 396 HB3 ASP 55 1HB ASP 55 0.140 12.236 -1.773 397 H LYS 56 H LYS 56 -0.543 9.503 -2.782 398 HA LYS 56 HA LYS 56 -1.436 7.841 -4.216 399 HB2 LYS 56 2HB LYS 56 -0.929 10.029 -6.255 400 HB3 LYS 56 1HB LYS 56 -2.144 8.754 -6.355 401 HG2 LYS 56 2HG LYS 56 -2.928 9.740 -4.035 402 HG3 LYS 56 1HG LYS 56 -2.090 11.186 -4.600 403 HD2 LYS 56 2HD LYS 56 -4.306 9.716 -6.059 404 HD3 LYS 56 1HD LYS 56 -4.440 11.290 -5.274 405 HE2 LYS 56 2HE LYS 56 -2.639 12.134 -6.818 406 HE3 LYS 56 1HE LYS 56 -2.723 10.593 -7.671 407 HZ1 LYS 56 3HZ LYS 56 -4.268 12.778 -8.167 408 HZ2 LYS 56 1HZ LYS 56 -5.299 11.774 -7.270 409 HZ3 LYS 56 2HZ LYS 56 -4.584 11.195 -8.698 410 H CYS 57 H CYS 57 1.551 7.862 -3.908 411 HA CYS 57 HA CYS 57 2.639 7.244 -6.536 412 HB2 CYS 57 2HB CYS 57 3.799 8.042 -4.262 413 HB3 CYS 57 1HB CYS 57 4.005 6.304 -4.063 414 H ASN 58 H ASN 58 1.079 5.338 -4.012 415 HA ASN 58 HA ASN 58 2.008 2.875 -5.324 416 HB2 ASN 58 2HB ASN 58 0.638 1.827 -3.371 417 HB3 ASN 58 1HB ASN 58 2.189 2.573 -3.010 418 HD21 ASN 58 1HD2 ASN 58 0.535 2.430 -0.851 419 HD22 ASN 58 2HD2 ASN 58 -0.227 3.922 -0.526 420 H LEU 59 H LEU 59 0.296 4.493 -6.842 421 HA LEU 59 HA LEU 59 -2.465 3.655 -6.614 422 HB2 LEU 59 2HB LEU 59 -1.940 5.728 -7.760 423 HB3 LEU 59 1HB LEU 59 -0.877 4.891 -8.886 424 HG LEU 59 HG LEU 59 -3.243 5.502 -9.713 425 HD11 LEU 59 1HD1 LEU 59 -1.545 3.275 -10.197 426 HD12 LEU 59 2HD1 LEU 59 -2.714 4.004 -11.299 427 HD13 LEU 59 3HD1 LEU 59 -3.205 2.681 -10.242 428 HD21 LEU 59 3HD2 LEU 59 -4.030 4.256 -7.400 429 HD22 LEU 59 1HD2 LEU 59 -4.242 2.966 -8.582 430 HD23 LEU 59 2HD2 LEU 59 -5.070 4.505 -8.799 Start of MODEL 19 1 H1 ARG 1 1HT ARG 1 3.397 10.363 3.043 2 H2 ARG 1 2HT ARG 1 2.142 10.526 4.176 3 H3 ARG 1 3HT ARG 1 3.539 11.484 4.307 4 HA ARG 1 HA ARG 1 2.021 12.941 3.404 5 HB2 ARG 1 2HB ARG 1 3.082 13.513 1.427 6 HB3 ARG 1 1HB ARG 1 4.231 12.341 2.057 7 HG2 ARG 1 2HG ARG 1 2.415 10.770 0.649 8 HG3 ARG 1 1HG ARG 1 2.596 12.203 -0.354 9 HD2 ARG 1 2HD ARG 1 4.915 10.625 0.758 10 HD3 ARG 1 1HD ARG 1 4.245 10.366 -0.840 11 HE ARG 1 HE ARG 1 5.917 12.010 -1.288 12 HH11 ARG 1 1HH2 ARG 1 5.848 13.049 1.661 13 HH12 ARG 1 2HH2 ARG 1 5.386 14.691 1.375 14 HH21 ARG 1 1HH1 ARG 1 4.514 14.158 -1.925 15 HH22 ARG 1 2HH1 ARG 1 4.625 15.315 -0.645 16 H ILE 2 H ILE 2 1.002 12.663 0.572 17 HA ILE 2 HA ILE 2 -1.441 11.168 1.299 18 HB ILE 2 HB ILE 2 -0.709 12.803 -1.143 19 HG12 ILE 2 2HG1 ILE 2 -2.885 13.951 -0.081 20 HG13 ILE 2 1HG1 ILE 2 -2.238 13.178 1.367 21 HG21 ILE 2 1HG2 ILE 2 -2.981 12.429 -1.932 22 HG22 ILE 2 2HG2 ILE 2 -3.348 11.449 -0.512 23 HG23 ILE 2 3HG2 ILE 2 -2.195 10.866 -1.713 24 HD11 ILE 2 3HD1 ILE 2 -0.104 14.444 -0.113 25 HD12 ILE 2 1HD1 ILE 2 -0.620 14.738 1.548 26 HD13 ILE 2 2HD1 ILE 2 -1.384 15.611 0.220 27 H CYS 3 H CYS 3 -1.380 8.970 1.004 28 HA CYS 3 HA CYS 3 -0.170 8.089 -1.564 29 HB2 CYS 3 2HB CYS 3 -0.226 6.477 1.006 30 HB3 CYS 3 1HB CYS 3 0.485 5.966 -0.520 31 H TYR 4 H TYR 4 -1.147 5.867 -2.265 32 HA TYR 4 HA TYR 4 -4.039 6.235 -2.289 33 HB2 TYR 4 2HB TYR 4 -2.085 4.624 -3.749 34 HB3 TYR 4 1HB TYR 4 -3.539 3.712 -3.359 35 HD1 TYR 4 2HD TYR 4 -2.436 7.004 -4.733 36 HD2 TYR 4 1HD TYR 4 -5.467 3.973 -4.674 37 HE1 TYR 4 2HE TYR 4 -3.636 8.184 -6.547 38 HE2 TYR 4 1HE TYR 4 -6.673 5.148 -6.492 39 HH TYR 4 HH TYR 4 -6.303 6.738 -8.221 40 H ASN 5 H ASN 5 -5.553 5.067 -1.144 41 HA ASN 5 HA ASN 5 -4.512 3.073 0.820 42 HB2 ASN 5 2HB ASN 5 -5.424 5.016 1.952 43 HB3 ASN 5 1HB ASN 5 -6.894 4.943 0.983 44 HD21 ASN 5 1HD2 ASN 5 -5.427 1.951 2.114 45 HD22 ASN 5 2HD2 ASN 5 -6.616 1.593 3.269 46 H HIS 6 H HIS 6 -5.481 2.760 -2.037 47 HA HIS 6 HA HIS 6 -8.066 1.491 -1.926 48 HB2 HIS 6 2HB HIS 6 -7.537 2.181 -4.056 49 HB3 HIS 6 1HB HIS 6 -5.861 1.686 -3.936 50 HD1 HIS 6 1HD HIS 6 -5.700 0.061 -5.871 51 HD2 HIS 6 2HD HIS 6 -8.997 -0.713 -3.443 52 HE1 HIS 6 1HE HIS 6 -6.694 -2.121 -6.685 53 H LEU 7 H LEU 7 -8.592 -0.607 -1.645 54 HA LEU 7 HA LEU 7 -6.414 -2.422 -0.699 55 HB2 LEU 7 2HB LEU 7 -9.289 -2.075 0.012 56 HB3 LEU 7 1HB LEU 7 -8.618 -3.704 0.109 57 HG LEU 7 HG LEU 7 -6.655 -2.540 1.389 58 HD11 LEU 7 1HD1 LEU 7 -7.198 -0.243 1.068 59 HD12 LEU 7 2HD1 LEU 7 -7.629 -0.588 2.744 60 HD13 LEU 7 3HD1 LEU 7 -8.885 -0.503 1.510 61 HD21 LEU 7 3HD2 LEU 7 -8.165 -4.144 2.437 62 HD22 LEU 7 1HD2 LEU 7 -9.427 -2.918 2.567 63 HD23 LEU 7 2HD2 LEU 7 -7.953 -2.770 3.524 64 H GLY 8 H GLY 8 -5.842 -4.055 -2.003 65 HA2 GLY 8 2HA GLY 8 -5.960 -5.059 -4.254 66 HA3 GLY 8 1HA GLY 8 -6.790 -6.138 -3.142 67 H THR 9 H THR 9 -9.088 -6.262 -3.227 68 HA THR 9 HA THR 9 -10.205 -5.301 -5.802 69 HB THR 9 HB THR 9 -10.347 -7.739 -4.954 70 HG1 THR 9 1HG THR 9 -11.643 -7.511 -6.592 71 HG21 THR 9 3HG2 THR 9 -11.212 -6.822 -2.666 72 HG22 THR 9 1HG2 THR 9 -11.935 -8.290 -3.325 73 HG23 THR 9 2HG2 THR 9 -12.773 -6.746 -3.482 74 H LYS 10 H LYS 10 -10.607 -4.840 -2.344 75 HA LYS 10 HA LYS 10 -13.177 -3.757 -2.170 76 HB2 LYS 10 2HB LYS 10 -10.757 -3.665 -0.624 77 HB3 LYS 10 1HB LYS 10 -11.462 -2.049 -0.665 78 HG2 LYS 10 2HG LYS 10 -13.705 -3.237 -0.138 79 HG3 LYS 10 1HG LYS 10 -12.704 -4.614 0.326 80 HD2 LYS 10 2HD LYS 10 -11.411 -2.625 1.643 81 HD3 LYS 10 1HD LYS 10 -13.058 -1.995 1.671 82 HE2 LYS 10 2HE LYS 10 -13.108 -4.812 2.264 83 HE3 LYS 10 1HE LYS 10 -11.960 -4.010 3.334 84 HZ1 LYS 10 3HZ LYS 10 -14.732 -3.067 2.858 85 HZ2 LYS 10 1HZ LYS 10 -13.631 -2.462 3.998 86 HZ3 LYS 10 2HZ LYS 10 -14.266 -4.028 4.179 87 HA PRO 11 HA PRO 11 -13.199 0.058 -4.322 88 HB2 PRO 11 2HB PRO 11 -14.025 1.944 -2.485 89 HB3 PRO 11 1HB PRO 11 -15.103 0.758 -3.243 90 HG2 PRO 11 2HG PRO 11 -13.977 0.778 -0.477 91 HG3 PRO 11 1HG PRO 11 -15.495 0.081 -1.065 92 HD2 PRO 11 2HD PRO 11 -13.168 -1.372 -0.496 93 HD3 PRO 11 1HD PRO 11 -14.519 -1.960 -1.488 94 HA PRO 12 HA PRO 12 -9.163 1.660 -3.460 95 HB2 PRO 12 2HB PRO 12 -8.932 3.143 -5.766 96 HB3 PRO 12 1HB PRO 12 -8.701 1.388 -5.694 97 HG2 PRO 12 2HG PRO 12 -11.014 2.934 -6.768 98 HG3 PRO 12 1HG PRO 12 -10.437 1.320 -7.217 99 HD2 PRO 12 2HD PRO 12 -12.652 1.878 -5.551 100 HD3 PRO 12 1HD PRO 12 -11.855 0.300 -5.729 101 H THR 13 H THR 13 -8.655 3.345 -2.159 102 HA THR 13 HA THR 13 -9.781 6.028 -2.762 103 HB THR 13 HB THR 13 -11.282 5.800 -1.073 104 HG1 THR 13 1HG THR 13 -10.120 5.935 1.076 105 HG21 THR 13 3HG2 THR 13 -11.362 3.512 -0.733 106 HG22 THR 13 1HG2 THR 13 -10.720 4.024 0.827 107 HG23 THR 13 2HG2 THR 13 -9.632 3.396 -0.411 108 H THR 14 H THR 14 -8.350 7.700 -2.175 109 HA THR 14 HA THR 14 -5.621 6.820 -1.560 110 HB THR 14 HB THR 14 -5.127 9.306 -1.707 111 HG1 THR 14 1HG THR 14 -6.935 10.387 -1.449 112 HG21 THR 14 3HG2 THR 14 -4.958 9.158 -4.000 113 HG22 THR 14 1HG2 THR 14 -6.563 8.452 -4.182 114 HG23 THR 14 2HG2 THR 14 -5.224 7.461 -3.601 115 H GLU 15 H GLU 15 -4.423 8.259 0.123 116 HA GLU 15 HA GLU 15 -6.108 9.022 2.419 117 HB2 GLU 15 2HB GLU 15 -4.455 6.537 2.331 118 HB3 GLU 15 1HB GLU 15 -4.453 7.468 3.828 119 HG2 GLU 15 2HG GLU 15 -6.937 6.492 2.388 120 HG3 GLU 15 1HG GLU 15 -6.243 5.756 3.833 121 H THR 16 H THR 16 -4.425 9.499 4.348 122 HA THR 16 HA THR 16 -1.983 10.753 3.190 123 HB THR 16 HB THR 16 -3.344 12.304 5.303 124 HG1 THR 16 1HG THR 16 -4.699 13.228 3.552 125 HG21 THR 16 3HG2 THR 16 -1.491 12.676 3.111 126 HG22 THR 16 1HG2 THR 16 -1.799 13.720 4.498 127 HG23 THR 16 2HG2 THR 16 -2.788 13.870 3.046 128 H CYS 17 H CYS 17 -0.230 10.487 4.503 129 HA CYS 17 HA CYS 17 -0.662 9.833 7.366 130 HB2 CYS 17 2HB CYS 17 1.299 8.207 5.771 131 HB3 CYS 17 1HB CYS 17 0.541 7.825 7.317 132 H GLN 18 H GLN 18 2.009 9.314 8.019 133 HA GLN 18 HA GLN 18 3.142 12.006 7.566 134 HB2 GLN 18 2HB GLN 18 3.087 11.301 9.863 135 HB3 GLN 18 1HB GLN 18 3.881 9.788 9.476 136 HG2 GLN 18 2HG GLN 18 5.296 11.805 10.443 137 HG3 GLN 18 1HG GLN 18 5.959 10.778 9.183 138 HE21 GLN 18 1HE2 GLN 18 3.501 13.391 8.830 139 HE22 GLN 18 2HE2 GLN 18 4.418 14.306 7.732 140 H GLU 19 H GLU 19 4.040 8.620 7.223 141 HA GLU 19 HA GLU 19 6.706 9.130 6.322 142 HB2 GLU 19 2HB GLU 19 5.385 6.793 5.096 143 HB3 GLU 19 1HB GLU 19 6.902 6.884 5.978 144 HG2 GLU 19 2HG GLU 19 5.282 7.366 8.034 145 HG3 GLU 19 1HG GLU 19 4.130 6.486 7.027 146 H ASP 20 H ASP 20 7.431 9.887 4.447 147 HA ASP 20 HA ASP 20 5.591 10.780 2.403 148 HB2 ASP 20 2HB ASP 20 8.038 10.847 1.142 149 HB3 ASP 20 1HB ASP 20 7.378 12.156 2.111 150 H SER 21 H SER 21 6.850 7.772 3.116 151 HA SER 21 HA SER 21 7.159 6.888 0.364 152 HB2 SER 21 2HB SER 21 6.814 4.799 2.387 153 HB3 SER 21 1HB SER 21 8.144 5.047 1.270 154 HG SER 21 HG SER 21 7.717 6.091 3.837 155 H CYS 22 H CYS 22 5.789 4.913 -0.351 156 HA CYS 22 HA CYS 22 3.068 4.868 0.821 157 HB2 CYS 22 2HB CYS 22 3.510 5.223 -2.159 158 HB3 CYS 22 1HB CYS 22 1.967 5.168 -1.318 159 H TYR 23 H TYR 23 2.732 2.697 1.175 160 HA TYR 23 HA TYR 23 4.276 0.834 -0.546 161 HB2 TYR 23 2HB TYR 23 4.108 -0.803 1.159 162 HB3 TYR 23 1HB TYR 23 4.468 0.695 1.992 163 HD1 TYR 23 2HD TYR 23 2.426 2.069 2.887 164 HD2 TYR 23 1HD TYR 23 2.231 -2.069 1.754 165 HE1 TYR 23 2HE TYR 23 0.365 1.794 4.232 166 HE2 TYR 23 1HE TYR 23 0.171 -2.343 3.097 167 HH TYR 23 HH TYR 23 -0.888 0.017 5.334 168 H LYS 24 H LYS 24 3.351 -0.484 -1.897 169 HA LYS 24 HA LYS 24 0.475 -1.139 -1.621 170 HB2 LYS 24 2HB LYS 24 0.168 0.481 -3.196 171 HB3 LYS 24 1HB LYS 24 1.773 0.307 -3.880 172 HG2 LYS 24 2HG LYS 24 0.496 -2.142 -4.412 173 HG3 LYS 24 1HG LYS 24 -0.732 -0.913 -4.701 174 HD2 LYS 24 2HD LYS 24 1.921 -0.185 -5.717 175 HD3 LYS 24 1HD LYS 24 1.228 -1.611 -6.492 176 HE2 LYS 24 2HE LYS 24 -0.850 0.323 -6.201 177 HE3 LYS 24 1HE LYS 24 0.545 1.133 -6.913 178 HZ1 LYS 24 3HZ LYS 24 0.207 0.088 -8.820 179 HZ2 LYS 24 1HZ LYS 24 -1.249 -0.520 -8.197 180 HZ3 LYS 24 2HZ LYS 24 0.179 -1.432 -8.062 181 H ASN 25 H ASN 25 0.925 -3.148 -1.027 182 HA ASN 25 HA ASN 25 2.837 -4.722 -2.640 183 HB2 ASN 25 2HB ASN 25 1.453 -5.869 -0.246 184 HB3 ASN 25 1HB ASN 25 3.119 -6.063 -0.777 185 HD21 ASN 25 1HD2 ASN 25 3.380 -3.001 -1.080 186 HD22 ASN 25 2HD2 ASN 25 3.515 -2.446 0.510 187 H ILE 26 H ILE 26 2.168 -7.055 -3.056 188 HA ILE 26 HA ILE 26 -0.508 -6.980 -4.323 189 HB ILE 26 HB ILE 26 0.243 -8.725 -5.728 190 HG12 ILE 26 2HG1 ILE 26 1.230 -10.056 -3.761 191 HG13 ILE 26 1HG1 ILE 26 2.066 -10.179 -5.301 192 HG21 ILE 26 1HG2 ILE 26 1.322 -6.491 -6.069 193 HG22 ILE 26 2HG2 ILE 26 2.281 -7.843 -6.674 194 HG23 ILE 26 3HG2 ILE 26 2.706 -7.074 -5.145 195 HD11 ILE 26 3HD1 ILE 26 3.867 -9.773 -3.915 196 HD12 ILE 26 1HD1 ILE 26 2.919 -8.809 -2.786 197 HD13 ILE 26 2HD1 ILE 26 3.443 -8.113 -4.317 198 H TRP 27 H TRP 27 1.067 -8.357 -1.599 199 HA TRP 27 HA TRP 27 -1.328 -10.085 -1.209 200 HB2 TRP 27 2HB TRP 27 0.425 -11.512 0.185 201 HB3 TRP 27 1HB TRP 27 0.178 -11.788 -1.539 202 HD1 TRP 27 HD TRP 27 2.189 -8.922 0.098 203 HE1 TRP 27 1HE TRP 27 4.606 -9.023 -0.802 204 HE3 TRP 27 3HE TRP 27 1.918 -13.188 -2.695 205 HZ2 TRP 27 2HZ TRP 27 6.211 -10.696 -2.466 206 HZ3 TRP 27 3HZ TRP 27 3.905 -14.015 -3.922 207 HH2 TRP 27 HH TRP 27 6.050 -12.776 -3.812 208 H THR 28 H THR 28 -1.568 -10.717 1.142 209 HA THR 28 HA THR 28 -0.365 -8.935 3.127 210 HB THR 28 HB THR 28 -3.274 -8.715 2.328 211 HG1 THR 28 1HG THR 28 -2.012 -7.361 1.152 212 HG21 THR 28 3HG2 THR 28 -1.817 -7.694 4.776 213 HG22 THR 28 1HG2 THR 28 -3.232 -8.744 4.732 214 HG23 THR 28 2HG2 THR 28 -3.373 -7.057 4.244 215 H PHE 29 H PHE 29 -1.390 -9.484 5.354 216 HA PHE 29 HA PHE 29 -1.279 -12.242 5.851 217 HB2 PHE 29 2HB PHE 29 -1.530 -10.062 7.436 218 HB3 PHE 29 1HB PHE 29 -3.168 -10.705 7.551 219 HD1 PHE 29 2HD PHE 29 -3.182 -13.425 7.733 220 HD2 PHE 29 1HD PHE 29 -0.031 -10.817 9.043 221 HE1 PHE 29 2HE PHE 29 -2.393 -15.171 9.308 222 HE2 PHE 29 1HE PHE 29 0.758 -12.563 10.619 223 HZ PHE 29 HZ PHE 29 -0.423 -14.738 10.751 224 H ASP 30 H ASP 30 -4.176 -10.239 5.259 225 HA ASP 30 HA ASP 30 -5.633 -12.767 4.599 226 HB2 ASP 30 2HB ASP 30 -6.226 -11.259 6.776 227 HB3 ASP 30 1HB ASP 30 -7.222 -10.451 5.565 228 H ASN 31 H ASN 31 -5.306 -9.277 4.018 229 HA ASN 31 HA ASN 31 -7.130 -9.293 1.744 230 HB2 ASN 31 2HB ASN 31 -5.532 -7.332 3.216 231 HB3 ASN 31 1HB ASN 31 -5.520 -7.045 1.476 232 HD21 ASN 31 1HD2 ASN 31 -7.426 -6.199 0.529 233 HD22 ASN 31 2HD2 ASN 31 -8.866 -5.934 1.387 234 H ILE 32 H ILE 32 -5.909 -8.055 -0.313 235 HA ILE 32 HA ILE 32 -3.693 -9.926 -1.052 236 HB ILE 32 HB ILE 32 -5.452 -8.518 -3.053 237 HG12 ILE 32 2HG1 ILE 32 -7.031 -9.650 -1.615 238 HG13 ILE 32 1HG1 ILE 32 -6.823 -10.649 -3.054 239 HG21 ILE 32 1HG2 ILE 32 -3.575 -9.563 -4.055 240 HG22 ILE 32 2HG2 ILE 32 -4.885 -10.724 -4.269 241 HG23 ILE 32 3HG2 ILE 32 -3.689 -10.969 -2.996 242 HD11 ILE 32 3HD1 ILE 32 -6.210 -11.277 -0.279 243 HD12 ILE 32 1HD1 ILE 32 -4.803 -11.502 -1.317 244 HD13 ILE 32 2HD1 ILE 32 -6.305 -12.355 -1.672 245 H ILE 33 H ILE 33 -4.923 -6.829 -2.379 246 HA ILE 33 HA ILE 33 -2.093 -5.870 -2.379 247 HB ILE 33 HB ILE 33 -4.201 -4.328 -3.801 248 HG12 ILE 33 2HG1 ILE 33 -4.789 -6.680 -4.272 249 HG13 ILE 33 1HG1 ILE 33 -4.186 -5.862 -5.716 250 HG21 ILE 33 1HG2 ILE 33 -1.764 -3.746 -3.769 251 HG22 ILE 33 2HG2 ILE 33 -2.402 -3.999 -5.394 252 HG23 ILE 33 3HG2 ILE 33 -1.435 -5.256 -4.621 253 HD11 ILE 33 3HD1 ILE 33 -2.030 -6.892 -5.492 254 HD12 ILE 33 1HD1 ILE 33 -3.223 -8.178 -5.307 255 HD13 ILE 33 2HD1 ILE 33 -2.425 -7.503 -3.886 256 H ARG 34 H ARG 34 -1.593 -3.921 -1.329 257 HA ARG 34 HA ARG 34 -3.858 -2.377 -0.229 258 HB2 ARG 34 2HB ARG 34 -3.155 -4.151 1.454 259 HB3 ARG 34 1HB ARG 34 -1.651 -3.239 1.621 260 HG2 ARG 34 2HG ARG 34 -2.712 -1.390 2.522 261 HG3 ARG 34 1HG ARG 34 -4.251 -1.772 1.771 262 HD2 ARG 34 2HD ARG 34 -4.828 -3.318 3.402 263 HD3 ARG 34 1HD ARG 34 -3.149 -3.678 3.800 264 HE ARG 34 HE ARG 34 -3.074 -1.554 5.055 265 HH11 ARG 34 1HH2 ARG 34 -5.749 -3.396 5.390 266 HH12 ARG 34 2HH2 ARG 34 -6.834 -2.129 5.861 267 HH21 ARG 34 1HH1 ARG 34 -4.637 0.422 5.029 268 HH22 ARG 34 2HH1 ARG 34 -6.204 0.031 5.656 269 H ARG 35 H ARG 35 -3.437 -0.414 -0.919 270 HA ARG 35 HA ARG 35 -0.657 0.578 -1.104 271 HB2 ARG 35 2HB ARG 35 -3.209 1.976 -1.933 272 HB3 ARG 35 1HB ARG 35 -1.566 2.430 -2.365 273 HG2 ARG 35 2HG ARG 35 -1.605 1.041 -4.125 274 HG3 ARG 35 1HG ARG 35 -1.962 -0.321 -3.064 275 HD2 ARG 35 2HD ARG 35 -4.379 0.373 -3.105 276 HD3 ARG 35 1HD ARG 35 -3.963 1.569 -4.331 277 HE ARG 35 HE ARG 35 -4.127 -1.330 -4.732 278 HH11 ARG 35 1HH1 ARG 35 -2.869 1.709 -5.802 279 HH12 ARG 35 2HH1 ARG 35 -2.629 1.178 -7.432 280 HH21 ARG 35 1HH2 ARG 35 -3.799 -2.031 -6.849 281 HH22 ARG 35 2HH2 ARG 35 -3.152 -0.934 -8.024 282 H GLY 36 H GLY 36 0.147 2.121 0.297 283 HA2 GLY 36 2HA GLY 36 -1.659 3.691 1.991 284 HA3 GLY 36 1HA GLY 36 -0.724 2.486 2.863 285 H CYS 37 H CYS 37 0.426 4.118 3.984 286 HA CYS 37 HA CYS 37 2.412 5.609 2.320 287 HB2 CYS 37 2HB CYS 37 1.734 6.564 5.059 288 HB3 CYS 37 1HB CYS 37 2.196 7.491 3.635 289 H GLY 38 H GLY 38 4.426 4.765 2.649 290 HA2 GLY 38 2HA GLY 38 6.298 4.247 4.079 291 HA3 GLY 38 1HA GLY 38 5.165 3.959 5.402 292 H CYS 39 H CYS 39 7.275 2.220 4.075 293 HA CYS 39 HA CYS 39 5.966 0.120 2.640 294 HB2 CYS 39 2HB CYS 39 8.360 -0.180 4.435 295 HB3 CYS 39 1HB CYS 39 7.936 -1.195 3.067 296 H PHE 40 H PHE 40 5.348 -2.026 3.483 297 HA PHE 40 HA PHE 40 3.723 -1.822 5.834 298 HB2 PHE 40 2HB PHE 40 3.629 -4.374 5.627 299 HB3 PHE 40 1HB PHE 40 3.061 -3.448 4.245 300 HD1 PHE 40 2HD PHE 40 6.627 -3.277 4.652 301 HD2 PHE 40 1HD PHE 40 3.467 -5.693 3.037 302 HE1 PHE 40 2HE PHE 40 8.261 -4.427 3.223 303 HE2 PHE 40 1HE PHE 40 5.113 -6.853 1.599 304 HZ PHE 40 HZ PHE 40 7.513 -6.236 1.699 305 H THR 41 H THR 41 3.992 -3.532 7.694 306 HA THR 41 HA THR 41 6.511 -2.886 8.987 307 HB THR 41 HB THR 41 4.487 -4.811 10.091 308 HG1 THR 41 1HG THR 41 4.357 -1.999 9.846 309 HG21 THR 41 3HG2 THR 41 6.787 -3.302 11.047 310 HG22 THR 41 1HG2 THR 41 5.927 -4.638 11.812 311 HG23 THR 41 2HG2 THR 41 5.343 -2.986 12.009 312 HA PRO 42 HA PRO 42 7.286 -7.565 8.764 313 HB2 PRO 42 2HB PRO 42 5.623 -9.081 7.182 314 HB3 PRO 42 1HB PRO 42 5.320 -8.749 8.896 315 HG2 PRO 42 2HG PRO 42 3.927 -7.660 6.518 316 HG3 PRO 42 1HG PRO 42 3.378 -7.735 8.200 317 HD2 PRO 42 2HD PRO 42 4.454 -5.464 6.814 318 HD3 PRO 42 1HD PRO 42 3.972 -5.541 8.519 319 H ARG 43 H ARG 43 8.285 -5.632 7.011 320 HA ARG 43 HA ARG 43 8.297 -6.412 4.261 321 HB2 ARG 43 2HB ARG 43 10.216 -4.931 4.041 322 HB3 ARG 43 1HB ARG 43 9.048 -4.189 5.128 323 HG2 ARG 43 2HG ARG 43 10.347 -4.556 7.014 324 HG3 ARG 43 1HG ARG 43 11.173 -5.942 6.301 325 HD2 ARG 43 2HD ARG 43 12.333 -4.384 4.726 326 HD3 ARG 43 1HD ARG 43 11.584 -3.029 5.571 327 HE ARG 43 HE ARG 43 13.047 -4.808 7.360 328 HH11 ARG 43 1HH2 ARG 43 14.667 -3.623 4.910 329 HH12 ARG 43 2HH2 ARG 43 15.455 -2.309 5.716 330 HH21 ARG 43 1HH1 ARG 43 13.437 -2.474 8.528 331 HH22 ARG 43 2HH1 ARG 43 14.758 -1.658 7.763 332 H GLY 44 H GLY 44 11.251 -6.457 3.971 333 HA2 GLY 44 2HA GLY 44 12.991 -8.079 4.806 334 HA3 GLY 44 1HA GLY 44 11.691 -9.265 4.807 335 H ASP 45 H ASP 45 13.556 -10.219 3.306 336 HA ASP 45 HA ASP 45 13.436 -9.143 0.562 337 HB2 ASP 45 2HB ASP 45 15.246 -10.807 2.076 338 HB3 ASP 45 1HB ASP 45 14.791 -11.622 0.579 339 H MET 46 H MET 46 11.270 -10.799 2.237 340 HA MET 46 HA MET 46 10.806 -13.007 0.357 341 HB2 MET 46 2HB MET 46 10.014 -12.383 3.035 342 HB3 MET 46 1HB MET 46 8.566 -12.649 2.064 343 HG2 MET 46 2HG MET 46 10.652 -14.592 1.449 344 HG3 MET 46 1HG MET 46 10.198 -14.633 3.154 345 HE1 MET 46 3HE MET 46 8.300 -17.205 3.072 346 HE2 MET 46 1HE MET 46 7.218 -15.960 3.710 347 HE3 MET 46 2HE MET 46 8.955 -15.838 3.971 348 HA PRO 47 HA PRO 47 7.036 -10.300 -0.689 349 HB2 PRO 47 2HB PRO 47 6.836 -7.846 0.530 350 HB3 PRO 47 1HB PRO 47 6.162 -9.337 1.207 351 HG2 PRO 47 2HG PRO 47 8.549 -7.803 2.083 352 HG3 PRO 47 1HG PRO 47 7.551 -8.942 3.001 353 HD2 PRO 47 2HD PRO 47 10.096 -9.459 1.818 354 HD3 PRO 47 1HD PRO 47 9.029 -10.647 2.590 355 H GLY 48 H GLY 48 6.751 -8.659 -2.313 356 HA2 GLY 48 2HA GLY 48 9.076 -6.935 -2.895 357 HA3 GLY 48 1HA GLY 48 8.507 -8.026 -4.156 358 HA PRO 49 HA PRO 49 4.847 -5.029 -3.379 359 HB2 PRO 49 2HB PRO 49 5.173 -3.155 -1.402 360 HB3 PRO 49 1HB PRO 49 4.483 -4.761 -1.127 361 HG2 PRO 49 2HG PRO 49 7.187 -3.739 -0.418 362 HG3 PRO 49 1HG PRO 49 6.206 -4.985 0.355 363 HD2 PRO 49 2HD PRO 49 8.377 -5.483 -1.354 364 HD3 PRO 49 1HD PRO 49 7.134 -6.664 -0.900 365 H TYR 50 H TYR 50 4.711 -2.304 -3.040 366 HA TYR 50 HA TYR 50 6.997 -1.242 -4.628 367 HB2 TYR 50 2HB TYR 50 4.561 -1.716 -5.734 368 HB3 TYR 50 1HB TYR 50 4.325 -0.070 -5.147 369 HD1 TYR 50 1HD TYR 50 7.040 1.060 -5.379 370 HD2 TYR 50 2HD TYR 50 4.863 -1.493 -8.063 371 HE1 TYR 50 1HE TYR 50 8.363 1.934 -7.286 372 HE2 TYR 50 2HE TYR 50 6.187 -0.619 -9.970 373 HH TYR 50 HH TYR 50 7.545 1.814 -10.298 374 H CYS 51 H CYS 51 7.749 -0.385 -2.538 375 HA CYS 51 HA CYS 51 6.091 1.557 -1.083 376 HB2 CYS 51 2HB CYS 51 8.498 0.211 -0.560 377 HB3 CYS 51 1HB CYS 51 8.931 1.914 -0.744 378 H CYS 52 H CYS 52 5.675 3.473 -2.037 379 HA CYS 52 HA CYS 52 7.631 4.602 -3.979 380 HB2 CYS 52 2HB CYS 52 4.702 4.843 -3.598 381 HB3 CYS 52 1HB CYS 52 5.543 6.312 -4.064 382 H GLU 53 H GLU 53 7.680 7.085 -3.844 383 HA GLU 53 HA GLU 53 7.695 7.911 -0.981 384 HB2 GLU 53 2HB GLU 53 9.635 8.997 -3.012 385 HB3 GLU 53 1HB GLU 53 9.700 9.102 -1.249 386 HG2 GLU 53 2HG GLU 53 10.410 6.916 -0.993 387 HG3 GLU 53 1HG GLU 53 9.667 6.386 -2.501 388 H SER 54 H SER 54 6.711 8.578 -4.198 389 HA SER 54 HA SER 54 6.075 11.399 -3.635 390 HB2 SER 54 2HB SER 54 4.743 10.664 -5.969 391 HB3 SER 54 1HB SER 54 6.326 11.432 -5.887 392 HG SER 54 HG SER 54 6.045 9.290 -7.029 393 H ASP 55 H ASP 55 3.814 12.142 -3.610 394 HA ASP 55 HA ASP 55 2.144 10.344 -2.093 395 HB2 ASP 55 2HB ASP 55 0.732 12.585 -3.379 396 HB3 ASP 55 1HB ASP 55 0.837 12.131 -1.684 397 H LYS 56 H LYS 56 0.072 9.535 -2.724 398 HA LYS 56 HA LYS 56 -1.165 8.153 -4.163 399 HB2 LYS 56 2HB LYS 56 -0.841 10.759 -5.633 400 HB3 LYS 56 1HB LYS 56 -1.754 9.431 -6.349 401 HG2 LYS 56 2HG LYS 56 -3.122 9.325 -4.243 402 HG3 LYS 56 1HG LYS 56 -2.295 10.783 -3.692 403 HD2 LYS 56 2HD LYS 56 -3.685 10.683 -6.369 404 HD3 LYS 56 1HD LYS 56 -4.562 11.091 -4.894 405 HE2 LYS 56 2HE LYS 56 -2.355 12.689 -4.655 406 HE3 LYS 56 1HE LYS 56 -2.581 12.677 -6.404 407 HZ1 LYS 56 3HZ LYS 56 -4.465 13.842 -6.248 408 HZ2 LYS 56 1HZ LYS 56 -3.916 14.270 -4.702 409 HZ3 LYS 56 2HZ LYS 56 -5.015 12.987 -4.887 410 H CYS 57 H CYS 57 1.796 7.830 -4.325 411 HA CYS 57 HA CYS 57 2.314 7.407 -7.190 412 HB2 CYS 57 2HB CYS 57 4.133 8.174 -5.750 413 HB3 CYS 57 1HB CYS 57 3.957 6.737 -4.749 414 H ASN 58 H ASN 58 0.990 5.493 -4.611 415 HA ASN 58 HA ASN 58 1.779 3.006 -5.957 416 HB2 ASN 58 2HB ASN 58 0.385 2.011 -4.004 417 HB3 ASN 58 1HB ASN 58 1.961 2.705 -3.646 418 HD21 ASN 58 1HD2 ASN 58 0.503 2.702 -1.429 419 HD22 ASN 58 2HD2 ASN 58 -0.283 4.182 -1.121 420 H LEU 59 H LEU 59 0.000 4.812 -7.346 421 HA LEU 59 HA LEU 59 -2.649 3.505 -7.162 422 HB2 LEU 59 2HB LEU 59 -2.588 5.949 -7.403 423 HB3 LEU 59 1HB LEU 59 -1.658 5.792 -8.891 424 HG LEU 59 HG LEU 59 -4.220 6.143 -9.096 425 HD11 LEU 59 1HD1 LEU 59 -3.775 3.756 -10.667 426 HD12 LEU 59 2HD1 LEU 59 -2.318 4.751 -10.642 427 HD13 LEU 59 3HD1 LEU 59 -3.845 5.436 -11.198 428 HD21 LEU 59 3HD2 LEU 59 -4.444 3.179 -8.860 429 HD22 LEU 59 1HD2 LEU 59 -5.654 4.425 -8.555 430 HD23 LEU 59 2HD2 LEU 59 -4.406 4.096 -7.354 Start of MODEL 20 1 H1 ARG 1 1HT ARG 1 4.070 12.696 3.275 2 H2 ARG 1 2HT ARG 1 2.864 11.511 3.114 3 H3 ARG 1 3HT ARG 1 2.786 12.639 4.381 4 HA ARG 1 HA ARG 1 2.064 14.323 3.073 5 HB2 ARG 1 2HB ARG 1 2.404 13.918 0.431 6 HB3 ARG 1 1HB ARG 1 3.629 14.676 1.436 7 HG2 ARG 1 2HG ARG 1 5.069 12.978 1.104 8 HG3 ARG 1 1HG ARG 1 3.858 11.785 1.556 9 HD2 ARG 1 2HD ARG 1 2.874 12.244 -0.813 10 HD3 ARG 1 1HD ARG 1 4.474 12.893 -1.166 11 HE ARG 1 HE ARG 1 5.246 10.689 -1.216 12 HH11 ARG 1 1HH2 ARG 1 2.400 10.985 0.711 13 HH12 ARG 1 2HH2 ARG 1 2.246 9.282 0.973 14 HH21 ARG 1 1HH1 ARG 1 5.024 8.469 -0.919 15 HH22 ARG 1 2HH1 ARG 1 3.726 7.871 0.060 16 H ILE 2 H ILE 2 1.393 12.498 0.217 17 HA ILE 2 HA ILE 2 -1.103 11.433 1.481 18 HB ILE 2 HB ILE 2 -0.989 12.957 -1.129 19 HG12 ILE 2 2HG1 ILE 2 -2.748 14.162 0.690 20 HG13 ILE 2 1HG1 ILE 2 -1.329 13.724 1.639 21 HG21 ILE 2 1HG2 ILE 2 -3.100 12.212 -1.530 22 HG22 ILE 2 2HG2 ILE 2 -3.581 12.413 0.155 23 HG23 ILE 2 3HG2 ILE 2 -2.734 10.952 -0.353 24 HD11 ILE 2 3HD1 ILE 2 -1.618 15.795 -0.406 25 HD12 ILE 2 1HD1 ILE 2 -0.234 14.742 -0.695 26 HD13 ILE 2 2HD1 ILE 2 -0.375 15.612 0.833 27 H CYS 3 H CYS 3 -1.457 9.351 0.943 28 HA CYS 3 HA CYS 3 -0.565 8.505 -1.734 29 HB2 CYS 3 2HB CYS 3 0.996 7.774 0.245 30 HB3 CYS 3 1HB CYS 3 -0.276 6.591 0.561 31 H TYR 4 H TYR 4 -1.573 6.041 -2.012 32 HA TYR 4 HA TYR 4 -4.436 6.516 -1.623 33 HB2 TYR 4 2HB TYR 4 -2.793 4.730 -3.353 34 HB3 TYR 4 1HB TYR 4 -4.447 4.239 -2.993 35 HD1 TYR 4 2HD TYR 4 -2.641 7.408 -3.824 36 HD2 TYR 4 1HD TYR 4 -6.046 4.903 -4.550 37 HE1 TYR 4 2HE TYR 4 -3.456 9.017 -5.519 38 HE2 TYR 4 1HE TYR 4 -6.869 6.513 -6.246 39 HH TYR 4 HH TYR 4 -6.243 9.407 -6.482 40 H ASN 5 H ASN 5 -5.838 5.110 -0.551 41 HA ASN 5 HA ASN 5 -4.550 3.039 1.186 42 HB2 ASN 5 2HB ASN 5 -5.491 4.809 2.555 43 HB3 ASN 5 1HB ASN 5 -7.005 4.764 1.655 44 HD21 ASN 5 1HD2 ASN 5 -5.389 1.733 2.406 45 HD22 ASN 5 2HD2 ASN 5 -6.486 1.228 3.598 46 H HIS 6 H HIS 6 -5.608 2.849 -1.616 47 HA HIS 6 HA HIS 6 -8.139 1.445 -1.455 48 HB2 HIS 6 2HB HIS 6 -7.947 2.285 -3.558 49 HB3 HIS 6 1HB HIS 6 -6.195 2.160 -3.577 50 HD1 HIS 6 1HD HIS 6 -5.832 0.813 -5.689 51 HD2 HIS 6 2HD HIS 6 -8.689 -0.916 -3.193 52 HE1 HIS 6 1HE HIS 6 -6.388 -1.446 -6.692 53 H LEU 7 H LEU 7 -8.526 -0.674 -1.285 54 HA LEU 7 HA LEU 7 -6.186 -2.482 -0.848 55 HB2 LEU 7 2HB LEU 7 -9.046 -2.579 0.135 56 HB3 LEU 7 1HB LEU 7 -7.940 -3.945 0.289 57 HG LEU 7 HG LEU 7 -6.538 -1.638 1.177 58 HD11 LEU 7 1HD1 LEU 7 -8.725 -0.549 1.477 59 HD12 LEU 7 2HD1 LEU 7 -8.001 -0.915 3.043 60 HD13 LEU 7 3HD1 LEU 7 -9.295 -1.932 2.411 61 HD21 LEU 7 3HD2 LEU 7 -7.508 -3.251 3.351 62 HD22 LEU 7 1HD2 LEU 7 -5.895 -3.226 2.639 63 HD23 LEU 7 2HD2 LEU 7 -7.131 -4.301 1.986 64 H GLY 8 H GLY 8 -5.807 -4.029 -2.337 65 HA2 GLY 8 2HA GLY 8 -6.284 -4.689 -4.708 66 HA3 GLY 8 1HA GLY 8 -6.770 -5.967 -3.606 67 H THR 9 H THR 9 -8.998 -6.368 -3.293 68 HA THR 9 HA THR 9 -10.718 -5.338 -5.461 69 HB THR 9 HB THR 9 -11.980 -7.146 -3.541 70 HG1 THR 9 1HG THR 9 -10.081 -8.095 -3.201 71 HG21 THR 9 3HG2 THR 9 -11.321 -7.919 -6.339 72 HG22 THR 9 1HG2 THR 9 -12.355 -6.507 -6.121 73 HG23 THR 9 2HG2 THR 9 -12.842 -8.067 -5.459 74 H LYS 10 H LYS 10 -10.410 -5.074 -1.970 75 HA LYS 10 HA LYS 10 -12.935 -4.142 -1.223 76 HB2 LYS 10 2HB LYS 10 -10.244 -4.000 -0.196 77 HB3 LYS 10 1HB LYS 10 -11.057 -2.460 0.073 78 HG2 LYS 10 2HG LYS 10 -12.932 -3.599 1.158 79 HG3 LYS 10 1HG LYS 10 -12.218 -5.169 0.795 80 HD2 LYS 10 2HD LYS 10 -10.143 -4.202 2.099 81 HD3 LYS 10 1HD LYS 10 -11.343 -3.111 2.795 82 HE2 LYS 10 2HE LYS 10 -11.246 -6.125 2.947 83 HE3 LYS 10 1HE LYS 10 -11.312 -4.964 4.272 84 HZ1 LYS 10 3HZ LYS 10 -13.463 -5.703 2.380 85 HZ2 LYS 10 1HZ LYS 10 -13.539 -4.295 3.321 86 HZ3 LYS 10 2HZ LYS 10 -13.467 -5.815 4.075 87 HA PRO 11 HA PRO 11 -13.524 -0.204 -3.041 88 HB2 PRO 11 2HB PRO 11 -14.057 1.511 -0.950 89 HB3 PRO 11 1HB PRO 11 -15.206 0.310 -1.566 90 HG2 PRO 11 2HG PRO 11 -13.560 0.235 0.924 91 HG3 PRO 11 1HG PRO 11 -15.130 -0.518 0.593 92 HD2 PRO 11 2HD PRO 11 -12.665 -1.854 0.596 93 HD3 PRO 11 1HD PRO 11 -14.157 -2.469 -0.141 94 HA PRO 12 HA PRO 12 -9.435 1.557 -2.783 95 HB2 PRO 12 2HB PRO 12 -9.616 2.978 -5.129 96 HB3 PRO 12 1HB PRO 12 -9.272 1.241 -5.054 97 HG2 PRO 12 2HG PRO 12 -11.800 2.622 -5.829 98 HG3 PRO 12 1HG PRO 12 -11.193 1.031 -6.320 99 HD2 PRO 12 2HD PRO 12 -13.189 1.512 -4.374 100 HD3 PRO 12 1HD PRO 12 -12.331 -0.023 -4.631 101 H THR 13 H THR 13 -8.974 3.270 -1.490 102 HA THR 13 HA THR 13 -10.249 5.895 -2.056 103 HB THR 13 HB THR 13 -11.615 5.513 -0.252 104 HG1 THR 13 1HG THR 13 -10.264 6.001 1.752 105 HG21 THR 13 3HG2 THR 13 -10.892 3.152 -0.020 106 HG22 THR 13 1HG2 THR 13 -11.122 3.920 1.551 107 HG23 THR 13 2HG2 THR 13 -9.495 3.687 0.913 108 H THR 14 H THR 14 -8.883 7.679 -1.377 109 HA THR 14 HA THR 14 -6.081 6.871 -1.181 110 HB THR 14 HB THR 14 -5.604 9.316 -1.320 111 HG1 THR 14 1HG THR 14 -7.218 10.717 -1.326 112 HG21 THR 14 3HG2 THR 14 -7.562 8.428 -3.440 113 HG22 THR 14 1HG2 THR 14 -5.922 7.792 -3.319 114 HG23 THR 14 2HG2 THR 14 -6.180 9.509 -3.627 115 H GLU 15 H GLU 15 -4.770 8.489 0.355 116 HA GLU 15 HA GLU 15 -6.126 8.886 2.941 117 HB2 GLU 15 2HB GLU 15 -4.751 6.472 2.410 118 HB3 GLU 15 1HB GLU 15 -3.703 7.417 3.466 119 HG2 GLU 15 2HG GLU 15 -5.348 5.959 4.700 120 HG3 GLU 15 1HG GLU 15 -5.464 7.673 5.100 121 H THR 16 H THR 16 -4.153 9.431 4.590 122 HA THR 16 HA THR 16 -2.058 10.999 3.215 123 HB THR 16 HB THR 16 -3.001 12.686 5.289 124 HG1 THR 16 1HG THR 16 -5.148 12.999 4.606 125 HG21 THR 16 3HG2 THR 16 -3.813 13.913 3.018 126 HG22 THR 16 1HG2 THR 16 -2.727 12.702 2.340 127 HG23 THR 16 2HG2 THR 16 -2.126 13.853 3.532 128 H CYS 17 H CYS 17 -0.167 10.704 4.337 129 HA CYS 17 HA CYS 17 -0.386 10.022 7.236 130 HB2 CYS 17 2HB CYS 17 0.826 8.076 7.028 131 HB3 CYS 17 1HB CYS 17 0.082 8.089 5.434 132 H GLN 18 H GLN 18 2.245 9.748 7.843 133 HA GLN 18 HA GLN 18 3.276 12.505 7.445 134 HB2 GLN 18 2HB GLN 18 3.226 11.623 9.747 135 HB3 GLN 18 1HB GLN 18 4.236 10.270 9.254 136 HG2 GLN 18 2HG GLN 18 5.568 12.116 10.285 137 HG3 GLN 18 1HG GLN 18 6.039 11.779 8.624 138 HE21 GLN 18 1HE2 GLN 18 5.124 13.270 6.914 139 HE22 GLN 18 2HE2 GLN 18 4.728 14.864 7.337 140 H GLU 19 H GLU 19 4.128 9.125 7.029 141 HA GLU 19 HA GLU 19 6.766 9.562 6.028 142 HB2 GLU 19 2HB GLU 19 5.159 7.285 4.983 143 HB3 GLU 19 1HB GLU 19 6.826 7.306 5.549 144 HG2 GLU 19 2HG GLU 19 5.986 6.341 7.427 145 HG3 GLU 19 1HG GLU 19 5.477 7.980 7.838 146 H ASP 20 H ASP 20 7.450 10.162 4.057 147 HA ASP 20 HA ASP 20 5.434 10.986 2.084 148 HB2 ASP 20 2HB ASP 20 8.110 11.118 1.020 149 HB3 ASP 20 1HB ASP 20 7.012 12.441 1.391 150 H SER 21 H SER 21 6.680 8.117 2.922 151 HA SER 21 HA SER 21 7.324 7.117 0.269 152 HB2 SER 21 2HB SER 21 6.833 4.980 2.085 153 HB3 SER 21 1HB SER 21 8.388 5.562 1.500 154 HG SER 21 HG SER 21 8.595 6.020 3.568 155 H CYS 22 H CYS 22 6.042 5.060 -0.441 156 HA CYS 22 HA CYS 22 3.127 5.314 0.206 157 HB2 CYS 22 2HB CYS 22 4.569 5.547 -2.394 158 HB3 CYS 22 1HB CYS 22 3.100 4.578 -2.407 159 H TYR 23 H TYR 23 2.398 3.178 0.769 160 HA TYR 23 HA TYR 23 4.249 1.038 -0.153 161 HB2 TYR 23 2HB TYR 23 3.826 -0.254 1.748 162 HB3 TYR 23 1HB TYR 23 4.017 1.373 2.356 163 HD1 TYR 23 1HD TYR 23 1.319 -0.893 1.082 164 HD2 TYR 23 2HD TYR 23 2.438 2.141 3.898 165 HE1 TYR 23 1HE TYR 23 -0.877 -1.113 2.174 166 HE2 TYR 23 2HE TYR 23 0.226 1.926 4.996 167 HH TYR 23 HH TYR 23 -1.561 -0.079 5.155 168 H LYS 24 H LYS 24 3.621 -0.581 -1.255 169 HA LYS 24 HA LYS 24 0.728 -1.168 -1.610 170 HB2 LYS 24 2HB LYS 24 2.384 0.085 -3.585 171 HB3 LYS 24 1HB LYS 24 2.028 -1.561 -4.110 172 HG2 LYS 24 2HG LYS 24 -0.401 -0.977 -3.319 173 HG3 LYS 24 1HG LYS 24 0.136 0.685 -3.573 174 HD2 LYS 24 2HD LYS 24 0.454 -1.494 -5.646 175 HD3 LYS 24 1HD LYS 24 -0.925 -0.397 -5.605 176 HE2 LYS 24 2HE LYS 24 0.297 1.096 -6.765 177 HE3 LYS 24 1HE LYS 24 1.371 1.230 -5.374 178 HZ1 LYS 24 3HZ LYS 24 2.573 0.606 -7.378 179 HZ2 LYS 24 1HZ LYS 24 1.610 -0.779 -7.547 180 HZ3 LYS 24 2HZ LYS 24 2.652 -0.628 -6.214 181 H ASN 25 H ASN 25 0.862 -3.160 -0.616 182 HA ASN 25 HA ASN 25 2.958 -5.007 -1.690 183 HB2 ASN 25 2HB ASN 25 2.555 -6.144 0.652 184 HB3 ASN 25 1HB ASN 25 3.611 -4.747 0.518 185 HD21 ASN 25 1HD2 ASN 25 2.290 -2.545 0.705 186 HD22 ASN 25 2HD2 ASN 25 1.174 -2.513 1.979 187 H ILE 26 H ILE 26 2.319 -7.379 -1.267 188 HA ILE 26 HA ILE 26 -0.560 -7.729 -1.993 189 HB ILE 26 HB ILE 26 0.038 -9.483 -3.460 190 HG12 ILE 26 2HG1 ILE 26 1.654 -10.549 -1.816 191 HG13 ILE 26 1HG1 ILE 26 2.165 -10.604 -3.500 192 HG21 ILE 26 1HG2 ILE 26 2.425 -8.232 -4.327 193 HG22 ILE 26 2HG2 ILE 26 1.414 -6.964 -3.635 194 HG23 ILE 26 3HG2 ILE 26 0.791 -7.974 -4.940 195 HD11 ILE 26 3HD1 ILE 26 4.112 -9.727 -2.732 196 HD12 ILE 26 1HD1 ILE 26 3.381 -9.198 -1.219 197 HD13 ILE 26 2HD1 ILE 26 3.229 -8.204 -2.666 198 H TRP 27 H TRP 27 1.544 -8.149 0.492 199 HA TRP 27 HA TRP 27 0.725 -10.855 1.287 200 HB2 TRP 27 2HB TRP 27 2.226 -8.735 2.838 201 HB3 TRP 27 1HB TRP 27 2.119 -10.449 3.249 202 HD1 TRP 27 HD TRP 27 4.050 -8.031 1.157 203 HE1 TRP 27 1HE TRP 27 5.775 -9.291 -0.286 204 HE3 TRP 27 3HE TRP 27 2.474 -12.830 1.892 205 HZ2 TRP 27 2HZ TRP 27 6.406 -11.983 -1.026 206 HZ3 TRP 27 3HZ TRP 27 3.651 -14.721 0.810 207 HH2 TRP 27 HH TRP 27 5.615 -14.305 -0.647 208 H THR 28 H THR 28 -1.574 -10.596 1.470 209 HA THR 28 HA THR 28 -2.401 -9.554 4.070 210 HB THR 28 HB THR 28 -2.682 -7.961 1.657 211 HG1 THR 28 1HG THR 28 -2.001 -7.104 3.575 212 HG21 THR 28 3HG2 THR 28 -5.255 -8.348 3.212 213 HG22 THR 28 1HG2 THR 28 -4.950 -9.126 1.660 214 HG23 THR 28 2HG2 THR 28 -5.005 -7.367 1.767 215 H PHE 29 H PHE 29 -3.970 -10.898 4.829 216 HA PHE 29 HA PHE 29 -4.968 -13.031 3.121 217 HB2 PHE 29 2HB PHE 29 -4.425 -13.250 5.590 218 HB3 PHE 29 1HB PHE 29 -5.895 -12.333 5.918 219 HD1 PHE 29 2HD PHE 29 -8.114 -13.220 5.130 220 HD2 PHE 29 1HD PHE 29 -4.515 -15.557 4.979 221 HE1 PHE 29 2HE PHE 29 -9.466 -15.285 4.886 222 HE2 PHE 29 1HE PHE 29 -5.865 -17.623 4.733 223 HZ PHE 29 HZ PHE 29 -8.341 -17.487 4.687 224 H ASP 30 H ASP 30 -6.675 -10.510 5.030 225 HA ASP 30 HA ASP 30 -9.260 -10.895 4.137 226 HB2 ASP 30 2HB ASP 30 -7.842 -8.233 4.461 227 HB3 ASP 30 1HB ASP 30 -9.592 -8.434 4.365 228 H ASN 31 H ASN 31 -7.019 -8.620 2.504 229 HA ASN 31 HA ASN 31 -8.524 -9.182 -0.018 230 HB2 ASN 31 2HB ASN 31 -6.778 -6.765 0.392 231 HB3 ASN 31 1HB ASN 31 -8.149 -6.968 -0.699 232 HD21 ASN 31 1HD2 ASN 31 -7.372 -6.801 2.812 233 HD22 ASN 31 2HD2 ASN 31 -8.871 -6.145 3.265 234 H ILE 32 H ILE 32 -6.276 -7.688 -1.429 235 HA ILE 32 HA ILE 32 -4.178 -9.805 -1.241 236 HB ILE 32 HB ILE 32 -4.989 -8.597 -3.876 237 HG12 ILE 32 2HG1 ILE 32 -7.046 -9.540 -2.938 238 HG13 ILE 32 1HG1 ILE 32 -6.442 -10.602 -4.210 239 HG21 ILE 32 1HG2 ILE 32 -4.023 -10.701 -4.724 240 HG22 ILE 32 2HG2 ILE 32 -3.740 -11.241 -3.069 241 HG23 ILE 32 3HG2 ILE 32 -2.864 -9.849 -3.703 242 HD11 ILE 32 3HD1 ILE 32 -6.974 -11.275 -1.503 243 HD12 ILE 32 1HD1 ILE 32 -5.224 -11.343 -1.714 244 HD13 ILE 32 2HD1 ILE 32 -6.276 -12.306 -2.752 245 H ILE 33 H ILE 33 -4.647 -6.875 -3.242 246 HA ILE 33 HA ILE 33 -1.893 -6.045 -2.569 247 HB ILE 33 HB ILE 33 -3.568 -4.188 -4.133 248 HG12 ILE 33 2HG1 ILE 33 -4.573 -6.197 -4.967 249 HG13 ILE 33 1HG1 ILE 33 -3.409 -5.665 -6.178 250 HG21 ILE 33 1HG2 ILE 33 -1.147 -3.933 -3.907 251 HG22 ILE 33 2HG2 ILE 33 -1.566 -4.245 -5.591 252 HG23 ILE 33 3HG2 ILE 33 -0.895 -5.536 -4.595 253 HD11 ILE 33 3HD1 ILE 33 -2.163 -7.393 -4.197 254 HD12 ILE 33 1HD1 ILE 33 -2.200 -7.555 -5.953 255 HD13 ILE 33 2HD1 ILE 33 -3.525 -8.193 -4.980 256 H ARG 34 H ARG 34 -1.437 -3.991 -1.586 257 HA ARG 34 HA ARG 34 -3.769 -2.565 -0.458 258 HB2 ARG 34 2HB ARG 34 -2.985 -4.292 1.214 259 HB3 ARG 34 1HB ARG 34 -1.494 -3.353 1.343 260 HG2 ARG 34 2HG ARG 34 -2.667 -1.418 2.099 261 HG3 ARG 34 1HG ARG 34 -4.225 -2.105 1.662 262 HD2 ARG 34 2HD ARG 34 -4.006 -2.326 4.039 263 HD3 ARG 34 1HD ARG 34 -3.782 -3.932 3.346 264 HE ARG 34 HE ARG 34 -1.280 -2.465 3.718 265 HH11 ARG 34 1HH1 ARG 34 -2.670 -2.651 6.409 266 HH12 ARG 34 2HH1 ARG 34 -2.041 -4.146 7.017 267 HH21 ARG 34 1HH2 ARG 34 -0.883 -5.219 3.929 268 HH22 ARG 34 2HH2 ARG 34 -1.030 -5.601 5.611 269 H ARG 35 H ARG 35 -3.407 -0.698 -1.358 270 HA ARG 35 HA ARG 35 -0.731 0.518 -1.515 271 HB2 ARG 35 2HB ARG 35 -3.393 1.728 -2.275 272 HB3 ARG 35 1HB ARG 35 -1.802 2.243 -2.808 273 HG2 ARG 35 2HG ARG 35 -1.802 0.752 -4.484 274 HG3 ARG 35 1HG ARG 35 -2.201 -0.564 -3.380 275 HD2 ARG 35 2HD ARG 35 -4.577 0.020 -3.502 276 HD3 ARG 35 1HD ARG 35 -4.204 1.390 -4.550 277 HE ARG 35 HE ARG 35 -4.520 -1.301 -5.443 278 HH11 ARG 35 1HH2 ARG 35 -3.828 1.678 -6.607 279 HH12 ARG 35 2HH2 ARG 35 -2.698 1.180 -7.823 280 HH21 ARG 35 1HH1 ARG 35 -2.452 -2.071 -6.638 281 HH22 ARG 35 2HH1 ARG 35 -1.919 -0.942 -7.839 282 H GLY 36 H GLY 36 0.014 1.908 0.034 283 HA2 GLY 36 2HA GLY 36 -1.908 3.444 1.672 284 HA3 GLY 36 1HA GLY 36 -0.851 2.339 2.525 285 H CYS 37 H CYS 37 0.258 3.952 3.611 286 HA CYS 37 HA CYS 37 2.018 5.682 1.923 287 HB2 CYS 37 2HB CYS 37 0.099 6.833 3.156 288 HB3 CYS 37 1HB CYS 37 0.924 6.398 4.651 289 H GLY 38 H GLY 38 4.182 5.272 2.307 290 HA2 GLY 38 2HA GLY 38 6.045 5.100 3.896 291 HA3 GLY 38 1HA GLY 38 4.964 4.220 4.979 292 H CYS 39 H CYS 39 6.528 2.460 4.956 293 HA CYS 39 HA CYS 39 6.471 0.905 2.412 294 HB2 CYS 39 2HB CYS 39 8.508 0.791 4.662 295 HB3 CYS 39 1HB CYS 39 8.526 -0.218 3.216 296 H PHE 40 H PHE 40 6.617 -1.493 2.859 297 HA PHE 40 HA PHE 40 4.345 -2.278 4.438 298 HB2 PHE 40 2HB PHE 40 5.788 -4.627 4.052 299 HB3 PHE 40 1HB PHE 40 4.557 -3.988 2.963 300 HD1 PHE 40 2HD PHE 40 5.172 -2.691 0.981 301 HD2 PHE 40 1HD PHE 40 8.146 -4.404 3.557 302 HE1 PHE 40 2HE PHE 40 6.897 -2.290 -0.754 303 HE2 PHE 40 1HE PHE 40 9.879 -3.999 1.829 304 HZ PHE 40 HZ PHE 40 9.259 -2.939 -0.332 305 H THR 41 H THR 41 4.891 -4.392 5.928 306 HA THR 41 HA THR 41 6.433 -3.212 8.131 307 HB THR 41 HB THR 41 4.252 -5.168 7.904 308 HG1 THR 41 1HG THR 41 3.871 -3.222 8.824 309 HG21 THR 41 3HG2 THR 41 6.369 -5.490 10.057 310 HG22 THR 41 1HG2 THR 41 5.969 -6.678 8.815 311 HG23 THR 41 2HG2 THR 41 4.788 -6.273 10.061 312 HA PRO 42 HA PRO 42 8.923 -7.189 7.844 313 HB2 PRO 42 2HB PRO 42 8.144 -9.193 6.139 314 HB3 PRO 42 1HB PRO 42 7.531 -9.021 7.793 315 HG2 PRO 42 2HG PRO 42 6.139 -8.499 5.230 316 HG3 PRO 42 1HG PRO 42 5.454 -8.806 6.833 317 HD2 PRO 42 2HD PRO 42 5.759 -6.277 5.517 318 HD3 PRO 42 1HD PRO 42 5.139 -6.563 7.154 319 H ARG 43 H ARG 43 9.444 -5.019 6.156 320 HA ARG 43 HA ARG 43 9.924 -5.578 3.430 321 HB2 ARG 43 2HB ARG 43 11.839 -3.941 3.642 322 HB3 ARG 43 1HB ARG 43 10.302 -3.349 4.248 323 HG2 ARG 43 2HG ARG 43 11.097 -4.285 6.544 324 HG3 ARG 43 1HG ARG 43 12.698 -4.279 5.805 325 HD2 ARG 43 2HD ARG 43 11.070 -1.808 5.492 326 HD3 ARG 43 1HD ARG 43 11.714 -2.139 7.100 327 HE ARG 43 HE ARG 43 13.972 -2.406 5.785 328 HH11 ARG 43 1HH1 ARG 43 11.718 -1.045 3.787 329 HH12 ARG 43 2HH1 ARG 43 12.542 0.460 3.549 330 HH21 ARG 43 1HH2 ARG 43 14.899 -0.142 6.024 331 HH22 ARG 43 2HH2 ARG 43 14.345 0.972 4.818 332 H GLY 44 H GLY 44 11.578 -6.677 2.355 333 HA2 GLY 44 2HA GLY 44 14.067 -7.388 3.387 334 HA3 GLY 44 1HA GLY 44 12.971 -8.684 3.854 335 H ASP 45 H ASP 45 14.367 -10.026 2.410 336 HA ASP 45 HA ASP 45 14.054 -9.498 -0.485 337 HB2 ASP 45 2HB ASP 45 15.566 -11.689 0.969 338 HB3 ASP 45 1HB ASP 45 15.630 -11.368 -0.765 339 H MET 46 H MET 46 13.075 -11.903 1.951 340 HA MET 46 HA MET 46 12.007 -13.864 0.266 341 HB2 MET 46 2HB MET 46 11.876 -13.287 3.008 342 HB3 MET 46 1HB MET 46 10.197 -13.383 2.473 343 HG2 MET 46 2HG MET 46 12.167 -15.476 1.589 344 HG3 MET 46 1HG MET 46 11.433 -15.581 3.189 345 HE1 MET 46 3HE MET 46 9.907 -16.382 -0.886 346 HE2 MET 46 1HE MET 46 10.732 -17.608 0.087 347 HE3 MET 46 2HE MET 46 11.508 -16.056 -0.225 348 HA PRO 47 HA PRO 47 7.963 -11.392 -0.112 349 HB2 PRO 47 2HB PRO 47 7.829 -8.943 1.126 350 HB3 PRO 47 1HB PRO 47 7.401 -10.464 1.929 351 HG2 PRO 47 2HG PRO 47 9.802 -8.756 2.321 352 HG3 PRO 47 1HG PRO 47 9.071 -9.934 3.424 353 HD2 PRO 47 2HD PRO 47 11.381 -10.321 1.788 354 HD3 PRO 47 1HD PRO 47 10.549 -11.549 2.760 355 H GLY 48 H GLY 48 7.270 -9.378 -1.433 356 HA2 GLY 48 2HA GLY 48 9.469 -7.720 -2.410 357 HA3 GLY 48 1HA GLY 48 8.787 -8.819 -3.601 358 HA PRO 49 HA PRO 49 5.134 -5.958 -2.638 359 HB2 PRO 49 2HB PRO 49 5.255 -4.359 -0.414 360 HB3 PRO 49 1HB PRO 49 4.616 -6.009 -0.404 361 HG2 PRO 49 2HG PRO 49 7.210 -5.013 0.654 362 HG3 PRO 49 1HG PRO 49 6.274 -6.426 1.143 363 HD2 PRO 49 2HD PRO 49 8.577 -6.444 -0.504 364 HD3 PRO 49 1HD PRO 49 7.442 -7.784 -0.249 365 H TYR 50 H TYR 50 4.871 -3.222 -2.189 366 HA TYR 50 HA TYR 50 7.328 -2.092 -3.465 367 HB2 TYR 50 2HB TYR 50 4.710 -2.401 -4.594 368 HB3 TYR 50 1HB TYR 50 5.097 -0.685 -4.474 369 HD1 TYR 50 2HD TYR 50 7.352 0.117 -5.381 370 HD2 TYR 50 1HD TYR 50 5.712 -3.757 -6.253 371 HE1 TYR 50 2HE TYR 50 8.869 -0.086 -7.333 372 HE2 TYR 50 1HE TYR 50 7.228 -3.958 -8.205 373 HH TYR 50 HH TYR 50 8.837 -1.393 -9.555 374 H CYS 51 H CYS 51 8.123 -0.421 -2.367 375 HA CYS 51 HA CYS 51 6.270 1.412 -0.841 376 HB2 CYS 51 2HB CYS 51 8.176 0.159 0.447 377 HB3 CYS 51 1HB CYS 51 9.250 1.247 -0.423 378 H CYS 52 H CYS 52 6.425 3.566 -1.489 379 HA CYS 52 HA CYS 52 8.482 4.239 -3.557 380 HB2 CYS 52 2HB CYS 52 6.466 3.782 -4.800 381 HB3 CYS 52 1HB CYS 52 5.503 4.742 -3.691 382 H GLU 53 H GLU 53 8.672 6.652 -3.801 383 HA GLU 53 HA GLU 53 7.984 7.985 -1.216 384 HB2 GLU 53 2HB GLU 53 10.360 8.769 -2.899 385 HB3 GLU 53 1HB GLU 53 10.048 9.108 -1.196 386 HG2 GLU 53 2HG GLU 53 10.962 7.153 -0.536 387 HG3 GLU 53 1HG GLU 53 10.070 6.240 -1.751 388 H SER 54 H SER 54 6.011 8.314 -2.803 389 HA SER 54 HA SER 54 6.180 11.098 -3.697 390 HB2 SER 54 2HB SER 54 5.062 9.339 -5.804 391 HB3 SER 54 1HB SER 54 6.024 10.807 -5.960 392 HG SER 54 HG SER 54 7.642 9.520 -6.292 393 H ASP 55 H ASP 55 4.032 12.007 -3.971 394 HA ASP 55 HA ASP 55 2.040 10.714 -2.325 395 HB2 ASP 55 2HB ASP 55 1.344 12.908 -4.256 396 HB3 ASP 55 1HB ASP 55 0.749 12.627 -2.621 397 H LYS 56 H LYS 56 -0.051 9.946 -3.042 398 HA LYS 56 HA LYS 56 -1.224 8.400 -4.395 399 HB2 LYS 56 2HB LYS 56 -0.590 10.546 -6.442 400 HB3 LYS 56 1HB LYS 56 -1.924 9.393 -6.518 401 HG2 LYS 56 2HG LYS 56 -2.811 10.328 -4.387 402 HG3 LYS 56 1HG LYS 56 -1.521 11.530 -4.404 403 HD2 LYS 56 2HD LYS 56 -2.848 12.835 -5.672 404 HD3 LYS 56 1HD LYS 56 -2.673 11.650 -6.967 405 HE2 LYS 56 2HE LYS 56 -5.049 12.028 -6.512 406 HE3 LYS 56 1HE LYS 56 -4.607 10.388 -6.038 407 HZ1 LYS 56 3HZ LYS 56 -5.941 11.472 -4.342 408 HZ2 LYS 56 1HZ LYS 56 -4.803 12.722 -4.213 409 HZ3 LYS 56 2HZ LYS 56 -4.380 11.140 -3.758 410 H CYS 57 H CYS 57 1.703 7.951 -4.258 411 HA CYS 57 HA CYS 57 2.645 7.317 -6.916 412 HB2 CYS 57 2HB CYS 57 4.025 7.702 -4.753 413 HB3 CYS 57 1HB CYS 57 3.688 6.003 -4.415 414 H ASN 58 H ASN 58 0.791 5.472 -4.514 415 HA ASN 58 HA ASN 58 1.266 3.006 -6.002 416 HB2 ASN 58 2HB ASN 58 -0.611 2.192 -4.340 417 HB3 ASN 58 1HB ASN 58 1.039 2.445 -3.779 418 HD21 ASN 58 1HD2 ASN 58 -0.033 2.767 -1.602 419 HD22 ASN 58 2HD2 ASN 58 -0.711 4.275 -1.233 420 H LEU 59 H LEU 59 -0.257 5.439 -7.121 421 HA LEU 59 HA LEU 59 -2.623 3.851 -8.031 422 HB2 LEU 59 2HB LEU 59 -3.079 5.921 -6.536 423 HB3 LEU 59 1HB LEU 59 -2.607 6.866 -7.949 424 HG LEU 59 HG LEU 59 -5.065 6.482 -7.866 425 HD11 LEU 59 1HD1 LEU 59 -5.242 6.146 -10.147 426 HD12 LEU 59 2HD1 LEU 59 -4.103 4.800 -10.144 427 HD13 LEU 59 3HD1 LEU 59 -3.510 6.458 -10.031 428 HD21 LEU 59 3HD2 LEU 59 -4.415 4.004 -6.922 429 HD22 LEU 59 1HD2 LEU 59 -4.760 3.632 -8.611 430 HD23 LEU 59 2HD2 LEU 59 -5.988 4.406 -7.610
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