NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
493737 | 2l6o | 17320 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 -17.566 -16.088 7.279 2 HA MET 1 HA MET 1 -18.623 -14.018 7.085 3 HB2 MET 1 1HB MET 1 -19.589 -13.575 9.211 4 HB3 MET 1 2HB MET 1 -19.512 -15.294 8.942 5 HG2 MET 1 1HG MET 1 -18.324 -15.677 10.770 6 HG3 MET 1 2HG MET 1 -17.169 -14.395 10.461 7 HE1 MET 1 3HE MET 1 -17.373 -11.921 11.343 8 HE2 MET 1 1HE MET 1 -18.863 -11.742 10.388 9 HE3 MET 1 2HE MET 1 -18.840 -11.260 12.100 10 H GLY 2 H GLY 2 -18.216 -11.994 6.558 11 HA2 GLY 2 1HA GLY 2 -16.835 -10.196 8.342 12 HA3 GLY 2 2HA GLY 2 -15.925 -10.546 6.842 13 H ALA 3 H ALA 3 -17.183 -7.983 7.630 14 HA ALA 3 HA ALA 3 -19.714 -7.976 6.041 15 HB1 ALA 3 1HB ALA 3 -18.971 -6.231 8.403 16 HB2 ALA 3 2HB ALA 3 -20.550 -6.344 7.606 17 HB3 ALA 3 3HB ALA 3 -19.915 -7.736 8.498 18 H GLY 4 H GLY 4 -16.815 -7.178 5.081 19 HA2 GLY 4 1HA GLY 4 -17.842 -5.331 3.224 20 HA3 GLY 4 2HA GLY 4 -16.694 -4.506 4.312 21 H GLN 5 H GLN 5 -15.950 -4.702 1.703 22 HA GLN 5 HA GLN 5 -14.512 -7.159 1.109 23 HB2 GLN 5 1HB GLN 5 -14.495 -4.420 -0.213 24 HB3 GLN 5 2HB GLN 5 -13.894 -5.886 -0.975 25 HG2 GLN 5 1HG GLN 5 -16.797 -5.927 -0.167 26 HG3 GLN 5 2HG GLN 5 -16.335 -4.796 -1.441 27 HE21 GLN 5 1HE2 GLN 5 -15.140 -8.166 -0.788 28 HE22 GLN 5 2HE2 GLN 5 -15.545 -8.747 -2.388 29 H THR 6 H THR 6 -13.640 -5.397 3.466 30 HA THR 6 HA THR 6 -11.389 -3.810 2.687 31 HB THR 6 HB THR 6 -11.162 -3.495 5.173 32 HG1 THR 6 1HG THR 6 -12.807 -4.352 6.457 33 HG21 THR 6 3HG2 THR 6 -12.736 -2.226 3.612 34 HG22 THR 6 1HG2 THR 6 -13.121 -2.183 5.347 35 HG23 THR 6 2HG2 THR 6 -14.049 -3.233 4.255 36 HA PRO 7 HA PRO 7 -8.229 -6.681 2.702 37 HB2 PRO 7 1HB PRO 7 -5.981 -5.404 3.584 38 HB3 PRO 7 2HB PRO 7 -6.807 -5.008 2.052 39 HG2 PRO 7 1HG PRO 7 -7.028 -3.583 4.711 40 HG3 PRO 7 2HG PRO 7 -6.848 -2.876 3.078 41 HD2 PRO 7 1HD PRO 7 -9.265 -3.126 4.364 42 HD3 PRO 7 2HD PRO 7 -9.110 -3.199 2.586 43 H HIS 8 H HIS 8 -7.936 -4.931 5.886 44 HA HIS 8 HA HIS 8 -8.206 -7.397 7.378 45 HB2 HIS 8 1HB HIS 8 -5.698 -6.980 6.551 46 HB3 HIS 8 2HB HIS 8 -5.684 -5.711 7.763 47 HD1 HIS 8 1HD HIS 8 -4.385 -6.724 9.837 48 HD2 HIS 8 2HD HIS 8 -6.570 -9.529 7.586 49 HE1 HIS 8 1HE HIS 8 -4.110 -8.949 10.998 50 HA PRO 9 HA PRO 9 -9.884 -3.945 9.844 51 HB2 PRO 9 1HB PRO 9 -10.072 -5.082 12.355 52 HB3 PRO 9 2HB PRO 9 -11.222 -5.409 11.042 53 HG2 PRO 9 1HG PRO 9 -8.867 -7.073 11.936 54 HG3 PRO 9 2HG PRO 9 -10.502 -7.627 11.466 55 HD2 PRO 9 1HD PRO 9 -8.332 -7.730 9.780 56 HD3 PRO 9 2HD PRO 9 -9.996 -7.459 9.181 57 H GLN 10 H GLN 10 -7.044 -5.784 10.846 58 HA GLN 10 HA GLN 10 -6.239 -3.870 12.846 59 HB2 GLN 10 1HB GLN 10 -4.462 -5.991 11.633 60 HB3 GLN 10 2HB GLN 10 -4.403 -5.300 13.245 61 HG2 GLN 10 1HG GLN 10 -6.713 -6.361 13.629 62 HG3 GLN 10 2HG GLN 10 -6.436 -7.277 12.140 63 HE21 GLN 10 1HE2 GLN 10 -6.747 -8.344 14.864 64 HE22 GLN 10 2HE2 GLN 10 -5.205 -9.094 15.280 65 H LEU 11 H LEU 11 -5.862 -3.901 9.472 66 HA LEU 11 HA LEU 11 -3.349 -2.475 9.172 67 HB2 LEU 11 1HB LEU 11 -4.176 -3.704 7.330 68 HB3 LEU 11 2HB LEU 11 -5.792 -3.039 7.448 69 HG LEU 11 HG LEU 11 -3.629 -1.040 6.910 70 HD11 LEU 11 1HD1 LEU 11 -4.528 -3.094 4.858 71 HD12 LEU 11 2HD1 LEU 11 -2.883 -2.888 5.497 72 HD13 LEU 11 3HD1 LEU 11 -3.605 -1.625 4.494 73 HD21 LEU 11 3HD2 LEU 11 -5.952 -0.269 6.935 74 HD22 LEU 11 1HD2 LEU 11 -6.418 -1.509 5.761 75 HD23 LEU 11 2HD2 LEU 11 -5.330 -0.195 5.297 76 H ILE 12 H ILE 12 -3.041 -0.404 9.765 77 HA ILE 12 HA ILE 12 -5.424 1.287 10.339 78 HB ILE 12 HB ILE 12 -2.619 1.234 11.437 79 HG12 ILE 12 1HG1 ILE 12 -4.312 -0.251 12.492 80 HG13 ILE 12 2HG1 ILE 12 -3.681 0.964 13.583 81 HG21 ILE 12 1HG2 ILE 12 -4.624 3.498 11.684 82 HG22 ILE 12 2HG2 ILE 12 -3.234 3.238 12.785 83 HG23 ILE 12 3HG2 ILE 12 -2.961 3.562 11.078 84 HD11 ILE 12 3HD1 ILE 12 -6.058 0.641 13.940 85 HD12 ILE 12 1HD1 ILE 12 -5.808 2.264 13.301 86 HD13 ILE 12 2HD1 ILE 12 -6.430 0.972 12.242 87 H TRP 13 H TRP 13 -5.967 2.468 8.724 88 HA TRP 13 HA TRP 13 -4.399 3.019 6.421 89 HB2 TRP 13 1HB TRP 13 -6.824 4.492 7.472 90 HB3 TRP 13 2HB TRP 13 -6.207 4.566 5.859 91 HD1 TRP 13 HD TRP 13 -8.621 2.680 7.969 92 HE1 TRP 13 1HE TRP 13 -9.644 0.712 6.693 93 HE3 TRP 13 3HE TRP 13 -5.653 2.797 3.789 94 HZ2 TRP 13 2HZ TRP 13 -9.132 -0.741 4.294 95 HZ3 TRP 13 3HZ TRP 13 -5.951 1.078 2.023 96 HH2 TRP 13 HH TRP 13 -7.629 -0.733 2.288 97 HA PRO 14 HA PRO 14 -4.474 4.933 4.817 98 HB2 PRO 14 1HB PRO 14 -2.255 5.843 3.635 99 HB3 PRO 14 2HB PRO 14 -3.581 6.929 4.127 100 HG2 PRO 14 1HG PRO 14 -1.022 6.331 5.616 101 HG3 PRO 14 2HG PRO 14 -1.752 7.946 5.295 102 HD2 PRO 14 1HD PRO 14 -2.150 6.712 7.645 103 HD3 PRO 14 2HD PRO 14 -3.512 7.555 6.857 104 H ALA 15 H ALA 15 -3.234 3.772 3.016 105 HA ALA 15 HA ALA 15 -1.193 1.912 4.061 106 HB1 ALA 15 1HB ALA 15 -3.416 0.808 4.382 107 HB2 ALA 15 2HB ALA 15 -3.710 0.965 2.627 108 HB3 ALA 15 3HB ALA 15 -2.373 -0.033 3.226 109 H LEU 16 H LEU 16 -0.336 0.587 2.319 110 HA LEU 16 HA LEU 16 -0.160 1.975 -0.303 111 HB2 LEU 16 1HB LEU 16 1.985 1.306 1.741 112 HB3 LEU 16 2HB LEU 16 2.406 1.305 0.045 113 HG LEU 16 HG LEU 16 1.133 3.694 1.435 114 HD11 LEU 16 1HD1 LEU 16 3.354 3.183 2.396 115 HD12 LEU 16 2HD1 LEU 16 3.391 4.675 1.441 116 HD13 LEU 16 3HD1 LEU 16 4.067 3.174 0.770 117 HD21 LEU 16 3HD2 LEU 16 0.914 3.524 -1.128 118 HD22 LEU 16 1HD2 LEU 16 2.675 3.605 -1.187 119 HD23 LEU 16 2HD2 LEU 16 1.751 4.960 -0.521 120 H LEU 17 H LEU 17 -0.999 0.509 -1.632 121 HA LEU 17 HA LEU 17 -0.435 -2.379 -1.294 122 HB2 LEU 17 1HB LEU 17 -2.755 -1.723 -1.778 123 HB3 LEU 17 2HB LEU 17 -2.224 -0.738 -3.111 124 HG LEU 17 HG LEU 17 -1.443 -2.930 -4.253 125 HD11 LEU 17 1HD1 LEU 17 -3.237 -4.075 -2.062 126 HD12 LEU 17 2HD1 LEU 17 -1.519 -4.444 -2.335 127 HD13 LEU 17 3HD1 LEU 17 -2.727 -4.935 -3.523 128 HD21 LEU 17 3HD2 LEU 17 -4.402 -2.422 -3.731 129 HD22 LEU 17 1HD2 LEU 17 -3.737 -3.410 -5.047 130 HD23 LEU 17 2HD2 LEU 17 -3.400 -1.680 -4.998 131 H LYS 18 H LYS 18 0.887 -3.533 -2.917 132 HA LYS 18 HA LYS 18 2.039 -1.850 -5.058 133 HB2 LYS 18 1HB LYS 18 3.514 -1.990 -2.821 134 HB3 LYS 18 2HB LYS 18 4.092 -3.466 -3.575 135 HG2 LYS 18 1HG LYS 18 3.949 -0.736 -4.919 136 HG3 LYS 18 2HG LYS 18 5.402 -1.405 -4.162 137 HD2 LYS 18 1HD LYS 18 3.960 -2.483 -6.627 138 HD3 LYS 18 2HD LYS 18 5.467 -1.572 -6.579 139 HE2 LYS 18 1HE LYS 18 6.707 -3.349 -6.127 140 HE3 LYS 18 2HE LYS 18 5.701 -3.818 -4.773 141 HZ1 LYS 18 3HZ LYS 18 5.174 -4.514 -7.599 142 HZ2 LYS 18 1HZ LYS 18 4.187 -4.883 -6.357 143 HZ3 LYS 18 2HZ LYS 18 5.680 -5.537 -6.369 144 H GLN 19 H GLN 19 0.794 -3.008 -6.549 145 HA GLN 19 HA GLN 19 0.131 -5.663 -6.129 146 HB2 GLN 19 1HB GLN 19 0.097 -4.272 -8.839 147 HB3 GLN 19 2HB GLN 19 -0.881 -5.640 -8.315 148 HG2 GLN 19 1HG GLN 19 -1.703 -3.951 -6.432 149 HG3 GLN 19 2HG GLN 19 -1.119 -2.733 -7.570 150 HE21 GLN 19 1HE2 GLN 19 -3.345 -5.371 -7.100 151 HE22 GLN 19 2HE2 GLN 19 -4.545 -4.816 -8.302 152 H GLN 20 H GLN 20 0.523 -7.610 -7.460 153 HA GLN 20 HA GLN 20 3.317 -8.009 -7.576 154 HB2 GLN 20 1HB GLN 20 1.161 -9.638 -7.240 155 HB3 GLN 20 2HB GLN 20 1.553 -10.028 -8.918 156 HG2 GLN 20 1HG GLN 20 3.610 -10.010 -6.669 157 HG3 GLN 20 2HG GLN 20 2.657 -11.423 -7.091 158 HE21 GLN 20 1HE2 GLN 20 2.923 -12.336 -9.265 159 HE22 GLN 20 2HE2 GLN 20 4.418 -12.145 -10.130 160 H GLY 21 H GLY 21 4.591 -8.318 -9.203 161 HA2 GLY 21 1HA GLY 21 5.695 -7.922 -11.118 162 HA3 GLY 21 2HA GLY 21 4.180 -8.009 -12.004 163 H CYS 22 H CYS 22 2.941 -5.605 -10.496 164 HA CYS 22 HA CYS 22 4.124 -3.539 -12.172 165 HB2 CYS 22 1HB CYS 22 1.908 -3.603 -10.079 166 HB3 CYS 22 2HB CYS 22 2.330 -2.164 -10.987 167 HG CYS 22 HG CYS 22 0.243 -2.938 -12.017 168 H ASN 23 H ASN 23 4.290 -1.322 -10.978 169 HA ASN 23 HA ASN 23 6.150 -1.583 -8.659 170 HB2 ASN 23 1HB ASN 23 6.561 0.376 -10.923 171 HB3 ASN 23 2HB ASN 23 7.671 0.016 -9.677 172 HD21 ASN 23 1HD2 ASN 23 6.952 -0.652 -12.889 173 HD22 ASN 23 2HD2 ASN 23 7.574 -2.295 -12.990 174 H GLU 24 H GLU 24 3.470 0.130 -10.194 175 HA GLU 24 HA GLU 24 3.817 2.651 -8.936 176 HB2 GLU 24 1HB GLU 24 2.478 2.153 -11.005 177 HB3 GLU 24 2HB GLU 24 1.300 1.326 -9.998 178 HG2 GLU 24 1HG GLU 24 1.920 4.011 -8.945 179 HG3 GLU 24 2HG GLU 24 1.490 4.112 -10.634 180 H LEU 25 H LEU 25 3.799 2.864 -6.764 181 HA LEU 25 HA LEU 25 2.350 1.108 -4.969 182 HB2 LEU 25 1HB LEU 25 3.680 3.815 -4.680 183 HB3 LEU 25 2HB LEU 25 2.395 3.460 -3.580 184 HG LEU 25 HG LEU 25 4.475 2.892 -2.555 185 HD11 LEU 25 1HD1 LEU 25 3.122 0.268 -3.178 186 HD12 LEU 25 2HD1 LEU 25 2.382 1.497 -2.174 187 HD13 LEU 25 3HD1 LEU 25 3.937 0.772 -1.704 188 HD21 LEU 25 3HD2 LEU 25 4.970 1.182 -5.004 189 HD22 LEU 25 1HD2 LEU 25 5.763 0.874 -3.461 190 HD23 LEU 25 2HD2 LEU 25 5.983 2.426 -4.287 191 H LEU 26 H LEU 26 0.348 1.264 -4.253 192 HA LEU 26 HA LEU 26 -1.506 3.168 -5.548 193 HB2 LEU 26 1HB LEU 26 -1.729 0.304 -4.961 194 HB3 LEU 26 2HB LEU 26 -3.000 1.200 -4.171 195 HG LEU 26 HG LEU 26 -3.882 0.462 -6.181 196 HD11 LEU 26 1HD1 LEU 26 -4.643 2.424 -7.248 197 HD12 LEU 26 2HD1 LEU 26 -3.220 3.364 -6.788 198 HD13 LEU 26 3HD1 LEU 26 -4.404 2.847 -5.550 199 HD21 LEU 26 3HD2 LEU 26 -1.963 -0.114 -7.468 200 HD22 LEU 26 1HD2 LEU 26 -1.427 1.582 -7.566 201 HD23 LEU 26 2HD2 LEU 26 -2.890 1.043 -8.414 202 HA PRO 27 HA PRO 27 -1.134 4.636 -1.146 203 HB2 PRO 27 1HB PRO 27 -1.771 7.208 -1.648 204 HB3 PRO 27 2HB PRO 27 -0.115 6.591 -1.939 205 HG2 PRO 27 1HG PRO 27 -2.323 6.998 -3.967 206 HG3 PRO 27 2HG PRO 27 -0.606 7.493 -4.085 207 HD2 PRO 27 1HD PRO 27 -1.537 5.189 -5.199 208 HD3 PRO 27 2HD PRO 27 0.092 5.306 -4.512 209 H LEU 28 H LEU 28 -2.886 4.657 0.149 210 HA LEU 28 HA LEU 28 -5.611 5.019 -0.967 211 HB2 LEU 28 1HB LEU 28 -4.574 2.782 0.830 212 HB3 LEU 28 2HB LEU 28 -6.254 3.031 0.420 213 HG LEU 28 HG LEU 28 -4.260 2.581 -1.828 214 HD11 LEU 28 1HD1 LEU 28 -4.556 0.164 -1.654 215 HD12 LEU 28 2HD1 LEU 28 -5.357 0.376 -0.075 216 HD13 LEU 28 3HD1 LEU 28 -3.654 0.859 -0.299 217 HD21 LEU 28 3HD2 LEU 28 -7.183 1.835 -1.456 218 HD22 LEU 28 1HD2 LEU 28 -6.192 1.454 -2.884 219 HD23 LEU 28 2HD2 LEU 28 -6.509 3.129 -2.477 220 H ARG 29 H ARG 29 -6.052 6.962 0.122 221 HA ARG 29 HA ARG 29 -4.713 7.779 2.497 222 HB2 ARG 29 1HB ARG 29 -7.404 8.716 1.406 223 HB3 ARG 29 2HB ARG 29 -6.564 9.415 2.772 224 HG2 ARG 29 1HG ARG 29 -4.598 9.886 1.140 225 HG3 ARG 29 2HG ARG 29 -5.802 9.581 -0.136 226 HD2 ARG 29 1HD ARG 29 -7.325 11.217 1.156 227 HD3 ARG 29 2HD ARG 29 -5.874 11.644 2.086 228 HE ARG 29 HE ARG 29 -5.639 11.845 -0.854 229 HH11 ARG 29 1HH1 ARG 29 -6.458 13.634 2.108 230 HH12 ARG 29 2HH1 ARG 29 -6.432 15.179 1.312 231 HH21 ARG 29 1HH2 ARG 29 -5.546 13.779 -1.829 232 HH22 ARG 29 2HH2 ARG 29 -5.865 15.285 -0.997 233 H THR 30 H THR 30 -7.719 5.921 2.015 234 HA THR 30 HA THR 30 -7.829 5.154 4.768 235 HB THR 30 HB THR 30 -8.707 7.426 4.996 236 HG1 THR 30 1HG THR 30 -10.117 6.899 6.339 237 HG21 THR 30 3HG2 THR 30 -10.865 8.085 4.064 238 HG22 THR 30 1HG2 THR 30 -10.994 6.551 3.193 239 HG23 THR 30 2HG2 THR 30 -9.735 7.715 2.744 240 H ASN 31 H ASN 31 -10.110 4.121 5.058 241 HA ASN 31 HA ASN 31 -10.225 1.829 3.455 242 HB2 ASN 31 1HB ASN 31 -11.172 2.491 5.840 243 HB3 ASN 31 2HB ASN 31 -12.640 2.874 4.970 244 HD21 ASN 31 1HD2 ASN 31 -13.187 0.996 3.173 245 HD22 ASN 31 2HD2 ASN 31 -13.275 -0.551 4.005 246 H ASP 32 H ASP 32 -11.886 4.933 2.983 247 HA ASP 32 HA ASP 32 -13.881 4.092 1.123 248 HB2 ASP 32 1HB ASP 32 -12.316 6.690 1.053 249 HB3 ASP 32 2HB ASP 32 -13.876 6.370 0.275 250 H ASP 33 H ASP 33 -10.412 4.941 0.746 251 HA ASP 33 HA ASP 33 -10.433 5.095 -2.124 252 HB2 ASP 33 1HB ASP 33 -8.367 5.079 0.068 253 HB3 ASP 33 2HB ASP 33 -7.828 4.530 -1.474 254 H TRP 34 H TRP 34 -10.013 2.509 0.189 255 HA TRP 34 HA TRP 34 -9.182 0.505 -1.756 256 HB2 TRP 34 1HB TRP 34 -8.605 0.343 0.577 257 HB3 TRP 34 2HB TRP 34 -10.302 0.337 1.077 258 HD1 TRP 34 HD TRP 34 -11.634 -1.929 0.833 259 HE1 TRP 34 1HE TRP 34 -10.948 -4.354 0.329 260 HE3 TRP 34 3HE TRP 34 -6.911 -1.081 -0.918 261 HZ2 TRP 34 2HZ TRP 34 -8.552 -5.744 -0.420 262 HZ3 TRP 34 3HZ TRP 34 -5.448 -2.963 -1.564 263 HH2 TRP 34 HH TRP 34 -6.249 -5.315 -1.315 264 H GLN 35 H GLN 35 -12.307 1.461 -0.223 265 HA GLN 35 HA GLN 35 -13.841 -0.604 -1.515 266 HB2 GLN 35 1HB GLN 35 -14.601 2.151 -0.461 267 HB3 GLN 35 2HB GLN 35 -15.787 0.991 -1.026 268 HG2 GLN 35 1HG GLN 35 -13.802 0.258 1.167 269 HG3 GLN 35 2HG GLN 35 -15.255 1.188 1.492 270 HE21 GLN 35 1HE2 GLN 35 -15.760 -1.255 -1.045 271 HE22 GLN 35 2HE2 GLN 35 -16.599 -2.342 0.030 272 H ARG 36 H ARG 36 -12.911 2.669 -2.446 273 HA ARG 36 HA ARG 36 -14.275 2.813 -4.940 274 HB2 ARG 36 1HB ARG 36 -11.758 4.129 -3.879 275 HB3 ARG 36 2HB ARG 36 -12.344 4.442 -5.518 276 HG2 ARG 36 1HG ARG 36 -14.359 5.399 -4.785 277 HG3 ARG 36 2HG ARG 36 -14.242 4.710 -3.169 278 HD2 ARG 36 1HD ARG 36 -12.412 6.226 -2.615 279 HD3 ARG 36 2HD ARG 36 -12.466 6.940 -4.241 280 HE ARG 36 HE ARG 36 -14.991 7.299 -3.554 281 HH11 ARG 36 1HH1 ARG 36 -12.074 8.302 -1.803 282 HH12 ARG 36 2HH1 ARG 36 -12.895 9.018 -0.469 283 HH21 ARG 36 1HH2 ARG 36 -16.135 8.461 -1.961 284 HH22 ARG 36 2HH2 ARG 36 -15.312 9.431 -0.792 285 H PHE 37 H PHE 37 -11.477 0.788 -4.131 286 HA PHE 37 HA PHE 37 -10.646 0.326 -6.823 287 HB2 PHE 37 1HB PHE 37 -9.487 -0.264 -4.593 288 HB3 PHE 37 2HB PHE 37 -10.452 -1.732 -4.612 289 HD1 PHE 37 1HD PHE 37 -10.391 -2.972 -7.112 290 HD2 PHE 37 2HD PHE 37 -7.336 -0.390 -5.458 291 HE1 PHE 37 1HE PHE 37 -8.765 -3.905 -8.668 292 HE2 PHE 37 2HE PHE 37 -5.689 -1.345 -7.027 293 HZ PHE 37 HZ PHE 37 -6.391 -3.090 -8.663 294 H CYS 38 H CYS 38 -12.550 -1.921 -4.738 295 HA CYS 38 HA CYS 38 -13.481 -3.548 -6.930 296 HB2 CYS 38 1HB CYS 38 -14.878 -4.587 -5.192 297 HB3 CYS 38 2HB CYS 38 -13.207 -4.327 -4.664 298 HG CYS 38 HG CYS 38 -14.168 -3.794 -2.556 299 H ALA 39 H ALA 39 -14.721 -0.602 -5.586 300 HA ALA 39 HA ALA 39 -17.416 -0.738 -6.573 301 HB1 ALA 39 1HB ALA 39 -17.363 1.709 -6.477 302 HB2 ALA 39 2HB ALA 39 -16.575 1.046 -5.033 303 HB3 ALA 39 3HB ALA 39 -15.595 1.696 -6.360 304 H ASP 40 H ASP 40 -14.293 -0.160 -8.143 305 HA ASP 40 HA ASP 40 -15.706 0.776 -10.550 306 HB2 ASP 40 1HB ASP 40 -14.223 2.242 -8.785 307 HB3 ASP 40 2HB ASP 40 -12.967 1.756 -9.920 308 H SER 41 H SER 41 -13.504 -1.341 -9.448 309 HA SER 41 HA SER 41 -13.412 -2.887 -11.894 310 HB2 SER 41 1HB SER 41 -10.872 -1.500 -10.955 311 HB3 SER 41 2HB SER 41 -10.843 -3.025 -11.845 312 HG SER 41 HG SER 41 -12.359 -1.777 -13.345 313 H LYS 42 H LYS 42 -14.266 -4.561 -10.770 314 HA LYS 42 HA LYS 42 -12.974 -5.835 -8.433 315 HB2 LYS 42 1HB LYS 42 -15.316 -6.413 -10.249 316 HB3 LYS 42 2HB LYS 42 -14.680 -7.673 -9.193 317 HG2 LYS 42 1HG LYS 42 -15.545 -6.843 -7.318 318 HG3 LYS 42 2HG LYS 42 -15.260 -5.172 -7.793 319 HD2 LYS 42 1HD LYS 42 -17.661 -5.673 -7.626 320 HD3 LYS 42 2HD LYS 42 -17.207 -5.178 -9.260 321 HE2 LYS 42 1HE LYS 42 -17.257 -7.542 -9.990 322 HE3 LYS 42 2HE LYS 42 -17.647 -8.067 -8.344 323 HZ1 LYS 42 3HZ LYS 42 -19.698 -7.010 -8.457 324 HZ2 LYS 42 1HZ LYS 42 -19.590 -7.789 -9.906 325 HZ3 LYS 42 2HZ LYS 42 -19.340 -6.164 -9.827 326 H HIS 43 H HIS 43 -10.997 -5.510 -9.942 327 HA HIS 43 HA HIS 43 -10.436 -8.105 -11.294 328 HB2 HIS 43 1HB HIS 43 -11.137 -5.999 -12.801 329 HB3 HIS 43 2HB HIS 43 -9.457 -5.562 -12.561 330 HD1 HIS 43 1HD HIS 43 -10.690 -6.156 -15.374 331 HD2 HIS 43 2HD HIS 43 -8.757 -9.033 -12.971 332 HE1 HIS 43 1HE HIS 43 -9.756 -7.940 -16.953 333 H LEU 44 H LEU 44 -7.832 -7.729 -11.994 334 HA LEU 44 HA LEU 44 -5.759 -7.816 -11.168 335 HB2 LEU 44 1HB LEU 44 -6.518 -5.246 -9.939 336 HB3 LEU 44 2HB LEU 44 -4.887 -5.902 -9.894 337 HG LEU 44 HG LEU 44 -6.295 -5.756 -12.553 338 HD11 LEU 44 1HD1 LEU 44 -4.846 -3.515 -11.146 339 HD12 LEU 44 2HD1 LEU 44 -6.587 -3.582 -11.488 340 HD13 LEU 44 3HD1 LEU 44 -5.417 -3.503 -12.834 341 HD21 LEU 44 3HD2 LEU 44 -4.130 -6.947 -12.334 342 HD22 LEU 44 1HD2 LEU 44 -3.426 -5.490 -11.591 343 HD23 LEU 44 2HD2 LEU 44 -3.945 -5.469 -13.298 344 H LEU 45 H LEU 45 -4.716 -7.121 -8.697 345 HA LEU 45 HA LEU 45 -4.407 -7.652 -6.570 346 HB2 LEU 45 1HB LEU 45 -7.272 -8.509 -6.731 347 HB3 LEU 45 2HB LEU 45 -6.395 -8.225 -5.212 348 HG LEU 45 HG LEU 45 -6.784 -6.096 -7.415 349 HD11 LEU 45 1HD1 LEU 45 -8.975 -6.813 -6.560 350 HD12 LEU 45 2HD1 LEU 45 -8.585 -5.188 -5.999 351 HD13 LEU 45 3HD1 LEU 45 -8.432 -6.571 -4.880 352 HD21 LEU 45 3HD2 LEU 45 -6.141 -4.534 -5.633 353 HD22 LEU 45 1HD2 LEU 45 -4.903 -5.791 -5.723 354 HD23 LEU 45 2HD2 LEU 45 -6.094 -5.848 -4.420 355 H GLN 46 H GLN 46 -2.911 -9.078 -7.009 356 HA GLN 46 HA GLN 46 -3.603 -11.933 -7.488 357 HB2 GLN 46 1HB GLN 46 -0.864 -10.617 -7.397 358 HB3 GLN 46 2HB GLN 46 -1.236 -12.254 -7.918 359 HG2 GLN 46 1HG GLN 46 -1.137 -11.288 -9.962 360 HG3 GLN 46 2HG GLN 46 -2.850 -11.009 -9.653 361 HE21 GLN 46 1HE2 GLN 46 -3.492 -8.815 -9.259 362 HE22 GLN 46 2HE2 GLN 46 -2.391 -7.438 -9.431 363 H TYR 47 H TYR 47 -2.837 -13.651 -6.123 364 HA TYR 47 HA TYR 47 -2.653 -12.989 -3.314 365 HB2 TYR 47 1HB TYR 47 -1.842 -15.650 -4.405 366 HB3 TYR 47 2HB TYR 47 -2.644 -15.277 -2.899 367 HD1 TYR 47 1HD TYR 47 -5.010 -13.777 -3.675 368 HD2 TYR 47 2HD TYR 47 -3.190 -17.168 -5.546 369 HE1 TYR 47 1HE TYR 47 -7.119 -14.166 -4.997 370 HE2 TYR 47 2HE TYR 47 -5.292 -17.671 -6.705 371 HH TYR 47 HH TYR 47 -8.174 -15.553 -6.628 372 H GLY 48 H GLY 48 -0.989 -11.721 -2.948 373 HA2 GLY 48 1HA GLY 48 1.631 -12.183 -2.649 374 HA3 GLY 48 2HA GLY 48 1.518 -12.222 -4.395 375 H ASP 49 H ASP 49 -0.824 -10.037 -3.769 376 HA ASP 49 HA ASP 49 0.564 -8.025 -4.936 377 HB2 ASP 49 1HB ASP 49 -2.153 -8.549 -4.021 378 HB3 ASP 49 2HB ASP 49 -1.756 -6.902 -3.678 379 H LYS 50 H LYS 50 0.896 -8.556 -1.746 380 HA LYS 50 HA LYS 50 1.377 -7.579 0.173 381 HB2 LYS 50 1HB LYS 50 3.465 -7.265 -1.300 382 HB3 LYS 50 2HB LYS 50 3.009 -5.570 -1.392 383 HG2 LYS 50 1HG LYS 50 4.299 -5.310 0.442 384 HG3 LYS 50 2HG LYS 50 2.947 -5.963 1.341 385 HD2 LYS 50 1HD LYS 50 4.813 -7.192 2.077 386 HD3 LYS 50 2HD LYS 50 3.984 -8.285 0.965 387 HE2 LYS 50 1HE LYS 50 5.537 -7.625 -0.846 388 HE3 LYS 50 2HE LYS 50 6.333 -6.457 0.231 389 HZ1 LYS 50 3HZ LYS 50 7.556 -8.484 0.009 390 HZ2 LYS 50 1HZ LYS 50 6.303 -9.376 0.605 391 HZ3 LYS 50 2HZ LYS 50 7.087 -8.265 1.570 392 H LEU 51 H LEU 51 0.615 -6.218 1.682 393 HA LEU 51 HA LEU 51 -0.063 -3.424 0.938 394 HB2 LEU 51 1HB LEU 51 -1.733 -5.425 2.415 395 HB3 LEU 51 2HB LEU 51 -1.628 -3.850 3.164 396 HG LEU 51 HG LEU 51 -2.430 -4.272 0.250 397 HD11 LEU 51 1HD1 LEU 51 -4.203 -3.808 2.684 398 HD12 LEU 51 2HD1 LEU 51 -4.035 -5.343 1.827 399 HD13 LEU 51 3HD1 LEU 51 -4.747 -3.953 0.996 400 HD21 LEU 51 3HD2 LEU 51 -1.643 -1.967 0.755 401 HD22 LEU 51 1HD2 LEU 51 -2.763 -1.896 2.127 402 HD23 LEU 51 2HD2 LEU 51 -3.387 -1.986 0.471 403 H VAL 52 H VAL 52 0.526 -1.901 2.503 404 HA VAL 52 HA VAL 52 1.810 -2.817 4.963 405 HB VAL 52 HB VAL 52 2.988 -0.850 2.955 406 HG11 VAL 52 1HG1 VAL 52 4.763 -0.387 4.652 407 HG12 VAL 52 2HG1 VAL 52 3.188 0.237 5.142 408 HG13 VAL 52 3HG1 VAL 52 3.806 -1.264 5.868 409 HG21 VAL 52 3HG2 VAL 52 3.636 -3.225 2.649 410 HG22 VAL 52 1HG2 VAL 52 5.012 -2.287 3.248 411 HG23 VAL 52 2HG2 VAL 52 4.089 -3.298 4.372 412 H ASP 53 H ASP 53 1.216 -1.459 6.716 413 HA ASP 53 HA ASP 53 -0.707 0.707 6.111 414 HB2 ASP 53 1HB ASP 53 -1.878 0.160 8.012 415 HB3 ASP 53 2HB ASP 53 -1.492 -1.396 7.342 416 H SER 54 H SER 54 -0.750 2.238 8.071 417 HA SER 54 HA SER 54 1.725 3.645 8.095 418 HB2 SER 54 1HB SER 54 -0.873 3.871 9.585 419 HB3 SER 54 2HB SER 54 0.526 4.778 10.186 420 HG SER 54 HG SER 54 0.520 6.032 8.553 421 H ASN 55 H ASN 55 0.944 0.892 9.988 422 HA ASN 55 HA ASN 55 2.832 1.637 12.166 423 HB2 ASN 55 1HB ASN 55 0.617 -0.411 11.963 424 HB3 ASN 55 2HB ASN 55 1.851 -0.466 13.222 425 HD21 ASN 55 1HD2 ASN 55 -1.217 0.186 13.182 426 HD22 ASN 55 2HD2 ASN 55 -1.254 1.609 14.239 427 H PHE 56 H PHE 56 3.084 0.404 9.173 428 HA PHE 56 HA PHE 56 4.670 -0.733 8.101 429 HB2 PHE 56 1HB PHE 56 6.151 -0.634 10.756 430 HB3 PHE 56 2HB PHE 56 6.789 -1.403 9.362 431 HD1 PHE 56 1HD PHE 56 5.131 1.994 9.873 432 HD2 PHE 56 2HD PHE 56 8.432 -0.271 8.227 433 HE1 PHE 56 1HE PHE 56 6.051 4.033 8.870 434 HE2 PHE 56 2HE PHE 56 9.356 1.790 7.265 435 HZ PHE 56 HZ PHE 56 8.161 3.960 7.559 436 H HIS 57 H HIS 57 2.358 -2.145 9.437 437 HA HIS 57 HA HIS 57 3.392 -4.910 9.723 438 HB2 HIS 57 1HB HIS 57 0.597 -3.871 9.324 439 HB3 HIS 57 2HB HIS 57 1.077 -5.519 9.767 440 HD1 HIS 57 1HD HIS 57 -0.165 -2.505 11.253 441 HD2 HIS 57 2HD HIS 57 2.886 -5.219 12.238 442 HE1 HIS 57 1HE HIS 57 0.145 -2.326 13.764 443 H CYS 58 H CYS 58 4.184 -5.909 7.849 444 HA CYS 58 HA CYS 58 3.025 -5.205 5.232 445 HB2 CYS 58 1HB CYS 58 5.203 -7.079 6.175 446 HB3 CYS 58 2HB CYS 58 4.261 -7.555 4.762 447 HG CYS 58 HG CYS 58 4.492 -5.183 3.552 448 H PHE 59 H PHE 59 1.749 -6.595 4.097 449 HA PHE 59 HA PHE 59 0.624 -9.002 5.365 450 HB2 PHE 59 1HB PHE 59 -0.967 -6.826 3.942 451 HB3 PHE 59 2HB PHE 59 -1.618 -8.331 4.559 452 HD1 PHE 59 1HD PHE 59 -1.763 -8.718 7.049 453 HD2 PHE 59 2HD PHE 59 -0.588 -4.915 5.388 454 HE1 PHE 59 1HE PHE 59 -1.992 -7.675 9.271 455 HE2 PHE 59 2HE PHE 59 -0.908 -3.850 7.581 456 HZ PHE 59 HZ PHE 59 -1.494 -5.238 9.559 457 H VAL 60 H VAL 60 -0.213 -10.437 3.657 458 HA VAL 60 HA VAL 60 0.331 -9.722 0.871 459 HB VAL 60 HB VAL 60 1.232 -12.304 2.227 460 HG11 VAL 60 1HG1 VAL 60 1.048 -11.576 -0.722 461 HG12 VAL 60 2HG1 VAL 60 1.944 -12.985 -0.092 462 HG13 VAL 60 3HG1 VAL 60 0.199 -12.909 0.095 463 HG21 VAL 60 3HG2 VAL 60 2.764 -10.253 0.528 464 HG22 VAL 60 1HG2 VAL 60 2.892 -10.417 2.300 465 HG23 VAL 60 2HG2 VAL 60 3.428 -11.726 1.247 466 H LEU 61 H LEU 61 -1.154 -10.766 -0.502 467 HA LEU 61 HA LEU 61 -3.814 -11.207 0.701 468 HB2 LEU 61 1HB LEU 61 -3.479 -9.566 -1.133 469 HB3 LEU 61 2HB LEU 61 -2.783 -10.809 -2.159 470 HG LEU 61 HG LEU 61 -4.904 -11.901 -2.432 471 HD11 LEU 61 1HD1 LEU 61 -5.745 -10.273 -0.059 472 HD12 LEU 61 2HD1 LEU 61 -6.204 -11.915 -0.550 473 HD13 LEU 61 3HD1 LEU 61 -6.949 -10.529 -1.317 474 HD21 LEU 61 3HD2 LEU 61 -4.463 -9.866 -3.795 475 HD22 LEU 61 1HD2 LEU 61 -5.343 -8.891 -2.595 476 HD23 LEU 61 2HD2 LEU 61 -6.184 -10.150 -3.532 477 H GLU 62 H GLU 62 -4.940 -13.138 0.417 478 HA GLU 62 HA GLU 62 -3.335 -15.454 -0.479 479 HB2 GLU 62 1HB GLU 62 -5.435 -15.243 1.576 480 HB3 GLU 62 2HB GLU 62 -4.734 -16.762 1.037 481 HG2 GLU 62 1HG GLU 62 -2.757 -14.588 1.787 482 HG3 GLU 62 2HG GLU 62 -3.747 -15.234 2.989 483 H GLU 63 H GLU 63 -4.693 -17.315 -1.388 484 HA GLU 63 HA GLU 63 -6.649 -16.447 -3.310 485 HB2 GLU 63 1HB GLU 63 -6.914 -18.731 -3.883 486 HB3 GLU 63 2HB GLU 63 -5.202 -18.362 -3.737 487 HG2 GLU 63 1HG GLU 63 -4.886 -19.953 -2.200 488 HG3 GLU 63 2HG GLU 63 -6.217 -19.384 -1.191 489 H ASP 64 H ASP 64 -6.877 -17.127 -0.012 490 HA ASP 64 HA ASP 64 -9.723 -17.781 0.022 491 HB2 ASP 64 1HB ASP 64 -7.915 -18.589 1.645 492 HB3 ASP 64 2HB ASP 64 -7.966 -16.971 2.345 493 H ALA 65 H ALA 65 -8.485 -15.170 -1.084 494 HA ALA 65 HA ALA 65 -8.806 -12.963 -1.132 495 HB1 ALA 65 1HB ALA 65 -11.674 -13.806 -0.618 496 HB2 ALA 65 2HB ALA 65 -11.176 -12.232 -1.258 497 HB3 ALA 65 3HB ALA 65 -10.853 -13.688 -2.192 498 H HIS 66 H HIS 66 -7.816 -13.761 1.290 499 HA HIS 66 HA HIS 66 -8.711 -11.441 2.902 500 HB2 HIS 66 1HB HIS 66 -8.318 -12.602 4.962 501 HB3 HIS 66 2HB HIS 66 -9.558 -13.402 4.017 502 HD1 HIS 66 1HD HIS 66 -9.260 -15.835 5.086 503 HD2 HIS 66 2HD HIS 66 -5.703 -14.101 3.566 504 HE1 HIS 66 1HE HIS 66 -7.464 -17.527 5.392 505 H TRP 67 H TRP 67 -6.915 -10.829 4.474 506 HA TRP 67 HA TRP 67 -4.299 -10.994 3.033 507 HB2 TRP 67 1HB TRP 67 -5.539 -8.724 4.626 508 HB3 TRP 67 2HB TRP 67 -3.841 -8.812 4.208 509 HD1 TRP 67 HD TRP 67 -7.246 -8.620 2.363 510 HE1 TRP 67 1HE TRP 67 -6.869 -7.639 0.012 511 HE3 TRP 67 3HE TRP 67 -2.198 -8.510 2.407 512 HZ2 TRP 67 2HZ TRP 67 -4.561 -6.696 -1.564 513 HZ3 TRP 67 3HZ TRP 67 -0.914 -7.693 0.487 514 HH2 TRP 67 HH TRP 67 -2.080 -6.697 -1.486 515 H HIS 68 H HIS 68 -2.711 -11.923 4.146 516 HA HIS 68 HA HIS 68 -3.252 -12.718 6.944 517 HB2 HIS 68 1HB HIS 68 -2.006 -14.032 4.621 518 HB3 HIS 68 2HB HIS 68 -0.875 -13.959 5.962 519 HD1 HIS 68 1HD HIS 68 -4.578 -15.222 5.453 520 HD2 HIS 68 2HD HIS 68 -1.014 -15.949 7.577 521 HE1 HIS 68 1HE HIS 68 -5.057 -17.132 6.959 522 HA PRO 69 HA PRO 69 -0.062 -9.796 8.132 523 HB2 PRO 69 1HB PRO 69 0.675 -10.761 10.585 524 HB3 PRO 69 2HB PRO 69 -0.843 -9.886 10.234 525 HG2 PRO 69 1HG PRO 69 -0.368 -12.882 10.447 526 HG3 PRO 69 2HG PRO 69 -1.706 -11.928 11.165 527 HD2 PRO 69 1HD PRO 69 -1.985 -13.321 8.826 528 HD3 PRO 69 2HD PRO 69 -2.823 -11.771 9.128 529 H ALA 70 H ALA 70 1.792 -9.704 7.245 530 HA ALA 70 HA ALA 70 3.555 -12.112 6.994 531 HB1 ALA 70 1HB ALA 70 4.072 -11.406 4.723 532 HB2 ALA 70 2HB ALA 70 2.326 -11.641 4.909 533 HB3 ALA 70 3HB ALA 70 3.004 -9.994 4.881 534 H ALA 71 H ALA 71 3.984 -10.791 9.124 535 HA ALA 71 HA ALA 71 5.526 -10.015 10.444 536 HB1 ALA 71 1HB ALA 71 7.844 -9.703 9.684 537 HB2 ALA 71 2HB ALA 71 7.138 -11.186 9.001 538 HB3 ALA 71 3HB ALA 71 7.320 -9.727 8.001 539 HA PRO 72 HA PRO 72 5.532 -5.505 10.219 540 HB2 PRO 72 1HB PRO 72 7.431 -4.858 12.039 541 HB3 PRO 72 2HB PRO 72 5.797 -5.439 12.528 542 HG2 PRO 72 1HG PRO 72 8.386 -7.033 12.258 543 HG3 PRO 72 2HG PRO 72 7.241 -7.059 13.627 544 HD2 PRO 72 1HD PRO 72 7.211 -8.934 11.654 545 HD3 PRO 72 2HD PRO 72 5.696 -8.382 12.422 546 H LEU 73 H LEU 73 7.128 -3.838 9.776 547 HA LEU 73 HA LEU 73 9.257 -4.904 8.023 548 HB2 LEU 73 1HB LEU 73 6.904 -3.869 7.285 549 HB3 LEU 73 2HB LEU 73 7.705 -2.341 7.598 550 HG LEU 73 HG LEU 73 9.426 -2.921 5.928 551 HD11 LEU 73 1HD1 LEU 73 9.537 -5.317 5.886 552 HD12 LEU 73 2HD1 LEU 73 8.733 -4.918 4.379 553 HD13 LEU 73 3HD1 LEU 73 7.791 -5.479 5.777 554 HD21 LEU 73 3HD2 LEU 73 6.527 -3.035 5.043 555 HD22 LEU 73 1HD2 LEU 73 7.888 -2.696 3.961 556 HD23 LEU 73 2HD2 LEU 73 7.512 -1.586 5.288 557 HA PRO 74 HA PRO 74 12.034 -2.107 10.085 558 HB2 PRO 74 1HB PRO 74 14.051 -1.787 8.222 559 HB3 PRO 74 2HB PRO 74 13.829 -3.250 9.205 560 HG2 PRO 74 1HG PRO 74 12.929 -2.775 6.366 561 HG3 PRO 74 2HG PRO 74 13.747 -4.211 7.050 562 HD2 PRO 74 1HD PRO 74 11.068 -4.088 6.674 563 HD3 PRO 74 2HD PRO 74 11.765 -4.971 8.059 564 HA PRO 75 HA PRO 75 11.188 2.060 8.731 565 HB2 PRO 75 1HB PRO 75 13.720 3.264 9.005 566 HB3 PRO 75 2HB PRO 75 12.497 3.066 10.293 567 HG2 PRO 75 1HG PRO 75 14.914 1.368 9.679 568 HG3 PRO 75 2HG PRO 75 14.269 1.867 11.278 569 HD2 PRO 75 1HD PRO 75 13.804 -0.595 10.287 570 HD3 PRO 75 2HD PRO 75 12.513 0.277 11.160 571 H GLU 76 H GLU 76 13.969 0.403 7.227 572 HA GLU 76 HA GLU 76 13.991 2.138 4.883 573 HB2 GLU 76 1HB GLU 76 15.683 0.573 4.068 574 HB3 GLU 76 2HB GLU 76 16.076 1.163 5.680 575 HG2 GLU 76 1HG GLU 76 15.527 -0.874 6.752 576 HG3 GLU 76 2HG GLU 76 14.705 -1.489 5.306 577 H GLY 77 H GLY 77 12.139 -0.634 5.945 578 HA2 GLY 77 1HA GLY 77 11.936 -1.885 3.374 579 HA3 GLY 77 2HA GLY 77 10.973 -2.234 4.801 580 H LEU 78 H LEU 78 10.203 0.716 4.958 581 HA LEU 78 HA LEU 78 7.960 0.871 3.118 582 HB2 LEU 78 1HB LEU 78 7.832 2.121 5.148 583 HB3 LEU 78 2HB LEU 78 9.410 2.873 4.878 584 HG LEU 78 HG LEU 78 8.510 4.143 2.961 585 HD11 LEU 78 1HD1 LEU 78 6.692 2.705 2.153 586 HD12 LEU 78 2HD1 LEU 78 5.987 4.235 2.681 587 HD13 LEU 78 3HD1 LEU 78 5.868 2.795 3.720 588 HD21 LEU 78 3HD2 LEU 78 6.847 4.432 5.488 589 HD22 LEU 78 1HD2 LEU 78 7.187 5.690 4.268 590 HD23 LEU 78 2HD2 LEU 78 8.504 5.049 5.263 591 H ASN 79 H ASN 79 11.228 2.386 3.216 592 HA ASN 79 HA ASN 79 11.149 3.679 0.740 593 HB2 ASN 79 1HB ASN 79 13.197 2.915 2.705 594 HB3 ASN 79 2HB ASN 79 13.787 2.666 1.076 595 HD21 ASN 79 1HD2 ASN 79 12.565 5.163 3.359 596 HD22 ASN 79 2HD2 ASN 79 13.255 6.472 2.461 597 H ASP 80 H ASP 80 11.860 0.217 1.390 598 HA ASP 80 HA ASP 80 12.635 -0.538 -1.243 599 HB2 ASP 80 1HB ASP 80 12.773 -2.025 0.800 600 HB3 ASP 80 2HB ASP 80 11.024 -2.138 0.815 601 H LEU 81 H LEU 81 9.388 -0.032 0.081 602 HA LEU 81 HA LEU 81 7.984 -1.071 -2.260 603 HB2 LEU 81 1HB LEU 81 7.236 0.514 0.201 604 HB3 LEU 81 2HB LEU 81 6.210 0.651 -1.204 605 HG LEU 81 HG LEU 81 5.775 -1.724 -1.237 606 HD11 LEU 81 1HD1 LEU 81 7.910 -2.625 -0.340 607 HD12 LEU 81 2HD1 LEU 81 6.528 -3.224 0.578 608 HD13 LEU 81 3HD1 LEU 81 7.532 -1.923 1.250 609 HD21 LEU 81 3HD2 LEU 81 5.480 -0.497 1.551 610 HD22 LEU 81 1HD2 LEU 81 4.541 -1.855 0.901 611 HD23 LEU 81 2HD2 LEU 81 4.369 -0.261 0.188 612 H ILE 82 H ILE 82 8.556 2.239 -1.002 613 HA ILE 82 HA ILE 82 7.511 3.518 -3.302 614 HB ILE 82 HB ILE 82 9.339 4.514 -1.126 615 HG12 ILE 82 1HG1 ILE 82 7.033 3.674 -0.482 616 HG13 ILE 82 2HG1 ILE 82 7.442 5.291 0.006 617 HG21 ILE 82 1HG2 ILE 82 9.653 6.037 -2.982 618 HG22 ILE 82 2HG2 ILE 82 7.912 6.108 -3.307 619 HG23 ILE 82 3HG2 ILE 82 8.587 6.832 -1.844 620 HD11 ILE 82 3HD1 ILE 82 5.801 4.803 -2.511 621 HD12 ILE 82 1HD1 ILE 82 5.090 5.006 -0.899 622 HD13 ILE 82 2HD1 ILE 82 6.039 6.314 -1.623 623 H ARG 83 H ARG 83 10.789 2.359 -2.713 624 HA ARG 83 HA ARG 83 12.288 3.456 -4.768 625 HB2 ARG 83 1HB ARG 83 12.100 0.821 -3.394 626 HB3 ARG 83 2HB ARG 83 12.997 0.779 -4.855 627 HG2 ARG 83 1HG ARG 83 13.670 3.069 -3.023 628 HG3 ARG 83 2HG ARG 83 13.937 1.470 -2.391 629 HD2 ARG 83 1HD ARG 83 15.224 1.063 -4.690 630 HD3 ARG 83 2HD ARG 83 15.342 2.833 -4.683 631 HE ARG 83 HE ARG 83 16.116 1.150 -2.348 632 HH11 ARG 83 1HH1 ARG 83 17.403 3.153 -5.018 633 HH12 ARG 83 2HH1 ARG 83 18.988 3.237 -4.342 634 HH21 ARG 83 1HH2 ARG 83 18.111 1.527 -1.322 635 HH22 ARG 83 2HH2 ARG 83 19.369 2.393 -2.129 636 H ALA 84 H ALA 84 9.703 0.982 -5.096 637 HA ALA 84 HA ALA 84 10.033 0.589 -7.927 638 HB1 ALA 84 1HB ALA 84 7.552 0.084 -6.246 639 HB2 ALA 84 2HB ALA 84 8.024 -0.696 -7.772 640 HB3 ALA 84 3HB ALA 84 8.952 -1.017 -6.316 641 H HIS 85 H HIS 85 7.381 2.343 -6.254 642 HA HIS 85 HA HIS 85 6.271 3.517 -8.514 643 HB2 HIS 85 1HB HIS 85 5.308 3.407 -6.256 644 HB3 HIS 85 2HB HIS 85 6.398 4.663 -5.709 645 HD1 HIS 85 1HD HIS 85 2.792 4.477 -6.885 646 HD2 HIS 85 2HD HIS 85 6.119 7.097 -7.196 647 HE1 HIS 85 1HE HIS 85 1.889 6.707 -7.403 648 H CYS 86 H CYS 86 9.003 4.777 -6.567 649 HA CYS 86 HA CYS 86 9.177 7.281 -8.074 650 HB2 CYS 86 1HB CYS 86 11.012 5.745 -6.156 651 HB3 CYS 86 2HB CYS 86 11.563 7.189 -7.001 652 HG CYS 86 HG CYS 86 8.706 7.086 -5.331 653 H ALA 87 H ALA 87 11.039 4.123 -8.257 654 HA ALA 87 HA ALA 87 12.691 5.121 -10.364 655 HB1 ALA 87 1HB ALA 87 13.322 3.186 -8.943 656 HB2 ALA 87 2HB ALA 87 11.991 2.240 -9.659 657 HB3 ALA 87 3HB ALA 87 13.346 2.766 -10.670 658 H THR 88 H THR 88 9.493 3.498 -10.411 659 HA THR 88 HA THR 88 9.703 2.871 -13.190 660 HB THR 88 HB THR 88 8.267 1.803 -11.377 661 HG1 THR 88 1HG THR 88 6.958 2.380 -13.807 662 HG21 THR 88 3HG2 THR 88 6.252 3.934 -12.214 663 HG22 THR 88 1HG2 THR 88 7.023 3.791 -10.633 664 HG23 THR 88 2HG2 THR 88 5.916 2.540 -11.191 665 H LEU 89 H LEU 89 8.752 5.792 -11.413 666 HA LEU 89 HA LEU 89 7.619 7.093 -13.796 667 HB2 LEU 89 1HB LEU 89 8.093 8.017 -10.921 668 HB3 LEU 89 2HB LEU 89 7.389 9.020 -12.179 669 HG LEU 89 HG LEU 89 6.180 6.386 -11.246 670 HD11 LEU 89 1HD1 LEU 89 4.529 7.767 -10.072 671 HD12 LEU 89 2HD1 LEU 89 5.365 9.240 -10.593 672 HD13 LEU 89 3HD1 LEU 89 6.166 8.091 -9.488 673 HD21 LEU 89 3HD2 LEU 89 5.067 8.582 -13.052 674 HD22 LEU 89 1HD2 LEU 89 4.134 7.215 -12.409 675 HD23 LEU 89 2HD2 LEU 89 5.469 6.914 -13.527 676 H GLY 90 H GLY 90 10.367 7.629 -11.548 677 HA2 GLY 90 1HA GLY 90 12.455 8.303 -13.015 678 HA3 GLY 90 2HA GLY 90 11.421 9.668 -13.414 679 H HIS 91 H HIS 91 10.991 8.602 -10.089 680 HA HIS 91 HA HIS 91 12.249 11.198 -9.347 681 HB2 HIS 91 1HB HIS 91 9.924 9.635 -8.316 682 HB3 HIS 91 2HB HIS 91 10.888 10.446 -7.111 683 HD1 HIS 91 1HD HIS 91 10.943 13.249 -7.233 684 HD2 HIS 91 2HD HIS 91 8.694 11.149 -10.151 685 HE1 HIS 91 1HE HIS 91 9.520 14.967 -8.401 686 H CYS 92 H CYS 92 13.612 11.425 -7.607 687 HA CYS 92 HA CYS 92 14.337 9.176 -5.946 688 HB2 CYS 92 1HB CYS 92 15.821 9.148 -8.116 689 HB3 CYS 92 2HB CYS 92 16.707 10.469 -7.320 690 HG CYS 92 HG CYS 92 17.901 8.209 -6.969 691 H CYS 93 H CYS 93 13.434 10.388 -4.430 692 HA CYS 93 HA CYS 93 12.977 11.811 -2.848 693 HB2 CYS 93 1HB CYS 93 14.736 12.004 -1.199 694 HB3 CYS 93 2HB CYS 93 14.786 10.430 -1.992 695 HG CYS 93 HG CYS 93 17.185 11.148 -1.490 696 H THR 94 H THR 94 13.593 13.757 -1.477 697 HA THR 94 HA THR 94 14.566 16.142 -2.716 698 HB THR 94 HB THR 94 12.603 15.948 -4.041 699 HG1 THR 94 1HG THR 94 11.722 17.835 -2.226 700 HG21 THR 94 3HG2 THR 94 11.141 14.475 -2.705 701 HG22 THR 94 1HG2 THR 94 10.319 15.926 -3.285 702 HG23 THR 94 2HG2 THR 94 10.819 15.820 -1.590 703 H SER 95 H SER 95 15.759 15.832 -0.762 704 HA SER 95 HA SER 95 16.386 16.260 1.304 705 HB2 SER 95 1HB SER 95 14.787 18.288 0.963 706 HB3 SER 95 2HB SER 95 13.697 17.429 2.064 707 HG SER 95 HG SER 95 14.880 18.652 3.372 708 H LYS 96 H LYS 96 16.509 15.228 3.272 709 HA LYS 96 HA LYS 96 16.304 13.629 4.803 710 HB2 LYS 96 1HB LYS 96 14.080 14.779 5.172 711 HB3 LYS 96 2HB LYS 96 13.307 13.465 4.284 712 HG2 LYS 96 1HG LYS 96 13.612 11.922 6.026 713 HG3 LYS 96 2HG LYS 96 15.126 12.692 6.551 714 HD2 LYS 96 1HD LYS 96 13.572 13.166 8.255 715 HD3 LYS 96 2HD LYS 96 13.733 14.673 7.349 716 HE2 LYS 96 1HE LYS 96 11.642 13.574 5.988 717 HE3 LYS 96 2HE LYS 96 11.524 12.652 7.496 718 HZ1 LYS 96 3HZ LYS 96 10.229 14.451 7.990 719 HZ2 LYS 96 1HZ LYS 96 11.089 15.501 7.051 720 HZ3 LYS 96 2HZ LYS 96 11.660 15.037 8.515 721 H MET 97 H MET 97 15.395 11.236 5.090 722 HA MET 97 HA MET 97 16.715 9.811 3.010 723 HB2 MET 97 1HB MET 97 16.222 7.840 4.461 724 HB3 MET 97 2HB MET 97 17.125 9.138 5.232 725 HG2 MET 97 1HG MET 97 15.347 9.756 6.605 726 HG3 MET 97 2HG MET 97 14.117 9.038 5.565 727 HE1 MET 97 3HE MET 97 13.054 6.769 5.937 728 HE2 MET 97 1HE MET 97 14.447 6.296 4.937 729 HE3 MET 97 2HE MET 97 14.028 5.345 6.376 730 H HIS 98 H HIS 98 14.987 10.694 1.463 731 HA HIS 98 HA HIS 98 13.407 10.374 -0.040 732 HB2 HIS 98 1HB HIS 98 14.163 7.728 0.418 733 HB3 HIS 98 2HB HIS 98 12.408 7.698 0.550 734 HD1 HIS 98 1HD HIS 98 14.439 6.589 -1.948 735 HD2 HIS 98 2HD HIS 98 11.715 9.832 -1.814 736 HE1 HIS 98 1HE HIS 98 13.893 7.179 -4.341 737 H LEU 99 H LEU 99 12.066 8.529 2.806 738 HA LEU 99 HA LEU 99 9.983 10.595 3.183 739 HB2 LEU 99 1HB LEU 99 9.451 7.676 2.480 740 HB3 LEU 99 2HB LEU 99 8.235 8.791 3.115 741 HG LEU 99 HG LEU 99 9.721 9.255 0.488 742 HD11 LEU 99 1HD1 LEU 99 7.623 8.460 -0.566 743 HD12 LEU 99 2HD1 LEU 99 7.088 7.922 1.039 744 HD13 LEU 99 3HD1 LEU 99 8.543 7.224 0.326 745 HD21 LEU 99 3HD2 LEU 99 7.893 10.832 0.026 746 HD22 LEU 99 1HD2 LEU 99 8.764 11.326 1.473 747 HD23 LEU 99 2HD2 LEU 99 7.190 10.524 1.628 748 H HIS 100 H HIS 100 9.579 10.798 5.270 749 HA HIS 100 HA HIS 100 11.045 9.457 7.219 750 HB2 HIS 100 1HB HIS 100 9.897 11.696 7.346 751 HB3 HIS 100 2HB HIS 100 8.373 10.879 7.482 752 HD1 HIS 100 1HD HIS 100 7.732 9.902 9.877 753 HD2 HIS 100 2HD HIS 100 11.486 11.792 9.525 754 HE1 HIS 100 1HE HIS 100 8.473 10.528 12.251 755 H SER 101 H SER 101 7.741 8.983 6.070 756 HA SER 101 HA SER 101 7.430 6.287 7.115 757 HB2 SER 101 1HB SER 101 5.632 8.340 8.381 758 HB3 SER 101 2HB SER 101 5.882 6.654 8.839 759 HG SER 101 HG SER 101 8.157 7.478 9.265 760 H VAL 102 H VAL 102 4.728 5.846 7.115 761 HA VAL 102 HA VAL 102 4.093 6.006 4.338 762 HB VAL 102 HB VAL 102 2.346 5.276 6.717 763 HG11 VAL 102 1HG1 VAL 102 1.955 4.631 3.774 764 HG12 VAL 102 2HG1 VAL 102 0.968 4.004 5.120 765 HG13 VAL 102 3HG1 VAL 102 0.955 5.726 4.737 766 HG21 VAL 102 3HG2 VAL 102 2.907 2.916 6.061 767 HG22 VAL 102 1HG2 VAL 102 4.058 3.552 4.876 768 HG23 VAL 102 2HG2 VAL 102 4.323 3.808 6.616 769 H MET 103 H MET 103 2.986 7.934 7.167 770 HA MET 103 HA MET 103 0.916 9.373 5.938 771 HB2 MET 103 1HB MET 103 1.595 9.562 8.361 772 HB3 MET 103 2HB MET 103 3.026 10.462 7.864 773 HG2 MET 103 1HG MET 103 1.761 12.277 8.212 774 HG3 MET 103 2HG MET 103 1.078 11.940 6.639 775 HE1 MET 103 3HE MET 103 -0.817 9.242 7.567 776 HE2 MET 103 1HE MET 103 -2.336 10.157 7.651 777 HE3 MET 103 2HE MET 103 -1.191 10.465 6.325 778 H ASP 104 H ASP 104 4.397 10.101 5.992 779 HA ASP 104 HA ASP 104 4.328 12.428 4.406 780 HB2 ASP 104 1HB ASP 104 6.594 10.411 4.880 781 HB3 ASP 104 2HB ASP 104 6.775 12.001 4.175 782 H ALA 105 H ALA 105 4.637 9.004 3.549 783 HA ALA 105 HA ALA 105 5.303 9.369 0.780 784 HB1 ALA 105 1HB ALA 105 4.647 7.038 0.538 785 HB2 ALA 105 2HB ALA 105 5.360 7.154 2.163 786 HB3 ALA 105 3HB ALA 105 3.608 7.083 1.964 787 H ILE 106 H ILE 106 2.138 9.013 2.456 788 HA ILE 106 HA ILE 106 0.611 9.118 0.038 789 HB ILE 106 HB ILE 106 -0.109 9.732 2.927 790 HG12 ILE 106 1HG1 ILE 106 0.684 7.394 2.493 791 HG13 ILE 106 2HG1 ILE 106 -0.926 7.549 3.124 792 HG21 ILE 106 1HG2 ILE 106 -1.840 10.777 1.678 793 HG22 ILE 106 2HG2 ILE 106 -1.977 9.417 0.560 794 HG23 ILE 106 3HG2 ILE 106 -2.490 9.240 2.260 795 HD11 ILE 106 3HD1 ILE 106 -0.862 5.793 1.544 796 HD12 ILE 106 1HD1 ILE 106 -1.857 7.100 0.854 797 HD13 ILE 106 2HD1 ILE 106 -0.182 6.862 0.296 798 H ASP 107 H ASP 107 2.055 11.627 2.101 799 HA ASP 107 HA ASP 107 0.596 13.853 0.966 800 HB2 ASP 107 1HB ASP 107 1.958 13.711 3.178 801 HB3 ASP 107 2HB ASP 107 3.333 14.084 2.153 802 H PHE 108 H PHE 108 3.794 12.390 0.439 803 HA PHE 108 HA PHE 108 4.728 14.002 -1.640 804 HB2 PHE 108 1HB PHE 108 6.123 12.379 -0.370 805 HB3 PHE 108 2HB PHE 108 5.300 11.053 -1.132 806 HD1 PHE 108 1HD PHE 108 6.517 14.185 -2.884 807 HD2 PHE 108 2HD PHE 108 7.067 9.950 -2.267 808 HE1 PHE 108 1HE PHE 108 8.154 14.135 -4.704 809 HE2 PHE 108 2HE PHE 108 8.767 9.934 -4.076 810 HZ PHE 108 HZ PHE 108 9.294 12.017 -5.321 811 H LEU 109 H LEU 109 3.398 10.624 -2.189 812 HA LEU 109 HA LEU 109 3.328 10.616 -4.863 813 HB2 LEU 109 1HB LEU 109 1.680 9.334 -2.665 814 HB3 LEU 109 2HB LEU 109 1.260 9.060 -4.355 815 HG LEU 109 HG LEU 109 3.687 8.407 -4.715 816 HD11 LEU 109 1HD1 LEU 109 3.863 7.892 -1.777 817 HD12 LEU 109 2HD1 LEU 109 4.726 9.193 -2.651 818 HD13 LEU 109 3HD1 LEU 109 5.025 7.514 -3.076 819 HD21 LEU 109 3HD2 LEU 109 1.964 6.724 -2.839 820 HD22 LEU 109 1HD2 LEU 109 3.257 6.082 -3.908 821 HD23 LEU 109 2HD2 LEU 109 1.802 6.789 -4.616 822 H ASN 110 H ASN 110 0.911 12.230 -2.846 823 HA ASN 110 HA ASN 110 -0.987 12.553 -4.981 824 HB2 ASN 110 1HB ASN 110 -0.454 13.975 -2.353 825 HB3 ASN 110 2HB ASN 110 -1.478 14.780 -3.525 826 HD21 ASN 110 1HD2 ASN 110 -1.967 11.332 -3.790 827 HD22 ASN 110 2HD2 ASN 110 -3.312 11.269 -2.683 828 H ALA 111 H ALA 111 1.801 14.506 -4.000 829 HA ALA 111 HA ALA 111 1.046 16.687 -5.804 830 HB1 ALA 111 1HB ALA 111 2.048 17.075 -3.565 831 HB2 ALA 111 2HB ALA 111 3.514 16.189 -4.071 832 HB3 ALA 111 3HB ALA 111 3.040 17.693 -4.880 833 H LEU 112 H LEU 112 2.753 13.574 -6.358 834 HA LEU 112 HA LEU 112 4.652 14.544 -8.105 835 HB2 LEU 112 1HB LEU 112 5.354 12.955 -6.573 836 HB3 LEU 112 2HB LEU 112 3.766 12.244 -6.329 837 HG LEU 112 HG LEU 112 3.896 11.137 -8.390 838 HD11 LEU 112 1HD1 LEU 112 6.650 12.383 -8.383 839 HD12 LEU 112 2HD1 LEU 112 5.403 12.705 -9.574 840 HD13 LEU 112 3HD1 LEU 112 6.199 11.104 -9.584 841 HD21 LEU 112 3HD2 LEU 112 6.277 10.718 -6.526 842 HD22 LEU 112 1HD2 LEU 112 5.785 9.537 -7.758 843 HD23 LEU 112 2HD2 LEU 112 4.691 9.919 -6.439 844 H GLU 113 H GLU 113 1.635 12.617 -7.816 845 HA GLU 113 HA GLU 113 1.962 11.558 -10.298 846 HB2 GLU 113 1HB GLU 113 -0.359 11.811 -8.365 847 HB3 GLU 113 2HB GLU 113 -0.723 11.146 -9.903 848 HG2 GLU 113 1HG GLU 113 1.630 10.030 -8.352 849 HG3 GLU 113 2HG GLU 113 -0.037 9.569 -7.909 850 H GLY 114 H GLY 114 0.507 11.778 -12.276 851 HA2 GLY 114 1HA GLY 114 0.027 14.625 -12.928 852 HA3 GLY 114 2HA GLY 114 0.596 13.413 -14.028 Start of MODEL 2 1 H1 MET 1 H MET 1 -16.729 -7.084 14.061 2 HA MET 1 HA MET 1 -16.540 -8.861 12.466 3 HB2 MET 1 1HB MET 1 -16.298 -10.635 14.352 4 HB3 MET 1 2HB MET 1 -18.062 -10.656 14.364 5 HG2 MET 1 1HG MET 1 -17.235 -12.416 12.931 6 HG3 MET 1 2HG MET 1 -18.039 -11.202 11.938 7 HE1 MET 1 3HE MET 1 -14.915 -13.282 12.599 8 HE2 MET 1 1HE MET 1 -13.557 -12.294 12.027 9 HE3 MET 1 2HE MET 1 -14.416 -11.844 13.516 10 H GLY 2 H GLY 2 -18.067 -8.761 10.931 11 HA2 GLY 2 1HA GLY 2 -20.855 -9.034 11.280 12 HA3 GLY 2 2HA GLY 2 -20.409 -7.331 10.964 13 H ALA 3 H ALA 3 -20.546 -6.969 8.799 14 HA ALA 3 HA ALA 3 -20.110 -8.882 6.694 15 HB1 ALA 3 1HB ALA 3 -21.389 -6.807 6.373 16 HB2 ALA 3 2HB ALA 3 -19.974 -5.829 6.830 17 HB3 ALA 3 3HB ALA 3 -19.950 -6.761 5.330 18 H GLY 4 H GLY 4 -18.273 -8.949 5.251 19 HA2 GLY 4 1HA GLY 4 -15.660 -7.917 6.277 20 HA3 GLY 4 2HA GLY 4 -15.863 -9.470 5.438 21 H GLN 5 H GLN 5 -15.588 -6.064 5.046 22 HA GLN 5 HA GLN 5 -15.736 -6.263 2.079 23 HB2 GLN 5 1HB GLN 5 -16.775 -4.071 3.920 24 HB3 GLN 5 2HB GLN 5 -16.641 -3.891 2.165 25 HG2 GLN 5 1HG GLN 5 -18.456 -5.899 3.567 26 HG3 GLN 5 2HG GLN 5 -18.938 -4.360 2.851 27 HE21 GLN 5 1HE2 GLN 5 -17.640 -7.624 1.997 28 HE22 GLN 5 2HE2 GLN 5 -18.085 -7.478 0.314 29 H THR 6 H THR 6 -13.672 -6.441 4.213 30 HA THR 6 HA THR 6 -11.925 -4.101 3.595 31 HB THR 6 HB THR 6 -11.534 -4.067 6.128 32 HG1 THR 6 1HG THR 6 -12.381 -5.965 6.816 33 HG21 THR 6 3HG2 THR 6 -13.135 -2.513 4.852 34 HG22 THR 6 1HG2 THR 6 -13.396 -2.677 6.596 35 HG23 THR 6 2HG2 THR 6 -14.453 -3.535 5.446 36 HA PRO 7 HA PRO 7 -8.801 -7.172 3.337 37 HB2 PRO 7 1HB PRO 7 -6.506 -5.871 4.155 38 HB3 PRO 7 2HB PRO 7 -7.300 -5.644 2.579 39 HG2 PRO 7 1HG PRO 7 -7.568 -3.945 5.075 40 HG3 PRO 7 2HG PRO 7 -7.286 -3.407 3.391 41 HD2 PRO 7 1HD PRO 7 -9.787 -3.390 4.435 42 HD3 PRO 7 2HD PRO 7 -9.485 -3.905 2.746 43 H HIS 8 H HIS 8 -8.377 -5.343 6.499 44 HA HIS 8 HA HIS 8 -8.504 -7.856 7.982 45 HB2 HIS 8 1HB HIS 8 -6.141 -7.540 6.914 46 HB3 HIS 8 2HB HIS 8 -5.907 -6.225 7.988 47 HD1 HIS 8 1HD HIS 8 -4.419 -7.089 9.981 48 HD2 HIS 8 2HD HIS 8 -7.005 -9.980 8.348 49 HE1 HIS 8 1HE HIS 8 -4.070 -9.220 11.320 50 HA PRO 9 HA PRO 9 -9.832 -4.616 10.748 51 HB2 PRO 9 1HB PRO 9 -9.919 -5.867 13.205 52 HB3 PRO 9 2HB PRO 9 -11.104 -6.136 11.897 53 HG2 PRO 9 1HG PRO 9 -8.697 -7.782 12.634 54 HG3 PRO 9 2HG PRO 9 -10.346 -8.358 12.226 55 HD2 PRO 9 1HD PRO 9 -8.292 -8.376 10.428 56 HD3 PRO 9 2HD PRO 9 -9.977 -8.050 9.929 57 H GLN 10 H GLN 10 -6.758 -6.252 11.513 58 HA GLN 10 HA GLN 10 -5.930 -4.167 13.364 59 HB2 GLN 10 1HB GLN 10 -4.408 -6.354 11.924 60 HB3 GLN 10 2HB GLN 10 -3.583 -5.026 12.716 61 HG2 GLN 10 1HG GLN 10 -5.083 -5.613 14.800 62 HG3 GLN 10 2HG GLN 10 -5.274 -7.168 13.989 63 HE21 GLN 10 1HE2 GLN 10 -2.789 -4.797 15.163 64 HE22 GLN 10 2HE2 GLN 10 -1.616 -6.064 15.545 65 H LEU 11 H LEU 11 -5.999 -4.371 9.785 66 HA LEU 11 HA LEU 11 -3.762 -2.730 9.313 67 HB2 LEU 11 1HB LEU 11 -4.819 -4.066 7.623 68 HB3 LEU 11 2HB LEU 11 -6.322 -3.159 7.726 69 HG LEU 11 HG LEU 11 -3.890 -1.530 7.128 70 HD11 LEU 11 1HD1 LEU 11 -5.053 -3.460 5.087 71 HD12 LEU 11 2HD1 LEU 11 -3.417 -3.512 5.764 72 HD13 LEU 11 3HD1 LEU 11 -3.897 -2.155 4.736 73 HD21 LEU 11 3HD2 LEU 11 -6.138 -0.504 7.152 74 HD22 LEU 11 1HD2 LEU 11 -6.686 -1.666 5.941 75 HD23 LEU 11 2HD2 LEU 11 -5.448 -0.460 5.530 76 H ILE 12 H ILE 12 -3.312 -0.677 9.693 77 HA ILE 12 HA ILE 12 -5.525 1.171 10.492 78 HB ILE 12 HB ILE 12 -2.556 1.247 11.123 79 HG12 ILE 12 1HG1 ILE 12 -3.449 -0.454 12.491 80 HG13 ILE 12 2HG1 ILE 12 -3.300 0.947 13.515 81 HG21 ILE 12 1HG2 ILE 12 -4.771 3.124 12.064 82 HG22 ILE 12 2HG2 ILE 12 -3.097 3.120 12.656 83 HG23 ILE 12 3HG2 ILE 12 -3.429 3.533 10.982 84 HD11 ILE 12 3HD1 ILE 12 -5.865 -0.198 12.339 85 HD12 ILE 12 1HD1 ILE 12 -5.387 -0.086 14.034 86 HD13 ILE 12 2HD1 ILE 12 -5.798 1.383 13.136 87 H TRP 13 H TRP 13 -6.173 1.879 8.529 88 HA TRP 13 HA TRP 13 -4.671 2.660 6.360 89 HB2 TRP 13 1HB TRP 13 -7.095 4.157 7.389 90 HB3 TRP 13 2HB TRP 13 -6.484 4.177 5.770 91 HD1 TRP 13 HD TRP 13 -8.746 2.095 7.968 92 HE1 TRP 13 1HE TRP 13 -9.842 0.289 6.484 93 HE3 TRP 13 3HE TRP 13 -5.861 2.537 3.743 94 HZ2 TRP 13 2HZ TRP 13 -9.012 -1.285 4.241 95 HZ3 TRP 13 3HZ TRP 13 -5.944 0.758 2.011 96 HH2 TRP 13 HH TRP 13 -7.423 -1.222 2.321 97 HA PRO 14 HA PRO 14 -4.631 4.547 4.813 98 HB2 PRO 14 1HB PRO 14 -2.364 5.398 3.628 99 HB3 PRO 14 2HB PRO 14 -3.584 6.552 4.241 100 HG2 PRO 14 1HG PRO 14 -1.079 5.590 5.668 101 HG3 PRO 14 2HG PRO 14 -1.592 7.289 5.398 102 HD2 PRO 14 1HD PRO 14 -2.182 6.006 7.713 103 HD3 PRO 14 2HD PRO 14 -3.388 7.064 6.934 104 H ALA 15 H ALA 15 -3.474 3.313 2.966 105 HA ALA 15 HA ALA 15 -1.366 1.520 3.941 106 HB1 ALA 15 1HB ALA 15 -3.581 0.383 4.385 107 HB2 ALA 15 2HB ALA 15 -3.852 0.391 2.620 108 HB3 ALA 15 3HB ALA 15 -2.490 -0.503 3.312 109 H LEU 16 H LEU 16 -0.587 0.120 2.144 110 HA LEU 16 HA LEU 16 -0.505 1.520 -0.474 111 HB2 LEU 16 1HB LEU 16 1.717 0.832 1.473 112 HB3 LEU 16 2HB LEU 16 2.069 0.859 -0.240 113 HG LEU 16 HG LEU 16 0.794 3.237 1.182 114 HD11 LEU 16 1HD1 LEU 16 3.031 4.272 1.213 115 HD12 LEU 16 2HD1 LEU 16 3.749 2.761 0.597 116 HD13 LEU 16 3HD1 LEU 16 2.990 2.806 2.206 117 HD21 LEU 16 3HD2 LEU 16 1.450 4.496 -0.761 118 HD22 LEU 16 1HD2 LEU 16 0.644 3.037 -1.379 119 HD23 LEU 16 2HD2 LEU 16 2.412 3.146 -1.398 120 H LEU 17 H LEU 17 -1.261 0.067 -1.872 121 HA LEU 17 HA LEU 17 -0.714 -2.842 -1.524 122 HB2 LEU 17 1HB LEU 17 -3.068 -2.121 -1.970 123 HB3 LEU 17 2HB LEU 17 -2.524 -1.313 -3.421 124 HG LEU 17 HG LEU 17 -1.723 -3.680 -4.225 125 HD11 LEU 17 1HD1 LEU 17 -1.974 -4.930 -2.165 126 HD12 LEU 17 2HD1 LEU 17 -3.222 -5.492 -3.294 127 HD13 LEU 17 3HD1 LEU 17 -3.664 -4.408 -1.978 128 HD21 LEU 17 3HD2 LEU 17 -3.555 -2.418 -5.253 129 HD22 LEU 17 1HD2 LEU 17 -4.687 -3.033 -4.024 130 HD23 LEU 17 2HD2 LEU 17 -3.915 -4.142 -5.177 131 H LYS 18 H LYS 18 0.668 -3.957 -3.048 132 HA LYS 18 HA LYS 18 1.672 -2.318 -5.312 133 HB2 LYS 18 1HB LYS 18 3.217 -2.527 -3.102 134 HB3 LYS 18 2HB LYS 18 3.783 -3.943 -3.988 135 HG2 LYS 18 1HG LYS 18 3.561 -1.184 -5.226 136 HG3 LYS 18 2HG LYS 18 5.020 -1.775 -4.433 137 HD2 LYS 18 1HD LYS 18 3.666 -3.081 -6.824 138 HD3 LYS 18 2HD LYS 18 4.991 -1.941 -6.923 139 HE2 LYS 18 1HE LYS 18 5.108 -4.629 -5.480 140 HE3 LYS 18 2HE LYS 18 5.614 -4.309 -7.134 141 HZ1 LYS 18 3HZ LYS 18 7.199 -2.654 -6.208 142 HZ2 LYS 18 1HZ LYS 18 7.541 -4.201 -5.878 143 HZ3 LYS 18 2HZ LYS 18 6.898 -3.265 -4.704 144 H GLN 19 H GLN 19 0.371 -3.380 -6.681 145 HA GLN 19 HA GLN 19 -0.323 -6.003 -6.828 146 HB2 GLN 19 1HB GLN 19 -0.282 -3.669 -8.656 147 HB3 GLN 19 2HB GLN 19 -0.194 -5.191 -9.496 148 HG2 GLN 19 1HG GLN 19 -2.316 -5.137 -7.414 149 HG3 GLN 19 2HG GLN 19 -2.506 -3.963 -8.708 150 HE21 GLN 19 1HE2 GLN 19 -2.839 -7.326 -7.899 151 HE22 GLN 19 2HE2 GLN 19 -3.285 -7.835 -9.532 152 H GLN 20 H GLN 20 0.597 -7.891 -7.508 153 HA GLN 20 HA GLN 20 3.395 -7.961 -7.916 154 HB2 GLN 20 1HB GLN 20 1.225 -9.977 -7.845 155 HB3 GLN 20 2HB GLN 20 2.538 -10.373 -8.975 156 HG2 GLN 20 1HG GLN 20 4.197 -9.902 -7.161 157 HG3 GLN 20 2HG GLN 20 2.844 -9.661 -6.034 158 HE21 GLN 20 1HE2 GLN 20 4.851 -11.659 -5.510 159 HE22 GLN 20 2HE2 GLN 20 3.980 -13.174 -5.645 160 H GLY 21 H GLY 21 4.585 -7.603 -9.496 161 HA2 GLY 21 1HA GLY 21 5.364 -7.789 -11.743 162 HA3 GLY 21 2HA GLY 21 3.709 -7.656 -12.354 163 H CYS 22 H CYS 22 2.744 -5.502 -10.754 164 HA CYS 22 HA CYS 22 3.838 -3.278 -12.180 165 HB2 CYS 22 1HB CYS 22 1.955 -3.349 -9.768 166 HB3 CYS 22 2HB CYS 22 2.134 -2.027 -10.909 167 HG CYS 22 HG CYS 22 1.441 -3.470 -13.069 168 H ASN 23 H ASN 23 4.338 -1.298 -11.077 169 HA ASN 23 HA ASN 23 6.139 -1.641 -8.719 170 HB2 ASN 23 1HB ASN 23 6.609 0.226 -11.062 171 HB3 ASN 23 2HB ASN 23 7.732 -0.146 -9.828 172 HD21 ASN 23 1HD2 ASN 23 6.597 -1.054 -12.946 173 HD22 ASN 23 2HD2 ASN 23 7.419 -2.580 -13.060 174 H GLU 24 H GLU 24 3.748 0.237 -10.502 175 HA GLU 24 HA GLU 24 4.066 2.729 -9.173 176 HB2 GLU 24 1HB GLU 24 3.212 2.049 -11.515 177 HB3 GLU 24 2HB GLU 24 1.647 1.780 -10.768 178 HG2 GLU 24 1HG GLU 24 1.483 4.133 -10.156 179 HG3 GLU 24 2HG GLU 24 3.206 4.395 -10.502 180 H LEU 25 H LEU 25 3.779 2.609 -6.948 181 HA LEU 25 HA LEU 25 2.180 0.847 -5.562 182 HB2 LEU 25 1HB LEU 25 3.474 3.488 -4.940 183 HB3 LEU 25 2HB LEU 25 2.118 3.108 -3.917 184 HG LEU 25 HG LEU 25 4.141 2.436 -2.858 185 HD11 LEU 25 1HD1 LEU 25 2.056 1.109 -2.491 186 HD12 LEU 25 2HD1 LEU 25 3.555 0.220 -2.163 187 HD13 LEU 25 3HD1 LEU 25 2.631 -0.079 -3.642 188 HD21 LEU 25 3HD2 LEU 25 5.483 0.507 -3.730 189 HD22 LEU 25 1HD2 LEU 25 5.661 2.025 -4.617 190 HD23 LEU 25 2HD2 LEU 25 4.680 0.727 -5.299 191 H LEU 26 H LEU 26 0.200 0.941 -4.463 192 HA LEU 26 HA LEU 26 -1.771 2.867 -5.529 193 HB2 LEU 26 1HB LEU 26 -1.915 0.014 -5.189 194 HB3 LEU 26 2HB LEU 26 -3.049 0.742 -4.072 195 HG LEU 26 HG LEU 26 -4.174 0.231 -6.046 196 HD11 LEU 26 1HD1 LEU 26 -3.786 3.241 -6.051 197 HD12 LEU 26 2HD1 LEU 26 -4.779 2.357 -4.880 198 HD13 LEU 26 3HD1 LEU 26 -5.204 2.345 -6.597 199 HD21 LEU 26 3HD2 LEU 26 -2.325 0.218 -7.680 200 HD22 LEU 26 1HD2 LEU 26 -2.215 1.981 -7.571 201 HD23 LEU 26 2HD2 LEU 26 -3.659 1.224 -8.250 202 HA PRO 27 HA PRO 27 -1.291 4.258 -1.140 203 HB2 PRO 27 1HB PRO 27 -1.694 6.914 -1.611 204 HB3 PRO 27 2HB PRO 27 -0.101 6.164 -1.908 205 HG2 PRO 27 1HG PRO 27 -2.298 6.726 -3.917 206 HG3 PRO 27 2HG PRO 27 -0.570 7.126 -4.056 207 HD2 PRO 27 1HD PRO 27 -1.680 4.909 -5.175 208 HD3 PRO 27 2HD PRO 27 -0.009 4.903 -4.546 209 H LEU 28 H LEU 28 -3.030 4.504 0.175 210 HA LEU 28 HA LEU 28 -5.678 5.210 -0.950 211 HB2 LEU 28 1HB LEU 28 -5.216 2.727 0.713 212 HB3 LEU 28 2HB LEU 28 -6.715 3.228 0.049 213 HG LEU 28 HG LEU 28 -4.439 2.545 -1.884 214 HD11 LEU 28 1HD1 LEU 28 -4.274 0.781 -0.352 215 HD12 LEU 28 2HD1 LEU 28 -5.094 0.195 -1.807 216 HD13 LEU 28 3HD1 LEU 28 -6.052 0.565 -0.342 217 HD21 LEU 28 3HD2 LEU 28 -6.586 3.427 -2.756 218 HD22 LEU 28 1HD2 LEU 28 -7.423 2.067 -1.968 219 HD23 LEU 28 2HD2 LEU 28 -6.279 1.765 -3.281 220 H ARG 29 H ARG 29 -6.095 6.879 0.308 221 HA ARG 29 HA ARG 29 -4.901 7.470 2.799 222 HB2 ARG 29 1HB ARG 29 -7.551 8.440 1.670 223 HB3 ARG 29 2HB ARG 29 -6.830 9.079 3.123 224 HG2 ARG 29 1HG ARG 29 -4.951 9.274 0.870 225 HG3 ARG 29 2HG ARG 29 -6.516 9.953 0.465 226 HD2 ARG 29 1HD ARG 29 -6.362 11.189 2.769 227 HD3 ARG 29 2HD ARG 29 -4.649 10.794 2.681 228 HE ARG 29 HE ARG 29 -4.394 12.210 0.829 229 HH11 ARG 29 1HH1 ARG 29 -7.874 12.131 1.637 230 HH12 ARG 29 2HH1 ARG 29 -8.179 13.712 0.998 231 HH21 ARG 29 1HH2 ARG 29 -4.783 14.391 0.250 232 HH22 ARG 29 2HH2 ARG 29 -6.383 15.056 0.354 233 H THR 30 H THR 30 -8.136 6.018 2.096 234 HA THR 30 HA THR 30 -8.341 5.102 4.899 235 HB THR 30 HB THR 30 -10.711 5.894 4.920 236 HG1 THR 30 1HG THR 30 -11.484 7.177 3.400 237 HG21 THR 30 3HG2 THR 30 -10.275 8.201 5.473 238 HG22 THR 30 1HG2 THR 30 -8.741 8.186 4.575 239 HG23 THR 30 2HG2 THR 30 -8.935 7.200 6.047 240 H ASN 31 H ASN 31 -10.392 3.666 5.059 241 HA ASN 31 HA ASN 31 -10.216 1.546 3.164 242 HB2 ASN 31 1HB ASN 31 -11.159 1.723 5.666 243 HB3 ASN 31 2HB ASN 31 -12.668 1.937 4.908 244 HD21 ASN 31 1HD2 ASN 31 -12.562 0.219 2.660 245 HD22 ASN 31 2HD2 ASN 31 -12.332 -1.425 3.254 246 H ASP 32 H ASP 32 -12.015 4.539 3.169 247 HA ASP 32 HA ASP 32 -14.107 3.989 1.330 248 HB2 ASP 32 1HB ASP 32 -12.321 6.486 1.333 249 HB3 ASP 32 2HB ASP 32 -13.935 6.362 0.672 250 H ASP 33 H ASP 33 -10.620 4.643 0.917 251 HA ASP 33 HA ASP 33 -10.874 4.748 -1.966 252 HB2 ASP 33 1HB ASP 33 -8.853 5.519 0.017 253 HB3 ASP 33 2HB ASP 33 -8.163 4.743 -1.411 254 H TRP 34 H TRP 34 -9.926 2.384 0.439 255 HA TRP 34 HA TRP 34 -8.799 0.462 -1.340 256 HB2 TRP 34 1HB TRP 34 -8.680 0.085 0.958 257 HB3 TRP 34 2HB TRP 34 -10.432 0.090 1.197 258 HD1 TRP 34 HD TRP 34 -11.776 -2.117 0.452 259 HE1 TRP 34 1HE TRP 34 -11.106 -4.448 -0.365 260 HE3 TRP 34 3HE TRP 34 -6.747 -1.389 -0.055 261 HZ2 TRP 34 2HZ TRP 34 -8.693 -5.810 -1.193 262 HZ3 TRP 34 3HZ TRP 34 -5.325 -3.146 -1.007 263 HH2 TRP 34 HH TRP 34 -6.285 -5.388 -1.565 264 H GLN 35 H GLN 35 -12.234 1.198 -0.429 265 HA GLN 35 HA GLN 35 -13.421 -0.746 -2.186 266 HB2 GLN 35 1HB GLN 35 -14.364 1.791 -0.800 267 HB3 GLN 35 2HB GLN 35 -15.418 0.844 -1.829 268 HG2 GLN 35 1HG GLN 35 -13.932 -0.381 0.540 269 HG3 GLN 35 2HG GLN 35 -15.491 0.420 0.666 270 HE21 GLN 35 1HE2 GLN 35 -14.696 -2.694 0.961 271 HE22 GLN 35 2HE2 GLN 35 -15.800 -3.381 -0.199 272 H ARG 36 H ARG 36 -12.774 2.784 -2.533 273 HA ARG 36 HA ARG 36 -13.727 3.098 -5.157 274 HB2 ARG 36 1HB ARG 36 -11.347 4.441 -3.877 275 HB3 ARG 36 2HB ARG 36 -11.962 4.903 -5.428 276 HG2 ARG 36 1HG ARG 36 -13.916 5.801 -4.657 277 HG3 ARG 36 2HG ARG 36 -13.986 4.801 -3.212 278 HD2 ARG 36 1HD ARG 36 -12.473 6.171 -2.025 279 HD3 ARG 36 2HD ARG 36 -11.782 6.843 -3.512 280 HE ARG 36 HE ARG 36 -14.572 7.498 -3.139 281 HH11 ARG 36 1HH1 ARG 36 -11.307 8.363 -1.955 282 HH12 ARG 36 2HH1 ARG 36 -11.618 10.051 -1.895 283 HH21 ARG 36 1HH2 ARG 36 -14.931 9.780 -3.217 284 HH22 ARG 36 2HH2 ARG 36 -13.864 10.878 -2.415 285 H PHE 37 H PHE 37 -10.684 1.425 -4.297 286 HA PHE 37 HA PHE 37 -9.558 1.427 -6.901 287 HB2 PHE 37 1HB PHE 37 -8.367 0.604 -4.852 288 HB3 PHE 37 2HB PHE 37 -9.515 -0.714 -4.730 289 HD1 PHE 37 1HD PHE 37 -9.446 -2.684 -6.252 290 HD2 PHE 37 2HD PHE 37 -6.489 0.438 -6.374 291 HE1 PHE 37 1HE PHE 37 -7.971 -4.143 -7.605 292 HE2 PHE 37 2HE PHE 37 -4.989 -1.067 -7.713 293 HZ PHE 37 HZ PHE 37 -5.741 -3.358 -8.297 294 H CYS 38 H CYS 38 -11.643 -1.067 -5.352 295 HA CYS 38 HA CYS 38 -11.725 -2.619 -7.805 296 HB2 CYS 38 1HB CYS 38 -13.311 -4.041 -6.449 297 HB3 CYS 38 2HB CYS 38 -11.688 -3.828 -5.790 298 HG CYS 38 HG CYS 38 -12.145 -2.344 -3.861 299 H ALA 39 H ALA 39 -13.744 -0.280 -6.254 300 HA ALA 39 HA ALA 39 -16.129 -0.628 -7.820 301 HB1 ALA 39 1HB ALA 39 -16.091 0.502 -5.613 302 HB2 ALA 39 2HB ALA 39 -15.049 1.783 -6.285 303 HB3 ALA 39 3HB ALA 39 -16.708 1.603 -6.856 304 H ASP 40 H ASP 40 -13.004 0.738 -8.558 305 HA ASP 40 HA ASP 40 -14.155 2.049 -10.934 306 HB2 ASP 40 1HB ASP 40 -13.231 3.550 -8.984 307 HB3 ASP 40 2HB ASP 40 -11.675 3.160 -9.670 308 H SER 41 H SER 41 -13.120 -0.643 -10.649 309 HA SER 41 HA SER 41 -11.795 -2.152 -11.733 310 HB2 SER 41 1HB SER 41 -12.002 -0.112 -13.956 311 HB3 SER 41 2HB SER 41 -11.963 -1.879 -14.081 312 HG SER 41 HG SER 41 -13.990 -0.148 -13.506 313 H LYS 42 H LYS 42 -10.111 -0.143 -10.288 314 HA LYS 42 HA LYS 42 -8.105 1.060 -11.644 315 HB2 LYS 42 1HB LYS 42 -8.326 -0.183 -8.940 316 HB3 LYS 42 2HB LYS 42 -6.684 0.155 -9.461 317 HG2 LYS 42 1HG LYS 42 -8.859 2.276 -9.396 318 HG3 LYS 42 2HG LYS 42 -7.712 1.919 -8.077 319 HD2 LYS 42 1HD LYS 42 -5.860 2.234 -9.920 320 HD3 LYS 42 2HD LYS 42 -7.116 3.123 -10.793 321 HE2 LYS 42 1HE LYS 42 -6.093 3.691 -7.966 322 HE3 LYS 42 2HE LYS 42 -5.685 4.595 -9.423 323 HZ1 LYS 42 3HZ LYS 42 -7.407 5.718 -8.181 324 HZ2 LYS 42 1HZ LYS 42 -8.407 4.418 -8.266 325 HZ3 LYS 42 2HZ LYS 42 -7.976 5.231 -9.625 326 H HIS 43 H HIS 43 -7.627 -2.283 -10.363 327 HA HIS 43 HA HIS 43 -6.128 -3.041 -12.691 328 HB2 HIS 43 1HB HIS 43 -4.632 -1.886 -10.596 329 HB3 HIS 43 2HB HIS 43 -4.479 -3.605 -10.306 330 HD1 HIS 43 1HD HIS 43 -2.493 -1.115 -11.862 331 HD2 HIS 43 2HD HIS 43 -4.049 -4.824 -13.164 332 HE1 HIS 43 1HE HIS 43 -1.043 -1.892 -13.791 333 H LEU 44 H LEU 44 -5.173 -5.450 -11.908 334 HA LEU 44 HA LEU 44 -7.435 -7.060 -11.132 335 HB2 LEU 44 1HB LEU 44 -4.512 -7.543 -11.617 336 HB3 LEU 44 2HB LEU 44 -5.527 -8.815 -10.993 337 HG LEU 44 HG LEU 44 -7.008 -7.828 -13.194 338 HD11 LEU 44 1HD1 LEU 44 -5.421 -7.966 -15.063 339 HD12 LEU 44 2HD1 LEU 44 -4.076 -8.198 -13.924 340 HD13 LEU 44 3HD1 LEU 44 -4.957 -6.659 -13.978 341 HD21 LEU 44 3HD2 LEU 44 -6.458 -10.032 -14.145 342 HD22 LEU 44 1HD2 LEU 44 -6.851 -10.158 -12.413 343 HD23 LEU 44 2HD2 LEU 44 -5.152 -10.227 -12.961 344 H LEU 45 H LEU 45 -6.867 -8.795 -9.377 345 HA LEU 45 HA LEU 45 -5.367 -7.759 -7.083 346 HB2 LEU 45 1HB LEU 45 -8.126 -9.056 -6.984 347 HB3 LEU 45 2HB LEU 45 -7.079 -8.874 -5.580 348 HG LEU 45 HG LEU 45 -8.089 -6.526 -7.241 349 HD11 LEU 45 1HD1 LEU 45 -9.935 -7.805 -6.189 350 HD12 LEU 45 2HD1 LEU 45 -9.779 -6.172 -5.570 351 HD13 LEU 45 3HD1 LEU 45 -9.182 -7.546 -4.601 352 HD21 LEU 45 3HD2 LEU 45 -7.395 -5.150 -5.320 353 HD22 LEU 45 1HD2 LEU 45 -6.011 -6.056 -5.925 354 HD23 LEU 45 2HD2 LEU 45 -6.823 -6.596 -4.459 355 H GLN 46 H GLN 46 -3.748 -9.224 -6.896 356 HA GLN 46 HA GLN 46 -4.152 -12.032 -7.828 357 HB2 GLN 46 1HB GLN 46 -1.660 -10.317 -7.908 358 HB3 GLN 46 2HB GLN 46 -1.753 -12.009 -8.380 359 HG2 GLN 46 1HG GLN 46 -3.201 -11.539 -10.228 360 HG3 GLN 46 2HG GLN 46 -3.492 -9.888 -9.719 361 HE21 GLN 46 1HE2 GLN 46 -1.167 -8.678 -9.267 362 HE22 GLN 46 2HE2 GLN 46 -0.184 -8.696 -10.720 363 H TYR 47 H TYR 47 -3.139 -13.642 -6.569 364 HA TYR 47 HA TYR 47 -2.779 -13.244 -3.741 365 HB2 TYR 47 1HB TYR 47 -1.559 -15.421 -5.459 366 HB3 TYR 47 2HB TYR 47 -1.965 -15.499 -3.745 367 HD1 TYR 47 2HD TYR 47 -4.713 -14.567 -3.531 368 HD2 TYR 47 1HD TYR 47 -2.895 -16.955 -6.638 369 HE1 TYR 47 2HE TYR 47 -6.935 -15.361 -4.199 370 HE2 TYR 47 1HE TYR 47 -5.141 -17.820 -7.269 371 HH TYR 47 HH TYR 47 -8.153 -16.614 -5.737 372 H GLY 48 H GLY 48 -0.950 -12.847 -2.595 373 HA2 GLY 48 1HA GLY 48 1.269 -12.303 -2.269 374 HA3 GLY 48 2HA GLY 48 1.580 -12.472 -4.005 375 H ASP 49 H ASP 49 -1.012 -10.320 -3.792 376 HA ASP 49 HA ASP 49 0.452 -8.255 -4.906 377 HB2 ASP 49 1HB ASP 49 -2.338 -8.612 -3.862 378 HB3 ASP 49 2HB ASP 49 -1.806 -6.980 -4.019 379 H LYS 50 H LYS 50 0.374 -8.885 -1.674 380 HA LYS 50 HA LYS 50 1.007 -7.973 0.243 381 HB2 LYS 50 1HB LYS 50 3.057 -7.719 -1.388 382 HB3 LYS 50 2HB LYS 50 2.720 -5.990 -1.239 383 HG2 LYS 50 1HG LYS 50 2.928 -6.217 1.282 384 HG3 LYS 50 2HG LYS 50 3.359 -7.908 1.056 385 HD2 LYS 50 1HD LYS 50 4.873 -5.579 -0.220 386 HD3 LYS 50 2HD LYS 50 5.302 -6.282 1.332 387 HE2 LYS 50 1HE LYS 50 6.475 -7.921 0.358 388 HE3 LYS 50 2HE LYS 50 5.018 -8.480 -0.466 389 HZ1 LYS 50 3HZ LYS 50 5.512 -6.882 -2.241 390 HZ2 LYS 50 1HZ LYS 50 6.732 -7.955 -2.056 391 HZ3 LYS 50 2HZ LYS 50 6.914 -6.460 -1.433 392 H LEU 51 H LEU 51 0.264 -6.621 1.754 393 HA LEU 51 HA LEU 51 -0.358 -3.814 1.047 394 HB2 LEU 51 1HB LEU 51 -1.976 -5.777 2.661 395 HB3 LEU 51 2HB LEU 51 -1.885 -4.121 3.245 396 HG LEU 51 HG LEU 51 -2.789 -4.904 0.435 397 HD11 LEU 51 1HD1 LEU 51 -5.093 -4.541 1.278 398 HD12 LEU 51 2HD1 LEU 51 -4.449 -4.276 2.911 399 HD13 LEU 51 3HD1 LEU 51 -4.294 -5.861 2.135 400 HD21 LEU 51 3HD2 LEU 51 -2.085 -2.584 0.501 401 HD22 LEU 51 1HD2 LEU 51 -2.973 -2.320 2.031 402 HD23 LEU 51 2HD2 LEU 51 -3.849 -2.606 0.527 403 H VAL 52 H VAL 52 0.090 -2.349 2.706 404 HA VAL 52 HA VAL 52 1.759 -3.073 5.003 405 HB VAL 52 HB VAL 52 2.529 -1.231 2.673 406 HG11 VAL 52 1HG1 VAL 52 3.053 0.057 4.624 407 HG12 VAL 52 2HG1 VAL 52 3.722 -1.334 5.460 408 HG13 VAL 52 3HG1 VAL 52 4.569 -0.644 4.069 409 HG21 VAL 52 3HG2 VAL 52 3.879 -3.634 3.916 410 HG22 VAL 52 1HG2 VAL 52 3.265 -3.485 2.256 411 HG23 VAL 52 2HG2 VAL 52 4.675 -2.550 2.766 412 H ASP 53 H ASP 53 1.037 -1.625 6.718 413 HA ASP 53 HA ASP 53 -0.699 0.643 5.919 414 HB2 ASP 53 1HB ASP 53 -2.019 0.187 7.762 415 HB3 ASP 53 2HB ASP 53 -1.707 -1.364 7.036 416 H SER 54 H SER 54 -0.823 2.174 7.994 417 HA SER 54 HA SER 54 1.751 3.447 8.234 418 HB2 SER 54 1HB SER 54 -0.999 3.881 9.317 419 HB3 SER 54 2HB SER 54 0.326 4.549 10.265 420 HG SER 54 HG SER 54 1.031 5.703 8.457 421 H ASN 55 H ASN 55 0.762 0.666 9.799 422 HA ASN 55 HA ASN 55 2.459 1.127 12.208 423 HB2 ASN 55 1HB ASN 55 0.113 -0.682 11.637 424 HB3 ASN 55 2HB ASN 55 1.327 -1.194 12.793 425 HD21 ASN 55 1HD2 ASN 55 -0.795 1.642 12.076 426 HD22 ASN 55 2HD2 ASN 55 -0.925 2.118 13.767 427 H PHE 56 H PHE 56 2.781 0.087 9.074 428 HA PHE 56 HA PHE 56 4.313 -1.138 7.956 429 HB2 PHE 56 1HB PHE 56 5.806 -1.100 10.607 430 HB3 PHE 56 2HB PHE 56 6.406 -1.869 9.203 431 HD1 PHE 56 2HD PHE 56 4.999 1.570 10.030 432 HD2 PHE 56 1HD PHE 56 7.952 -0.792 7.930 433 HE1 PHE 56 2HE PHE 56 6.053 3.618 9.190 434 HE2 PHE 56 1HE PHE 56 9.001 1.272 7.103 435 HZ PHE 56 HZ PHE 56 8.066 3.500 7.722 436 H HIS 57 H HIS 57 1.953 -2.459 9.477 437 HA HIS 57 HA HIS 57 2.970 -5.197 9.953 438 HB2 HIS 57 1HB HIS 57 0.185 -4.039 9.771 439 HB3 HIS 57 2HB HIS 57 0.580 -5.752 10.007 440 HD1 HIS 57 1HD HIS 57 -1.032 -4.664 12.314 441 HD2 HIS 57 2HD HIS 57 3.138 -4.149 12.037 442 HE1 HIS 57 1HE HIS 57 -0.217 -4.292 14.664 443 H CYS 58 H CYS 58 3.664 -6.399 8.228 444 HA CYS 58 HA CYS 58 2.732 -5.621 5.558 445 HB2 CYS 58 1HB CYS 58 5.090 -7.003 6.493 446 HB3 CYS 58 2HB CYS 58 4.100 -8.172 5.626 447 HG CYS 58 HG CYS 58 3.548 -6.288 3.651 448 H PHE 59 H PHE 59 1.483 -6.850 4.333 449 HA PHE 59 HA PHE 59 0.021 -9.163 5.457 450 HB2 PHE 59 1HB PHE 59 -0.826 -6.473 4.324 451 HB3 PHE 59 2HB PHE 59 -1.969 -7.762 4.484 452 HD1 PHE 59 2HD PHE 59 -1.210 -8.864 7.221 453 HD2 PHE 59 1HD PHE 59 -1.492 -4.809 5.809 454 HE1 PHE 59 2HE PHE 59 -1.586 -8.093 9.538 455 HE2 PHE 59 1HE PHE 59 -1.871 -4.033 8.106 456 HZ PHE 59 HZ PHE 59 -1.903 -5.658 9.997 457 H VAL 60 H VAL 60 -0.633 -10.613 3.862 458 HA VAL 60 HA VAL 60 0.023 -10.171 1.023 459 HB VAL 60 HB VAL 60 0.665 -12.537 2.848 460 HG11 VAL 60 1HG1 VAL 60 1.547 -13.668 0.775 461 HG12 VAL 60 2HG1 VAL 60 -0.202 -13.567 0.860 462 HG13 VAL 60 3HG1 VAL 60 0.702 -12.448 -0.196 463 HG21 VAL 60 3HG2 VAL 60 2.425 -10.858 0.993 464 HG22 VAL 60 1HG2 VAL 60 2.383 -10.738 2.766 465 HG23 VAL 60 2HG2 VAL 60 2.962 -12.220 2.002 466 H LEU 61 H LEU 61 -1.456 -11.214 -0.366 467 HA LEU 61 HA LEU 61 -4.131 -11.889 0.737 468 HB2 LEU 61 1HB LEU 61 -3.882 -10.294 -1.298 469 HB3 LEU 61 2HB LEU 61 -3.122 -11.617 -2.150 470 HG LEU 61 HG LEU 61 -5.262 -13.002 -1.745 471 HD11 LEU 61 1HD1 LEU 61 -6.186 -11.412 0.045 472 HD12 LEU 61 2HD1 LEU 61 -7.291 -11.911 -1.240 473 HD13 LEU 61 3HD1 LEU 61 -6.519 -10.296 -1.288 474 HD21 LEU 61 3HD2 LEU 61 -6.489 -11.945 -3.593 475 HD22 LEU 61 1HD2 LEU 61 -4.778 -12.108 -3.926 476 HD23 LEU 61 2HD2 LEU 61 -5.431 -10.529 -3.470 477 H GLU 62 H GLU 62 -4.882 -14.013 0.578 478 HA GLU 62 HA GLU 62 -3.043 -16.026 -0.663 479 HB2 GLU 62 1HB GLU 62 -4.767 -16.273 1.849 480 HB3 GLU 62 2HB GLU 62 -3.943 -17.602 1.039 481 HG2 GLU 62 1HG GLU 62 -1.792 -16.056 1.312 482 HG3 GLU 62 2HG GLU 62 -2.768 -15.307 2.588 483 H GLU 63 H GLU 63 -4.175 -18.089 -1.187 484 HA GLU 63 HA GLU 63 -6.055 -17.676 -3.197 485 HB2 GLU 63 1HB GLU 63 -5.472 -20.252 -1.651 486 HB3 GLU 63 2HB GLU 63 -6.304 -20.120 -3.182 487 HG2 GLU 63 1HG GLU 63 -4.282 -20.663 -3.991 488 HG3 GLU 63 2HG GLU 63 -4.090 -18.933 -3.997 489 H ASP 64 H ASP 64 -6.539 -18.141 0.208 490 HA ASP 64 HA ASP 64 -9.278 -19.038 0.093 491 HB2 ASP 64 1HB ASP 64 -7.409 -19.145 2.004 492 HB3 ASP 64 2HB ASP 64 -8.167 -17.644 2.481 493 H ALA 65 H ALA 65 -8.038 -16.181 -0.773 494 HA ALA 65 HA ALA 65 -8.772 -14.204 -1.349 495 HB1 ALA 65 1HB ALA 65 -10.772 -15.375 -2.237 496 HB2 ALA 65 2HB ALA 65 -11.586 -15.115 -0.691 497 HB3 ALA 65 3HB ALA 65 -11.115 -13.711 -1.655 498 H HIS 66 H HIS 66 -8.357 -15.019 1.634 499 HA HIS 66 HA HIS 66 -9.226 -12.423 2.782 500 HB2 HIS 66 1HB HIS 66 -8.722 -13.399 4.970 501 HB3 HIS 66 2HB HIS 66 -9.921 -14.328 4.104 502 HD1 HIS 66 1HD HIS 66 -9.445 -16.668 5.256 503 HD2 HIS 66 2HD HIS 66 -6.054 -14.853 3.497 504 HE1 HIS 66 1HE HIS 66 -7.575 -18.339 5.412 505 H TRP 67 H TRP 67 -7.422 -11.754 4.509 506 HA TRP 67 HA TRP 67 -4.786 -11.696 3.126 507 HB2 TRP 67 1HB TRP 67 -6.320 -9.477 4.589 508 HB3 TRP 67 2HB TRP 67 -4.631 -9.411 4.261 509 HD1 TRP 67 HD TRP 67 -7.887 -9.248 2.278 510 HE1 TRP 67 1HE TRP 67 -7.363 -8.167 -0.030 511 HE3 TRP 67 3HE TRP 67 -2.803 -8.885 2.628 512 HZ2 TRP 67 2HZ TRP 67 -5.050 -7.363 -1.520 513 HZ3 TRP 67 3HZ TRP 67 -1.461 -8.021 0.754 514 HH2 TRP 67 HH TRP 67 -2.582 -7.245 -1.344 515 H HIS 68 H HIS 68 -3.235 -12.763 4.399 516 HA HIS 68 HA HIS 68 -3.776 -13.103 7.306 517 HB2 HIS 68 1HB HIS 68 -3.010 -14.987 5.201 518 HB3 HIS 68 2HB HIS 68 -1.814 -14.965 6.485 519 HD1 HIS 68 1HD HIS 68 -5.517 -15.894 5.951 520 HD2 HIS 68 2HD HIS 68 -2.371 -16.188 8.713 521 HE1 HIS 68 1HE HIS 68 -6.405 -17.253 7.870 522 HA PRO 69 HA PRO 69 -0.412 -10.529 8.150 523 HB2 PRO 69 1HB PRO 69 0.684 -11.467 10.489 524 HB3 PRO 69 2HB PRO 69 -0.917 -10.668 10.368 525 HG2 PRO 69 1HG PRO 69 -0.308 -13.636 10.386 526 HG3 PRO 69 2HG PRO 69 -1.516 -12.744 11.366 527 HD2 PRO 69 1HD PRO 69 -2.240 -14.021 9.105 528 HD3 PRO 69 2HD PRO 69 -2.935 -12.419 9.490 529 H ALA 70 H ALA 70 1.751 -10.123 7.795 530 HA ALA 70 HA ALA 70 3.518 -12.420 7.195 531 HB1 ALA 70 1HB ALA 70 2.265 -11.691 5.164 532 HB2 ALA 70 2HB ALA 70 2.986 -10.071 5.344 533 HB3 ALA 70 3HB ALA 70 4.021 -11.484 5.038 534 H ALA 71 H ALA 71 3.652 -10.948 9.528 535 HA ALA 71 HA ALA 71 5.120 -10.066 10.947 536 HB1 ALA 71 1HB ALA 71 7.515 -10.025 10.352 537 HB2 ALA 71 2HB ALA 71 6.739 -11.481 9.724 538 HB3 ALA 71 3HB ALA 71 7.114 -10.111 8.647 539 HA PRO 72 HA PRO 72 5.381 -5.647 10.346 540 HB2 PRO 72 1HB PRO 72 7.493 -4.867 11.877 541 HB3 PRO 72 2HB PRO 72 5.894 -5.364 12.571 542 HG2 PRO 72 1HG PRO 72 8.387 -7.070 12.244 543 HG3 PRO 72 2HG PRO 72 7.370 -6.872 13.703 544 HD2 PRO 72 1HD PRO 72 7.001 -8.976 12.068 545 HD3 PRO 72 2HD PRO 72 5.593 -8.127 12.746 546 H LEU 73 H LEU 73 6.931 -3.953 9.614 547 HA LEU 73 HA LEU 73 8.922 -5.034 7.704 548 HB2 LEU 73 1HB LEU 73 6.700 -4.589 6.839 549 HB3 LEU 73 2HB LEU 73 6.788 -2.922 7.352 550 HG LEU 73 HG LEU 73 8.847 -3.982 5.410 551 HD11 LEU 73 1HD1 LEU 73 6.174 -2.796 4.592 552 HD12 LEU 73 2HD1 LEU 73 6.648 -4.498 4.344 553 HD13 LEU 73 3HD1 LEU 73 7.513 -3.199 3.521 554 HD21 LEU 73 3HD2 LEU 73 8.834 -1.718 4.722 555 HD22 LEU 73 1HD2 LEU 73 9.191 -1.937 6.433 556 HD23 LEU 73 2HD2 LEU 73 7.597 -1.300 5.891 557 HA PRO 74 HA PRO 74 11.636 -2.308 9.802 558 HB2 PRO 74 1HB PRO 74 13.787 -2.213 8.087 559 HB3 PRO 74 2HB PRO 74 13.310 -3.649 9.020 560 HG2 PRO 74 1HG PRO 74 12.762 -3.049 6.126 561 HG3 PRO 74 2HG PRO 74 13.241 -4.601 6.880 562 HD2 PRO 74 1HD PRO 74 10.682 -3.945 6.211 563 HD3 PRO 74 2HD PRO 74 11.076 -5.077 7.526 564 HA PRO 75 HA PRO 75 11.125 1.870 8.473 565 HB2 PRO 75 1HB PRO 75 13.496 3.136 9.173 566 HB3 PRO 75 2HB PRO 75 12.202 2.622 10.293 567 HG2 PRO 75 1HG PRO 75 14.753 1.168 9.577 568 HG3 PRO 75 2HG PRO 75 14.067 1.485 11.205 569 HD2 PRO 75 1HD PRO 75 13.718 -0.888 9.989 570 HD3 PRO 75 2HD PRO 75 12.392 -0.140 10.929 571 H GLU 76 H GLU 76 13.519 0.039 6.999 572 HA GLU 76 HA GLU 76 13.886 1.975 4.759 573 HB2 GLU 76 1HB GLU 76 15.729 0.385 4.075 574 HB3 GLU 76 2HB GLU 76 16.014 1.309 5.549 575 HG2 GLU 76 1HG GLU 76 15.939 -0.499 6.932 576 HG3 GLU 76 2HG GLU 76 14.738 -1.351 5.969 577 H GLY 77 H GLY 77 12.122 -0.960 5.606 578 HA2 GLY 77 1HA GLY 77 12.048 -2.210 3.029 579 HA3 GLY 77 2HA GLY 77 10.936 -2.423 4.360 580 H LEU 78 H LEU 78 10.265 0.459 4.514 581 HA LEU 78 HA LEU 78 8.027 0.550 2.730 582 HB2 LEU 78 1HB LEU 78 7.920 1.704 4.843 583 HB3 LEU 78 2HB LEU 78 9.403 2.603 4.514 584 HG LEU 78 HG LEU 78 8.266 3.892 2.737 585 HD11 LEU 78 1HD1 LEU 78 5.770 2.370 3.613 586 HD12 LEU 78 2HD1 LEU 78 6.539 2.302 2.008 587 HD13 LEU 78 3HD1 LEU 78 5.780 3.798 2.556 588 HD21 LEU 78 3HD2 LEU 78 8.336 4.747 5.040 589 HD22 LEU 78 1HD2 LEU 78 6.808 3.920 5.405 590 HD23 LEU 78 2HD2 LEU 78 6.852 5.245 4.223 591 H ASN 79 H ASN 79 11.106 2.367 2.908 592 HA ASN 79 HA ASN 79 10.923 3.828 0.562 593 HB2 ASN 79 1HB ASN 79 13.491 2.729 1.783 594 HB3 ASN 79 2HB ASN 79 13.317 4.160 0.785 595 HD21 ASN 79 1HD2 ASN 79 13.799 5.937 2.177 596 HD22 ASN 79 2HD2 ASN 79 13.083 6.053 3.794 597 H ASP 80 H ASP 80 11.925 0.420 1.035 598 HA ASP 80 HA ASP 80 13.000 0.020 -1.622 599 HB2 ASP 80 1HB ASP 80 11.719 -1.913 0.371 600 HB3 ASP 80 2HB ASP 80 12.234 -2.393 -1.235 601 H LEU 81 H LEU 81 9.693 -0.425 -0.239 602 HA LEU 81 HA LEU 81 8.597 -1.371 -2.734 603 HB2 LEU 81 1HB LEU 81 7.415 -0.277 -0.155 604 HB3 LEU 81 2HB LEU 81 6.374 -0.545 -1.545 605 HG LEU 81 HG LEU 81 8.158 -2.724 -0.384 606 HD11 LEU 81 1HD1 LEU 81 5.190 -2.260 0.118 607 HD12 LEU 81 2HD1 LEU 81 6.502 -1.964 1.285 608 HD13 LEU 81 3HD1 LEU 81 6.177 -3.608 0.725 609 HD21 LEU 81 3HD2 LEU 81 5.843 -2.739 -2.374 610 HD22 LEU 81 1HD2 LEU 81 6.501 -4.194 -1.617 611 HD23 LEU 81 2HD2 LEU 81 7.547 -3.237 -2.660 612 H ILE 82 H ILE 82 8.538 1.838 -1.142 613 HA ILE 82 HA ILE 82 7.205 3.176 -3.247 614 HB ILE 82 HB ILE 82 9.091 4.118 -1.076 615 HG12 ILE 82 1HG1 ILE 82 6.811 3.199 -0.465 616 HG13 ILE 82 2HG1 ILE 82 7.152 4.809 0.102 617 HG21 ILE 82 1HG2 ILE 82 7.630 5.846 -3.109 618 HG22 ILE 82 2HG2 ILE 82 8.290 6.455 -1.588 619 HG23 ILE 82 3HG2 ILE 82 9.373 5.780 -2.777 620 HD11 ILE 82 3HD1 ILE 82 5.705 5.814 -1.561 621 HD12 ILE 82 1HD1 ILE 82 5.498 4.292 -2.420 622 HD13 ILE 82 2HD1 ILE 82 4.819 4.498 -0.793 623 H ARG 83 H ARG 83 10.743 2.372 -2.952 624 HA ARG 83 HA ARG 83 11.664 3.900 -5.023 625 HB2 ARG 83 1HB ARG 83 12.606 1.603 -3.565 626 HB3 ARG 83 2HB ARG 83 12.749 1.198 -5.255 627 HG2 ARG 83 1HG ARG 83 13.775 3.579 -5.514 628 HG3 ARG 83 2HG ARG 83 13.943 3.532 -3.752 629 HD2 ARG 83 1HD ARG 83 15.168 1.343 -4.018 630 HD3 ARG 83 2HD ARG 83 15.139 1.582 -5.781 631 HE ARG 83 HE ARG 83 16.175 3.950 -4.712 632 HH11 ARG 83 1HH1 ARG 83 17.294 0.514 -4.872 633 HH12 ARG 83 2HH1 ARG 83 18.938 1.018 -4.740 634 HH21 ARG 83 1HH2 ARG 83 18.265 4.474 -4.506 635 HH22 ARG 83 2HH2 ARG 83 19.523 3.294 -4.379 636 H ALA 84 H ALA 84 9.757 0.907 -5.280 637 HA ALA 84 HA ALA 84 10.022 0.519 -8.076 638 HB1 ALA 84 1HB ALA 84 9.000 -1.084 -6.419 639 HB2 ALA 84 2HB ALA 84 7.528 -0.077 -6.458 640 HB3 ALA 84 3HB ALA 84 8.106 -0.884 -7.928 641 H HIS 85 H HIS 85 7.396 2.257 -6.420 642 HA HIS 85 HA HIS 85 6.196 3.423 -8.673 643 HB2 HIS 85 1HB HIS 85 5.211 3.390 -6.446 644 HB3 HIS 85 2HB HIS 85 6.467 4.439 -5.815 645 HD1 HIS 85 1HD HIS 85 3.003 4.753 -7.424 646 HD2 HIS 85 2HD HIS 85 6.500 7.036 -6.669 647 HE1 HIS 85 1HE HIS 85 2.387 7.167 -7.703 648 H CYS 86 H CYS 86 8.922 4.677 -6.674 649 HA CYS 86 HA CYS 86 8.986 7.143 -8.173 650 HB2 CYS 86 1HB CYS 86 11.086 5.848 -6.360 651 HB3 CYS 86 2HB CYS 86 11.141 7.517 -6.937 652 HG CYS 86 HG CYS 86 8.912 5.991 -5.033 653 H ALA 87 H ALA 87 10.560 4.044 -8.700 654 HA ALA 87 HA ALA 87 12.423 5.200 -10.650 655 HB1 ALA 87 1HB ALA 87 12.005 2.333 -9.692 656 HB2 ALA 87 2HB ALA 87 13.341 2.916 -10.688 657 HB3 ALA 87 3HB ALA 87 13.182 3.484 -9.017 658 H THR 88 H THR 88 9.248 3.886 -10.739 659 HA THR 88 HA THR 88 9.485 3.271 -13.626 660 HB THR 88 HB THR 88 8.199 1.855 -11.975 661 HG1 THR 88 1HG THR 88 6.275 2.207 -13.702 662 HG21 THR 88 3HG2 THR 88 6.938 3.600 -10.810 663 HG22 THR 88 1HG2 THR 88 5.881 2.392 -11.508 664 HG23 THR 88 2HG2 THR 88 6.037 3.971 -12.292 665 H LEU 89 H LEU 89 8.656 5.945 -11.470 666 HA LEU 89 HA LEU 89 7.647 7.515 -13.800 667 HB2 LEU 89 1HB LEU 89 7.346 8.040 -10.840 668 HB3 LEU 89 2HB LEU 89 6.569 8.917 -12.167 669 HG LEU 89 HG LEU 89 6.054 6.039 -11.357 670 HD11 LEU 89 1HD1 LEU 89 5.101 7.619 -9.796 671 HD12 LEU 89 2HD1 LEU 89 3.816 6.825 -10.721 672 HD13 LEU 89 3HD1 LEU 89 4.293 8.494 -11.108 673 HD21 LEU 89 3HD2 LEU 89 4.163 6.162 -13.014 674 HD22 LEU 89 1HD2 LEU 89 5.742 6.254 -13.785 675 HD23 LEU 89 2HD2 LEU 89 4.772 7.735 -13.553 676 H GLY 90 H GLY 90 10.342 7.439 -11.537 677 HA2 GLY 90 1HA GLY 90 12.350 8.482 -12.116 678 HA3 GLY 90 2HA GLY 90 11.470 9.746 -12.975 679 H HIS 91 H HIS 91 10.488 8.961 -9.723 680 HA HIS 91 HA HIS 91 10.505 11.810 -9.318 681 HB2 HIS 91 1HB HIS 91 9.642 9.565 -7.464 682 HB3 HIS 91 2HB HIS 91 9.330 11.282 -7.206 683 HD1 HIS 91 1HD HIS 91 8.620 11.743 -10.517 684 HD2 HIS 91 2HD HIS 91 6.941 9.132 -7.644 685 HE1 HIS 91 1HE HIS 91 6.239 11.342 -11.215 686 H CYS 92 H CYS 92 12.631 9.315 -7.973 687 HA CYS 92 HA CYS 92 14.237 9.298 -6.429 688 HB2 CYS 92 1HB CYS 92 14.634 12.255 -6.997 689 HB3 CYS 92 2HB CYS 92 15.830 11.097 -6.408 690 HG CYS 92 HG CYS 92 15.812 9.543 -8.552 691 H CYS 93 H CYS 93 15.274 10.762 -4.465 692 HA CYS 93 HA CYS 93 13.106 11.390 -2.571 693 HB2 CYS 93 1HB CYS 93 16.088 11.743 -2.109 694 HB3 CYS 93 2HB CYS 93 14.819 11.446 -0.940 695 HG CYS 93 HG CYS 93 14.335 8.958 -2.263 696 H THR 94 H THR 94 13.538 13.509 -1.293 697 HA THR 94 HA THR 94 15.079 15.557 -2.712 698 HB THR 94 HB THR 94 13.251 16.218 -3.845 699 HG1 THR 94 1HG THR 94 13.224 18.017 -2.806 700 HG21 THR 94 3HG2 THR 94 11.377 15.180 -1.697 701 HG22 THR 94 1HG2 THR 94 11.699 14.415 -3.271 702 HG23 THR 94 2HG2 THR 94 10.897 15.984 -3.200 703 H SER 95 H SER 95 12.761 15.071 -0.020 704 HA SER 95 HA SER 95 14.084 16.962 1.778 705 HB2 SER 95 1HB SER 95 11.651 15.132 1.892 706 HB3 SER 95 2HB SER 95 12.271 15.947 3.334 707 HG SER 95 HG SER 95 11.304 17.186 0.966 708 H LYS 96 H LYS 96 13.756 15.387 4.199 709 HA LYS 96 HA LYS 96 16.262 13.989 4.269 710 HB2 LYS 96 1HB LYS 96 15.672 13.300 6.489 711 HB3 LYS 96 2HB LYS 96 15.409 15.038 6.239 712 HG2 LYS 96 1HG LYS 96 13.042 14.471 5.722 713 HG3 LYS 96 2HG LYS 96 13.315 12.829 6.368 714 HD2 LYS 96 1HD LYS 96 13.880 13.685 8.547 715 HD3 LYS 96 2HD LYS 96 13.769 15.364 7.970 716 HE2 LYS 96 1HE LYS 96 11.401 15.149 7.513 717 HE3 LYS 96 2HE LYS 96 11.445 13.410 7.886 718 HZ1 LYS 96 3HZ LYS 96 10.619 14.783 9.752 719 HZ2 LYS 96 1HZ LYS 96 12.100 15.513 9.843 720 HZ3 LYS 96 2HZ LYS 96 11.949 13.908 10.133 721 H MET 97 H MET 97 16.674 11.894 3.652 722 HA MET 97 HA MET 97 16.464 10.107 2.487 723 HB2 MET 97 1HB MET 97 15.621 8.340 3.683 724 HB3 MET 97 2HB MET 97 16.117 9.510 4.862 725 HG2 MET 97 1HG MET 97 13.478 10.154 4.732 726 HG3 MET 97 2HG MET 97 13.368 8.473 4.273 727 HE1 MET 97 3HE MET 97 14.652 6.571 5.776 728 HE2 MET 97 1HE MET 97 14.042 6.561 7.448 729 HE3 MET 97 2HE MET 97 12.904 6.742 6.097 730 H HIS 98 H HIS 98 14.301 8.328 1.861 731 HA HIS 98 HA HIS 98 13.009 9.756 -0.320 732 HB2 HIS 98 1HB HIS 98 12.925 6.986 0.736 733 HB3 HIS 98 2HB HIS 98 11.375 7.564 0.158 734 HD1 HIS 98 1HD HIS 98 14.567 6.087 -1.248 735 HD2 HIS 98 2HD HIS 98 11.317 8.531 -2.464 736 HE1 HIS 98 1HE HIS 98 14.534 6.055 -3.751 737 H LEU 99 H LEU 99 11.561 8.366 2.725 738 HA LEU 99 HA LEU 99 9.618 10.621 2.792 739 HB2 LEU 99 1HB LEU 99 9.061 7.636 2.607 740 HB3 LEU 99 2HB LEU 99 7.860 8.830 3.103 741 HG LEU 99 HG LEU 99 9.262 8.911 0.370 742 HD11 LEU 99 1HD1 LEU 99 8.058 6.874 0.563 743 HD12 LEU 99 2HD1 LEU 99 7.060 7.991 -0.414 744 HD13 LEU 99 3HD1 LEU 99 6.682 7.684 1.297 745 HD21 LEU 99 3HD2 LEU 99 8.371 11.103 1.025 746 HD22 LEU 99 1HD2 LEU 99 6.818 10.371 1.505 747 HD23 LEU 99 2HD2 LEU 99 7.331 10.387 -0.193 748 H HIS 100 H HIS 100 8.935 11.121 4.701 749 HA HIS 100 HA HIS 100 10.558 10.371 6.902 750 HB2 HIS 100 1HB HIS 100 8.022 11.891 7.261 751 HB3 HIS 100 2HB HIS 100 9.566 12.153 8.011 752 HD1 HIS 100 1HD HIS 100 7.416 14.025 5.894 753 HD2 HIS 100 2HD HIS 100 11.386 12.691 5.407 754 HE1 HIS 100 1HE HIS 100 8.519 15.645 4.332 755 H SER 101 H SER 101 7.285 9.568 5.865 756 HA SER 101 HA SER 101 7.331 7.106 7.191 757 HB2 SER 101 1HB SER 101 5.675 7.193 8.843 758 HB3 SER 101 2HB SER 101 6.738 8.550 9.216 759 HG SER 101 HG SER 101 5.213 9.945 8.649 760 H VAL 102 H VAL 102 4.734 6.294 7.163 761 HA VAL 102 HA VAL 102 4.070 6.080 4.406 762 HB VAL 102 HB VAL 102 2.461 5.477 6.918 763 HG11 VAL 102 1HG1 VAL 102 1.101 3.979 5.552 764 HG12 VAL 102 2HG1 VAL 102 1.004 5.607 4.890 765 HG13 VAL 102 3HG1 VAL 102 2.037 4.412 4.094 766 HG21 VAL 102 3HG2 VAL 102 4.253 3.692 5.215 767 HG22 VAL 102 1HG2 VAL 102 4.544 4.177 6.899 768 HG23 VAL 102 2HG2 VAL 102 3.194 3.116 6.508 769 H MET 103 H MET 103 2.715 8.184 7.041 770 HA MET 103 HA MET 103 0.527 9.171 5.599 771 HB2 MET 103 1HB MET 103 1.012 9.591 8.033 772 HB3 MET 103 2HB MET 103 2.279 10.711 7.547 773 HG2 MET 103 1HG MET 103 0.705 12.281 7.737 774 HG3 MET 103 2HG MET 103 0.161 11.770 6.158 775 HE1 MET 103 3HE MET 103 -1.348 8.944 6.933 776 HE2 MET 103 1HE MET 103 -2.992 9.578 7.123 777 HE3 MET 103 2HE MET 103 -1.965 10.176 5.798 778 H ASP 104 H ASP 104 3.899 10.403 5.666 779 HA ASP 104 HA ASP 104 3.486 12.539 3.831 780 HB2 ASP 104 1HB ASP 104 6.056 10.970 4.404 781 HB3 ASP 104 2HB ASP 104 5.934 12.493 3.546 782 H ALA 105 H ALA 105 4.224 9.094 3.380 783 HA ALA 105 HA ALA 105 4.889 9.143 0.615 784 HB1 ALA 105 1HB ALA 105 4.874 7.097 2.316 785 HB2 ALA 105 2HB ALA 105 3.196 6.892 1.807 786 HB3 ALA 105 3HB ALA 105 4.476 6.802 0.600 787 H ILE 106 H ILE 106 1.712 8.732 2.186 788 HA ILE 106 HA ILE 106 0.218 8.464 -0.217 789 HB ILE 106 HB ILE 106 -0.568 9.466 2.548 790 HG12 ILE 106 1HG1 ILE 106 0.380 7.175 2.581 791 HG13 ILE 106 2HG1 ILE 106 -1.284 7.278 3.054 792 HG21 ILE 106 1HG2 ILE 106 -2.368 8.594 0.273 793 HG22 ILE 106 2HG2 ILE 106 -2.885 8.665 1.976 794 HG23 ILE 106 3HG2 ILE 106 -2.363 10.133 1.154 795 HD11 ILE 106 3HD1 ILE 106 -0.270 6.264 0.397 796 HD12 ILE 106 1HD1 ILE 106 -0.851 5.279 1.734 797 HD13 ILE 106 2HD1 ILE 106 -1.993 6.333 0.891 798 H ASP 107 H ASP 107 1.327 11.348 1.580 799 HA ASP 107 HA ASP 107 -0.235 13.183 -0.080 800 HB2 ASP 107 1HB ASP 107 1.101 13.314 2.447 801 HB3 ASP 107 2HB ASP 107 1.820 14.544 1.406 802 H PHE 108 H PHE 108 3.015 11.844 -0.126 803 HA PHE 108 HA PHE 108 4.134 13.646 -2.084 804 HB2 PHE 108 1HB PHE 108 5.486 12.186 -0.569 805 HB3 PHE 108 2HB PHE 108 4.848 10.773 -1.364 806 HD1 PHE 108 2HD PHE 108 6.333 14.005 -2.702 807 HD2 PHE 108 1HD PHE 108 6.564 9.696 -2.543 808 HE1 PHE 108 2HE PHE 108 8.326 14.044 -4.165 809 HE2 PHE 108 1HE PHE 108 8.550 9.752 -4.010 810 HZ PHE 108 HZ PHE 108 9.454 11.928 -4.814 811 H LEU 109 H LEU 109 3.053 10.191 -2.464 812 HA LEU 109 HA LEU 109 3.007 10.056 -5.182 813 HB2 LEU 109 1HB LEU 109 1.316 8.711 -3.023 814 HB3 LEU 109 2HB LEU 109 1.169 8.352 -4.753 815 HG LEU 109 HG LEU 109 3.618 7.858 -4.824 816 HD11 LEU 109 1HD1 LEU 109 4.419 8.832 -2.722 817 HD12 LEU 109 2HD1 LEU 109 4.917 7.192 -3.081 818 HD13 LEU 109 3HD1 LEU 109 3.635 7.469 -1.864 819 HD21 LEU 109 3HD2 LEU 109 3.317 5.569 -3.894 820 HD22 LEU 109 1HD2 LEU 109 1.880 6.096 -4.780 821 HD23 LEU 109 2HD2 LEU 109 1.884 6.143 -2.988 822 H ASN 110 H ASN 110 0.233 11.253 -3.172 823 HA ASN 110 HA ASN 110 -1.441 11.574 -5.509 824 HB2 ASN 110 1HB ASN 110 -1.638 12.244 -2.615 825 HB3 ASN 110 2HB ASN 110 -2.439 13.394 -3.643 826 HD21 ASN 110 1HD2 ASN 110 -2.702 10.251 -2.303 827 HD22 ASN 110 2HD2 ASN 110 -4.006 9.689 -3.335 828 H ALA 111 H ALA 111 1.162 13.547 -4.317 829 HA ALA 111 HA ALA 111 0.141 15.989 -5.663 830 HB1 ALA 111 1HB ALA 111 2.541 15.398 -3.913 831 HB2 ALA 111 2HB ALA 111 2.140 16.988 -4.576 832 HB3 ALA 111 3HB ALA 111 1.052 16.215 -3.407 833 H LEU 112 H LEU 112 2.272 13.265 -6.160 834 HA LEU 112 HA LEU 112 3.995 14.488 -8.118 835 HB2 LEU 112 1HB LEU 112 3.276 11.622 -7.381 836 HB3 LEU 112 2HB LEU 112 4.425 12.007 -8.646 837 HG LEU 112 HG LEU 112 4.783 13.107 -5.828 838 HD11 LEU 112 1HD1 LEU 112 6.581 11.040 -5.977 839 HD12 LEU 112 2HD1 LEU 112 5.153 10.328 -6.753 840 HD13 LEU 112 3HD1 LEU 112 5.040 10.995 -5.126 841 HD21 LEU 112 3HD2 LEU 112 6.061 14.236 -7.499 842 HD22 LEU 112 1HD2 LEU 112 6.666 12.709 -8.145 843 HD23 LEU 112 2HD2 LEU 112 7.139 13.251 -6.512 844 H GLU 113 H GLU 113 1.199 12.220 -8.377 845 HA GLU 113 HA GLU 113 1.124 12.400 -11.222 846 HB2 GLU 113 1HB GLU 113 -0.964 11.160 -11.044 847 HB3 GLU 113 2HB GLU 113 0.321 10.469 -10.055 848 HG2 GLU 113 1HG GLU 113 -0.752 11.690 -8.050 849 HG3 GLU 113 2HG GLU 113 -2.098 12.086 -9.122 850 H GLY 114 H GLY 114 -0.519 13.301 -12.574 851 HA2 GLY 114 1HA GLY 114 -1.174 16.075 -11.726 852 HA3 GLY 114 2HA GLY 114 -0.806 15.493 -13.373 Start of MODEL 3 1 H1 MET 1 H MET 1 -21.332 -12.415 9.859 2 HA MET 1 HA MET 1 -23.147 -11.239 8.714 3 HB2 MET 1 1HB MET 1 -25.371 -11.254 9.704 4 HB3 MET 1 2HB MET 1 -24.898 -12.811 9.050 5 HG2 MET 1 1HG MET 1 -24.149 -13.092 11.701 6 HG3 MET 1 2HG MET 1 -25.497 -11.978 11.820 7 HE1 MET 1 3HE MET 1 -25.576 -16.249 10.065 8 HE2 MET 1 1HE MET 1 -24.553 -14.921 9.458 9 HE3 MET 1 2HE MET 1 -24.275 -15.596 11.076 10 H GLY 2 H GLY 2 -23.441 -8.992 9.379 11 HA2 GLY 2 1HA GLY 2 -23.133 -7.201 10.819 12 HA3 GLY 2 2HA GLY 2 -22.821 -8.294 12.171 13 H ALA 3 H ALA 3 -21.370 -7.919 8.898 14 HA ALA 3 HA ALA 3 -18.812 -7.061 9.917 15 HB1 ALA 3 1HB ALA 3 -17.544 -8.958 8.934 16 HB2 ALA 3 2HB ALA 3 -18.561 -9.453 10.290 17 HB3 ALA 3 3HB ALA 3 -19.077 -9.807 8.622 18 H GLY 4 H GLY 4 -17.290 -6.724 8.012 19 HA2 GLY 4 1HA GLY 4 -18.773 -5.982 5.532 20 HA3 GLY 4 2HA GLY 4 -17.636 -4.913 6.360 21 H GLN 5 H GLN 5 -16.137 -4.817 4.601 22 HA GLN 5 HA GLN 5 -14.452 -7.170 4.234 23 HB2 GLN 5 1HB GLN 5 -15.523 -5.642 1.841 24 HB3 GLN 5 2HB GLN 5 -14.383 -6.992 1.836 25 HG2 GLN 5 1HG GLN 5 -16.245 -8.427 2.780 26 HG3 GLN 5 2HG GLN 5 -17.351 -7.063 2.525 27 HE21 GLN 5 1HE2 GLN 5 -16.548 -6.074 -0.009 28 HE22 GLN 5 2HE2 GLN 5 -16.961 -7.317 -1.171 29 H THR 6 H THR 6 -12.794 -6.170 5.218 30 HA THR 6 HA THR 6 -11.611 -3.833 3.864 31 HB THR 6 HB THR 6 -10.847 -3.011 6.131 32 HG1 THR 6 1HG THR 6 -12.216 -3.721 7.888 33 HG21 THR 6 3HG2 THR 6 -12.896 -2.121 4.888 34 HG22 THR 6 1HG2 THR 6 -12.900 -1.861 6.632 35 HG23 THR 6 2HG2 THR 6 -13.890 -3.154 5.927 36 HA PRO 7 HA PRO 7 -8.301 -6.739 3.785 37 HB2 PRO 7 1HB PRO 7 -6.143 -5.323 3.179 38 HB3 PRO 7 2HB PRO 7 -7.530 -5.408 2.055 39 HG2 PRO 7 1HG PRO 7 -6.915 -3.192 4.051 40 HG3 PRO 7 2HG PRO 7 -7.303 -3.035 2.311 41 HD2 PRO 7 1HD PRO 7 -9.230 -2.818 4.270 42 HD3 PRO 7 2HD PRO 7 -9.525 -3.523 2.647 43 H HIS 8 H HIS 8 -8.794 -7.005 6.110 44 HA HIS 8 HA HIS 8 -8.056 -7.693 8.085 45 HB2 HIS 8 1HB HIS 8 -5.665 -7.540 6.860 46 HB3 HIS 8 2HB HIS 8 -5.436 -6.201 7.967 47 HD1 HIS 8 1HD HIS 8 -4.142 -7.094 10.014 48 HD2 HIS 8 2HD HIS 8 -6.803 -9.871 8.306 49 HE1 HIS 8 1HE HIS 8 -4.168 -9.100 11.574 50 HA PRO 9 HA PRO 9 -8.988 -3.953 10.434 51 HB2 PRO 9 1HB PRO 9 -9.305 -4.953 12.944 52 HB3 PRO 9 2HB PRO 9 -10.453 -5.315 11.617 53 HG2 PRO 9 1HG PRO 9 -8.125 -7.023 12.572 54 HG3 PRO 9 2HG PRO 9 -9.825 -7.528 12.298 55 HD2 PRO 9 1HD PRO 9 -7.850 -7.880 10.449 56 HD3 PRO 9 2HD PRO 9 -9.531 -7.504 9.965 57 H GLN 10 H GLN 10 -6.223 -6.037 11.326 58 HA GLN 10 HA GLN 10 -5.036 -4.046 13.106 59 HB2 GLN 10 1HB GLN 10 -3.986 -6.556 11.802 60 HB3 GLN 10 2HB GLN 10 -2.906 -5.482 12.624 61 HG2 GLN 10 1HG GLN 10 -5.364 -6.632 14.003 62 HG3 GLN 10 2HG GLN 10 -3.815 -7.485 13.939 63 HE21 GLN 10 1HE2 GLN 10 -1.811 -5.957 14.548 64 HE22 GLN 10 2HE2 GLN 10 -2.073 -4.886 15.895 65 H LEU 11 H LEU 11 -5.241 -4.317 9.633 66 HA LEU 11 HA LEU 11 -2.907 -2.760 8.943 67 HB2 LEU 11 1HB LEU 11 -4.046 -4.099 7.283 68 HB3 LEU 11 2HB LEU 11 -5.588 -3.339 7.622 69 HG LEU 11 HG LEU 11 -3.497 -1.400 6.802 70 HD11 LEU 11 1HD1 LEU 11 -3.567 -2.032 4.414 71 HD12 LEU 11 2HD1 LEU 11 -4.452 -3.512 4.850 72 HD13 LEU 11 3HD1 LEU 11 -2.782 -3.267 5.406 73 HD21 LEU 11 3HD2 LEU 11 -6.338 -1.945 5.892 74 HD22 LEU 11 1HD2 LEU 11 -5.313 -0.633 5.276 75 HD23 LEU 11 2HD2 LEU 11 -5.786 -0.655 6.974 76 H ILE 12 H ILE 12 -2.652 -0.735 9.767 77 HA ILE 12 HA ILE 12 -5.078 0.933 10.367 78 HB ILE 12 HB ILE 12 -2.134 1.278 11.118 79 HG12 ILE 12 1HG1 ILE 12 -2.960 -0.471 12.473 80 HG13 ILE 12 2HG1 ILE 12 -3.003 0.969 13.474 81 HG21 ILE 12 1HG2 ILE 12 -2.944 3.120 12.605 82 HG22 ILE 12 2HG2 ILE 12 -3.106 3.471 10.889 83 HG23 ILE 12 3HG2 ILE 12 -4.542 3.008 11.820 84 HD11 ILE 12 3HD1 ILE 12 -5.021 -0.115 13.940 85 HD12 ILE 12 1HD1 ILE 12 -5.520 1.146 12.808 86 HD13 ILE 12 2HD1 ILE 12 -5.333 -0.529 12.249 87 H TRP 13 H TRP 13 -5.718 2.250 8.783 88 HA TRP 13 HA TRP 13 -4.144 2.676 6.407 89 HB2 TRP 13 1HB TRP 13 -6.548 4.196 7.432 90 HB3 TRP 13 2HB TRP 13 -5.897 4.295 5.828 91 HD1 TRP 13 HD TRP 13 -8.249 2.306 7.925 92 HE1 TRP 13 1HE TRP 13 -9.366 0.459 6.526 93 HE3 TRP 13 3HE TRP 13 -5.445 2.685 3.651 94 HZ2 TRP 13 2HZ TRP 13 -8.967 -0.799 4.007 95 HZ3 TRP 13 3HZ TRP 13 -5.831 1.100 1.778 96 HH2 TRP 13 HH TRP 13 -7.522 -0.689 1.978 97 HA PRO 14 HA PRO 14 -4.140 4.686 4.833 98 HB2 PRO 14 1HB PRO 14 -1.719 5.431 3.788 99 HB3 PRO 14 2HB PRO 14 -3.061 6.544 4.088 100 HG2 PRO 14 1HG PRO 14 -0.612 6.147 5.716 101 HG3 PRO 14 2HG PRO 14 -1.526 7.651 5.412 102 HD2 PRO 14 1HD PRO 14 -1.791 6.222 7.728 103 HD3 PRO 14 2HD PRO 14 -3.143 7.136 7.000 104 H ALA 15 H ALA 15 -3.116 3.446 3.016 105 HA ALA 15 HA ALA 15 -1.127 1.454 3.911 106 HB1 ALA 15 1HB ALA 15 -3.708 0.763 2.433 107 HB2 ALA 15 2HB ALA 15 -2.464 -0.374 2.938 108 HB3 ALA 15 3HB ALA 15 -3.432 0.459 4.169 109 H LEU 16 H LEU 16 -0.314 0.206 2.052 110 HA LEU 16 HA LEU 16 -0.186 1.702 -0.516 111 HB2 LEU 16 1HB LEU 16 2.049 1.091 1.412 112 HB3 LEU 16 2HB LEU 16 2.403 1.023 -0.294 113 HG LEU 16 HG LEU 16 1.072 3.460 0.923 114 HD11 LEU 16 1HD1 LEU 16 4.062 2.972 0.554 115 HD12 LEU 16 2HD1 LEU 16 3.203 3.103 2.104 116 HD13 LEU 16 3HD1 LEU 16 3.302 4.516 1.038 117 HD21 LEU 16 3HD2 LEU 16 2.813 3.380 -1.528 118 HD22 LEU 16 1HD2 LEU 16 1.696 4.639 -0.998 119 HD23 LEU 16 2HD2 LEU 16 1.059 3.102 -1.609 120 H LEU 17 H LEU 17 -1.264 0.210 -1.664 121 HA LEU 17 HA LEU 17 -0.577 -2.648 -1.546 122 HB2 LEU 17 1HB LEU 17 -2.915 -1.759 -2.113 123 HB3 LEU 17 2HB LEU 17 -2.208 -1.101 -3.577 124 HG LEU 17 HG LEU 17 -1.539 -3.498 -4.217 125 HD11 LEU 17 1HD1 LEU 17 -1.793 -4.594 -2.052 126 HD12 LEU 17 2HD1 LEU 17 -2.995 -5.250 -3.171 127 HD13 LEU 17 3HD1 LEU 17 -3.500 -4.082 -1.949 128 HD21 LEU 17 3HD2 LEU 17 -4.504 -2.831 -3.957 129 HD22 LEU 17 1HD2 LEU 17 -3.770 -3.982 -5.097 130 HD23 LEU 17 2HD2 LEU 17 -3.418 -2.254 -5.238 131 H LYS 18 H LYS 18 0.768 -3.693 -3.129 132 HA LYS 18 HA LYS 18 1.787 -2.062 -5.353 133 HB2 LYS 18 1HB LYS 18 3.352 -1.979 -3.150 134 HB3 LYS 18 2HB LYS 18 3.915 -3.495 -3.823 135 HG2 LYS 18 1HG LYS 18 3.818 -0.906 -5.409 136 HG3 LYS 18 2HG LYS 18 5.216 -1.452 -4.472 137 HD2 LYS 18 1HD LYS 18 4.030 -2.659 -6.971 138 HD3 LYS 18 2HD LYS 18 5.649 -2.030 -6.692 139 HE2 LYS 18 1HE LYS 18 4.462 -4.652 -5.739 140 HE3 LYS 18 2HE LYS 18 5.776 -4.370 -6.855 141 HZ1 LYS 18 3HZ LYS 18 5.870 -3.904 -3.925 142 HZ2 LYS 18 1HZ LYS 18 7.126 -3.562 -4.973 143 HZ3 LYS 18 2HZ LYS 18 6.620 -5.081 -4.778 144 H GLN 19 H GLN 19 0.828 -3.372 -6.803 145 HA GLN 19 HA GLN 19 0.221 -6.025 -6.343 146 HB2 GLN 19 1HB GLN 19 0.611 -4.597 -9.010 147 HB3 GLN 19 2HB GLN 19 -0.109 -6.184 -8.810 148 HG2 GLN 19 1HG GLN 19 -1.739 -4.936 -7.127 149 HG3 GLN 19 2HG GLN 19 -1.224 -3.496 -8.040 150 HE21 GLN 19 1HE2 GLN 19 -2.941 -6.547 -8.145 151 HE22 GLN 19 2HE2 GLN 19 -3.706 -6.289 -9.672 152 H GLN 20 H GLN 20 0.872 -7.968 -7.333 153 HA GLN 20 HA GLN 20 3.719 -8.316 -7.346 154 HB2 GLN 20 1HB GLN 20 1.686 -9.981 -6.730 155 HB3 GLN 20 2HB GLN 20 1.854 -10.437 -8.434 156 HG2 GLN 20 1HG GLN 20 4.257 -10.885 -8.052 157 HG3 GLN 20 2HG GLN 20 4.101 -10.265 -6.394 158 HE21 GLN 20 1HE2 GLN 20 4.909 -12.252 -5.422 159 HE22 GLN 20 2HE2 GLN 20 3.786 -13.605 -5.338 160 H GLY 21 H GLY 21 5.027 -7.940 -8.954 161 HA2 GLY 21 1HA GLY 21 5.843 -8.355 -11.132 162 HA3 GLY 21 2HA GLY 21 4.201 -8.297 -11.791 163 H CYS 22 H CYS 22 3.264 -5.954 -10.524 164 HA CYS 22 HA CYS 22 4.571 -3.939 -12.191 165 HB2 CYS 22 1HB CYS 22 2.177 -3.963 -10.319 166 HB3 CYS 22 2HB CYS 22 2.693 -2.500 -11.120 167 HG CYS 22 HG CYS 22 0.645 -3.526 -12.365 168 H ASN 23 H ASN 23 4.740 -1.717 -11.135 169 HA ASN 23 HA ASN 23 6.450 -1.912 -8.698 170 HB2 ASN 23 1HB ASN 23 6.872 -0.040 -11.064 171 HB3 ASN 23 2HB ASN 23 7.972 -0.306 -9.766 172 HD21 ASN 23 1HD2 ASN 23 7.271 -1.357 -12.941 173 HD22 ASN 23 2HD2 ASN 23 8.117 -2.885 -12.847 174 H GLU 24 H GLU 24 3.891 -0.272 -10.433 175 HA GLU 24 HA GLU 24 3.984 2.291 -9.278 176 HB2 GLU 24 1HB GLU 24 2.718 1.572 -11.323 177 HB3 GLU 24 2HB GLU 24 1.656 0.623 -10.291 178 HG2 GLU 24 1HG GLU 24 1.477 3.113 -9.090 179 HG3 GLU 24 2HG GLU 24 1.857 3.577 -10.737 180 H LEU 25 H LEU 25 3.593 2.886 -7.127 181 HA LEU 25 HA LEU 25 2.364 0.970 -5.294 182 HB2 LEU 25 1HB LEU 25 3.606 3.719 -5.125 183 HB3 LEU 25 2HB LEU 25 2.402 3.318 -3.928 184 HG LEU 25 HG LEU 25 4.558 2.858 -3.059 185 HD11 LEU 25 1HD1 LEU 25 2.598 1.362 -2.471 186 HD12 LEU 25 2HD1 LEU 25 4.207 0.672 -2.155 187 HD13 LEU 25 3HD1 LEU 25 3.251 0.179 -3.557 188 HD21 LEU 25 3HD2 LEU 25 5.997 2.402 -4.854 189 HD22 LEU 25 1HD2 LEU 25 5.022 1.037 -5.426 190 HD23 LEU 25 2HD2 LEU 25 5.927 0.909 -3.914 191 H LEU 26 H LEU 26 0.380 1.195 -4.292 192 HA LEU 26 HA LEU 26 -1.502 3.088 -5.548 193 HB2 LEU 26 1HB LEU 26 -1.803 0.334 -5.364 194 HB3 LEU 26 2HB LEU 26 -2.765 0.936 -4.024 195 HG LEU 26 HG LEU 26 -4.245 0.783 -5.768 196 HD11 LEU 26 1HD1 LEU 26 -5.064 3.020 -6.120 197 HD12 LEU 26 2HD1 LEU 26 -3.479 3.735 -5.890 198 HD13 LEU 26 3HD1 LEU 26 -4.322 2.965 -4.520 199 HD21 LEU 26 3HD2 LEU 26 -3.804 1.798 -8.050 200 HD22 LEU 26 1HD2 LEU 26 -2.794 0.419 -7.616 201 HD23 LEU 26 2HD2 LEU 26 -2.127 2.054 -7.536 202 HA PRO 27 HA PRO 27 -0.987 4.625 -1.223 203 HB2 PRO 27 1HB PRO 27 -1.565 7.262 -1.767 204 HB3 PRO 27 2HB PRO 27 0.064 6.565 -2.021 205 HG2 PRO 27 1HG PRO 27 -2.134 7.011 -4.068 206 HG3 PRO 27 2HG PRO 27 -0.403 7.402 -4.213 207 HD2 PRO 27 1HD PRO 27 -1.515 5.126 -5.246 208 HD3 PRO 27 2HD PRO 27 0.158 5.154 -4.624 209 H LEU 28 H LEU 28 -2.736 4.472 0.129 210 HA LEU 28 HA LEU 28 -5.473 5.149 -0.868 211 HB2 LEU 28 1HB LEU 28 -4.498 2.709 0.646 212 HB3 LEU 28 2HB LEU 28 -6.193 3.114 0.451 213 HG LEU 28 HG LEU 28 -4.556 2.887 -2.086 214 HD11 LEU 28 1HD1 LEU 28 -3.727 0.960 -0.925 215 HD12 LEU 28 2HD1 LEU 28 -4.888 0.455 -2.178 216 HD13 LEU 28 3HD1 LEU 28 -5.381 0.461 -0.471 217 HD21 LEU 28 3HD2 LEU 28 -6.625 1.891 -2.947 218 HD22 LEU 28 1HD2 LEU 28 -6.944 3.443 -2.173 219 HD23 LEU 28 2HD2 LEU 28 -7.344 1.935 -1.325 220 H ARG 29 H ARG 29 -5.812 7.032 0.347 221 HA ARG 29 HA ARG 29 -4.301 7.463 2.733 222 HB2 ARG 29 1HB ARG 29 -6.780 9.090 2.363 223 HB3 ARG 29 2HB ARG 29 -5.256 9.510 3.045 224 HG2 ARG 29 1HG ARG 29 -4.692 10.565 1.205 225 HG3 ARG 29 2HG ARG 29 -4.663 9.055 0.295 226 HD2 ARG 29 1HD ARG 29 -6.913 9.328 -0.442 227 HD3 ARG 29 2HD ARG 29 -7.267 10.518 0.809 228 HE ARG 29 HE ARG 29 -6.168 12.218 -0.331 229 HH11 ARG 29 1HH1 ARG 29 -6.011 9.289 -2.400 230 HH12 ARG 29 2HH1 ARG 29 -6.681 10.164 -3.753 231 HH21 ARG 29 1HH2 ARG 29 -6.547 13.326 -2.180 232 HH22 ARG 29 2HH2 ARG 29 -6.443 12.556 -3.744 233 H THR 30 H THR 30 -7.654 6.328 2.250 234 HA THR 30 HA THR 30 -7.534 5.075 4.824 235 HB THR 30 HB THR 30 -8.397 7.381 5.331 236 HG1 THR 30 1HG THR 30 -9.519 6.633 6.865 237 HG21 THR 30 3HG2 THR 30 -9.977 7.592 3.363 238 HG22 THR 30 1HG2 THR 30 -10.656 7.994 4.950 239 HG23 THR 30 2HG2 THR 30 -11.040 6.441 4.200 240 H ASN 31 H ASN 31 -9.816 4.095 5.189 241 HA ASN 31 HA ASN 31 -9.925 1.986 3.355 242 HB2 ASN 31 1HB ASN 31 -10.813 2.381 5.883 243 HB3 ASN 31 2HB ASN 31 -12.353 2.529 5.056 244 HD21 ASN 31 1HD2 ASN 31 -12.075 0.687 2.921 245 HD22 ASN 31 2HD2 ASN 31 -11.876 -0.927 3.617 246 H ASP 32 H ASP 32 -11.797 4.986 3.371 247 HA ASP 32 HA ASP 32 -13.968 4.165 1.673 248 HB2 ASP 32 1HB ASP 32 -14.144 6.263 2.787 249 HB3 ASP 32 2HB ASP 32 -12.602 6.826 2.140 250 H ASP 33 H ASP 33 -10.649 5.235 0.936 251 HA ASP 33 HA ASP 33 -10.912 5.440 -1.905 252 HB2 ASP 33 1HB ASP 33 -9.073 6.308 -0.299 253 HB3 ASP 33 2HB ASP 33 -8.417 4.688 -0.284 254 H TRP 34 H TRP 34 -9.838 2.764 0.256 255 HA TRP 34 HA TRP 34 -9.421 0.800 -1.778 256 HB2 TRP 34 1HB TRP 34 -8.601 0.500 0.436 257 HB3 TRP 34 2HB TRP 34 -10.204 0.563 1.150 258 HD1 TRP 34 HD TRP 34 -11.841 -1.597 0.686 259 HE1 TRP 34 1HE TRP 34 -11.299 -4.063 0.321 260 HE3 TRP 34 3HE TRP 34 -6.927 -1.149 -0.680 261 HZ2 TRP 34 2HZ TRP 34 -9.004 -5.654 -0.381 262 HZ3 TRP 34 3HZ TRP 34 -5.587 -3.159 -1.194 263 HH2 TRP 34 HH TRP 34 -6.602 -5.416 -1.039 264 H GLN 35 H GLN 35 -12.363 1.597 0.135 265 HA GLN 35 HA GLN 35 -13.970 -0.523 -0.939 266 HB2 GLN 35 1HB GLN 35 -14.726 2.170 0.267 267 HB3 GLN 35 2HB GLN 35 -15.873 0.870 -0.029 268 HG2 GLN 35 1HG GLN 35 -13.426 0.289 1.628 269 HG3 GLN 35 2HG GLN 35 -14.729 1.241 2.309 270 HE21 GLN 35 1HE2 GLN 35 -14.675 -0.708 3.859 271 HE22 GLN 35 2HE2 GLN 35 -15.341 -2.235 3.309 272 H ARG 36 H ARG 36 -13.288 2.731 -2.048 273 HA ARG 36 HA ARG 36 -15.090 2.532 -4.388 274 HB2 ARG 36 1HB ARG 36 -12.926 4.465 -3.499 275 HB3 ARG 36 2HB ARG 36 -13.525 4.526 -5.156 276 HG2 ARG 36 1HG ARG 36 -15.572 5.294 -4.571 277 HG3 ARG 36 2HG ARG 36 -15.684 4.277 -3.153 278 HD2 ARG 36 1HD ARG 36 -15.691 6.376 -2.230 279 HD3 ARG 36 2HD ARG 36 -13.989 5.982 -2.073 280 HE ARG 36 HE ARG 36 -15.326 7.764 -4.046 281 HH11 ARG 36 1HH1 ARG 36 -12.321 6.851 -2.435 282 HH12 ARG 36 2HH1 ARG 36 -11.340 8.007 -3.320 283 HH21 ARG 36 1HH2 ARG 36 -14.133 9.519 -4.906 284 HH22 ARG 36 2HH2 ARG 36 -12.435 9.625 -4.713 285 H PHE 37 H PHE 37 -11.651 1.804 -3.803 286 HA PHE 37 HA PHE 37 -10.936 1.433 -6.509 287 HB2 PHE 37 1HB PHE 37 -9.411 1.688 -4.459 288 HB3 PHE 37 2HB PHE 37 -9.743 0.015 -4.066 289 HD1 PHE 37 2HD PHE 37 -9.089 -1.814 -5.841 290 HD2 PHE 37 1HD PHE 37 -7.698 2.281 -5.918 291 HE1 PHE 37 2HE PHE 37 -7.301 -2.444 -7.453 292 HE2 PHE 37 1HE PHE 37 -5.955 1.627 -7.557 293 HZ PHE 37 HZ PHE 37 -5.715 -0.707 -8.260 294 H CYS 38 H CYS 38 -11.670 -1.083 -4.007 295 HA CYS 38 HA CYS 38 -11.600 -3.138 -5.992 296 HB2 CYS 38 1HB CYS 38 -12.184 -4.626 -4.140 297 HB3 CYS 38 2HB CYS 38 -10.999 -3.420 -3.612 298 HG CYS 38 HG CYS 38 -12.587 -3.891 -1.666 299 H ALA 39 H ALA 39 -14.123 -1.060 -4.931 300 HA ALA 39 HA ALA 39 -16.438 -2.619 -5.710 301 HB1 ALA 39 1HB ALA 39 -15.961 0.398 -5.452 302 HB2 ALA 39 2HB ALA 39 -17.504 -0.317 -5.950 303 HB3 ALA 39 3HB ALA 39 -16.841 -0.695 -4.357 304 H ASP 40 H ASP 40 -14.521 -0.051 -7.353 305 HA ASP 40 HA ASP 40 -15.736 -0.620 -9.897 306 HB2 ASP 40 1HB ASP 40 -14.566 1.591 -8.887 307 HB3 ASP 40 2HB ASP 40 -13.170 0.931 -9.696 308 H SER 41 H SER 41 -13.738 -2.472 -8.233 309 HA SER 41 HA SER 41 -12.142 -4.001 -8.426 310 HB2 SER 41 1HB SER 41 -12.550 -3.826 -11.444 311 HB3 SER 41 2HB SER 41 -11.539 -5.004 -10.576 312 HG SER 41 HG SER 41 -13.605 -5.849 -10.968 313 H LYS 42 H LYS 42 -11.668 -1.447 -10.792 314 HA LYS 42 HA LYS 42 -10.051 -0.094 -11.437 315 HB2 LYS 42 1HB LYS 42 -9.251 -0.621 -8.651 316 HB3 LYS 42 2HB LYS 42 -7.953 -0.073 -9.699 317 HG2 LYS 42 1HG LYS 42 -10.514 1.486 -9.835 318 HG3 LYS 42 2HG LYS 42 -9.648 1.528 -8.309 319 HD2 LYS 42 1HD LYS 42 -8.877 3.370 -9.541 320 HD3 LYS 42 2HD LYS 42 -7.557 2.213 -9.467 321 HE2 LYS 42 1HE LYS 42 -8.015 1.505 -11.788 322 HE3 LYS 42 2HE LYS 42 -9.433 2.567 -11.849 323 HZ1 LYS 42 3HZ LYS 42 -6.672 3.544 -11.424 324 HZ2 LYS 42 1HZ LYS 42 -8.019 4.463 -11.588 325 HZ3 LYS 42 2HZ LYS 42 -7.453 3.582 -12.858 326 H HIS 43 H HIS 43 -8.724 -3.269 -10.264 327 HA HIS 43 HA HIS 43 -7.569 -3.670 -12.840 328 HB2 HIS 43 1HB HIS 43 -5.421 -4.036 -11.919 329 HB3 HIS 43 2HB HIS 43 -5.896 -2.357 -11.668 330 HD1 HIS 43 1HD HIS 43 -3.993 -2.090 -9.892 331 HD2 HIS 43 2HD HIS 43 -6.860 -5.052 -9.117 332 HE1 HIS 43 1HE HIS 43 -3.702 -2.728 -7.432 333 H LEU 44 H LEU 44 -6.289 -5.847 -12.612 334 HA LEU 44 HA LEU 44 -7.839 -8.077 -11.646 335 HB2 LEU 44 1HB LEU 44 -6.036 -7.790 -13.557 336 HB3 LEU 44 2HB LEU 44 -4.910 -8.082 -12.221 337 HG LEU 44 HG LEU 44 -7.160 -9.869 -13.255 338 HD11 LEU 44 1HD1 LEU 44 -5.260 -11.317 -13.735 339 HD12 LEU 44 2HD1 LEU 44 -4.148 -10.151 -12.952 340 HD13 LEU 44 3HD1 LEU 44 -5.016 -9.709 -14.445 341 HD21 LEU 44 3HD2 LEU 44 -7.262 -10.269 -10.883 342 HD22 LEU 44 1HD2 LEU 44 -5.490 -10.237 -10.741 343 HD23 LEU 44 2HD2 LEU 44 -6.309 -11.577 -11.573 344 H LEU 45 H LEU 45 -7.942 -8.608 -9.453 345 HA LEU 45 HA LEU 45 -5.773 -7.624 -7.679 346 HB2 LEU 45 1HB LEU 45 -8.523 -8.844 -7.166 347 HB3 LEU 45 2HB LEU 45 -7.368 -8.531 -5.886 348 HG LEU 45 HG LEU 45 -8.188 -6.302 -7.802 349 HD11 LEU 45 1HD1 LEU 45 -9.583 -7.068 -5.195 350 HD12 LEU 45 2HD1 LEU 45 -10.271 -7.180 -6.831 351 HD13 LEU 45 3HD1 LEU 45 -9.881 -5.592 -6.146 352 HD21 LEU 45 3HD2 LEU 45 -7.446 -4.852 -5.989 353 HD22 LEU 45 1HD2 LEU 45 -6.168 -6.032 -6.256 354 HD23 LEU 45 2HD2 LEU 45 -7.249 -6.232 -4.874 355 H GLN 46 H GLN 46 -4.145 -8.985 -7.228 356 HA GLN 46 HA GLN 46 -4.421 -11.839 -8.075 357 HB2 GLN 46 1HB GLN 46 -1.942 -10.127 -7.879 358 HB3 GLN 46 2HB GLN 46 -2.020 -11.780 -8.474 359 HG2 GLN 46 1HG GLN 46 -3.282 -11.151 -10.409 360 HG3 GLN 46 2HG GLN 46 -3.595 -9.531 -9.784 361 HE21 GLN 46 1HE2 GLN 46 -1.255 -8.431 -9.037 362 HE22 GLN 46 2HE2 GLN 46 -0.140 -8.479 -10.407 363 H TYR 47 H TYR 47 -3.617 -13.436 -6.783 364 HA TYR 47 HA TYR 47 -3.090 -13.095 -3.955 365 HB2 TYR 47 1HB TYR 47 -2.115 -15.314 -5.781 366 HB3 TYR 47 2HB TYR 47 -2.347 -15.385 -4.031 367 HD1 TYR 47 2HD TYR 47 -5.028 -14.254 -3.601 368 HD2 TYR 47 1HD TYR 47 -3.636 -16.875 -6.739 369 HE1 TYR 47 2HE TYR 47 -7.340 -14.975 -4.009 370 HE2 TYR 47 1HE TYR 47 -5.955 -17.647 -7.113 371 HH TYR 47 HH TYR 47 -8.176 -17.493 -6.428 372 H GLY 48 H GLY 48 -1.236 -12.689 -2.930 373 HA2 GLY 48 1HA GLY 48 1.041 -12.176 -2.718 374 HA3 GLY 48 2HA GLY 48 1.264 -12.363 -4.443 375 H ASP 49 H ASP 49 -1.329 -10.176 -4.060 376 HA ASP 49 HA ASP 49 0.188 -8.129 -5.228 377 HB2 ASP 49 1HB ASP 49 -2.616 -8.519 -4.313 378 HB3 ASP 49 2HB ASP 49 -2.102 -6.879 -4.341 379 H LYS 50 H LYS 50 0.223 -8.791 -2.107 380 HA LYS 50 HA LYS 50 0.951 -7.932 -0.152 381 HB2 LYS 50 1HB LYS 50 2.908 -7.818 -1.943 382 HB3 LYS 50 2HB LYS 50 2.722 -6.079 -1.743 383 HG2 LYS 50 1HG LYS 50 3.210 -6.190 0.614 384 HG3 LYS 50 2HG LYS 50 3.213 -7.957 0.601 385 HD2 LYS 50 1HD LYS 50 5.104 -6.347 -1.151 386 HD3 LYS 50 2HD LYS 50 5.500 -6.693 0.525 387 HE2 LYS 50 1HE LYS 50 4.804 -8.874 -1.493 388 HE3 LYS 50 2HE LYS 50 6.464 -8.287 -1.234 389 HZ1 LYS 50 3HZ LYS 50 6.123 -10.195 0.044 390 HZ2 LYS 50 1HZ LYS 50 4.699 -9.653 0.661 391 HZ3 LYS 50 2HZ LYS 50 6.138 -8.946 1.127 392 H LEU 51 H LEU 51 0.122 -6.616 1.273 393 HA LEU 51 HA LEU 51 -0.212 -3.734 0.605 394 HB2 LEU 51 1HB LEU 51 -1.803 -5.625 2.328 395 HB3 LEU 51 2HB LEU 51 -1.657 -3.998 2.933 396 HG LEU 51 HG LEU 51 -2.677 -4.722 0.147 397 HD11 LEU 51 1HD1 LEU 51 -4.935 -4.515 1.028 398 HD12 LEU 51 2HD1 LEU 51 -4.298 -4.127 2.642 399 HD13 LEU 51 3HD1 LEU 51 -4.059 -5.739 1.952 400 HD21 LEU 51 3HD2 LEU 51 -3.801 -2.509 0.232 401 HD22 LEU 51 1HD2 LEU 51 -2.037 -2.321 0.391 402 HD23 LEU 51 2HD2 LEU 51 -3.102 -2.204 1.820 403 H VAL 52 H VAL 52 0.335 -2.265 2.322 404 HA VAL 52 HA VAL 52 1.754 -3.221 4.658 405 HB VAL 52 HB VAL 52 2.873 -1.102 2.771 406 HG11 VAL 52 1HG1 VAL 52 4.732 -0.899 4.388 407 HG12 VAL 52 2HG1 VAL 52 3.224 -0.421 5.130 408 HG13 VAL 52 3HG1 VAL 52 3.903 -2.019 5.505 409 HG21 VAL 52 3HG2 VAL 52 4.052 -3.752 3.723 410 HG22 VAL 52 1HG2 VAL 52 3.459 -3.421 2.074 411 HG23 VAL 52 2HG2 VAL 52 4.861 -2.561 2.687 412 H ASP 53 H ASP 53 1.391 -1.611 6.390 413 HA ASP 53 HA ASP 53 -0.722 0.384 5.866 414 HB2 ASP 53 1HB ASP 53 -1.805 -0.324 7.765 415 HB3 ASP 53 2HB ASP 53 -1.281 -1.831 7.064 416 H SER 54 H SER 54 -0.826 1.778 8.050 417 HA SER 54 HA SER 54 1.573 3.354 8.158 418 HB2 SER 54 1HB SER 54 -1.132 3.765 8.689 419 HB3 SER 54 2HB SER 54 -0.399 3.868 10.285 420 HG SER 54 HG SER 54 1.089 5.464 9.258 421 H ASN 55 H ASN 55 1.252 0.398 9.577 422 HA ASN 55 HA ASN 55 2.999 1.085 11.871 423 HB2 ASN 55 1HB ASN 55 0.561 -0.691 11.791 424 HB3 ASN 55 2HB ASN 55 1.902 -1.149 12.812 425 HD21 ASN 55 1HD2 ASN 55 -0.858 0.679 12.749 426 HD22 ASN 55 2HD2 ASN 55 -0.549 1.760 14.097 427 H PHE 56 H PHE 56 3.177 0.036 8.869 428 HA PHE 56 HA PHE 56 4.743 -1.143 7.728 429 HB2 PHE 56 1HB PHE 56 6.108 -1.193 10.468 430 HB3 PHE 56 2HB PHE 56 6.802 -1.919 9.065 431 HD1 PHE 56 1HD PHE 56 5.360 1.427 10.125 432 HD2 PHE 56 2HD PHE 56 8.325 -0.696 7.813 433 HE1 PHE 56 1HE PHE 56 6.317 3.568 9.382 434 HE2 PHE 56 2HE PHE 56 9.279 1.453 7.068 435 HZ PHE 56 HZ PHE 56 8.259 3.606 7.816 436 H HIS 57 H HIS 57 2.369 -2.498 9.150 437 HA HIS 57 HA HIS 57 3.177 -5.304 9.377 438 HB2 HIS 57 1HB HIS 57 0.483 -4.004 8.953 439 HB3 HIS 57 2HB HIS 57 0.802 -5.691 9.374 440 HD1 HIS 57 1HD HIS 57 -0.570 -2.969 11.062 441 HD2 HIS 57 2HD HIS 57 2.947 -5.214 11.734 442 HE1 HIS 57 1HE HIS 57 -0.209 -2.997 13.599 443 H CYS 58 H CYS 58 4.065 -6.230 7.471 444 HA CYS 58 HA CYS 58 2.935 -5.566 4.848 445 HB2 CYS 58 1HB CYS 58 4.394 -8.082 5.694 446 HB3 CYS 58 2HB CYS 58 4.095 -7.543 4.043 447 HG CYS 58 HG CYS 58 6.170 -6.559 6.357 448 H PHE 59 H PHE 59 1.435 -6.853 3.739 449 HA PHE 59 HA PHE 59 0.297 -9.242 5.058 450 HB2 PHE 59 1HB PHE 59 -1.270 -6.984 3.778 451 HB3 PHE 59 2HB PHE 59 -1.973 -8.490 4.298 452 HD1 PHE 59 1HD PHE 59 -1.835 -9.116 6.789 453 HD2 PHE 59 2HD PHE 59 -1.021 -5.152 5.300 454 HE1 PHE 59 1HE PHE 59 -2.055 -8.231 9.058 455 HE2 PHE 59 2HE PHE 59 -1.288 -4.243 7.573 456 HZ PHE 59 HZ PHE 59 -1.699 -5.752 9.488 457 H VAL 60 H VAL 60 -0.773 -10.580 3.438 458 HA VAL 60 HA VAL 60 0.020 -10.382 0.614 459 HB VAL 60 HB VAL 60 0.564 -12.614 2.619 460 HG11 VAL 60 1HG1 VAL 60 1.239 -14.073 0.699 461 HG12 VAL 60 2HG1 VAL 60 -0.498 -13.780 0.756 462 HG13 VAL 60 3HG1 VAL 60 0.503 -12.913 -0.424 463 HG21 VAL 60 3HG2 VAL 60 2.817 -12.481 1.925 464 HG22 VAL 60 1HG2 VAL 60 2.410 -11.652 0.425 465 HG23 VAL 60 2HG2 VAL 60 2.324 -10.767 1.935 466 H LEU 61 H LEU 61 -1.626 -11.108 -0.684 467 HA LEU 61 HA LEU 61 -4.225 -11.864 0.543 468 HB2 LEU 61 1HB LEU 61 -4.051 -10.156 -1.410 469 HB3 LEU 61 2HB LEU 61 -3.415 -11.455 -2.391 470 HG LEU 61 HG LEU 61 -5.582 -12.776 -1.802 471 HD11 LEU 61 1HD1 LEU 61 -7.545 -11.401 -1.272 472 HD12 LEU 61 2HD1 LEU 61 -6.514 -9.970 -1.100 473 HD13 LEU 61 3HD1 LEU 61 -6.369 -11.323 0.044 474 HD21 LEU 61 3HD2 LEU 61 -5.846 -10.281 -3.502 475 HD22 LEU 61 1HD2 LEU 61 -6.838 -11.755 -3.588 476 HD23 LEU 61 2HD2 LEU 61 -5.139 -11.831 -4.014 477 H GLU 62 H GLU 62 -4.888 -13.969 0.488 478 HA GLU 62 HA GLU 62 -3.204 -15.967 -0.943 479 HB2 GLU 62 1HB GLU 62 -4.939 -16.267 1.556 480 HB3 GLU 62 2HB GLU 62 -4.082 -17.576 0.731 481 HG2 GLU 62 1HG GLU 62 -1.944 -16.165 1.058 482 HG3 GLU 62 2HG GLU 62 -2.883 -15.213 2.220 483 H GLU 63 H GLU 63 -4.534 -18.007 -1.438 484 HA GLU 63 HA GLU 63 -6.595 -17.521 -3.305 485 HB2 GLU 63 1HB GLU 63 -5.615 -19.957 -1.819 486 HB3 GLU 63 2HB GLU 63 -6.948 -20.084 -2.973 487 HG2 GLU 63 1HG GLU 63 -5.637 -19.505 -4.821 488 HG3 GLU 63 2HG GLU 63 -4.398 -18.729 -3.843 489 H ASP 64 H ASP 64 -6.815 -17.727 0.117 490 HA ASP 64 HA ASP 64 -9.663 -18.373 0.271 491 HB2 ASP 64 1HB ASP 64 -7.697 -18.569 2.068 492 HB3 ASP 64 2HB ASP 64 -8.140 -16.891 2.394 493 H ALA 65 H ALA 65 -7.938 -15.687 -0.747 494 HA ALA 65 HA ALA 65 -8.201 -13.571 -1.121 495 HB1 ALA 65 1HB ALA 65 -10.379 -12.634 -1.615 496 HB2 ALA 65 2HB ALA 65 -10.251 -14.281 -2.256 497 HB3 ALA 65 3HB ALA 65 -11.187 -13.974 -0.771 498 H HIS 66 H HIS 66 -8.328 -14.641 1.893 499 HA HIS 66 HA HIS 66 -8.882 -12.029 3.170 500 HB2 HIS 66 1HB HIS 66 -8.091 -13.047 5.233 501 HB3 HIS 66 2HB HIS 66 -9.460 -13.880 4.558 502 HD1 HIS 66 1HD HIS 66 -9.166 -16.496 4.842 503 HD2 HIS 66 2HD HIS 66 -5.638 -14.349 4.017 504 HE1 HIS 66 1HE HIS 66 -7.287 -18.132 5.131 505 H TRP 67 H TRP 67 -7.174 -10.967 4.378 506 HA TRP 67 HA TRP 67 -4.615 -10.940 2.863 507 HB2 TRP 67 1HB TRP 67 -6.222 -8.826 4.304 508 HB3 TRP 67 2HB TRP 67 -4.489 -8.649 4.088 509 HD1 TRP 67 HD TRP 67 -7.727 -8.437 2.105 510 HE1 TRP 67 1HE TRP 67 -7.208 -7.550 -0.267 511 HE3 TRP 67 3HE TRP 67 -2.658 -8.838 2.180 512 HZ2 TRP 67 2HZ TRP 67 -4.865 -6.978 -1.870 513 HZ3 TRP 67 3HZ TRP 67 -1.291 -8.172 0.221 514 HH2 TRP 67 HH TRP 67 -2.397 -7.206 -1.808 515 H HIS 68 H HIS 68 -3.500 -12.520 3.906 516 HA HIS 68 HA HIS 68 -3.486 -12.747 6.845 517 HB2 HIS 68 1HB HIS 68 -2.884 -14.486 4.554 518 HB3 HIS 68 2HB HIS 68 -1.541 -14.462 5.652 519 HD1 HIS 68 1HD HIS 68 -4.295 -14.197 8.044 520 HD2 HIS 68 2HD HIS 68 -2.689 -17.149 5.500 521 HE1 HIS 68 1HE HIS 68 -5.041 -16.430 8.959 522 HA PRO 69 HA PRO 69 0.074 -10.367 7.486 523 HB2 PRO 69 1HB PRO 69 1.533 -11.627 9.426 524 HB3 PRO 69 2HB PRO 69 -0.095 -10.947 9.723 525 HG2 PRO 69 1HG PRO 69 0.636 -13.825 9.070 526 HG3 PRO 69 2HG PRO 69 -0.419 -13.226 10.397 527 HD2 PRO 69 1HD PRO 69 -1.410 -14.129 8.032 528 HD3 PRO 69 2HD PRO 69 -2.171 -12.776 8.908 529 H ALA 70 H ALA 70 2.368 -10.129 7.208 530 HA ALA 70 HA ALA 70 3.881 -12.356 6.007 531 HB1 ALA 70 1HB ALA 70 3.247 -9.761 4.519 532 HB2 ALA 70 2HB ALA 70 4.264 -11.098 3.926 533 HB3 ALA 70 3HB ALA 70 2.533 -11.345 4.186 534 H ALA 71 H ALA 71 4.388 -11.325 8.461 535 HA ALA 71 HA ALA 71 5.922 -10.480 9.816 536 HB1 ALA 71 1HB ALA 71 8.208 -10.162 9.076 537 HB2 ALA 71 2HB ALA 71 7.527 -11.538 8.202 538 HB3 ALA 71 3HB ALA 71 7.704 -9.953 7.406 539 HA PRO 72 HA PRO 72 5.554 -5.979 9.535 540 HB2 PRO 72 1HB PRO 72 7.485 -5.000 11.124 541 HB3 PRO 72 2HB PRO 72 6.088 -5.883 11.819 542 HG2 PRO 72 1HG PRO 72 8.822 -7.028 11.117 543 HG3 PRO 72 2HG PRO 72 7.956 -7.149 12.691 544 HD2 PRO 72 1HD PRO 72 7.804 -9.124 10.852 545 HD3 PRO 72 2HD PRO 72 6.359 -8.632 11.776 546 H LEU 73 H LEU 73 7.247 -4.111 9.188 547 HA LEU 73 HA LEU 73 9.161 -4.894 7.046 548 HB2 LEU 73 1HB LEU 73 6.862 -4.250 6.364 549 HB3 LEU 73 2HB LEU 73 7.081 -2.685 7.052 550 HG LEU 73 HG LEU 73 9.043 -3.620 4.947 551 HD11 LEU 73 1HD1 LEU 73 7.477 -2.386 3.282 552 HD12 LEU 73 2HD1 LEU 73 6.220 -2.621 4.504 553 HD13 LEU 73 3HD1 LEU 73 6.981 -4.038 3.745 554 HD21 LEU 73 3HD2 LEU 73 9.450 -1.682 6.120 555 HD22 LEU 73 1HD2 LEU 73 7.825 -0.985 5.741 556 HD23 LEU 73 2HD2 LEU 73 8.986 -1.264 4.466 557 HA PRO 74 HA PRO 74 11.854 -2.455 9.533 558 HB2 PRO 74 1HB PRO 74 14.050 -2.194 7.913 559 HB3 PRO 74 2HB PRO 74 13.519 -3.752 8.578 560 HG2 PRO 74 1HG PRO 74 13.026 -2.667 5.819 561 HG3 PRO 74 2HG PRO 74 13.535 -4.313 6.296 562 HD2 PRO 74 1HD PRO 74 10.935 -3.596 5.748 563 HD3 PRO 74 2HD PRO 74 11.344 -4.909 6.870 564 HA PRO 75 HA PRO 75 11.353 1.818 8.565 565 HB2 PRO 75 1HB PRO 75 13.748 3.078 9.178 566 HB3 PRO 75 2HB PRO 75 12.546 2.508 10.380 567 HG2 PRO 75 1HG PRO 75 15.022 1.071 9.416 568 HG3 PRO 75 2HG PRO 75 14.477 1.323 11.091 569 HD2 PRO 75 1HD PRO 75 13.998 -1.007 9.819 570 HD3 PRO 75 2HD PRO 75 12.726 -0.271 10.854 571 H GLU 76 H GLU 76 14.083 0.181 7.035 572 HA GLU 76 HA GLU 76 14.374 2.162 4.896 573 HB2 GLU 76 1HB GLU 76 16.081 0.591 4.055 574 HB3 GLU 76 2HB GLU 76 16.342 0.980 5.761 575 HG2 GLU 76 1HG GLU 76 15.455 -1.125 6.504 576 HG3 GLU 76 2HG GLU 76 14.938 -1.528 4.866 577 H GLY 77 H GLY 77 12.341 -0.662 5.509 578 HA2 GLY 77 1HA GLY 77 12.294 -1.645 2.834 579 HA3 GLY 77 2HA GLY 77 11.165 -2.019 4.129 580 H LEU 78 H LEU 78 10.610 0.925 4.516 581 HA LEU 78 HA LEU 78 8.328 1.206 2.801 582 HB2 LEU 78 1HB LEU 78 8.304 2.260 4.955 583 HB3 LEU 78 2HB LEU 78 9.830 3.098 4.656 584 HG LEU 78 HG LEU 78 8.755 4.522 2.957 585 HD11 LEU 78 1HD1 LEU 78 6.268 4.568 2.754 586 HD12 LEU 78 2HD1 LEU 78 6.171 3.093 3.751 587 HD13 LEU 78 3HD1 LEU 78 6.945 3.041 2.150 588 HD21 LEU 78 3HD2 LEU 78 7.398 5.872 4.493 589 HD22 LEU 78 1HD2 LEU 78 8.844 5.249 5.311 590 HD23 LEU 78 2HD2 LEU 78 7.259 4.492 5.607 591 H ASN 79 H ASN 79 11.548 2.852 2.911 592 HA ASN 79 HA ASN 79 11.380 4.265 0.500 593 HB2 ASN 79 1HB ASN 79 13.913 2.933 1.504 594 HB3 ASN 79 2HB ASN 79 13.750 4.428 0.585 595 HD21 ASN 79 1HD2 ASN 79 13.657 6.418 1.858 596 HD22 ASN 79 2HD2 ASN 79 13.595 6.336 3.599 597 H ASP 80 H ASP 80 12.303 0.843 1.145 598 HA ASP 80 HA ASP 80 13.044 0.199 -1.530 599 HB2 ASP 80 1HB ASP 80 13.439 -1.136 0.661 600 HB3 ASP 80 2HB ASP 80 11.850 -1.844 0.357 601 H LEU 81 H LEU 81 9.791 0.146 0.058 602 HA LEU 81 HA LEU 81 8.362 -0.898 -2.199 603 HB2 LEU 81 1HB LEU 81 7.749 0.499 0.351 604 HB3 LEU 81 2HB LEU 81 6.707 1.007 -0.967 605 HG LEU 81 HG LEU 81 6.027 -1.305 -1.396 606 HD11 LEU 81 1HD1 LEU 81 7.807 -1.892 1.003 607 HD12 LEU 81 2HD1 LEU 81 7.973 -2.595 -0.615 608 HD13 LEU 81 3HD1 LEU 81 6.586 -3.029 0.415 609 HD21 LEU 81 3HD2 LEU 81 4.831 0.215 0.195 610 HD22 LEU 81 1HD2 LEU 81 5.815 -0.437 1.518 611 HD23 LEU 81 2HD2 LEU 81 4.664 -1.485 0.638 612 H ILE 82 H ILE 82 8.812 2.492 -1.089 613 HA ILE 82 HA ILE 82 7.506 3.586 -3.345 614 HB ILE 82 HB ILE 82 9.485 4.879 -1.426 615 HG12 ILE 82 1HG1 ILE 82 7.616 4.096 -0.139 616 HG13 ILE 82 2HG1 ILE 82 7.444 5.814 -0.345 617 HG21 ILE 82 1HG2 ILE 82 8.254 7.015 -2.104 618 HG22 ILE 82 2HG2 ILE 82 9.383 6.334 -3.278 619 HG23 ILE 82 3HG2 ILE 82 7.634 6.114 -3.498 620 HD11 ILE 82 3HD1 ILE 82 5.813 5.201 -2.324 621 HD12 ILE 82 1HD1 ILE 82 5.839 3.593 -1.552 622 HD13 ILE 82 2HD1 ILE 82 5.272 5.000 -0.646 623 H ARG 83 H ARG 83 10.872 2.653 -2.954 624 HA ARG 83 HA ARG 83 12.183 3.757 -5.110 625 HB2 ARG 83 1HB ARG 83 12.312 1.344 -3.480 626 HB3 ARG 83 2HB ARG 83 12.665 0.889 -5.108 627 HG2 ARG 83 1HG ARG 83 14.125 3.287 -4.002 628 HG3 ARG 83 2HG ARG 83 14.455 1.711 -3.287 629 HD2 ARG 83 1HD ARG 83 14.753 0.883 -5.759 630 HD3 ARG 83 2HD ARG 83 14.942 2.607 -6.134 631 HE ARG 83 HE ARG 83 16.504 1.493 -3.894 632 HH11 ARG 83 1HH1 ARG 83 16.580 2.059 -7.422 633 HH12 ARG 83 2HH1 ARG 83 18.280 1.890 -7.541 634 HH21 ARG 83 1HH2 ARG 83 18.752 1.645 -3.999 635 HH22 ARG 83 2HH2 ARG 83 19.590 1.690 -5.500 636 H ALA 84 H ALA 84 9.699 1.164 -5.245 637 HA ALA 84 HA ALA 84 10.187 0.544 -7.984 638 HB1 ALA 84 1HB ALA 84 9.133 -0.973 -6.299 639 HB2 ALA 84 2HB ALA 84 7.678 0.052 -6.322 640 HB3 ALA 84 3HB ALA 84 8.193 -0.833 -7.776 641 H HIS 85 H HIS 85 7.468 2.357 -6.563 642 HA HIS 85 HA HIS 85 6.401 3.447 -8.903 643 HB2 HIS 85 1HB HIS 85 5.269 3.566 -6.788 644 HB3 HIS 85 2HB HIS 85 6.580 4.459 -6.037 645 HD1 HIS 85 1HD HIS 85 3.265 5.172 -7.833 646 HD2 HIS 85 2HD HIS 85 6.879 7.083 -6.694 647 HE1 HIS 85 1HE HIS 85 2.795 7.607 -7.772 648 H CYS 86 H CYS 86 9.047 4.772 -6.822 649 HA CYS 86 HA CYS 86 9.320 7.167 -8.399 650 HB2 CYS 86 1HB CYS 86 11.232 5.779 -6.474 651 HB3 CYS 86 2HB CYS 86 11.648 7.279 -7.320 652 HG CYS 86 HG CYS 86 11.013 7.964 -4.960 653 H ALA 87 H ALA 87 10.893 3.943 -8.663 654 HA ALA 87 HA ALA 87 12.748 4.889 -10.666 655 HB1 ALA 87 1HB ALA 87 13.265 2.964 -9.176 656 HB2 ALA 87 2HB ALA 87 11.915 2.046 -9.903 657 HB3 ALA 87 3HB ALA 87 13.320 2.493 -10.880 658 H THR 88 H THR 88 9.386 3.864 -10.844 659 HA THR 88 HA THR 88 9.764 3.342 -13.719 660 HB THR 88 HB THR 88 8.374 1.873 -12.282 661 HG1 THR 88 1HG THR 88 8.177 2.536 -14.730 662 HG21 THR 88 3HG2 THR 88 7.070 3.472 -11.005 663 HG22 THR 88 1HG2 THR 88 6.002 2.424 -11.922 664 HG23 THR 88 2HG2 THR 88 6.294 4.081 -12.479 665 H LEU 89 H LEU 89 8.554 5.924 -11.572 666 HA LEU 89 HA LEU 89 7.812 7.553 -13.926 667 HB2 LEU 89 1HB LEU 89 7.726 8.174 -10.960 668 HB3 LEU 89 2HB LEU 89 7.019 9.150 -12.265 669 HG LEU 89 HG LEU 89 6.157 6.345 -11.440 670 HD11 LEU 89 1HD1 LEU 89 5.485 8.065 -9.845 671 HD12 LEU 89 2HD1 LEU 89 4.073 7.452 -10.732 672 HD13 LEU 89 3HD1 LEU 89 4.779 9.031 -11.157 673 HD21 LEU 89 3HD2 LEU 89 4.253 6.704 -13.000 674 HD22 LEU 89 1HD2 LEU 89 5.789 6.614 -13.861 675 HD23 LEU 89 2HD2 LEU 89 5.010 8.194 -13.587 676 H GLY 90 H GLY 90 10.657 7.061 -12.094 677 HA2 GLY 90 1HA GLY 90 12.722 7.970 -12.319 678 HA3 GLY 90 2HA GLY 90 12.119 9.128 -13.508 679 H HIS 91 H HIS 91 10.830 8.728 -10.219 680 HA HIS 91 HA HIS 91 11.210 11.619 -9.770 681 HB2 HIS 91 1HB HIS 91 9.794 9.505 -8.137 682 HB3 HIS 91 2HB HIS 91 9.887 11.207 -7.697 683 HD1 HIS 91 1HD HIS 91 9.298 12.484 -10.664 684 HD2 HIS 91 2HD HIS 91 7.177 9.447 -8.625 685 HE1 HIS 91 1HE HIS 91 6.958 12.495 -11.595 686 H CYS 92 H CYS 92 11.881 12.311 -7.497 687 HA CYS 92 HA CYS 92 14.464 10.990 -6.768 688 HB2 CYS 92 1HB CYS 92 13.537 13.885 -6.515 689 HB3 CYS 92 2HB CYS 92 15.102 13.258 -5.961 690 HG CYS 92 HG CYS 92 13.888 13.282 -9.058 691 H CYS 93 H CYS 93 15.091 11.204 -4.442 692 HA CYS 93 HA CYS 93 12.791 10.626 -2.757 693 HB2 CYS 93 1HB CYS 93 14.353 9.947 -1.112 694 HB3 CYS 93 2HB CYS 93 14.908 9.274 -2.649 695 HG CYS 93 HG CYS 93 16.786 10.136 -0.834 696 H THR 94 H THR 94 13.812 13.576 -3.630 697 HA THR 94 HA THR 94 13.609 15.627 -2.770 698 HB THR 94 HB THR 94 11.721 16.042 -1.372 699 HG1 THR 94 1HG THR 94 12.250 13.493 -0.457 700 HG21 THR 94 3HG2 THR 94 9.974 14.828 -2.528 701 HG22 THR 94 1HG2 THR 94 11.092 13.533 -3.009 702 HG23 THR 94 2HG2 THR 94 11.261 15.156 -3.689 703 H SER 95 H SER 95 13.282 16.573 -0.083 704 HA SER 95 HA SER 95 15.859 15.805 1.187 705 HB2 SER 95 1HB SER 95 13.970 18.127 1.750 706 HB3 SER 95 2HB SER 95 15.534 17.826 2.538 707 HG SER 95 HG SER 95 15.100 18.260 -0.250 708 H LYS 96 H LYS 96 15.219 16.014 3.875 709 HA LYS 96 HA LYS 96 14.290 14.915 5.603 710 HB2 LYS 96 1HB LYS 96 12.213 16.094 4.509 711 HB3 LYS 96 2HB LYS 96 11.754 14.470 4.030 712 HG2 LYS 96 1HG LYS 96 11.784 13.802 6.495 713 HG3 LYS 96 2HG LYS 96 12.199 15.485 6.874 714 HD2 LYS 96 1HD LYS 96 9.821 15.232 7.129 715 HD3 LYS 96 2HD LYS 96 10.082 16.190 5.661 716 HE2 LYS 96 1HE LYS 96 10.108 13.356 4.977 717 HE3 LYS 96 2HE LYS 96 8.704 13.694 6.005 718 HZ1 LYS 96 3HZ LYS 96 8.105 15.481 4.448 719 HZ2 LYS 96 1HZ LYS 96 8.003 14.000 3.853 720 HZ3 LYS 96 2HZ LYS 96 9.253 14.934 3.375 721 H MET 97 H MET 97 15.739 13.375 3.517 722 HA MET 97 HA MET 97 16.159 11.238 2.818 723 HB2 MET 97 1HB MET 97 16.839 11.487 5.255 724 HB3 MET 97 2HB MET 97 15.421 10.532 5.684 725 HG2 MET 97 1HG MET 97 17.735 9.684 3.896 726 HG3 MET 97 2HG MET 97 17.554 9.257 5.583 727 HE1 MET 97 3HE MET 97 14.586 8.290 5.960 728 HE2 MET 97 1HE MET 97 14.729 6.565 5.564 729 HE3 MET 97 2HE MET 97 16.000 7.361 6.508 730 H HIS 98 H HIS 98 14.196 11.366 1.390 731 HA HIS 98 HA HIS 98 12.315 10.585 0.467 732 HB2 HIS 98 1HB HIS 98 12.666 8.230 2.335 733 HB3 HIS 98 2HB HIS 98 11.316 8.393 1.275 734 HD1 HIS 98 1HD HIS 98 15.169 8.070 0.823 735 HD2 HIS 98 2HD HIS 98 11.413 7.532 -1.023 736 HE1 HIS 98 1HE HIS 98 15.606 6.742 -1.300 737 H LEU 99 H LEU 99 11.625 9.493 3.816 738 HA LEU 99 HA LEU 99 9.143 11.159 3.771 739 HB2 LEU 99 1HB LEU 99 9.348 8.109 3.700 740 HB3 LEU 99 2HB LEU 99 7.865 8.997 4.032 741 HG LEU 99 HG LEU 99 9.414 9.165 1.391 742 HD11 LEU 99 1HD1 LEU 99 7.415 7.853 0.579 743 HD12 LEU 99 2HD1 LEU 99 7.089 7.493 2.298 744 HD13 LEU 99 3HD1 LEU 99 8.608 6.982 1.561 745 HD21 LEU 99 3HD2 LEU 99 7.304 10.230 0.578 746 HD22 LEU 99 1HD2 LEU 99 8.162 11.212 1.755 747 HD23 LEU 99 2HD2 LEU 99 6.746 10.316 2.268 748 H HIS 100 H HIS 100 8.433 11.594 5.822 749 HA HIS 100 HA HIS 100 10.099 10.840 8.039 750 HB2 HIS 100 1HB HIS 100 9.016 12.997 8.048 751 HB3 HIS 100 2HB HIS 100 7.418 12.264 7.870 752 HD1 HIS 100 1HD HIS 100 6.164 11.735 10.080 753 HD2 HIS 100 2HD HIS 100 10.321 12.324 10.512 754 HE1 HIS 100 1HE HIS 100 6.635 11.715 12.587 755 H SER 101 H SER 101 6.996 9.725 6.778 756 HA SER 101 HA SER 101 7.197 7.191 8.008 757 HB2 SER 101 1HB SER 101 6.360 8.680 9.968 758 HB3 SER 101 2HB SER 101 4.854 8.765 9.048 759 HG SER 101 HG SER 101 6.187 6.417 9.979 760 H VAL 102 H VAL 102 4.716 6.246 7.794 761 HA VAL 102 HA VAL 102 4.340 5.924 5.014 762 HB VAL 102 HB VAL 102 2.552 5.255 7.388 763 HG11 VAL 102 1HG1 VAL 102 1.527 3.545 5.890 764 HG12 VAL 102 2HG1 VAL 102 1.243 5.166 5.287 765 HG13 VAL 102 3HG1 VAL 102 2.520 4.173 4.555 766 HG21 VAL 102 3HG2 VAL 102 4.661 3.629 5.897 767 HG22 VAL 102 1HG2 VAL 102 4.765 4.194 7.580 768 HG23 VAL 102 2HG2 VAL 102 3.576 2.978 7.137 769 H MET 103 H MET 103 2.594 8.027 7.350 770 HA MET 103 HA MET 103 0.491 8.824 5.619 771 HB2 MET 103 1HB MET 103 0.352 9.447 7.901 772 HB3 MET 103 2HB MET 103 1.927 10.256 7.891 773 HG2 MET 103 1HG MET 103 1.155 12.126 6.757 774 HG3 MET 103 2HG MET 103 -0.187 11.277 5.999 775 HE1 MET 103 3HE MET 103 -3.010 11.218 8.402 776 HE2 MET 103 1HE MET 103 -2.539 11.328 6.692 777 HE3 MET 103 2HE MET 103 -1.969 9.973 7.692 778 H ASP 104 H ASP 104 3.716 10.189 6.094 779 HA ASP 104 HA ASP 104 3.637 12.419 4.442 780 HB2 ASP 104 1HB ASP 104 5.416 11.426 6.118 781 HB3 ASP 104 2HB ASP 104 6.093 10.656 4.691 782 H ALA 105 H ALA 105 4.418 9.075 3.700 783 HA ALA 105 HA ALA 105 5.194 9.233 1.007 784 HB1 ALA 105 1HB ALA 105 4.853 6.893 0.920 785 HB2 ALA 105 2HB ALA 105 5.018 7.154 2.683 786 HB3 ALA 105 3HB ALA 105 3.427 6.951 1.967 787 H ILE 106 H ILE 106 1.895 8.923 2.320 788 HA ILE 106 HA ILE 106 0.607 8.577 -0.210 789 HB ILE 106 HB ILE 106 -0.416 9.719 2.415 790 HG12 ILE 106 1HG1 ILE 106 0.500 7.460 2.702 791 HG13 ILE 106 2HG1 ILE 106 -1.209 7.544 2.964 792 HG21 ILE 106 1HG2 ILE 106 -2.070 8.628 0.108 793 HG22 ILE 106 2HG2 ILE 106 -2.656 9.058 1.737 794 HG23 ILE 106 3HG2 ILE 106 -2.010 10.301 0.673 795 HD11 ILE 106 3HD1 ILE 106 0.145 6.459 0.457 796 HD12 ILE 106 1HD1 ILE 106 -0.593 5.511 1.748 797 HD13 ILE 106 2HD1 ILE 106 -1.620 6.515 0.734 798 H ASP 107 H ASP 107 1.446 11.498 1.724 799 HA ASP 107 HA ASP 107 0.074 13.355 -0.022 800 HB2 ASP 107 1HB ASP 107 1.756 13.520 2.335 801 HB3 ASP 107 2HB ASP 107 1.865 14.909 1.249 802 H PHE 108 H PHE 108 3.381 12.020 0.194 803 HA PHE 108 HA PHE 108 4.588 13.700 -1.748 804 HB2 PHE 108 1HB PHE 108 5.902 12.223 -0.255 805 HB3 PHE 108 2HB PHE 108 5.214 10.813 -1.010 806 HD1 PHE 108 2HD PHE 108 6.791 13.992 -2.371 807 HD2 PHE 108 1HD PHE 108 6.724 9.672 -2.383 808 HE1 PHE 108 2HE PHE 108 8.488 13.958 -4.160 809 HE2 PHE 108 1HE PHE 108 8.459 9.659 -4.142 810 HZ PHE 108 HZ PHE 108 9.348 11.799 -5.041 811 H LEU 109 H LEU 109 3.454 10.263 -2.298 812 HA LEU 109 HA LEU 109 3.468 10.229 -5.024 813 HB2 LEU 109 1HB LEU 109 1.671 8.899 -2.952 814 HB3 LEU 109 2HB LEU 109 1.506 8.627 -4.690 815 HG LEU 109 HG LEU 109 3.957 8.008 -4.748 816 HD11 LEU 109 1HD1 LEU 109 3.794 7.414 -1.826 817 HD12 LEU 109 2HD1 LEU 109 4.689 8.787 -2.535 818 HD13 LEU 109 3HD1 LEU 109 5.122 7.146 -2.987 819 HD21 LEU 109 3HD2 LEU 109 3.479 5.686 -3.997 820 HD22 LEU 109 1HD2 LEU 109 2.121 6.356 -4.911 821 HD23 LEU 109 2HD2 LEU 109 2.037 6.277 -3.130 822 H ASN 110 H ASN 110 0.709 11.383 -2.996 823 HA ASN 110 HA ASN 110 -0.917 11.909 -5.325 824 HB2 ASN 110 1HB ASN 110 -1.101 12.806 -2.423 825 HB3 ASN 110 2HB ASN 110 -2.142 13.506 -3.655 826 HD21 ASN 110 1HD2 ASN 110 -1.344 10.445 -2.037 827 HD22 ASN 110 2HD2 ASN 110 -2.858 9.640 -2.498 828 H ALA 111 H ALA 111 1.597 13.863 -3.762 829 HA ALA 111 HA ALA 111 0.738 16.308 -5.143 830 HB1 ALA 111 1HB ALA 111 3.308 15.629 -3.629 831 HB2 ALA 111 2HB ALA 111 2.862 17.222 -4.269 832 HB3 ALA 111 3HB ALA 111 1.899 16.495 -2.973 833 H LEU 112 H LEU 112 2.835 13.514 -5.788 834 HA LEU 112 HA LEU 112 4.475 14.764 -7.787 835 HB2 LEU 112 1HB LEU 112 3.664 11.867 -7.314 836 HB3 LEU 112 2HB LEU 112 4.726 12.357 -8.617 837 HG LEU 112 HG LEU 112 5.375 12.968 -5.703 838 HD11 LEU 112 1HD1 LEU 112 5.644 10.442 -7.265 839 HD12 LEU 112 2HD1 LEU 112 5.515 10.703 -5.522 840 HD13 LEU 112 3HD1 LEU 112 7.065 10.935 -6.335 841 HD21 LEU 112 3HD2 LEU 112 6.565 14.357 -7.267 842 HD22 LEU 112 1HD2 LEU 112 7.020 12.962 -8.252 843 HD23 LEU 112 2HD2 LEU 112 7.684 13.163 -6.613 844 H GLU 113 H GLU 113 1.635 12.556 -8.186 845 HA GLU 113 HA GLU 113 0.530 11.950 -9.961 846 HB2 GLU 113 1HB GLU 113 -0.450 14.161 -9.059 847 HB3 GLU 113 2HB GLU 113 0.147 14.851 -10.573 848 HG2 GLU 113 1HG GLU 113 -1.073 12.551 -11.453 849 HG3 GLU 113 2HG GLU 113 -2.018 12.816 -10.005 850 H GLY 114 H GLY 114 2.929 11.586 -10.493 851 HA2 GLY 114 1HA GLY 114 3.680 12.539 -13.150 852 HA3 GLY 114 2HA GLY 114 4.571 11.328 -12.204 Start of MODEL 4 1 H1 MET 1 H MET 1 -15.100 2.001 10.877 2 HA MET 1 HA MET 1 -15.907 3.743 9.324 3 HB2 MET 1 1HB MET 1 -13.626 4.548 8.855 4 HB3 MET 1 2HB MET 1 -13.345 3.143 7.824 5 HG2 MET 1 1HG MET 1 -15.215 3.793 6.379 6 HG3 MET 1 2HG MET 1 -15.551 5.190 7.411 7 HE1 MET 1 3HE MET 1 -14.229 7.432 7.367 8 HE2 MET 1 1HE MET 1 -12.954 6.511 8.178 9 HE3 MET 1 2HE MET 1 -12.559 7.562 6.799 10 H GLY 2 H GLY 2 -14.099 1.306 7.319 11 HA2 GLY 2 1HA GLY 2 -16.501 0.045 6.436 12 HA3 GLY 2 2HA GLY 2 -14.858 -0.591 6.282 13 H ALA 3 H ALA 3 -17.050 -2.276 6.855 14 HA ALA 3 HA ALA 3 -16.194 -3.406 9.439 15 HB1 ALA 3 1HB ALA 3 -18.556 -3.734 10.122 16 HB2 ALA 3 2HB ALA 3 -18.110 -2.018 10.051 17 HB3 ALA 3 3HB ALA 3 -19.095 -2.740 8.755 18 H GLY 4 H GLY 4 -15.396 -5.261 8.639 19 HA2 GLY 4 1HA GLY 4 -15.325 -7.303 7.517 20 HA3 GLY 4 2HA GLY 4 -16.920 -7.005 6.792 21 H GLN 5 H GLN 5 -14.672 -7.878 5.405 22 HA GLN 5 HA GLN 5 -13.696 -7.625 3.471 23 HB2 GLN 5 1HB GLN 5 -16.277 -6.859 3.166 24 HB3 GLN 5 2HB GLN 5 -15.482 -5.356 2.652 25 HG2 GLN 5 1HG GLN 5 -14.083 -6.757 1.088 26 HG3 GLN 5 2HG GLN 5 -14.981 -8.177 1.626 27 HE21 GLN 5 1HE2 GLN 5 -16.869 -5.180 1.197 28 HE22 GLN 5 2HE2 GLN 5 -17.540 -5.643 -0.337 29 H THR 6 H THR 6 -12.962 -5.550 5.622 30 HA THR 6 HA THR 6 -11.162 -3.789 4.081 31 HB THR 6 HB THR 6 -10.062 -3.609 6.366 32 HG1 THR 6 1HG THR 6 -10.952 -5.708 6.960 33 HG21 THR 6 3HG2 THR 6 -11.740 -1.917 5.805 34 HG22 THR 6 1HG2 THR 6 -11.859 -2.346 7.515 35 HG23 THR 6 2HG2 THR 6 -13.053 -2.983 6.363 36 HA PRO 7 HA PRO 7 -8.460 -7.267 3.593 37 HB2 PRO 7 1HB PRO 7 -6.128 -6.105 2.857 38 HB3 PRO 7 2HB PRO 7 -7.560 -6.157 1.801 39 HG2 PRO 7 1HG PRO 7 -6.640 -3.853 3.544 40 HG3 PRO 7 2HG PRO 7 -7.207 -3.807 1.847 41 HD2 PRO 7 1HD PRO 7 -8.803 -3.273 4.031 42 HD3 PRO 7 2HD PRO 7 -9.440 -3.955 2.502 43 H HIS 8 H HIS 8 -8.528 -7.988 5.733 44 HA HIS 8 HA HIS 8 -7.714 -8.714 7.646 45 HB2 HIS 8 1HB HIS 8 -5.365 -8.047 6.604 46 HB3 HIS 8 2HB HIS 8 -5.431 -6.750 7.774 47 HD1 HIS 8 1HD HIS 8 -4.109 -7.449 9.880 48 HD2 HIS 8 2HD HIS 8 -5.868 -10.654 7.817 49 HE1 HIS 8 1HE HIS 8 -3.497 -9.552 11.175 50 HA PRO 9 HA PRO 9 -9.400 -5.496 10.369 51 HB2 PRO 9 1HB PRO 9 -9.311 -6.757 12.796 52 HB3 PRO 9 2HB PRO 9 -10.478 -7.195 11.514 53 HG2 PRO 9 1HG PRO 9 -7.871 -8.558 12.219 54 HG3 PRO 9 2HG PRO 9 -9.455 -9.297 11.836 55 HD2 PRO 9 1HD PRO 9 -7.408 -9.029 10.024 56 HD3 PRO 9 2HD PRO 9 -9.130 -9.051 9.554 57 H GLN 10 H GLN 10 -6.326 -7.127 11.187 58 HA GLN 10 HA GLN 10 -5.463 -5.057 12.999 59 HB2 GLN 10 1HB GLN 10 -4.723 -7.773 12.251 60 HB3 GLN 10 2HB GLN 10 -3.279 -6.767 12.225 61 HG2 GLN 10 1HG GLN 10 -3.644 -7.867 14.380 62 HG3 GLN 10 2HG GLN 10 -3.680 -6.105 14.525 63 HE21 GLN 10 1HE2 GLN 10 -4.884 -6.230 16.515 64 HE22 GLN 10 2HE2 GLN 10 -6.623 -6.520 16.426 65 H LEU 11 H LEU 11 -5.544 -5.077 9.668 66 HA LEU 11 HA LEU 11 -3.196 -3.500 9.025 67 HB2 LEU 11 1HB LEU 11 -4.321 -4.717 7.275 68 HB3 LEU 11 2HB LEU 11 -5.895 -4.118 7.755 69 HG LEU 11 HG LEU 11 -4.084 -1.925 7.078 70 HD11 LEU 11 1HD1 LEU 11 -4.705 -3.839 4.813 71 HD12 LEU 11 2HD1 LEU 11 -3.099 -3.557 5.513 72 HD13 LEU 11 3HD1 LEU 11 -3.943 -2.244 4.686 73 HD21 LEU 11 3HD2 LEU 11 -5.985 -1.260 5.642 74 HD22 LEU 11 1HD2 LEU 11 -6.532 -1.676 7.274 75 HD23 LEU 11 2HD2 LEU 11 -6.763 -2.826 5.936 76 H ILE 12 H ILE 12 -2.991 -1.313 9.450 77 HA ILE 12 HA ILE 12 -5.379 0.160 10.527 78 HB ILE 12 HB ILE 12 -2.444 0.763 11.006 79 HG12 ILE 12 1HG1 ILE 12 -2.755 -1.301 12.178 80 HG13 ILE 12 2HG1 ILE 12 -2.720 0.018 13.310 81 HG21 ILE 12 1HG2 ILE 12 -3.901 2.713 11.188 82 HG22 ILE 12 2HG2 ILE 12 -4.995 1.843 12.288 83 HG23 ILE 12 3HG2 ILE 12 -3.334 2.240 12.776 84 HD11 ILE 12 3HD1 ILE 12 -5.277 -1.376 12.406 85 HD12 ILE 12 1HD1 ILE 12 -4.413 -1.656 13.923 86 HD13 ILE 12 2HD1 ILE 12 -5.149 -0.079 13.616 87 H TRP 13 H TRP 13 -6.186 1.549 9.018 88 HA TRP 13 HA TRP 13 -4.860 2.376 6.635 89 HB2 TRP 13 1HB TRP 13 -7.145 3.734 8.045 90 HB3 TRP 13 2HB TRP 13 -6.738 3.853 6.363 91 HD1 TRP 13 HD TRP 13 -8.633 1.583 8.725 92 HE1 TRP 13 1HE TRP 13 -9.723 -0.312 7.411 93 HE3 TRP 13 3HE TRP 13 -5.988 2.031 4.430 94 HZ2 TRP 13 2HZ TRP 13 -9.627 -1.361 4.695 95 HZ3 TRP 13 3HZ TRP 13 -6.475 0.530 2.446 96 HH2 TRP 13 HH TRP 13 -8.284 -1.152 2.600 97 HA PRO 14 HA PRO 14 -4.993 4.329 5.241 98 HB2 PRO 14 1HB PRO 14 -2.809 5.370 3.957 99 HB3 PRO 14 2HB PRO 14 -4.168 6.322 4.574 100 HG2 PRO 14 1HG PRO 14 -1.469 5.835 5.860 101 HG3 PRO 14 2HG PRO 14 -2.368 7.384 5.747 102 HD2 PRO 14 1HD PRO 14 -2.399 5.830 7.990 103 HD3 PRO 14 2HD PRO 14 -3.850 6.734 7.463 104 H ALA 15 H ALA 15 -3.816 3.418 3.088 105 HA ALA 15 HA ALA 15 -1.879 1.308 3.878 106 HB1 ALA 15 1HB ALA 15 -3.045 -0.369 2.724 107 HB2 ALA 15 2HB ALA 15 -4.279 0.404 3.701 108 HB3 ALA 15 3HB ALA 15 -4.177 0.785 1.974 109 H LEU 16 H LEU 16 -0.920 0.254 2.053 110 HA LEU 16 HA LEU 16 -0.616 1.780 -0.449 111 HB2 LEU 16 1HB LEU 16 1.515 1.060 1.592 112 HB3 LEU 16 2HB LEU 16 1.938 1.105 -0.115 113 HG LEU 16 HG LEU 16 0.622 3.465 1.281 114 HD11 LEU 16 1HD1 LEU 16 3.590 2.935 0.837 115 HD12 LEU 16 2HD1 LEU 16 2.755 2.951 2.403 116 HD13 LEU 16 3HD1 LEU 16 2.869 4.442 1.449 117 HD21 LEU 16 3HD2 LEU 16 1.313 4.712 -0.641 118 HD22 LEU 16 1HD2 LEU 16 0.615 3.220 -1.307 119 HD23 LEU 16 2HD2 LEU 16 2.366 3.406 -1.212 120 H LEU 17 H LEU 17 -1.544 0.268 -1.724 121 HA LEU 17 HA LEU 17 -0.954 -2.591 -1.464 122 HB2 LEU 17 1HB LEU 17 -3.088 -1.605 -2.506 123 HB3 LEU 17 2HB LEU 17 -2.052 -0.995 -3.793 124 HG LEU 17 HG LEU 17 -1.428 -3.397 -4.362 125 HD11 LEU 17 1HD1 LEU 17 -3.658 -3.923 -2.344 126 HD12 LEU 17 2HD1 LEU 17 -1.998 -4.577 -2.355 127 HD13 LEU 17 3HD1 LEU 17 -3.161 -5.075 -3.593 128 HD21 LEU 17 3HD2 LEU 17 -3.526 -3.800 -5.541 129 HD22 LEU 17 1HD2 LEU 17 -3.015 -2.118 -5.684 130 HD23 LEU 17 2HD2 LEU 17 -4.332 -2.549 -4.566 131 H LYS 18 H LYS 18 0.534 -3.781 -3.047 132 HA LYS 18 HA LYS 18 1.874 -2.017 -4.942 133 HB2 LYS 18 1HB LYS 18 3.217 -2.176 -2.640 134 HB3 LYS 18 2HB LYS 18 3.822 -3.684 -3.358 135 HG2 LYS 18 1HG LYS 18 3.721 -1.003 -4.725 136 HG3 LYS 18 2HG LYS 18 5.155 -1.572 -3.839 137 HD2 LYS 18 1HD LYS 18 3.943 -2.714 -6.390 138 HD3 LYS 18 2HD LYS 18 5.444 -1.844 -6.204 139 HE2 LYS 18 1HE LYS 18 4.995 -4.531 -4.871 140 HE3 LYS 18 2HE LYS 18 5.538 -4.372 -6.518 141 HZ1 LYS 18 3HZ LYS 18 7.317 -2.819 -5.428 142 HZ2 LYS 18 1HZ LYS 18 7.529 -4.437 -5.439 143 HZ3 LYS 18 2HZ LYS 18 6.958 -3.713 -4.076 144 H GLN 19 H GLN 19 0.728 -3.090 -6.414 145 HA GLN 19 HA GLN 19 0.275 -5.712 -6.918 146 HB2 GLN 19 1HB GLN 19 0.785 -3.260 -8.602 147 HB3 GLN 19 2HB GLN 19 0.769 -4.812 -9.432 148 HG2 GLN 19 1HG GLN 19 -1.495 -4.365 -7.544 149 HG3 GLN 19 2HG GLN 19 -1.436 -3.340 -8.935 150 HE21 GLN 19 1HE2 GLN 19 -2.337 -6.464 -7.912 151 HE22 GLN 19 2HE2 GLN 19 -2.958 -6.935 -9.458 152 H GLN 20 H GLN 20 1.489 -7.506 -7.403 153 HA GLN 20 HA GLN 20 4.233 -7.444 -7.056 154 HB2 GLN 20 1HB GLN 20 2.397 -9.145 -6.436 155 HB3 GLN 20 2HB GLN 20 2.405 -9.639 -8.129 156 HG2 GLN 20 1HG GLN 20 3.838 -11.105 -7.158 157 HG3 GLN 20 2HG GLN 20 4.978 -9.917 -7.783 158 HE21 GLN 20 1HE2 GLN 20 4.508 -11.883 -5.279 159 HE22 GLN 20 2HE2 GLN 20 5.247 -10.960 -3.963 160 H GLY 21 H GLY 21 5.163 -6.142 -8.731 161 HA2 GLY 21 1HA GLY 21 6.684 -6.739 -10.587 162 HA3 GLY 21 2HA GLY 21 5.301 -7.455 -11.417 163 H CYS 22 H CYS 22 3.667 -5.022 -10.143 164 HA CYS 22 HA CYS 22 3.996 -3.280 -12.462 165 HB2 CYS 22 1HB CYS 22 1.852 -3.708 -10.971 166 HB3 CYS 22 2HB CYS 22 2.541 -2.464 -9.924 167 HG CYS 22 HG CYS 22 1.882 -2.332 -13.189 168 H ASN 23 H ASN 23 5.103 -3.371 -9.121 169 HA ASN 23 HA ASN 23 6.645 -2.195 -7.960 170 HB2 ASN 23 1HB ASN 23 7.409 -0.458 -10.304 171 HB3 ASN 23 2HB ASN 23 8.302 -0.833 -8.888 172 HD21 ASN 23 1HD2 ASN 23 7.399 -1.741 -12.044 173 HD22 ASN 23 2HD2 ASN 23 8.493 -3.083 -12.211 174 H GLU 24 H GLU 24 4.206 -0.569 -9.842 175 HA GLU 24 HA GLU 24 4.182 1.956 -8.538 176 HB2 GLU 24 1HB GLU 24 3.056 1.184 -10.726 177 HB3 GLU 24 2HB GLU 24 1.948 0.237 -9.729 178 HG2 GLU 24 1HG GLU 24 1.334 2.495 -8.609 179 HG3 GLU 24 2HG GLU 24 2.212 3.248 -9.951 180 H LEU 25 H LEU 25 3.166 2.606 -6.695 181 HA LEU 25 HA LEU 25 2.026 0.576 -4.893 182 HB2 LEU 25 1HB LEU 25 3.151 3.367 -4.541 183 HB3 LEU 25 2HB LEU 25 2.202 2.578 -3.282 184 HG LEU 25 HG LEU 25 4.351 0.866 -4.372 185 HD11 LEU 25 1HD1 LEU 25 5.155 3.500 -3.788 186 HD12 LEU 25 2HD1 LEU 25 6.051 2.083 -4.334 187 HD13 LEU 25 3HD1 LEU 25 5.828 2.361 -2.589 188 HD21 LEU 25 3HD2 LEU 25 3.793 1.620 -1.487 189 HD22 LEU 25 1HD2 LEU 25 4.680 0.211 -2.085 190 HD23 LEU 25 2HD2 LEU 25 2.934 0.327 -2.347 191 H LEU 26 H LEU 26 0.064 0.963 -4.081 192 HA LEU 26 HA LEU 26 -1.597 3.067 -5.372 193 HB2 LEU 26 1HB LEU 26 -2.125 0.430 -5.651 194 HB3 LEU 26 2HB LEU 26 -3.160 0.837 -4.281 195 HG LEU 26 HG LEU 26 -4.422 1.084 -6.232 196 HD11 LEU 26 1HD1 LEU 26 -5.256 3.313 -6.118 197 HD12 LEU 26 2HD1 LEU 26 -3.721 3.958 -5.522 198 HD13 LEU 26 3HD1 LEU 26 -4.698 2.890 -4.497 199 HD21 LEU 26 3HD2 LEU 26 -3.882 2.490 -8.145 200 HD22 LEU 26 1HD2 LEU 26 -2.621 1.285 -7.902 201 HD23 LEU 26 2HD2 LEU 26 -2.334 2.965 -7.417 202 HA PRO 27 HA PRO 27 -1.489 4.348 -0.938 203 HB2 PRO 27 1HB PRO 27 -1.877 7.013 -1.369 204 HB3 PRO 27 2HB PRO 27 -0.276 6.256 -1.646 205 HG2 PRO 27 1HG PRO 27 -2.437 6.843 -3.688 206 HG3 PRO 27 2HG PRO 27 -0.712 7.275 -3.767 207 HD2 PRO 27 1HD PRO 27 -1.697 5.064 -4.975 208 HD3 PRO 27 2HD PRO 27 -0.082 5.029 -4.218 209 H LEU 28 H LEU 28 -3.277 4.386 0.316 210 HA LEU 28 HA LEU 28 -5.904 5.213 -0.846 211 HB2 LEU 28 1HB LEU 28 -5.485 2.664 0.743 212 HB3 LEU 28 2HB LEU 28 -6.953 3.209 0.058 213 HG LEU 28 HG LEU 28 -4.632 2.641 -1.798 214 HD11 LEU 28 1HD1 LEU 28 -4.444 0.814 -0.412 215 HD12 LEU 28 2HD1 LEU 28 -5.259 0.284 -1.881 216 HD13 LEU 28 3HD1 LEU 28 -6.207 0.537 -0.376 217 HD21 LEU 28 3HD2 LEU 28 -7.638 2.357 -2.041 218 HD22 LEU 28 1HD2 LEU 28 -6.473 1.857 -3.281 219 HD23 LEU 28 2HD2 LEU 28 -6.601 3.557 -2.817 220 H ARG 29 H ARG 29 -6.650 6.747 0.525 221 HA ARG 29 HA ARG 29 -5.324 7.326 2.980 222 HB2 ARG 29 1HB ARG 29 -8.087 8.420 2.279 223 HB3 ARG 29 2HB ARG 29 -6.870 9.097 3.340 224 HG2 ARG 29 1HG ARG 29 -6.584 10.445 1.594 225 HG3 ARG 29 2HG ARG 29 -5.412 9.213 1.115 226 HD2 ARG 29 1HD ARG 29 -6.979 8.273 -0.499 227 HD3 ARG 29 2HD ARG 29 -8.329 9.204 0.165 228 HE ARG 29 HE ARG 29 -6.136 10.150 -1.543 229 HH11 ARG 29 1HH1 ARG 29 -9.063 11.104 0.380 230 HH12 ARG 29 2HH1 ARG 29 -8.873 12.766 0.012 231 HH21 ARG 29 1HH2 ARG 29 -6.064 12.383 -2.105 232 HH22 ARG 29 2HH2 ARG 29 -7.195 13.491 -1.471 233 H THR 30 H THR 30 -8.623 5.972 2.365 234 HA THR 30 HA THR 30 -8.737 4.949 5.100 235 HB THR 30 HB THR 30 -11.004 5.882 5.417 236 HG1 THR 30 1HG THR 30 -10.418 7.312 3.028 237 HG21 THR 30 3HG2 THR 30 -9.073 6.991 6.446 238 HG22 THR 30 1HG2 THR 30 -10.370 8.130 6.051 239 HG23 THR 30 2HG2 THR 30 -8.927 8.054 5.024 240 H ASN 31 H ASN 31 -10.668 3.450 5.277 241 HA ASN 31 HA ASN 31 -10.491 1.455 3.337 242 HB2 ASN 31 1HB ASN 31 -11.362 0.721 5.361 243 HB3 ASN 31 2HB ASN 31 -12.426 2.105 5.539 244 HD21 ASN 31 1HD2 ASN 31 -12.072 -0.987 3.667 245 HD22 ASN 31 2HD2 ASN 31 -13.806 -1.241 3.656 246 H ASP 32 H ASP 32 -12.673 4.253 3.300 247 HA ASP 32 HA ASP 32 -14.465 3.458 1.296 248 HB2 ASP 32 1HB ASP 32 -13.882 5.783 2.774 249 HB3 ASP 32 2HB ASP 32 -13.616 6.274 1.105 250 H ASP 33 H ASP 33 -11.132 4.737 1.005 251 HA ASP 33 HA ASP 33 -11.193 5.130 -1.865 252 HB2 ASP 33 1HB ASP 33 -9.242 5.540 0.270 253 HB3 ASP 33 2HB ASP 33 -8.510 4.576 -0.994 254 H TRP 34 H TRP 34 -10.045 2.529 0.297 255 HA TRP 34 HA TRP 34 -9.038 0.786 -1.723 256 HB2 TRP 34 1HB TRP 34 -8.417 0.275 0.448 257 HB3 TRP 34 2HB TRP 34 -10.079 0.306 1.069 258 HD1 TRP 34 HD TRP 34 -11.425 -1.965 0.943 259 HE1 TRP 34 1HE TRP 34 -10.843 -4.371 0.155 260 HE3 TRP 34 3HE TRP 34 -7.094 -1.048 -1.584 261 HZ2 TRP 34 2HZ TRP 34 -8.655 -5.729 -1.071 262 HZ3 TRP 34 3HZ TRP 34 -5.763 -2.865 -2.513 263 HH2 TRP 34 HH TRP 34 -6.515 -5.252 -2.249 264 H GLN 35 H GLN 35 -12.271 1.093 -0.174 265 HA GLN 35 HA GLN 35 -13.582 -0.984 -1.523 266 HB2 GLN 35 1HB GLN 35 -14.598 1.639 -0.382 267 HB3 GLN 35 2HB GLN 35 -15.659 0.468 -1.140 268 HG2 GLN 35 1HG GLN 35 -13.839 -0.484 1.067 269 HG3 GLN 35 2HG GLN 35 -15.237 0.504 1.481 270 HE21 GLN 35 1HE2 GLN 35 -17.010 -0.697 2.037 271 HE22 GLN 35 2HE2 GLN 35 -17.386 -2.300 1.447 272 H ARG 36 H ARG 36 -13.535 2.520 -2.382 273 HA ARG 36 HA ARG 36 -14.879 2.253 -4.890 274 HB2 ARG 36 1HB ARG 36 -13.018 4.337 -3.698 275 HB3 ARG 36 2HB ARG 36 -13.837 4.588 -5.236 276 HG2 ARG 36 1HG ARG 36 -15.901 4.892 -4.322 277 HG3 ARG 36 2HG ARG 36 -15.623 3.793 -2.976 278 HD2 ARG 36 1HD ARG 36 -14.858 5.440 -1.615 279 HD3 ARG 36 2HD ARG 36 -13.822 6.146 -2.833 280 HE ARG 36 HE ARG 36 -16.371 7.076 -1.975 281 HH11 ARG 36 1HH1 ARG 36 -14.128 7.017 -4.707 282 HH12 ARG 36 2HH1 ARG 36 -14.980 8.213 -5.632 283 HH21 ARG 36 1HH2 ARG 36 -17.378 8.864 -3.101 284 HH22 ARG 36 2HH2 ARG 36 -16.646 9.491 -4.539 285 H PHE 37 H PHE 37 -11.586 1.432 -4.121 286 HA PHE 37 HA PHE 37 -10.601 1.761 -6.865 287 HB2 PHE 37 1HB PHE 37 -9.004 2.098 -5.161 288 HB3 PHE 37 2HB PHE 37 -9.498 0.693 -4.261 289 HD1 PHE 37 2HD PHE 37 -7.789 1.692 -7.462 290 HD2 PHE 37 1HD PHE 37 -8.398 -1.373 -4.475 291 HE1 PHE 37 2HE PHE 37 -5.903 0.345 -8.427 292 HE2 PHE 37 1HE PHE 37 -6.486 -2.637 -5.395 293 HZ PHE 37 HZ PHE 37 -5.163 -1.692 -7.275 294 H CYS 38 H CYS 38 -11.170 -1.098 -4.675 295 HA CYS 38 HA CYS 38 -11.015 -2.870 -6.907 296 HB2 CYS 38 1HB CYS 38 -10.626 -3.407 -4.439 297 HB3 CYS 38 2HB CYS 38 -12.389 -3.484 -4.250 298 HG CYS 38 HG CYS 38 -12.733 -5.276 -6.177 299 H ALA 39 H ALA 39 -13.746 -1.062 -5.562 300 HA ALA 39 HA ALA 39 -15.852 -2.640 -6.680 301 HB1 ALA 39 1HB ALA 39 -17.255 -0.701 -6.103 302 HB2 ALA 39 2HB ALA 39 -16.199 -1.163 -4.759 303 HB3 ALA 39 3HB ALA 39 -15.811 0.269 -5.745 304 H ASP 40 H ASP 40 -13.582 -0.480 -8.193 305 HA ASP 40 HA ASP 40 -15.545 0.109 -10.341 306 HB2 ASP 40 1HB ASP 40 -14.374 1.945 -8.999 307 HB3 ASP 40 2HB ASP 40 -12.936 1.536 -9.923 308 H SER 41 H SER 41 -13.470 -2.238 -9.760 309 HA SER 41 HA SER 41 -11.943 -3.512 -10.772 310 HB2 SER 41 1HB SER 41 -14.102 -3.723 -12.229 311 HB3 SER 41 2HB SER 41 -13.133 -2.924 -13.477 312 HG SER 41 HG SER 41 -12.860 -5.146 -13.662 313 H LYS 42 H LYS 42 -11.007 -0.936 -10.259 314 HA LYS 42 HA LYS 42 -9.686 0.436 -12.315 315 HB2 LYS 42 1HB LYS 42 -8.762 -0.178 -9.471 316 HB3 LYS 42 2HB LYS 42 -7.996 1.022 -10.519 317 HG2 LYS 42 1HG LYS 42 -10.854 1.111 -9.503 318 HG3 LYS 42 2HG LYS 42 -9.495 2.021 -8.872 319 HD2 LYS 42 1HD LYS 42 -9.316 3.121 -11.177 320 HD3 LYS 42 2HD LYS 42 -10.881 2.347 -11.549 321 HE2 LYS 42 1HE LYS 42 -11.708 3.377 -9.313 322 HE3 LYS 42 2HE LYS 42 -10.231 4.359 -9.352 323 HZ1 LYS 42 3HZ LYS 42 -10.963 5.171 -11.515 324 HZ2 LYS 42 1HZ LYS 42 -12.003 5.565 -10.307 325 HZ3 LYS 42 2HZ LYS 42 -12.392 4.331 -11.349 326 H HIS 43 H HIS 43 -8.729 -2.564 -10.665 327 HA HIS 43 HA HIS 43 -6.671 -3.146 -12.621 328 HB2 HIS 43 1HB HIS 43 -4.831 -2.786 -11.299 329 HB3 HIS 43 2HB HIS 43 -5.836 -1.553 -10.604 330 HD1 HIS 43 1HD HIS 43 -3.555 -3.805 -9.368 331 HD2 HIS 43 2HD HIS 43 -7.670 -3.401 -8.752 332 HE1 HIS 43 1HE HIS 43 -4.103 -5.151 -7.251 333 H LEU 44 H LEU 44 -5.517 -5.336 -11.188 334 HA LEU 44 HA LEU 44 -7.858 -7.091 -10.620 335 HB2 LEU 44 1HB LEU 44 -5.258 -7.939 -11.823 336 HB3 LEU 44 2HB LEU 44 -6.703 -8.889 -11.548 337 HG LEU 44 HG LEU 44 -7.929 -7.484 -13.257 338 HD11 LEU 44 1HD1 LEU 44 -6.160 -6.373 -14.926 339 HD12 LEU 44 2HD1 LEU 44 -5.222 -6.146 -13.422 340 HD13 LEU 44 3HD1 LEU 44 -6.848 -5.479 -13.584 341 HD21 LEU 44 3HD2 LEU 44 -6.953 -9.659 -13.643 342 HD22 LEU 44 1HD2 LEU 44 -5.380 -8.939 -14.025 343 HD23 LEU 44 2HD2 LEU 44 -6.782 -8.657 -15.104 344 H LEU 45 H LEU 45 -7.753 -7.949 -8.569 345 HA LEU 45 HA LEU 45 -5.174 -7.888 -7.163 346 HB2 LEU 45 1HB LEU 45 -7.964 -8.837 -6.371 347 HB3 LEU 45 2HB LEU 45 -6.568 -8.994 -5.300 348 HG LEU 45 HG LEU 45 -7.508 -6.338 -6.456 349 HD11 LEU 45 1HD1 LEU 45 -9.265 -7.313 -5.020 350 HD12 LEU 45 2HD1 LEU 45 -8.522 -5.918 -4.225 351 HD13 LEU 45 3HD1 LEU 45 -8.094 -7.570 -3.714 352 HD21 LEU 45 3HD2 LEU 45 -5.132 -6.366 -5.656 353 HD22 LEU 45 1HD2 LEU 45 -5.655 -7.007 -4.097 354 HD23 LEU 45 2HD2 LEU 45 -6.138 -5.368 -4.620 355 H GLN 46 H GLN 46 -3.835 -9.574 -6.853 356 HA GLN 46 HA GLN 46 -4.619 -12.293 -7.629 357 HB2 GLN 46 1HB GLN 46 -2.720 -12.362 -9.256 358 HB3 GLN 46 2HB GLN 46 -4.083 -11.349 -9.742 359 HG2 GLN 46 1HG GLN 46 -2.837 -9.349 -8.914 360 HG3 GLN 46 2HG GLN 46 -1.494 -10.454 -8.553 361 HE21 GLN 46 1HE2 GLN 46 -1.042 -8.303 -10.027 362 HE22 GLN 46 2HE2 GLN 46 -0.953 -8.617 -11.774 363 H TYR 47 H TYR 47 -2.760 -13.823 -7.177 364 HA TYR 47 HA TYR 47 -2.422 -13.460 -4.379 365 HB2 TYR 47 1HB TYR 47 -1.241 -15.656 -6.109 366 HB3 TYR 47 2HB TYR 47 -1.552 -15.712 -4.372 367 HD1 TYR 47 2HD TYR 47 -4.278 -14.639 -4.075 368 HD2 TYR 47 1HD TYR 47 -2.661 -17.277 -7.096 369 HE1 TYR 47 2HE TYR 47 -6.544 -15.382 -4.619 370 HE2 TYR 47 1HE TYR 47 -4.966 -18.083 -7.598 371 HH TYR 47 HH TYR 47 -7.808 -17.014 -5.755 372 H GLY 48 H GLY 48 -1.017 -12.102 -3.575 373 HA2 GLY 48 1HA GLY 48 1.315 -11.938 -2.886 374 HA3 GLY 48 2HA GLY 48 1.805 -12.060 -4.572 375 H ASP 49 H ASP 49 -0.997 -10.061 -4.271 376 HA ASP 49 HA ASP 49 0.139 -7.797 -5.368 377 HB2 ASP 49 1HB ASP 49 -2.419 -8.654 -4.222 378 HB3 ASP 49 2HB ASP 49 -2.089 -6.972 -3.832 379 H LYS 50 H LYS 50 0.404 -8.637 -2.121 380 HA LYS 50 HA LYS 50 0.940 -7.816 -0.191 381 HB2 LYS 50 1HB LYS 50 3.061 -7.556 -1.713 382 HB3 LYS 50 2HB LYS 50 2.753 -5.819 -1.521 383 HG2 LYS 50 1HG LYS 50 2.915 -6.139 1.016 384 HG3 LYS 50 2HG LYS 50 3.324 -7.823 0.732 385 HD2 LYS 50 1HD LYS 50 4.868 -5.553 -0.576 386 HD3 LYS 50 2HD LYS 50 5.289 -6.131 1.026 387 HE2 LYS 50 1HE LYS 50 5.758 -8.334 0.287 388 HE3 LYS 50 2HE LYS 50 5.036 -8.069 -1.304 389 HZ1 LYS 50 3HZ LYS 50 7.523 -6.797 -0.323 390 HZ2 LYS 50 1HZ LYS 50 6.864 -6.596 -1.826 391 HZ3 LYS 50 2HZ LYS 50 7.436 -8.049 -1.350 392 H LEU 51 H LEU 51 0.126 -6.525 1.357 393 HA LEU 51 HA LEU 51 -0.467 -3.697 0.635 394 HB2 LEU 51 1HB LEU 51 -2.141 -5.642 2.192 395 HB3 LEU 51 2HB LEU 51 -2.025 -3.999 2.822 396 HG LEU 51 HG LEU 51 -2.715 -4.563 -0.093 397 HD11 LEU 51 1HD1 LEU 51 -4.367 -5.731 1.298 398 HD12 LEU 51 2HD1 LEU 51 -5.096 -4.319 0.520 399 HD13 LEU 51 3HD1 LEU 51 -4.626 -4.261 2.245 400 HD21 LEU 51 3HD2 LEU 51 -2.064 -2.194 0.638 401 HD22 LEU 51 1HD2 LEU 51 -3.486 -2.223 1.691 402 HD23 LEU 51 2HD2 LEU 51 -3.684 -2.341 -0.067 403 H VAL 52 H VAL 52 0.408 -2.227 1.845 404 HA VAL 52 HA VAL 52 1.628 -2.960 4.430 405 HB VAL 52 HB VAL 52 2.507 -0.954 2.311 406 HG11 VAL 52 1HG1 VAL 52 2.652 0.203 4.514 407 HG12 VAL 52 2HG1 VAL 52 3.613 -1.160 5.140 408 HG13 VAL 52 3HG1 VAL 52 4.242 -0.156 3.836 409 HG21 VAL 52 3HG2 VAL 52 4.695 -2.150 2.649 410 HG22 VAL 52 1HG2 VAL 52 3.872 -3.282 3.725 411 HG23 VAL 52 2HG2 VAL 52 3.422 -3.208 2.018 412 H ASP 53 H ASP 53 1.133 -1.436 6.044 413 HA ASP 53 HA ASP 53 -1.157 0.328 5.718 414 HB2 ASP 53 1HB ASP 53 -2.184 -0.674 7.574 415 HB3 ASP 53 2HB ASP 53 -1.647 -2.034 6.641 416 H SER 54 H SER 54 -1.317 1.558 7.766 417 HA SER 54 HA SER 54 0.907 3.247 8.229 418 HB2 SER 54 1HB SER 54 -1.615 3.571 8.629 419 HB3 SER 54 2HB SER 54 -1.361 2.721 10.157 420 HG SER 54 HG SER 54 -1.296 4.945 10.436 421 H ASN 55 H ASN 55 0.349 0.087 9.560 422 HA ASN 55 HA ASN 55 1.750 0.604 12.102 423 HB2 ASN 55 1HB ASN 55 -0.605 -0.687 11.527 424 HB3 ASN 55 2HB ASN 55 0.510 -2.038 11.462 425 HD21 ASN 55 1HD2 ASN 55 -0.345 0.840 13.548 426 HD22 ASN 55 2HD2 ASN 55 -0.133 -0.042 15.030 427 H PHE 56 H PHE 56 2.581 -0.375 9.026 428 HA PHE 56 HA PHE 56 4.263 -1.491 8.056 429 HB2 PHE 56 1HB PHE 56 5.587 -1.379 10.770 430 HB3 PHE 56 2HB PHE 56 6.302 -2.131 9.406 431 HD1 PHE 56 1HD PHE 56 4.624 1.245 10.035 432 HD2 PHE 56 2HD PHE 56 7.908 -0.950 8.247 433 HE1 PHE 56 1HE PHE 56 5.604 3.348 9.244 434 HE2 PHE 56 2HE PHE 56 8.871 1.181 7.461 435 HZ PHE 56 HZ PHE 56 7.733 3.343 7.955 436 H HIS 57 H HIS 57 1.913 -2.929 9.475 437 HA HIS 57 HA HIS 57 2.905 -5.708 9.718 438 HB2 HIS 57 1HB HIS 57 0.135 -4.464 9.514 439 HB3 HIS 57 2HB HIS 57 0.472 -6.202 9.557 440 HD1 HIS 57 1HD HIS 57 -1.186 -4.465 11.835 441 HD2 HIS 57 2HD HIS 57 2.754 -6.031 11.929 442 HE1 HIS 57 1HE HIS 57 -0.671 -5.039 14.274 443 H CYS 58 H CYS 58 3.763 -6.536 7.754 444 HA CYS 58 HA CYS 58 2.696 -5.579 5.215 445 HB2 CYS 58 1HB CYS 58 5.096 -6.579 5.824 446 HB3 CYS 58 2HB CYS 58 4.286 -8.119 5.514 447 HG CYS 58 HG CYS 58 5.567 -7.560 3.466 448 H PHE 59 H PHE 59 1.352 -6.841 3.836 449 HA PHE 59 HA PHE 59 0.136 -9.318 4.933 450 HB2 PHE 59 1HB PHE 59 -1.340 -6.963 3.708 451 HB3 PHE 59 2HB PHE 59 -2.076 -8.490 4.161 452 HD1 PHE 59 2HD PHE 59 -1.889 -9.211 6.649 453 HD2 PHE 59 1HD PHE 59 -1.236 -5.183 5.271 454 HE1 PHE 59 2HE PHE 59 -2.030 -8.384 8.977 455 HE2 PHE 59 1HE PHE 59 -1.580 -4.341 7.572 456 HZ PHE 59 HZ PHE 59 -1.968 -5.924 9.437 457 H VAL 60 H VAL 60 -0.699 -10.685 3.259 458 HA VAL 60 HA VAL 60 0.012 -10.153 0.453 459 HB VAL 60 HB VAL 60 1.039 -12.365 2.286 460 HG11 VAL 60 1HG1 VAL 60 0.960 -12.424 -0.757 461 HG12 VAL 60 2HG1 VAL 60 1.942 -13.504 0.263 462 HG13 VAL 60 3HG1 VAL 60 0.190 -13.574 0.359 463 HG21 VAL 60 3HG2 VAL 60 2.439 -10.624 0.203 464 HG22 VAL 60 1HG2 VAL 60 2.461 -10.303 1.939 465 HG23 VAL 60 2HG2 VAL 60 3.202 -11.789 1.326 466 H LEU 61 H LEU 61 -1.489 -11.010 -0.893 467 HA LEU 61 HA LEU 61 -3.947 -12.154 0.173 468 HB2 LEU 61 1HB LEU 61 -3.879 -10.398 -1.778 469 HB3 LEU 61 2HB LEU 61 -3.057 -11.601 -2.703 470 HG LEU 61 HG LEU 61 -5.062 -13.162 -2.364 471 HD11 LEU 61 1HD1 LEU 61 -6.679 -10.726 -1.600 472 HD12 LEU 61 2HD1 LEU 61 -5.935 -11.698 -0.330 473 HD13 LEU 61 3HD1 LEU 61 -7.058 -12.464 -1.418 474 HD21 LEU 61 3HD2 LEU 61 -6.483 -12.026 -4.027 475 HD22 LEU 61 1HD2 LEU 61 -4.771 -11.962 -4.446 476 HD23 LEU 61 2HD2 LEU 61 -5.562 -10.523 -3.773 477 H GLU 62 H GLU 62 -4.464 -14.315 0.047 478 HA GLU 62 HA GLU 62 -2.697 -16.107 -1.543 479 HB2 GLU 62 1HB GLU 62 -3.819 -16.696 1.219 480 HB3 GLU 62 2HB GLU 62 -2.755 -17.721 0.241 481 HG2 GLU 62 1HG GLU 62 -1.138 -15.617 0.332 482 HG3 GLU 62 2HG GLU 62 -2.096 -15.176 1.744 483 H GLU 63 H GLU 63 -3.869 -18.344 -1.764 484 HA GLU 63 HA GLU 63 -5.988 -17.716 -3.513 485 HB2 GLU 63 1HB GLU 63 -5.438 -20.538 -2.582 486 HB3 GLU 63 2HB GLU 63 -6.047 -19.961 -4.126 487 HG2 GLU 63 1HG GLU 63 -3.923 -20.376 -4.803 488 HG3 GLU 63 2HG GLU 63 -3.611 -18.753 -4.196 489 H ASP 64 H ASP 64 -6.035 -18.944 -0.219 490 HA ASP 64 HA ASP 64 -8.833 -19.535 -0.095 491 HB2 ASP 64 1HB ASP 64 -7.053 -20.314 1.524 492 HB3 ASP 64 2HB ASP 64 -7.087 -18.695 2.228 493 H ALA 65 H ALA 65 -7.610 -16.696 -0.927 494 HA ALA 65 HA ALA 65 -8.540 -14.710 -1.302 495 HB1 ALA 65 1HB ALA 65 -10.945 -14.553 -1.389 496 HB2 ALA 65 2HB ALA 65 -10.453 -16.155 -1.980 497 HB3 ALA 65 3HB ALA 65 -11.129 -15.980 -0.351 498 H HIS 66 H HIS 66 -7.409 -15.340 1.259 499 HA HIS 66 HA HIS 66 -8.479 -13.022 2.775 500 HB2 HIS 66 1HB HIS 66 -7.691 -13.989 4.817 501 HB3 HIS 66 2HB HIS 66 -8.828 -15.060 4.037 502 HD1 HIS 66 1HD HIS 66 -8.029 -17.421 4.816 503 HD2 HIS 66 2HD HIS 66 -4.933 -14.876 3.520 504 HE1 HIS 66 1HE HIS 66 -5.862 -18.741 5.045 505 H TRP 67 H TRP 67 -6.871 -11.901 3.999 506 HA TRP 67 HA TRP 67 -4.321 -11.525 2.524 507 HB2 TRP 67 1HB TRP 67 -6.060 -9.722 4.247 508 HB3 TRP 67 2HB TRP 67 -4.384 -9.343 3.868 509 HD1 TRP 67 HD TRP 67 -7.764 -9.796 2.069 510 HE1 TRP 67 1HE TRP 67 -7.592 -8.812 -0.303 511 HE3 TRP 67 3HE TRP 67 -2.805 -8.692 2.029 512 HZ2 TRP 67 2HZ TRP 67 -5.598 -7.398 -1.872 513 HZ3 TRP 67 3HZ TRP 67 -1.772 -7.576 0.095 514 HH2 TRP 67 HH TRP 67 -3.146 -6.837 -1.827 515 H HIS 68 H HIS 68 -2.909 -12.924 3.433 516 HA HIS 68 HA HIS 68 -3.030 -13.695 6.240 517 HB2 HIS 68 1HB HIS 68 -2.326 -15.213 4.370 518 HB3 HIS 68 2HB HIS 68 -0.936 -14.179 4.063 519 HD1 HIS 68 1HD HIS 68 1.030 -14.257 6.051 520 HD2 HIS 68 2HD HIS 68 -2.139 -17.037 6.243 521 HE1 HIS 68 1HE HIS 68 1.773 -16.074 7.640 522 HA PRO 69 HA PRO 69 -0.240 -10.287 7.429 523 HB2 PRO 69 1HB PRO 69 0.594 -11.183 9.875 524 HB3 PRO 69 2HB PRO 69 -1.030 -10.489 9.583 525 HG2 PRO 69 1HG PRO 69 -0.233 -13.399 9.669 526 HG3 PRO 69 2HG PRO 69 -1.637 -12.619 10.468 527 HD2 PRO 69 1HD PRO 69 -1.850 -13.973 8.123 528 HD3 PRO 69 2HD PRO 69 -2.815 -12.497 8.430 529 H ALA 70 H ALA 70 1.627 -10.081 6.407 530 HA ALA 70 HA ALA 70 3.354 -12.423 5.927 531 HB1 ALA 70 1HB ALA 70 3.220 -9.711 4.565 532 HB2 ALA 70 2HB ALA 70 4.214 -11.095 4.064 533 HB3 ALA 70 3HB ALA 70 2.446 -11.217 4.025 534 H ALA 71 H ALA 71 3.402 -11.237 8.521 535 HA ALA 71 HA ALA 71 4.734 -10.588 10.153 536 HB1 ALA 71 1HB ALA 71 7.264 -10.645 8.582 537 HB2 ALA 71 2HB ALA 71 6.878 -11.356 10.164 538 HB3 ALA 71 3HB ALA 71 6.342 -12.155 8.691 539 HA PRO 72 HA PRO 72 5.235 -6.251 9.842 540 HB2 PRO 72 1HB PRO 72 7.279 -5.487 11.485 541 HB3 PRO 72 2HB PRO 72 5.706 -6.099 12.073 542 HG2 PRO 72 1HG PRO 72 8.284 -7.659 11.710 543 HG3 PRO 72 2HG PRO 72 7.189 -7.642 13.128 544 HD2 PRO 72 1HD PRO 72 7.063 -9.590 11.240 545 HD3 PRO 72 2HD PRO 72 5.579 -8.962 12.007 546 H LEU 73 H LEU 73 6.984 -4.408 9.562 547 HA LEU 73 HA LEU 73 8.916 -5.111 7.412 548 HB2 LEU 73 1HB LEU 73 6.641 -4.492 6.715 549 HB3 LEU 73 2HB LEU 73 6.816 -2.920 7.435 550 HG LEU 73 HG LEU 73 8.800 -3.788 5.330 551 HD11 LEU 73 1HD1 LEU 73 6.178 -2.395 4.678 552 HD12 LEU 73 2HD1 LEU 73 6.449 -4.100 4.329 553 HD13 LEU 73 3HD1 LEU 73 7.449 -2.830 3.535 554 HD21 LEU 73 3HD2 LEU 73 9.199 -1.879 6.567 555 HD22 LEU 73 1HD2 LEU 73 7.633 -1.137 6.087 556 HD23 LEU 73 2HD2 LEU 73 8.861 -1.481 4.877 557 HA PRO 74 HA PRO 74 11.524 -2.650 9.980 558 HB2 PRO 74 1HB PRO 74 13.702 -2.234 8.346 559 HB3 PRO 74 2HB PRO 74 13.270 -3.817 9.020 560 HG2 PRO 74 1HG PRO 74 12.721 -2.779 6.257 561 HG3 PRO 74 2HG PRO 74 13.292 -4.397 6.747 562 HD2 PRO 74 1HD PRO 74 10.678 -3.797 6.170 563 HD3 PRO 74 2HD PRO 74 11.130 -5.084 7.309 564 HA PRO 75 HA PRO 75 10.970 1.677 9.153 565 HB2 PRO 75 1HB PRO 75 13.385 2.840 9.964 566 HB3 PRO 75 2HB PRO 75 12.048 2.299 11.005 567 HG2 PRO 75 1HG PRO 75 14.579 0.813 10.319 568 HG3 PRO 75 2HG PRO 75 13.788 1.006 11.924 569 HD2 PRO 75 1HD PRO 75 13.464 -1.244 10.473 570 HD3 PRO 75 2HD PRO 75 12.102 -0.546 11.396 571 H GLU 76 H GLU 76 13.429 0.045 7.497 572 HA GLU 76 HA GLU 76 13.775 2.223 5.496 573 HB2 GLU 76 1HB GLU 76 15.708 0.962 4.727 574 HB3 GLU 76 2HB GLU 76 15.833 1.342 6.445 575 HG2 GLU 76 1HG GLU 76 15.208 -0.924 7.073 576 HG3 GLU 76 2HG GLU 76 14.934 -1.325 5.373 577 H GLY 77 H GLY 77 12.036 -0.780 5.925 578 HA2 GLY 77 1HA GLY 77 12.125 -1.834 3.278 579 HA3 GLY 77 2HA GLY 77 10.887 -2.104 4.476 580 H LEU 78 H LEU 78 10.078 0.598 4.838 581 HA LEU 78 HA LEU 78 8.025 0.977 2.961 582 HB2 LEU 78 1HB LEU 78 7.882 2.032 5.087 583 HB3 LEU 78 2HB LEU 78 9.478 2.751 4.954 584 HG LEU 78 HG LEU 78 8.660 4.351 3.242 585 HD11 LEU 78 1HD1 LEU 78 6.805 3.129 2.246 586 HD12 LEU 78 2HD1 LEU 78 6.189 4.620 2.953 587 HD13 LEU 78 3HD1 LEU 78 5.943 3.080 3.812 588 HD21 LEU 78 3HD2 LEU 78 7.372 5.733 4.774 589 HD22 LEU 78 1HD2 LEU 78 8.674 4.910 5.650 590 HD23 LEU 78 2HD2 LEU 78 7.003 4.313 5.787 591 H ASN 79 H ASN 79 11.212 2.407 3.270 592 HA ASN 79 HA ASN 79 11.064 4.219 1.103 593 HB2 ASN 79 1HB ASN 79 13.604 3.264 2.483 594 HB3 ASN 79 2HB ASN 79 13.280 4.836 1.774 595 HD21 ASN 79 1HD2 ASN 79 13.063 6.476 3.581 596 HD22 ASN 79 2HD2 ASN 79 12.162 6.032 4.991 597 H ASP 80 H ASP 80 11.866 0.828 1.238 598 HA ASP 80 HA ASP 80 13.337 0.790 -1.328 599 HB2 ASP 80 1HB ASP 80 13.969 -0.879 0.336 600 HB3 ASP 80 2HB ASP 80 12.299 -1.453 0.445 601 H LEU 81 H LEU 81 10.120 -0.125 0.016 602 HA LEU 81 HA LEU 81 8.961 -1.043 -2.395 603 HB2 LEU 81 1HB LEU 81 7.977 -0.063 0.265 604 HB3 LEU 81 2HB LEU 81 6.845 0.115 -1.069 605 HG LEU 81 HG LEU 81 7.062 -2.249 -1.649 606 HD11 LEU 81 1HD1 LEU 81 8.110 -3.837 -0.036 607 HD12 LEU 81 2HD1 LEU 81 8.777 -2.467 0.872 608 HD13 LEU 81 3HD1 LEU 81 9.320 -2.787 -0.785 609 HD21 LEU 81 3HD2 LEU 81 5.289 -1.481 -0.108 610 HD22 LEU 81 1HD2 LEU 81 6.387 -1.716 1.262 611 HD23 LEU 81 2HD2 LEU 81 5.812 -3.117 0.321 612 H ILE 82 H ILE 82 8.830 2.214 -0.941 613 HA ILE 82 HA ILE 82 7.530 3.484 -3.153 614 HB ILE 82 HB ILE 82 9.307 4.636 -1.024 615 HG12 ILE 82 1HG1 ILE 82 7.112 3.379 -0.316 616 HG13 ILE 82 2HG1 ILE 82 7.493 4.936 0.368 617 HG21 ILE 82 1HG2 ILE 82 9.173 6.286 -2.737 618 HG22 ILE 82 2HG2 ILE 82 7.471 5.940 -3.081 619 HG23 ILE 82 3HG2 ILE 82 7.917 6.744 -1.575 620 HD11 ILE 82 3HD1 ILE 82 5.816 6.044 -0.880 621 HD12 ILE 82 1HD1 ILE 82 5.636 4.712 -2.022 622 HD13 ILE 82 2HD1 ILE 82 5.073 4.527 -0.349 623 H ARG 83 H ARG 83 10.948 2.764 -2.606 624 HA ARG 83 HA ARG 83 12.109 4.261 -4.717 625 HB2 ARG 83 1HB ARG 83 12.884 2.233 -2.932 626 HB3 ARG 83 2HB ARG 83 13.181 1.556 -4.516 627 HG2 ARG 83 1HG ARG 83 14.151 4.323 -3.626 628 HG3 ARG 83 2HG ARG 83 15.011 2.825 -3.359 629 HD2 ARG 83 1HD ARG 83 14.692 2.490 -5.963 630 HD3 ARG 83 2HD ARG 83 14.475 4.238 -5.962 631 HE ARG 83 HE ARG 83 16.675 4.311 -4.680 632 HH11 ARG 83 1HH1 ARG 83 16.059 1.673 -6.980 633 HH12 ARG 83 2HH1 ARG 83 17.679 1.641 -7.597 634 HH21 ARG 83 1HH2 ARG 83 18.879 3.853 -5.037 635 HH22 ARG 83 2HH2 ARG 83 19.336 2.924 -6.416 636 H ALA 84 H ALA 84 10.330 1.143 -4.794 637 HA ALA 84 HA ALA 84 10.892 0.673 -7.539 638 HB1 ALA 84 1HB ALA 84 9.998 -0.952 -5.622 639 HB2 ALA 84 2HB ALA 84 8.408 -0.456 -6.246 640 HB3 ALA 84 3HB ALA 84 9.595 -1.254 -7.308 641 H HIS 85 H HIS 85 8.104 2.228 -5.977 642 HA HIS 85 HA HIS 85 6.640 2.787 -8.373 643 HB2 HIS 85 1HB HIS 85 5.455 3.061 -6.368 644 HB3 HIS 85 2HB HIS 85 6.750 3.991 -5.608 645 HD1 HIS 85 1HD HIS 85 3.496 4.626 -7.535 646 HD2 HIS 85 2HD HIS 85 7.005 6.599 -6.217 647 HE1 HIS 85 1HE HIS 85 2.996 7.064 -7.553 648 H CYS 86 H CYS 86 9.132 4.734 -6.566 649 HA CYS 86 HA CYS 86 8.933 6.937 -8.312 650 HB2 CYS 86 1HB CYS 86 11.318 5.883 -6.693 651 HB3 CYS 86 2HB CYS 86 11.276 7.478 -7.448 652 HG CYS 86 HG CYS 86 10.896 7.584 -4.795 653 H ALA 87 H ALA 87 11.023 4.037 -8.482 654 HA ALA 87 HA ALA 87 12.514 4.840 -10.701 655 HB1 ALA 87 1HB ALA 87 11.751 2.056 -9.735 656 HB2 ALA 87 2HB ALA 87 13.082 2.410 -10.851 657 HB3 ALA 87 3HB ALA 87 13.147 2.986 -9.172 658 H THR 88 H THR 88 9.036 3.862 -10.817 659 HA THR 88 HA THR 88 9.528 3.080 -13.632 660 HB THR 88 HB THR 88 8.591 1.360 -12.298 661 HG1 THR 88 1HG THR 88 6.981 0.884 -13.795 662 HG21 THR 88 3HG2 THR 88 6.358 1.249 -11.515 663 HG22 THR 88 1HG2 THR 88 5.983 2.862 -12.081 664 HG23 THR 88 2HG2 THR 88 7.127 2.631 -10.726 665 H LEU 89 H LEU 89 8.570 5.633 -11.720 666 HA LEU 89 HA LEU 89 7.222 7.039 -13.928 667 HB2 LEU 89 1HB LEU 89 7.701 7.455 -10.946 668 HB3 LEU 89 2HB LEU 89 6.900 8.632 -11.970 669 HG LEU 89 HG LEU 89 5.524 7.085 -10.505 670 HD11 LEU 89 1HD1 LEU 89 4.620 8.547 -12.393 671 HD12 LEU 89 2HD1 LEU 89 3.697 7.027 -12.286 672 HD13 LEU 89 3HD1 LEU 89 4.970 7.204 -13.514 673 HD21 LEU 89 3HD2 LEU 89 5.667 5.076 -12.725 674 HD22 LEU 89 1HD2 LEU 89 4.615 5.067 -11.301 675 HD23 LEU 89 2HD2 LEU 89 6.356 4.926 -11.089 676 H GLY 90 H GLY 90 10.331 6.820 -12.364 677 HA2 GLY 90 1HA GLY 90 12.304 7.958 -12.846 678 HA3 GLY 90 2HA GLY 90 11.414 9.109 -13.847 679 H HIS 91 H HIS 91 10.187 8.467 -10.575 680 HA HIS 91 HA HIS 91 10.576 11.349 -10.031 681 HB2 HIS 91 1HB HIS 91 9.076 9.140 -8.585 682 HB3 HIS 91 2HB HIS 91 9.354 10.721 -7.855 683 HD1 HIS 91 1HD HIS 91 8.469 12.872 -9.769 684 HD2 HIS 91 2HD HIS 91 6.663 9.062 -9.542 685 HE1 HIS 91 1HE HIS 91 6.219 13.077 -10.871 686 H CYS 92 H CYS 92 11.477 12.002 -7.912 687 HA CYS 92 HA CYS 92 13.838 10.322 -7.171 688 HB2 CYS 92 1HB CYS 92 13.511 13.341 -6.870 689 HB3 CYS 92 2HB CYS 92 14.939 12.383 -6.505 690 HG CYS 92 HG CYS 92 15.509 13.657 -8.608 691 H CYS 93 H CYS 93 14.473 10.462 -4.905 692 HA CYS 93 HA CYS 93 12.532 10.544 -2.798 693 HB2 CYS 93 1HB CYS 93 15.492 11.195 -2.787 694 HB3 CYS 93 2HB CYS 93 14.534 10.664 -1.404 695 HG CYS 93 HG CYS 93 16.081 8.699 -2.032 696 H THR 94 H THR 94 12.515 12.176 -1.116 697 HA THR 94 HA THR 94 12.785 14.955 -2.053 698 HB THR 94 HB THR 94 10.754 15.461 -0.795 699 HG1 THR 94 1HG THR 94 9.546 13.817 0.153 700 HG21 THR 94 3HG2 THR 94 9.077 14.271 -2.113 701 HG22 THR 94 1HG2 THR 94 10.272 13.052 -2.625 702 HG23 THR 94 2HG2 THR 94 10.424 14.735 -3.150 703 H SER 95 H SER 95 12.169 15.972 0.568 704 HA SER 95 HA SER 95 14.662 16.049 1.870 705 HB2 SER 95 1HB SER 95 12.074 16.300 3.355 706 HB3 SER 95 2HB SER 95 13.516 17.315 3.463 707 HG SER 95 HG SER 95 12.799 17.886 1.146 708 H LYS 96 H LYS 96 15.035 15.264 4.156 709 HA LYS 96 HA LYS 96 15.457 13.628 5.583 710 HB2 LYS 96 1HB LYS 96 13.835 12.568 6.742 711 HB3 LYS 96 2HB LYS 96 13.158 14.117 6.272 712 HG2 LYS 96 1HG LYS 96 12.611 11.828 4.447 713 HG3 LYS 96 2HG LYS 96 11.916 11.694 6.037 714 HD2 LYS 96 1HD LYS 96 11.512 14.291 4.535 715 HD3 LYS 96 2HD LYS 96 10.563 12.875 4.058 716 HE2 LYS 96 1HE LYS 96 9.602 12.652 6.193 717 HE3 LYS 96 2HE LYS 96 10.743 13.775 6.950 718 HZ1 LYS 96 3HZ LYS 96 9.645 15.578 5.903 719 HZ2 LYS 96 1HZ LYS 96 8.455 14.601 6.471 720 HZ3 LYS 96 2HZ LYS 96 8.816 14.568 4.873 721 H MET 97 H MET 97 14.836 10.963 5.832 722 HA MET 97 HA MET 97 16.502 9.915 3.646 723 HB2 MET 97 1HB MET 97 16.752 9.379 6.136 724 HB3 MET 97 2HB MET 97 15.371 8.308 5.977 725 HG2 MET 97 1HG MET 97 17.739 8.071 4.079 726 HG3 MET 97 2HG MET 97 17.880 7.530 5.735 727 HE1 MET 97 3HE MET 97 16.473 5.432 2.214 728 HE2 MET 97 1HE MET 97 14.937 6.159 2.721 729 HE3 MET 97 2HE MET 97 16.345 7.195 2.413 730 H HIS 98 H HIS 98 14.840 10.491 2.035 731 HA HIS 98 HA HIS 98 13.323 9.899 0.471 732 HB2 HIS 98 1HB HIS 98 14.465 7.601 0.943 733 HB3 HIS 98 2HB HIS 98 12.929 7.172 1.687 734 HD1 HIS 98 1HD HIS 98 13.436 5.310 -0.553 735 HD2 HIS 98 2HD HIS 98 11.986 9.209 -1.201 736 HE1 HIS 98 1HE HIS 98 12.283 5.285 -2.785 737 H LEU 99 H LEU 99 11.775 8.188 3.365 738 HA LEU 99 HA LEU 99 9.857 10.429 3.639 739 HB2 LEU 99 1HB LEU 99 9.113 7.527 3.212 740 HB3 LEU 99 2HB LEU 99 8.008 8.754 3.827 741 HG LEU 99 HG LEU 99 9.366 8.903 1.114 742 HD11 LEU 99 1HD1 LEU 99 6.615 8.013 1.970 743 HD12 LEU 99 2HD1 LEU 99 7.888 6.974 1.329 744 HD13 LEU 99 3HD1 LEU 99 7.136 8.184 0.267 745 HD21 LEU 99 3HD2 LEU 99 7.007 10.517 2.187 746 HD22 LEU 99 1HD2 LEU 99 7.695 10.588 0.554 747 HD23 LEU 99 2HD2 LEU 99 8.658 11.137 1.923 748 H HIS 100 H HIS 100 8.893 10.548 5.613 749 HA HIS 100 HA HIS 100 10.361 9.412 7.831 750 HB2 HIS 100 1HB HIS 100 9.491 11.680 7.875 751 HB3 HIS 100 2HB HIS 100 7.850 11.093 7.570 752 HD1 HIS 100 1HD HIS 100 6.406 11.074 9.649 753 HD2 HIS 100 2HD HIS 100 10.552 10.826 10.379 754 HE1 HIS 100 1HE HIS 100 6.707 11.414 12.154 755 H SER 101 H SER 101 7.301 8.730 6.215 756 HA SER 101 HA SER 101 6.812 6.243 7.580 757 HB2 SER 101 1HB SER 101 6.425 8.299 9.349 758 HB3 SER 101 2HB SER 101 4.836 8.243 8.590 759 HG SER 101 HG SER 101 6.235 6.196 10.010 760 H VAL 102 H VAL 102 4.166 5.751 7.443 761 HA VAL 102 HA VAL 102 3.656 5.743 4.617 762 HB VAL 102 HB VAL 102 1.781 5.099 6.928 763 HG11 VAL 102 1HG1 VAL 102 1.577 4.282 4.005 764 HG12 VAL 102 2HG1 VAL 102 0.534 3.704 5.323 765 HG13 VAL 102 3HG1 VAL 102 0.494 5.400 4.850 766 HG21 VAL 102 3HG2 VAL 102 3.539 3.219 5.273 767 HG22 VAL 102 1HG2 VAL 102 3.848 3.674 6.963 768 HG23 VAL 102 2HG2 VAL 102 2.407 2.766 6.567 769 H MET 103 H MET 103 2.311 7.650 7.341 770 HA MET 103 HA MET 103 0.341 9.076 5.988 771 HB2 MET 103 1HB MET 103 1.260 9.112 8.517 772 HB3 MET 103 2HB MET 103 2.215 10.441 7.928 773 HG2 MET 103 1HG MET 103 0.352 11.550 8.679 774 HG3 MET 103 2HG MET 103 -0.140 11.302 7.009 775 HE1 MET 103 3HE MET 103 -2.193 9.830 6.259 776 HE2 MET 103 1HE MET 103 -3.531 9.829 7.431 777 HE3 MET 103 2HE MET 103 -2.670 11.340 7.070 778 H ASP 104 H ASP 104 3.812 9.410 5.768 779 HA ASP 104 HA ASP 104 3.866 12.068 4.536 780 HB2 ASP 104 1HB ASP 104 5.711 10.698 5.948 781 HB3 ASP 104 2HB ASP 104 6.130 10.057 4.378 782 H ALA 105 H ALA 105 4.294 8.631 3.665 783 HA ALA 105 HA ALA 105 4.811 8.857 0.937 784 HB1 ALA 105 1HB ALA 105 3.179 6.622 2.251 785 HB2 ALA 105 2HB ALA 105 4.192 6.511 0.812 786 HB3 ALA 105 3HB ALA 105 4.933 6.733 2.413 787 H ILE 106 H ILE 106 1.573 8.471 2.492 788 HA ILE 106 HA ILE 106 0.140 8.313 0.051 789 HB ILE 106 HB ILE 106 -0.727 9.487 2.713 790 HG12 ILE 106 1HG1 ILE 106 -0.031 7.158 2.972 791 HG13 ILE 106 2HG1 ILE 106 -1.741 7.398 3.229 792 HG21 ILE 106 1HG2 ILE 106 -2.286 10.236 1.020 793 HG22 ILE 106 2HG2 ILE 106 -2.456 8.608 0.360 794 HG23 ILE 106 3HG2 ILE 106 -3.060 8.992 1.994 795 HD11 ILE 106 3HD1 ILE 106 -2.295 6.382 1.111 796 HD12 ILE 106 1HD1 ILE 106 -0.549 6.206 0.723 797 HD13 ILE 106 2HD1 ILE 106 -1.261 5.316 2.074 798 H ASP 107 H ASP 107 1.187 11.174 1.970 799 HA ASP 107 HA ASP 107 -0.218 13.105 0.328 800 HB2 ASP 107 1HB ASP 107 0.778 13.085 2.848 801 HB3 ASP 107 2HB ASP 107 2.100 13.894 2.040 802 H PHE 108 H PHE 108 2.918 11.690 0.362 803 HA PHE 108 HA PHE 108 4.137 13.418 -1.617 804 HB2 PHE 108 1HB PHE 108 5.493 11.916 -0.155 805 HB3 PHE 108 2HB PHE 108 4.814 10.527 -0.961 806 HD1 PHE 108 1HD PHE 108 6.061 13.775 -2.503 807 HD2 PHE 108 2HD PHE 108 6.653 9.509 -2.062 808 HE1 PHE 108 1HE PHE 108 7.760 13.824 -4.258 809 HE2 PHE 108 2HE PHE 108 8.377 9.585 -3.823 810 HZ PHE 108 HZ PHE 108 8.954 11.748 -4.921 811 H LEU 109 H LEU 109 3.062 9.969 -2.117 812 HA LEU 109 HA LEU 109 2.941 9.935 -4.811 813 HB2 LEU 109 1HB LEU 109 1.409 8.485 -2.615 814 HB3 LEU 109 2HB LEU 109 1.183 8.153 -4.330 815 HG LEU 109 HG LEU 109 3.597 7.712 -4.566 816 HD11 LEU 109 1HD1 LEU 109 4.553 8.703 -2.553 817 HD12 LEU 109 2HD1 LEU 109 5.027 7.046 -2.890 818 HD13 LEU 109 3HD1 LEU 109 3.832 7.364 -1.608 819 HD21 LEU 109 3HD2 LEU 109 1.947 6.012 -2.646 820 HD22 LEU 109 1HD2 LEU 109 3.390 5.406 -3.511 821 HD23 LEU 109 2HD2 LEU 109 1.958 5.898 -4.426 822 H ASN 110 H ASN 110 0.121 10.781 -2.677 823 HA ASN 110 HA ASN 110 -1.647 11.089 -4.925 824 HB2 ASN 110 1HB ASN 110 -1.788 11.992 -2.028 825 HB3 ASN 110 2HB ASN 110 -2.900 12.649 -3.180 826 HD21 ASN 110 1HD2 ASN 110 -2.652 9.455 -4.379 827 HD22 ASN 110 2HD2 ASN 110 -4.004 8.871 -3.427 828 H ALA 111 H ALA 111 0.962 13.142 -3.965 829 HA ALA 111 HA ALA 111 -0.272 15.465 -5.359 830 HB1 ALA 111 1HB ALA 111 2.124 15.178 -3.530 831 HB2 ALA 111 2HB ALA 111 1.711 16.675 -4.370 832 HB3 ALA 111 3HB ALA 111 0.593 15.990 -3.170 833 H LEU 112 H LEU 112 1.659 12.755 -6.051 834 HA LEU 112 HA LEU 112 3.254 14.081 -8.176 835 HB2 LEU 112 1HB LEU 112 3.013 11.161 -7.286 836 HB3 LEU 112 2HB LEU 112 4.037 11.736 -8.584 837 HG LEU 112 HG LEU 112 4.352 12.504 -5.660 838 HD11 LEU 112 1HD1 LEU 112 6.315 10.998 -5.748 839 HD12 LEU 112 2HD1 LEU 112 5.878 10.530 -7.398 840 HD13 LEU 112 3HD1 LEU 112 4.817 10.124 -6.048 841 HD21 LEU 112 3HD2 LEU 112 6.549 13.387 -6.371 842 HD22 LEU 112 1HD2 LEU 112 5.208 14.257 -7.125 843 HD23 LEU 112 2HD2 LEU 112 6.116 13.063 -8.065 844 H GLU 113 H GLU 113 0.684 11.640 -7.672 845 HA GLU 113 HA GLU 113 0.422 11.132 -10.494 846 HB2 GLU 113 1HB GLU 113 -1.253 9.563 -9.898 847 HB3 GLU 113 2HB GLU 113 0.084 9.433 -8.762 848 HG2 GLU 113 1HG GLU 113 -1.332 10.937 -7.188 849 HG3 GLU 113 2HG GLU 113 -2.681 10.601 -8.284 850 H GLY 114 H GLY 114 -1.336 11.604 -11.894 851 HA2 GLY 114 1HA GLY 114 -3.531 12.951 -12.021 852 HA3 GLY 114 2HA GLY 114 -2.529 14.224 -11.300 Start of MODEL 5 1 H1 MET 1 H MET 1 -12.529 -11.245 15.056 2 HA MET 1 HA MET 1 -12.933 -8.861 15.512 3 HB2 MET 1 1HB MET 1 -10.490 -8.547 14.127 4 HB3 MET 1 2HB MET 1 -11.745 -7.891 13.064 5 HG2 MET 1 1HG MET 1 -11.511 -6.018 14.216 6 HG3 MET 1 2HG MET 1 -12.533 -6.784 15.404 7 HE1 MET 1 3HE MET 1 -11.484 -8.010 17.655 8 HE2 MET 1 1HE MET 1 -10.357 -8.952 16.637 9 HE3 MET 1 2HE MET 1 -9.740 -8.024 18.013 10 H GLY 2 H GLY 2 -12.469 -10.106 12.133 11 HA2 GLY 2 1HA GLY 2 -14.411 -11.244 11.201 12 HA3 GLY 2 2HA GLY 2 -15.397 -9.838 11.640 13 H ALA 3 H ALA 3 -14.422 -11.125 8.992 14 HA ALA 3 HA ALA 3 -13.044 -8.813 7.743 15 HB1 ALA 3 1HB ALA 3 -13.479 -11.645 6.700 16 HB2 ALA 3 2HB ALA 3 -12.487 -10.362 5.969 17 HB3 ALA 3 3HB ALA 3 -12.001 -11.054 7.510 18 H GLY 4 H GLY 4 -13.999 -9.491 5.059 19 HA2 GLY 4 1HA GLY 4 -16.358 -9.924 4.289 20 HA3 GLY 4 2HA GLY 4 -16.808 -8.523 5.242 21 H GLN 5 H GLN 5 -15.463 -6.483 4.741 22 HA GLN 5 HA GLN 5 -15.591 -6.091 1.789 23 HB2 GLN 5 1HB GLN 5 -16.756 -4.326 3.995 24 HB3 GLN 5 2HB GLN 5 -16.807 -4.005 2.263 25 HG2 GLN 5 1HG GLN 5 -18.913 -4.818 2.648 26 HG3 GLN 5 2HG GLN 5 -18.073 -6.229 2.022 27 HE21 GLN 5 1HE2 GLN 5 -18.795 -8.043 3.127 28 HE22 GLN 5 2HE2 GLN 5 -18.981 -8.135 4.888 29 H THR 6 H THR 6 -13.360 -6.187 3.899 30 HA THR 6 HA THR 6 -11.795 -3.840 3.031 31 HB THR 6 HB THR 6 -11.165 -3.916 5.695 32 HG1 THR 6 1HG THR 6 -13.933 -3.953 5.932 33 HG21 THR 6 3HG2 THR 6 -13.436 -2.276 4.545 34 HG22 THR 6 1HG2 THR 6 -11.714 -1.923 4.331 35 HG23 THR 6 2HG2 THR 6 -12.413 -1.892 5.959 36 HA PRO 7 HA PRO 7 -8.762 -6.728 2.591 37 HB2 PRO 7 1HB PRO 7 -6.345 -5.691 3.383 38 HB3 PRO 7 2HB PRO 7 -7.277 -5.082 1.985 39 HG2 PRO 7 1HG PRO 7 -7.188 -3.947 4.791 40 HG3 PRO 7 2HG PRO 7 -7.083 -3.070 3.233 41 HD2 PRO 7 1HD PRO 7 -9.398 -3.276 4.659 42 HD3 PRO 7 2HD PRO 7 -9.370 -3.233 2.880 43 H HIS 8 H HIS 8 -7.991 -5.353 5.847 44 HA HIS 8 HA HIS 8 -8.434 -7.924 7.121 45 HB2 HIS 8 1HB HIS 8 -5.881 -7.508 6.545 46 HB3 HIS 8 2HB HIS 8 -5.950 -6.260 7.764 47 HD1 HIS 8 1HD HIS 8 -4.898 -7.310 9.939 48 HD2 HIS 8 2HD HIS 8 -7.194 -9.988 7.629 49 HE1 HIS 8 1HE HIS 8 -5.114 -9.431 11.308 50 HA PRO 9 HA PRO 9 -10.255 -4.731 9.665 51 HB2 PRO 9 1HB PRO 9 -10.606 -5.943 12.106 52 HB3 PRO 9 2HB PRO 9 -11.606 -6.293 10.666 53 HG2 PRO 9 1HG PRO 9 -9.225 -7.856 11.708 54 HG3 PRO 9 2HG PRO 9 -10.801 -8.477 11.113 55 HD2 PRO 9 1HD PRO 9 -8.605 -8.448 9.555 56 HD3 PRO 9 2HD PRO 9 -10.231 -8.145 8.890 57 H GLN 10 H GLN 10 -7.318 -6.318 10.855 58 HA GLN 10 HA GLN 10 -6.742 -4.239 12.844 59 HB2 GLN 10 1HB GLN 10 -5.114 -6.562 11.762 60 HB3 GLN 10 2HB GLN 10 -4.535 -5.479 13.009 61 HG2 GLN 10 1HG GLN 10 -7.180 -6.927 13.407 62 HG3 GLN 10 2HG GLN 10 -5.645 -7.753 13.666 63 HE21 GLN 10 1HE2 GLN 10 -7.846 -5.277 15.055 64 HE22 GLN 10 2HE2 GLN 10 -6.919 -5.271 16.564 65 H LEU 11 H LEU 11 -6.390 -4.362 9.405 66 HA LEU 11 HA LEU 11 -4.035 -2.746 9.112 67 HB2 LEU 11 1HB LEU 11 -5.122 -3.876 7.248 68 HB3 LEU 11 2HB LEU 11 -6.620 -2.995 7.512 69 HG LEU 11 HG LEU 11 -4.352 -1.148 7.179 70 HD11 LEU 11 1HD1 LEU 11 -5.033 -3.007 4.918 71 HD12 LEU 11 2HD1 LEU 11 -3.488 -2.983 5.789 72 HD13 LEU 11 3HD1 LEU 11 -3.960 -1.588 4.810 73 HD21 LEU 11 3HD2 LEU 11 -6.726 -0.460 7.047 74 HD22 LEU 11 1HD2 LEU 11 -6.923 -1.470 5.601 75 HD23 LEU 11 2HD2 LEU 11 -5.824 -0.078 5.579 76 H ILE 12 H ILE 12 -3.714 -0.626 9.577 77 HA ILE 12 HA ILE 12 -6.081 1.072 10.294 78 HB ILE 12 HB ILE 12 -3.186 1.344 11.151 79 HG12 ILE 12 1HG1 ILE 12 -4.070 -0.586 12.288 80 HG13 ILE 12 2HG1 ILE 12 -3.920 0.749 13.418 81 HG21 ILE 12 1HG2 ILE 12 -4.023 3.017 12.722 82 HG22 ILE 12 2HG2 ILE 12 -4.273 3.501 11.053 83 HG23 ILE 12 3HG2 ILE 12 -5.653 2.898 12.009 84 HD11 ILE 12 3HD1 ILE 12 -6.511 -0.287 12.195 85 HD12 ILE 12 1HD1 ILE 12 -5.937 -0.499 13.853 86 HD13 ILE 12 2HD1 ILE 12 -6.385 1.114 13.281 87 H TRP 13 H TRP 13 -6.611 2.334 8.628 88 HA TRP 13 HA TRP 13 -5.030 2.881 6.370 89 HB2 TRP 13 1HB TRP 13 -7.250 4.617 7.500 90 HB3 TRP 13 2HB TRP 13 -6.695 4.579 5.858 91 HD1 TRP 13 HD TRP 13 -9.168 2.925 8.098 92 HE1 TRP 13 1HE TRP 13 -10.416 1.061 6.846 93 HE3 TRP 13 3HE TRP 13 -6.281 2.716 3.878 94 HZ2 TRP 13 2HZ TRP 13 -9.897 -0.642 4.559 95 HZ3 TRP 13 3HZ TRP 13 -6.646 0.918 2.213 96 HH2 TRP 13 HH TRP 13 -8.384 -0.787 2.561 97 HA PRO 14 HA PRO 14 -4.856 4.737 4.840 98 HB2 PRO 14 1HB PRO 14 -2.498 5.479 3.694 99 HB3 PRO 14 2HB PRO 14 -3.780 6.613 4.111 100 HG2 PRO 14 1HG PRO 14 -1.302 6.010 5.678 101 HG3 PRO 14 2HG PRO 14 -2.042 7.604 5.351 102 HD2 PRO 14 1HD PRO 14 -2.492 6.345 7.715 103 HD3 PRO 14 2HD PRO 14 -3.806 7.218 6.876 104 H ALA 15 H ALA 15 -3.679 3.535 2.968 105 HA ALA 15 HA ALA 15 -1.847 1.440 3.958 106 HB1 ALA 15 1HB ALA 15 -4.278 0.836 2.221 107 HB2 ALA 15 2HB ALA 15 -3.075 -0.328 2.789 108 HB3 ALA 15 3HB ALA 15 -4.152 0.481 3.955 109 H LEU 16 H LEU 16 -0.901 0.213 2.188 110 HA LEU 16 HA LEU 16 -0.402 1.718 -0.330 111 HB2 LEU 16 1HB LEU 16 1.594 0.723 1.749 112 HB3 LEU 16 2HB LEU 16 2.056 1.004 0.070 113 HG LEU 16 HG LEU 16 1.048 3.070 2.050 114 HD11 LEU 16 1HD1 LEU 16 3.361 3.967 1.756 115 HD12 LEU 16 2HD1 LEU 16 3.747 2.582 0.717 116 HD13 LEU 16 3HD1 LEU 16 3.343 2.331 2.430 117 HD21 LEU 16 3HD2 LEU 16 1.386 3.110 -0.940 118 HD22 LEU 16 1HD2 LEU 16 1.756 4.589 -0.021 119 HD23 LEU 16 2HD2 LEU 16 0.160 3.861 0.095 120 H LEU 17 H LEU 17 -1.140 0.363 -1.794 121 HA LEU 17 HA LEU 17 -0.606 -2.547 -1.718 122 HB2 LEU 17 1HB LEU 17 -2.634 -1.092 -2.779 123 HB3 LEU 17 2HB LEU 17 -1.517 -0.968 -4.096 124 HG LEU 17 HG LEU 17 -2.856 -2.564 -4.705 125 HD11 LEU 17 1HD1 LEU 17 -0.927 -3.445 -5.256 126 HD12 LEU 17 2HD1 LEU 17 -2.227 -4.607 -4.966 127 HD13 LEU 17 3HD1 LEU 17 -0.906 -4.473 -3.768 128 HD21 LEU 17 3HD2 LEU 17 -3.791 -2.940 -2.260 129 HD22 LEU 17 1HD2 LEU 17 -2.598 -4.231 -2.158 130 HD23 LEU 17 2HD2 LEU 17 -3.897 -4.318 -3.374 131 H LYS 18 H LYS 18 0.443 -3.420 -3.735 132 HA LYS 18 HA LYS 18 1.791 -1.680 -5.485 133 HB2 LYS 18 1HB LYS 18 3.430 -1.816 -3.452 134 HB3 LYS 18 2HB LYS 18 3.907 -3.364 -4.094 135 HG2 LYS 18 1HG LYS 18 3.817 -0.838 -5.722 136 HG3 LYS 18 2HG LYS 18 5.268 -1.379 -4.846 137 HD2 LYS 18 1HD LYS 18 3.924 -2.768 -7.190 138 HD3 LYS 18 2HD LYS 18 5.439 -1.882 -7.201 139 HE2 LYS 18 1HE LYS 18 6.642 -3.610 -6.492 140 HE3 LYS 18 2HE LYS 18 5.542 -3.934 -5.137 141 HZ1 LYS 18 3HZ LYS 18 4.110 -5.128 -6.621 142 HZ2 LYS 18 1HZ LYS 18 5.597 -5.809 -6.683 143 HZ3 LYS 18 2HZ LYS 18 5.088 -4.831 -7.905 144 H GLN 19 H GLN 19 0.446 -2.891 -6.868 145 HA GLN 19 HA GLN 19 0.070 -5.515 -6.783 146 HB2 GLN 19 1HB GLN 19 0.082 -3.785 -9.295 147 HB3 GLN 19 2HB GLN 19 -0.586 -5.426 -9.212 148 HG2 GLN 19 1HG GLN 19 -1.892 -4.551 -7.125 149 HG3 GLN 19 2HG GLN 19 -1.549 -2.940 -7.754 150 HE21 GLN 19 1HE2 GLN 19 -3.172 -6.030 -8.233 151 HE22 GLN 19 2HE2 GLN 19 -4.370 -5.318 -9.289 152 H GLN 20 H GLN 20 0.756 -7.408 -7.551 153 HA GLN 20 HA GLN 20 3.635 -7.598 -7.827 154 HB2 GLN 20 1HB GLN 20 3.430 -9.802 -7.343 155 HB3 GLN 20 2HB GLN 20 1.989 -9.163 -6.591 156 HG2 GLN 20 1HG GLN 20 1.203 -11.080 -7.542 157 HG3 GLN 20 2HG GLN 20 0.753 -9.889 -8.748 158 HE21 GLN 20 1HE2 GLN 20 0.847 -12.574 -9.506 159 HE22 GLN 20 2HE2 GLN 20 2.261 -12.829 -10.525 160 H GLY 21 H GLY 21 4.677 -7.301 -9.669 161 HA2 GLY 21 1HA GLY 21 5.039 -7.790 -12.019 162 HA3 GLY 21 2HA GLY 21 3.308 -7.864 -12.272 163 H CYS 22 H CYS 22 3.632 -5.161 -10.272 164 HA CYS 22 HA CYS 22 4.649 -3.405 -12.442 165 HB2 CYS 22 1HB CYS 22 2.001 -3.323 -11.316 166 HB3 CYS 22 2HB CYS 22 2.866 -1.995 -10.583 167 HG CYS 22 HG CYS 22 1.440 -1.330 -12.766 168 H ASN 23 H ASN 23 5.311 -1.259 -11.459 169 HA ASN 23 HA ASN 23 6.892 -1.706 -8.971 170 HB2 ASN 23 1HB ASN 23 7.478 0.384 -11.098 171 HB3 ASN 23 2HB ASN 23 8.495 -0.123 -9.837 172 HD21 ASN 23 1HD2 ASN 23 7.100 -1.140 -12.934 173 HD22 ASN 23 2HD2 ASN 23 8.220 -2.481 -13.177 174 H GLU 24 H GLU 24 4.185 -0.004 -10.395 175 HA GLU 24 HA GLU 24 4.533 2.426 -8.852 176 HB2 GLU 24 1HB GLU 24 3.355 2.172 -11.132 177 HB3 GLU 24 2HB GLU 24 2.010 1.441 -10.242 178 HG2 GLU 24 1HG GLU 24 1.977 3.545 -8.792 179 HG3 GLU 24 2HG GLU 24 3.213 4.223 -9.849 180 H LEU 25 H LEU 25 3.833 2.748 -6.787 181 HA LEU 25 HA LEU 25 2.331 0.658 -5.347 182 HB2 LEU 25 1HB LEU 25 3.499 3.327 -4.501 183 HB3 LEU 25 2HB LEU 25 2.604 2.239 -3.434 184 HG LEU 25 HG LEU 25 4.755 0.821 -4.796 185 HD11 LEU 25 1HD1 LEU 25 5.701 3.162 -4.593 186 HD12 LEU 25 2HD1 LEU 25 6.647 1.771 -4.041 187 HD13 LEU 25 3HD1 LEU 25 5.799 2.813 -2.868 188 HD21 LEU 25 3HD2 LEU 25 3.454 0.172 -2.628 189 HD22 LEU 25 1HD2 LEU 25 4.524 1.281 -1.799 190 HD23 LEU 25 2HD2 LEU 25 5.197 -0.119 -2.670 191 H LEU 26 H LEU 26 0.472 1.234 -4.203 192 HA LEU 26 HA LEU 26 -1.237 3.240 -5.562 193 HB2 LEU 26 1HB LEU 26 -1.546 0.569 -5.881 194 HB3 LEU 26 2HB LEU 26 -2.671 0.874 -4.559 195 HG LEU 26 HG LEU 26 -3.752 0.986 -6.695 196 HD11 LEU 26 1HD1 LEU 26 -4.921 3.093 -6.511 197 HD12 LEU 26 2HD1 LEU 26 -3.638 3.784 -5.512 198 HD13 LEU 26 3HD1 LEU 26 -4.613 2.423 -4.903 199 HD21 LEU 26 3HD2 LEU 26 -2.105 3.415 -7.498 200 HD22 LEU 26 1HD2 LEU 26 -3.309 2.539 -8.442 201 HD23 LEU 26 2HD2 LEU 26 -1.766 1.764 -8.045 202 HA PRO 27 HA PRO 27 -1.298 4.583 -1.164 203 HB2 PRO 27 1HB PRO 27 -1.953 7.163 -1.638 204 HB3 PRO 27 2HB PRO 27 -0.294 6.552 -1.912 205 HG2 PRO 27 1HG PRO 27 -2.488 6.986 -3.959 206 HG3 PRO 27 2HG PRO 27 -0.761 7.459 -4.056 207 HD2 PRO 27 1HD PRO 27 -1.854 5.194 -5.165 208 HD3 PRO 27 2HD PRO 27 -0.160 5.273 -4.636 209 H LEU 28 H LEU 28 -3.062 4.032 0.031 210 HA LEU 28 HA LEU 28 -5.757 4.861 -0.950 211 HB2 LEU 28 1HB LEU 28 -5.083 2.565 0.939 212 HB3 LEU 28 2HB LEU 28 -6.674 3.161 0.541 213 HG LEU 28 HG LEU 28 -6.643 1.333 -0.747 214 HD11 LEU 28 1HD1 LEU 28 -6.479 1.806 -3.051 215 HD12 LEU 28 2HD1 LEU 28 -5.256 3.057 -2.782 216 HD13 LEU 28 3HD1 LEU 28 -6.927 3.320 -2.241 217 HD21 LEU 28 3HD2 LEU 28 -3.694 1.645 -1.179 218 HD22 LEU 28 1HD2 LEU 28 -4.696 0.413 -1.991 219 HD23 LEU 28 2HD2 LEU 28 -4.538 0.429 -0.222 220 H ARG 29 H ARG 29 -5.817 6.867 -0.038 221 HA ARG 29 HA ARG 29 -4.842 7.721 2.459 222 HB2 ARG 29 1HB ARG 29 -7.260 8.486 0.773 223 HB3 ARG 29 2HB ARG 29 -6.954 9.285 2.298 224 HG2 ARG 29 1HG ARG 29 -4.944 10.265 1.496 225 HG3 ARG 29 2HG ARG 29 -4.908 9.230 0.047 226 HD2 ARG 29 1HD ARG 29 -6.920 10.274 -0.828 227 HD3 ARG 29 2HD ARG 29 -7.151 11.214 0.642 228 HE ARG 29 HE ARG 29 -5.466 11.842 -1.593 229 HH11 ARG 29 1HH1 ARG 29 -5.785 12.423 1.929 230 HH12 ARG 29 2HH1 ARG 29 -4.755 13.824 1.885 231 HH21 ARG 29 1HH2 ARG 29 -4.405 13.727 -1.634 232 HH22 ARG 29 2HH2 ARG 29 -3.973 14.652 -0.213 233 H THR 30 H THR 30 -8.197 6.440 1.764 234 HA THR 30 HA THR 30 -8.144 5.304 4.471 235 HB THR 30 HB THR 30 -9.006 7.507 4.855 236 HG1 THR 30 1HG THR 30 -11.421 6.277 5.013 237 HG21 THR 30 3HG2 THR 30 -9.844 8.293 2.839 238 HG22 THR 30 1HG2 THR 30 -11.226 8.228 3.931 239 HG23 THR 30 2HG2 THR 30 -11.023 6.972 2.687 240 H ASN 31 H ASN 31 -10.449 4.308 4.741 241 HA ASN 31 HA ASN 31 -10.569 1.958 3.272 242 HB2 ASN 31 1HB ASN 31 -11.660 2.707 5.534 243 HB3 ASN 31 2HB ASN 31 -12.995 3.266 4.572 244 HD21 ASN 31 1HD2 ASN 31 -12.961 1.006 2.586 245 HD22 ASN 31 2HD2 ASN 31 -13.589 -0.334 3.550 246 H ASP 32 H ASP 32 -12.241 5.059 2.685 247 HA ASP 32 HA ASP 32 -14.013 4.140 0.608 248 HB2 ASP 32 1HB ASP 32 -14.659 6.186 1.340 249 HB3 ASP 32 2HB ASP 32 -13.019 6.761 1.616 250 H ASP 33 H ASP 33 -10.661 5.412 0.489 251 HA ASP 33 HA ASP 33 -10.484 5.508 -2.347 252 HB2 ASP 33 1HB ASP 33 -8.274 5.326 -0.273 253 HB3 ASP 33 2HB ASP 33 -8.079 5.828 -1.938 254 H TRP 34 H TRP 34 -10.052 2.949 -0.007 255 HA TRP 34 HA TRP 34 -8.905 1.049 -1.930 256 HB2 TRP 34 1HB TRP 34 -8.336 0.752 0.346 257 HB3 TRP 34 2HB TRP 34 -10.028 0.741 0.877 258 HD1 TRP 34 HD TRP 34 -10.862 -1.683 1.299 259 HE1 TRP 34 1HE TRP 34 -9.922 -4.053 0.758 260 HE3 TRP 34 3HE TRP 34 -7.227 -0.441 -2.083 261 HZ2 TRP 34 2HZ TRP 34 -7.489 -5.107 -0.383 262 HZ3 TRP 34 3HZ TRP 34 -5.628 -2.107 -2.860 263 HH2 TRP 34 HH TRP 34 -5.727 -4.463 -1.994 264 H GLN 35 H GLN 35 -12.161 1.735 -0.522 265 HA GLN 35 HA GLN 35 -13.473 -0.487 -1.738 266 HB2 GLN 35 1HB GLN 35 -14.646 2.245 -1.070 267 HB3 GLN 35 2HB GLN 35 -15.564 0.808 -1.524 268 HG2 GLN 35 1HG GLN 35 -13.944 -0.099 0.600 269 HG3 GLN 35 2HG GLN 35 -14.390 1.544 1.056 270 HE21 GLN 35 1HE2 GLN 35 -15.877 -1.615 0.048 271 HE22 GLN 35 2HE2 GLN 35 -17.346 -1.344 0.942 272 H ARG 36 H ARG 36 -12.943 2.848 -2.913 273 HA ARG 36 HA ARG 36 -14.017 2.796 -5.463 274 HB2 ARG 36 1HB ARG 36 -11.414 3.921 -4.404 275 HB3 ARG 36 2HB ARG 36 -11.895 4.184 -6.079 276 HG2 ARG 36 1HG ARG 36 -13.740 5.474 -5.538 277 HG3 ARG 36 2HG ARG 36 -13.877 4.822 -3.908 278 HD2 ARG 36 1HD ARG 36 -12.529 6.431 -3.050 279 HD3 ARG 36 2HD ARG 36 -11.261 6.098 -4.238 280 HE ARG 36 HE ARG 36 -11.829 7.866 -5.459 281 HH11 ARG 36 1HH1 ARG 36 -14.351 7.472 -2.952 282 HH12 ARG 36 2HH1 ARG 36 -15.357 8.727 -3.641 283 HH21 ARG 36 1HH2 ARG 36 -13.172 9.465 -6.305 284 HH22 ARG 36 2HH2 ARG 36 -14.583 10.019 -5.452 285 H PHE 37 H PHE 37 -10.832 1.397 -4.521 286 HA PHE 37 HA PHE 37 -9.951 0.884 -7.103 287 HB2 PHE 37 1HB PHE 37 -8.604 0.716 -4.978 288 HB3 PHE 37 2HB PHE 37 -9.340 -0.860 -4.679 289 HD1 PHE 37 1HD PHE 37 -9.129 -2.665 -6.605 290 HD2 PHE 37 2HD PHE 37 -6.649 0.871 -6.326 291 HE1 PHE 37 1HE PHE 37 -7.629 -3.578 -8.289 292 HE2 PHE 37 2HE PHE 37 -5.107 -0.119 -8.000 293 HZ PHE 37 HZ PHE 37 -5.590 -2.339 -8.993 294 H CYS 38 H CYS 38 -11.702 -1.340 -4.928 295 HA CYS 38 HA CYS 38 -12.004 -3.444 -6.945 296 HB2 CYS 38 1HB CYS 38 -11.740 -3.832 -4.492 297 HB3 CYS 38 2HB CYS 38 -13.288 -3.011 -4.203 298 HG CYS 38 HG CYS 38 -12.586 -5.839 -5.797 299 H ALA 39 H ALA 39 -13.921 -0.644 -5.832 300 HA ALA 39 HA ALA 39 -16.435 -1.432 -6.936 301 HB1 ALA 39 1HB ALA 39 -15.308 1.376 -6.488 302 HB2 ALA 39 2HB ALA 39 -17.002 0.947 -6.759 303 HB3 ALA 39 3HB ALA 39 -16.187 0.414 -5.284 304 H ASP 40 H ASP 40 -13.452 -0.163 -8.395 305 HA ASP 40 HA ASP 40 -14.793 0.630 -10.824 306 HB2 ASP 40 1HB ASP 40 -12.516 1.453 -9.688 307 HB3 ASP 40 2HB ASP 40 -11.861 0.255 -10.807 308 H SER 41 H SER 41 -15.837 -1.491 -10.882 309 HA SER 41 HA SER 41 -16.256 -3.492 -11.852 310 HB2 SER 41 1HB SER 41 -15.913 -2.011 -13.847 311 HB3 SER 41 2HB SER 41 -14.231 -2.581 -13.925 312 HG SER 41 HG SER 41 -14.994 -4.647 -14.199 313 H LYS 42 H LYS 42 -14.345 -3.731 -9.755 314 HA LYS 42 HA LYS 42 -12.568 -4.855 -8.991 315 HB2 LYS 42 1HB LYS 42 -13.592 -7.094 -10.707 316 HB3 LYS 42 2HB LYS 42 -12.606 -7.212 -9.234 317 HG2 LYS 42 1HG LYS 42 -14.460 -6.429 -7.861 318 HG3 LYS 42 2HG LYS 42 -15.447 -6.136 -9.304 319 HD2 LYS 42 1HD LYS 42 -14.442 -8.882 -8.493 320 HD3 LYS 42 2HD LYS 42 -16.043 -8.230 -8.110 321 HE2 LYS 42 1HE LYS 42 -16.360 -7.815 -10.622 322 HE3 LYS 42 2HE LYS 42 -14.892 -8.773 -10.876 323 HZ1 LYS 42 3HZ LYS 42 -16.756 -10.171 -11.103 324 HZ2 LYS 42 1HZ LYS 42 -17.444 -9.668 -9.715 325 HZ3 LYS 42 2HZ LYS 42 -16.041 -10.583 -9.675 326 H HIS 43 H HIS 43 -11.813 -3.143 -10.885 327 HA HIS 43 HA HIS 43 -9.808 -3.908 -12.597 328 HB2 HIS 43 1HB HIS 43 -10.339 -1.599 -11.526 329 HB3 HIS 43 2HB HIS 43 -9.254 -2.098 -10.229 330 HD1 HIS 43 1HD HIS 43 -9.214 -0.190 -13.360 331 HD2 HIS 43 2HD HIS 43 -6.575 -2.762 -11.268 332 HE1 HIS 43 1HE HIS 43 -6.888 0.255 -14.259 333 H LEU 44 H LEU 44 -7.606 -4.561 -12.296 334 HA LEU 44 HA LEU 44 -7.429 -6.981 -11.411 335 HB2 LEU 44 1HB LEU 44 -5.883 -5.202 -12.789 336 HB3 LEU 44 2HB LEU 44 -4.974 -5.266 -11.349 337 HG LEU 44 HG LEU 44 -3.948 -6.581 -12.805 338 HD11 LEU 44 1HD1 LEU 44 -5.362 -8.511 -10.907 339 HD12 LEU 44 2HD1 LEU 44 -4.011 -7.450 -10.440 340 HD13 LEU 44 3HD1 LEU 44 -3.768 -8.716 -11.659 341 HD21 LEU 44 3HD2 LEU 44 -5.853 -6.880 -14.160 342 HD22 LEU 44 1HD2 LEU 44 -6.532 -8.088 -13.025 343 HD23 LEU 44 2HD2 LEU 44 -5.006 -8.436 -13.911 344 H LEU 45 H LEU 45 -7.437 -8.070 -9.597 345 HA LEU 45 HA LEU 45 -5.704 -7.180 -7.390 346 HB2 LEU 45 1HB LEU 45 -8.593 -8.123 -7.099 347 HB3 LEU 45 2HB LEU 45 -7.457 -8.058 -5.767 348 HG LEU 45 HG LEU 45 -8.106 -5.620 -7.448 349 HD11 LEU 45 1HD1 LEU 45 -9.493 -6.552 -4.918 350 HD12 LEU 45 2HD1 LEU 45 -10.190 -6.385 -6.547 351 HD13 LEU 45 3HD1 LEU 45 -9.679 -4.945 -5.662 352 HD21 LEU 45 3HD2 LEU 45 -7.325 -4.398 -5.384 353 HD22 LEU 45 1HD2 LEU 45 -6.038 -5.402 -6.086 354 HD23 LEU 45 2HD2 LEU 45 -6.898 -5.959 -4.653 355 H GLN 46 H GLN 46 -4.245 -8.799 -7.392 356 HA GLN 46 HA GLN 46 -5.177 -11.585 -7.998 357 HB2 GLN 46 1HB GLN 46 -3.348 -12.012 -9.345 358 HB3 GLN 46 2HB GLN 46 -3.961 -10.458 -9.882 359 HG2 GLN 46 1HG GLN 46 -2.105 -9.685 -7.980 360 HG3 GLN 46 2HG GLN 46 -1.420 -11.189 -8.565 361 HE21 GLN 46 1HE2 GLN 46 -1.504 -7.870 -9.023 362 HE22 GLN 46 2HE2 GLN 46 -0.934 -7.794 -10.684 363 H TYR 47 H TYR 47 -3.713 -13.251 -7.128 364 HA TYR 47 HA TYR 47 -3.285 -12.898 -4.339 365 HB2 TYR 47 1HB TYR 47 -2.030 -14.990 -6.155 366 HB3 TYR 47 2HB TYR 47 -2.350 -15.125 -4.423 367 HD1 TYR 47 2HD TYR 47 -5.115 -14.249 -4.108 368 HD2 TYR 47 1HD TYR 47 -3.371 -16.647 -7.241 369 HE1 TYR 47 2HE TYR 47 -7.325 -15.237 -4.560 370 HE2 TYR 47 1HE TYR 47 -5.589 -17.575 -7.758 371 HH TYR 47 HH TYR 47 -8.548 -16.770 -5.849 372 H GLY 48 H GLY 48 -1.505 -12.490 -3.188 373 HA2 GLY 48 1HA GLY 48 0.717 -12.016 -2.740 374 HA3 GLY 48 2HA GLY 48 1.101 -12.319 -4.442 375 H ASP 49 H ASP 49 -1.400 -9.974 -4.222 376 HA ASP 49 HA ASP 49 0.246 -8.068 -5.488 377 HB2 ASP 49 1HB ASP 49 -2.528 -8.294 -4.543 378 HB3 ASP 49 2HB ASP 49 -1.963 -6.661 -4.474 379 H LYS 50 H LYS 50 -0.454 -8.445 -2.143 380 HA LYS 50 HA LYS 50 0.662 -7.869 -0.283 381 HB2 LYS 50 1HB LYS 50 2.727 -7.572 -1.772 382 HB3 LYS 50 2HB LYS 50 2.319 -5.882 -1.884 383 HG2 LYS 50 1HG LYS 50 2.833 -5.353 0.285 384 HG3 LYS 50 2HG LYS 50 2.529 -6.957 0.903 385 HD2 LYS 50 1HD LYS 50 4.919 -6.409 -0.863 386 HD3 LYS 50 2HD LYS 50 4.934 -6.180 0.893 387 HE2 LYS 50 1HE LYS 50 4.204 -8.528 1.240 388 HE3 LYS 50 2HE LYS 50 4.224 -8.784 -0.517 389 HZ1 LYS 50 3HZ LYS 50 6.583 -8.282 -0.481 390 HZ2 LYS 50 1HZ LYS 50 6.260 -9.539 0.541 391 HZ3 LYS 50 2HZ LYS 50 6.558 -8.042 1.138 392 H LEU 51 H LEU 51 0.406 -6.307 1.346 393 HA LEU 51 HA LEU 51 -0.474 -3.589 0.614 394 HB2 LEU 51 1HB LEU 51 -2.433 -5.357 1.326 395 HB3 LEU 51 2HB LEU 51 -1.824 -4.896 2.930 396 HG LEU 51 HG LEU 51 -2.302 -2.551 2.497 397 HD11 LEU 51 1HD1 LEU 51 -3.681 -3.405 -0.085 398 HD12 LEU 51 2HD1 LEU 51 -2.132 -2.548 -0.077 399 HD13 LEU 51 3HD1 LEU 51 -3.552 -1.764 0.576 400 HD21 LEU 51 3HD2 LEU 51 -3.990 -4.223 3.380 401 HD22 LEU 51 1HD2 LEU 51 -4.690 -4.326 1.770 402 HD23 LEU 51 2HD2 LEU 51 -4.698 -2.777 2.671 403 H VAL 52 H VAL 52 -0.026 -2.125 2.267 404 HA VAL 52 HA VAL 52 1.287 -3.016 4.721 405 HB VAL 52 HB VAL 52 2.300 -1.012 2.695 406 HG11 VAL 52 1HG1 VAL 52 2.984 -1.115 5.663 407 HG12 VAL 52 2HG1 VAL 52 3.899 -0.224 4.416 408 HG13 VAL 52 3HG1 VAL 52 2.256 0.245 4.783 409 HG21 VAL 52 3HG2 VAL 52 3.211 -3.276 2.532 410 HG22 VAL 52 1HG2 VAL 52 4.451 -2.198 3.165 411 HG23 VAL 52 2HG2 VAL 52 3.575 -3.277 4.268 412 H ASP 53 H ASP 53 0.463 -1.869 6.487 413 HA ASP 53 HA ASP 53 -1.418 0.369 5.945 414 HB2 ASP 53 1HB ASP 53 -2.520 -0.111 7.876 415 HB3 ASP 53 2HB ASP 53 -2.157 -1.702 7.255 416 H SER 54 H SER 54 -1.425 1.944 7.900 417 HA SER 54 HA SER 54 1.116 3.273 7.886 418 HB2 SER 54 1HB SER 54 -1.616 3.837 8.815 419 HB3 SER 54 2HB SER 54 -0.390 4.469 9.915 420 HG SER 54 HG SER 54 0.567 5.596 8.272 421 H ASN 55 H ASN 55 0.381 0.621 9.777 422 HA ASN 55 HA ASN 55 2.077 1.483 12.075 423 HB2 ASN 55 1HB ASN 55 0.680 -1.155 11.536 424 HB3 ASN 55 2HB ASN 55 1.612 -0.780 12.951 425 HD21 ASN 55 1HD2 ASN 55 -1.509 -0.751 11.605 426 HD22 ASN 55 2HD2 ASN 55 -2.260 0.129 12.925 427 H PHE 56 H PHE 56 2.396 0.349 8.921 428 HA PHE 56 HA PHE 56 4.010 -0.499 7.706 429 HB2 PHE 56 1HB PHE 56 5.759 -0.566 10.191 430 HB3 PHE 56 2HB PHE 56 6.242 -1.157 8.645 431 HD1 PHE 56 2HD PHE 56 4.510 2.079 9.724 432 HD2 PHE 56 1HD PHE 56 7.803 0.184 7.646 433 HE1 PHE 56 2HE PHE 56 5.309 4.260 9.008 434 HE2 PHE 56 1HE PHE 56 8.617 2.402 6.968 435 HZ PHE 56 HZ PHE 56 7.409 4.452 7.617 436 H HIS 57 H HIS 57 1.852 -2.054 9.263 437 HA HIS 57 HA HIS 57 2.892 -4.776 9.510 438 HB2 HIS 57 1HB HIS 57 0.068 -3.786 9.026 439 HB3 HIS 57 2HB HIS 57 0.543 -5.397 9.527 440 HD1 HIS 57 1HD HIS 57 -1.377 -3.052 10.989 441 HD2 HIS 57 2HD HIS 57 2.478 -4.390 12.032 442 HE1 HIS 57 1HE HIS 57 -1.261 -2.925 13.523 443 H CYS 58 H CYS 58 3.596 -5.920 7.685 444 HA CYS 58 HA CYS 58 2.519 -5.212 5.038 445 HB2 CYS 58 1HB CYS 58 4.481 -7.359 5.965 446 HB3 CYS 58 2HB CYS 58 4.032 -7.047 4.282 447 HG CYS 58 HG CYS 58 6.384 -6.106 4.738 448 H PHE 59 H PHE 59 1.400 -6.764 3.746 449 HA PHE 59 HA PHE 59 0.250 -9.179 5.018 450 HB2 PHE 59 1HB PHE 59 -1.312 -6.992 3.585 451 HB3 PHE 59 2HB PHE 59 -1.977 -8.516 4.117 452 HD1 PHE 59 2HD PHE 59 -2.208 -8.982 6.606 453 HD2 PHE 59 1HD PHE 59 -0.929 -5.143 5.110 454 HE1 PHE 59 2HE PHE 59 -2.489 -7.994 8.874 455 HE2 PHE 59 1HE PHE 59 -1.303 -4.144 7.321 456 HZ PHE 59 HZ PHE 59 -1.937 -5.569 9.247 457 H VAL 60 H VAL 60 -0.685 -10.597 3.386 458 HA VAL 60 HA VAL 60 0.152 -10.220 0.580 459 HB VAL 60 HB VAL 60 0.407 -12.612 2.449 460 HG11 VAL 60 1HG1 VAL 60 -0.715 -13.680 0.550 461 HG12 VAL 60 2HG1 VAL 60 0.320 -12.771 -0.598 462 HG13 VAL 60 3HG1 VAL 60 0.991 -14.027 0.457 463 HG21 VAL 60 3HG2 VAL 60 2.669 -12.694 1.502 464 HG22 VAL 60 1HG2 VAL 60 2.276 -11.380 0.365 465 HG23 VAL 60 2HG2 VAL 60 2.342 -11.073 2.108 466 H LEU 61 H LEU 61 -1.335 -11.452 -0.815 467 HA LEU 61 HA LEU 61 -4.064 -11.745 0.324 468 HB2 LEU 61 1HB LEU 61 -3.950 -9.856 -1.403 469 HB3 LEU 61 2HB LEU 61 -3.401 -11.039 -2.573 470 HG LEU 61 HG LEU 61 -5.520 -12.378 -2.135 471 HD11 LEU 61 1HD1 LEU 61 -5.964 -10.775 0.075 472 HD12 LEU 61 2HD1 LEU 61 -7.206 -11.704 -0.749 473 HD13 LEU 61 3HD1 LEU 61 -6.977 -9.990 -1.123 474 HD21 LEU 61 3HD2 LEU 61 -6.936 -10.908 -3.532 475 HD22 LEU 61 1HD2 LEU 61 -5.279 -11.007 -4.113 476 HD23 LEU 61 2HD2 LEU 61 -5.848 -9.560 -3.216 477 H GLU 62 H GLU 62 -4.717 -13.721 0.230 478 HA GLU 62 HA GLU 62 -3.191 -15.841 -1.140 479 HB2 GLU 62 1HB GLU 62 -4.979 -15.737 1.308 480 HB3 GLU 62 2HB GLU 62 -4.236 -17.186 0.654 481 HG2 GLU 62 1HG GLU 62 -2.849 -16.445 2.326 482 HG3 GLU 62 2HG GLU 62 -1.984 -16.075 0.848 483 H GLU 63 H GLU 63 -4.938 -17.954 -1.252 484 HA GLU 63 HA GLU 63 -6.741 -17.283 -3.416 485 HB2 GLU 63 1HB GLU 63 -6.779 -19.927 -1.981 486 HB3 GLU 63 2HB GLU 63 -7.092 -19.534 -3.667 487 HG2 GLU 63 1HG GLU 63 -5.108 -20.550 -3.915 488 HG3 GLU 63 2HG GLU 63 -4.488 -18.918 -3.649 489 H ASP 64 H ASP 64 -7.096 -17.357 -0.026 490 HA ASP 64 HA ASP 64 -9.671 -18.565 0.310 491 HB2 ASP 64 1HB ASP 64 -7.548 -18.201 1.877 492 HB3 ASP 64 2HB ASP 64 -8.361 -16.697 2.279 493 H ALA 65 H ALA 65 -8.754 -15.555 -0.673 494 HA ALA 65 HA ALA 65 -9.573 -13.579 -1.108 495 HB1 ALA 65 1HB ALA 65 -11.793 -14.619 -1.654 496 HB2 ALA 65 2HB ALA 65 -12.280 -14.282 0.024 497 HB3 ALA 65 3HB ALA 65 -11.865 -12.945 -1.051 498 H HIS 66 H HIS 66 -8.447 -14.564 1.525 499 HA HIS 66 HA HIS 66 -8.976 -12.167 3.133 500 HB2 HIS 66 1HB HIS 66 -8.021 -13.182 5.045 501 HB3 HIS 66 2HB HIS 66 -9.330 -14.174 4.444 502 HD1 HIS 66 1HD HIS 66 -8.643 -16.512 5.193 503 HD2 HIS 66 2HD HIS 66 -5.569 -14.430 3.213 504 HE1 HIS 66 1HE HIS 66 -6.642 -18.090 5.104 505 H TRP 67 H TRP 67 -7.230 -11.153 4.206 506 HA TRP 67 HA TRP 67 -4.734 -11.203 2.624 507 HB2 TRP 67 1HB TRP 67 -5.995 -8.950 4.249 508 HB3 TRP 67 2HB TRP 67 -4.320 -8.973 3.773 509 HD1 TRP 67 HD TRP 67 -7.777 -8.789 2.059 510 HE1 TRP 67 1HE TRP 67 -7.493 -7.718 -0.268 511 HE3 TRP 67 3HE TRP 67 -2.737 -8.416 1.988 512 HZ2 TRP 67 2HZ TRP 67 -5.314 -6.838 -1.954 513 HZ3 TRP 67 3HZ TRP 67 -1.560 -7.716 0.022 514 HH2 TRP 67 HH TRP 67 -2.820 -6.816 -2.005 515 H HIS 68 H HIS 68 -3.469 -12.633 3.726 516 HA HIS 68 HA HIS 68 -3.644 -12.794 6.680 517 HB2 HIS 68 1HB HIS 68 -3.315 -14.722 4.728 518 HB3 HIS 68 2HB HIS 68 -1.668 -14.457 5.279 519 HD1 HIS 68 1HD HIS 68 -1.093 -16.205 7.074 520 HD2 HIS 68 2HD HIS 68 -5.129 -14.957 7.064 521 HE1 HIS 68 1HE HIS 68 -2.264 -17.511 8.943 522 HA PRO 69 HA PRO 69 -0.332 -10.049 7.200 523 HB2 PRO 69 1HB PRO 69 0.834 -10.708 9.536 524 HB3 PRO 69 2HB PRO 69 -0.900 -10.280 9.446 525 HG2 PRO 69 1HG PRO 69 0.298 -13.083 9.378 526 HG3 PRO 69 2HG PRO 69 -0.929 -12.465 10.515 527 HD2 PRO 69 1HD PRO 69 -1.631 -13.769 8.259 528 HD3 PRO 69 2HD PRO 69 -2.581 -12.345 8.776 529 H ALA 70 H ALA 70 1.870 -9.599 7.055 530 HA ALA 70 HA ALA 70 3.704 -11.846 6.413 531 HB1 ALA 70 1HB ALA 70 4.437 -10.637 4.456 532 HB2 ALA 70 2HB ALA 70 2.684 -10.850 4.386 533 HB3 ALA 70 3HB ALA 70 3.358 -9.274 4.838 534 H ALA 71 H ALA 71 3.401 -10.398 8.898 535 HA ALA 71 HA ALA 71 4.623 -9.639 10.572 536 HB1 ALA 71 1HB ALA 71 6.382 -11.147 9.478 537 HB2 ALA 71 2HB ALA 71 7.102 -9.666 8.810 538 HB3 ALA 71 3HB ALA 71 7.006 -9.906 10.556 539 HA PRO 72 HA PRO 72 5.020 -5.184 9.961 540 HB2 PRO 72 1HB PRO 72 6.741 -4.333 11.895 541 HB3 PRO 72 2HB PRO 72 5.082 -4.924 12.272 542 HG2 PRO 72 1HG PRO 72 7.689 -6.450 12.421 543 HG3 PRO 72 2HG PRO 72 6.387 -6.356 13.648 544 HD2 PRO 72 1HD PRO 72 6.609 -8.425 11.906 545 HD3 PRO 72 2HD PRO 72 5.020 -7.835 12.440 546 H LEU 73 H LEU 73 6.962 -3.464 9.746 547 HA LEU 73 HA LEU 73 9.155 -4.807 8.242 548 HB2 LEU 73 1HB LEU 73 7.062 -3.875 6.964 549 HB3 LEU 73 2HB LEU 73 7.752 -2.296 7.322 550 HG LEU 73 HG LEU 73 9.853 -2.962 6.132 551 HD11 LEU 73 1HD1 LEU 73 8.218 -5.275 5.004 552 HD12 LEU 73 2HD1 LEU 73 9.494 -5.496 6.201 553 HD13 LEU 73 3HD1 LEU 73 9.881 -4.839 4.604 554 HD21 LEU 73 3HD2 LEU 73 8.938 -2.699 3.860 555 HD22 LEU 73 1HD2 LEU 73 8.221 -1.571 5.019 556 HD23 LEU 73 2HD2 LEU 73 7.310 -3.002 4.476 557 HA PRO 74 HA PRO 74 11.829 -1.673 10.147 558 HB2 PRO 74 1HB PRO 74 13.761 -1.404 8.169 559 HB3 PRO 74 2HB PRO 74 13.702 -2.738 9.353 560 HG2 PRO 74 1HG PRO 74 12.636 -2.749 6.528 561 HG3 PRO 74 2HG PRO 74 13.688 -3.964 7.326 562 HD2 PRO 74 1HD PRO 74 11.057 -4.378 7.201 563 HD3 PRO 74 2HD PRO 74 11.911 -4.713 8.717 564 HA PRO 75 HA PRO 75 10.280 2.021 8.351 565 HB2 PRO 75 1HB PRO 75 12.207 3.922 8.860 566 HB3 PRO 75 2HB PRO 75 11.128 3.213 10.104 567 HG2 PRO 75 1HG PRO 75 13.970 2.409 9.415 568 HG3 PRO 75 2HG PRO 75 13.269 2.711 11.032 569 HD2 PRO 75 1HD PRO 75 13.509 0.193 10.048 570 HD3 PRO 75 2HD PRO 75 12.058 0.662 10.983 571 H GLU 76 H GLU 76 13.624 1.190 7.440 572 HA GLU 76 HA GLU 76 13.638 2.782 5.010 573 HB2 GLU 76 1HB GLU 76 15.822 1.681 4.664 574 HB3 GLU 76 2HB GLU 76 15.679 2.445 6.247 575 HG2 GLU 76 1HG GLU 76 15.230 0.271 7.319 576 HG3 GLU 76 2HG GLU 76 15.342 -0.502 5.732 577 H GLY 77 H GLY 77 12.180 -0.140 6.019 578 HA2 GLY 77 1HA GLY 77 12.351 -1.574 3.556 579 HA3 GLY 77 2HA GLY 77 11.195 -1.846 4.861 580 H LEU 78 H LEU 78 10.339 1.074 4.839 581 HA LEU 78 HA LEU 78 8.286 1.011 2.817 582 HB2 LEU 78 1HB LEU 78 7.945 2.299 4.830 583 HB3 LEU 78 2HB LEU 78 9.405 3.252 4.544 584 HG LEU 78 HG LEU 78 8.404 4.309 2.596 585 HD11 LEU 78 1HD1 LEU 78 5.911 2.682 3.300 586 HD12 LEU 78 2HD1 LEU 78 6.866 2.549 1.804 587 HD13 LEU 78 3HD1 LEU 78 5.958 4.026 2.137 588 HD21 LEU 78 3HD2 LEU 78 6.623 4.413 5.067 589 HD22 LEU 78 1HD2 LEU 78 6.711 5.654 3.799 590 HD23 LEU 78 2HD2 LEU 78 8.125 5.331 4.816 591 H ASN 79 H ASN 79 11.269 2.904 3.195 592 HA ASN 79 HA ASN 79 11.419 4.186 0.722 593 HB2 ASN 79 1HB ASN 79 13.366 3.422 2.827 594 HB3 ASN 79 2HB ASN 79 14.074 3.484 1.230 595 HD21 ASN 79 1HD2 ASN 79 11.986 5.566 3.486 596 HD22 ASN 79 2HD2 ASN 79 12.797 6.985 2.914 597 H ASP 80 H ASP 80 12.576 0.892 1.474 598 HA ASP 80 HA ASP 80 13.619 0.157 -1.068 599 HB2 ASP 80 1HB ASP 80 13.962 -1.054 1.085 600 HB3 ASP 80 2HB ASP 80 12.244 -1.429 1.146 601 H LEU 81 H LEU 81 10.214 0.042 0.093 602 HA LEU 81 HA LEU 81 9.307 -1.272 -2.372 603 HB2 LEU 81 1HB LEU 81 7.942 -0.001 0.030 604 HB3 LEU 81 2HB LEU 81 7.061 -0.122 -1.461 605 HG LEU 81 HG LEU 81 6.361 -1.929 -0.271 606 HD11 LEU 81 1HD1 LEU 81 6.895 -3.856 -1.561 607 HD12 LEU 81 2HD1 LEU 81 8.497 -3.223 -1.998 608 HD13 LEU 81 3HD1 LEU 81 7.013 -2.476 -2.663 609 HD21 LEU 81 3HD2 LEU 81 9.245 -2.632 0.277 610 HD22 LEU 81 1HD2 LEU 81 7.835 -3.601 0.786 611 HD23 LEU 81 2HD2 LEU 81 8.065 -1.967 1.438 612 H ILE 82 H ILE 82 9.110 1.999 -1.029 613 HA ILE 82 HA ILE 82 7.879 3.379 -3.122 614 HB ILE 82 HB ILE 82 9.951 4.276 -1.131 615 HG12 ILE 82 1HG1 ILE 82 7.616 3.325 -0.402 616 HG13 ILE 82 2HG1 ILE 82 8.238 4.773 0.320 617 HG21 ILE 82 1HG2 ILE 82 9.994 5.901 -2.906 618 HG22 ILE 82 2HG2 ILE 82 8.229 6.001 -2.960 619 HG23 ILE 82 3HG2 ILE 82 9.118 6.607 -1.556 620 HD11 ILE 82 3HD1 ILE 82 5.818 4.864 -0.229 621 HD12 ILE 82 1HD1 ILE 82 6.714 6.151 -1.035 622 HD13 ILE 82 2HD1 ILE 82 6.229 4.737 -1.959 623 H ARG 83 H ARG 83 11.281 2.548 -2.780 624 HA ARG 83 HA ARG 83 12.464 3.860 -4.838 625 HB2 ARG 83 1HB ARG 83 12.978 1.528 -3.204 626 HB3 ARG 83 2HB ARG 83 13.368 1.078 -4.812 627 HG2 ARG 83 1HG ARG 83 14.577 3.599 -4.629 628 HG3 ARG 83 2HG ARG 83 14.658 3.015 -2.969 629 HD2 ARG 83 1HD ARG 83 15.829 1.806 -5.492 630 HD3 ARG 83 2HD ARG 83 16.689 2.416 -4.065 631 HE ARG 83 HE ARG 83 14.935 0.182 -3.484 632 HH11 ARG 83 1HH1 ARG 83 18.058 0.951 -4.940 633 HH12 ARG 83 2HH1 ARG 83 18.735 -0.628 -4.679 634 HH21 ARG 83 1HH2 ARG 83 15.701 -1.926 -3.361 635 HH22 ARG 83 2HH2 ARG 83 17.351 -2.330 -3.617 636 H ALA 84 H ALA 84 10.349 0.989 -5.275 637 HA ALA 84 HA ALA 84 10.917 0.601 -8.054 638 HB1 ALA 84 1HB ALA 84 8.279 -0.006 -6.648 639 HB2 ALA 84 2HB ALA 84 9.027 -0.876 -8.004 640 HB3 ALA 84 3HB ALA 84 9.724 -0.987 -6.390 641 H HIS 85 H HIS 85 8.174 2.288 -6.548 642 HA HIS 85 HA HIS 85 7.028 3.271 -8.944 643 HB2 HIS 85 1HB HIS 85 5.830 3.114 -6.874 644 HB3 HIS 85 2HB HIS 85 7.004 4.147 -6.052 645 HD1 HIS 85 1HD HIS 85 3.635 4.534 -7.826 646 HD2 HIS 85 2HD HIS 85 7.011 6.773 -6.584 647 HE1 HIS 85 1HE HIS 85 2.895 6.898 -7.611 648 H CYS 86 H CYS 86 9.480 4.689 -6.728 649 HA CYS 86 HA CYS 86 9.574 7.210 -8.152 650 HB2 CYS 86 1HB CYS 86 11.369 5.853 -6.122 651 HB3 CYS 86 2HB CYS 86 11.620 7.501 -6.706 652 HG CYS 86 HG CYS 86 9.284 8.477 -6.063 653 H ALA 87 H ALA 87 11.146 4.105 -8.657 654 HA ALA 87 HA ALA 87 13.231 5.296 -10.297 655 HB1 ALA 87 1HB ALA 87 13.716 3.216 -9.089 656 HB2 ALA 87 2HB ALA 87 12.381 2.389 -9.936 657 HB3 ALA 87 3HB ALA 87 13.807 2.937 -10.840 658 H THR 88 H THR 88 9.937 4.248 -10.789 659 HA THR 88 HA THR 88 10.376 4.136 -13.726 660 HB THR 88 HB THR 88 9.259 2.271 -12.370 661 HG1 THR 88 1HG THR 88 9.261 2.520 -14.609 662 HG21 THR 88 3HG2 THR 88 6.877 4.157 -12.479 663 HG22 THR 88 1HG2 THR 88 7.698 3.509 -11.041 664 HG23 THR 88 2HG2 THR 88 6.814 2.421 -12.115 665 H LEU 89 H LEU 89 9.058 6.200 -11.269 666 HA LEU 89 HA LEU 89 8.155 8.127 -13.352 667 HB2 LEU 89 1HB LEU 89 8.032 8.336 -10.330 668 HB3 LEU 89 2HB LEU 89 7.261 9.400 -11.508 669 HG LEU 89 HG LEU 89 6.516 6.508 -10.910 670 HD11 LEU 89 1HD1 LEU 89 5.044 9.137 -10.517 671 HD12 LEU 89 2HD1 LEU 89 5.938 8.260 -9.262 672 HD13 LEU 89 3HD1 LEU 89 4.507 7.523 -10.011 673 HD21 LEU 89 3HD2 LEU 89 5.250 8.395 -12.912 674 HD22 LEU 89 1HD2 LEU 89 4.597 6.824 -12.423 675 HD23 LEU 89 2HD2 LEU 89 6.131 6.902 -13.313 676 H GLY 90 H GLY 90 10.958 7.194 -12.133 677 HA2 GLY 90 1HA GLY 90 13.064 8.049 -12.063 678 HA3 GLY 90 2HA GLY 90 12.418 9.366 -13.049 679 H HIS 91 H HIS 91 11.169 9.046 -9.782 680 HA HIS 91 HA HIS 91 12.201 11.763 -9.275 681 HB2 HIS 91 1HB HIS 91 10.169 9.987 -7.923 682 HB3 HIS 91 2HB HIS 91 10.865 11.342 -7.039 683 HD1 HIS 91 1HD HIS 91 10.299 13.832 -7.916 684 HD2 HIS 91 2HD HIS 91 8.589 10.638 -10.077 685 HE1 HIS 91 1HE HIS 91 8.571 14.856 -9.495 686 H CYS 92 H CYS 92 12.867 8.508 -8.106 687 HA CYS 92 HA CYS 92 14.043 7.677 -6.344 688 HB2 CYS 92 1HB CYS 92 15.989 9.882 -7.136 689 HB3 CYS 92 2HB CYS 92 16.381 8.463 -6.150 690 HG CYS 92 HG CYS 92 15.284 8.635 -9.278 691 H CYS 93 H CYS 93 15.631 8.621 -4.267 692 HA CYS 93 HA CYS 93 13.608 10.009 -2.589 693 HB2 CYS 93 1HB CYS 93 15.059 9.048 -0.753 694 HB3 CYS 93 2HB CYS 93 14.238 7.840 -1.760 695 HG CYS 93 HG CYS 93 16.834 7.447 -0.841 696 H THR 94 H THR 94 14.294 11.540 -1.023 697 HA THR 94 HA THR 94 16.742 12.797 -0.686 698 HB THR 94 HB THR 94 16.621 13.611 -2.967 699 HG1 THR 94 1HG THR 94 17.123 15.508 -2.412 700 HG21 THR 94 3HG2 THR 94 13.829 14.682 -2.387 701 HG22 THR 94 1HG2 THR 94 14.171 13.254 -3.393 702 HG23 THR 94 2HG2 THR 94 14.742 14.847 -3.897 703 H SER 95 H SER 95 16.268 14.773 0.741 704 HA SER 95 HA SER 95 15.269 15.847 2.393 705 HB2 SER 95 1HB SER 95 13.832 16.331 0.249 706 HB3 SER 95 2HB SER 95 12.560 15.494 1.140 707 HG SER 95 HG SER 95 12.518 17.106 2.575 708 H LYS 96 H LYS 96 15.312 14.975 4.355 709 HA LYS 96 HA LYS 96 14.743 13.772 6.226 710 HB2 LYS 96 1HB LYS 96 12.856 15.397 5.723 711 HB3 LYS 96 2HB LYS 96 11.951 14.026 5.084 712 HG2 LYS 96 1HG LYS 96 12.110 12.955 7.383 713 HG3 LYS 96 2HG LYS 96 12.938 14.425 7.937 714 HD2 LYS 96 1HD LYS 96 10.622 14.622 8.521 715 HD3 LYS 96 2HD LYS 96 10.899 15.768 7.210 716 HE2 LYS 96 1HE LYS 96 10.065 12.993 6.408 717 HE3 LYS 96 2HE LYS 96 8.874 13.895 7.341 718 HZ1 LYS 96 3HZ LYS 96 9.950 14.693 4.716 719 HZ2 LYS 96 1HZ LYS 96 8.934 15.624 5.664 720 HZ3 LYS 96 2HZ LYS 96 8.471 14.130 5.121 721 H MET 97 H MET 97 15.850 12.060 4.613 722 HA MET 97 HA MET 97 16.075 10.033 3.777 723 HB2 MET 97 1HB MET 97 15.788 9.707 6.346 724 HB3 MET 97 2HB MET 97 14.246 8.994 5.924 725 HG2 MET 97 1HG MET 97 15.756 7.595 4.194 726 HG3 MET 97 2HG MET 97 17.062 8.164 5.232 727 HE1 MET 97 3HE MET 97 13.532 6.460 5.447 728 HE2 MET 97 1HE MET 97 14.603 5.358 4.552 729 HE3 MET 97 2HE MET 97 13.989 4.892 6.154 730 H HIS 98 H HIS 98 14.134 11.428 2.347 731 HA HIS 98 HA HIS 98 12.696 10.944 0.565 732 HB2 HIS 98 1HB HIS 98 13.446 8.610 0.717 733 HB3 HIS 98 2HB HIS 98 11.906 8.328 1.517 734 HD1 HIS 98 1HD HIS 98 11.248 11.045 -1.133 735 HD2 HIS 98 2HD HIS 98 12.129 7.044 -0.698 736 HE1 HIS 98 1HE HIS 98 10.746 10.043 -3.377 737 H LEU 99 H LEU 99 11.688 9.438 3.654 738 HA LEU 99 HA LEU 99 9.008 10.692 3.691 739 HB2 LEU 99 1HB LEU 99 9.683 7.717 3.397 740 HB3 LEU 99 2HB LEU 99 8.077 8.361 3.708 741 HG LEU 99 HG LEU 99 9.700 8.843 1.141 742 HD11 LEU 99 1HD1 LEU 99 8.016 7.309 0.210 743 HD12 LEU 99 2HD1 LEU 99 7.565 6.846 1.869 744 HD13 LEU 99 3HD1 LEU 99 9.218 6.580 1.289 745 HD21 LEU 99 3HD2 LEU 99 8.077 10.671 1.529 746 HD22 LEU 99 1HD2 LEU 99 6.815 9.500 1.946 747 HD23 LEU 99 2HD2 LEU 99 7.454 9.596 0.285 748 H HIS 100 H HIS 100 8.682 11.129 5.853 749 HA HIS 100 HA HIS 100 10.205 9.787 7.919 750 HB2 HIS 100 1HB HIS 100 9.490 11.999 8.336 751 HB3 HIS 100 2HB HIS 100 7.809 11.641 7.945 752 HD1 HIS 100 1HD HIS 100 6.337 10.615 9.873 753 HD2 HIS 100 2HD HIS 100 10.395 11.334 10.789 754 HE1 HIS 100 1HE HIS 100 6.606 10.232 12.392 755 H SER 101 H SER 101 7.051 9.219 6.438 756 HA SER 101 HA SER 101 6.773 6.616 7.768 757 HB2 SER 101 1HB SER 101 6.045 8.492 9.370 758 HB3 SER 101 2HB SER 101 4.671 8.707 8.270 759 HG SER 101 HG SER 101 4.637 7.282 10.245 760 H VAL 102 H VAL 102 4.475 5.701 7.210 761 HA VAL 102 HA VAL 102 3.898 5.708 4.397 762 HB VAL 102 HB VAL 102 2.302 4.898 6.861 763 HG11 VAL 102 1HG1 VAL 102 0.700 5.315 4.960 764 HG12 VAL 102 2HG1 VAL 102 1.616 4.129 4.005 765 HG13 VAL 102 3HG1 VAL 102 0.772 3.634 5.476 766 HG21 VAL 102 3HG2 VAL 102 3.816 3.215 4.820 767 HG22 VAL 102 1HG2 VAL 102 4.349 3.570 6.472 768 HG23 VAL 102 2HG2 VAL 102 2.897 2.607 6.211 769 H MET 103 H MET 103 2.647 7.553 7.188 770 HA MET 103 HA MET 103 0.613 8.963 5.920 771 HB2 MET 103 1HB MET 103 1.173 8.920 8.375 772 HB3 MET 103 2HB MET 103 2.527 9.997 8.069 773 HG2 MET 103 1HG MET 103 0.582 11.210 8.863 774 HG3 MET 103 2HG MET 103 1.052 11.724 7.270 775 HE1 MET 103 3HE MET 103 -0.970 8.301 7.564 776 HE2 MET 103 1HE MET 103 -1.411 9.145 9.070 777 HE3 MET 103 2HE MET 103 -2.619 8.912 7.787 778 H ASP 104 H ASP 104 4.111 9.720 5.944 779 HA ASP 104 HA ASP 104 3.897 12.264 4.653 780 HB2 ASP 104 1HB ASP 104 6.138 10.227 4.901 781 HB3 ASP 104 2HB ASP 104 6.220 11.412 3.611 782 H ALA 105 H ALA 105 4.472 8.961 3.506 783 HA ALA 105 HA ALA 105 4.837 9.430 0.812 784 HB1 ALA 105 1HB ALA 105 4.196 6.985 0.559 785 HB2 ALA 105 2HB ALA 105 5.495 7.370 1.702 786 HB3 ALA 105 3HB ALA 105 3.898 6.993 2.311 787 H ILE 106 H ILE 106 1.656 8.858 2.427 788 HA ILE 106 HA ILE 106 0.213 8.589 0.004 789 HB ILE 106 HB ILE 106 -0.551 9.683 2.756 790 HG12 ILE 106 1HG1 ILE 106 -0.108 7.359 2.898 791 HG13 ILE 106 2HG1 ILE 106 -1.815 7.591 3.016 792 HG21 ILE 106 1HG2 ILE 106 -2.186 10.708 1.318 793 HG22 ILE 106 2HG2 ILE 106 -2.539 9.151 0.545 794 HG23 ILE 106 3HG2 ILE 106 -2.925 9.427 2.273 795 HD11 ILE 106 3HD1 ILE 106 -0.430 6.579 0.520 796 HD12 ILE 106 1HD1 ILE 106 -1.336 5.618 1.683 797 HD13 ILE 106 2HD1 ILE 106 -2.189 6.833 0.720 798 H ASP 107 H ASP 107 1.026 11.619 1.740 799 HA ASP 107 HA ASP 107 -0.406 13.190 -0.294 800 HB2 ASP 107 1HB ASP 107 0.446 13.656 2.355 801 HB3 ASP 107 2HB ASP 107 1.468 14.710 1.373 802 H PHE 108 H PHE 108 2.931 12.279 0.478 803 HA PHE 108 HA PHE 108 4.344 14.013 -1.245 804 HB2 PHE 108 1HB PHE 108 5.415 12.674 0.531 805 HB3 PHE 108 2HB PHE 108 4.935 11.195 -0.272 806 HD1 PHE 108 1HD PHE 108 7.079 14.214 -0.642 807 HD2 PHE 108 2HD PHE 108 6.320 10.168 -1.977 808 HE1 PHE 108 1HE PHE 108 9.129 14.260 -1.989 809 HE2 PHE 108 2HE PHE 108 8.331 10.255 -3.382 810 HZ PHE 108 HZ PHE 108 9.753 12.303 -3.417 811 H LEU 109 H LEU 109 3.159 10.703 -1.782 812 HA LEU 109 HA LEU 109 4.136 10.453 -4.484 813 HB2 LEU 109 1HB LEU 109 2.044 8.952 -2.839 814 HB3 LEU 109 2HB LEU 109 2.607 8.449 -4.433 815 HG LEU 109 HG LEU 109 4.401 8.776 -1.958 816 HD11 LEU 109 1HD1 LEU 109 2.693 6.913 -1.867 817 HD12 LEU 109 2HD1 LEU 109 4.393 6.409 -1.776 818 HD13 LEU 109 3HD1 LEU 109 3.513 6.233 -3.302 819 HD21 LEU 109 3HD2 LEU 109 6.139 7.598 -3.140 820 HD22 LEU 109 1HD2 LEU 109 5.703 9.056 -4.043 821 HD23 LEU 109 2HD2 LEU 109 5.107 7.482 -4.574 822 H ASN 110 H ASN 110 1.208 11.602 -3.014 823 HA ASN 110 HA ASN 110 -0.356 11.659 -5.419 824 HB2 ASN 110 1HB ASN 110 -0.593 12.595 -2.630 825 HB3 ASN 110 2HB ASN 110 -1.267 13.756 -3.772 826 HD21 ASN 110 1HD2 ASN 110 -1.746 10.650 -2.288 827 HD22 ASN 110 2HD2 ASN 110 -3.256 10.287 -3.164 828 H ALA 111 H ALA 111 1.857 13.996 -3.868 829 HA ALA 111 HA ALA 111 1.333 16.140 -5.740 830 HB1 ALA 111 1HB ALA 111 2.077 16.548 -3.439 831 HB2 ALA 111 2HB ALA 111 3.591 15.666 -3.746 832 HB3 ALA 111 3HB ALA 111 3.251 17.195 -4.583 833 H LEU 112 H LEU 112 2.891 13.219 -6.347 834 HA LEU 112 HA LEU 112 4.876 14.330 -8.222 835 HB2 LEU 112 1HB LEU 112 3.787 11.508 -8.032 836 HB3 LEU 112 2HB LEU 112 5.210 12.049 -8.889 837 HG LEU 112 HG LEU 112 4.856 11.964 -5.868 838 HD11 LEU 112 1HD1 LEU 112 6.701 10.419 -7.739 839 HD12 LEU 112 2HD1 LEU 112 5.244 9.805 -6.936 840 HD13 LEU 112 3HD1 LEU 112 6.644 10.276 -5.961 841 HD21 LEU 112 3HD2 LEU 112 7.207 12.652 -5.674 842 HD22 LEU 112 1HD2 LEU 112 6.247 13.914 -6.442 843 HD23 LEU 112 2HD2 LEU 112 7.286 12.881 -7.438 844 H GLU 113 H GLU 113 1.464 13.412 -8.125 845 HA GLU 113 HA GLU 113 1.227 13.667 -11.052 846 HB2 GLU 113 1HB GLU 113 -0.750 13.010 -8.834 847 HB3 GLU 113 2HB GLU 113 -1.269 13.450 -10.467 848 HG2 GLU 113 1HG GLU 113 0.051 11.596 -11.411 849 HG3 GLU 113 2HG GLU 113 0.564 11.125 -9.784 850 H GLY 114 H GLY 114 -0.370 15.343 -11.776 851 HA2 GLY 114 1HA GLY 114 -1.264 17.643 -11.342 852 HA3 GLY 114 2HA GLY 114 0.203 17.910 -10.385 Start of MODEL 6 1 H1 MET 1 H MET 1 -11.027 -1.736 12.025 2 HA MET 1 HA MET 1 -13.266 -3.308 13.150 3 HB2 MET 1 1HB MET 1 -12.663 -0.336 13.452 4 HB3 MET 1 2HB MET 1 -14.012 -1.215 14.152 5 HG2 MET 1 1HG MET 1 -12.372 -2.598 15.461 6 HG3 MET 1 2HG MET 1 -11.068 -1.590 14.802 7 HE1 MET 1 3HE MET 1 -14.003 -1.981 17.217 8 HE2 MET 1 1HE MET 1 -14.270 -0.358 17.886 9 HE3 MET 1 2HE MET 1 -14.763 -0.720 16.219 10 H GLY 2 H GLY 2 -15.074 -3.508 11.869 11 HA2 GLY 2 1HA GLY 2 -16.751 -2.189 10.587 12 HA3 GLY 2 2HA GLY 2 -15.423 -1.637 9.559 13 H ALA 3 H ALA 3 -13.910 -3.657 8.940 14 HA ALA 3 HA ALA 3 -13.670 -5.307 7.503 15 HB1 ALA 3 1HB ALA 3 -14.120 -6.584 9.650 16 HB2 ALA 3 2HB ALA 3 -15.749 -6.906 9.008 17 HB3 ALA 3 3HB ALA 3 -14.317 -7.481 8.135 18 H GLY 4 H GLY 4 -15.734 -7.279 6.612 19 HA2 GLY 4 1HA GLY 4 -17.349 -7.356 4.907 20 HA3 GLY 4 2HA GLY 4 -17.258 -5.588 4.701 21 H GLN 5 H GLN 5 -16.005 -4.921 3.069 22 HA GLN 5 HA GLN 5 -14.640 -6.946 1.502 23 HB2 GLN 5 1HB GLN 5 -15.150 -4.152 0.519 24 HB3 GLN 5 2HB GLN 5 -15.227 -5.658 -0.338 25 HG2 GLN 5 1HG GLN 5 -17.433 -5.133 -0.260 26 HG3 GLN 5 2HG GLN 5 -17.371 -6.098 1.197 27 HE21 GLN 5 1HE2 GLN 5 -19.323 -3.961 0.468 28 HE22 GLN 5 2HE2 GLN 5 -19.162 -2.722 1.686 29 H THR 6 H THR 6 -13.379 -5.322 3.791 30 HA THR 6 HA THR 6 -11.119 -3.996 2.461 31 HB THR 6 HB THR 6 -10.508 -3.685 5.027 32 HG1 THR 6 1HG THR 6 -12.873 -3.499 5.940 33 HG21 THR 6 3HG2 THR 6 -11.789 -1.646 5.009 34 HG22 THR 6 1HG2 THR 6 -12.963 -2.326 3.848 35 HG23 THR 6 2HG2 THR 6 -11.303 -1.961 3.339 36 HA PRO 7 HA PRO 7 -8.460 -7.287 2.308 37 HB2 PRO 7 1HB PRO 7 -5.982 -6.421 3.138 38 HB3 PRO 7 2HB PRO 7 -6.782 -5.962 1.609 39 HG2 PRO 7 1HG PRO 7 -6.692 -4.416 4.208 40 HG3 PRO 7 2HG PRO 7 -6.466 -3.791 2.543 41 HD2 PRO 7 1HD PRO 7 -8.799 -3.545 3.867 42 HD3 PRO 7 2HD PRO 7 -8.760 -3.834 2.114 43 H HIS 8 H HIS 8 -7.692 -5.724 5.485 44 HA HIS 8 HA HIS 8 -8.110 -8.294 6.844 45 HB2 HIS 8 1HB HIS 8 -5.590 -7.740 6.329 46 HB3 HIS 8 2HB HIS 8 -5.763 -6.462 7.518 47 HD1 HIS 8 1HD HIS 8 -5.023 -7.355 9.916 48 HD2 HIS 8 2HD HIS 8 -6.376 -10.322 7.275 49 HE1 HIS 8 1HE HIS 8 -5.166 -9.495 11.248 50 HA PRO 9 HA PRO 9 -10.428 -5.290 9.161 51 HB2 PRO 9 1HB PRO 9 -11.149 -6.645 11.406 52 HB3 PRO 9 2HB PRO 9 -11.719 -7.109 9.778 53 HG2 PRO 9 1HG PRO 9 -9.357 -8.291 11.295 54 HG3 PRO 9 2HG PRO 9 -10.718 -9.166 10.527 55 HD2 PRO 9 1HD PRO 9 -8.371 -8.815 9.245 56 HD3 PRO 9 2HD PRO 9 -9.925 -8.711 8.358 57 H GLN 10 H GLN 10 -7.465 -6.596 10.463 58 HA GLN 10 HA GLN 10 -7.245 -4.659 12.651 59 HB2 GLN 10 1HB GLN 10 -5.071 -6.333 11.351 60 HB3 GLN 10 2HB GLN 10 -4.965 -5.472 12.856 61 HG2 GLN 10 1HG GLN 10 -6.665 -7.013 13.867 62 HG3 GLN 10 2HG GLN 10 -6.703 -7.928 12.355 63 HE21 GLN 10 1HE2 GLN 10 -5.869 -9.374 14.723 64 HE22 GLN 10 2HE2 GLN 10 -4.135 -9.543 14.640 65 H LEU 11 H LEU 11 -6.471 -4.689 9.175 66 HA LEU 11 HA LEU 11 -4.146 -3.098 9.171 67 HB2 LEU 11 1HB LEU 11 -4.743 -4.313 7.239 68 HB3 LEU 11 2HB LEU 11 -6.346 -3.604 7.143 69 HG LEU 11 HG LEU 11 -4.128 -1.630 6.907 70 HD11 LEU 11 1HD1 LEU 11 -4.584 -3.705 4.733 71 HD12 LEU 11 2HD1 LEU 11 -3.101 -3.455 5.672 72 HD13 LEU 11 3HD1 LEU 11 -3.648 -2.206 4.558 73 HD21 LEU 11 3HD2 LEU 11 -6.625 -2.165 5.234 74 HD22 LEU 11 1HD2 LEU 11 -5.567 -0.753 5.113 75 HD23 LEU 11 2HD2 LEU 11 -6.513 -1.007 6.572 76 H ILE 12 H ILE 12 -3.724 -0.946 9.312 77 HA ILE 12 HA ILE 12 -6.064 0.817 9.941 78 HB ILE 12 HB ILE 12 -3.198 1.000 10.883 79 HG12 ILE 12 1HG1 ILE 12 -4.201 -0.856 12.009 80 HG13 ILE 12 2HG1 ILE 12 -3.976 0.480 13.112 81 HG21 ILE 12 1HG2 ILE 12 -5.622 2.706 11.614 82 HG22 ILE 12 2HG2 ILE 12 -4.058 2.749 12.448 83 HG23 ILE 12 3HG2 ILE 12 -4.165 3.226 10.760 84 HD11 ILE 12 3HD1 ILE 12 -6.408 1.020 12.989 85 HD12 ILE 12 1HD1 ILE 12 -6.639 -0.329 11.848 86 HD13 ILE 12 2HD1 ILE 12 -6.125 -0.645 13.510 87 H TRP 13 H TRP 13 -6.505 2.197 8.376 88 HA TRP 13 HA TRP 13 -4.849 2.748 6.175 89 HB2 TRP 13 1HB TRP 13 -7.089 4.437 7.335 90 HB3 TRP 13 2HB TRP 13 -6.488 4.509 5.705 91 HD1 TRP 13 HD TRP 13 -9.008 2.804 7.781 92 HE1 TRP 13 1HE TRP 13 -10.109 0.885 6.612 93 HE3 TRP 13 3HE TRP 13 -5.980 2.593 3.651 94 HZ2 TRP 13 2HZ TRP 13 -9.556 -0.822 4.280 95 HZ3 TRP 13 3HZ TRP 13 -6.321 0.789 1.959 96 HH2 TRP 13 HH TRP 13 -8.065 -0.932 2.282 97 HA PRO 14 HA PRO 14 -4.650 4.614 4.731 98 HB2 PRO 14 1HB PRO 14 -2.423 5.530 3.604 99 HB3 PRO 14 2HB PRO 14 -3.714 6.619 4.167 100 HG2 PRO 14 1HG PRO 14 -1.144 5.914 5.608 101 HG3 PRO 14 2HG PRO 14 -1.875 7.539 5.387 102 HD2 PRO 14 1HD PRO 14 -2.222 6.064 7.670 103 HD3 PRO 14 2HD PRO 14 -3.531 7.087 7.014 104 H ALA 15 H ALA 15 -3.599 3.327 2.968 105 HA ALA 15 HA ALA 15 -1.546 1.451 3.944 106 HB1 ALA 15 1HB ALA 15 -4.148 0.565 2.625 107 HB2 ALA 15 2HB ALA 15 -2.776 -0.488 3.025 108 HB3 ALA 15 3HB ALA 15 -3.690 0.299 4.333 109 H LEU 16 H LEU 16 -0.740 0.104 2.189 110 HA LEU 16 HA LEU 16 -0.565 1.528 -0.418 111 HB2 LEU 16 1HB LEU 16 1.619 0.824 1.584 112 HB3 LEU 16 2HB LEU 16 1.984 1.029 -0.122 113 HG LEU 16 HG LEU 16 0.717 3.164 1.649 114 HD11 LEU 16 1HD1 LEU 16 2.883 4.289 1.554 115 HD12 LEU 16 2HD1 LEU 16 3.570 2.956 0.614 116 HD13 LEU 16 3HD1 LEU 16 3.059 2.690 2.302 117 HD21 LEU 16 3HD2 LEU 16 0.103 3.395 -0.688 118 HD22 LEU 16 1HD2 LEU 16 1.752 3.155 -1.212 119 HD23 LEU 16 2HD2 LEU 16 1.300 4.635 -0.317 120 H LEU 17 H LEU 17 -1.241 0.135 -1.827 121 HA LEU 17 HA LEU 17 -0.639 -2.754 -1.603 122 HB2 LEU 17 1HB LEU 17 -2.928 -1.836 -2.345 123 HB3 LEU 17 2HB LEU 17 -2.084 -1.161 -3.731 124 HG LEU 17 HG LEU 17 -1.442 -3.539 -4.399 125 HD11 LEU 17 1HD1 LEU 17 -3.612 -4.181 -2.337 126 HD12 LEU 17 2HD1 LEU 17 -1.908 -4.670 -2.263 127 HD13 LEU 17 3HD1 LEU 17 -2.939 -5.308 -3.532 128 HD21 LEU 17 3HD2 LEU 17 -3.663 -3.940 -5.417 129 HD22 LEU 17 1HD2 LEU 17 -3.185 -2.246 -5.550 130 HD23 LEU 17 2HD2 LEU 17 -4.387 -2.736 -4.330 131 H LYS 18 H LYS 18 0.807 -3.762 -3.242 132 HA LYS 18 HA LYS 18 1.708 -1.974 -5.371 133 HB2 LYS 18 1HB LYS 18 3.400 -1.941 -3.312 134 HB3 LYS 18 2HB LYS 18 3.992 -3.444 -4.029 135 HG2 LYS 18 1HG LYS 18 3.609 -0.885 -5.599 136 HG3 LYS 18 2HG LYS 18 5.095 -1.258 -4.749 137 HD2 LYS 18 1HD LYS 18 3.958 -3.099 -6.902 138 HD3 LYS 18 2HD LYS 18 4.989 -1.748 -7.256 139 HE2 LYS 18 1HE LYS 18 5.744 -3.880 -5.227 140 HE3 LYS 18 2HE LYS 18 6.124 -4.009 -6.946 141 HZ1 LYS 18 3HZ LYS 18 7.442 -2.062 -6.826 142 HZ2 LYS 18 1HZ LYS 18 7.938 -3.002 -5.577 143 HZ3 LYS 18 2HZ LYS 18 6.974 -1.710 -5.295 144 H GLN 19 H GLN 19 0.701 -3.141 -6.884 145 HA GLN 19 HA GLN 19 -0.007 -5.737 -6.552 146 HB2 GLN 19 1HB GLN 19 0.310 -4.179 -9.151 147 HB3 GLN 19 2HB GLN 19 -0.447 -5.759 -9.062 148 HG2 GLN 19 1HG GLN 19 -1.849 -4.378 -7.119 149 HG3 GLN 19 2HG GLN 19 -1.519 -3.112 -8.293 150 HE21 GLN 19 1HE2 GLN 19 -3.422 -5.853 -7.535 151 HE22 GLN 19 2HE2 GLN 19 -4.435 -5.887 -8.970 152 H GLN 20 H GLN 20 0.504 -7.770 -7.539 153 HA GLN 20 HA GLN 20 3.301 -8.251 -7.519 154 HB2 GLN 20 1HB GLN 20 1.265 -9.816 -6.834 155 HB3 GLN 20 2HB GLN 20 1.348 -10.350 -8.506 156 HG2 GLN 20 1HG GLN 20 3.945 -10.519 -8.015 157 HG3 GLN 20 2HG GLN 20 3.449 -10.431 -6.328 158 HE21 GLN 20 1HE2 GLN 20 3.379 -12.529 -5.426 159 HE22 GLN 20 2HE2 GLN 20 2.778 -13.936 -6.286 160 H GLY 21 H GLY 21 4.188 -7.000 -9.125 161 HA2 GLY 21 1HA GLY 21 5.345 -7.908 -11.282 162 HA3 GLY 21 2HA GLY 21 3.722 -7.680 -11.960 163 H CYS 22 H CYS 22 3.115 -5.325 -10.225 164 HA CYS 22 HA CYS 22 4.273 -3.326 -11.999 165 HB2 CYS 22 1HB CYS 22 2.399 -3.097 -9.571 166 HB3 CYS 22 2HB CYS 22 2.707 -1.830 -10.722 167 HG CYS 22 HG CYS 22 1.528 -2.574 -12.660 168 H ASN 23 H ASN 23 4.705 -1.221 -10.858 169 HA ASN 23 HA ASN 23 6.803 -1.554 -8.782 170 HB2 ASN 23 1HB ASN 23 6.874 0.104 -11.371 171 HB3 ASN 23 2HB ASN 23 8.114 0.155 -10.135 172 HD21 ASN 23 1HD2 ASN 23 6.974 -1.486 -12.876 173 HD22 ASN 23 2HD2 ASN 23 7.936 -2.947 -12.797 174 H GLU 24 H GLU 24 4.308 0.416 -10.364 175 HA GLU 24 HA GLU 24 4.362 2.709 -8.651 176 HB2 GLU 24 1HB GLU 24 3.225 2.433 -10.934 177 HB3 GLU 24 2HB GLU 24 2.100 1.312 -10.162 178 HG2 GLU 24 1HG GLU 24 1.723 3.439 -8.542 179 HG3 GLU 24 2HG GLU 24 2.286 4.307 -9.956 180 H LEU 25 H LEU 25 3.560 2.910 -6.653 181 HA LEU 25 HA LEU 25 2.187 0.698 -5.246 182 HB2 LEU 25 1HB LEU 25 3.355 3.401 -4.466 183 HB3 LEU 25 2HB LEU 25 2.241 2.551 -3.411 184 HG LEU 25 HG LEU 25 4.369 0.786 -4.398 185 HD11 LEU 25 1HD1 LEU 25 5.732 2.684 -4.462 186 HD12 LEU 25 2HD1 LEU 25 6.185 1.637 -3.112 187 HD13 LEU 25 3HD1 LEU 25 5.288 3.124 -2.788 188 HD21 LEU 25 3HD2 LEU 25 4.481 0.102 -2.068 189 HD22 LEU 25 1HD2 LEU 25 2.778 0.353 -2.456 190 HD23 LEU 25 2HD2 LEU 25 3.676 1.589 -1.552 191 H LEU 26 H LEU 26 0.182 0.973 -4.496 192 HA LEU 26 HA LEU 26 -1.531 2.988 -5.735 193 HB2 LEU 26 1HB LEU 26 -1.838 0.299 -5.799 194 HB3 LEU 26 2HB LEU 26 -2.798 0.679 -4.376 195 HG LEU 26 HG LEU 26 -3.945 0.476 -6.647 196 HD11 LEU 26 1HD1 LEU 26 -4.432 2.895 -4.863 197 HD12 LEU 26 2HD1 LEU 26 -5.069 1.246 -4.647 198 HD13 LEU 26 3HD1 LEU 26 -5.595 2.222 -6.020 199 HD21 LEU 26 3HD2 LEU 26 -4.136 2.337 -8.078 200 HD22 LEU 26 1HD2 LEU 26 -2.399 2.117 -7.860 201 HD23 LEU 26 2HD2 LEU 26 -3.237 3.410 -6.986 202 HA PRO 27 HA PRO 27 -1.384 4.462 -1.361 203 HB2 PRO 27 1HB PRO 27 -2.086 7.013 -1.878 204 HB3 PRO 27 2HB PRO 27 -0.410 6.432 -2.068 205 HG2 PRO 27 1HG PRO 27 -2.479 6.824 -4.227 206 HG3 PRO 27 2HG PRO 27 -0.759 7.289 -4.237 207 HD2 PRO 27 1HD PRO 27 -1.727 4.978 -5.379 208 HD3 PRO 27 2HD PRO 27 -0.077 5.113 -4.711 209 H LEU 28 H LEU 28 -3.071 3.911 -0.183 210 HA LEU 28 HA LEU 28 -5.796 4.624 -1.122 211 HB2 LEU 28 1HB LEU 28 -4.957 2.292 0.662 212 HB3 LEU 28 2HB LEU 28 -6.582 2.912 0.551 213 HG LEU 28 HG LEU 28 -6.758 1.115 -0.752 214 HD11 LEU 28 1HD1 LEU 28 -7.424 3.106 -2.111 215 HD12 LEU 28 2HD1 LEU 28 -7.002 1.687 -3.077 216 HD13 LEU 28 3HD1 LEU 28 -5.866 3.034 -2.920 217 HD21 LEU 28 3HD2 LEU 28 -4.375 0.441 -0.670 218 HD22 LEU 28 1HD2 LEU 28 -4.069 1.535 -2.029 219 HD23 LEU 28 2HD2 LEU 28 -5.136 0.141 -2.251 220 H ARG 29 H ARG 29 -6.000 6.587 -0.124 221 HA ARG 29 HA ARG 29 -4.821 7.324 2.372 222 HB2 ARG 29 1HB ARG 29 -7.408 8.309 1.098 223 HB3 ARG 29 2HB ARG 29 -6.641 9.032 2.519 224 HG2 ARG 29 1HG ARG 29 -4.595 9.507 1.153 225 HG3 ARG 29 2HG ARG 29 -5.435 8.860 -0.258 226 HD2 ARG 29 1HD ARG 29 -7.317 10.547 0.285 227 HD3 ARG 29 2HD ARG 29 -6.162 11.271 1.419 228 HE ARG 29 HE ARG 29 -5.072 12.246 -0.302 229 HH11 ARG 29 1HH1 ARG 29 -6.723 9.423 -1.732 230 HH12 ARG 29 2HH1 ARG 29 -6.695 9.989 -3.332 231 HH21 ARG 29 1HH2 ARG 29 -5.293 13.176 -2.470 232 HH22 ARG 29 2HH2 ARG 29 -5.723 12.127 -3.769 233 H THR 30 H THR 30 -7.967 5.690 1.637 234 HA THR 30 HA THR 30 -8.027 4.687 4.312 235 HB THR 30 HB THR 30 -8.815 7.057 4.568 236 HG1 THR 30 1HG THR 30 -9.487 6.085 6.179 237 HG21 THR 30 3HG2 THR 30 -10.914 7.815 3.864 238 HG22 THR 30 1HG2 THR 30 -11.421 6.216 3.322 239 HG23 THR 30 2HG2 THR 30 -10.188 7.127 2.411 240 H ASN 31 H ASN 31 -10.387 3.804 4.618 241 HA ASN 31 HA ASN 31 -10.765 1.565 2.901 242 HB2 ASN 31 1HB ASN 31 -11.772 1.275 4.974 243 HB3 ASN 31 2HB ASN 31 -12.395 2.925 5.039 244 HD21 ASN 31 1HD2 ASN 31 -12.975 -0.271 3.409 245 HD22 ASN 31 2HD2 ASN 31 -14.654 0.036 3.163 246 H ASP 32 H ASP 32 -12.425 4.784 2.878 247 HA ASP 32 HA ASP 32 -14.164 4.328 0.735 248 HB2 ASP 32 1HB ASP 32 -14.285 6.362 2.011 249 HB3 ASP 32 2HB ASP 32 -12.654 6.837 1.515 250 H ASP 33 H ASP 33 -10.753 5.469 0.548 251 HA ASP 33 HA ASP 33 -10.486 5.638 -2.253 252 HB2 ASP 33 1HB ASP 33 -8.937 6.311 -0.216 253 HB3 ASP 33 2HB ASP 33 -8.227 4.734 -0.467 254 H TRP 34 H TRP 34 -9.946 2.901 -0.013 255 HA TRP 34 HA TRP 34 -9.013 0.988 -1.923 256 HB2 TRP 34 1HB TRP 34 -8.674 0.589 0.402 257 HB3 TRP 34 2HB TRP 34 -10.373 0.727 0.775 258 HD1 TRP 34 HD TRP 34 -11.929 -1.370 0.366 259 HE1 TRP 34 1HE TRP 34 -11.454 -3.879 0.053 260 HE3 TRP 34 3HE TRP 34 -6.941 -1.098 -0.722 261 HZ2 TRP 34 2HZ TRP 34 -9.149 -5.538 -0.384 262 HZ3 TRP 34 3HZ TRP 34 -5.624 -3.152 -1.095 263 HH2 TRP 34 HH TRP 34 -6.684 -5.380 -0.901 264 H GLN 35 H GLN 35 -12.318 1.857 -0.861 265 HA GLN 35 HA GLN 35 -13.643 -0.223 -2.248 266 HB2 GLN 35 1HB GLN 35 -14.697 2.618 -1.911 267 HB3 GLN 35 2HB GLN 35 -15.637 1.182 -2.235 268 HG2 GLN 35 1HG GLN 35 -14.093 0.669 0.159 269 HG3 GLN 35 2HG GLN 35 -14.792 2.278 0.311 270 HE21 GLN 35 1HE2 GLN 35 -17.340 1.627 -1.083 271 HE22 GLN 35 2HE2 GLN 35 -18.199 0.636 0.078 272 H ARG 36 H ARG 36 -12.597 3.004 -3.267 273 HA ARG 36 HA ARG 36 -14.023 3.137 -5.673 274 HB2 ARG 36 1HB ARG 36 -11.407 4.527 -5.100 275 HB3 ARG 36 2HB ARG 36 -12.659 5.017 -6.248 276 HG2 ARG 36 1HG ARG 36 -14.005 4.833 -3.743 277 HG3 ARG 36 2HG ARG 36 -12.389 5.472 -3.372 278 HD2 ARG 36 1HD ARG 36 -12.778 7.170 -5.201 279 HD3 ARG 36 2HD ARG 36 -14.472 6.582 -5.223 280 HE ARG 36 HE ARG 36 -13.852 7.181 -2.550 281 HH11 ARG 36 1HH1 ARG 36 -14.049 9.006 -5.594 282 HH12 ARG 36 2HH1 ARG 36 -14.889 10.340 -4.915 283 HH21 ARG 36 1HH2 ARG 36 -14.500 9.024 -1.580 284 HH22 ARG 36 2HH2 ARG 36 -15.186 10.365 -2.513 285 H PHE 37 H PHE 37 -10.844 1.767 -5.014 286 HA PHE 37 HA PHE 37 -9.822 1.240 -7.568 287 HB2 PHE 37 1HB PHE 37 -8.696 0.746 -5.410 288 HB3 PHE 37 2HB PHE 37 -9.844 -0.530 -5.081 289 HD1 PHE 37 1HD PHE 37 -9.913 -2.619 -6.656 290 HD2 PHE 37 2HD PHE 37 -6.685 0.253 -6.560 291 HE1 PHE 37 1HE PHE 37 -8.447 -4.238 -7.779 292 HE2 PHE 37 2HE PHE 37 -5.185 -1.422 -7.602 293 HZ PHE 37 HZ PHE 37 -6.062 -3.677 -8.210 294 H CYS 38 H CYS 38 -11.969 -0.909 -5.649 295 HA CYS 38 HA CYS 38 -12.329 -2.741 -7.853 296 HB2 CYS 38 1HB CYS 38 -12.444 -3.333 -5.402 297 HB3 CYS 38 2HB CYS 38 -13.987 -2.461 -5.305 298 HG CYS 38 HG CYS 38 -15.336 -3.833 -6.847 299 H ALA 39 H ALA 39 -14.138 0.045 -6.582 300 HA ALA 39 HA ALA 39 -16.571 -0.392 -7.952 301 HB1 ALA 39 1HB ALA 39 -17.104 1.842 -7.278 302 HB2 ALA 39 2HB ALA 39 -16.130 1.158 -5.979 303 HB3 ALA 39 3HB ALA 39 -15.398 2.291 -7.149 304 H ASP 40 H ASP 40 -13.451 0.909 -9.061 305 HA ASP 40 HA ASP 40 -14.587 2.149 -11.353 306 HB2 ASP 40 1HB ASP 40 -12.307 2.704 -10.204 307 HB3 ASP 40 2HB ASP 40 -11.669 1.399 -11.188 308 H SER 41 H SER 41 -14.665 -0.995 -10.832 309 HA SER 41 HA SER 41 -14.851 -2.858 -12.104 310 HB2 SER 41 1HB SER 41 -15.647 -1.056 -13.889 311 HB3 SER 41 2HB SER 41 -14.135 -1.495 -14.692 312 HG SER 41 HG SER 41 -14.861 -3.549 -14.943 313 H LYS 42 H LYS 42 -12.167 -1.295 -11.322 314 HA LYS 42 HA LYS 42 -10.174 -2.859 -12.859 315 HB2 LYS 42 1HB LYS 42 -10.039 -0.533 -10.911 316 HB3 LYS 42 2HB LYS 42 -8.612 -1.305 -11.582 317 HG2 LYS 42 1HG LYS 42 -10.785 -0.059 -13.344 318 HG3 LYS 42 2HG LYS 42 -9.385 0.793 -12.732 319 HD2 LYS 42 1HD LYS 42 -7.982 -1.135 -13.780 320 HD3 LYS 42 2HD LYS 42 -9.447 -1.481 -14.718 321 HE2 LYS 42 1HE LYS 42 -9.447 0.742 -15.650 322 HE3 LYS 42 2HE LYS 42 -8.191 1.299 -14.541 323 HZ1 LYS 42 3HZ LYS 42 -7.459 0.750 -16.852 324 HZ2 LYS 42 1HZ LYS 42 -7.745 -0.811 -16.563 325 HZ3 LYS 42 2HZ LYS 42 -6.587 -0.023 -15.691 326 H HIS 43 H HIS 43 -11.853 -4.449 -11.223 327 HA HIS 43 HA HIS 43 -10.556 -4.807 -8.657 328 HB2 HIS 43 1HB HIS 43 -12.137 -6.402 -8.168 329 HB3 HIS 43 2HB HIS 43 -12.951 -5.067 -8.975 330 HD1 HIS 43 1HD HIS 43 -14.950 -6.908 -9.218 331 HD2 HIS 43 2HD HIS 43 -11.426 -7.562 -11.457 332 HE1 HIS 43 1HE HIS 43 -15.519 -8.673 -10.971 333 H LEU 44 H LEU 44 -8.656 -5.115 -10.716 334 HA LEU 44 HA LEU 44 -8.151 -7.831 -11.410 335 HB2 LEU 44 1HB LEU 44 -7.358 -5.450 -12.398 336 HB3 LEU 44 2HB LEU 44 -5.946 -5.831 -11.395 337 HG LEU 44 HG LEU 44 -7.187 -7.517 -13.625 338 HD11 LEU 44 1HD1 LEU 44 -5.861 -5.603 -14.278 339 HD12 LEU 44 2HD1 LEU 44 -5.009 -7.101 -14.668 340 HD13 LEU 44 3HD1 LEU 44 -4.518 -6.129 -13.245 341 HD21 LEU 44 3HD2 LEU 44 -6.480 -9.117 -11.973 342 HD22 LEU 44 1HD2 LEU 44 -4.940 -8.258 -11.696 343 HD23 LEU 44 2HD2 LEU 44 -5.268 -9.086 -13.249 344 H LEU 45 H LEU 45 -7.807 -9.260 -9.685 345 HA LEU 45 HA LEU 45 -5.811 -8.453 -7.631 346 HB2 LEU 45 1HB LEU 45 -8.427 -9.973 -7.253 347 HB3 LEU 45 2HB LEU 45 -7.199 -9.757 -6.000 348 HG LEU 45 HG LEU 45 -8.621 -7.412 -7.359 349 HD11 LEU 45 1HD1 LEU 45 -10.052 -7.224 -5.442 350 HD12 LEU 45 2HD1 LEU 45 -9.278 -8.620 -4.663 351 HD13 LEU 45 3HD1 LEU 45 -10.244 -8.843 -6.133 352 HD21 LEU 45 3HD2 LEU 45 -6.480 -6.794 -6.381 353 HD22 LEU 45 1HD2 LEU 45 -6.921 -7.607 -4.862 354 HD23 LEU 45 2HD2 LEU 45 -7.804 -6.155 -5.421 355 H GLN 46 H GLN 46 -4.551 -10.100 -6.815 356 HA GLN 46 HA GLN 46 -4.310 -12.652 -8.171 357 HB2 GLN 46 1HB GLN 46 -2.200 -12.088 -9.239 358 HB3 GLN 46 2HB GLN 46 -3.531 -11.141 -9.919 359 HG2 GLN 46 1HG GLN 46 -2.813 -9.329 -8.175 360 HG3 GLN 46 2HG GLN 46 -1.381 -10.311 -8.015 361 HE21 GLN 46 1HE2 GLN 46 -1.988 -7.528 -9.005 362 HE22 GLN 46 2HE2 GLN 46 -1.266 -7.398 -10.608 363 H TYR 47 H TYR 47 -3.276 -14.009 -6.717 364 HA TYR 47 HA TYR 47 -2.995 -13.061 -4.027 365 HB2 TYR 47 1HB TYR 47 -1.816 -15.523 -5.373 366 HB3 TYR 47 2HB TYR 47 -1.931 -15.275 -3.630 367 HD1 TYR 47 1HD TYR 47 -4.436 -14.467 -2.897 368 HD2 TYR 47 2HD TYR 47 -3.492 -17.002 -6.272 369 HE1 TYR 47 1HE TYR 47 -6.696 -15.406 -2.823 370 HE2 TYR 47 2HE TYR 47 -5.739 -17.944 -6.187 371 HH TYR 47 HH TYR 47 -8.284 -16.549 -4.085 372 H GLY 48 H GLY 48 -1.157 -12.713 -2.824 373 HA2 GLY 48 1HA GLY 48 0.991 -12.127 -2.412 374 HA3 GLY 48 2HA GLY 48 1.434 -12.479 -4.099 375 H ASP 49 H ASP 49 -1.153 -10.294 -4.039 376 HA ASP 49 HA ASP 49 0.181 -8.227 -5.216 377 HB2 ASP 49 1HB ASP 49 -2.469 -8.945 -4.665 378 HB3 ASP 49 2HB ASP 49 -2.311 -7.469 -3.791 379 H LYS 50 H LYS 50 0.317 -8.812 -1.989 380 HA LYS 50 HA LYS 50 1.052 -7.918 -0.062 381 HB2 LYS 50 1HB LYS 50 3.003 -7.732 -1.784 382 HB3 LYS 50 2HB LYS 50 2.628 -5.989 -1.767 383 HG2 LYS 50 1HG LYS 50 3.034 -5.932 0.690 384 HG3 LYS 50 2HG LYS 50 3.512 -7.632 0.658 385 HD2 LYS 50 1HD LYS 50 4.813 -5.420 -0.991 386 HD3 LYS 50 2HD LYS 50 5.415 -5.934 0.587 387 HE2 LYS 50 1HE LYS 50 6.239 -7.956 -0.179 388 HE3 LYS 50 2HE LYS 50 5.029 -8.080 -1.469 389 HZ1 LYS 50 3HZ LYS 50 6.162 -6.366 -2.666 390 HZ2 LYS 50 1HZ LYS 50 7.148 -7.636 -2.439 391 HZ3 LYS 50 2HZ LYS 50 7.377 -6.285 -1.528 392 H LEU 51 H LEU 51 0.638 -6.450 1.523 393 HA LEU 51 HA LEU 51 -0.157 -3.690 0.787 394 HB2 LEU 51 1HB LEU 51 -1.734 -5.745 2.304 395 HB3 LEU 51 2HB LEU 51 -1.783 -4.103 2.923 396 HG LEU 51 HG LEU 51 -2.429 -4.827 0.028 397 HD11 LEU 51 1HD1 LEU 51 -3.965 -5.992 1.529 398 HD12 LEU 51 2HD1 LEU 51 -4.798 -4.661 0.725 399 HD13 LEU 51 3HD1 LEU 51 -4.266 -4.487 2.421 400 HD21 LEU 51 3HD2 LEU 51 -3.129 -2.370 1.709 401 HD22 LEU 51 1HD2 LEU 51 -3.581 -2.645 0.012 402 HD23 LEU 51 2HD2 LEU 51 -1.891 -2.427 0.442 403 H VAL 52 H VAL 52 0.179 -2.189 2.437 404 HA VAL 52 HA VAL 52 1.721 -2.954 4.833 405 HB VAL 52 HB VAL 52 2.327 -0.844 2.729 406 HG11 VAL 52 1HG1 VAL 52 2.521 0.353 4.821 407 HG12 VAL 52 2HG1 VAL 52 3.483 -0.950 5.536 408 HG13 VAL 52 3HG1 VAL 52 4.131 -0.000 4.189 409 HG21 VAL 52 3HG2 VAL 52 4.631 -1.842 2.848 410 HG22 VAL 52 1HG2 VAL 52 3.968 -3.091 3.900 411 HG23 VAL 52 2HG2 VAL 52 3.386 -2.948 2.233 412 H ASP 53 H ASP 53 0.879 -1.768 6.698 413 HA ASP 53 HA ASP 53 -1.046 0.394 6.158 414 HB2 ASP 53 1HB ASP 53 -2.379 -0.374 7.814 415 HB3 ASP 53 2HB ASP 53 -1.831 -1.866 7.129 416 H SER 54 H SER 54 -1.272 1.640 8.412 417 HA SER 54 HA SER 54 1.001 3.348 8.541 418 HB2 SER 54 1HB SER 54 -0.199 4.390 10.397 419 HB3 SER 54 2HB SER 54 -1.370 3.965 9.115 420 HG SER 54 HG SER 54 -1.908 3.432 11.387 421 H ASN 55 H ASN 55 0.287 0.488 10.368 422 HA ASN 55 HA ASN 55 2.167 1.017 12.582 423 HB2 ASN 55 1HB ASN 55 0.841 -1.618 11.905 424 HB3 ASN 55 2HB ASN 55 1.507 -1.120 13.440 425 HD21 ASN 55 1HD2 ASN 55 -1.337 -1.012 11.358 426 HD22 ASN 55 2HD2 ASN 55 -2.314 -0.123 12.502 427 H PHE 56 H PHE 56 2.503 0.165 9.371 428 HA PHE 56 HA PHE 56 4.044 -0.819 8.087 429 HB2 PHE 56 1HB PHE 56 5.797 -0.978 10.566 430 HB3 PHE 56 2HB PHE 56 6.251 -1.513 9.012 431 HD1 PHE 56 2HD PHE 56 4.697 1.744 10.238 432 HD2 PHE 56 1HD PHE 56 7.800 -0.231 7.959 433 HE1 PHE 56 2HE PHE 56 5.522 3.914 9.476 434 HE2 PHE 56 1HE PHE 56 8.609 1.958 7.183 435 HZ PHE 56 HZ PHE 56 7.507 4.055 7.951 436 H HIS 57 H HIS 57 1.840 -2.323 9.634 437 HA HIS 57 HA HIS 57 2.806 -5.081 9.844 438 HB2 HIS 57 1HB HIS 57 0.090 -4.008 9.093 439 HB3 HIS 57 2HB HIS 57 0.505 -5.663 9.530 440 HD1 HIS 57 1HD HIS 57 -1.422 -3.288 11.055 441 HD2 HIS 57 2HD HIS 57 2.259 -5.031 12.177 442 HE1 HIS 57 1HE HIS 57 -1.395 -3.331 13.637 443 H CYS 58 H CYS 58 3.522 -6.299 8.069 444 HA CYS 58 HA CYS 58 2.782 -5.382 5.329 445 HB2 CYS 58 1HB CYS 58 5.028 -6.974 6.478 446 HB3 CYS 58 2HB CYS 58 4.257 -7.694 5.062 447 HG CYS 58 HG CYS 58 5.246 -4.563 5.264 448 H PHE 59 H PHE 59 1.474 -6.672 4.072 449 HA PHE 59 HA PHE 59 0.399 -9.173 5.239 450 HB2 PHE 59 1HB PHE 59 -1.259 -6.971 3.968 451 HB3 PHE 59 2HB PHE 59 -1.865 -8.538 4.450 452 HD1 PHE 59 1HD PHE 59 -1.654 -9.176 6.983 453 HD2 PHE 59 2HD PHE 59 -1.286 -5.150 5.483 454 HE1 PHE 59 1HE PHE 59 -2.050 -8.289 9.266 455 HE2 PHE 59 2HE PHE 59 -1.752 -4.265 7.750 456 HZ PHE 59 HZ PHE 59 -2.030 -5.827 9.658 457 H VAL 60 H VAL 60 -0.393 -10.609 3.618 458 HA VAL 60 HA VAL 60 0.283 -10.168 0.795 459 HB VAL 60 HB VAL 60 1.326 -12.313 2.694 460 HG11 VAL 60 1HG1 VAL 60 2.250 -13.493 0.725 461 HG12 VAL 60 2HG1 VAL 60 0.494 -13.528 0.722 462 HG13 VAL 60 3HG1 VAL 60 1.355 -12.403 -0.348 463 HG21 VAL 60 3HG2 VAL 60 2.756 -10.338 2.472 464 HG22 VAL 60 1HG2 VAL 60 3.500 -11.711 1.633 465 HG23 VAL 60 2HG2 VAL 60 2.671 -10.444 0.697 466 H LEU 61 H LEU 61 -1.272 -10.983 -0.456 467 HA LEU 61 HA LEU 61 -3.635 -12.353 0.574 468 HB2 LEU 61 1HB LEU 61 -3.477 -10.597 -1.332 469 HB3 LEU 61 2HB LEU 61 -2.772 -11.846 -2.305 470 HG LEU 61 HG LEU 61 -5.453 -11.294 -1.585 471 HD11 LEU 61 1HD1 LEU 61 -5.048 -12.754 -4.040 472 HD12 LEU 61 2HD1 LEU 61 -4.547 -11.065 -3.834 473 HD13 LEU 61 3HD1 LEU 61 -6.215 -11.564 -3.574 474 HD21 LEU 61 3HD2 LEU 61 -6.598 -13.365 -1.749 475 HD22 LEU 61 1HD2 LEU 61 -6.013 -12.725 -0.221 476 HD23 LEU 61 2HD2 LEU 61 -5.116 -14.009 -0.993 477 H GLU 62 H GLU 62 -3.682 -14.617 0.727 478 HA GLU 62 HA GLU 62 -1.702 -16.213 -0.883 479 HB2 GLU 62 1HB GLU 62 -3.007 -16.855 1.803 480 HB3 GLU 62 2HB GLU 62 -2.056 -17.977 0.832 481 HG2 GLU 62 1HG GLU 62 -0.301 -15.874 0.979 482 HG3 GLU 62 2HG GLU 62 -1.183 -15.666 2.502 483 H GLU 63 H GLU 63 -2.627 -18.398 -1.524 484 HA GLU 63 HA GLU 63 -5.051 -18.187 -2.895 485 HB2 GLU 63 1HB GLU 63 -3.659 -20.738 -2.047 486 HB3 GLU 63 2HB GLU 63 -4.895 -20.567 -3.301 487 HG2 GLU 63 1HG GLU 63 -3.217 -18.803 -4.319 488 HG3 GLU 63 2HG GLU 63 -2.035 -19.578 -3.274 489 H ASP 64 H ASP 64 -4.832 -18.388 0.380 490 HA ASP 64 HA ASP 64 -7.390 -19.808 0.879 491 HB2 ASP 64 1HB ASP 64 -5.337 -18.356 2.575 492 HB3 ASP 64 2HB ASP 64 -6.968 -18.625 3.192 493 H ALA 65 H ALA 65 -6.553 -16.654 -0.426 494 HA ALA 65 HA ALA 65 -7.810 -15.021 -1.040 495 HB1 ALA 65 1HB ALA 65 -9.741 -16.623 -1.314 496 HB2 ALA 65 2HB ALA 65 -10.236 -16.229 0.340 497 HB3 ALA 65 3HB ALA 65 -10.216 -14.969 -0.885 498 H HIS 66 H HIS 66 -6.945 -15.792 2.041 499 HA HIS 66 HA HIS 66 -7.961 -13.299 3.236 500 HB2 HIS 66 1HB HIS 66 -7.097 -14.109 5.310 501 HB3 HIS 66 2HB HIS 66 -8.134 -15.300 4.582 502 HD1 HIS 66 1HD HIS 66 -7.129 -17.461 5.669 503 HD2 HIS 66 2HD HIS 66 -4.279 -14.921 3.877 504 HE1 HIS 66 1HE HIS 66 -4.900 -18.683 5.753 505 H TRP 67 H TRP 67 -6.433 -11.994 4.460 506 HA TRP 67 HA TRP 67 -3.894 -11.536 2.978 507 HB2 TRP 67 1HB TRP 67 -5.815 -9.693 4.413 508 HB3 TRP 67 2HB TRP 67 -4.143 -9.246 4.121 509 HD1 TRP 67 HD TRP 67 -7.393 -9.920 2.155 510 HE1 TRP 67 1HE TRP 67 -7.145 -8.993 -0.221 511 HE3 TRP 67 3HE TRP 67 -2.428 -8.846 2.292 512 HZ2 TRP 67 2HZ TRP 67 -5.019 -7.756 -1.812 513 HZ3 TRP 67 3HZ TRP 67 -1.292 -7.842 0.367 514 HH2 TRP 67 HH TRP 67 -2.589 -7.219 -1.675 515 H HIS 68 H HIS 68 -2.450 -12.776 4.096 516 HA HIS 68 HA HIS 68 -2.810 -13.249 6.961 517 HB2 HIS 68 1HB HIS 68 -2.159 -15.064 5.415 518 HB3 HIS 68 2HB HIS 68 -0.722 -14.169 4.934 519 HD1 HIS 68 1HD HIS 68 1.303 -14.113 6.682 520 HD2 HIS 68 2HD HIS 68 -2.162 -16.197 7.904 521 HE1 HIS 68 1HE HIS 68 1.885 -15.285 8.861 522 HA PRO 69 HA PRO 69 0.161 -10.015 8.136 523 HB2 PRO 69 1HB PRO 69 0.976 -10.926 10.605 524 HB3 PRO 69 2HB PRO 69 -0.558 -10.090 10.274 525 HG2 PRO 69 1HG PRO 69 -0.022 -13.071 10.422 526 HG3 PRO 69 2HG PRO 69 -1.342 -12.172 11.233 527 HD2 PRO 69 1HD PRO 69 -1.781 -13.504 8.932 528 HD3 PRO 69 2HD PRO 69 -2.507 -11.891 9.175 529 H ALA 70 H ALA 70 1.890 -9.992 6.975 530 HA ALA 70 HA ALA 70 3.962 -12.078 6.980 531 HB1 ALA 70 1HB ALA 70 3.512 -11.139 4.865 532 HB2 ALA 70 2HB ALA 70 3.439 -9.504 5.498 533 HB3 ALA 70 3HB ALA 70 5.008 -10.336 5.389 534 H ALA 71 H ALA 71 3.200 -10.354 9.434 535 HA ALA 71 HA ALA 71 4.159 -9.483 11.240 536 HB1 ALA 71 1HB ALA 71 6.817 -10.291 9.986 537 HB2 ALA 71 2HB ALA 71 6.592 -9.830 11.659 538 HB3 ALA 71 3HB ALA 71 5.785 -11.276 11.049 539 HA PRO 72 HA PRO 72 4.991 -5.315 10.366 540 HB2 PRO 72 1HB PRO 72 6.770 -4.420 12.250 541 HB3 PRO 72 2HB PRO 72 5.002 -4.686 12.546 542 HG2 PRO 72 1HG PRO 72 7.303 -6.573 13.149 543 HG3 PRO 72 2HG PRO 72 5.942 -6.107 14.217 544 HD2 PRO 72 1HD PRO 72 5.814 -8.391 12.849 545 HD3 PRO 72 2HD PRO 72 4.380 -7.342 12.903 546 H LEU 73 H LEU 73 6.558 -3.757 9.717 547 HA LEU 73 HA LEU 73 8.927 -4.958 8.436 548 HB2 LEU 73 1HB LEU 73 6.804 -4.199 7.126 549 HB3 LEU 73 2HB LEU 73 7.262 -2.573 7.547 550 HG LEU 73 HG LEU 73 9.440 -2.886 6.333 551 HD11 LEU 73 1HD1 LEU 73 9.410 -5.411 6.245 552 HD12 LEU 73 2HD1 LEU 73 9.573 -4.673 4.647 553 HD13 LEU 73 3HD1 LEU 73 8.015 -5.334 5.181 554 HD21 LEU 73 3HD2 LEU 73 8.348 -2.625 4.086 555 HD22 LEU 73 1HD2 LEU 73 7.637 -1.608 5.357 556 HD23 LEU 73 2HD2 LEU 73 6.810 -3.082 4.828 557 HA PRO 74 HA PRO 74 11.299 -1.730 10.503 558 HB2 PRO 74 1HB PRO 74 13.461 -1.446 8.803 559 HB3 PRO 74 2HB PRO 74 13.251 -2.826 9.890 560 HG2 PRO 74 1HG PRO 74 12.511 -2.676 6.958 561 HG3 PRO 74 2HG PRO 74 13.450 -3.941 7.814 562 HD2 PRO 74 1HD PRO 74 10.838 -4.282 7.352 563 HD3 PRO 74 2HD PRO 74 11.530 -4.765 8.913 564 HA PRO 75 HA PRO 75 10.200 2.122 8.675 565 HB2 PRO 75 1HB PRO 75 12.377 3.774 9.103 566 HB3 PRO 75 2HB PRO 75 11.194 3.271 10.347 567 HG2 PRO 75 1HG PRO 75 13.885 2.030 9.778 568 HG3 PRO 75 2HG PRO 75 13.200 2.527 11.362 569 HD2 PRO 75 1HD PRO 75 13.069 -0.034 10.564 570 HD3 PRO 75 2HD PRO 75 11.651 0.715 11.351 571 H GLU 76 H GLU 76 13.315 0.721 7.604 572 HA GLU 76 HA GLU 76 13.477 2.409 5.239 573 HB2 GLU 76 1HB GLU 76 15.432 1.039 4.720 574 HB3 GLU 76 2HB GLU 76 15.497 1.645 6.378 575 HG2 GLU 76 1HG GLU 76 14.663 -0.558 7.213 576 HG3 GLU 76 2HG GLU 76 14.764 -1.154 5.549 577 H GLY 77 H GLY 77 11.977 -0.683 6.130 578 HA2 GLY 77 1HA GLY 77 12.135 -1.889 3.596 579 HA3 GLY 77 2HA GLY 77 10.938 -2.278 4.837 580 H LEU 78 H LEU 78 9.923 0.513 4.852 581 HA LEU 78 HA LEU 78 7.867 0.548 2.864 582 HB2 LEU 78 1HB LEU 78 7.665 1.836 4.897 583 HB3 LEU 78 2HB LEU 78 9.173 2.694 4.584 584 HG LEU 78 HG LEU 78 8.165 3.868 2.667 585 HD11 LEU 78 1HD1 LEU 78 5.689 3.769 2.332 586 HD12 LEU 78 2HD1 LEU 78 5.609 2.399 3.467 587 HD13 LEU 78 3HD1 LEU 78 6.484 2.248 1.919 588 HD21 LEU 78 3HD2 LEU 78 6.676 5.320 3.955 589 HD22 LEU 78 1HD2 LEU 78 8.081 4.857 4.924 590 HD23 LEU 78 2HD2 LEU 78 6.512 4.071 5.216 591 H ASN 79 H ASN 79 10.994 2.351 3.084 592 HA ASN 79 HA ASN 79 10.692 3.715 0.699 593 HB2 ASN 79 1HB ASN 79 13.242 2.987 2.145 594 HB3 ASN 79 2HB ASN 79 13.080 4.145 0.827 595 HD21 ASN 79 1HD2 ASN 79 14.014 5.690 2.453 596 HD22 ASN 79 2HD2 ASN 79 12.924 6.279 3.734 597 H ASP 80 H ASP 80 11.822 0.424 1.266 598 HA ASP 80 HA ASP 80 13.123 0.055 -1.313 599 HB2 ASP 80 1HB ASP 80 11.950 -1.980 0.646 600 HB3 ASP 80 2HB ASP 80 12.930 -2.364 -0.773 601 H LEU 81 H LEU 81 9.750 0.040 -0.331 602 HA LEU 81 HA LEU 81 8.903 -1.200 -2.875 603 HB2 LEU 81 1HB LEU 81 7.414 0.052 -0.529 604 HB3 LEU 81 2HB LEU 81 6.618 -0.423 -2.018 605 HG LEU 81 HG LEU 81 8.250 -2.390 -0.369 606 HD11 LEU 81 1HD1 LEU 81 6.129 -3.232 0.539 607 HD12 LEU 81 2HD1 LEU 81 5.247 -1.910 -0.269 608 HD13 LEU 81 3HD1 LEU 81 6.415 -1.557 1.023 609 HD21 LEU 81 3HD2 LEU 81 6.169 -2.686 -2.583 610 HD22 LEU 81 1HD2 LEU 81 6.823 -4.026 -1.621 611 HD23 LEU 81 2HD2 LEU 81 7.911 -3.102 -2.652 612 H ILE 82 H ILE 82 8.832 1.967 -1.232 613 HA ILE 82 HA ILE 82 7.775 3.592 -3.245 614 HB ILE 82 HB ILE 82 9.672 3.962 -0.980 615 HG12 ILE 82 1HG1 ILE 82 7.178 3.566 -0.692 616 HG13 ILE 82 2HG1 ILE 82 7.890 4.906 0.169 617 HG21 ILE 82 1HG2 ILE 82 8.961 6.252 -2.802 618 HG22 ILE 82 2HG2 ILE 82 9.547 6.440 -1.143 619 HG23 ILE 82 3HG2 ILE 82 10.567 5.666 -2.354 620 HD11 ILE 82 3HD1 ILE 82 5.751 5.561 -0.776 621 HD12 ILE 82 1HD1 ILE 82 6.996 6.499 -1.572 622 HD13 ILE 82 2HD1 ILE 82 6.270 5.139 -2.419 623 H ARG 83 H ARG 83 11.172 2.590 -2.831 624 HA ARG 83 HA ARG 83 12.452 4.009 -4.769 625 HB2 ARG 83 1HB ARG 83 12.850 1.508 -3.356 626 HB3 ARG 83 2HB ARG 83 13.241 1.189 -4.996 627 HG2 ARG 83 1HG ARG 83 14.490 3.724 -4.136 628 HG3 ARG 83 2HG ARG 83 14.813 2.433 -2.991 629 HD2 ARG 83 1HD ARG 83 16.606 2.417 -4.554 630 HD3 ARG 83 2HD ARG 83 15.619 0.989 -4.885 631 HE ARG 83 HE ARG 83 14.978 3.397 -6.460 632 HH11 ARG 83 1HH1 ARG 83 16.977 0.375 -6.463 633 HH12 ARG 83 2HH1 ARG 83 17.174 0.476 -8.185 634 HH21 ARG 83 1HH2 ARG 83 15.430 3.409 -8.740 635 HH22 ARG 83 2HH2 ARG 83 16.106 1.990 -9.448 636 H ALA 84 H ALA 84 10.240 1.276 -5.383 637 HA ALA 84 HA ALA 84 10.834 1.230 -8.215 638 HB1 ALA 84 1HB ALA 84 9.147 -0.510 -8.300 639 HB2 ALA 84 2HB ALA 84 10.118 -0.774 -6.851 640 HB3 ALA 84 3HB ALA 84 8.504 -0.030 -6.709 641 H HIS 85 H HIS 85 8.112 2.639 -6.275 642 HA HIS 85 HA HIS 85 6.640 3.453 -8.620 643 HB2 HIS 85 1HB HIS 85 5.455 3.277 -6.595 644 HB3 HIS 85 2HB HIS 85 6.548 4.346 -5.731 645 HD1 HIS 85 1HD HIS 85 3.093 4.624 -7.233 646 HD2 HIS 85 2HD HIS 85 6.556 7.032 -6.753 647 HE1 HIS 85 1HE HIS 85 2.368 6.980 -7.393 648 H CYS 86 H CYS 86 9.090 5.053 -6.529 649 HA CYS 86 HA CYS 86 9.050 7.500 -8.029 650 HB2 CYS 86 1HB CYS 86 11.258 6.177 -6.368 651 HB3 CYS 86 2HB CYS 86 11.395 7.812 -7.030 652 HG CYS 86 HG CYS 86 10.888 7.987 -4.493 653 H ALA 87 H ALA 87 11.029 4.506 -8.454 654 HA ALA 87 HA ALA 87 12.629 5.605 -10.514 655 HB1 ALA 87 1HB ALA 87 13.181 3.222 -10.987 656 HB2 ALA 87 2HB ALA 87 13.281 3.593 -9.256 657 HB3 ALA 87 3HB ALA 87 11.881 2.705 -9.903 658 H THR 88 H THR 88 9.390 4.065 -10.664 659 HA THR 88 HA THR 88 9.673 3.706 -13.541 660 HB THR 88 HB THR 88 8.353 2.193 -12.166 661 HG1 THR 88 1HG THR 88 6.577 3.337 -14.004 662 HG21 THR 88 3HG2 THR 88 6.037 2.645 -11.579 663 HG22 THR 88 1HG2 THR 88 6.205 4.342 -12.057 664 HG23 THR 88 2HG2 THR 88 7.129 3.697 -10.684 665 H LEU 89 H LEU 89 8.325 6.231 -11.399 666 HA LEU 89 HA LEU 89 7.179 7.651 -13.720 667 HB2 LEU 89 1HB LEU 89 7.250 8.414 -10.779 668 HB3 LEU 89 2HB LEU 89 6.311 9.204 -12.051 669 HG LEU 89 HG LEU 89 5.980 6.347 -11.058 670 HD11 LEU 89 1HD1 LEU 89 3.826 7.046 -10.215 671 HD12 LEU 89 2HD1 LEU 89 4.120 8.709 -10.780 672 HD13 LEU 89 3HD1 LEU 89 5.146 7.991 -9.517 673 HD21 LEU 89 3HD2 LEU 89 4.397 7.855 -13.193 674 HD22 LEU 89 1HD2 LEU 89 3.916 6.297 -12.503 675 HD23 LEU 89 2HD2 LEU 89 5.395 6.410 -13.459 676 H GLY 90 H GLY 90 9.640 8.282 -11.213 677 HA2 GLY 90 1HA GLY 90 11.816 9.139 -11.889 678 HA3 GLY 90 2HA GLY 90 10.999 10.233 -13.022 679 H HIS 91 H HIS 91 10.692 9.301 -9.540 680 HA HIS 91 HA HIS 91 10.266 12.194 -8.866 681 HB2 HIS 91 1HB HIS 91 9.193 9.703 -7.506 682 HB3 HIS 91 2HB HIS 91 8.932 11.356 -6.983 683 HD1 HIS 91 1HD HIS 91 8.265 12.414 -10.148 684 HD2 HIS 91 2HD HIS 91 6.531 9.366 -7.780 685 HE1 HIS 91 1HE HIS 91 5.865 12.172 -10.896 686 H CYS 92 H CYS 92 10.861 12.749 -6.594 687 HA CYS 92 HA CYS 92 13.538 11.601 -6.015 688 HB2 CYS 92 1HB CYS 92 12.542 14.461 -5.777 689 HB3 CYS 92 2HB CYS 92 14.183 13.881 -5.408 690 HG CYS 92 HG CYS 92 12.516 13.903 -8.246 691 H CYS 93 H CYS 93 13.944 13.126 -3.608 692 HA CYS 93 HA CYS 93 12.287 11.501 -1.746 693 HB2 CYS 93 1HB CYS 93 14.654 11.143 -0.642 694 HB3 CYS 93 2HB CYS 93 14.160 10.139 -2.016 695 HG CYS 93 HG CYS 93 16.199 12.702 -1.890 696 H THR 94 H THR 94 11.244 12.838 -0.630 697 HA THR 94 HA THR 94 12.124 15.538 -0.046 698 HB THR 94 HB THR 94 9.943 15.214 -0.895 699 HG1 THR 94 1HG THR 94 8.723 16.114 0.805 700 HG21 THR 94 3HG2 THR 94 9.512 12.876 -0.336 701 HG22 THR 94 1HG2 THR 94 8.173 13.917 0.180 702 HG23 THR 94 2HG2 THR 94 9.319 13.300 1.380 703 H SER 95 H SER 95 13.981 14.680 1.151 704 HA SER 95 HA SER 95 15.137 14.501 3.029 705 HB2 SER 95 1HB SER 95 13.690 16.319 3.853 706 HB3 SER 95 2HB SER 95 12.529 15.145 4.462 707 HG SER 95 HG SER 95 15.224 15.291 5.323 708 H LYS 96 H LYS 96 15.280 13.203 5.136 709 HA LYS 96 HA LYS 96 15.969 11.182 5.729 710 HB2 LYS 96 1HB LYS 96 13.118 10.397 5.028 711 HB3 LYS 96 2HB LYS 96 14.290 9.259 5.684 712 HG2 LYS 96 1HG LYS 96 13.147 9.855 7.541 713 HG3 LYS 96 2HG LYS 96 14.614 10.824 7.634 714 HD2 LYS 96 1HD LYS 96 13.395 12.848 7.036 715 HD3 LYS 96 2HD LYS 96 11.968 11.896 6.592 716 HE2 LYS 96 1HE LYS 96 11.576 12.857 8.788 717 HE3 LYS 96 2HE LYS 96 11.775 11.109 8.944 718 HZ1 LYS 96 3HZ LYS 96 14.091 11.546 9.663 719 HZ2 LYS 96 1HZ LYS 96 12.973 12.197 10.653 720 HZ3 LYS 96 2HZ LYS 96 13.768 13.175 9.626 721 H MET 97 H MET 97 15.743 8.639 4.600 722 HA MET 97 HA MET 97 17.329 8.946 2.254 723 HB2 MET 97 1HB MET 97 15.717 6.485 2.981 724 HB3 MET 97 2HB MET 97 17.161 6.529 1.999 725 HG2 MET 97 1HG MET 97 18.560 6.492 3.772 726 HG3 MET 97 2HG MET 97 17.522 7.471 4.802 727 HE1 MET 97 3HE MET 97 15.622 6.602 6.336 728 HE2 MET 97 1HE MET 97 14.745 6.047 4.901 729 HE3 MET 97 2HE MET 97 14.965 4.949 6.275 730 H HIS 98 H HIS 98 14.106 9.192 2.595 731 HA HIS 98 HA HIS 98 13.390 9.541 -0.075 732 HB2 HIS 98 1HB HIS 98 13.353 6.762 0.563 733 HB3 HIS 98 2HB HIS 98 11.682 7.286 0.387 734 HD1 HIS 98 1HD HIS 98 14.355 5.941 -1.677 735 HD2 HIS 98 2HD HIS 98 11.530 9.049 -2.028 736 HE1 HIS 98 1HE HIS 98 14.145 6.454 -4.160 737 H LEU 99 H LEU 99 12.077 8.364 3.003 738 HA LEU 99 HA LEU 99 9.992 10.474 3.216 739 HB2 LEU 99 1HB LEU 99 9.553 7.468 3.079 740 HB3 LEU 99 2HB LEU 99 8.358 8.632 3.641 741 HG LEU 99 HG LEU 99 9.511 8.559 0.819 742 HD11 LEU 99 1HD1 LEU 99 7.247 7.697 0.303 743 HD12 LEU 99 2HD1 LEU 99 6.920 7.671 2.059 744 HD13 LEU 99 3HD1 LEU 99 8.189 6.635 1.388 745 HD21 LEU 99 3HD2 LEU 99 7.288 10.255 2.095 746 HD22 LEU 99 1HD2 LEU 99 7.548 10.113 0.354 747 HD23 LEU 99 2HD2 LEU 99 8.794 10.850 1.365 748 H HIS 100 H HIS 100 9.019 10.475 5.276 749 HA HIS 100 HA HIS 100 10.623 9.325 7.448 750 HB2 HIS 100 1HB HIS 100 9.697 11.651 7.482 751 HB3 HIS 100 2HB HIS 100 8.081 10.972 7.391 752 HD1 HIS 100 1HD HIS 100 7.261 11.989 9.579 753 HD2 HIS 100 2HD HIS 100 10.650 9.503 9.931 754 HE1 HIS 100 1HE HIS 100 7.672 11.666 12.072 755 H SER 101 H SER 101 7.547 8.687 5.842 756 HA SER 101 HA SER 101 7.039 6.246 7.309 757 HB2 SER 101 1HB SER 101 6.724 8.098 9.106 758 HB3 SER 101 2HB SER 101 5.252 8.486 8.220 759 HG SER 101 HG SER 101 5.877 6.366 9.891 760 H VAL 102 H VAL 102 4.384 5.751 7.235 761 HA VAL 102 HA VAL 102 3.794 5.631 4.438 762 HB VAL 102 HB VAL 102 2.025 5.031 6.846 763 HG11 VAL 102 1HG1 VAL 102 0.772 3.536 5.355 764 HG12 VAL 102 2HG1 VAL 102 0.725 5.174 4.701 765 HG13 VAL 102 3HG1 VAL 102 1.816 3.982 3.991 766 HG21 VAL 102 3HG2 VAL 102 3.901 3.233 5.275 767 HG22 VAL 102 1HG2 VAL 102 4.059 3.689 6.988 768 HG23 VAL 102 2HG2 VAL 102 2.720 2.666 6.472 769 H MET 103 H MET 103 2.548 7.732 7.114 770 HA MET 103 HA MET 103 0.446 8.952 5.615 771 HB2 MET 103 1HB MET 103 0.866 9.125 8.109 772 HB3 MET 103 2HB MET 103 2.211 10.205 7.758 773 HG2 MET 103 1HG MET 103 0.842 11.960 7.613 774 HG3 MET 103 2HG MET 103 -0.143 11.187 6.381 775 HE1 MET 103 3HE MET 103 -2.346 9.898 6.783 776 HE2 MET 103 1HE MET 103 -1.423 8.691 7.713 777 HE3 MET 103 2HE MET 103 -2.918 9.371 8.382 778 H ASP 104 H ASP 104 3.845 9.705 6.059 779 HA ASP 104 HA ASP 104 4.231 11.997 4.499 780 HB2 ASP 104 1HB ASP 104 5.774 10.043 5.936 781 HB3 ASP 104 2HB ASP 104 6.458 10.092 4.320 782 H ALA 105 H ALA 105 4.482 8.536 3.599 783 HA ALA 105 HA ALA 105 5.104 8.864 0.882 784 HB1 ALA 105 1HB ALA 105 5.116 6.644 2.277 785 HB2 ALA 105 2HB ALA 105 3.382 6.603 2.061 786 HB3 ALA 105 3HB ALA 105 4.414 6.529 0.645 787 H ILE 106 H ILE 106 1.885 8.281 2.359 788 HA ILE 106 HA ILE 106 0.452 8.248 -0.086 789 HB ILE 106 HB ILE 106 -0.312 8.917 2.780 790 HG12 ILE 106 1HG1 ILE 106 0.610 6.554 2.074 791 HG13 ILE 106 2HG1 ILE 106 -0.723 6.730 3.163 792 HG21 ILE 106 1HG2 ILE 106 -2.661 8.473 2.210 793 HG22 ILE 106 2HG2 ILE 106 -2.034 9.888 1.367 794 HG23 ILE 106 3HG2 ILE 106 -2.234 8.377 0.479 795 HD11 ILE 106 3HD1 ILE 106 -2.299 6.180 1.302 796 HD12 ILE 106 1HD1 ILE 106 -0.912 6.133 0.186 797 HD13 ILE 106 2HD1 ILE 106 -1.048 4.943 1.494 798 H ASP 107 H ASP 107 1.278 10.896 2.175 799 HA ASP 107 HA ASP 107 -0.132 13.017 0.932 800 HB2 ASP 107 1HB ASP 107 0.969 13.046 3.168 801 HB3 ASP 107 2HB ASP 107 2.500 13.138 2.372 802 H PHE 108 H PHE 108 3.150 11.855 0.614 803 HA PHE 108 HA PHE 108 4.170 13.597 -1.351 804 HB2 PHE 108 1HB PHE 108 5.578 12.042 0.026 805 HB3 PHE 108 2HB PHE 108 4.950 10.693 -0.858 806 HD1 PHE 108 1HD PHE 108 6.502 14.023 -1.738 807 HD2 PHE 108 2HD PHE 108 6.386 9.769 -2.456 808 HE1 PHE 108 1HE PHE 108 8.313 14.260 -3.409 809 HE2 PHE 108 2HE PHE 108 8.186 10.016 -4.154 810 HZ PHE 108 HZ PHE 108 9.138 12.258 -4.621 811 H LEU 109 H LEU 109 3.130 10.176 -2.040 812 HA LEU 109 HA LEU 109 3.089 10.276 -4.783 813 HB2 LEU 109 1HB LEU 109 1.380 8.785 -2.746 814 HB3 LEU 109 2HB LEU 109 1.154 8.623 -4.479 815 HG LEU 109 HG LEU 109 3.678 8.079 -4.617 816 HD11 LEU 109 1HD1 LEU 109 4.744 6.990 -2.863 817 HD12 LEU 109 2HD1 LEU 109 3.394 7.356 -1.737 818 HD13 LEU 109 3HD1 LEU 109 4.407 8.652 -2.414 819 HD21 LEU 109 3HD2 LEU 109 3.165 5.697 -4.243 820 HD22 LEU 109 1HD2 LEU 109 1.768 6.485 -4.961 821 HD23 LEU 109 2HD2 LEU 109 1.743 6.165 -3.223 822 H ASN 110 H ASN 110 0.357 11.189 -2.610 823 HA ASN 110 HA ASN 110 -1.281 11.859 -4.931 824 HB2 ASN 110 1HB ASN 110 -1.673 12.166 -1.931 825 HB3 ASN 110 2HB ASN 110 -2.859 12.723 -3.094 826 HD21 ASN 110 1HD2 ASN 110 -1.843 10.004 -1.317 827 HD22 ASN 110 2HD2 ASN 110 -3.054 8.911 -2.059 828 H ALA 111 H ALA 111 1.197 13.606 -3.431 829 HA ALA 111 HA ALA 111 0.016 16.211 -4.294 830 HB1 ALA 111 1HB ALA 111 2.562 15.592 -2.741 831 HB2 ALA 111 2HB ALA 111 1.964 17.193 -3.216 832 HB3 ALA 111 3HB ALA 111 1.039 16.220 -2.058 833 H LEU 112 H LEU 112 2.389 13.729 -5.103 834 HA LEU 112 HA LEU 112 3.920 15.196 -7.020 835 HB2 LEU 112 1HB LEU 112 3.212 12.246 -6.737 836 HB3 LEU 112 2HB LEU 112 4.259 12.848 -8.007 837 HG LEU 112 HG LEU 112 4.920 13.353 -5.089 838 HD11 LEU 112 1HD1 LEU 112 6.562 11.275 -5.900 839 HD12 LEU 112 2HD1 LEU 112 5.002 10.804 -6.590 840 HD13 LEU 112 3HD1 LEU 112 5.138 11.126 -4.860 841 HD21 LEU 112 3HD2 LEU 112 7.185 13.592 -5.982 842 HD22 LEU 112 1HD2 LEU 112 6.057 14.734 -6.715 843 HD23 LEU 112 2HD2 LEU 112 6.572 13.299 -7.629 844 H GLU 113 H GLU 113 1.162 12.890 -7.417 845 HA GLU 113 HA GLU 113 1.109 13.463 -10.191 846 HB2 GLU 113 1HB GLU 113 -0.598 11.927 -10.419 847 HB3 GLU 113 2HB GLU 113 0.453 11.284 -9.174 848 HG2 GLU 113 1HG GLU 113 -1.168 11.892 -7.430 849 HG3 GLU 113 2HG GLU 113 -2.225 12.643 -8.652 850 H GLY 114 H GLY 114 -0.408 14.500 -11.461 851 HA2 GLY 114 1HA GLY 114 -2.295 15.906 -11.965 852 HA3 GLY 114 2HA GLY 114 -2.601 16.086 -10.217 Start of MODEL 7 1 H1 MET 1 H MET 1 -19.816 -0.599 5.537 2 HA MET 1 HA MET 1 -18.058 0.414 6.834 3 HB2 MET 1 1HB MET 1 -19.209 0.890 8.879 4 HB3 MET 1 2HB MET 1 -20.268 0.960 7.494 5 HG2 MET 1 1HG MET 1 -20.698 -1.639 8.328 6 HG3 MET 1 2HG MET 1 -20.292 -0.862 9.855 7 HE1 MET 1 3HE MET 1 -22.793 -1.278 6.922 8 HE2 MET 1 1HE MET 1 -23.794 0.187 7.037 9 HE3 MET 1 2HE MET 1 -22.074 0.313 6.598 10 H GLY 2 H GLY 2 -16.137 -0.060 7.840 11 HA2 GLY 2 1HA GLY 2 -14.615 -1.073 9.206 12 HA3 GLY 2 2HA GLY 2 -15.954 -1.740 10.126 13 H ALA 3 H ALA 3 -14.271 -3.482 10.324 14 HA ALA 3 HA ALA 3 -13.113 -4.978 8.359 15 HB1 ALA 3 1HB ALA 3 -12.543 -5.081 10.748 16 HB2 ALA 3 2HB ALA 3 -14.059 -5.962 11.074 17 HB3 ALA 3 3HB ALA 3 -12.802 -6.684 10.046 18 H GLY 4 H GLY 4 -13.633 -6.637 7.049 19 HA2 GLY 4 1HA GLY 4 -15.493 -8.413 6.563 20 HA3 GLY 4 2HA GLY 4 -16.561 -7.005 6.618 21 H GLN 5 H GLN 5 -15.881 -5.091 5.270 22 HA GLN 5 HA GLN 5 -15.226 -6.076 2.591 23 HB2 GLN 5 1HB GLN 5 -16.147 -3.336 3.570 24 HB3 GLN 5 2HB GLN 5 -15.804 -3.747 1.880 25 HG2 GLN 5 1HG GLN 5 -17.551 -5.528 1.992 26 HG3 GLN 5 2HG GLN 5 -18.005 -4.925 3.593 27 HE21 GLN 5 1HE2 GLN 5 -20.087 -4.319 2.848 28 HE22 GLN 5 2HE2 GLN 5 -20.325 -2.987 1.699 29 H THR 6 H THR 6 -13.246 -5.536 4.897 30 HA THR 6 HA THR 6 -11.278 -4.039 3.244 31 HB THR 6 HB THR 6 -10.275 -3.263 5.416 32 HG1 THR 6 1HG THR 6 -11.124 -3.829 7.185 33 HG21 THR 6 3HG2 THR 6 -11.754 -1.395 5.571 34 HG22 THR 6 1HG2 THR 6 -13.144 -2.342 4.986 35 HG23 THR 6 2HG2 THR 6 -11.804 -1.943 3.891 36 HA PRO 7 HA PRO 7 -8.673 -7.529 3.669 37 HB2 PRO 7 1HB PRO 7 -6.197 -6.476 3.186 38 HB3 PRO 7 2HB PRO 7 -7.479 -6.646 1.946 39 HG2 PRO 7 1HG PRO 7 -6.783 -4.163 3.529 40 HG3 PRO 7 2HG PRO 7 -7.053 -4.332 1.760 41 HD2 PRO 7 1HD PRO 7 -9.001 -3.484 3.459 42 HD3 PRO 7 2HD PRO 7 -9.355 -4.514 2.043 43 H HIS 8 H HIS 8 -9.038 -7.987 5.890 44 HA HIS 8 HA HIS 8 -8.300 -8.712 7.864 45 HB2 HIS 8 1HB HIS 8 -5.900 -8.171 6.751 46 HB3 HIS 8 2HB HIS 8 -5.885 -6.930 7.960 47 HD1 HIS 8 1HD HIS 8 -4.759 -7.700 10.077 48 HD2 HIS 8 2HD HIS 8 -6.426 -10.830 7.836 49 HE1 HIS 8 1HE HIS 8 -4.300 -9.800 11.397 50 HA PRO 9 HA PRO 9 -9.887 -5.421 10.413 51 HB2 PRO 9 1HB PRO 9 -9.960 -6.565 12.884 52 HB3 PRO 9 2HB PRO 9 -10.989 -7.106 11.532 53 HG2 PRO 9 1HG PRO 9 -8.349 -8.295 12.451 54 HG3 PRO 9 2HG PRO 9 -9.891 -9.147 12.119 55 HD2 PRO 9 1HD PRO 9 -7.906 -8.997 10.278 56 HD3 PRO 9 2HD PRO 9 -9.626 -8.947 9.796 57 H GLN 10 H GLN 10 -6.653 -6.717 11.178 58 HA GLN 10 HA GLN 10 -6.114 -4.494 13.023 59 HB2 GLN 10 1HB GLN 10 -4.448 -6.758 11.922 60 HB3 GLN 10 2HB GLN 10 -3.667 -5.291 12.504 61 HG2 GLN 10 1HG GLN 10 -5.261 -5.748 14.602 62 HG3 GLN 10 2HG GLN 10 -5.085 -7.403 14.034 63 HE21 GLN 10 1HE2 GLN 10 -2.231 -6.985 13.057 64 HE22 GLN 10 2HE2 GLN 10 -1.266 -6.707 14.483 65 H LEU 11 H LEU 11 -6.058 -4.875 9.484 66 HA LEU 11 HA LEU 11 -3.998 -3.103 8.912 67 HB2 LEU 11 1HB LEU 11 -5.072 -4.465 7.246 68 HB3 LEU 11 2HB LEU 11 -6.597 -3.604 7.416 69 HG LEU 11 HG LEU 11 -4.370 -1.754 6.793 70 HD11 LEU 11 1HD1 LEU 11 -4.970 -3.934 4.802 71 HD12 LEU 11 2HD1 LEU 11 -3.423 -3.667 5.622 72 HD13 LEU 11 3HD1 LEU 11 -4.029 -2.461 4.471 73 HD21 LEU 11 3HD2 LEU 11 -6.766 -1.159 6.593 74 HD22 LEU 11 1HD2 LEU 11 -6.960 -2.385 5.326 75 HD23 LEU 11 2HD2 LEU 11 -5.911 -0.977 5.057 76 H ILE 12 H ILE 12 -3.625 -0.961 9.128 77 HA ILE 12 HA ILE 12 -5.955 0.804 9.795 78 HB ILE 12 HB ILE 12 -3.039 1.153 10.572 79 HG12 ILE 12 1HG1 ILE 12 -3.877 -0.690 11.848 80 HG13 ILE 12 2HG1 ILE 12 -3.709 0.699 12.884 81 HG21 ILE 12 1HG2 ILE 12 -5.537 2.733 11.325 82 HG22 ILE 12 2HG2 ILE 12 -3.936 2.947 12.055 83 HG23 ILE 12 3HG2 ILE 12 -4.156 3.293 10.352 84 HD11 ILE 12 3HD1 ILE 12 -6.159 1.056 12.861 85 HD12 ILE 12 1HD1 ILE 12 -6.344 -0.351 11.776 86 HD13 ILE 12 2HD1 ILE 12 -5.735 -0.573 13.414 87 H TRP 13 H TRP 13 -6.481 2.126 8.170 88 HA TRP 13 HA TRP 13 -4.869 2.526 5.826 89 HB2 TRP 13 1HB TRP 13 -7.197 4.196 6.853 90 HB3 TRP 13 2HB TRP 13 -6.596 4.117 5.212 91 HD1 TRP 13 HD TRP 13 -8.867 2.305 7.608 92 HE1 TRP 13 1HE TRP 13 -9.994 0.366 6.497 93 HE3 TRP 13 3HE TRP 13 -6.261 2.386 3.215 94 HZ2 TRP 13 2HZ TRP 13 -9.590 -1.234 4.050 95 HZ3 TRP 13 3HZ TRP 13 -6.629 0.616 1.518 96 HH2 TRP 13 HH TRP 13 -8.277 -1.231 1.959 97 HA PRO 14 HA PRO 14 -4.729 4.417 4.307 98 HB2 PRO 14 1HB PRO 14 -2.390 5.248 3.227 99 HB3 PRO 14 2HB PRO 14 -3.774 6.302 3.590 100 HG2 PRO 14 1HG PRO 14 -1.268 5.889 5.239 101 HG3 PRO 14 2HG PRO 14 -2.119 7.429 4.890 102 HD2 PRO 14 1HD PRO 14 -2.436 6.061 7.219 103 HD3 PRO 14 2HD PRO 14 -3.796 6.951 6.461 104 H ALA 15 H ALA 15 -3.798 3.069 2.637 105 HA ALA 15 HA ALA 15 -1.745 1.149 3.590 106 HB1 ALA 15 1HB ALA 15 -2.886 -0.694 2.401 107 HB2 ALA 15 2HB ALA 15 -3.936 -0.013 3.664 108 HB3 ALA 15 3HB ALA 15 -4.207 0.400 1.953 109 H LEU 16 H LEU 16 -0.849 -0.027 1.758 110 HA LEU 16 HA LEU 16 -0.579 1.450 -0.780 111 HB2 LEU 16 1HB LEU 16 1.600 0.983 1.266 112 HB3 LEU 16 2HB LEU 16 2.002 0.923 -0.444 113 HG LEU 16 HG LEU 16 0.594 3.316 0.799 114 HD11 LEU 16 1HD1 LEU 16 2.753 4.437 0.865 115 HD12 LEU 16 2HD1 LEU 16 3.571 2.989 0.240 116 HD13 LEU 16 3HD1 LEU 16 2.824 2.970 1.855 117 HD21 LEU 16 3HD2 LEU 16 0.416 3.086 -1.698 118 HD22 LEU 16 1HD2 LEU 16 2.172 2.967 -1.790 119 HD23 LEU 16 2HD2 LEU 16 1.413 4.472 -1.235 120 H LEU 17 H LEU 17 -1.623 -0.117 -1.788 121 HA LEU 17 HA LEU 17 -0.681 -2.922 -1.881 122 HB2 LEU 17 1HB LEU 17 -3.065 -2.304 -2.395 123 HB3 LEU 17 2HB LEU 17 -2.479 -1.217 -3.637 124 HG LEU 17 HG LEU 17 -1.521 -3.248 -4.861 125 HD11 LEU 17 1HD1 LEU 17 -2.575 -5.421 -4.322 126 HD12 LEU 17 2HD1 LEU 17 -3.305 -4.726 -2.865 127 HD13 LEU 17 3HD1 LEU 17 -1.537 -4.880 -2.998 128 HD21 LEU 17 3HD2 LEU 17 -4.535 -3.104 -4.393 129 HD22 LEU 17 1HD2 LEU 17 -3.729 -3.874 -5.777 130 HD23 LEU 17 2HD2 LEU 17 -3.601 -2.131 -5.547 131 H LYS 18 H LYS 18 0.905 -3.603 -3.526 132 HA LYS 18 HA LYS 18 1.514 -1.622 -5.599 133 HB2 LYS 18 1HB LYS 18 3.221 -1.398 -3.586 134 HB3 LYS 18 2HB LYS 18 3.891 -2.922 -4.194 135 HG2 LYS 18 1HG LYS 18 3.524 -0.444 -5.862 136 HG3 LYS 18 2HG LYS 18 5.014 -0.886 -5.033 137 HD2 LYS 18 1HD LYS 18 3.670 -2.396 -7.311 138 HD3 LYS 18 2HD LYS 18 5.169 -1.482 -7.358 139 HE2 LYS 18 1HE LYS 18 4.700 -4.060 -5.828 140 HE3 LYS 18 2HE LYS 18 5.654 -3.804 -7.288 141 HZ1 LYS 18 3HZ LYS 18 6.867 -3.895 -5.082 142 HZ2 LYS 18 1HZ LYS 18 6.350 -2.356 -4.856 143 HZ3 LYS 18 2HZ LYS 18 7.288 -2.754 -6.178 144 H GLN 19 H GLN 19 0.581 -2.983 -7.144 145 HA GLN 19 HA GLN 19 0.241 -5.712 -6.601 146 HB2 GLN 19 1HB GLN 19 0.216 -4.153 -9.231 147 HB3 GLN 19 2HB GLN 19 -0.089 -5.876 -9.144 148 HG2 GLN 19 1HG GLN 19 -1.858 -5.073 -7.243 149 HG3 GLN 19 2HG GLN 19 -1.833 -3.632 -8.277 150 HE21 GLN 19 1HE2 GLN 19 -2.796 -6.983 -7.976 151 HE22 GLN 19 2HE2 GLN 19 -3.562 -7.100 -9.548 152 H GLN 20 H GLN 20 1.404 -7.610 -7.061 153 HA GLN 20 HA GLN 20 4.177 -7.248 -7.602 154 HB2 GLN 20 1HB GLN 20 2.359 -9.414 -6.860 155 HB3 GLN 20 2HB GLN 20 3.414 -9.940 -8.169 156 HG2 GLN 20 1HG GLN 20 4.285 -10.322 -5.806 157 HG3 GLN 20 2HG GLN 20 5.372 -9.509 -6.945 158 HE21 GLN 20 1HE2 GLN 20 2.968 -8.732 -4.364 159 HE22 GLN 20 2HE2 GLN 20 3.769 -7.225 -3.919 160 H GLY 21 H GLY 21 5.296 -7.306 -9.268 161 HA2 GLY 21 1HA GLY 21 5.880 -7.624 -11.549 162 HA3 GLY 21 2HA GLY 21 4.177 -7.646 -12.012 163 H CYS 22 H CYS 22 3.260 -5.291 -10.566 164 HA CYS 22 HA CYS 22 4.217 -3.209 -12.328 165 HB2 CYS 22 1HB CYS 22 2.454 -3.099 -9.822 166 HB3 CYS 22 2HB CYS 22 2.650 -1.818 -11.007 167 HG CYS 22 HG CYS 22 0.329 -2.826 -11.443 168 H ASN 23 H ASN 23 4.981 -1.170 -11.445 169 HA ASN 23 HA ASN 23 6.774 -1.449 -9.065 170 HB2 ASN 23 1HB ASN 23 7.187 0.709 -11.188 171 HB3 ASN 23 2HB ASN 23 8.327 0.046 -10.113 172 HD21 ASN 23 1HD2 ASN 23 6.468 -0.629 -13.072 173 HD22 ASN 23 2HD2 ASN 23 7.491 -1.925 -13.634 174 H GLU 24 H GLU 24 4.338 0.343 -10.827 175 HA GLU 24 HA GLU 24 4.095 2.694 -9.278 176 HB2 GLU 24 1HB GLU 24 3.327 2.000 -11.613 177 HB3 GLU 24 2HB GLU 24 1.969 1.173 -10.857 178 HG2 GLU 24 1HG GLU 24 1.089 3.306 -10.070 179 HG3 GLU 24 2HG GLU 24 2.619 4.119 -10.486 180 H LEU 25 H LEU 25 2.560 3.158 -7.630 181 HA LEU 25 HA LEU 25 1.875 0.868 -5.871 182 HB2 LEU 25 1HB LEU 25 1.812 3.789 -5.103 183 HB3 LEU 25 2HB LEU 25 2.017 2.373 -4.069 184 HG LEU 25 HG LEU 25 4.022 3.751 -5.866 185 HD11 LEU 25 1HD1 LEU 25 4.124 3.323 -2.869 186 HD12 LEU 25 2HD1 LEU 25 3.442 4.756 -3.672 187 HD13 LEU 25 3HD1 LEU 25 5.152 4.356 -3.877 188 HD21 LEU 25 3HD2 LEU 25 4.490 1.236 -4.220 189 HD22 LEU 25 1HD2 LEU 25 5.783 2.245 -4.895 190 HD23 LEU 25 2HD2 LEU 25 4.683 1.431 -5.990 191 H LEU 26 H LEU 26 -0.115 0.994 -4.704 192 HA LEU 26 HA LEU 26 -2.166 2.821 -5.781 193 HB2 LEU 26 1HB LEU 26 -2.336 -0.023 -5.628 194 HB3 LEU 26 2HB LEU 26 -3.431 0.643 -4.421 195 HG LEU 26 HG LEU 26 -4.573 0.311 -6.503 196 HD11 LEU 26 1HD1 LEU 26 -4.257 3.288 -5.934 197 HD12 LEU 26 2HD1 LEU 26 -5.337 2.158 -5.096 198 HD13 LEU 26 3HD1 LEU 26 -5.590 2.503 -6.812 199 HD21 LEU 26 3HD2 LEU 26 -2.743 2.382 -7.812 200 HD22 LEU 26 1HD2 LEU 26 -4.002 1.387 -8.547 201 HD23 LEU 26 2HD2 LEU 26 -2.532 0.622 -7.965 202 HA PRO 27 HA PRO 27 -1.542 4.128 -1.424 203 HB2 PRO 27 1HB PRO 27 -2.011 6.797 -1.929 204 HB3 PRO 27 2HB PRO 27 -0.395 6.049 -2.122 205 HG2 PRO 27 1HG PRO 27 -2.439 6.698 -4.234 206 HG3 PRO 27 2HG PRO 27 -0.665 6.938 -4.279 207 HD2 PRO 27 1HD PRO 27 -1.971 4.810 -5.433 208 HD3 PRO 27 2HD PRO 27 -0.292 4.706 -4.832 209 H LEU 28 H LEU 28 -3.292 4.081 -0.130 210 HA LEU 28 HA LEU 28 -5.999 4.734 -1.241 211 HB2 LEU 28 1HB LEU 28 -5.093 2.321 0.348 212 HB3 LEU 28 2HB LEU 28 -6.779 2.756 0.129 213 HG LEU 28 HG LEU 28 -5.079 2.463 -2.366 214 HD11 LEU 28 1HD1 LEU 28 -4.412 0.541 -1.105 215 HD12 LEU 28 2HD1 LEU 28 -5.513 0.052 -2.417 216 HD13 LEU 28 3HD1 LEU 28 -6.118 0.141 -0.743 217 HD21 LEU 28 3HD2 LEU 28 -7.206 1.598 -3.286 218 HD22 LEU 28 1HD2 LEU 28 -7.382 3.221 -2.612 219 HD23 LEU 28 2HD2 LEU 28 -7.980 1.819 -1.699 220 H ARG 29 H ARG 29 -6.283 6.635 -0.154 221 HA ARG 29 HA ARG 29 -4.933 7.345 2.171 222 HB2 ARG 29 1HB ARG 29 -7.664 8.518 1.538 223 HB3 ARG 29 2HB ARG 29 -6.303 9.256 2.374 224 HG2 ARG 29 1HG ARG 29 -5.049 9.098 0.099 225 HG3 ARG 29 2HG ARG 29 -6.662 8.732 -0.586 226 HD2 ARG 29 1HD ARG 29 -7.493 10.813 0.613 227 HD3 ARG 29 2HD ARG 29 -5.794 11.205 0.933 228 HE ARG 29 HE ARG 29 -5.824 10.827 -1.785 229 HH11 ARG 29 1HH1 ARG 29 -7.388 12.939 0.549 230 HH12 ARG 29 2HH1 ARG 29 -7.518 14.279 -0.546 231 HH21 ARG 29 1HH2 ARG 29 -6.396 12.533 -3.398 232 HH22 ARG 29 2HH2 ARG 29 -6.982 14.021 -2.801 233 H THR 30 H THR 30 -8.232 5.977 1.904 234 HA THR 30 HA THR 30 -8.277 5.435 4.797 235 HB THR 30 HB THR 30 -10.544 6.405 4.977 236 HG1 THR 30 1HG THR 30 -10.106 7.951 2.678 237 HG21 THR 30 3HG2 THR 30 -8.489 7.684 5.672 238 HG22 THR 30 1HG2 THR 30 -9.900 8.675 5.297 239 HG23 THR 30 2HG2 THR 30 -8.573 8.542 4.119 240 H ASN 31 H ASN 31 -10.397 4.150 5.244 241 HA ASN 31 HA ASN 31 -10.720 1.961 3.493 242 HB2 ASN 31 1HB ASN 31 -11.577 1.926 5.809 243 HB3 ASN 31 2HB ASN 31 -12.719 3.205 5.434 244 HD21 ASN 31 1HD2 ASN 31 -12.011 0.513 3.182 245 HD22 ASN 31 2HD2 ASN 31 -13.536 -0.295 3.371 246 H ASP 32 H ASP 32 -12.225 5.232 3.448 247 HA ASP 32 HA ASP 32 -14.353 4.512 1.705 248 HB2 ASP 32 1HB ASP 32 -14.069 6.534 3.301 249 HB3 ASP 32 2HB ASP 32 -13.235 7.298 1.939 250 H ASP 33 H ASP 33 -11.030 4.977 1.042 251 HA ASP 33 HA ASP 33 -11.366 5.576 -1.837 252 HB2 ASP 33 1HB ASP 33 -9.374 6.262 -0.263 253 HB3 ASP 33 2HB ASP 33 -8.853 4.593 -0.404 254 H TRP 34 H TRP 34 -10.524 2.859 0.323 255 HA TRP 34 HA TRP 34 -10.146 0.854 -1.705 256 HB2 TRP 34 1HB TRP 34 -9.272 0.669 0.528 257 HB3 TRP 34 2HB TRP 34 -10.886 0.668 1.243 258 HD1 TRP 34 HD TRP 34 -12.072 -1.655 1.432 259 HE1 TRP 34 1HE TRP 34 -11.474 -4.046 0.801 260 HE3 TRP 34 3HE TRP 34 -8.058 -0.639 -1.521 261 HZ2 TRP 34 2HZ TRP 34 -9.311 -5.384 -0.678 262 HZ3 TRP 34 3HZ TRP 34 -6.696 -2.461 -2.487 263 HH2 TRP 34 HH TRP 34 -7.301 -4.818 -2.066 264 H GLN 35 H GLN 35 -12.975 1.944 0.178 265 HA GLN 35 HA GLN 35 -14.872 -0.005 -0.478 266 HB2 GLN 35 1HB GLN 35 -15.177 3.013 -0.136 267 HB3 GLN 35 2HB GLN 35 -16.546 1.912 -0.259 268 HG2 GLN 35 1HG GLN 35 -14.553 1.136 1.795 269 HG3 GLN 35 2HG GLN 35 -15.326 2.686 2.099 270 HE21 GLN 35 1HE2 GLN 35 -17.578 2.773 2.573 271 HE22 GLN 35 2HE2 GLN 35 -18.426 1.307 3.045 272 H ARG 36 H ARG 36 -13.947 2.920 -2.289 273 HA ARG 36 HA ARG 36 -15.743 2.599 -4.497 274 HB2 ARG 36 1HB ARG 36 -13.151 4.124 -4.021 275 HB3 ARG 36 2HB ARG 36 -13.952 4.187 -5.579 276 HG2 ARG 36 1HG ARG 36 -15.868 5.224 -4.730 277 HG3 ARG 36 2HG ARG 36 -15.605 4.645 -3.108 278 HD2 ARG 36 1HD ARG 36 -15.136 6.974 -3.014 279 HD3 ARG 36 2HD ARG 36 -13.548 6.207 -3.039 280 HE ARG 36 HE ARG 36 -13.081 7.210 -5.030 281 HH11 ARG 36 1HH1 ARG 36 -16.614 7.357 -4.585 282 HH12 ARG 36 2HH1 ARG 36 -16.858 8.532 -5.821 283 HH21 ARG 36 1HH2 ARG 36 -13.434 8.790 -6.703 284 HH22 ARG 36 2HH2 ARG 36 -15.019 9.407 -6.994 285 H PHE 37 H PHE 37 -12.579 1.158 -3.831 286 HA PHE 37 HA PHE 37 -12.139 0.370 -6.582 287 HB2 PHE 37 1HB PHE 37 -10.404 0.837 -4.712 288 HB3 PHE 37 2HB PHE 37 -10.864 -0.680 -3.985 289 HD1 PHE 37 1HD PHE 37 -10.667 -2.804 -5.488 290 HD2 PHE 37 2HD PHE 37 -8.547 0.886 -6.145 291 HE1 PHE 37 1HE PHE 37 -8.959 -4.028 -6.816 292 HE2 PHE 37 2HE PHE 37 -6.838 -0.343 -7.474 293 HZ PHE 37 HZ PHE 37 -7.060 -2.771 -7.831 294 H CYS 38 H CYS 38 -13.000 -1.414 -3.599 295 HA CYS 38 HA CYS 38 -13.674 -3.885 -4.940 296 HB2 CYS 38 1HB CYS 38 -13.123 -3.522 -2.464 297 HB3 CYS 38 2HB CYS 38 -14.733 -2.796 -2.277 298 HG CYS 38 HG CYS 38 -13.810 -5.824 -3.184 299 H ALA 39 H ALA 39 -15.517 -0.898 -4.479 300 HA ALA 39 HA ALA 39 -18.114 -1.960 -5.107 301 HB1 ALA 39 1HB ALA 39 -18.634 0.442 -5.585 302 HB2 ALA 39 2HB ALA 39 -17.872 0.222 -4.003 303 HB3 ALA 39 3HB ALA 39 -16.930 0.859 -5.364 304 H ASP 40 H ASP 40 -15.443 -0.512 -7.035 305 HA ASP 40 HA ASP 40 -17.152 -0.687 -9.430 306 HB2 ASP 40 1HB ASP 40 -16.394 1.485 -8.430 307 HB3 ASP 40 2HB ASP 40 -14.755 1.032 -8.874 308 H SER 41 H SER 41 -16.459 -2.910 -9.505 309 HA SER 41 HA SER 41 -15.640 -4.534 -10.777 310 HB2 SER 41 1HB SER 41 -13.944 -2.449 -12.183 311 HB3 SER 41 2HB SER 41 -14.221 -4.119 -12.704 312 HG SER 41 HG SER 41 -16.354 -2.318 -12.252 313 H LYS 42 H LYS 42 -14.671 -5.887 -9.523 314 HA LYS 42 HA LYS 42 -12.857 -5.532 -7.567 315 HB2 LYS 42 1HB LYS 42 -12.572 -7.966 -7.559 316 HB3 LYS 42 2HB LYS 42 -14.236 -7.491 -7.789 317 HG2 LYS 42 1HG LYS 42 -14.383 -8.561 -9.789 318 HG3 LYS 42 2HG LYS 42 -12.994 -7.717 -10.417 319 HD2 LYS 42 1HD LYS 42 -11.611 -9.439 -8.923 320 HD3 LYS 42 2HD LYS 42 -13.070 -10.417 -9.052 321 HE2 LYS 42 1HE LYS 42 -11.669 -9.188 -11.471 322 HE3 LYS 42 2HE LYS 42 -11.131 -10.708 -10.758 323 HZ1 LYS 42 3HZ LYS 42 -12.587 -11.060 -12.598 324 HZ2 LYS 42 1HZ LYS 42 -13.833 -10.299 -11.856 325 HZ3 LYS 42 2HZ LYS 42 -13.236 -11.691 -11.217 326 H HIS 43 H HIS 43 -11.831 -5.610 -10.866 327 HA HIS 43 HA HIS 43 -9.894 -5.177 -11.802 328 HB2 HIS 43 1HB HIS 43 -9.981 -3.755 -9.397 329 HB3 HIS 43 2HB HIS 43 -8.370 -4.432 -9.402 330 HD1 HIS 43 1HD HIS 43 -9.809 -1.345 -10.195 331 HD2 HIS 43 2HD HIS 43 -7.545 -4.112 -12.481 332 HE1 HIS 43 1HE HIS 43 -8.627 -0.010 -11.957 333 H LEU 44 H LEU 44 -7.233 -5.322 -11.006 334 HA LEU 44 HA LEU 44 -6.760 -8.134 -11.607 335 HB2 LEU 44 1HB LEU 44 -5.188 -5.627 -11.710 336 HB3 LEU 44 2HB LEU 44 -4.305 -7.013 -11.074 337 HG LEU 44 HG LEU 44 -5.789 -7.051 -13.715 338 HD11 LEU 44 1HD1 LEU 44 -2.854 -6.877 -12.981 339 HD12 LEU 44 2HD1 LEU 44 -3.841 -5.571 -13.685 340 HD13 LEU 44 3HD1 LEU 44 -3.504 -7.038 -14.631 341 HD21 LEU 44 3HD2 LEU 44 -4.278 -9.169 -13.921 342 HD22 LEU 44 1HD2 LEU 44 -5.723 -9.301 -12.936 343 HD23 LEU 44 2HD2 LEU 44 -4.127 -9.089 -12.153 344 H LEU 45 H LEU 45 -6.438 -9.618 -10.021 345 HA LEU 45 HA LEU 45 -5.290 -8.794 -7.505 346 HB2 LEU 45 1HB LEU 45 -7.917 -10.354 -7.630 347 HB3 LEU 45 2HB LEU 45 -6.923 -10.173 -6.193 348 HG LEU 45 HG LEU 45 -8.229 -7.836 -7.652 349 HD11 LEU 45 1HD1 LEU 45 -9.089 -9.325 -5.126 350 HD12 LEU 45 2HD1 LEU 45 -9.913 -9.359 -6.705 351 HD13 LEU 45 3HD1 LEU 45 -9.849 -7.866 -5.775 352 HD21 LEU 45 3HD2 LEU 45 -6.177 -7.265 -6.240 353 HD22 LEU 45 1HD2 LEU 45 -7.059 -7.918 -4.827 354 HD23 LEU 45 2HD2 LEU 45 -7.664 -6.507 -5.727 355 H GLN 46 H GLN 46 -4.110 -10.467 -6.655 356 HA GLN 46 HA GLN 46 -3.935 -13.060 -7.933 357 HB2 GLN 46 1HB GLN 46 -1.611 -12.743 -8.721 358 HB3 GLN 46 2HB GLN 46 -2.754 -11.741 -9.624 359 HG2 GLN 46 1HG GLN 46 -2.176 -9.845 -8.069 360 HG3 GLN 46 2HG GLN 46 -0.892 -10.838 -7.412 361 HE21 GLN 46 1HE2 GLN 46 -0.643 -8.286 -8.650 362 HE22 GLN 46 2HE2 GLN 46 0.468 -8.479 -9.999 363 H TYR 47 H TYR 47 -3.157 -14.393 -6.420 364 HA TYR 47 HA TYR 47 -2.816 -13.521 -3.659 365 HB2 TYR 47 1HB TYR 47 -1.774 -16.084 -4.982 366 HB3 TYR 47 2HB TYR 47 -2.081 -15.828 -3.275 367 HD1 TYR 47 2HD TYR 47 -4.702 -14.733 -2.985 368 HD2 TYR 47 1HD TYR 47 -3.313 -17.579 -5.945 369 HE1 TYR 47 2HE TYR 47 -6.986 -15.573 -3.276 370 HE2 TYR 47 1HE TYR 47 -5.613 -18.367 -6.284 371 HH TYR 47 HH TYR 47 -7.912 -18.028 -5.765 372 H GLY 48 H GLY 48 -0.914 -12.996 -2.681 373 HA2 GLY 48 1HA GLY 48 1.323 -12.612 -2.446 374 HA3 GLY 48 2HA GLY 48 1.661 -12.980 -4.132 375 H ASP 49 H ASP 49 -0.857 -10.687 -4.219 376 HA ASP 49 HA ASP 49 0.551 -8.726 -5.372 377 HB2 ASP 49 1HB ASP 49 -2.152 -9.164 -4.399 378 HB3 ASP 49 2HB ASP 49 -1.728 -7.524 -4.072 379 H LYS 50 H LYS 50 0.418 -9.175 -2.055 380 HA LYS 50 HA LYS 50 1.280 -8.287 -0.218 381 HB2 LYS 50 1HB LYS 50 3.273 -7.868 -1.961 382 HB3 LYS 50 2HB LYS 50 2.868 -6.214 -1.609 383 HG2 LYS 50 1HG LYS 50 3.077 -6.759 0.879 384 HG3 LYS 50 2HG LYS 50 3.751 -8.318 0.405 385 HD2 LYS 50 1HD LYS 50 4.899 -5.644 -0.537 386 HD3 LYS 50 2HD LYS 50 5.334 -6.402 0.972 387 HE2 LYS 50 1HE LYS 50 5.888 -8.518 -0.520 388 HE3 LYS 50 2HE LYS 50 6.004 -7.289 -1.802 389 HZ1 LYS 50 3HZ LYS 50 7.555 -7.414 0.724 390 HZ2 LYS 50 1HZ LYS 50 7.470 -6.065 -0.160 391 HZ3 LYS 50 2HZ LYS 50 8.151 -7.362 -0.839 392 H LEU 51 H LEU 51 0.760 -6.800 1.322 393 HA LEU 51 HA LEU 51 -0.321 -4.147 0.491 394 HB2 LEU 51 1HB LEU 51 -2.005 -6.155 1.235 395 HB3 LEU 51 2HB LEU 51 -1.526 -5.553 2.820 396 HG LEU 51 HG LEU 51 -2.344 -3.310 2.254 397 HD11 LEU 51 1HD1 LEU 51 -2.996 -4.620 -0.431 398 HD12 LEU 51 2HD1 LEU 51 -2.076 -3.132 -0.129 399 HD13 LEU 51 3HD1 LEU 51 -3.800 -3.139 0.140 400 HD21 LEU 51 3HD2 LEU 51 -4.299 -5.591 1.673 401 HD22 LEU 51 1HD2 LEU 51 -4.714 -3.953 2.254 402 HD23 LEU 51 2HD2 LEU 51 -3.777 -5.066 3.264 403 H VAL 52 H VAL 52 0.068 -2.553 2.006 404 HA VAL 52 HA VAL 52 1.687 -3.174 4.387 405 HB VAL 52 HB VAL 52 2.214 -1.137 2.166 406 HG11 VAL 52 1HG1 VAL 52 2.315 0.160 4.184 407 HG12 VAL 52 2HG1 VAL 52 3.175 -1.132 5.039 408 HG13 VAL 52 3HG1 VAL 52 3.981 -0.219 3.735 409 HG21 VAL 52 3HG2 VAL 52 4.523 -2.066 2.297 410 HG22 VAL 52 1HG2 VAL 52 3.977 -3.211 3.541 411 HG23 VAL 52 2HG2 VAL 52 3.341 -3.311 1.885 412 H ASP 53 H ASP 53 0.634 -2.228 6.144 413 HA ASP 53 HA ASP 53 -1.435 -0.196 5.582 414 HB2 ASP 53 1HB ASP 53 -2.414 -0.755 7.544 415 HB3 ASP 53 2HB ASP 53 -1.961 -2.333 6.950 416 H SER 54 H SER 54 -1.535 1.353 7.508 417 HA SER 54 HA SER 54 0.645 3.054 7.434 418 HB2 SER 54 1HB SER 54 -1.808 3.474 7.918 419 HB3 SER 54 2HB SER 54 -1.519 2.887 9.558 420 HG SER 54 HG SER 54 -0.524 5.197 8.257 421 H ASN 55 H ASN 55 0.427 0.166 9.438 422 HA ASN 55 HA ASN 55 1.999 1.308 11.670 423 HB2 ASN 55 1HB ASN 55 0.921 -1.484 11.124 424 HB3 ASN 55 2HB ASN 55 1.931 -1.085 12.495 425 HD21 ASN 55 1HD2 ASN 55 -1.315 -1.014 11.296 426 HD22 ASN 55 2HD2 ASN 55 -1.987 -0.280 12.749 427 H PHE 56 H PHE 56 2.607 -0.223 8.654 428 HA PHE 56 HA PHE 56 4.421 -1.202 7.718 429 HB2 PHE 56 1HB PHE 56 6.070 -0.779 10.237 430 HB3 PHE 56 2HB PHE 56 6.569 -1.653 8.854 431 HD1 PHE 56 1HD PHE 56 4.967 1.739 9.344 432 HD2 PHE 56 2HD PHE 56 8.146 -0.637 7.565 433 HE1 PHE 56 1HE PHE 56 5.844 3.731 8.266 434 HE2 PHE 56 2HE PHE 56 9.050 1.403 6.546 435 HZ PHE 56 HZ PHE 56 7.896 3.627 6.889 436 H HIS 57 H HIS 57 2.172 -2.489 8.849 437 HA HIS 57 HA HIS 57 3.417 -5.113 9.485 438 HB2 HIS 57 1HB HIS 57 0.516 -4.275 9.374 439 HB3 HIS 57 2HB HIS 57 1.117 -5.909 9.678 440 HD1 HIS 57 1HD HIS 57 -0.461 -3.583 11.678 441 HD2 HIS 57 2HD HIS 57 3.346 -5.382 11.890 442 HE1 HIS 57 1HE HIS 57 0.278 -3.426 14.117 443 H CYS 58 H CYS 58 3.753 -6.435 7.728 444 HA CYS 58 HA CYS 58 2.914 -5.447 5.071 445 HB2 CYS 58 1HB CYS 58 5.362 -6.428 5.897 446 HB3 CYS 58 2HB CYS 58 4.578 -7.918 5.397 447 HG CYS 58 HG CYS 58 6.052 -7.026 3.462 448 H PHE 59 H PHE 59 1.879 -7.055 3.670 449 HA PHE 59 HA PHE 59 0.773 -9.456 5.001 450 HB2 PHE 59 1HB PHE 59 -0.943 -7.515 3.434 451 HB3 PHE 59 2HB PHE 59 -1.462 -8.990 4.225 452 HD1 PHE 59 1HD PHE 59 -0.452 -5.457 4.765 453 HD2 PHE 59 2HD PHE 59 -1.708 -9.130 6.659 454 HE1 PHE 59 1HE PHE 59 -0.707 -4.263 6.897 455 HE2 PHE 59 2HE PHE 59 -1.870 -7.943 8.818 456 HZ PHE 59 HZ PHE 59 -1.352 -5.487 8.929 457 H VAL 60 H VAL 60 -0.155 -10.963 3.463 458 HA VAL 60 HA VAL 60 0.523 -10.718 0.618 459 HB VAL 60 HB VAL 60 1.471 -12.823 2.592 460 HG11 VAL 60 1HG1 VAL 60 0.469 -14.116 0.785 461 HG12 VAL 60 2HG1 VAL 60 1.323 -13.144 -0.428 462 HG13 VAL 60 3HG1 VAL 60 2.220 -14.211 0.691 463 HG21 VAL 60 3HG2 VAL 60 2.886 -11.344 0.319 464 HG22 VAL 60 1HG2 VAL 60 3.009 -10.902 2.022 465 HG23 VAL 60 2HG2 VAL 60 3.648 -12.454 1.482 466 H LEU 61 H LEU 61 -1.133 -11.447 -0.574 467 HA LEU 61 HA LEU 61 -3.613 -12.468 0.605 468 HB2 LEU 61 1HB LEU 61 -3.435 -10.832 -1.413 469 HB3 LEU 61 2HB LEU 61 -2.771 -12.115 -2.310 470 HG LEU 61 HG LEU 61 -5.450 -11.510 -1.616 471 HD11 LEU 61 1HD1 LEU 61 -4.347 -12.108 -4.004 472 HD12 LEU 61 2HD1 LEU 61 -5.815 -11.280 -3.594 473 HD13 LEU 61 3HD1 LEU 61 -5.864 -13.030 -3.755 474 HD21 LEU 61 3HD2 LEU 61 -6.781 -13.298 -1.478 475 HD22 LEU 61 1HD2 LEU 61 -5.848 -12.901 -0.052 476 HD23 LEU 61 2HD2 LEU 61 -5.347 -14.235 -1.087 477 H GLU 62 H GLU 62 -4.026 -14.661 0.691 478 HA GLU 62 HA GLU 62 -2.283 -16.564 -0.837 479 HB2 GLU 62 1HB GLU 62 -3.288 -16.856 2.027 480 HB3 GLU 62 2HB GLU 62 -2.406 -18.047 1.125 481 HG2 GLU 62 1HG GLU 62 -0.681 -16.020 0.815 482 HG3 GLU 62 2HG GLU 62 -1.524 -15.400 2.262 483 H GLU 63 H GLU 63 -3.475 -18.770 -1.134 484 HA GLU 63 HA GLU 63 -5.613 -18.240 -2.748 485 HB2 GLU 63 1HB GLU 63 -4.768 -20.805 -1.403 486 HB3 GLU 63 2HB GLU 63 -6.071 -20.770 -2.602 487 HG2 GLU 63 1HG GLU 63 -4.660 -20.083 -4.359 488 HG3 GLU 63 2HG GLU 63 -3.368 -19.560 -3.268 489 H ASP 64 H ASP 64 -5.852 -18.856 0.635 490 HA ASP 64 HA ASP 64 -8.685 -19.485 0.819 491 HB2 ASP 64 1HB ASP 64 -6.926 -20.512 2.195 492 HB3 ASP 64 2HB ASP 64 -6.496 -18.966 2.856 493 H ALA 65 H ALA 65 -7.290 -16.570 -0.110 494 HA ALA 65 HA ALA 65 -8.355 -14.704 -0.554 495 HB1 ALA 65 1HB ALA 65 -10.539 -16.194 -0.515 496 HB2 ALA 65 2HB ALA 65 -10.795 -15.508 1.071 497 HB3 ALA 65 3HB ALA 65 -10.711 -14.421 -0.324 498 H HIS 66 H HIS 66 -7.105 -15.492 2.280 499 HA HIS 66 HA HIS 66 -7.796 -12.878 3.487 500 HB2 HIS 66 1HB HIS 66 -6.878 -13.673 5.574 501 HB3 HIS 66 2HB HIS 66 -8.171 -14.716 5.012 502 HD1 HIS 66 1HD HIS 66 -7.587 -17.222 5.397 503 HD2 HIS 66 2HD HIS 66 -4.302 -14.831 4.269 504 HE1 HIS 66 1HE HIS 66 -5.566 -18.741 5.376 505 H TRP 67 H TRP 67 -6.218 -11.658 4.437 506 HA TRP 67 HA TRP 67 -3.653 -11.544 2.979 507 HB2 TRP 67 1HB TRP 67 -5.359 -9.515 4.468 508 HB3 TRP 67 2HB TRP 67 -3.659 -9.241 4.135 509 HD1 TRP 67 HD TRP 67 -7.024 -9.260 2.385 510 HE1 TRP 67 1HE TRP 67 -6.750 -8.483 -0.047 511 HE3 TRP 67 3HE TRP 67 -1.975 -9.300 2.135 512 HZ2 TRP 67 2HZ TRP 67 -4.564 -8.037 -1.903 513 HZ3 TRP 67 3HZ TRP 67 -0.786 -8.669 0.104 514 HH2 TRP 67 HH TRP 67 -2.070 -7.977 -1.956 515 H HIS 68 H HIS 68 -2.364 -12.988 4.108 516 HA HIS 68 HA HIS 68 -2.615 -13.325 7.019 517 HB2 HIS 68 1HB HIS 68 -1.988 -15.246 5.678 518 HB3 HIS 68 2HB HIS 68 -0.685 -14.346 4.910 519 HD1 HIS 68 1HD HIS 68 1.615 -14.619 5.952 520 HD2 HIS 68 2HD HIS 68 -1.547 -15.858 8.417 521 HE1 HIS 68 1HE HIS 68 2.694 -15.520 8.080 522 HA PRO 69 HA PRO 69 0.234 -9.872 7.743 523 HB2 PRO 69 1HB PRO 69 1.132 -10.444 10.274 524 HB3 PRO 69 2HB PRO 69 -0.487 -9.767 9.919 525 HG2 PRO 69 1HG PRO 69 0.262 -12.663 10.384 526 HG3 PRO 69 2HG PRO 69 -1.099 -11.744 11.106 527 HD2 PRO 69 1HD PRO 69 -1.479 -13.362 8.972 528 HD3 PRO 69 2HD PRO 69 -2.327 -11.797 9.080 529 H ALA 70 H ALA 70 1.944 -9.957 6.502 530 HA ALA 70 HA ALA 70 3.665 -12.325 6.267 531 HB1 ALA 70 1HB ALA 70 4.553 -11.098 4.320 532 HB2 ALA 70 2HB ALA 70 2.783 -11.190 4.276 533 HB3 ALA 70 3HB ALA 70 3.601 -9.676 4.753 534 H ALA 71 H ALA 71 3.903 -11.253 8.776 535 HA ALA 71 HA ALA 71 5.214 -10.340 10.347 536 HB1 ALA 71 1HB ALA 71 7.679 -9.958 8.770 537 HB2 ALA 71 2HB ALA 71 7.409 -10.887 10.256 538 HB3 ALA 71 3HB ALA 71 7.040 -11.609 8.694 539 HA PRO 72 HA PRO 72 5.311 -5.940 9.758 540 HB2 PRO 72 1HB PRO 72 7.392 -5.042 11.281 541 HB3 PRO 72 2HB PRO 72 5.820 -5.601 11.949 542 HG2 PRO 72 1HG PRO 72 8.405 -7.157 11.723 543 HG3 PRO 72 2HG PRO 72 7.286 -7.040 13.125 544 HD2 PRO 72 1HD PRO 72 7.231 -9.124 11.410 545 HD3 PRO 72 2HD PRO 72 5.731 -8.486 12.140 546 H LEU 73 H LEU 73 6.973 -4.110 9.222 547 HA LEU 73 HA LEU 73 8.908 -5.045 7.145 548 HB2 LEU 73 1HB LEU 73 6.607 -4.267 6.404 549 HB3 LEU 73 2HB LEU 73 7.014 -2.689 7.003 550 HG LEU 73 HG LEU 73 9.008 -3.901 5.116 551 HD11 LEU 73 1HD1 LEU 73 6.972 -4.524 3.931 552 HD12 LEU 73 2HD1 LEU 73 7.652 -3.069 3.156 553 HD13 LEU 73 3HD1 LEU 73 6.250 -2.934 4.234 554 HD21 LEU 73 3HD2 LEU 73 9.108 -1.779 4.245 555 HD22 LEU 73 1HD2 LEU 73 9.517 -1.952 5.961 556 HD23 LEU 73 2HD2 LEU 73 8.003 -1.143 5.439 557 HA PRO 74 HA PRO 74 11.463 -2.554 9.768 558 HB2 PRO 74 1HB PRO 74 13.766 -2.304 8.285 559 HB3 PRO 74 2HB PRO 74 13.221 -3.846 9.008 560 HG2 PRO 74 1HG PRO 74 12.875 -2.883 6.168 561 HG3 PRO 74 2HG PRO 74 13.397 -4.491 6.733 562 HD2 PRO 74 1HD PRO 74 10.853 -3.921 5.971 563 HD3 PRO 74 2HD PRO 74 11.195 -5.125 7.231 564 HA PRO 75 HA PRO 75 10.935 1.679 8.623 565 HB2 PRO 75 1HB PRO 75 13.128 3.040 9.611 566 HB3 PRO 75 2HB PRO 75 11.882 2.302 10.659 567 HG2 PRO 75 1HG PRO 75 14.526 1.080 9.833 568 HG3 PRO 75 2HG PRO 75 13.870 1.257 11.497 569 HD2 PRO 75 1HD PRO 75 13.593 -1.049 10.137 570 HD3 PRO 75 2HD PRO 75 12.228 -0.417 11.102 571 H GLU 76 H GLU 76 13.734 0.042 7.402 572 HA GLU 76 HA GLU 76 14.185 2.070 5.316 573 HB2 GLU 76 1HB GLU 76 15.910 0.473 4.529 574 HB3 GLU 76 2HB GLU 76 16.163 1.044 6.178 575 HG2 GLU 76 1HG GLU 76 15.699 -1.023 7.132 576 HG3 GLU 76 2HG GLU 76 14.719 -1.550 5.770 577 H GLY 77 H GLY 77 12.306 -0.948 5.712 578 HA2 GLY 77 1HA GLY 77 12.530 -2.125 3.214 579 HA3 GLY 77 2HA GLY 77 11.209 -2.274 4.304 580 H LEU 78 H LEU 78 10.385 0.414 4.334 581 HA LEU 78 HA LEU 78 8.426 0.491 2.295 582 HB2 LEU 78 1HB LEU 78 8.004 1.636 4.309 583 HB3 LEU 78 2HB LEU 78 9.561 2.454 4.304 584 HG LEU 78 HG LEU 78 8.811 3.881 2.401 585 HD11 LEU 78 1HD1 LEU 78 7.057 2.470 1.386 586 HD12 LEU 78 2HD1 LEU 78 6.369 4.017 1.906 587 HD13 LEU 78 3HD1 LEU 78 6.088 2.570 2.888 588 HD21 LEU 78 3HD2 LEU 78 8.639 4.551 4.790 589 HD22 LEU 78 1HD2 LEU 78 6.968 3.935 4.818 590 HD23 LEU 78 2HD2 LEU 78 7.399 5.305 3.784 591 H ASN 79 H ASN 79 11.559 2.172 2.629 592 HA ASN 79 HA ASN 79 11.228 3.866 0.379 593 HB2 ASN 79 1HB ASN 79 13.364 3.241 2.321 594 HB3 ASN 79 2HB ASN 79 13.992 3.560 0.714 595 HD21 ASN 79 1HD2 ASN 79 12.569 5.028 3.534 596 HD22 ASN 79 2HD2 ASN 79 12.589 6.647 2.915 597 H ASP 80 H ASP 80 12.276 0.491 0.532 598 HA ASP 80 HA ASP 80 13.634 0.445 -2.008 599 HB2 ASP 80 1HB ASP 80 13.517 -1.237 0.057 600 HB3 ASP 80 2HB ASP 80 12.204 -1.941 -0.835 601 H LEU 81 H LEU 81 10.405 -0.197 -0.912 602 HA LEU 81 HA LEU 81 9.219 -0.994 -3.459 603 HB2 LEU 81 1HB LEU 81 8.170 -0.160 -0.768 604 HB3 LEU 81 2HB LEU 81 7.100 0.121 -2.138 605 HG LEU 81 HG LEU 81 7.168 -2.176 -2.801 606 HD11 LEU 81 1HD1 LEU 81 9.050 -2.664 -0.448 607 HD12 LEU 81 2HD1 LEU 81 9.453 -2.862 -2.169 608 HD13 LEU 81 3HD1 LEU 81 8.273 -3.930 -1.428 609 HD21 LEU 81 3HD2 LEU 81 6.680 -1.853 0.193 610 HD22 LEU 81 1HD2 LEU 81 6.026 -3.170 -0.821 611 HD23 LEU 81 2HD2 LEU 81 5.519 -1.505 -1.103 612 H ILE 82 H ILE 82 9.265 2.081 -1.738 613 HA ILE 82 HA ILE 82 8.120 3.793 -3.669 614 HB ILE 82 HB ILE 82 10.347 4.290 -1.672 615 HG12 ILE 82 1HG1 ILE 82 8.162 3.436 -0.732 616 HG13 ILE 82 2HG1 ILE 82 8.761 4.938 -0.097 617 HG21 ILE 82 1HG2 ILE 82 9.695 6.690 -1.680 618 HG22 ILE 82 2HG2 ILE 82 10.461 6.150 -3.184 619 HG23 ILE 82 3HG2 ILE 82 8.710 6.391 -3.111 620 HD11 ILE 82 3HD1 ILE 82 6.313 4.927 -0.408 621 HD12 ILE 82 1HD1 ILE 82 7.053 6.172 -1.433 622 HD13 ILE 82 2HD1 ILE 82 6.535 4.621 -2.137 623 H ARG 83 H ARG 83 11.628 2.705 -3.414 624 HA ARG 83 HA ARG 83 12.742 4.013 -5.460 625 HB2 ARG 83 1HB ARG 83 13.406 2.088 -3.594 626 HB3 ARG 83 2HB ARG 83 13.361 1.113 -5.052 627 HG2 ARG 83 1HG ARG 83 14.833 2.815 -6.073 628 HG3 ARG 83 2HG ARG 83 14.997 3.602 -4.501 629 HD2 ARG 83 1HD ARG 83 16.149 1.795 -3.525 630 HD3 ARG 83 2HD ARG 83 15.582 0.660 -4.752 631 HE ARG 83 HE ARG 83 17.552 2.835 -5.350 632 HH11 ARG 83 1HH1 ARG 83 16.973 -0.608 -5.279 633 HH12 ARG 83 2HH1 ARG 83 17.899 -1.012 -6.677 634 HH21 ARG 83 1HH2 ARG 83 19.077 2.335 -6.955 635 HH22 ARG 83 2HH2 ARG 83 19.038 0.778 -7.762 636 H ALA 84 H ALA 84 10.227 1.601 -5.878 637 HA ALA 84 HA ALA 84 11.032 1.074 -8.686 638 HB1 ALA 84 1HB ALA 84 8.541 -0.007 -7.359 639 HB2 ALA 84 2HB ALA 84 9.553 -0.728 -8.637 640 HB3 ALA 84 3HB ALA 84 10.127 -0.706 -6.980 641 H HIS 85 H HIS 85 8.214 2.445 -6.937 642 HA HIS 85 HA HIS 85 6.874 3.432 -9.235 643 HB2 HIS 85 1HB HIS 85 5.709 3.348 -7.225 644 HB3 HIS 85 2HB HIS 85 6.965 4.191 -6.308 645 HD1 HIS 85 1HD HIS 85 3.689 5.002 -8.083 646 HD2 HIS 85 2HD HIS 85 7.171 6.870 -6.609 647 HE1 HIS 85 1HE HIS 85 3.176 7.383 -7.947 648 H CYS 86 H CYS 86 9.309 4.960 -7.112 649 HA CYS 86 HA CYS 86 9.297 7.467 -8.518 650 HB2 CYS 86 1HB CYS 86 11.333 6.139 -6.729 651 HB3 CYS 86 2HB CYS 86 11.441 7.836 -7.264 652 HG CYS 86 HG CYS 86 10.492 8.159 -4.979 653 H ALA 87 H ALA 87 11.246 4.466 -8.910 654 HA ALA 87 HA ALA 87 13.031 5.579 -10.827 655 HB1 ALA 87 1HB ALA 87 13.640 3.494 -9.793 656 HB2 ALA 87 2HB ALA 87 12.109 2.728 -10.284 657 HB3 ALA 87 3HB ALA 87 13.319 3.139 -11.506 658 H THR 88 H THR 88 9.884 3.930 -11.156 659 HA THR 88 HA THR 88 10.176 3.817 -14.034 660 HB THR 88 HB THR 88 8.815 2.285 -12.582 661 HG1 THR 88 1HG THR 88 7.614 3.227 -14.971 662 HG21 THR 88 3HG2 THR 88 7.451 3.779 -11.354 663 HG22 THR 88 1HG2 THR 88 6.399 2.758 -12.338 664 HG23 THR 88 2HG2 THR 88 6.695 4.445 -12.817 665 H LEU 89 H LEU 89 8.784 6.255 -11.826 666 HA LEU 89 HA LEU 89 7.750 7.889 -14.019 667 HB2 LEU 89 1HB LEU 89 8.256 8.479 -11.077 668 HB3 LEU 89 2HB LEU 89 7.467 9.591 -12.205 669 HG LEU 89 HG LEU 89 6.412 6.801 -11.556 670 HD11 LEU 89 1HD1 LEU 89 4.797 7.917 -10.143 671 HD12 LEU 89 2HD1 LEU 89 5.540 9.511 -10.479 672 HD13 LEU 89 3HD1 LEU 89 6.438 8.260 -9.588 673 HD21 LEU 89 3HD2 LEU 89 5.583 7.598 -13.713 674 HD22 LEU 89 1HD2 LEU 89 5.135 9.164 -12.998 675 HD23 LEU 89 2HD2 LEU 89 4.303 7.670 -12.504 676 H GLY 90 H GLY 90 10.490 8.247 -11.721 677 HA2 GLY 90 1HA GLY 90 12.679 8.863 -12.761 678 HA3 GLY 90 2HA GLY 90 11.819 10.156 -13.596 679 H HIS 91 H HIS 91 11.508 9.106 -10.119 680 HA HIS 91 HA HIS 91 12.299 11.873 -9.316 681 HB2 HIS 91 1HB HIS 91 9.995 10.148 -8.340 682 HB3 HIS 91 2HB HIS 91 10.614 11.530 -7.448 683 HD1 HIS 91 1HD HIS 91 9.811 13.928 -8.217 684 HD2 HIS 91 2HD HIS 91 8.988 10.782 -10.912 685 HE1 HIS 91 1HE HIS 91 8.297 14.880 -10.029 686 H CYS 92 H CYS 92 12.911 11.917 -6.887 687 HA CYS 92 HA CYS 92 14.056 9.423 -5.872 688 HB2 CYS 92 1HB CYS 92 15.712 10.580 -7.510 689 HB3 CYS 92 2HB CYS 92 15.809 11.863 -6.299 690 HG CYS 92 HG CYS 92 17.928 10.440 -6.070 691 H CYS 93 H CYS 93 15.180 9.913 -3.801 692 HA CYS 93 HA CYS 93 13.462 10.954 -1.808 693 HB2 CYS 93 1HB CYS 93 16.448 10.295 -1.892 694 HB3 CYS 93 2HB CYS 93 15.598 10.691 -0.409 695 HG CYS 93 HG CYS 93 14.704 8.285 -2.534 696 H THR 94 H THR 94 13.656 12.671 -0.445 697 HA THR 94 HA THR 94 15.038 15.086 -1.457 698 HB THR 94 HB THR 94 12.826 15.486 -1.801 699 HG1 THR 94 1HG THR 94 13.369 17.123 -0.486 700 HG21 THR 94 3HG2 THR 94 11.739 13.482 -1.000 701 HG22 THR 94 1HG2 THR 94 10.929 14.880 -0.312 702 HG23 THR 94 2HG2 THR 94 12.036 13.934 0.699 703 H SER 95 H SER 95 13.521 14.556 1.766 704 HA SER 95 HA SER 95 16.128 14.503 3.133 705 HB2 SER 95 1HB SER 95 14.096 16.723 3.163 706 HB3 SER 95 2HB SER 95 14.742 16.231 4.727 707 HG SER 95 HG SER 95 16.200 17.602 4.159 708 H LYS 96 H LYS 96 15.288 14.481 5.679 709 HA LYS 96 HA LYS 96 14.551 13.086 7.261 710 HB2 LYS 96 1HB LYS 96 12.927 14.813 6.995 711 HB3 LYS 96 2HB LYS 96 11.981 13.798 5.898 712 HG2 LYS 96 1HG LYS 96 11.280 13.979 8.341 713 HG3 LYS 96 2HG LYS 96 11.294 12.371 7.629 714 HD2 LYS 96 1HD LYS 96 13.515 11.990 8.759 715 HD3 LYS 96 2HD LYS 96 13.324 13.572 9.553 716 HE2 LYS 96 1HE LYS 96 11.320 12.757 10.691 717 HE3 LYS 96 2HE LYS 96 11.307 11.290 9.706 718 HZ1 LYS 96 3HZ LYS 96 13.481 10.729 10.706 719 HZ2 LYS 96 1HZ LYS 96 12.313 10.812 11.860 720 HZ3 LYS 96 2HZ LYS 96 13.399 12.030 11.681 721 H MET 97 H MET 97 15.760 11.381 5.662 722 HA MET 97 HA MET 97 15.903 9.241 4.968 723 HB2 MET 97 1HB MET 97 15.462 8.935 7.353 724 HB3 MET 97 2HB MET 97 13.722 8.835 7.054 725 HG2 MET 97 1HG MET 97 14.888 6.674 7.476 726 HG3 MET 97 2HG MET 97 13.934 6.698 6.017 727 HE1 MET 97 3HE MET 97 15.090 6.834 3.460 728 HE2 MET 97 1HE MET 97 16.276 5.524 3.366 729 HE3 MET 97 2HE MET 97 14.753 5.260 4.233 730 H HIS 98 H HIS 98 14.359 10.948 3.375 731 HA HIS 98 HA HIS 98 12.967 11.032 1.574 732 HB2 HIS 98 1HB HIS 98 13.514 8.746 1.043 733 HB3 HIS 98 2HB HIS 98 12.054 8.254 1.891 734 HD1 HIS 98 1HD HIS 98 10.556 11.219 0.819 735 HD2 HIS 98 2HD HIS 98 12.200 7.887 -0.992 736 HE1 HIS 98 1HE HIS 98 9.452 11.108 -1.442 737 H LEU 99 H LEU 99 11.616 8.902 4.119 738 HA LEU 99 HA LEU 99 9.037 10.387 4.027 739 HB2 LEU 99 1HB LEU 99 9.538 7.370 3.813 740 HB3 LEU 99 2HB LEU 99 7.956 8.121 3.974 741 HG LEU 99 HG LEU 99 9.850 8.447 1.588 742 HD11 LEU 99 1HD1 LEU 99 7.309 6.847 1.901 743 HD12 LEU 99 2HD1 LEU 99 8.965 6.233 1.749 744 HD13 LEU 99 3HD1 LEU 99 8.212 7.122 0.403 745 HD21 LEU 99 3HD2 LEU 99 8.487 10.463 1.800 746 HD22 LEU 99 1HD2 LEU 99 7.025 9.513 2.072 747 HD23 LEU 99 2HD2 LEU 99 7.835 9.491 0.489 748 H HIS 100 H HIS 100 8.402 10.894 6.057 749 HA HIS 100 HA HIS 100 9.573 9.463 8.318 750 HB2 HIS 100 1HB HIS 100 9.341 11.897 8.529 751 HB3 HIS 100 2HB HIS 100 7.608 11.744 8.449 752 HD1 HIS 100 1HD HIS 100 6.735 12.132 10.902 753 HD2 HIS 100 2HD HIS 100 10.098 9.595 10.605 754 HE1 HIS 100 1HE HIS 100 7.273 11.359 13.260 755 H SER 101 H SER 101 6.572 9.285 6.498 756 HA SER 101 HA SER 101 5.989 6.862 7.982 757 HB2 SER 101 1HB SER 101 3.730 7.586 8.761 758 HB3 SER 101 2HB SER 101 5.016 8.513 9.525 759 HG SER 101 HG SER 101 3.846 10.097 8.908 760 H VAL 102 H VAL 102 3.882 5.893 7.242 761 HA VAL 102 HA VAL 102 3.592 5.860 4.390 762 HB VAL 102 HB VAL 102 1.591 5.070 6.557 763 HG11 VAL 102 1HG1 VAL 102 1.815 4.215 3.634 764 HG12 VAL 102 2HG1 VAL 102 0.589 3.662 4.808 765 HG13 VAL 102 3HG1 VAL 102 0.619 5.348 4.270 766 HG21 VAL 102 3HG2 VAL 102 3.678 3.799 6.860 767 HG22 VAL 102 1HG2 VAL 102 2.470 2.745 6.122 768 HG23 VAL 102 2HG2 VAL 102 3.739 3.483 5.107 769 H MET 103 H MET 103 1.968 7.766 7.018 770 HA MET 103 HA MET 103 -0.090 8.883 5.409 771 HB2 MET 103 1HB MET 103 -0.163 9.003 7.826 772 HB3 MET 103 2HB MET 103 1.333 9.926 7.899 773 HG2 MET 103 1HG MET 103 0.317 11.862 7.554 774 HG3 MET 103 2HG MET 103 -0.589 11.291 6.175 775 HE1 MET 103 3HE MET 103 -3.101 10.514 6.172 776 HE2 MET 103 1HE MET 103 -2.414 9.105 7.004 777 HE3 MET 103 2HE MET 103 -3.868 9.884 7.632 778 H ASP 104 H ASP 104 3.198 10.056 6.177 779 HA ASP 104 HA ASP 104 2.862 12.437 4.543 780 HB2 ASP 104 1HB ASP 104 5.216 11.303 6.079 781 HB3 ASP 104 2HB ASP 104 5.547 12.171 4.597 782 H ALA 105 H ALA 105 3.827 9.142 3.797 783 HA ALA 105 HA ALA 105 5.022 9.667 1.210 784 HB1 ALA 105 1HB ALA 105 5.373 7.593 2.639 785 HB2 ALA 105 2HB ALA 105 3.746 7.069 2.170 786 HB3 ALA 105 3HB ALA 105 4.988 7.289 0.928 787 H ILE 106 H ILE 106 1.694 8.744 2.233 788 HA ILE 106 HA ILE 106 0.540 8.519 -0.386 789 HB ILE 106 HB ILE 106 -0.642 9.528 2.194 790 HG12 ILE 106 1HG1 ILE 106 0.128 7.201 2.396 791 HG13 ILE 106 2HG1 ILE 106 -1.599 7.398 2.545 792 HG21 ILE 106 1HG2 ILE 106 -2.871 8.947 1.222 793 HG22 ILE 106 2HG2 ILE 106 -2.086 10.310 0.431 794 HG23 ILE 106 3HG2 ILE 106 -2.082 8.724 -0.362 795 HD11 ILE 106 3HD1 ILE 106 -0.170 6.369 0.086 796 HD12 ILE 106 1HD1 ILE 106 -0.948 5.366 1.316 797 HD13 ILE 106 2HD1 ILE 106 -1.949 6.452 0.338 798 H ASP 107 H ASP 107 1.278 11.298 1.746 799 HA ASP 107 HA ASP 107 0.032 13.233 0.050 800 HB2 ASP 107 1HB ASP 107 0.838 13.253 2.605 801 HB3 ASP 107 2HB ASP 107 2.231 14.047 1.886 802 H PHE 108 H PHE 108 3.404 12.168 0.405 803 HA PHE 108 HA PHE 108 4.610 13.889 -1.499 804 HB2 PHE 108 1HB PHE 108 5.901 12.491 0.043 805 HB3 PHE 108 2HB PHE 108 5.329 11.030 -0.743 806 HD1 PHE 108 2HD PHE 108 7.409 14.083 -1.223 807 HD2 PHE 108 1HD PHE 108 6.415 10.161 -2.764 808 HE1 PHE 108 2HE PHE 108 9.348 14.189 -2.764 809 HE2 PHE 108 1HE PHE 108 8.328 10.284 -4.284 810 HZ PHE 108 HZ PHE 108 9.840 12.279 -4.286 811 H LEU 109 H LEU 109 3.150 10.675 -1.955 812 HA LEU 109 HA LEU 109 3.446 10.371 -4.745 813 HB2 LEU 109 1HB LEU 109 1.376 9.454 -2.721 814 HB3 LEU 109 2HB LEU 109 1.176 9.052 -4.415 815 HG LEU 109 HG LEU 109 3.856 8.512 -3.093 816 HD11 LEU 109 1HD1 LEU 109 1.633 6.456 -3.004 817 HD12 LEU 109 2HD1 LEU 109 2.054 7.490 -1.612 818 HD13 LEU 109 3HD1 LEU 109 3.267 6.409 -2.283 819 HD21 LEU 109 3HD2 LEU 109 3.442 8.303 -5.531 820 HD22 LEU 109 1HD2 LEU 109 2.211 7.080 -5.245 821 HD23 LEU 109 2HD2 LEU 109 3.910 6.751 -4.817 822 H ASN 110 H ASN 110 1.133 12.289 -2.951 823 HA ASN 110 HA ASN 110 -0.354 13.119 -5.374 824 HB2 ASN 110 1HB ASN 110 -0.664 13.562 -2.395 825 HB3 ASN 110 2HB ASN 110 -1.549 14.516 -3.569 826 HD21 ASN 110 1HD2 ASN 110 -1.260 11.215 -2.237 827 HD22 ASN 110 2HD2 ASN 110 -2.841 10.736 -2.861 828 H ALA 111 H ALA 111 2.527 14.051 -3.953 829 HA ALA 111 HA ALA 111 2.252 16.908 -4.766 830 HB1 ALA 111 1HB ALA 111 4.079 17.334 -3.253 831 HB2 ALA 111 2HB ALA 111 2.848 16.402 -2.388 832 HB3 ALA 111 3HB ALA 111 4.326 15.600 -2.976 833 H LEU 112 H LEU 112 3.283 14.077 -6.120 834 HA LEU 112 HA LEU 112 5.604 15.141 -7.577 835 HB2 LEU 112 1HB LEU 112 3.827 12.737 -8.171 836 HB3 LEU 112 2HB LEU 112 5.318 13.176 -8.988 837 HG LEU 112 HG LEU 112 4.982 12.113 -6.172 838 HD11 LEU 112 1HD1 LEU 112 6.664 11.257 -8.553 839 HD12 LEU 112 2HD1 LEU 112 5.223 10.446 -7.908 840 HD13 LEU 112 3HD1 LEU 112 6.716 10.503 -6.946 841 HD21 LEU 112 3HD2 LEU 112 7.494 12.444 -5.929 842 HD22 LEU 112 1HD2 LEU 112 6.503 13.891 -5.785 843 HD23 LEU 112 2HD2 LEU 112 7.397 13.575 -7.293 844 H GLU 113 H GLU 113 2.118 14.799 -8.009 845 HA GLU 113 HA GLU 113 1.984 16.034 -10.611 846 HB2 GLU 113 1HB GLU 113 -0.464 16.161 -10.068 847 HB3 GLU 113 2HB GLU 113 0.227 14.545 -9.892 848 HG2 GLU 113 1HG GLU 113 0.448 15.009 -7.407 849 HG3 GLU 113 2HG GLU 113 -0.464 16.501 -7.654 850 H GLY 114 H GLY 114 0.876 18.190 -10.945 851 HA2 GLY 114 1HA GLY 114 0.648 20.284 -9.119 852 HA3 GLY 114 2HA GLY 114 2.359 20.227 -9.572 Start of MODEL 8 1 H1 MET 1 H MET 1 -14.387 -11.414 12.103 2 HA MET 1 HA MET 1 -13.258 -12.158 9.472 3 HB2 MET 1 1HB MET 1 -14.839 -13.870 11.430 4 HB3 MET 1 2HB MET 1 -14.301 -14.385 9.837 5 HG2 MET 1 1HG MET 1 -12.534 -13.637 12.168 6 HG3 MET 1 2HG MET 1 -12.796 -15.250 11.509 7 HE1 MET 1 3HE MET 1 -10.603 -15.495 8.426 8 HE2 MET 1 1HE MET 1 -11.284 -16.351 9.829 9 HE3 MET 1 2HE MET 1 -12.368 -15.546 8.667 10 H GLY 2 H GLY 2 -15.276 -13.392 8.240 11 HA2 GLY 2 1HA GLY 2 -17.340 -13.298 7.336 12 HA3 GLY 2 2HA GLY 2 -17.872 -12.264 8.672 13 H ALA 3 H ALA 3 -18.441 -10.259 8.066 14 HA ALA 3 HA ALA 3 -17.826 -9.157 5.440 15 HB1 ALA 3 1HB ALA 3 -19.180 -8.009 7.922 16 HB2 ALA 3 2HB ALA 3 -19.129 -7.201 6.346 17 HB3 ALA 3 3HB ALA 3 -19.984 -8.733 6.513 18 H GLY 4 H GLY 4 -17.184 -6.729 5.482 19 HA2 GLY 4 1HA GLY 4 -16.039 -5.227 7.334 20 HA3 GLY 4 2HA GLY 4 -14.666 -6.270 6.936 21 H GLN 5 H GLN 5 -15.514 -6.484 4.014 22 HA GLN 5 HA GLN 5 -15.177 -5.555 2.093 23 HB2 GLN 5 1HB GLN 5 -16.376 -3.130 3.389 24 HB3 GLN 5 2HB GLN 5 -16.399 -3.608 1.673 25 HG2 GLN 5 1HG GLN 5 -17.767 -5.590 2.230 26 HG3 GLN 5 2HG GLN 5 -17.834 -5.067 3.918 27 HE21 GLN 5 1HE2 GLN 5 -18.067 -2.079 2.751 28 HE22 GLN 5 2HE2 GLN 5 -19.783 -2.026 2.417 29 H THR 6 H THR 6 -13.080 -5.065 4.226 30 HA THR 6 HA THR 6 -11.371 -3.059 2.863 31 HB THR 6 HB THR 6 -10.473 -2.732 5.254 32 HG1 THR 6 1HG THR 6 -12.144 -3.294 6.855 33 HG21 THR 6 3HG2 THR 6 -13.380 -1.940 4.794 34 HG22 THR 6 1HG2 THR 6 -11.955 -1.080 4.172 35 HG23 THR 6 2HG2 THR 6 -12.232 -1.190 5.919 36 HA PRO 7 HA PRO 7 -8.488 -6.407 3.038 37 HB2 PRO 7 1HB PRO 7 -6.054 -5.214 2.890 38 HB3 PRO 7 2HB PRO 7 -7.233 -5.144 1.551 39 HG2 PRO 7 1HG PRO 7 -6.633 -3.001 3.589 40 HG3 PRO 7 2HG PRO 7 -6.953 -2.846 1.838 41 HD2 PRO 7 1HD PRO 7 -8.798 -2.509 3.929 42 HD3 PRO 7 2HD PRO 7 -9.207 -2.766 2.215 43 H HIS 8 H HIS 8 -9.266 -6.958 5.213 44 HA HIS 8 HA HIS 8 -8.868 -7.794 7.243 45 HB2 HIS 8 1HB HIS 8 -6.336 -7.632 6.448 46 HB3 HIS 8 2HB HIS 8 -6.283 -6.324 7.593 47 HD1 HIS 8 1HD HIS 8 -5.043 -7.190 9.559 48 HD2 HIS 8 2HD HIS 8 -7.252 -10.144 7.641 49 HE1 HIS 8 1HE HIS 8 -4.785 -9.284 10.999 50 HA PRO 9 HA PRO 9 -10.165 -4.277 9.750 51 HB2 PRO 9 1HB PRO 9 -10.239 -5.376 12.282 52 HB3 PRO 9 2HB PRO 9 -11.470 -5.691 11.029 53 HG2 PRO 9 1HG PRO 9 -9.098 -7.393 11.783 54 HG3 PRO 9 2HG PRO 9 -10.787 -7.912 11.461 55 HD2 PRO 9 1HD PRO 9 -8.822 -8.133 9.600 56 HD3 PRO 9 2HD PRO 9 -10.501 -7.744 9.142 57 H GLN 10 H GLN 10 -7.236 -6.130 10.716 58 HA GLN 10 HA GLN 10 -6.427 -4.156 12.682 59 HB2 GLN 10 1HB GLN 10 -4.914 -6.456 11.437 60 HB3 GLN 10 2HB GLN 10 -4.355 -5.537 12.809 61 HG2 GLN 10 1HG GLN 10 -6.978 -7.130 12.819 62 HG3 GLN 10 2HG GLN 10 -5.426 -7.792 13.292 63 HE21 GLN 10 1HE2 GLN 10 -7.458 -4.777 14.222 64 HE22 GLN 10 2HE2 GLN 10 -7.017 -4.997 15.879 65 H LEU 11 H LEU 11 -6.111 -4.188 9.267 66 HA LEU 11 HA LEU 11 -3.777 -2.567 8.967 67 HB2 LEU 11 1HB LEU 11 -4.908 -3.708 7.154 68 HB3 LEU 11 2HB LEU 11 -6.413 -2.838 7.436 69 HG LEU 11 HG LEU 11 -4.115 -1.012 6.979 70 HD11 LEU 11 1HD1 LEU 11 -4.918 -2.983 4.855 71 HD12 LEU 11 2HD1 LEU 11 -3.320 -2.814 5.586 72 HD13 LEU 11 3HD1 LEU 11 -3.957 -1.511 4.561 73 HD21 LEU 11 3HD2 LEU 11 -6.798 -1.324 5.572 74 HD22 LEU 11 1HD2 LEU 11 -5.665 0.030 5.398 75 HD23 LEU 11 2HD2 LEU 11 -6.471 -0.250 6.944 76 H ILE 12 H ILE 12 -3.512 -0.344 9.158 77 HA ILE 12 HA ILE 12 -5.905 1.321 9.862 78 HB ILE 12 HB ILE 12 -3.080 1.402 10.933 79 HG12 ILE 12 1HG1 ILE 12 -4.476 -0.216 12.092 80 HG13 ILE 12 2HG1 ILE 12 -3.957 1.116 13.115 81 HG21 ILE 12 1HG2 ILE 12 -3.721 3.702 10.544 82 HG22 ILE 12 2HG2 ILE 12 -5.296 3.461 11.324 83 HG23 ILE 12 3HG2 ILE 12 -3.779 3.380 12.273 84 HD11 ILE 12 3HD1 ILE 12 -6.748 0.780 11.913 85 HD12 ILE 12 1HD1 ILE 12 -6.278 0.436 13.584 86 HD13 ILE 12 2HD1 ILE 12 -6.237 2.102 12.993 87 H TRP 13 H TRP 13 -6.319 2.659 8.259 88 HA TRP 13 HA TRP 13 -4.605 3.096 6.033 89 HB2 TRP 13 1HB TRP 13 -6.897 4.835 7.000 90 HB3 TRP 13 2HB TRP 13 -6.234 4.832 5.396 91 HD1 TRP 13 HD TRP 13 -8.853 3.123 7.435 92 HE1 TRP 13 1HE TRP 13 -10.026 1.356 6.120 93 HE3 TRP 13 3HE TRP 13 -5.539 2.798 3.540 94 HZ2 TRP 13 2HZ TRP 13 -9.451 -0.288 3.769 95 HZ3 TRP 13 3HZ TRP 13 -5.811 0.962 1.866 96 HH2 TRP 13 HH TRP 13 -7.730 -0.562 1.973 97 HA PRO 14 HA PRO 14 -4.321 4.909 4.518 98 HB2 PRO 14 1HB PRO 14 -1.987 5.704 3.459 99 HB3 PRO 14 2HB PRO 14 -3.282 6.848 3.891 100 HG2 PRO 14 1HG PRO 14 -0.835 6.134 5.542 101 HG3 PRO 14 2HG PRO 14 -1.475 7.768 5.167 102 HD2 PRO 14 1HD PRO 14 -2.086 6.532 7.502 103 HD3 PRO 14 2HD PRO 14 -3.325 7.464 6.620 104 H ALA 15 H ALA 15 -3.119 3.659 2.785 105 HA ALA 15 HA ALA 15 -1.131 1.754 3.802 106 HB1 ALA 15 1HB ALA 15 -3.665 0.847 2.384 107 HB2 ALA 15 2HB ALA 15 -2.368 -0.180 3.011 108 HB3 ALA 15 3HB ALA 15 -3.398 0.713 4.144 109 H LEU 16 H LEU 16 -0.422 0.344 1.927 110 HA LEU 16 HA LEU 16 -0.174 1.836 -0.631 111 HB2 LEU 16 1HB LEU 16 1.947 1.045 1.398 112 HB3 LEU 16 2HB LEU 16 2.368 1.067 -0.313 113 HG LEU 16 HG LEU 16 1.158 3.476 1.102 114 HD11 LEU 16 1HD1 LEU 16 4.104 2.862 0.601 115 HD12 LEU 16 2HD1 LEU 16 3.289 2.907 2.178 116 HD13 LEU 16 3HD1 LEU 16 3.440 4.390 1.225 117 HD21 LEU 16 3HD2 LEU 16 2.824 3.359 -1.456 118 HD22 LEU 16 1HD2 LEU 16 1.924 4.737 -0.809 119 HD23 LEU 16 2HD2 LEU 16 1.062 3.339 -1.465 120 H LEU 17 H LEU 17 -0.981 0.421 -2.050 121 HA LEU 17 HA LEU 17 -0.490 -2.496 -1.835 122 HB2 LEU 17 1HB LEU 17 -2.779 -1.489 -2.381 123 HB3 LEU 17 2HB LEU 17 -2.035 -0.792 -3.808 124 HG LEU 17 HG LEU 17 -1.593 -3.110 -4.687 125 HD11 LEU 17 1HD1 LEU 17 -3.405 -3.900 -2.352 126 HD12 LEU 17 2HD1 LEU 17 -1.702 -4.382 -2.569 127 HD13 LEU 17 3HD1 LEU 17 -2.941 -4.934 -3.705 128 HD21 LEU 17 3HD2 LEU 17 -3.535 -1.750 -5.404 129 HD22 LEU 17 1HD2 LEU 17 -4.500 -2.409 -4.070 130 HD23 LEU 17 2HD2 LEU 17 -3.919 -3.475 -5.373 131 H LYS 18 H LYS 18 0.757 -3.708 -3.560 132 HA LYS 18 HA LYS 18 1.707 -1.993 -5.701 133 HB2 LYS 18 1HB LYS 18 3.324 -2.069 -3.603 134 HB3 LYS 18 2HB LYS 18 3.836 -3.615 -4.270 135 HG2 LYS 18 1HG LYS 18 3.634 -1.045 -5.923 136 HG3 LYS 18 2HG LYS 18 5.069 -1.415 -4.969 137 HD2 LYS 18 1HD LYS 18 4.052 -3.426 -7.002 138 HD3 LYS 18 2HD LYS 18 5.001 -2.020 -7.486 139 HE2 LYS 18 1HE LYS 18 6.800 -2.607 -6.003 140 HE3 LYS 18 2HE LYS 18 5.807 -3.922 -5.289 141 HZ1 LYS 18 3HZ LYS 18 6.027 -5.151 -7.204 142 HZ2 LYS 18 1HZ LYS 18 7.542 -4.541 -6.997 143 HZ3 LYS 18 2HZ LYS 18 6.496 -3.922 -8.162 144 H GLN 19 H GLN 19 0.279 -3.144 -6.960 145 HA GLN 19 HA GLN 19 -0.359 -5.764 -6.945 146 HB2 GLN 19 1HB GLN 19 -0.099 -4.051 -9.438 147 HB3 GLN 19 2HB GLN 19 -1.019 -5.538 -9.326 148 HG2 GLN 19 1HG GLN 19 -2.008 -3.991 -7.175 149 HG3 GLN 19 2HG GLN 19 -1.629 -2.840 -8.465 150 HE21 GLN 19 1HE2 GLN 19 -3.747 -5.371 -7.471 151 HE22 GLN 19 2HE2 GLN 19 -4.950 -5.121 -8.762 152 H GLN 20 H GLN 20 0.220 -7.694 -7.909 153 HA GLN 20 HA GLN 20 3.012 -8.064 -8.328 154 HB2 GLN 20 1HB GLN 20 0.639 -9.721 -8.043 155 HB3 GLN 20 2HB GLN 20 1.587 -10.278 -9.426 156 HG2 GLN 20 1HG GLN 20 3.627 -10.294 -7.998 157 HG3 GLN 20 2HG GLN 20 2.640 -9.819 -6.602 158 HE21 GLN 20 1HE2 GLN 20 4.136 -12.154 -6.442 159 HE22 GLN 20 2HE2 GLN 20 3.047 -13.544 -6.570 160 H GLY 21 H GLY 21 4.185 -7.569 -9.972 161 HA2 GLY 21 1HA GLY 21 4.542 -7.877 -12.459 162 HA3 GLY 21 2HA GLY 21 2.925 -7.186 -12.659 163 H CYS 22 H CYS 22 2.666 -5.151 -11.030 164 HA CYS 22 HA CYS 22 4.243 -3.270 -12.550 165 HB2 CYS 22 1HB CYS 22 1.645 -3.221 -11.515 166 HB3 CYS 22 2HB CYS 22 2.499 -2.221 -10.386 167 HG CYS 22 HG CYS 22 1.369 -0.719 -12.181 168 H ASN 23 H ASN 23 4.688 -1.156 -11.333 169 HA ASN 23 HA ASN 23 6.461 -1.606 -8.963 170 HB2 ASN 23 1HB ASN 23 7.057 0.346 -11.188 171 HB3 ASN 23 2HB ASN 23 8.110 -0.090 -9.913 172 HD21 ASN 23 1HD2 ASN 23 7.393 -0.777 -13.167 173 HD22 ASN 23 2HD2 ASN 23 7.860 -2.474 -13.203 174 H GLU 24 H GLU 24 3.775 0.071 -10.409 175 HA GLU 24 HA GLU 24 4.170 2.596 -9.032 176 HB2 GLU 24 1HB GLU 24 2.759 1.738 -11.324 177 HB3 GLU 24 2HB GLU 24 1.465 1.844 -10.134 178 HG2 GLU 24 1HG GLU 24 2.438 4.216 -9.616 179 HG3 GLU 24 2HG GLU 24 3.329 3.992 -11.149 180 H LEU 25 H LEU 25 3.860 2.711 -6.870 181 HA LEU 25 HA LEU 25 2.190 0.779 -5.484 182 HB2 LEU 25 1HB LEU 25 3.464 3.411 -4.688 183 HB3 LEU 25 2HB LEU 25 2.338 2.574 -3.625 184 HG LEU 25 HG LEU 25 4.239 0.650 -4.668 185 HD11 LEU 25 1HD1 LEU 25 6.159 1.648 -3.239 186 HD12 LEU 25 2HD1 LEU 25 5.446 3.187 -3.759 187 HD13 LEU 25 3HD1 LEU 25 5.953 1.967 -4.969 188 HD21 LEU 25 3HD2 LEU 25 4.082 1.520 -1.794 189 HD22 LEU 25 1HD2 LEU 25 4.439 -0.080 -2.481 190 HD23 LEU 25 2HD2 LEU 25 2.799 0.537 -2.560 191 H LEU 26 H LEU 26 0.236 1.064 -4.663 192 HA LEU 26 HA LEU 26 -1.445 3.234 -5.737 193 HB2 LEU 26 1HB LEU 26 -1.882 0.473 -5.808 194 HB3 LEU 26 2HB LEU 26 -2.910 1.034 -4.489 195 HG LEU 26 HG LEU 26 -4.123 0.980 -6.562 196 HD11 LEU 26 1HD1 LEU 26 -5.024 3.266 -6.509 197 HD12 LEU 26 2HD1 LEU 26 -3.651 3.789 -5.521 198 HD13 LEU 26 3HD1 LEU 26 -4.803 2.594 -4.886 199 HD21 LEU 26 3HD2 LEU 26 -3.665 2.377 -8.461 200 HD22 LEU 26 1HD2 LEU 26 -2.159 1.508 -8.108 201 HD23 LEU 26 2HD2 LEU 26 -2.329 3.189 -7.640 202 HA PRO 27 HA PRO 27 -0.943 4.384 -1.274 203 HB2 PRO 27 1HB PRO 27 -1.332 7.048 -1.639 204 HB3 PRO 27 2HB PRO 27 0.245 6.273 -1.953 205 HG2 PRO 27 1HG PRO 27 -1.883 6.994 -3.990 206 HG3 PRO 27 2HG PRO 27 -0.123 7.322 -4.038 207 HD2 PRO 27 1HD PRO 27 -1.259 5.187 -5.279 208 HD3 PRO 27 2HD PRO 27 0.372 5.100 -4.567 209 H LEU 28 H LEU 28 -2.728 4.187 -0.035 210 HA LEU 28 HA LEU 28 -5.399 5.006 -1.101 211 HB2 LEU 28 1HB LEU 28 -4.624 2.689 0.707 212 HB3 LEU 28 2HB LEU 28 -6.220 3.367 0.670 213 HG LEU 28 HG LEU 28 -6.470 1.511 -0.591 214 HD11 LEU 28 1HD1 LEU 28 -6.889 2.117 -2.913 215 HD12 LEU 28 2HD1 LEU 28 -5.878 3.564 -2.763 216 HD13 LEU 28 3HD1 LEU 28 -7.379 3.424 -1.839 217 HD21 LEU 28 3HD2 LEU 28 -4.041 0.952 -0.849 218 HD22 LEU 28 1HD2 LEU 28 -4.037 2.029 -2.272 219 HD23 LEU 28 2HD2 LEU 28 -5.089 0.605 -2.256 220 H ARG 29 H ARG 29 -5.692 7.040 -0.156 221 HA ARG 29 HA ARG 29 -4.199 7.824 2.144 222 HB2 ARG 29 1HB ARG 29 -6.730 9.237 1.222 223 HB3 ARG 29 2HB ARG 29 -5.356 9.909 2.117 224 HG2 ARG 29 1HG ARG 29 -3.947 9.377 0.009 225 HG3 ARG 29 2HG ARG 29 -5.515 9.084 -0.789 226 HD2 ARG 29 1HD ARG 29 -6.172 11.425 0.081 227 HD3 ARG 29 2HD ARG 29 -4.451 11.666 0.391 228 HE ARG 29 HE ARG 29 -4.207 10.923 -2.083 229 HH11 ARG 29 1HH1 ARG 29 -6.769 13.079 -0.948 230 HH12 ARG 29 2HH1 ARG 29 -7.431 13.316 -2.546 231 HH21 ARG 29 1HH2 ARG 29 -4.774 11.592 -4.106 232 HH22 ARG 29 2HH2 ARG 29 -6.154 12.578 -4.433 233 H THR 30 H THR 30 -7.482 6.595 1.871 234 HA THR 30 HA THR 30 -7.919 6.455 4.764 235 HB THR 30 HB THR 30 -10.151 7.690 4.445 236 HG1 THR 30 1HG THR 30 -8.970 8.113 1.965 237 HG21 THR 30 3HG2 THR 30 -8.184 8.738 5.586 238 HG22 THR 30 1HG2 THR 30 -9.258 9.893 4.773 239 HG23 THR 30 2HG2 THR 30 -7.714 9.434 4.016 240 H ASN 31 H ASN 31 -10.082 5.246 5.074 241 HA ASN 31 HA ASN 31 -10.382 2.925 3.549 242 HB2 ASN 31 1HB ASN 31 -11.465 3.161 5.699 243 HB3 ASN 31 2HB ASN 31 -12.376 4.555 5.173 244 HD21 ASN 31 1HD2 ASN 31 -12.388 1.109 5.361 245 HD22 ASN 31 2HD2 ASN 31 -13.898 0.878 4.485 246 H ASP 32 H ASP 32 -11.884 6.080 2.944 247 HA ASP 32 HA ASP 32 -13.789 5.361 1.039 248 HB2 ASP 32 1HB ASP 32 -12.303 7.833 1.898 249 HB3 ASP 32 2HB ASP 32 -12.977 7.923 0.292 250 H ASP 33 H ASP 33 -10.396 5.377 0.614 251 HA ASP 33 HA ASP 33 -10.387 5.909 -2.289 252 HB2 ASP 33 1HB ASP 33 -8.756 6.656 -0.410 253 HB3 ASP 33 2HB ASP 33 -8.162 5.008 -0.398 254 H TRP 34 H TRP 34 -9.686 3.062 -0.111 255 HA TRP 34 HA TRP 34 -9.178 1.176 -2.145 256 HB2 TRP 34 1HB TRP 34 -8.660 0.683 0.086 257 HB3 TRP 34 2HB TRP 34 -10.288 1.007 0.666 258 HD1 TRP 34 HD TRP 34 -11.920 -1.006 0.797 259 HE1 TRP 34 1HE TRP 34 -11.664 -3.550 0.465 260 HE3 TRP 34 3HE TRP 34 -7.386 -1.045 -1.531 261 HZ2 TRP 34 2HZ TRP 34 -9.562 -5.365 -0.378 262 HZ3 TRP 34 3HZ TRP 34 -6.234 -3.184 -2.041 263 HH2 TRP 34 HH TRP 34 -7.311 -5.352 -1.451 264 H GLN 35 H GLN 35 -12.222 2.424 -0.790 265 HA GLN 35 HA GLN 35 -14.120 0.663 -1.917 266 HB2 GLN 35 1HB GLN 35 -14.267 3.704 -1.703 267 HB3 GLN 35 2HB GLN 35 -15.639 2.647 -1.899 268 HG2 GLN 35 1HG GLN 35 -13.847 2.228 0.516 269 HG3 GLN 35 2HG GLN 35 -14.959 3.582 0.481 270 HE21 GLN 35 1HE2 GLN 35 -16.596 3.050 1.858 271 HE22 GLN 35 2HE2 GLN 35 -17.552 1.595 1.726 272 H ARG 36 H ARG 36 -12.427 3.442 -3.378 273 HA ARG 36 HA ARG 36 -14.042 3.640 -5.719 274 HB2 ARG 36 1HB ARG 36 -11.212 4.662 -5.200 275 HB3 ARG 36 2HB ARG 36 -12.302 5.201 -6.463 276 HG2 ARG 36 1HG ARG 36 -13.761 5.391 -3.979 277 HG3 ARG 36 2HG ARG 36 -12.130 6.037 -3.715 278 HD2 ARG 36 1HD ARG 36 -12.407 7.574 -5.569 279 HD3 ARG 36 2HD ARG 36 -13.992 6.790 -5.948 280 HE ARG 36 HE ARG 36 -13.577 8.001 -3.282 281 HH11 ARG 36 1HH1 ARG 36 -15.040 8.550 -6.483 282 HH12 ARG 36 2HH1 ARG 36 -16.449 9.307 -5.833 283 HH21 ARG 36 1HH2 ARG 36 -15.490 8.843 -2.455 284 HH22 ARG 36 2HH2 ARG 36 -16.661 9.609 -3.466 285 H PHE 37 H PHE 37 -11.292 1.654 -4.918 286 HA PHE 37 HA PHE 37 -10.560 1.066 -7.652 287 HB2 PHE 37 1HB PHE 37 -9.200 0.709 -5.442 288 HB3 PHE 37 2HB PHE 37 -10.092 -0.794 -5.279 289 HD1 PHE 37 1HD PHE 37 -10.035 -2.399 -7.452 290 HD2 PHE 37 2HD PHE 37 -7.189 0.767 -6.643 291 HE1 PHE 37 1HE PHE 37 -8.400 -3.488 -8.936 292 HE2 PHE 37 2HE PHE 37 -5.582 -0.310 -8.156 293 HZ PHE 37 HZ PHE 37 -6.151 -2.457 -9.292 294 H CYS 38 H CYS 38 -12.168 -1.086 -5.256 295 HA CYS 38 HA CYS 38 -13.045 -2.882 -7.294 296 HB2 CYS 38 1HB CYS 38 -13.843 -2.560 -4.385 297 HB3 CYS 38 2HB CYS 38 -14.485 -3.813 -5.437 298 HG CYS 38 HG CYS 38 -11.609 -3.333 -4.125 299 H ALA 39 H ALA 39 -14.409 0.129 -6.265 300 HA ALA 39 HA ALA 39 -17.116 -0.292 -7.128 301 HB1 ALA 39 1HB ALA 39 -16.509 1.554 -5.629 302 HB2 ALA 39 2HB ALA 39 -15.412 2.227 -6.861 303 HB3 ALA 39 3HB ALA 39 -17.160 2.198 -7.146 304 H ASP 40 H ASP 40 -14.136 -0.217 -8.902 305 HA ASP 40 HA ASP 40 -15.753 0.154 -11.330 306 HB2 ASP 40 1HB ASP 40 -14.036 2.030 -10.764 307 HB3 ASP 40 2HB ASP 40 -12.841 0.882 -11.352 308 H SER 41 H SER 41 -15.868 -2.044 -10.327 309 HA SER 41 HA SER 41 -15.832 -4.236 -10.684 310 HB2 SER 41 1HB SER 41 -15.149 -3.640 -13.124 311 HB3 SER 41 2HB SER 41 -13.503 -4.066 -12.619 312 HG SER 41 HG SER 41 -14.521 -5.845 -13.470 313 H LYS 42 H LYS 42 -14.456 -6.109 -10.189 314 HA LYS 42 HA LYS 42 -12.265 -5.403 -8.283 315 HB2 LYS 42 1HB LYS 42 -13.834 -7.997 -8.225 316 HB3 LYS 42 2HB LYS 42 -12.729 -7.338 -7.031 317 HG2 LYS 42 1HG LYS 42 -14.696 -6.820 -5.976 318 HG3 LYS 42 2HG LYS 42 -14.474 -5.345 -6.922 319 HD2 LYS 42 1HD LYS 42 -16.766 -6.002 -7.148 320 HD3 LYS 42 2HD LYS 42 -16.000 -6.325 -8.690 321 HE2 LYS 42 1HE LYS 42 -15.564 -8.732 -7.615 322 HE3 LYS 42 2HE LYS 42 -16.890 -8.275 -6.554 323 HZ1 LYS 42 3HZ LYS 42 -18.292 -8.051 -8.486 324 HZ2 LYS 42 1HZ LYS 42 -17.545 -9.505 -8.563 325 HZ3 LYS 42 2HZ LYS 42 -17.044 -8.264 -9.521 326 H HIS 43 H HIS 43 -11.563 -5.250 -10.806 327 HA HIS 43 HA HIS 43 -10.710 -7.760 -11.993 328 HB2 HIS 43 1HB HIS 43 -11.194 -5.170 -12.872 329 HB3 HIS 43 2HB HIS 43 -9.459 -5.142 -12.724 330 HD1 HIS 43 1HD HIS 43 -10.575 -4.655 -15.464 331 HD2 HIS 43 2HD HIS 43 -9.960 -8.561 -13.935 332 HE1 HIS 43 1HE HIS 43 -10.437 -6.208 -17.464 333 H LEU 44 H LEU 44 -8.149 -7.865 -12.393 334 HA LEU 44 HA LEU 44 -6.109 -8.121 -11.519 335 HB2 LEU 44 1HB LEU 44 -6.558 -5.485 -10.348 336 HB3 LEU 44 2HB LEU 44 -5.013 -6.239 -10.710 337 HG LEU 44 HG LEU 44 -7.194 -5.401 -12.699 338 HD11 LEU 44 1HD1 LEU 44 -4.422 -4.383 -12.235 339 HD12 LEU 44 2HD1 LEU 44 -5.895 -3.614 -11.578 340 HD13 LEU 44 3HD1 LEU 44 -5.655 -3.712 -13.338 341 HD21 LEU 44 3HD2 LEU 44 -6.031 -7.335 -13.532 342 HD22 LEU 44 1HD2 LEU 44 -4.469 -6.671 -13.037 343 HD23 LEU 44 2HD2 LEU 44 -5.411 -5.933 -14.387 344 H LEU 45 H LEU 45 -5.034 -7.308 -9.071 345 HA LEU 45 HA LEU 45 -4.856 -7.755 -6.876 346 HB2 LEU 45 1HB LEU 45 -7.780 -8.468 -7.097 347 HB3 LEU 45 2HB LEU 45 -6.930 -8.128 -5.582 348 HG LEU 45 HG LEU 45 -7.152 -6.131 -7.910 349 HD11 LEU 45 1HD1 LEU 45 -9.414 -6.672 -7.095 350 HD12 LEU 45 2HD1 LEU 45 -8.968 -5.034 -6.635 351 HD13 LEU 45 3HD1 LEU 45 -8.930 -6.342 -5.426 352 HD21 LEU 45 3HD2 LEU 45 -5.335 -5.897 -6.114 353 HD22 LEU 45 1HD2 LEU 45 -6.605 -5.650 -4.932 354 HD23 LEU 45 2HD2 LEU 45 -6.398 -4.504 -6.294 355 H GLN 46 H GLN 46 -3.435 -9.305 -7.161 356 HA GLN 46 HA GLN 46 -4.356 -12.151 -7.344 357 HB2 GLN 46 1HB GLN 46 -1.504 -11.137 -7.756 358 HB3 GLN 46 2HB GLN 46 -2.206 -12.702 -8.208 359 HG2 GLN 46 1HG GLN 46 -2.281 -11.749 -10.249 360 HG3 GLN 46 2HG GLN 46 -3.843 -11.130 -9.704 361 HE21 GLN 46 1HE2 GLN 46 -3.895 -8.912 -9.141 362 HE22 GLN 46 2HE2 GLN 46 -2.490 -7.874 -9.052 363 H TYR 47 H TYR 47 -2.984 -13.811 -6.210 364 HA TYR 47 HA TYR 47 -2.737 -13.256 -3.390 365 HB2 TYR 47 1HB TYR 47 -1.895 -15.702 -4.938 366 HB3 TYR 47 2HB TYR 47 -2.205 -15.594 -3.206 367 HD1 TYR 47 1HD TYR 47 -4.763 -14.237 -2.943 368 HD2 TYR 47 2HD TYR 47 -3.534 -17.100 -5.922 369 HE1 TYR 47 1HE TYR 47 -7.126 -14.758 -3.404 370 HE2 TYR 47 2HE TYR 47 -5.876 -17.671 -6.327 371 HH TYR 47 HH TYR 47 -8.607 -16.219 -4.562 372 H GLY 48 H GLY 48 -1.277 -11.578 -3.555 373 HA2 GLY 48 1HA GLY 48 1.417 -11.880 -2.949 374 HA3 GLY 48 2HA GLY 48 1.322 -12.041 -4.709 375 H ASP 49 H ASP 49 -1.214 -9.965 -4.044 376 HA ASP 49 HA ASP 49 0.049 -7.906 -5.372 377 HB2 ASP 49 1HB ASP 49 -2.574 -8.577 -4.481 378 HB3 ASP 49 2HB ASP 49 -2.279 -6.989 -3.884 379 H LYS 50 H LYS 50 0.519 -8.518 -2.206 380 HA LYS 50 HA LYS 50 1.078 -7.622 -0.269 381 HB2 LYS 50 1HB LYS 50 3.206 -7.535 -1.819 382 HB3 LYS 50 2HB LYS 50 2.977 -5.775 -1.690 383 HG2 LYS 50 1HG LYS 50 2.811 -6.203 0.885 384 HG3 LYS 50 2HG LYS 50 3.491 -7.781 0.543 385 HD2 LYS 50 1HD LYS 50 4.798 -5.083 -0.050 386 HD3 LYS 50 2HD LYS 50 5.086 -6.090 1.376 387 HE2 LYS 50 1HE LYS 50 5.739 -7.965 -0.265 388 HE3 LYS 50 2HE LYS 50 5.838 -6.711 -1.496 389 HZ1 LYS 50 3HZ LYS 50 7.370 -6.679 1.051 390 HZ2 LYS 50 1HZ LYS 50 7.584 -5.645 -0.199 391 HZ3 LYS 50 2HZ LYS 50 7.962 -7.218 -0.375 392 H LEU 51 H LEU 51 0.474 -6.231 1.257 393 HA LEU 51 HA LEU 51 -0.013 -3.411 0.542 394 HB2 LEU 51 1HB LEU 51 -2.063 -5.146 1.231 395 HB3 LEU 51 2HB LEU 51 -1.487 -4.632 2.829 396 HG LEU 51 HG LEU 51 -1.938 -2.309 2.296 397 HD11 LEU 51 1HD1 LEU 51 -3.476 -3.194 -0.180 398 HD12 LEU 51 2HD1 LEU 51 -1.800 -2.708 -0.300 399 HD13 LEU 51 3HD1 LEU 51 -2.960 -1.548 0.317 400 HD21 LEU 51 3HD2 LEU 51 -4.378 -2.566 2.440 401 HD22 LEU 51 1HD2 LEU 51 -3.616 -3.922 3.302 402 HD23 LEU 51 2HD2 LEU 51 -4.291 -4.184 1.700 403 H VAL 52 H VAL 52 0.680 -1.940 2.168 404 HA VAL 52 HA VAL 52 1.505 -3.082 4.739 405 HB VAL 52 HB VAL 52 3.181 -1.024 3.237 406 HG11 VAL 52 1HG1 VAL 52 3.824 -2.498 5.840 407 HG12 VAL 52 2HG1 VAL 52 4.714 -1.143 5.080 408 HG13 VAL 52 3HG1 VAL 52 3.143 -0.874 5.799 409 HG21 VAL 52 3HG2 VAL 52 3.864 -3.936 3.884 410 HG22 VAL 52 1HG2 VAL 52 3.595 -3.266 2.258 411 HG23 VAL 52 2HG2 VAL 52 4.978 -2.733 3.203 412 H ASP 53 H ASP 53 0.879 -1.697 6.405 413 HA ASP 53 HA ASP 53 -0.633 0.769 5.766 414 HB2 ASP 53 1HB ASP 53 -2.192 0.122 7.348 415 HB3 ASP 53 2HB ASP 53 -1.825 -1.392 6.545 416 H SER 54 H SER 54 -0.935 1.791 8.326 417 HA SER 54 HA SER 54 1.618 2.984 8.823 418 HB2 SER 54 1HB SER 54 0.535 4.051 10.672 419 HB3 SER 54 2HB SER 54 -0.598 4.015 9.291 420 HG SER 54 HG SER 54 -0.709 2.688 11.731 421 H ASN 55 H ASN 55 0.076 0.164 10.212 422 HA ASN 55 HA ASN 55 1.708 -0.012 12.592 423 HB2 ASN 55 1HB ASN 55 0.083 -2.152 11.173 424 HB3 ASN 55 2HB ASN 55 0.884 -2.364 12.716 425 HD21 ASN 55 1HD2 ASN 55 -1.979 -1.244 11.225 426 HD22 ASN 55 2HD2 ASN 55 -2.704 -0.563 12.676 427 H PHE 56 H PHE 56 2.433 -0.723 9.296 428 HA PHE 56 HA PHE 56 4.089 -1.864 8.250 429 HB2 PHE 56 1HB PHE 56 5.487 -0.956 10.771 430 HB3 PHE 56 2HB PHE 56 6.340 -1.807 9.567 431 HD1 PHE 56 1HD PHE 56 6.145 -0.995 7.092 432 HD2 PHE 56 2HD PHE 56 5.283 1.450 10.550 433 HE1 PHE 56 1HE PHE 56 6.648 1.015 5.797 434 HE2 PHE 56 2HE PHE 56 5.903 3.471 9.261 435 HZ PHE 56 HZ PHE 56 6.660 3.255 6.910 436 H HIS 57 H HIS 57 2.402 -3.643 8.896 437 HA HIS 57 HA HIS 57 3.721 -5.846 10.434 438 HB2 HIS 57 1HB HIS 57 0.975 -4.661 10.356 439 HB3 HIS 57 2HB HIS 57 1.124 -6.381 10.632 440 HD1 HIS 57 1HD HIS 57 -0.078 -5.387 13.048 441 HD2 HIS 57 2HD HIS 57 4.017 -4.635 12.342 442 HE1 HIS 57 1HE HIS 57 0.984 -4.933 15.301 443 H CYS 58 H CYS 58 3.310 -5.056 7.563 444 HA CYS 58 HA CYS 58 3.159 -5.808 5.453 445 HB2 CYS 58 1HB CYS 58 4.595 -8.125 6.790 446 HB3 CYS 58 2HB CYS 58 4.321 -8.091 5.055 447 HG CYS 58 HG CYS 58 5.584 -5.996 4.467 448 H PHE 59 H PHE 59 1.544 -6.443 4.101 449 HA PHE 59 HA PHE 59 0.116 -8.915 4.947 450 HB2 PHE 59 1HB PHE 59 -1.179 -6.463 3.777 451 HB3 PHE 59 2HB PHE 59 -1.962 -7.911 4.384 452 HD1 PHE 59 1HD PHE 59 -1.047 -8.499 6.933 453 HD2 PHE 59 2HD PHE 59 -1.363 -4.574 5.228 454 HE1 PHE 59 1HE PHE 59 -0.849 -7.514 9.204 455 HE2 PHE 59 2HE PHE 59 -1.416 -3.603 7.500 456 HZ PHE 59 HZ PHE 59 -1.021 -5.051 9.511 457 H VAL 60 H VAL 60 -0.410 -10.298 3.398 458 HA VAL 60 HA VAL 60 -0.100 -9.629 0.573 459 HB VAL 60 HB VAL 60 1.175 -11.961 2.044 460 HG11 VAL 60 1HG1 VAL 60 -0.035 -13.009 0.242 461 HG12 VAL 60 2HG1 VAL 60 0.527 -11.790 -0.929 462 HG13 VAL 60 3HG1 VAL 60 1.670 -12.953 -0.208 463 HG21 VAL 60 3HG2 VAL 60 3.128 -11.296 0.610 464 HG22 VAL 60 1HG2 VAL 60 2.184 -9.938 -0.011 465 HG23 VAL 60 2HG2 VAL 60 2.614 -10.010 1.716 466 H LEU 61 H LEU 61 -1.618 -10.717 -0.669 467 HA LEU 61 HA LEU 61 -4.105 -11.424 0.712 468 HB2 LEU 61 1HB LEU 61 -3.955 -9.988 -1.411 469 HB3 LEU 61 2HB LEU 61 -3.301 -11.389 -2.244 470 HG LEU 61 HG LEU 61 -5.481 -12.603 -1.633 471 HD11 LEU 61 1HD1 LEU 61 -6.362 -9.749 -1.051 472 HD12 LEU 61 2HD1 LEU 61 -6.302 -11.077 0.112 473 HD13 LEU 61 3HD1 LEU 61 -7.448 -11.147 -1.225 474 HD21 LEU 61 3HD2 LEU 61 -5.370 -10.279 -3.567 475 HD22 LEU 61 1HD2 LEU 61 -6.749 -11.423 -3.485 476 HD23 LEU 61 2HD2 LEU 61 -5.137 -11.999 -3.880 477 H GLU 62 H GLU 62 -4.951 -13.437 0.854 478 HA GLU 62 HA GLU 62 -3.236 -15.760 0.204 479 HB2 GLU 62 1HB GLU 62 -5.303 -15.233 2.259 480 HB3 GLU 62 2HB GLU 62 -4.728 -16.853 1.903 481 HG2 GLU 62 1HG GLU 62 -2.742 -14.582 2.418 482 HG3 GLU 62 2HG GLU 62 -3.492 -15.479 3.672 483 H GLU 63 H GLU 63 -4.516 -17.735 -0.376 484 HA GLU 63 HA GLU 63 -6.458 -17.309 -2.472 485 HB2 GLU 63 1HB GLU 63 -5.383 -19.754 -1.042 486 HB3 GLU 63 2HB GLU 63 -6.617 -19.881 -2.300 487 HG2 GLU 63 1HG GLU 63 -5.221 -18.949 -3.966 488 HG3 GLU 63 2HG GLU 63 -4.042 -18.354 -2.810 489 H ASP 64 H ASP 64 -6.872 -17.280 0.865 490 HA ASP 64 HA ASP 64 -9.740 -18.041 0.876 491 HB2 ASP 64 1HB ASP 64 -8.231 -18.576 2.787 492 HB3 ASP 64 2HB ASP 64 -7.939 -16.853 3.013 493 H ALA 65 H ALA 65 -8.080 -15.577 -0.455 494 HA ALA 65 HA ALA 65 -8.253 -13.464 -0.948 495 HB1 ALA 65 1HB ALA 65 -11.225 -13.782 -0.393 496 HB2 ALA 65 2HB ALA 65 -10.466 -12.418 -1.241 497 HB3 ALA 65 3HB ALA 65 -10.388 -14.038 -1.931 498 H HIS 66 H HIS 66 -8.189 -14.334 2.121 499 HA HIS 66 HA HIS 66 -8.732 -11.688 3.276 500 HB2 HIS 66 1HB HIS 66 -8.117 -12.500 5.357 501 HB3 HIS 66 2HB HIS 66 -9.247 -13.618 4.642 502 HD1 HIS 66 1HD HIS 66 -8.525 -16.050 5.481 503 HD2 HIS 66 2HD HIS 66 -5.298 -13.496 4.502 504 HE1 HIS 66 1HE HIS 66 -6.423 -17.227 6.198 505 H TRP 67 H TRP 67 -6.970 -10.668 4.475 506 HA TRP 67 HA TRP 67 -4.365 -10.777 3.015 507 HB2 TRP 67 1HB TRP 67 -5.807 -8.591 4.549 508 HB3 TRP 67 2HB TRP 67 -4.080 -8.525 4.215 509 HD1 TRP 67 HD TRP 67 -7.445 -8.365 2.439 510 HE1 TRP 67 1HE TRP 67 -7.156 -7.529 0.035 511 HE3 TRP 67 3HE TRP 67 -2.400 -8.439 2.247 512 HZ2 TRP 67 2HZ TRP 67 -4.905 -6.584 -1.623 513 HZ3 TRP 67 3HZ TRP 67 -1.177 -7.644 0.278 514 HH2 TRP 67 HH TRP 67 -2.408 -6.660 -1.670 515 H HIS 68 H HIS 68 -2.743 -11.768 4.133 516 HA HIS 68 HA HIS 68 -3.311 -12.514 6.953 517 HB2 HIS 68 1HB HIS 68 -2.884 -14.362 5.501 518 HB3 HIS 68 2HB HIS 68 -1.534 -13.560 4.709 519 HD1 HIS 68 1HD HIS 68 -2.282 -15.114 8.215 520 HD2 HIS 68 2HD HIS 68 0.773 -14.404 5.396 521 HE1 HIS 68 1HE HIS 68 -0.214 -16.244 9.113 522 HA PRO 69 HA PRO 69 0.094 -9.707 8.125 523 HB2 PRO 69 1HB PRO 69 0.525 -10.526 10.695 524 HB3 PRO 69 2HB PRO 69 -0.925 -9.606 10.206 525 HG2 PRO 69 1HG PRO 69 -0.666 -12.597 10.538 526 HG3 PRO 69 2HG PRO 69 -1.935 -11.523 11.189 527 HD2 PRO 69 1HD PRO 69 -2.305 -12.931 8.912 528 HD3 PRO 69 2HD PRO 69 -2.944 -11.273 9.081 529 H ALA 70 H ALA 70 2.165 -9.854 7.537 530 HA ALA 70 HA ALA 70 3.421 -12.556 7.409 531 HB1 ALA 70 1HB ALA 70 4.409 -11.831 5.315 532 HB2 ALA 70 2HB ALA 70 2.642 -11.683 5.249 533 HB3 ALA 70 3HB ALA 70 3.647 -10.235 5.474 534 H ALA 71 H ALA 71 3.668 -10.989 9.709 535 HA ALA 71 HA ALA 71 5.093 -10.351 11.240 536 HB1 ALA 71 1HB ALA 71 7.293 -11.231 9.340 537 HB2 ALA 71 2HB ALA 71 7.438 -11.040 11.082 538 HB3 ALA 71 3HB ALA 71 6.385 -12.288 10.423 539 HA PRO 72 HA PRO 72 5.756 -6.193 10.602 540 HB2 PRO 72 1HB PRO 72 7.885 -5.331 12.174 541 HB3 PRO 72 2HB PRO 72 6.270 -5.795 12.778 542 HG2 PRO 72 1HG PRO 72 8.774 -7.503 12.560 543 HG3 PRO 72 2HG PRO 72 7.676 -7.340 13.963 544 HD2 PRO 72 1HD PRO 72 7.458 -9.429 12.290 545 HD3 PRO 72 2HD PRO 72 5.982 -8.632 12.891 546 H LEU 73 H LEU 73 7.220 -4.290 10.115 547 HA LEU 73 HA LEU 73 9.240 -4.938 8.025 548 HB2 LEU 73 1HB LEU 73 6.907 -4.535 7.250 549 HB3 LEU 73 2HB LEU 73 6.942 -2.959 7.943 550 HG LEU 73 HG LEU 73 8.994 -3.752 5.844 551 HD11 LEU 73 1HD1 LEU 73 7.532 -2.568 4.187 552 HD12 LEU 73 2HD1 LEU 73 6.217 -2.699 5.388 553 HD13 LEU 73 3HD1 LEU 73 6.959 -4.148 4.698 554 HD21 LEU 73 3HD2 LEU 73 9.757 -1.833 6.375 555 HD22 LEU 73 1HD2 LEU 73 8.431 -1.389 7.410 556 HD23 LEU 73 2HD2 LEU 73 8.328 -1.039 5.678 557 HA PRO 74 HA PRO 74 11.471 -1.922 10.450 558 HB2 PRO 74 1HB PRO 74 13.738 -1.606 8.955 559 HB3 PRO 74 2HB PRO 74 13.314 -3.120 9.756 560 HG2 PRO 74 1HG PRO 74 12.870 -2.435 6.865 561 HG3 PRO 74 2HG PRO 74 13.597 -3.915 7.559 562 HD2 PRO 74 1HD PRO 74 10.965 -3.760 6.824 563 HD3 PRO 74 2HD PRO 74 11.507 -4.742 8.203 564 HA PRO 75 HA PRO 75 10.723 2.243 8.953 565 HB2 PRO 75 1HB PRO 75 12.973 3.665 9.689 566 HB3 PRO 75 2HB PRO 75 11.733 3.066 10.832 567 HG2 PRO 75 1HG PRO 75 14.336 1.696 10.080 568 HG3 PRO 75 2HG PRO 75 13.716 2.110 11.739 569 HD2 PRO 75 1HD PRO 75 13.359 -0.339 10.742 570 HD3 PRO 75 2HD PRO 75 11.993 0.467 11.574 571 H GLU 76 H GLU 76 13.376 0.489 7.730 572 HA GLU 76 HA GLU 76 13.833 2.347 5.457 573 HB2 GLU 76 1HB GLU 76 15.839 0.961 5.077 574 HB3 GLU 76 2HB GLU 76 15.776 1.665 6.693 575 HG2 GLU 76 1HG GLU 76 16.185 -0.367 7.526 576 HG3 GLU 76 2HG GLU 76 14.546 -0.809 7.110 577 H GLY 77 H GLY 77 12.060 -0.571 6.246 578 HA2 GLY 77 1HA GLY 77 12.283 -1.854 3.688 579 HA3 GLY 77 2HA GLY 77 11.150 -2.247 4.938 580 H LEU 78 H LEU 78 10.107 0.635 4.959 581 HA LEU 78 HA LEU 78 8.065 0.742 2.996 582 HB2 LEU 78 1HB LEU 78 8.040 2.268 4.840 583 HB3 LEU 78 2HB LEU 78 9.667 2.841 4.512 584 HG LEU 78 HG LEU 78 8.843 4.013 2.493 585 HD11 LEU 78 1HD1 LEU 78 6.869 2.609 1.925 586 HD12 LEU 78 2HD1 LEU 78 6.385 4.292 2.167 587 HD13 LEU 78 3HD1 LEU 78 6.077 3.095 3.440 588 HD21 LEU 78 3HD2 LEU 78 7.628 5.774 3.732 589 HD22 LEU 78 1HD2 LEU 78 8.980 5.136 4.690 590 HD23 LEU 78 2HD2 LEU 78 7.327 4.638 5.065 591 H ASN 79 H ASN 79 11.370 2.043 3.013 592 HA ASN 79 HA ASN 79 11.117 3.414 0.591 593 HB2 ASN 79 1HB ASN 79 13.687 2.561 1.962 594 HB3 ASN 79 2HB ASN 79 13.480 3.890 0.824 595 HD21 ASN 79 1HD2 ASN 79 12.075 5.777 1.606 596 HD22 ASN 79 2HD2 ASN 79 11.987 5.953 3.363 597 H ASP 80 H ASP 80 11.830 -0.015 1.121 598 HA ASP 80 HA ASP 80 13.004 -0.445 -1.507 599 HB2 ASP 80 1HB ASP 80 13.227 -2.141 0.285 600 HB3 ASP 80 2HB ASP 80 11.478 -2.424 0.225 601 H LEU 81 H LEU 81 9.677 -0.552 -0.190 602 HA LEU 81 HA LEU 81 8.426 -1.399 -2.660 603 HB2 LEU 81 1HB LEU 81 7.415 0.036 -0.160 604 HB3 LEU 81 2HB LEU 81 6.444 -0.030 -1.591 605 HG LEU 81 HG LEU 81 5.664 -1.696 -0.181 606 HD11 LEU 81 1HD1 LEU 81 5.703 -3.642 -1.559 607 HD12 LEU 81 2HD1 LEU 81 7.277 -3.222 -2.269 608 HD13 LEU 81 3HD1 LEU 81 5.828 -2.257 -2.641 609 HD21 LEU 81 3HD2 LEU 81 8.462 -2.845 -0.093 610 HD22 LEU 81 1HD2 LEU 81 7.018 -3.496 0.736 611 HD23 LEU 81 2HD2 LEU 81 7.675 -1.914 1.198 612 H ILE 82 H ILE 82 8.864 1.803 -1.127 613 HA ILE 82 HA ILE 82 7.792 3.317 -3.260 614 HB ILE 82 HB ILE 82 9.742 3.979 -1.055 615 HG12 ILE 82 1HG1 ILE 82 7.314 3.316 -0.536 616 HG13 ILE 82 2HG1 ILE 82 7.913 4.801 0.152 617 HG21 ILE 82 1HG2 ILE 82 8.511 5.891 -3.076 618 HG22 ILE 82 2HG2 ILE 82 9.174 6.410 -1.519 619 HG23 ILE 82 3HG2 ILE 82 10.227 5.633 -2.707 620 HD11 ILE 82 3HD1 ILE 82 5.558 4.903 -0.776 621 HD12 ILE 82 1HD1 ILE 82 6.655 6.157 -1.372 622 HD13 ILE 82 2HD1 ILE 82 6.256 4.775 -2.403 623 H ARG 83 H ARG 83 11.183 2.060 -2.892 624 HA ARG 83 HA ARG 83 12.354 3.467 -4.915 625 HB2 ARG 83 1HB ARG 83 12.933 1.092 -3.370 626 HB3 ARG 83 2HB ARG 83 13.148 0.658 -5.055 627 HG2 ARG 83 1HG ARG 83 14.457 2.756 -5.357 628 HG3 ARG 83 2HG ARG 83 14.405 3.035 -3.620 629 HD2 ARG 83 1HD ARG 83 15.691 1.035 -3.166 630 HD3 ARG 83 2HD ARG 83 15.512 0.486 -4.841 631 HE ARG 83 HE ARG 83 16.837 3.082 -4.361 632 HH11 ARG 83 1HH1 ARG 83 17.377 -0.359 -5.126 633 HH12 ARG 83 2HH1 ARG 83 18.610 -0.011 -6.319 634 HH21 ARG 83 1HH2 ARG 83 18.695 3.469 -5.661 635 HH22 ARG 83 2HH2 ARG 83 19.519 2.115 -6.387 636 H ALA 84 H ALA 84 10.011 0.810 -5.279 637 HA ALA 84 HA ALA 84 10.451 0.446 -8.113 638 HB1 ALA 84 1HB ALA 84 9.300 -1.198 -6.554 639 HB2 ALA 84 2HB ALA 84 7.906 -0.084 -6.487 640 HB3 ALA 84 3HB ALA 84 8.394 -0.838 -8.012 641 H HIS 85 H HIS 85 7.783 2.121 -6.419 642 HA HIS 85 HA HIS 85 6.715 3.325 -8.642 643 HB2 HIS 85 1HB HIS 85 5.507 3.211 -6.646 644 HB3 HIS 85 2HB HIS 85 6.695 4.112 -5.718 645 HD1 HIS 85 1HD HIS 85 3.366 4.734 -7.443 646 HD2 HIS 85 2HD HIS 85 6.915 6.843 -6.500 647 HE1 HIS 85 1HE HIS 85 2.816 7.166 -7.529 648 H CYS 86 H CYS 86 9.351 4.573 -6.637 649 HA CYS 86 HA CYS 86 9.546 7.119 -8.113 650 HB2 CYS 86 1HB CYS 86 11.594 5.505 -6.429 651 HB3 CYS 86 2HB CYS 86 11.877 7.151 -7.016 652 HG CYS 86 HG CYS 86 11.286 6.932 -4.370 653 H ALA 87 H ALA 87 11.453 3.999 -8.367 654 HA ALA 87 HA ALA 87 13.155 5.163 -10.351 655 HB1 ALA 87 1HB ALA 87 13.929 2.813 -10.655 656 HB2 ALA 87 2HB ALA 87 13.846 3.247 -8.931 657 HB3 ALA 87 3HB ALA 87 12.577 2.233 -9.681 658 H THR 88 H THR 88 10.022 3.533 -10.547 659 HA THR 88 HA THR 88 10.283 2.987 -13.356 660 HB THR 88 HB THR 88 8.910 1.772 -11.593 661 HG1 THR 88 1HG THR 88 7.431 2.421 -13.887 662 HG21 THR 88 3HG2 THR 88 6.817 3.875 -12.288 663 HG22 THR 88 1HG2 THR 88 7.658 3.726 -10.735 664 HG23 THR 88 2HG2 THR 88 6.575 2.450 -11.282 665 H LEU 89 H LEU 89 9.690 5.929 -11.592 666 HA LEU 89 HA LEU 89 8.335 7.164 -13.957 667 HB2 LEU 89 1HB LEU 89 8.211 7.937 -11.004 668 HB3 LEU 89 2HB LEU 89 7.480 8.832 -12.336 669 HG LEU 89 HG LEU 89 6.821 6.005 -11.477 670 HD11 LEU 89 1HD1 LEU 89 4.495 7.064 -11.066 671 HD12 LEU 89 2HD1 LEU 89 5.339 8.615 -11.152 672 HD13 LEU 89 3HD1 LEU 89 5.803 7.401 -9.930 673 HD21 LEU 89 3HD2 LEU 89 6.463 6.149 -13.927 674 HD22 LEU 89 1HD2 LEU 89 5.538 7.647 -13.714 675 HD23 LEU 89 2HD2 LEU 89 4.919 6.102 -13.107 676 H GLY 90 H GLY 90 10.619 7.925 -11.306 677 HA2 GLY 90 1HA GLY 90 12.706 9.046 -12.529 678 HA3 GLY 90 2HA GLY 90 11.496 10.286 -12.834 679 H HIS 91 H HIS 91 10.899 8.790 -9.781 680 HA HIS 91 HA HIS 91 11.064 11.468 -8.739 681 HB2 HIS 91 1HB HIS 91 10.421 8.921 -7.244 682 HB3 HIS 91 2HB HIS 91 10.017 10.549 -6.757 683 HD1 HIS 91 1HD HIS 91 7.556 8.670 -6.955 684 HD2 HIS 91 2HD HIS 91 9.110 11.117 -9.955 685 HE1 HIS 91 1HE HIS 91 5.670 9.128 -8.576 686 H CYS 92 H CYS 92 12.371 12.362 -7.110 687 HA CYS 92 HA CYS 92 14.642 10.761 -6.133 688 HB2 CYS 92 1HB CYS 92 15.230 11.855 -8.296 689 HB3 CYS 92 2HB CYS 92 14.909 13.424 -7.554 690 HG CYS 92 HG CYS 92 16.994 11.063 -6.458 691 H CYS 93 H CYS 93 13.159 10.853 -4.295 692 HA CYS 93 HA CYS 93 12.596 11.512 -2.203 693 HB2 CYS 93 1HB CYS 93 15.189 13.045 -2.635 694 HB3 CYS 93 2HB CYS 93 14.450 12.834 -1.058 695 HG CYS 93 HG CYS 93 15.054 10.386 -3.181 696 H THR 94 H THR 94 12.443 13.444 -0.611 697 HA THR 94 HA THR 94 11.459 15.954 -1.585 698 HB THR 94 HB THR 94 9.578 14.635 -2.259 699 HG1 THR 94 1HG THR 94 8.151 15.930 -1.444 700 HG21 THR 94 3HG2 THR 94 8.149 13.484 -0.509 701 HG22 THR 94 1HG2 THR 94 9.523 13.525 0.578 702 HG23 THR 94 2HG2 THR 94 9.661 12.659 -0.959 703 H SER 95 H SER 95 13.485 15.856 -0.076 704 HA SER 95 HA SER 95 14.372 16.665 1.838 705 HB2 SER 95 1HB SER 95 12.146 18.048 1.690 706 HB3 SER 95 2HB SER 95 11.643 17.070 3.074 707 HG SER 95 HG SER 95 12.575 19.088 3.576 708 H LYS 96 H LYS 96 15.072 15.855 3.871 709 HA LYS 96 HA LYS 96 15.386 14.436 5.596 710 HB2 LYS 96 1HB LYS 96 12.697 14.619 5.732 711 HB3 LYS 96 2HB LYS 96 12.797 12.930 5.271 712 HG2 LYS 96 1HG LYS 96 13.343 12.332 7.363 713 HG3 LYS 96 2HG LYS 96 14.727 13.438 7.392 714 HD2 LYS 96 1HD LYS 96 13.360 14.155 9.180 715 HD3 LYS 96 2HD LYS 96 13.030 15.314 7.895 716 HE2 LYS 96 1HE LYS 96 11.029 13.958 7.225 717 HE3 LYS 96 2HE LYS 96 11.400 12.819 8.534 718 HZ1 LYS 96 3HZ LYS 96 10.944 14.518 10.125 719 HZ2 LYS 96 1HZ LYS 96 9.671 14.458 9.055 720 HZ3 LYS 96 2HZ LYS 96 10.768 15.672 8.986 721 H MET 97 H MET 97 15.144 11.792 5.972 722 HA MET 97 HA MET 97 16.701 10.582 3.828 723 HB2 MET 97 1HB MET 97 17.320 10.164 6.119 724 HB3 MET 97 2HB MET 97 15.680 9.670 6.544 725 HG2 MET 97 1HG MET 97 17.217 7.801 6.427 726 HG3 MET 97 2HG MET 97 15.891 7.603 5.316 727 HE1 MET 97 3HE MET 97 16.023 7.092 3.022 728 HE2 MET 97 1HE MET 97 16.663 8.607 2.351 729 HE3 MET 97 2HE MET 97 17.453 7.089 1.969 730 H HIS 98 H HIS 98 15.179 10.680 2.098 731 HA HIS 98 HA HIS 98 13.549 10.080 0.725 732 HB2 HIS 98 1HB HIS 98 14.064 7.530 2.151 733 HB3 HIS 98 2HB HIS 98 12.526 7.685 1.334 734 HD1 HIS 98 1HD HIS 98 15.949 6.655 0.440 735 HD2 HIS 98 2HD HIS 98 12.562 8.465 -1.303 736 HE1 HIS 98 1HE HIS 98 16.155 6.319 -2.066 737 H LEU 99 H LEU 99 12.219 8.603 3.709 738 HA LEU 99 HA LEU 99 9.878 10.409 3.661 739 HB2 LEU 99 1HB LEU 99 9.735 7.379 3.295 740 HB3 LEU 99 2HB LEU 99 8.349 8.404 3.676 741 HG LEU 99 HG LEU 99 10.035 8.707 1.138 742 HD11 LEU 99 1HD1 LEU 99 8.099 7.612 0.042 743 HD12 LEU 99 2HD1 LEU 99 7.515 7.167 1.659 744 HD13 LEU 99 3HD1 LEU 99 9.087 6.576 1.110 745 HD21 LEU 99 3HD2 LEU 99 7.390 9.923 2.048 746 HD22 LEU 99 1HD2 LEU 99 7.980 9.989 0.375 747 HD23 LEU 99 2HD2 LEU 99 8.868 10.793 1.670 748 H HIS 100 H HIS 100 9.262 10.789 5.678 749 HA HIS 100 HA HIS 100 10.689 9.742 7.896 750 HB2 HIS 100 1HB HIS 100 9.691 11.969 7.819 751 HB3 HIS 100 2HB HIS 100 8.082 11.289 7.730 752 HD1 HIS 100 1HD HIS 100 6.865 10.983 9.956 753 HD2 HIS 100 2HD HIS 100 11.052 11.386 10.331 754 HE1 HIS 100 1HE HIS 100 7.344 11.161 12.455 755 H SER 101 H SER 101 7.518 8.993 6.539 756 HA SER 101 HA SER 101 7.218 6.455 7.770 757 HB2 SER 101 1HB SER 101 6.719 8.504 9.585 758 HB3 SER 101 2HB SER 101 5.107 8.174 8.963 759 HG SER 101 HG SER 101 5.895 6.953 10.835 760 H VAL 102 H VAL 102 4.569 5.928 7.606 761 HA VAL 102 HA VAL 102 4.148 5.860 4.821 762 HB VAL 102 HB VAL 102 2.026 5.472 6.964 763 HG11 VAL 102 1HG1 VAL 102 1.041 3.865 5.389 764 HG12 VAL 102 2HG1 VAL 102 1.169 5.454 4.624 765 HG13 VAL 102 3HG1 VAL 102 2.341 4.186 4.224 766 HG21 VAL 102 3HG2 VAL 102 3.857 4.109 7.707 767 HG22 VAL 102 1HG2 VAL 102 2.740 3.031 6.886 768 HG23 VAL 102 2HG2 VAL 102 4.204 3.571 6.048 769 H MET 103 H MET 103 2.782 8.047 7.299 770 HA MET 103 HA MET 103 0.862 9.392 5.743 771 HB2 MET 103 1HB MET 103 1.291 9.621 8.237 772 HB3 MET 103 2HB MET 103 2.718 10.571 7.852 773 HG2 MET 103 1HG MET 103 1.341 12.301 8.163 774 HG3 MET 103 2HG MET 103 0.884 12.033 6.489 775 HE1 MET 103 3HE MET 103 -2.670 10.461 6.777 776 HE2 MET 103 1HE MET 103 -1.379 11.063 5.710 777 HE3 MET 103 2HE MET 103 -1.177 9.517 6.576 778 H ASP 104 H ASP 104 4.353 9.932 6.024 779 HA ASP 104 HA ASP 104 4.511 12.327 4.480 780 HB2 ASP 104 1HB ASP 104 6.178 11.058 6.160 781 HB3 ASP 104 2HB ASP 104 6.782 10.312 4.689 782 H ALA 105 H ALA 105 4.826 8.902 3.746 783 HA ALA 105 HA ALA 105 5.641 9.087 1.010 784 HB1 ALA 105 1HB ALA 105 5.566 7.004 2.614 785 HB2 ALA 105 2HB ALA 105 3.869 6.877 2.179 786 HB3 ALA 105 3HB ALA 105 5.093 6.744 0.914 787 H ILE 106 H ILE 106 2.372 8.802 2.465 788 HA ILE 106 HA ILE 106 1.076 8.622 -0.096 789 HB ILE 106 HB ILE 106 0.007 9.420 2.636 790 HG12 ILE 106 1HG1 ILE 106 1.098 7.114 2.472 791 HG13 ILE 106 2HG1 ILE 106 -0.537 7.202 3.028 792 HG21 ILE 106 1HG2 ILE 106 -1.603 10.092 0.940 793 HG22 ILE 106 2HG2 ILE 106 -1.536 8.520 0.161 794 HG23 ILE 106 3HG2 ILE 106 -2.205 8.687 1.805 795 HD11 ILE 106 3HD1 ILE 106 0.376 6.336 0.280 796 HD12 ILE 106 1HD1 ILE 106 -0.154 5.283 1.599 797 HD13 ILE 106 2HD1 ILE 106 -1.327 6.352 0.829 798 H ASP 107 H ASP 107 1.885 11.408 2.072 799 HA ASP 107 HA ASP 107 0.536 13.354 0.487 800 HB2 ASP 107 1HB ASP 107 1.703 13.567 2.838 801 HB3 ASP 107 2HB ASP 107 3.080 14.073 1.882 802 H PHE 108 H PHE 108 3.892 12.180 0.415 803 HA PHE 108 HA PHE 108 4.922 13.681 -1.674 804 HB2 PHE 108 1HB PHE 108 6.247 12.103 -0.247 805 HB3 PHE 108 2HB PHE 108 5.506 10.760 -1.047 806 HD1 PHE 108 2HD PHE 108 6.753 13.816 -2.885 807 HD2 PHE 108 1HD PHE 108 7.372 9.643 -1.940 808 HE1 PHE 108 2HE PHE 108 8.650 13.744 -4.441 809 HE2 PHE 108 1HE PHE 108 9.277 9.585 -3.518 810 HZ PHE 108 HZ PHE 108 9.954 11.655 -4.738 811 H LEU 109 H LEU 109 3.662 10.292 -2.167 812 HA LEU 109 HA LEU 109 3.685 10.266 -4.915 813 HB2 LEU 109 1HB LEU 109 1.937 8.920 -2.797 814 HB3 LEU 109 2HB LEU 109 1.712 8.650 -4.525 815 HG LEU 109 HG LEU 109 4.144 8.092 -4.672 816 HD11 LEU 109 1HD1 LEU 109 5.398 7.169 -2.988 817 HD12 LEU 109 2HD1 LEU 109 4.162 7.523 -1.753 818 HD13 LEU 109 3HD1 LEU 109 5.054 8.841 -2.589 819 HD21 LEU 109 3HD2 LEU 109 2.389 6.243 -2.994 820 HD22 LEU 109 1HD2 LEU 109 3.758 5.726 -4.020 821 HD23 LEU 109 2HD2 LEU 109 2.305 6.402 -4.763 822 H ASN 110 H ASN 110 1.018 11.443 -2.805 823 HA ASN 110 HA ASN 110 -0.634 12.042 -5.121 824 HB2 ASN 110 1HB ASN 110 -0.864 12.741 -2.171 825 HB3 ASN 110 2HB ASN 110 -2.002 13.338 -3.381 826 HD21 ASN 110 1HD2 ASN 110 -1.009 10.423 -1.624 827 HD22 ASN 110 2HD2 ASN 110 -2.321 9.417 -2.279 828 H ALA 111 H ALA 111 1.993 13.781 -3.641 829 HA ALA 111 HA ALA 111 1.122 16.399 -4.680 830 HB1 ALA 111 1HB ALA 111 2.327 16.275 -2.518 831 HB2 ALA 111 2HB ALA 111 3.704 15.497 -3.328 832 HB3 ALA 111 3HB ALA 111 3.254 17.159 -3.730 833 H LEU 112 H LEU 112 3.120 13.636 -5.665 834 HA LEU 112 HA LEU 112 4.488 14.974 -7.799 835 HB2 LEU 112 1HB LEU 112 3.790 12.064 -7.224 836 HB3 LEU 112 2HB LEU 112 4.739 12.548 -8.619 837 HG LEU 112 HG LEU 112 5.581 13.438 -5.838 838 HD11 LEU 112 1HD1 LEU 112 5.567 10.662 -6.735 839 HD12 LEU 112 2HD1 LEU 112 6.002 11.364 -5.170 840 HD13 LEU 112 3HD1 LEU 112 7.218 11.252 -6.485 841 HD21 LEU 112 3HD2 LEU 112 7.140 12.895 -8.381 842 HD22 LEU 112 1HD2 LEU 112 7.777 13.567 -6.849 843 HD23 LEU 112 2HD2 LEU 112 6.599 14.479 -7.802 844 H GLU 113 H GLU 113 1.680 12.725 -7.852 845 HA GLU 113 HA GLU 113 1.196 13.013 -10.587 846 HB2 GLU 113 1HB GLU 113 -0.554 12.110 -8.258 847 HB3 GLU 113 2HB GLU 113 -1.187 12.180 -9.897 848 HG2 GLU 113 1HG GLU 113 1.080 10.798 -10.423 849 HG3 GLU 113 2HG GLU 113 0.842 10.334 -8.732 850 H GLY 114 H GLY 114 -0.636 13.834 -11.819 851 HA2 GLY 114 1HA GLY 114 -2.580 15.535 -10.722 852 HA3 GLY 114 2HA GLY 114 -1.282 16.487 -11.528 Start of MODEL 9 1 H1 MET 1 H MET 1 -22.380 4.079 6.245 2 HA MET 1 HA MET 1 -20.171 3.836 7.094 3 HB2 MET 1 1HB MET 1 -19.731 3.776 9.506 4 HB3 MET 1 2HB MET 1 -20.077 5.363 8.877 5 HG2 MET 1 1HG MET 1 -22.126 3.596 10.312 6 HG3 MET 1 2HG MET 1 -21.077 4.741 11.121 7 HE1 MET 1 3HE MET 1 -22.282 8.201 9.881 8 HE2 MET 1 1HE MET 1 -21.080 7.309 10.846 9 HE3 MET 1 2HE MET 1 -21.046 7.213 9.066 10 H GLY 2 H GLY 2 -19.389 1.756 7.913 11 HA2 GLY 2 1HA GLY 2 -20.575 -0.025 9.516 12 HA3 GLY 2 2HA GLY 2 -21.402 -0.359 7.987 13 H ALA 3 H ALA 3 -18.240 -0.238 9.598 14 HA ALA 3 HA ALA 3 -16.605 -0.719 7.359 15 HB1 ALA 3 1HB ALA 3 -16.150 -1.526 10.260 16 HB2 ALA 3 2HB ALA 3 -14.908 -1.473 8.996 17 HB3 ALA 3 3HB ALA 3 -15.714 0.025 9.507 18 H GLY 4 H GLY 4 -16.166 -2.472 6.139 19 HA2 GLY 4 1HA GLY 4 -15.979 -5.164 7.020 20 HA3 GLY 4 2HA GLY 4 -17.555 -4.901 6.247 21 H GLN 5 H GLN 5 -15.888 -6.621 5.135 22 HA GLN 5 HA GLN 5 -14.802 -7.303 3.330 23 HB2 GLN 5 1HB GLN 5 -16.826 -5.595 2.415 24 HB3 GLN 5 2HB GLN 5 -15.389 -5.044 1.551 25 HG2 GLN 5 1HG GLN 5 -14.974 -7.526 0.990 26 HG3 GLN 5 2HG GLN 5 -16.571 -7.851 1.668 27 HE21 GLN 5 1HE2 GLN 5 -18.120 -5.740 0.652 28 HE22 GLN 5 2HE2 GLN 5 -18.123 -5.797 -1.099 29 H THR 6 H THR 6 -13.521 -5.064 4.998 30 HA THR 6 HA THR 6 -11.412 -3.965 3.391 31 HB THR 6 HB THR 6 -10.361 -3.678 5.756 32 HG1 THR 6 1HG THR 6 -11.637 -4.053 7.440 33 HG21 THR 6 3HG2 THR 6 -11.681 -1.942 4.525 34 HG22 THR 6 1HG2 THR 6 -11.898 -1.842 6.282 35 HG23 THR 6 2HG2 THR 6 -13.169 -2.556 5.265 36 HA PRO 7 HA PRO 7 -8.801 -7.486 3.093 37 HB2 PRO 7 1HB PRO 7 -6.350 -6.449 2.654 38 HB3 PRO 7 2HB PRO 7 -7.703 -6.195 1.512 39 HG2 PRO 7 1HG PRO 7 -6.746 -4.305 3.678 40 HG3 PRO 7 2HG PRO 7 -7.099 -3.948 1.961 41 HD2 PRO 7 1HD PRO 7 -8.906 -3.520 3.974 42 HD3 PRO 7 2HD PRO 7 -9.404 -3.993 2.319 43 H HIS 8 H HIS 8 -9.103 -8.329 5.158 44 HA HIS 8 HA HIS 8 -8.464 -9.316 7.064 45 HB2 HIS 8 1HB HIS 8 -6.007 -8.858 6.116 46 HB3 HIS 8 2HB HIS 8 -5.941 -7.683 7.388 47 HD1 HIS 8 1HD HIS 8 -4.716 -8.764 9.463 48 HD2 HIS 8 2HD HIS 8 -6.965 -11.492 7.148 49 HE1 HIS 8 1HE HIS 8 -4.726 -10.913 10.731 50 HA PRO 9 HA PRO 9 -10.034 -6.177 9.805 51 HB2 PRO 9 1HB PRO 9 -10.200 -7.494 12.190 52 HB3 PRO 9 2HB PRO 9 -11.207 -7.919 10.770 53 HG2 PRO 9 1HG PRO 9 -8.588 -9.217 11.640 54 HG3 PRO 9 2HG PRO 9 -10.135 -10.039 11.268 55 HD2 PRO 9 1HD PRO 9 -8.220 -9.830 9.418 56 HD3 PRO 9 2HD PRO 9 -9.926 -9.620 8.961 57 H GLN 10 H GLN 10 -6.884 -7.593 10.445 58 HA GLN 10 HA GLN 10 -6.310 -5.782 12.698 59 HB2 GLN 10 1HB GLN 10 -4.803 -8.011 11.327 60 HB3 GLN 10 2HB GLN 10 -4.071 -6.999 12.574 61 HG2 GLN 10 1HG GLN 10 -5.947 -7.737 14.117 62 HG3 GLN 10 2HG GLN 10 -6.443 -8.880 12.856 63 HE21 GLN 10 1HE2 GLN 10 -3.854 -8.007 15.146 64 HE22 GLN 10 2HE2 GLN 10 -3.031 -9.557 15.076 65 H LEU 11 H LEU 11 -5.899 -5.679 9.235 66 HA LEU 11 HA LEU 11 -3.619 -3.908 9.110 67 HB2 LEU 11 1HB LEU 11 -4.411 -5.100 7.173 68 HB3 LEU 11 2HB LEU 11 -6.019 -4.417 7.296 69 HG LEU 11 HG LEU 11 -3.801 -2.416 7.030 70 HD11 LEU 11 1HD1 LEU 11 -3.544 -2.764 4.623 71 HD12 LEU 11 2HD1 LEU 11 -4.587 -4.221 4.729 72 HD13 LEU 11 3HD1 LEU 11 -3.015 -4.173 5.528 73 HD21 LEU 11 3HD2 LEU 11 -5.408 -1.314 5.522 74 HD22 LEU 11 1HD2 LEU 11 -6.218 -1.739 7.023 75 HD23 LEU 11 2HD2 LEU 11 -6.478 -2.736 5.588 76 H ILE 12 H ILE 12 -3.548 -1.612 9.197 77 HA ILE 12 HA ILE 12 -6.063 -0.211 9.963 78 HB ILE 12 HB ILE 12 -3.308 0.415 11.053 79 HG12 ILE 12 1HG1 ILE 12 -3.936 -1.763 11.951 80 HG13 ILE 12 2HG1 ILE 12 -3.866 -0.522 13.182 81 HG21 ILE 12 1HG2 ILE 12 -4.702 2.353 11.078 82 HG22 ILE 12 2HG2 ILE 12 -6.099 1.445 11.689 83 HG23 ILE 12 3HG2 ILE 12 -4.697 1.732 12.728 84 HD11 ILE 12 3HD1 ILE 12 -5.779 -2.135 13.418 85 HD12 ILE 12 1HD1 ILE 12 -6.258 -0.432 13.385 86 HD13 ILE 12 2HD1 ILE 12 -6.496 -1.452 11.951 87 H TRP 13 H TRP 13 -6.400 1.731 8.914 88 HA TRP 13 HA TRP 13 -4.769 2.163 6.572 89 HB2 TRP 13 1HB TRP 13 -7.069 3.814 7.635 90 HB3 TRP 13 2HB TRP 13 -6.405 3.887 6.034 91 HD1 TRP 13 HD TRP 13 -8.948 2.151 8.018 92 HE1 TRP 13 1HE TRP 13 -10.092 0.282 6.776 93 HE3 TRP 13 3HE TRP 13 -5.895 2.046 3.930 94 HZ2 TRP 13 2HZ TRP 13 -9.590 -1.277 4.341 95 HZ3 TRP 13 3HZ TRP 13 -6.283 0.364 2.142 96 HH2 TRP 13 HH TRP 13 -8.093 -1.319 2.357 97 HA PRO 14 HA PRO 14 -4.561 4.025 5.104 98 HB2 PRO 14 1HB PRO 14 -2.256 4.923 4.063 99 HB3 PRO 14 2HB PRO 14 -3.578 6.013 4.493 100 HG2 PRO 14 1HG PRO 14 -1.162 5.352 6.148 101 HG3 PRO 14 2HG PRO 14 -1.814 6.979 5.762 102 HD2 PRO 14 1HD PRO 14 -2.500 5.853 8.116 103 HD3 PRO 14 2HD PRO 14 -3.771 6.607 7.115 104 H ALA 15 H ALA 15 -3.465 2.765 3.462 105 HA ALA 15 HA ALA 15 -1.338 0.925 4.359 106 HB1 ALA 15 1HB ALA 15 -2.586 -0.978 3.346 107 HB2 ALA 15 2HB ALA 15 -3.464 -0.267 4.720 108 HB3 ALA 15 3HB ALA 15 -3.964 0.094 3.047 109 H LEU 16 H LEU 16 -0.571 -0.336 2.356 110 HA LEU 16 HA LEU 16 -0.612 1.260 -0.157 111 HB2 LEU 16 1HB LEU 16 1.723 0.744 1.683 112 HB3 LEU 16 2HB LEU 16 2.016 0.674 -0.055 113 HG LEU 16 HG LEU 16 0.599 3.084 1.111 114 HD11 LEU 16 1HD1 LEU 16 2.666 2.866 2.425 115 HD12 LEU 16 2HD1 LEU 16 2.792 4.222 1.293 116 HD13 LEU 16 3HD1 LEU 16 3.620 2.683 0.945 117 HD21 LEU 16 3HD2 LEU 16 1.401 4.222 -0.818 118 HD22 LEU 16 1HD2 LEU 16 0.757 2.675 -1.402 119 HD23 LEU 16 2HD2 LEU 16 2.509 2.911 -1.231 120 H LEU 17 H LEU 17 -1.326 -0.161 -1.586 121 HA LEU 17 HA LEU 17 -0.567 -3.035 -1.502 122 HB2 LEU 17 1HB LEU 17 -2.945 -2.301 -1.954 123 HB3 LEU 17 2HB LEU 17 -2.357 -1.424 -3.328 124 HG LEU 17 HG LEU 17 -1.447 -3.869 -4.074 125 HD11 LEU 17 1HD1 LEU 17 -2.246 -5.012 -2.044 126 HD12 LEU 17 2HD1 LEU 17 -3.144 -5.564 -3.460 127 HD13 LEU 17 3HD1 LEU 17 -3.902 -4.425 -2.334 128 HD21 LEU 17 3HD2 LEU 17 -3.606 -4.091 -5.328 129 HD22 LEU 17 1HD2 LEU 17 -2.884 -2.476 -5.429 130 HD23 LEU 17 2HD2 LEU 17 -4.265 -2.764 -4.351 131 H LYS 18 H LYS 18 0.721 -3.888 -3.363 132 HA LYS 18 HA LYS 18 1.630 -1.901 -5.317 133 HB2 LYS 18 1HB LYS 18 3.334 -2.195 -3.225 134 HB3 LYS 18 2HB LYS 18 3.851 -3.584 -4.176 135 HG2 LYS 18 1HG LYS 18 3.692 -0.782 -5.258 136 HG3 LYS 18 2HG LYS 18 5.146 -1.515 -4.613 137 HD2 LYS 18 1HD LYS 18 3.582 -2.363 -7.090 138 HD3 LYS 18 2HD LYS 18 5.156 -1.594 -7.032 139 HE2 LYS 18 1HE LYS 18 4.506 -4.408 -6.050 140 HE3 LYS 18 2HE LYS 18 5.339 -3.938 -7.509 141 HZ1 LYS 18 3HZ LYS 18 7.131 -4.213 -6.363 142 HZ2 LYS 18 1HZ LYS 18 6.380 -4.094 -4.879 143 HZ3 LYS 18 2HZ LYS 18 6.855 -2.741 -5.736 144 H GLN 19 H GLN 19 0.452 -2.980 -6.822 145 HA GLN 19 HA GLN 19 -0.297 -5.598 -6.786 146 HB2 GLN 19 1HB GLN 19 0.091 -3.629 -9.046 147 HB3 GLN 19 2HB GLN 19 -0.441 -5.258 -9.400 148 HG2 GLN 19 1HG GLN 19 -2.040 -4.202 -7.220 149 HG3 GLN 19 2HG GLN 19 -2.004 -3.032 -8.533 150 HE21 GLN 19 1HE2 GLN 19 -3.359 -5.967 -7.423 151 HE22 GLN 19 2HE2 GLN 19 -4.442 -6.157 -8.761 152 H GLN 20 H GLN 20 0.502 -7.590 -7.432 153 HA GLN 20 HA GLN 20 3.283 -7.765 -7.520 154 HB2 GLN 20 1HB GLN 20 1.508 -9.490 -6.706 155 HB3 GLN 20 2HB GLN 20 1.485 -10.064 -8.369 156 HG2 GLN 20 1HG GLN 20 4.016 -10.218 -8.234 157 HG3 GLN 20 2HG GLN 20 3.883 -9.759 -6.527 158 HE21 GLN 20 1HE2 GLN 20 4.131 -11.543 -5.217 159 HE22 GLN 20 2HE2 GLN 20 3.542 -13.153 -5.599 160 H GLY 21 H GLY 21 4.092 -6.562 -9.182 161 HA2 GLY 21 1HA GLY 21 5.296 -7.558 -11.321 162 HA3 GLY 21 2HA GLY 21 3.646 -7.383 -11.980 163 H CYS 22 H CYS 22 2.900 -5.049 -10.421 164 HA CYS 22 HA CYS 22 3.960 -3.052 -12.191 165 HB2 CYS 22 1HB CYS 22 2.272 -2.775 -9.654 166 HB3 CYS 22 2HB CYS 22 2.504 -1.544 -10.887 167 HG CYS 22 HG CYS 22 0.129 -2.387 -11.244 168 H ASN 23 H ASN 23 4.695 -0.951 -11.159 169 HA ASN 23 HA ASN 23 6.685 -1.502 -8.982 170 HB2 ASN 23 1HB ASN 23 7.058 0.568 -11.212 171 HB3 ASN 23 2HB ASN 23 8.220 0.115 -10.060 172 HD21 ASN 23 1HD2 ASN 23 6.521 -0.987 -12.973 173 HD22 ASN 23 2HD2 ASN 23 7.504 -2.392 -13.248 174 H GLU 24 H GLU 24 4.298 0.663 -10.425 175 HA GLU 24 HA GLU 24 4.435 2.821 -8.565 176 HB2 GLU 24 1HB GLU 24 3.321 2.681 -10.874 177 HB3 GLU 24 2HB GLU 24 2.110 1.614 -10.141 178 HG2 GLU 24 1HG GLU 24 1.847 3.697 -8.458 179 HG3 GLU 24 2HG GLU 24 2.526 4.577 -9.801 180 H LEU 25 H LEU 25 3.438 3.024 -6.592 181 HA LEU 25 HA LEU 25 2.227 0.675 -5.273 182 HB2 LEU 25 1HB LEU 25 3.117 3.431 -4.367 183 HB3 LEU 25 2HB LEU 25 2.231 2.306 -3.340 184 HG LEU 25 HG LEU 25 4.637 1.103 -4.637 185 HD11 LEU 25 1HD1 LEU 25 5.462 3.329 -4.280 186 HD12 LEU 25 2HD1 LEU 25 6.239 2.169 -3.187 187 HD13 LEU 25 3HD1 LEU 25 4.974 3.268 -2.564 188 HD21 LEU 25 3HD2 LEU 25 4.883 -0.004 -2.541 189 HD22 LEU 25 1HD2 LEU 25 3.138 0.068 -2.812 190 HD23 LEU 25 2HD2 LEU 25 3.905 1.188 -1.686 191 H LEU 26 H LEU 26 0.192 0.864 -4.364 192 HA LEU 26 HA LEU 26 -1.602 2.903 -5.524 193 HB2 LEU 26 1HB LEU 26 -1.889 0.514 -6.221 194 HB3 LEU 26 2HB LEU 26 -2.284 0.199 -4.553 195 HG LEU 26 HG LEU 26 -4.217 0.318 -6.060 196 HD11 LEU 26 1HD1 LEU 26 -4.339 2.457 -3.917 197 HD12 LEU 26 2HD1 LEU 26 -4.493 0.697 -3.656 198 HD13 LEU 26 3HD1 LEU 26 -5.692 1.569 -4.621 199 HD21 LEU 26 3HD2 LEU 26 -3.480 2.130 -7.551 200 HD22 LEU 26 1HD2 LEU 26 -3.689 3.307 -6.232 201 HD23 LEU 26 2HD2 LEU 26 -5.088 2.430 -6.877 202 HA PRO 27 HA PRO 27 -1.171 3.852 -0.923 203 HB2 PRO 27 1HB PRO 27 -1.830 6.493 -1.194 204 HB3 PRO 27 2HB PRO 27 -0.181 5.896 -1.531 205 HG2 PRO 27 1HG PRO 27 -2.413 6.470 -3.484 206 HG3 PRO 27 2HG PRO 27 -0.697 6.952 -3.604 207 HD2 PRO 27 1HD PRO 27 -1.755 4.728 -4.864 208 HD3 PRO 27 2HD PRO 27 -0.061 4.793 -4.280 209 H LEU 28 H LEU 28 -2.831 3.755 0.478 210 HA LEU 28 HA LEU 28 -5.592 4.241 -0.512 211 HB2 LEU 28 1HB LEU 28 -4.525 1.898 1.096 212 HB3 LEU 28 2HB LEU 28 -6.230 2.275 0.919 213 HG LEU 28 HG LEU 28 -4.588 2.001 -1.603 214 HD11 LEU 28 1HD1 LEU 28 -5.078 -0.455 -1.601 215 HD12 LEU 28 2HD1 LEU 28 -5.377 -0.322 0.149 216 HD13 LEU 28 3HD1 LEU 28 -3.785 0.103 -0.520 217 HD21 LEU 28 3HD2 LEU 28 -6.927 2.713 -1.726 218 HD22 LEU 28 1HD2 LEU 28 -7.425 1.245 -0.835 219 HD23 LEU 28 2HD2 LEU 28 -6.719 1.138 -2.459 220 H ARG 29 H ARG 29 -5.836 6.156 0.482 221 HA ARG 29 HA ARG 29 -4.789 7.022 2.967 222 HB2 ARG 29 1HB ARG 29 -7.336 7.723 1.440 223 HB3 ARG 29 2HB ARG 29 -6.844 8.590 2.899 224 HG2 ARG 29 1HG ARG 29 -4.982 9.567 1.887 225 HG3 ARG 29 2HG ARG 29 -4.886 8.369 0.612 226 HD2 ARG 29 1HD ARG 29 -6.317 9.458 -0.725 227 HD3 ARG 29 2HD ARG 29 -7.446 9.839 0.574 228 HE ARG 29 HE ARG 29 -5.483 11.548 -0.584 229 HH11 ARG 29 1HH1 ARG 29 -7.090 10.910 2.591 230 HH12 ARG 29 2HH1 ARG 29 -6.792 12.531 3.130 231 HH21 ARG 29 1HH2 ARG 29 -5.519 13.749 0.117 232 HH22 ARG 29 2HH2 ARG 29 -6.274 14.164 1.623 233 H THR 30 H THR 30 -7.839 5.295 2.256 234 HA THR 30 HA THR 30 -8.160 4.447 4.997 235 HB THR 30 HB THR 30 -8.981 6.704 5.256 236 HG1 THR 30 1HG THR 30 -11.181 6.282 5.738 237 HG21 THR 30 3HG2 THR 30 -10.691 6.117 2.809 238 HG22 THR 30 1HG2 THR 30 -9.454 7.386 2.993 239 HG23 THR 30 2HG2 THR 30 -10.958 7.505 3.899 240 H ASN 31 H ASN 31 -10.480 3.427 5.034 241 HA ASN 31 HA ASN 31 -10.657 1.325 3.076 242 HB2 ASN 31 1HB ASN 31 -11.609 0.930 5.215 243 HB3 ASN 31 2HB ASN 31 -12.529 2.419 5.189 244 HD21 ASN 31 1HD2 ASN 31 -12.211 -0.438 2.954 245 HD22 ASN 31 2HD2 ASN 31 -13.905 -0.757 2.854 246 H ASP 32 H ASP 32 -12.231 4.573 3.267 247 HA ASP 32 HA ASP 32 -14.050 4.133 1.108 248 HB2 ASP 32 1HB ASP 32 -12.721 6.733 1.989 249 HB3 ASP 32 2HB ASP 32 -14.057 6.601 0.852 250 H ASP 33 H ASP 33 -10.596 4.359 1.040 251 HA ASP 33 HA ASP 33 -10.351 5.226 -1.759 252 HB2 ASP 33 1HB ASP 33 -8.727 5.546 0.349 253 HB3 ASP 33 2HB ASP 33 -8.126 3.973 -0.137 254 H TRP 34 H TRP 34 -9.935 2.346 0.271 255 HA TRP 34 HA TRP 34 -9.384 0.370 -1.655 256 HB2 TRP 34 1HB TRP 34 -9.122 0.139 0.764 257 HB3 TRP 34 2HB TRP 34 -10.863 0.170 1.006 258 HD1 TRP 34 HD TRP 34 -12.255 -1.995 0.455 259 HE1 TRP 34 1HE TRP 34 -11.644 -4.413 -0.161 260 HE3 TRP 34 3HE TRP 34 -7.202 -1.474 0.020 261 HZ2 TRP 34 2HZ TRP 34 -9.374 -5.734 -1.306 262 HZ3 TRP 34 3HZ TRP 34 -5.811 -3.331 -0.821 263 HH2 TRP 34 HH TRP 34 -6.853 -5.464 -1.532 264 H GLN 35 H GLN 35 -12.570 1.729 -0.679 265 HA GLN 35 HA GLN 35 -14.129 -0.110 -2.277 266 HB2 GLN 35 1HB GLN 35 -14.690 2.779 -1.490 267 HB3 GLN 35 2HB GLN 35 -15.880 1.647 -2.130 268 HG2 GLN 35 1HG GLN 35 -14.381 1.256 0.493 269 HG3 GLN 35 2HG GLN 35 -15.947 1.975 0.344 270 HE21 GLN 35 1HE2 GLN 35 -17.242 0.465 1.346 271 HE22 GLN 35 2HE2 GLN 35 -17.331 -1.234 0.964 272 H ARG 36 H ARG 36 -12.743 3.103 -3.036 273 HA ARG 36 HA ARG 36 -13.883 3.222 -5.639 274 HB2 ARG 36 1HB ARG 36 -11.531 4.616 -4.340 275 HB3 ARG 36 2HB ARG 36 -11.979 4.927 -6.020 276 HG2 ARG 36 1HG ARG 36 -14.103 5.788 -5.476 277 HG3 ARG 36 2HG ARG 36 -14.119 5.036 -3.879 278 HD2 ARG 36 1HD ARG 36 -13.773 7.394 -3.579 279 HD3 ARG 36 2HD ARG 36 -12.324 6.496 -3.121 280 HE ARG 36 HE ARG 36 -11.115 7.606 -4.631 281 HH11 ARG 36 1HH1 ARG 36 -14.520 8.233 -5.546 282 HH12 ARG 36 2HH1 ARG 36 -14.041 9.089 -6.992 283 HH21 ARG 36 1HH2 ARG 36 -10.573 8.822 -6.423 284 HH22 ARG 36 2HH2 ARG 36 -11.793 9.542 -7.418 285 H PHE 37 H PHE 37 -10.871 1.686 -4.548 286 HA PHE 37 HA PHE 37 -9.601 1.145 -6.958 287 HB2 PHE 37 1HB PHE 37 -8.782 0.503 -4.697 288 HB3 PHE 37 2HB PHE 37 -10.017 -0.747 -4.601 289 HD1 PHE 37 2HD PHE 37 -9.859 -2.834 -5.962 290 HD2 PHE 37 1HD PHE 37 -6.762 0.168 -6.017 291 HE1 PHE 37 2HE PHE 37 -8.309 -4.436 -7.066 292 HE2 PHE 37 1HE PHE 37 -5.210 -1.466 -7.060 293 HZ PHE 37 HZ PHE 37 -5.987 -3.769 -7.596 294 H CYS 38 H CYS 38 -12.078 -0.975 -5.414 295 HA CYS 38 HA CYS 38 -12.134 -2.668 -7.747 296 HB2 CYS 38 1HB CYS 38 -13.787 -3.947 -6.596 297 HB3 CYS 38 2HB CYS 38 -12.583 -3.443 -5.410 298 HG CYS 38 HG CYS 38 -14.100 -1.224 -4.706 299 H ALA 39 H ALA 39 -14.112 0.069 -6.653 300 HA ALA 39 HA ALA 39 -16.258 -0.292 -8.476 301 HB1 ALA 39 1HB ALA 39 -15.176 2.253 -7.205 302 HB2 ALA 39 2HB ALA 39 -16.743 2.060 -8.019 303 HB3 ALA 39 3HB ALA 39 -16.405 1.162 -6.517 304 H ASP 40 H ASP 40 -13.010 1.091 -8.878 305 HA ASP 40 HA ASP 40 -13.432 2.574 -11.193 306 HB2 ASP 40 1HB ASP 40 -11.382 2.297 -9.499 307 HB3 ASP 40 2HB ASP 40 -10.813 1.174 -10.726 308 H SER 41 H SER 41 -14.064 -0.585 -11.050 309 HA SER 41 HA SER 41 -14.393 -2.283 -12.499 310 HB2 SER 41 1HB SER 41 -14.590 -0.353 -14.230 311 HB3 SER 41 2HB SER 41 -12.965 -0.823 -14.732 312 HG SER 41 HG SER 41 -14.965 -2.798 -14.592 313 H LYS 42 H LYS 42 -11.740 -1.342 -11.021 314 HA LYS 42 HA LYS 42 -9.792 -3.199 -12.297 315 HB2 LYS 42 1HB LYS 42 -9.391 -0.708 -10.612 316 HB3 LYS 42 2HB LYS 42 -8.129 -1.738 -11.281 317 HG2 LYS 42 1HG LYS 42 -8.877 -1.200 -13.591 318 HG3 LYS 42 2HG LYS 42 -10.048 -0.056 -12.909 319 HD2 LYS 42 1HD LYS 42 -8.169 1.121 -11.741 320 HD3 LYS 42 2HD LYS 42 -7.026 0.004 -12.518 321 HE2 LYS 42 1HE LYS 42 -7.908 0.800 -14.756 322 HE3 LYS 42 2HE LYS 42 -8.854 2.025 -13.888 323 HZ1 LYS 42 3HZ LYS 42 -5.918 1.738 -13.711 324 HZ2 LYS 42 1HZ LYS 42 -6.839 2.974 -13.077 325 HZ3 LYS 42 2HZ LYS 42 -6.671 2.796 -14.707 326 H HIS 43 H HIS 43 -11.625 -4.457 -10.554 327 HA HIS 43 HA HIS 43 -10.604 -4.542 -7.897 328 HB2 HIS 43 1HB HIS 43 -12.087 -6.384 -7.576 329 HB3 HIS 43 2HB HIS 43 -12.913 -5.169 -8.544 330 HD1 HIS 43 1HD HIS 43 -14.451 -7.595 -9.025 331 HD2 HIS 43 2HD HIS 43 -10.673 -7.142 -10.874 332 HE1 HIS 43 1HE HIS 43 -14.438 -9.090 -11.031 333 H LEU 44 H LEU 44 -8.408 -5.134 -9.877 334 HA LEU 44 HA LEU 44 -7.853 -7.860 -10.106 335 HB2 LEU 44 1HB LEU 44 -7.094 -5.552 -11.257 336 HB3 LEU 44 2HB LEU 44 -5.853 -5.628 -10.089 337 HG LEU 44 HG LEU 44 -4.873 -6.403 -11.795 338 HD11 LEU 44 1HD1 LEU 44 -4.330 -8.807 -11.516 339 HD12 LEU 44 2HD1 LEU 44 -5.808 -9.045 -10.573 340 HD13 LEU 44 3HD1 LEU 44 -4.485 -8.038 -9.924 341 HD21 LEU 44 3HD2 LEU 44 -6.801 -6.526 -13.146 342 HD22 LEU 44 1HD2 LEU 44 -7.286 -8.063 -12.426 343 HD23 LEU 44 2HD2 LEU 44 -5.798 -7.984 -13.421 344 H LEU 45 H LEU 45 -7.319 -9.231 -8.437 345 HA LEU 45 HA LEU 45 -5.422 -8.335 -6.370 346 HB2 LEU 45 1HB LEU 45 -8.192 -9.512 -5.903 347 HB3 LEU 45 2HB LEU 45 -6.936 -9.520 -4.668 348 HG LEU 45 HG LEU 45 -8.018 -6.976 -5.968 349 HD11 LEU 45 1HD1 LEU 45 -8.818 -8.238 -3.315 350 HD12 LEU 45 2HD1 LEU 45 -9.817 -8.093 -4.779 351 HD13 LEU 45 3HD1 LEU 45 -9.326 -6.637 -3.918 352 HD21 LEU 45 3HD2 LEU 45 -6.297 -7.481 -3.486 353 HD22 LEU 45 1HD2 LEU 45 -7.019 -5.920 -3.915 354 HD23 LEU 45 2HD2 LEU 45 -5.813 -6.629 -4.972 355 H GLN 46 H GLN 46 -3.916 -9.939 -6.135 356 HA GLN 46 HA GLN 46 -4.492 -12.674 -7.095 357 HB2 GLN 46 1HB GLN 46 -2.656 -12.675 -8.590 358 HB3 GLN 46 2HB GLN 46 -3.655 -11.277 -8.971 359 HG2 GLN 46 1HG GLN 46 -1.927 -10.077 -7.274 360 HG3 GLN 46 2HG GLN 46 -0.936 -11.432 -7.764 361 HE21 GLN 46 1HE2 GLN 46 -1.966 -8.244 -8.573 362 HE22 GLN 46 2HE2 GLN 46 -1.628 -8.269 -10.310 363 H TYR 47 H TYR 47 -2.821 -14.248 -6.347 364 HA TYR 47 HA TYR 47 -2.222 -13.743 -3.589 365 HB2 TYR 47 1HB TYR 47 -1.106 -15.987 -5.297 366 HB3 TYR 47 2HB TYR 47 -1.218 -15.901 -3.538 367 HD1 TYR 47 2HD TYR 47 -3.877 -15.019 -2.913 368 HD2 TYR 47 1HD TYR 47 -2.620 -17.648 -6.100 369 HE1 TYR 47 2HE TYR 47 -6.204 -15.754 -3.206 370 HE2 TYR 47 1HE TYR 47 -4.926 -18.461 -6.339 371 HH TYR 47 HH TYR 47 -7.131 -18.208 -5.629 372 H GLY 48 H GLY 48 -0.574 -12.776 -2.774 373 HA2 GLY 48 1HA GLY 48 1.693 -12.112 -2.587 374 HA3 GLY 48 2HA GLY 48 1.943 -12.495 -4.266 375 H ASP 49 H ASP 49 -0.908 -10.481 -3.933 376 HA ASP 49 HA ASP 49 0.293 -8.293 -5.287 377 HB2 ASP 49 1HB ASP 49 -2.320 -9.081 -4.585 378 HB3 ASP 49 2HB ASP 49 -2.072 -7.560 -3.718 379 H LYS 50 H LYS 50 0.503 -9.018 -2.108 380 HA LYS 50 HA LYS 50 1.075 -8.288 -0.107 381 HB2 LYS 50 1HB LYS 50 3.163 -7.968 -1.527 382 HB3 LYS 50 2HB LYS 50 2.722 -6.254 -1.706 383 HG2 LYS 50 1HG LYS 50 3.002 -5.864 0.681 384 HG3 LYS 50 2HG LYS 50 3.293 -7.572 0.977 385 HD2 LYS 50 1HD LYS 50 5.067 -5.865 -0.780 386 HD3 LYS 50 2HD LYS 50 5.339 -6.134 0.936 387 HE2 LYS 50 1HE LYS 50 5.277 -8.633 0.503 388 HE3 LYS 50 2HE LYS 50 5.227 -8.276 -1.237 389 HZ1 LYS 50 3HZ LYS 50 7.409 -7.583 0.630 390 HZ2 LYS 50 1HZ LYS 50 7.366 -7.149 -0.979 391 HZ3 LYS 50 2HZ LYS 50 7.449 -8.714 -0.535 392 H LEU 51 H LEU 51 0.741 -6.846 1.555 393 HA LEU 51 HA LEU 51 -0.115 -4.111 0.907 394 HB2 LEU 51 1HB LEU 51 -1.650 -6.134 2.556 395 HB3 LEU 51 2HB LEU 51 -1.659 -4.464 3.076 396 HG LEU 51 HG LEU 51 -2.423 -5.311 0.257 397 HD11 LEU 51 1HD1 LEU 51 -4.292 -4.774 2.584 398 HD12 LEU 51 2HD1 LEU 51 -3.920 -6.373 1.939 399 HD13 LEU 51 3HD1 LEU 51 -4.753 -5.182 0.918 400 HD21 LEU 51 3HD2 LEU 51 -1.862 -2.934 0.438 401 HD22 LEU 51 1HD2 LEU 51 -2.916 -2.761 1.850 402 HD23 LEU 51 2HD2 LEU 51 -3.612 -3.106 0.260 403 H VAL 52 H VAL 52 0.411 -2.646 2.567 404 HA VAL 52 HA VAL 52 1.831 -3.681 4.896 405 HB VAL 52 HB VAL 52 2.768 -1.210 3.383 406 HG11 VAL 52 1HG1 VAL 52 3.173 -1.215 5.857 407 HG12 VAL 52 2HG1 VAL 52 4.019 -2.769 5.703 408 HG13 VAL 52 3HG1 VAL 52 4.675 -1.298 4.944 409 HG21 VAL 52 3HG2 VAL 52 4.118 -3.922 3.529 410 HG22 VAL 52 1HG2 VAL 52 3.425 -3.198 2.059 411 HG23 VAL 52 2HG2 VAL 52 4.821 -2.448 2.845 412 H ASP 53 H ASP 53 1.111 -2.516 6.759 413 HA ASP 53 HA ASP 53 -1.071 -0.569 6.306 414 HB2 ASP 53 1HB ASP 53 -1.891 -1.100 8.407 415 HB3 ASP 53 2HB ASP 53 -1.540 -2.647 7.656 416 H SER 54 H SER 54 -1.130 0.991 8.277 417 HA SER 54 HA SER 54 1.076 2.812 8.278 418 HB2 SER 54 1HB SER 54 -1.534 2.344 9.697 419 HB3 SER 54 2HB SER 54 -0.370 3.428 10.457 420 HG SER 54 HG SER 54 -1.348 3.470 7.771 421 H ASN 55 H ASN 55 1.130 -0.155 9.780 422 HA ASN 55 HA ASN 55 2.950 0.737 11.967 423 HB2 ASN 55 1HB ASN 55 1.230 -1.728 11.920 424 HB3 ASN 55 2HB ASN 55 2.136 -1.089 13.284 425 HD21 ASN 55 1HD2 ASN 55 -0.953 -1.207 11.750 426 HD22 ASN 55 2HD2 ASN 55 -1.678 0.116 12.674 427 H PHE 56 H PHE 56 3.154 -0.341 8.957 428 HA PHE 56 HA PHE 56 4.802 -1.276 7.727 429 HB2 PHE 56 1HB PHE 56 6.303 -1.345 10.372 430 HB3 PHE 56 2HB PHE 56 6.964 -2.003 8.936 431 HD1 PHE 56 2HD PHE 56 5.387 1.260 10.015 432 HD2 PHE 56 1HD PHE 56 8.405 -0.760 7.667 433 HE1 PHE 56 2HE PHE 56 6.318 3.445 9.308 434 HE2 PHE 56 1HE PHE 56 9.317 1.435 6.966 435 HZ PHE 56 HZ PHE 56 8.286 3.544 7.787 436 H HIS 57 H HIS 57 2.656 -3.004 9.299 437 HA HIS 57 HA HIS 57 3.928 -5.629 9.395 438 HB2 HIS 57 1HB HIS 57 1.038 -4.818 9.115 439 HB3 HIS 57 2HB HIS 57 1.670 -6.431 9.551 440 HD1 HIS 57 1HD HIS 57 0.052 -3.720 11.201 441 HD2 HIS 57 2HD HIS 57 3.665 -5.778 11.842 442 HE1 HIS 57 1HE HIS 57 0.532 -3.550 13.696 443 H CYS 58 H CYS 58 4.780 -6.513 7.446 444 HA CYS 58 HA CYS 58 3.438 -5.935 4.897 445 HB2 CYS 58 1HB CYS 58 5.877 -7.482 5.745 446 HB3 CYS 58 2HB CYS 58 4.928 -8.227 4.460 447 HG CYS 58 HG CYS 58 6.900 -6.964 3.417 448 H PHE 59 H PHE 59 2.071 -7.189 3.879 449 HA PHE 59 HA PHE 59 1.092 -9.688 5.134 450 HB2 PHE 59 1HB PHE 59 -0.520 -7.396 3.948 451 HB3 PHE 59 2HB PHE 59 -1.203 -8.900 4.553 452 HD1 PHE 59 2HD PHE 59 0.206 -9.326 7.077 453 HD2 PHE 59 1HD PHE 59 -1.262 -5.682 5.360 454 HE1 PHE 59 2HE PHE 59 -0.024 -8.387 9.348 455 HE2 PHE 59 1HE PHE 59 -1.604 -4.753 7.645 456 HZ PHE 59 HZ PHE 59 -0.938 -6.073 9.638 457 H VAL 60 H VAL 60 -0.134 -10.977 3.660 458 HA VAL 60 HA VAL 60 0.527 -10.866 0.816 459 HB VAL 60 HB VAL 60 1.317 -12.905 2.883 460 HG11 VAL 60 1HG1 VAL 60 1.312 -13.367 -0.131 461 HG12 VAL 60 2HG1 VAL 60 2.029 -14.458 1.103 462 HG13 VAL 60 3HG1 VAL 60 0.297 -14.216 1.060 463 HG21 VAL 60 3HG2 VAL 60 3.002 -11.100 2.271 464 HG22 VAL 60 1HG2 VAL 60 3.536 -12.774 2.152 465 HG23 VAL 60 2HG2 VAL 60 3.115 -11.901 0.690 466 H LEU 61 H LEU 61 -0.961 -11.880 -0.335 467 HA LEU 61 HA LEU 61 -3.563 -12.698 0.847 468 HB2 LEU 61 1HB LEU 61 -3.459 -10.898 -1.122 469 HB3 LEU 61 2HB LEU 61 -2.811 -12.184 -2.084 470 HG LEU 61 HG LEU 61 -4.857 -13.604 -1.533 471 HD11 LEU 61 1HD1 LEU 61 -5.621 -12.184 0.456 472 HD12 LEU 61 2HD1 LEU 61 -6.855 -12.642 -0.729 473 HD13 LEU 61 3HD1 LEU 61 -6.183 -11.001 -0.739 474 HD21 LEU 61 3HD2 LEU 61 -4.652 -12.582 -3.687 475 HD22 LEU 61 1HD2 LEU 61 -5.262 -11.025 -3.088 476 HD23 LEU 61 2HD2 LEU 61 -6.322 -12.448 -3.151 477 H GLU 62 H GLU 62 -4.050 -14.921 0.722 478 HA GLU 62 HA GLU 62 -2.334 -16.642 -1.009 479 HB2 GLU 62 1HB GLU 62 -3.325 -17.243 1.789 480 HB3 GLU 62 2HB GLU 62 -2.395 -18.326 0.714 481 HG2 GLU 62 1HG GLU 62 -0.515 -16.642 0.812 482 HG3 GLU 62 2HG GLU 62 -1.424 -15.825 2.101 483 H GLU 63 H GLU 63 -3.360 -18.971 -0.964 484 HA GLU 63 HA GLU 63 -5.535 -18.680 -2.732 485 HB2 GLU 63 1HB GLU 63 -4.531 -21.263 -1.496 486 HB3 GLU 63 2HB GLU 63 -5.439 -21.059 -2.997 487 HG2 GLU 63 1HG GLU 63 -3.449 -19.691 -3.860 488 HG3 GLU 63 2HG GLU 63 -2.574 -20.317 -2.446 489 H ASP 64 H ASP 64 -5.601 -19.303 0.692 490 HA ASP 64 HA ASP 64 -8.261 -20.504 0.756 491 HB2 ASP 64 1HB ASP 64 -6.487 -20.939 2.436 492 HB3 ASP 64 2HB ASP 64 -6.566 -19.247 2.895 493 H ALA 65 H ALA 65 -7.510 -17.710 -0.426 494 HA ALA 65 HA ALA 65 -8.226 -15.598 -0.547 495 HB1 ALA 65 1HB ALA 65 -10.247 -16.668 -1.450 496 HB2 ALA 65 2HB ALA 65 -10.892 -16.824 0.190 497 HB3 ALA 65 3HB ALA 65 -10.684 -15.219 -0.513 498 H HIS 66 H HIS 66 -6.896 -16.175 1.723 499 HA HIS 66 HA HIS 66 -8.086 -13.995 3.366 500 HB2 HIS 66 1HB HIS 66 -7.043 -14.786 5.374 501 HB3 HIS 66 2HB HIS 66 -8.201 -15.938 4.727 502 HD1 HIS 66 1HD HIS 66 -7.280 -18.357 5.225 503 HD2 HIS 66 2HD HIS 66 -4.380 -15.595 3.887 504 HE1 HIS 66 1HE HIS 66 -5.103 -19.573 5.214 505 H TRP 67 H TRP 67 -6.553 -12.639 4.443 506 HA TRP 67 HA TRP 67 -3.976 -12.353 3.051 507 HB2 TRP 67 1HB TRP 67 -5.648 -10.412 4.689 508 HB3 TRP 67 2HB TRP 67 -3.930 -10.184 4.430 509 HD1 TRP 67 HD TRP 67 -7.237 -9.875 2.617 510 HE1 TRP 67 1HE TRP 67 -6.875 -8.734 0.344 511 HE3 TRP 67 3HE TRP 67 -2.179 -9.611 2.648 512 HZ2 TRP 67 2HZ TRP 67 -4.656 -7.722 -1.222 513 HZ3 TRP 67 3HZ TRP 67 -0.939 -8.509 0.821 514 HH2 TRP 67 HH TRP 67 -2.181 -7.534 -1.140 515 H HIS 68 H HIS 68 -2.184 -12.364 4.496 516 HA HIS 68 HA HIS 68 -2.698 -13.310 7.249 517 HB2 HIS 68 1HB HIS 68 -1.516 -14.709 4.896 518 HB3 HIS 68 2HB HIS 68 -0.448 -14.714 6.287 519 HD1 HIS 68 1HD HIS 68 -3.940 -15.098 7.595 520 HD2 HIS 68 2HD HIS 68 -0.864 -17.418 5.851 521 HE1 HIS 68 1HE HIS 68 -4.381 -17.479 8.257 522 HA PRO 69 HA PRO 69 0.898 -10.788 8.325 523 HB2 PRO 69 1HB PRO 69 2.041 -12.217 10.362 524 HB3 PRO 69 2HB PRO 69 0.515 -11.295 10.519 525 HG2 PRO 69 1HG PRO 69 0.886 -14.264 10.062 526 HG3 PRO 69 2HG PRO 69 -0.237 -13.445 11.184 527 HD2 PRO 69 1HD PRO 69 -1.004 -14.378 8.732 528 HD3 PRO 69 2HD PRO 69 -1.735 -12.925 9.466 529 H ALA 70 H ALA 70 2.887 -10.534 7.420 530 HA ALA 70 HA ALA 70 4.426 -12.934 6.561 531 HB1 ALA 70 1HB ALA 70 3.126 -11.960 4.706 532 HB2 ALA 70 2HB ALA 70 3.960 -10.405 4.948 533 HB3 ALA 70 3HB ALA 70 4.874 -11.842 4.451 534 H ALA 71 H ALA 71 4.639 -10.961 8.861 535 HA ALA 71 HA ALA 71 6.139 -10.278 10.251 536 HB1 ALA 71 1HB ALA 71 7.654 -11.978 9.264 537 HB2 ALA 71 2HB ALA 71 8.333 -10.704 8.220 538 HB3 ALA 71 3HB ALA 71 8.504 -10.589 9.975 539 HA PRO 72 HA PRO 72 6.190 -6.042 9.367 540 HB2 PRO 72 1HB PRO 72 8.083 -4.951 11.042 541 HB3 PRO 72 2HB PRO 72 6.441 -5.471 11.571 542 HG2 PRO 72 1HG PRO 72 9.051 -6.977 11.800 543 HG3 PRO 72 2HG PRO 72 7.730 -6.861 13.001 544 HD2 PRO 72 1HD PRO 72 8.035 -9.028 11.407 545 HD3 PRO 72 2HD PRO 72 6.408 -8.414 11.831 546 H LEU 73 H LEU 73 7.326 -4.202 8.652 547 HA LEU 73 HA LEU 73 9.547 -4.854 6.872 548 HB2 LEU 73 1HB LEU 73 7.251 -4.230 6.130 549 HB3 LEU 73 2HB LEU 73 7.428 -2.677 6.858 550 HG LEU 73 HG LEU 73 9.408 -3.522 4.723 551 HD11 LEU 73 1HD1 LEU 73 7.240 -3.865 3.615 552 HD12 LEU 73 2HD1 LEU 73 7.946 -2.340 3.049 553 HD13 LEU 73 3HD1 LEU 73 6.643 -2.326 4.250 554 HD21 LEU 73 3HD2 LEU 73 9.770 -1.613 6.051 555 HD22 LEU 73 1HD2 LEU 73 8.229 -0.867 5.510 556 HD23 LEU 73 2HD2 LEU 73 9.516 -1.199 4.359 557 HA PRO 74 HA PRO 74 12.247 -2.329 9.326 558 HB2 PRO 74 1HB PRO 74 14.438 -2.111 7.703 559 HB3 PRO 74 2HB PRO 74 13.877 -3.684 8.331 560 HG2 PRO 74 1HG PRO 74 13.310 -2.448 5.632 561 HG3 PRO 74 2HG PRO 74 13.916 -4.083 5.967 562 HD2 PRO 74 1HD PRO 74 11.276 -3.532 5.546 563 HD3 PRO 74 2HD PRO 74 11.779 -4.816 6.670 564 HA PRO 75 HA PRO 75 11.708 1.868 8.375 565 HB2 PRO 75 1HB PRO 75 14.036 3.209 9.013 566 HB3 PRO 75 2HB PRO 75 12.894 2.553 10.204 567 HG2 PRO 75 1HG PRO 75 15.419 1.251 9.126 568 HG3 PRO 75 2HG PRO 75 14.901 1.408 10.845 569 HD2 PRO 75 1HD PRO 75 14.487 -0.861 9.474 570 HD3 PRO 75 2HD PRO 75 13.223 -0.256 10.565 571 H GLU 76 H GLU 76 14.381 0.343 6.742 572 HA GLU 76 HA GLU 76 14.579 2.388 4.632 573 HB2 GLU 76 1HB GLU 76 16.389 0.989 3.767 574 HB3 GLU 76 2HB GLU 76 16.620 1.297 5.492 575 HG2 GLU 76 1HG GLU 76 15.857 -0.913 6.096 576 HG3 GLU 76 2HG GLU 76 15.409 -1.242 4.424 577 H GLY 77 H GLY 77 12.780 -0.636 5.206 578 HA2 GLY 77 1HA GLY 77 12.684 -1.612 2.564 579 HA3 GLY 77 2HA GLY 77 11.509 -1.895 3.823 580 H LEU 78 H LEU 78 10.889 0.929 4.203 581 HA LEU 78 HA LEU 78 8.726 1.258 2.391 582 HB2 LEU 78 1HB LEU 78 8.672 2.228 4.603 583 HB3 LEU 78 2HB LEU 78 10.165 3.121 4.324 584 HG LEU 78 HG LEU 78 9.073 4.589 2.729 585 HD11 LEU 78 1HD1 LEU 78 6.528 3.010 3.336 586 HD12 LEU 78 2HD1 LEU 78 7.359 3.093 1.754 587 HD13 LEU 78 3HD1 LEU 78 6.593 4.528 2.424 588 HD21 LEU 78 3HD2 LEU 78 7.464 4.284 5.310 589 HD22 LEU 78 1HD2 LEU 78 7.558 5.751 4.315 590 HD23 LEU 78 2HD2 LEU 78 9.000 5.148 5.137 591 H ASN 79 H ASN 79 11.861 2.933 2.650 592 HA ASN 79 HA ASN 79 11.750 4.499 0.340 593 HB2 ASN 79 1HB ASN 79 14.310 3.303 1.434 594 HB3 ASN 79 2HB ASN 79 14.093 4.837 0.634 595 HD21 ASN 79 1HD2 ASN 79 14.542 6.526 2.243 596 HD22 ASN 79 2HD2 ASN 79 14.068 6.344 3.890 597 H ASP 80 H ASP 80 12.391 1.022 0.651 598 HA ASP 80 HA ASP 80 13.623 0.773 -1.991 599 HB2 ASP 80 1HB ASP 80 12.695 -1.242 0.072 600 HB3 ASP 80 2HB ASP 80 12.939 -1.737 -1.580 601 H LEU 81 H LEU 81 10.390 0.079 -0.603 602 HA LEU 81 HA LEU 81 9.246 -0.774 -3.105 603 HB2 LEU 81 1HB LEU 81 8.080 0.377 -0.522 604 HB3 LEU 81 2HB LEU 81 7.083 0.260 -1.948 605 HG LEU 81 HG LEU 81 6.523 -1.574 -0.777 606 HD11 LEU 81 1HD1 LEU 81 7.035 -2.062 -3.193 607 HD12 LEU 81 2HD1 LEU 81 7.021 -3.476 -2.115 608 HD13 LEU 81 3HD1 LEU 81 8.572 -2.798 -2.655 609 HD21 LEU 81 3HD2 LEU 81 9.429 -2.318 -0.357 610 HD22 LEU 81 1HD2 LEU 81 7.977 -3.178 0.231 611 HD23 LEU 81 2HD2 LEU 81 8.350 -1.551 0.828 612 H ILE 82 H ILE 82 9.282 2.366 -1.466 613 HA ILE 82 HA ILE 82 7.876 3.851 -3.393 614 HB ILE 82 HB ILE 82 10.002 4.600 -1.372 615 HG12 ILE 82 1HG1 ILE 82 7.675 3.748 -0.680 616 HG13 ILE 82 2HG1 ILE 82 8.234 5.249 0.009 617 HG21 ILE 82 1HG2 ILE 82 9.215 6.985 -1.636 618 HG22 ILE 82 2HG2 ILE 82 10.218 6.364 -2.959 619 HG23 ILE 82 3HG2 ILE 82 8.464 6.509 -3.173 620 HD11 ILE 82 3HD1 ILE 82 6.316 5.114 -2.355 621 HD12 ILE 82 1HD1 ILE 82 5.812 5.241 -0.661 622 HD13 ILE 82 2HD1 ILE 82 6.738 6.546 -1.409 623 H ARG 83 H ARG 83 11.520 3.170 -3.378 624 HA ARG 83 HA ARG 83 12.123 4.629 -5.536 625 HB2 ARG 83 1HB ARG 83 13.461 2.805 -4.008 626 HB3 ARG 83 2HB ARG 83 13.229 1.831 -5.458 627 HG2 ARG 83 1HG ARG 83 13.996 4.261 -6.526 628 HG3 ARG 83 2HG ARG 83 14.848 4.275 -4.983 629 HD2 ARG 83 1HD ARG 83 15.909 2.089 -5.594 630 HD3 ARG 83 2HD ARG 83 14.961 2.067 -7.080 631 HE ARG 83 HE ARG 83 16.199 3.815 -7.996 632 HH11 ARG 83 1HH1 ARG 83 17.810 2.442 -5.126 633 HH12 ARG 83 2HH1 ARG 83 19.128 3.559 -5.200 634 HH21 ARG 83 1HH2 ARG 83 18.093 5.124 -8.133 635 HH22 ARG 83 2HH2 ARG 83 19.337 5.031 -6.952 636 H ALA 84 H ALA 84 10.359 1.501 -5.683 637 HA ALA 84 HA ALA 84 10.732 1.121 -8.517 638 HB1 ALA 84 1HB ALA 84 8.977 -0.557 -8.300 639 HB2 ALA 84 2HB ALA 84 9.997 -0.663 -6.873 640 HB3 ALA 84 3HB ALA 84 8.419 0.146 -6.771 641 H HIS 85 H HIS 85 8.108 2.595 -6.621 642 HA HIS 85 HA HIS 85 6.529 3.459 -8.837 643 HB2 HIS 85 1HB HIS 85 5.611 3.284 -6.623 644 HB3 HIS 85 2HB HIS 85 6.820 4.368 -5.950 645 HD1 HIS 85 1HD HIS 85 3.324 4.620 -7.627 646 HD2 HIS 85 2HD HIS 85 6.642 6.978 -6.450 647 HE1 HIS 85 1HE HIS 85 2.524 6.961 -7.516 648 H CYS 86 H CYS 86 9.180 5.093 -7.002 649 HA CYS 86 HA CYS 86 8.959 7.556 -8.459 650 HB2 CYS 86 1HB CYS 86 11.355 6.297 -7.078 651 HB3 CYS 86 2HB CYS 86 11.258 7.990 -7.589 652 HG CYS 86 HG CYS 86 9.070 8.548 -6.158 653 H ALA 87 H ALA 87 10.788 4.537 -9.113 654 HA ALA 87 HA ALA 87 12.408 5.723 -11.147 655 HB1 ALA 87 1HB ALA 87 12.977 3.376 -11.702 656 HB2 ALA 87 2HB ALA 87 13.003 3.615 -9.938 657 HB3 ALA 87 3HB ALA 87 11.634 2.796 -10.704 658 H THR 88 H THR 88 9.290 4.023 -11.203 659 HA THR 88 HA THR 88 9.329 3.841 -14.086 660 HB THR 88 HB THR 88 8.153 2.225 -12.685 661 HG1 THR 88 1HG THR 88 6.295 3.441 -14.435 662 HG21 THR 88 3HG2 THR 88 5.823 2.641 -11.945 663 HG22 THR 88 1HG2 THR 88 6.047 4.390 -12.225 664 HG23 THR 88 2HG2 THR 88 7.029 3.534 -11.007 665 H LEU 89 H LEU 89 8.060 6.248 -11.783 666 HA LEU 89 HA LEU 89 6.765 7.820 -13.923 667 HB2 LEU 89 1HB LEU 89 7.513 8.574 -11.064 668 HB3 LEU 89 2HB LEU 89 6.473 9.509 -12.154 669 HG LEU 89 HG LEU 89 5.807 6.698 -11.149 670 HD11 LEU 89 1HD1 LEU 89 4.829 9.400 -10.161 671 HD12 LEU 89 2HD1 LEU 89 5.904 8.273 -9.282 672 HD13 LEU 89 3HD1 LEU 89 4.228 7.820 -9.647 673 HD21 LEU 89 3HD2 LEU 89 3.546 7.141 -11.888 674 HD22 LEU 89 1HD2 LEU 89 4.649 7.342 -13.259 675 HD23 LEU 89 2HD2 LEU 89 4.003 8.767 -12.417 676 H GLY 90 H GLY 90 9.678 7.940 -11.906 677 HA2 GLY 90 1HA GLY 90 11.834 8.526 -12.592 678 HA3 GLY 90 2HA GLY 90 11.174 9.515 -13.887 679 H HIS 91 H HIS 91 10.689 9.285 -10.342 680 HA HIS 91 HA HIS 91 10.951 12.249 -10.071 681 HB2 HIS 91 1HB HIS 91 9.106 10.237 -8.793 682 HB3 HIS 91 2HB HIS 91 9.495 11.704 -7.929 683 HD1 HIS 91 1HD HIS 91 9.269 14.017 -9.918 684 HD2 HIS 91 2HD HIS 91 6.758 10.603 -9.883 685 HE1 HIS 91 1HE HIS 91 7.077 14.696 -10.988 686 H CYS 92 H CYS 92 11.274 12.649 -7.492 687 HA CYS 92 HA CYS 92 13.893 11.359 -6.892 688 HB2 CYS 92 1HB CYS 92 13.077 14.173 -6.143 689 HB3 CYS 92 2HB CYS 92 14.700 13.487 -6.192 690 HG CYS 92 HG CYS 92 14.524 13.040 -8.896 691 H CYS 93 H CYS 93 14.513 11.386 -4.621 692 HA CYS 93 HA CYS 93 12.522 10.371 -2.816 693 HB2 CYS 93 1HB CYS 93 14.423 10.096 -1.340 694 HB3 CYS 93 2HB CYS 93 14.874 9.591 -2.962 695 HG CYS 93 HG CYS 93 15.518 12.419 -1.329 696 H THR 94 H THR 94 12.105 13.207 -3.582 697 HA THR 94 HA THR 94 11.915 15.332 -2.891 698 HB THR 94 HB THR 94 9.838 14.554 -2.442 699 HG1 THR 94 1HG THR 94 9.321 16.074 -1.192 700 HG21 THR 94 3HG2 THR 94 9.061 13.372 -0.428 701 HG22 THR 94 1HG2 THR 94 10.745 13.238 0.140 702 HG23 THR 94 2HG2 THR 94 10.226 12.429 -1.363 703 H SER 95 H SER 95 12.159 14.265 0.479 704 HA SER 95 HA SER 95 14.859 14.830 0.890 705 HB2 SER 95 1HB SER 95 14.427 16.772 2.533 706 HB3 SER 95 2HB SER 95 14.475 17.151 0.810 707 HG SER 95 HG SER 95 12.319 17.365 0.732 708 H LYS 96 H LYS 96 14.627 15.226 3.708 709 HA LYS 96 HA LYS 96 14.108 14.144 5.645 710 HB2 LYS 96 1HB LYS 96 12.116 15.540 4.852 711 HB3 LYS 96 2HB LYS 96 11.351 14.007 4.395 712 HG2 LYS 96 1HG LYS 96 11.514 13.294 6.827 713 HG3 LYS 96 2HG LYS 96 12.309 14.836 7.181 714 HD2 LYS 96 1HD LYS 96 10.063 15.142 7.788 715 HD3 LYS 96 2HD LYS 96 10.194 15.965 6.232 716 HE2 LYS 96 1HE LYS 96 9.521 13.142 5.834 717 HE3 LYS 96 2HE LYS 96 8.463 13.829 7.045 718 HZ1 LYS 96 3HZ LYS 96 7.418 14.129 5.041 719 HZ2 LYS 96 1HZ LYS 96 8.753 14.679 4.275 720 HZ3 LYS 96 2HZ LYS 96 7.972 15.638 5.423 721 H MET 97 H MET 97 15.342 12.365 4.003 722 HA MET 97 HA MET 97 15.860 10.153 3.904 723 HB2 MET 97 1HB MET 97 15.542 10.607 6.403 724 HB3 MET 97 2HB MET 97 13.974 9.825 6.253 725 HG2 MET 97 1HG MET 97 15.239 7.762 5.388 726 HG3 MET 97 2HG MET 97 16.721 8.611 5.826 727 HE1 MET 97 3HE MET 97 13.124 8.357 7.652 728 HE2 MET 97 1HE MET 97 13.521 6.764 6.984 729 HE3 MET 97 2HE MET 97 13.495 7.010 8.746 730 H HIS 98 H HIS 98 14.042 10.899 2.097 731 HA HIS 98 HA HIS 98 12.473 10.336 0.594 732 HB2 HIS 98 1HB HIS 98 12.573 7.620 1.895 733 HB3 HIS 98 2HB HIS 98 11.168 8.077 1.015 734 HD1 HIS 98 1HD HIS 98 14.879 7.391 0.245 735 HD2 HIS 98 2HD HIS 98 11.111 8.158 -1.449 736 HE1 HIS 98 1HE HIS 98 15.110 6.857 -2.245 737 H LEU 99 H LEU 99 11.515 8.984 3.752 738 HA LEU 99 HA LEU 99 9.050 10.660 3.897 739 HB2 LEU 99 1HB LEU 99 9.197 7.635 3.764 740 HB3 LEU 99 2HB LEU 99 7.755 8.552 4.195 741 HG LEU 99 HG LEU 99 9.154 8.718 1.445 742 HD11 LEU 99 1HD1 LEU 99 6.771 7.173 2.421 743 HD12 LEU 99 2HD1 LEU 99 8.286 6.557 1.768 744 HD13 LEU 99 3HD1 LEU 99 7.171 7.443 0.706 745 HD21 LEU 99 3HD2 LEU 99 6.980 9.814 0.808 746 HD22 LEU 99 1HD2 LEU 99 7.939 10.795 1.908 747 HD23 LEU 99 2HD2 LEU 99 6.555 9.906 2.535 748 H HIS 100 H HIS 100 8.142 10.669 5.933 749 HA HIS 100 HA HIS 100 10.096 10.057 8.059 750 HB2 HIS 100 1HB HIS 100 9.290 12.260 7.937 751 HB3 HIS 100 2HB HIS 100 7.597 11.733 8.108 752 HD1 HIS 100 1HD HIS 100 6.803 11.428 10.619 753 HD2 HIS 100 2HD HIS 100 10.978 11.808 10.065 754 HE1 HIS 100 1HE HIS 100 7.809 11.643 12.914 755 H SER 101 H SER 101 6.990 8.961 6.881 756 HA SER 101 HA SER 101 6.820 6.669 8.519 757 HB2 SER 101 1HB SER 101 6.214 8.493 10.253 758 HB3 SER 101 2HB SER 101 4.758 8.723 9.284 759 HG SER 101 HG SER 101 5.574 6.547 10.877 760 H VAL 102 H VAL 102 4.218 5.832 8.267 761 HA VAL 102 HA VAL 102 3.910 5.611 5.458 762 HB VAL 102 HB VAL 102 2.041 4.914 7.772 763 HG11 VAL 102 1HG1 VAL 102 0.869 4.927 5.580 764 HG12 VAL 102 2HG1 VAL 102 2.177 3.915 4.917 765 HG13 VAL 102 3HG1 VAL 102 1.072 3.283 6.163 766 HG21 VAL 102 3HG2 VAL 102 4.135 3.756 8.127 767 HG22 VAL 102 1HG2 VAL 102 3.061 2.578 7.372 768 HG23 VAL 102 2HG2 VAL 102 4.291 3.382 6.397 769 H MET 103 H MET 103 2.308 7.658 7.910 770 HA MET 103 HA MET 103 0.200 8.662 6.304 771 HB2 MET 103 1HB MET 103 0.759 8.959 8.845 772 HB3 MET 103 2HB MET 103 1.781 10.293 8.334 773 HG2 MET 103 1HG MET 103 -0.131 11.452 8.757 774 HG3 MET 103 2HG MET 103 -0.479 11.073 7.074 775 HE1 MET 103 3HE MET 103 -2.018 9.024 6.354 776 HE2 MET 103 1HE MET 103 -3.578 8.913 7.206 777 HE3 MET 103 2HE MET 103 -2.981 10.480 6.628 778 H ASP 104 H ASP 104 3.623 9.576 6.547 779 HA ASP 104 HA ASP 104 3.537 11.999 5.027 780 HB2 ASP 104 1HB ASP 104 5.369 10.929 6.618 781 HB3 ASP 104 2HB ASP 104 5.940 10.137 5.155 782 H ALA 105 H ALA 105 4.172 8.601 4.267 783 HA ALA 105 HA ALA 105 4.910 8.769 1.572 784 HB1 ALA 105 1HB ALA 105 4.515 6.410 1.494 785 HB2 ALA 105 2HB ALA 105 4.842 6.698 3.224 786 HB3 ALA 105 3HB ALA 105 3.190 6.481 2.660 787 H ILE 106 H ILE 106 1.600 8.255 2.862 788 HA ILE 106 HA ILE 106 0.380 7.988 0.300 789 HB ILE 106 HB ILE 106 -0.736 8.937 2.962 790 HG12 ILE 106 1HG1 ILE 106 0.268 6.701 3.122 791 HG13 ILE 106 2HG1 ILE 106 -1.456 6.747 3.359 792 HG21 ILE 106 1HG2 ILE 106 -2.334 9.574 1.264 793 HG22 ILE 106 2HG2 ILE 106 -2.257 7.987 0.500 794 HG23 ILE 106 3HG2 ILE 106 -2.949 8.167 2.127 795 HD11 ILE 106 3HD1 ILE 106 -0.088 5.752 0.857 796 HD12 ILE 106 1HD1 ILE 106 -0.827 4.784 2.146 797 HD13 ILE 106 2HD1 ILE 106 -1.856 5.797 1.145 798 H ASP 107 H ASP 107 0.903 10.828 2.403 799 HA ASP 107 HA ASP 107 -0.487 12.691 0.742 800 HB2 ASP 107 1HB ASP 107 1.097 12.771 3.165 801 HB3 ASP 107 2HB ASP 107 1.341 14.190 2.147 802 H PHE 108 H PHE 108 2.920 11.629 0.916 803 HA PHE 108 HA PHE 108 4.058 13.447 -0.921 804 HB2 PHE 108 1HB PHE 108 5.420 11.870 0.480 805 HB3 PHE 108 2HB PHE 108 4.745 10.528 -0.375 806 HD1 PHE 108 1HD PHE 108 6.204 13.762 -1.702 807 HD2 PHE 108 2HD PHE 108 6.365 9.447 -1.649 808 HE1 PHE 108 1HE PHE 108 7.898 13.796 -3.481 809 HE2 PHE 108 2HE PHE 108 8.091 9.496 -3.419 810 HZ PHE 108 HZ PHE 108 8.876 11.660 -4.335 811 H LEU 109 H LEU 109 2.707 10.176 -1.453 812 HA LEU 109 HA LEU 109 3.062 10.170 -4.280 813 HB2 LEU 109 1HB LEU 109 1.063 8.619 -2.570 814 HB3 LEU 109 2HB LEU 109 1.366 8.354 -4.269 815 HG LEU 109 HG LEU 109 3.062 7.638 -1.882 816 HD11 LEU 109 1HD1 LEU 109 1.614 5.962 -2.922 817 HD12 LEU 109 2HD1 LEU 109 3.318 5.521 -3.052 818 HD13 LEU 109 3HD1 LEU 109 2.457 6.172 -4.464 819 HD21 LEU 109 3HD2 LEU 109 4.706 8.894 -3.102 820 HD22 LEU 109 1HD2 LEU 109 4.231 8.139 -4.615 821 HD23 LEU 109 2HD2 LEU 109 5.033 7.174 -3.361 822 H ASN 110 H ASN 110 0.250 11.081 -2.299 823 HA ASN 110 HA ASN 110 -1.471 11.551 -4.525 824 HB2 ASN 110 1HB ASN 110 -1.447 12.413 -1.644 825 HB3 ASN 110 2HB ASN 110 -2.490 13.285 -2.766 826 HD21 ASN 110 1HD2 ASN 110 -1.833 10.041 -1.439 827 HD22 ASN 110 2HD2 ASN 110 -3.422 9.362 -1.843 828 H ALA 111 H ALA 111 0.847 13.743 -2.842 829 HA ALA 111 HA ALA 111 0.104 16.035 -4.333 830 HB1 ALA 111 1HB ALA 111 1.222 16.134 -2.150 831 HB2 ALA 111 2HB ALA 111 2.682 15.395 -2.845 832 HB3 ALA 111 3HB ALA 111 2.166 17.006 -3.376 833 H LEU 112 H LEU 112 1.959 13.328 -5.473 834 HA LEU 112 HA LEU 112 3.724 14.737 -7.266 835 HB2 LEU 112 1HB LEU 112 2.552 11.930 -7.423 836 HB3 LEU 112 2HB LEU 112 3.793 12.536 -8.493 837 HG LEU 112 HG LEU 112 4.154 12.420 -5.487 838 HD11 LEU 112 1HD1 LEU 112 5.055 10.352 -7.499 839 HD12 LEU 112 2HD1 LEU 112 3.665 10.170 -6.439 840 HD13 LEU 112 3HD1 LEU 112 5.259 10.319 -5.707 841 HD21 LEU 112 3HD2 LEU 112 6.197 12.570 -7.733 842 HD22 LEU 112 1HD2 LEU 112 6.544 12.526 -5.980 843 HD23 LEU 112 2HD2 LEU 112 5.728 13.915 -6.695 844 H GLU 113 H GLU 113 0.667 12.938 -7.893 845 HA GLU 113 HA GLU 113 -0.760 12.833 -9.449 846 HB2 GLU 113 1HB GLU 113 -0.939 15.118 -8.080 847 HB3 GLU 113 2HB GLU 113 -0.750 15.766 -9.696 848 HG2 GLU 113 1HG GLU 113 -2.615 14.046 -10.337 849 HG3 GLU 113 2HG GLU 113 -2.860 13.850 -8.609 850 H GLY 114 H GLY 114 1.897 12.601 -10.462 851 HA2 GLY 114 1HA GLY 114 1.284 12.368 -13.181 852 HA3 GLY 114 2HA GLY 114 2.403 13.740 -12.933 Start of MODEL 10 1 H1 MET 1 H MET 1 -21.564 -14.293 9.880 2 HA MET 1 HA MET 1 -22.333 -15.173 7.785 3 HB2 MET 1 1HB MET 1 -24.593 -14.794 6.965 4 HB3 MET 1 2HB MET 1 -24.363 -15.998 8.200 5 HG2 MET 1 1HG MET 1 -25.134 -14.076 9.857 6 HG3 MET 1 2HG MET 1 -25.749 -13.322 8.385 7 HE1 MET 1 3HE MET 1 -26.992 -17.455 10.074 8 HE2 MET 1 1HE MET 1 -25.328 -16.925 9.769 9 HE3 MET 1 2HE MET 1 -26.262 -16.194 11.092 10 H GLY 2 H GLY 2 -23.380 -12.025 9.274 11 HA2 GLY 2 1HA GLY 2 -23.465 -10.501 6.975 12 HA3 GLY 2 2HA GLY 2 -23.067 -9.898 8.591 13 H ALA 3 H ALA 3 -20.646 -10.568 9.270 14 HA ALA 3 HA ALA 3 -18.503 -10.030 8.991 15 HB1 ALA 3 1HB ALA 3 -17.262 -11.107 7.255 16 HB2 ALA 3 2HB ALA 3 -18.568 -12.191 7.731 17 HB3 ALA 3 3HB ALA 3 -18.710 -11.263 6.219 18 H GLY 4 H GLY 4 -17.179 -9.149 6.358 19 HA2 GLY 4 1HA GLY 4 -18.537 -6.710 5.657 20 HA3 GLY 4 2HA GLY 4 -17.191 -6.441 6.773 21 H GLN 5 H GLN 5 -16.332 -5.214 4.856 22 HA GLN 5 HA GLN 5 -15.029 -6.968 2.832 23 HB2 GLN 5 1HB GLN 5 -16.526 -4.400 2.183 24 HB3 GLN 5 2HB GLN 5 -15.599 -5.472 1.112 25 HG2 GLN 5 1HG GLN 5 -17.279 -7.257 1.438 26 HG3 GLN 5 2HG GLN 5 -18.158 -6.265 2.605 27 HE21 GLN 5 1HE2 GLN 5 -19.620 -4.624 1.857 28 HE22 GLN 5 2HE2 GLN 5 -19.940 -4.385 0.175 29 H THR 6 H THR 6 -13.146 -6.693 3.927 30 HA THR 6 HA THR 6 -11.783 -4.105 3.731 31 HB THR 6 HB THR 6 -11.065 -4.606 6.261 32 HG1 THR 6 1HG THR 6 -12.984 -5.131 7.451 33 HG21 THR 6 3HG2 THR 6 -13.675 -3.183 5.609 34 HG22 THR 6 1HG2 THR 6 -12.061 -2.498 5.369 35 HG23 THR 6 2HG2 THR 6 -12.612 -2.876 6.985 36 HA PRO 7 HA PRO 7 -8.359 -6.789 3.057 37 HB2 PRO 7 1HB PRO 7 -6.194 -5.309 3.856 38 HB3 PRO 7 2HB PRO 7 -7.117 -4.989 2.356 39 HG2 PRO 7 1HG PRO 7 -7.419 -3.631 5.061 40 HG3 PRO 7 2HG PRO 7 -7.296 -2.879 3.439 41 HD2 PRO 7 1HD PRO 7 -9.705 -3.291 4.628 42 HD3 PRO 7 2HD PRO 7 -9.477 -3.513 2.867 43 H HIS 8 H HIS 8 -7.980 -5.134 6.353 44 HA HIS 8 HA HIS 8 -8.171 -7.691 7.613 45 HB2 HIS 8 1HB HIS 8 -5.662 -7.461 6.740 46 HB3 HIS 8 2HB HIS 8 -5.497 -6.280 8.008 47 HD1 HIS 8 1HD HIS 8 -5.127 -7.290 10.414 48 HD2 HIS 8 2HD HIS 8 -6.168 -10.095 7.495 49 HE1 HIS 8 1HE HIS 8 -5.456 -9.471 11.654 50 HA PRO 9 HA PRO 9 -9.436 -4.506 10.536 51 HB2 PRO 9 1HB PRO 9 -9.797 -5.921 12.862 52 HB3 PRO 9 2HB PRO 9 -10.873 -6.078 11.434 53 HG2 PRO 9 1HG PRO 9 -8.485 -7.811 12.181 54 HG3 PRO 9 2HG PRO 9 -10.151 -8.354 11.778 55 HD2 PRO 9 1HD PRO 9 -8.226 -8.357 9.905 56 HD3 PRO 9 2HD PRO 9 -9.867 -7.807 9.491 57 H GLN 10 H GLN 10 -6.381 -5.849 10.656 58 HA GLN 10 HA GLN 10 -5.512 -4.130 12.954 59 HB2 GLN 10 1HB GLN 10 -4.327 -6.737 12.060 60 HB3 GLN 10 2HB GLN 10 -3.571 -5.595 13.160 61 HG2 GLN 10 1HG GLN 10 -5.823 -5.735 14.492 62 HG3 GLN 10 2HG GLN 10 -6.164 -7.167 13.501 63 HE21 GLN 10 1HE2 GLN 10 -3.492 -8.343 13.361 64 HE22 GLN 10 2HE2 GLN 10 -3.042 -8.670 15.019 65 H LEU 11 H LEU 11 -5.575 -4.294 9.610 66 HA LEU 11 HA LEU 11 -3.134 -2.812 9.042 67 HB2 LEU 11 1HB LEU 11 -4.263 -4.056 7.322 68 HB3 LEU 11 2HB LEU 11 -5.791 -3.237 7.612 69 HG LEU 11 HG LEU 11 -3.474 -1.504 6.816 70 HD11 LEU 11 1HD1 LEU 11 -3.222 -3.402 5.295 71 HD12 LEU 11 2HD1 LEU 11 -3.877 -2.012 4.420 72 HD13 LEU 11 3HD1 LEU 11 -4.953 -3.338 4.895 73 HD21 LEU 11 3HD2 LEU 11 -6.446 -1.552 6.127 74 HD22 LEU 11 1HD2 LEU 11 -5.283 -0.389 5.478 75 HD23 LEU 11 2HD2 LEU 11 -5.626 -0.408 7.197 76 H ILE 12 H ILE 12 -2.780 -0.797 9.933 77 HA ILE 12 HA ILE 12 -5.126 0.851 10.668 78 HB ILE 12 HB ILE 12 -2.203 1.109 11.420 79 HG12 ILE 12 1HG1 ILE 12 -2.995 -0.838 12.541 80 HG13 ILE 12 2HG1 ILE 12 -3.003 0.459 13.720 81 HG21 ILE 12 1HG2 ILE 12 -4.624 2.639 12.438 82 HG22 ILE 12 2HG2 ILE 12 -2.966 2.745 13.076 83 HG23 ILE 12 3HG2 ILE 12 -3.302 3.277 11.431 84 HD11 ILE 12 3HD1 ILE 12 -5.526 0.697 13.272 85 HD12 ILE 12 1HD1 ILE 12 -5.405 -0.812 12.343 86 HD13 ILE 12 2HD1 ILE 12 -5.000 -0.798 14.059 87 H TRP 13 H TRP 13 -5.788 1.861 8.892 88 HA TRP 13 HA TRP 13 -4.328 2.670 6.683 89 HB2 TRP 13 1HB TRP 13 -6.642 4.221 7.884 90 HB3 TRP 13 2HB TRP 13 -6.094 4.215 6.239 91 HD1 TRP 13 HD TRP 13 -8.386 2.315 8.557 92 HE1 TRP 13 1HE TRP 13 -9.605 0.482 7.242 93 HE3 TRP 13 3HE TRP 13 -5.808 2.607 4.133 94 HZ2 TRP 13 2HZ TRP 13 -9.307 -0.897 4.761 95 HZ3 TRP 13 3HZ TRP 13 -6.291 0.970 2.314 96 HH2 TRP 13 HH TRP 13 -8.010 -0.792 2.630 97 HA PRO 14 HA PRO 14 -4.330 4.627 5.182 98 HB2 PRO 14 1HB PRO 14 -1.955 5.488 4.095 99 HB3 PRO 14 2HB PRO 14 -3.333 6.533 4.435 100 HG2 PRO 14 1HG PRO 14 -0.880 6.061 6.128 101 HG3 PRO 14 2HG PRO 14 -1.668 7.620 5.742 102 HD2 PRO 14 1HD PRO 14 -2.171 6.411 8.091 103 HD3 PRO 14 2HD PRO 14 -3.521 7.134 7.176 104 H ALA 15 H ALA 15 -3.212 3.516 3.326 105 HA ALA 15 HA ALA 15 -1.198 1.525 4.104 106 HB1 ALA 15 1HB ALA 15 -3.926 0.824 2.916 107 HB2 ALA 15 2HB ALA 15 -2.582 -0.320 3.216 108 HB3 ALA 15 3HB ALA 15 -3.383 0.463 4.581 109 H LEU 16 H LEU 16 -0.530 0.257 2.170 110 HA LEU 16 HA LEU 16 -0.575 1.805 -0.368 111 HB2 LEU 16 1HB LEU 16 1.707 1.172 1.494 112 HB3 LEU 16 2HB LEU 16 2.034 1.176 -0.229 113 HG LEU 16 HG LEU 16 0.594 3.522 1.052 114 HD11 LEU 16 1HD1 LEU 16 3.601 3.171 0.854 115 HD12 LEU 16 2HD1 LEU 16 2.644 3.279 2.341 116 HD13 LEU 16 3HD1 LEU 16 2.760 4.683 1.270 117 HD21 LEU 16 3HD2 LEU 16 0.737 3.215 -1.495 118 HD22 LEU 16 1HD2 LEU 16 2.488 3.456 -1.334 119 HD23 LEU 16 2HD2 LEU 16 1.357 4.733 -0.846 120 H LEU 17 H LEU 17 -1.189 0.427 -1.896 121 HA LEU 17 HA LEU 17 -0.789 -2.520 -1.630 122 HB2 LEU 17 1HB LEU 17 -3.072 -1.434 -2.148 123 HB3 LEU 17 2HB LEU 17 -2.366 -0.873 -3.646 124 HG LEU 17 HG LEU 17 -1.910 -3.340 -4.242 125 HD11 LEU 17 1HD1 LEU 17 -3.680 -3.645 -1.780 126 HD12 LEU 17 2HD1 LEU 17 -2.137 -4.444 -2.130 127 HD13 LEU 17 3HD1 LEU 17 -3.612 -4.864 -3.036 128 HD21 LEU 17 3HD2 LEU 17 -4.821 -2.514 -3.907 129 HD22 LEU 17 1HD2 LEU 17 -4.134 -3.675 -5.089 130 HD23 LEU 17 2HD2 LEU 17 -3.746 -1.957 -5.207 131 H LYS 18 H LYS 18 0.444 -3.670 -3.295 132 HA LYS 18 HA LYS 18 1.380 -2.110 -5.587 133 HB2 LYS 18 1HB LYS 18 3.074 -2.071 -3.441 134 HB3 LYS 18 2HB LYS 18 3.679 -3.503 -4.252 135 HG2 LYS 18 1HG LYS 18 3.233 -0.831 -5.651 136 HG3 LYS 18 2HG LYS 18 4.747 -1.317 -4.908 137 HD2 LYS 18 1HD LYS 18 3.364 -2.748 -7.211 138 HD3 LYS 18 2HD LYS 18 4.737 -1.668 -7.337 139 HE2 LYS 18 1HE LYS 18 4.692 -4.335 -5.879 140 HE3 LYS 18 2HE LYS 18 5.428 -3.977 -7.432 141 HZ1 LYS 18 3HZ LYS 18 6.889 -2.381 -6.202 142 HZ2 LYS 18 1HZ LYS 18 7.143 -3.955 -5.877 143 HZ3 LYS 18 2HZ LYS 18 6.323 -3.032 -4.799 144 H GLN 19 H GLN 19 0.391 -3.411 -7.014 145 HA GLN 19 HA GLN 19 -0.099 -6.115 -6.712 146 HB2 GLN 19 1HB GLN 19 0.135 -4.837 -9.428 147 HB3 GLN 19 2HB GLN 19 -0.826 -6.223 -8.914 148 HG2 GLN 19 1HG GLN 19 -1.945 -4.422 -7.288 149 HG3 GLN 19 2HG GLN 19 -1.353 -3.332 -8.533 150 HE21 GLN 19 1HE2 GLN 19 -3.689 -5.795 -7.767 151 HE22 GLN 19 2HE2 GLN 19 -4.543 -5.878 -9.276 152 H GLN 20 H GLN 20 0.643 -7.980 -7.943 153 HA GLN 20 HA GLN 20 3.506 -8.144 -8.240 154 HB2 GLN 20 1HB GLN 20 1.195 -10.041 -8.312 155 HB3 GLN 20 2HB GLN 20 2.627 -10.524 -9.230 156 HG2 GLN 20 1HG GLN 20 4.095 -10.288 -7.404 157 HG3 GLN 20 2HG GLN 20 2.866 -9.519 -6.387 158 HE21 GLN 20 1HE2 GLN 20 4.479 -12.313 -6.359 159 HE22 GLN 20 2HE2 GLN 20 3.138 -13.344 -5.830 160 H GLY 21 H GLY 21 4.287 -6.916 -9.716 161 HA2 GLY 21 1HA GLY 21 5.375 -7.610 -11.797 162 HA3 GLY 21 2HA GLY 21 3.777 -7.594 -12.576 163 H CYS 22 H CYS 22 2.710 -5.437 -11.072 164 HA CYS 22 HA CYS 22 3.557 -3.139 -12.584 165 HB2 CYS 22 1HB CYS 22 1.845 -3.295 -10.067 166 HB3 CYS 22 2HB CYS 22 1.859 -1.997 -11.270 167 HG CYS 22 HG CYS 22 -0.354 -3.184 -11.595 168 H ASN 23 H ASN 23 4.226 -1.132 -11.527 169 HA ASN 23 HA ASN 23 6.119 -1.548 -9.271 170 HB2 ASN 23 1HB ASN 23 6.493 0.573 -11.412 171 HB3 ASN 23 2HB ASN 23 7.679 -0.051 -10.348 172 HD21 ASN 23 1HD2 ASN 23 6.119 -0.523 -13.420 173 HD22 ASN 23 2HD2 ASN 23 6.910 -2.024 -13.821 174 H GLU 24 H GLU 24 3.587 0.319 -10.728 175 HA GLU 24 HA GLU 24 3.691 2.773 -9.402 176 HB2 GLU 24 1HB GLU 24 2.532 1.974 -11.513 177 HB3 GLU 24 2HB GLU 24 1.339 1.164 -10.496 178 HG2 GLU 24 1HG GLU 24 0.618 3.398 -9.650 179 HG3 GLU 24 2HG GLU 24 1.873 4.168 -10.645 180 H LEU 25 H LEU 25 3.507 3.077 -7.192 181 HA LEU 25 HA LEU 25 2.170 1.134 -5.461 182 HB2 LEU 25 1HB LEU 25 3.624 3.742 -5.069 183 HB3 LEU 25 2HB LEU 25 2.351 3.412 -3.935 184 HG LEU 25 HG LEU 25 4.414 2.703 -3.025 185 HD11 LEU 25 1HD1 LEU 25 3.858 0.523 -2.237 186 HD12 LEU 25 2HD1 LEU 25 2.841 0.199 -3.647 187 HD13 LEU 25 3HD1 LEU 25 2.347 1.417 -2.485 188 HD21 LEU 25 3HD2 LEU 25 4.760 0.954 -5.468 189 HD22 LEU 25 1HD2 LEU 25 5.655 0.717 -3.946 190 HD23 LEU 25 2HD2 LEU 25 5.820 2.220 -4.852 191 H LEU 26 H LEU 26 0.227 1.349 -4.438 192 HA LEU 26 HA LEU 26 -1.613 3.425 -5.463 193 HB2 LEU 26 1HB LEU 26 -1.914 0.606 -5.478 194 HB3 LEU 26 2HB LEU 26 -3.051 1.225 -4.296 195 HG LEU 26 HG LEU 26 -4.107 1.059 -6.415 196 HD11 LEU 26 1HD1 LEU 26 -3.678 4.020 -5.842 197 HD12 LEU 26 2HD1 LEU 26 -4.792 2.942 -4.959 198 HD13 LEU 26 3HD1 LEU 26 -5.037 3.272 -6.683 199 HD21 LEU 26 3HD2 LEU 26 -2.043 2.979 -7.574 200 HD22 LEU 26 1HD2 LEU 26 -3.451 2.306 -8.406 201 HD23 LEU 26 2HD2 LEU 26 -2.142 1.232 -7.891 202 HA PRO 27 HA PRO 27 -1.154 4.514 -0.959 203 HB2 PRO 27 1HB PRO 27 -1.673 7.172 -1.276 204 HB3 PRO 27 2HB PRO 27 -0.062 6.456 -1.574 205 HG2 PRO 27 1HG PRO 27 -2.177 7.149 -3.616 206 HG3 PRO 27 2HG PRO 27 -0.426 7.528 -3.654 207 HD2 PRO 27 1HD PRO 27 -1.472 5.403 -4.964 208 HD3 PRO 27 2HD PRO 27 0.148 5.317 -4.213 209 H LEU 28 H LEU 28 -2.926 4.102 0.293 210 HA LEU 28 HA LEU 28 -5.626 5.075 -0.545 211 HB2 LEU 28 1HB LEU 28 -4.852 2.659 1.151 212 HB3 LEU 28 2HB LEU 28 -6.455 3.332 1.110 213 HG LEU 28 HG LEU 28 -6.758 1.597 -0.266 214 HD11 LEU 28 1HD1 LEU 28 -5.815 3.589 -2.365 215 HD12 LEU 28 2HD1 LEU 28 -7.399 3.597 -1.571 216 HD13 LEU 28 3HD1 LEU 28 -6.939 2.241 -2.596 217 HD21 LEU 28 3HD2 LEU 28 -5.209 0.637 -1.873 218 HD22 LEU 28 1HD2 LEU 28 -4.452 0.776 -0.274 219 HD23 LEU 28 2HD2 LEU 28 -4.053 1.943 -1.550 220 H ARG 29 H ARG 29 -5.855 6.991 0.564 221 HA ARG 29 HA ARG 29 -4.379 7.602 2.906 222 HB2 ARG 29 1HB ARG 29 -7.021 8.988 2.528 223 HB3 ARG 29 2HB ARG 29 -5.459 9.626 3.012 224 HG2 ARG 29 1HG ARG 29 -4.746 9.353 0.562 225 HG3 ARG 29 2HG ARG 29 -6.452 8.967 0.218 226 HD2 ARG 29 1HD ARG 29 -6.923 11.177 1.571 227 HD3 ARG 29 2HD ARG 29 -5.238 11.554 1.215 228 HE ARG 29 HE ARG 29 -7.540 11.548 -0.564 229 HH11 ARG 29 1HH1 ARG 29 -3.995 11.298 -0.628 230 HH12 ARG 29 2HH1 ARG 29 -3.883 11.857 -2.264 231 HH21 ARG 29 1HH2 ARG 29 -7.368 12.341 -2.598 232 HH22 ARG 29 2HH2 ARG 29 -5.842 12.664 -3.363 233 H THR 30 H THR 30 -7.814 6.484 2.567 234 HA THR 30 HA THR 30 -7.447 5.263 5.174 235 HB THR 30 HB THR 30 -8.225 7.464 5.772 236 HG1 THR 30 1HG THR 30 -9.443 6.777 7.274 237 HG21 THR 30 3HG2 THR 30 -10.742 6.837 4.201 238 HG22 THR 30 1HG2 THR 30 -9.548 8.115 3.888 239 HG23 THR 30 2HG2 THR 30 -10.541 8.178 5.349 240 H ASN 31 H ASN 31 -9.799 4.337 5.726 241 HA ASN 31 HA ASN 31 -10.041 2.043 4.108 242 HB2 ASN 31 1HB ASN 31 -10.870 2.625 6.562 243 HB3 ASN 31 2HB ASN 31 -12.363 3.092 5.768 244 HD21 ASN 31 1HD2 ASN 31 -12.813 1.292 3.795 245 HD22 ASN 31 2HD2 ASN 31 -12.906 -0.333 4.423 246 H ASP 32 H ASP 32 -11.788 5.166 3.987 247 HA ASP 32 HA ASP 32 -13.768 4.210 2.133 248 HB2 ASP 32 1HB ASP 32 -13.692 6.362 3.716 249 HB3 ASP 32 2HB ASP 32 -13.070 7.126 2.214 250 H ASP 33 H ASP 33 -10.439 5.130 1.694 251 HA ASP 33 HA ASP 33 -10.761 5.786 -1.164 252 HB2 ASP 33 1HB ASP 33 -8.298 5.311 0.619 253 HB3 ASP 33 2HB ASP 33 -8.207 5.699 -1.089 254 H TRP 34 H TRP 34 -9.932 2.975 0.877 255 HA TRP 34 HA TRP 34 -9.298 1.220 -1.331 256 HB2 TRP 34 1HB TRP 34 -8.635 0.691 0.918 257 HB3 TRP 34 2HB TRP 34 -10.294 0.683 1.501 258 HD1 TRP 34 HD TRP 34 -11.819 -1.402 0.877 259 HE1 TRP 34 1HE TRP 34 -11.284 -3.798 0.148 260 HE3 TRP 34 3HE TRP 34 -6.920 -0.779 -0.449 261 HZ2 TRP 34 2HZ TRP 34 -8.983 -5.293 -0.826 262 HZ3 TRP 34 3HZ TRP 34 -5.589 -2.679 -1.280 263 HH2 TRP 34 HH TRP 34 -6.590 -4.971 -1.405 264 H GLN 35 H GLN 35 -12.339 2.234 0.304 265 HA GLN 35 HA GLN 35 -14.057 0.567 -1.257 266 HB2 GLN 35 1HB GLN 35 -14.640 3.405 -0.307 267 HB3 GLN 35 2HB GLN 35 -15.812 2.198 -0.778 268 HG2 GLN 35 1HG GLN 35 -13.990 1.858 1.606 269 HG3 GLN 35 2HG GLN 35 -15.563 2.563 1.701 270 HE21 GLN 35 1HE2 GLN 35 -17.369 1.145 1.799 271 HE22 GLN 35 2HE2 GLN 35 -17.160 -0.596 1.954 272 H ARG 36 H ARG 36 -13.019 3.964 -1.892 273 HA ARG 36 HA ARG 36 -14.491 3.831 -4.249 274 HB2 ARG 36 1HB ARG 36 -14.103 5.979 -4.626 275 HB3 ARG 36 2HB ARG 36 -13.532 5.802 -2.930 276 HG2 ARG 36 1HG ARG 36 -11.308 5.263 -4.174 277 HG3 ARG 36 2HG ARG 36 -11.974 6.223 -5.438 278 HD2 ARG 36 1HD ARG 36 -12.064 8.175 -4.050 279 HD3 ARG 36 2HD ARG 36 -12.011 7.176 -2.577 280 HE ARG 36 HE ARG 36 -9.925 7.822 -2.476 281 HH11 ARG 36 1HH1 ARG 36 -10.090 6.988 -5.980 282 HH12 ARG 36 2HH1 ARG 36 -8.386 6.755 -6.011 283 HH21 ARG 36 1HH2 ARG 36 -7.896 7.722 -2.663 284 HH22 ARG 36 2HH2 ARG 36 -7.034 7.085 -4.054 285 H PHE 37 H PHE 37 -11.232 2.954 -3.585 286 HA PHE 37 HA PHE 37 -9.900 2.917 -5.959 287 HB2 PHE 37 1HB PHE 37 -8.795 2.026 -3.976 288 HB3 PHE 37 2HB PHE 37 -9.897 0.637 -3.964 289 HD1 PHE 37 2HD PHE 37 -7.393 2.229 -6.312 290 HD2 PHE 37 1HD PHE 37 -9.219 -1.396 -4.883 291 HE1 PHE 37 2HE PHE 37 -6.001 0.918 -7.893 292 HE2 PHE 37 1HE PHE 37 -7.820 -2.707 -6.459 293 HZ PHE 37 HZ PHE 37 -6.211 -1.553 -7.961 294 H CYS 38 H CYS 38 -11.674 0.006 -4.893 295 HA CYS 38 HA CYS 38 -11.804 -0.938 -7.630 296 HB2 CYS 38 1HB CYS 38 -12.467 -2.083 -4.948 297 HB3 CYS 38 2HB CYS 38 -13.281 -2.722 -6.375 298 HG CYS 38 HG CYS 38 -11.113 -4.046 -5.525 299 H ALA 39 H ALA 39 -13.884 1.108 -5.632 300 HA ALA 39 HA ALA 39 -16.287 0.853 -7.115 301 HB1 ALA 39 1HB ALA 39 -16.643 3.205 -6.411 302 HB2 ALA 39 2HB ALA 39 -15.875 2.362 -5.109 303 HB3 ALA 39 3HB ALA 39 -14.899 3.492 -6.120 304 H ASP 40 H ASP 40 -13.278 2.638 -7.763 305 HA ASP 40 HA ASP 40 -14.422 3.670 -10.183 306 HB2 ASP 40 1HB ASP 40 -13.529 5.061 -8.167 307 HB3 ASP 40 2HB ASP 40 -11.938 4.689 -8.817 308 H SER 41 H SER 41 -12.283 1.354 -9.477 309 HA SER 41 HA SER 41 -10.933 1.439 -12.151 310 HB2 SER 41 1HB SER 41 -9.613 2.538 -10.286 311 HB3 SER 41 2HB SER 41 -9.479 0.933 -9.527 312 HG SER 41 HG SER 41 -7.764 1.801 -11.003 313 H LYS 42 H LYS 42 -12.319 -0.438 -9.622 314 HA LYS 42 HA LYS 42 -12.543 -2.624 -9.117 315 HB2 LYS 42 1HB LYS 42 -13.843 -3.770 -10.748 316 HB3 LYS 42 2HB LYS 42 -14.287 -2.066 -10.687 317 HG2 LYS 42 1HG LYS 42 -13.163 -1.615 -12.787 318 HG3 LYS 42 2HG LYS 42 -12.384 -3.198 -12.783 319 HD2 LYS 42 1HD LYS 42 -15.092 -3.829 -12.668 320 HD3 LYS 42 2HD LYS 42 -15.067 -2.411 -13.714 321 HE2 LYS 42 1HE LYS 42 -13.664 -3.431 -15.312 322 HE3 LYS 42 2HE LYS 42 -13.071 -4.643 -14.157 323 HZ1 LYS 42 3HZ LYS 42 -14.603 -5.641 -15.694 324 HZ2 LYS 42 1HZ LYS 42 -15.808 -4.614 -15.253 325 HZ3 LYS 42 2HZ LYS 42 -15.192 -5.693 -14.175 326 H HIS 43 H HIS 43 -9.683 -2.181 -9.756 327 HA HIS 43 HA HIS 43 -8.832 -3.724 -11.799 328 HB2 HIS 43 1HB HIS 43 -7.625 -1.982 -10.148 329 HB3 HIS 43 2HB HIS 43 -6.968 -3.457 -9.459 330 HD1 HIS 43 1HD HIS 43 -6.588 -1.110 -12.377 331 HD2 HIS 43 2HD HIS 43 -5.528 -5.058 -11.328 332 HE1 HIS 43 1HE HIS 43 -4.782 -1.815 -13.997 333 H LEU 44 H LEU 44 -7.839 -5.752 -12.063 334 HA LEU 44 HA LEU 44 -8.810 -7.971 -10.830 335 HB2 LEU 44 1HB LEU 44 -7.389 -7.356 -13.019 336 HB3 LEU 44 2HB LEU 44 -6.049 -7.873 -11.987 337 HG LEU 44 HG LEU 44 -8.576 -9.570 -12.308 338 HD11 LEU 44 1HD1 LEU 44 -6.215 -9.671 -14.207 339 HD12 LEU 44 2HD1 LEU 44 -7.817 -9.012 -14.591 340 HD13 LEU 44 3HD1 LEU 44 -7.655 -10.724 -14.198 341 HD21 LEU 44 3HD2 LEU 44 -6.974 -11.397 -11.946 342 HD22 LEU 44 1HD2 LEU 44 -6.966 -10.252 -10.613 343 HD23 LEU 44 2HD2 LEU 44 -5.639 -10.196 -11.810 344 H LEU 45 H LEU 45 -8.292 -9.102 -8.999 345 HA LEU 45 HA LEU 45 -5.964 -8.201 -7.366 346 HB2 LEU 45 1HB LEU 45 -8.766 -9.121 -6.644 347 HB3 LEU 45 2HB LEU 45 -7.484 -9.156 -5.457 348 HG LEU 45 HG LEU 45 -8.296 -6.607 -6.940 349 HD11 LEU 45 1HD1 LEU 45 -10.166 -7.451 -5.573 350 HD12 LEU 45 2HD1 LEU 45 -9.490 -5.958 -4.925 351 HD13 LEU 45 3HD1 LEU 45 -9.103 -7.516 -4.150 352 HD21 LEU 45 3HD2 LEU 45 -6.006 -6.499 -6.006 353 HD22 LEU 45 1HD2 LEU 45 -6.634 -6.984 -4.418 354 HD23 LEU 45 2HD2 LEU 45 -7.111 -5.431 -5.141 355 H GLN 46 H GLN 46 -4.455 -9.697 -7.062 356 HA GLN 46 HA GLN 46 -5.025 -12.583 -7.517 357 HB2 GLN 46 1HB GLN 46 -3.135 -12.818 -8.953 358 HB3 GLN 46 2HB GLN 46 -4.246 -11.601 -9.608 359 HG2 GLN 46 1HG GLN 46 -2.712 -9.954 -8.247 360 HG3 GLN 46 2HG GLN 46 -1.542 -11.247 -8.371 361 HE21 GLN 46 1HE2 GLN 46 -3.382 -8.804 -10.045 362 HE22 GLN 46 2HE2 GLN 46 -2.274 -8.701 -11.380 363 H TYR 47 H TYR 47 -3.657 -13.977 -6.283 364 HA TYR 47 HA TYR 47 -3.432 -12.999 -3.629 365 HB2 TYR 47 1HB TYR 47 -2.517 -15.603 -4.930 366 HB3 TYR 47 2HB TYR 47 -2.518 -15.314 -3.192 367 HD1 TYR 47 1HD TYR 47 -4.892 -14.153 -2.438 368 HD2 TYR 47 2HD TYR 47 -4.323 -17.055 -5.559 369 HE1 TYR 47 1HE TYR 47 -7.267 -14.805 -2.246 370 HE2 TYR 47 2HE TYR 47 -6.674 -17.725 -5.366 371 HH TYR 47 HH TYR 47 -8.981 -15.956 -3.225 372 H GLY 48 H GLY 48 -1.912 -11.357 -3.579 373 HA2 GLY 48 1HA GLY 48 0.494 -11.521 -2.540 374 HA3 GLY 48 2HA GLY 48 0.960 -11.957 -4.171 375 H ASP 49 H ASP 49 -1.645 -9.730 -4.173 376 HA ASP 49 HA ASP 49 -0.455 -7.500 -5.207 377 HB2 ASP 49 1HB ASP 49 -2.959 -8.275 -3.845 378 HB3 ASP 49 2HB ASP 49 -2.617 -6.580 -3.689 379 H LYS 50 H LYS 50 0.171 -8.496 -2.100 380 HA LYS 50 HA LYS 50 0.952 -7.710 -0.151 381 HB2 LYS 50 1HB LYS 50 2.781 -7.530 -1.963 382 HB3 LYS 50 2HB LYS 50 2.483 -5.769 -1.896 383 HG2 LYS 50 1HG LYS 50 3.150 -5.617 0.384 384 HG3 LYS 50 2HG LYS 50 3.157 -7.375 0.581 385 HD2 LYS 50 1HD LYS 50 5.062 -5.892 -1.255 386 HD3 LYS 50 2HD LYS 50 5.412 -6.348 0.428 387 HE2 LYS 50 1HE LYS 50 4.744 -8.754 -0.290 388 HE3 LYS 50 2HE LYS 50 4.919 -8.178 -1.953 389 HZ1 LYS 50 3HZ LYS 50 7.229 -7.678 -1.478 390 HZ2 LYS 50 1HZ LYS 50 6.926 -9.221 -1.057 391 HZ3 LYS 50 2HZ LYS 50 7.047 -8.055 0.111 392 H LEU 51 H LEU 51 0.076 -6.429 1.359 393 HA LEU 51 HA LEU 51 -0.307 -3.552 0.740 394 HB2 LEU 51 1HB LEU 51 -1.898 -5.452 2.498 395 HB3 LEU 51 2HB LEU 51 -1.795 -3.780 2.985 396 HG LEU 51 HG LEU 51 -2.723 -4.627 0.214 397 HD11 LEU 51 1HD1 LEU 51 -5.028 -4.399 1.012 398 HD12 LEU 51 2HD1 LEU 51 -4.447 -4.095 2.664 399 HD13 LEU 51 3HD1 LEU 51 -4.187 -5.675 1.896 400 HD21 LEU 51 3HD2 LEU 51 -3.867 -2.394 0.265 401 HD22 LEU 51 1HD2 LEU 51 -2.109 -2.241 0.402 402 HD23 LEU 51 2HD2 LEU 51 -3.152 -2.071 1.839 403 H VAL 52 H VAL 52 0.478 -2.069 2.335 404 HA VAL 52 HA VAL 52 1.641 -3.198 4.760 405 HB VAL 52 HB VAL 52 3.067 -1.057 3.173 406 HG11 VAL 52 1HG1 VAL 52 4.867 -1.317 4.843 407 HG12 VAL 52 2HG1 VAL 52 3.361 -0.899 5.647 408 HG13 VAL 52 3HG1 VAL 52 3.932 -2.577 5.671 409 HG21 VAL 52 3HG2 VAL 52 3.856 -3.956 3.520 410 HG22 VAL 52 1HG2 VAL 52 3.544 -3.104 1.993 411 HG23 VAL 52 2HG2 VAL 52 4.953 -2.681 2.998 412 H ASP 53 H ASP 53 1.175 -1.800 6.536 413 HA ASP 53 HA ASP 53 -0.700 0.426 5.966 414 HB2 ASP 53 1HB ASP 53 -1.807 -0.108 7.889 415 HB3 ASP 53 2HB ASP 53 -1.347 -1.700 7.331 416 H SER 54 H SER 54 -0.615 1.775 8.320 417 HA SER 54 HA SER 54 1.842 3.306 8.220 418 HB2 SER 54 1HB SER 54 -0.663 3.322 9.927 419 HB3 SER 54 2HB SER 54 0.678 4.440 10.144 420 HG SER 54 HG SER 54 -0.783 3.957 7.745 421 H ASN 55 H ASN 55 0.963 0.507 10.067 422 HA ASN 55 HA ASN 55 3.007 0.896 12.162 423 HB2 ASN 55 1HB ASN 55 1.315 -1.527 11.408 424 HB3 ASN 55 2HB ASN 55 2.528 -1.526 12.657 425 HD21 ASN 55 1HD2 ASN 55 -0.565 -0.155 11.861 426 HD22 ASN 55 2HD2 ASN 55 -0.742 0.441 13.549 427 H PHE 56 H PHE 56 3.124 0.163 8.857 428 HA PHE 56 HA PHE 56 4.673 -0.716 7.476 429 HB2 PHE 56 1HB PHE 56 6.560 -1.001 9.836 430 HB3 PHE 56 2HB PHE 56 6.916 -1.279 8.168 431 HD1 PHE 56 2HD PHE 56 5.409 1.587 10.180 432 HD2 PHE 56 1HD PHE 56 8.107 0.307 7.039 433 HE1 PHE 56 2HE PHE 56 5.908 3.909 9.681 434 HE2 PHE 56 1HE PHE 56 8.666 2.674 6.617 435 HZ PHE 56 HZ PHE 56 7.590 4.500 7.912 436 H HIS 57 H HIS 57 2.592 -2.295 9.164 437 HA HIS 57 HA HIS 57 3.683 -5.020 9.362 438 HB2 HIS 57 1HB HIS 57 0.836 -3.937 9.264 439 HB3 HIS 57 2HB HIS 57 1.293 -5.621 9.496 440 HD1 HIS 57 1HD HIS 57 -0.412 -4.232 11.732 441 HD2 HIS 57 2HD HIS 57 3.800 -4.416 11.587 442 HE1 HIS 57 1HE HIS 57 0.404 -4.090 14.143 443 H CYS 58 H CYS 58 4.460 -5.890 7.437 444 HA CYS 58 HA CYS 58 3.029 -5.239 4.960 445 HB2 CYS 58 1HB CYS 58 4.536 -7.181 4.124 446 HB3 CYS 58 2HB CYS 58 5.190 -5.582 4.345 447 HG CYS 58 HG CYS 58 5.339 -7.744 6.856 448 H PHE 59 H PHE 59 1.893 -6.667 3.764 449 HA PHE 59 HA PHE 59 0.756 -9.042 5.131 450 HB2 PHE 59 1HB PHE 59 -0.681 -6.877 3.556 451 HB3 PHE 59 2HB PHE 59 -1.452 -8.302 4.227 452 HD1 PHE 59 1HD PHE 59 -0.979 -8.695 6.809 453 HD2 PHE 59 2HD PHE 59 -0.859 -4.868 4.851 454 HE1 PHE 59 1HE PHE 59 -1.062 -7.572 9.011 455 HE2 PHE 59 2HE PHE 59 -1.113 -3.750 7.035 456 HZ PHE 59 HZ PHE 59 -1.192 -5.078 9.128 457 H VAL 60 H VAL 60 -0.431 -10.427 3.497 458 HA VAL 60 HA VAL 60 0.329 -10.200 0.688 459 HB VAL 60 HB VAL 60 0.942 -12.538 2.510 460 HG11 VAL 60 1HG1 VAL 60 1.023 -12.516 -0.538 461 HG12 VAL 60 2HG1 VAL 60 1.708 -13.796 0.485 462 HG13 VAL 60 3HG1 VAL 60 -0.024 -13.497 0.503 463 HG21 VAL 60 3HG2 VAL 60 2.772 -11.057 2.548 464 HG22 VAL 60 1HG2 VAL 60 3.250 -12.386 1.490 465 HG23 VAL 60 2HG2 VAL 60 2.720 -10.827 0.796 466 H LEU 61 H LEU 61 -1.270 -11.160 -0.486 467 HA LEU 61 HA LEU 61 -3.871 -11.806 0.851 468 HB2 LEU 61 1HB LEU 61 -3.738 -10.290 -1.190 469 HB3 LEU 61 2HB LEU 61 -3.164 -11.645 -2.097 470 HG LEU 61 HG LEU 61 -5.728 -10.856 -1.333 471 HD11 LEU 61 1HD1 LEU 61 -6.424 -10.890 -3.252 472 HD12 LEU 61 2HD1 LEU 61 -6.064 -12.572 -3.478 473 HD13 LEU 61 3HD1 LEU 61 -4.781 -11.346 -3.693 474 HD21 LEU 61 3HD2 LEU 61 -7.139 -12.634 -1.118 475 HD22 LEU 61 1HD2 LEU 61 -6.200 -12.155 0.287 476 HD23 LEU 61 2HD2 LEU 61 -5.737 -13.597 -0.625 477 H GLU 62 H GLU 62 -4.306 -13.992 1.224 478 HA GLU 62 HA GLU 62 -2.467 -15.928 -0.032 479 HB2 GLU 62 1HB GLU 62 -3.978 -16.544 2.408 480 HB3 GLU 62 2HB GLU 62 -2.642 -17.430 1.639 481 HG2 GLU 62 1HG GLU 62 -1.701 -14.721 2.080 482 HG3 GLU 62 2HG GLU 62 -2.647 -15.176 3.376 483 H GLU 63 H GLU 63 -3.492 -17.969 -0.686 484 HA GLU 63 HA GLU 63 -5.780 -17.774 -2.212 485 HB2 GLU 63 1HB GLU 63 -4.246 -20.129 -1.191 486 HB3 GLU 63 2HB GLU 63 -5.778 -20.431 -2.030 487 HG2 GLU 63 1HG GLU 63 -5.074 -19.364 -4.021 488 HG3 GLU 63 2HG GLU 63 -3.727 -18.574 -3.222 489 H ASP 64 H ASP 64 -5.947 -18.022 1.167 490 HA ASP 64 HA ASP 64 -8.643 -19.082 1.407 491 HB2 ASP 64 1HB ASP 64 -6.562 -18.128 3.182 492 HB3 ASP 64 2HB ASP 64 -8.028 -17.248 3.559 493 H ALA 65 H ALA 65 -7.447 -15.982 0.127 494 HA ALA 65 HA ALA 65 -8.461 -14.207 -0.521 495 HB1 ALA 65 1HB ALA 65 -10.737 -13.709 -0.470 496 HB2 ALA 65 2HB ALA 65 -10.672 -15.472 -0.705 497 HB3 ALA 65 3HB ALA 65 -11.047 -14.779 0.888 498 H HIS 66 H HIS 66 -7.336 -15.125 2.286 499 HA HIS 66 HA HIS 66 -8.138 -12.694 3.770 500 HB2 HIS 66 1HB HIS 66 -7.283 -13.609 5.749 501 HB3 HIS 66 2HB HIS 66 -8.414 -14.724 5.029 502 HD1 HIS 66 1HD HIS 66 -7.469 -16.812 6.358 503 HD2 HIS 66 2HD HIS 66 -4.605 -14.711 4.018 504 HE1 HIS 66 1HE HIS 66 -5.304 -18.106 6.517 505 H TRP 67 H TRP 67 -6.478 -11.554 4.968 506 HA TRP 67 HA TRP 67 -4.016 -11.322 3.317 507 HB2 TRP 67 1HB TRP 67 -5.532 -9.246 4.887 508 HB3 TRP 67 2HB TRP 67 -3.875 -9.027 4.351 509 HD1 TRP 67 HD TRP 67 -7.392 -9.485 2.824 510 HE1 TRP 67 1HE TRP 67 -7.376 -8.707 0.381 511 HE3 TRP 67 3HE TRP 67 -2.402 -8.689 2.300 512 HZ2 TRP 67 2HZ TRP 67 -5.437 -7.501 -1.449 513 HZ3 TRP 67 3HZ TRP 67 -1.473 -7.753 0.199 514 HH2 TRP 67 HH TRP 67 -2.992 -7.075 -1.636 515 H HIS 68 H HIS 68 -2.414 -12.448 4.271 516 HA HIS 68 HA HIS 68 -2.555 -13.002 7.150 517 HB2 HIS 68 1HB HIS 68 -1.851 -14.831 5.760 518 HB3 HIS 68 2HB HIS 68 -0.752 -13.813 4.838 519 HD1 HIS 68 1HD HIS 68 1.741 -14.218 5.393 520 HD2 HIS 68 2HD HIS 68 -0.926 -15.154 8.528 521 HE1 HIS 68 1HE HIS 68 3.143 -15.149 7.281 522 HA PRO 69 HA PRO 69 0.400 -9.626 8.083 523 HB2 PRO 69 1HB PRO 69 1.169 -10.345 10.602 524 HB3 PRO 69 2HB PRO 69 -0.425 -9.635 10.232 525 HG2 PRO 69 1HG PRO 69 0.251 -12.584 10.513 526 HG3 PRO 69 2HG PRO 69 -1.078 -11.670 11.298 527 HD2 PRO 69 1HD PRO 69 -1.536 -13.090 9.058 528 HD3 PRO 69 2HD PRO 69 -2.257 -11.468 9.261 529 H ALA 70 H ALA 70 2.100 -9.788 6.807 530 HA ALA 70 HA ALA 70 4.041 -11.981 6.888 531 HB1 ALA 70 1HB ALA 70 3.400 -10.843 4.753 532 HB2 ALA 70 2HB ALA 70 4.114 -9.326 5.379 533 HB3 ALA 70 3HB ALA 70 5.132 -10.744 5.105 534 H ALA 71 H ALA 71 3.535 -10.426 9.375 535 HA ALA 71 HA ALA 71 4.635 -9.519 11.112 536 HB1 ALA 71 1HB ALA 71 6.352 -11.296 10.151 537 HB2 ALA 71 2HB ALA 71 7.316 -9.854 9.796 538 HB3 ALA 71 3HB ALA 71 6.826 -10.223 11.459 539 HA PRO 72 HA PRO 72 5.550 -5.241 10.193 540 HB2 PRO 72 1HB PRO 72 7.445 -4.466 11.936 541 HB3 PRO 72 2HB PRO 72 5.750 -4.788 12.461 542 HG2 PRO 72 1HG PRO 72 8.116 -6.663 12.651 543 HG3 PRO 72 2HG PRO 72 6.927 -6.233 13.929 544 HD2 PRO 72 1HD PRO 72 6.654 -8.464 12.453 545 HD3 PRO 72 2HD PRO 72 5.217 -7.501 12.884 546 H LEU 73 H LEU 73 7.197 -3.873 9.357 547 HA LEU 73 HA LEU 73 9.509 -5.250 8.128 548 HB2 LEU 73 1HB LEU 73 7.389 -4.588 6.744 549 HB3 LEU 73 2HB LEU 73 7.797 -2.938 7.113 550 HG LEU 73 HG LEU 73 9.957 -3.192 5.881 551 HD11 LEU 73 1HD1 LEU 73 10.539 -5.449 5.646 552 HD12 LEU 73 2HD1 LEU 73 9.681 -5.241 4.126 553 HD13 LEU 73 3HD1 LEU 73 8.866 -5.981 5.507 554 HD21 LEU 73 3HD2 LEU 73 7.354 -3.751 4.398 555 HD22 LEU 73 1HD2 LEU 73 8.836 -3.117 3.656 556 HD23 LEU 73 2HD2 LEU 73 7.980 -2.165 4.881 557 HA PRO 74 HA PRO 74 11.645 -1.899 10.272 558 HB2 PRO 74 1HB PRO 74 13.855 -1.516 8.569 559 HB3 PRO 74 2HB PRO 74 13.723 -2.767 9.832 560 HG2 PRO 74 1HG PRO 74 13.157 -3.034 6.878 561 HG3 PRO 74 2HG PRO 74 14.061 -4.149 7.957 562 HD2 PRO 74 1HD PRO 74 11.499 -4.649 7.313 563 HD3 PRO 74 2HD PRO 74 12.078 -4.924 8.979 564 HA PRO 75 HA PRO 75 10.277 1.778 8.294 565 HB2 PRO 75 1HB PRO 75 12.240 3.652 8.890 566 HB3 PRO 75 2HB PRO 75 11.008 3.063 10.024 567 HG2 PRO 75 1HG PRO 75 13.865 2.123 9.736 568 HG3 PRO 75 2HG PRO 75 12.969 2.519 11.235 569 HD2 PRO 75 1HD PRO 75 13.243 -0.039 10.408 570 HD3 PRO 75 2HD PRO 75 11.696 0.523 11.109 571 H GLU 76 H GLU 76 13.460 0.577 7.503 572 HA GLU 76 HA GLU 76 13.873 2.265 5.167 573 HB2 GLU 76 1HB GLU 76 15.571 -0.088 6.084 574 HB3 GLU 76 2HB GLU 76 16.061 1.358 5.173 575 HG2 GLU 76 1HG GLU 76 15.358 2.661 7.261 576 HG3 GLU 76 2HG GLU 76 15.261 1.128 8.109 577 H GLY 77 H GLY 77 12.510 -0.771 5.985 578 HA2 GLY 77 1HA GLY 77 12.839 -2.121 3.437 579 HA3 GLY 77 2HA GLY 77 11.721 -2.581 4.729 580 H LEU 78 H LEU 78 10.605 0.264 4.669 581 HA LEU 78 HA LEU 78 8.436 0.074 2.804 582 HB2 LEU 78 1HB LEU 78 8.269 1.521 4.701 583 HB3 LEU 78 2HB LEU 78 9.771 2.354 4.293 584 HG LEU 78 HG LEU 78 8.688 3.318 2.271 585 HD11 LEU 78 1HD1 LEU 78 6.163 2.130 3.512 586 HD12 LEU 78 2HD1 LEU 78 6.864 1.676 1.929 587 HD13 LEU 78 3HD1 LEU 78 6.182 3.301 2.174 588 HD21 LEU 78 3HD2 LEU 78 7.299 3.907 4.916 589 HD22 LEU 78 1HD2 LEU 78 7.361 4.984 3.506 590 HD23 LEU 78 2HD2 LEU 78 8.854 4.563 4.357 591 H ASN 79 H ASN 79 11.556 1.839 2.689 592 HA ASN 79 HA ASN 79 11.291 3.087 0.280 593 HB2 ASN 79 1HB ASN 79 13.890 1.939 1.365 594 HB3 ASN 79 2HB ASN 79 13.731 3.296 0.278 595 HD21 ASN 79 1HD2 ASN 79 14.316 5.355 1.544 596 HD22 ASN 79 2HD2 ASN 79 13.966 5.310 3.212 597 H ASP 80 H ASP 80 11.967 -0.338 0.791 598 HA ASP 80 HA ASP 80 12.979 -0.880 -1.894 599 HB2 ASP 80 1HB ASP 80 12.312 -2.436 0.584 600 HB3 ASP 80 2HB ASP 80 12.075 -3.289 -0.910 601 H LEU 81 H LEU 81 9.764 -0.591 -0.504 602 HA LEU 81 HA LEU 81 8.528 -1.953 -2.817 603 HB2 LEU 81 1HB LEU 81 7.390 -0.468 -0.404 604 HB3 LEU 81 2HB LEU 81 6.411 -1.184 -1.672 605 HG LEU 81 HG LEU 81 8.384 -2.765 0.031 606 HD11 LEU 81 1HD1 LEU 81 6.593 -1.832 1.415 607 HD12 LEU 81 2HD1 LEU 81 6.434 -3.590 1.255 608 HD13 LEU 81 3HD1 LEU 81 5.372 -2.507 0.321 609 HD21 LEU 81 3HD2 LEU 81 7.167 -4.732 -0.789 610 HD22 LEU 81 1HD2 LEU 81 7.894 -3.876 -2.120 611 HD23 LEU 81 2HD2 LEU 81 6.131 -3.702 -1.814 612 H ILE 82 H ILE 82 8.632 1.273 -1.330 613 HA ILE 82 HA ILE 82 7.368 2.741 -3.379 614 HB ILE 82 HB ILE 82 9.463 3.547 -1.359 615 HG12 ILE 82 1HG1 ILE 82 7.270 2.558 -0.471 616 HG13 ILE 82 2HG1 ILE 82 7.793 4.101 0.163 617 HG21 ILE 82 1HG2 ILE 82 8.574 5.878 -1.628 618 HG22 ILE 82 2HG2 ILE 82 9.401 5.290 -3.049 619 HG23 ILE 82 3HG2 ILE 82 7.635 5.346 -3.026 620 HD11 ILE 82 3HD1 ILE 82 5.813 3.984 -2.114 621 HD12 ILE 82 1HD1 ILE 82 5.313 3.841 -0.414 622 HD13 ILE 82 2HD1 ILE 82 6.120 5.306 -0.988 623 H ARG 83 H ARG 83 10.703 1.556 -3.158 624 HA ARG 83 HA ARG 83 12.111 2.923 -5.044 625 HB2 ARG 83 1HB ARG 83 12.212 0.333 -3.836 626 HB3 ARG 83 2HB ARG 83 12.459 0.076 -5.544 627 HG2 ARG 83 1HG ARG 83 13.988 2.187 -3.957 628 HG3 ARG 83 2HG ARG 83 14.484 0.508 -4.110 629 HD2 ARG 83 1HD ARG 83 14.496 0.743 -6.604 630 HD3 ARG 83 2HD ARG 83 14.196 2.483 -6.393 631 HE ARG 83 HE ARG 83 16.425 1.721 -4.785 632 HH11 ARG 83 1HH1 ARG 83 15.668 2.069 -8.259 633 HH12 ARG 83 2HH1 ARG 83 17.307 2.210 -8.725 634 HH21 ARG 83 1HH2 ARG 83 18.530 2.027 -5.367 635 HH22 ARG 83 2HH2 ARG 83 19.031 2.158 -7.012 636 H ALA 84 H ALA 84 9.638 0.413 -5.741 637 HA ALA 84 HA ALA 84 10.085 0.354 -8.557 638 HB1 ALA 84 1HB ALA 84 8.983 -1.403 -7.084 639 HB2 ALA 84 2HB ALA 84 7.534 -0.368 -7.078 640 HB3 ALA 84 3HB ALA 84 8.157 -1.054 -8.596 641 H HIS 85 H HIS 85 7.617 2.166 -6.668 642 HA HIS 85 HA HIS 85 6.387 3.440 -8.888 643 HB2 HIS 85 1HB HIS 85 5.347 3.388 -6.720 644 HB3 HIS 85 2HB HIS 85 6.688 4.233 -5.967 645 HD1 HIS 85 1HD HIS 85 3.311 5.066 -7.580 646 HD2 HIS 85 2HD HIS 85 7.034 6.877 -6.666 647 HE1 HIS 85 1HE HIS 85 2.923 7.531 -7.485 648 H CYS 86 H CYS 86 9.192 4.445 -6.847 649 HA CYS 86 HA CYS 86 9.520 6.977 -8.233 650 HB2 CYS 86 1HB CYS 86 11.474 5.349 -6.547 651 HB3 CYS 86 2HB CYS 86 11.653 7.055 -7.018 652 HG CYS 86 HG CYS 86 9.304 7.823 -6.010 653 H ALA 87 H ALA 87 10.822 3.673 -8.765 654 HA ALA 87 HA ALA 87 12.733 4.494 -10.764 655 HB1 ALA 87 1HB ALA 87 11.625 1.765 -10.004 656 HB2 ALA 87 2HB ALA 87 13.008 2.054 -11.070 657 HB3 ALA 87 3HB ALA 87 13.110 2.516 -9.361 658 H THR 88 H THR 88 9.293 3.899 -10.942 659 HA THR 88 HA THR 88 9.527 3.576 -13.883 660 HB THR 88 HB THR 88 8.069 2.088 -12.534 661 HG1 THR 88 1HG THR 88 6.656 3.566 -14.464 662 HG21 THR 88 3HG2 THR 88 6.207 4.492 -12.367 663 HG22 THR 88 1HG2 THR 88 6.967 3.618 -11.011 664 HG23 THR 88 2HG2 THR 88 5.760 2.816 -12.019 665 H LEU 89 H LEU 89 9.563 6.136 -11.708 666 HA LEU 89 HA LEU 89 8.242 7.967 -13.682 667 HB2 LEU 89 1HB LEU 89 8.358 8.205 -10.660 668 HB3 LEU 89 2HB LEU 89 7.661 9.385 -11.779 669 HG LEU 89 HG LEU 89 6.641 6.541 -11.428 670 HD11 LEU 89 1HD1 LEU 89 5.545 9.165 -10.379 671 HD12 LEU 89 2HD1 LEU 89 6.366 7.919 -9.424 672 HD13 LEU 89 3HD1 LEU 89 4.792 7.579 -10.209 673 HD21 LEU 89 3HD2 LEU 89 5.441 8.891 -12.954 674 HD22 LEU 89 1HD2 LEU 89 4.641 7.338 -12.645 675 HD23 LEU 89 2HD2 LEU 89 6.078 7.400 -13.666 676 H GLY 90 H GLY 90 10.827 7.847 -11.165 677 HA2 GLY 90 1HA GLY 90 13.102 8.451 -11.996 678 HA3 GLY 90 2HA GLY 90 12.352 9.876 -12.735 679 H HIS 91 H HIS 91 12.200 8.323 -9.437 680 HA HIS 91 HA HIS 91 13.020 10.973 -8.303 681 HB2 HIS 91 1HB HIS 91 10.512 9.566 -8.036 682 HB3 HIS 91 2HB HIS 91 11.259 9.651 -6.478 683 HD1 HIS 91 1HD HIS 91 12.388 12.703 -6.402 684 HD2 HIS 91 2HD HIS 91 8.791 11.325 -8.123 685 HE1 HIS 91 1HE HIS 91 10.963 14.715 -6.696 686 H CYS 92 H CYS 92 13.823 10.899 -6.060 687 HA CYS 92 HA CYS 92 14.963 8.368 -5.167 688 HB2 CYS 92 1HB CYS 92 16.673 10.831 -5.677 689 HB3 CYS 92 2HB CYS 92 17.192 9.422 -4.746 690 HG CYS 92 HG CYS 92 17.144 7.685 -6.572 691 H CYS 93 H CYS 93 14.998 11.746 -4.528 692 HA CYS 93 HA CYS 93 13.464 11.854 -2.179 693 HB2 CYS 93 1HB CYS 93 15.398 12.283 -0.516 694 HB3 CYS 93 2HB CYS 93 15.195 10.588 -0.965 695 HG CYS 93 HG CYS 93 17.103 12.617 -2.683 696 H THR 94 H THR 94 13.334 13.928 -1.200 697 HA THR 94 HA THR 94 15.040 16.097 -2.216 698 HB THR 94 HB THR 94 13.368 15.854 -3.910 699 HG1 THR 94 1HG THR 94 12.445 17.862 -3.810 700 HG21 THR 94 3HG2 THR 94 10.957 16.061 -3.503 701 HG22 THR 94 1HG2 THR 94 11.232 16.088 -1.753 702 HG23 THR 94 2HG2 THR 94 11.607 14.632 -2.694 703 H SER 95 H SER 95 14.995 17.889 -0.815 704 HA SER 95 HA SER 95 15.270 18.819 1.191 705 HB2 SER 95 1HB SER 95 12.367 18.108 1.446 706 HB3 SER 95 2HB SER 95 13.257 19.182 2.542 707 HG SER 95 HG SER 95 12.380 20.500 1.014 708 H LYS 96 H LYS 96 13.476 15.826 2.068 709 HA LYS 96 HA LYS 96 15.290 15.632 4.415 710 HB2 LYS 96 1HB LYS 96 13.545 14.804 5.742 711 HB3 LYS 96 2HB LYS 96 13.045 16.320 4.978 712 HG2 LYS 96 1HG LYS 96 12.198 14.374 3.194 713 HG3 LYS 96 2HG LYS 96 11.843 13.615 4.752 714 HD2 LYS 96 1HD LYS 96 10.931 16.461 4.060 715 HD3 LYS 96 2HD LYS 96 10.031 15.035 3.597 716 HE2 LYS 96 1HE LYS 96 8.944 15.669 5.521 717 HE3 LYS 96 2HE LYS 96 9.995 14.351 6.045 718 HZ1 LYS 96 3HZ LYS 96 10.684 17.165 6.473 719 HZ2 LYS 96 1HZ LYS 96 11.415 15.790 7.102 720 HZ3 LYS 96 2HZ LYS 96 9.915 16.220 7.565 721 H MET 97 H MET 97 14.352 12.936 5.027 722 HA MET 97 HA MET 97 16.060 11.463 3.245 723 HB2 MET 97 1HB MET 97 15.315 11.037 5.785 724 HB3 MET 97 2HB MET 97 14.081 10.045 4.996 725 HG2 MET 97 1HG MET 97 15.893 8.855 3.751 726 HG3 MET 97 2HG MET 97 17.095 9.912 4.489 727 HE1 MET 97 3HE MET 97 13.989 8.025 6.463 728 HE2 MET 97 1HE MET 97 14.422 7.273 4.908 729 HE3 MET 97 2HE MET 97 14.821 6.457 6.428 730 H HIS 98 H HIS 98 15.016 9.338 2.249 731 HA HIS 98 HA HIS 98 13.530 9.702 0.065 732 HB2 HIS 98 1HB HIS 98 14.637 7.631 0.674 733 HB3 HIS 98 2HB HIS 98 13.390 7.334 1.885 734 HD1 HIS 98 1HD HIS 98 12.545 5.129 0.679 735 HD2 HIS 98 2HD HIS 98 12.348 8.640 -1.606 736 HE1 HIS 98 1HE HIS 98 11.366 4.502 -1.522 737 H LEU 99 H LEU 99 11.937 8.459 3.016 738 HA LEU 99 HA LEU 99 9.667 10.304 2.583 739 HB2 LEU 99 1HB LEU 99 9.439 7.305 3.004 740 HB3 LEU 99 2HB LEU 99 8.103 8.448 3.218 741 HG LEU 99 HG LEU 99 9.633 8.111 0.580 742 HD11 LEU 99 1HD1 LEU 99 8.676 6.061 0.908 743 HD12 LEU 99 2HD1 LEU 99 7.451 6.933 -0.055 744 HD13 LEU 99 3HD1 LEU 99 7.228 6.697 1.693 745 HD21 LEU 99 3HD2 LEU 99 7.131 9.694 1.382 746 HD22 LEU 99 1HD2 LEU 99 7.503 9.254 -0.290 747 HD23 LEU 99 2HD2 LEU 99 8.624 10.259 0.602 748 H HIS 100 H HIS 100 8.803 10.993 4.422 749 HA HIS 100 HA HIS 100 10.393 10.840 6.799 750 HB2 HIS 100 1HB HIS 100 9.172 12.779 5.843 751 HB3 HIS 100 2HB HIS 100 7.658 12.019 6.208 752 HD1 HIS 100 1HD HIS 100 6.637 13.326 8.045 753 HD2 HIS 100 2HD HIS 100 10.717 12.503 8.656 754 HE1 HIS 100 1HE HIS 100 7.187 14.159 10.410 755 H SER 101 H SER 101 7.335 9.467 5.722 756 HA SER 101 HA SER 101 7.142 7.421 7.669 757 HB2 SER 101 1HB SER 101 5.061 8.232 8.828 758 HB3 SER 101 2HB SER 101 6.523 9.062 9.291 759 HG SER 101 HG SER 101 5.561 10.821 8.798 760 H VAL 102 H VAL 102 4.759 6.414 7.459 761 HA VAL 102 HA VAL 102 4.283 5.956 4.685 762 HB VAL 102 HB VAL 102 2.720 5.282 7.210 763 HG11 VAL 102 1HG1 VAL 102 1.096 5.315 5.353 764 HG12 VAL 102 2HG1 VAL 102 2.177 4.324 4.361 765 HG13 VAL 102 3HG1 VAL 102 1.445 3.650 5.830 766 HG21 VAL 102 3HG2 VAL 102 4.442 3.588 5.331 767 HG22 VAL 102 1HG2 VAL 102 4.944 4.188 6.917 768 HG23 VAL 102 2HG2 VAL 102 3.634 3.017 6.800 769 H MET 103 H MET 103 2.532 8.012 7.133 770 HA MET 103 HA MET 103 0.464 8.718 5.293 771 HB2 MET 103 1HB MET 103 0.277 9.119 7.720 772 HB3 MET 103 2HB MET 103 1.552 10.347 7.603 773 HG2 MET 103 1HG MET 103 -0.635 11.416 7.689 774 HG3 MET 103 2HG MET 103 0.205 11.748 6.187 775 HE1 MET 103 3HE MET 103 -2.302 9.161 7.777 776 HE2 MET 103 1HE MET 103 -3.063 10.765 7.789 777 HE3 MET 103 2HE MET 103 -3.737 9.478 6.770 778 H ASP 104 H ASP 104 3.559 10.372 6.038 779 HA ASP 104 HA ASP 104 3.205 12.551 4.251 780 HB2 ASP 104 1HB ASP 104 5.466 11.377 5.735 781 HB3 ASP 104 2HB ASP 104 5.951 11.975 4.168 782 H ALA 105 H ALA 105 4.258 9.233 3.652 783 HA ALA 105 HA ALA 105 5.003 9.545 0.917 784 HB1 ALA 105 1HB ALA 105 5.392 7.519 2.488 785 HB2 ALA 105 2HB ALA 105 3.762 7.020 2.009 786 HB3 ALA 105 3HB ALA 105 4.998 7.209 0.773 787 H ILE 106 H ILE 106 1.817 8.937 2.440 788 HA ILE 106 HA ILE 106 0.435 8.202 0.056 789 HB ILE 106 HB ILE 106 -0.511 9.561 2.601 790 HG12 ILE 106 1HG1 ILE 106 0.401 7.281 2.885 791 HG13 ILE 106 2HG1 ILE 106 -1.272 7.422 3.317 792 HG21 ILE 106 1HG2 ILE 106 -2.160 10.155 0.977 793 HG22 ILE 106 2HG2 ILE 106 -2.308 8.474 0.424 794 HG23 ILE 106 3HG2 ILE 106 -2.798 8.936 2.075 795 HD11 ILE 106 3HD1 ILE 106 -0.191 6.194 0.761 796 HD12 ILE 106 1HD1 ILE 106 -0.825 5.326 2.158 797 HD13 ILE 106 2HD1 ILE 106 -1.926 6.322 1.191 798 H ASP 107 H ASP 107 0.926 11.422 1.585 799 HA ASP 107 HA ASP 107 -0.530 12.751 -0.553 800 HB2 ASP 107 1HB ASP 107 0.202 13.441 2.006 801 HB3 ASP 107 2HB ASP 107 1.274 14.415 1.055 802 H PHE 108 H PHE 108 2.983 12.214 0.197 803 HA PHE 108 HA PHE 108 4.130 13.683 -1.901 804 HB2 PHE 108 1HB PHE 108 5.433 12.584 -0.152 805 HB3 PHE 108 2HB PHE 108 4.922 10.998 -0.718 806 HD1 PHE 108 1HD PHE 108 6.790 14.043 -1.793 807 HD2 PHE 108 2HD PHE 108 6.249 9.782 -2.376 808 HE1 PHE 108 1HE PHE 108 8.774 13.983 -3.272 809 HE2 PHE 108 2HE PHE 108 8.148 9.776 -3.910 810 HZ PHE 108 HZ PHE 108 9.436 11.868 -4.357 811 H LEU 109 H LEU 109 3.170 10.248 -2.020 812 HA LEU 109 HA LEU 109 3.824 9.745 -4.720 813 HB2 LEU 109 1HB LEU 109 1.716 8.554 -2.876 814 HB3 LEU 109 2HB LEU 109 2.120 7.858 -4.426 815 HG LEU 109 HG LEU 109 4.191 8.240 -2.196 816 HD11 LEU 109 1HD1 LEU 109 2.514 5.788 -2.854 817 HD12 LEU 109 2HD1 LEU 109 2.381 6.796 -1.393 818 HD13 LEU 109 3HD1 LEU 109 3.849 5.855 -1.676 819 HD21 LEU 109 3HD2 LEU 109 4.223 6.459 -4.618 820 HD22 LEU 109 1HD2 LEU 109 5.491 6.588 -3.367 821 HD23 LEU 109 2HD2 LEU 109 5.127 7.973 -4.405 822 H ASN 110 H ASN 110 0.937 11.088 -3.358 823 HA ASN 110 HA ASN 110 -0.621 10.963 -5.861 824 HB2 ASN 110 1HB ASN 110 -0.943 12.358 -3.185 825 HB3 ASN 110 2HB ASN 110 -1.882 12.929 -4.557 826 HD21 ASN 110 1HD2 ASN 110 -1.302 10.053 -2.526 827 HD22 ASN 110 2HD2 ASN 110 -2.898 9.365 -2.776 828 H ALA 111 H ALA 111 1.298 13.459 -4.123 829 HA ALA 111 HA ALA 111 0.786 15.516 -6.038 830 HB1 ALA 111 1HB ALA 111 2.532 16.734 -4.817 831 HB2 ALA 111 2HB ALA 111 1.401 15.971 -3.682 832 HB3 ALA 111 3HB ALA 111 2.991 15.235 -3.967 833 H LEU 112 H LEU 112 2.937 12.769 -6.208 834 HA LEU 112 HA LEU 112 4.762 13.985 -8.096 835 HB2 LEU 112 1HB LEU 112 4.004 11.048 -7.736 836 HB3 LEU 112 2HB LEU 112 5.328 11.680 -8.705 837 HG LEU 112 HG LEU 112 5.112 11.670 -5.684 838 HD11 LEU 112 1HD1 LEU 112 6.846 10.318 -7.709 839 HD12 LEU 112 2HD1 LEU 112 6.121 9.733 -6.201 840 HD13 LEU 112 3HD1 LEU 112 7.554 10.751 -6.140 841 HD21 LEU 112 3HD2 LEU 112 5.854 13.881 -6.066 842 HD22 LEU 112 1HD2 LEU 112 6.917 13.385 -7.400 843 HD23 LEU 112 2HD2 LEU 112 7.303 12.967 -5.716 844 H GLU 113 H GLU 113 1.584 12.418 -8.338 845 HA GLU 113 HA GLU 113 1.603 12.518 -11.260 846 HB2 GLU 113 1HB GLU 113 0.005 11.311 -9.086 847 HB3 GLU 113 2HB GLU 113 -1.047 12.148 -10.209 848 HG2 GLU 113 1HG GLU 113 1.051 10.167 -11.128 849 HG3 GLU 113 2HG GLU 113 -0.563 9.712 -10.591 850 H GLY 114 H GLY 114 -0.285 13.651 -12.241 851 HA2 GLY 114 1HA GLY 114 -2.131 15.264 -11.852 852 HA3 GLY 114 2HA GLY 114 -0.997 16.268 -10.920 Start of MODEL 11 1 H1 MET 1 H MET 1 -13.722 -7.123 14.931 2 HA MET 1 HA MET 1 -12.445 -8.265 12.532 3 HB2 MET 1 1HB MET 1 -13.055 -9.836 14.403 4 HB3 MET 1 2HB MET 1 -14.745 -9.408 14.165 5 HG2 MET 1 1HG MET 1 -14.077 -11.502 12.966 6 HG3 MET 1 2HG MET 1 -14.672 -10.264 11.868 7 HE1 MET 1 3HE MET 1 -10.976 -10.390 13.534 8 HE2 MET 1 1HE MET 1 -11.533 -12.059 13.327 9 HE3 MET 1 2HE MET 1 -10.202 -11.438 12.330 10 H GLY 2 H GLY 2 -13.505 -8.058 10.510 11 HA2 GLY 2 1HA GLY 2 -15.406 -5.773 10.617 12 HA3 GLY 2 2HA GLY 2 -13.975 -5.886 9.614 13 H ALA 3 H ALA 3 -15.614 -5.302 8.033 14 HA ALA 3 HA ALA 3 -17.529 -7.300 7.052 15 HB1 ALA 3 1HB ALA 3 -18.071 -5.626 5.410 16 HB2 ALA 3 2HB ALA 3 -17.905 -4.792 6.967 17 HB3 ALA 3 3HB ALA 3 -16.584 -4.711 5.781 18 H GLY 4 H GLY 4 -17.398 -7.929 4.681 19 HA2 GLY 4 1HA GLY 4 -14.820 -9.153 4.215 20 HA3 GLY 4 2HA GLY 4 -16.252 -9.297 3.190 21 H GLN 5 H GLN 5 -15.906 -6.035 3.443 22 HA GLN 5 HA GLN 5 -14.719 -5.986 0.766 23 HB2 GLN 5 1HB GLN 5 -16.118 -3.750 2.314 24 HB3 GLN 5 2HB GLN 5 -15.687 -3.718 0.618 25 HG2 GLN 5 1HG GLN 5 -17.918 -4.223 0.498 26 HG3 GLN 5 2HG GLN 5 -17.188 -5.813 0.355 27 HE21 GLN 5 1HE2 GLN 5 -18.237 -7.398 1.637 28 HE22 GLN 5 2HE2 GLN 5 -19.109 -6.998 3.097 29 H THR 6 H THR 6 -13.151 -6.027 3.422 30 HA THR 6 HA THR 6 -11.306 -3.807 2.652 31 HB THR 6 HB THR 6 -10.942 -3.077 4.828 32 HG1 THR 6 1HG THR 6 -11.106 -4.262 6.400 33 HG21 THR 6 3HG2 THR 6 -13.141 -2.350 3.800 34 HG22 THR 6 1HG2 THR 6 -13.062 -2.244 5.570 35 HG23 THR 6 2HG2 THR 6 -13.953 -3.571 4.800 36 HA PRO 7 HA PRO 7 -8.387 -7.068 2.980 37 HB2 PRO 7 1HB PRO 7 -6.086 -5.801 2.522 38 HB3 PRO 7 2HB PRO 7 -7.438 -5.673 1.368 39 HG2 PRO 7 1HG PRO 7 -6.589 -3.646 3.461 40 HG3 PRO 7 2HG PRO 7 -7.083 -3.373 1.763 41 HD2 PRO 7 1HD PRO 7 -8.740 -3.241 4.062 42 HD3 PRO 7 2HD PRO 7 -9.271 -3.334 2.357 43 H HIS 8 H HIS 8 -8.964 -7.580 5.280 44 HA HIS 8 HA HIS 8 -8.271 -8.472 7.179 45 HB2 HIS 8 1HB HIS 8 -5.850 -8.197 6.170 46 HB3 HIS 8 2HB HIS 8 -5.724 -6.830 7.223 47 HD1 HIS 8 1HD HIS 8 -3.968 -7.764 8.838 48 HD2 HIS 8 2HD HIS 8 -7.118 -10.435 8.040 49 HE1 HIS 8 1HE HIS 8 -3.675 -9.736 10.442 50 HA PRO 9 HA PRO 9 -9.538 -4.906 9.684 51 HB2 PRO 9 1HB PRO 9 -10.125 -6.052 12.057 52 HB3 PRO 9 2HB PRO 9 -11.076 -6.423 10.582 53 HG2 PRO 9 1HG PRO 9 -8.783 -8.032 11.762 54 HG3 PRO 9 2HG PRO 9 -10.395 -8.617 11.263 55 HD2 PRO 9 1HD PRO 9 -8.197 -8.751 9.643 56 HD3 PRO 9 2HD PRO 9 -9.850 -8.500 8.985 57 H GLN 10 H GLN 10 -6.738 -6.877 10.389 58 HA GLN 10 HA GLN 10 -5.735 -5.229 12.576 59 HB2 GLN 10 1HB GLN 10 -5.285 -7.792 11.744 60 HB3 GLN 10 2HB GLN 10 -3.887 -6.983 11.032 61 HG2 GLN 10 1HG GLN 10 -4.692 -6.841 13.960 62 HG3 GLN 10 2HG GLN 10 -3.560 -8.017 13.303 63 HE21 GLN 10 1HE2 GLN 10 -1.430 -7.214 12.417 64 HE22 GLN 10 2HE2 GLN 10 -0.883 -5.628 12.951 65 H LEU 11 H LEU 11 -5.918 -4.873 9.138 66 HA LEU 11 HA LEU 11 -3.637 -3.131 8.825 67 HB2 LEU 11 1HB LEU 11 -4.677 -4.321 6.982 68 HB3 LEU 11 2HB LEU 11 -6.210 -3.506 7.242 69 HG LEU 11 HG LEU 11 -3.943 -1.630 6.900 70 HD11 LEU 11 1HD1 LEU 11 -4.710 -3.499 4.639 71 HD12 LEU 11 2HD1 LEU 11 -3.105 -3.329 5.376 72 HD13 LEU 11 3HD1 LEU 11 -3.791 -2.003 4.430 73 HD21 LEU 11 3HD2 LEU 11 -6.302 -0.921 6.906 74 HD22 LEU 11 1HD2 LEU 11 -6.600 -1.918 5.464 75 HD23 LEU 11 2HD2 LEU 11 -5.494 -0.535 5.380 76 H ILE 12 H ILE 12 -3.409 -1.111 9.427 77 HA ILE 12 HA ILE 12 -5.737 0.506 10.344 78 HB ILE 12 HB ILE 12 -2.855 0.916 11.197 79 HG12 ILE 12 1HG1 ILE 12 -3.193 -1.328 11.910 80 HG13 ILE 12 2HG1 ILE 12 -3.165 -0.228 13.263 81 HG21 ILE 12 1HG2 ILE 12 -3.883 2.090 13.074 82 HG22 ILE 12 2HG2 ILE 12 -4.473 2.734 11.530 83 HG23 ILE 12 3HG2 ILE 12 -5.521 1.668 12.459 84 HD11 ILE 12 3HD1 ILE 12 -5.710 -1.431 12.092 85 HD12 ILE 12 1HD1 ILE 12 -4.865 -2.012 13.528 86 HD13 ILE 12 2HD1 ILE 12 -5.607 -0.400 13.538 87 H TRP 13 H TRP 13 -6.271 1.755 8.666 88 HA TRP 13 HA TRP 13 -4.592 2.483 6.542 89 HB2 TRP 13 1HB TRP 13 -7.023 4.007 7.501 90 HB3 TRP 13 2HB TRP 13 -6.287 4.067 5.938 91 HD1 TRP 13 HD TRP 13 -8.799 2.082 7.892 92 HE1 TRP 13 1HE TRP 13 -9.863 0.286 6.379 93 HE3 TRP 13 3HE TRP 13 -5.631 2.370 3.865 94 HZ2 TRP 13 2HZ TRP 13 -9.217 -1.081 3.961 95 HZ3 TRP 13 3HZ TRP 13 -5.818 0.682 2.038 96 HH2 TRP 13 HH TRP 13 -7.575 -1.044 2.090 97 HA PRO 14 HA PRO 14 -4.487 4.457 5.014 98 HB2 PRO 14 1HB PRO 14 -2.105 5.247 3.991 99 HB3 PRO 14 2HB PRO 14 -3.391 6.400 4.411 100 HG2 PRO 14 1HG PRO 14 -0.985 5.615 6.032 101 HG3 PRO 14 2HG PRO 14 -1.616 7.275 5.716 102 HD2 PRO 14 1HD PRO 14 -2.297 6.044 8.035 103 HD3 PRO 14 2HD PRO 14 -3.529 6.917 7.090 104 H ALA 15 H ALA 15 -3.254 3.352 3.194 105 HA ALA 15 HA ALA 15 -1.150 1.525 4.049 106 HB1 ALA 15 1HB ALA 15 -3.700 0.482 2.753 107 HB2 ALA 15 2HB ALA 15 -2.285 -0.476 3.264 108 HB3 ALA 15 3HB ALA 15 -3.312 0.299 4.482 109 H LEU 16 H LEU 16 -0.265 0.380 2.181 110 HA LEU 16 HA LEU 16 -0.601 1.787 -0.430 111 HB2 LEU 16 1HB LEU 16 1.857 1.485 1.284 112 HB3 LEU 16 2HB LEU 16 2.060 1.346 -0.460 113 HG LEU 16 HG LEU 16 0.453 3.649 0.656 114 HD11 LEU 16 1HD1 LEU 16 3.486 3.652 0.439 115 HD12 LEU 16 2HD1 LEU 16 2.507 3.818 1.913 116 HD13 LEU 16 3HD1 LEU 16 2.450 5.082 0.684 117 HD21 LEU 16 3HD2 LEU 16 2.295 3.505 -1.735 118 HD22 LEU 16 1HD2 LEU 16 1.086 4.739 -1.375 119 HD23 LEU 16 2HD2 LEU 16 0.580 3.103 -1.831 120 H LEU 17 H LEU 17 -1.401 0.295 -1.695 121 HA LEU 17 HA LEU 17 -0.904 -2.588 -1.446 122 HB2 LEU 17 1HB LEU 17 -3.015 -1.530 -2.429 123 HB3 LEU 17 2HB LEU 17 -1.980 -0.883 -3.702 124 HG LEU 17 HG LEU 17 -1.400 -3.248 -4.389 125 HD11 LEU 17 1HD1 LEU 17 -3.670 -3.907 -2.444 126 HD12 LEU 17 2HD1 LEU 17 -1.977 -4.446 -2.341 127 HD13 LEU 17 3HD1 LEU 17 -2.996 -5.017 -3.657 128 HD21 LEU 17 3HD2 LEU 17 -3.047 -1.935 -5.623 129 HD22 LEU 17 1HD2 LEU 17 -4.321 -2.381 -4.467 130 HD23 LEU 17 2HD2 LEU 17 -3.596 -3.615 -5.517 131 H LYS 18 H LYS 18 0.684 -3.744 -2.702 132 HA LYS 18 HA LYS 18 1.799 -2.337 -4.955 133 HB2 LYS 18 1HB LYS 18 3.362 -2.001 -2.758 134 HB3 LYS 18 2HB LYS 18 4.031 -3.521 -3.363 135 HG2 LYS 18 1HG LYS 18 3.653 -0.977 -4.999 136 HG3 LYS 18 2HG LYS 18 5.153 -1.492 -4.242 137 HD2 LYS 18 1HD LYS 18 3.748 -2.952 -6.479 138 HD3 LYS 18 2HD LYS 18 5.234 -2.019 -6.567 139 HE2 LYS 18 1HE LYS 18 4.793 -4.601 -5.009 140 HE3 LYS 18 2HE LYS 18 5.711 -4.394 -6.498 141 HZ1 LYS 18 3HZ LYS 18 7.393 -3.264 -5.409 142 HZ2 LYS 18 1HZ LYS 18 7.043 -4.518 -4.421 143 HZ3 LYS 18 2HZ LYS 18 6.495 -3.047 -4.010 144 H GLN 19 H GLN 19 0.915 -3.725 -6.251 145 HA GLN 19 HA GLN 19 0.287 -6.438 -5.715 146 HB2 GLN 19 1HB GLN 19 0.418 -4.792 -8.263 147 HB3 GLN 19 2HB GLN 19 -0.302 -6.397 -8.159 148 HG2 GLN 19 1HG GLN 19 -1.738 -5.386 -6.223 149 HG3 GLN 19 2HG GLN 19 -1.165 -3.810 -6.794 150 HE21 GLN 19 1HE2 GLN 19 -3.170 -6.587 -7.485 151 HE22 GLN 19 2HE2 GLN 19 -4.156 -5.705 -8.579 152 H GLN 20 H GLN 20 1.021 -8.270 -6.888 153 HA GLN 20 HA GLN 20 3.747 -8.768 -6.429 154 HB2 GLN 20 1HB GLN 20 1.397 -10.263 -6.618 155 HB3 GLN 20 2HB GLN 20 2.239 -10.731 -8.094 156 HG2 GLN 20 1HG GLN 20 4.294 -11.130 -6.613 157 HG3 GLN 20 2HG GLN 20 3.270 -10.824 -5.225 158 HE21 GLN 20 1HE2 GLN 20 3.742 -13.008 -4.448 159 HE22 GLN 20 2HE2 GLN 20 2.903 -14.370 -5.148 160 H GLY 21 H GLY 21 5.399 -8.184 -7.716 161 HA2 GLY 21 1HA GLY 21 6.735 -8.212 -9.584 162 HA3 GLY 21 2HA GLY 21 5.405 -8.840 -10.563 163 H CYS 22 H CYS 22 3.846 -6.281 -9.243 164 HA CYS 22 HA CYS 22 4.484 -4.351 -11.313 165 HB2 CYS 22 1HB CYS 22 2.827 -4.038 -8.761 166 HB3 CYS 22 2HB CYS 22 2.765 -3.033 -10.175 167 HG CYS 22 HG CYS 22 0.619 -4.442 -10.195 168 H ASN 23 H ASN 23 4.789 -2.009 -10.333 169 HA ASN 23 HA ASN 23 6.802 -1.946 -8.152 170 HB2 ASN 23 1HB ASN 23 8.035 -0.230 -9.823 171 HB3 ASN 23 2HB ASN 23 8.428 -1.933 -9.761 172 HD21 ASN 23 1HD2 ASN 23 8.227 -3.136 -11.505 173 HD22 ASN 23 2HD2 ASN 23 7.424 -2.741 -12.996 174 H GLU 24 H GLU 24 4.243 -0.419 -9.996 175 HA GLU 24 HA GLU 24 4.521 2.144 -8.641 176 HB2 GLU 24 1HB GLU 24 3.474 1.974 -10.804 177 HB3 GLU 24 2HB GLU 24 2.304 0.796 -10.249 178 HG2 GLU 24 1HG GLU 24 2.408 3.411 -8.769 179 HG3 GLU 24 2HG GLU 24 1.896 3.484 -10.445 180 H LEU 25 H LEU 25 3.079 2.726 -6.858 181 HA LEU 25 HA LEU 25 2.084 0.517 -5.201 182 HB2 LEU 25 1HB LEU 25 2.453 3.206 -3.986 183 HB3 LEU 25 2HB LEU 25 2.606 1.597 -3.257 184 HG LEU 25 HG LEU 25 4.662 3.239 -4.755 185 HD11 LEU 25 1HD1 LEU 25 5.910 3.049 -2.582 186 HD12 LEU 25 2HD1 LEU 25 4.497 2.255 -1.876 187 HD13 LEU 25 3HD1 LEU 25 4.387 3.929 -2.453 188 HD21 LEU 25 3HD2 LEU 25 6.339 1.550 -4.369 189 HD22 LEU 25 1HD2 LEU 25 5.052 0.803 -5.277 190 HD23 LEU 25 2HD2 LEU 25 5.168 0.531 -3.512 191 H LEU 26 H LEU 26 0.041 0.908 -4.376 192 HA LEU 26 HA LEU 26 -1.488 3.066 -5.599 193 HB2 LEU 26 1HB LEU 26 -2.037 0.479 -5.926 194 HB3 LEU 26 2HB LEU 26 -3.041 0.776 -4.511 195 HG LEU 26 HG LEU 26 -4.117 0.949 -6.778 196 HD11 LEU 26 1HD1 LEU 26 -4.346 3.380 -4.965 197 HD12 LEU 26 2HD1 LEU 26 -5.172 1.811 -4.776 198 HD13 LEU 26 3HD1 LEU 26 -5.539 2.842 -6.161 199 HD21 LEU 26 3HD2 LEU 26 -2.871 3.717 -6.993 200 HD22 LEU 26 1HD2 LEU 26 -3.985 2.925 -8.095 201 HD23 LEU 26 2HD2 LEU 26 -2.327 2.295 -7.922 202 HA PRO 27 HA PRO 27 -1.270 4.415 -1.205 203 HB2 PRO 27 1HB PRO 27 -2.014 7.009 -1.633 204 HB3 PRO 27 2HB PRO 27 -0.352 6.433 -1.913 205 HG2 PRO 27 1HG PRO 27 -2.563 6.799 -3.948 206 HG3 PRO 27 2HG PRO 27 -0.863 7.337 -4.056 207 HD2 PRO 27 1HD PRO 27 -1.727 5.052 -5.222 208 HD3 PRO 27 2HD PRO 27 -0.097 5.138 -4.486 209 H LEU 28 H LEU 28 -2.917 4.021 0.155 210 HA LEU 28 HA LEU 28 -5.704 4.732 -0.615 211 HB2 LEU 28 1HB LEU 28 -4.695 2.401 1.077 212 HB3 LEU 28 2HB LEU 28 -6.348 2.909 0.998 213 HG LEU 28 HG LEU 28 -6.613 1.294 -0.459 214 HD11 LEU 28 1HD1 LEU 28 -6.647 3.307 -2.010 215 HD12 LEU 28 2HD1 LEU 28 -6.488 1.701 -2.737 216 HD13 LEU 28 3HD1 LEU 28 -5.062 2.733 -2.573 217 HD21 LEU 28 3HD2 LEU 28 -3.648 1.263 -0.910 218 HD22 LEU 28 1HD2 LEU 28 -4.775 0.166 -1.745 219 HD23 LEU 28 2HD2 LEU 28 -4.630 0.136 0.030 220 H ARG 29 H ARG 29 -5.578 6.793 0.397 221 HA ARG 29 HA ARG 29 -4.474 7.356 2.888 222 HB2 ARG 29 1HB ARG 29 -7.114 8.663 2.305 223 HB3 ARG 29 2HB ARG 29 -5.654 9.298 3.018 224 HG2 ARG 29 1HG ARG 29 -4.587 9.182 0.696 225 HG3 ARG 29 2HG ARG 29 -6.234 8.804 0.093 226 HD2 ARG 29 1HD ARG 29 -7.064 10.889 1.188 227 HD3 ARG 29 2HD ARG 29 -5.398 11.277 1.639 228 HE ARG 29 HE ARG 29 -4.941 11.968 -0.464 229 HH11 ARG 29 1HH1 ARG 29 -8.006 10.047 -0.885 230 HH12 ARG 29 2HH1 ARG 29 -8.606 11.159 -2.040 231 HH21 ARG 29 1HH2 ARG 29 -5.561 12.968 -2.344 232 HH22 ARG 29 2HH2 ARG 29 -7.165 12.800 -2.967 233 H THR 30 H THR 30 -7.822 6.189 2.233 234 HA THR 30 HA THR 30 -7.709 4.780 4.759 235 HB THR 30 HB THR 30 -8.524 6.947 5.440 236 HG1 THR 30 1HG THR 30 -10.833 5.636 5.848 237 HG21 THR 30 3HG2 THR 30 -10.807 6.541 3.523 238 HG22 THR 30 1HG2 THR 30 -9.609 7.851 3.561 239 HG23 THR 30 2HG2 THR 30 -10.792 7.721 4.862 240 H ASN 31 H ASN 31 -10.050 3.797 5.009 241 HA ASN 31 HA ASN 31 -10.190 1.687 3.205 242 HB2 ASN 31 1HB ASN 31 -11.257 2.088 5.568 243 HB3 ASN 31 2HB ASN 31 -12.655 2.690 4.679 244 HD21 ASN 31 1HD2 ASN 31 -14.004 1.152 3.594 245 HD22 ASN 31 2HD2 ASN 31 -13.653 -0.572 3.642 246 H ASP 32 H ASP 32 -11.847 4.853 3.053 247 HA ASP 32 HA ASP 32 -13.726 4.177 0.999 248 HB2 ASP 32 1HB ASP 32 -12.296 6.846 1.429 249 HB3 ASP 32 2HB ASP 32 -13.764 6.608 0.500 250 H ASP 33 H ASP 33 -10.331 5.252 0.915 251 HA ASP 33 HA ASP 33 -10.140 5.616 -1.943 252 HB2 ASP 33 1HB ASP 33 -7.952 5.288 0.121 253 HB3 ASP 33 2HB ASP 33 -7.759 5.894 -1.504 254 H TRP 34 H TRP 34 -9.773 2.903 0.230 255 HA TRP 34 HA TRP 34 -8.682 1.053 -1.757 256 HB2 TRP 34 1HB TRP 34 -8.331 0.465 0.490 257 HB3 TRP 34 2HB TRP 34 -9.977 0.749 0.967 258 HD1 TRP 34 HD TRP 34 -11.656 -1.216 0.796 259 HE1 TRP 34 1HE TRP 34 -11.445 -3.696 0.295 260 HE3 TRP 34 3HE TRP 34 -6.899 -1.203 -1.038 261 HZ2 TRP 34 2HZ TRP 34 -9.374 -5.512 -0.733 262 HZ3 TRP 34 3HZ TRP 34 -5.835 -3.289 -1.804 263 HH2 TRP 34 HH TRP 34 -7.071 -5.462 -1.670 264 H GLN 35 H GLN 35 -11.995 1.748 -0.451 265 HA GLN 35 HA GLN 35 -13.294 -0.143 -2.109 266 HB2 GLN 35 1HB GLN 35 -14.473 2.456 -1.038 267 HB3 GLN 35 2HB GLN 35 -15.367 1.086 -1.708 268 HG2 GLN 35 1HG GLN 35 -13.948 -0.241 0.191 269 HG3 GLN 35 2HG GLN 35 -14.001 1.340 0.934 270 HE21 GLN 35 1HE2 GLN 35 -16.164 -1.242 -0.389 271 HE22 GLN 35 2HE2 GLN 35 -17.476 -0.895 0.690 272 H ARG 36 H ARG 36 -12.484 3.276 -2.782 273 HA ARG 36 HA ARG 36 -13.706 3.500 -5.329 274 HB2 ARG 36 1HB ARG 36 -11.229 4.766 -4.146 275 HB3 ARG 36 2HB ARG 36 -11.848 5.239 -5.723 276 HG2 ARG 36 1HG ARG 36 -13.786 6.214 -4.883 277 HG3 ARG 36 2HG ARG 36 -13.780 5.237 -3.408 278 HD2 ARG 36 1HD ARG 36 -11.769 6.458 -2.637 279 HD3 ARG 36 2HD ARG 36 -11.791 7.477 -4.088 280 HE ARG 36 HE ARG 36 -14.251 7.887 -3.063 281 HH11 ARG 36 1HH1 ARG 36 -10.979 8.194 -1.505 282 HH12 ARG 36 2HH1 ARG 36 -11.641 9.025 -0.164 283 HH21 ARG 36 1HH2 ARG 36 -14.960 9.232 -1.346 284 HH22 ARG 36 2HH2 ARG 36 -13.850 9.835 -0.195 285 H PHE 37 H PHE 37 -11.007 1.389 -4.597 286 HA PHE 37 HA PHE 37 -10.202 1.268 -7.432 287 HB2 PHE 37 1HB PHE 37 -8.707 0.760 -5.451 288 HB3 PHE 37 2HB PHE 37 -9.609 -0.693 -5.169 289 HD1 PHE 37 2HD PHE 37 -9.846 -1.952 -7.922 290 HD2 PHE 37 1HD PHE 37 -6.599 0.237 -6.093 291 HE1 PHE 37 2HE PHE 37 -8.209 -3.192 -9.357 292 HE2 PHE 37 1HE PHE 37 -4.992 -1.025 -7.436 293 HZ PHE 37 HZ PHE 37 -5.780 -2.764 -9.045 294 H CYS 38 H CYS 38 -11.711 -1.107 -5.158 295 HA CYS 38 HA CYS 38 -12.552 -2.819 -7.278 296 HB2 CYS 38 1HB CYS 38 -13.707 -4.032 -5.418 297 HB3 CYS 38 2HB CYS 38 -12.009 -3.606 -5.134 298 HG CYS 38 HG CYS 38 -13.066 -3.320 -2.884 299 H ALA 39 H ALA 39 -14.028 -0.090 -5.976 300 HA ALA 39 HA ALA 39 -16.768 -0.613 -6.918 301 HB1 ALA 39 1HB ALA 39 -16.333 0.912 -5.011 302 HB2 ALA 39 2HB ALA 39 -15.429 2.011 -6.081 303 HB3 ALA 39 3HB ALA 39 -17.165 1.748 -6.333 304 H ASP 40 H ASP 40 -13.824 0.661 -8.419 305 HA ASP 40 HA ASP 40 -15.373 1.770 -10.672 306 HB2 ASP 40 1HB ASP 40 -14.015 3.066 -8.409 307 HB3 ASP 40 2HB ASP 40 -13.450 3.681 -9.926 308 H SER 41 H SER 41 -12.946 -0.242 -10.019 309 HA SER 41 HA SER 41 -11.559 0.214 -12.571 310 HB2 SER 41 1HB SER 41 -10.377 1.649 -10.975 311 HB3 SER 41 2HB SER 41 -10.166 0.303 -9.848 312 HG SER 41 HG SER 41 -8.377 0.958 -11.335 313 H LYS 42 H LYS 42 -11.130 -1.577 -9.575 314 HA LYS 42 HA LYS 42 -11.278 -3.741 -8.929 315 HB2 LYS 42 1HB LYS 42 -13.425 -4.571 -9.143 316 HB3 LYS 42 2HB LYS 42 -13.590 -2.823 -9.275 317 HG2 LYS 42 1HG LYS 42 -14.127 -2.892 -11.570 318 HG3 LYS 42 2HG LYS 42 -13.501 -4.519 -11.784 319 HD2 LYS 42 1HD LYS 42 -15.277 -5.370 -10.235 320 HD3 LYS 42 2HD LYS 42 -16.011 -3.740 -10.267 321 HE2 LYS 42 1HE LYS 42 -16.334 -3.892 -12.677 322 HE3 LYS 42 2HE LYS 42 -15.325 -5.331 -12.770 323 HZ1 LYS 42 3HZ LYS 42 -16.967 -6.530 -11.501 324 HZ2 LYS 42 1HZ LYS 42 -17.563 -5.971 -12.901 325 HZ3 LYS 42 2HZ LYS 42 -17.968 -5.212 -11.479 326 H HIS 43 H HIS 43 -9.526 -3.660 -11.476 327 HA HIS 43 HA HIS 43 -10.222 -6.358 -12.528 328 HB2 HIS 43 1HB HIS 43 -10.237 -4.041 -13.793 329 HB3 HIS 43 2HB HIS 43 -8.485 -4.138 -13.583 330 HD1 HIS 43 1HD HIS 43 -11.480 -5.482 -15.547 331 HD2 HIS 43 2HD HIS 43 -7.319 -6.109 -15.282 332 HE1 HIS 43 1HE HIS 43 -10.854 -6.876 -17.574 333 H LEU 44 H LEU 44 -8.272 -5.384 -10.414 334 HA LEU 44 HA LEU 44 -5.935 -7.036 -11.163 335 HB2 LEU 44 1HB LEU 44 -6.278 -4.104 -10.698 336 HB3 LEU 44 2HB LEU 44 -4.783 -4.881 -10.263 337 HG LEU 44 HG LEU 44 -6.026 -4.753 -13.042 338 HD11 LEU 44 1HD1 LEU 44 -4.016 -3.367 -13.425 339 HD12 LEU 44 2HD1 LEU 44 -3.545 -3.622 -11.730 340 HD13 LEU 44 3HD1 LEU 44 -5.048 -2.735 -12.116 341 HD21 LEU 44 3HD2 LEU 44 -3.424 -6.134 -12.163 342 HD22 LEU 44 1HD2 LEU 44 -3.867 -5.719 -13.829 343 HD23 LEU 44 2HD2 LEU 44 -4.822 -6.903 -12.960 344 H LEU 45 H LEU 45 -6.848 -8.505 -9.610 345 HA LEU 45 HA LEU 45 -5.834 -7.901 -6.907 346 HB2 LEU 45 1HB LEU 45 -8.593 -8.835 -7.679 347 HB3 LEU 45 2HB LEU 45 -8.018 -8.819 -5.997 348 HG LEU 45 HG LEU 45 -8.479 -6.421 -7.828 349 HD11 LEU 45 1HD1 LEU 45 -10.548 -7.450 -7.105 350 HD12 LEU 45 2HD1 LEU 45 -10.347 -5.861 -6.350 351 HD13 LEU 45 3HD1 LEU 45 -10.051 -7.337 -5.407 352 HD21 LEU 45 3HD2 LEU 45 -7.593 -4.972 -6.338 353 HD22 LEU 45 1HD2 LEU 45 -6.630 -6.325 -5.815 354 HD23 LEU 45 2HD2 LEU 45 -8.058 -5.969 -4.873 355 H GLN 46 H GLN 46 -4.286 -9.382 -6.885 356 HA GLN 46 HA GLN 46 -4.810 -12.117 -7.994 357 HB2 GLN 46 1HB GLN 46 -2.216 -10.596 -7.859 358 HB3 GLN 46 2HB GLN 46 -2.471 -12.121 -8.668 359 HG2 GLN 46 1HG GLN 46 -3.587 -11.144 -10.480 360 HG3 GLN 46 2HG GLN 46 -4.072 -9.721 -9.593 361 HE21 GLN 46 1HE2 GLN 46 -2.528 -7.938 -9.317 362 HE22 GLN 46 2HE2 GLN 46 -1.190 -7.934 -10.459 363 H TYR 47 H TYR 47 -3.627 -13.858 -6.970 364 HA TYR 47 HA TYR 47 -3.464 -13.711 -4.084 365 HB2 TYR 47 1HB TYR 47 -2.406 -15.879 -5.920 366 HB3 TYR 47 2HB TYR 47 -2.769 -16.020 -4.206 367 HD1 TYR 47 1HD TYR 47 -5.493 -14.791 -3.978 368 HD2 TYR 47 2HD TYR 47 -3.824 -17.408 -6.986 369 HE1 TYR 47 1HE TYR 47 -7.749 -15.578 -4.545 370 HE2 TYR 47 2HE TYR 47 -6.082 -18.208 -7.544 371 HH TYR 47 HH TYR 47 -8.281 -18.300 -6.748 372 H GLY 48 H GLY 48 -1.990 -12.293 -3.409 373 HA2 GLY 48 1HA GLY 48 0.468 -12.387 -2.789 374 HA3 GLY 48 2HA GLY 48 0.813 -12.417 -4.461 375 H ASP 49 H ASP 49 -1.909 -10.437 -3.962 376 HA ASP 49 HA ASP 49 -0.855 -8.230 -5.085 377 HB2 ASP 49 1HB ASP 49 -3.394 -8.959 -3.867 378 HB3 ASP 49 2HB ASP 49 -2.974 -7.325 -3.421 379 H LYS 50 H LYS 50 -0.459 -8.918 -1.847 380 HA LYS 50 HA LYS 50 0.241 -7.927 0.029 381 HB2 LYS 50 1HB LYS 50 2.132 -8.499 -1.565 382 HB3 LYS 50 2HB LYS 50 2.266 -6.654 -1.702 383 HG2 LYS 50 1HG LYS 50 3.043 -6.427 0.396 384 HG3 LYS 50 2HG LYS 50 2.206 -7.857 1.006 385 HD2 LYS 50 1HD LYS 50 4.606 -8.190 -0.788 386 HD3 LYS 50 2HD LYS 50 4.758 -7.884 0.936 387 HE2 LYS 50 1HE LYS 50 3.018 -9.805 1.244 388 HE3 LYS 50 2HE LYS 50 3.426 -10.242 -0.428 389 HZ1 LYS 50 3HZ LYS 50 5.323 -10.024 1.838 390 HZ2 LYS 50 1HZ LYS 50 5.749 -10.426 0.315 391 HZ3 LYS 50 2HZ LYS 50 4.762 -11.422 1.187 392 H LEU 51 H LEU 51 0.063 -6.407 1.495 393 HA LEU 51 HA LEU 51 -0.017 -3.626 0.612 394 HB2 LEU 51 1HB LEU 51 -2.032 -5.287 2.175 395 HB3 LEU 51 2HB LEU 51 -1.770 -3.736 2.859 396 HG LEU 51 HG LEU 51 -2.488 -4.023 -0.077 397 HD11 LEU 51 1HD1 LEU 51 -4.400 -3.744 2.269 398 HD12 LEU 51 2HD1 LEU 51 -4.295 -5.131 1.182 399 HD13 LEU 51 3HD1 LEU 51 -4.850 -3.583 0.557 400 HD21 LEU 51 3HD2 LEU 51 -1.687 -1.783 1.034 401 HD22 LEU 51 1HD2 LEU 51 -3.294 -1.788 1.785 402 HD23 LEU 51 2HD2 LEU 51 -3.161 -1.764 0.032 403 H VAL 52 H VAL 52 0.716 -2.112 2.260 404 HA VAL 52 HA VAL 52 1.637 -3.223 4.838 405 HB VAL 52 HB VAL 52 3.131 -1.238 3.081 406 HG11 VAL 52 1HG1 VAL 52 3.245 -0.462 5.401 407 HG12 VAL 52 2HG1 VAL 52 3.676 -2.094 5.965 408 HG13 VAL 52 3HG1 VAL 52 4.796 -1.163 4.943 409 HG21 VAL 52 3HG2 VAL 52 3.565 -3.672 2.570 410 HG22 VAL 52 1HG2 VAL 52 4.970 -2.813 3.165 411 HG23 VAL 52 2HG2 VAL 52 4.080 -3.881 4.272 412 H ASP 53 H ASP 53 1.004 -1.851 6.533 413 HA ASP 53 HA ASP 53 -0.816 0.364 5.780 414 HB2 ASP 53 1HB ASP 53 -2.122 -0.150 7.612 415 HB3 ASP 53 2HB ASP 53 -1.745 -1.696 6.878 416 H SER 54 H SER 54 -1.029 1.908 7.721 417 HA SER 54 HA SER 54 1.416 3.329 7.988 418 HB2 SER 54 1HB SER 54 -1.344 3.734 8.569 419 HB3 SER 54 2HB SER 54 -0.498 4.010 10.078 420 HG SER 54 HG SER 54 0.886 5.508 8.848 421 H ASN 55 H ASN 55 0.525 0.523 9.688 422 HA ASN 55 HA ASN 55 2.053 1.245 12.128 423 HB2 ASN 55 1HB ASN 55 -0.150 -0.748 11.533 424 HB3 ASN 55 2HB ASN 55 0.999 -1.032 12.838 425 HD21 ASN 55 1HD2 ASN 55 -0.422 -0.725 14.641 426 HD22 ASN 55 2HD2 ASN 55 -1.109 0.844 14.986 427 H PHE 56 H PHE 56 2.622 0.089 9.108 428 HA PHE 56 HA PHE 56 4.313 -0.999 8.105 429 HB2 PHE 56 1HB PHE 56 5.563 -1.362 10.885 430 HB3 PHE 56 2HB PHE 56 6.325 -1.698 9.377 431 HD1 PHE 56 2HD PHE 56 6.721 0.110 7.701 432 HD2 PHE 56 1HD PHE 56 5.650 0.934 11.787 433 HE1 PHE 56 2HE PHE 56 7.913 2.276 7.584 434 HE2 PHE 56 1HE PHE 56 6.689 3.176 11.609 435 HZ PHE 56 HZ PHE 56 7.818 3.853 9.433 436 H HIS 57 H HIS 57 1.857 -2.372 9.360 437 HA HIS 57 HA HIS 57 2.849 -5.088 9.782 438 HB2 HIS 57 1HB HIS 57 0.079 -4.063 9.204 439 HB3 HIS 57 2HB HIS 57 0.510 -5.670 9.789 440 HD1 HIS 57 1HD HIS 57 -1.303 -3.124 11.104 441 HD2 HIS 57 2HD HIS 57 2.422 -4.744 12.245 442 HE1 HIS 57 1HE HIS 57 -1.194 -2.916 13.636 443 H CYS 58 H CYS 58 3.623 -6.266 8.039 444 HA CYS 58 HA CYS 58 2.738 -5.716 5.332 445 HB2 CYS 58 1HB CYS 58 4.213 -8.108 6.515 446 HB3 CYS 58 2HB CYS 58 4.156 -7.712 4.829 447 HG CYS 58 HG CYS 58 6.487 -7.304 6.175 448 H PHE 59 H PHE 59 1.099 -6.726 4.266 449 HA PHE 59 HA PHE 59 -0.175 -9.165 5.340 450 HB2 PHE 59 1HB PHE 59 -1.463 -6.557 4.437 451 HB3 PHE 59 2HB PHE 59 -2.368 -8.030 4.694 452 HD1 PHE 59 1HD PHE 59 -1.665 -9.183 7.102 453 HD2 PHE 59 2HD PHE 59 -1.652 -5.003 6.149 454 HE1 PHE 59 1HE PHE 59 -1.712 -8.641 9.525 455 HE2 PHE 59 2HE PHE 59 -1.950 -4.452 8.537 456 HZ PHE 59 HZ PHE 59 -1.881 -6.228 10.246 457 H VAL 60 H VAL 60 -1.243 -10.456 3.603 458 HA VAL 60 HA VAL 60 -1.497 -9.201 0.968 459 HB VAL 60 HB VAL 60 0.657 -9.957 0.852 460 HG11 VAL 60 1HG1 VAL 60 1.470 -12.182 0.904 461 HG12 VAL 60 2HG1 VAL 60 0.967 -11.635 2.522 462 HG13 VAL 60 3HG1 VAL 60 -0.087 -12.756 1.594 463 HG21 VAL 60 3HG2 VAL 60 -0.898 -12.166 -0.499 464 HG22 VAL 60 1HG2 VAL 60 -0.927 -10.494 -1.098 465 HG23 VAL 60 2HG2 VAL 60 0.622 -11.372 -1.047 466 H LEU 61 H LEU 61 -2.830 -10.266 -0.496 467 HA LEU 61 HA LEU 61 -5.163 -11.635 0.575 468 HB2 LEU 61 1HB LEU 61 -5.463 -10.005 -1.286 469 HB3 LEU 61 2HB LEU 61 -4.313 -10.830 -2.236 470 HG LEU 61 HG LEU 61 -5.891 -12.859 -2.316 471 HD11 LEU 61 1HD1 LEU 61 -7.777 -10.849 -0.971 472 HD12 LEU 61 2HD1 LEU 61 -7.346 -12.464 -0.412 473 HD13 LEU 61 3HD1 LEU 61 -8.317 -12.291 -1.850 474 HD21 LEU 61 3HD2 LEU 61 -7.159 -10.341 -3.422 475 HD22 LEU 61 1HD2 LEU 61 -7.276 -12.001 -4.008 476 HD23 LEU 61 2HD2 LEU 61 -5.744 -11.138 -4.146 477 H GLU 62 H GLU 62 -5.567 -13.753 0.526 478 HA GLU 62 HA GLU 62 -3.591 -15.584 -0.707 479 HB2 GLU 62 1HB GLU 62 -5.245 -15.918 1.658 480 HB3 GLU 62 2HB GLU 62 -4.303 -17.201 0.917 481 HG2 GLU 62 1HG GLU 62 -2.986 -14.530 1.643 482 HG3 GLU 62 2HG GLU 62 -3.310 -15.789 2.773 483 H GLU 63 H GLU 63 -4.793 -17.761 -1.235 484 HA GLU 63 HA GLU 63 -6.747 -17.443 -3.200 485 HB2 GLU 63 1HB GLU 63 -6.149 -19.988 -1.684 486 HB3 GLU 63 2HB GLU 63 -6.708 -19.823 -3.347 487 HG2 GLU 63 1HG GLU 63 -4.543 -18.720 -3.946 488 HG3 GLU 63 2HG GLU 63 -3.961 -18.980 -2.290 489 H ASP 64 H ASP 64 -7.143 -17.764 0.193 490 HA ASP 64 HA ASP 64 -9.858 -18.857 0.147 491 HB2 ASP 64 1HB ASP 64 -7.806 -18.940 1.981 492 HB3 ASP 64 2HB ASP 64 -8.711 -17.549 2.575 493 H ALA 65 H ALA 65 -8.733 -16.002 -0.761 494 HA ALA 65 HA ALA 65 -9.498 -14.007 -1.203 495 HB1 ALA 65 1HB ALA 65 -11.828 -13.366 -1.070 496 HB2 ALA 65 2HB ALA 65 -11.694 -15.033 -1.669 497 HB3 ALA 65 3HB ALA 65 -12.190 -14.723 0.007 498 H HIS 66 H HIS 66 -9.005 -15.073 1.924 499 HA HIS 66 HA HIS 66 -9.479 -12.481 3.161 500 HB2 HIS 66 1HB HIS 66 -8.468 -13.470 5.191 501 HB3 HIS 66 2HB HIS 66 -9.773 -14.463 4.552 502 HD1 HIS 66 1HD HIS 66 -8.971 -16.798 5.419 503 HD2 HIS 66 2HD HIS 66 -6.008 -14.601 3.355 504 HE1 HIS 66 1HE HIS 66 -7.055 -18.404 4.931 505 H TRP 67 H TRP 67 -7.637 -11.537 4.484 506 HA TRP 67 HA TRP 67 -5.185 -11.433 2.825 507 HB2 TRP 67 1HB TRP 67 -6.604 -9.209 4.317 508 HB3 TRP 67 2HB TRP 67 -4.877 -9.163 4.010 509 HD1 TRP 67 HD TRP 67 -8.053 -9.662 1.811 510 HE1 TRP 67 1HE TRP 67 -7.566 -8.585 -0.530 511 HE3 TRP 67 3HE TRP 67 -3.257 -8.110 2.525 512 HZ2 TRP 67 2HZ TRP 67 -5.522 -7.075 -1.789 513 HZ3 TRP 67 3HZ TRP 67 -2.022 -7.044 0.689 514 HH2 TRP 67 HH TRP 67 -3.128 -6.469 -1.448 515 H HIS 68 H HIS 68 -3.294 -11.767 3.976 516 HA HIS 68 HA HIS 68 -3.599 -12.684 6.784 517 HB2 HIS 68 1HB HIS 68 -2.772 -14.063 4.231 518 HB3 HIS 68 2HB HIS 68 -1.824 -14.429 5.647 519 HD1 HIS 68 1HD HIS 68 -5.395 -13.805 6.678 520 HD2 HIS 68 2HD HIS 68 -2.866 -16.994 5.552 521 HE1 HIS 68 1HE HIS 68 -6.424 -15.921 7.613 522 HA PRO 69 HA PRO 69 -0.103 -10.366 7.755 523 HB2 PRO 69 1HB PRO 69 0.957 -11.634 9.913 524 HB3 PRO 69 2HB PRO 69 -0.687 -10.914 9.940 525 HG2 PRO 69 1HG PRO 69 0.063 -13.796 9.400 526 HG3 PRO 69 2HG PRO 69 -1.139 -13.179 10.579 527 HD2 PRO 69 1HD PRO 69 -1.870 -14.038 8.099 528 HD3 PRO 69 2HD PRO 69 -2.645 -12.598 8.839 529 H ALA 70 H ALA 70 1.982 -10.022 7.315 530 HA ALA 70 HA ALA 70 3.790 -12.298 6.671 531 HB1 ALA 70 1HB ALA 70 3.268 -9.786 5.049 532 HB2 ALA 70 2HB ALA 70 4.507 -11.018 4.693 533 HB3 ALA 70 3HB ALA 70 2.792 -11.431 4.614 534 H ALA 71 H ALA 71 3.703 -10.942 9.186 535 HA ALA 71 HA ALA 71 5.085 -10.160 10.755 536 HB1 ALA 71 1HB ALA 71 7.359 -10.071 8.751 537 HB2 ALA 71 2HB ALA 71 7.455 -10.262 10.505 538 HB3 ALA 71 3HB ALA 71 6.780 -11.571 9.527 539 HA PRO 72 HA PRO 72 5.157 -5.715 10.101 540 HB2 PRO 72 1HB PRO 72 6.962 -4.713 11.868 541 HB3 PRO 72 2HB PRO 72 5.373 -5.404 12.379 542 HG2 PRO 72 1HG PRO 72 8.071 -6.761 12.364 543 HG3 PRO 72 2HG PRO 72 6.845 -6.729 13.670 544 HD2 PRO 72 1HD PRO 72 7.059 -8.828 11.957 545 HD3 PRO 72 2HD PRO 72 5.474 -8.282 12.567 546 H LEU 73 H LEU 73 6.731 -3.867 9.632 547 HA LEU 73 HA LEU 73 8.973 -4.840 7.948 548 HB2 LEU 73 1HB LEU 73 6.728 -3.854 6.959 549 HB3 LEU 73 2HB LEU 73 7.333 -2.320 7.517 550 HG LEU 73 HG LEU 73 9.297 -2.495 6.032 551 HD11 LEU 73 1HD1 LEU 73 9.449 -4.179 4.286 552 HD12 LEU 73 2HD1 LEU 73 7.927 -4.932 4.804 553 HD13 LEU 73 3HD1 LEU 73 9.353 -5.069 5.812 554 HD21 LEU 73 3HD2 LEU 73 7.095 -1.461 5.308 555 HD22 LEU 73 1HD2 LEU 73 6.712 -2.987 4.515 556 HD23 LEU 73 2HD2 LEU 73 8.109 -2.034 3.971 557 HA PRO 74 HA PRO 74 11.503 -1.775 10.179 558 HB2 PRO 74 1HB PRO 74 13.565 -1.342 8.432 559 HB3 PRO 74 2HB PRO 74 13.366 -2.904 9.290 560 HG2 PRO 74 1HG PRO 74 12.373 -2.217 6.516 561 HG3 PRO 74 2HG PRO 74 13.429 -3.569 6.976 562 HD2 PRO 74 1HD PRO 74 10.796 -3.929 6.777 563 HD3 PRO 74 2HD PRO 74 11.633 -4.645 8.175 564 HA PRO 75 HA PRO 75 10.181 2.096 8.480 565 HB2 PRO 75 1HB PRO 75 12.030 3.923 9.328 566 HB3 PRO 75 2HB PRO 75 10.891 3.079 10.425 567 HG2 PRO 75 1HG PRO 75 13.769 2.318 9.798 568 HG3 PRO 75 2HG PRO 75 13.008 2.537 11.407 569 HD2 PRO 75 1HD PRO 75 13.227 0.073 10.297 570 HD3 PRO 75 2HD PRO 75 11.746 0.524 11.179 571 H GLU 76 H GLU 76 13.471 1.018 7.602 572 HA GLU 76 HA GLU 76 13.712 2.924 5.381 573 HB2 GLU 76 1HB GLU 76 15.392 0.482 6.134 574 HB3 GLU 76 2HB GLU 76 15.761 1.691 4.885 575 HG2 GLU 76 1HG GLU 76 15.491 3.403 6.833 576 HG3 GLU 76 2HG GLU 76 15.746 2.011 7.884 577 H GLY 77 H GLY 77 12.399 -0.143 6.025 578 HA2 GLY 77 1HA GLY 77 12.353 -1.291 3.400 579 HA3 GLY 77 2HA GLY 77 11.160 -1.633 4.680 580 H LEU 78 H LEU 78 10.805 1.482 4.696 581 HA LEU 78 HA LEU 78 8.477 1.732 2.998 582 HB2 LEU 78 1HB LEU 78 8.771 3.075 5.037 583 HB3 LEU 78 2HB LEU 78 10.305 3.705 4.444 584 HG LEU 78 HG LEU 78 9.249 5.009 2.743 585 HD11 LEU 78 1HD1 LEU 78 6.791 5.226 2.605 586 HD12 LEU 78 2HD1 LEU 78 6.604 3.963 3.848 587 HD13 LEU 78 3HD1 LEU 78 7.269 3.572 2.236 588 HD21 LEU 78 3HD2 LEU 78 8.035 6.594 4.260 589 HD22 LEU 78 1HD2 LEU 78 9.477 5.938 5.053 590 HD23 LEU 78 2HD2 LEU 78 7.904 5.313 5.476 591 H ASN 79 H ASN 79 11.830 3.040 2.904 592 HA ASN 79 HA ASN 79 11.733 4.181 0.356 593 HB2 ASN 79 1HB ASN 79 14.188 3.039 1.745 594 HB3 ASN 79 2HB ASN 79 14.144 4.298 0.515 595 HD21 ASN 79 1HD2 ASN 79 13.946 6.598 1.266 596 HD22 ASN 79 2HD2 ASN 79 13.997 6.806 2.984 597 H ASP 80 H ASP 80 12.279 0.795 1.285 598 HA ASP 80 HA ASP 80 13.357 -0.116 -1.261 599 HB2 ASP 80 1HB ASP 80 11.749 -1.542 0.911 600 HB3 ASP 80 2HB ASP 80 12.106 -2.322 -0.607 601 H LEU 81 H LEU 81 10.010 0.212 0.009 602 HA LEU 81 HA LEU 81 8.789 -0.855 -2.409 603 HB2 LEU 81 1HB LEU 81 7.756 0.615 0.046 604 HB3 LEU 81 2HB LEU 81 6.762 0.498 -1.372 605 HG LEU 81 HG LEU 81 6.081 -1.181 0.090 606 HD11 LEU 81 1HD1 LEU 81 6.124 -3.121 -1.264 607 HD12 LEU 81 2HD1 LEU 81 7.603 -2.615 -2.105 608 HD13 LEU 81 3HD1 LEU 81 6.075 -1.703 -2.319 609 HD21 LEU 81 3HD2 LEU 81 8.043 -1.435 1.406 610 HD22 LEU 81 1HD2 LEU 81 8.913 -2.223 0.066 611 HD23 LEU 81 2HD2 LEU 81 7.507 -3.023 0.824 612 H ILE 82 H ILE 82 9.147 2.401 -1.067 613 HA ILE 82 HA ILE 82 8.093 3.851 -3.235 614 HB ILE 82 HB ILE 82 10.111 4.522 -1.088 615 HG12 ILE 82 1HG1 ILE 82 7.733 3.869 -0.440 616 HG13 ILE 82 2HG1 ILE 82 8.322 5.384 0.176 617 HG21 ILE 82 1HG2 ILE 82 9.635 6.930 -1.487 618 HG22 ILE 82 2HG2 ILE 82 10.534 6.163 -2.794 619 HG23 ILE 82 3HG2 ILE 82 8.801 6.484 -2.998 620 HD11 ILE 82 3HD1 ILE 82 6.947 6.646 -1.356 621 HD12 ILE 82 1HD1 ILE 82 6.594 5.215 -2.328 622 HD13 ILE 82 2HD1 ILE 82 5.927 5.355 -0.694 623 H ARG 83 H ARG 83 11.404 2.527 -2.820 624 HA ARG 83 HA ARG 83 12.781 3.772 -4.799 625 HB2 ARG 83 1HB ARG 83 13.023 1.341 -3.342 626 HB3 ARG 83 2HB ARG 83 13.195 0.848 -4.987 627 HG2 ARG 83 1HG ARG 83 14.623 3.163 -3.683 628 HG3 ARG 83 2HG ARG 83 15.296 1.548 -3.809 629 HD2 ARG 83 1HD ARG 83 15.530 1.734 -6.201 630 HD3 ARG 83 2HD ARG 83 14.563 3.225 -6.247 631 HE ARG 83 HE ARG 83 16.339 4.109 -4.609 632 HH11 ARG 83 1HH1 ARG 83 17.064 2.284 -7.595 633 HH12 ARG 83 2HH1 ARG 83 18.762 2.592 -7.504 634 HH21 ARG 83 1HH2 ARG 83 18.525 4.645 -4.625 635 HH22 ARG 83 2HH2 ARG 83 19.577 4.102 -5.884 636 H ALA 84 H ALA 84 10.631 0.933 -5.357 637 HA ALA 84 HA ALA 84 11.282 1.020 -8.124 638 HB1 ALA 84 1HB ALA 84 8.926 -0.446 -6.874 639 HB2 ALA 84 2HB ALA 84 9.787 -0.823 -8.391 640 HB3 ALA 84 3HB ALA 84 10.611 -1.028 -6.842 641 H HIS 85 H HIS 85 8.594 2.367 -6.303 642 HA HIS 85 HA HIS 85 6.962 3.178 -8.487 643 HB2 HIS 85 1HB HIS 85 6.162 3.131 -6.270 644 HB3 HIS 85 2HB HIS 85 7.368 4.282 -5.701 645 HD1 HIS 85 1HD HIS 85 3.870 4.267 -7.212 646 HD2 HIS 85 2HD HIS 85 7.108 6.894 -6.465 647 HE1 HIS 85 1HE HIS 85 2.935 6.578 -7.342 648 H CYS 86 H CYS 86 9.571 4.966 -6.706 649 HA CYS 86 HA CYS 86 9.441 7.270 -8.401 650 HB2 CYS 86 1HB CYS 86 11.629 6.091 -6.647 651 HB3 CYS 86 2HB CYS 86 11.682 7.721 -7.365 652 HG CYS 86 HG CYS 86 9.323 8.494 -6.362 653 H ALA 87 H ALA 87 11.381 4.225 -8.541 654 HA ALA 87 HA ALA 87 13.031 5.121 -10.679 655 HB1 ALA 87 1HB ALA 87 13.617 3.269 -9.175 656 HB2 ALA 87 2HB ALA 87 12.280 2.300 -9.833 657 HB3 ALA 87 3HB ALA 87 13.644 2.751 -10.881 658 H THR 88 H THR 88 9.853 3.465 -10.702 659 HA THR 88 HA THR 88 10.012 2.966 -13.546 660 HB THR 88 HB THR 88 8.631 1.594 -12.090 661 HG1 THR 88 1HG THR 88 6.854 2.788 -13.874 662 HG21 THR 88 3HG2 THR 88 6.269 2.276 -11.526 663 HG22 THR 88 1HG2 THR 88 6.722 3.955 -11.846 664 HG23 THR 88 2HG2 THR 88 7.515 3.046 -10.558 665 H LEU 89 H LEU 89 8.864 5.682 -11.610 666 HA LEU 89 HA LEU 89 7.751 7.111 -13.904 667 HB2 LEU 89 1HB LEU 89 8.382 8.012 -11.060 668 HB3 LEU 89 2HB LEU 89 7.492 8.958 -12.260 669 HG LEU 89 HG LEU 89 6.544 6.225 -11.303 670 HD11 LEU 89 1HD1 LEU 89 5.667 8.956 -10.281 671 HD12 LEU 89 2HD1 LEU 89 6.634 7.761 -9.385 672 HD13 LEU 89 3HD1 LEU 89 4.976 7.370 -9.842 673 HD21 LEU 89 3HD2 LEU 89 5.582 6.962 -13.460 674 HD22 LEU 89 1HD2 LEU 89 5.047 8.479 -12.703 675 HD23 LEU 89 2HD2 LEU 89 4.364 6.925 -12.179 676 H GLY 90 H GLY 90 10.610 7.585 -11.800 677 HA2 GLY 90 1HA GLY 90 12.753 8.021 -13.175 678 HA3 GLY 90 2HA GLY 90 11.837 9.386 -13.817 679 H HIS 91 H HIS 91 11.113 8.803 -10.458 680 HA HIS 91 HA HIS 91 12.556 11.303 -9.753 681 HB2 HIS 91 1HB HIS 91 10.245 9.750 -8.566 682 HB3 HIS 91 2HB HIS 91 11.176 10.843 -7.552 683 HD1 HIS 91 1HD HIS 91 11.384 13.515 -8.584 684 HD2 HIS 91 2HD HIS 91 8.328 10.927 -9.954 685 HE1 HIS 91 1HE HIS 91 9.684 14.956 -9.776 686 H CYS 92 H CYS 92 13.526 11.298 -7.499 687 HA CYS 92 HA CYS 92 14.616 8.691 -6.645 688 HB2 CYS 92 1HB CYS 92 16.266 11.015 -7.649 689 HB3 CYS 92 2HB CYS 92 16.896 9.999 -6.344 690 HG CYS 92 HG CYS 92 15.814 9.024 -9.316 691 H CYS 93 H CYS 93 13.764 11.886 -5.741 692 HA CYS 93 HA CYS 93 13.490 11.362 -2.924 693 HB2 CYS 93 1HB CYS 93 16.235 12.080 -3.867 694 HB3 CYS 93 2HB CYS 93 15.629 13.189 -2.650 695 HG CYS 93 HG CYS 93 15.295 11.652 -0.741 696 H THR 94 H THR 94 13.495 13.391 -1.645 697 HA THR 94 HA THR 94 12.769 15.825 -3.064 698 HB THR 94 HB THR 94 10.755 14.548 -3.063 699 HG1 THR 94 1HG THR 94 9.637 16.157 -2.658 700 HG21 THR 94 3HG2 THR 94 11.198 13.063 -1.100 701 HG22 THR 94 1HG2 THR 94 9.561 13.725 -1.191 702 HG23 THR 94 2HG2 THR 94 10.699 14.415 -0.038 703 H SER 95 H SER 95 12.495 14.662 0.401 704 HA SER 95 HA SER 95 14.839 16.200 1.171 705 HB2 SER 95 1HB SER 95 13.284 17.494 2.826 706 HB3 SER 95 2HB SER 95 13.414 18.042 1.157 707 HG SER 95 HG SER 95 11.271 16.381 2.071 708 H LYS 96 H LYS 96 14.875 16.113 3.752 709 HA LYS 96 HA LYS 96 14.534 15.153 5.772 710 HB2 LYS 96 1HB LYS 96 12.251 15.846 4.997 711 HB3 LYS 96 2HB LYS 96 11.947 14.169 4.535 712 HG2 LYS 96 1HG LYS 96 11.896 13.442 6.829 713 HG3 LYS 96 2HG LYS 96 12.559 15.004 7.402 714 HD2 LYS 96 1HD LYS 96 10.573 16.178 6.689 715 HD3 LYS 96 2HD LYS 96 9.999 14.761 5.786 716 HE2 LYS 96 1HE LYS 96 10.022 13.633 8.174 717 HE3 LYS 96 2HE LYS 96 9.939 15.297 8.747 718 HZ1 LYS 96 3HZ LYS 96 8.047 14.043 6.809 719 HZ2 LYS 96 1HZ LYS 96 7.972 15.601 7.326 720 HZ3 LYS 96 2HZ LYS 96 7.701 14.348 8.368 721 H MET 97 H MET 97 15.769 13.400 3.616 722 HA MET 97 HA MET 97 16.312 11.355 3.016 723 HB2 MET 97 1HB MET 97 17.141 11.183 5.361 724 HB3 MET 97 2HB MET 97 15.624 10.411 5.792 725 HG2 MET 97 1HG MET 97 17.600 9.446 3.683 726 HG3 MET 97 2HG MET 97 17.531 8.848 5.329 727 HE1 MET 97 3HE MET 97 14.267 8.459 5.787 728 HE2 MET 97 1HE MET 97 14.096 6.780 5.263 729 HE3 MET 97 2HE MET 97 15.451 7.246 6.295 730 H HIS 98 H HIS 98 14.653 11.540 1.580 731 HA HIS 98 HA HIS 98 12.810 11.023 0.396 732 HB2 HIS 98 1HB HIS 98 13.018 8.564 2.104 733 HB3 HIS 98 2HB HIS 98 11.741 8.792 0.923 734 HD1 HIS 98 1HD HIS 98 15.644 8.442 0.814 735 HD2 HIS 98 2HD HIS 98 12.069 8.167 -1.387 736 HE1 HIS 98 1HE HIS 98 16.268 7.364 -1.349 737 H LEU 99 H LEU 99 11.675 9.446 3.316 738 HA LEU 99 HA LEU 99 9.273 11.173 3.632 739 HB2 LEU 99 1HB LEU 99 9.243 8.210 2.925 740 HB3 LEU 99 2HB LEU 99 7.836 9.209 3.239 741 HG LEU 99 HG LEU 99 9.746 9.616 0.850 742 HD11 LEU 99 1HD1 LEU 99 8.133 8.560 -0.515 743 HD12 LEU 99 2HD1 LEU 99 7.077 8.234 0.878 744 HD13 LEU 99 3HD1 LEU 99 8.646 7.453 0.765 745 HD21 LEU 99 3HD2 LEU 99 6.922 10.714 1.361 746 HD22 LEU 99 1HD2 LEU 99 7.999 11.065 -0.017 747 HD23 LEU 99 2HD2 LEU 99 8.404 11.654 1.583 748 H HIS 100 H HIS 100 8.751 11.273 5.739 749 HA HIS 100 HA HIS 100 10.480 10.086 7.665 750 HB2 HIS 100 1HB HIS 100 8.974 12.185 7.634 751 HB3 HIS 100 2HB HIS 100 7.721 11.157 8.283 752 HD1 HIS 100 1HD HIS 100 7.615 11.489 10.797 753 HD2 HIS 100 2HD HIS 100 11.487 11.915 9.207 754 HE1 HIS 100 1HE HIS 100 9.131 12.169 12.753 755 H SER 101 H SER 101 7.217 9.380 6.554 756 HA SER 101 HA SER 101 7.163 6.713 7.718 757 HB2 SER 101 1HB SER 101 5.288 8.907 8.688 758 HB3 SER 101 2HB SER 101 5.040 7.178 8.994 759 HG SER 101 HG SER 101 6.072 8.301 10.717 760 H VAL 102 H VAL 102 4.977 5.641 7.156 761 HA VAL 102 HA VAL 102 4.146 5.707 4.562 762 HB VAL 102 HB VAL 102 2.360 5.149 6.970 763 HG11 VAL 102 1HG1 VAL 102 2.281 3.948 4.175 764 HG12 VAL 102 2HG1 VAL 102 1.220 3.523 5.535 765 HG13 VAL 102 3HG1 VAL 102 1.115 5.128 4.827 766 HG21 VAL 102 3HG2 VAL 102 4.574 3.463 5.757 767 HG22 VAL 102 1HG2 VAL 102 4.240 3.812 7.463 768 HG23 VAL 102 2HG2 VAL 102 3.212 2.698 6.579 769 H MET 103 H MET 103 2.836 7.655 7.245 770 HA MET 103 HA MET 103 0.794 8.992 5.944 771 HB2 MET 103 1HB MET 103 1.483 9.040 8.403 772 HB3 MET 103 2HB MET 103 2.788 10.135 7.989 773 HG2 MET 103 1HG MET 103 0.868 11.327 8.870 774 HG3 MET 103 2HG MET 103 1.266 11.839 7.265 775 HE1 MET 103 3HE MET 103 -1.210 9.145 9.084 776 HE2 MET 103 1HE MET 103 -2.257 8.820 7.686 777 HE3 MET 103 2HE MET 103 -0.560 8.358 7.629 778 H ASP 104 H ASP 104 4.271 9.757 5.784 779 HA ASP 104 HA ASP 104 3.865 12.295 4.399 780 HB2 ASP 104 1HB ASP 104 6.281 10.516 4.914 781 HB3 ASP 104 2HB ASP 104 6.360 11.727 3.660 782 H ALA 105 H ALA 105 4.522 8.905 3.621 783 HA ALA 105 HA ALA 105 5.171 9.203 0.897 784 HB1 ALA 105 1HB ALA 105 5.639 7.196 2.379 785 HB2 ALA 105 2HB ALA 105 3.928 6.748 2.247 786 HB3 ALA 105 3HB ALA 105 4.936 6.778 0.798 787 H ILE 106 H ILE 106 1.990 8.443 2.403 788 HA ILE 106 HA ILE 106 0.590 7.966 -0.029 789 HB ILE 106 HB ILE 106 -0.214 9.086 2.679 790 HG12 ILE 106 1HG1 ILE 106 0.637 6.716 2.577 791 HG13 ILE 106 2HG1 ILE 106 -0.932 6.978 3.284 792 HG21 ILE 106 1HG2 ILE 106 -2.575 8.540 2.196 793 HG22 ILE 106 2HG2 ILE 106 -1.966 9.877 1.234 794 HG23 ILE 106 3HG2 ILE 106 -2.157 8.282 0.481 795 HD11 ILE 106 3HD1 ILE 106 -0.461 5.888 0.512 796 HD12 ILE 106 1HD1 ILE 106 -0.870 4.970 1.985 797 HD13 ILE 106 2HD1 ILE 106 -2.049 6.096 1.304 798 H ASP 107 H ASP 107 1.281 10.981 1.775 799 HA ASP 107 HA ASP 107 -0.270 12.744 0.143 800 HB2 ASP 107 1HB ASP 107 0.678 13.018 2.538 801 HB3 ASP 107 2HB ASP 107 2.141 13.561 1.726 802 H PHE 108 H PHE 108 3.163 11.914 0.263 803 HA PHE 108 HA PHE 108 4.185 13.510 -1.807 804 HB2 PHE 108 1HB PHE 108 5.615 12.269 -0.273 805 HB3 PHE 108 2HB PHE 108 5.007 10.742 -0.864 806 HD1 PHE 108 1HD PHE 108 6.496 13.824 -2.509 807 HD2 PHE 108 2HD PHE 108 6.605 9.534 -2.043 808 HE1 PHE 108 1HE PHE 108 8.366 13.673 -4.130 809 HE2 PHE 108 2HE PHE 108 8.481 9.400 -3.640 810 HZ PHE 108 HZ PHE 108 9.367 11.484 -4.698 811 H LEU 109 H LEU 109 3.268 9.970 -2.198 812 HA LEU 109 HA LEU 109 3.284 9.836 -4.925 813 HB2 LEU 109 1HB LEU 109 1.693 8.464 -2.708 814 HB3 LEU 109 2HB LEU 109 1.357 8.139 -4.406 815 HG LEU 109 HG LEU 109 3.843 7.776 -4.695 816 HD11 LEU 109 1HD1 LEU 109 4.701 8.555 -2.565 817 HD12 LEU 109 2HD1 LEU 109 5.236 6.961 -3.077 818 HD13 LEU 109 3HD1 LEU 109 4.007 7.110 -1.785 819 HD21 LEU 109 3HD2 LEU 109 3.599 5.380 -4.045 820 HD22 LEU 109 1HD2 LEU 109 2.100 5.977 -4.746 821 HD23 LEU 109 2HD2 LEU 109 2.233 5.839 -2.977 822 H ASN 110 H ASN 110 0.543 10.908 -2.873 823 HA ASN 110 HA ASN 110 -1.242 11.193 -5.088 824 HB2 ASN 110 1HB ASN 110 -1.180 12.187 -2.239 825 HB3 ASN 110 2HB ASN 110 -2.188 13.073 -3.354 826 HD21 ASN 110 1HD2 ASN 110 -1.740 9.967 -1.746 827 HD22 ASN 110 2HD2 ASN 110 -3.342 9.340 -2.187 828 H ALA 111 H ALA 111 1.157 13.440 -3.700 829 HA ALA 111 HA ALA 111 0.248 15.662 -5.298 830 HB1 ALA 111 1HB ALA 111 1.398 16.012 -3.177 831 HB2 ALA 111 2HB ALA 111 2.861 15.214 -3.807 832 HB3 ALA 111 3HB ALA 111 2.311 16.756 -4.499 833 H LEU 112 H LEU 112 2.412 12.946 -5.832 834 HA LEU 112 HA LEU 112 4.089 14.099 -7.869 835 HB2 LEU 112 1HB LEU 112 3.372 11.226 -7.163 836 HB3 LEU 112 2HB LEU 112 4.353 11.611 -8.544 837 HG LEU 112 HG LEU 112 5.055 12.275 -5.660 838 HD11 LEU 112 1HD1 LEU 112 5.131 9.858 -6.171 839 HD12 LEU 112 2HD1 LEU 112 6.753 10.505 -5.930 840 HD13 LEU 112 3HD1 LEU 112 6.158 10.174 -7.575 841 HD21 LEU 112 3HD2 LEU 112 6.654 12.626 -8.211 842 HD22 LEU 112 1HD2 LEU 112 7.332 12.764 -6.575 843 HD23 LEU 112 2HD2 LEU 112 6.110 13.911 -7.106 844 H GLU 113 H GLU 113 1.273 11.974 -8.143 845 HA GLU 113 HA GLU 113 -0.031 11.323 -9.839 846 HB2 GLU 113 1HB GLU 113 -0.653 13.715 -8.837 847 HB3 GLU 113 2HB GLU 113 -0.337 14.213 -10.496 848 HG2 GLU 113 1HG GLU 113 -1.964 11.953 -10.825 849 HG3 GLU 113 2HG GLU 113 -2.559 12.593 -9.314 850 H GLY 114 H GLY 114 2.797 11.772 -10.907 851 HA2 GLY 114 1HA GLY 114 3.471 10.665 -12.898 852 HA3 GLY 114 2HA GLY 114 1.909 11.098 -13.608 Start of MODEL 12 1 H1 MET 1 H MET 1 -17.732 -12.222 10.889 2 HA MET 1 HA MET 1 -16.857 -11.336 12.993 3 HB2 MET 1 1HB MET 1 -15.948 -13.021 14.619 4 HB3 MET 1 2HB MET 1 -17.678 -12.802 14.593 5 HG2 MET 1 1HG MET 1 -16.216 -15.142 13.322 6 HG3 MET 1 2HG MET 1 -16.966 -15.148 14.906 7 HE1 MET 1 3HE MET 1 -19.533 -15.181 15.388 8 HE2 MET 1 1HE MET 1 -19.732 -13.636 14.517 9 HE3 MET 1 2HE MET 1 -20.785 -15.018 14.138 10 H GLY 2 H GLY 2 -15.305 -10.558 11.499 11 HA2 GLY 2 1HA GLY 2 -12.862 -11.286 10.870 12 HA3 GLY 2 2HA GLY 2 -13.698 -12.601 10.070 13 H ALA 3 H ALA 3 -13.419 -9.092 10.189 14 HA ALA 3 HA ALA 3 -13.896 -7.429 8.715 15 HB1 ALA 3 1HB ALA 3 -12.448 -7.737 6.719 16 HB2 ALA 3 2HB ALA 3 -11.709 -8.384 8.177 17 HB3 ALA 3 3HB ALA 3 -12.458 -9.485 6.996 18 H GLY 4 H GLY 4 -14.071 -7.657 5.832 19 HA2 GLY 4 1HA GLY 4 -16.329 -9.044 4.842 20 HA3 GLY 4 2HA GLY 4 -16.855 -7.403 5.292 21 H GLN 5 H GLN 5 -16.224 -5.671 4.109 22 HA GLN 5 HA GLN 5 -15.007 -6.211 1.503 23 HB2 GLN 5 1HB GLN 5 -16.231 -3.672 2.673 24 HB3 GLN 5 2HB GLN 5 -15.799 -3.954 0.982 25 HG2 GLN 5 1HG GLN 5 -17.415 -5.981 1.096 26 HG3 GLN 5 2HG GLN 5 -18.061 -5.200 2.548 27 HE21 GLN 5 1HE2 GLN 5 -19.472 -5.723 0.094 28 HE22 GLN 5 2HE2 GLN 5 -19.932 -4.163 -0.587 29 H THR 6 H THR 6 -13.538 -6.056 4.184 30 HA THR 6 HA THR 6 -11.510 -4.002 3.599 31 HB THR 6 HB THR 6 -11.076 -4.661 6.180 32 HG1 THR 6 1HG THR 6 -12.959 -5.194 7.224 33 HG21 THR 6 3HG2 THR 6 -12.508 -2.790 6.830 34 HG22 THR 6 1HG2 THR 6 -13.346 -2.867 5.256 35 HG23 THR 6 2HG2 THR 6 -11.625 -2.420 5.348 36 HA PRO 7 HA PRO 7 -8.701 -7.341 3.209 37 HB2 PRO 7 1HB PRO 7 -6.276 -6.221 3.856 38 HB3 PRO 7 2HB PRO 7 -7.194 -5.789 2.386 39 HG2 PRO 7 1HG PRO 7 -7.110 -4.289 5.020 40 HG3 PRO 7 2HG PRO 7 -6.974 -3.641 3.358 41 HD2 PRO 7 1HD PRO 7 -9.329 -3.631 4.746 42 HD3 PRO 7 2HD PRO 7 -9.260 -3.823 2.965 43 H HIS 8 H HIS 8 -7.975 -5.476 6.247 44 HA HIS 8 HA HIS 8 -8.270 -7.868 7.902 45 HB2 HIS 8 1HB HIS 8 -5.813 -7.580 7.047 46 HB3 HIS 8 2HB HIS 8 -5.758 -6.139 8.036 47 HD1 HIS 8 1HD HIS 8 -4.956 -6.631 10.488 48 HD2 HIS 8 2HD HIS 8 -6.426 -9.988 8.401 49 HE1 HIS 8 1HE HIS 8 -4.921 -8.553 12.129 50 HA PRO 9 HA PRO 9 -9.928 -4.473 10.373 51 HB2 PRO 9 1HB PRO 9 -9.849 -5.494 12.927 52 HB3 PRO 9 2HB PRO 9 -11.029 -6.023 11.685 53 HG2 PRO 9 1HG PRO 9 -8.371 -7.330 12.387 54 HG3 PRO 9 2HG PRO 9 -9.976 -8.104 12.265 55 HD2 PRO 9 1HD PRO 9 -8.291 -8.200 10.184 56 HD3 PRO 9 2HD PRO 9 -10.013 -7.821 9.884 57 H GLN 10 H GLN 10 -6.929 -6.026 11.559 58 HA GLN 10 HA GLN 10 -6.158 -3.801 13.154 59 HB2 GLN 10 1HB GLN 10 -5.283 -6.433 12.825 60 HB3 GLN 10 2HB GLN 10 -3.929 -5.516 12.210 61 HG2 GLN 10 1HG GLN 10 -4.901 -4.402 14.769 62 HG3 GLN 10 2HG GLN 10 -4.664 -6.131 14.895 63 HE21 GLN 10 1HE2 GLN 10 -3.162 -3.954 16.249 64 HE22 GLN 10 2HE2 GLN 10 -1.491 -4.164 15.757 65 H LEU 11 H LEU 11 -5.929 -4.226 9.704 66 HA LEU 11 HA LEU 11 -3.720 -2.511 9.140 67 HB2 LEU 11 1HB LEU 11 -4.720 -3.898 7.435 68 HB3 LEU 11 2HB LEU 11 -6.289 -3.124 7.621 69 HG LEU 11 HG LEU 11 -4.162 -1.170 7.038 70 HD11 LEU 11 1HD1 LEU 11 -3.249 -3.103 5.777 71 HD12 LEU 11 2HD1 LEU 11 -3.733 -1.769 4.743 72 HD13 LEU 11 3HD1 LEU 11 -4.776 -3.217 4.889 73 HD21 LEU 11 3HD2 LEU 11 -6.573 -0.636 6.911 74 HD22 LEU 11 1HD2 LEU 11 -6.753 -1.780 5.572 75 HD23 LEU 11 2HD2 LEU 11 -5.732 -0.325 5.406 76 H ILE 12 H ILE 12 -3.488 -0.420 9.578 77 HA ILE 12 HA ILE 12 -5.914 1.275 10.066 78 HB ILE 12 HB ILE 12 -3.071 1.726 11.026 79 HG12 ILE 12 1HG1 ILE 12 -3.964 -0.143 12.252 80 HG13 ILE 12 2HG1 ILE 12 -3.921 1.258 13.298 81 HG21 ILE 12 1HG2 ILE 12 -4.162 3.842 10.757 82 HG22 ILE 12 2HG2 ILE 12 -5.629 3.277 11.578 83 HG23 ILE 12 3HG2 ILE 12 -4.105 3.477 12.474 84 HD11 ILE 12 3HD1 ILE 12 -6.373 1.564 12.961 85 HD12 ILE 12 1HD1 ILE 12 -6.406 0.108 11.942 86 HD13 ILE 12 2HD1 ILE 12 -5.963 -0.019 13.644 87 H TRP 13 H TRP 13 -6.370 2.504 8.411 88 HA TRP 13 HA TRP 13 -4.802 2.972 6.117 89 HB2 TRP 13 1HB TRP 13 -6.981 4.724 7.301 90 HB3 TRP 13 2HB TRP 13 -6.458 4.692 5.647 91 HD1 TRP 13 HD TRP 13 -8.794 2.903 8.011 92 HE1 TRP 13 1HE TRP 13 -9.972 0.953 6.847 93 HE3 TRP 13 3HE TRP 13 -6.202 2.938 3.589 94 HZ2 TRP 13 2HZ TRP 13 -9.581 -0.632 4.452 95 HZ3 TRP 13 3HZ TRP 13 -6.663 1.214 1.864 96 HH2 TRP 13 HH TRP 13 -8.304 -0.615 2.321 97 HA PRO 14 HA PRO 14 -4.636 4.820 4.599 98 HB2 PRO 14 1HB PRO 14 -2.423 5.600 3.330 99 HB3 PRO 14 2HB PRO 14 -3.591 6.768 3.970 100 HG2 PRO 14 1HG PRO 14 -1.007 5.841 5.243 101 HG3 PRO 14 2HG PRO 14 -1.585 7.525 5.086 102 HD2 PRO 14 1HD PRO 14 -1.899 6.043 7.352 103 HD3 PRO 14 2HD PRO 14 -3.125 7.219 6.850 104 H ALA 15 H ALA 15 -3.473 3.559 2.695 105 HA ALA 15 HA ALA 15 -1.513 1.614 3.721 106 HB1 ALA 15 1HB ALA 15 -4.118 0.843 2.335 107 HB2 ALA 15 2HB ALA 15 -2.838 -0.279 2.838 108 HB3 ALA 15 3HB ALA 15 -3.761 0.606 4.066 109 H LEU 16 H LEU 16 -0.815 0.160 1.901 110 HA LEU 16 HA LEU 16 -0.577 1.548 -0.723 111 HB2 LEU 16 1HB LEU 16 1.574 0.684 1.229 112 HB3 LEU 16 2HB LEU 16 1.917 0.648 -0.485 113 HG LEU 16 HG LEU 16 1.011 3.140 1.004 114 HD11 LEU 16 1HD1 LEU 16 3.777 2.172 0.118 115 HD12 LEU 16 2HD1 LEU 16 3.195 2.434 1.803 116 HD13 LEU 16 3HD1 LEU 16 3.420 3.795 0.697 117 HD21 LEU 16 3HD2 LEU 16 2.424 3.048 -1.686 118 HD22 LEU 16 1HD2 LEU 16 1.552 4.389 -0.934 119 HD23 LEU 16 2HD2 LEU 16 0.658 3.009 -1.594 120 H LEU 17 H LEU 17 -1.382 0.135 -2.139 121 HA LEU 17 HA LEU 17 -0.909 -2.801 -1.913 122 HB2 LEU 17 1HB LEU 17 -3.173 -1.787 -2.600 123 HB3 LEU 17 2HB LEU 17 -2.347 -1.139 -4.003 124 HG LEU 17 HG LEU 17 -1.773 -3.655 -4.569 125 HD11 LEU 17 1HD1 LEU 17 -4.142 -3.929 -2.648 126 HD12 LEU 17 2HD1 LEU 17 -2.551 -4.703 -2.504 127 HD13 LEU 17 3HD1 LEU 17 -3.647 -5.171 -3.807 128 HD21 LEU 17 3HD2 LEU 17 -3.932 -3.834 -5.757 129 HD22 LEU 17 1HD2 LEU 17 -3.225 -2.217 -5.904 130 HD23 LEU 17 2HD2 LEU 17 -4.565 -2.493 -4.772 131 H LYS 18 H LYS 18 0.441 -3.873 -3.626 132 HA LYS 18 HA LYS 18 1.546 -2.056 -5.668 133 HB2 LYS 18 1HB LYS 18 3.161 -2.512 -3.549 134 HB3 LYS 18 2HB LYS 18 3.558 -3.960 -4.464 135 HG2 LYS 18 1HG LYS 18 3.636 -1.139 -5.568 136 HG3 LYS 18 2HG LYS 18 5.038 -2.003 -4.928 137 HD2 LYS 18 1HD LYS 18 3.413 -2.625 -7.415 138 HD3 LYS 18 2HD LYS 18 5.076 -2.063 -7.322 139 HE2 LYS 18 1HE LYS 18 4.109 -4.762 -6.287 140 HE3 LYS 18 2HE LYS 18 4.791 -4.485 -7.872 141 HZ1 LYS 18 3HZ LYS 18 6.886 -4.102 -6.980 142 HZ2 LYS 18 1HZ LYS 18 6.275 -5.335 -6.093 143 HZ3 LYS 18 2HZ LYS 18 6.336 -3.842 -5.445 144 H GLN 19 H GLN 19 0.070 -3.077 -7.104 145 HA GLN 19 HA GLN 19 -0.613 -5.702 -6.992 146 HB2 GLN 19 1HB GLN 19 -1.092 -3.447 -8.688 147 HB3 GLN 19 2HB GLN 19 -0.665 -4.786 -9.742 148 HG2 GLN 19 1HG GLN 19 -2.668 -5.268 -7.534 149 HG3 GLN 19 2HG GLN 19 -3.164 -4.284 -8.892 150 HE21 GLN 19 1HE2 GLN 19 -3.669 -7.292 -8.004 151 HE22 GLN 19 2HE2 GLN 19 -4.526 -6.960 -9.449 152 H GLN 20 H GLN 20 0.029 -7.590 -7.791 153 HA GLN 20 HA GLN 20 2.785 -7.875 -7.967 154 HB2 GLN 20 1HB GLN 20 0.966 -9.556 -7.147 155 HB3 GLN 20 2HB GLN 20 0.850 -10.035 -8.849 156 HG2 GLN 20 1HG GLN 20 3.366 -10.303 -8.828 157 HG3 GLN 20 2HG GLN 20 3.328 -9.998 -7.095 158 HE21 GLN 20 1HE2 GLN 20 1.981 -12.240 -9.634 159 HE22 GLN 20 2HE2 GLN 20 2.116 -13.654 -8.598 160 H GLY 21 H GLY 21 4.125 -7.722 -9.569 161 HA2 GLY 21 1HA GLY 21 4.930 -8.274 -11.777 162 HA3 GLY 21 2HA GLY 21 3.287 -8.219 -12.398 163 H CYS 22 H CYS 22 2.951 -5.588 -10.601 164 HA CYS 22 HA CYS 22 4.014 -3.755 -12.680 165 HB2 CYS 22 1HB CYS 22 1.558 -3.768 -11.523 166 HB3 CYS 22 2HB CYS 22 2.385 -2.932 -10.233 167 HG CYS 22 HG CYS 22 2.071 -2.185 -13.474 168 H ASN 23 H ASN 23 4.545 -1.571 -11.503 169 HA ASN 23 HA ASN 23 6.283 -2.017 -9.136 170 HB2 ASN 23 1HB ASN 23 7.034 -0.087 -11.377 171 HB3 ASN 23 2HB ASN 23 7.988 -0.471 -10.025 172 HD21 ASN 23 1HD2 ASN 23 7.000 -1.649 -13.189 173 HD22 ASN 23 2HD2 ASN 23 7.729 -3.241 -13.049 174 H GLU 24 H GLU 24 3.586 -0.369 -10.522 175 HA GLU 24 HA GLU 24 4.152 2.195 -9.248 176 HB2 GLU 24 1HB GLU 24 2.851 1.859 -11.407 177 HB3 GLU 24 2HB GLU 24 1.536 1.209 -10.418 178 HG2 GLU 24 1HG GLU 24 1.533 3.374 -9.123 179 HG3 GLU 24 2HG GLU 24 2.820 3.979 -10.177 180 H LEU 25 H LEU 25 3.685 2.631 -7.139 181 HA LEU 25 HA LEU 25 2.216 0.726 -5.440 182 HB2 LEU 25 1HB LEU 25 3.694 3.349 -5.025 183 HB3 LEU 25 2HB LEU 25 2.384 2.992 -3.945 184 HG LEU 25 HG LEU 25 4.455 2.297 -2.956 185 HD11 LEU 25 1HD1 LEU 25 3.814 0.183 -2.149 186 HD12 LEU 25 2HD1 LEU 25 3.002 -0.250 -3.660 187 HD13 LEU 25 3HD1 LEU 25 2.297 0.970 -2.634 188 HD21 LEU 25 3HD2 LEU 25 5.674 0.284 -3.944 189 HD22 LEU 25 1HD2 LEU 25 5.912 1.853 -4.739 190 HD23 LEU 25 2HD2 LEU 25 4.863 0.647 -5.465 191 H LEU 26 H LEU 26 0.218 1.052 -4.614 192 HA LEU 26 HA LEU 26 -1.459 3.173 -5.806 193 HB2 LEU 26 1HB LEU 26 -1.893 0.438 -5.829 194 HB3 LEU 26 2HB LEU 26 -2.880 0.968 -4.476 195 HG LEU 26 HG LEU 26 -4.229 0.961 -6.376 196 HD11 LEU 26 1HD1 LEU 26 -4.561 2.918 -4.849 197 HD12 LEU 26 2HD1 LEU 26 -5.118 3.197 -6.498 198 HD13 LEU 26 3HD1 LEU 26 -3.597 3.911 -5.955 199 HD21 LEU 26 3HD2 LEU 26 -2.251 2.782 -7.814 200 HD22 LEU 26 1HD2 LEU 26 -3.757 2.128 -8.462 201 HD23 LEU 26 2HD2 LEU 26 -2.434 1.035 -8.067 202 HA PRO 27 HA PRO 27 -0.971 4.477 -1.382 203 HB2 PRO 27 1HB PRO 27 -1.294 7.156 -1.812 204 HB3 PRO 27 2HB PRO 27 0.254 6.324 -2.147 205 HG2 PRO 27 1HG PRO 27 -1.958 7.034 -4.096 206 HG3 PRO 27 2HG PRO 27 -0.212 7.322 -4.275 207 HD2 PRO 27 1HD PRO 27 -1.483 5.190 -5.382 208 HD3 PRO 27 2HD PRO 27 0.197 5.061 -4.772 209 H LEU 28 H LEU 28 -2.837 3.900 -0.286 210 HA LEU 28 HA LEU 28 -5.406 5.040 -1.301 211 HB2 LEU 28 1HB LEU 28 -5.174 2.487 0.302 212 HB3 LEU 28 2HB LEU 28 -6.582 3.186 -0.342 213 HG LEU 28 HG LEU 28 -4.535 2.782 -2.460 214 HD11 LEU 28 1HD1 LEU 28 -5.447 0.401 -0.837 215 HD12 LEU 28 2HD1 LEU 28 -3.796 0.926 -1.175 216 HD13 LEU 28 3HD1 LEU 28 -4.798 0.294 -2.493 217 HD21 LEU 28 3HD2 LEU 28 -6.398 1.794 -3.639 218 HD22 LEU 28 1HD2 LEU 28 -6.894 3.319 -2.888 219 HD23 LEU 28 2HD2 LEU 28 -7.366 1.781 -2.152 220 H ARG 29 H ARG 29 -5.915 6.635 -0.294 221 HA ARG 29 HA ARG 29 -4.877 7.699 2.098 222 HB2 ARG 29 1HB ARG 29 -7.043 8.294 0.166 223 HB3 ARG 29 2HB ARG 29 -7.565 8.703 1.778 224 HG2 ARG 29 1HG ARG 29 -4.873 9.608 0.726 225 HG3 ARG 29 2HG ARG 29 -6.366 10.476 0.338 226 HD2 ARG 29 1HD ARG 29 -6.907 10.581 2.809 227 HD3 ARG 29 2HD ARG 29 -5.317 9.950 3.159 228 HE ARG 29 HE ARG 29 -4.386 12.014 2.640 229 HH11 ARG 29 1HH1 ARG 29 -7.817 11.959 1.722 230 HH12 ARG 29 2HH1 ARG 29 -7.841 13.557 1.074 231 HH21 ARG 29 1HH2 ARG 29 -4.453 14.238 1.973 232 HH22 ARG 29 2HH2 ARG 29 -5.875 14.862 1.191 233 H THR 30 H THR 30 -7.862 5.779 1.635 234 HA THR 30 HA THR 30 -8.041 5.097 4.407 235 HB THR 30 HB THR 30 -8.662 7.433 4.428 236 HG1 THR 30 1HG THR 30 -11.042 6.312 5.112 237 HG21 THR 30 3HG2 THR 30 -10.635 8.373 3.511 238 HG22 THR 30 1HG2 THR 30 -11.183 6.799 2.903 239 HG23 THR 30 2HG2 THR 30 -9.781 7.607 2.172 240 H ASN 31 H ASN 31 -10.463 4.321 4.679 241 HA ASN 31 HA ASN 31 -10.529 2.023 3.013 242 HB2 ASN 31 1HB ASN 31 -11.359 2.651 5.494 243 HB3 ASN 31 2HB ASN 31 -12.906 2.790 4.690 244 HD21 ASN 31 1HD2 ASN 31 -12.181 0.640 2.600 245 HD22 ASN 31 2HD2 ASN 31 -12.282 -0.870 3.479 246 H ASP 32 H ASP 32 -12.215 5.100 2.828 247 HA ASP 32 HA ASP 32 -14.132 4.373 0.800 248 HB2 ASP 32 1HB ASP 32 -12.739 7.044 1.305 249 HB3 ASP 32 2HB ASP 32 -14.100 6.789 0.218 250 H ASP 33 H ASP 33 -10.666 5.214 0.706 251 HA ASP 33 HA ASP 33 -10.493 5.627 -2.163 252 HB2 ASP 33 1HB ASP 33 -8.850 6.371 -0.259 253 HB3 ASP 33 2HB ASP 33 -8.202 4.752 -0.389 254 H TRP 34 H TRP 34 -9.914 2.940 0.105 255 HA TRP 34 HA TRP 34 -9.165 0.937 -1.685 256 HB2 TRP 34 1HB TRP 34 -9.133 0.731 0.687 257 HB3 TRP 34 2HB TRP 34 -10.886 0.735 0.795 258 HD1 TRP 34 HD TRP 34 -12.096 -1.595 0.501 259 HE1 TRP 34 1HE TRP 34 -11.328 -3.978 0.064 260 HE3 TRP 34 3HE TRP 34 -7.260 -0.615 -0.640 261 HZ2 TRP 34 2HZ TRP 34 -8.814 -5.320 -0.666 262 HZ3 TRP 34 3HZ TRP 34 -5.681 -2.430 -1.229 263 HH2 TRP 34 HH TRP 34 -6.458 -4.811 -1.218 264 H GLN 35 H GLN 35 -12.460 2.169 -0.939 265 HA GLN 35 HA GLN 35 -13.856 0.253 -2.628 266 HB2 GLN 35 1HB GLN 35 -14.760 2.886 -1.421 267 HB3 GLN 35 2HB GLN 35 -15.808 1.780 -2.287 268 HG2 GLN 35 1HG GLN 35 -14.304 0.492 -0.051 269 HG3 GLN 35 2HG GLN 35 -15.355 1.814 0.431 270 HE21 GLN 35 1HE2 GLN 35 -15.310 -1.591 -0.371 271 HE22 GLN 35 2HE2 GLN 35 -17.054 -1.734 -0.180 272 H ARG 36 H ARG 36 -12.607 3.600 -3.073 273 HA ARG 36 HA ARG 36 -13.693 3.966 -5.724 274 HB2 ARG 36 1HB ARG 36 -11.274 5.152 -4.307 275 HB3 ARG 36 2HB ARG 36 -11.411 5.269 -6.034 276 HG2 ARG 36 1HG ARG 36 -12.386 7.172 -5.676 277 HG3 ARG 36 2HG ARG 36 -13.859 6.226 -5.500 278 HD2 ARG 36 1HD ARG 36 -13.754 6.358 -3.107 279 HD3 ARG 36 2HD ARG 36 -12.071 6.897 -3.126 280 HE ARG 36 HE ARG 36 -14.449 8.503 -3.415 281 HH11 ARG 36 1HH1 ARG 36 -10.954 8.470 -4.388 282 HH12 ARG 36 2HH1 ARG 36 -10.992 10.090 -4.871 283 HH21 ARG 36 1HH2 ARG 36 -14.233 10.780 -3.558 284 HH22 ARG 36 2HH2 ARG 36 -12.737 11.507 -3.998 285 H PHE 37 H PHE 37 -10.505 2.633 -4.686 286 HA PHE 37 HA PHE 37 -9.403 2.231 -7.142 287 HB2 PHE 37 1HB PHE 37 -8.294 1.780 -4.982 288 HB3 PHE 37 2HB PHE 37 -9.345 0.387 -4.701 289 HD1 PHE 37 2HD PHE 37 -7.111 1.546 -7.508 290 HD2 PHE 37 1HD PHE 37 -8.309 -1.672 -4.914 291 HE1 PHE 37 2HE PHE 37 -5.450 0.051 -8.597 292 HE2 PHE 37 1HE PHE 37 -6.644 -3.162 -5.993 293 HZ PHE 37 HZ PHE 37 -5.191 -2.295 -7.794 294 H CYS 38 H CYS 38 -11.327 -0.241 -5.421 295 HA CYS 38 HA CYS 38 -11.216 -2.108 -7.569 296 HB2 CYS 38 1HB CYS 38 -12.819 -3.374 -6.237 297 HB3 CYS 38 2HB CYS 38 -11.435 -2.775 -5.316 298 HG CYS 38 HG CYS 38 -12.463 -1.118 -3.888 299 H ALA 39 H ALA 39 -13.286 0.540 -6.951 300 HA ALA 39 HA ALA 39 -15.355 -0.183 -8.905 301 HB1 ALA 39 1HB ALA 39 -16.221 2.074 -8.546 302 HB2 ALA 39 2HB ALA 39 -15.876 1.302 -6.990 303 HB3 ALA 39 3HB ALA 39 -14.777 2.529 -7.633 304 H ASP 40 H ASP 40 -12.569 2.112 -8.910 305 HA ASP 40 HA ASP 40 -13.537 3.090 -11.463 306 HB2 ASP 40 1HB ASP 40 -12.620 4.310 -9.177 307 HB3 ASP 40 2HB ASP 40 -11.178 4.385 -10.162 308 H SER 41 H SER 41 -11.020 1.270 -10.489 309 HA SER 41 HA SER 41 -9.747 1.220 -13.230 310 HB2 SER 41 1HB SER 41 -7.505 1.177 -12.174 311 HB3 SER 41 2HB SER 41 -8.394 2.681 -11.864 312 HG SER 41 HG SER 41 -7.513 1.999 -9.945 313 H LYS 42 H LYS 42 -10.307 -0.490 -10.159 314 HA LYS 42 HA LYS 42 -10.756 -2.410 -9.601 315 HB2 LYS 42 1HB LYS 42 -12.139 -2.418 -11.722 316 HB3 LYS 42 2HB LYS 42 -10.887 -3.464 -12.434 317 HG2 LYS 42 1HG LYS 42 -11.182 -5.119 -10.716 318 HG3 LYS 42 2HG LYS 42 -12.115 -3.993 -9.719 319 HD2 LYS 42 1HD LYS 42 -13.142 -5.008 -12.406 320 HD3 LYS 42 2HD LYS 42 -13.444 -5.838 -10.861 321 HE2 LYS 42 1HE LYS 42 -14.361 -3.687 -9.934 322 HE3 LYS 42 2HE LYS 42 -14.234 -2.966 -11.549 323 HZ1 LYS 42 3HZ LYS 42 -15.794 -4.631 -12.339 324 HZ2 LYS 42 1HZ LYS 42 -16.431 -3.830 -11.072 325 HZ3 LYS 42 2HZ LYS 42 -15.860 -5.349 -10.853 326 H HIS 43 H HIS 43 -8.324 -2.597 -12.119 327 HA HIS 43 HA HIS 43 -6.363 -3.815 -12.327 328 HB2 HIS 43 1HB HIS 43 -6.421 -2.098 -9.937 329 HB3 HIS 43 2HB HIS 43 -5.133 -3.275 -9.879 330 HD1 HIS 43 1HD HIS 43 -2.914 -2.232 -10.836 331 HD2 HIS 43 2HD HIS 43 -6.462 -1.025 -12.773 332 HE1 HIS 43 1HE HIS 43 -2.222 -0.498 -12.476 333 H LEU 44 H LEU 44 -8.440 -5.706 -11.334 334 HA LEU 44 HA LEU 44 -8.846 -7.534 -10.185 335 HB2 LEU 44 1HB LEU 44 -6.027 -8.188 -10.963 336 HB3 LEU 44 2HB LEU 44 -7.320 -9.318 -10.601 337 HG LEU 44 HG LEU 44 -8.643 -8.303 -12.555 338 HD11 LEU 44 1HD1 LEU 44 -6.905 -7.409 -14.361 339 HD12 LEU 44 2HD1 LEU 44 -5.961 -6.944 -12.936 340 HD13 LEU 44 3HD1 LEU 44 -7.592 -6.284 -13.209 341 HD21 LEU 44 3HD2 LEU 44 -7.456 -9.659 -14.169 342 HD22 LEU 44 1HD2 LEU 44 -7.444 -10.467 -12.589 343 HD23 LEU 44 2HD2 LEU 44 -5.999 -9.627 -13.141 344 H LEU 45 H LEU 45 -7.759 -9.287 -8.594 345 HA LEU 45 HA LEU 45 -5.929 -8.131 -6.635 346 HB2 LEU 45 1HB LEU 45 -8.679 -9.251 -6.006 347 HB3 LEU 45 2HB LEU 45 -7.364 -9.353 -4.831 348 HG LEU 45 HG LEU 45 -8.342 -6.752 -6.065 349 HD11 LEU 45 1HD1 LEU 45 -9.213 -8.248 -3.576 350 HD12 LEU 45 2HD1 LEU 45 -10.176 -7.619 -4.911 351 HD13 LEU 45 3HD1 LEU 45 -9.443 -6.481 -3.774 352 HD21 LEU 45 3HD2 LEU 45 -6.440 -7.394 -3.763 353 HD22 LEU 45 1HD2 LEU 45 -7.174 -5.783 -4.007 354 HD23 LEU 45 2HD2 LEU 45 -6.107 -6.469 -5.224 355 H GLN 46 H GLN 46 -4.382 -9.683 -6.256 356 HA GLN 46 HA GLN 46 -4.985 -12.527 -6.869 357 HB2 GLN 46 1HB GLN 46 -2.866 -12.634 -8.194 358 HB3 GLN 46 2HB GLN 46 -4.186 -11.737 -8.956 359 HG2 GLN 46 1HG GLN 46 -3.219 -9.613 -8.265 360 HG3 GLN 46 2HG GLN 46 -1.910 -10.468 -7.405 361 HE21 GLN 46 1HE2 GLN 46 -2.299 -8.533 -9.908 362 HE22 GLN 46 2HE2 GLN 46 -1.360 -9.303 -11.178 363 H TYR 47 H TYR 47 -3.255 -14.005 -6.184 364 HA TYR 47 HA TYR 47 -2.775 -13.505 -3.415 365 HB2 TYR 47 1HB TYR 47 -1.805 -15.849 -5.084 366 HB3 TYR 47 2HB TYR 47 -2.029 -15.811 -3.344 367 HD1 TYR 47 1HD TYR 47 -4.764 -14.694 -3.028 368 HD2 TYR 47 2HD TYR 47 -3.199 -17.530 -5.867 369 HE1 TYR 47 1HE TYR 47 -7.038 -15.635 -3.340 370 HE2 TYR 47 2HE TYR 47 -5.470 -18.447 -6.207 371 HH TYR 47 HH TYR 47 -8.362 -17.279 -4.442 372 H GLY 48 H GLY 48 -1.390 -11.594 -3.933 373 HA2 GLY 48 1HA GLY 48 1.154 -11.799 -2.905 374 HA3 GLY 48 2HA GLY 48 1.390 -12.182 -4.600 375 H ASP 49 H ASP 49 -1.140 -9.855 -3.799 376 HA ASP 49 HA ASP 49 0.145 -7.784 -5.366 377 HB2 ASP 49 1HB ASP 49 -2.490 -8.308 -3.962 378 HB3 ASP 49 2HB ASP 49 -2.085 -6.656 -4.316 379 H LYS 50 H LYS 50 0.094 -8.651 -2.097 380 HA LYS 50 HA LYS 50 0.797 -7.885 -0.124 381 HB2 LYS 50 1HB LYS 50 2.956 -7.638 -1.397 382 HB3 LYS 50 2HB LYS 50 2.565 -5.916 -1.604 383 HG2 LYS 50 1HG LYS 50 2.660 -5.521 0.775 384 HG3 LYS 50 2HG LYS 50 2.779 -7.249 1.133 385 HD2 LYS 50 1HD LYS 50 4.899 -5.671 -0.355 386 HD3 LYS 50 2HD LYS 50 4.861 -5.884 1.394 387 HE2 LYS 50 1HE LYS 50 5.934 -7.814 1.220 388 HE3 LYS 50 2HE LYS 50 4.547 -8.510 0.381 389 HZ1 LYS 50 3HZ LYS 50 6.670 -8.651 -0.826 390 HZ2 LYS 50 1HZ LYS 50 6.744 -7.031 -0.933 391 HZ3 LYS 50 2HZ LYS 50 5.535 -7.880 -1.709 392 H LEU 51 H LEU 51 0.592 -6.256 1.494 393 HA LEU 51 HA LEU 51 -0.478 -3.663 0.673 394 HB2 LEU 51 1HB LEU 51 -2.135 -5.673 1.712 395 HB3 LEU 51 2HB LEU 51 -1.668 -4.807 3.156 396 HG LEU 51 HG LEU 51 -2.786 -2.835 2.483 397 HD11 LEU 51 1HD1 LEU 51 -2.217 -2.595 0.117 398 HD12 LEU 51 2HD1 LEU 51 -3.961 -2.604 0.294 399 HD13 LEU 51 3HD1 LEU 51 -3.125 -4.069 -0.284 400 HD21 LEU 51 3HD2 LEU 51 -5.079 -3.736 2.051 401 HD22 LEU 51 1HD2 LEU 51 -4.212 -4.729 3.242 402 HD23 LEU 51 2HD2 LEU 51 -4.390 -5.280 1.567 403 H VAL 52 H VAL 52 0.163 -2.030 2.225 404 HA VAL 52 HA VAL 52 1.454 -2.950 4.693 405 HB VAL 52 HB VAL 52 2.634 -0.734 2.962 406 HG11 VAL 52 1HG1 VAL 52 4.481 -0.757 4.630 407 HG12 VAL 52 2HG1 VAL 52 2.943 -0.323 5.371 408 HG13 VAL 52 3HG1 VAL 52 3.592 -1.964 5.585 409 HG21 VAL 52 3HG2 VAL 52 4.667 -2.260 2.855 410 HG22 VAL 52 1HG2 VAL 52 3.648 -3.541 3.512 411 HG23 VAL 52 2HG2 VAL 52 3.268 -2.838 1.926 412 H ASP 53 H ASP 53 0.701 -1.605 6.466 413 HA ASP 53 HA ASP 53 -1.202 0.523 5.741 414 HB2 ASP 53 1HB ASP 53 -2.388 -0.042 7.607 415 HB3 ASP 53 2HB ASP 53 -1.873 -1.603 7.025 416 H SER 54 H SER 54 -1.365 2.044 7.804 417 HA SER 54 HA SER 54 0.876 3.757 7.819 418 HB2 SER 54 1HB SER 54 -1.668 4.033 8.452 419 HB3 SER 54 2HB SER 54 -1.114 3.667 10.091 420 HG SER 54 HG SER 54 0.136 5.517 10.050 421 H ASN 55 H ASN 55 0.427 0.829 9.705 422 HA ASN 55 HA ASN 55 2.289 1.682 11.850 423 HB2 ASN 55 1HB ASN 55 0.841 -0.949 11.476 424 HB3 ASN 55 2HB ASN 55 1.734 -0.447 12.894 425 HD21 ASN 55 1HD2 ASN 55 -1.361 -0.408 11.324 426 HD22 ASN 55 2HD2 ASN 55 -2.147 0.524 12.596 427 H PHE 56 H PHE 56 2.522 0.479 8.716 428 HA PHE 56 HA PHE 56 4.103 -0.614 7.558 429 HB2 PHE 56 1HB PHE 56 5.846 -0.694 10.048 430 HB3 PHE 56 2HB PHE 56 6.324 -0.950 8.406 431 HD1 PHE 56 2HD PHE 56 5.253 1.674 10.792 432 HD2 PHE 56 1HD PHE 56 6.725 0.797 6.836 433 HE1 PHE 56 2HE PHE 56 5.634 4.052 10.434 434 HE2 PHE 56 1HE PHE 56 7.117 3.220 6.477 435 HZ PHE 56 HZ PHE 56 6.619 4.866 8.266 436 H HIS 57 H HIS 57 1.921 -1.969 9.177 437 HA HIS 57 HA HIS 57 2.872 -4.729 9.530 438 HB2 HIS 57 1HB HIS 57 0.097 -3.650 9.010 439 HB3 HIS 57 2HB HIS 57 0.530 -5.282 9.535 440 HD1 HIS 57 1HD HIS 57 -1.230 -2.678 10.926 441 HD2 HIS 57 2HD HIS 57 2.406 -4.498 12.033 442 HE1 HIS 57 1HE HIS 57 -1.075 -2.480 13.470 443 H CYS 58 H CYS 58 3.806 -5.639 7.645 444 HA CYS 58 HA CYS 58 2.609 -5.100 5.039 445 HB2 CYS 58 1HB CYS 58 4.552 -7.255 5.984 446 HB3 CYS 58 2HB CYS 58 3.944 -7.104 4.328 447 HG CYS 58 HG CYS 58 6.337 -6.153 4.351 448 H PHE 59 H PHE 59 1.300 -6.576 3.904 449 HA PHE 59 HA PHE 59 0.320 -9.010 5.249 450 HB2 PHE 59 1HB PHE 59 -1.476 -6.940 3.931 451 HB3 PHE 59 2HB PHE 59 -1.966 -8.507 4.513 452 HD1 PHE 59 1HD PHE 59 -2.149 -8.942 6.991 453 HD2 PHE 59 2HD PHE 59 -1.095 -5.054 5.440 454 HE1 PHE 59 1HE PHE 59 -2.406 -7.959 9.252 455 HE2 PHE 59 2HE PHE 59 -1.496 -4.060 7.644 456 HZ PHE 59 HZ PHE 59 -1.969 -5.515 9.603 457 H VAL 60 H VAL 60 -0.477 -10.540 3.636 458 HA VAL 60 HA VAL 60 -0.374 -9.791 0.827 459 HB VAL 60 HB VAL 60 1.240 -12.038 2.023 460 HG11 VAL 60 1HG1 VAL 60 -0.025 -13.137 0.318 461 HG12 VAL 60 2HG1 VAL 60 0.302 -11.840 -0.858 462 HG13 VAL 60 3HG1 VAL 60 1.610 -12.897 -0.261 463 HG21 VAL 60 3HG2 VAL 60 1.871 -9.892 -0.048 464 HG22 VAL 60 1HG2 VAL 60 2.452 -9.947 1.641 465 HG23 VAL 60 2HG2 VAL 60 2.957 -11.178 0.486 466 H LEU 61 H LEU 61 -1.756 -10.890 -0.340 467 HA LEU 61 HA LEU 61 -4.225 -11.872 0.868 468 HB2 LEU 61 1HB LEU 61 -3.975 -10.283 -1.266 469 HB3 LEU 61 2HB LEU 61 -3.427 -11.708 -2.088 470 HG LEU 61 HG LEU 61 -5.484 -12.813 -1.997 471 HD11 LEU 61 1HD1 LEU 61 -7.514 -11.777 -0.838 472 HD12 LEU 61 2HD1 LEU 61 -6.346 -10.783 0.077 473 HD13 LEU 61 3HD1 LEU 61 -6.330 -12.565 0.195 474 HD21 LEU 61 3HD2 LEU 61 -7.012 -11.243 -3.052 475 HD22 LEU 61 1HD2 LEU 61 -5.353 -10.915 -3.607 476 HD23 LEU 61 2HD2 LEU 61 -6.093 -9.851 -2.403 477 H GLU 62 H GLU 62 -4.673 -14.074 1.019 478 HA GLU 62 HA GLU 62 -2.841 -15.947 -0.411 479 HB2 GLU 62 1HB GLU 62 -4.004 -16.372 2.359 480 HB3 GLU 62 2HB GLU 62 -2.817 -17.366 1.496 481 HG2 GLU 62 1HG GLU 62 -1.464 -15.049 1.424 482 HG3 GLU 62 2HG GLU 62 -2.478 -14.645 2.789 483 H GLU 63 H GLU 63 -3.905 -18.214 -0.536 484 HA GLU 63 HA GLU 63 -6.138 -17.993 -2.235 485 HB2 GLU 63 1HB GLU 63 -4.923 -20.321 -0.743 486 HB3 GLU 63 2HB GLU 63 -6.280 -20.507 -1.878 487 HG2 GLU 63 1HG GLU 63 -4.853 -19.570 -3.674 488 HG3 GLU 63 2HG GLU 63 -3.511 -19.450 -2.526 489 H ASP 64 H ASP 64 -6.023 -18.253 1.204 490 HA ASP 64 HA ASP 64 -8.728 -19.229 1.643 491 HB2 ASP 64 1HB ASP 64 -6.584 -19.422 3.125 492 HB3 ASP 64 2HB ASP 64 -6.988 -17.779 3.634 493 H ALA 65 H ALA 65 -7.692 -16.436 0.340 494 HA ALA 65 HA ALA 65 -8.485 -14.415 -0.114 495 HB1 ALA 65 1HB ALA 65 -11.166 -15.533 0.776 496 HB2 ALA 65 2HB ALA 65 -10.878 -14.165 -0.328 497 HB3 ALA 65 3HB ALA 65 -10.412 -15.803 -0.811 498 H HIS 66 H HIS 66 -7.585 -14.950 2.732 499 HA HIS 66 HA HIS 66 -8.566 -12.357 3.817 500 HB2 HIS 66 1HB HIS 66 -7.603 -12.986 5.961 501 HB3 HIS 66 2HB HIS 66 -8.876 -14.074 5.449 502 HD1 HIS 66 1HD HIS 66 -8.242 -16.414 6.315 503 HD2 HIS 66 2HD HIS 66 -5.065 -14.318 4.527 504 HE1 HIS 66 1HE HIS 66 -6.260 -17.960 6.374 505 H TRP 67 H TRP 67 -6.766 -11.121 4.924 506 HA TRP 67 HA TRP 67 -4.316 -11.123 3.238 507 HB2 TRP 67 1HB TRP 67 -5.808 -8.951 4.731 508 HB3 TRP 67 2HB TRP 67 -4.113 -8.802 4.345 509 HD1 TRP 67 HD TRP 67 -7.500 -8.911 2.614 510 HE1 TRP 67 1HE TRP 67 -7.226 -7.932 0.200 511 HE3 TRP 67 3HE TRP 67 -2.458 -8.709 2.376 512 HZ2 TRP 67 2HZ TRP 67 -5.098 -7.105 -1.512 513 HZ3 TRP 67 3HZ TRP 67 -1.311 -7.881 0.417 514 HH2 TRP 67 HH TRP 67 -2.603 -6.986 -1.569 515 H HIS 68 H HIS 68 -3.060 -12.584 4.272 516 HA HIS 68 HA HIS 68 -3.084 -12.942 7.156 517 HB2 HIS 68 1HB HIS 68 -2.630 -14.771 5.511 518 HB3 HIS 68 2HB HIS 68 -1.182 -13.926 4.982 519 HD1 HIS 68 1HD HIS 68 -2.546 -16.007 7.875 520 HD2 HIS 68 2HD HIS 68 1.032 -14.145 6.614 521 HE1 HIS 68 1HE HIS 68 -0.737 -16.798 9.439 522 HA PRO 69 HA PRO 69 -0.110 -9.652 7.887 523 HB2 PRO 69 1HB PRO 69 0.944 -10.374 10.305 524 HB3 PRO 69 2HB PRO 69 -0.722 -9.758 10.085 525 HG2 PRO 69 1HG PRO 69 0.185 -12.653 10.270 526 HG3 PRO 69 2HG PRO 69 -1.135 -11.851 11.181 527 HD2 PRO 69 1HD PRO 69 -1.646 -13.280 8.950 528 HD3 PRO 69 2HD PRO 69 -2.523 -11.758 9.253 529 H ALA 70 H ALA 70 1.531 -9.597 6.497 530 HA ALA 70 HA ALA 70 3.416 -11.809 6.147 531 HB1 ALA 70 1HB ALA 70 4.184 -10.489 4.227 532 HB2 ALA 70 2HB ALA 70 2.429 -10.689 4.207 533 HB3 ALA 70 3HB ALA 70 3.141 -9.142 4.714 534 H ALA 71 H ALA 71 3.559 -10.643 8.669 535 HA ALA 71 HA ALA 71 4.931 -9.918 10.277 536 HB1 ALA 71 1HB ALA 71 7.167 -9.800 8.235 537 HB2 ALA 71 2HB ALA 71 7.336 -9.966 9.985 538 HB3 ALA 71 3HB ALA 71 6.630 -11.289 9.050 539 HA PRO 72 HA PRO 72 5.136 -5.442 9.920 540 HB2 PRO 72 1HB PRO 72 6.962 -4.662 11.771 541 HB3 PRO 72 2HB PRO 72 5.341 -5.297 12.233 542 HG2 PRO 72 1HG PRO 72 7.981 -6.796 12.121 543 HG3 PRO 72 2HG PRO 72 6.772 -6.788 13.443 544 HD2 PRO 72 1HD PRO 72 6.863 -8.764 11.590 545 HD3 PRO 72 2HD PRO 72 5.310 -8.185 12.246 546 H LEU 73 H LEU 73 6.683 -3.716 9.357 547 HA LEU 73 HA LEU 73 9.049 -4.746 7.892 548 HB2 LEU 73 1HB LEU 73 6.885 -3.974 6.716 549 HB3 LEU 73 2HB LEU 73 7.238 -2.386 7.311 550 HG LEU 73 HG LEU 73 9.356 -2.314 6.037 551 HD11 LEU 73 1HD1 LEU 73 9.749 -3.913 4.226 552 HD12 LEU 73 2HD1 LEU 73 8.262 -4.799 4.616 553 HD13 LEU 73 3HD1 LEU 73 9.629 -4.853 5.723 554 HD21 LEU 73 3HD2 LEU 73 8.188 -2.038 3.809 555 HD22 LEU 73 1HD2 LEU 73 7.400 -1.217 5.171 556 HD23 LEU 73 2HD2 LEU 73 6.739 -2.741 4.543 557 HA PRO 74 HA PRO 74 11.240 -1.605 10.361 558 HB2 PRO 74 1HB PRO 74 13.592 -1.394 8.959 559 HB3 PRO 74 2HB PRO 74 13.189 -2.798 9.982 560 HG2 PRO 74 1HG PRO 74 12.929 -2.530 6.988 561 HG3 PRO 74 2HG PRO 74 13.606 -3.885 7.940 562 HD2 PRO 74 1HD PRO 74 11.048 -3.856 6.963 563 HD3 PRO 74 2HD PRO 74 11.476 -4.681 8.490 564 HA PRO 75 HA PRO 75 10.336 2.094 8.388 565 HB2 PRO 75 1HB PRO 75 12.331 3.934 9.007 566 HB3 PRO 75 2HB PRO 75 11.064 3.364 10.137 567 HG2 PRO 75 1HG PRO 75 13.903 2.348 9.849 568 HG3 PRO 75 2HG PRO 75 13.008 2.746 11.352 569 HD2 PRO 75 1HD PRO 75 13.219 0.188 10.495 570 HD3 PRO 75 2HD PRO 75 11.692 0.783 11.193 571 H GLU 76 H GLU 76 13.644 0.999 7.696 572 HA GLU 76 HA GLU 76 14.033 2.478 5.253 573 HB2 GLU 76 1HB GLU 76 15.818 0.690 4.931 574 HB3 GLU 76 2HB GLU 76 16.012 1.723 6.336 575 HG2 GLU 76 1HG GLU 76 15.601 0.045 7.861 576 HG3 GLU 76 2HG GLU 76 14.537 -0.839 6.781 577 H GLY 77 H GLY 77 12.322 -0.450 6.236 578 HA2 GLY 77 1HA GLY 77 12.587 -1.827 3.792 579 HA3 GLY 77 2HA GLY 77 11.413 -2.184 5.072 580 H LEU 78 H LEU 78 10.303 0.566 5.014 581 HA LEU 78 HA LEU 78 8.196 0.432 3.125 582 HB2 LEU 78 1HB LEU 78 7.996 1.980 4.914 583 HB3 LEU 78 2HB LEU 78 9.542 2.760 4.533 584 HG LEU 78 HG LEU 78 8.622 3.650 2.424 585 HD11 LEU 78 1HD1 LEU 78 5.889 2.707 3.421 586 HD12 LEU 78 2HD1 LEU 78 6.780 1.893 2.128 587 HD13 LEU 78 3HD1 LEU 78 6.288 3.549 1.878 588 HD21 LEU 78 3HD2 LEU 78 8.550 4.962 4.545 589 HD22 LEU 78 1HD2 LEU 78 6.855 4.481 4.736 590 HD23 LEU 78 2HD2 LEU 78 7.364 5.430 3.330 591 H ASN 79 H ASN 79 11.387 2.004 2.892 592 HA ASN 79 HA ASN 79 10.893 3.315 0.446 593 HB2 ASN 79 1HB ASN 79 13.311 2.762 2.078 594 HB3 ASN 79 2HB ASN 79 13.636 2.788 0.350 595 HD21 ASN 79 1HD2 ASN 79 12.788 4.746 3.122 596 HD22 ASN 79 2HD2 ASN 79 12.725 6.261 2.284 597 H ASP 80 H ASP 80 11.796 -0.101 0.977 598 HA ASP 80 HA ASP 80 12.652 -0.658 -1.706 599 HB2 ASP 80 1HB ASP 80 11.183 -2.360 0.364 600 HB3 ASP 80 2HB ASP 80 11.498 -2.951 -1.251 601 H LEU 81 H LEU 81 9.371 -0.246 -0.318 602 HA LEU 81 HA LEU 81 8.127 -1.329 -2.726 603 HB2 LEU 81 1HB LEU 81 7.029 0.138 -0.279 604 HB3 LEU 81 2HB LEU 81 6.064 -0.161 -1.687 605 HG LEU 81 HG LEU 81 5.535 -1.817 -0.118 606 HD11 LEU 81 1HD1 LEU 81 5.591 -2.493 -2.521 607 HD12 LEU 81 2HD1 LEU 81 5.800 -3.832 -1.382 608 HD13 LEU 81 3HD1 LEU 81 7.204 -3.206 -2.246 609 HD21 LEU 81 3HD2 LEU 81 7.100 -3.366 0.844 610 HD22 LEU 81 1HD2 LEU 81 7.675 -1.705 1.118 611 HD23 LEU 81 2HD2 LEU 81 8.429 -2.710 -0.137 612 H ILE 82 H ILE 82 8.315 1.955 -1.298 613 HA ILE 82 HA ILE 82 7.226 3.228 -3.585 614 HB ILE 82 HB ILE 82 8.974 4.332 -1.369 615 HG12 ILE 82 1HG1 ILE 82 6.754 3.289 -0.709 616 HG13 ILE 82 2HG1 ILE 82 6.984 4.955 -0.246 617 HG21 ILE 82 1HG2 ILE 82 9.132 6.063 -2.972 618 HG22 ILE 82 2HG2 ILE 82 7.493 5.787 -3.606 619 HG23 ILE 82 3HG2 ILE 82 7.716 6.498 -2.029 620 HD11 ILE 82 3HD1 ILE 82 5.450 4.295 -2.797 621 HD12 ILE 82 1HD1 ILE 82 4.675 4.364 -1.202 622 HD13 ILE 82 2HD1 ILE 82 5.465 5.789 -1.870 623 H ARG 83 H ARG 83 10.582 2.274 -2.957 624 HA ARG 83 HA ARG 83 11.945 3.614 -4.955 625 HB2 ARG 83 1HB ARG 83 12.180 0.932 -3.627 626 HB3 ARG 83 2HB ARG 83 12.983 1.060 -5.130 627 HG2 ARG 83 1HG ARG 83 13.672 3.427 -3.601 628 HG3 ARG 83 2HG ARG 83 13.882 2.011 -2.582 629 HD2 ARG 83 1HD ARG 83 15.057 2.343 -5.370 630 HD3 ARG 83 2HD ARG 83 15.940 2.616 -3.857 631 HE ARG 83 HE ARG 83 15.272 0.159 -3.350 632 HH11 ARG 83 1HH1 ARG 83 16.526 1.376 -6.447 633 HH12 ARG 83 2HH1 ARG 83 16.863 -0.197 -7.082 634 HH21 ARG 83 1HH2 ARG 83 15.632 -1.941 -4.236 635 HH22 ARG 83 2HH2 ARG 83 16.452 -2.136 -5.725 636 H ALA 84 H ALA 84 9.712 0.845 -5.372 637 HA ALA 84 HA ALA 84 10.261 0.410 -8.150 638 HB1 ALA 84 1HB ALA 84 9.160 -1.211 -6.575 639 HB2 ALA 84 2HB ALA 84 7.701 -0.200 -6.613 640 HB3 ALA 84 3HB ALA 84 8.289 -0.986 -8.086 641 H HIS 85 H HIS 85 7.403 1.997 -6.694 642 HA HIS 85 HA HIS 85 6.306 3.148 -8.936 643 HB2 HIS 85 1HB HIS 85 5.340 3.072 -6.634 644 HB3 HIS 85 2HB HIS 85 6.414 4.360 -6.138 645 HD1 HIS 85 1HD HIS 85 2.788 4.101 -7.236 646 HD2 HIS 85 2HD HIS 85 6.050 6.803 -7.565 647 HE1 HIS 85 1HE HIS 85 1.850 6.269 -7.835 648 H CYS 86 H CYS 86 8.915 4.534 -6.899 649 HA CYS 86 HA CYS 86 9.079 6.973 -8.423 650 HB2 CYS 86 1HB CYS 86 11.091 5.547 -6.595 651 HB3 CYS 86 2HB CYS 86 11.314 7.187 -7.231 652 HG CYS 86 HG CYS 86 8.957 5.959 -5.263 653 H ALA 87 H ALA 87 10.855 3.837 -8.647 654 HA ALA 87 HA ALA 87 12.816 4.874 -10.431 655 HB1 ALA 87 1HB ALA 87 13.189 2.401 -10.943 656 HB2 ALA 87 2HB ALA 87 13.269 2.829 -9.222 657 HB3 ALA 87 3HB ALA 87 11.817 2.034 -9.898 658 H THR 88 H THR 88 9.655 3.293 -10.977 659 HA THR 88 HA THR 88 10.004 3.132 -13.815 660 HB THR 88 HB THR 88 8.606 1.633 -12.543 661 HG1 THR 88 1HG THR 88 6.671 2.694 -14.165 662 HG21 THR 88 3HG2 THR 88 7.483 3.103 -10.946 663 HG22 THR 88 1HG2 THR 88 6.328 2.140 -11.858 664 HG23 THR 88 2HG2 THR 88 6.556 3.843 -12.258 665 H LEU 89 H LEU 89 9.413 5.888 -11.846 666 HA LEU 89 HA LEU 89 8.417 7.471 -14.172 667 HB2 LEU 89 1HB LEU 89 7.901 7.901 -11.211 668 HB3 LEU 89 2HB LEU 89 7.258 8.876 -12.535 669 HG LEU 89 HG LEU 89 6.631 5.958 -12.014 670 HD11 LEU 89 1HD1 LEU 89 4.938 8.408 -11.509 671 HD12 LEU 89 2HD1 LEU 89 5.644 7.294 -10.310 672 HD13 LEU 89 3HD1 LEU 89 4.378 6.723 -11.396 673 HD21 LEU 89 3HD2 LEU 89 5.404 7.887 -14.033 674 HD22 LEU 89 1HD2 LEU 89 4.828 6.240 -13.713 675 HD23 LEU 89 2HD2 LEU 89 6.424 6.501 -14.429 676 H GLY 90 H GLY 90 11.130 7.052 -12.175 677 HA2 GLY 90 1HA GLY 90 13.115 8.237 -12.179 678 HA3 GLY 90 2HA GLY 90 12.390 9.468 -13.208 679 H HIS 91 H HIS 91 10.750 8.655 -10.151 680 HA HIS 91 HA HIS 91 10.711 11.430 -9.471 681 HB2 HIS 91 1HB HIS 91 10.183 9.046 -7.674 682 HB3 HIS 91 2HB HIS 91 9.801 10.705 -7.263 683 HD1 HIS 91 1HD HIS 91 8.365 11.193 -10.392 684 HD2 HIS 91 2HD HIS 91 7.633 8.475 -7.226 685 HE1 HIS 91 1HE HIS 91 5.963 10.507 -10.562 686 H CYS 92 H CYS 92 11.420 12.436 -7.509 687 HA CYS 92 HA CYS 92 14.233 12.076 -6.930 688 HB2 CYS 92 1HB CYS 92 12.129 14.128 -6.141 689 HB3 CYS 92 2HB CYS 92 13.818 14.223 -5.625 690 HG CYS 92 HG CYS 92 13.355 15.849 -7.688 691 H CYS 93 H CYS 93 14.583 12.885 -4.370 692 HA CYS 93 HA CYS 93 13.006 11.480 -2.406 693 HB2 CYS 93 1HB CYS 93 14.454 9.577 -3.062 694 HB3 CYS 93 2HB CYS 93 15.868 10.621 -3.187 695 HG CYS 93 HG CYS 93 16.303 9.109 -1.188 696 H THR 94 H THR 94 13.215 12.602 -0.473 697 HA THR 94 HA THR 94 15.373 14.506 0.001 698 HB THR 94 HB THR 94 13.930 15.675 -1.573 699 HG1 THR 94 1HG THR 94 13.308 17.445 -0.152 700 HG21 THR 94 3HG2 THR 94 11.671 15.136 0.397 701 HG22 THR 94 1HG2 THR 94 11.871 14.452 -1.212 702 HG23 THR 94 2HG2 THR 94 11.580 16.181 -1.031 703 H SER 95 H SER 95 13.994 15.917 1.971 704 HA SER 95 HA SER 95 13.344 15.976 4.119 705 HB2 SER 95 1HB SER 95 11.521 15.958 2.396 706 HB3 SER 95 2HB SER 95 11.147 14.297 2.901 707 HG SER 95 HG SER 95 10.415 15.018 4.745 708 H LYS 96 H LYS 96 15.200 13.732 4.077 709 HA LYS 96 HA LYS 96 15.987 12.163 5.471 710 HB2 LYS 96 1HB LYS 96 15.308 13.255 7.450 711 HB3 LYS 96 2HB LYS 96 13.616 12.791 7.252 712 HG2 LYS 96 1HG LYS 96 14.225 10.377 7.566 713 HG3 LYS 96 2HG LYS 96 15.897 10.890 7.851 714 HD2 LYS 96 1HD LYS 96 14.949 10.600 9.993 715 HD3 LYS 96 2HD LYS 96 14.945 12.359 9.737 716 HE2 LYS 96 1HE LYS 96 12.567 12.232 8.997 717 HE3 LYS 96 2HE LYS 96 12.584 10.486 9.293 718 HZ1 LYS 96 3HZ LYS 96 13.036 12.562 11.351 719 HZ2 LYS 96 1HZ LYS 96 12.976 10.944 11.634 720 HZ3 LYS 96 2HZ LYS 96 11.627 11.694 11.128 721 H MET 97 H MET 97 16.113 10.353 4.496 722 HA MET 97 HA MET 97 15.636 8.308 3.584 723 HB2 MET 97 1HB MET 97 15.437 8.142 6.168 724 HB3 MET 97 2HB MET 97 13.708 8.100 5.897 725 HG2 MET 97 1HG MET 97 14.423 6.137 4.178 726 HG3 MET 97 2HG MET 97 15.847 6.085 5.199 727 HE1 MET 97 3HE MET 97 11.497 5.198 6.500 728 HE2 MET 97 1HE MET 97 12.020 6.861 6.285 729 HE3 MET 97 2HE MET 97 12.007 5.756 4.896 730 H HIS 98 H HIS 98 14.422 10.223 2.219 731 HA HIS 98 HA HIS 98 12.955 10.554 0.576 732 HB2 HIS 98 1HB HIS 98 13.607 8.098 0.204 733 HB3 HIS 98 2HB HIS 98 12.054 7.655 0.850 734 HD1 HIS 98 1HD HIS 98 13.387 7.526 -2.328 735 HD2 HIS 98 2HD HIS 98 10.118 9.658 -0.707 736 HE1 HIS 98 1HE HIS 98 11.871 8.122 -4.259 737 H LEU 99 H LEU 99 10.490 8.324 2.097 738 HA LEU 99 HA LEU 99 9.143 10.583 3.298 739 HB2 LEU 99 1HB LEU 99 8.288 7.681 3.002 740 HB3 LEU 99 2HB LEU 99 7.285 9.109 3.135 741 HG LEU 99 HG LEU 99 7.247 8.437 0.980 742 HD11 LEU 99 1HD1 LEU 99 9.017 10.767 0.733 743 HD12 LEU 99 2HD1 LEU 99 7.305 10.782 1.112 744 HD13 LEU 99 3HD1 LEU 99 7.841 10.175 -0.451 745 HD21 LEU 99 3HD2 LEU 99 8.618 7.723 -0.565 746 HD22 LEU 99 1HD2 LEU 99 8.524 6.711 0.861 747 HD23 LEU 99 2HD2 LEU 99 9.960 7.693 0.585 748 H HIS 100 H HIS 100 9.721 10.926 5.368 749 HA HIS 100 HA HIS 100 10.727 9.101 7.218 750 HB2 HIS 100 1HB HIS 100 10.850 11.459 7.500 751 HB3 HIS 100 2HB HIS 100 9.099 11.617 7.378 752 HD1 HIS 100 1HD HIS 100 8.993 13.017 9.505 753 HD2 HIS 100 2HD HIS 100 10.488 9.107 10.029 754 HE1 HIS 100 1HE HIS 100 9.040 12.572 12.039 755 H SER 101 H SER 101 7.389 9.429 6.126 756 HA SER 101 HA SER 101 6.523 7.309 7.991 757 HB2 SER 101 1HB SER 101 5.192 10.056 7.911 758 HB3 SER 101 2HB SER 101 4.730 8.676 8.920 759 HG SER 101 HG SER 101 6.946 8.817 9.745 760 H VAL 102 H VAL 102 4.143 6.600 7.446 761 HA VAL 102 HA VAL 102 3.986 6.174 4.662 762 HB VAL 102 HB VAL 102 1.891 5.785 6.839 763 HG11 VAL 102 1HG1 VAL 102 0.846 4.141 5.418 764 HG12 VAL 102 2HG1 VAL 102 1.001 5.617 4.460 765 HG13 VAL 102 3HG1 VAL 102 2.125 4.275 4.205 766 HG21 VAL 102 3HG2 VAL 102 4.147 4.002 5.817 767 HG22 VAL 102 1HG2 VAL 102 3.864 4.554 7.484 768 HG23 VAL 102 2HG2 VAL 102 2.785 3.376 6.751 769 H MET 103 H MET 103 2.468 8.474 6.853 770 HA MET 103 HA MET 103 0.621 9.769 5.187 771 HB2 MET 103 1HB MET 103 0.923 10.029 7.666 772 HB3 MET 103 2HB MET 103 2.427 10.884 7.362 773 HG2 MET 103 1HG MET 103 1.188 12.715 7.607 774 HG3 MET 103 2HG MET 103 0.747 12.454 5.931 775 HE1 MET 103 3HE MET 103 -1.325 9.747 6.587 776 HE2 MET 103 1HE MET 103 -2.800 10.704 6.363 777 HE3 MET 103 2HE MET 103 -1.410 10.965 5.289 778 H ASP 104 H ASP 104 4.140 10.256 5.500 779 HA ASP 104 HA ASP 104 4.319 12.674 3.937 780 HB2 ASP 104 1HB ASP 104 6.235 10.874 5.241 781 HB3 ASP 104 2HB ASP 104 6.704 11.151 3.577 782 H ALA 105 H ALA 105 4.712 9.220 3.220 783 HA ALA 105 HA ALA 105 5.330 9.378 0.465 784 HB1 ALA 105 1HB ALA 105 5.639 7.383 1.943 785 HB2 ALA 105 2HB ALA 105 3.907 7.219 2.056 786 HB3 ALA 105 3HB ALA 105 4.691 6.981 0.481 787 H ILE 106 H ILE 106 2.032 8.808 1.996 788 HA ILE 106 HA ILE 106 0.666 8.357 -0.439 789 HB ILE 106 HB ILE 106 -0.361 9.662 2.111 790 HG12 ILE 106 1HG1 ILE 106 0.342 7.361 2.487 791 HG13 ILE 106 2HG1 ILE 106 -1.361 7.593 2.675 792 HG21 ILE 106 1HG2 ILE 106 -1.946 10.336 0.477 793 HG22 ILE 106 2HG2 ILE 106 -1.911 8.769 -0.333 794 HG23 ILE 106 3HG2 ILE 106 -2.671 8.928 1.248 795 HD11 ILE 106 3HD1 ILE 106 -0.068 6.311 0.257 796 HD12 ILE 106 1HD1 ILE 106 -0.866 5.457 1.576 797 HD13 ILE 106 2HD1 ILE 106 -1.824 6.509 0.522 798 H ASP 107 H ASP 107 1.304 11.382 1.315 799 HA ASP 107 HA ASP 107 -0.309 13.062 -0.349 800 HB2 ASP 107 1HB ASP 107 0.487 13.309 2.069 801 HB3 ASP 107 2HB ASP 107 1.985 13.901 1.385 802 H PHE 108 H PHE 108 3.135 12.361 -0.112 803 HA PHE 108 HA PHE 108 4.190 13.943 -2.177 804 HB2 PHE 108 1HB PHE 108 5.519 12.544 -0.547 805 HB3 PHE 108 2HB PHE 108 5.023 11.122 -1.406 806 HD1 PHE 108 1HD PHE 108 6.945 14.329 -1.902 807 HD2 PHE 108 2HD PHE 108 6.119 10.360 -3.318 808 HE1 PHE 108 1HE PHE 108 8.927 14.432 -3.395 809 HE2 PHE 108 2HE PHE 108 8.187 10.349 -4.646 810 HZ PHE 108 HZ PHE 108 9.591 12.447 -4.747 811 H LEU 109 H LEU 109 3.334 10.373 -2.659 812 HA LEU 109 HA LEU 109 3.246 10.329 -5.384 813 HB2 LEU 109 1HB LEU 109 1.598 8.906 -3.263 814 HB3 LEU 109 2HB LEU 109 1.385 8.648 -4.990 815 HG LEU 109 HG LEU 109 3.856 8.147 -5.139 816 HD11 LEU 109 1HD1 LEU 109 4.599 8.912 -2.922 817 HD12 LEU 109 2HD1 LEU 109 5.107 7.306 -3.433 818 HD13 LEU 109 3HD1 LEU 109 3.786 7.493 -2.224 819 HD21 LEU 109 3HD2 LEU 109 3.521 5.787 -4.523 820 HD22 LEU 109 1HD2 LEU 109 2.015 6.422 -5.214 821 HD23 LEU 109 2HD2 LEU 109 2.164 6.241 -3.451 822 H ASN 110 H ASN 110 0.590 11.457 -3.255 823 HA ASN 110 HA ASN 110 -1.246 11.793 -5.420 824 HB2 ASN 110 1HB ASN 110 -1.117 12.827 -2.574 825 HB3 ASN 110 2HB ASN 110 -2.181 13.651 -3.691 826 HD21 ASN 110 1HD2 ASN 110 -1.448 10.294 -2.613 827 HD22 ASN 110 2HD2 ASN 110 -3.115 9.735 -2.793 828 H ALA 111 H ALA 111 1.196 14.032 -4.081 829 HA ALA 111 HA ALA 111 0.180 16.235 -5.747 830 HB1 ALA 111 1HB ALA 111 0.999 16.621 -3.435 831 HB2 ALA 111 2HB ALA 111 2.608 16.039 -3.919 832 HB3 ALA 111 3HB ALA 111 1.928 17.524 -4.638 833 H LEU 112 H LEU 112 2.383 13.608 -6.188 834 HA LEU 112 HA LEU 112 4.160 14.915 -8.078 835 HB2 LEU 112 1HB LEU 112 3.363 12.012 -7.580 836 HB3 LEU 112 2HB LEU 112 4.518 12.462 -8.815 837 HG LEU 112 HG LEU 112 4.964 13.276 -5.928 838 HD11 LEU 112 1HD1 LEU 112 5.118 10.589 -7.101 839 HD12 LEU 112 2HD1 LEU 112 5.251 11.119 -5.428 840 HD13 LEU 112 3HD1 LEU 112 6.682 11.144 -6.476 841 HD21 LEU 112 3HD2 LEU 112 7.260 13.501 -6.660 842 HD22 LEU 112 1HD2 LEU 112 6.165 14.498 -7.614 843 HD23 LEU 112 2HD2 LEU 112 6.798 12.989 -8.308 844 H GLU 113 H GLU 113 1.116 13.237 -8.214 845 HA GLU 113 HA GLU 113 0.740 13.055 -11.057 846 HB2 GLU 113 1HB GLU 113 -1.187 13.289 -8.710 847 HB3 GLU 113 2HB GLU 113 -1.701 12.928 -10.346 848 HG2 GLU 113 1HG GLU 113 0.366 11.133 -9.023 849 HG3 GLU 113 2HG GLU 113 -1.344 11.008 -8.590 850 H GLY 114 H GLY 114 -0.965 14.460 -12.269 851 HA2 GLY 114 1HA GLY 114 -1.906 16.885 -11.452 852 HA3 GLY 114 2HA GLY 114 -0.259 17.258 -11.962 Start of MODEL 13 1 H1 MET 1 H MET 1 -16.356 -1.370 14.100 2 HA MET 1 HA MET 1 -18.448 -0.476 13.374 3 HB2 MET 1 1HB MET 1 -17.005 0.262 11.090 4 HB3 MET 1 2HB MET 1 -18.208 -0.879 10.498 5 HG2 MET 1 1HG MET 1 -19.999 0.383 11.491 6 HG3 MET 1 2HG MET 1 -18.855 1.358 12.423 7 HE1 MET 1 3HE MET 1 -17.560 3.284 11.766 8 HE2 MET 1 1HE MET 1 -16.631 2.432 10.510 9 HE3 MET 1 2HE MET 1 -17.441 3.963 10.130 10 H GLY 2 H GLY 2 -16.913 -3.152 11.315 11 HA2 GLY 2 1HA GLY 2 -17.656 -5.232 12.809 12 HA3 GLY 2 2HA GLY 2 -19.199 -4.847 12.050 13 H ALA 3 H ALA 3 -15.824 -5.775 11.346 14 HA ALA 3 HA ALA 3 -14.847 -6.893 9.662 15 HB1 ALA 3 1HB ALA 3 -16.657 -8.562 10.408 16 HB2 ALA 3 2HB ALA 3 -17.519 -8.110 8.922 17 HB3 ALA 3 3HB ALA 3 -15.902 -8.827 8.839 18 H GLY 4 H GLY 4 -15.490 -7.607 6.996 19 HA2 GLY 4 1HA GLY 4 -16.850 -6.175 5.287 20 HA3 GLY 4 2HA GLY 4 -15.660 -4.947 5.735 21 H GLN 5 H GLN 5 -15.704 -5.698 3.138 22 HA GLN 5 HA GLN 5 -13.949 -7.930 2.569 23 HB2 GLN 5 1HB GLN 5 -14.983 -5.656 0.814 24 HB3 GLN 5 2HB GLN 5 -14.136 -7.078 0.225 25 HG2 GLN 5 1HG GLN 5 -16.012 -8.511 1.102 26 HG3 GLN 5 2HG GLN 5 -16.898 -7.021 1.475 27 HE21 GLN 5 1HE2 GLN 5 -18.548 -6.896 -0.174 28 HE22 GLN 5 2HE2 GLN 5 -18.107 -6.910 -1.859 29 H THR 6 H THR 6 -12.911 -5.503 4.121 30 HA THR 6 HA THR 6 -10.886 -4.212 2.549 31 HB THR 6 HB THR 6 -10.144 -3.868 5.176 32 HG1 THR 6 1HG THR 6 -11.806 -4.989 6.099 33 HG21 THR 6 3HG2 THR 6 -10.721 -2.124 3.450 34 HG22 THR 6 1HG2 THR 6 -11.408 -1.777 5.049 35 HG23 THR 6 2HG2 THR 6 -12.423 -2.441 3.739 36 HA PRO 7 HA PRO 7 -7.812 -7.237 2.709 37 HB2 PRO 7 1HB PRO 7 -5.465 -5.889 2.480 38 HB3 PRO 7 2HB PRO 7 -6.739 -5.806 1.227 39 HG2 PRO 7 1HG PRO 7 -6.129 -3.796 3.394 40 HG3 PRO 7 2HG PRO 7 -6.510 -3.511 1.669 41 HD2 PRO 7 1HD PRO 7 -8.333 -3.439 3.801 42 HD3 PRO 7 2HD PRO 7 -8.791 -3.660 2.086 43 H HIS 8 H HIS 8 -8.483 -7.855 4.956 44 HA HIS 8 HA HIS 8 -7.915 -8.736 6.938 45 HB2 HIS 8 1HB HIS 8 -5.457 -8.529 6.039 46 HB3 HIS 8 2HB HIS 8 -5.338 -7.178 7.101 47 HD1 HIS 8 1HD HIS 8 -3.997 -7.987 9.066 48 HD2 HIS 8 2HD HIS 8 -6.568 -10.918 7.532 49 HE1 HIS 8 1HE HIS 8 -3.681 -10.061 10.524 50 HA PRO 9 HA PRO 9 -9.085 -5.136 9.440 51 HB2 PRO 9 1HB PRO 9 -10.008 -6.248 11.674 52 HB3 PRO 9 2HB PRO 9 -10.763 -6.650 10.108 53 HG2 PRO 9 1HG PRO 9 -8.641 -8.240 11.581 54 HG3 PRO 9 2HG PRO 9 -10.199 -8.830 10.924 55 HD2 PRO 9 1HD PRO 9 -7.812 -9.003 9.550 56 HD3 PRO 9 2HD PRO 9 -9.394 -8.815 8.734 57 H GLN 10 H GLN 10 -6.516 -7.344 10.512 58 HA GLN 10 HA GLN 10 -5.480 -5.674 12.619 59 HB2 GLN 10 1HB GLN 10 -4.899 -8.165 11.586 60 HB3 GLN 10 2HB GLN 10 -3.506 -7.224 11.048 61 HG2 GLN 10 1HG GLN 10 -4.489 -7.709 13.875 62 HG3 GLN 10 2HG GLN 10 -3.109 -8.451 13.105 63 HE21 GLN 10 1HE2 GLN 10 -1.085 -7.365 13.061 64 HE22 GLN 10 2HE2 GLN 10 -0.842 -5.877 13.933 65 H LEU 11 H LEU 11 -5.555 -5.319 9.135 66 HA LEU 11 HA LEU 11 -3.371 -3.454 8.895 67 HB2 LEU 11 1HB LEU 11 -4.283 -4.695 7.012 68 HB3 LEU 11 2HB LEU 11 -5.874 -3.998 7.251 69 HG LEU 11 HG LEU 11 -3.773 -1.928 6.940 70 HD11 LEU 11 1HD1 LEU 11 -3.551 -2.315 4.469 71 HD12 LEU 11 2HD1 LEU 11 -4.244 -3.934 4.721 72 HD13 LEU 11 3HD1 LEU 11 -2.706 -3.488 5.486 73 HD21 LEU 11 3HD2 LEU 11 -5.409 -1.007 5.349 74 HD22 LEU 11 1HD2 LEU 11 -6.189 -1.439 6.872 75 HD23 LEU 11 2HD2 LEU 11 -6.369 -2.496 5.458 76 H ILE 12 H ILE 12 -3.298 -1.386 9.420 77 HA ILE 12 HA ILE 12 -5.719 0.039 10.412 78 HB ILE 12 HB ILE 12 -2.794 0.305 11.202 79 HG12 ILE 12 1HG1 ILE 12 -3.466 -1.786 12.063 80 HG13 ILE 12 2HG1 ILE 12 -3.401 -0.638 13.376 81 HG21 ILE 12 1HG2 ILE 12 -3.602 1.707 13.048 82 HG22 ILE 12 2HG2 ILE 12 -3.994 2.406 11.493 83 HG23 ILE 12 3HG2 ILE 12 -5.270 1.596 12.427 84 HD11 ILE 12 3HD1 ILE 12 -5.931 -1.726 12.067 85 HD12 ILE 12 1HD1 ILE 12 -5.332 -2.045 13.699 86 HD13 ILE 12 2HD1 ILE 12 -5.917 -0.426 13.275 87 H TRP 13 H TRP 13 -6.311 1.194 8.584 88 HA TRP 13 HA TRP 13 -4.789 2.309 6.613 89 HB2 TRP 13 1HB TRP 13 -7.231 3.639 7.836 90 HB3 TRP 13 2HB TRP 13 -6.622 3.873 6.226 91 HD1 TRP 13 HD TRP 13 -8.686 1.432 8.243 92 HE1 TRP 13 1HE TRP 13 -9.277 -0.637 6.816 93 HE3 TRP 13 3HE TRP 13 -6.040 2.523 3.983 94 HZ2 TRP 13 2HZ TRP 13 -8.827 -1.565 4.228 95 HZ3 TRP 13 3HZ TRP 13 -6.060 0.928 2.078 96 HH2 TRP 13 HH TRP 13 -7.410 -1.146 2.188 97 HA PRO 14 HA PRO 14 -4.862 4.416 5.267 98 HB2 PRO 14 1HB PRO 14 -2.612 5.441 4.216 99 HB3 PRO 14 2HB PRO 14 -3.857 6.506 4.879 100 HG2 PRO 14 1HG PRO 14 -1.345 5.594 6.250 101 HG3 PRO 14 2HG PRO 14 -2.032 7.248 6.183 102 HD2 PRO 14 1HD PRO 14 -2.456 5.621 8.321 103 HD3 PRO 14 2HD PRO 14 -3.758 6.691 7.707 104 H ALA 15 H ALA 15 -3.759 3.270 3.328 105 HA ALA 15 HA ALA 15 -1.477 1.602 4.160 106 HB1 ALA 15 1HB ALA 15 -3.572 0.318 4.719 107 HB2 ALA 15 2HB ALA 15 -3.969 0.334 2.977 108 HB3 ALA 15 3HB ALA 15 -2.499 -0.463 3.558 109 H LEU 16 H LEU 16 -0.797 0.219 2.294 110 HA LEU 16 HA LEU 16 -0.813 1.653 -0.294 111 HB2 LEU 16 1HB LEU 16 1.496 1.172 1.607 112 HB3 LEU 16 2HB LEU 16 1.797 1.164 -0.127 113 HG LEU 16 HG LEU 16 0.327 3.476 1.183 114 HD11 LEU 16 1HD1 LEU 16 3.341 3.262 0.782 115 HD12 LEU 16 2HD1 LEU 16 2.475 3.323 2.337 116 HD13 LEU 16 3HD1 LEU 16 2.443 4.719 1.258 117 HD21 LEU 16 3HD2 LEU 16 0.915 4.692 -0.769 118 HD22 LEU 16 1HD2 LEU 16 0.382 3.115 -1.382 119 HD23 LEU 16 2HD2 LEU 16 2.107 3.494 -1.275 120 H LEU 17 H LEU 17 -1.556 0.141 -1.579 121 HA LEU 17 HA LEU 17 -0.828 -2.737 -1.369 122 HB2 LEU 17 1HB LEU 17 -3.134 -2.057 -2.046 123 HB3 LEU 17 2HB LEU 17 -2.456 -1.089 -3.338 124 HG LEU 17 HG LEU 17 -1.584 -3.257 -4.392 125 HD11 LEU 17 1HD1 LEU 17 -3.514 -4.463 -2.357 126 HD12 LEU 17 2HD1 LEU 17 -1.760 -4.758 -2.463 127 HD13 LEU 17 3HD1 LEU 17 -2.839 -5.307 -3.757 128 HD21 LEU 17 3HD2 LEU 17 -4.606 -3.037 -4.082 129 HD22 LEU 17 1HD2 LEU 17 -3.699 -3.750 -5.435 130 HD23 LEU 17 2HD2 LEU 17 -3.630 -2.008 -5.144 131 H LYS 18 H LYS 18 0.612 -3.728 -3.059 132 HA LYS 18 HA LYS 18 1.753 -1.774 -4.964 133 HB2 LYS 18 1HB LYS 18 3.093 -1.950 -2.693 134 HB3 LYS 18 2HB LYS 18 3.764 -3.429 -3.376 135 HG2 LYS 18 1HG LYS 18 3.694 -0.774 -4.807 136 HG3 LYS 18 2HG LYS 18 5.049 -1.269 -3.800 137 HD2 LYS 18 1HD LYS 18 4.116 -2.700 -6.323 138 HD3 LYS 18 2HD LYS 18 5.486 -1.624 -6.183 139 HE2 LYS 18 1HE LYS 18 6.817 -3.129 -5.373 140 HE3 LYS 18 2HE LYS 18 5.671 -3.708 -4.165 141 HZ1 LYS 18 3HZ LYS 18 4.759 -5.208 -5.686 142 HZ2 LYS 18 1HZ LYS 18 6.384 -5.352 -5.880 143 HZ3 LYS 18 2HZ LYS 18 5.462 -4.527 -6.985 144 H GLN 19 H GLN 19 0.621 -2.979 -6.587 145 HA GLN 19 HA GLN 19 0.352 -5.568 -6.798 146 HB2 GLN 19 1HB GLN 19 1.003 -4.092 -9.334 147 HB3 GLN 19 2HB GLN 19 0.046 -5.551 -9.164 148 HG2 GLN 19 1HG GLN 19 -1.569 -4.112 -7.738 149 HG3 GLN 19 2HG GLN 19 -0.675 -2.742 -8.452 150 HE21 GLN 19 1HE2 GLN 19 -2.806 -5.463 -9.190 151 HE22 GLN 19 2HE2 GLN 19 -3.298 -4.885 -10.758 152 H GLN 20 H GLN 20 1.132 -7.457 -7.568 153 HA GLN 20 HA GLN 20 3.961 -7.728 -7.619 154 HB2 GLN 20 1HB GLN 20 1.961 -9.262 -6.714 155 HB3 GLN 20 2HB GLN 20 1.986 -9.966 -8.314 156 HG2 GLN 20 1HG GLN 20 4.642 -9.730 -6.922 157 HG3 GLN 20 2HG GLN 20 3.454 -10.743 -6.122 158 HE21 GLN 20 1HE2 GLN 20 3.570 -12.909 -6.675 159 HE22 GLN 20 2HE2 GLN 20 4.216 -13.497 -8.176 160 H GLY 21 H GLY 21 4.637 -6.509 -9.250 161 HA2 GLY 21 1HA GLY 21 5.826 -7.380 -11.334 162 HA3 GLY 21 2HA GLY 21 4.215 -7.405 -12.052 163 H CYS 22 H CYS 22 3.346 -4.999 -10.492 164 HA CYS 22 HA CYS 22 4.107 -3.327 -12.787 165 HB2 CYS 22 1HB CYS 22 1.763 -3.530 -11.153 166 HB3 CYS 22 2HB CYS 22 2.377 -1.910 -10.886 167 HG CYS 22 HG CYS 22 0.550 -1.683 -12.622 168 H ASN 23 H ASN 23 4.944 -3.225 -9.413 169 HA ASN 23 HA ASN 23 6.672 -2.152 -8.359 170 HB2 ASN 23 1HB ASN 23 7.239 -0.390 -10.762 171 HB3 ASN 23 2HB ASN 23 8.297 -0.743 -9.466 172 HD21 ASN 23 1HD2 ASN 23 7.330 -1.718 -12.602 173 HD22 ASN 23 2HD2 ASN 23 7.871 -3.368 -12.571 174 H GLU 24 H GLU 24 4.136 -0.413 -10.028 175 HA GLU 24 HA GLU 24 4.170 2.038 -8.594 176 HB2 GLU 24 1HB GLU 24 2.760 1.019 -10.667 177 HB3 GLU 24 2HB GLU 24 1.701 0.451 -9.409 178 HG2 GLU 24 1HG GLU 24 1.569 2.970 -8.679 179 HG3 GLU 24 2HG GLU 24 2.376 3.309 -10.220 180 H LEU 25 H LEU 25 2.856 2.750 -6.843 181 HA LEU 25 HA LEU 25 1.989 0.723 -4.859 182 HB2 LEU 25 1HB LEU 25 3.170 3.519 -4.666 183 HB3 LEU 25 2HB LEU 25 2.198 2.863 -3.361 184 HG LEU 25 HG LEU 25 4.384 1.089 -4.369 185 HD11 LEU 25 1HD1 LEU 25 4.987 3.608 -2.887 186 HD12 LEU 25 2HD1 LEU 25 5.497 3.081 -4.496 187 HD13 LEU 25 3HD1 LEU 25 6.077 2.182 -3.081 188 HD21 LEU 25 3HD2 LEU 25 3.648 1.848 -1.518 189 HD22 LEU 25 1HD2 LEU 25 4.610 0.463 -2.057 190 HD23 LEU 25 2HD2 LEU 25 2.869 0.516 -2.402 191 H LEU 26 H LEU 26 0.048 1.133 -3.913 192 HA LEU 26 HA LEU 26 -1.728 3.126 -5.234 193 HB2 LEU 26 1HB LEU 26 -2.018 0.334 -5.143 194 HB3 LEU 26 2HB LEU 26 -3.211 0.952 -4.013 195 HG LEU 26 HG LEU 26 -4.154 0.688 -6.200 196 HD11 LEU 26 1HD1 LEU 26 -3.887 3.641 -5.537 197 HD12 LEU 26 2HD1 LEU 26 -5.005 2.499 -4.765 198 HD13 LEU 26 3HD1 LEU 26 -5.176 2.889 -6.481 199 HD21 LEU 26 3HD2 LEU 26 -3.047 1.106 -8.098 200 HD22 LEU 26 1HD2 LEU 26 -1.693 1.797 -7.209 201 HD23 LEU 26 2HD2 LEU 26 -3.014 2.832 -7.738 202 HA PRO 27 HA PRO 27 -1.469 4.527 -0.818 203 HB2 PRO 27 1HB PRO 27 -1.995 7.179 -1.316 204 HB3 PRO 27 2HB PRO 27 -0.369 6.477 -1.531 205 HG2 PRO 27 1HG PRO 27 -2.486 6.966 -3.638 206 HG3 PRO 27 2HG PRO 27 -0.754 7.384 -3.707 207 HD2 PRO 27 1HD PRO 27 -1.737 5.144 -4.871 208 HD3 PRO 27 2HD PRO 27 -0.135 5.124 -4.090 209 H LEU 28 H LEU 28 -3.278 4.234 0.446 210 HA LEU 28 HA LEU 28 -5.913 5.179 -0.616 211 HB2 LEU 28 1HB LEU 28 -5.415 2.560 0.803 212 HB3 LEU 28 2HB LEU 28 -6.924 3.128 0.317 213 HG LEU 28 HG LEU 28 -4.873 2.910 -1.902 214 HD11 LEU 28 1HD1 LEU 28 -5.249 0.447 -2.063 215 HD12 LEU 28 2HD1 LEU 28 -5.865 0.509 -0.380 216 HD13 LEU 28 3HD1 LEU 28 -4.201 0.985 -0.734 217 HD21 LEU 28 3HD2 LEU 28 -6.772 2.036 -3.152 218 HD22 LEU 28 1HD2 LEU 28 -7.152 3.585 -2.392 219 HD23 LEU 28 2HD2 LEU 28 -7.769 2.083 -1.686 220 H ARG 29 H ARG 29 -6.618 6.644 0.677 221 HA ARG 29 HA ARG 29 -5.288 7.347 3.103 222 HB2 ARG 29 1HB ARG 29 -7.972 8.307 1.989 223 HB3 ARG 29 2HB ARG 29 -7.181 9.013 3.386 224 HG2 ARG 29 1HG ARG 29 -5.240 8.990 1.256 225 HG3 ARG 29 2HG ARG 29 -6.759 9.572 0.577 226 HD2 ARG 29 1HD ARG 29 -6.921 11.339 2.261 227 HD3 ARG 29 2HD ARG 29 -5.560 10.663 3.153 228 HE ARG 29 HE ARG 29 -4.144 11.839 1.931 229 HH11 ARG 29 1HH1 ARG 29 -7.164 11.879 0.030 230 HH12 ARG 29 2HH1 ARG 29 -6.618 13.181 -0.967 231 HH21 ARG 29 1HH2 ARG 29 -3.501 13.535 0.622 232 HH22 ARG 29 2HH2 ARG 29 -4.460 14.028 -0.723 233 H THR 30 H THR 30 -8.498 5.760 2.702 234 HA THR 30 HA THR 30 -8.359 4.840 5.478 235 HB THR 30 HB THR 30 -10.598 5.520 6.014 236 HG1 THR 30 1HG THR 30 -11.936 6.458 4.666 237 HG21 THR 30 3HG2 THR 30 -9.121 7.989 5.034 238 HG22 THR 30 1HG2 THR 30 -8.806 7.139 6.561 239 HG23 THR 30 2HG2 THR 30 -10.374 7.910 6.287 240 H ASN 31 H ASN 31 -10.486 3.362 5.786 241 HA ASN 31 HA ASN 31 -10.540 1.222 3.918 242 HB2 ASN 31 1HB ASN 31 -11.411 0.611 5.971 243 HB3 ASN 31 2HB ASN 31 -12.149 2.165 6.251 244 HD21 ASN 31 1HD2 ASN 31 -12.802 -0.150 3.490 245 HD22 ASN 31 2HD2 ASN 31 -14.453 -0.417 4.002 246 H ASP 32 H ASP 32 -12.409 4.281 4.061 247 HA ASP 32 HA ASP 32 -14.329 3.581 2.093 248 HB2 ASP 32 1HB ASP 32 -13.233 6.374 2.620 249 HB3 ASP 32 2HB ASP 32 -14.818 5.936 1.975 250 H ASP 33 H ASP 33 -10.985 4.686 1.876 251 HA ASP 33 HA ASP 33 -11.066 5.396 -0.950 252 HB2 ASP 33 1HB ASP 33 -9.130 5.485 1.223 253 HB3 ASP 33 2HB ASP 33 -8.429 4.700 -0.181 254 H TRP 34 H TRP 34 -10.164 2.541 1.010 255 HA TRP 34 HA TRP 34 -9.374 0.912 -1.177 256 HB2 TRP 34 1HB TRP 34 -8.781 0.246 0.932 257 HB3 TRP 34 2HB TRP 34 -10.439 0.185 1.552 258 HD1 TRP 34 HD TRP 34 -11.759 -2.043 1.150 259 HE1 TRP 34 1HE TRP 34 -11.292 -4.261 0.003 260 HE3 TRP 34 3HE TRP 34 -7.321 -0.851 -1.019 261 HZ2 TRP 34 2HZ TRP 34 -9.342 -5.274 -1.931 262 HZ3 TRP 34 3HZ TRP 34 -6.100 -2.459 -2.403 263 HH2 TRP 34 HH TRP 34 -7.112 -4.724 -2.898 264 H GLN 35 H GLN 35 -12.596 1.464 0.346 265 HA GLN 35 HA GLN 35 -14.155 -0.283 -1.302 266 HB2 GLN 35 1HB GLN 35 -14.876 2.390 -0.027 267 HB3 GLN 35 2HB GLN 35 -16.046 1.317 -0.751 268 HG2 GLN 35 1HG GLN 35 -14.282 0.295 1.485 269 HG3 GLN 35 2HG GLN 35 -15.655 1.340 1.824 270 HE21 GLN 35 1HE2 GLN 35 -17.653 0.301 2.162 271 HE22 GLN 35 2HE2 GLN 35 -17.965 -1.348 1.646 272 H ARG 36 H ARG 36 -13.021 3.053 -1.814 273 HA ARG 36 HA ARG 36 -14.432 3.618 -4.235 274 HB2 ARG 36 1HB ARG 36 -12.596 4.869 -2.433 275 HB3 ARG 36 2HB ARG 36 -11.783 4.893 -3.976 276 HG2 ARG 36 1HG ARG 36 -13.354 6.270 -4.936 277 HG3 ARG 36 2HG ARG 36 -14.669 5.804 -3.847 278 HD2 ARG 36 1HD ARG 36 -13.731 7.004 -2.012 279 HD3 ARG 36 2HD ARG 36 -12.195 7.253 -2.855 280 HE ARG 36 HE ARG 36 -13.059 8.922 -4.124 281 HH11 ARG 36 1HH1 ARG 36 -15.747 7.664 -2.056 282 HH12 ARG 36 2HH1 ARG 36 -16.871 8.790 -2.725 283 HH21 ARG 36 1HH2 ARG 36 -14.670 10.330 -4.975 284 HH22 ARG 36 2HH2 ARG 36 -16.303 10.206 -4.423 285 H PHE 37 H PHE 37 -11.690 1.525 -3.659 286 HA PHE 37 HA PHE 37 -10.636 1.793 -6.326 287 HB2 PHE 37 1HB PHE 37 -9.472 0.930 -4.151 288 HB3 PHE 37 2HB PHE 37 -10.357 -0.575 -4.385 289 HD1 PHE 37 2HD PHE 37 -7.912 1.747 -6.024 290 HD2 PHE 37 1HD PHE 37 -9.426 -2.283 -5.729 291 HE1 PHE 37 2HE PHE 37 -6.128 0.967 -7.542 292 HE2 PHE 37 1HE PHE 37 -7.584 -3.070 -7.213 293 HZ PHE 37 HZ PHE 37 -5.935 -1.435 -8.105 294 H CYS 38 H CYS 38 -12.382 -0.942 -4.748 295 HA CYS 38 HA CYS 38 -12.913 -2.307 -7.218 296 HB2 CYS 38 1HB CYS 38 -14.576 -3.538 -5.769 297 HB3 CYS 38 2HB CYS 38 -12.946 -3.454 -5.092 298 HG CYS 38 HG CYS 38 -15.171 -3.213 -3.360 299 H ALA 39 H ALA 39 -14.606 0.287 -5.606 300 HA ALA 39 HA ALA 39 -17.062 0.013 -7.154 301 HB1 ALA 39 1HB ALA 39 -16.044 2.351 -5.489 302 HB2 ALA 39 2HB ALA 39 -17.713 2.093 -6.059 303 HB3 ALA 39 3HB ALA 39 -17.017 0.993 -4.873 304 H ASP 40 H ASP 40 -13.868 1.314 -7.948 305 HA ASP 40 HA ASP 40 -15.039 2.740 -10.206 306 HB2 ASP 40 1HB ASP 40 -14.410 4.187 -8.016 307 HB3 ASP 40 2HB ASP 40 -12.847 4.077 -8.715 308 H SER 41 H SER 41 -14.374 0.996 -11.336 309 HA SER 41 HA SER 41 -13.127 -0.103 -12.829 310 HB2 SER 41 1HB SER 41 -11.638 2.068 -12.798 311 HB3 SER 41 2HB SER 41 -10.491 1.028 -11.931 312 HG SER 41 HG SER 41 -11.151 1.151 -14.535 313 H LYS 42 H LYS 42 -13.132 -2.184 -12.309 314 HA LYS 42 HA LYS 42 -12.117 -3.216 -9.760 315 HB2 LYS 42 1HB LYS 42 -13.186 -4.794 -12.123 316 HB3 LYS 42 2HB LYS 42 -12.935 -5.346 -10.463 317 HG2 LYS 42 1HG LYS 42 -14.852 -4.217 -9.663 318 HG3 LYS 42 2HG LYS 42 -15.016 -3.238 -11.145 319 HD2 LYS 42 1HD LYS 42 -15.412 -5.202 -12.500 320 HD3 LYS 42 2HD LYS 42 -15.190 -6.289 -11.122 321 HE2 LYS 42 1HE LYS 42 -17.243 -5.727 -10.168 322 HE3 LYS 42 2HE LYS 42 -17.316 -4.156 -10.984 323 HZ1 LYS 42 3HZ LYS 42 -18.075 -5.069 -12.865 324 HZ2 LYS 42 1HZ LYS 42 -18.715 -6.190 -11.821 325 HZ3 LYS 42 2HZ LYS 42 -17.343 -6.534 -12.653 326 H HIS 43 H HIS 43 -10.087 -2.138 -10.580 327 HA HIS 43 HA HIS 43 -8.328 -3.125 -12.468 328 HB2 HIS 43 1HB HIS 43 -8.056 -1.274 -10.636 329 HB3 HIS 43 2HB HIS 43 -7.353 -2.573 -9.679 330 HD1 HIS 43 1HD HIS 43 -6.011 0.156 -11.308 331 HD2 HIS 43 2HD HIS 43 -5.433 -3.987 -11.882 332 HE1 HIS 43 1HE HIS 43 -3.754 -0.134 -12.438 333 H LEU 44 H LEU 44 -7.238 -5.003 -12.771 334 HA LEU 44 HA LEU 44 -7.805 -7.449 -11.596 335 HB2 LEU 44 1HB LEU 44 -5.019 -6.861 -12.504 336 HB3 LEU 44 2HB LEU 44 -5.879 -8.380 -12.467 337 HG LEU 44 HG LEU 44 -7.519 -6.812 -14.128 338 HD11 LEU 44 1HD1 LEU 44 -5.900 -5.807 -15.750 339 HD12 LEU 44 2HD1 LEU 44 -4.572 -6.234 -14.653 340 HD13 LEU 44 3HD1 LEU 44 -5.783 -5.058 -14.144 341 HD21 LEU 44 3HD2 LEU 44 -6.875 -9.162 -14.399 342 HD22 LEU 44 1HD2 LEU 44 -5.264 -8.660 -14.979 343 HD23 LEU 44 2HD2 LEU 44 -6.718 -8.246 -15.910 344 H LEU 45 H LEU 45 -6.870 -8.701 -9.893 345 HA LEU 45 HA LEU 45 -4.840 -7.380 -8.151 346 HB2 LEU 45 1HB LEU 45 -7.468 -8.711 -7.406 347 HB3 LEU 45 2HB LEU 45 -6.174 -8.514 -6.239 348 HG LEU 45 HG LEU 45 -7.243 -6.110 -7.765 349 HD11 LEU 45 1HD1 LEU 45 -8.447 -7.324 -5.260 350 HD12 LEU 45 2HD1 LEU 45 -9.222 -7.124 -6.844 351 HD13 LEU 45 3HD1 LEU 45 -8.779 -5.689 -5.871 352 HD21 LEU 45 3HD2 LEU 45 -5.146 -5.885 -6.378 353 HD22 LEU 45 1HD2 LEU 45 -6.100 -6.322 -4.953 354 HD23 LEU 45 2HD2 LEU 45 -6.472 -4.840 -5.859 355 H GLN 46 H GLN 46 -3.143 -8.683 -7.915 356 HA GLN 46 HA GLN 46 -3.318 -11.586 -8.533 357 HB2 GLN 46 1HB GLN 46 -0.990 -9.597 -8.592 358 HB3 GLN 46 2HB GLN 46 -0.835 -11.311 -8.930 359 HG2 GLN 46 1HG GLN 46 -1.976 -11.139 -10.975 360 HG3 GLN 46 2HG GLN 46 -2.889 -9.740 -10.502 361 HE21 GLN 46 1HE2 GLN 46 -1.808 -7.615 -10.553 362 HE22 GLN 46 2HE2 GLN 46 -0.447 -7.491 -11.647 363 H TYR 47 H TYR 47 -2.224 -13.052 -7.117 364 HA TYR 47 HA TYR 47 -2.388 -12.266 -4.285 365 HB2 TYR 47 1HB TYR 47 -1.330 -14.828 -5.608 366 HB3 TYR 47 2HB TYR 47 -1.657 -14.613 -3.891 367 HD1 TYR 47 1HD TYR 47 -4.135 -13.727 -3.346 368 HD2 TYR 47 2HD TYR 47 -2.962 -16.048 -6.802 369 HE1 TYR 47 1HE TYR 47 -6.485 -14.377 -3.722 370 HE2 TYR 47 2HE TYR 47 -5.340 -16.708 -7.156 371 HH TYR 47 HH TYR 47 -7.542 -16.673 -5.059 372 H GLY 48 H GLY 48 -0.589 -12.439 -2.823 373 HA2 GLY 48 1HA GLY 48 1.446 -11.757 -2.162 374 HA3 GLY 48 2HA GLY 48 2.126 -12.276 -3.714 375 H ASP 49 H ASP 49 -0.417 -9.870 -3.982 376 HA ASP 49 HA ASP 49 1.224 -7.840 -4.973 377 HB2 ASP 49 1HB ASP 49 -1.581 -8.071 -3.964 378 HB3 ASP 49 2HB ASP 49 -0.886 -6.455 -3.959 379 H LYS 50 H LYS 50 0.607 -8.584 -1.635 380 HA LYS 50 HA LYS 50 1.444 -7.885 0.303 381 HB2 LYS 50 1HB LYS 50 3.588 -7.385 -1.104 382 HB3 LYS 50 2HB LYS 50 3.107 -5.699 -0.965 383 HG2 LYS 50 1HG LYS 50 3.062 -5.940 1.530 384 HG3 LYS 50 2HG LYS 50 3.574 -7.624 1.363 385 HD2 LYS 50 1HD LYS 50 5.184 -5.186 0.515 386 HD3 LYS 50 2HD LYS 50 5.392 -6.117 1.998 387 HE2 LYS 50 1HE LYS 50 5.528 -8.111 0.094 388 HE3 LYS 50 2HE LYS 50 6.221 -6.748 -0.791 389 HZ1 LYS 50 3HZ LYS 50 7.708 -6.455 1.193 390 HZ2 LYS 50 1HZ LYS 50 7.992 -7.828 0.339 391 HZ3 LYS 50 2HZ LYS 50 7.166 -7.875 1.776 392 H LEU 51 H LEU 51 0.786 -6.412 1.860 393 HA LEU 51 HA LEU 51 -0.258 -3.771 1.048 394 HB2 LEU 51 1HB LEU 51 -1.822 -5.885 2.395 395 HB3 LEU 51 2HB LEU 51 -1.555 -4.521 3.465 396 HG LEU 51 HG LEU 51 -3.611 -4.123 2.500 397 HD11 LEU 51 1HD1 LEU 51 -3.441 -2.039 1.464 398 HD12 LEU 51 2HD1 LEU 51 -1.943 -2.465 0.628 399 HD13 LEU 51 3HD1 LEU 51 -1.919 -2.181 2.380 400 HD21 LEU 51 3HD2 LEU 51 -3.616 -5.712 0.717 401 HD22 LEU 51 1HD2 LEU 51 -2.427 -4.774 -0.204 402 HD23 LEU 51 2HD2 LEU 51 -4.069 -4.131 0.061 403 H VAL 52 H VAL 52 0.429 -2.191 2.470 404 HA VAL 52 HA VAL 52 1.770 -2.972 4.983 405 HB VAL 52 HB VAL 52 2.840 -1.083 2.835 406 HG11 VAL 52 1HG1 VAL 52 4.686 -0.588 4.396 407 HG12 VAL 52 2HG1 VAL 52 3.127 -0.073 5.072 408 HG13 VAL 52 3HG1 VAL 52 3.871 -1.531 5.671 409 HG21 VAL 52 3HG2 VAL 52 3.480 -3.441 2.462 410 HG22 VAL 52 1HG2 VAL 52 4.881 -2.510 3.003 411 HG23 VAL 52 2HG2 VAL 52 4.030 -3.557 4.153 412 H ASP 53 H ASP 53 1.259 -1.541 6.645 413 HA ASP 53 HA ASP 53 -0.599 0.680 6.049 414 HB2 ASP 53 1HB ASP 53 -1.972 -0.021 7.770 415 HB3 ASP 53 2HB ASP 53 -1.571 -1.487 6.932 416 H SER 54 H SER 54 -0.847 1.946 8.311 417 HA SER 54 HA SER 54 1.662 3.328 8.704 418 HB2 SER 54 1HB SER 54 -1.129 3.523 9.773 419 HB3 SER 54 2HB SER 54 0.135 4.147 10.833 420 HG SER 54 HG SER 54 0.948 5.413 9.162 421 H ASN 55 H ASN 55 0.565 0.412 10.195 422 HA ASN 55 HA ASN 55 2.207 0.830 12.640 423 HB2 ASN 55 1HB ASN 55 0.176 -1.241 11.755 424 HB3 ASN 55 2HB ASN 55 1.373 -1.609 12.986 425 HD21 ASN 55 1HD2 ASN 55 -1.217 0.818 12.438 426 HD22 ASN 55 2HD2 ASN 55 -1.322 0.965 14.192 427 H PHE 56 H PHE 56 2.680 0.031 9.426 428 HA PHE 56 HA PHE 56 4.161 -1.082 8.190 429 HB2 PHE 56 1HB PHE 56 5.929 -1.263 10.661 430 HB3 PHE 56 2HB PHE 56 6.325 -1.815 9.101 431 HD1 PHE 56 2HD PHE 56 4.849 1.525 10.165 432 HD2 PHE 56 1HD PHE 56 8.007 -0.651 8.160 433 HE1 PHE 56 2HE PHE 56 5.785 3.621 9.354 434 HE2 PHE 56 1HE PHE 56 8.954 1.474 7.371 435 HZ PHE 56 HZ PHE 56 7.855 3.644 7.963 436 H HIS 57 H HIS 57 1.891 -2.439 9.500 437 HA HIS 57 HA HIS 57 2.826 -5.192 9.992 438 HB2 HIS 57 1HB HIS 57 0.096 -4.072 9.296 439 HB3 HIS 57 2HB HIS 57 0.465 -5.735 9.778 440 HD1 HIS 57 1HD HIS 57 -1.475 -3.462 11.244 441 HD2 HIS 57 2HD HIS 57 2.376 -4.831 12.359 442 HE1 HIS 57 1HE HIS 57 -1.355 -3.288 13.783 443 H CYS 58 H CYS 58 3.648 -6.360 8.279 444 HA CYS 58 HA CYS 58 2.897 -5.615 5.518 445 HB2 CYS 58 1HB CYS 58 4.944 -7.442 6.786 446 HB3 CYS 58 2HB CYS 58 4.201 -7.987 5.285 447 HG CYS 58 HG CYS 58 6.275 -6.974 4.475 448 H PHE 59 H PHE 59 1.554 -6.859 4.303 449 HA PHE 59 HA PHE 59 0.433 -9.357 5.427 450 HB2 PHE 59 1HB PHE 59 -1.179 -7.209 4.012 451 HB3 PHE 59 2HB PHE 59 -1.786 -8.754 4.578 452 HD1 PHE 59 2HD PHE 59 -1.824 -9.204 7.086 453 HD2 PHE 59 1HD PHE 59 -1.021 -5.299 5.485 454 HE1 PHE 59 2HE PHE 59 -2.024 -8.213 9.366 455 HE2 PHE 59 1HE PHE 59 -1.506 -4.290 7.684 456 HZ PHE 59 HZ PHE 59 -1.998 -5.729 9.637 457 H VAL 60 H VAL 60 -0.386 -10.718 3.690 458 HA VAL 60 HA VAL 60 0.608 -10.334 0.943 459 HB VAL 60 HB VAL 60 1.204 -12.558 2.901 460 HG11 VAL 60 1HG1 VAL 60 0.439 -13.771 0.936 461 HG12 VAL 60 2HG1 VAL 60 1.357 -12.707 -0.150 462 HG13 VAL 60 3HG1 VAL 60 2.193 -13.833 0.924 463 HG21 VAL 60 3HG2 VAL 60 3.467 -12.266 2.434 464 HG22 VAL 60 1HG2 VAL 60 3.115 -11.378 0.940 465 HG23 VAL 60 2HG2 VAL 60 2.847 -10.603 2.515 466 H LEU 61 H LEU 61 -0.857 -11.111 -0.458 467 HA LEU 61 HA LEU 61 -3.531 -11.965 0.442 468 HB2 LEU 61 1HB LEU 61 -2.832 -10.361 -1.538 469 HB3 LEU 61 2HB LEU 61 -2.386 -11.815 -2.364 470 HG LEU 61 HG LEU 61 -4.910 -10.564 -1.861 471 HD11 LEU 61 1HD1 LEU 61 -4.459 -11.884 -4.408 472 HD12 LEU 61 2HD1 LEU 61 -3.820 -10.323 -3.903 473 HD13 LEU 61 3HD1 LEU 61 -5.558 -10.617 -3.940 474 HD21 LEU 61 3HD2 LEU 61 -6.358 -12.474 -2.556 475 HD22 LEU 61 1HD2 LEU 61 -6.103 -11.944 -0.885 476 HD23 LEU 61 2HD2 LEU 61 -5.219 -13.318 -1.500 477 H GLU 62 H GLU 62 -4.278 -14.110 0.185 478 HA GLU 62 HA GLU 62 -2.305 -16.068 -0.833 479 HB2 GLU 62 1HB GLU 62 -4.451 -16.903 1.050 480 HB3 GLU 62 2HB GLU 62 -2.969 -17.737 0.547 481 HG2 GLU 62 1HG GLU 62 -1.964 -15.373 1.587 482 HG3 GLU 62 2HG GLU 62 -3.374 -15.531 2.441 483 H GLU 63 H GLU 63 -3.241 -17.877 -1.977 484 HA GLU 63 HA GLU 63 -5.010 -17.224 -3.980 485 HB2 GLU 63 1HB GLU 63 -3.718 -19.670 -3.123 486 HB3 GLU 63 2HB GLU 63 -5.336 -20.036 -3.737 487 HG2 GLU 63 1HG GLU 63 -4.891 -18.803 -5.809 488 HG3 GLU 63 2HG GLU 63 -3.318 -18.278 -5.203 489 H ASP 64 H ASP 64 -5.843 -18.197 -0.881 490 HA ASP 64 HA ASP 64 -8.583 -18.849 -0.968 491 HB2 ASP 64 1HB ASP 64 -6.539 -18.603 0.949 492 HB3 ASP 64 2HB ASP 64 -7.660 -17.336 1.391 493 H ALA 65 H ALA 65 -7.127 -15.696 -1.653 494 HA ALA 65 HA ALA 65 -7.968 -13.758 -2.031 495 HB1 ALA 65 1HB ALA 65 -10.216 -13.350 -2.687 496 HB2 ALA 65 2HB ALA 65 -9.732 -14.920 -3.338 497 HB3 ALA 65 3HB ALA 65 -10.786 -14.833 -1.906 498 H HIS 66 H HIS 66 -7.237 -14.658 0.488 499 HA HIS 66 HA HIS 66 -8.384 -12.388 2.015 500 HB2 HIS 66 1HB HIS 66 -8.097 -13.504 4.100 501 HB3 HIS 66 2HB HIS 66 -9.162 -14.434 3.072 502 HD1 HIS 66 1HD HIS 66 -8.761 -16.644 4.343 503 HD2 HIS 66 2HD HIS 66 -5.288 -14.974 2.602 504 HE1 HIS 66 1HE HIS 66 -6.898 -18.266 4.798 505 H TRP 67 H TRP 67 -6.771 -11.700 3.799 506 HA TRP 67 HA TRP 67 -4.033 -11.600 2.621 507 HB2 TRP 67 1HB TRP 67 -5.725 -9.504 4.043 508 HB3 TRP 67 2HB TRP 67 -3.981 -9.396 3.906 509 HD1 TRP 67 HD TRP 67 -7.097 -9.322 1.641 510 HE1 TRP 67 1HE TRP 67 -6.435 -8.222 -0.621 511 HE3 TRP 67 3HE TRP 67 -2.106 -9.033 2.340 512 HZ2 TRP 67 2HZ TRP 67 -4.013 -7.444 -1.969 513 HZ3 TRP 67 3HZ TRP 67 -0.618 -8.210 0.597 514 HH2 TRP 67 HH TRP 67 -1.566 -7.333 -1.595 515 H HIS 68 H HIS 68 -2.505 -12.748 3.987 516 HA HIS 68 HA HIS 68 -3.425 -13.267 6.709 517 HB2 HIS 68 1HB HIS 68 -1.908 -14.993 6.655 518 HB3 HIS 68 2HB HIS 68 -2.497 -14.976 5.020 519 HD1 HIS 68 1HD HIS 68 0.657 -14.550 7.022 520 HD2 HIS 68 2HD HIS 68 -0.698 -14.590 3.036 521 HE1 HIS 68 1HE HIS 68 2.695 -14.954 5.580 522 HA PRO 69 HA PRO 69 -0.392 -10.209 8.213 523 HB2 PRO 69 1HB PRO 69 0.407 -11.297 10.576 524 HB3 PRO 69 2HB PRO 69 -1.217 -10.573 10.343 525 HG2 PRO 69 1HG PRO 69 -0.431 -13.486 10.177 526 HG3 PRO 69 2HG PRO 69 -1.818 -12.771 11.065 527 HD2 PRO 69 1HD PRO 69 -2.087 -13.912 8.623 528 HD3 PRO 69 2HD PRO 69 -3.039 -12.473 9.084 529 H ALA 70 H ALA 70 1.568 -9.974 7.318 530 HA ALA 70 HA ALA 70 3.289 -12.372 6.930 531 HB1 ALA 70 1HB ALA 70 2.415 -11.470 4.860 532 HB2 ALA 70 2HB ALA 70 3.057 -9.858 5.251 533 HB3 ALA 70 3HB ALA 70 4.166 -11.214 4.968 534 H ALA 71 H ALA 71 3.234 -11.118 9.383 535 HA ALA 71 HA ALA 71 4.551 -10.426 11.035 536 HB1 ALA 71 1HB ALA 71 6.926 -10.293 9.197 537 HB2 ALA 71 2HB ALA 71 6.873 -10.794 10.891 538 HB3 ALA 71 3HB ALA 71 6.222 -11.852 9.637 539 HA PRO 72 HA PRO 72 5.120 -5.959 10.623 540 HB2 PRO 72 1HB PRO 72 6.932 -5.305 12.505 541 HB3 PRO 72 2HB PRO 72 5.276 -5.824 12.928 542 HG2 PRO 72 1HG PRO 72 7.825 -7.480 12.845 543 HG3 PRO 72 2HG PRO 72 6.624 -7.378 14.178 544 HD2 PRO 72 1HD PRO 72 6.582 -9.373 12.338 545 HD3 PRO 72 2HD PRO 72 5.063 -8.682 12.970 546 H LEU 73 H LEU 73 7.102 -4.335 10.468 547 HA LEU 73 HA LEU 73 9.182 -5.516 8.724 548 HB2 LEU 73 1HB LEU 73 6.979 -4.789 7.539 549 HB3 LEU 73 2HB LEU 73 7.393 -3.175 8.019 550 HG LEU 73 HG LEU 73 9.568 -3.372 6.764 551 HD11 LEU 73 1HD1 LEU 73 8.153 -5.713 5.408 552 HD12 LEU 73 2HD1 LEU 73 9.516 -5.884 6.490 553 HD13 LEU 73 3HD1 LEU 73 9.737 -5.007 4.977 554 HD21 LEU 73 3HD2 LEU 73 6.999 -3.478 5.165 555 HD22 LEU 73 1HD2 LEU 73 8.550 -2.802 4.664 556 HD23 LEU 73 2HD2 LEU 73 7.662 -2.054 5.994 557 HA PRO 74 HA PRO 74 11.609 -2.299 10.680 558 HB2 PRO 74 1HB PRO 74 13.684 -1.998 8.857 559 HB3 PRO 74 2HB PRO 74 13.525 -3.360 9.984 560 HG2 PRO 74 1HG PRO 74 12.664 -3.253 7.087 561 HG3 PRO 74 2HG PRO 74 13.638 -4.515 7.912 562 HD2 PRO 74 1HD PRO 74 11.007 -4.833 7.558 563 HD3 PRO 74 2HD PRO 74 11.752 -5.320 9.092 564 HA PRO 75 HA PRO 75 10.655 1.667 8.830 565 HB2 PRO 75 1HB PRO 75 12.913 3.178 9.323 566 HB3 PRO 75 2HB PRO 75 11.682 2.743 10.544 567 HG2 PRO 75 1HG PRO 75 14.307 1.329 9.979 568 HG3 PRO 75 2HG PRO 75 13.658 1.861 11.569 569 HD2 PRO 75 1HD PRO 75 13.364 -0.675 10.763 570 HD3 PRO 75 2HD PRO 75 11.994 0.161 11.550 571 H GLU 76 H GLU 76 13.518 -0.089 7.754 572 HA GLU 76 HA GLU 76 13.823 1.602 5.359 573 HB2 GLU 76 1HB GLU 76 15.674 0.185 4.799 574 HB3 GLU 76 2HB GLU 76 15.831 0.807 6.445 575 HG2 GLU 76 1HG GLU 76 15.252 -1.259 7.441 576 HG3 GLU 76 2HG GLU 76 14.809 -1.964 5.873 577 H GLY 77 H GLY 77 11.991 -1.235 6.310 578 HA2 GLY 77 1HA GLY 77 11.926 -2.432 3.730 579 HA3 GLY 77 2HA GLY 77 10.743 -2.667 5.013 580 H LEU 78 H LEU 78 10.070 0.215 5.140 581 HA LEU 78 HA LEU 78 8.086 0.634 3.085 582 HB2 LEU 78 1HB LEU 78 8.008 1.867 5.175 583 HB3 LEU 78 2HB LEU 78 9.643 2.491 4.954 584 HG LEU 78 HG LEU 78 8.880 3.888 3.050 585 HD11 LEU 78 1HD1 LEU 78 6.146 2.760 3.748 586 HD12 LEU 78 2HD1 LEU 78 6.997 2.578 2.203 587 HD13 LEU 78 3HD1 LEU 78 6.409 4.170 2.706 588 HD21 LEU 78 3HD2 LEU 78 7.543 5.481 4.396 589 HD22 LEU 78 1HD2 LEU 78 8.901 4.823 5.318 590 HD23 LEU 78 2HD2 LEU 78 7.251 4.218 5.605 591 H ASN 79 H ASN 79 11.321 2.145 3.531 592 HA ASN 79 HA ASN 79 11.701 3.478 1.223 593 HB2 ASN 79 1HB ASN 79 13.251 2.565 3.429 594 HB3 ASN 79 2HB ASN 79 14.112 1.959 2.026 595 HD21 ASN 79 1HD2 ASN 79 12.698 4.912 3.543 596 HD22 ASN 79 2HD2 ASN 79 13.797 5.971 2.726 597 H ASP 80 H ASP 80 12.123 -0.026 1.632 598 HA ASP 80 HA ASP 80 13.365 -0.498 -0.890 599 HB2 ASP 80 1HB ASP 80 12.790 -1.950 1.457 600 HB3 ASP 80 2HB ASP 80 11.792 -2.739 0.254 601 H LEU 81 H LEU 81 9.984 -0.540 0.153 602 HA LEU 81 HA LEU 81 8.884 -1.532 -2.326 603 HB2 LEU 81 1HB LEU 81 7.976 -0.751 0.312 604 HB3 LEU 81 2HB LEU 81 7.043 0.165 -0.853 605 HG LEU 81 HG LEU 81 6.305 -1.885 -1.976 606 HD11 LEU 81 1HD1 LEU 81 8.128 -3.432 -1.686 607 HD12 LEU 81 2HD1 LEU 81 6.734 -4.103 -0.855 608 HD13 LEU 81 3HD1 LEU 81 8.037 -3.319 0.071 609 HD21 LEU 81 3HD2 LEU 81 5.948 -1.388 0.980 610 HD22 LEU 81 1HD2 LEU 81 5.099 -2.765 0.220 611 HD23 LEU 81 2HD2 LEU 81 4.837 -1.109 -0.345 612 H ILE 82 H ILE 82 9.163 1.757 -0.891 613 HA ILE 82 HA ILE 82 7.908 3.128 -3.042 614 HB ILE 82 HB ILE 82 10.080 4.213 -1.247 615 HG12 ILE 82 1HG1 ILE 82 8.300 3.254 0.161 616 HG13 ILE 82 2HG1 ILE 82 8.457 4.967 0.275 617 HG21 ILE 82 1HG2 ILE 82 9.601 5.706 -3.082 618 HG22 ILE 82 2HG2 ILE 82 7.861 5.591 -2.836 619 HG23 ILE 82 3HG2 ILE 82 8.890 6.396 -1.625 620 HD11 ILE 82 3HD1 ILE 82 6.251 3.386 -1.075 621 HD12 ILE 82 1HD1 ILE 82 6.115 4.391 0.363 622 HD13 ILE 82 2HD1 ILE 82 6.356 5.167 -1.202 623 H ARG 83 H ARG 83 11.317 2.104 -2.628 624 HA ARG 83 HA ARG 83 12.560 3.227 -4.750 625 HB2 ARG 83 1HB ARG 83 13.079 1.222 -2.960 626 HB3 ARG 83 2HB ARG 83 12.986 0.281 -4.433 627 HG2 ARG 83 1HG ARG 83 14.686 2.801 -4.109 628 HG3 ARG 83 2HG ARG 83 15.209 1.174 -3.711 629 HD2 ARG 83 1HD ARG 83 14.616 0.546 -6.148 630 HD3 ARG 83 2HD ARG 83 14.531 2.299 -6.435 631 HE ARG 83 HE ARG 83 16.973 1.514 -5.078 632 HH11 ARG 83 1HH1 ARG 83 15.488 1.815 -8.278 633 HH12 ARG 83 2HH1 ARG 83 16.999 1.822 -9.119 634 HH21 ARG 83 1HH2 ARG 83 18.932 1.287 -6.174 635 HH22 ARG 83 2HH2 ARG 83 18.995 1.414 -7.896 636 H ALA 84 H ALA 84 10.130 0.609 -4.956 637 HA ALA 84 HA ALA 84 10.646 -0.125 -7.696 638 HB1 ALA 84 1HB ALA 84 8.012 -0.397 -6.180 639 HB2 ALA 84 2HB ALA 84 8.617 -1.389 -7.525 640 HB3 ALA 84 3HB ALA 84 9.355 -1.500 -5.940 641 H HIS 85 H HIS 85 7.992 1.806 -6.265 642 HA HIS 85 HA HIS 85 6.894 2.745 -8.661 643 HB2 HIS 85 1HB HIS 85 5.708 2.821 -6.651 644 HB3 HIS 85 2HB HIS 85 6.966 3.821 -5.877 645 HD1 HIS 85 1HD HIS 85 3.917 4.286 -8.270 646 HD2 HIS 85 2HD HIS 85 6.988 6.368 -6.243 647 HE1 HIS 85 1HE HIS 85 3.228 6.702 -8.216 648 H CYS 86 H CYS 86 9.515 4.124 -6.643 649 HA CYS 86 HA CYS 86 9.838 6.518 -8.190 650 HB2 CYS 86 1HB CYS 86 11.653 4.908 -6.350 651 HB3 CYS 86 2HB CYS 86 12.148 6.430 -7.064 652 HG CYS 86 HG CYS 86 9.763 7.675 -6.245 653 H ALA 87 H ALA 87 11.334 3.270 -8.472 654 HA ALA 87 HA ALA 87 13.171 3.997 -10.543 655 HB1 ALA 87 1HB ALA 87 13.338 1.503 -10.816 656 HB2 ALA 87 2HB ALA 87 13.554 2.041 -9.136 657 HB3 ALA 87 3HB ALA 87 12.023 1.312 -9.662 658 H THR 88 H THR 88 9.823 2.709 -10.627 659 HA THR 88 HA THR 88 9.903 2.281 -13.467 660 HB THR 88 HB THR 88 8.254 1.097 -12.398 661 HG1 THR 88 1HG THR 88 6.448 2.957 -13.333 662 HG21 THR 88 3HG2 THR 88 6.392 1.888 -11.108 663 HG22 THR 88 1HG2 THR 88 6.879 3.581 -11.336 664 HG23 THR 88 2HG2 THR 88 7.892 2.454 -10.417 665 H LEU 89 H LEU 89 9.064 5.151 -11.516 666 HA LEU 89 HA LEU 89 8.284 6.691 -13.871 667 HB2 LEU 89 1HB LEU 89 8.660 7.459 -10.937 668 HB3 LEU 89 2HB LEU 89 7.983 8.508 -12.189 669 HG LEU 89 HG LEU 89 6.792 5.826 -11.350 670 HD11 LEU 89 1HD1 LEU 89 5.064 7.051 -10.203 671 HD12 LEU 89 2HD1 LEU 89 5.864 8.599 -10.577 672 HD13 LEU 89 3HD1 LEU 89 6.649 7.400 -9.502 673 HD21 LEU 89 3HD2 LEU 89 4.748 6.711 -12.518 674 HD22 LEU 89 1HD2 LEU 89 6.102 6.348 -13.596 675 HD23 LEU 89 2HD2 LEU 89 5.737 8.026 -13.158 676 H GLY 90 H GLY 90 10.752 7.329 -11.365 677 HA2 GLY 90 1HA GLY 90 13.117 7.491 -12.451 678 HA3 GLY 90 2HA GLY 90 12.365 8.813 -13.365 679 H HIS 91 H HIS 91 11.990 7.853 -9.899 680 HA HIS 91 HA HIS 91 12.831 10.611 -9.125 681 HB2 HIS 91 1HB HIS 91 10.383 9.031 -8.357 682 HB3 HIS 91 2HB HIS 91 10.986 10.302 -7.308 683 HD1 HIS 91 1HD HIS 91 11.183 12.889 -8.545 684 HD2 HIS 91 2HD HIS 91 8.774 9.888 -10.312 685 HE1 HIS 91 1HE HIS 91 9.762 14.030 -10.235 686 H CYS 92 H CYS 92 13.036 10.651 -6.629 687 HA CYS 92 HA CYS 92 13.715 8.104 -5.378 688 HB2 CYS 92 1HB CYS 92 15.895 8.675 -6.251 689 HB3 CYS 92 2HB CYS 92 15.755 10.346 -5.670 690 HG CYS 92 HG CYS 92 15.704 7.595 -3.817 691 H CYS 93 H CYS 93 13.881 11.514 -4.995 692 HA CYS 93 HA CYS 93 12.230 11.411 -2.532 693 HB2 CYS 93 1HB CYS 93 14.010 12.791 -1.326 694 HB3 CYS 93 2HB CYS 93 14.444 11.104 -1.617 695 HG CYS 93 HG CYS 93 16.140 11.369 -3.350 696 H THR 94 H THR 94 12.282 13.892 -1.618 697 HA THR 94 HA THR 94 12.232 15.845 -3.774 698 HB THR 94 HB THR 94 10.088 14.983 -4.194 699 HG1 THR 94 1HG THR 94 8.716 16.710 -3.471 700 HG21 THR 94 3HG2 THR 94 9.431 15.105 -1.225 701 HG22 THR 94 1HG2 THR 94 9.717 13.613 -2.169 702 HG23 THR 94 2HG2 THR 94 8.350 14.643 -2.550 703 H SER 95 H SER 95 11.572 15.076 -0.294 704 HA SER 95 HA SER 95 12.474 17.835 0.362 705 HB2 SER 95 1HB SER 95 9.995 17.423 0.318 706 HB3 SER 95 2HB SER 95 10.210 16.255 1.631 707 HG SER 95 HG SER 95 11.066 18.965 1.709 708 H LYS 96 H LYS 96 12.094 14.467 1.787 709 HA LYS 96 HA LYS 96 14.490 14.987 3.352 710 HB2 LYS 96 1HB LYS 96 13.516 14.438 5.523 711 HB3 LYS 96 2HB LYS 96 13.025 15.989 4.831 712 HG2 LYS 96 1HG LYS 96 10.984 14.772 3.945 713 HG3 LYS 96 2HG LYS 96 11.353 13.455 5.069 714 HD2 LYS 96 1HD LYS 96 10.992 16.355 5.878 715 HD3 LYS 96 2HD LYS 96 9.694 15.149 5.942 716 HE2 LYS 96 1HE LYS 96 11.025 13.798 7.541 717 HE3 LYS 96 2HE LYS 96 12.343 14.971 7.443 718 HZ1 LYS 96 3HZ LYS 96 10.979 15.423 9.376 719 HZ2 LYS 96 1HZ LYS 96 9.617 15.493 8.480 720 HZ3 LYS 96 2HZ LYS 96 10.753 16.651 8.297 721 H MET 97 H MET 97 15.476 13.357 2.258 722 HA MET 97 HA MET 97 16.120 11.310 1.701 723 HB2 MET 97 1HB MET 97 16.218 11.012 4.161 724 HB3 MET 97 2HB MET 97 14.578 10.376 4.159 725 HG2 MET 97 1HG MET 97 16.392 8.953 2.314 726 HG3 MET 97 2HG MET 97 16.972 8.958 3.969 727 HE1 MET 97 3HE MET 97 14.450 8.821 5.865 728 HE2 MET 97 1HE MET 97 14.304 7.063 6.024 729 HE3 MET 97 2HE MET 97 15.911 7.817 5.992 730 H HIS 98 H HIS 98 14.499 8.852 1.767 731 HA HIS 98 HA HIS 98 12.829 9.152 -0.505 732 HB2 HIS 98 1HB HIS 98 13.794 7.065 1.094 733 HB3 HIS 98 2HB HIS 98 12.050 6.974 1.327 734 HD1 HIS 98 1HD HIS 98 14.038 4.893 -0.269 735 HD2 HIS 98 2HD HIS 98 11.368 7.743 -1.843 736 HE1 HIS 98 1HE HIS 98 13.398 4.062 -2.569 737 H LEU 99 H LEU 99 11.823 8.594 2.931 738 HA LEU 99 HA LEU 99 9.544 10.459 2.757 739 HB2 LEU 99 1HB LEU 99 9.425 7.481 3.377 740 HB3 LEU 99 2HB LEU 99 8.125 8.621 3.706 741 HG LEU 99 HG LEU 99 9.182 7.967 0.913 742 HD11 LEU 99 1HD1 LEU 99 7.004 6.722 0.810 743 HD12 LEU 99 2HD1 LEU 99 6.785 7.056 2.547 744 HD13 LEU 99 3HD1 LEU 99 8.145 6.081 2.030 745 HD21 LEU 99 3HD2 LEU 99 8.179 10.212 0.981 746 HD22 LEU 99 1HD2 LEU 99 6.769 9.608 1.886 747 HD23 LEU 99 2HD2 LEU 99 7.057 9.100 0.203 748 H HIS 100 H HIS 100 8.914 11.135 4.719 749 HA HIS 100 HA HIS 100 10.475 10.582 7.074 750 HB2 HIS 100 1HB HIS 100 9.501 12.747 6.630 751 HB3 HIS 100 2HB HIS 100 7.902 12.061 6.503 752 HD1 HIS 100 1HD HIS 100 6.481 12.364 8.573 753 HD2 HIS 100 2HD HIS 100 10.631 12.245 9.343 754 HE1 HIS 100 1HE HIS 100 6.781 12.901 11.068 755 H SER 101 H SER 101 7.287 9.562 5.938 756 HA SER 101 HA SER 101 7.114 7.207 7.608 757 HB2 SER 101 1HB SER 101 5.634 9.698 8.570 758 HB3 SER 101 2HB SER 101 5.205 8.057 9.081 759 HG SER 101 HG SER 101 7.879 8.778 9.320 760 H VAL 102 H VAL 102 4.462 6.493 7.699 761 HA VAL 102 HA VAL 102 3.885 6.121 4.941 762 HB VAL 102 HB VAL 102 2.154 5.604 7.391 763 HG11 VAL 102 1HG1 VAL 102 0.981 3.924 6.018 764 HG12 VAL 102 2HG1 VAL 102 0.744 5.539 5.373 765 HG13 VAL 102 3HG1 VAL 102 1.907 4.448 4.589 766 HG21 VAL 102 3HG2 VAL 102 4.146 4.400 7.738 767 HG22 VAL 102 1HG2 VAL 102 3.066 3.214 7.011 768 HG23 VAL 102 2HG2 VAL 102 4.320 3.985 6.023 769 H MET 103 H MET 103 2.404 8.282 7.427 770 HA MET 103 HA MET 103 0.206 9.135 5.861 771 HB2 MET 103 1HB MET 103 0.726 9.628 8.340 772 HB3 MET 103 2HB MET 103 1.833 10.847 7.739 773 HG2 MET 103 1HG MET 103 0.035 12.133 8.128 774 HG3 MET 103 2HG MET 103 -0.285 11.758 6.442 775 HE1 MET 103 3HE MET 103 -2.695 11.274 5.757 776 HE2 MET 103 1HE MET 103 -1.999 9.635 5.784 777 HE3 MET 103 2HE MET 103 -3.601 9.933 6.489 778 H ASP 104 H ASP 104 3.534 10.452 6.102 779 HA ASP 104 HA ASP 104 3.310 12.573 4.254 780 HB2 ASP 104 1HB ASP 104 5.718 10.845 5.002 781 HB3 ASP 104 2HB ASP 104 5.802 12.273 3.985 782 H ALA 105 H ALA 105 3.890 9.090 3.758 783 HA ALA 105 HA ALA 105 4.617 9.277 0.993 784 HB1 ALA 105 1HB ALA 105 4.722 7.236 2.758 785 HB2 ALA 105 2HB ALA 105 3.124 6.875 2.145 786 HB3 ALA 105 3HB ALA 105 4.485 6.898 1.018 787 H ILE 106 H ILE 106 1.475 8.782 2.626 788 HA ILE 106 HA ILE 106 -0.025 8.202 0.266 789 HB ILE 106 HB ILE 106 -0.826 9.402 2.942 790 HG12 ILE 106 1HG1 ILE 106 0.099 7.102 3.053 791 HG13 ILE 106 2HG1 ILE 106 -1.549 7.231 3.582 792 HG21 ILE 106 1HG2 ILE 106 -2.572 10.051 1.434 793 HG22 ILE 106 2HG2 ILE 106 -2.688 8.427 0.746 794 HG23 ILE 106 3HG2 ILE 106 -3.161 8.729 2.439 795 HD11 ILE 106 3HD1 ILE 106 -1.173 5.187 2.289 796 HD12 ILE 106 1HD1 ILE 106 -2.316 6.226 1.429 797 HD13 ILE 106 2HD1 ILE 106 -0.616 6.130 0.904 798 H ASP 107 H ASP 107 0.611 11.287 1.984 799 HA ASP 107 HA ASP 107 -0.885 12.799 0.019 800 HB2 ASP 107 1HB ASP 107 0.113 13.262 2.635 801 HB3 ASP 107 2HB ASP 107 0.941 14.431 1.609 802 H PHE 108 H PHE 108 2.566 11.979 0.432 803 HA PHE 108 HA PHE 108 3.633 13.695 -1.563 804 HB2 PHE 108 1HB PHE 108 5.151 12.373 -0.108 805 HB3 PHE 108 2HB PHE 108 4.426 10.892 -0.675 806 HD1 PHE 108 1HD PHE 108 5.593 13.868 -2.736 807 HD2 PHE 108 2HD PHE 108 6.088 9.661 -1.821 808 HE1 PHE 108 1HE PHE 108 7.251 13.647 -4.548 809 HE2 PHE 108 2HE PHE 108 7.723 9.478 -3.638 810 HZ PHE 108 HZ PHE 108 8.355 11.472 -4.985 811 H LEU 109 H LEU 109 2.470 10.295 -1.836 812 HA LEU 109 HA LEU 109 2.990 10.105 -4.655 813 HB2 LEU 109 1HB LEU 109 1.084 8.617 -2.807 814 HB3 LEU 109 2HB LEU 109 1.356 8.173 -4.499 815 HG LEU 109 HG LEU 109 3.385 7.944 -2.225 816 HD11 LEU 109 1HD1 LEU 109 2.169 5.894 -4.108 817 HD12 LEU 109 2HD1 LEU 109 1.692 6.168 -2.427 818 HD13 LEU 109 3HD1 LEU 109 3.329 5.593 -2.790 819 HD21 LEU 109 3HD2 LEU 109 4.663 8.727 -4.086 820 HD22 LEU 109 1HD2 LEU 109 3.795 7.651 -5.186 821 HD23 LEU 109 2HD2 LEU 109 4.892 6.970 -3.962 822 H ASN 110 H ASN 110 0.123 11.064 -2.905 823 HA ASN 110 HA ASN 110 -1.440 11.633 -5.306 824 HB2 ASN 110 1HB ASN 110 -1.601 12.310 -2.357 825 HB3 ASN 110 2HB ASN 110 -2.634 13.200 -3.436 826 HD21 ASN 110 1HD2 ASN 110 -2.256 10.219 -1.792 827 HD22 ASN 110 2HD2 ASN 110 -3.863 9.619 -2.238 828 H ALA 111 H ALA 111 1.339 13.376 -4.193 829 HA ALA 111 HA ALA 111 0.300 15.831 -5.391 830 HB1 ALA 111 1HB ALA 111 2.185 16.850 -4.220 831 HB2 ALA 111 2HB ALA 111 1.143 16.036 -3.034 832 HB3 ALA 111 3HB ALA 111 2.672 15.293 -3.560 833 H LEU 112 H LEU 112 2.382 12.941 -6.143 834 HA LEU 112 HA LEU 112 4.143 14.389 -7.824 835 HB2 LEU 112 1HB LEU 112 5.099 12.779 -6.325 836 HB3 LEU 112 2HB LEU 112 3.645 11.851 -6.163 837 HG LEU 112 HG LEU 112 3.900 10.879 -8.315 838 HD11 LEU 112 1HD1 LEU 112 5.989 11.357 -9.589 839 HD12 LEU 112 2HD1 LEU 112 5.287 12.935 -9.111 840 HD13 LEU 112 3HD1 LEU 112 6.658 12.263 -8.270 841 HD21 LEU 112 3HD2 LEU 112 6.305 10.573 -6.488 842 HD22 LEU 112 1HD2 LEU 112 5.837 9.494 -7.853 843 HD23 LEU 112 2HD2 LEU 112 4.796 9.678 -6.405 844 H GLU 113 H GLU 113 1.467 12.050 -7.792 845 HA GLU 113 HA GLU 113 2.074 10.821 -10.091 846 HB2 GLU 113 1HB GLU 113 -0.070 9.719 -9.961 847 HB3 GLU 113 2HB GLU 113 0.488 10.027 -8.341 848 HG2 GLU 113 1HG GLU 113 -1.697 10.699 -8.125 849 HG3 GLU 113 2HG GLU 113 -0.968 12.256 -8.506 850 H GLY 114 H GLY 114 1.026 10.565 -12.247 851 HA2 GLY 114 1HA GLY 114 -0.947 11.882 -13.350 852 HA3 GLY 114 2HA GLY 114 0.266 13.160 -13.431 Start of MODEL 14 1 H1 MET 1 H MET 1 -12.342 -1.322 13.942 2 HA MET 1 HA MET 1 -11.417 -4.040 13.281 3 HB2 MET 1 1HB MET 1 -13.327 -3.202 15.460 4 HB3 MET 1 2HB MET 1 -13.715 -4.667 14.545 5 HG2 MET 1 1HG MET 1 -11.084 -4.126 15.937 6 HG3 MET 1 2HG MET 1 -12.369 -5.142 16.575 7 HE1 MET 1 3HE MET 1 -12.224 -8.371 14.541 8 HE2 MET 1 1HE MET 1 -12.659 -7.606 16.084 9 HE3 MET 1 2HE MET 1 -13.425 -7.061 14.579 10 H GLY 2 H GLY 2 -13.202 -5.283 12.092 11 HA2 GLY 2 1HA GLY 2 -15.529 -4.866 11.218 12 HA3 GLY 2 2HA GLY 2 -14.848 -3.426 10.441 13 H ALA 3 H ALA 3 -14.947 -6.946 10.395 14 HA ALA 3 HA ALA 3 -13.280 -7.031 7.932 15 HB1 ALA 3 1HB ALA 3 -13.140 -9.392 8.307 16 HB2 ALA 3 2HB ALA 3 -12.624 -8.539 9.763 17 HB3 ALA 3 3HB ALA 3 -14.241 -9.307 9.686 18 H GLY 4 H GLY 4 -14.665 -6.393 6.297 19 HA2 GLY 4 1HA GLY 4 -16.366 -8.387 5.256 20 HA3 GLY 4 2HA GLY 4 -17.411 -7.134 5.928 21 H GLN 5 H GLN 5 -15.464 -4.938 5.260 22 HA GLN 5 HA GLN 5 -15.721 -4.874 2.289 23 HB2 GLN 5 1HB GLN 5 -15.788 -2.674 4.387 24 HB3 GLN 5 2HB GLN 5 -15.841 -2.385 2.648 25 HG2 GLN 5 1HG GLN 5 -17.947 -3.539 2.419 26 HG3 GLN 5 2HG GLN 5 -17.929 -4.057 4.105 27 HE21 GLN 5 1HE2 GLN 5 -20.100 -2.770 3.106 28 HE22 GLN 5 2HE2 GLN 5 -20.278 -1.217 3.932 29 H THR 6 H THR 6 -13.524 -5.848 4.199 30 HA THR 6 HA THR 6 -11.318 -4.029 3.463 31 HB THR 6 HB THR 6 -10.506 -4.684 5.851 32 HG1 THR 6 1HG THR 6 -12.526 -4.978 7.178 33 HG21 THR 6 3HG2 THR 6 -11.858 -2.906 6.922 34 HG22 THR 6 1HG2 THR 6 -12.976 -2.904 5.536 35 HG23 THR 6 2HG2 THR 6 -11.287 -2.413 5.329 36 HA PRO 7 HA PRO 7 -9.093 -7.711 2.461 37 HB2 PRO 7 1HB PRO 7 -6.490 -6.783 2.993 38 HB3 PRO 7 2HB PRO 7 -7.391 -6.670 1.466 39 HG2 PRO 7 1HG PRO 7 -6.837 -4.487 3.383 40 HG3 PRO 7 2HG PRO 7 -7.316 -4.408 1.700 41 HD2 PRO 7 1HD PRO 7 -8.936 -3.996 3.988 42 HD3 PRO 7 2HD PRO 7 -9.439 -4.082 2.276 43 H HIS 8 H HIS 8 -7.711 -6.044 5.411 44 HA HIS 8 HA HIS 8 -8.260 -8.429 7.050 45 HB2 HIS 8 1HB HIS 8 -5.740 -7.938 6.142 46 HB3 HIS 8 2HB HIS 8 -5.753 -6.816 7.456 47 HD1 HIS 8 1HD HIS 8 -4.215 -7.954 9.140 48 HD2 HIS 8 2HD HIS 8 -6.871 -10.643 7.304 49 HE1 HIS 8 1HE HIS 8 -4.054 -10.106 10.447 50 HA PRO 9 HA PRO 9 -9.453 -4.938 9.724 51 HB2 PRO 9 1HB PRO 9 -9.844 -6.112 12.134 52 HB3 PRO 9 2HB PRO 9 -10.892 -6.481 10.728 53 HG2 PRO 9 1HG PRO 9 -8.486 -8.059 11.719 54 HG3 PRO 9 2HG PRO 9 -10.132 -8.671 11.342 55 HD2 PRO 9 1HD PRO 9 -8.115 -8.803 9.515 56 HD3 PRO 9 2HD PRO 9 -9.807 -8.441 9.042 57 H GLN 10 H GLN 10 -6.540 -6.803 10.370 58 HA GLN 10 HA GLN 10 -5.622 -5.142 12.591 59 HB2 GLN 10 1HB GLN 10 -4.154 -7.159 10.884 60 HB3 GLN 10 2HB GLN 10 -3.485 -6.379 12.297 61 HG2 GLN 10 1HG GLN 10 -6.091 -7.716 12.829 62 HG3 GLN 10 2HG GLN 10 -4.824 -8.805 12.281 63 HE21 GLN 10 1HE2 GLN 10 -5.966 -6.943 14.968 64 HE22 GLN 10 2HE2 GLN 10 -4.639 -7.282 16.063 65 H LEU 11 H LEU 11 -5.505 -4.887 9.143 66 HA LEU 11 HA LEU 11 -3.424 -2.894 8.957 67 HB2 LEU 11 1HB LEU 11 -4.338 -4.222 7.131 68 HB3 LEU 11 2HB LEU 11 -5.940 -3.517 7.375 69 HG LEU 11 HG LEU 11 -4.117 -1.322 6.978 70 HD11 LEU 11 1HD1 LEU 11 -3.914 -3.334 4.724 71 HD12 LEU 11 2HD1 LEU 11 -2.658 -3.183 5.950 72 HD13 LEU 11 3HD1 LEU 11 -3.038 -1.809 4.917 73 HD21 LEU 11 3HD2 LEU 11 -6.500 -1.334 6.419 74 HD22 LEU 11 1HD2 LEU 11 -6.227 -2.530 5.137 75 HD23 LEU 11 2HD2 LEU 11 -5.533 -0.907 5.009 76 H ILE 12 H ILE 12 -3.495 -0.797 9.495 77 HA ILE 12 HA ILE 12 -6.066 0.600 10.050 78 HB ILE 12 HB ILE 12 -3.302 0.912 11.273 79 HG12 ILE 12 1HG1 ILE 12 -4.435 -1.054 12.191 80 HG13 ILE 12 2HG1 ILE 12 -4.346 0.225 13.389 81 HG21 ILE 12 1HG2 ILE 12 -5.794 2.535 11.822 82 HG22 ILE 12 2HG2 ILE 12 -4.316 2.548 12.824 83 HG23 ILE 12 3HG2 ILE 12 -4.245 3.100 11.146 84 HD11 ILE 12 3HD1 ILE 12 -6.739 0.801 12.908 85 HD12 ILE 12 1HD1 ILE 12 -6.813 -0.558 11.773 86 HD13 ILE 12 2HD1 ILE 12 -6.508 -0.863 13.479 87 H TRP 13 H TRP 13 -6.469 1.714 8.297 88 HA TRP 13 HA TRP 13 -4.800 2.483 6.251 89 HB2 TRP 13 1HB TRP 13 -7.222 4.027 7.229 90 HB3 TRP 13 2HB TRP 13 -6.601 3.983 5.596 91 HD1 TRP 13 HD TRP 13 -8.772 1.988 7.972 92 HE1 TRP 13 1HE TRP 13 -9.735 -0.057 6.806 93 HE3 TRP 13 3HE TRP 13 -6.191 2.330 3.567 94 HZ2 TRP 13 2HZ TRP 13 -9.263 -1.531 4.361 95 HZ3 TRP 13 3HZ TRP 13 -6.434 0.495 1.857 96 HH2 TRP 13 HH TRP 13 -7.923 -1.422 2.273 97 HA PRO 14 HA PRO 14 -4.703 4.390 4.734 98 HB2 PRO 14 1HB PRO 14 -2.382 5.318 3.715 99 HB3 PRO 14 2HB PRO 14 -3.816 6.307 4.085 100 HG2 PRO 14 1HG PRO 14 -1.339 5.928 5.792 101 HG3 PRO 14 2HG PRO 14 -2.167 7.467 5.384 102 HD2 PRO 14 1HD PRO 14 -2.654 6.201 7.729 103 HD3 PRO 14 2HD PRO 14 -3.993 6.949 6.811 104 H ALA 15 H ALA 15 -3.464 3.305 2.947 105 HA ALA 15 HA ALA 15 -1.573 1.283 3.882 106 HB1 ALA 15 1HB ALA 15 -4.282 0.659 2.604 107 HB2 ALA 15 2HB ALA 15 -3.038 -0.542 2.982 108 HB3 ALA 15 3HB ALA 15 -3.847 0.338 4.307 109 H LEU 16 H LEU 16 -1.007 -0.179 2.016 110 HA LEU 16 HA LEU 16 -0.709 1.338 -0.542 111 HB2 LEU 16 1HB LEU 16 1.300 0.535 1.564 112 HB3 LEU 16 2HB LEU 16 1.814 0.563 -0.115 113 HG LEU 16 HG LEU 16 0.247 2.970 0.743 114 HD11 LEU 16 1HD1 LEU 16 2.147 3.990 1.852 115 HD12 LEU 16 2HD1 LEU 16 2.986 2.391 1.854 116 HD13 LEU 16 3HD1 LEU 16 1.476 2.613 2.749 117 HD21 LEU 16 3HD2 LEU 16 1.704 4.082 -0.760 118 HD22 LEU 16 1HD2 LEU 16 1.195 2.553 -1.516 119 HD23 LEU 16 2HD2 LEU 16 2.822 2.700 -0.797 120 H LEU 17 H LEU 17 -1.543 -0.071 -1.982 121 HA LEU 17 HA LEU 17 -1.141 -2.955 -1.724 122 HB2 LEU 17 1HB LEU 17 -3.243 -1.746 -2.663 123 HB3 LEU 17 2HB LEU 17 -2.227 -1.342 -4.035 124 HG LEU 17 HG LEU 17 -1.929 -3.897 -4.381 125 HD11 LEU 17 1HD1 LEU 17 -4.405 -3.813 -2.598 126 HD12 LEU 17 2HD1 LEU 17 -2.869 -4.656 -2.247 127 HD13 LEU 17 3HD1 LEU 17 -3.902 -5.206 -3.556 128 HD21 LEU 17 3HD2 LEU 17 -4.583 -2.459 -4.812 129 HD22 LEU 17 1HD2 LEU 17 -4.095 -3.947 -5.631 130 HD23 LEU 17 2HD2 LEU 17 -3.181 -2.459 -5.905 131 H LYS 18 H LYS 18 0.137 -4.266 -3.305 132 HA LYS 18 HA LYS 18 1.602 -2.769 -5.307 133 HB2 LYS 18 1HB LYS 18 2.893 -2.911 -2.872 134 HB3 LYS 18 2HB LYS 18 3.563 -4.329 -3.678 135 HG2 LYS 18 1HG LYS 18 3.472 -1.527 -4.829 136 HG3 LYS 18 2HG LYS 18 4.874 -2.267 -4.039 137 HD2 LYS 18 1HD LYS 18 3.593 -2.994 -6.695 138 HD3 LYS 18 2HD LYS 18 5.209 -2.363 -6.388 139 HE2 LYS 18 1HE LYS 18 4.160 -5.109 -5.576 140 HE3 LYS 18 2HE LYS 18 5.235 -4.767 -6.908 141 HZ1 LYS 18 3HZ LYS 18 5.866 -4.434 -4.046 142 HZ2 LYS 18 1HZ LYS 18 6.880 -3.984 -5.291 143 HZ3 LYS 18 2HZ LYS 18 6.479 -5.542 -5.074 144 H GLN 19 H GLN 19 0.458 -4.005 -6.728 145 HA GLN 19 HA GLN 19 -0.206 -6.662 -6.375 146 HB2 GLN 19 1HB GLN 19 0.059 -5.432 -9.109 147 HB3 GLN 19 2HB GLN 19 -1.014 -6.713 -8.570 148 HG2 GLN 19 1HG GLN 19 -1.774 -4.707 -6.861 149 HG3 GLN 19 2HG GLN 19 -1.201 -3.770 -8.208 150 HE21 GLN 19 1HE2 GLN 19 -3.691 -5.615 -6.999 151 HE22 GLN 19 2HE2 GLN 19 -4.513 -5.973 -8.501 152 H GLN 20 H GLN 20 0.507 -8.615 -7.737 153 HA GLN 20 HA GLN 20 3.364 -8.839 -7.707 154 HB2 GLN 20 1HB GLN 20 1.103 -10.708 -8.192 155 HB3 GLN 20 2HB GLN 20 2.584 -11.043 -9.107 156 HG2 GLN 20 1HG GLN 20 3.868 -10.718 -6.910 157 HG3 GLN 20 2HG GLN 20 2.296 -10.772 -6.095 158 HE21 GLN 20 1HE2 GLN 20 3.156 -12.696 -4.937 159 HE22 GLN 20 2HE2 GLN 20 3.068 -14.245 -5.754 160 H GLY 21 H GLY 21 4.751 -8.312 -9.092 161 HA2 GLY 21 1HA GLY 21 5.851 -8.286 -11.089 162 HA3 GLY 21 2HA GLY 21 4.359 -8.541 -12.005 163 H CYS 22 H CYS 22 2.869 -6.344 -10.574 164 HA CYS 22 HA CYS 22 3.759 -4.034 -12.003 165 HB2 CYS 22 1HB CYS 22 1.893 -4.161 -9.587 166 HB3 CYS 22 2HB CYS 22 1.978 -2.913 -10.809 167 HG CYS 22 HG CYS 22 -0.144 -3.997 -11.538 168 H ASN 23 H ASN 23 4.111 -1.963 -10.772 169 HA ASN 23 HA ASN 23 5.899 -2.232 -8.404 170 HB2 ASN 23 1HB ASN 23 7.274 -0.393 -9.867 171 HB3 ASN 23 2HB ASN 23 7.676 -2.095 -9.739 172 HD21 ASN 23 1HD2 ASN 23 7.725 -3.306 -11.537 173 HD22 ASN 23 2HD2 ASN 23 7.089 -2.781 -13.094 174 H GLU 24 H GLU 24 3.488 -0.457 -10.168 175 HA GLU 24 HA GLU 24 3.979 2.095 -8.917 176 HB2 GLU 24 1HB GLU 24 2.799 1.698 -11.078 177 HB3 GLU 24 2HB GLU 24 1.465 0.946 -10.186 178 HG2 GLU 24 1HG GLU 24 1.084 3.079 -8.981 179 HG3 GLU 24 2HG GLU 24 2.512 3.782 -9.770 180 H LEU 25 H LEU 25 3.995 2.060 -6.703 181 HA LEU 25 HA LEU 25 2.336 0.415 -5.020 182 HB2 LEU 25 1HB LEU 25 3.830 3.029 -4.596 183 HB3 LEU 25 2HB LEU 25 2.707 2.478 -3.399 184 HG LEU 25 HG LEU 25 5.058 1.921 -2.878 185 HD11 LEU 25 1HD1 LEU 25 4.591 -0.481 -2.221 186 HD12 LEU 25 2HD1 LEU 25 3.023 -0.309 -3.040 187 HD13 LEU 25 3HD1 LEU 25 3.438 0.735 -1.692 188 HD21 LEU 25 3HD2 LEU 25 6.088 -0.078 -3.971 189 HD22 LEU 25 1HD2 LEU 25 6.067 1.390 -4.944 190 HD23 LEU 25 2HD2 LEU 25 4.924 0.090 -5.287 191 H LEU 26 H LEU 26 0.312 0.712 -4.304 192 HA LEU 26 HA LEU 26 -1.272 2.852 -5.573 193 HB2 LEU 26 1HB LEU 26 -1.598 0.085 -5.752 194 HB3 LEU 26 2HB LEU 26 -2.852 0.611 -4.622 195 HG LEU 26 HG LEU 26 -3.734 0.556 -6.808 196 HD11 LEU 26 1HD1 LEU 26 -4.562 2.344 -5.310 197 HD12 LEU 26 2HD1 LEU 26 -4.664 2.802 -7.017 198 HD13 LEU 26 3HD1 LEU 26 -3.388 3.480 -6.005 199 HD21 LEU 26 3HD2 LEU 26 -1.655 0.843 -8.108 200 HD22 LEU 26 1HD2 LEU 26 -1.635 2.569 -7.709 201 HD23 LEU 26 2HD2 LEU 26 -2.957 1.899 -8.674 202 HA PRO 27 HA PRO 27 -1.375 3.931 -1.044 203 HB2 PRO 27 1HB PRO 27 -1.904 6.581 -1.379 204 HB3 PRO 27 2HB PRO 27 -0.260 5.899 -1.606 205 HG2 PRO 27 1HG PRO 27 -2.292 6.527 -3.739 206 HG3 PRO 27 2HG PRO 27 -0.573 6.989 -3.679 207 HD2 PRO 27 1HD PRO 27 -1.433 4.820 -5.051 208 HD3 PRO 27 2HD PRO 27 0.127 4.782 -4.183 209 H LEU 28 H LEU 28 -3.249 3.572 0.086 210 HA LEU 28 HA LEU 28 -5.862 4.540 -0.981 211 HB2 LEU 28 1HB LEU 28 -5.349 2.204 0.917 212 HB3 LEU 28 2HB LEU 28 -6.900 2.844 0.531 213 HG LEU 28 HG LEU 28 -6.845 0.907 -0.671 214 HD11 LEU 28 1HD1 LEU 28 -7.472 2.826 -2.147 215 HD12 LEU 28 2HD1 LEU 28 -6.844 1.412 -3.014 216 HD13 LEU 28 3HD1 LEU 28 -5.818 2.836 -2.783 217 HD21 LEU 28 3HD2 LEU 28 -4.967 0.058 -1.987 218 HD22 LEU 28 1HD2 LEU 28 -4.500 0.336 -0.297 219 HD23 LEU 28 2HD2 LEU 28 -4.034 1.487 -1.560 220 H ARG 29 H ARG 29 -6.444 6.264 0.192 221 HA ARG 29 HA ARG 29 -4.917 6.944 2.527 222 HB2 ARG 29 1HB ARG 29 -7.379 8.332 1.488 223 HB3 ARG 29 2HB ARG 29 -6.189 8.975 2.609 224 HG2 ARG 29 1HG ARG 29 -4.478 8.985 0.904 225 HG3 ARG 29 2HG ARG 29 -5.490 8.114 -0.240 226 HD2 ARG 29 1HD ARG 29 -6.295 10.806 0.875 227 HD3 ARG 29 2HD ARG 29 -5.335 10.604 -0.601 228 HE ARG 29 HE ARG 29 -7.623 8.932 -0.760 229 HH11 ARG 29 1HH1 ARG 29 -6.743 12.379 -0.916 230 HH12 ARG 29 2HH1 ARG 29 -7.980 12.740 -2.081 231 HH21 ARG 29 1HH2 ARG 29 -9.373 9.510 -2.114 232 HH22 ARG 29 2HH2 ARG 29 -9.423 11.160 -2.748 233 H THR 30 H THR 30 -8.400 6.040 2.058 234 HA THR 30 HA THR 30 -8.441 5.112 4.881 235 HB THR 30 HB THR 30 -10.642 6.104 5.129 236 HG1 THR 30 1HG THR 30 -10.186 7.141 2.519 237 HG21 THR 30 3HG2 THR 30 -8.698 7.348 5.903 238 HG22 THR 30 1HG2 THR 30 -10.052 8.380 5.450 239 HG23 THR 30 2HG2 THR 30 -8.653 8.247 4.363 240 H ASN 31 H ASN 31 -10.865 3.938 5.109 241 HA ASN 31 HA ASN 31 -10.639 1.523 3.517 242 HB2 ASN 31 1HB ASN 31 -11.557 1.154 5.642 243 HB3 ASN 31 2HB ASN 31 -12.526 2.613 5.592 244 HD21 ASN 31 1HD2 ASN 31 -12.349 -0.380 3.444 245 HD22 ASN 31 2HD2 ASN 31 -14.086 -0.593 3.528 246 H ASP 32 H ASP 32 -12.712 4.443 3.492 247 HA ASP 32 HA ASP 32 -14.443 3.798 1.436 248 HB2 ASP 32 1HB ASP 32 -13.143 6.513 1.897 249 HB3 ASP 32 2HB ASP 32 -14.649 6.219 1.036 250 H ASP 33 H ASP 33 -10.998 4.410 1.200 251 HA ASP 33 HA ASP 33 -11.189 5.164 -1.632 252 HB2 ASP 33 1HB ASP 33 -8.793 5.042 0.251 253 HB3 ASP 33 2HB ASP 33 -8.762 5.602 -1.406 254 H TRP 34 H TRP 34 -10.133 2.463 0.396 255 HA TRP 34 HA TRP 34 -9.037 0.782 -1.701 256 HB2 TRP 34 1HB TRP 34 -8.718 0.128 0.563 257 HB3 TRP 34 2HB TRP 34 -10.427 0.232 0.944 258 HD1 TRP 34 HD TRP 34 -12.040 -1.745 -0.083 259 HE1 TRP 34 1HE TRP 34 -11.557 -4.207 -0.581 260 HE3 TRP 34 3HE TRP 34 -6.924 -1.541 -0.345 261 HZ2 TRP 34 2HZ TRP 34 -9.251 -5.897 -0.995 262 HZ3 TRP 34 3HZ TRP 34 -5.626 -3.591 -0.804 263 HH2 TRP 34 HH TRP 34 -6.775 -5.768 -1.161 264 H GLN 35 H GLN 35 -12.341 1.413 -0.427 265 HA GLN 35 HA GLN 35 -13.721 -0.333 -2.200 266 HB2 GLN 35 1HB GLN 35 -14.630 2.401 -1.190 267 HB3 GLN 35 2HB GLN 35 -15.631 1.169 -1.953 268 HG2 GLN 35 1HG GLN 35 -14.567 -0.349 0.062 269 HG3 GLN 35 2HG GLN 35 -14.573 1.232 0.839 270 HE21 GLN 35 1HE2 GLN 35 -16.442 -1.559 0.541 271 HE22 GLN 35 2HE2 GLN 35 -17.973 -0.759 0.883 272 H ARG 36 H ARG 36 -13.045 3.226 -2.693 273 HA ARG 36 HA ARG 36 -14.300 3.050 -5.205 274 HB2 ARG 36 1HB ARG 36 -14.238 5.098 -5.406 275 HB3 ARG 36 2HB ARG 36 -13.719 5.031 -3.707 276 HG2 ARG 36 1HG ARG 36 -11.522 5.056 -5.676 277 HG3 ARG 36 2HG ARG 36 -12.659 6.319 -5.764 278 HD2 ARG 36 1HD ARG 36 -12.264 6.536 -3.144 279 HD3 ARG 36 2HD ARG 36 -10.708 5.812 -3.561 280 HE ARG 36 HE ARG 36 -10.527 7.592 -5.377 281 HH11 ARG 36 1HH1 ARG 36 -11.656 8.314 -2.157 282 HH12 ARG 36 2HH1 ARG 36 -11.954 9.994 -2.411 283 HH21 ARG 36 1HH2 ARG 36 -10.473 9.837 -5.681 284 HH22 ARG 36 2HH2 ARG 36 -11.243 10.901 -4.541 285 H PHE 37 H PHE 37 -10.995 2.561 -4.322 286 HA PHE 37 HA PHE 37 -9.652 2.636 -6.816 287 HB2 PHE 37 1HB PHE 37 -8.295 2.170 -4.869 288 HB3 PHE 37 2HB PHE 37 -9.288 0.767 -4.449 289 HD1 PHE 37 1HD PHE 37 -6.986 1.945 -7.204 290 HD2 PHE 37 2HD PHE 37 -8.689 -1.376 -5.068 291 HE1 PHE 37 1HE PHE 37 -5.578 0.375 -8.512 292 HE2 PHE 37 2HE PHE 37 -7.277 -2.951 -6.372 293 HZ PHE 37 HZ PHE 37 -5.713 -2.084 -8.075 294 H CYS 38 H CYS 38 -11.412 -0.144 -5.346 295 HA CYS 38 HA CYS 38 -11.037 -1.622 -7.880 296 HB2 CYS 38 1HB CYS 38 -11.654 -3.547 -6.587 297 HB3 CYS 38 2HB CYS 38 -10.430 -2.602 -5.762 298 HG CYS 38 HG CYS 38 -11.947 -1.453 -3.996 299 H ALA 39 H ALA 39 -13.246 0.337 -6.513 300 HA ALA 39 HA ALA 39 -15.729 -0.429 -7.844 301 HB1 ALA 39 1HB ALA 39 -15.485 1.249 -5.889 302 HB2 ALA 39 2HB ALA 39 -14.774 2.390 -7.070 303 HB3 ALA 39 3HB ALA 39 -16.434 1.836 -7.266 304 H ASP 40 H ASP 40 -12.700 0.421 -9.333 305 HA ASP 40 HA ASP 40 -13.939 1.791 -11.496 306 HB2 ASP 40 1HB ASP 40 -13.232 3.559 -9.793 307 HB3 ASP 40 2HB ASP 40 -11.571 2.992 -10.053 308 H SER 41 H SER 41 -13.225 0.714 -13.028 309 HA SER 41 HA SER 41 -11.429 -1.424 -13.125 310 HB2 SER 41 1HB SER 41 -13.293 -0.537 -14.766 311 HB3 SER 41 2HB SER 41 -12.008 0.395 -15.493 312 HG SER 41 HG SER 41 -11.802 -1.333 -16.599 313 H LYS 42 H LYS 42 -9.487 -1.013 -12.155 314 HA LYS 42 HA LYS 42 -7.573 0.840 -13.487 315 HB2 LYS 42 1HB LYS 42 -8.500 0.710 -10.630 316 HB3 LYS 42 2HB LYS 42 -6.767 0.864 -10.851 317 HG2 LYS 42 1HG LYS 42 -8.719 2.669 -12.305 318 HG3 LYS 42 2HG LYS 42 -8.192 3.018 -10.654 319 HD2 LYS 42 1HD LYS 42 -5.945 3.376 -11.271 320 HD3 LYS 42 2HD LYS 42 -6.096 2.452 -12.759 321 HE2 LYS 42 1HE LYS 42 -5.915 4.740 -13.376 322 HE3 LYS 42 2HE LYS 42 -7.548 4.169 -13.742 323 HZ1 LYS 42 3HZ LYS 42 -8.198 5.258 -11.568 324 HZ2 LYS 42 1HZ LYS 42 -7.763 6.246 -12.788 325 HZ3 LYS 42 2HZ LYS 42 -6.680 5.969 -11.593 326 H HIS 43 H HIS 43 -7.486 -1.672 -10.892 327 HA HIS 43 HA HIS 43 -5.457 -3.127 -12.472 328 HB2 HIS 43 1HB HIS 43 -4.835 -1.352 -10.234 329 HB3 HIS 43 2HB HIS 43 -4.454 -2.995 -9.802 330 HD1 HIS 43 1HD HIS 43 -2.486 -0.278 -10.799 331 HD2 HIS 43 2HD HIS 43 -3.149 -4.078 -12.533 332 HE1 HIS 43 1HE HIS 43 -0.473 -0.780 -12.192 333 H LEU 44 H LEU 44 -4.937 -5.274 -11.326 334 HA LEU 44 HA LEU 44 -7.620 -6.375 -10.783 335 HB2 LEU 44 1HB LEU 44 -6.300 -8.481 -11.732 336 HB3 LEU 44 2HB LEU 44 -7.312 -7.439 -12.671 337 HG LEU 44 HG LEU 44 -5.227 -8.164 -13.737 338 HD11 LEU 44 1HD1 LEU 44 -4.958 -6.202 -14.907 339 HD12 LEU 44 2HD1 LEU 44 -5.071 -5.177 -13.471 340 HD13 LEU 44 3HD1 LEU 44 -6.525 -5.964 -14.106 341 HD21 LEU 44 3HD2 LEU 44 -3.051 -7.322 -13.191 342 HD22 LEU 44 1HD2 LEU 44 -3.740 -8.019 -11.725 343 HD23 LEU 44 2HD2 LEU 44 -3.684 -6.286 -11.908 344 H LEU 45 H LEU 45 -7.869 -7.455 -8.854 345 HA LEU 45 HA LEU 45 -5.487 -7.847 -7.191 346 HB2 LEU 45 1HB LEU 45 -8.438 -8.530 -6.808 347 HB3 LEU 45 2HB LEU 45 -7.217 -8.851 -5.574 348 HG LEU 45 HG LEU 45 -7.692 -6.047 -6.686 349 HD11 LEU 45 1HD1 LEU 45 -8.988 -7.300 -4.239 350 HD12 LEU 45 2HD1 LEU 45 -9.807 -6.891 -5.768 351 HD13 LEU 45 3HD1 LEU 45 -9.123 -5.606 -4.765 352 HD21 LEU 45 3HD2 LEU 45 -5.565 -6.378 -5.479 353 HD22 LEU 45 1HD2 LEU 45 -6.441 -7.045 -4.085 354 HD23 LEU 45 2HD2 LEU 45 -6.652 -5.343 -4.559 355 H GLN 46 H GLN 46 -4.296 -9.605 -6.968 356 HA GLN 46 HA GLN 46 -5.274 -12.229 -7.878 357 HB2 GLN 46 1HB GLN 46 -2.552 -11.236 -8.737 358 HB3 GLN 46 2HB GLN 46 -3.430 -12.617 -9.348 359 HG2 GLN 46 1HG GLN 46 -4.928 -11.192 -10.645 360 HG3 GLN 46 2HG GLN 46 -4.365 -9.772 -9.846 361 HE21 GLN 46 1HE2 GLN 46 -1.878 -9.420 -9.877 362 HE22 GLN 46 2HE2 GLN 46 -1.284 -9.340 -11.529 363 H TYR 47 H TYR 47 -3.695 -13.963 -7.085 364 HA TYR 47 HA TYR 47 -3.215 -13.600 -4.361 365 HB2 TYR 47 1HB TYR 47 -1.813 -15.569 -6.189 366 HB3 TYR 47 2HB TYR 47 -2.009 -15.717 -4.441 367 HD1 TYR 47 2HD TYR 47 -4.803 -15.104 -3.887 368 HD2 TYR 47 1HD TYR 47 -3.090 -17.275 -7.218 369 HE1 TYR 47 2HE TYR 47 -6.949 -16.235 -4.251 370 HE2 TYR 47 1HE TYR 47 -5.225 -18.459 -7.529 371 HH TYR 47 HH TYR 47 -7.098 -19.094 -6.005 372 H GLY 48 H GLY 48 -1.511 -13.083 -3.084 373 HA2 GLY 48 1HA GLY 48 0.641 -12.470 -2.593 374 HA3 GLY 48 2HA GLY 48 1.094 -12.518 -4.263 375 H ASP 49 H ASP 49 -1.697 -10.584 -4.042 376 HA ASP 49 HA ASP 49 -0.633 -8.374 -5.092 377 HB2 ASP 49 1HB ASP 49 -3.193 -9.159 -4.135 378 HB3 ASP 49 2HB ASP 49 -2.875 -7.585 -3.419 379 H LYS 50 H LYS 50 -0.713 -8.959 -1.742 380 HA LYS 50 HA LYS 50 0.144 -8.090 0.143 381 HB2 LYS 50 1HB LYS 50 2.140 -8.345 -1.218 382 HB3 LYS 50 2HB LYS 50 1.973 -6.571 -1.648 383 HG2 LYS 50 1HG LYS 50 2.543 -5.864 0.500 384 HG3 LYS 50 2HG LYS 50 2.355 -7.476 1.213 385 HD2 LYS 50 1HD LYS 50 4.417 -6.919 -0.934 386 HD3 LYS 50 2HD LYS 50 4.752 -6.628 0.788 387 HE2 LYS 50 1HE LYS 50 4.515 -8.898 1.379 388 HE3 LYS 50 2HE LYS 50 3.612 -9.291 -0.088 389 HZ1 LYS 50 3HZ LYS 50 5.823 -10.120 -0.181 390 HZ2 LYS 50 1HZ LYS 50 6.490 -8.643 -0.002 391 HZ3 LYS 50 2HZ LYS 50 5.593 -9.009 -1.366 392 H LEU 51 H LEU 51 0.247 -6.438 1.675 393 HA LEU 51 HA LEU 51 -0.431 -3.758 0.793 394 HB2 LEU 51 1HB LEU 51 -2.303 -5.557 2.025 395 HB3 LEU 51 2HB LEU 51 -1.741 -4.585 3.354 396 HG LEU 51 HG LEU 51 -2.795 -2.684 2.608 397 HD11 LEU 51 1HD1 LEU 51 -2.098 -2.423 0.328 398 HD12 LEU 51 2HD1 LEU 51 -3.854 -2.362 0.364 399 HD13 LEU 51 3HD1 LEU 51 -3.026 -3.842 -0.182 400 HD21 LEU 51 3HD2 LEU 51 -5.078 -3.313 2.190 401 HD22 LEU 51 1HD2 LEU 51 -4.370 -4.648 3.123 402 HD23 LEU 51 2HD2 LEU 51 -4.591 -4.826 1.389 403 H VAL 52 H VAL 52 0.281 -2.178 2.425 404 HA VAL 52 HA VAL 52 1.397 -3.163 4.959 405 HB VAL 52 HB VAL 52 2.752 -1.097 3.169 406 HG11 VAL 52 1HG1 VAL 52 2.889 -0.285 5.463 407 HG12 VAL 52 2HG1 VAL 52 3.345 -1.902 6.057 408 HG13 VAL 52 3HG1 VAL 52 4.446 -0.966 5.024 409 HG21 VAL 52 3HG2 VAL 52 4.711 -2.571 3.372 410 HG22 VAL 52 1HG2 VAL 52 3.772 -3.716 4.337 411 HG23 VAL 52 2HG2 VAL 52 3.374 -3.447 2.618 412 H ASP 53 H ASP 53 0.940 -1.580 6.630 413 HA ASP 53 HA ASP 53 -0.967 0.556 5.918 414 HB2 ASP 53 1HB ASP 53 -2.309 -0.038 7.682 415 HB3 ASP 53 2HB ASP 53 -1.791 -1.600 7.103 416 H SER 54 H SER 54 -1.176 2.012 8.007 417 HA SER 54 HA SER 54 1.342 3.327 8.383 418 HB2 SER 54 1HB SER 54 -1.464 3.612 9.465 419 HB3 SER 54 2HB SER 54 -0.146 4.498 10.226 420 HG SER 54 HG SER 54 0.317 5.492 8.297 421 H ASN 55 H ASN 55 0.130 0.577 10.137 422 HA ASN 55 HA ASN 55 1.719 1.179 12.570 423 HB2 ASN 55 1HB ASN 55 0.449 -1.420 11.663 424 HB3 ASN 55 2HB ASN 55 1.300 -1.170 13.168 425 HD21 ASN 55 1HD2 ASN 55 -1.699 -1.013 11.599 426 HD22 ASN 55 2HD2 ASN 55 -2.634 -0.446 12.968 427 H PHE 56 H PHE 56 2.295 0.161 9.331 428 HA PHE 56 HA PHE 56 3.976 -0.847 8.240 429 HB2 PHE 56 1HB PHE 56 5.576 -0.907 10.856 430 HB3 PHE 56 2HB PHE 56 6.168 -1.158 9.256 431 HD1 PHE 56 2HD PHE 56 6.145 0.643 7.602 432 HD2 PHE 56 1HD PHE 56 5.385 1.382 11.745 433 HE1 PHE 56 2HE PHE 56 6.710 3.070 7.260 434 HE2 PHE 56 1HE PHE 56 5.895 3.780 11.438 435 HZ PHE 56 HZ PHE 56 6.583 4.635 9.194 436 H HIS 57 H HIS 57 1.738 -2.190 9.426 437 HA HIS 57 HA HIS 57 2.751 -4.931 9.881 438 HB2 HIS 57 1HB HIS 57 -0.076 -3.810 9.547 439 HB3 HIS 57 2HB HIS 57 0.344 -5.469 9.937 440 HD1 HIS 57 1HD HIS 57 -1.618 -3.815 11.776 441 HD2 HIS 57 2HD HIS 57 2.570 -4.096 12.306 442 HE1 HIS 57 1HE HIS 57 -1.166 -3.483 14.257 443 H CYS 58 H CYS 58 3.530 -5.901 8.005 444 HA CYS 58 HA CYS 58 2.312 -5.222 5.419 445 HB2 CYS 58 1HB CYS 58 4.174 -7.535 5.957 446 HB3 CYS 58 2HB CYS 58 3.899 -6.675 4.439 447 HG CYS 58 HG CYS 58 5.632 -6.085 7.093 448 H PHE 59 H PHE 59 1.026 -6.680 4.238 449 HA PHE 59 HA PHE 59 0.194 -9.238 5.443 450 HB2 PHE 59 1HB PHE 59 -1.642 -6.994 4.523 451 HB3 PHE 59 2HB PHE 59 -2.188 -8.616 4.872 452 HD1 PHE 59 2HD PHE 59 -1.605 -9.491 7.360 453 HD2 PHE 59 1HD PHE 59 -1.740 -5.351 6.174 454 HE1 PHE 59 2HE PHE 59 -1.724 -8.807 9.745 455 HE2 PHE 59 1HE PHE 59 -1.960 -4.678 8.533 456 HZ PHE 59 HZ PHE 59 -1.887 -6.389 10.335 457 H VAL 60 H VAL 60 -0.923 -10.666 3.688 458 HA VAL 60 HA VAL 60 -1.186 -9.442 1.057 459 HB VAL 60 HB VAL 60 1.071 -10.007 1.044 460 HG11 VAL 60 1HG1 VAL 60 0.454 -12.889 1.639 461 HG12 VAL 60 2HG1 VAL 60 2.009 -12.176 1.140 462 HG13 VAL 60 3HG1 VAL 60 1.306 -11.757 2.719 463 HG21 VAL 60 3HG2 VAL 60 -0.362 -10.549 -0.994 464 HG22 VAL 60 1HG2 VAL 60 1.210 -11.383 -0.894 465 HG23 VAL 60 2HG2 VAL 60 -0.297 -12.244 -0.453 466 H LEU 61 H LEU 61 -2.416 -10.610 -0.455 467 HA LEU 61 HA LEU 61 -4.611 -12.175 0.608 468 HB2 LEU 61 1HB LEU 61 -5.080 -10.572 -1.129 469 HB3 LEU 61 2HB LEU 61 -3.834 -11.147 -2.138 470 HG LEU 61 HG LEU 61 -5.135 -13.292 -2.481 471 HD11 LEU 61 1HD1 LEU 61 -6.652 -13.587 -0.742 472 HD12 LEU 61 2HD1 LEU 61 -7.700 -12.890 -1.962 473 HD13 LEU 61 3HD1 LEU 61 -7.084 -11.879 -0.633 474 HD21 LEU 61 3HD2 LEU 61 -5.165 -11.449 -4.076 475 HD22 LEU 61 1HD2 LEU 61 -6.501 -10.676 -3.207 476 HD23 LEU 61 2HD2 LEU 61 -6.733 -12.251 -4.019 477 H GLU 62 H GLU 62 -4.893 -14.397 0.405 478 HA GLU 62 HA GLU 62 -2.651 -15.953 -0.774 479 HB2 GLU 62 1HB GLU 62 -4.283 -16.739 1.502 480 HB3 GLU 62 2HB GLU 62 -3.018 -17.697 0.726 481 HG2 GLU 62 1HG GLU 62 -2.199 -14.893 1.540 482 HG3 GLU 62 2HG GLU 62 -2.661 -16.009 2.726 483 H GLU 63 H GLU 63 -3.702 -18.386 -1.237 484 HA GLU 63 HA GLU 63 -5.518 -18.192 -3.330 485 HB2 GLU 63 1HB GLU 63 -4.875 -20.638 -1.654 486 HB3 GLU 63 2HB GLU 63 -5.637 -20.617 -3.242 487 HG2 GLU 63 1HG GLU 63 -3.551 -21.068 -3.917 488 HG3 GLU 63 2HG GLU 63 -3.429 -19.308 -3.944 489 H ASP 64 H ASP 64 -6.232 -18.305 0.010 490 HA ASP 64 HA ASP 64 -8.889 -19.523 -0.347 491 HB2 ASP 64 1HB ASP 64 -7.032 -19.696 1.690 492 HB3 ASP 64 2HB ASP 64 -8.181 -18.557 2.369 493 H ALA 65 H ALA 65 -8.064 -16.715 -1.208 494 HA ALA 65 HA ALA 65 -8.911 -14.671 -1.471 495 HB1 ALA 65 1HB ALA 65 -11.269 -14.228 -1.294 496 HB2 ALA 65 2HB ALA 65 -11.068 -15.882 -1.910 497 HB3 ALA 65 3HB ALA 65 -11.510 -15.612 -0.216 498 H HIS 66 H HIS 66 -8.204 -15.860 1.528 499 HA HIS 66 HA HIS 66 -8.968 -13.470 2.997 500 HB2 HIS 66 1HB HIS 66 -8.023 -14.518 4.943 501 HB3 HIS 66 2HB HIS 66 -9.072 -15.655 4.123 502 HD1 HIS 66 1HD HIS 66 -7.904 -17.867 5.065 503 HD2 HIS 66 2HD HIS 66 -5.258 -15.142 3.175 504 HE1 HIS 66 1HE HIS 66 -5.653 -19.018 4.846 505 H TRP 67 H TRP 67 -7.171 -12.515 4.461 506 HA TRP 67 HA TRP 67 -4.718 -12.096 2.843 507 HB2 TRP 67 1HB TRP 67 -6.348 -10.089 4.425 508 HB3 TRP 67 2HB TRP 67 -4.640 -9.868 4.113 509 HD1 TRP 67 HD TRP 67 -7.793 -10.530 1.935 510 HE1 TRP 67 1HE TRP 67 -7.374 -9.413 -0.403 511 HE3 TRP 67 3HE TRP 67 -3.082 -8.740 2.606 512 HZ2 TRP 67 2HZ TRP 67 -5.511 -7.660 -1.598 513 HZ3 TRP 67 3HZ TRP 67 -2.014 -7.396 0.890 514 HH2 TRP 67 HH TRP 67 -3.198 -6.785 -1.227 515 H HIS 68 H HIS 68 -2.806 -12.161 4.031 516 HA HIS 68 HA HIS 68 -3.024 -13.206 6.782 517 HB2 HIS 68 1HB HIS 68 -2.060 -14.410 4.202 518 HB3 HIS 68 2HB HIS 68 -0.869 -14.509 5.455 519 HD1 HIS 68 1HD HIS 68 -3.853 -14.910 7.487 520 HD2 HIS 68 2HD HIS 68 -1.575 -17.258 4.806 521 HE1 HIS 68 1HE HIS 68 -4.239 -17.334 8.121 522 HA PRO 69 HA PRO 69 0.285 -10.596 7.865 523 HB2 PRO 69 1HB PRO 69 1.874 -12.047 9.573 524 HB3 PRO 69 2HB PRO 69 0.211 -11.508 9.967 525 HG2 PRO 69 1HG PRO 69 1.113 -14.215 8.936 526 HG3 PRO 69 2HG PRO 69 0.009 -13.863 10.307 527 HD2 PRO 69 1HD PRO 69 -0.901 -14.502 7.831 528 HD3 PRO 69 2HD PRO 69 -1.759 -13.309 8.848 529 H ALA 70 H ALA 70 2.054 -9.787 6.901 530 HA ALA 70 HA ALA 70 4.060 -11.621 5.681 531 HB1 ALA 70 1HB ALA 70 3.104 -8.961 4.625 532 HB2 ALA 70 2HB ALA 70 4.464 -9.907 3.990 533 HB3 ALA 70 3HB ALA 70 2.826 -10.564 3.942 534 H ALA 71 H ALA 71 3.954 -10.686 8.407 535 HA ALA 71 HA ALA 71 5.328 -10.086 10.065 536 HB1 ALA 71 1HB ALA 71 7.713 -10.036 9.729 537 HB2 ALA 71 2HB ALA 71 7.058 -11.211 8.596 538 HB3 ALA 71 3HB ALA 71 7.535 -9.589 8.035 539 HA PRO 72 HA PRO 72 5.223 -5.593 10.169 540 HB2 PRO 72 1HB PRO 72 7.084 -4.807 11.973 541 HB3 PRO 72 2HB PRO 72 5.619 -5.692 12.488 542 HG2 PRO 72 1HG PRO 72 8.350 -6.876 11.897 543 HG3 PRO 72 2HG PRO 72 7.354 -7.102 13.366 544 HD2 PRO 72 1HD PRO 72 7.294 -8.909 11.383 545 HD3 PRO 72 2HD PRO 72 5.785 -8.451 12.211 546 H LEU 73 H LEU 73 6.772 -3.628 9.816 547 HA LEU 73 HA LEU 73 9.007 -4.392 8.038 548 HB2 LEU 73 1HB LEU 73 6.635 -3.538 7.116 549 HB3 LEU 73 2HB LEU 73 7.204 -1.988 7.634 550 HG LEU 73 HG LEU 73 9.035 -1.966 6.138 551 HD11 LEU 73 1HD1 LEU 73 8.115 -4.681 5.065 552 HD12 LEU 73 2HD1 LEU 73 9.583 -4.469 5.998 553 HD13 LEU 73 3HD1 LEU 73 9.454 -3.673 4.438 554 HD21 LEU 73 3HD2 LEU 73 6.773 -1.298 5.326 555 HD22 LEU 73 1HD2 LEU 73 6.536 -2.923 4.695 556 HD23 LEU 73 2HD2 LEU 73 7.804 -1.880 4.015 557 HA PRO 74 HA PRO 74 11.058 -1.315 10.666 558 HB2 PRO 74 1HB PRO 74 13.373 -0.862 9.261 559 HB3 PRO 74 2HB PRO 74 13.042 -2.419 10.068 560 HG2 PRO 74 1HG PRO 74 12.636 -1.707 7.166 561 HG3 PRO 74 2HG PRO 74 13.466 -3.130 7.849 562 HD2 PRO 74 1HD PRO 74 10.858 -3.148 7.031 563 HD3 PRO 74 2HD PRO 74 11.415 -4.167 8.393 564 HA PRO 75 HA PRO 75 9.999 2.592 8.929 565 HB2 PRO 75 1HB PRO 75 12.080 4.330 9.550 566 HB3 PRO 75 2HB PRO 75 10.825 3.762 10.692 567 HG2 PRO 75 1HG PRO 75 13.611 2.662 10.265 568 HG3 PRO 75 2HG PRO 75 12.803 3.046 11.820 569 HD2 PRO 75 1HD PRO 75 12.894 0.522 10.893 570 HD3 PRO 75 2HD PRO 75 11.399 1.144 11.639 571 H GLU 76 H GLU 76 13.226 1.377 7.919 572 HA GLU 76 HA GLU 76 13.277 3.194 5.617 573 HB2 GLU 76 1HB GLU 76 15.345 2.046 5.010 574 HB3 GLU 76 2HB GLU 76 15.390 2.739 6.624 575 HG2 GLU 76 1HG GLU 76 15.196 0.571 7.664 576 HG3 GLU 76 2HG GLU 76 14.887 -0.179 6.092 577 H GLY 77 H GLY 77 12.087 -0.021 6.376 578 HA2 GLY 77 1HA GLY 77 12.158 -1.099 3.790 579 HA3 GLY 77 2HA GLY 77 11.005 -1.558 5.049 580 H LEU 78 H LEU 78 10.349 1.544 4.932 581 HA LEU 78 HA LEU 78 7.938 1.493 3.323 582 HB2 LEU 78 1HB LEU 78 8.130 2.920 5.293 583 HB3 LEU 78 2HB LEU 78 9.659 3.576 4.741 584 HG LEU 78 HG LEU 78 8.562 4.831 2.960 585 HD11 LEU 78 1HD1 LEU 78 6.628 3.366 2.535 586 HD12 LEU 78 2HD1 LEU 78 6.116 5.033 2.917 587 HD13 LEU 78 3HD1 LEU 78 5.971 3.753 4.141 588 HD21 LEU 78 3HD2 LEU 78 7.412 6.434 4.437 589 HD22 LEU 78 1HD2 LEU 78 8.904 5.838 5.175 590 HD23 LEU 78 2HD2 LEU 78 7.336 5.207 5.723 591 H ASN 79 H ASN 79 11.157 2.957 3.059 592 HA ASN 79 HA ASN 79 10.626 4.349 0.623 593 HB2 ASN 79 1HB ASN 79 13.323 3.716 1.896 594 HB3 ASN 79 2HB ASN 79 12.931 5.064 0.832 595 HD21 ASN 79 1HD2 ASN 79 12.134 7.007 1.894 596 HD22 ASN 79 2HD2 ASN 79 11.744 7.006 3.602 597 H ASP 80 H ASP 80 12.169 1.300 1.476 598 HA ASP 80 HA ASP 80 13.248 0.355 -0.928 599 HB2 ASP 80 1HB ASP 80 13.083 -0.766 1.391 600 HB3 ASP 80 2HB ASP 80 11.471 -1.222 1.007 601 H LEU 81 H LEU 81 9.949 0.039 0.271 602 HA LEU 81 HA LEU 81 8.877 -1.204 -2.088 603 HB2 LEU 81 1HB LEU 81 7.471 0.403 0.097 604 HB3 LEU 81 2HB LEU 81 6.680 -0.487 -1.177 605 HG LEU 81 HG LEU 81 8.344 -1.646 1.075 606 HD11 LEU 81 1HD1 LEU 81 6.038 -1.031 1.636 607 HD12 LEU 81 2HD1 LEU 81 6.251 -2.786 1.648 608 HD13 LEU 81 3HD1 LEU 81 5.426 -2.003 0.278 609 HD21 LEU 81 3HD2 LEU 81 8.957 -3.017 -0.740 610 HD22 LEU 81 1HD2 LEU 81 7.306 -3.019 -1.407 611 HD23 LEU 81 2HD2 LEU 81 7.688 -3.893 0.111 612 H ILE 82 H ILE 82 8.573 2.219 -0.988 613 HA ILE 82 HA ILE 82 7.267 3.065 -3.339 614 HB ILE 82 HB ILE 82 8.860 4.547 -1.230 615 HG12 ILE 82 1HG1 ILE 82 6.683 3.425 -0.659 616 HG13 ILE 82 2HG1 ILE 82 6.731 5.147 -0.357 617 HG21 ILE 82 1HG2 ILE 82 7.439 5.781 -3.620 618 HG22 ILE 82 2HG2 ILE 82 7.667 6.664 -2.114 619 HG23 ILE 82 3HG2 ILE 82 9.077 6.091 -3.008 620 HD11 ILE 82 3HD1 ILE 82 5.599 4.411 -3.034 621 HD12 ILE 82 1HD1 ILE 82 4.667 3.914 -1.620 622 HD13 ILE 82 2HD1 ILE 82 5.086 5.613 -1.833 623 H ARG 83 H ARG 83 10.786 2.523 -2.891 624 HA ARG 83 HA ARG 83 11.818 3.929 -4.933 625 HB2 ARG 83 1HB ARG 83 12.747 2.014 -3.230 626 HB3 ARG 83 2HB ARG 83 12.555 1.003 -4.655 627 HG2 ARG 83 1HG ARG 83 13.719 3.170 -5.762 628 HG3 ARG 83 2HG ARG 83 14.335 3.367 -4.126 629 HD2 ARG 83 1HD ARG 83 14.650 0.885 -5.885 630 HD3 ARG 83 2HD ARG 83 15.877 2.149 -5.702 631 HE ARG 83 HE ARG 83 15.442 1.381 -3.118 632 HH11 ARG 83 1HH1 ARG 83 16.322 -0.336 -6.080 633 HH12 ARG 83 2HH1 ARG 83 17.280 -1.552 -5.303 634 HH21 ARG 83 1HH2 ARG 83 16.613 -0.291 -2.039 635 HH22 ARG 83 2HH2 ARG 83 17.414 -1.540 -2.933 636 H ALA 84 H ALA 84 9.786 0.958 -5.263 637 HA ALA 84 HA ALA 84 10.362 0.707 -8.049 638 HB1 ALA 84 1HB ALA 84 7.838 -0.311 -6.679 639 HB2 ALA 84 2HB ALA 84 8.649 -0.949 -8.131 640 HB3 ALA 84 3HB ALA 84 9.413 -1.118 -6.546 641 H HIS 85 H HIS 85 7.705 2.334 -6.339 642 HA HIS 85 HA HIS 85 6.179 3.064 -8.652 643 HB2 HIS 85 1HB HIS 85 5.337 3.051 -6.305 644 HB3 HIS 85 2HB HIS 85 6.357 4.427 -5.925 645 HD1 HIS 85 1HD HIS 85 2.771 3.797 -6.941 646 HD2 HIS 85 2HD HIS 85 5.733 6.789 -7.379 647 HE1 HIS 85 1HE HIS 85 1.604 5.822 -7.690 648 H CYS 86 H CYS 86 8.754 4.738 -6.788 649 HA CYS 86 HA CYS 86 8.650 7.129 -8.459 650 HB2 CYS 86 1HB CYS 86 10.792 5.939 -6.594 651 HB3 CYS 86 2HB CYS 86 10.877 7.574 -7.283 652 HG CYS 86 HG CYS 86 10.092 7.928 -4.827 653 H ALA 87 H ALA 87 10.802 4.208 -8.472 654 HA ALA 87 HA ALA 87 12.472 5.219 -10.516 655 HB1 ALA 87 1HB ALA 87 11.781 2.345 -9.766 656 HB2 ALA 87 2HB ALA 87 13.121 2.815 -10.824 657 HB3 ALA 87 3HB ALA 87 13.129 3.305 -9.116 658 H THR 88 H THR 88 9.454 3.218 -10.740 659 HA THR 88 HA THR 88 9.830 2.847 -13.546 660 HB THR 88 HB THR 88 8.467 1.361 -12.110 661 HG1 THR 88 1HG THR 88 7.413 2.506 -14.441 662 HG21 THR 88 3HG2 THR 88 6.187 1.779 -11.564 663 HG22 THR 88 1HG2 THR 88 6.164 3.305 -12.448 664 HG23 THR 88 2HG2 THR 88 7.089 3.160 -10.939 665 H LEU 89 H LEU 89 8.728 5.659 -11.829 666 HA LEU 89 HA LEU 89 7.338 6.695 -14.252 667 HB2 LEU 89 1HB LEU 89 7.178 7.547 -11.333 668 HB3 LEU 89 2HB LEU 89 6.263 8.244 -12.670 669 HG LEU 89 HG LEU 89 6.069 5.386 -11.646 670 HD11 LEU 89 1HD1 LEU 89 4.124 7.688 -11.473 671 HD12 LEU 89 2HD1 LEU 89 5.014 6.888 -10.156 672 HD13 LEU 89 3HD1 LEU 89 3.753 6.007 -11.023 673 HD21 LEU 89 3HD2 LEU 89 4.079 5.193 -13.201 674 HD22 LEU 89 1HD2 LEU 89 5.649 5.215 -14.003 675 HD23 LEU 89 2HD2 LEU 89 4.660 6.678 -13.987 676 H GLY 90 H GLY 90 9.945 7.411 -11.957 677 HA2 GLY 90 1HA GLY 90 11.889 8.587 -12.847 678 HA3 GLY 90 2HA GLY 90 10.805 9.696 -13.690 679 H HIS 91 H HIS 91 9.952 8.719 -10.415 680 HA HIS 91 HA HIS 91 9.898 11.505 -9.666 681 HB2 HIS 91 1HB HIS 91 9.474 9.152 -7.837 682 HB3 HIS 91 2HB HIS 91 8.991 10.802 -7.560 683 HD1 HIS 91 1HD HIS 91 6.824 8.663 -7.280 684 HD2 HIS 91 2HD HIS 91 7.753 10.788 -10.762 685 HE1 HIS 91 1HE HIS 91 4.705 8.702 -8.693 686 H CYS 92 H CYS 92 10.802 12.382 -7.750 687 HA CYS 92 HA CYS 92 13.658 12.001 -7.462 688 HB2 CYS 92 1HB CYS 92 13.409 14.004 -5.999 689 HB3 CYS 92 2HB CYS 92 12.620 14.247 -7.563 690 HG CYS 92 HG CYS 92 10.222 14.271 -6.832 691 H CYS 93 H CYS 93 14.373 12.318 -4.936 692 HA CYS 93 HA CYS 93 12.623 11.269 -2.979 693 HB2 CYS 93 1HB CYS 93 14.196 9.328 -2.278 694 HB3 CYS 93 2HB CYS 93 13.124 9.059 -3.661 695 HG CYS 93 HG CYS 93 15.477 7.899 -3.973 696 H THR 94 H THR 94 12.869 12.941 -1.677 697 HA THR 94 HA THR 94 15.583 13.493 -0.603 698 HB THR 94 HB THR 94 15.556 15.693 -1.299 699 HG1 THR 94 1HG THR 94 12.884 15.699 -2.160 700 HG21 THR 94 3HG2 THR 94 15.802 14.347 -3.358 701 HG22 THR 94 1HG2 THR 94 14.981 15.868 -3.698 702 HG23 THR 94 2HG2 THR 94 14.038 14.346 -3.606 703 H SER 95 H SER 95 15.397 15.108 1.254 704 HA SER 95 HA SER 95 14.529 15.991 3.128 705 HB2 SER 95 1HB SER 95 12.410 16.177 1.462 706 HB3 SER 95 2HB SER 95 11.698 15.171 2.727 707 HG SER 95 HG SER 95 11.593 17.526 2.812 708 H LYS 96 H LYS 96 15.315 14.878 4.775 709 HA LYS 96 HA LYS 96 15.800 13.160 6.189 710 HB2 LYS 96 1HB LYS 96 13.898 14.458 7.118 711 HB3 LYS 96 2HB LYS 96 12.775 13.229 6.516 712 HG2 LYS 96 1HG LYS 96 13.646 11.568 7.992 713 HG3 LYS 96 2HG LYS 96 15.153 12.475 8.255 714 HD2 LYS 96 1HD LYS 96 13.969 12.631 10.228 715 HD3 LYS 96 2HD LYS 96 13.781 14.228 9.485 716 HE2 LYS 96 1HE LYS 96 11.493 13.594 8.738 717 HE3 LYS 96 2HE LYS 96 11.780 11.942 9.293 718 HZ1 LYS 96 3HZ LYS 96 10.591 12.875 11.003 719 HZ2 LYS 96 1HZ LYS 96 11.369 14.332 10.955 720 HZ3 LYS 96 2HZ LYS 96 12.131 13.018 11.552 721 H MET 97 H MET 97 16.376 11.965 4.124 722 HA MET 97 HA MET 97 16.340 10.223 2.706 723 HB2 MET 97 1HB MET 97 17.163 9.223 4.810 724 HB3 MET 97 2HB MET 97 15.533 8.702 5.202 725 HG2 MET 97 1HG MET 97 17.043 6.947 4.272 726 HG3 MET 97 2HG MET 97 15.505 7.096 3.455 727 HE1 MET 97 3HE MET 97 15.055 7.296 1.238 728 HE2 MET 97 1HE MET 97 15.634 8.914 0.820 729 HE3 MET 97 2HE MET 97 16.201 7.518 -0.115 730 H HIS 98 H HIS 98 14.259 11.603 2.022 731 HA HIS 98 HA HIS 98 12.632 11.316 0.437 732 HB2 HIS 98 1HB HIS 98 13.545 9.214 -0.039 733 HB3 HIS 98 2HB HIS 98 12.241 8.503 0.948 734 HD1 HIS 98 1HD HIS 98 10.514 11.474 -0.427 735 HD2 HIS 98 2HD HIS 98 11.983 7.811 -1.654 736 HE1 HIS 98 1HE HIS 98 9.469 11.077 -2.666 737 H LEU 99 H LEU 99 11.839 9.227 3.217 738 HA LEU 99 HA LEU 99 9.174 10.565 3.534 739 HB2 LEU 99 1HB LEU 99 9.553 7.552 3.250 740 HB3 LEU 99 2HB LEU 99 8.039 8.426 3.337 741 HG LEU 99 HG LEU 99 9.960 8.636 1.005 742 HD11 LEU 99 1HD1 LEU 99 9.262 6.309 1.233 743 HD12 LEU 99 2HD1 LEU 99 8.530 7.047 -0.161 744 HD13 LEU 99 3HD1 LEU 99 7.565 6.809 1.319 745 HD21 LEU 99 3HD2 LEU 99 7.880 9.444 -0.164 746 HD22 LEU 99 1HD2 LEU 99 8.454 10.511 1.104 747 HD23 LEU 99 2HD2 LEU 99 7.079 9.463 1.445 748 H HIS 100 H HIS 100 9.011 10.991 5.729 749 HA HIS 100 HA HIS 100 10.535 9.510 7.660 750 HB2 HIS 100 1HB HIS 100 9.734 11.885 7.891 751 HB3 HIS 100 2HB HIS 100 8.097 11.285 8.082 752 HD1 HIS 100 1HD HIS 100 7.783 12.083 10.584 753 HD2 HIS 100 2HD HIS 100 11.183 9.674 9.899 754 HE1 HIS 100 1HE HIS 100 8.824 11.626 12.864 755 H SER 101 H SER 101 7.202 9.409 6.513 756 HA SER 101 HA SER 101 6.616 6.923 8.052 757 HB2 SER 101 1HB SER 101 5.089 9.572 8.088 758 HB3 SER 101 2HB SER 101 4.541 8.076 8.865 759 HG SER 101 HG SER 101 6.273 8.137 10.219 760 H VAL 102 H VAL 102 4.416 5.999 7.389 761 HA VAL 102 HA VAL 102 4.043 5.842 4.566 762 HB VAL 102 HB VAL 102 2.190 5.210 6.912 763 HG11 VAL 102 1HG1 VAL 102 1.819 4.570 3.982 764 HG12 VAL 102 2HG1 VAL 102 0.892 3.802 5.293 765 HG13 VAL 102 3HG1 VAL 102 0.757 5.544 4.996 766 HG21 VAL 102 3HG2 VAL 102 3.882 3.405 5.141 767 HG22 VAL 102 1HG2 VAL 102 4.235 3.832 6.833 768 HG23 VAL 102 2HG2 VAL 102 2.807 2.881 6.445 769 H MET 103 H MET 103 2.681 7.939 7.074 770 HA MET 103 HA MET 103 0.799 9.375 5.693 771 HB2 MET 103 1HB MET 103 1.923 9.574 8.164 772 HB3 MET 103 2HB MET 103 2.742 10.920 7.400 773 HG2 MET 103 1HG MET 103 0.890 11.925 8.299 774 HG3 MET 103 2HG MET 103 0.376 11.683 6.639 775 HE1 MET 103 3HE MET 103 -2.675 9.484 6.840 776 HE2 MET 103 1HE MET 103 -2.238 11.151 6.431 777 HE3 MET 103 2HE MET 103 -1.253 9.797 5.839 778 H ASP 104 H ASP 104 4.316 10.009 5.680 779 HA ASP 104 HA ASP 104 4.300 12.354 4.063 780 HB2 ASP 104 1HB ASP 104 6.446 10.198 4.492 781 HB3 ASP 104 2HB ASP 104 6.645 11.503 3.338 782 H ALA 105 H ALA 105 4.681 8.933 3.346 783 HA ALA 105 HA ALA 105 5.164 9.108 0.571 784 HB1 ALA 105 1HB ALA 105 4.883 6.706 0.616 785 HB2 ALA 105 2HB ALA 105 5.597 7.177 2.183 786 HB3 ALA 105 3HB ALA 105 3.883 6.786 2.092 787 H ILE 106 H ILE 106 2.057 8.451 2.263 788 HA ILE 106 HA ILE 106 0.573 7.905 -0.111 789 HB ILE 106 HB ILE 106 -0.229 8.984 2.619 790 HG12 ILE 106 1HG1 ILE 106 0.757 6.672 2.565 791 HG13 ILE 106 2HG1 ILE 106 -0.846 6.808 3.221 792 HG21 ILE 106 1HG2 ILE 106 -2.022 9.651 1.183 793 HG22 ILE 106 2HG2 ILE 106 -2.076 8.071 0.391 794 HG23 ILE 106 3HG2 ILE 106 -2.555 8.240 2.101 795 HD11 ILE 106 3HD1 ILE 106 -0.061 5.662 0.547 796 HD12 ILE 106 1HD1 ILE 106 -0.663 4.796 1.961 797 HD13 ILE 106 2HD1 ILE 106 -1.763 5.862 1.085 798 H ASP 107 H ASP 107 1.213 10.999 1.635 799 HA ASP 107 HA ASP 107 -0.469 12.590 -0.067 800 HB2 ASP 107 1HB ASP 107 0.503 13.104 2.272 801 HB3 ASP 107 2HB ASP 107 1.880 13.739 1.390 802 H PHE 108 H PHE 108 2.998 11.931 0.019 803 HA PHE 108 HA PHE 108 3.915 13.496 -2.089 804 HB2 PHE 108 1HB PHE 108 5.423 12.173 -0.657 805 HB3 PHE 108 2HB PHE 108 4.816 10.687 -1.348 806 HD1 PHE 108 2HD PHE 108 6.202 13.940 -2.721 807 HD2 PHE 108 1HD PHE 108 6.331 9.627 -2.791 808 HE1 PHE 108 2HE PHE 108 7.932 13.997 -4.503 809 HE2 PHE 108 1HE PHE 108 7.985 9.713 -4.619 810 HZ PHE 108 HZ PHE 108 8.821 11.900 -5.448 811 H LEU 109 H LEU 109 2.931 9.985 -2.567 812 HA LEU 109 HA LEU 109 2.727 10.028 -5.309 813 HB2 LEU 109 1HB LEU 109 1.308 8.492 -3.085 814 HB3 LEU 109 2HB LEU 109 0.978 8.225 -4.803 815 HG LEU 109 HG LEU 109 3.410 7.884 -5.164 816 HD11 LEU 109 1HD1 LEU 109 4.391 8.771 -3.118 817 HD12 LEU 109 2HD1 LEU 109 4.912 7.144 -3.513 818 HD13 LEU 109 3HD1 LEU 109 3.706 7.394 -2.226 819 HD21 LEU 109 3HD2 LEU 109 2.009 5.942 -3.252 820 HD22 LEU 109 1HD2 LEU 109 3.321 5.499 -4.381 821 HD23 LEU 109 2HD2 LEU 109 1.752 6.017 -5.011 822 H ASN 110 H ASN 110 0.215 10.968 -2.933 823 HA ASN 110 HA ASN 110 -1.830 11.269 -4.890 824 HB2 ASN 110 1HB ASN 110 -1.473 12.256 -2.056 825 HB3 ASN 110 2HB ASN 110 -2.669 13.056 -3.057 826 HD21 ASN 110 1HD2 ASN 110 -1.683 9.720 -2.128 827 HD22 ASN 110 2HD2 ASN 110 -3.310 9.035 -2.297 828 H ALA 111 H ALA 111 0.770 13.457 -3.894 829 HA ALA 111 HA ALA 111 -0.347 15.783 -5.223 830 HB1 ALA 111 1HB ALA 111 2.438 15.175 -4.131 831 HB2 ALA 111 2HB ALA 111 1.863 16.771 -4.626 832 HB3 ALA 111 3HB ALA 111 1.122 15.959 -3.247 833 H LEU 112 H LEU 112 1.459 13.018 -6.326 834 HA LEU 112 HA LEU 112 2.687 14.371 -8.621 835 HB2 LEU 112 1HB LEU 112 2.570 11.458 -7.706 836 HB3 LEU 112 2HB LEU 112 3.464 12.013 -9.116 837 HG LEU 112 HG LEU 112 4.014 13.187 -6.378 838 HD11 LEU 112 1HD1 LEU 112 5.961 11.224 -7.360 839 HD12 LEU 112 2HD1 LEU 112 4.439 10.491 -6.794 840 HD13 LEU 112 3HD1 LEU 112 5.384 11.535 -5.720 841 HD21 LEU 112 3HD2 LEU 112 5.627 13.007 -8.928 842 HD22 LEU 112 1HD2 LEU 112 6.179 13.726 -7.396 843 HD23 LEU 112 2HD2 LEU 112 4.806 14.444 -8.270 844 H GLU 113 H GLU 113 0.126 12.027 -7.982 845 HA GLU 113 HA GLU 113 -0.539 11.564 -10.734 846 HB2 GLU 113 1HB GLU 113 -2.375 10.275 -9.919 847 HB3 GLU 113 2HB GLU 113 -0.981 9.962 -8.894 848 HG2 GLU 113 1HG GLU 113 -1.932 11.490 -7.173 849 HG3 GLU 113 2HG GLU 113 -3.328 11.799 -8.213 850 H GLY 114 H GLY 114 -2.970 11.895 -11.546 851 HA2 GLY 114 1HA GLY 114 -4.693 13.821 -10.840 852 HA3 GLY 114 2HA GLY 114 -3.445 14.711 -11.743 Start of MODEL 15 1 H1 MET 1 H MET 1 -17.859 -9.639 9.748 2 HA MET 1 HA MET 1 -19.702 -10.348 8.350 3 HB2 MET 1 1HB MET 1 -20.738 -11.735 10.864 4 HB3 MET 1 2HB MET 1 -21.553 -11.599 9.304 5 HG2 MET 1 1HG MET 1 -19.033 -13.153 9.952 6 HG3 MET 1 2HG MET 1 -20.585 -13.811 9.489 7 HE1 MET 1 3HE MET 1 -21.540 -12.283 6.915 8 HE2 MET 1 1HE MET 1 -20.759 -13.301 5.682 9 HE3 MET 1 2HE MET 1 -21.460 -14.044 7.131 10 H GLY 2 H GLY 2 -20.854 -8.482 8.058 11 HA2 GLY 2 1HA GLY 2 -22.161 -6.684 8.522 12 HA3 GLY 2 2HA GLY 2 -22.458 -7.318 10.147 13 H ALA 3 H ALA 3 -19.170 -6.758 8.906 14 HA ALA 3 HA ALA 3 -18.753 -4.852 11.124 15 HB1 ALA 3 1HB ALA 3 -16.781 -6.283 9.307 16 HB2 ALA 3 2HB ALA 3 -16.367 -5.259 10.689 17 HB3 ALA 3 3HB ALA 3 -17.262 -6.780 10.951 18 H GLY 4 H GLY 4 -18.335 -5.010 7.648 19 HA2 GLY 4 1HA GLY 4 -18.528 -2.446 6.693 20 HA3 GLY 4 2HA GLY 4 -16.937 -2.524 7.497 21 H GLN 5 H GLN 5 -16.007 -2.332 5.281 22 HA GLN 5 HA GLN 5 -15.661 -5.009 4.055 23 HB2 GLN 5 1HB GLN 5 -16.289 -2.537 2.408 24 HB3 GLN 5 2HB GLN 5 -15.664 -4.097 1.823 25 HG2 GLN 5 1HG GLN 5 -17.724 -5.221 2.555 26 HG3 GLN 5 2HG GLN 5 -18.360 -3.683 3.158 27 HE21 GLN 5 1HE2 GLN 5 -20.139 -3.431 1.732 28 HE22 GLN 5 2HE2 GLN 5 -20.005 -3.420 0.006 29 H THR 6 H THR 6 -13.673 -5.095 5.040 30 HA THR 6 HA THR 6 -11.572 -3.225 3.997 31 HB THR 6 HB THR 6 -10.483 -3.851 6.365 32 HG1 THR 6 1HG THR 6 -12.018 -5.106 7.246 33 HG21 THR 6 3HG2 THR 6 -11.494 -1.815 7.334 34 HG22 THR 6 1HG2 THR 6 -12.711 -1.800 6.036 35 HG23 THR 6 2HG2 THR 6 -10.996 -1.555 5.662 36 HA PRO 7 HA PRO 7 -9.341 -6.844 2.817 37 HB2 PRO 7 1HB PRO 7 -6.707 -6.206 3.077 38 HB3 PRO 7 2HB PRO 7 -7.771 -5.437 1.866 39 HG2 PRO 7 1HG PRO 7 -6.978 -4.365 4.582 40 HG3 PRO 7 2HG PRO 7 -6.972 -3.510 3.008 41 HD2 PRO 7 1HD PRO 7 -9.031 -3.275 4.783 42 HD3 PRO 7 2HD PRO 7 -9.301 -3.274 3.011 43 H HIS 8 H HIS 8 -8.067 -5.492 5.908 44 HA HIS 8 HA HIS 8 -8.241 -8.081 7.232 45 HB2 HIS 8 1HB HIS 8 -5.863 -7.698 6.195 46 HB3 HIS 8 2HB HIS 8 -5.702 -6.367 7.311 47 HD1 HIS 8 1HD HIS 8 -4.454 -7.158 9.478 48 HD2 HIS 8 2HD HIS 8 -6.598 -10.157 7.473 49 HE1 HIS 8 1HE HIS 8 -4.212 -9.304 10.881 50 HA PRO 9 HA PRO 9 -9.503 -4.900 10.148 51 HB2 PRO 9 1HB PRO 9 -9.536 -6.164 12.539 52 HB3 PRO 9 2HB PRO 9 -10.673 -6.559 11.217 53 HG2 PRO 9 1HG PRO 9 -8.071 -8.000 11.885 54 HG3 PRO 9 2HG PRO 9 -9.688 -8.729 11.670 55 HD2 PRO 9 1HD PRO 9 -7.928 -8.642 9.632 56 HD3 PRO 9 2HD PRO 9 -9.661 -8.340 9.327 57 H GLN 10 H GLN 10 -6.484 -6.697 10.915 58 HA GLN 10 HA GLN 10 -5.557 -4.518 12.668 59 HB2 GLN 10 1HB GLN 10 -4.160 -7.051 11.744 60 HB3 GLN 10 2HB GLN 10 -3.462 -5.842 12.807 61 HG2 GLN 10 1HG GLN 10 -5.820 -6.347 14.126 62 HG3 GLN 10 2HG GLN 10 -5.472 -7.933 13.431 63 HE21 GLN 10 1HE2 GLN 10 -2.808 -8.361 13.646 64 HE22 GLN 10 2HE2 GLN 10 -2.181 -8.069 15.245 65 H LEU 11 H LEU 11 -5.681 -4.734 9.275 66 HA LEU 11 HA LEU 11 -3.196 -3.297 8.720 67 HB2 LEU 11 1HB LEU 11 -4.206 -4.527 6.940 68 HB3 LEU 11 2HB LEU 11 -5.800 -3.838 7.228 69 HG LEU 11 HG LEU 11 -3.663 -1.865 6.631 70 HD11 LEU 11 1HD1 LEU 11 -4.650 -3.744 4.472 71 HD12 LEU 11 2HD1 LEU 11 -2.987 -3.623 5.089 72 HD13 LEU 11 3HD1 LEU 11 -3.699 -2.262 4.213 73 HD21 LEU 11 3HD2 LEU 11 -5.462 -0.909 5.169 74 HD22 LEU 11 1HD2 LEU 11 -6.015 -1.127 6.823 75 HD23 LEU 11 2HD2 LEU 11 -6.507 -2.281 5.573 76 H ILE 12 H ILE 12 -2.889 -1.140 9.173 77 HA ILE 12 HA ILE 12 -5.292 0.430 10.069 78 HB ILE 12 HB ILE 12 -2.405 0.847 10.864 79 HG12 ILE 12 1HG1 ILE 12 -2.882 -1.203 11.841 80 HG13 ILE 12 2HG1 ILE 12 -2.995 0.031 13.083 81 HG21 ILE 12 1HG2 ILE 12 -3.380 2.283 12.645 82 HG22 ILE 12 2HG2 ILE 12 -3.770 2.877 11.035 83 HG23 ILE 12 3HG2 ILE 12 -5.007 2.014 11.973 84 HD11 ILE 12 3HD1 ILE 12 -5.520 -0.053 12.868 85 HD12 ILE 12 1HD1 ILE 12 -5.320 -1.453 11.803 86 HD13 ILE 12 2HD1 ILE 12 -4.772 -1.539 13.471 87 H TRP 13 H TRP 13 -5.859 2.027 8.694 88 HA TRP 13 HA TRP 13 -4.392 2.608 6.336 89 HB2 TRP 13 1HB TRP 13 -6.648 4.166 7.589 90 HB3 TRP 13 2HB TRP 13 -6.128 4.265 5.932 91 HD1 TRP 13 HD TRP 13 -8.242 2.221 8.221 92 HE1 TRP 13 1HE TRP 13 -9.470 0.407 7.012 93 HE3 TRP 13 3HE TRP 13 -5.774 2.514 3.746 94 HZ2 TRP 13 2HZ TRP 13 -9.264 -0.972 4.430 95 HZ3 TRP 13 3HZ TRP 13 -6.254 0.829 1.969 96 HH2 TRP 13 HH TRP 13 -7.989 -0.892 2.288 97 HA PRO 14 HA PRO 14 -4.383 4.509 4.848 98 HB2 PRO 14 1HB PRO 14 -2.258 5.408 3.524 99 HB3 PRO 14 2HB PRO 14 -3.457 6.511 4.234 100 HG2 PRO 14 1HG PRO 14 -0.770 5.737 5.351 101 HG3 PRO 14 2HG PRO 14 -1.510 7.364 5.289 102 HD2 PRO 14 1HD PRO 14 -1.563 5.763 7.513 103 HD3 PRO 14 2HD PRO 14 -2.913 6.872 7.117 104 H ALA 15 H ALA 15 -3.386 3.365 2.883 105 HA ALA 15 HA ALA 15 -1.403 1.307 3.683 106 HB1 ALA 15 1HB ALA 15 -2.634 -0.480 2.955 107 HB2 ALA 15 2HB ALA 15 -3.947 0.505 3.615 108 HB3 ALA 15 3HB ALA 15 -3.664 0.491 1.874 109 H LEU 16 H LEU 16 -0.536 0.167 1.826 110 HA LEU 16 HA LEU 16 -0.444 1.641 -0.735 111 HB2 LEU 16 1HB LEU 16 1.770 1.229 1.283 112 HB3 LEU 16 2HB LEU 16 2.190 1.141 -0.416 113 HG LEU 16 HG LEU 16 0.678 3.515 0.750 114 HD11 LEU 16 1HD1 LEU 16 3.670 3.164 0.406 115 HD12 LEU 16 2HD1 LEU 16 2.788 3.389 1.919 116 HD13 LEU 16 3HD1 LEU 16 2.850 4.714 0.750 117 HD21 LEU 16 3HD2 LEU 16 1.275 4.663 -1.226 118 HD22 LEU 16 1HD2 LEU 16 0.722 3.086 -1.811 119 HD23 LEU 16 2HD2 LEU 16 2.455 3.441 -1.706 120 H LEU 17 H LEU 17 -1.234 0.087 -2.004 121 HA LEU 17 HA LEU 17 -0.502 -2.762 -1.679 122 HB2 LEU 17 1HB LEU 17 -2.824 -2.082 -2.368 123 HB3 LEU 17 2HB LEU 17 -2.128 -1.237 -3.734 124 HG LEU 17 HG LEU 17 -1.227 -3.516 -4.545 125 HD11 LEU 17 1HD1 LEU 17 -1.572 -4.776 -2.426 126 HD12 LEU 17 2HD1 LEU 17 -2.464 -5.486 -3.771 127 HD13 LEU 17 3HD1 LEU 17 -3.325 -4.512 -2.556 128 HD21 LEU 17 3HD2 LEU 17 -4.233 -3.016 -4.388 129 HD22 LEU 17 1HD2 LEU 17 -3.424 -4.119 -5.520 130 HD23 LEU 17 2HD2 LEU 17 -3.110 -2.380 -5.605 131 H LYS 18 H LYS 18 1.084 -3.727 -3.026 132 HA LYS 18 HA LYS 18 2.069 -2.147 -5.294 133 HB2 LYS 18 1HB LYS 18 3.668 -2.088 -3.072 134 HB3 LYS 18 2HB LYS 18 4.289 -3.548 -3.848 135 HG2 LYS 18 1HG LYS 18 3.999 -0.884 -5.242 136 HG3 LYS 18 2HG LYS 18 5.496 -1.483 -4.509 137 HD2 LYS 18 1HD LYS 18 3.956 -2.747 -6.807 138 HD3 LYS 18 2HD LYS 18 5.366 -1.733 -6.959 139 HE2 LYS 18 1HE LYS 18 5.382 -4.400 -5.468 140 HE3 LYS 18 2HE LYS 18 5.615 -4.192 -7.202 141 HZ1 LYS 18 3HZ LYS 18 7.463 -3.160 -5.147 142 HZ2 LYS 18 1HZ LYS 18 7.511 -2.768 -6.748 143 HZ3 LYS 18 2HZ LYS 18 7.729 -4.293 -6.275 144 H GLN 19 H GLN 19 0.993 -3.521 -6.668 145 HA GLN 19 HA GLN 19 0.590 -6.265 -6.202 146 HB2 GLN 19 1HB GLN 19 0.474 -4.493 -8.660 147 HB3 GLN 19 2HB GLN 19 0.310 -6.238 -8.814 148 HG2 GLN 19 1HG GLN 19 -1.490 -5.978 -6.898 149 HG3 GLN 19 2HG GLN 19 -1.523 -4.309 -7.427 150 HE21 GLN 19 1HE2 GLN 19 -2.912 -7.346 -7.949 151 HE22 GLN 19 2HE2 GLN 19 -3.849 -6.794 -9.302 152 H GLN 20 H GLN 20 1.456 -8.142 -6.985 153 HA GLN 20 HA GLN 20 4.278 -8.136 -7.226 154 HB2 GLN 20 1HB GLN 20 2.145 -9.911 -6.475 155 HB3 GLN 20 2HB GLN 20 2.968 -10.688 -7.813 156 HG2 GLN 20 1HG GLN 20 3.897 -11.303 -5.650 157 HG3 GLN 20 2HG GLN 20 5.084 -10.517 -6.704 158 HE21 GLN 20 1HE2 GLN 20 6.130 -10.576 -4.424 159 HE22 GLN 20 2HE2 GLN 20 5.993 -9.044 -3.583 160 H GLY 21 H GLY 21 4.999 -7.170 -8.912 161 HA2 GLY 21 1HA GLY 21 5.907 -8.035 -11.148 162 HA3 GLY 21 2HA GLY 21 4.205 -7.949 -11.663 163 H CYS 22 H CYS 22 3.346 -5.736 -10.278 164 HA CYS 22 HA CYS 22 4.206 -3.606 -11.988 165 HB2 CYS 22 1HB CYS 22 2.533 -3.503 -9.440 166 HB3 CYS 22 2HB CYS 22 2.521 -2.324 -10.744 167 HG CYS 22 HG CYS 22 1.560 -3.858 -12.615 168 H ASN 23 H ASN 23 4.645 -1.461 -11.023 169 HA ASN 23 HA ASN 23 6.544 -1.582 -8.721 170 HB2 ASN 23 1HB ASN 23 6.882 0.375 -11.051 171 HB3 ASN 23 2HB ASN 23 8.053 -0.016 -9.846 172 HD21 ASN 23 1HD2 ASN 23 7.207 -0.639 -13.051 173 HD22 ASN 23 2HD2 ASN 23 7.564 -2.341 -13.120 174 H GLU 24 H GLU 24 4.108 0.061 -10.597 175 HA GLU 24 HA GLU 24 4.054 2.644 -9.468 176 HB2 GLU 24 1HB GLU 24 3.339 1.909 -11.688 177 HB3 GLU 24 2HB GLU 24 2.114 0.857 -10.989 178 HG2 GLU 24 1HG GLU 24 0.851 2.822 -10.198 179 HG3 GLU 24 2HG GLU 24 2.122 3.896 -10.839 180 H LEU 25 H LEU 25 3.951 2.521 -7.199 181 HA LEU 25 HA LEU 25 2.324 0.890 -5.588 182 HB2 LEU 25 1HB LEU 25 3.509 3.653 -5.232 183 HB3 LEU 25 2HB LEU 25 2.215 3.228 -4.170 184 HG LEU 25 HG LEU 25 4.259 2.860 -3.061 185 HD11 LEU 25 1HD1 LEU 25 3.065 0.142 -3.657 186 HD12 LEU 25 2HD1 LEU 25 2.319 1.337 -2.641 187 HD13 LEU 25 3HD1 LEU 25 3.899 0.667 -2.184 188 HD21 LEU 25 3HD2 LEU 25 5.067 1.089 -5.370 189 HD22 LEU 25 1HD2 LEU 25 5.800 0.964 -3.754 190 HD23 LEU 25 2HD2 LEU 25 5.911 2.473 -4.653 191 H LEU 26 H LEU 26 0.283 0.950 -4.832 192 HA LEU 26 HA LEU 26 -1.569 2.967 -5.932 193 HB2 LEU 26 1HB LEU 26 -1.939 0.648 -6.700 194 HB3 LEU 26 2HB LEU 26 -2.491 0.294 -5.081 195 HG LEU 26 HG LEU 26 -4.328 0.667 -6.531 196 HD11 LEU 26 1HD1 LEU 26 -4.536 1.255 -4.134 197 HD12 LEU 26 2HD1 LEU 26 -5.657 2.123 -5.188 198 HD13 LEU 26 3HD1 LEU 26 -4.244 2.961 -4.562 199 HD21 LEU 26 3HD2 LEU 26 -4.900 2.762 -7.552 200 HD22 LEU 26 1HD2 LEU 26 -3.279 2.307 -8.093 201 HD23 LEU 26 2HD2 LEU 26 -3.485 3.568 -6.855 202 HA PRO 27 HA PRO 27 -1.305 4.046 -1.351 203 HB2 PRO 27 1HB PRO 27 -1.970 6.668 -1.788 204 HB3 PRO 27 2HB PRO 27 -0.312 6.032 -2.010 205 HG2 PRO 27 1HG PRO 27 -2.392 6.584 -4.098 206 HG3 PRO 27 2HG PRO 27 -0.630 6.967 -4.107 207 HD2 PRO 27 1HD PRO 27 -1.723 4.787 -5.345 208 HD3 PRO 27 2HD PRO 27 -0.059 4.803 -4.669 209 H LEU 28 H LEU 28 -3.021 3.872 0.009 210 HA LEU 28 HA LEU 28 -5.753 4.687 -0.876 211 HB2 LEU 28 1HB LEU 28 -4.982 2.376 0.944 212 HB3 LEU 28 2HB LEU 28 -6.590 3.052 0.798 213 HG LEU 28 HG LEU 28 -6.773 1.180 -0.418 214 HD11 LEU 28 1HD1 LEU 28 -5.975 3.070 -2.636 215 HD12 LEU 28 2HD1 LEU 28 -7.525 3.112 -1.794 216 HD13 LEU 28 3HD1 LEU 28 -7.068 1.692 -2.753 217 HD21 LEU 28 3HD2 LEU 28 -5.179 0.246 -2.016 218 HD22 LEU 28 1HD2 LEU 28 -4.456 0.444 -0.407 219 HD23 LEU 28 2HD2 LEU 28 -4.076 1.597 -1.700 220 H ARG 29 H ARG 29 -6.184 6.503 0.200 221 HA ARG 29 HA ARG 29 -4.836 7.476 2.500 222 HB2 ARG 29 1HB ARG 29 -7.546 8.188 1.254 223 HB3 ARG 29 2HB ARG 29 -6.731 9.168 2.455 224 HG2 ARG 29 1HG ARG 29 -4.935 8.572 0.205 225 HG3 ARG 29 2HG ARG 29 -6.436 9.257 -0.389 226 HD2 ARG 29 1HD ARG 29 -4.970 10.558 1.910 227 HD3 ARG 29 2HD ARG 29 -4.393 10.761 0.240 228 HE ARG 29 HE ARG 29 -7.175 11.311 0.382 229 HH11 ARG 29 1HH1 ARG 29 -3.969 12.749 0.938 230 HH12 ARG 29 2HH1 ARG 29 -4.503 14.384 0.831 231 HH21 ARG 29 1HH2 ARG 29 -7.885 13.485 0.218 232 HH22 ARG 29 2HH2 ARG 29 -6.719 14.779 0.121 233 H THR 30 H THR 30 -8.148 6.074 2.159 234 HA THR 30 HA THR 30 -7.983 5.062 4.916 235 HB THR 30 HB THR 30 -10.234 5.872 5.440 236 HG1 THR 30 1HG THR 30 -11.408 7.033 4.128 237 HG21 THR 30 3HG2 THR 30 -8.507 8.222 4.568 238 HG22 THR 30 1HG2 THR 30 -8.316 7.295 6.079 239 HG23 THR 30 2HG2 THR 30 -9.806 8.213 5.795 240 H ASN 31 H ASN 31 -10.195 3.686 5.212 241 HA ASN 31 HA ASN 31 -10.376 1.753 3.131 242 HB2 ASN 31 1HB ASN 31 -11.099 1.411 5.488 243 HB3 ASN 31 2HB ASN 31 -12.380 2.603 5.251 244 HD21 ASN 31 1HD2 ASN 31 -11.203 -0.136 3.095 245 HD22 ASN 31 2HD2 ASN 31 -12.736 -0.997 3.192 246 H ASP 32 H ASP 32 -11.986 4.900 3.582 247 HA ASP 32 HA ASP 32 -14.109 4.600 1.714 248 HB2 ASP 32 1HB ASP 32 -12.578 7.194 2.112 249 HB3 ASP 32 2HB ASP 32 -14.237 6.980 1.608 250 H ASP 33 H ASP 33 -10.676 4.937 1.294 251 HA ASP 33 HA ASP 33 -10.727 5.844 -1.496 252 HB2 ASP 33 1HB ASP 33 -8.955 6.459 0.288 253 HB3 ASP 33 2HB ASP 33 -8.346 4.821 0.092 254 H TRP 34 H TRP 34 -9.843 2.881 0.395 255 HA TRP 34 HA TRP 34 -9.235 1.208 -1.823 256 HB2 TRP 34 1HB TRP 34 -8.722 0.545 0.438 257 HB3 TRP 34 2HB TRP 34 -10.428 0.554 0.896 258 HD1 TRP 34 HD TRP 34 -11.921 -1.464 0.062 259 HE1 TRP 34 1HE TRP 34 -11.436 -3.786 -0.847 260 HE3 TRP 34 3HE TRP 34 -6.896 -0.959 -0.751 261 HZ2 TRP 34 2HZ TRP 34 -9.198 -5.134 -2.138 262 HZ3 TRP 34 3HZ TRP 34 -5.610 -2.765 -1.790 263 HH2 TRP 34 HH TRP 34 -6.739 -4.882 -2.502 264 H GLN 35 H GLN 35 -12.366 2.016 -0.362 265 HA GLN 35 HA GLN 35 -14.072 0.398 -2.013 266 HB2 GLN 35 1HB GLN 35 -14.408 3.079 -0.609 267 HB3 GLN 35 2HB GLN 35 -15.758 2.220 -1.347 268 HG2 GLN 35 1HG GLN 35 -14.103 0.698 0.667 269 HG3 GLN 35 2HG GLN 35 -15.083 2.017 1.266 270 HE21 GLN 35 1HE2 GLN 35 -17.377 1.909 1.009 271 HE22 GLN 35 2HE2 GLN 35 -18.030 0.296 1.195 272 H ARG 36 H ARG 36 -12.710 3.704 -2.539 273 HA ARG 36 HA ARG 36 -14.172 4.167 -4.995 274 HB2 ARG 36 1HB ARG 36 -11.734 5.416 -3.652 275 HB3 ARG 36 2HB ARG 36 -12.252 5.899 -5.262 276 HG2 ARG 36 1HG ARG 36 -14.433 6.520 -4.482 277 HG3 ARG 36 2HG ARG 36 -14.145 5.870 -2.874 278 HD2 ARG 36 1HD ARG 36 -12.489 7.513 -2.356 279 HD3 ARG 36 2HD ARG 36 -12.401 8.059 -4.044 280 HE ARG 36 HE ARG 36 -14.255 9.295 -3.845 281 HH11 ARG 36 1HH1 ARG 36 -14.009 7.346 -0.861 282 HH12 ARG 36 2HH1 ARG 36 -15.366 8.176 -0.112 283 HH21 ARG 36 1HH2 ARG 36 -16.019 10.334 -2.783 284 HH22 ARG 36 2HH2 ARG 36 -16.645 9.676 -1.304 285 H PHE 37 H PHE 37 -10.884 2.961 -4.224 286 HA PHE 37 HA PHE 37 -9.919 2.730 -6.815 287 HB2 PHE 37 1HB PHE 37 -8.505 2.448 -4.873 288 HB3 PHE 37 2HB PHE 37 -9.427 1.058 -4.320 289 HD1 PHE 37 2HD PHE 37 -7.501 2.215 -7.341 290 HD2 PHE 37 1HD PHE 37 -8.624 -1.098 -4.803 291 HE1 PHE 37 2HE PHE 37 -6.057 0.690 -8.673 292 HE2 PHE 37 1HE PHE 37 -7.222 -2.619 -6.180 293 HZ PHE 37 HZ PHE 37 -5.989 -1.692 -8.156 294 H CYS 38 H CYS 38 -11.696 0.178 -4.970 295 HA CYS 38 HA CYS 38 -11.640 -1.602 -7.219 296 HB2 CYS 38 1HB CYS 38 -12.170 -2.072 -4.678 297 HB3 CYS 38 2HB CYS 38 -13.851 -1.769 -5.171 298 HG CYS 38 HG CYS 38 -13.362 -4.329 -5.088 299 H ALA 39 H ALA 39 -13.852 1.060 -6.352 300 HA ALA 39 HA ALA 39 -15.905 0.274 -8.235 301 HB1 ALA 39 1HB ALA 39 -16.897 2.444 -7.608 302 HB2 ALA 39 2HB ALA 39 -16.422 1.512 -6.177 303 HB3 ALA 39 3HB ALA 39 -15.422 2.885 -6.725 304 H ASP 40 H ASP 40 -12.877 2.022 -8.574 305 HA ASP 40 HA ASP 40 -13.823 3.183 -11.140 306 HB2 ASP 40 1HB ASP 40 -13.336 4.568 -8.881 307 HB3 ASP 40 2HB ASP 40 -11.733 4.630 -9.579 308 H SER 41 H SER 41 -12.389 0.667 -10.638 309 HA SER 41 HA SER 41 -10.534 0.737 -12.801 310 HB2 SER 41 1HB SER 41 -9.368 0.677 -9.998 311 HB3 SER 41 2HB SER 41 -8.591 -0.187 -11.328 312 HG SER 41 HG SER 41 -9.391 2.512 -11.542 313 H LYS 42 H LYS 42 -11.485 -1.007 -9.825 314 HA LYS 42 HA LYS 42 -11.763 -3.210 -9.380 315 HB2 LYS 42 1HB LYS 42 -13.672 -2.267 -11.008 316 HB3 LYS 42 2HB LYS 42 -13.121 -3.557 -12.055 317 HG2 LYS 42 1HG LYS 42 -13.939 -3.898 -9.128 318 HG3 LYS 42 2HG LYS 42 -15.047 -4.048 -10.480 319 HD2 LYS 42 1HD LYS 42 -13.783 -5.938 -11.396 320 HD3 LYS 42 2HD LYS 42 -12.647 -5.859 -10.038 321 HE2 LYS 42 1HE LYS 42 -15.649 -6.241 -9.719 322 HE3 LYS 42 2HE LYS 42 -14.485 -7.570 -9.791 323 HZ1 LYS 42 3HZ LYS 42 -14.447 -5.421 -7.774 324 HZ2 LYS 42 1HZ LYS 42 -13.390 -6.691 -7.869 325 HZ3 LYS 42 2HZ LYS 42 -14.988 -6.953 -7.531 326 H HIS 43 H HIS 43 -9.133 -2.839 -10.380 327 HA HIS 43 HA HIS 43 -8.466 -4.754 -12.338 328 HB2 HIS 43 1HB HIS 43 -6.264 -4.332 -11.842 329 HB3 HIS 43 2HB HIS 43 -7.046 -2.830 -11.374 330 HD1 HIS 43 1HD HIS 43 -4.202 -3.621 -10.214 331 HD2 HIS 43 2HD HIS 43 -7.931 -4.370 -8.377 332 HE1 HIS 43 1HE HIS 43 -3.765 -3.908 -7.744 333 H LEU 44 H LEU 44 -6.963 -6.688 -11.830 334 HA LEU 44 HA LEU 44 -8.216 -8.578 -10.130 335 HB2 LEU 44 1HB LEU 44 -6.596 -10.086 -10.957 336 HB3 LEU 44 2HB LEU 44 -7.557 -9.390 -12.166 337 HG LEU 44 HG LEU 44 -5.052 -9.918 -12.485 338 HD11 LEU 44 1HD1 LEU 44 -5.906 -7.090 -13.159 339 HD12 LEU 44 2HD1 LEU 44 -6.586 -8.563 -13.870 340 HD13 LEU 44 3HD1 LEU 44 -4.852 -8.191 -14.084 341 HD21 LEU 44 3HD2 LEU 44 -3.473 -8.269 -11.669 342 HD22 LEU 44 1HD2 LEU 44 -4.503 -8.856 -10.312 343 HD23 LEU 44 2HD2 LEU 44 -4.847 -7.288 -11.054 344 H LEU 45 H LEU 45 -7.416 -9.701 -8.372 345 HA LEU 45 HA LEU 45 -5.072 -8.530 -7.003 346 HB2 LEU 45 1HB LEU 45 -7.857 -8.980 -5.884 347 HB3 LEU 45 2HB LEU 45 -6.445 -9.007 -4.840 348 HG LEU 45 HG LEU 45 -7.168 -6.582 -6.569 349 HD11 LEU 45 1HD1 LEU 45 -8.970 -7.072 -4.970 350 HD12 LEU 45 2HD1 LEU 45 -8.089 -5.598 -4.542 351 HD13 LEU 45 3HD1 LEU 45 -7.799 -7.114 -3.639 352 HD21 LEU 45 3HD2 LEU 45 -4.807 -6.638 -5.874 353 HD22 LEU 45 1HD2 LEU 45 -5.278 -6.954 -4.186 354 HD23 LEU 45 2HD2 LEU 45 -5.676 -5.403 -4.972 355 H GLN 46 H GLN 46 -3.722 -10.152 -6.406 356 HA GLN 46 HA GLN 46 -4.689 -12.965 -6.585 357 HB2 GLN 46 1HB GLN 46 -3.144 -13.476 -8.190 358 HB3 GLN 46 2HB GLN 46 -3.756 -11.927 -8.705 359 HG2 GLN 46 1HG GLN 46 -1.527 -11.215 -7.176 360 HG3 GLN 46 2HG GLN 46 -1.074 -12.789 -7.798 361 HE21 GLN 46 1HE2 GLN 46 -2.285 -9.598 -8.665 362 HE22 GLN 46 2HE2 GLN 46 -1.581 -9.501 -10.261 363 H TYR 47 H TYR 47 -3.054 -14.547 -5.860 364 HA TYR 47 HA TYR 47 -2.521 -13.920 -3.139 365 HB2 TYR 47 1HB TYR 47 -1.478 -16.390 -4.531 366 HB3 TYR 47 2HB TYR 47 -1.986 -16.186 -2.864 367 HD1 TYR 47 2HD TYR 47 -4.624 -14.870 -3.119 368 HD2 TYR 47 1HD TYR 47 -2.902 -18.156 -5.313 369 HE1 TYR 47 2HE TYR 47 -6.871 -15.568 -3.808 370 HE2 TYR 47 1HE TYR 47 -5.176 -18.881 -5.990 371 HH TYR 47 HH TYR 47 -7.499 -18.504 -5.714 372 H GLY 48 H GLY 48 -0.945 -12.682 -2.542 373 HA2 GLY 48 1HA GLY 48 1.540 -12.550 -2.211 374 HA3 GLY 48 2HA GLY 48 1.733 -12.862 -3.898 375 H ASP 49 H ASP 49 -0.906 -10.654 -3.721 376 HA ASP 49 HA ASP 49 0.744 -8.750 -5.118 377 HB2 ASP 49 1HB ASP 49 -2.135 -9.211 -4.540 378 HB3 ASP 49 2HB ASP 49 -1.726 -7.546 -4.669 379 H LYS 50 H LYS 50 0.340 -9.062 -1.939 380 HA LYS 50 HA LYS 50 1.022 -8.043 -0.070 381 HB2 LYS 50 1HB LYS 50 3.065 -7.945 -1.757 382 HB3 LYS 50 2HB LYS 50 2.786 -6.199 -1.642 383 HG2 LYS 50 1HG LYS 50 2.976 -6.482 0.935 384 HG3 LYS 50 2HG LYS 50 3.548 -8.111 0.608 385 HD2 LYS 50 1HD LYS 50 4.775 -5.610 -0.641 386 HD3 LYS 50 2HD LYS 50 5.340 -6.288 0.882 387 HE2 LYS 50 1HE LYS 50 6.295 -8.158 -0.079 388 HE3 LYS 50 2HE LYS 50 5.150 -8.179 -1.428 389 HZ1 LYS 50 3HZ LYS 50 7.331 -7.508 -2.210 390 HZ2 LYS 50 1HZ LYS 50 7.406 -6.263 -1.163 391 HZ3 LYS 50 2HZ LYS 50 6.270 -6.300 -2.377 392 H LEU 51 H LEU 51 0.122 -6.655 1.260 393 HA LEU 51 HA LEU 51 -0.294 -3.820 0.465 394 HB2 LEU 51 1HB LEU 51 -1.994 -5.655 2.170 395 HB3 LEU 51 2HB LEU 51 -1.839 -3.983 2.684 396 HG LEU 51 HG LEU 51 -2.698 -4.722 -0.143 397 HD11 LEU 51 1HD1 LEU 51 -4.533 -4.188 2.232 398 HD12 LEU 51 2HD1 LEU 51 -4.267 -5.768 1.488 399 HD13 LEU 51 3HD1 LEU 51 -5.031 -4.479 0.549 400 HD21 LEU 51 3HD2 LEU 51 -3.202 -2.235 1.551 401 HD22 LEU 51 1HD2 LEU 51 -3.712 -2.479 -0.127 402 HD23 LEU 51 2HD2 LEU 51 -1.988 -2.357 0.260 403 H VAL 52 H VAL 52 0.464 -2.325 1.924 404 HA VAL 52 HA VAL 52 1.677 -3.212 4.452 405 HB VAL 52 HB VAL 52 2.945 -1.504 2.276 406 HG11 VAL 52 1HG1 VAL 52 4.685 -0.789 3.703 407 HG12 VAL 52 2HG1 VAL 52 3.209 -0.475 4.637 408 HG13 VAL 52 3HG1 VAL 52 4.216 -1.867 5.010 409 HG21 VAL 52 3HG2 VAL 52 4.864 -3.047 2.660 410 HG22 VAL 52 1HG2 VAL 52 3.923 -3.902 3.888 411 HG23 VAL 52 2HG2 VAL 52 3.425 -3.949 2.173 412 H ASP 53 H ASP 53 1.388 -1.624 5.996 413 HA ASP 53 HA ASP 53 -0.748 0.331 5.658 414 HB2 ASP 53 1HB ASP 53 -1.838 -0.614 7.494 415 HB3 ASP 53 2HB ASP 53 -1.319 -2.016 6.608 416 H SER 54 H SER 54 -0.913 1.546 7.782 417 HA SER 54 HA SER 54 1.363 3.212 8.106 418 HB2 SER 54 1HB SER 54 0.149 4.340 9.699 419 HB3 SER 54 2HB SER 54 -1.094 3.671 8.627 420 HG SER 54 HG SER 54 -0.534 3.170 11.284 421 H ASN 55 H ASN 55 0.392 0.420 9.960 422 HA ASN 55 HA ASN 55 2.368 0.761 12.086 423 HB2 ASN 55 1HB ASN 55 0.283 -1.341 11.455 424 HB3 ASN 55 2HB ASN 55 1.498 -1.631 12.685 425 HD21 ASN 55 1HD2 ASN 55 -0.771 -1.835 13.776 426 HD22 ASN 55 2HD2 ASN 55 -1.300 -0.404 14.625 427 H PHE 56 H PHE 56 2.800 -0.394 8.950 428 HA PHE 56 HA PHE 56 4.481 -1.521 7.919 429 HB2 PHE 56 1HB PHE 56 5.962 -1.284 10.560 430 HB3 PHE 56 2HB PHE 56 6.619 -1.969 9.130 431 HD1 PHE 56 2HD PHE 56 4.825 1.239 10.049 432 HD2 PHE 56 1HD PHE 56 8.022 -0.649 7.837 433 HE1 PHE 56 2HE PHE 56 5.490 3.417 9.208 434 HE2 PHE 56 1HE PHE 56 8.740 1.598 7.041 435 HZ PHE 56 HZ PHE 56 7.447 3.683 7.735 436 H HIS 57 H HIS 57 2.231 -2.915 9.415 437 HA HIS 57 HA HIS 57 3.185 -5.700 9.733 438 HB2 HIS 57 1HB HIS 57 0.453 -4.441 9.431 439 HB3 HIS 57 2HB HIS 57 0.780 -6.171 9.627 440 HD1 HIS 57 1HD HIS 57 -0.741 -3.961 11.662 441 HD2 HIS 57 2HD HIS 57 2.972 -5.944 12.008 442 HE1 HIS 57 1HE HIS 57 -0.292 -4.264 14.190 443 H CYS 58 H CYS 58 4.114 -6.520 7.747 444 HA CYS 58 HA CYS 58 3.022 -5.677 5.180 445 HB2 CYS 58 1HB CYS 58 5.334 -7.054 6.000 446 HB3 CYS 58 2HB CYS 58 4.339 -8.318 5.277 447 HG CYS 58 HG CYS 58 6.180 -7.254 3.655 448 H PHE 59 H PHE 59 1.478 -6.834 3.938 449 HA PHE 59 HA PHE 59 0.203 -9.222 5.159 450 HB2 PHE 59 1HB PHE 59 -1.217 -6.848 3.888 451 HB3 PHE 59 2HB PHE 59 -1.985 -8.366 4.334 452 HD1 PHE 59 2HD PHE 59 -1.985 -9.086 6.780 453 HD2 PHE 59 1HD PHE 59 -0.958 -5.100 5.500 454 HE1 PHE 59 2HE PHE 59 -2.187 -8.289 9.104 455 HE2 PHE 59 1HE PHE 59 -1.233 -4.285 7.809 456 HZ PHE 59 HZ PHE 59 -1.714 -5.859 9.641 457 H VAL 60 H VAL 60 -0.561 -10.687 3.585 458 HA VAL 60 HA VAL 60 -0.176 -10.126 0.733 459 HB VAL 60 HB VAL 60 1.055 -12.382 2.370 460 HG11 VAL 60 1HG1 VAL 60 1.694 -13.272 -0.004 461 HG12 VAL 60 2HG1 VAL 60 0.088 -13.620 0.638 462 HG13 VAL 60 3HG1 VAL 60 0.292 -12.321 -0.547 463 HG21 VAL 60 3HG2 VAL 60 3.090 -11.772 1.121 464 HG22 VAL 60 1HG2 VAL 60 2.204 -10.477 0.278 465 HG23 VAL 60 2HG2 VAL 60 2.472 -10.389 2.032 466 H LEU 61 H LEU 61 -1.738 -11.076 -0.462 467 HA LEU 61 HA LEU 61 -4.182 -12.038 0.771 468 HB2 LEU 61 1HB LEU 61 -3.967 -10.607 -1.420 469 HB3 LEU 61 2HB LEU 61 -3.253 -12.022 -2.130 470 HG LEU 61 HG LEU 61 -5.356 -13.304 -1.656 471 HD11 LEU 61 1HD1 LEU 61 -7.401 -12.157 -1.066 472 HD12 LEU 61 2HD1 LEU 61 -6.593 -10.579 -1.072 473 HD13 LEU 61 3HD1 LEU 61 -6.246 -11.776 0.190 474 HD21 LEU 61 3HD2 LEU 61 -6.665 -12.108 -3.463 475 HD22 LEU 61 1HD2 LEU 61 -4.975 -12.471 -3.822 476 HD23 LEU 61 2HD2 LEU 61 -5.435 -10.814 -3.389 477 H GLU 62 H GLU 62 -4.833 -14.224 0.864 478 HA GLU 62 HA GLU 62 -2.837 -16.266 0.066 479 HB2 GLU 62 1HB GLU 62 -4.972 -16.446 2.111 480 HB3 GLU 62 2HB GLU 62 -3.858 -17.733 1.633 481 HG2 GLU 62 1HG GLU 62 -2.359 -15.266 2.224 482 HG3 GLU 62 2HG GLU 62 -3.443 -15.607 3.439 483 H GLU 63 H GLU 63 -3.957 -18.456 -0.558 484 HA GLU 63 HA GLU 63 -5.705 -18.124 -2.734 485 HB2 GLU 63 1HB GLU 63 -5.446 -20.738 -1.259 486 HB3 GLU 63 2HB GLU 63 -5.778 -20.430 -2.949 487 HG2 GLU 63 1HG GLU 63 -3.603 -21.243 -2.953 488 HG3 GLU 63 2HG GLU 63 -3.395 -19.507 -3.148 489 H ASP 64 H ASP 64 -6.289 -18.955 0.647 490 HA ASP 64 HA ASP 64 -9.120 -19.383 0.371 491 HB2 ASP 64 1HB ASP 64 -7.565 -20.265 2.159 492 HB3 ASP 64 2HB ASP 64 -7.634 -18.678 2.918 493 H ALA 65 H ALA 65 -7.641 -16.656 -0.281 494 HA ALA 65 HA ALA 65 -8.419 -14.695 -0.881 495 HB1 ALA 65 1HB ALA 65 -11.123 -15.552 0.199 496 HB2 ALA 65 2HB ALA 65 -10.799 -14.299 -1.003 497 HB3 ALA 65 3HB ALA 65 -10.485 -16.004 -1.384 498 H HIS 66 H HIS 66 -7.845 -15.327 2.158 499 HA HIS 66 HA HIS 66 -8.703 -12.715 3.271 500 HB2 HIS 66 1HB HIS 66 -7.857 -13.591 5.402 501 HB3 HIS 66 2HB HIS 66 -9.165 -14.532 4.717 502 HD1 HIS 66 1HD HIS 66 -8.689 -17.018 5.376 503 HD2 HIS 66 2HD HIS 66 -5.316 -14.856 4.034 504 HE1 HIS 66 1HE HIS 66 -6.723 -18.604 5.536 505 H TRP 67 H TRP 67 -6.960 -11.553 4.526 506 HA TRP 67 HA TRP 67 -4.444 -11.460 2.919 507 HB2 TRP 67 1HB TRP 67 -6.013 -9.364 4.438 508 HB3 TRP 67 2HB TRP 67 -4.297 -9.179 4.112 509 HD1 TRP 67 HD TRP 67 -7.650 -9.269 2.257 510 HE1 TRP 67 1HE TRP 67 -7.324 -8.275 -0.083 511 HE3 TRP 67 3HE TRP 67 -2.571 -8.919 2.212 512 HZ2 TRP 67 2HZ TRP 67 -5.160 -7.209 -1.676 513 HZ3 TRP 67 3HZ TRP 67 -1.395 -7.975 0.271 514 HH2 TRP 67 HH TRP 67 -2.666 -7.007 -1.648 515 H HIS 68 H HIS 68 -3.085 -12.880 3.975 516 HA HIS 68 HA HIS 68 -3.235 -13.260 6.853 517 HB2 HIS 68 1HB HIS 68 -2.672 -15.113 5.404 518 HB3 HIS 68 2HB HIS 68 -1.286 -14.239 4.724 519 HD1 HIS 68 1HD HIS 68 0.963 -14.328 6.212 520 HD2 HIS 68 2HD HIS 68 -2.461 -16.153 7.854 521 HE1 HIS 68 1HE HIS 68 1.722 -15.443 8.335 522 HA PRO 69 HA PRO 69 -0.183 -10.011 7.805 523 HB2 PRO 69 1HB PRO 69 0.626 -10.844 10.275 524 HB3 PRO 69 2HB PRO 69 -0.961 -10.081 9.967 525 HG2 PRO 69 1HG PRO 69 -0.345 -13.050 10.138 526 HG3 PRO 69 2HG PRO 69 -1.640 -12.144 10.980 527 HD2 PRO 69 1HD PRO 69 -2.147 -13.479 8.718 528 HD3 PRO 69 2HD PRO 69 -2.872 -11.870 8.977 529 H ALA 70 H ALA 70 1.528 -10.152 6.503 530 HA ALA 70 HA ALA 70 3.263 -12.523 6.366 531 HB1 ALA 70 1HB ALA 70 3.098 -9.970 4.715 532 HB2 ALA 70 2HB ALA 70 4.158 -11.357 4.375 533 HB3 ALA 70 3HB ALA 70 2.396 -11.548 4.308 534 H ALA 71 H ALA 71 3.371 -11.090 8.829 535 HA ALA 71 HA ALA 71 4.780 -10.442 10.401 536 HB1 ALA 71 1HB ALA 71 6.177 -12.212 9.312 537 HB2 ALA 71 2HB ALA 71 7.059 -10.929 8.453 538 HB3 ALA 71 3HB ALA 71 7.113 -11.027 10.216 539 HA PRO 72 HA PRO 72 5.497 -6.187 9.891 540 HB2 PRO 72 1HB PRO 72 7.502 -5.416 11.578 541 HB3 PRO 72 2HB PRO 72 5.875 -5.926 12.139 542 HG2 PRO 72 1HG PRO 72 8.390 -7.619 11.926 543 HG3 PRO 72 2HG PRO 72 7.266 -7.487 13.320 544 HD2 PRO 72 1HD PRO 72 7.046 -9.528 11.576 545 HD3 PRO 72 2HD PRO 72 5.579 -8.722 12.181 546 H LEU 73 H LEU 73 7.122 -4.383 9.501 547 HA LEU 73 HA LEU 73 9.126 -5.150 7.484 548 HB2 LEU 73 1HB LEU 73 6.804 -4.709 6.723 549 HB3 LEU 73 2HB LEU 73 6.896 -3.095 7.351 550 HG LEU 73 HG LEU 73 9.042 -3.912 5.441 551 HD11 LEU 73 1HD1 LEU 73 6.233 -3.129 4.578 552 HD12 LEU 73 2HD1 LEU 73 7.004 -4.695 4.251 553 HD13 LEU 73 3HD1 LEU 73 7.647 -3.211 3.501 554 HD21 LEU 73 3HD2 LEU 73 7.547 -1.376 5.835 555 HD22 LEU 73 1HD2 LEU 73 8.947 -1.696 4.788 556 HD23 LEU 73 2HD2 LEU 73 9.121 -1.926 6.527 557 HA PRO 74 HA PRO 74 11.515 -2.153 9.827 558 HB2 PRO 74 1HB PRO 74 13.824 -2.100 8.358 559 HB3 PRO 74 2HB PRO 74 13.268 -3.551 9.224 560 HG2 PRO 74 1HG PRO 74 13.045 -2.943 6.294 561 HG3 PRO 74 2HG PRO 74 13.467 -4.484 7.088 562 HD2 PRO 74 1HD PRO 74 10.923 -3.759 6.177 563 HD3 PRO 74 2HD PRO 74 11.234 -5.026 7.377 564 HA PRO 75 HA PRO 75 11.106 1.928 8.152 565 HB2 PRO 75 1HB PRO 75 13.581 3.150 8.662 566 HB3 PRO 75 2HB PRO 75 12.237 2.965 9.816 567 HG2 PRO 75 1HG PRO 75 14.686 1.220 9.473 568 HG3 PRO 75 2HG PRO 75 13.946 1.801 10.998 569 HD2 PRO 75 1HD PRO 75 13.487 -0.696 10.111 570 HD3 PRO 75 2HD PRO 75 12.146 0.256 10.809 571 H GLU 76 H GLU 76 13.749 -0.010 6.993 572 HA GLU 76 HA GLU 76 14.211 1.748 4.648 573 HB2 GLU 76 1HB GLU 76 15.665 -0.836 5.318 574 HB3 GLU 76 2HB GLU 76 16.207 0.531 4.321 575 HG2 GLU 76 1HG GLU 76 15.931 1.894 6.510 576 HG3 GLU 76 2HG GLU 76 15.928 0.341 7.335 577 H GLY 77 H GLY 77 12.481 -1.068 5.543 578 HA2 GLY 77 1HA GLY 77 12.382 -2.510 3.023 579 HA3 GLY 77 2HA GLY 77 11.206 -2.604 4.336 580 H LEU 78 H LEU 78 10.467 0.093 4.520 581 HA LEU 78 HA LEU 78 8.448 0.316 2.550 582 HB2 LEU 78 1HB LEU 78 8.250 1.384 4.721 583 HB3 LEU 78 2HB LEU 78 9.710 2.346 4.447 584 HG LEU 78 HG LEU 78 8.567 3.571 2.601 585 HD11 LEU 78 1HD1 LEU 78 6.890 1.930 1.861 586 HD12 LEU 78 2HD1 LEU 78 6.046 3.368 2.459 587 HD13 LEU 78 3HD1 LEU 78 6.161 1.919 3.475 588 HD21 LEU 78 3HD2 LEU 78 8.565 4.407 4.903 589 HD22 LEU 78 1HD2 LEU 78 7.048 3.545 5.234 590 HD23 LEU 78 2HD2 LEU 78 7.054 4.844 4.025 591 H ASN 79 H ASN 79 11.482 2.211 2.968 592 HA ASN 79 HA ASN 79 11.384 3.653 0.646 593 HB2 ASN 79 1HB ASN 79 13.829 2.641 2.160 594 HB3 ASN 79 2HB ASN 79 13.828 3.958 0.989 595 HD21 ASN 79 1HD2 ASN 79 14.416 5.743 2.472 596 HD22 ASN 79 2HD2 ASN 79 13.309 6.149 3.731 597 H ASP 80 H ASP 80 12.135 0.229 0.889 598 HA ASP 80 HA ASP 80 13.407 0.050 -1.752 599 HB2 ASP 80 1HB ASP 80 13.938 -1.588 -0.001 600 HB3 ASP 80 2HB ASP 80 12.249 -2.108 0.054 601 H LEU 81 H LEU 81 10.168 -0.687 -0.315 602 HA LEU 81 HA LEU 81 8.886 -1.434 -2.750 603 HB2 LEU 81 1HB LEU 81 7.877 -0.205 -0.156 604 HB3 LEU 81 2HB LEU 81 6.795 -0.455 -1.511 605 HG LEU 81 HG LEU 81 8.385 -2.690 -0.189 606 HD11 LEU 81 1HD1 LEU 81 6.181 -3.305 0.793 607 HD12 LEU 81 2HD1 LEU 81 5.469 -1.834 0.119 608 HD13 LEU 81 3HD1 LEU 81 6.736 -1.716 1.357 609 HD21 LEU 81 3HD2 LEU 81 6.135 -2.680 -2.261 610 HD22 LEU 81 1HD2 LEU 81 6.681 -4.117 -1.384 611 HD23 LEU 81 2HD2 LEU 81 7.798 -3.301 -2.475 612 H ILE 82 H ILE 82 8.995 1.734 -1.112 613 HA ILE 82 HA ILE 82 7.585 3.208 -3.059 614 HB ILE 82 HB ILE 82 9.665 4.000 -0.999 615 HG12 ILE 82 1HG1 ILE 82 7.496 3.021 -0.162 616 HG13 ILE 82 2HG1 ILE 82 7.868 4.627 0.417 617 HG21 ILE 82 1HG2 ILE 82 8.840 6.337 -1.191 618 HG22 ILE 82 2HG2 ILE 82 9.688 5.782 -2.619 619 HG23 ILE 82 3HG2 ILE 82 7.927 5.880 -2.648 620 HD11 ILE 82 3HD1 ILE 82 6.211 5.604 -1.143 621 HD12 ILE 82 1HD1 ILE 82 5.874 3.981 -1.795 622 HD13 ILE 82 2HD1 ILE 82 5.496 4.374 -0.107 623 H ARG 83 H ARG 83 11.101 2.312 -2.982 624 HA ARG 83 HA ARG 83 11.995 3.961 -5.001 625 HB2 ARG 83 1HB ARG 83 13.025 1.740 -3.602 626 HB3 ARG 83 2HB ARG 83 12.905 1.133 -5.243 627 HG2 ARG 83 1HG ARG 83 14.012 3.654 -5.613 628 HG3 ARG 83 2HG ARG 83 14.684 3.161 -4.053 629 HD2 ARG 83 1HD ARG 83 15.409 0.988 -5.217 630 HD3 ARG 83 2HD ARG 83 14.935 1.761 -6.741 631 HE ARG 83 HE ARG 83 16.774 3.295 -5.026 632 HH11 ARG 83 1HH1 ARG 83 16.565 1.171 -7.902 633 HH12 ARG 83 2HH1 ARG 83 18.212 1.454 -8.334 634 HH21 ARG 83 1HH2 ARG 83 18.970 3.546 -5.591 635 HH22 ARG 83 2HH2 ARG 83 19.535 2.893 -7.085 636 H ALA 84 H ALA 84 9.861 1.118 -5.301 637 HA ALA 84 HA ALA 84 10.335 0.691 -8.056 638 HB1 ALA 84 1HB ALA 84 7.741 0.080 -6.580 639 HB2 ALA 84 2HB ALA 84 8.467 -0.791 -7.957 640 HB3 ALA 84 3HB ALA 84 9.216 -0.878 -6.375 641 H HIS 85 H HIS 85 7.682 2.494 -6.447 642 HA HIS 85 HA HIS 85 6.530 3.516 -8.847 643 HB2 HIS 85 1HB HIS 85 5.410 3.343 -6.662 644 HB3 HIS 85 2HB HIS 85 6.409 4.646 -6.031 645 HD1 HIS 85 1HD HIS 85 2.985 4.185 -7.516 646 HD2 HIS 85 2HD HIS 85 6.035 7.122 -7.398 647 HE1 HIS 85 1HE HIS 85 1.901 6.344 -8.074 648 H CYS 86 H CYS 86 9.116 4.807 -6.668 649 HA CYS 86 HA CYS 86 9.184 7.341 -8.020 650 HB2 CYS 86 1HB CYS 86 11.306 5.974 -6.296 651 HB3 CYS 86 2HB CYS 86 11.305 7.678 -6.788 652 HG CYS 86 HG CYS 86 9.222 5.985 -4.874 653 H ALA 87 H ALA 87 11.068 4.296 -8.472 654 HA ALA 87 HA ALA 87 12.846 5.516 -10.381 655 HB1 ALA 87 1HB ALA 87 12.254 2.590 -9.760 656 HB2 ALA 87 2HB ALA 87 13.589 3.197 -10.748 657 HB3 ALA 87 3HB ALA 87 13.529 3.588 -9.017 658 H THR 88 H THR 88 9.678 3.827 -10.660 659 HA THR 88 HA THR 88 10.022 3.423 -13.500 660 HB THR 88 HB THR 88 8.451 2.120 -12.108 661 HG1 THR 88 1HG THR 88 7.186 3.392 -14.298 662 HG21 THR 88 3HG2 THR 88 7.294 3.842 -10.835 663 HG22 THR 88 1HG2 THR 88 6.166 2.842 -11.749 664 HG23 THR 88 2HG2 THR 88 6.548 4.472 -12.323 665 H LEU 89 H LEU 89 8.773 6.094 -11.434 666 HA LEU 89 HA LEU 89 7.945 7.641 -13.759 667 HB2 LEU 89 1HB LEU 89 8.017 8.287 -10.778 668 HB3 LEU 89 2HB LEU 89 7.340 9.332 -12.035 669 HG LEU 89 HG LEU 89 6.380 6.518 -11.392 670 HD11 LEU 89 1HD1 LEU 89 4.395 7.548 -10.495 671 HD12 LEU 89 2HD1 LEU 89 5.059 9.174 -10.810 672 HD13 LEU 89 3HD1 LEU 89 5.843 8.066 -9.643 673 HD21 LEU 89 3HD2 LEU 89 5.899 6.965 -13.754 674 HD22 LEU 89 1HD2 LEU 89 5.279 8.586 -13.355 675 HD23 LEU 89 2HD2 LEU 89 4.409 7.132 -12.838 676 H GLY 90 H GLY 90 10.233 8.480 -11.090 677 HA2 GLY 90 1HA GLY 90 12.584 8.560 -12.275 678 HA3 GLY 90 2HA GLY 90 11.878 9.990 -13.033 679 H HIS 91 H HIS 91 11.518 8.877 -9.615 680 HA HIS 91 HA HIS 91 12.391 11.603 -8.780 681 HB2 HIS 91 1HB HIS 91 10.086 10.015 -8.249 682 HB3 HIS 91 2HB HIS 91 10.906 10.125 -6.751 683 HD1 HIS 91 1HD HIS 91 11.897 13.295 -7.012 684 HD2 HIS 91 2HD HIS 91 8.114 11.593 -7.804 685 HE1 HIS 91 1HE HIS 91 10.226 15.151 -6.750 686 H CYS 92 H CYS 92 13.534 11.851 -6.662 687 HA CYS 92 HA CYS 92 15.308 9.600 -5.988 688 HB2 CYS 92 1HB CYS 92 17.299 10.972 -6.581 689 HB3 CYS 92 2HB CYS 92 16.312 10.487 -7.962 690 HG CYS 92 HG CYS 92 14.907 12.799 -7.947 691 H CYS 93 H CYS 93 13.363 10.945 -4.413 692 HA CYS 93 HA CYS 93 12.831 11.779 -2.506 693 HB2 CYS 93 1HB CYS 93 14.042 11.534 -0.583 694 HB3 CYS 93 2HB CYS 93 14.529 10.200 -1.636 695 HG CYS 93 HG CYS 93 16.627 11.725 -2.558 696 H THR 94 H THR 94 13.324 13.818 -0.904 697 HA THR 94 HA THR 94 14.426 16.015 -2.588 698 HB THR 94 HB THR 94 12.626 17.423 -2.072 699 HG1 THR 94 1HG THR 94 11.184 17.083 -0.609 700 HG21 THR 94 3HG2 THR 94 11.267 14.774 -2.741 701 HG22 THR 94 1HG2 THR 94 12.193 15.719 -3.918 702 HG23 THR 94 2HG2 THR 94 10.746 16.413 -3.177 703 H SER 95 H SER 95 13.333 15.350 0.787 704 HA SER 95 HA SER 95 15.860 16.505 1.775 705 HB2 SER 95 1HB SER 95 14.138 18.372 1.324 706 HB3 SER 95 2HB SER 95 13.246 17.699 2.696 707 HG SER 95 HG SER 95 15.204 17.996 3.914 708 H LYS 96 H LYS 96 14.263 13.873 1.918 709 HA LYS 96 HA LYS 96 14.982 13.420 4.729 710 HB2 LYS 96 1HB LYS 96 12.250 13.442 3.553 711 HB3 LYS 96 2HB LYS 96 12.602 11.965 4.459 712 HG2 LYS 96 1HG LYS 96 12.014 13.084 6.315 713 HG3 LYS 96 2HG LYS 96 13.559 13.898 6.200 714 HD2 LYS 96 1HD LYS 96 12.087 15.687 6.387 715 HD3 LYS 96 2HD LYS 96 12.279 15.605 4.626 716 HE2 LYS 96 1HE LYS 96 10.234 14.109 4.545 717 HE3 LYS 96 2HE LYS 96 10.083 14.316 6.288 718 HZ1 LYS 96 3HZ LYS 96 9.669 16.650 5.974 719 HZ2 LYS 96 1HZ LYS 96 8.624 15.785 5.077 720 HZ3 LYS 96 2HZ LYS 96 9.895 16.534 4.337 721 H MET 97 H MET 97 14.527 10.932 5.098 722 HA MET 97 HA MET 97 16.263 9.468 3.282 723 HB2 MET 97 1HB MET 97 14.647 8.478 5.694 724 HB3 MET 97 2HB MET 97 15.996 7.694 4.931 725 HG2 MET 97 1HG MET 97 17.388 8.723 6.339 726 HG3 MET 97 2HG MET 97 16.915 10.291 5.720 727 HE1 MET 97 3HE MET 97 13.723 10.873 8.303 728 HE2 MET 97 1HE MET 97 14.506 11.604 6.890 729 HE3 MET 97 2HE MET 97 13.621 10.058 6.738 730 H HIS 98 H HIS 98 14.881 9.697 1.384 731 HA HIS 98 HA HIS 98 13.098 9.489 0.028 732 HB2 HIS 98 1HB HIS 98 13.205 6.971 1.244 733 HB3 HIS 98 2HB HIS 98 11.508 7.395 1.212 734 HD1 HIS 98 1HD HIS 98 13.513 5.259 -0.574 735 HD2 HIS 98 2HD HIS 98 11.359 8.683 -1.742 736 HE1 HIS 98 1HE HIS 98 12.976 4.959 -3.032 737 H LEU 99 H LEU 99 11.817 8.876 3.369 738 HA LEU 99 HA LEU 99 9.588 10.852 3.059 739 HB2 LEU 99 1HB LEU 99 9.510 7.854 3.461 740 HB3 LEU 99 2HB LEU 99 8.131 8.928 3.727 741 HG LEU 99 HG LEU 99 9.510 8.645 1.024 742 HD11 LEU 99 1HD1 LEU 99 8.658 6.511 1.577 743 HD12 LEU 99 2HD1 LEU 99 7.477 7.260 0.487 744 HD13 LEU 99 3HD1 LEU 99 7.162 7.179 2.240 745 HD21 LEU 99 3HD2 LEU 99 8.353 10.738 1.180 746 HD22 LEU 99 1HD2 LEU 99 6.930 9.981 1.947 747 HD23 LEU 99 2HD2 LEU 99 7.337 9.648 0.247 748 H HIS 100 H HIS 100 8.358 10.977 5.012 749 HA HIS 100 HA HIS 100 9.954 10.757 7.497 750 HB2 HIS 100 1HB HIS 100 9.178 12.905 6.953 751 HB3 HIS 100 2HB HIS 100 7.539 12.353 6.643 752 HD1 HIS 100 1HD HIS 100 5.929 12.699 8.581 753 HD2 HIS 100 2HD HIS 100 9.992 12.516 9.702 754 HE1 HIS 100 1HE HIS 100 6.003 13.137 11.110 755 H SER 101 H SER 101 7.134 9.439 5.898 756 HA SER 101 HA SER 101 6.416 7.481 7.862 757 HB2 SER 101 1HB SER 101 5.014 10.185 7.982 758 HB3 SER 101 2HB SER 101 4.060 8.739 8.293 759 HG SER 101 HG SER 101 6.531 9.271 9.559 760 H VAL 102 H VAL 102 4.099 6.513 7.384 761 HA VAL 102 HA VAL 102 3.953 6.031 4.554 762 HB VAL 102 HB VAL 102 1.904 5.403 6.725 763 HG11 VAL 102 1HG1 VAL 102 2.398 4.138 4.007 764 HG12 VAL 102 2HG1 VAL 102 1.168 3.628 5.199 765 HG13 VAL 102 3HG1 VAL 102 1.045 5.193 4.388 766 HG21 VAL 102 3HG2 VAL 102 3.026 3.133 6.720 767 HG22 VAL 102 1HG2 VAL 102 4.350 3.848 5.785 768 HG23 VAL 102 2HG2 VAL 102 3.995 4.409 7.433 769 H MET 103 H MET 103 1.901 7.959 6.863 770 HA MET 103 HA MET 103 0.093 8.939 5.033 771 HB2 MET 103 1HB MET 103 0.117 9.276 7.556 772 HB3 MET 103 2HB MET 103 1.294 10.575 7.315 773 HG2 MET 103 1HG MET 103 -0.925 11.528 7.502 774 HG3 MET 103 2HG MET 103 -0.359 11.736 5.854 775 HE1 MET 103 3HE MET 103 -2.268 8.908 7.970 776 HE2 MET 103 1HE MET 103 -3.219 10.412 8.098 777 HE3 MET 103 2HE MET 103 -3.856 9.035 7.177 778 H ASP 104 H ASP 104 3.350 10.226 5.687 779 HA ASP 104 HA ASP 104 3.103 12.496 3.959 780 HB2 ASP 104 1HB ASP 104 5.498 11.010 5.098 781 HB3 ASP 104 2HB ASP 104 5.674 12.364 3.978 782 H ALA 105 H ALA 105 3.959 9.121 3.413 783 HA ALA 105 HA ALA 105 4.970 9.369 0.732 784 HB1 ALA 105 1HB ALA 105 5.035 7.332 2.446 785 HB2 ALA 105 2HB ALA 105 3.475 6.925 1.746 786 HB3 ALA 105 3HB ALA 105 4.890 7.017 0.693 787 H ILE 106 H ILE 106 1.739 8.691 2.140 788 HA ILE 106 HA ILE 106 0.311 8.480 -0.320 789 HB ILE 106 HB ILE 106 -0.559 9.424 2.438 790 HG12 ILE 106 1HG1 ILE 106 0.214 7.110 2.463 791 HG13 ILE 106 2HG1 ILE 106 -1.509 7.244 2.717 792 HG21 ILE 106 1HG2 ILE 106 -2.368 8.752 0.094 793 HG22 ILE 106 2HG2 ILE 106 -2.880 8.899 1.805 794 HG23 ILE 106 3HG2 ILE 106 -2.217 10.286 0.954 795 HD11 ILE 106 3HD1 ILE 106 -0.198 6.372 0.156 796 HD12 ILE 106 1HD1 ILE 106 -1.010 5.340 1.340 797 HD13 ILE 106 2HD1 ILE 106 -1.961 6.525 0.426 798 H ASP 107 H ASP 107 1.345 11.353 1.555 799 HA ASP 107 HA ASP 107 -0.096 13.196 -0.174 800 HB2 ASP 107 1HB ASP 107 0.942 13.502 2.263 801 HB3 ASP 107 2HB ASP 107 2.318 14.082 1.342 802 H PHE 108 H PHE 108 3.268 12.110 -0.018 803 HA PHE 108 HA PHE 108 4.388 13.627 -2.093 804 HB2 PHE 108 1HB PHE 108 5.770 12.312 -0.566 805 HB3 PHE 108 2HB PHE 108 4.996 10.829 -1.058 806 HD1 PHE 108 1HD PHE 108 7.374 13.469 -2.206 807 HD2 PHE 108 2HD PHE 108 5.660 9.596 -3.014 808 HE1 PHE 108 1HE PHE 108 9.098 13.063 -3.907 809 HE2 PHE 108 2HE PHE 108 7.386 9.199 -4.751 810 HZ PHE 108 HZ PHE 108 9.161 10.887 -5.127 811 H LEU 109 H LEU 109 2.996 10.353 -2.322 812 HA LEU 109 HA LEU 109 3.541 9.983 -5.106 813 HB2 LEU 109 1HB LEU 109 1.414 8.731 -3.310 814 HB3 LEU 109 2HB LEU 109 1.849 8.120 -4.903 815 HG LEU 109 HG LEU 109 3.869 8.311 -2.623 816 HD11 LEU 109 1HD1 LEU 109 2.046 6.856 -1.920 817 HD12 LEU 109 2HD1 LEU 109 3.504 5.910 -2.264 818 HD13 LEU 109 3HD1 LEU 109 2.161 5.935 -3.439 819 HD21 LEU 109 3HD2 LEU 109 3.885 6.627 -5.121 820 HD22 LEU 109 1HD2 LEU 109 5.183 6.762 -3.908 821 HD23 LEU 109 2HD2 LEU 109 4.776 8.149 -4.936 822 H ASN 110 H ASN 110 0.857 11.372 -3.413 823 HA ASN 110 HA ASN 110 -0.941 11.432 -5.661 824 HB2 ASN 110 1HB ASN 110 -1.310 11.511 -3.049 825 HB3 ASN 110 2HB ASN 110 -1.173 13.255 -3.241 826 HD21 ASN 110 1HD2 ASN 110 -3.096 10.411 -3.547 827 HD22 ASN 110 2HD2 ASN 110 -4.579 11.158 -4.070 828 H ALA 111 H ALA 111 1.151 13.835 -4.051 829 HA ALA 111 HA ALA 111 0.524 16.068 -5.666 830 HB1 ALA 111 1HB ALA 111 1.574 16.159 -3.426 831 HB2 ALA 111 2HB ALA 111 3.046 15.408 -4.090 832 HB3 ALA 111 3HB ALA 111 2.548 17.022 -4.631 833 H LEU 112 H LEU 112 1.903 13.309 -6.845 834 HA LEU 112 HA LEU 112 3.747 14.546 -8.784 835 HB2 LEU 112 1HB LEU 112 2.494 11.766 -8.722 836 HB3 LEU 112 2HB LEU 112 3.814 12.301 -9.752 837 HG LEU 112 HG LEU 112 3.891 12.031 -6.719 838 HD11 LEU 112 1HD1 LEU 112 5.380 10.503 -8.864 839 HD12 LEU 112 2HD1 LEU 112 3.995 9.892 -7.930 840 HD13 LEU 112 3HD1 LEU 112 5.513 10.270 -7.096 841 HD21 LEU 112 3HD2 LEU 112 6.267 12.572 -6.862 842 HD22 LEU 112 1HD2 LEU 112 5.303 13.926 -7.437 843 HD23 LEU 112 2HD2 LEU 112 6.118 12.885 -8.615 844 H GLU 113 H GLU 113 0.302 13.976 -8.504 845 HA GLU 113 HA GLU 113 -0.110 13.878 -11.402 846 HB2 GLU 113 1HB GLU 113 -2.048 13.890 -9.071 847 HB3 GLU 113 2HB GLU 113 -2.493 13.727 -10.776 848 HG2 GLU 113 1HG GLU 113 -0.919 11.744 -10.917 849 HG3 GLU 113 2HG GLU 113 -0.794 11.789 -9.156 850 H GLY 114 H GLY 114 0.439 15.747 -12.294 851 HA2 GLY 114 1HA GLY 114 -0.854 18.275 -11.603 852 HA3 GLY 114 2HA GLY 114 0.200 17.965 -12.998 Start of MODEL 16 1 H1 MET 1 H MET 1 -6.686 -12.525 7.253 2 HA MET 1 HA MET 1 -8.774 -13.684 7.282 3 HB2 MET 1 1HB MET 1 -7.949 -14.107 10.035 4 HB3 MET 1 2HB MET 1 -9.606 -13.490 9.995 5 HG2 MET 1 1HG MET 1 -10.415 -15.281 8.848 6 HG3 MET 1 2HG MET 1 -8.904 -15.621 8.004 7 HE1 MET 1 3HE MET 1 -6.654 -16.277 9.777 8 HE2 MET 1 1HE MET 1 -6.973 -17.985 10.154 9 HE3 MET 1 2HE MET 1 -7.326 -17.365 8.533 10 H GLY 2 H GLY 2 -10.493 -12.304 6.670 11 HA2 GLY 2 1HA GLY 2 -10.828 -9.703 7.958 12 HA3 GLY 2 2HA GLY 2 -10.009 -9.604 6.395 13 H ALA 3 H ALA 3 -11.144 -10.234 4.501 14 HA ALA 3 HA ALA 3 -12.817 -10.342 3.064 15 HB1 ALA 3 1HB ALA 3 -14.687 -11.881 3.532 16 HB2 ALA 3 2HB ALA 3 -13.135 -12.566 4.049 17 HB3 ALA 3 3HB ALA 3 -14.272 -11.890 5.245 18 H GLY 4 H GLY 4 -15.327 -9.962 2.716 19 HA2 GLY 4 1HA GLY 4 -17.291 -8.901 3.163 20 HA3 GLY 4 2HA GLY 4 -16.623 -8.287 4.673 21 H GLN 5 H GLN 5 -15.241 -6.382 4.573 22 HA GLN 5 HA GLN 5 -15.764 -4.574 2.263 23 HB2 GLN 5 1HB GLN 5 -16.731 -2.984 3.909 24 HB3 GLN 5 2HB GLN 5 -17.789 -4.338 3.452 25 HG2 GLN 5 1HG GLN 5 -17.233 -5.427 5.604 26 HG3 GLN 5 2HG GLN 5 -16.181 -4.084 6.033 27 HE21 GLN 5 1HE2 GLN 5 -19.117 -2.892 4.441 28 HE22 GLN 5 2HE2 GLN 5 -19.928 -2.536 5.959 29 H THR 6 H THR 6 -13.730 -5.500 4.363 30 HA THR 6 HA THR 6 -11.869 -3.313 3.710 31 HB THR 6 HB THR 6 -10.858 -3.747 6.166 32 HG1 THR 6 1HG THR 6 -12.354 -4.057 7.672 33 HG21 THR 6 3HG2 THR 6 -11.566 -1.560 5.221 34 HG22 THR 6 1HG2 THR 6 -11.897 -1.719 6.946 35 HG23 THR 6 2HG2 THR 6 -13.219 -1.881 5.777 36 HA PRO 7 HA PRO 7 -9.134 -6.675 2.929 37 HB2 PRO 7 1HB PRO 7 -6.640 -5.669 3.542 38 HB3 PRO 7 2HB PRO 7 -7.588 -5.207 2.096 39 HG2 PRO 7 1HG PRO 7 -7.439 -3.758 4.752 40 HG3 PRO 7 2HG PRO 7 -7.263 -3.064 3.100 41 HD2 PRO 7 1HD PRO 7 -9.585 -2.926 4.446 42 HD3 PRO 7 2HD PRO 7 -9.571 -3.273 2.689 43 H HIS 8 H HIS 8 -8.399 -5.095 6.175 44 HA HIS 8 HA HIS 8 -8.485 -7.717 7.416 45 HB2 HIS 8 1HB HIS 8 -6.099 -7.241 6.289 46 HB3 HIS 8 2HB HIS 8 -5.862 -6.188 7.668 47 HD1 HIS 8 1HD HIS 8 -4.944 -7.481 9.775 48 HD2 HIS 8 2HD HIS 8 -6.847 -9.870 6.900 49 HE1 HIS 8 1HE HIS 8 -4.785 -9.853 10.634 50 HA PRO 9 HA PRO 9 -9.486 -4.799 10.756 51 HB2 PRO 9 1HB PRO 9 -9.393 -6.426 12.962 52 HB3 PRO 9 2HB PRO 9 -10.702 -6.506 11.754 53 HG2 PRO 9 1HG PRO 9 -8.197 -8.214 11.906 54 HG3 PRO 9 2HG PRO 9 -9.885 -8.777 11.713 55 HD2 PRO 9 1HD PRO 9 -8.250 -8.523 9.591 56 HD3 PRO 9 2HD PRO 9 -9.970 -8.057 9.468 57 H GLN 10 H GLN 10 -6.520 -6.667 10.691 58 HA GLN 10 HA GLN 10 -5.288 -5.021 12.818 59 HB2 GLN 10 1HB GLN 10 -3.840 -7.030 11.088 60 HB3 GLN 10 2HB GLN 10 -3.324 -6.299 12.595 61 HG2 GLN 10 1HG GLN 10 -5.422 -7.401 13.668 62 HG3 GLN 10 2HG GLN 10 -5.529 -8.361 12.211 63 HE21 GLN 10 1HE2 GLN 10 -3.627 -7.678 15.067 64 HE22 GLN 10 2HE2 GLN 10 -2.560 -9.077 15.003 65 H LEU 11 H LEU 11 -5.925 -4.505 9.550 66 HA LEU 11 HA LEU 11 -3.588 -2.787 8.993 67 HB2 LEU 11 1HB LEU 11 -4.634 -3.971 7.151 68 HB3 LEU 11 2HB LEU 11 -6.216 -3.277 7.501 69 HG LEU 11 HG LEU 11 -3.949 -1.374 6.962 70 HD11 LEU 11 1HD1 LEU 11 -3.825 -3.155 5.220 71 HD12 LEU 11 2HD1 LEU 11 -4.212 -1.559 4.580 72 HD13 LEU 11 3HD1 LEU 11 -5.487 -2.767 4.766 73 HD21 LEU 11 3HD2 LEU 11 -6.200 -0.379 7.463 74 HD22 LEU 11 1HD2 LEU 11 -6.902 -1.320 6.147 75 HD23 LEU 11 2HD2 LEU 11 -5.700 -0.059 5.814 76 H ILE 12 H ILE 12 -3.498 -0.677 9.559 77 HA ILE 12 HA ILE 12 -5.984 0.761 10.354 78 HB ILE 12 HB ILE 12 -3.124 1.237 11.201 79 HG12 ILE 12 1HG1 ILE 12 -3.664 -0.925 12.132 80 HG13 ILE 12 2HG1 ILE 12 -3.583 0.271 13.398 81 HG21 ILE 12 1HG2 ILE 12 -5.650 2.328 12.472 82 HG22 ILE 12 2HG2 ILE 12 -3.986 2.639 12.973 83 HG23 ILE 12 3HG2 ILE 12 -4.527 3.220 11.403 84 HD11 ILE 12 3HD1 ILE 12 -6.050 0.361 13.525 85 HD12 ILE 12 1HD1 ILE 12 -6.178 -0.823 12.216 86 HD13 ILE 12 2HD1 ILE 12 -5.444 -1.284 13.761 87 H TRP 13 H TRP 13 -6.516 2.142 8.714 88 HA TRP 13 HA TRP 13 -4.891 2.828 6.526 89 HB2 TRP 13 1HB TRP 13 -7.156 4.458 7.708 90 HB3 TRP 13 2HB TRP 13 -6.591 4.550 6.071 91 HD1 TRP 13 HD TRP 13 -9.050 2.670 8.178 92 HE1 TRP 13 1HE TRP 13 -10.325 1.030 6.739 93 HE3 TRP 13 3HE TRP 13 -5.988 2.703 4.063 94 HZ2 TRP 13 2HZ TRP 13 -9.755 -0.559 4.319 95 HZ3 TRP 13 3HZ TRP 13 -6.304 0.966 2.283 96 HH2 TRP 13 HH TRP 13 -8.154 -0.652 2.417 97 HA PRO 14 HA PRO 14 -4.773 4.851 5.064 98 HB2 PRO 14 1HB PRO 14 -2.381 5.595 4.003 99 HB3 PRO 14 2HB PRO 14 -3.667 6.724 4.423 100 HG2 PRO 14 1HG PRO 14 -1.203 6.008 6.010 101 HG3 PRO 14 2HG PRO 14 -1.913 7.634 5.764 102 HD2 PRO 14 1HD PRO 14 -2.387 6.221 8.042 103 HD3 PRO 14 2HD PRO 14 -3.679 7.203 7.287 104 H ALA 15 H ALA 15 -3.578 3.726 3.144 105 HA ALA 15 HA ALA 15 -1.678 1.694 4.035 106 HB1 ALA 15 1HB ALA 15 -3.989 0.662 4.159 107 HB2 ALA 15 2HB ALA 15 -4.140 0.969 2.410 108 HB3 ALA 15 3HB ALA 15 -2.904 -0.155 3.001 109 H LEU 16 H LEU 16 -0.922 0.409 2.122 110 HA LEU 16 HA LEU 16 -0.685 1.883 -0.431 111 HB2 LEU 16 1HB LEU 16 1.484 1.213 1.571 112 HB3 LEU 16 2HB LEU 16 1.871 1.163 -0.141 113 HG LEU 16 HG LEU 16 0.612 3.613 1.140 114 HD11 LEU 16 1HD1 LEU 16 2.706 3.135 2.352 115 HD12 LEU 16 2HD1 LEU 16 2.851 4.585 1.344 116 HD13 LEU 16 3HD1 LEU 16 3.587 3.059 0.806 117 HD21 LEU 16 3HD2 LEU 16 1.430 4.767 -0.790 118 HD22 LEU 16 1HD2 LEU 16 0.650 3.295 -1.409 119 HD23 LEU 16 2HD2 LEU 16 2.411 3.382 -1.304 120 H LEU 17 H LEU 17 -1.467 0.321 -1.815 121 HA LEU 17 HA LEU 17 -0.855 -2.546 -1.334 122 HB2 LEU 17 1HB LEU 17 -3.137 -1.749 -2.231 123 HB3 LEU 17 2HB LEU 17 -2.288 -1.236 -3.679 124 HG LEU 17 HG LEU 17 -1.480 -3.747 -3.836 125 HD11 LEU 17 1HD1 LEU 17 -3.139 -5.337 -2.911 126 HD12 LEU 17 2HD1 LEU 17 -3.929 -4.025 -2.031 127 HD13 LEU 17 3HD1 LEU 17 -2.264 -4.505 -1.626 128 HD21 LEU 17 3HD2 LEU 17 -3.447 -4.388 -5.088 129 HD22 LEU 17 1HD2 LEU 17 -3.067 -2.695 -5.402 130 HD23 LEU 17 2HD2 LEU 17 -4.405 -3.109 -4.311 131 H LYS 18 H LYS 18 0.597 -3.743 -2.826 132 HA LYS 18 HA LYS 18 1.665 -2.229 -5.087 133 HB2 LYS 18 1HB LYS 18 3.149 -1.948 -2.850 134 HB3 LYS 18 2HB LYS 18 3.833 -3.459 -3.370 135 HG2 LYS 18 1HG LYS 18 3.573 -0.929 -5.075 136 HG3 LYS 18 2HG LYS 18 5.025 -1.392 -4.225 137 HD2 LYS 18 1HD LYS 18 3.765 -3.176 -6.355 138 HD3 LYS 18 2HD LYS 18 4.947 -1.950 -6.714 139 HE2 LYS 18 1HE LYS 18 5.542 -3.991 -4.565 140 HE3 LYS 18 2HE LYS 18 5.683 -4.447 -6.272 141 HZ1 LYS 18 3HZ LYS 18 7.737 -3.422 -5.039 142 HZ2 LYS 18 1HZ LYS 18 7.025 -1.990 -5.459 143 HZ3 LYS 18 2HZ LYS 18 7.430 -3.144 -6.584 144 H GLN 19 H GLN 19 0.752 -3.624 -6.480 145 HA GLN 19 HA GLN 19 0.155 -6.322 -6.080 146 HB2 GLN 19 1HB GLN 19 0.559 -4.688 -8.637 147 HB3 GLN 19 2HB GLN 19 0.145 -6.390 -8.661 148 HG2 GLN 19 1HG GLN 19 -1.814 -5.508 -6.977 149 HG3 GLN 19 2HG GLN 19 -1.584 -4.095 -8.009 150 HE21 GLN 19 1HE2 GLN 19 -2.726 -7.408 -7.888 151 HE22 GLN 19 2HE2 GLN 19 -3.686 -7.175 -9.341 152 H GLN 20 H GLN 20 0.990 -8.264 -6.930 153 HA GLN 20 HA GLN 20 3.865 -8.336 -7.018 154 HB2 GLN 20 1HB GLN 20 1.948 -10.237 -6.424 155 HB3 GLN 20 2HB GLN 20 2.402 -10.711 -8.070 156 HG2 GLN 20 1HG GLN 20 4.804 -10.643 -7.346 157 HG3 GLN 20 2HG GLN 20 4.265 -10.326 -5.690 158 HE21 GLN 20 1HE2 GLN 20 2.983 -12.091 -4.621 159 HE22 GLN 20 2HE2 GLN 20 3.244 -13.760 -5.174 160 H GLY 21 H GLY 21 1.714 -7.450 -9.297 161 HA2 GLY 21 1HA GLY 21 3.240 -8.416 -11.673 162 HA3 GLY 21 2HA GLY 21 1.659 -7.634 -11.694 163 H CYS 22 H CYS 22 3.048 -5.503 -9.689 164 HA CYS 22 HA CYS 22 4.273 -3.875 -11.865 165 HB2 CYS 22 1HB CYS 22 1.777 -3.400 -10.241 166 HB3 CYS 22 2HB CYS 22 2.789 -2.052 -10.481 167 HG CYS 22 HG CYS 22 1.709 -4.105 -12.835 168 H ASN 23 H ASN 23 4.785 -1.701 -10.715 169 HA ASN 23 HA ASN 23 6.454 -2.216 -8.317 170 HB2 ASN 23 1HB ASN 23 8.055 -0.554 -9.713 171 HB3 ASN 23 2HB ASN 23 8.186 -2.309 -9.724 172 HD21 ASN 23 1HD2 ASN 23 8.056 -3.329 -11.678 173 HD22 ASN 23 2HD2 ASN 23 7.543 -2.516 -13.139 174 H GLU 24 H GLU 24 4.255 -0.156 -10.069 175 HA GLU 24 HA GLU 24 4.701 2.241 -8.475 176 HB2 GLU 24 1HB GLU 24 3.591 1.909 -10.797 177 HB3 GLU 24 2HB GLU 24 2.188 1.282 -9.922 178 HG2 GLU 24 1HG GLU 24 1.954 3.505 -8.811 179 HG3 GLU 24 2HG GLU 24 3.452 4.038 -9.610 180 H LEU 25 H LEU 25 3.112 2.859 -6.822 181 HA LEU 25 HA LEU 25 2.050 0.602 -5.187 182 HB2 LEU 25 1HB LEU 25 2.855 3.405 -4.351 183 HB3 LEU 25 2HB LEU 25 1.979 2.299 -3.337 184 HG LEU 25 HG LEU 25 4.437 1.072 -4.465 185 HD11 LEU 25 1HD1 LEU 25 4.642 3.410 -2.570 186 HD12 LEU 25 2HD1 LEU 25 5.287 3.304 -4.220 187 HD13 LEU 25 3HD1 LEU 25 5.942 2.253 -2.964 188 HD21 LEU 25 3HD2 LEU 25 2.868 0.216 -2.566 189 HD22 LEU 25 1HD2 LEU 25 3.658 1.425 -1.546 190 HD23 LEU 25 2HD2 LEU 25 4.619 0.144 -2.286 191 H LEU 26 H LEU 26 0.037 1.107 -4.135 192 HA LEU 26 HA LEU 26 -1.621 3.176 -5.449 193 HB2 LEU 26 1HB LEU 26 -2.157 0.397 -5.382 194 HB3 LEU 26 2HB LEU 26 -3.299 1.134 -4.289 195 HG LEU 26 HG LEU 26 -4.215 0.979 -6.516 196 HD11 LEU 26 1HD1 LEU 26 -3.665 3.892 -5.838 197 HD12 LEU 26 2HD1 LEU 26 -4.907 2.869 -5.081 198 HD13 LEU 26 3HD1 LEU 26 -5.000 3.268 -6.800 199 HD21 LEU 26 3HD2 LEU 26 -3.396 2.190 -8.442 200 HD22 LEU 26 1HD2 LEU 26 -2.136 1.097 -7.849 201 HD23 LEU 26 2HD2 LEU 26 -2.034 2.839 -7.533 202 HA PRO 27 HA PRO 27 -1.295 4.444 -1.000 203 HB2 PRO 27 1HB PRO 27 -1.724 7.106 -1.448 204 HB3 PRO 27 2HB PRO 27 -0.120 6.343 -1.644 205 HG2 PRO 27 1HG PRO 27 -2.137 7.012 -3.794 206 HG3 PRO 27 2HG PRO 27 -0.374 7.302 -3.795 207 HD2 PRO 27 1HD PRO 27 -1.549 5.174 -5.026 208 HD3 PRO 27 2HD PRO 27 0.079 5.057 -4.309 209 H LEU 28 H LEU 28 -3.110 4.192 0.216 210 HA LEU 28 HA LEU 28 -5.727 5.222 -0.794 211 HB2 LEU 28 1HB LEU 28 -5.197 2.753 0.898 212 HB3 LEU 28 2HB LEU 28 -6.736 3.521 0.750 213 HG LEU 28 HG LEU 28 -6.983 1.755 -0.623 214 HD11 LEU 28 1HD1 LEU 28 -7.636 3.792 -1.874 215 HD12 LEU 28 2HD1 LEU 28 -7.156 2.474 -2.939 216 HD13 LEU 28 3HD1 LEU 28 -6.054 3.825 -2.656 217 HD21 LEU 28 3HD2 LEU 28 -4.361 2.189 -2.019 218 HD22 LEU 28 1HD2 LEU 28 -5.448 0.818 -2.201 219 HD23 LEU 28 2HD2 LEU 28 -4.563 1.054 -0.664 220 H ARG 29 H ARG 29 -6.067 7.038 0.287 221 HA ARG 29 HA ARG 29 -4.666 7.818 2.656 222 HB2 ARG 29 1HB ARG 29 -7.135 8.910 1.209 223 HB3 ARG 29 2HB ARG 29 -6.338 9.756 2.531 224 HG2 ARG 29 1HG ARG 29 -4.421 10.231 1.351 225 HG3 ARG 29 2HG ARG 29 -4.686 8.970 0.128 226 HD2 ARG 29 1HD ARG 29 -6.299 11.524 0.418 227 HD3 ARG 29 2HD ARG 29 -4.979 11.259 -0.726 228 HE ARG 29 HE ARG 29 -6.861 9.170 -1.125 229 HH11 ARG 29 1HH1 ARG 29 -6.413 12.645 -1.688 230 HH12 ARG 29 2HH1 ARG 29 -7.473 12.730 -3.038 231 HH21 ARG 29 1HH2 ARG 29 -8.289 9.272 -2.843 232 HH22 ARG 29 2HH2 ARG 29 -8.870 10.780 -3.504 233 H THR 30 H THR 30 -8.037 6.743 2.204 234 HA THR 30 HA THR 30 -8.318 6.060 5.014 235 HB THR 30 HB THR 30 -9.161 8.082 5.451 236 HG1 THR 30 1HG THR 30 -11.105 7.969 5.840 237 HG21 THR 30 3HG2 THR 30 -10.535 9.540 3.916 238 HG22 THR 30 1HG2 THR 30 -10.341 8.329 2.634 239 HG23 THR 30 2HG2 THR 30 -8.934 9.224 3.256 240 H ASN 31 H ASN 31 -10.586 5.028 5.195 241 HA ASN 31 HA ASN 31 -10.593 2.708 3.610 242 HB2 ASN 31 1HB ASN 31 -11.478 3.005 5.877 243 HB3 ASN 31 2HB ASN 31 -12.729 4.024 5.316 244 HD21 ASN 31 1HD2 ASN 31 -11.560 0.785 4.080 245 HD22 ASN 31 2HD2 ASN 31 -13.182 0.145 3.981 246 H ASP 32 H ASP 32 -12.370 5.716 3.202 247 HA ASP 32 HA ASP 32 -14.299 5.043 1.242 248 HB2 ASP 32 1HB ASP 32 -14.374 7.140 2.363 249 HB3 ASP 32 2HB ASP 32 -12.690 7.506 1.964 250 H ASP 33 H ASP 33 -10.836 5.702 0.971 251 HA ASP 33 HA ASP 33 -10.669 6.136 -1.831 252 HB2 ASP 33 1HB ASP 33 -9.088 6.651 0.239 253 HB3 ASP 33 2HB ASP 33 -8.405 5.070 -0.108 254 H TRP 34 H TRP 34 -10.083 3.178 0.231 255 HA TRP 34 HA TRP 34 -9.446 1.428 -1.916 256 HB2 TRP 34 1HB TRP 34 -8.949 0.858 0.371 257 HB3 TRP 34 2HB TRP 34 -10.659 0.854 0.818 258 HD1 TRP 34 HD TRP 34 -12.060 -1.342 -0.163 259 HE1 TRP 34 1HE TRP 34 -11.259 -3.687 -0.800 260 HE3 TRP 34 3HE TRP 34 -7.021 -0.456 -0.379 261 HZ2 TRP 34 2HZ TRP 34 -8.752 -4.994 -1.414 262 HZ3 TRP 34 3HZ TRP 34 -5.444 -2.276 -0.994 263 HH2 TRP 34 HH TRP 34 -6.315 -4.552 -1.517 264 H GLN 35 H GLN 35 -12.621 2.317 -0.398 265 HA GLN 35 HA GLN 35 -14.173 0.504 -1.949 266 HB2 GLN 35 1HB GLN 35 -14.909 3.172 -0.705 267 HB3 GLN 35 2HB GLN 35 -16.061 2.027 -1.402 268 HG2 GLN 35 1HG GLN 35 -14.174 1.319 0.894 269 HG3 GLN 35 2HG GLN 35 -15.793 1.910 1.109 270 HE21 GLN 35 1HE2 GLN 35 -17.494 0.280 1.151 271 HE22 GLN 35 2HE2 GLN 35 -17.143 -1.387 0.698 272 H ARG 36 H ARG 36 -13.406 3.969 -2.511 273 HA ARG 36 HA ARG 36 -14.617 4.158 -5.048 274 HB2 ARG 36 1HB ARG 36 -12.338 5.674 -3.753 275 HB3 ARG 36 2HB ARG 36 -12.951 6.091 -5.363 276 HG2 ARG 36 1HG ARG 36 -15.121 6.628 -4.567 277 HG3 ARG 36 2HG ARG 36 -14.859 5.800 -3.026 278 HD2 ARG 36 1HD ARG 36 -14.773 8.022 -2.468 279 HD3 ARG 36 2HD ARG 36 -13.089 7.493 -2.492 280 HE ARG 36 HE ARG 36 -13.826 8.626 -5.048 281 HH11 ARG 36 1HH1 ARG 36 -13.124 9.468 -1.709 282 HH12 ARG 36 2HH1 ARG 36 -12.316 10.968 -2.063 283 HH21 ARG 36 1HH2 ARG 36 -13.068 10.828 -5.559 284 HH22 ARG 36 2HH2 ARG 36 -12.383 11.767 -4.303 285 H PHE 37 H PHE 37 -11.299 2.980 -4.284 286 HA PHE 37 HA PHE 37 -10.336 2.846 -6.868 287 HB2 PHE 37 1HB PHE 37 -9.016 2.277 -4.855 288 HB3 PHE 37 2HB PHE 37 -9.903 0.773 -4.684 289 HD1 PHE 37 1HD PHE 37 -7.379 2.585 -6.666 290 HD2 PHE 37 2HD PHE 37 -9.465 -1.155 -6.177 291 HE1 PHE 37 1HE PHE 37 -5.873 1.518 -8.324 292 HE2 PHE 37 2HE PHE 37 -7.935 -2.235 -7.782 293 HZ PHE 37 HZ PHE 37 -6.138 -0.888 -8.883 294 H CYS 38 H CYS 38 -11.960 -0.042 -5.334 295 HA CYS 38 HA CYS 38 -12.232 -1.265 -8.000 296 HB2 CYS 38 1HB CYS 38 -12.041 -2.325 -5.509 297 HB3 CYS 38 2HB CYS 38 -13.805 -2.344 -5.708 298 HG CYS 38 HG CYS 38 -13.881 -3.635 -7.886 299 H ALA 39 H ALA 39 -14.123 1.122 -6.290 300 HA ALA 39 HA ALA 39 -16.608 0.528 -7.660 301 HB1 ALA 39 1HB ALA 39 -16.427 2.040 -5.658 302 HB2 ALA 39 2HB ALA 39 -15.611 3.225 -6.705 303 HB3 ALA 39 3HB ALA 39 -17.275 2.751 -7.049 304 H ASP 40 H ASP 40 -13.748 2.639 -8.382 305 HA ASP 40 HA ASP 40 -14.956 3.212 -10.997 306 HB2 ASP 40 1HB ASP 40 -13.544 4.785 -9.035 307 HB3 ASP 40 2HB ASP 40 -12.618 4.812 -10.522 308 H SER 41 H SER 41 -12.518 1.428 -9.802 309 HA SER 41 HA SER 41 -11.226 0.812 -12.420 310 HB2 SER 41 1HB SER 41 -9.920 2.626 -11.609 311 HB3 SER 41 2HB SER 41 -9.973 2.049 -9.941 312 HG SER 41 HG SER 41 -8.629 0.468 -10.381 313 H LYS 42 H LYS 42 -12.389 -1.193 -12.133 314 HA LYS 42 HA LYS 42 -11.749 -2.959 -9.849 315 HB2 LYS 42 1HB LYS 42 -13.211 -3.608 -12.441 316 HB3 LYS 42 2HB LYS 42 -13.011 -4.644 -11.005 317 HG2 LYS 42 1HG LYS 42 -14.249 -3.024 -9.669 318 HG3 LYS 42 2HG LYS 42 -14.591 -2.062 -11.131 319 HD2 LYS 42 1HD LYS 42 -15.605 -4.294 -12.040 320 HD3 LYS 42 2HD LYS 42 -15.482 -4.896 -10.401 321 HE2 LYS 42 1HE LYS 42 -17.713 -4.110 -10.700 322 HE3 LYS 42 2HE LYS 42 -16.908 -2.934 -9.646 323 HZ1 LYS 42 3HZ LYS 42 -16.689 -1.461 -11.526 324 HZ2 LYS 42 1HZ LYS 42 -18.259 -1.960 -11.472 325 HZ3 LYS 42 2HZ LYS 42 -17.194 -2.590 -12.571 326 H HIS 43 H HIS 43 -9.465 -2.259 -10.548 327 HA HIS 43 HA HIS 43 -8.021 -3.512 -12.616 328 HB2 HIS 43 1HB HIS 43 -7.455 -1.680 -10.778 329 HB3 HIS 43 2HB HIS 43 -6.916 -3.062 -9.840 330 HD1 HIS 43 1HD HIS 43 -5.546 -0.502 -11.969 331 HD2 HIS 43 2HD HIS 43 -4.971 -4.668 -11.534 332 HE1 HIS 43 1HE HIS 43 -3.205 -0.997 -12.741 333 H LEU 44 H LEU 44 -6.889 -5.530 -12.629 334 HA LEU 44 HA LEU 44 -7.921 -7.805 -11.476 335 HB2 LEU 44 1HB LEU 44 -6.120 -7.172 -13.411 336 HB3 LEU 44 2HB LEU 44 -5.023 -7.762 -12.163 337 HG LEU 44 HG LEU 44 -7.503 -9.268 -13.158 338 HD11 LEU 44 1HD1 LEU 44 -5.925 -10.643 -14.459 339 HD12 LEU 44 2HD1 LEU 44 -4.583 -9.594 -13.939 340 HD13 LEU 44 3HD1 LEU 44 -5.881 -8.948 -14.960 341 HD21 LEU 44 3HD2 LEU 44 -5.087 -10.083 -11.541 342 HD22 LEU 44 1HD2 LEU 44 -6.319 -11.230 -12.129 343 HD23 LEU 44 2HD2 LEU 44 -6.756 -9.985 -10.950 344 H LEU 45 H LEU 45 -7.692 -8.748 -9.454 345 HA LEU 45 HA LEU 45 -5.558 -7.764 -7.592 346 HB2 LEU 45 1HB LEU 45 -8.394 -8.685 -6.979 347 HB3 LEU 45 2HB LEU 45 -7.174 -8.414 -5.761 348 HG LEU 45 HG LEU 45 -7.960 -6.190 -7.684 349 HD11 LEU 45 1HD1 LEU 45 -9.213 -6.695 -4.963 350 HD12 LEU 45 2HD1 LEU 45 -9.986 -7.060 -6.521 351 HD13 LEU 45 3HD1 LEU 45 -9.589 -5.393 -6.126 352 HD21 LEU 45 3HD2 LEU 45 -7.052 -4.704 -6.009 353 HD22 LEU 45 1HD2 LEU 45 -5.834 -5.936 -6.354 354 HD23 LEU 45 2HD2 LEU 45 -6.789 -6.047 -4.871 355 H GLN 46 H GLN 46 -4.374 -9.384 -6.514 356 HA GLN 46 HA GLN 46 -4.904 -12.198 -7.325 357 HB2 GLN 46 1HB GLN 46 -2.326 -10.636 -7.801 358 HB3 GLN 46 2HB GLN 46 -2.585 -12.352 -8.153 359 HG2 GLN 46 1HG GLN 46 -4.310 -11.787 -9.808 360 HG3 GLN 46 2HG GLN 46 -4.112 -10.070 -9.451 361 HE21 GLN 46 1HE2 GLN 46 -1.552 -9.524 -9.410 362 HE22 GLN 46 2HE2 GLN 46 -0.704 -10.129 -10.822 363 H TYR 47 H TYR 47 -3.841 -13.705 -6.125 364 HA TYR 47 HA TYR 47 -3.230 -13.077 -3.387 365 HB2 TYR 47 1HB TYR 47 -2.290 -15.546 -4.830 366 HB3 TYR 47 2HB TYR 47 -2.712 -15.374 -3.134 367 HD1 TYR 47 1HD TYR 47 -5.422 -14.027 -3.337 368 HD2 TYR 47 2HD TYR 47 -3.692 -17.283 -5.576 369 HE1 TYR 47 1HE TYR 47 -7.675 -14.744 -4.019 370 HE2 TYR 47 2HE TYR 47 -5.935 -18.075 -6.154 371 HH TYR 47 HH TYR 47 -8.890 -16.221 -5.361 372 H GLY 48 H GLY 48 -1.409 -12.525 -2.490 373 HA2 GLY 48 1HA GLY 48 0.977 -12.300 -2.346 374 HA3 GLY 48 2HA GLY 48 1.109 -12.519 -4.069 375 H ASP 49 H ASP 49 -1.394 -10.258 -3.539 376 HA ASP 49 HA ASP 49 0.117 -8.321 -4.892 377 HB2 ASP 49 1HB ASP 49 -2.665 -8.640 -3.859 378 HB3 ASP 49 2HB ASP 49 -2.162 -6.995 -4.067 379 H LYS 50 H LYS 50 0.121 -8.753 -1.687 380 HA LYS 50 HA LYS 50 0.858 -7.760 0.151 381 HB2 LYS 50 1HB LYS 50 2.770 -7.582 -1.691 382 HB3 LYS 50 2HB LYS 50 2.531 -5.847 -1.408 383 HG2 LYS 50 1HG LYS 50 2.945 -6.196 1.044 384 HG3 LYS 50 2HG LYS 50 3.199 -7.920 0.746 385 HD2 LYS 50 1HD LYS 50 4.801 -5.756 -0.672 386 HD3 LYS 50 2HD LYS 50 5.300 -6.433 0.877 387 HE2 LYS 50 1HE LYS 50 5.606 -8.622 -0.006 388 HE3 LYS 50 2HE LYS 50 4.673 -8.255 -1.474 389 HZ1 LYS 50 3HZ LYS 50 6.411 -6.762 -2.151 390 HZ2 LYS 50 1HZ LYS 50 7.015 -8.266 -1.949 391 HZ3 LYS 50 2HZ LYS 50 7.323 -7.159 -0.799 392 H LEU 51 H LEU 51 0.359 -6.300 1.681 393 HA LEU 51 HA LEU 51 -0.521 -3.583 0.847 394 HB2 LEU 51 1HB LEU 51 -2.249 -5.498 1.796 395 HB3 LEU 51 2HB LEU 51 -1.640 -4.851 3.326 396 HG LEU 51 HG LEU 51 -2.655 -2.777 3.032 397 HD11 LEU 51 1HD1 LEU 51 -2.118 -2.153 0.738 398 HD12 LEU 51 2HD1 LEU 51 -3.851 -2.024 1.004 399 HD13 LEU 51 3HD1 LEU 51 -3.203 -3.416 0.121 400 HD21 LEU 51 3HD2 LEU 51 -4.211 -4.692 3.465 401 HD22 LEU 51 1HD2 LEU 51 -4.485 -4.858 1.722 402 HD23 LEU 51 2HD2 LEU 51 -5.012 -3.389 2.555 403 H VAL 52 H VAL 52 -0.012 -1.942 2.378 404 HA VAL 52 HA VAL 52 1.660 -2.614 4.731 405 HB VAL 52 HB VAL 52 2.214 -0.662 2.454 406 HG11 VAL 52 1HG1 VAL 52 3.391 -0.707 5.251 407 HG12 VAL 52 2HG1 VAL 52 4.162 0.084 3.855 408 HG13 VAL 52 3HG1 VAL 52 2.586 0.627 4.418 409 HG21 VAL 52 3HG2 VAL 52 3.721 -3.007 3.593 410 HG22 VAL 52 1HG2 VAL 52 3.151 -2.781 1.932 411 HG23 VAL 52 2HG2 VAL 52 4.488 -1.792 2.565 412 H ASP 53 H ASP 53 0.802 -1.537 6.508 413 HA ASP 53 HA ASP 53 -1.149 0.648 6.065 414 HB2 ASP 53 1HB ASP 53 -2.327 -0.083 7.803 415 HB3 ASP 53 2HB ASP 53 -1.615 -1.621 7.390 416 H SER 54 H SER 54 -1.348 2.030 8.187 417 HA SER 54 HA SER 54 0.650 3.952 8.364 418 HB2 SER 54 1HB SER 54 -1.834 3.988 8.988 419 HB3 SER 54 2HB SER 54 -1.382 3.196 10.505 420 HG SER 54 HG SER 54 0.085 4.983 10.837 421 H ASN 55 H ASN 55 0.825 0.825 9.860 422 HA ASN 55 HA ASN 55 2.705 1.731 11.982 423 HB2 ASN 55 1HB ASN 55 0.896 -0.683 11.984 424 HB3 ASN 55 2HB ASN 55 1.846 -0.093 13.338 425 HD21 ASN 55 1HD2 ASN 55 -1.199 0.175 11.726 426 HD22 ASN 55 2HD2 ASN 55 -1.752 1.378 12.900 427 H PHE 56 H PHE 56 2.644 0.496 8.998 428 HA PHE 56 HA PHE 56 4.099 -0.635 7.740 429 HB2 PHE 56 1HB PHE 56 5.789 -0.952 10.242 430 HB3 PHE 56 2HB PHE 56 6.239 -1.462 8.671 431 HD1 PHE 56 2HD PHE 56 4.824 1.873 9.947 432 HD2 PHE 56 1HD PHE 56 7.967 -0.222 7.838 433 HE1 PHE 56 2HE PHE 56 5.742 3.997 9.210 434 HE2 PHE 56 1HE PHE 56 8.873 1.949 7.094 435 HZ PHE 56 HZ PHE 56 7.764 4.072 7.747 436 H HIS 57 H HIS 57 1.830 -1.922 9.512 437 HA HIS 57 HA HIS 57 2.511 -4.737 9.730 438 HB2 HIS 57 1HB HIS 57 -0.188 -3.461 9.249 439 HB3 HIS 57 2HB HIS 57 0.143 -5.104 9.792 440 HD1 HIS 57 1HD HIS 57 -1.295 -2.264 11.166 441 HD2 HIS 57 2HD HIS 57 2.093 -4.517 12.271 442 HE1 HIS 57 1HE HIS 57 -1.022 -1.948 13.663 443 H CYS 58 H CYS 58 3.242 -5.825 7.977 444 HA CYS 58 HA CYS 58 2.356 -5.071 5.298 445 HB2 CYS 58 1HB CYS 58 4.750 -6.096 6.309 446 HB3 CYS 58 2HB CYS 58 3.976 -7.533 5.641 447 HG CYS 58 HG CYS 58 4.314 -4.595 4.204 448 H PHE 59 H PHE 59 1.121 -6.565 4.021 449 HA PHE 59 HA PHE 59 0.192 -9.054 5.306 450 HB2 PHE 59 1HB PHE 59 -1.730 -7.099 3.983 451 HB3 PHE 59 2HB PHE 59 -2.126 -8.707 4.546 452 HD1 PHE 59 2HD PHE 59 -1.130 -5.360 5.558 453 HD2 PHE 59 1HD PHE 59 -2.649 -9.089 6.952 454 HE1 PHE 59 2HE PHE 59 -1.562 -4.324 7.783 455 HE2 PHE 59 1HE PHE 59 -2.818 -8.169 9.237 456 HZ PHE 59 HZ PHE 59 -2.270 -5.756 9.671 457 H VAL 60 H VAL 60 -0.764 -10.509 3.693 458 HA VAL 60 HA VAL 60 -0.174 -10.014 0.850 459 HB VAL 60 HB VAL 60 0.685 -12.354 2.607 460 HG11 VAL 60 1HG1 VAL 60 -0.402 -13.449 0.763 461 HG12 VAL 60 2HG1 VAL 60 0.336 -12.347 -0.408 462 HG13 VAL 60 3HG1 VAL 60 1.320 -13.545 0.481 463 HG21 VAL 60 3HG2 VAL 60 2.157 -10.689 0.500 464 HG22 VAL 60 1HG2 VAL 60 2.319 -10.506 2.258 465 HG23 VAL 60 2HG2 VAL 60 2.858 -12.001 1.484 466 H LEU 61 H LEU 61 -1.863 -10.767 -0.434 467 HA LEU 61 HA LEU 61 -4.335 -11.692 0.850 468 HB2 LEU 61 1HB LEU 61 -4.290 -10.015 -1.092 469 HB3 LEU 61 2HB LEU 61 -3.624 -11.291 -2.083 470 HG LEU 61 HG LEU 61 -5.713 -12.696 -1.441 471 HD11 LEU 61 1HD1 LEU 61 -7.707 -11.556 -0.769 472 HD12 LEU 61 2HD1 LEU 61 -6.910 -9.966 -0.839 473 HD13 LEU 61 3HD1 LEU 61 -6.473 -11.130 0.419 474 HD21 LEU 61 3HD2 LEU 61 -5.302 -11.693 -3.655 475 HD22 LEU 61 1HD2 LEU 61 -6.128 -10.217 -3.143 476 HD23 LEU 61 2HD2 LEU 61 -7.020 -11.750 -3.237 477 H GLU 62 H GLU 62 -5.014 -13.862 0.745 478 HA GLU 62 HA GLU 62 -3.356 -15.768 -0.841 479 HB2 GLU 62 1HB GLU 62 -4.544 -16.253 1.924 480 HB3 GLU 62 2HB GLU 62 -3.773 -17.454 0.891 481 HG2 GLU 62 1HG GLU 62 -1.724 -15.819 0.887 482 HG3 GLU 62 2HG GLU 62 -2.510 -15.087 2.297 483 H GLU 63 H GLU 63 -4.575 -17.818 -1.138 484 HA GLU 63 HA GLU 63 -6.767 -17.238 -2.816 485 HB2 GLU 63 1HB GLU 63 -6.580 -20.097 -2.049 486 HB3 GLU 63 2HB GLU 63 -6.663 -19.354 -3.609 487 HG2 GLU 63 1HG GLU 63 -4.590 -20.568 -3.391 488 HG3 GLU 63 2HG GLU 63 -4.228 -18.842 -3.509 489 H ASP 64 H ASP 64 -6.780 -17.839 0.501 490 HA ASP 64 HA ASP 64 -9.589 -18.779 0.708 491 HB2 ASP 64 1HB ASP 64 -7.837 -19.602 2.277 492 HB3 ASP 64 2HB ASP 64 -7.590 -17.940 2.829 493 H ALA 65 H ALA 65 -8.474 -16.094 -0.450 494 HA ALA 65 HA ALA 65 -9.165 -14.052 -0.848 495 HB1 ALA 65 1HB ALA 65 -11.386 -15.234 -0.967 496 HB2 ALA 65 2HB ALA 65 -11.695 -14.679 0.683 497 HB3 ALA 65 3HB ALA 65 -11.482 -13.495 -0.626 498 H HIS 66 H HIS 66 -8.276 -14.872 2.135 499 HA HIS 66 HA HIS 66 -8.905 -12.319 3.440 500 HB2 HIS 66 1HB HIS 66 -7.875 -13.167 5.395 501 HB3 HIS 66 2HB HIS 66 -9.158 -14.218 4.816 502 HD1 HIS 66 1HD HIS 66 -8.458 -16.699 5.293 503 HD2 HIS 66 2HD HIS 66 -5.322 -14.157 4.094 504 HE1 HIS 66 1HE HIS 66 -6.375 -18.107 5.314 505 H TRP 67 H TRP 67 -7.276 -11.052 4.288 506 HA TRP 67 HA TRP 67 -4.659 -11.108 2.933 507 HB2 TRP 67 1HB TRP 67 -6.083 -9.073 4.700 508 HB3 TRP 67 2HB TRP 67 -4.366 -9.002 4.341 509 HD1 TRP 67 HD TRP 67 -7.763 -8.634 2.593 510 HE1 TRP 67 1HE TRP 67 -7.458 -7.565 0.294 511 HE3 TRP 67 3HE TRP 67 -2.709 -8.689 2.435 512 HZ2 TRP 67 2HZ TRP 67 -5.189 -6.926 -1.491 513 HZ3 TRP 67 3HZ TRP 67 -1.471 -7.931 0.477 514 HH2 TRP 67 HH TRP 67 -2.702 -7.058 -1.536 515 H HIS 68 H HIS 68 -2.944 -11.824 4.242 516 HA HIS 68 HA HIS 68 -3.638 -12.701 6.987 517 HB2 HIS 68 1HB HIS 68 -3.091 -14.650 5.651 518 HB3 HIS 68 2HB HIS 68 -1.702 -13.842 4.922 519 HD1 HIS 68 1HD HIS 68 0.555 -13.764 6.345 520 HD2 HIS 68 2HD HIS 68 -2.749 -15.577 8.203 521 HE1 HIS 68 1HE HIS 68 1.397 -14.686 8.559 522 HA PRO 69 HA PRO 69 -0.566 -9.550 8.086 523 HB2 PRO 69 1HB PRO 69 0.153 -10.376 10.608 524 HB3 PRO 69 2HB PRO 69 -1.393 -9.574 10.235 525 HG2 PRO 69 1HG PRO 69 -0.866 -12.547 10.476 526 HG3 PRO 69 2HG PRO 69 -2.208 -11.596 11.193 527 HD2 PRO 69 1HD PRO 69 -2.559 -12.998 8.941 528 HD3 PRO 69 2HD PRO 69 -3.289 -11.385 9.115 529 H ALA 70 H ALA 70 1.190 -9.652 6.853 530 HA ALA 70 HA ALA 70 3.037 -11.940 6.843 531 HB1 ALA 70 1HB ALA 70 2.378 -10.948 4.721 532 HB2 ALA 70 2HB ALA 70 2.936 -9.348 5.252 533 HB3 ALA 70 3HB ALA 70 4.102 -10.663 5.030 534 H ALA 71 H ALA 71 2.706 -10.392 9.266 535 HA ALA 71 HA ALA 71 3.790 -9.492 11.001 536 HB1 ALA 71 1HB ALA 71 5.504 -11.237 10.378 537 HB2 ALA 71 2HB ALA 71 6.389 -9.976 9.493 538 HB3 ALA 71 3HB ALA 71 6.175 -9.854 11.237 539 HA PRO 72 HA PRO 72 4.549 -5.198 10.094 540 HB2 PRO 72 1HB PRO 72 6.400 -4.399 11.950 541 HB3 PRO 72 2HB PRO 72 4.652 -4.696 12.321 542 HG2 PRO 72 1HG PRO 72 6.966 -6.611 12.711 543 HG3 PRO 72 2HG PRO 72 5.699 -6.147 13.900 544 HD2 PRO 72 1HD PRO 72 5.412 -8.394 12.465 545 HD3 PRO 72 2HD PRO 72 4.013 -7.318 12.688 546 H LEU 73 H LEU 73 6.329 -3.722 9.525 547 HA LEU 73 HA LEU 73 8.508 -5.185 8.161 548 HB2 LEU 73 1HB LEU 73 6.487 -4.266 6.827 549 HB3 LEU 73 2HB LEU 73 7.107 -2.666 7.190 550 HG LEU 73 HG LEU 73 9.277 -3.337 6.028 551 HD11 LEU 73 1HD1 LEU 73 7.473 -5.528 4.874 552 HD12 LEU 73 2HD1 LEU 73 8.752 -5.831 6.036 553 HD13 LEU 73 3HD1 LEU 73 9.187 -5.196 4.455 554 HD21 LEU 73 3HD2 LEU 73 7.648 -1.832 5.013 555 HD22 LEU 73 1HD2 LEU 73 6.720 -3.204 4.385 556 HD23 LEU 73 2HD2 LEU 73 8.374 -2.879 3.799 557 HA PRO 74 HA PRO 74 11.303 -2.367 10.217 558 HB2 PRO 74 1HB PRO 74 13.328 -2.157 8.289 559 HB3 PRO 74 2HB PRO 74 13.101 -3.542 9.392 560 HG2 PRO 74 1HG PRO 74 12.093 -3.302 6.569 561 HG3 PRO 74 2HG PRO 74 13.008 -4.657 7.326 562 HD2 PRO 74 1HD PRO 74 10.382 -4.841 7.150 563 HD3 PRO 74 2HD PRO 74 11.148 -5.233 8.709 564 HA PRO 75 HA PRO 75 10.348 1.673 8.760 565 HB2 PRO 75 1HB PRO 75 12.652 3.138 9.283 566 HB3 PRO 75 2HB PRO 75 11.413 2.676 10.486 567 HG2 PRO 75 1HG PRO 75 14.038 1.307 9.905 568 HG3 PRO 75 2HG PRO 75 13.297 1.684 11.492 569 HD2 PRO 75 1HD PRO 75 13.117 -0.790 10.401 570 HD3 PRO 75 2HD PRO 75 11.732 -0.082 11.280 571 H GLU 76 H GLU 76 13.268 0.127 7.518 572 HA GLU 76 HA GLU 76 13.474 2.048 5.296 573 HB2 GLU 76 1HB GLU 76 15.314 -0.287 5.944 574 HB3 GLU 76 2HB GLU 76 15.643 1.135 4.936 575 HG2 GLU 76 1HG GLU 76 15.082 2.490 7.120 576 HG3 GLU 76 2HG GLU 76 15.350 0.956 7.942 577 H GLY 77 H GLY 77 11.959 -0.906 5.935 578 HA2 GLY 77 1HA GLY 77 12.141 -2.114 3.295 579 HA3 GLY 77 2HA GLY 77 11.016 -2.559 4.587 580 H LEU 78 H LEU 78 10.071 0.273 4.860 581 HA LEU 78 HA LEU 78 8.005 0.532 2.893 582 HB2 LEU 78 1HB LEU 78 7.862 1.745 4.966 583 HB3 LEU 78 2HB LEU 78 9.427 2.521 4.710 584 HG LEU 78 HG LEU 78 8.503 3.854 2.844 585 HD11 LEU 78 1HD1 LEU 78 6.763 2.502 1.920 586 HD12 LEU 78 2HD1 LEU 78 5.950 3.908 2.639 587 HD13 LEU 78 3HD1 LEU 78 5.934 2.357 3.493 588 HD21 LEU 78 3HD2 LEU 78 7.098 5.325 4.206 589 HD22 LEU 78 1HD2 LEU 78 8.447 4.709 5.160 590 HD23 LEU 78 2HD2 LEU 78 6.828 4.017 5.386 591 H ASN 79 H ASN 79 11.099 2.305 3.242 592 HA ASN 79 HA ASN 79 10.996 3.666 0.890 593 HB2 ASN 79 1HB ASN 79 13.478 2.801 2.422 594 HB3 ASN 79 2HB ASN 79 13.399 4.094 1.229 595 HD21 ASN 79 1HD2 ASN 79 14.098 5.780 2.895 596 HD22 ASN 79 2HD2 ASN 79 12.933 6.217 4.073 597 H ASP 80 H ASP 80 11.871 0.289 1.198 598 HA ASP 80 HA ASP 80 13.233 0.053 -1.381 599 HB2 ASP 80 1HB ASP 80 13.633 -1.511 0.457 600 HB3 ASP 80 2HB ASP 80 11.950 -2.023 0.410 601 H LEU 81 H LEU 81 9.900 -0.568 -0.120 602 HA LEU 81 HA LEU 81 8.824 -1.385 -2.669 603 HB2 LEU 81 1HB LEU 81 7.581 -0.281 -0.124 604 HB3 LEU 81 2HB LEU 81 6.621 -0.574 -1.561 605 HG LEU 81 HG LEU 81 8.274 -2.740 -0.198 606 HD11 LEU 81 1HD1 LEU 81 6.051 -3.530 0.669 607 HD12 LEU 81 2HD1 LEU 81 5.318 -2.042 0.042 608 HD13 LEU 81 3HD1 LEU 81 6.542 -1.948 1.319 609 HD21 LEU 81 3HD2 LEU 81 6.783 -4.270 -1.497 610 HD22 LEU 81 1HD2 LEU 81 7.798 -3.288 -2.542 611 HD23 LEU 81 2HD2 LEU 81 6.077 -2.861 -2.321 612 H ILE 82 H ILE 82 9.040 1.782 -1.005 613 HA ILE 82 HA ILE 82 7.855 3.357 -3.066 614 HB ILE 82 HB ILE 82 10.148 4.172 -1.253 615 HG12 ILE 82 1HG1 ILE 82 8.306 3.394 0.166 616 HG13 ILE 82 2HG1 ILE 82 8.605 5.089 0.311 617 HG21 ILE 82 1HG2 ILE 82 8.108 5.842 -2.784 618 HG22 ILE 82 2HG2 ILE 82 9.226 6.474 -1.550 619 HG23 ILE 82 3HG2 ILE 82 9.862 5.774 -3.012 620 HD11 ILE 82 3HD1 ILE 82 6.229 4.686 0.373 621 HD12 ILE 82 1HD1 ILE 82 6.553 5.480 -1.170 622 HD13 ILE 82 2HD1 ILE 82 6.298 3.715 -1.099 623 H ARG 83 H ARG 83 11.272 2.169 -2.691 624 HA ARG 83 HA ARG 83 12.487 3.534 -4.705 625 HB2 ARG 83 1HB ARG 83 13.151 1.497 -3.020 626 HB3 ARG 83 2HB ARG 83 13.180 0.628 -4.535 627 HG2 ARG 83 1HG ARG 83 14.618 3.278 -4.092 628 HG3 ARG 83 2HG ARG 83 15.285 1.725 -3.625 629 HD2 ARG 83 1HD ARG 83 15.056 0.942 -6.011 630 HD3 ARG 83 2HD ARG 83 14.536 2.586 -6.442 631 HE ARG 83 HE ARG 83 17.072 2.341 -4.968 632 HH11 ARG 83 1HH1 ARG 83 15.652 2.623 -8.190 633 HH12 ARG 83 2HH1 ARG 83 17.056 3.315 -8.921 634 HH21 ARG 83 1HH2 ARG 83 18.932 3.092 -5.873 635 HH22 ARG 83 2HH2 ARG 83 18.969 3.772 -7.456 636 H ALA 84 H ALA 84 10.427 0.604 -5.135 637 HA ALA 84 HA ALA 84 11.104 0.356 -7.926 638 HB1 ALA 84 1HB ALA 84 10.184 -1.519 -6.539 639 HB2 ALA 84 2HB ALA 84 8.589 -0.704 -6.599 640 HB3 ALA 84 3HB ALA 84 9.385 -1.275 -8.088 641 H HIS 85 H HIS 85 8.348 1.974 -6.223 642 HA HIS 85 HA HIS 85 6.929 2.801 -8.519 643 HB2 HIS 85 1HB HIS 85 6.169 2.791 -6.161 644 HB3 HIS 85 2HB HIS 85 7.160 4.203 -5.824 645 HD1 HIS 85 1HD HIS 85 3.965 4.141 -5.452 646 HD2 HIS 85 2HD HIS 85 6.094 5.798 -8.675 647 HE1 HIS 85 1HE HIS 85 2.390 5.756 -6.606 648 H CYS 86 H CYS 86 9.538 4.370 -6.631 649 HA CYS 86 HA CYS 86 9.743 6.658 -8.345 650 HB2 CYS 86 1HB CYS 86 12.136 5.315 -6.993 651 HB3 CYS 86 2HB CYS 86 11.947 7.009 -7.482 652 HG CYS 86 HG CYS 86 10.224 5.373 -5.169 653 H ALA 87 H ALA 87 11.336 3.442 -8.574 654 HA ALA 87 HA ALA 87 13.041 4.397 -10.645 655 HB1 ALA 87 1HB ALA 87 13.618 2.463 -9.188 656 HB2 ALA 87 2HB ALA 87 12.273 1.524 -9.888 657 HB3 ALA 87 3HB ALA 87 13.653 1.993 -10.902 658 H THR 88 H THR 88 9.692 3.078 -10.776 659 HA THR 88 HA THR 88 9.985 2.432 -13.583 660 HB THR 88 HB THR 88 8.416 1.208 -12.382 661 HG1 THR 88 1HG THR 88 6.485 1.749 -13.618 662 HG21 THR 88 3HG2 THR 88 7.651 2.675 -10.617 663 HG22 THR 88 1HG2 THR 88 6.283 2.034 -11.507 664 HG23 THR 88 2HG2 THR 88 6.790 3.699 -11.796 665 H LEU 89 H LEU 89 8.921 5.295 -11.675 666 HA LEU 89 HA LEU 89 8.202 6.687 -14.172 667 HB2 LEU 89 1HB LEU 89 8.200 7.667 -11.310 668 HB3 LEU 89 2HB LEU 89 7.418 8.445 -12.690 669 HG LEU 89 HG LEU 89 6.677 5.787 -11.412 670 HD11 LEU 89 1HD1 LEU 89 5.216 8.437 -11.424 671 HD12 LEU 89 2HD1 LEU 89 5.982 7.604 -10.045 672 HD13 LEU 89 3HD1 LEU 89 4.576 6.892 -10.817 673 HD21 LEU 89 3HD2 LEU 89 4.694 5.768 -12.907 674 HD22 LEU 89 1HD2 LEU 89 6.203 5.642 -13.817 675 HD23 LEU 89 2HD2 LEU 89 5.332 7.194 -13.740 676 H GLY 90 H GLY 90 10.404 7.358 -11.429 677 HA2 GLY 90 1HA GLY 90 12.770 7.700 -12.516 678 HA3 GLY 90 2HA GLY 90 12.039 9.220 -13.034 679 H HIS 91 H HIS 91 10.994 8.133 -9.852 680 HA HIS 91 HA HIS 91 12.009 10.830 -9.107 681 HB2 HIS 91 1HB HIS 91 9.978 11.208 -8.005 682 HB3 HIS 91 2HB HIS 91 9.654 10.556 -9.603 683 HD1 HIS 91 1HD HIS 91 9.643 9.158 -5.974 684 HD2 HIS 91 2HD HIS 91 7.737 8.912 -9.688 685 HE1 HIS 91 1HE HIS 91 7.739 7.466 -5.683 686 H CYS 92 H CYS 92 13.963 9.125 -8.368 687 HA CYS 92 HA CYS 92 13.559 7.941 -5.768 688 HB2 CYS 92 1HB CYS 92 16.042 8.682 -7.370 689 HB3 CYS 92 2HB CYS 92 16.138 7.954 -5.761 690 HG CYS 92 HG CYS 92 15.069 5.768 -6.196 691 H CYS 93 H CYS 93 15.036 8.649 -3.858 692 HA CYS 93 HA CYS 93 13.675 10.591 -2.574 693 HB2 CYS 93 1HB CYS 93 16.563 10.370 -1.847 694 HB3 CYS 93 2HB CYS 93 15.147 10.257 -0.819 695 HG CYS 93 HG CYS 93 16.471 8.105 -0.634 696 H THR 94 H THR 94 13.912 12.680 -1.953 697 HA THR 94 HA THR 94 15.977 14.345 -3.323 698 HB THR 94 HB THR 94 14.188 16.047 -3.512 699 HG1 THR 94 1HG THR 94 12.048 15.390 -2.978 700 HG21 THR 94 3HG2 THR 94 13.224 13.334 -4.525 701 HG22 THR 94 1HG2 THR 94 14.458 14.324 -5.331 702 HG23 THR 94 2HG2 THR 94 12.798 14.928 -5.202 703 H SER 95 H SER 95 13.965 13.769 -0.467 704 HA SER 95 HA SER 95 15.668 15.511 1.188 705 HB2 SER 95 1HB SER 95 12.817 15.756 0.339 706 HB3 SER 95 2HB SER 95 13.050 15.836 2.072 707 HG SER 95 HG SER 95 14.151 17.506 0.056 708 H LYS 96 H LYS 96 15.595 15.022 3.359 709 HA LYS 96 HA LYS 96 15.849 13.648 5.094 710 HB2 LYS 96 1HB LYS 96 14.001 13.077 6.271 711 HB3 LYS 96 2HB LYS 96 13.659 14.579 5.457 712 HG2 LYS 96 1HG LYS 96 12.833 11.996 4.178 713 HG3 LYS 96 2HG LYS 96 11.974 12.552 5.606 714 HD2 LYS 96 1HD LYS 96 11.865 14.847 4.070 715 HD3 LYS 96 2HD LYS 96 11.896 13.602 2.813 716 HE2 LYS 96 1HE LYS 96 9.673 13.540 3.091 717 HE3 LYS 96 2HE LYS 96 10.074 12.486 4.455 718 HZ1 LYS 96 3HZ LYS 96 10.001 14.466 5.884 719 HZ2 LYS 96 1HZ LYS 96 8.545 14.149 5.117 720 HZ3 LYS 96 2HZ LYS 96 9.482 15.380 4.612 721 H MET 97 H MET 97 14.726 11.265 5.886 722 HA MET 97 HA MET 97 16.215 9.261 4.352 723 HB2 MET 97 1HB MET 97 15.198 7.690 5.990 724 HB3 MET 97 2HB MET 97 16.131 8.981 6.724 725 HG2 MET 97 1HG MET 97 14.223 10.096 7.557 726 HG3 MET 97 2HG MET 97 13.129 9.326 6.432 727 HE1 MET 97 3HE MET 97 13.523 6.250 6.568 728 HE2 MET 97 1HE MET 97 12.340 5.881 7.840 729 HE3 MET 97 2HE MET 97 11.991 7.136 6.634 730 H HIS 98 H HIS 98 14.792 10.258 2.414 731 HA HIS 98 HA HIS 98 13.342 9.840 0.750 732 HB2 HIS 98 1HB HIS 98 13.845 7.369 1.598 733 HB3 HIS 98 2HB HIS 98 12.114 7.402 1.937 734 HD1 HIS 98 1HD HIS 98 13.913 5.749 -0.347 735 HD2 HIS 98 2HD HIS 98 11.319 9.043 -0.852 736 HE1 HIS 98 1HE HIS 98 13.045 5.613 -2.720 737 H LEU 99 H LEU 99 11.554 8.706 3.721 738 HA LEU 99 HA LEU 99 9.446 10.787 3.381 739 HB2 LEU 99 1HB LEU 99 8.973 7.791 3.447 740 HB3 LEU 99 2HB LEU 99 7.718 9.035 3.498 741 HG LEU 99 HG LEU 99 9.674 8.647 1.165 742 HD11 LEU 99 1HD1 LEU 99 6.778 7.906 1.171 743 HD12 LEU 99 2HD1 LEU 99 8.061 6.753 1.575 744 HD13 LEU 99 3HD1 LEU 99 8.003 7.537 -0.025 745 HD21 LEU 99 3HD2 LEU 99 7.139 10.339 1.409 746 HD22 LEU 99 1HD2 LEU 99 8.072 10.068 -0.087 747 HD23 LEU 99 2HD2 LEU 99 8.791 10.952 1.244 748 H HIS 100 H HIS 100 8.406 11.309 5.266 749 HA HIS 100 HA HIS 100 9.959 10.775 7.644 750 HB2 HIS 100 1HB HIS 100 9.104 12.990 7.206 751 HB3 HIS 100 2HB HIS 100 7.457 12.378 7.060 752 HD1 HIS 100 1HD HIS 100 6.343 13.782 8.891 753 HD2 HIS 100 2HD HIS 100 9.772 11.646 10.121 754 HE1 HIS 100 1HE HIS 100 6.383 13.887 11.440 755 H SER 101 H SER 101 7.010 9.468 6.267 756 HA SER 101 HA SER 101 6.615 7.378 8.086 757 HB2 SER 101 1HB SER 101 4.522 8.254 9.238 758 HB3 SER 101 2HB SER 101 6.031 8.874 9.838 759 HG SER 101 HG SER 101 5.073 10.705 9.589 760 H VAL 102 H VAL 102 3.983 6.703 7.880 761 HA VAL 102 HA VAL 102 3.714 6.165 5.092 762 HB VAL 102 HB VAL 102 1.556 5.872 7.233 763 HG11 VAL 102 1HG1 VAL 102 0.860 3.926 5.895 764 HG12 VAL 102 2HG1 VAL 102 0.819 5.400 4.943 765 HG13 VAL 102 3HG1 VAL 102 2.164 4.248 4.732 766 HG21 VAL 102 3HG2 VAL 102 2.655 3.497 7.476 767 HG22 VAL 102 1HG2 VAL 102 4.124 4.319 6.919 768 HG23 VAL 102 2HG2 VAL 102 3.293 4.857 8.382 769 H MET 103 H MET 103 2.072 8.394 7.416 770 HA MET 103 HA MET 103 0.080 9.290 5.576 771 HB2 MET 103 1HB MET 103 0.345 9.659 8.171 772 HB3 MET 103 2HB MET 103 1.328 11.043 7.686 773 HG2 MET 103 1HG MET 103 -0.765 11.934 8.008 774 HG3 MET 103 2HG MET 103 -0.697 11.752 6.268 775 HE1 MET 103 3HE MET 103 -3.140 11.668 5.510 776 HE2 MET 103 1HE MET 103 -2.265 10.263 4.854 777 HE3 MET 103 2HE MET 103 -3.912 10.070 5.499 778 H ASP 104 H ASP 104 3.436 10.265 6.115 779 HA ASP 104 HA ASP 104 3.366 12.649 4.515 780 HB2 ASP 104 1HB ASP 104 5.104 11.611 6.380 781 HB3 ASP 104 2HB ASP 104 5.946 11.157 4.911 782 H ALA 105 H ALA 105 4.159 9.228 3.995 783 HA ALA 105 HA ALA 105 5.109 9.368 1.317 784 HB1 ALA 105 1HB ALA 105 3.625 7.035 2.651 785 HB2 ALA 105 2HB ALA 105 4.726 6.951 1.289 786 HB3 ALA 105 3HB ALA 105 5.345 7.383 2.905 787 H ILE 106 H ILE 106 1.819 8.881 2.627 788 HA ILE 106 HA ILE 106 0.556 8.347 0.124 789 HB ILE 106 HB ILE 106 -0.476 9.555 2.720 790 HG12 ILE 106 1HG1 ILE 106 0.327 7.227 2.945 791 HG13 ILE 106 2HG1 ILE 106 -1.380 7.405 3.225 792 HG21 ILE 106 1HG2 ILE 106 -2.742 8.881 1.945 793 HG22 ILE 106 2HG2 ILE 106 -2.047 10.238 1.052 794 HG23 ILE 106 3HG2 ILE 106 -2.087 8.627 0.313 795 HD11 ILE 106 3HD1 ILE 106 -0.832 5.361 2.052 796 HD12 ILE 106 1HD1 ILE 106 -1.849 6.385 1.023 797 HD13 ILE 106 2HD1 ILE 106 -0.088 6.262 0.729 798 H ASP 107 H ASP 107 0.967 11.424 1.948 799 HA ASP 107 HA ASP 107 -0.343 13.024 -0.004 800 HB2 ASP 107 1HB ASP 107 0.415 13.434 2.525 801 HB3 ASP 107 2HB ASP 107 1.772 14.218 1.740 802 H PHE 108 H PHE 108 3.072 12.201 0.523 803 HA PHE 108 HA PHE 108 4.290 13.684 -1.528 804 HB2 PHE 108 1HB PHE 108 5.538 12.437 0.151 805 HB3 PHE 108 2HB PHE 108 4.927 10.917 -0.458 806 HD1 PHE 108 1HD PHE 108 7.118 13.817 -1.287 807 HD2 PHE 108 2HD PHE 108 5.961 9.778 -2.303 808 HE1 PHE 108 1HE PHE 108 9.076 13.627 -2.798 809 HE2 PHE 108 2HE PHE 108 7.910 9.619 -3.831 810 HZ PHE 108 HZ PHE 108 9.457 11.537 -4.078 811 H LEU 109 H LEU 109 2.970 10.333 -1.779 812 HA LEU 109 HA LEU 109 3.507 10.132 -4.590 813 HB2 LEU 109 1HB LEU 109 1.555 8.658 -2.783 814 HB3 LEU 109 2HB LEU 109 1.746 8.301 -4.490 815 HG LEU 109 HG LEU 109 3.879 8.003 -2.324 816 HD11 LEU 109 1HD1 LEU 109 2.128 6.282 -2.364 817 HD12 LEU 109 2HD1 LEU 109 3.696 5.615 -2.846 818 HD13 LEU 109 3HD1 LEU 109 2.450 5.967 -4.077 819 HD21 LEU 109 3HD2 LEU 109 4.143 7.609 -5.321 820 HD22 LEU 109 1HD2 LEU 109 5.270 6.917 -4.128 821 HD23 LEU 109 2HD2 LEU 109 5.098 8.667 -4.277 822 H ASN 110 H ASN 110 0.671 11.310 -2.844 823 HA ASN 110 HA ASN 110 -0.978 11.536 -5.229 824 HB2 ASN 110 1HB ASN 110 -1.049 12.672 -2.409 825 HB3 ASN 110 2HB ASN 110 -2.058 13.421 -3.649 826 HD21 ASN 110 1HD2 ASN 110 -1.379 10.317 -2.010 827 HD22 ASN 110 2HD2 ASN 110 -2.982 9.646 -2.393 828 H ALA 111 H ALA 111 1.280 13.770 -3.536 829 HA ALA 111 HA ALA 111 0.728 15.981 -5.247 830 HB1 ALA 111 1HB ALA 111 3.175 15.371 -3.566 831 HB2 ALA 111 2HB ALA 111 2.695 16.957 -4.212 832 HB3 ALA 111 3HB ALA 111 1.689 16.168 -2.980 833 H LEU 112 H LEU 112 2.590 13.093 -5.920 834 HA LEU 112 HA LEU 112 4.460 14.188 -7.793 835 HB2 LEU 112 1HB LEU 112 2.957 11.520 -7.882 836 HB3 LEU 112 2HB LEU 112 4.313 11.947 -8.895 837 HG LEU 112 HG LEU 112 4.424 11.639 -5.878 838 HD11 LEU 112 1HD1 LEU 112 5.716 9.588 -6.389 839 HD12 LEU 112 2HD1 LEU 112 5.433 9.835 -8.120 840 HD13 LEU 112 3HD1 LEU 112 4.073 9.499 -7.042 841 HD21 LEU 112 3HD2 LEU 112 6.615 12.201 -7.903 842 HD22 LEU 112 1HD2 LEU 112 6.889 11.751 -6.197 843 HD23 LEU 112 2HD2 LEU 112 6.065 13.265 -6.593 844 H GLU 113 H GLU 113 1.033 13.499 -7.954 845 HA GLU 113 HA GLU 113 0.841 13.289 -10.792 846 HB2 GLU 113 1HB GLU 113 -0.719 12.698 -8.471 847 HB3 GLU 113 2HB GLU 113 -1.639 13.918 -9.346 848 HG2 GLU 113 1HG GLU 113 -1.100 12.314 -11.414 849 HG3 GLU 113 2HG GLU 113 -0.905 11.123 -10.103 850 H GLY 114 H GLY 114 -0.451 14.601 -12.235 851 HA2 GLY 114 1HA GLY 114 -1.662 17.049 -11.412 852 HA3 GLY 114 2HA GLY 114 -0.298 17.255 -12.543 Start of MODEL 17 1 H1 MET 1 H MET 1 -7.232 -13.855 8.459 2 HA MET 1 HA MET 1 -9.203 -13.884 9.929 3 HB2 MET 1 1HB MET 1 -8.459 -10.968 10.364 4 HB3 MET 1 2HB MET 1 -9.974 -11.716 10.851 5 HG2 MET 1 1HG MET 1 -7.210 -12.508 11.830 6 HG3 MET 1 2HG MET 1 -8.377 -11.563 12.729 7 HE1 MET 1 3HE MET 1 -10.303 -12.432 14.064 8 HE2 MET 1 1HE MET 1 -11.159 -12.883 12.574 9 HE3 MET 1 2HE MET 1 -11.022 -14.042 13.918 10 H GLY 2 H GLY 2 -11.117 -13.751 8.747 11 HA2 GLY 2 1HA GLY 2 -10.921 -13.038 6.047 12 HA3 GLY 2 2HA GLY 2 -12.412 -13.402 6.918 13 H ALA 3 H ALA 3 -12.061 -11.551 4.803 14 HA ALA 3 HA ALA 3 -13.372 -9.246 5.950 15 HB1 ALA 3 1HB ALA 3 -11.941 -7.605 4.795 16 HB2 ALA 3 2HB ALA 3 -10.975 -8.505 5.980 17 HB3 ALA 3 3HB ALA 3 -10.842 -8.892 4.250 18 H GLY 4 H GLY 4 -14.353 -7.961 4.148 19 HA2 GLY 4 1HA GLY 4 -13.921 -8.746 1.450 20 HA3 GLY 4 2HA GLY 4 -15.597 -9.122 1.997 21 H GLN 5 H GLN 5 -15.110 -7.230 0.088 22 HA GLN 5 HA GLN 5 -15.244 -5.212 -0.717 23 HB2 GLN 5 1HB GLN 5 -16.843 -3.754 0.216 24 HB3 GLN 5 2HB GLN 5 -17.513 -5.349 -0.125 25 HG2 GLN 5 1HG GLN 5 -17.675 -5.802 2.267 26 HG3 GLN 5 2HG GLN 5 -16.744 -4.326 2.643 27 HE21 GLN 5 1HE2 GLN 5 -19.731 -5.253 3.227 28 HE22 GLN 5 2HE2 GLN 5 -20.571 -3.768 2.764 29 H THR 6 H THR 6 -13.728 -5.487 1.900 30 HA THR 6 HA THR 6 -12.090 -3.047 1.802 31 HB THR 6 HB THR 6 -12.350 -3.325 4.541 32 HG1 THR 6 1HG THR 6 -14.450 -4.587 3.703 33 HG21 THR 6 3HG2 THR 6 -14.064 -1.520 2.781 34 HG22 THR 6 1HG2 THR 6 -12.343 -1.246 3.107 35 HG23 THR 6 2HG2 THR 6 -13.490 -1.216 4.438 36 HA PRO 7 HA PRO 7 -8.889 -5.928 2.725 37 HB2 PRO 7 1HB PRO 7 -6.941 -4.455 3.915 38 HB3 PRO 7 2HB PRO 7 -7.532 -4.085 2.265 39 HG2 PRO 7 1HG PRO 7 -8.412 -2.804 4.886 40 HG3 PRO 7 2HG PRO 7 -7.839 -1.993 3.380 41 HD2 PRO 7 1HD PRO 7 -10.471 -2.388 3.964 42 HD3 PRO 7 2HD PRO 7 -9.871 -2.415 2.283 43 H HIS 8 H HIS 8 -7.107 -6.198 4.885 44 HA HIS 8 HA HIS 8 -8.443 -7.960 6.496 45 HB2 HIS 8 1HB HIS 8 -5.876 -7.511 6.169 46 HB3 HIS 8 2HB HIS 8 -6.019 -6.363 7.448 47 HD1 HIS 8 1HD HIS 8 -5.914 -7.320 9.883 48 HD2 HIS 8 2HD HIS 8 -6.351 -10.256 6.877 49 HE1 HIS 8 1HE HIS 8 -5.953 -9.557 11.065 50 HA PRO 9 HA PRO 9 -10.621 -5.395 9.428 51 HB2 PRO 9 1HB PRO 9 -11.205 -7.143 11.448 52 HB3 PRO 9 2HB PRO 9 -11.875 -7.265 9.788 53 HG2 PRO 9 1HG PRO 9 -9.406 -8.682 10.878 54 HG3 PRO 9 2HG PRO 9 -10.849 -9.443 10.122 55 HD2 PRO 9 1HD PRO 9 -8.727 -8.916 8.617 56 HD3 PRO 9 2HD PRO 9 -10.348 -8.523 8.005 57 H GLN 10 H GLN 10 -7.522 -5.844 9.786 58 HA GLN 10 HA GLN 10 -7.316 -4.513 12.416 59 HB2 GLN 10 1HB GLN 10 -5.464 -6.770 11.615 60 HB3 GLN 10 2HB GLN 10 -5.290 -5.686 12.989 61 HG2 GLN 10 1HG GLN 10 -7.676 -6.466 13.682 62 HG3 GLN 10 2HG GLN 10 -7.387 -7.825 12.595 63 HE21 GLN 10 1HE2 GLN 10 -4.338 -7.837 13.305 64 HE22 GLN 10 2HE2 GLN 10 -4.354 -8.503 14.905 65 H LEU 11 H LEU 11 -6.645 -4.426 9.035 66 HA LEU 11 HA LEU 11 -4.258 -2.847 9.015 67 HB2 LEU 11 1HB LEU 11 -5.183 -3.791 7.037 68 HB3 LEU 11 2HB LEU 11 -6.747 -3.043 7.268 69 HG LEU 11 HG LEU 11 -4.322 -1.258 6.900 70 HD11 LEU 11 1HD1 LEU 11 -5.882 -2.669 4.697 71 HD12 LEU 11 2HD1 LEU 11 -4.189 -2.967 5.119 72 HD13 LEU 11 3HD1 LEU 11 -4.681 -1.403 4.448 73 HD21 LEU 11 3HD2 LEU 11 -5.903 0.244 5.841 74 HD22 LEU 11 1HD2 LEU 11 -6.639 -0.233 7.365 75 HD23 LEU 11 2HD2 LEU 11 -7.193 -0.968 5.865 76 H ILE 12 H ILE 12 -4.081 -0.523 8.966 77 HA ILE 12 HA ILE 12 -6.355 1.031 10.098 78 HB ILE 12 HB ILE 12 -3.433 1.503 10.761 79 HG12 ILE 12 1HG1 ILE 12 -3.933 -0.656 11.810 80 HG13 ILE 12 2HG1 ILE 12 -3.640 0.618 12.989 81 HG21 ILE 12 1HG2 ILE 12 -4.781 3.488 11.014 82 HG22 ILE 12 2HG2 ILE 12 -5.986 2.620 11.979 83 HG23 ILE 12 3HG2 ILE 12 -4.361 2.899 12.624 84 HD11 ILE 12 3HD1 ILE 12 -5.495 -0.874 13.621 85 HD12 ILE 12 1HD1 ILE 12 -5.989 0.819 13.510 86 HD13 ILE 12 2HD1 ILE 12 -6.429 -0.328 12.228 87 H TRP 13 H TRP 13 -6.590 3.004 9.021 88 HA TRP 13 HA TRP 13 -5.117 3.271 6.507 89 HB2 TRP 13 1HB TRP 13 -7.261 5.001 7.755 90 HB3 TRP 13 2HB TRP 13 -6.743 5.064 6.110 91 HD1 TRP 13 HD TRP 13 -9.300 3.413 8.206 92 HE1 TRP 13 1HE TRP 13 -10.651 1.719 6.793 93 HE3 TRP 13 3HE TRP 13 -6.053 2.834 4.305 94 HZ2 TRP 13 2HZ TRP 13 -10.322 0.255 4.363 95 HZ3 TRP 13 3HZ TRP 13 -6.604 1.257 2.437 96 HH2 TRP 13 HH TRP 13 -8.733 -0.010 2.453 97 HA PRO 14 HA PRO 14 -4.901 5.173 5.064 98 HB2 PRO 14 1HB PRO 14 -2.683 6.003 3.874 99 HB3 PRO 14 2HB PRO 14 -4.017 7.037 4.431 100 HG2 PRO 14 1HG PRO 14 -1.386 6.407 5.769 101 HG3 PRO 14 2HG PRO 14 -2.118 8.040 5.611 102 HD2 PRO 14 1HD PRO 14 -2.329 6.523 7.886 103 HD3 PRO 14 2HD PRO 14 -3.668 7.577 7.346 104 H ALA 15 H ALA 15 -3.668 3.955 3.182 105 HA ALA 15 HA ALA 15 -1.750 1.966 4.169 106 HB1 ALA 15 1HB ALA 15 -3.066 0.141 3.109 107 HB2 ALA 15 2HB ALA 15 -3.919 0.896 4.476 108 HB3 ALA 15 3HB ALA 15 -4.372 1.295 2.792 109 H LEU 16 H LEU 16 -0.980 0.629 2.352 110 HA LEU 16 HA LEU 16 -0.661 2.023 -0.233 111 HB2 LEU 16 1HB LEU 16 1.360 1.258 1.888 112 HB3 LEU 16 2HB LEU 16 1.842 1.207 0.221 113 HG LEU 16 HG LEU 16 0.618 3.706 1.446 114 HD11 LEU 16 1HD1 LEU 16 3.568 2.966 1.183 115 HD12 LEU 16 2HD1 LEU 16 2.658 3.079 2.703 116 HD13 LEU 16 3HD1 LEU 16 2.919 4.535 1.723 117 HD21 LEU 16 3HD2 LEU 16 2.488 3.394 -0.938 118 HD22 LEU 16 1HD2 LEU 16 1.546 4.826 -0.477 119 HD23 LEU 16 2HD2 LEU 16 0.732 3.381 -1.116 120 H LEU 17 H LEU 17 -1.538 0.512 -1.583 121 HA LEU 17 HA LEU 17 -1.067 -2.380 -1.190 122 HB2 LEU 17 1HB LEU 17 -3.264 -1.362 -2.075 123 HB3 LEU 17 2HB LEU 17 -2.334 -0.829 -3.461 124 HG LEU 17 HG LEU 17 -1.834 -3.319 -3.918 125 HD11 LEU 17 1HD1 LEU 17 -2.626 -4.163 -1.731 126 HD12 LEU 17 2HD1 LEU 17 -3.489 -4.887 -3.070 127 HD13 LEU 17 3HD1 LEU 17 -4.262 -3.604 -2.107 128 HD21 LEU 17 3HD2 LEU 17 -3.935 -3.557 -5.140 129 HD22 LEU 17 1HD2 LEU 17 -3.296 -1.909 -5.294 130 HD23 LEU 17 2HD2 LEU 17 -4.645 -2.238 -4.212 131 H LYS 18 H LYS 18 0.290 -3.666 -2.838 132 HA LYS 18 HA LYS 18 1.645 -1.907 -4.815 133 HB2 LYS 18 1HB LYS 18 2.909 -2.510 -2.537 134 HB3 LYS 18 2HB LYS 18 3.290 -4.005 -3.356 135 HG2 LYS 18 1HG LYS 18 3.695 -1.269 -4.641 136 HG3 LYS 18 2HG LYS 18 4.889 -1.929 -3.522 137 HD2 LYS 18 1HD LYS 18 4.008 -3.504 -5.943 138 HD3 LYS 18 2HD LYS 18 5.225 -2.233 -6.062 139 HE2 LYS 18 1HE LYS 18 5.427 -4.448 -4.032 140 HE3 LYS 18 2HE LYS 18 5.917 -4.698 -5.728 141 HZ1 LYS 18 3HZ LYS 18 7.705 -3.968 -4.156 142 HZ2 LYS 18 1HZ LYS 18 7.042 -2.444 -4.255 143 HZ3 LYS 18 2HZ LYS 18 7.570 -3.246 -5.618 144 H GLN 19 H GLN 19 0.145 -2.713 -6.384 145 HA GLN 19 HA GLN 19 -0.826 -5.226 -6.668 146 HB2 GLN 19 1HB GLN 19 -0.290 -3.096 -8.726 147 HB3 GLN 19 2HB GLN 19 -1.122 -4.602 -9.098 148 HG2 GLN 19 1HG GLN 19 -2.197 -3.356 -6.688 149 HG3 GLN 19 2HG GLN 19 -2.206 -2.237 -8.029 150 HE21 GLN 19 1HE2 GLN 19 -3.449 -5.331 -6.854 151 HE22 GLN 19 2HE2 GLN 19 -4.832 -5.295 -7.936 152 H GLN 20 H GLN 20 0.077 -7.193 -7.122 153 HA GLN 20 HA GLN 20 2.843 -7.283 -7.394 154 HB2 GLN 20 1HB GLN 20 1.254 -8.799 -6.124 155 HB3 GLN 20 2HB GLN 20 0.916 -9.628 -7.647 156 HG2 GLN 20 1HG GLN 20 3.742 -9.167 -6.649 157 HG3 GLN 20 2HG GLN 20 2.759 -10.472 -6.014 158 HE21 GLN 20 1HE2 GLN 20 1.762 -12.011 -7.586 159 HE22 GLN 20 2HE2 GLN 20 2.593 -12.336 -9.106 160 H GLY 21 H GLY 21 3.753 -6.552 -9.173 161 HA2 GLY 21 1HA GLY 21 4.556 -7.537 -11.424 162 HA3 GLY 21 2HA GLY 21 2.846 -7.325 -11.872 163 H CYS 22 H CYS 22 2.173 -4.980 -10.557 164 HA CYS 22 HA CYS 22 2.927 -3.094 -12.501 165 HB2 CYS 22 1HB CYS 22 1.450 -3.004 -9.838 166 HB3 CYS 22 2HB CYS 22 1.499 -1.585 -10.855 167 HG CYS 22 HG CYS 22 -0.158 -2.170 -12.439 168 H ASN 23 H ASN 23 4.020 -3.378 -9.135 169 HA ASN 23 HA ASN 23 5.815 -2.573 -8.048 170 HB2 ASN 23 1HB ASN 23 6.807 -0.837 -10.314 171 HB3 ASN 23 2HB ASN 23 7.661 -1.548 -9.016 172 HD21 ASN 23 1HD2 ASN 23 6.358 -2.114 -12.126 173 HD22 ASN 23 2HD2 ASN 23 6.616 -3.802 -12.221 174 H GLU 24 H GLU 24 3.846 -0.342 -9.889 175 HA GLU 24 HA GLU 24 4.066 2.098 -8.590 176 HB2 GLU 24 1HB GLU 24 2.677 1.434 -10.605 177 HB3 GLU 24 2HB GLU 24 1.581 0.626 -9.495 178 HG2 GLU 24 1HG GLU 24 1.632 3.088 -8.332 179 HG3 GLU 24 2HG GLU 24 2.078 3.556 -9.970 180 H LEU 25 H LEU 25 3.903 2.504 -6.381 181 HA LEU 25 HA LEU 25 2.363 0.786 -4.556 182 HB2 LEU 25 1HB LEU 25 3.987 3.339 -4.291 183 HB3 LEU 25 2HB LEU 25 2.787 2.968 -3.091 184 HG LEU 25 HG LEU 25 5.007 2.266 -2.368 185 HD11 LEU 25 1HD1 LEU 25 3.169 -0.106 -2.752 186 HD12 LEU 25 2HD1 LEU 25 3.011 1.143 -1.538 187 HD13 LEU 25 3HD1 LEU 25 4.425 0.091 -1.514 188 HD21 LEU 25 3HD2 LEU 25 6.209 1.640 -4.297 189 HD22 LEU 25 1HD2 LEU 25 5.013 0.451 -4.789 190 HD23 LEU 25 2HD2 LEU 25 5.999 0.160 -3.353 191 H LEU 26 H LEU 26 0.370 1.183 -3.943 192 HA LEU 26 HA LEU 26 -1.186 3.285 -5.319 193 HB2 LEU 26 1HB LEU 26 -1.625 0.547 -5.268 194 HB3 LEU 26 2HB LEU 26 -2.730 1.127 -4.045 195 HG LEU 26 HG LEU 26 -3.883 0.948 -6.076 196 HD11 LEU 26 1HD1 LEU 26 -4.523 2.796 -4.582 197 HD12 LEU 26 2HD1 LEU 26 -4.842 3.174 -6.285 198 HD13 LEU 26 3HD1 LEU 26 -3.445 3.895 -5.467 199 HD21 LEU 26 3HD2 LEU 26 -3.359 2.253 -8.091 200 HD22 LEU 26 1HD2 LEU 26 -2.047 1.149 -7.689 201 HD23 LEU 26 2HD2 LEU 26 -1.886 2.875 -7.338 202 HA PRO 27 HA PRO 27 -1.197 4.689 -0.886 203 HB2 PRO 27 1HB PRO 27 -1.661 7.334 -1.368 204 HB3 PRO 27 2HB PRO 27 -0.033 6.617 -1.591 205 HG2 PRO 27 1HG PRO 27 -2.157 7.069 -3.694 206 HG3 PRO 27 2HG PRO 27 -0.452 7.592 -3.742 207 HD2 PRO 27 1HD PRO 27 -1.312 5.319 -4.936 208 HD3 PRO 27 2HD PRO 27 0.280 5.355 -4.121 209 H LEU 28 H LEU 28 -3.049 4.971 0.386 210 HA LEU 28 HA LEU 28 -5.648 5.541 -0.914 211 HB2 LEU 28 1HB LEU 28 -5.021 3.318 1.093 212 HB3 LEU 28 2HB LEU 28 -6.600 3.765 0.606 213 HG LEU 28 HG LEU 28 -4.704 3.038 -1.627 214 HD11 LEU 28 1HD1 LEU 28 -5.923 0.907 0.100 215 HD12 LEU 28 2HD1 LEU 28 -4.196 1.359 0.083 216 HD13 LEU 28 3HD1 LEU 28 -4.949 0.722 -1.380 217 HD21 LEU 28 3HD2 LEU 28 -6.705 2.051 -2.598 218 HD22 LEU 28 1HD2 LEU 28 -7.020 3.725 -2.121 219 HD23 LEU 28 2HD2 LEU 28 -7.607 2.381 -1.105 220 H ARG 29 H ARG 29 -6.299 7.433 0.158 221 HA ARG 29 HA ARG 29 -5.029 8.201 2.685 222 HB2 ARG 29 1HB ARG 29 -7.317 9.437 1.046 223 HB3 ARG 29 2HB ARG 29 -6.618 10.240 2.437 224 HG2 ARG 29 1HG ARG 29 -4.796 11.008 1.320 225 HG3 ARG 29 2HG ARG 29 -4.683 9.607 0.254 226 HD2 ARG 29 1HD ARG 29 -6.606 10.332 -1.028 227 HD3 ARG 29 2HD ARG 29 -6.945 11.659 0.087 228 HE ARG 29 HE ARG 29 -4.983 11.537 -2.080 229 HH11 ARG 29 1HH1 ARG 29 -5.692 13.371 0.937 230 HH12 ARG 29 2HH1 ARG 29 -4.955 14.795 0.339 231 HH21 ARG 29 1HH2 ARG 29 -4.397 13.541 -2.941 232 HH22 ARG 29 2HH2 ARG 29 -4.274 14.937 -1.935 233 H THR 30 H THR 30 -8.349 7.028 1.946 234 HA THR 30 HA THR 30 -8.488 6.329 4.685 235 HB THR 30 HB THR 30 -9.319 8.603 4.936 236 HG1 THR 30 1HG THR 30 -10.908 8.057 6.263 237 HG21 THR 30 3HG2 THR 30 -11.522 9.288 4.176 238 HG22 THR 30 1HG2 THR 30 -11.743 7.764 3.303 239 HG23 THR 30 2HG2 THR 30 -10.505 8.929 2.769 240 H ASN 31 H ASN 31 -10.879 5.378 4.940 241 HA ASN 31 HA ASN 31 -10.891 3.001 3.425 242 HB2 ASN 31 1HB ASN 31 -11.899 3.734 5.774 243 HB3 ASN 31 2HB ASN 31 -13.340 4.082 4.851 244 HD21 ASN 31 1HD2 ASN 31 -13.844 2.096 3.150 245 HD22 ASN 31 2HD2 ASN 31 -13.758 0.533 3.876 246 H ASP 32 H ASP 32 -12.428 6.075 2.732 247 HA ASP 32 HA ASP 32 -14.295 5.183 0.722 248 HB2 ASP 32 1HB ASP 32 -12.847 7.853 0.894 249 HB3 ASP 32 2HB ASP 32 -14.303 7.512 -0.038 250 H ASP 33 H ASP 33 -10.794 5.770 0.754 251 HA ASP 33 HA ASP 33 -10.516 6.248 -2.069 252 HB2 ASP 33 1HB ASP 33 -8.988 6.877 -0.001 253 HB3 ASP 33 2HB ASP 33 -8.242 5.315 -0.347 254 H TRP 34 H TRP 34 -10.401 3.446 0.061 255 HA TRP 34 HA TRP 34 -9.549 1.515 -1.867 256 HB2 TRP 34 1HB TRP 34 -9.563 1.161 0.536 257 HB3 TRP 34 2HB TRP 34 -11.325 1.228 0.593 258 HD1 TRP 34 HD TRP 34 -12.693 -0.885 -0.362 259 HE1 TRP 34 1HE TRP 34 -12.055 -3.383 -0.705 260 HE3 TRP 34 3HE TRP 34 -7.632 -0.517 0.101 261 HZ2 TRP 34 2HZ TRP 34 -9.675 -4.975 -0.698 262 HZ3 TRP 34 3HZ TRP 34 -6.197 -2.509 -0.082 263 HH2 TRP 34 HH TRP 34 -7.195 -4.761 -0.487 264 H GLN 35 H GLN 35 -12.695 3.021 -1.269 265 HA GLN 35 HA GLN 35 -14.198 1.274 -3.039 266 HB2 GLN 35 1HB GLN 35 -14.826 4.170 -2.349 267 HB3 GLN 35 2HB GLN 35 -15.880 3.054 -3.184 268 HG2 GLN 35 1HG GLN 35 -14.944 2.139 -0.521 269 HG3 GLN 35 2HG GLN 35 -15.967 3.550 -0.510 270 HE21 GLN 35 1HE2 GLN 35 -18.220 3.348 -1.000 271 HE22 GLN 35 2HE2 GLN 35 -18.955 1.813 -1.345 272 H ARG 36 H ARG 36 -12.420 4.381 -3.576 273 HA ARG 36 HA ARG 36 -13.248 4.806 -6.272 274 HB2 ARG 36 1HB ARG 36 -10.704 5.537 -4.755 275 HB3 ARG 36 2HB ARG 36 -10.810 5.763 -6.479 276 HG2 ARG 36 1HG ARG 36 -11.334 7.821 -5.608 277 HG3 ARG 36 2HG ARG 36 -12.875 7.159 -6.154 278 HD2 ARG 36 1HD ARG 36 -13.565 6.716 -3.859 279 HD3 ARG 36 2HD ARG 36 -11.923 7.002 -3.272 280 HE ARG 36 HE ARG 36 -12.175 9.271 -3.377 281 HH11 ARG 36 1HH1 ARG 36 -15.029 7.782 -4.912 282 HH12 ARG 36 2HH1 ARG 36 -15.728 9.296 -5.354 283 HH21 ARG 36 1HH2 ARG 36 -13.099 11.219 -3.918 284 HH22 ARG 36 2HH2 ARG 36 -14.549 11.285 -4.906 285 H PHE 37 H PHE 37 -10.531 2.834 -5.013 286 HA PHE 37 HA PHE 37 -9.553 2.015 -7.528 287 HB2 PHE 37 1HB PHE 37 -8.571 1.579 -5.187 288 HB3 PHE 37 2HB PHE 37 -9.816 0.352 -4.982 289 HD1 PHE 37 1HD PHE 37 -9.848 -1.643 -6.684 290 HD2 PHE 37 2HD PHE 37 -6.437 0.890 -5.910 291 HE1 PHE 37 1HE PHE 37 -8.328 -3.380 -7.617 292 HE2 PHE 37 2HE PHE 37 -4.957 -0.847 -6.897 293 HZ PHE 37 HZ PHE 37 -5.922 -2.966 -7.763 294 H CYS 38 H CYS 38 -12.169 0.382 -5.534 295 HA CYS 38 HA CYS 38 -12.433 -1.657 -7.633 296 HB2 CYS 38 1HB CYS 38 -14.066 -2.616 -6.259 297 HB3 CYS 38 2HB CYS 38 -12.807 -1.986 -5.176 298 HG CYS 38 HG CYS 38 -15.629 -0.468 -5.972 299 H ALA 39 H ALA 39 -13.658 1.462 -7.285 300 HA ALA 39 HA ALA 39 -15.853 1.140 -9.185 301 HB1 ALA 39 1HB ALA 39 -15.882 3.551 -9.355 302 HB2 ALA 39 2HB ALA 39 -15.705 3.113 -7.640 303 HB3 ALA 39 3HB ALA 39 -14.303 3.694 -8.574 304 H ASP 40 H ASP 40 -12.311 1.833 -9.489 305 HA ASP 40 HA ASP 40 -12.758 1.986 -12.413 306 HB2 ASP 40 1HB ASP 40 -11.753 3.919 -10.767 307 HB3 ASP 40 2HB ASP 40 -10.271 3.115 -11.203 308 H SER 41 H SER 41 -11.156 0.209 -10.222 309 HA SER 41 HA SER 41 -9.611 -1.431 -12.157 310 HB2 SER 41 1HB SER 41 -8.639 -0.411 -9.460 311 HB3 SER 41 2HB SER 41 -7.753 -1.507 -10.530 312 HG SER 41 HG SER 41 -7.693 1.092 -10.494 313 H LYS 42 H LYS 42 -12.186 -1.477 -10.435 314 HA LYS 42 HA LYS 42 -13.450 -3.062 -9.368 315 HB2 LYS 42 1HB LYS 42 -13.045 -3.262 -11.946 316 HB3 LYS 42 2HB LYS 42 -12.411 -4.848 -11.532 317 HG2 LYS 42 1HG LYS 42 -15.168 -3.684 -10.975 318 HG3 LYS 42 2HG LYS 42 -14.803 -4.891 -12.196 319 HD2 LYS 42 1HD LYS 42 -14.642 -5.326 -9.183 320 HD3 LYS 42 2HD LYS 42 -16.001 -5.773 -10.179 321 HE2 LYS 42 1HE LYS 42 -13.228 -6.837 -10.800 322 HE3 LYS 42 2HE LYS 42 -14.252 -7.578 -9.570 323 HZ1 LYS 42 3HZ LYS 42 -15.945 -7.927 -11.213 324 HZ2 LYS 42 1HZ LYS 42 -14.556 -8.680 -11.649 325 HZ3 LYS 42 2HZ LYS 42 -15.003 -7.306 -12.418 326 H HIS 43 H HIS 43 -10.950 -3.023 -8.103 327 HA HIS 43 HA HIS 43 -9.888 -4.114 -6.402 328 HB2 HIS 43 1HB HIS 43 -10.936 -5.501 -4.923 329 HB3 HIS 43 2HB HIS 43 -12.002 -4.159 -5.319 330 HD1 HIS 43 1HD HIS 43 -14.238 -5.361 -4.648 331 HD2 HIS 43 2HD HIS 43 -11.844 -7.513 -7.353 332 HE1 HIS 43 1HE HIS 43 -15.587 -7.434 -5.356 333 H LEU 44 H LEU 44 -9.397 -4.932 -9.119 334 HA LEU 44 HA LEU 44 -8.619 -7.681 -9.129 335 HB2 LEU 44 1HB LEU 44 -7.994 -5.295 -10.709 336 HB3 LEU 44 2HB LEU 44 -6.564 -6.270 -10.405 337 HG LEU 44 HG LEU 44 -9.181 -7.360 -11.529 338 HD11 LEU 44 1HD1 LEU 44 -8.021 -5.836 -13.033 339 HD12 LEU 44 2HD1 LEU 44 -7.912 -7.506 -13.629 340 HD13 LEU 44 3HD1 LEU 44 -6.507 -6.756 -12.819 341 HD21 LEU 44 3HD2 LEU 44 -7.678 -9.346 -12.113 342 HD22 LEU 44 1HD2 LEU 44 -8.047 -9.194 -10.401 343 HD23 LEU 44 2HD2 LEU 44 -6.464 -8.649 -11.011 344 H LEU 45 H LEU 45 -7.382 -8.605 -7.636 345 HA LEU 45 HA LEU 45 -5.147 -7.211 -6.305 346 HB2 LEU 45 1HB LEU 45 -7.511 -8.612 -4.927 347 HB3 LEU 45 2HB LEU 45 -5.979 -8.228 -4.134 348 HG LEU 45 HG LEU 45 -7.878 -6.135 -5.282 349 HD11 LEU 45 1HD1 LEU 45 -8.907 -7.286 -3.410 350 HD12 LEU 45 2HD1 LEU 45 -8.456 -5.641 -2.960 351 HD13 LEU 45 3HD1 LEU 45 -7.471 -7.017 -2.410 352 HD21 LEU 45 3HD2 LEU 45 -5.168 -5.978 -4.097 353 HD22 LEU 45 1HD2 LEU 45 -6.323 -4.778 -3.538 354 HD23 LEU 45 2HD2 LEU 45 -5.968 -4.933 -5.278 355 H GLN 46 H GLN 46 -3.464 -8.665 -6.621 356 HA GLN 46 HA GLN 46 -4.192 -11.454 -7.383 357 HB2 GLN 46 1HB GLN 46 -2.866 -11.431 -9.175 358 HB3 GLN 46 2HB GLN 46 -3.779 -9.947 -9.257 359 HG2 GLN 46 1HG GLN 46 -1.339 -9.339 -7.868 360 HG3 GLN 46 2HG GLN 46 -0.987 -10.411 -9.214 361 HE21 GLN 46 1HE2 GLN 46 -2.248 -7.253 -8.245 362 HE22 GLN 46 2HE2 GLN 46 -2.476 -6.539 -9.841 363 H TYR 47 H TYR 47 -2.335 -13.023 -7.130 364 HA TYR 47 HA TYR 47 -1.941 -12.869 -4.327 365 HB2 TYR 47 1HB TYR 47 -0.619 -14.807 -6.245 366 HB3 TYR 47 2HB TYR 47 -0.828 -15.025 -4.502 367 HD1 TYR 47 1HD TYR 47 -3.647 -14.217 -4.017 368 HD2 TYR 47 2HD TYR 47 -1.910 -16.552 -7.223 369 HE1 TYR 47 1HE TYR 47 -5.859 -15.135 -4.533 370 HE2 TYR 47 2HE TYR 47 -4.129 -17.586 -7.639 371 HH TYR 47 HH TYR 47 -6.228 -17.904 -6.587 372 H GLY 48 H GLY 48 -0.478 -12.048 -3.119 373 HA2 GLY 48 1HA GLY 48 1.842 -11.619 -2.585 374 HA3 GLY 48 2HA GLY 48 2.211 -11.469 -4.246 375 H ASP 49 H ASP 49 -0.692 -9.814 -3.933 376 HA ASP 49 HA ASP 49 0.246 -7.431 -4.772 377 HB2 ASP 49 1HB ASP 49 -2.299 -8.499 -3.867 378 HB3 ASP 49 2HB ASP 49 -2.114 -6.897 -3.225 379 H LYS 50 H LYS 50 -0.008 -8.329 -1.486 380 HA LYS 50 HA LYS 50 0.548 -7.506 0.479 381 HB2 LYS 50 1HB LYS 50 2.696 -7.530 -0.502 382 HB3 LYS 50 2HB LYS 50 2.454 -5.778 -1.005 383 HG2 LYS 50 1HG LYS 50 2.934 -4.946 1.016 384 HG3 LYS 50 2HG LYS 50 2.411 -6.354 1.924 385 HD2 LYS 50 1HD LYS 50 4.905 -6.380 0.228 386 HD3 LYS 50 2HD LYS 50 4.904 -5.900 1.930 387 HE2 LYS 50 1HE LYS 50 4.111 -8.073 2.631 388 HE3 LYS 50 2HE LYS 50 3.770 -8.557 0.976 389 HZ1 LYS 50 3HZ LYS 50 6.475 -8.078 2.082 390 HZ2 LYS 50 1HZ LYS 50 6.125 -8.468 0.503 391 HZ3 LYS 50 2HZ LYS 50 5.819 -9.536 1.678 392 H LEU 51 H LEU 51 0.469 -5.826 2.053 393 HA LEU 51 HA LEU 51 -0.474 -3.240 1.154 394 HB2 LEU 51 1HB LEU 51 -2.077 -5.322 2.633 395 HB3 LEU 51 2HB LEU 51 -2.169 -3.743 3.353 396 HG LEU 51 HG LEU 51 -2.784 -4.318 0.432 397 HD11 LEU 51 1HD1 LEU 51 -5.153 -4.119 1.072 398 HD12 LEU 51 2HD1 LEU 51 -4.679 -4.033 2.780 399 HD13 LEU 51 3HD1 LEU 51 -4.353 -5.504 1.796 400 HD21 LEU 51 3HD2 LEU 51 -2.183 -1.945 0.897 401 HD22 LEU 51 1HD2 LEU 51 -3.464 -1.883 2.130 402 HD23 LEU 51 2HD2 LEU 51 -3.860 -2.121 0.404 403 H VAL 52 H VAL 52 0.211 -1.600 2.505 404 HA VAL 52 HA VAL 52 1.479 -2.292 5.090 405 HB VAL 52 HB VAL 52 2.724 -0.632 2.869 406 HG11 VAL 52 1HG1 VAL 52 4.602 -0.187 4.319 407 HG12 VAL 52 2HG1 VAL 52 3.139 0.385 5.136 408 HG13 VAL 52 3HG1 VAL 52 3.903 -1.140 5.641 409 HG21 VAL 52 3HG2 VAL 52 3.123 -2.985 2.485 410 HG22 VAL 52 1HG2 VAL 52 4.609 -2.322 3.203 411 HG23 VAL 52 2HG2 VAL 52 3.495 -3.261 4.213 412 H ASP 53 H ASP 53 0.679 -1.098 6.612 413 HA ASP 53 HA ASP 53 -1.020 1.279 6.250 414 HB2 ASP 53 1HB ASP 53 -1.840 0.656 8.531 415 HB3 ASP 53 2HB ASP 53 -2.176 -0.570 7.319 416 H SER 54 H SER 54 -0.984 2.644 8.148 417 HA SER 54 HA SER 54 1.478 3.899 8.716 418 HB2 SER 54 1HB SER 54 -1.225 4.401 9.217 419 HB3 SER 54 2HB SER 54 -0.560 4.220 10.833 420 HG SER 54 HG SER 54 1.098 5.812 10.123 421 H ASN 55 H ASN 55 0.986 0.808 9.799 422 HA ASN 55 HA ASN 55 2.296 1.217 12.442 423 HB2 ASN 55 1HB ASN 55 0.139 -0.795 11.746 424 HB3 ASN 55 2HB ASN 55 1.039 -0.711 13.253 425 HD21 ASN 55 1HD2 ASN 55 -1.205 1.211 11.206 426 HD22 ASN 55 2HD2 ASN 55 -1.893 2.105 12.570 427 H PHE 56 H PHE 56 2.724 0.174 9.326 428 HA PHE 56 HA PHE 56 4.312 -0.984 8.306 429 HB2 PHE 56 1HB PHE 56 5.657 -0.764 10.977 430 HB3 PHE 56 2HB PHE 56 6.422 -1.455 9.601 431 HD1 PHE 56 2HD PHE 56 4.501 1.781 10.398 432 HD2 PHE 56 1HD PHE 56 7.788 -0.093 8.287 433 HE1 PHE 56 2HE PHE 56 5.268 3.970 9.643 434 HE2 PHE 56 1HE PHE 56 8.474 2.109 7.456 435 HZ PHE 56 HZ PHE 56 7.279 4.159 8.165 436 H HIS 57 H HIS 57 2.094 -2.468 9.883 437 HA HIS 57 HA HIS 57 2.986 -5.253 10.014 438 HB2 HIS 57 1HB HIS 57 0.190 -4.243 9.403 439 HB3 HIS 57 2HB HIS 57 0.690 -5.771 10.100 440 HD1 HIS 57 1HD HIS 57 -1.194 -3.135 11.122 441 HD2 HIS 57 2HD HIS 57 2.494 -4.637 12.498 442 HE1 HIS 57 1HE HIS 57 -1.100 -2.618 13.643 443 H CYS 58 H CYS 58 3.832 -6.143 8.037 444 HA CYS 58 HA CYS 58 2.569 -5.276 5.509 445 HB2 CYS 58 1HB CYS 58 4.509 -7.549 6.192 446 HB3 CYS 58 2HB CYS 58 3.904 -7.181 4.555 447 HG CYS 58 HG CYS 58 5.438 -5.080 6.593 448 H PHE 59 H PHE 59 0.926 -6.247 4.519 449 HA PHE 59 HA PHE 59 0.053 -8.896 5.505 450 HB2 PHE 59 1HB PHE 59 -1.665 -6.623 4.490 451 HB3 PHE 59 2HB PHE 59 -2.275 -8.229 4.754 452 HD1 PHE 59 2HD PHE 59 -1.573 -9.166 7.269 453 HD2 PHE 59 1HD PHE 59 -1.915 -5.066 6.127 454 HE1 PHE 59 2HE PHE 59 -1.604 -8.506 9.674 455 HE2 PHE 59 1HE PHE 59 -2.139 -4.408 8.540 456 HZ PHE 59 HZ PHE 59 -1.828 -6.104 10.297 457 H VAL 60 H VAL 60 -0.682 -10.350 3.646 458 HA VAL 60 HA VAL 60 -0.677 -9.143 1.002 459 HB VAL 60 HB VAL 60 1.478 -9.646 1.129 460 HG11 VAL 60 1HG1 VAL 60 1.635 -10.997 3.108 461 HG12 VAL 60 2HG1 VAL 60 1.146 -12.426 2.143 462 HG13 VAL 60 3HG1 VAL 60 2.661 -11.494 1.746 463 HG21 VAL 60 3HG2 VAL 60 0.327 -12.207 -0.078 464 HG22 VAL 60 1HG2 VAL 60 0.448 -10.627 -0.939 465 HG23 VAL 60 2HG2 VAL 60 1.918 -11.516 -0.450 466 H LEU 61 H LEU 61 -1.496 -10.476 -0.623 467 HA LEU 61 HA LEU 61 -4.036 -11.656 0.213 468 HB2 LEU 61 1HB LEU 61 -3.778 -9.995 -1.711 469 HB3 LEU 61 2HB LEU 61 -2.795 -11.161 -2.523 470 HG LEU 61 HG LEU 61 -4.851 -12.800 -2.292 471 HD11 LEU 61 1HD1 LEU 61 -6.106 -11.529 -0.598 472 HD12 LEU 61 2HD1 LEU 61 -7.038 -11.638 -2.102 473 HD13 LEU 61 3HD1 LEU 61 -6.200 -10.127 -1.688 474 HD21 LEU 61 3HD2 LEU 61 -5.995 -11.795 -4.237 475 HD22 LEU 61 1HD2 LEU 61 -4.243 -11.866 -4.415 476 HD23 LEU 61 2HD2 LEU 61 -5.015 -10.315 -4.013 477 H GLU 62 H GLU 62 -4.402 -13.848 0.221 478 HA GLU 62 HA GLU 62 -2.222 -15.616 -0.690 479 HB2 GLU 62 1HB GLU 62 -4.454 -16.227 1.198 480 HB3 GLU 62 2HB GLU 62 -3.132 -17.306 0.709 481 HG2 GLU 62 1HG GLU 62 -1.929 -14.813 1.587 482 HG3 GLU 62 2HG GLU 62 -3.150 -15.164 2.641 483 H GLU 63 H GLU 63 -3.153 -17.859 -1.554 484 HA GLU 63 HA GLU 63 -5.103 -17.480 -3.621 485 HB2 GLU 63 1HB GLU 63 -4.003 -20.075 -2.494 486 HB3 GLU 63 2HB GLU 63 -4.998 -19.905 -3.936 487 HG2 GLU 63 1HG GLU 63 -3.116 -18.112 -4.604 488 HG3 GLU 63 2HG GLU 63 -2.148 -19.046 -3.466 489 H ASP 64 H ASP 64 -5.719 -17.564 -0.372 490 HA ASP 64 HA ASP 64 -8.438 -18.708 -0.728 491 HB2 ASP 64 1HB ASP 64 -6.719 -18.194 1.619 492 HB3 ASP 64 2HB ASP 64 -8.341 -17.581 1.829 493 H ALA 65 H ALA 65 -6.935 -15.991 -1.617 494 HA ALA 65 HA ALA 65 -7.255 -13.867 -1.875 495 HB1 ALA 65 1HB ALA 65 -9.421 -13.000 -2.485 496 HB2 ALA 65 2HB ALA 65 -9.148 -14.588 -3.246 497 HB3 ALA 65 3HB ALA 65 -10.217 -14.445 -1.817 498 H HIS 66 H HIS 66 -7.641 -15.165 0.988 499 HA HIS 66 HA HIS 66 -8.517 -12.768 2.424 500 HB2 HIS 66 1HB HIS 66 -8.172 -13.910 4.411 501 HB3 HIS 66 2HB HIS 66 -9.012 -14.988 3.331 502 HD1 HIS 66 1HD HIS 66 -8.238 -17.091 4.794 503 HD2 HIS 66 2HD HIS 66 -5.059 -14.789 3.149 504 HE1 HIS 66 1HE HIS 66 -6.096 -18.313 5.316 505 H TRP 67 H TRP 67 -6.895 -12.049 4.208 506 HA TRP 67 HA TRP 67 -4.360 -11.454 2.812 507 HB2 TRP 67 1HB TRP 67 -6.174 -9.752 4.533 508 HB3 TRP 67 2HB TRP 67 -4.495 -9.352 4.241 509 HD1 TRP 67 HD TRP 67 -7.801 -9.704 2.306 510 HE1 TRP 67 1HE TRP 67 -7.528 -8.727 -0.041 511 HE3 TRP 67 3HE TRP 67 -2.881 -8.543 2.527 512 HZ2 TRP 67 2HZ TRP 67 -5.455 -7.205 -1.500 513 HZ3 TRP 67 3HZ TRP 67 -1.770 -7.364 0.681 514 HH2 TRP 67 HH TRP 67 -3.057 -6.609 -1.304 515 H HIS 68 H HIS 68 -2.526 -11.830 3.925 516 HA HIS 68 HA HIS 68 -2.806 -13.245 6.471 517 HB2 HIS 68 1HB HIS 68 -2.175 -14.716 4.705 518 HB3 HIS 68 2HB HIS 68 -1.110 -13.543 3.948 519 HD1 HIS 68 1HD HIS 68 -0.927 -16.513 6.206 520 HD2 HIS 68 2HD HIS 68 1.335 -13.117 5.143 521 HE1 HIS 68 1HE HIS 68 1.462 -16.955 6.956 522 HA PRO 69 HA PRO 69 0.071 -10.177 8.096 523 HB2 PRO 69 1HB PRO 69 0.814 -11.301 10.449 524 HB3 PRO 69 2HB PRO 69 -0.862 -10.768 10.142 525 HG2 PRO 69 1HG PRO 69 0.315 -13.529 9.943 526 HG3 PRO 69 2HG PRO 69 -1.241 -13.048 10.682 527 HD2 PRO 69 1HD PRO 69 -0.950 -14.100 8.140 528 HD3 PRO 69 2HD PRO 69 -2.282 -13.032 8.642 529 H ALA 70 H ALA 70 1.804 -9.922 6.871 530 HA ALA 70 HA ALA 70 3.828 -12.048 6.498 531 HB1 ALA 70 1HB ALA 70 4.737 -10.340 4.833 532 HB2 ALA 70 2HB ALA 70 3.166 -11.037 4.503 533 HB3 ALA 70 3HB ALA 70 3.259 -9.390 5.154 534 H ALA 71 H ALA 71 3.385 -10.467 9.060 535 HA ALA 71 HA ALA 71 4.543 -9.889 10.824 536 HB1 ALA 71 1HB ALA 71 6.983 -10.247 10.958 537 HB2 ALA 71 2HB ALA 71 6.171 -11.593 10.142 538 HB3 ALA 71 3HB ALA 71 7.075 -10.388 9.204 539 HA PRO 72 HA PRO 72 5.249 -5.596 10.269 540 HB2 PRO 72 1HB PRO 72 6.944 -4.784 12.273 541 HB3 PRO 72 2HB PRO 72 5.218 -5.237 12.540 542 HG2 PRO 72 1HG PRO 72 7.689 -6.970 12.861 543 HG3 PRO 72 2HG PRO 72 6.335 -6.762 14.016 544 HD2 PRO 72 1HD PRO 72 6.420 -8.873 12.355 545 HD3 PRO 72 2HD PRO 72 4.869 -8.048 12.651 546 H LEU 73 H LEU 73 6.968 -3.894 10.142 547 HA LEU 73 HA LEU 73 9.287 -4.836 8.544 548 HB2 LEU 73 1HB LEU 73 7.019 -3.821 7.518 549 HB3 LEU 73 2HB LEU 73 7.652 -2.310 8.105 550 HG LEU 73 HG LEU 73 9.614 -2.479 6.625 551 HD11 LEU 73 1HD1 LEU 73 9.580 -4.187 4.797 552 HD12 LEU 73 2HD1 LEU 73 8.222 -5.005 5.595 553 HD13 LEU 73 3HD1 LEU 73 9.803 -4.944 6.376 554 HD21 LEU 73 3HD2 LEU 73 6.868 -2.769 5.320 555 HD22 LEU 73 1HD2 LEU 73 8.316 -2.157 4.501 556 HD23 LEU 73 2HD2 LEU 73 7.641 -1.274 5.878 557 HA PRO 74 HA PRO 74 11.405 -1.592 11.033 558 HB2 PRO 74 1HB PRO 74 13.568 -0.952 9.471 559 HB3 PRO 74 2HB PRO 74 13.453 -2.515 10.343 560 HG2 PRO 74 1HG PRO 74 12.729 -1.938 7.459 561 HG3 PRO 74 2HG PRO 74 13.791 -3.227 8.070 562 HD2 PRO 74 1HD PRO 74 11.175 -3.673 7.506 563 HD3 PRO 74 2HD PRO 74 11.934 -4.455 8.909 564 HA PRO 75 HA PRO 75 9.824 2.192 9.304 565 HB2 PRO 75 1HB PRO 75 11.841 4.071 9.717 566 HB3 PRO 75 2HB PRO 75 10.625 3.556 10.909 567 HG2 PRO 75 1HG PRO 75 13.469 2.580 10.565 568 HG3 PRO 75 2HG PRO 75 12.603 2.939 12.090 569 HD2 PRO 75 1HD PRO 75 12.909 0.404 11.205 570 HD3 PRO 75 2HD PRO 75 11.381 0.907 11.969 571 H GLU 76 H GLU 76 13.154 1.362 8.324 572 HA GLU 76 HA GLU 76 13.122 3.148 6.032 573 HB2 GLU 76 1HB GLU 76 15.029 0.853 6.680 574 HB3 GLU 76 2HB GLU 76 15.305 2.234 5.603 575 HG2 GLU 76 1HG GLU 76 14.945 3.725 7.626 576 HG3 GLU 76 2HG GLU 76 15.033 2.269 8.616 577 H GLY 77 H GLY 77 12.266 -0.119 6.735 578 HA2 GLY 77 1HA GLY 77 12.629 -1.327 4.234 579 HA3 GLY 77 2HA GLY 77 11.490 -1.895 5.466 580 H LEU 78 H LEU 78 10.059 0.796 5.290 581 HA LEU 78 HA LEU 78 8.031 0.344 3.321 582 HB2 LEU 78 1HB LEU 78 7.589 1.778 5.186 583 HB3 LEU 78 2HB LEU 78 9.041 2.740 4.888 584 HG LEU 78 HG LEU 78 8.045 3.646 2.808 585 HD11 LEU 78 1HD1 LEU 78 5.513 2.193 3.708 586 HD12 LEU 78 2HD1 LEU 78 6.448 1.831 2.237 587 HD13 LEU 78 3HD1 LEU 78 5.624 3.390 2.396 588 HD21 LEU 78 3HD2 LEU 78 6.452 5.128 3.922 589 HD22 LEU 78 1HD2 LEU 78 7.879 4.841 4.932 590 HD23 LEU 78 2HD2 LEU 78 6.352 4.001 5.304 591 H ASN 79 H ASN 79 10.983 2.368 3.353 592 HA ASN 79 HA ASN 79 10.435 3.559 0.870 593 HB2 ASN 79 1HB ASN 79 13.005 3.499 2.473 594 HB3 ASN 79 2HB ASN 79 12.657 4.559 1.105 595 HD21 ASN 79 1HD2 ASN 79 13.078 6.409 2.852 596 HD22 ASN 79 2HD2 ASN 79 11.769 6.663 3.983 597 H ASP 80 H ASP 80 11.871 0.490 1.588 598 HA ASP 80 HA ASP 80 13.157 0.073 -1.012 599 HB2 ASP 80 1HB ASP 80 13.809 -1.444 0.683 600 HB3 ASP 80 2HB ASP 80 12.146 -1.805 1.127 601 H LEU 81 H LEU 81 9.837 -0.534 0.343 602 HA LEU 81 HA LEU 81 8.795 -1.689 -2.065 603 HB2 LEU 81 1HB LEU 81 7.631 -0.462 0.420 604 HB3 LEU 81 2HB LEU 81 6.633 -0.411 -1.020 605 HG LEU 81 HG LEU 81 6.807 -2.830 -1.291 606 HD11 LEU 81 1HD1 LEU 81 7.725 -4.217 0.584 607 HD12 LEU 81 2HD1 LEU 81 8.397 -2.745 1.323 608 HD13 LEU 81 3HD1 LEU 81 8.986 -3.312 -0.257 609 HD21 LEU 81 3HD2 LEU 81 5.427 -3.402 0.713 610 HD22 LEU 81 1HD2 LEU 81 4.967 -1.837 0.032 611 HD23 LEU 81 2HD2 LEU 81 5.982 -1.894 1.492 612 H ILE 82 H ILE 82 8.632 1.632 -0.796 613 HA ILE 82 HA ILE 82 7.429 2.889 -2.997 614 HB ILE 82 HB ILE 82 9.320 3.867 -0.870 615 HG12 ILE 82 1HG1 ILE 82 6.928 3.027 -0.356 616 HG13 ILE 82 2HG1 ILE 82 7.416 4.563 0.307 617 HG21 ILE 82 1HG2 ILE 82 9.703 5.439 -2.637 618 HG22 ILE 82 2HG2 ILE 82 7.966 5.596 -2.968 619 HG23 ILE 82 3HG2 ILE 82 8.657 6.210 -1.456 620 HD11 ILE 82 3HD1 ILE 82 5.078 4.480 -0.676 621 HD12 ILE 82 1HD1 ILE 82 6.100 5.800 -1.263 622 HD13 ILE 82 2HD1 ILE 82 5.825 4.380 -2.290 623 H ARG 83 H ARG 83 10.983 2.088 -2.606 624 HA ARG 83 HA ARG 83 12.007 3.454 -4.643 625 HB2 ARG 83 1HB ARG 83 12.830 1.440 -2.941 626 HB3 ARG 83 2HB ARG 83 12.749 0.547 -4.465 627 HG2 ARG 83 1HG ARG 83 14.007 2.541 -5.432 628 HG3 ARG 83 2HG ARG 83 14.345 3.036 -3.772 629 HD2 ARG 83 1HD ARG 83 15.418 0.854 -3.311 630 HD3 ARG 83 2HD ARG 83 15.089 0.313 -4.961 631 HE ARG 83 HE ARG 83 17.075 2.305 -4.042 632 HH11 ARG 83 1HH1 ARG 83 15.540 0.804 -6.913 633 HH12 ARG 83 2HH1 ARG 83 16.754 1.384 -7.989 634 HH21 ARG 83 1HH2 ARG 83 18.685 2.982 -5.478 635 HH22 ARG 83 2HH2 ARG 83 18.624 2.532 -7.156 636 H ALA 84 H ALA 84 9.889 0.573 -4.992 637 HA ALA 84 HA ALA 84 10.512 0.273 -7.823 638 HB1 ALA 84 1HB ALA 84 8.060 -0.966 -6.623 639 HB2 ALA 84 2HB ALA 84 9.273 -1.629 -7.760 640 HB3 ALA 84 3HB ALA 84 9.666 -1.520 -6.057 641 H HIS 85 H HIS 85 7.807 1.797 -6.033 642 HA HIS 85 HA HIS 85 6.335 2.712 -8.289 643 HB2 HIS 85 1HB HIS 85 5.464 2.869 -6.036 644 HB3 HIS 85 2HB HIS 85 6.772 3.879 -5.508 645 HD1 HIS 85 1HD HIS 85 3.190 4.408 -6.801 646 HD2 HIS 85 2HD HIS 85 6.921 6.426 -6.476 647 HE1 HIS 85 1HE HIS 85 2.747 6.810 -7.126 648 H CYS 86 H CYS 86 8.978 4.292 -6.420 649 HA CYS 86 HA CYS 86 8.912 6.606 -8.101 650 HB2 CYS 86 1HB CYS 86 11.075 5.477 -6.230 651 HB3 CYS 86 2HB CYS 86 11.171 7.074 -6.982 652 HG CYS 86 HG CYS 86 10.517 7.633 -4.671 653 H ALA 87 H ALA 87 10.686 3.545 -8.360 654 HA ALA 87 HA ALA 87 12.501 4.537 -10.381 655 HB1 ALA 87 1HB ALA 87 13.136 2.640 -8.867 656 HB2 ALA 87 2HB ALA 87 11.803 1.686 -9.541 657 HB3 ALA 87 3HB ALA 87 13.168 2.145 -10.570 658 H THR 88 H THR 88 9.263 3.122 -10.425 659 HA THR 88 HA THR 88 9.585 2.551 -13.277 660 HB THR 88 HB THR 88 8.480 1.027 -11.550 661 HG1 THR 88 1HG THR 88 8.428 0.731 -13.743 662 HG21 THR 88 3HG2 THR 88 6.077 1.273 -11.181 663 HG22 THR 88 1HG2 THR 88 6.070 2.819 -12.048 664 HG23 THR 88 2HG2 THR 88 6.962 2.655 -10.523 665 H LEU 89 H LEU 89 8.388 5.154 -11.337 666 HA LEU 89 HA LEU 89 7.105 6.384 -13.729 667 HB2 LEU 89 1HB LEU 89 7.059 7.242 -10.830 668 HB3 LEU 89 2HB LEU 89 6.120 7.941 -12.153 669 HG LEU 89 HG LEU 89 5.846 5.138 -11.000 670 HD11 LEU 89 1HD1 LEU 89 3.944 7.498 -10.916 671 HD12 LEU 89 2HD1 LEU 89 4.950 6.918 -9.577 672 HD13 LEU 89 3HD1 LEU 89 3.655 5.893 -10.219 673 HD21 LEU 89 3HD2 LEU 89 3.819 4.938 -12.473 674 HD22 LEU 89 1HD2 LEU 89 5.304 5.046 -13.420 675 HD23 LEU 89 2HD2 LEU 89 4.254 6.468 -13.252 676 H GLY 90 H GLY 90 9.986 6.657 -11.726 677 HA2 GLY 90 1HA GLY 90 11.879 7.935 -12.151 678 HA3 GLY 90 2HA GLY 90 11.051 8.781 -13.459 679 H HIS 91 H HIS 91 10.417 8.299 -9.983 680 HA HIS 91 HA HIS 91 10.129 11.268 -9.663 681 HB2 HIS 91 1HB HIS 91 9.042 8.988 -7.967 682 HB3 HIS 91 2HB HIS 91 8.894 10.705 -7.598 683 HD1 HIS 91 1HD HIS 91 8.029 11.823 -10.468 684 HD2 HIS 91 2HD HIS 91 6.481 8.449 -8.463 685 HE1 HIS 91 1HE HIS 91 5.700 11.423 -11.402 686 H CYS 92 H CYS 92 11.803 8.393 -8.413 687 HA CYS 92 HA CYS 92 13.409 8.101 -6.848 688 HB2 CYS 92 1HB CYS 92 14.406 10.838 -7.734 689 HB3 CYS 92 2HB CYS 92 15.353 9.556 -6.963 690 HG CYS 92 HG CYS 92 13.967 9.714 -9.967 691 H CYS 93 H CYS 93 14.778 9.886 -5.123 692 HA CYS 93 HA CYS 93 12.735 10.272 -3.042 693 HB2 CYS 93 1HB CYS 93 15.010 10.590 -1.706 694 HB3 CYS 93 2HB CYS 93 14.550 8.977 -2.240 695 HG CYS 93 HG CYS 93 16.250 8.510 -3.815 696 H THR 94 H THR 94 13.428 12.132 -1.438 697 HA THR 94 HA THR 94 13.995 14.624 -2.920 698 HB THR 94 HB THR 94 12.129 15.618 -1.569 699 HG1 THR 94 1HG THR 94 10.733 14.344 -0.532 700 HG21 THR 94 3HG2 THR 94 11.733 14.873 -3.933 701 HG22 THR 94 1HG2 THR 94 10.276 14.731 -2.917 702 HG23 THR 94 2HG2 THR 94 11.215 13.284 -3.314 703 H SER 95 H SER 95 13.100 13.810 0.432 704 HA SER 95 HA SER 95 15.822 14.414 1.419 705 HB2 SER 95 1HB SER 95 13.249 15.652 2.476 706 HB3 SER 95 2HB SER 95 14.831 15.730 3.268 707 HG SER 95 HG SER 95 14.254 16.711 0.660 708 H LYS 96 H LYS 96 15.819 13.831 3.821 709 HA LYS 96 HA LYS 96 15.996 12.154 5.255 710 HB2 LYS 96 1HB LYS 96 14.317 11.753 6.628 711 HB3 LYS 96 2HB LYS 96 14.120 13.394 6.043 712 HG2 LYS 96 1HG LYS 96 12.636 11.056 4.845 713 HG3 LYS 96 2HG LYS 96 12.101 11.832 6.333 714 HD2 LYS 96 1HD LYS 96 12.370 14.018 4.665 715 HD3 LYS 96 2HD LYS 96 11.885 12.756 3.519 716 HE2 LYS 96 1HE LYS 96 9.956 12.190 4.957 717 HE3 LYS 96 2HE LYS 96 10.419 13.441 6.098 718 HZ1 LYS 96 3HZ LYS 96 9.697 13.914 3.269 719 HZ2 LYS 96 1HZ LYS 96 10.021 15.084 4.413 720 HZ3 LYS 96 2HZ LYS 96 8.696 14.121 4.561 721 H MET 97 H MET 97 16.346 11.228 2.621 722 HA MET 97 HA MET 97 16.793 9.311 1.547 723 HB2 MET 97 1HB MET 97 17.850 8.672 3.728 724 HB3 MET 97 2HB MET 97 16.333 7.917 4.210 725 HG2 MET 97 1HG MET 97 16.658 6.695 1.823 726 HG3 MET 97 2HG MET 97 18.338 7.065 2.193 727 HE1 MET 97 3HE MET 97 15.150 4.985 2.981 728 HE2 MET 97 1HE MET 97 15.511 4.231 4.547 729 HE3 MET 97 2HE MET 97 15.211 5.976 4.454 730 H HIS 98 H HIS 98 14.737 10.062 0.613 731 HA HIS 98 HA HIS 98 12.866 9.586 -0.539 732 HB2 HIS 98 1HB HIS 98 13.053 6.854 0.645 733 HB3 HIS 98 2HB HIS 98 11.484 7.418 0.143 734 HD1 HIS 98 1HD HIS 98 14.645 6.008 -1.290 735 HD2 HIS 98 2HD HIS 98 11.162 8.077 -2.490 736 HE1 HIS 98 1HE HIS 98 14.503 5.772 -3.820 737 H LEU 99 H LEU 99 12.138 8.284 2.724 738 HA LEU 99 HA LEU 99 9.955 10.294 3.055 739 HB2 LEU 99 1HB LEU 99 9.682 7.275 2.776 740 HB3 LEU 99 2HB LEU 99 8.421 8.300 3.423 741 HG LEU 99 HG LEU 99 9.532 8.586 0.590 742 HD11 LEU 99 1HD1 LEU 99 7.352 7.482 -0.006 743 HD12 LEU 99 2HD1 LEU 99 7.163 7.094 1.721 744 HD13 LEU 99 3HD1 LEU 99 8.531 6.444 0.832 745 HD21 LEU 99 3HD2 LEU 99 8.511 10.664 1.390 746 HD22 LEU 99 1HD2 LEU 99 7.123 9.780 2.034 747 HD23 LEU 99 2HD2 LEU 99 7.391 9.888 0.291 748 H HIS 100 H HIS 100 9.035 10.260 5.089 749 HA HIS 100 HA HIS 100 10.788 9.272 7.207 750 HB2 HIS 100 1HB HIS 100 9.915 11.563 7.349 751 HB3 HIS 100 2HB HIS 100 8.257 10.942 7.317 752 HD1 HIS 100 1HD HIS 100 7.669 11.910 9.704 753 HD2 HIS 100 2HD HIS 100 10.941 9.241 9.564 754 HE1 HIS 100 1HE HIS 100 8.214 11.269 12.116 755 H SER 101 H SER 101 7.585 8.694 5.847 756 HA SER 101 HA SER 101 7.233 6.123 7.012 757 HB2 SER 101 1HB SER 101 5.449 6.634 8.653 758 HB3 SER 101 2HB SER 101 6.963 7.395 9.123 759 HG SER 101 HG SER 101 5.480 8.941 9.338 760 H VAL 102 H VAL 102 4.592 5.742 7.028 761 HA VAL 102 HA VAL 102 3.761 5.706 4.346 762 HB VAL 102 HB VAL 102 2.125 5.544 6.916 763 HG11 VAL 102 1HG1 VAL 102 0.443 4.293 5.619 764 HG12 VAL 102 2HG1 VAL 102 0.644 5.898 4.923 765 HG13 VAL 102 3HG1 VAL 102 1.398 4.506 4.139 766 HG21 VAL 102 3HG2 VAL 102 3.693 3.821 7.126 767 HG22 VAL 102 1HG2 VAL 102 2.307 3.043 6.372 768 HG23 VAL 102 2HG2 VAL 102 3.687 3.478 5.370 769 H MET 103 H MET 103 2.883 7.990 7.006 770 HA MET 103 HA MET 103 0.862 9.300 5.627 771 HB2 MET 103 1HB MET 103 1.436 9.362 8.040 772 HB3 MET 103 2HB MET 103 2.783 10.449 7.704 773 HG2 MET 103 1HG MET 103 1.394 12.241 7.507 774 HG3 MET 103 2HG MET 103 0.176 11.348 6.595 775 HE1 MET 103 3HE MET 103 -1.123 9.107 8.182 776 HE2 MET 103 1HE MET 103 -2.339 10.045 9.065 777 HE3 MET 103 2HE MET 103 -1.921 10.477 7.388 778 H ASP 104 H ASP 104 4.312 10.096 5.848 779 HA ASP 104 HA ASP 104 4.375 12.349 4.112 780 HB2 ASP 104 1HB ASP 104 6.412 10.334 5.082 781 HB3 ASP 104 2HB ASP 104 6.827 11.441 3.783 782 H ALA 105 H ALA 105 4.541 8.826 3.506 783 HA ALA 105 HA ALA 105 5.186 8.993 0.742 784 HB1 ALA 105 1HB ALA 105 4.721 6.683 0.655 785 HB2 ALA 105 2HB ALA 105 5.134 6.898 2.373 786 HB3 ALA 105 3HB ALA 105 3.450 6.770 1.872 787 H ILE 106 H ILE 106 1.970 8.619 2.338 788 HA ILE 106 HA ILE 106 0.421 8.524 -0.010 789 HB ILE 106 HB ILE 106 -0.213 9.706 2.714 790 HG12 ILE 106 1HG1 ILE 106 0.364 7.321 2.831 791 HG13 ILE 106 2HG1 ILE 106 -1.272 7.692 3.292 792 HG21 ILE 106 1HG2 ILE 106 -1.868 10.608 1.196 793 HG22 ILE 106 2HG2 ILE 106 -2.190 9.010 0.509 794 HG23 ILE 106 3HG2 ILE 106 -2.618 9.373 2.201 795 HD11 ILE 106 3HD1 ILE 106 -0.373 6.421 0.699 796 HD12 ILE 106 1HD1 ILE 106 -1.165 5.622 2.059 797 HD13 ILE 106 2HD1 ILE 106 -2.077 6.807 1.108 798 H ASP 107 H ASP 107 1.515 11.345 1.921 799 HA ASP 107 HA ASP 107 0.245 13.364 0.430 800 HB2 ASP 107 1HB ASP 107 1.288 13.578 2.688 801 HB3 ASP 107 2HB ASP 107 2.850 13.551 1.913 802 H PHE 108 H PHE 108 3.514 12.147 0.308 803 HA PHE 108 HA PHE 108 4.579 13.602 -1.817 804 HB2 PHE 108 1HB PHE 108 5.856 12.092 -0.253 805 HB3 PHE 108 2HB PHE 108 5.190 10.710 -1.069 806 HD1 PHE 108 2HD PHE 108 6.585 13.862 -2.669 807 HD2 PHE 108 1HD PHE 108 7.058 9.617 -1.977 808 HE1 PHE 108 2HE PHE 108 8.510 13.815 -4.191 809 HE2 PHE 108 1HE PHE 108 9.022 9.607 -3.481 810 HZ PHE 108 HZ PHE 108 9.761 11.703 -4.581 811 H LEU 109 H LEU 109 3.370 10.178 -2.182 812 HA LEU 109 HA LEU 109 3.385 10.057 -4.907 813 HB2 LEU 109 1HB LEU 109 1.709 8.742 -2.726 814 HB3 LEU 109 2HB LEU 109 1.529 8.369 -4.437 815 HG LEU 109 HG LEU 109 3.944 7.881 -4.580 816 HD11 LEU 109 1HD1 LEU 109 4.075 7.521 -1.613 817 HD12 LEU 109 2HD1 LEU 109 4.845 8.863 -2.513 818 HD13 LEU 109 3HD1 LEU 109 5.317 7.212 -2.850 819 HD21 LEU 109 3HD2 LEU 109 2.222 6.201 -2.695 820 HD22 LEU 109 1HD2 LEU 109 3.667 5.581 -3.570 821 HD23 LEU 109 2HD2 LEU 109 2.246 6.113 -4.476 822 H ASN 110 H ASN 110 0.697 11.310 -2.857 823 HA ASN 110 HA ASN 110 -1.042 11.690 -5.143 824 HB2 ASN 110 1HB ASN 110 -1.047 12.747 -2.294 825 HB3 ASN 110 2HB ASN 110 -2.101 13.466 -3.510 826 HD21 ASN 110 1HD2 ASN 110 -1.352 10.440 -1.811 827 HD22 ASN 110 2HD2 ASN 110 -2.933 9.707 -2.124 828 H ALA 111 H ALA 111 1.506 13.707 -3.675 829 HA ALA 111 HA ALA 111 0.807 16.032 -5.294 830 HB1 ALA 111 1HB ALA 111 3.230 15.440 -3.543 831 HB2 ALA 111 2HB ALA 111 2.814 17.010 -4.269 832 HB3 ALA 111 3HB ALA 111 1.757 16.303 -3.027 833 H LEU 112 H LEU 112 2.755 13.173 -5.713 834 HA LEU 112 HA LEU 112 4.431 14.254 -7.853 835 HB2 LEU 112 1HB LEU 112 3.732 11.442 -6.884 836 HB3 LEU 112 2HB LEU 112 4.775 11.727 -8.266 837 HG LEU 112 HG LEU 112 5.429 12.823 -5.495 838 HD11 LEU 112 1HD1 LEU 112 6.029 10.169 -6.804 839 HD12 LEU 112 2HD1 LEU 112 5.556 10.526 -5.145 840 HD13 LEU 112 3HD1 LEU 112 7.196 10.897 -5.688 841 HD21 LEU 112 3HD2 LEU 112 6.936 12.641 -8.106 842 HD22 LEU 112 1HD2 LEU 112 7.689 13.045 -6.537 843 HD23 LEU 112 2HD2 LEU 112 6.432 14.088 -7.232 844 H GLU 113 H GLU 113 1.346 12.779 -7.514 845 HA GLU 113 HA GLU 113 0.986 12.259 -10.345 846 HB2 GLU 113 1HB GLU 113 -0.690 12.026 -7.903 847 HB3 GLU 113 2HB GLU 113 -1.611 12.431 -9.338 848 HG2 GLU 113 1HG GLU 113 0.373 10.135 -9.236 849 HG3 GLU 113 2HG GLU 113 -1.328 9.982 -8.868 850 H GLY 114 H GLY 114 -0.723 13.203 -11.627 851 HA2 GLY 114 1HA GLY 114 -0.534 16.156 -11.666 852 HA3 GLY 114 2HA GLY 114 -1.292 15.100 -12.882 Start of MODEL 18 1 H1 MET 1 H MET 1 -21.835 -4.330 14.343 2 HA MET 1 HA MET 1 -20.092 -4.026 12.656 3 HB2 MET 1 1HB MET 1 -18.529 -5.408 14.438 4 HB3 MET 1 2HB MET 1 -18.814 -6.641 13.212 5 HG2 MET 1 1HG MET 1 -16.848 -5.404 12.588 6 HG3 MET 1 2HG MET 1 -18.127 -4.943 11.467 7 HE1 MET 1 3HE MET 1 -16.385 -2.358 14.902 8 HE2 MET 1 1HE MET 1 -17.626 -3.552 15.309 9 HE3 MET 1 2HE MET 1 -16.083 -4.087 14.612 10 H GLY 2 H GLY 2 -19.592 -6.712 11.340 11 HA2 GLY 2 1HA GLY 2 -21.817 -8.257 10.933 12 HA3 GLY 2 2HA GLY 2 -22.014 -6.848 9.851 13 H ALA 3 H ALA 3 -19.829 -6.155 8.778 14 HA ALA 3 HA ALA 3 -17.708 -8.126 8.752 15 HB1 ALA 3 1HB ALA 3 -18.970 -7.172 6.130 16 HB2 ALA 3 2HB ALA 3 -17.496 -8.155 6.292 17 HB3 ALA 3 3HB ALA 3 -19.061 -8.826 6.779 18 H GLY 4 H GLY 4 -15.702 -7.050 7.991 19 HA2 GLY 4 1HA GLY 4 -15.874 -4.052 7.850 20 HA3 GLY 4 2HA GLY 4 -14.410 -4.998 8.127 21 H GLN 5 H GLN 5 -15.250 -7.050 6.028 22 HA GLN 5 HA GLN 5 -14.585 -7.571 4.085 23 HB2 GLN 5 1HB GLN 5 -15.646 -5.021 2.897 24 HB3 GLN 5 2HB GLN 5 -15.627 -6.672 2.262 25 HG2 GLN 5 1HG GLN 5 -17.329 -7.258 4.078 26 HG3 GLN 5 2HG GLN 5 -17.510 -5.517 4.348 27 HE21 GLN 5 1HE2 GLN 5 -18.719 -4.280 2.741 28 HE22 GLN 5 2HE2 GLN 5 -19.331 -5.014 1.269 29 H THR 6 H THR 6 -12.903 -5.515 5.640 30 HA THR 6 HA THR 6 -11.256 -4.141 3.734 31 HB THR 6 HB THR 6 -9.902 -3.958 6.079 32 HG1 THR 6 1HG THR 6 -11.477 -3.958 7.755 33 HG21 THR 6 3HG2 THR 6 -12.576 -2.607 5.520 34 HG22 THR 6 1HG2 THR 6 -10.954 -2.079 5.002 35 HG23 THR 6 2HG2 THR 6 -11.376 -2.054 6.710 36 HA PRO 7 HA PRO 7 -8.039 -7.150 3.339 37 HB2 PRO 7 1HB PRO 7 -5.774 -5.639 2.987 38 HB3 PRO 7 2HB PRO 7 -7.059 -5.794 1.769 39 HG2 PRO 7 1HG PRO 7 -6.718 -3.565 3.777 40 HG3 PRO 7 2HG PRO 7 -7.013 -3.438 2.013 41 HD2 PRO 7 1HD PRO 7 -9.038 -3.276 3.848 42 HD3 PRO 7 2HD PRO 7 -9.277 -4.051 2.260 43 H HIS 8 H HIS 8 -8.757 -7.417 5.688 44 HA HIS 8 HA HIS 8 -8.209 -8.278 7.666 45 HB2 HIS 8 1HB HIS 8 -5.721 -8.302 6.651 46 HB3 HIS 8 2HB HIS 8 -5.473 -7.028 7.832 47 HD1 HIS 8 1HD HIS 8 -4.673 -8.070 10.102 48 HD2 HIS 8 2HD HIS 8 -7.094 -10.606 7.777 49 HE1 HIS 8 1HE HIS 8 -5.202 -10.079 11.565 50 HA PRO 9 HA PRO 9 -9.073 -4.655 10.193 51 HB2 PRO 9 1HB PRO 9 -9.259 -5.730 12.705 52 HB3 PRO 9 2HB PRO 9 -10.494 -5.997 11.442 53 HG2 PRO 9 1HG PRO 9 -8.181 -7.801 12.200 54 HG3 PRO 9 2HG PRO 9 -9.901 -8.255 11.984 55 HD2 PRO 9 1HD PRO 9 -8.095 -8.619 10.018 56 HD3 PRO 9 2HD PRO 9 -9.748 -8.080 9.632 57 H GLN 10 H GLN 10 -6.301 -6.764 11.085 58 HA GLN 10 HA GLN 10 -5.068 -4.786 12.821 59 HB2 GLN 10 1HB GLN 10 -4.063 -7.288 11.440 60 HB3 GLN 10 2HB GLN 10 -2.920 -6.157 12.081 61 HG2 GLN 10 1HG GLN 10 -4.930 -6.635 14.119 62 HG3 GLN 10 2HG GLN 10 -4.327 -8.175 13.505 63 HE21 GLN 10 1HE2 GLN 10 -3.513 -5.288 15.334 64 HE22 GLN 10 2HE2 GLN 10 -1.843 -5.708 15.674 65 H LEU 11 H LEU 11 -5.264 -5.012 9.330 66 HA LEU 11 HA LEU 11 -3.077 -3.192 8.778 67 HB2 LEU 11 1HB LEU 11 -3.980 -4.577 7.023 68 HB3 LEU 11 2HB LEU 11 -5.616 -4.018 7.320 69 HG LEU 11 HG LEU 11 -3.642 -1.871 6.665 70 HD11 LEU 11 1HD1 LEU 11 -3.785 -2.350 4.239 71 HD12 LEU 11 2HD1 LEU 11 -4.518 -3.927 4.629 72 HD13 LEU 11 3HD1 LEU 11 -2.864 -3.549 5.163 73 HD21 LEU 11 3HD2 LEU 11 -6.004 -1.293 6.968 74 HD22 LEU 11 1HD2 LEU 11 -6.483 -2.485 5.749 75 HD23 LEU 11 2HD2 LEU 11 -5.532 -1.045 5.297 76 H ILE 12 H ILE 12 -3.085 -0.994 9.106 77 HA ILE 12 HA ILE 12 -5.576 0.273 9.940 78 HB ILE 12 HB ILE 12 -3.390 0.061 11.259 79 HG12 ILE 12 1HG1 ILE 12 -4.474 2.887 11.026 80 HG13 ILE 12 2HG1 ILE 12 -5.426 1.438 11.510 81 HG21 ILE 12 1HG2 ILE 12 -1.890 0.961 9.411 82 HG22 ILE 12 2HG2 ILE 12 -2.666 2.528 9.611 83 HG23 ILE 12 3HG2 ILE 12 -1.729 1.823 10.948 84 HD11 ILE 12 3HD1 ILE 12 -4.630 2.577 13.457 85 HD12 ILE 12 1HD1 ILE 12 -4.090 0.891 13.282 86 HD13 ILE 12 2HD1 ILE 12 -2.951 2.232 12.939 87 H TRP 13 H TRP 13 -5.315 2.859 9.211 88 HA TRP 13 HA TRP 13 -4.502 2.837 6.367 89 HB2 TRP 13 1HB TRP 13 -6.935 4.278 7.391 90 HB3 TRP 13 2HB TRP 13 -6.326 4.224 5.764 91 HD1 TRP 13 HD TRP 13 -8.051 1.938 8.313 92 HE1 TRP 13 1HE TRP 13 -8.987 -0.134 7.135 93 HE3 TRP 13 3HE TRP 13 -6.091 2.695 3.625 94 HZ2 TRP 13 2HZ TRP 13 -8.779 -1.372 4.603 95 HZ3 TRP 13 3HZ TRP 13 -6.389 0.952 1.885 96 HH2 TRP 13 HH TRP 13 -7.684 -1.093 2.340 97 HA PRO 14 HA PRO 14 -4.460 4.653 4.830 98 HB2 PRO 14 1HB PRO 14 -2.119 5.590 3.726 99 HB3 PRO 14 2HB PRO 14 -3.579 6.570 4.017 100 HG2 PRO 14 1HG PRO 14 -1.086 6.420 5.688 101 HG3 PRO 14 2HG PRO 14 -2.087 7.851 5.291 102 HD2 PRO 14 1HD PRO 14 -2.289 6.540 7.671 103 HD3 PRO 14 2HD PRO 14 -3.715 7.281 6.878 104 H ALA 15 H ALA 15 -3.385 3.378 3.105 105 HA ALA 15 HA ALA 15 -1.325 1.432 3.913 106 HB1 ALA 15 1HB ALA 15 -4.136 0.664 2.910 107 HB2 ALA 15 2HB ALA 15 -2.792 -0.480 3.183 108 HB3 ALA 15 3HB ALA 15 -3.528 0.361 4.579 109 H LEU 16 H LEU 16 -0.886 -0.013 2.234 110 HA LEU 16 HA LEU 16 -0.389 1.433 -0.282 111 HB2 LEU 16 1HB LEU 16 1.340 -0.171 1.673 112 HB3 LEU 16 2HB LEU 16 1.916 0.518 0.156 113 HG LEU 16 HG LEU 16 2.649 1.827 1.871 114 HD11 LEU 16 1HD1 LEU 16 0.251 3.220 0.631 115 HD12 LEU 16 2HD1 LEU 16 1.787 2.895 -0.146 116 HD13 LEU 16 3HD1 LEU 16 1.684 4.046 1.233 117 HD21 LEU 16 3HD2 LEU 16 0.275 2.848 3.186 118 HD22 LEU 16 1HD2 LEU 16 1.921 2.475 3.756 119 HD23 LEU 16 2HD2 LEU 16 0.792 1.171 3.571 120 H LEU 17 H LEU 17 -1.065 0.240 -1.955 121 HA LEU 17 HA LEU 17 -0.665 -2.693 -1.719 122 HB2 LEU 17 1HB LEU 17 -2.999 -1.945 -2.351 123 HB3 LEU 17 2HB LEU 17 -2.312 -1.197 -3.773 124 HG LEU 17 HG LEU 17 -1.557 -3.491 -4.564 125 HD11 LEU 17 1HD1 LEU 17 -1.689 -4.799 -2.547 126 HD12 LEU 17 2HD1 LEU 17 -2.998 -5.356 -3.602 127 HD13 LEU 17 3HD1 LEU 17 -3.362 -4.291 -2.240 128 HD21 LEU 17 3HD2 LEU 17 -3.796 -4.021 -5.427 129 HD22 LEU 17 1HD2 LEU 17 -3.457 -2.291 -5.515 130 HD23 LEU 17 2HD2 LEU 17 -4.530 -2.914 -4.242 131 H LYS 18 H LYS 18 0.578 -3.806 -3.384 132 HA LYS 18 HA LYS 18 1.753 -2.085 -5.469 133 HB2 LYS 18 1HB LYS 18 3.247 -2.589 -3.195 134 HB3 LYS 18 2HB LYS 18 3.774 -3.925 -4.222 135 HG2 LYS 18 1HG LYS 18 3.702 -1.031 -5.130 136 HG3 LYS 18 2HG LYS 18 5.111 -1.789 -4.362 137 HD2 LYS 18 1HD LYS 18 3.799 -2.717 -6.936 138 HD3 LYS 18 2HD LYS 18 5.212 -1.674 -6.863 139 HE2 LYS 18 1HE LYS 18 5.044 -4.529 -5.780 140 HE3 LYS 18 2HE LYS 18 5.721 -4.030 -7.320 141 HZ1 LYS 18 3HZ LYS 18 6.837 -3.499 -4.651 142 HZ2 LYS 18 1HZ LYS 18 7.293 -2.601 -5.939 143 HZ3 LYS 18 2HZ LYS 18 7.538 -4.193 -5.962 144 H GLN 19 H GLN 19 0.490 -3.140 -7.052 145 HA GLN 19 HA GLN 19 -0.271 -5.845 -6.856 146 HB2 GLN 19 1HB GLN 19 -0.268 -3.801 -9.069 147 HB3 GLN 19 2HB GLN 19 -0.335 -5.476 -9.566 148 HG2 GLN 19 1HG GLN 19 -2.253 -5.103 -7.423 149 HG3 GLN 19 2HG GLN 19 -2.454 -3.839 -8.623 150 HE21 GLN 19 1HE2 GLN 19 -2.852 -7.245 -7.968 151 HE22 GLN 19 2HE2 GLN 19 -3.980 -7.322 -9.291 152 H GLN 20 H GLN 20 0.564 -7.796 -7.505 153 HA GLN 20 HA GLN 20 3.279 -8.083 -7.793 154 HB2 GLN 20 1HB GLN 20 1.075 -9.635 -7.226 155 HB3 GLN 20 2HB GLN 20 1.406 -10.173 -8.869 156 HG2 GLN 20 1HG GLN 20 2.458 -11.569 -7.267 157 HG3 GLN 20 2HG GLN 20 3.706 -10.714 -8.201 158 HE21 GLN 20 1HE2 GLN 20 4.670 -11.853 -5.956 159 HE22 GLN 20 2HE2 GLN 20 4.800 -10.712 -4.629 160 H GLY 21 H GLY 21 4.444 -7.276 -9.367 161 HA2 GLY 21 1HA GLY 21 5.329 -7.652 -11.535 162 HA3 GLY 21 2HA GLY 21 3.700 -7.672 -12.219 163 H CYS 22 H CYS 22 2.823 -5.234 -10.513 164 HA CYS 22 HA CYS 22 3.807 -3.223 -12.351 165 HB2 CYS 22 1HB CYS 22 2.214 -1.823 -11.338 166 HB3 CYS 22 2HB CYS 22 1.440 -3.360 -11.190 167 HG CYS 22 HG CYS 22 2.346 -3.742 -8.707 168 H ASN 23 H ASN 23 4.572 -1.175 -11.388 169 HA ASN 23 HA ASN 23 6.513 -1.604 -9.150 170 HB2 ASN 23 1HB ASN 23 6.796 0.505 -11.313 171 HB3 ASN 23 2HB ASN 23 8.024 -0.064 -10.261 172 HD21 ASN 23 1HD2 ASN 23 6.533 -0.613 -13.355 173 HD22 ASN 23 2HD2 ASN 23 7.203 -2.210 -13.605 174 H GLU 24 H GLU 24 3.636 -0.058 -10.230 175 HA GLU 24 HA GLU 24 4.097 2.529 -9.042 176 HB2 GLU 24 1HB GLU 24 2.832 2.065 -11.113 177 HB3 GLU 24 2HB GLU 24 1.564 1.261 -10.167 178 HG2 GLU 24 1HG GLU 24 0.969 3.355 -9.102 179 HG3 GLU 24 2HG GLU 24 2.444 4.134 -9.683 180 H LEU 25 H LEU 25 4.134 2.728 -6.897 181 HA LEU 25 HA LEU 25 2.658 0.957 -5.086 182 HB2 LEU 25 1HB LEU 25 4.312 3.469 -4.672 183 HB3 LEU 25 2HB LEU 25 3.159 3.019 -3.462 184 HG LEU 25 HG LEU 25 5.382 2.231 -2.895 185 HD11 LEU 25 1HD1 LEU 25 3.555 1.144 -1.861 186 HD12 LEU 25 2HD1 LEU 25 4.711 -0.106 -2.310 187 HD13 LEU 25 3HD1 LEU 25 3.233 0.110 -3.249 188 HD21 LEU 25 3HD2 LEU 25 6.257 0.192 -4.089 189 HD22 LEU 25 1HD2 LEU 25 6.429 1.729 -4.937 190 HD23 LEU 25 2HD2 LEU 25 5.182 0.589 -5.435 191 H LEU 26 H LEU 26 0.763 1.219 -4.245 192 HA LEU 26 HA LEU 26 -1.008 3.207 -5.367 193 HB2 LEU 26 1HB LEU 26 -1.120 0.528 -5.503 194 HB3 LEU 26 2HB LEU 26 -2.106 0.799 -4.081 195 HG LEU 26 HG LEU 26 -3.236 0.586 -6.345 196 HD11 LEU 26 1HD1 LEU 26 -4.478 1.208 -4.430 197 HD12 LEU 26 2HD1 LEU 26 -4.921 2.386 -5.662 198 HD13 LEU 26 3HD1 LEU 26 -3.793 2.848 -4.391 199 HD21 LEU 26 3HD2 LEU 26 -3.533 2.480 -7.755 200 HD22 LEU 26 1HD2 LEU 26 -1.783 2.284 -7.570 201 HD23 LEU 26 2HD2 LEU 26 -2.656 3.548 -6.666 202 HA PRO 27 HA PRO 27 -1.218 4.599 -1.018 203 HB2 PRO 27 1HB PRO 27 -1.861 7.219 -1.529 204 HB3 PRO 27 2HB PRO 27 -0.191 6.612 -1.687 205 HG2 PRO 27 1HG PRO 27 -2.229 7.009 -3.895 206 HG3 PRO 27 2HG PRO 27 -0.516 7.521 -3.856 207 HD2 PRO 27 1HD PRO 27 -1.413 5.194 -5.031 208 HD3 PRO 27 2HD PRO 27 0.216 5.351 -4.311 209 H LEU 28 H LEU 28 -3.040 3.914 -0.035 210 HA LEU 28 HA LEU 28 -5.773 4.800 -0.953 211 HB2 LEU 28 1HB LEU 28 -4.863 2.445 0.776 212 HB3 LEU 28 2HB LEU 28 -6.501 2.971 0.656 213 HG LEU 28 HG LEU 28 -6.477 1.133 -0.674 214 HD11 LEU 28 1HD1 LEU 28 -7.450 2.962 -1.992 215 HD12 LEU 28 2HD1 LEU 28 -6.730 1.726 -3.025 216 HD13 LEU 28 3HD1 LEU 28 -5.886 3.261 -2.756 217 HD21 LEU 28 3HD2 LEU 28 -4.818 0.378 -2.213 218 HD22 LEU 28 1HD2 LEU 28 -4.045 0.739 -0.653 219 HD23 LEU 28 2HD2 LEU 28 -3.895 1.874 -2.011 220 H ARG 29 H ARG 29 -6.105 6.698 0.168 221 HA ARG 29 HA ARG 29 -4.824 7.426 2.620 222 HB2 ARG 29 1HB ARG 29 -7.426 8.358 1.413 223 HB3 ARG 29 2HB ARG 29 -6.735 9.068 2.849 224 HG2 ARG 29 1HG ARG 29 -5.040 10.158 1.758 225 HG3 ARG 29 2HG ARG 29 -5.026 9.049 0.372 226 HD2 ARG 29 1HD ARG 29 -6.735 10.103 -0.707 227 HD3 ARG 29 2HD ARG 29 -7.587 10.508 0.768 228 HE ARG 29 HE ARG 29 -5.284 12.029 -0.394 229 HH11 ARG 29 1HH1 ARG 29 -8.075 11.998 1.851 230 HH12 ARG 29 2HH1 ARG 29 -8.291 13.724 1.723 231 HH21 ARG 29 1HH2 ARG 29 -5.688 14.277 -0.519 232 HH22 ARG 29 2HH2 ARG 29 -6.692 15.042 0.683 233 H THR 30 H THR 30 -8.089 5.963 1.993 234 HA THR 30 HA THR 30 -8.042 4.879 4.698 235 HB THR 30 HB THR 30 -10.195 5.623 5.336 236 HG1 THR 30 1HG THR 30 -11.547 6.106 3.968 237 HG21 THR 30 3HG2 THR 30 -9.970 7.991 5.683 238 HG22 THR 30 1HG2 THR 30 -8.729 8.114 4.419 239 HG23 THR 30 2HG2 THR 30 -8.407 7.195 5.910 240 H ASN 31 H ASN 31 -10.124 3.447 4.936 241 HA ASN 31 HA ASN 31 -9.947 1.342 3.073 242 HB2 ASN 31 1HB ASN 31 -10.761 0.742 5.202 243 HB3 ASN 31 2HB ASN 31 -11.861 2.098 5.287 244 HD21 ASN 31 1HD2 ASN 31 -11.341 -0.798 3.116 245 HD22 ASN 31 2HD2 ASN 31 -13.037 -1.271 3.182 246 H ASP 32 H ASP 32 -12.224 4.144 3.185 247 HA ASP 32 HA ASP 32 -14.006 3.019 1.284 248 HB2 ASP 32 1HB ASP 32 -13.979 5.371 2.748 249 HB3 ASP 32 2HB ASP 32 -13.730 5.969 1.114 250 H ASP 33 H ASP 33 -10.820 4.605 0.807 251 HA ASP 33 HA ASP 33 -11.260 4.911 -2.052 252 HB2 ASP 33 1HB ASP 33 -9.381 6.112 -0.676 253 HB3 ASP 33 2HB ASP 33 -8.483 4.610 -0.825 254 H TRP 34 H TRP 34 -9.880 2.453 0.088 255 HA TRP 34 HA TRP 34 -8.922 0.654 -1.907 256 HB2 TRP 34 1HB TRP 34 -8.229 0.257 0.314 257 HB3 TRP 34 2HB TRP 34 -9.849 0.279 0.966 258 HD1 TRP 34 HD TRP 34 -11.389 -1.872 0.595 259 HE1 TRP 34 1HE TRP 34 -10.883 -4.300 -0.128 260 HE3 TRP 34 3HE TRP 34 -6.464 -1.374 -0.785 261 HZ2 TRP 34 2HZ TRP 34 -8.986 -5.518 -1.856 262 HZ3 TRP 34 3HZ TRP 34 -5.319 -3.232 -1.906 263 HH2 TRP 34 HH TRP 34 -6.564 -5.385 -2.428 264 H GLN 35 H GLN 35 -12.153 1.030 -0.426 265 HA GLN 35 HA GLN 35 -13.387 -1.126 -1.909 266 HB2 GLN 35 1HB GLN 35 -14.667 1.415 -0.786 267 HB3 GLN 35 2HB GLN 35 -15.515 0.004 -1.412 268 HG2 GLN 35 1HG GLN 35 -14.369 -1.373 0.397 269 HG3 GLN 35 2HG GLN 35 -13.773 0.137 1.081 270 HE21 GLN 35 1HE2 GLN 35 -15.052 0.573 2.979 271 HE22 GLN 35 2HE2 GLN 35 -16.802 0.549 2.891 272 H ARG 36 H ARG 36 -13.355 2.424 -2.491 273 HA ARG 36 HA ARG 36 -14.792 2.343 -4.918 274 HB2 ARG 36 1HB ARG 36 -12.798 4.351 -3.852 275 HB3 ARG 36 2HB ARG 36 -13.824 4.649 -5.261 276 HG2 ARG 36 1HG ARG 36 -15.818 4.721 -3.996 277 HG3 ARG 36 2HG ARG 36 -15.137 3.803 -2.672 278 HD2 ARG 36 1HD ARG 36 -14.967 5.784 -1.643 279 HD3 ARG 36 2HD ARG 36 -13.475 5.961 -2.531 280 HE ARG 36 HE ARG 36 -16.029 7.354 -2.868 281 HH11 ARG 36 1HH1 ARG 36 -12.988 6.604 -4.507 282 HH12 ARG 36 2HH1 ARG 36 -13.083 7.912 -5.613 283 HH21 ARG 36 1HH2 ARG 36 -16.204 9.031 -4.259 284 HH22 ARG 36 2HH2 ARG 36 -15.014 9.373 -5.508 285 H PHE 37 H PHE 37 -11.361 1.760 -4.387 286 HA PHE 37 HA PHE 37 -10.429 2.008 -7.042 287 HB2 PHE 37 1HB PHE 37 -8.983 1.766 -5.090 288 HB3 PHE 37 2HB PHE 37 -9.647 0.196 -4.731 289 HD1 PHE 37 1HD PHE 37 -9.101 -1.791 -6.319 290 HD2 PHE 37 2HD PHE 37 -7.096 2.022 -6.453 291 HE1 PHE 37 1HE PHE 37 -7.081 -2.878 -7.348 292 HE2 PHE 37 2HE PHE 37 -5.135 0.922 -7.513 293 HZ PHE 37 HZ PHE 37 -5.069 -1.509 -7.750 294 H CYS 38 H CYS 38 -11.527 -1.040 -5.374 295 HA CYS 38 HA CYS 38 -11.516 -2.488 -7.869 296 HB2 CYS 38 1HB CYS 38 -11.422 -3.476 -5.484 297 HB3 CYS 38 2HB CYS 38 -13.173 -3.206 -5.408 298 HG CYS 38 HG CYS 38 -13.509 -4.397 -7.855 299 H ALA 39 H ALA 39 -13.931 -0.520 -6.210 300 HA ALA 39 HA ALA 39 -16.189 -1.413 -7.771 301 HB1 ALA 39 1HB ALA 39 -17.398 0.225 -6.601 302 HB2 ALA 39 2HB ALA 39 -16.192 -0.299 -5.427 303 HB3 ALA 39 3HB ALA 39 -15.963 1.230 -6.312 304 H ASP 40 H ASP 40 -13.413 0.343 -8.696 305 HA ASP 40 HA ASP 40 -14.884 1.204 -11.063 306 HB2 ASP 40 1HB ASP 40 -14.224 3.207 -9.639 307 HB3 ASP 40 2HB ASP 40 -12.546 2.807 -10.016 308 H SER 41 H SER 41 -13.644 -1.290 -10.597 309 HA SER 41 HA SER 41 -12.441 -2.807 -11.725 310 HB2 SER 41 1HB SER 41 -13.115 -1.675 -13.791 311 HB3 SER 41 2HB SER 41 -11.715 -0.596 -13.696 312 HG SER 41 HG SER 41 -11.354 -2.353 -15.082 313 H LYS 42 H LYS 42 -10.341 0.018 -12.125 314 HA LYS 42 HA LYS 42 -8.017 0.156 -11.857 315 HB2 LYS 42 1HB LYS 42 -9.207 -0.290 -9.129 316 HB3 LYS 42 2HB LYS 42 -7.542 0.204 -9.367 317 HG2 LYS 42 1HG LYS 42 -9.745 1.824 -10.685 318 HG3 LYS 42 2HG LYS 42 -9.346 2.049 -8.979 319 HD2 LYS 42 1HD LYS 42 -7.012 2.454 -9.501 320 HD3 LYS 42 2HD LYS 42 -7.302 2.261 -11.238 321 HE2 LYS 42 1HE LYS 42 -8.800 4.308 -9.570 322 HE3 LYS 42 2HE LYS 42 -7.183 4.654 -10.188 323 HZ1 LYS 42 3HZ LYS 42 -9.422 3.905 -11.959 324 HZ2 LYS 42 1HZ LYS 42 -7.950 4.478 -12.402 325 HZ3 LYS 42 2HZ LYS 42 -9.014 5.438 -11.603 326 H HIS 43 H HIS 43 -8.169 -2.147 -13.085 327 HA HIS 43 HA HIS 43 -6.850 -3.804 -13.607 328 HB2 HIS 43 1HB HIS 43 -5.153 -2.105 -12.441 329 HB3 HIS 43 2HB HIS 43 -5.017 -3.392 -11.259 330 HD1 HIS 43 1HD HIS 43 -2.367 -3.233 -12.283 331 HD2 HIS 43 2HD HIS 43 -5.369 -4.538 -14.937 332 HE1 HIS 43 1HE HIS 43 -1.174 -4.298 -14.246 333 H LEU 44 H LEU 44 -5.411 -5.681 -11.858 334 HA LEU 44 HA LEU 44 -7.840 -7.266 -11.200 335 HB2 LEU 44 1HB LEU 44 -5.023 -8.096 -11.835 336 HB3 LEU 44 2HB LEU 44 -6.311 -9.193 -11.367 337 HG LEU 44 HG LEU 44 -7.664 -8.307 -13.377 338 HD11 LEU 44 1HD1 LEU 44 -6.373 -6.397 -14.127 339 HD12 LEU 44 2HD1 LEU 44 -6.108 -7.663 -15.315 340 HD13 LEU 44 3HD1 LEU 44 -4.851 -7.349 -14.096 341 HD21 LEU 44 3HD2 LEU 44 -6.554 -9.924 -14.828 342 HD22 LEU 44 1HD2 LEU 44 -6.572 -10.529 -13.166 343 HD23 LEU 44 2HD2 LEU 44 -5.076 -9.787 -13.848 344 H LEU 45 H LEU 45 -7.074 -9.150 -9.477 345 HA LEU 45 HA LEU 45 -5.390 -8.015 -7.346 346 HB2 LEU 45 1HB LEU 45 -8.105 -9.350 -7.053 347 HB3 LEU 45 2HB LEU 45 -6.959 -9.278 -5.742 348 HG LEU 45 HG LEU 45 -7.941 -6.743 -7.145 349 HD11 LEU 45 1HD1 LEU 45 -9.564 -6.499 -5.368 350 HD12 LEU 45 2HD1 LEU 45 -9.004 -7.997 -4.586 351 HD13 LEU 45 3HD1 LEU 45 -9.832 -8.048 -6.161 352 HD21 LEU 45 3HD2 LEU 45 -7.149 -5.619 -5.120 353 HD22 LEU 45 1HD2 LEU 45 -5.826 -6.537 -5.818 354 HD23 LEU 45 2HD2 LEU 45 -6.682 -7.177 -4.401 355 H GLN 46 H GLN 46 -3.749 -9.457 -6.998 356 HA GLN 46 HA GLN 46 -4.060 -12.278 -7.952 357 HB2 GLN 46 1HB GLN 46 -1.605 -10.488 -7.761 358 HB3 GLN 46 2HB GLN 46 -1.603 -12.173 -8.289 359 HG2 GLN 46 1HG GLN 46 -2.784 -11.655 -10.300 360 HG3 GLN 46 2HG GLN 46 -3.321 -10.105 -9.710 361 HE21 GLN 46 1HE2 GLN 46 -1.997 -8.337 -9.997 362 HE22 GLN 46 2HE2 GLN 46 -0.321 -8.502 -10.467 363 H TYR 47 H TYR 47 -3.494 -13.867 -6.519 364 HA TYR 47 HA TYR 47 -3.212 -13.280 -3.707 365 HB2 TYR 47 1HB TYR 47 -2.372 -15.856 -5.129 366 HB3 TYR 47 2HB TYR 47 -2.507 -15.629 -3.402 367 HD1 TYR 47 1HD TYR 47 -4.899 -14.547 -2.693 368 HD2 TYR 47 2HD TYR 47 -4.102 -17.209 -6.001 369 HE1 TYR 47 1HE TYR 47 -7.288 -15.177 -2.776 370 HE2 TYR 47 2HE TYR 47 -6.497 -17.857 -6.069 371 HH TYR 47 HH TYR 47 -8.529 -17.762 -4.819 372 H GLY 48 H GLY 48 -1.452 -12.197 -3.012 373 HA2 GLY 48 1HA GLY 48 0.994 -12.667 -2.547 374 HA3 GLY 48 2HA GLY 48 1.220 -12.642 -4.285 375 H ASP 49 H ASP 49 -1.069 -10.431 -4.124 376 HA ASP 49 HA ASP 49 0.467 -8.360 -5.014 377 HB2 ASP 49 1HB ASP 49 -2.313 -8.755 -4.015 378 HB3 ASP 49 2HB ASP 49 -1.826 -7.102 -4.129 379 H LYS 50 H LYS 50 0.264 -9.096 -1.797 380 HA LYS 50 HA LYS 50 0.768 -8.256 0.189 381 HB2 LYS 50 1HB LYS 50 2.832 -7.951 -1.455 382 HB3 LYS 50 2HB LYS 50 2.569 -6.233 -1.142 383 HG2 LYS 50 1HG LYS 50 3.012 -6.450 1.183 384 HG3 LYS 50 2HG LYS 50 2.875 -8.217 1.150 385 HD2 LYS 50 1HD LYS 50 4.997 -6.729 -0.422 386 HD3 LYS 50 2HD LYS 50 5.257 -7.285 1.234 387 HE2 LYS 50 1HE LYS 50 5.399 -9.487 0.675 388 HE3 LYS 50 2HE LYS 50 4.138 -9.371 -0.573 389 HZ1 LYS 50 3HZ LYS 50 6.881 -8.376 -0.936 390 HZ2 LYS 50 1HZ LYS 50 5.687 -8.470 -2.087 391 HZ3 LYS 50 2HZ LYS 50 6.334 -9.840 -1.477 392 H LEU 51 H LEU 51 -0.132 -6.904 1.645 393 HA LEU 51 HA LEU 51 -0.656 -4.035 0.937 394 HB2 LEU 51 1HB LEU 51 -2.221 -5.919 2.677 395 HB3 LEU 51 2HB LEU 51 -1.881 -4.335 3.323 396 HG LEU 51 HG LEU 51 -4.001 -4.196 2.368 397 HD11 LEU 51 1HD1 LEU 51 -2.380 -3.000 0.110 398 HD12 LEU 51 2HD1 LEU 51 -2.450 -2.283 1.735 399 HD13 LEU 51 3HD1 LEU 51 -3.929 -2.466 0.772 400 HD21 LEU 51 3HD2 LEU 51 -4.616 -4.830 0.099 401 HD22 LEU 51 1HD2 LEU 51 -4.000 -6.209 1.027 402 HD23 LEU 51 2HD2 LEU 51 -2.962 -5.437 -0.185 403 H VAL 52 H VAL 52 0.193 -2.585 2.271 404 HA VAL 52 HA VAL 52 1.710 -3.337 4.660 405 HB VAL 52 HB VAL 52 2.656 -1.638 2.311 406 HG11 VAL 52 1HG1 VAL 52 3.685 -1.447 5.171 407 HG12 VAL 52 2HG1 VAL 52 4.540 -0.835 3.739 408 HG13 VAL 52 3HG1 VAL 52 2.988 -0.146 4.202 409 HG21 VAL 52 3HG2 VAL 52 3.343 -3.955 2.286 410 HG22 VAL 52 1HG2 VAL 52 4.731 -2.931 2.676 411 HG23 VAL 52 2HG2 VAL 52 3.916 -3.831 3.963 412 H ASP 53 H ASP 53 1.417 -1.677 6.307 413 HA ASP 53 HA ASP 53 -0.582 0.406 5.708 414 HB2 ASP 53 1HB ASP 53 -1.874 -0.219 7.484 415 HB3 ASP 53 2HB ASP 53 -1.434 -1.770 6.807 416 H SER 54 H SER 54 -0.725 1.780 7.863 417 HA SER 54 HA SER 54 1.829 3.101 8.136 418 HB2 SER 54 1HB SER 54 -0.690 3.511 9.769 419 HB3 SER 54 2HB SER 54 0.655 4.607 9.610 420 HG SER 54 HG SER 54 -0.838 3.801 7.319 421 H ASN 55 H ASN 55 0.714 0.268 9.739 422 HA ASN 55 HA ASN 55 2.245 0.758 12.223 423 HB2 ASN 55 1HB ASN 55 0.552 -1.595 11.280 424 HB3 ASN 55 2HB ASN 55 1.583 -1.651 12.672 425 HD21 ASN 55 1HD2 ASN 55 -1.577 -0.636 11.567 426 HD22 ASN 55 2HD2 ASN 55 -2.061 -0.109 13.156 427 H PHE 56 H PHE 56 2.803 -0.158 8.981 428 HA PHE 56 HA PHE 56 4.446 -1.245 7.885 429 HB2 PHE 56 1HB PHE 56 5.936 -1.029 10.553 430 HB3 PHE 56 2HB PHE 56 6.598 -1.829 9.179 431 HD1 PHE 56 1HD PHE 56 4.893 1.494 9.868 432 HD2 PHE 56 2HD PHE 56 8.156 -0.607 7.961 433 HE1 PHE 56 1HE PHE 56 5.728 3.602 8.961 434 HE2 PHE 56 2HE PHE 56 9.028 1.547 7.113 435 HZ PHE 56 HZ PHE 56 7.785 3.696 7.608 436 H HIS 57 H HIS 57 2.140 -2.580 9.293 437 HA HIS 57 HA HIS 57 3.109 -5.344 9.710 438 HB2 HIS 57 1HB HIS 57 0.326 -4.147 9.418 439 HB3 HIS 57 2HB HIS 57 0.700 -5.845 9.731 440 HD1 HIS 57 1HD HIS 57 -1.044 -3.882 11.661 441 HD2 HIS 57 2HD HIS 57 2.997 -5.073 12.076 442 HE1 HIS 57 1HE HIS 57 -0.543 -3.892 14.173 443 H CYS 58 H CYS 58 3.770 -6.474 7.873 444 HA CYS 58 HA CYS 58 2.613 -5.735 5.270 445 HB2 CYS 58 1HB CYS 58 4.222 -8.209 5.961 446 HB3 CYS 58 2HB CYS 58 3.934 -7.516 4.355 447 HG CYS 58 HG CYS 58 5.977 -6.886 6.743 448 H PHE 59 H PHE 59 1.221 -7.116 4.135 449 HA PHE 59 HA PHE 59 0.159 -9.556 5.440 450 HB2 PHE 59 1HB PHE 59 -1.427 -7.312 4.130 451 HB3 PHE 59 2HB PHE 59 -2.106 -8.844 4.612 452 HD1 PHE 59 1HD PHE 59 -1.988 -9.453 7.164 453 HD2 PHE 59 2HD PHE 59 -1.165 -5.496 5.654 454 HE1 PHE 59 1HE PHE 59 -2.114 -8.550 9.457 455 HE2 PHE 59 2HE PHE 59 -1.330 -4.589 7.927 456 HZ PHE 59 HZ PHE 59 -1.725 -6.103 9.857 457 H VAL 60 H VAL 60 -0.584 -11.073 3.814 458 HA VAL 60 HA VAL 60 -0.159 -10.525 0.981 459 HB VAL 60 HB VAL 60 1.142 -12.779 2.560 460 HG11 VAL 60 1HG1 VAL 60 0.836 -12.506 -0.454 461 HG12 VAL 60 2HG1 VAL 60 1.915 -13.666 0.359 462 HG13 VAL 60 3HG1 VAL 60 0.174 -13.804 0.564 463 HG21 VAL 60 3HG2 VAL 60 2.468 -10.661 2.360 464 HG22 VAL 60 1HG2 VAL 60 3.210 -11.992 1.475 465 HG23 VAL 60 2HG2 VAL 60 2.302 -10.740 0.594 466 H LEU 61 H LEU 61 -1.544 -11.662 -0.239 467 HA LEU 61 HA LEU 61 -4.102 -12.477 0.893 468 HB2 LEU 61 1HB LEU 61 -3.454 -11.067 -1.238 469 HB3 LEU 61 2HB LEU 61 -3.080 -12.576 -1.939 470 HG LEU 61 HG LEU 61 -5.569 -11.309 -1.320 471 HD11 LEU 61 1HD1 LEU 61 -5.438 -12.778 -3.810 472 HD12 LEU 61 2HD1 LEU 61 -4.624 -11.236 -3.523 473 HD13 LEU 61 3HD1 LEU 61 -6.360 -11.366 -3.332 474 HD21 LEU 61 3HD2 LEU 61 -6.431 -12.700 0.013 475 HD22 LEU 61 1HD2 LEU 61 -5.868 -14.065 -0.921 476 HD23 LEU 61 2HD2 LEU 61 -7.154 -13.058 -1.578 477 H GLU 62 H GLU 62 -4.802 -14.679 1.099 478 HA GLU 62 HA GLU 62 -3.067 -16.789 -0.058 479 HB2 GLU 62 1HB GLU 62 -5.072 -17.187 2.118 480 HB3 GLU 62 2HB GLU 62 -3.933 -18.354 1.463 481 HG2 GLU 62 1HG GLU 62 -2.383 -16.059 2.180 482 HG3 GLU 62 2HG GLU 62 -3.538 -16.212 3.353 483 H GLU 63 H GLU 63 -4.385 -18.845 -0.785 484 HA GLU 63 HA GLU 63 -6.395 -18.185 -2.639 485 HB2 GLU 63 1HB GLU 63 -6.054 -20.940 -1.417 486 HB3 GLU 63 2HB GLU 63 -6.730 -20.519 -2.984 487 HG2 GLU 63 1HG GLU 63 -4.686 -21.078 -3.748 488 HG3 GLU 63 2HG GLU 63 -4.269 -19.422 -3.324 489 H ASP 64 H ASP 64 -6.702 -18.513 0.707 490 HA ASP 64 HA ASP 64 -9.547 -19.157 0.905 491 HB2 ASP 64 1HB ASP 64 -7.270 -18.539 2.730 492 HB3 ASP 64 2HB ASP 64 -8.856 -18.021 3.298 493 H ALA 65 H ALA 65 -7.901 -16.278 -0.223 494 HA ALA 65 HA ALA 65 -8.685 -14.403 -0.866 495 HB1 ALA 65 1HB ALA 65 -11.295 -14.636 0.635 496 HB2 ALA 65 2HB ALA 65 -10.887 -13.600 -0.723 497 HB3 ALA 65 3HB ALA 65 -11.064 -15.347 -0.977 498 H HIS 66 H HIS 66 -8.280 -15.483 2.341 499 HA HIS 66 HA HIS 66 -8.483 -12.839 3.480 500 HB2 HIS 66 1HB HIS 66 -7.598 -13.785 5.565 501 HB3 HIS 66 2HB HIS 66 -9.045 -14.568 4.986 502 HD1 HIS 66 1HD HIS 66 -8.573 -16.791 6.377 503 HD2 HIS 66 2HD HIS 66 -5.516 -15.632 3.672 504 HE1 HIS 66 1HE HIS 66 -7.035 -18.744 6.177 505 H TRP 67 H TRP 67 -6.907 -11.746 4.571 506 HA TRP 67 HA TRP 67 -4.306 -11.713 3.155 507 HB2 TRP 67 1HB TRP 67 -6.035 -9.566 4.426 508 HB3 TRP 67 2HB TRP 67 -4.316 -9.342 4.164 509 HD1 TRP 67 HD TRP 67 -7.562 -9.811 2.111 510 HE1 TRP 67 1HE TRP 67 -7.077 -9.024 -0.316 511 HE3 TRP 67 3HE TRP 67 -2.536 -9.229 2.432 512 HZ2 TRP 67 2HZ TRP 67 -4.790 -8.318 -1.911 513 HZ3 TRP 67 3HZ TRP 67 -1.224 -8.573 0.518 514 HH2 TRP 67 HH TRP 67 -2.333 -8.019 -1.700 515 H HIS 68 H HIS 68 -3.114 -13.090 4.307 516 HA HIS 68 HA HIS 68 -3.362 -13.269 7.248 517 HB2 HIS 68 1HB HIS 68 -2.462 -15.056 5.060 518 HB3 HIS 68 2HB HIS 68 -1.324 -14.983 6.393 519 HD1 HIS 68 1HD HIS 68 -1.879 -17.327 7.503 520 HD2 HIS 68 2HD HIS 68 -5.208 -14.851 6.822 521 HE1 HIS 68 1HE HIS 68 -3.779 -18.283 8.899 522 HA PRO 69 HA PRO 69 -0.038 -10.643 8.017 523 HB2 PRO 69 1HB PRO 69 1.243 -11.706 10.175 524 HB3 PRO 69 2HB PRO 69 -0.449 -11.117 10.256 525 HG2 PRO 69 1HG PRO 69 0.542 -13.962 9.912 526 HG3 PRO 69 2HG PRO 69 -0.720 -13.342 11.035 527 HD2 PRO 69 1HD PRO 69 -1.301 -14.471 8.610 528 HD3 PRO 69 2HD PRO 69 -2.288 -13.167 9.317 529 H ALA 70 H ALA 70 2.169 -10.253 7.619 530 HA ALA 70 HA ALA 70 3.763 -12.486 6.481 531 HB1 ALA 70 1HB ALA 70 2.281 -11.429 4.741 532 HB2 ALA 70 2HB ALA 70 3.151 -9.911 4.994 533 HB3 ALA 70 3HB ALA 70 4.013 -11.366 4.404 534 H ALA 71 H ALA 71 4.086 -11.201 8.932 535 HA ALA 71 HA ALA 71 5.548 -10.322 10.348 536 HB1 ALA 71 1HB ALA 71 7.515 -10.298 8.038 537 HB2 ALA 71 2HB ALA 71 7.933 -10.188 9.744 538 HB3 ALA 71 3HB ALA 71 7.201 -11.673 9.124 539 HA PRO 72 HA PRO 72 5.510 -5.899 9.833 540 HB2 PRO 72 1HB PRO 72 7.527 -4.959 11.401 541 HB3 PRO 72 2HB PRO 72 5.995 -5.625 12.067 542 HG2 PRO 72 1HG PRO 72 8.635 -7.084 11.679 543 HG3 PRO 72 2HG PRO 72 7.615 -7.027 13.155 544 HD2 PRO 72 1HD PRO 72 7.436 -9.097 11.440 545 HD3 PRO 72 2HD PRO 72 5.959 -8.421 12.164 546 H LEU 73 H LEU 73 7.216 -4.012 9.411 547 HA LEU 73 HA LEU 73 9.089 -4.854 7.275 548 HB2 LEU 73 1HB LEU 73 6.826 -4.266 6.602 549 HB3 LEU 73 2HB LEU 73 6.990 -2.668 7.263 550 HG LEU 73 HG LEU 73 8.937 -3.590 5.161 551 HD11 LEU 73 1HD1 LEU 73 6.758 -4.023 4.056 552 HD12 LEU 73 2HD1 LEU 73 7.505 -2.545 3.399 553 HD13 LEU 73 3HD1 LEU 73 6.193 -2.416 4.572 554 HD21 LEU 73 3HD2 LEU 73 8.992 -1.275 4.677 555 HD22 LEU 73 1HD2 LEU 73 9.267 -1.625 6.381 556 HD23 LEU 73 2HD2 LEU 73 7.702 -0.936 5.825 557 HA PRO 74 HA PRO 74 11.880 -2.298 9.586 558 HB2 PRO 74 1HB PRO 74 14.020 -2.135 7.882 559 HB3 PRO 74 2HB PRO 74 13.501 -3.663 8.630 560 HG2 PRO 74 1HG PRO 74 12.957 -2.686 5.843 561 HG3 PRO 74 2HG PRO 74 13.420 -4.326 6.383 562 HD2 PRO 74 1HD PRO 74 10.828 -3.523 5.864 563 HD3 PRO 74 2HD PRO 74 11.253 -4.853 6.953 564 HA PRO 75 HA PRO 75 11.311 1.902 8.472 565 HB2 PRO 75 1HB PRO 75 13.757 3.174 8.931 566 HB3 PRO 75 2HB PRO 75 12.562 2.720 10.177 567 HG2 PRO 75 1HG PRO 75 15.013 1.195 9.271 568 HG3 PRO 75 2HG PRO 75 14.457 1.529 10.940 569 HD2 PRO 75 1HD PRO 75 13.986 -0.853 9.774 570 HD3 PRO 75 2HD PRO 75 12.715 -0.081 10.771 571 H GLU 76 H GLU 76 14.068 0.325 6.867 572 HA GLU 76 HA GLU 76 14.099 2.267 4.655 573 HB2 GLU 76 1HB GLU 76 15.823 0.771 3.732 574 HB3 GLU 76 2HB GLU 76 16.206 1.252 5.387 575 HG2 GLU 76 1HG GLU 76 15.685 -0.868 6.295 576 HG3 GLU 76 2HG GLU 76 14.852 -1.375 4.830 577 H GLY 77 H GLY 77 12.321 -0.697 5.453 578 HA2 GLY 77 1HA GLY 77 12.206 -1.854 2.884 579 HA3 GLY 77 2HA GLY 77 11.063 -2.101 4.192 580 H LEU 78 H LEU 78 10.527 0.806 4.345 581 HA LEU 78 HA LEU 78 8.250 1.092 2.673 582 HB2 LEU 78 1HB LEU 78 8.336 2.263 4.756 583 HB3 LEU 78 2HB LEU 78 9.934 2.932 4.422 584 HG LEU 78 HG LEU 78 9.009 4.453 2.729 585 HD11 LEU 78 1HD1 LEU 78 7.080 3.163 1.918 586 HD12 LEU 78 2HD1 LEU 78 6.563 4.736 2.522 587 HD13 LEU 78 3HD1 LEU 78 6.300 3.282 3.515 588 HD21 LEU 78 3HD2 LEU 78 7.806 5.930 4.266 589 HD22 LEU 78 1HD2 LEU 78 9.155 5.156 5.098 590 HD23 LEU 78 2HD2 LEU 78 7.495 4.571 5.370 591 H ASN 79 H ASN 79 11.590 2.540 2.579 592 HA ASN 79 HA ASN 79 11.192 3.997 0.178 593 HB2 ASN 79 1HB ASN 79 13.827 2.923 1.242 594 HB3 ASN 79 2HB ASN 79 13.582 4.305 0.193 595 HD21 ASN 79 1HD2 ASN 79 12.479 6.398 1.312 596 HD22 ASN 79 2HD2 ASN 79 12.746 6.358 3.057 597 H ASP 80 H ASP 80 12.258 0.718 0.911 598 HA ASP 80 HA ASP 80 13.148 -0.112 -1.687 599 HB2 ASP 80 1HB ASP 80 12.937 -1.120 0.970 600 HB3 ASP 80 2HB ASP 80 11.873 -2.165 0.075 601 H LEU 81 H LEU 81 9.907 -0.126 -0.206 602 HA LEU 81 HA LEU 81 8.589 -1.306 -2.513 603 HB2 LEU 81 1HB LEU 81 7.802 0.044 0.024 604 HB3 LEU 81 2HB LEU 81 6.747 0.388 -1.334 605 HG LEU 81 HG LEU 81 6.321 -1.980 -1.715 606 HD11 LEU 81 1HD1 LEU 81 8.110 -2.490 0.698 607 HD12 LEU 81 2HD1 LEU 81 8.465 -2.985 -0.972 608 HD13 LEU 81 3HD1 LEU 81 7.100 -3.705 -0.111 609 HD21 LEU 81 3HD2 LEU 81 6.052 -1.210 1.223 610 HD22 LEU 81 1HD2 LEU 81 5.061 -2.420 0.357 611 HD23 LEU 81 2HD2 LEU 81 4.943 -0.711 -0.069 612 H ILE 82 H ILE 82 8.729 2.063 -1.338 613 HA ILE 82 HA ILE 82 7.548 3.272 -3.534 614 HB ILE 82 HB ILE 82 9.518 4.272 -1.463 615 HG12 ILE 82 1HG1 ILE 82 7.215 3.443 -0.747 616 HG13 ILE 82 2HG1 ILE 82 7.659 5.058 -0.243 617 HG21 ILE 82 1HG2 ILE 82 8.021 5.956 -3.502 618 HG22 ILE 82 2HG2 ILE 82 8.737 6.586 -2.006 619 HG23 ILE 82 3HG2 ILE 82 9.773 5.862 -3.234 620 HD11 ILE 82 3HD1 ILE 82 6.199 6.076 -1.874 621 HD12 ILE 82 1HD1 ILE 82 5.903 4.516 -2.677 622 HD13 ILE 82 2HD1 ILE 82 5.287 4.811 -1.048 623 H ARG 83 H ARG 83 10.927 2.351 -3.210 624 HA ARG 83 HA ARG 83 12.201 3.679 -5.243 625 HB2 ARG 83 1HB ARG 83 12.464 1.105 -3.805 626 HB3 ARG 83 2HB ARG 83 13.051 0.946 -5.401 627 HG2 ARG 83 1HG ARG 83 14.156 3.435 -4.428 628 HG3 ARG 83 2HG ARG 83 14.254 2.267 -3.114 629 HD2 ARG 83 1HD ARG 83 16.284 2.100 -4.366 630 HD3 ARG 83 2HD ARG 83 15.331 0.648 -4.689 631 HE ARG 83 HE ARG 83 15.050 2.901 -6.593 632 HH11 ARG 83 1HH1 ARG 83 16.653 -0.234 -5.923 633 HH12 ARG 83 2HH1 ARG 83 17.119 -0.458 -7.573 634 HH21 ARG 83 1HH2 ARG 83 15.732 2.543 -8.816 635 HH22 ARG 83 2HH2 ARG 83 16.638 1.121 -9.172 636 H ALA 84 H ALA 84 10.014 0.858 -5.670 637 HA ALA 84 HA ALA 84 10.424 0.695 -8.505 638 HB1 ALA 84 1HB ALA 84 7.999 -0.235 -6.917 639 HB2 ALA 84 2HB ALA 84 8.595 -0.880 -8.466 640 HB3 ALA 84 3HB ALA 84 9.534 -1.131 -7.006 641 H HIS 85 H HIS 85 7.881 2.329 -6.629 642 HA HIS 85 HA HIS 85 6.422 3.361 -8.795 643 HB2 HIS 85 1HB HIS 85 5.743 3.325 -6.406 644 HB3 HIS 85 2HB HIS 85 6.842 4.653 -6.067 645 HD1 HIS 85 1HD HIS 85 3.183 4.293 -6.696 646 HD2 HIS 85 2HD HIS 85 6.305 6.933 -7.855 647 HE1 HIS 85 1HE HIS 85 2.119 6.319 -7.546 648 H CYS 86 H CYS 86 9.183 4.789 -7.024 649 HA CYS 86 HA CYS 86 9.204 7.248 -8.645 650 HB2 CYS 86 1HB CYS 86 11.253 5.943 -6.795 651 HB3 CYS 86 2HB CYS 86 11.431 7.534 -7.533 652 HG CYS 86 HG CYS 86 9.051 8.429 -6.648 653 H ALA 87 H ALA 87 10.704 4.008 -8.983 654 HA ALA 87 HA ALA 87 12.522 4.827 -11.061 655 HB1 ALA 87 1HB ALA 87 11.484 2.106 -10.156 656 HB2 ALA 87 2HB ALA 87 12.768 2.349 -11.338 657 HB3 ALA 87 3HB ALA 87 13.008 2.894 -9.666 658 H THR 88 H THR 88 9.095 4.133 -11.085 659 HA THR 88 HA THR 88 9.203 3.536 -13.988 660 HB THR 88 HB THR 88 7.979 2.057 -12.475 661 HG1 THR 88 1HG THR 88 6.071 3.089 -14.217 662 HG21 THR 88 3HG2 THR 88 6.839 3.454 -10.921 663 HG22 THR 88 1HG2 THR 88 5.621 2.619 -11.872 664 HG23 THR 88 2HG2 THR 88 5.973 4.323 -12.212 665 H LEU 89 H LEU 89 8.630 6.206 -11.882 666 HA LEU 89 HA LEU 89 7.423 7.802 -14.105 667 HB2 LEU 89 1HB LEU 89 7.614 8.391 -11.121 668 HB3 LEU 89 2HB LEU 89 6.836 9.410 -12.327 669 HG LEU 89 HG LEU 89 5.966 6.577 -11.606 670 HD11 LEU 89 1HD1 LEU 89 4.117 7.585 -10.451 671 HD12 LEU 89 2HD1 LEU 89 4.653 9.221 -10.900 672 HD13 LEU 89 3HD1 LEU 89 5.629 8.219 -9.800 673 HD21 LEU 89 3HD2 LEU 89 4.636 8.648 -13.411 674 HD22 LEU 89 1HD2 LEU 89 3.893 7.132 -12.881 675 HD23 LEU 89 2HD2 LEU 89 5.313 7.086 -13.927 676 H GLY 90 H GLY 90 10.109 7.738 -11.735 677 HA2 GLY 90 1HA GLY 90 12.275 8.499 -12.254 678 HA3 GLY 90 2HA GLY 90 11.593 9.689 -13.376 679 H HIS 91 H HIS 91 11.426 8.777 -9.918 680 HA HIS 91 HA HIS 91 11.816 11.642 -9.217 681 HB2 HIS 91 1HB HIS 91 9.492 9.892 -8.441 682 HB3 HIS 91 2HB HIS 91 10.140 10.958 -7.208 683 HD1 HIS 91 1HD HIS 91 9.684 13.612 -7.497 684 HD2 HIS 91 2HD HIS 91 8.635 11.097 -10.730 685 HE1 HIS 91 1HE HIS 91 8.492 15.091 -9.175 686 H CYS 92 H CYS 92 12.272 11.887 -6.858 687 HA CYS 92 HA CYS 92 13.396 9.620 -5.458 688 HB2 CYS 92 1HB CYS 92 15.475 10.993 -4.882 689 HB3 CYS 92 2HB CYS 92 15.437 10.279 -6.501 690 HG CYS 92 HG CYS 92 14.587 13.392 -5.647 691 H CYS 93 H CYS 93 13.674 10.240 -3.175 692 HA CYS 93 HA CYS 93 12.660 12.811 -2.285 693 HB2 CYS 93 1HB CYS 93 10.802 11.097 -2.220 694 HB3 CYS 93 2HB CYS 93 11.552 10.660 -0.697 695 HG CYS 93 HG CYS 93 10.313 12.404 0.420 696 H THR 94 H THR 94 13.445 13.543 -0.352 697 HA THR 94 HA THR 94 15.825 12.168 0.648 698 HB THR 94 HB THR 94 16.883 13.096 -1.240 699 HG1 THR 94 1HG THR 94 18.086 13.354 0.496 700 HG21 THR 94 3HG2 THR 94 15.612 15.797 -0.657 701 HG22 THR 94 1HG2 THR 94 15.412 14.760 -2.090 702 HG23 THR 94 2HG2 THR 94 16.967 15.519 -1.773 703 H SER 95 H SER 95 13.829 15.197 0.620 704 HA SER 95 HA SER 95 14.511 16.309 3.016 705 HB2 SER 95 1HB SER 95 11.712 16.036 1.853 706 HB3 SER 95 2HB SER 95 12.291 17.329 2.918 707 HG SER 95 HG SER 95 12.194 17.535 0.491 708 H LYS 96 H LYS 96 14.895 15.024 4.765 709 HA LYS 96 HA LYS 96 14.601 13.731 6.573 710 HB2 LYS 96 1HB LYS 96 12.708 15.233 7.016 711 HB3 LYS 96 2HB LYS 96 11.612 14.101 6.215 712 HG2 LYS 96 1HG LYS 96 11.951 12.434 7.873 713 HG3 LYS 96 2HG LYS 96 13.337 13.285 8.575 714 HD2 LYS 96 1HD LYS 96 11.991 15.013 9.482 715 HD3 LYS 96 2HD LYS 96 10.579 14.573 8.494 716 HE2 LYS 96 1HE LYS 96 10.268 12.512 9.649 717 HE3 LYS 96 2HE LYS 96 11.826 12.660 10.484 718 HZ1 LYS 96 3HZ LYS 96 9.541 14.488 10.961 719 HZ2 LYS 96 1HZ LYS 96 10.995 14.412 11.789 720 HZ3 LYS 96 2HZ LYS 96 9.900 13.208 11.891 721 H MET 97 H MET 97 15.592 12.285 5.003 722 HA MET 97 HA MET 97 15.993 10.218 4.301 723 HB2 MET 97 1HB MET 97 15.771 9.916 6.679 724 HB3 MET 97 2HB MET 97 14.031 9.614 6.550 725 HG2 MET 97 1HG MET 97 15.435 7.611 6.937 726 HG3 MET 97 2HG MET 97 14.404 7.475 5.546 727 HE1 MET 97 3HE MET 97 16.642 6.205 2.926 728 HE2 MET 97 1HE MET 97 15.312 5.813 4.036 729 HE3 MET 97 2HE MET 97 15.232 7.285 3.044 730 H HIS 98 H HIS 98 14.533 11.314 2.450 731 HA HIS 98 HA HIS 98 13.033 10.976 0.619 732 HB2 HIS 98 1HB HIS 98 13.388 8.183 1.603 733 HB3 HIS 98 2HB HIS 98 11.950 8.555 0.682 734 HD1 HIS 98 1HD HIS 98 15.779 8.189 0.256 735 HD2 HIS 98 2HD HIS 98 12.222 9.014 -1.882 736 HE1 HIS 98 1HE HIS 98 16.281 7.752 -2.182 737 H LEU 99 H LEU 99 11.562 8.931 3.233 738 HA LEU 99 HA LEU 99 9.203 10.738 3.210 739 HB2 LEU 99 1HB LEU 99 9.211 7.773 2.594 740 HB3 LEU 99 2HB LEU 99 7.766 8.735 2.902 741 HG LEU 99 HG LEU 99 9.730 9.266 0.599 742 HD11 LEU 99 1HD1 LEU 99 7.049 7.879 0.608 743 HD12 LEU 99 2HD1 LEU 99 8.634 7.153 0.291 744 HD13 LEU 99 3HD1 LEU 99 7.956 8.360 -0.831 745 HD21 LEU 99 3HD2 LEU 99 7.858 10.680 -0.277 746 HD22 LEU 99 1HD2 LEU 99 8.569 11.330 1.198 747 HD23 LEU 99 2HD2 LEU 99 7.018 10.489 1.282 748 H HIS 100 H HIS 100 9.299 11.385 5.202 749 HA HIS 100 HA HIS 100 10.156 10.335 7.546 750 HB2 HIS 100 1HB HIS 100 9.492 12.560 7.537 751 HB3 HIS 100 2HB HIS 100 8.005 12.237 6.691 752 HD1 HIS 100 1HD HIS 100 6.124 13.077 8.058 753 HD2 HIS 100 2HD HIS 100 8.972 10.884 10.276 754 HE1 HIS 100 1HE HIS 100 5.187 12.830 10.436 755 H SER 101 H SER 101 7.052 9.536 6.084 756 HA SER 101 HA SER 101 6.507 7.394 7.971 757 HB2 SER 101 1HB SER 101 5.965 9.484 9.257 758 HB3 SER 101 2HB SER 101 4.875 9.929 7.934 759 HG SER 101 HG SER 101 4.551 7.531 9.364 760 H VAL 102 H VAL 102 4.336 6.482 7.434 761 HA VAL 102 HA VAL 102 4.035 6.104 4.594 762 HB VAL 102 HB VAL 102 2.413 5.276 7.031 763 HG11 VAL 102 1HG1 VAL 102 1.158 3.764 5.511 764 HG12 VAL 102 2HG1 VAL 102 0.793 5.466 5.258 765 HG13 VAL 102 3HG1 VAL 102 1.869 4.650 4.120 766 HG21 VAL 102 3HG2 VAL 102 4.597 4.185 6.761 767 HG22 VAL 102 1HG2 VAL 102 3.286 3.040 6.448 768 HG23 VAL 102 2HG2 VAL 102 4.185 3.739 5.094 769 H MET 103 H MET 103 2.207 7.977 7.058 770 HA MET 103 HA MET 103 0.229 9.040 5.409 771 HB2 MET 103 1HB MET 103 0.261 9.276 7.818 772 HB3 MET 103 2HB MET 103 1.691 10.304 7.770 773 HG2 MET 103 1HG MET 103 0.536 12.153 7.098 774 HG3 MET 103 2HG MET 103 -0.580 11.233 6.094 775 HE1 MET 103 3HE MET 103 -2.285 9.220 7.956 776 HE2 MET 103 1HE MET 103 -3.573 10.449 7.965 777 HE3 MET 103 2HE MET 103 -2.564 10.257 6.534 778 H ASP 104 H ASP 104 3.521 10.316 5.944 779 HA ASP 104 HA ASP 104 3.162 12.562 4.174 780 HB2 ASP 104 1HB ASP 104 5.401 11.440 5.748 781 HB3 ASP 104 2HB ASP 104 5.916 12.041 4.177 782 H ALA 105 H ALA 105 4.332 9.249 3.665 783 HA ALA 105 HA ALA 105 5.098 9.552 0.951 784 HB1 ALA 105 1HB ALA 105 5.552 7.521 2.394 785 HB2 ALA 105 2HB ALA 105 3.843 7.076 2.212 786 HB3 ALA 105 3HB ALA 105 4.880 7.138 0.790 787 H ILE 106 H ILE 106 1.834 9.088 2.359 788 HA ILE 106 HA ILE 106 0.518 8.549 -0.118 789 HB ILE 106 HB ILE 106 -0.525 9.946 2.380 790 HG12 ILE 106 1HG1 ILE 106 0.139 7.660 2.863 791 HG13 ILE 106 2HG1 ILE 106 -1.587 7.847 2.949 792 HG21 ILE 106 1HG2 ILE 106 -1.995 10.590 0.593 793 HG22 ILE 106 2HG2 ILE 106 -2.107 8.928 -0.005 794 HG23 ILE 106 3HG2 ILE 106 -2.798 9.365 1.572 795 HD11 ILE 106 3HD1 ILE 106 -1.858 6.690 0.795 796 HD12 ILE 106 1HD1 ILE 106 -0.080 6.581 0.622 797 HD13 ILE 106 2HD1 ILE 106 -0.897 5.702 1.902 798 H ASP 107 H ASP 107 1.056 11.746 1.541 799 HA ASP 107 HA ASP 107 -0.248 13.031 -0.691 800 HB2 ASP 107 1HB ASP 107 0.300 13.712 1.955 801 HB3 ASP 107 2HB ASP 107 1.343 14.789 1.093 802 H PHE 108 H PHE 108 3.020 12.331 0.109 803 HA PHE 108 HA PHE 108 4.362 13.924 -1.892 804 HB2 PHE 108 1HB PHE 108 5.661 12.559 -0.303 805 HB3 PHE 108 2HB PHE 108 4.938 11.087 -0.923 806 HD1 PHE 108 2HD PHE 108 7.114 13.960 -1.936 807 HD2 PHE 108 1HD PHE 108 5.865 9.943 -2.799 808 HE1 PHE 108 2HE PHE 108 8.911 13.766 -3.658 809 HE2 PHE 108 1HE PHE 108 7.593 9.767 -4.562 810 HZ PHE 108 HZ PHE 108 9.150 11.683 -4.970 811 H LEU 109 H LEU 109 3.052 10.598 -2.189 812 HA LEU 109 HA LEU 109 3.468 10.482 -5.033 813 HB2 LEU 109 1HB LEU 109 1.539 8.924 -3.279 814 HB3 LEU 109 2HB LEU 109 1.993 8.497 -4.929 815 HG LEU 109 HG LEU 109 3.994 8.638 -2.629 816 HD11 LEU 109 1HD1 LEU 109 3.828 6.180 -2.632 817 HD12 LEU 109 2HD1 LEU 109 2.526 6.286 -3.849 818 HD13 LEU 109 3HD1 LEU 109 2.297 6.967 -2.202 819 HD21 LEU 109 3HD2 LEU 109 5.486 7.398 -4.052 820 HD22 LEU 109 1HD2 LEU 109 4.992 8.890 -4.883 821 HD23 LEU 109 2HD2 LEU 109 4.249 7.352 -5.325 822 H ASN 110 H ASN 110 0.715 11.421 -3.041 823 HA ASN 110 HA ASN 110 -1.159 11.500 -5.133 824 HB2 ASN 110 1HB ASN 110 -1.479 11.692 -2.505 825 HB3 ASN 110 2HB ASN 110 -1.474 13.422 -2.843 826 HD21 ASN 110 1HD2 ASN 110 -3.261 10.353 -3.159 827 HD22 ASN 110 2HD2 ASN 110 -4.661 11.051 -3.910 828 H ALA 111 H ALA 111 1.441 13.715 -4.528 829 HA ALA 111 HA ALA 111 0.192 15.885 -6.102 830 HB1 ALA 111 1HB ALA 111 1.253 16.370 -3.895 831 HB2 ALA 111 2HB ALA 111 2.806 15.801 -4.555 832 HB3 ALA 111 3HB ALA 111 1.992 17.223 -5.258 833 H LEU 112 H LEU 112 2.148 13.164 -6.733 834 HA LEU 112 HA LEU 112 3.849 14.308 -8.774 835 HB2 LEU 112 1HB LEU 112 2.759 11.479 -8.544 836 HB3 LEU 112 2HB LEU 112 4.094 11.995 -9.553 837 HG LEU 112 HG LEU 112 4.079 11.955 -6.516 838 HD11 LEU 112 1HD1 LEU 112 5.841 10.270 -6.775 839 HD12 LEU 112 2HD1 LEU 112 5.736 10.413 -8.548 840 HD13 LEU 112 3HD1 LEU 112 4.370 9.764 -7.625 841 HD21 LEU 112 3HD2 LEU 112 5.386 13.879 -7.136 842 HD22 LEU 112 1HD2 LEU 112 6.225 12.968 -8.411 843 HD23 LEU 112 2HD2 LEU 112 6.499 12.595 -6.688 844 H GLU 113 H GLU 113 0.598 13.004 -8.715 845 HA GLU 113 HA GLU 113 -0.028 13.365 -11.546 846 HB2 GLU 113 1HB GLU 113 -1.440 12.599 -8.983 847 HB3 GLU 113 2HB GLU 113 -2.435 13.074 -10.338 848 HG2 GLU 113 1HG GLU 113 -0.335 10.988 -10.886 849 HG3 GLU 113 2HG GLU 113 -1.673 10.544 -9.840 850 H GLY 114 H GLY 114 -1.972 14.933 -12.082 851 HA2 GLY 114 1HA GLY 114 -3.117 16.630 -10.313 852 HA3 GLY 114 2HA GLY 114 -1.702 17.541 -10.839 Start of MODEL 19 1 H1 MET 1 H MET 1 -16.759 5.513 10.586 2 HA MET 1 HA MET 1 -14.953 4.119 11.314 3 HB2 MET 1 1HB MET 1 -15.332 2.166 12.729 4 HB3 MET 1 2HB MET 1 -15.651 3.688 13.532 5 HG2 MET 1 1HG MET 1 -18.183 3.004 12.580 6 HG3 MET 1 2HG MET 1 -17.474 1.437 12.901 7 HE1 MET 1 3HE MET 1 -18.769 4.848 14.352 8 HE2 MET 1 1HE MET 1 -18.161 4.804 16.018 9 HE3 MET 1 2HE MET 1 -17.022 4.963 14.662 10 H GLY 2 H GLY 2 -14.333 2.549 9.817 11 HA2 GLY 2 1HA GLY 2 -16.443 1.361 8.096 12 HA3 GLY 2 2HA GLY 2 -14.864 1.918 7.529 13 H ALA 3 H ALA 3 -16.431 -0.801 7.960 14 HA ALA 3 HA ALA 3 -14.175 -2.512 8.116 15 HB1 ALA 3 1HB ALA 3 -14.352 -2.337 10.505 16 HB2 ALA 3 2HB ALA 3 -16.127 -2.381 10.454 17 HB3 ALA 3 3HB ALA 3 -15.205 -3.835 10.081 18 H GLY 4 H GLY 4 -15.054 -4.771 7.572 19 HA2 GLY 4 1HA GLY 4 -17.469 -5.702 6.954 20 HA3 GLY 4 2HA GLY 4 -17.391 -4.393 5.770 21 H GLN 5 H GLN 5 -15.338 -4.347 4.395 22 HA GLN 5 HA GLN 5 -14.683 -7.111 3.464 23 HB2 GLN 5 1HB GLN 5 -15.063 -4.659 1.743 24 HB3 GLN 5 2HB GLN 5 -14.860 -6.324 1.214 25 HG2 GLN 5 1HG GLN 5 -17.064 -6.918 2.053 26 HG3 GLN 5 2HG GLN 5 -17.320 -5.256 2.653 27 HE21 GLN 5 1HE2 GLN 5 -19.121 -6.476 0.771 28 HE22 GLN 5 2HE2 GLN 5 -18.894 -5.679 -0.768 29 H THR 6 H THR 6 -13.256 -5.064 5.174 30 HA THR 6 HA THR 6 -10.978 -3.966 3.887 31 HB THR 6 HB THR 6 -10.345 -4.829 6.566 32 HG1 THR 6 1HG THR 6 -12.524 -5.212 6.870 33 HG21 THR 6 3HG2 THR 6 -9.573 -2.700 5.766 34 HG22 THR 6 1HG2 THR 6 -10.609 -2.425 7.154 35 HG23 THR 6 2HG2 THR 6 -11.240 -2.113 5.523 36 HA PRO 7 HA PRO 7 -8.871 -7.680 2.861 37 HB2 PRO 7 1HB PRO 7 -6.198 -6.945 3.005 38 HB3 PRO 7 2HB PRO 7 -7.317 -6.503 1.678 39 HG2 PRO 7 1HG PRO 7 -6.524 -4.855 4.081 40 HG3 PRO 7 2HG PRO 7 -6.659 -4.330 2.371 41 HD2 PRO 7 1HD PRO 7 -8.608 -3.840 4.171 42 HD3 PRO 7 2HD PRO 7 -9.002 -4.255 2.478 43 H HIS 8 H HIS 8 -7.939 -6.069 5.960 44 HA HIS 8 HA HIS 8 -7.994 -8.622 7.290 45 HB2 HIS 8 1HB HIS 8 -5.574 -8.127 6.172 46 HB3 HIS 8 2HB HIS 8 -5.401 -7.060 7.552 47 HD1 HIS 8 1HD HIS 8 -4.702 -8.255 9.753 48 HD2 HIS 8 2HD HIS 8 -6.095 -10.859 6.742 49 HE1 HIS 8 1HE HIS 8 -4.441 -10.592 10.662 50 HA PRO 9 HA PRO 9 -8.811 -5.379 10.407 51 HB2 PRO 9 1HB PRO 9 -8.936 -6.746 12.746 52 HB3 PRO 9 2HB PRO 9 -10.172 -6.937 11.469 53 HG2 PRO 9 1HG PRO 9 -7.768 -8.680 12.025 54 HG3 PRO 9 2HG PRO 9 -9.466 -9.197 11.741 55 HD2 PRO 9 1HD PRO 9 -7.580 -9.227 9.759 56 HD3 PRO 9 2HD PRO 9 -9.287 -8.856 9.427 57 H GLN 10 H GLN 10 -5.983 -7.516 10.892 58 HA GLN 10 HA GLN 10 -4.570 -5.744 12.656 59 HB2 GLN 10 1HB GLN 10 -3.439 -7.624 10.549 60 HB3 GLN 10 2HB GLN 10 -2.447 -6.687 11.592 61 HG2 GLN 10 1HG GLN 10 -4.487 -8.497 12.878 62 HG3 GLN 10 2HG GLN 10 -2.992 -9.168 12.215 63 HE21 GLN 10 1HE2 GLN 10 -0.839 -7.923 12.900 64 HE22 GLN 10 2HE2 GLN 10 -0.866 -7.262 14.528 65 H LEU 11 H LEU 11 -5.454 -5.275 9.343 66 HA LEU 11 HA LEU 11 -3.323 -3.372 8.695 67 HB2 LEU 11 1HB LEU 11 -4.270 -4.752 6.925 68 HB3 LEU 11 2HB LEU 11 -5.888 -4.173 7.271 69 HG LEU 11 HG LEU 11 -4.015 -1.940 6.741 70 HD11 LEU 11 1HD1 LEU 11 -3.945 -2.400 4.258 71 HD12 LEU 11 2HD1 LEU 11 -4.440 -4.069 4.612 72 HD13 LEU 11 3HD1 LEU 11 -2.907 -3.431 5.241 73 HD21 LEU 11 3HD2 LEU 11 -5.803 -1.213 5.242 74 HD22 LEU 11 1HD2 LEU 11 -6.483 -1.684 6.798 75 HD23 LEU 11 2HD2 LEU 11 -6.631 -2.774 5.408 76 H ILE 12 H ILE 12 -3.348 -1.353 9.357 77 HA ILE 12 HA ILE 12 -5.926 -0.017 10.081 78 HB ILE 12 HB ILE 12 -3.201 0.199 11.388 79 HG12 ILE 12 1HG1 ILE 12 -4.341 -1.839 12.106 80 HG13 ILE 12 2HG1 ILE 12 -4.287 -0.673 13.421 81 HG21 ILE 12 1HG2 ILE 12 -4.175 2.390 11.418 82 HG22 ILE 12 2HG2 ILE 12 -5.710 1.750 12.091 83 HG23 ILE 12 3HG2 ILE 12 -4.212 1.701 13.031 84 HD11 ILE 12 3HD1 ILE 12 -6.704 -1.429 11.732 85 HD12 ILE 12 1HD1 ILE 12 -6.419 -1.771 13.437 86 HD13 ILE 12 2HD1 ILE 12 -6.706 -0.110 12.909 87 H TRP 13 H TRP 13 -6.321 1.237 8.416 88 HA TRP 13 HA TRP 13 -4.688 2.158 6.436 89 HB2 TRP 13 1HB TRP 13 -7.072 3.629 7.610 90 HB3 TRP 13 2HB TRP 13 -6.439 3.791 6.002 91 HD1 TRP 13 HD TRP 13 -8.922 1.845 7.953 92 HE1 TRP 13 1HE TRP 13 -10.014 0.072 6.597 93 HE3 TRP 13 3HE TRP 13 -5.808 2.030 3.877 94 HZ2 TRP 13 2HZ TRP 13 -9.503 -1.306 3.994 95 HZ3 TRP 13 3HZ TRP 13 -6.102 0.409 2.025 96 HH2 TRP 13 HH TRP 13 -7.894 -1.296 2.113 97 HA PRO 14 HA PRO 14 -4.706 4.148 4.984 98 HB2 PRO 14 1HB PRO 14 -2.479 5.156 3.894 99 HB3 PRO 14 2HB PRO 14 -3.819 6.183 4.425 100 HG2 PRO 14 1HG PRO 14 -1.291 5.566 5.968 101 HG3 PRO 14 2HG PRO 14 -2.065 7.164 5.695 102 HD2 PRO 14 1HD PRO 14 -2.533 5.817 7.981 103 HD3 PRO 14 2HD PRO 14 -3.883 6.630 7.146 104 H ALA 15 H ALA 15 -3.490 3.091 3.121 105 HA ALA 15 HA ALA 15 -1.380 1.230 3.978 106 HB1 ALA 15 1HB ALA 15 -3.899 0.279 2.564 107 HB2 ALA 15 2HB ALA 15 -2.508 -0.717 3.017 108 HB3 ALA 15 3HB ALA 15 -3.539 -0.001 4.284 109 H LEU 16 H LEU 16 -0.524 0.052 2.102 110 HA LEU 16 HA LEU 16 -0.495 1.596 -0.440 111 HB2 LEU 16 1HB LEU 16 1.744 0.891 1.488 112 HB3 LEU 16 2HB LEU 16 2.089 0.968 -0.233 113 HG LEU 16 HG LEU 16 0.729 3.279 1.194 114 HD11 LEU 16 1HD1 LEU 16 2.851 2.846 2.349 115 HD12 LEU 16 2HD1 LEU 16 2.931 4.347 1.404 116 HD13 LEU 16 3HD1 LEU 16 3.719 2.862 0.803 117 HD21 LEU 16 3HD2 LEU 16 0.731 3.104 -1.369 118 HD22 LEU 16 1HD2 LEU 16 2.491 3.233 -1.288 119 HD23 LEU 16 2HD2 LEU 16 1.478 4.571 -0.709 120 H LEU 17 H LEU 17 -1.221 0.142 -1.887 121 HA LEU 17 HA LEU 17 -0.712 -2.747 -1.559 122 HB2 LEU 17 1HB LEU 17 -2.911 -1.841 -2.428 123 HB3 LEU 17 2HB LEU 17 -2.032 -1.128 -3.751 124 HG LEU 17 HG LEU 17 -1.292 -3.605 -4.320 125 HD11 LEU 17 1HD1 LEU 17 -2.170 -4.689 -2.328 126 HD12 LEU 17 2HD1 LEU 17 -3.097 -5.224 -3.723 127 HD13 LEU 17 3HD1 LEU 17 -3.779 -4.012 -2.599 128 HD21 LEU 17 3HD2 LEU 17 -3.309 -3.879 -5.700 129 HD22 LEU 17 1HD2 LEU 17 -2.673 -2.239 -5.779 130 HD23 LEU 17 2HD2 LEU 17 -4.108 -2.575 -4.790 131 H LYS 18 H LYS 18 0.742 -3.933 -2.916 132 HA LYS 18 HA LYS 18 1.890 -2.544 -5.201 133 HB2 LYS 18 1HB LYS 18 3.429 -2.428 -2.890 134 HB3 LYS 18 2HB LYS 18 4.096 -3.850 -3.697 135 HG2 LYS 18 1HG LYS 18 3.726 -1.140 -5.005 136 HG3 LYS 18 2HG LYS 18 5.233 -1.762 -4.297 137 HD2 LYS 18 1HD LYS 18 3.764 -2.797 -6.740 138 HD3 LYS 18 2HD LYS 18 5.321 -1.987 -6.667 139 HE2 LYS 18 1HE LYS 18 4.685 -4.741 -5.525 140 HE3 LYS 18 2HE LYS 18 5.485 -4.420 -7.040 141 HZ1 LYS 18 3HZ LYS 18 6.525 -3.834 -4.347 142 HZ2 LYS 18 1HZ LYS 18 7.314 -3.339 -5.714 143 HZ3 LYS 18 2HZ LYS 18 7.112 -4.909 -5.393 144 H GLN 19 H GLN 19 0.968 -3.952 -6.563 145 HA GLN 19 HA GLN 19 0.598 -6.742 -6.104 146 HB2 GLN 19 1HB GLN 19 0.762 -5.154 -8.716 147 HB3 GLN 19 2HB GLN 19 0.338 -6.858 -8.599 148 HG2 GLN 19 1HG GLN 19 -1.534 -6.054 -6.941 149 HG3 GLN 19 2HG GLN 19 -1.257 -4.477 -7.695 150 HE21 GLN 19 1HE2 GLN 19 -2.584 -7.677 -8.128 151 HE22 GLN 19 2HE2 GLN 19 -3.414 -7.245 -9.621 152 H GLN 20 H GLN 20 1.766 -8.526 -6.797 153 HA GLN 20 HA GLN 20 4.539 -8.310 -7.199 154 HB2 GLN 20 1HB GLN 20 2.750 -10.362 -6.643 155 HB3 GLN 20 2HB GLN 20 3.185 -10.733 -8.313 156 HG2 GLN 20 1HG GLN 20 5.637 -10.563 -7.556 157 HG3 GLN 20 2HG GLN 20 5.012 -10.487 -5.892 158 HE21 GLN 20 1HE2 GLN 20 3.207 -12.307 -5.535 159 HE22 GLN 20 2HE2 GLN 20 3.540 -13.882 -6.209 160 H GLY 21 H GLY 21 2.213 -7.488 -9.319 161 HA2 GLY 21 1HA GLY 21 3.732 -8.190 -11.801 162 HA3 GLY 21 2HA GLY 21 2.001 -7.891 -11.729 163 H CYS 22 H CYS 22 3.464 -5.461 -9.779 164 HA CYS 22 HA CYS 22 4.146 -3.714 -12.038 165 HB2 CYS 22 1HB CYS 22 1.494 -3.586 -10.827 166 HB3 CYS 22 2HB CYS 22 2.386 -2.199 -10.263 167 HG CYS 22 HG CYS 22 0.872 -1.733 -12.434 168 H ASN 23 H ASN 23 4.634 -1.460 -11.110 169 HA ASN 23 HA ASN 23 6.163 -1.771 -8.575 170 HB2 ASN 23 1HB ASN 23 6.939 0.044 -10.863 171 HB3 ASN 23 2HB ASN 23 7.840 -0.258 -9.467 172 HD21 ASN 23 1HD2 ASN 23 6.721 -1.772 -12.474 173 HD22 ASN 23 2HD2 ASN 23 7.845 -3.108 -12.453 174 H GLU 24 H GLU 24 3.597 -0.135 -10.277 175 HA GLU 24 HA GLU 24 3.828 2.402 -8.948 176 HB2 GLU 24 1HB GLU 24 2.417 1.971 -11.008 177 HB3 GLU 24 2HB GLU 24 1.301 1.060 -9.971 178 HG2 GLU 24 1HG GLU 24 1.087 3.118 -8.508 179 HG3 GLU 24 2HG GLU 24 2.096 3.996 -9.655 180 H LEU 25 H LEU 25 3.688 2.649 -6.795 181 HA LEU 25 HA LEU 25 2.360 0.757 -5.018 182 HB2 LEU 25 1HB LEU 25 3.729 3.465 -4.714 183 HB3 LEU 25 2HB LEU 25 2.717 2.848 -3.444 184 HG LEU 25 HG LEU 25 5.134 2.376 -3.116 185 HD11 LEU 25 1HD1 LEU 25 3.175 0.076 -3.111 186 HD12 LEU 25 2HD1 LEU 25 3.610 1.180 -1.803 187 HD13 LEU 25 3HD1 LEU 25 4.781 -0.004 -2.377 188 HD21 LEU 25 3HD2 LEU 25 6.046 0.294 -4.236 189 HD22 LEU 25 1HD2 LEU 25 6.119 1.822 -5.097 190 HD23 LEU 25 2HD2 LEU 25 4.913 0.605 -5.525 191 H LEU 26 H LEU 26 0.368 0.948 -4.300 192 HA LEU 26 HA LEU 26 -1.375 3.009 -5.496 193 HB2 LEU 26 1HB LEU 26 -1.477 0.145 -5.393 194 HB3 LEU 26 2HB LEU 26 -2.901 0.792 -4.560 195 HG LEU 26 HG LEU 26 -3.260 0.312 -6.916 196 HD11 LEU 26 1HD1 LEU 26 -3.444 3.297 -6.316 197 HD12 LEU 26 2HD1 LEU 26 -4.608 2.069 -5.789 198 HD13 LEU 26 3HD1 LEU 26 -4.392 2.412 -7.516 199 HD21 LEU 26 3HD2 LEU 26 -0.886 0.986 -7.653 200 HD22 LEU 26 1HD2 LEU 26 -1.495 2.642 -7.706 201 HD23 LEU 26 2HD2 LEU 26 -2.254 1.405 -8.713 202 HA PRO 27 HA PRO 27 -1.316 4.126 -1.030 203 HB2 PRO 27 1HB PRO 27 -1.904 6.787 -1.325 204 HB3 PRO 27 2HB PRO 27 -0.265 6.149 -1.669 205 HG2 PRO 27 1HG PRO 27 -2.493 6.673 -3.663 206 HG3 PRO 27 2HG PRO 27 -0.798 7.214 -3.741 207 HD2 PRO 27 1HD PRO 27 -1.623 4.986 -5.020 208 HD3 PRO 27 2HD PRO 27 -0.026 5.034 -4.232 209 H LEU 28 H LEU 28 -3.040 3.958 0.306 210 HA LEU 28 HA LEU 28 -5.784 4.562 -0.731 211 HB2 LEU 28 1HB LEU 28 -4.805 2.169 0.856 212 HB3 LEU 28 2HB LEU 28 -6.484 2.511 0.538 213 HG LEU 28 HG LEU 28 -4.621 2.253 -1.848 214 HD11 LEU 28 1HD1 LEU 28 -3.955 0.379 -0.532 215 HD12 LEU 28 2HD1 LEU 28 -4.972 -0.187 -1.863 216 HD13 LEU 28 3HD1 LEU 28 -5.652 -0.082 -0.220 217 HD21 LEU 28 3HD2 LEU 28 -6.943 2.889 -2.254 218 HD22 LEU 28 1HD2 LEU 28 -7.517 1.461 -1.361 219 HD23 LEU 28 2HD2 LEU 28 -6.627 1.276 -2.889 220 H ARG 29 H ARG 29 -5.913 6.481 0.371 221 HA ARG 29 HA ARG 29 -5.014 7.278 2.832 222 HB2 ARG 29 1HB ARG 29 -7.525 7.863 1.278 223 HB3 ARG 29 2HB ARG 29 -7.366 8.556 2.868 224 HG2 ARG 29 1HG ARG 29 -5.071 8.986 0.963 225 HG3 ARG 29 2HG ARG 29 -6.603 9.787 0.633 226 HD2 ARG 29 1HD ARG 29 -6.551 10.588 3.096 227 HD3 ARG 29 2HD ARG 29 -4.869 10.057 3.105 228 HE ARG 29 HE ARG 29 -4.292 11.755 1.619 229 HH11 ARG 29 1HH1 ARG 29 -7.819 11.948 2.136 230 HH12 ARG 29 2HH1 ARG 29 -7.901 13.640 1.826 231 HH21 ARG 29 1HH2 ARG 29 -4.386 14.015 1.352 232 HH22 ARG 29 2HH2 ARG 29 -5.896 14.830 1.295 233 H THR 30 H THR 30 -8.039 5.363 2.260 234 HA THR 30 HA THR 30 -8.001 4.335 4.906 235 HB THR 30 HB THR 30 -8.791 6.532 5.506 236 HG1 THR 30 1HG THR 30 -10.028 5.866 6.857 237 HG21 THR 30 3HG2 THR 30 -9.884 7.266 3.408 238 HG22 THR 30 1HG2 THR 30 -10.949 7.450 4.816 239 HG23 THR 30 2HG2 THR 30 -11.180 6.095 3.700 240 H ASN 31 H ASN 31 -10.305 3.345 5.265 241 HA ASN 31 HA ASN 31 -10.690 1.195 3.528 242 HB2 ASN 31 1HB ASN 31 -11.592 1.716 5.914 243 HB3 ASN 31 2HB ASN 31 -12.915 2.532 5.131 244 HD21 ASN 31 1HD2 ASN 31 -12.831 0.398 2.784 245 HD22 ASN 31 2HD2 ASN 31 -13.657 -0.956 3.484 246 H ASP 32 H ASP 32 -12.207 4.432 3.473 247 HA ASP 32 HA ASP 32 -14.177 3.936 1.519 248 HB2 ASP 32 1HB ASP 32 -13.834 5.894 3.167 249 HB3 ASP 32 2HB ASP 32 -12.745 6.564 1.951 250 H ASP 33 H ASP 33 -10.711 4.679 1.195 251 HA ASP 33 HA ASP 33 -10.785 5.198 -1.671 252 HB2 ASP 33 1HB ASP 33 -8.526 4.665 0.318 253 HB3 ASP 33 2HB ASP 33 -8.261 4.575 -1.396 254 H TRP 34 H TRP 34 -10.217 2.393 0.457 255 HA TRP 34 HA TRP 34 -9.583 0.518 -1.635 256 HB2 TRP 34 1HB TRP 34 -9.015 0.130 0.646 257 HB3 TRP 34 2HB TRP 34 -10.676 0.181 1.180 258 HD1 TRP 34 HD TRP 34 -12.225 -1.916 0.694 259 HE1 TRP 34 1HE TRP 34 -11.703 -4.389 0.243 260 HE3 TRP 34 3HE TRP 34 -7.312 -1.482 -0.608 261 HZ2 TRP 34 2HZ TRP 34 -9.367 -5.988 -0.327 262 HZ3 TRP 34 3HZ TRP 34 -5.953 -3.482 -1.071 263 HH2 TRP 34 HH TRP 34 -6.954 -5.748 -0.926 264 H GLN 35 H GLN 35 -12.673 1.659 -0.260 265 HA GLN 35 HA GLN 35 -14.363 -0.105 -1.755 266 HB2 GLN 35 1HB GLN 35 -14.962 2.767 -0.978 267 HB3 GLN 35 2HB GLN 35 -16.130 1.588 -1.516 268 HG2 GLN 35 1HG GLN 35 -14.493 1.160 1.005 269 HG3 GLN 35 2HG GLN 35 -15.946 2.126 0.966 270 HE21 GLN 35 1HE2 GLN 35 -17.213 0.786 2.256 271 HE22 GLN 35 2HE2 GLN 35 -17.712 -0.834 1.773 272 H ARG 36 H ARG 36 -13.369 3.257 -2.445 273 HA ARG 36 HA ARG 36 -14.426 3.336 -5.103 274 HB2 ARG 36 1HB ARG 36 -12.332 4.991 -3.666 275 HB3 ARG 36 2HB ARG 36 -12.954 5.368 -5.286 276 HG2 ARG 36 1HG ARG 36 -15.114 5.816 -4.550 277 HG3 ARG 36 2HG ARG 36 -14.882 5.057 -2.973 278 HD2 ARG 36 1HD ARG 36 -13.830 6.899 -2.081 279 HD3 ARG 36 2HD ARG 36 -12.953 7.251 -3.563 280 HE ARG 36 HE ARG 36 -14.645 8.521 -4.404 281 HH11 ARG 36 1HH1 ARG 36 -15.671 7.383 -1.109 282 HH12 ARG 36 2HH1 ARG 36 -17.181 8.224 -1.234 283 HH21 ARG 36 1HH2 ARG 36 -16.546 9.768 -4.341 284 HH22 ARG 36 2HH2 ARG 36 -17.686 9.487 -3.072 285 H PHE 37 H PHE 37 -11.449 1.862 -4.034 286 HA PHE 37 HA PHE 37 -10.065 2.056 -6.502 287 HB2 PHE 37 1HB PHE 37 -9.054 1.252 -4.318 288 HB3 PHE 37 2HB PHE 37 -10.113 -0.155 -4.360 289 HD1 PHE 37 1HD PHE 37 -7.111 1.395 -5.967 290 HD2 PHE 37 2HD PHE 37 -9.540 -2.129 -5.516 291 HE1 PHE 37 1HE PHE 37 -5.394 0.049 -7.157 292 HE2 PHE 37 2HE PHE 37 -7.850 -3.456 -6.754 293 HZ PHE 37 HZ PHE 37 -5.765 -2.373 -7.548 294 H CYS 38 H CYS 38 -11.670 -0.933 -5.308 295 HA CYS 38 HA CYS 38 -11.824 -2.069 -7.944 296 HB2 CYS 38 1HB CYS 38 -12.929 -2.696 -5.203 297 HB3 CYS 38 2HB CYS 38 -13.705 -3.428 -6.595 298 HG CYS 38 HG CYS 38 -10.446 -3.426 -6.002 299 H ALA 39 H ALA 39 -14.026 0.046 -6.118 300 HA ALA 39 HA ALA 39 -16.258 -0.404 -7.857 301 HB1 ALA 39 1HB ALA 39 -17.305 1.348 -6.581 302 HB2 ALA 39 2HB ALA 39 -16.428 0.308 -5.460 303 HB3 ALA 39 3HB ALA 39 -15.755 1.892 -5.917 304 H ASP 40 H ASP 40 -13.277 1.338 -8.446 305 HA ASP 40 HA ASP 40 -14.696 2.507 -10.695 306 HB2 ASP 40 1HB ASP 40 -13.832 4.099 -8.622 307 HB3 ASP 40 2HB ASP 40 -12.388 4.027 -9.569 308 H SER 41 H SER 41 -12.180 0.685 -9.755 309 HA SER 41 HA SER 41 -11.330 0.248 -12.508 310 HB2 SER 41 1HB SER 41 -9.385 1.169 -10.373 311 HB3 SER 41 2HB SER 41 -8.879 0.099 -11.695 312 HG SER 41 HG SER 41 -9.879 2.727 -11.806 313 H LYS 42 H LYS 42 -12.084 -1.763 -12.512 314 HA LYS 42 HA LYS 42 -11.797 -3.647 -10.299 315 HB2 LYS 42 1HB LYS 42 -12.903 -5.233 -11.779 316 HB3 LYS 42 2HB LYS 42 -13.804 -3.733 -11.660 317 HG2 LYS 42 1HG LYS 42 -13.682 -3.353 -13.877 318 HG3 LYS 42 2HG LYS 42 -11.962 -3.590 -13.926 319 HD2 LYS 42 1HD LYS 42 -12.359 -6.093 -13.910 320 HD3 LYS 42 2HD LYS 42 -14.083 -5.746 -14.153 321 HE2 LYS 42 1HE LYS 42 -13.532 -4.545 -16.251 322 HE3 LYS 42 2HE LYS 42 -11.800 -4.784 -15.951 323 HZ1 LYS 42 3HZ LYS 42 -12.606 -6.445 -17.476 324 HZ2 LYS 42 1HZ LYS 42 -13.787 -6.913 -16.420 325 HZ3 LYS 42 2HZ LYS 42 -12.218 -7.194 -16.058 326 H HIS 43 H HIS 43 -9.448 -2.857 -10.493 327 HA HIS 43 HA HIS 43 -7.587 -3.702 -12.358 328 HB2 HIS 43 1HB HIS 43 -7.576 -2.407 -9.915 329 HB3 HIS 43 2HB HIS 43 -6.836 -3.927 -9.466 330 HD1 HIS 43 1HD HIS 43 -5.962 -0.609 -10.662 331 HD2 HIS 43 2HD HIS 43 -4.571 -4.560 -11.275 332 HE1 HIS 43 1HE HIS 43 -3.588 -0.411 -11.572 333 H LEU 44 H LEU 44 -6.294 -5.600 -12.546 334 HA LEU 44 HA LEU 44 -7.477 -8.116 -11.985 335 HB2 LEU 44 1HB LEU 44 -5.700 -7.297 -13.736 336 HB3 LEU 44 2HB LEU 44 -4.546 -7.706 -12.443 337 HG LEU 44 HG LEU 44 -6.675 -9.645 -13.449 338 HD11 LEU 44 1HD1 LEU 44 -5.338 -8.994 -15.380 339 HD12 LEU 44 2HD1 LEU 44 -4.923 -10.644 -14.895 340 HD13 LEU 44 3HD1 LEU 44 -3.837 -9.297 -14.477 341 HD21 LEU 44 3HD2 LEU 44 -4.038 -9.862 -12.027 342 HD22 LEU 44 1HD2 LEU 44 -4.939 -11.291 -12.611 343 HD23 LEU 44 2HD2 LEU 44 -5.641 -10.263 -11.356 344 H LEU 45 H LEU 45 -7.322 -9.329 -10.041 345 HA LEU 45 HA LEU 45 -5.490 -8.295 -7.924 346 HB2 LEU 45 1HB LEU 45 -8.254 -9.546 -7.641 347 HB3 LEU 45 2HB LEU 45 -7.167 -9.294 -6.286 348 HG LEU 45 HG LEU 45 -8.024 -6.961 -8.029 349 HD11 LEU 45 1HD1 LEU 45 -10.099 -8.076 -7.227 350 HD12 LEU 45 2HD1 LEU 45 -9.844 -6.497 -6.467 351 HD13 LEU 45 3HD1 LEU 45 -9.483 -7.979 -5.570 352 HD21 LEU 45 3HD2 LEU 45 -7.456 -6.919 -5.053 353 HD22 LEU 45 1HD2 LEU 45 -7.458 -5.582 -6.198 354 HD23 LEU 45 2HD2 LEU 45 -6.148 -6.768 -6.236 355 H GLN 46 H GLN 46 -4.209 -9.900 -6.906 356 HA GLN 46 HA GLN 46 -4.376 -12.663 -8.006 357 HB2 GLN 46 1HB GLN 46 -1.926 -10.846 -8.117 358 HB3 GLN 46 2HB GLN 46 -1.988 -12.536 -8.613 359 HG2 GLN 46 1HG GLN 46 -3.636 -12.004 -10.357 360 HG3 GLN 46 2HG GLN 46 -3.606 -10.298 -9.860 361 HE21 GLN 46 1HE2 GLN 46 -1.055 -9.623 -9.587 362 HE22 GLN 46 2HE2 GLN 46 -0.158 -9.942 -11.077 363 H TYR 47 H TYR 47 -3.203 -14.190 -6.876 364 HA TYR 47 HA TYR 47 -2.702 -13.760 -4.056 365 HB2 TYR 47 1HB TYR 47 -1.551 -15.968 -5.761 366 HB3 TYR 47 2HB TYR 47 -1.858 -15.966 -4.033 367 HD1 TYR 47 1HD TYR 47 -4.654 -14.933 -3.901 368 HD2 TYR 47 2HD TYR 47 -2.880 -17.784 -6.616 369 HE1 TYR 47 1HE TYR 47 -6.860 -15.907 -4.303 370 HE2 TYR 47 2HE TYR 47 -5.096 -18.779 -6.999 371 HH TYR 47 HH TYR 47 -7.308 -18.813 -6.302 372 H GLY 48 H GLY 48 -1.067 -12.650 -3.318 373 HA2 GLY 48 1HA GLY 48 1.446 -12.426 -3.372 374 HA3 GLY 48 2HA GLY 48 1.315 -12.313 -5.102 375 H ASP 49 H ASP 49 -1.355 -10.643 -4.203 376 HA ASP 49 HA ASP 49 -0.441 -8.367 -5.327 377 HB2 ASP 49 1HB ASP 49 -2.886 -9.077 -3.738 378 HB3 ASP 49 2HB ASP 49 -2.600 -7.374 -3.998 379 H LYS 50 H LYS 50 0.005 -9.040 -2.089 380 HA LYS 50 HA LYS 50 0.592 -8.036 -0.201 381 HB2 LYS 50 1HB LYS 50 2.645 -8.305 -1.407 382 HB3 LYS 50 2HB LYS 50 2.414 -6.552 -2.002 383 HG2 LYS 50 1HG LYS 50 3.099 -5.601 -0.120 384 HG3 LYS 50 2HG LYS 50 2.621 -6.918 0.943 385 HD2 LYS 50 1HD LYS 50 4.881 -7.291 -1.008 386 HD3 LYS 50 2HD LYS 50 5.152 -6.498 0.544 387 HE2 LYS 50 1HE LYS 50 4.603 -8.395 1.802 388 HE3 LYS 50 2HE LYS 50 3.678 -9.143 0.480 389 HZ1 LYS 50 3HZ LYS 50 5.571 -9.769 -0.584 390 HZ2 LYS 50 1HZ LYS 50 5.980 -10.079 0.991 391 HZ3 LYS 50 2HZ LYS 50 6.576 -8.748 0.204 392 H LEU 51 H LEU 51 0.363 -6.538 1.291 393 HA LEU 51 HA LEU 51 -0.025 -3.769 0.452 394 HB2 LEU 51 1HB LEU 51 -1.745 -5.493 2.293 395 HB3 LEU 51 2HB LEU 51 -1.643 -3.805 2.689 396 HG LEU 51 HG LEU 51 -2.490 -4.749 -0.079 397 HD11 LEU 51 1HD1 LEU 51 -3.934 -5.859 1.625 398 HD12 LEU 51 2HD1 LEU 51 -4.814 -4.685 0.658 399 HD13 LEU 51 3HD1 LEU 51 -4.314 -4.270 2.315 400 HD21 LEU 51 3HD2 LEU 51 -3.285 -2.252 1.497 401 HD22 LEU 51 1HD2 LEU 51 -3.610 -2.597 -0.214 402 HD23 LEU 51 2HD2 LEU 51 -1.956 -2.299 0.338 403 H VAL 52 H VAL 52 0.573 -2.244 2.180 404 HA VAL 52 HA VAL 52 1.686 -3.334 4.666 405 HB VAL 52 HB VAL 52 3.008 -1.121 3.011 406 HG11 VAL 52 1HG1 VAL 52 3.154 -0.513 5.376 407 HG12 VAL 52 2HG1 VAL 52 3.678 -2.162 5.801 408 HG13 VAL 52 3HG1 VAL 52 4.726 -1.097 4.839 409 HG21 VAL 52 3HG2 VAL 52 4.072 -3.809 3.915 410 HG22 VAL 52 1HG2 VAL 52 3.669 -3.377 2.231 411 HG23 VAL 52 2HG2 VAL 52 5.008 -2.571 3.071 412 H ASP 53 H ASP 53 1.126 -1.834 6.470 413 HA ASP 53 HA ASP 53 -0.746 0.330 5.782 414 HB2 ASP 53 1HB ASP 53 -2.126 -0.393 7.519 415 HB3 ASP 53 2HB ASP 53 -1.705 -1.867 6.676 416 H SER 54 H SER 54 -1.059 1.602 8.008 417 HA SER 54 HA SER 54 1.419 2.921 8.563 418 HB2 SER 54 1HB SER 54 -1.374 2.988 9.735 419 HB3 SER 54 2HB SER 54 -0.065 3.861 10.524 420 HG SER 54 HG SER 54 0.323 5.003 8.625 421 H ASN 55 H ASN 55 0.217 -0.015 9.971 422 HA ASN 55 HA ASN 55 1.739 0.258 12.484 423 HB2 ASN 55 1HB ASN 55 0.502 -2.187 11.158 424 HB3 ASN 55 2HB ASN 55 1.324 -2.175 12.684 425 HD21 ASN 55 1HD2 ASN 55 -1.676 -1.962 11.275 426 HD22 ASN 55 2HD2 ASN 55 -2.541 -1.441 12.719 427 H PHE 56 H PHE 56 2.458 -0.387 9.167 428 HA PHE 56 HA PHE 56 4.193 -1.220 8.027 429 HB2 PHE 56 1HB PHE 56 5.732 -1.437 10.655 430 HB3 PHE 56 2HB PHE 56 6.376 -1.584 9.061 431 HD1 PHE 56 2HD PHE 56 6.436 0.247 7.509 432 HD2 PHE 56 1HD PHE 56 5.246 0.841 11.578 433 HE1 PHE 56 2HE PHE 56 6.916 2.707 7.273 434 HE2 PHE 56 1HE PHE 56 5.701 3.265 11.365 435 HZ PHE 56 HZ PHE 56 6.596 4.196 9.227 436 H HIS 57 H HIS 57 2.005 -2.812 9.281 437 HA HIS 57 HA HIS 57 3.160 -5.519 9.458 438 HB2 HIS 57 1HB HIS 57 0.305 -4.495 9.308 439 HB3 HIS 57 2HB HIS 57 0.799 -6.180 9.517 440 HD1 HIS 57 1HD HIS 57 -1.045 -4.669 11.672 441 HD2 HIS 57 2HD HIS 57 3.158 -5.065 11.783 442 HE1 HIS 57 1HE HIS 57 -0.359 -4.566 14.135 443 H CYS 58 H CYS 58 3.973 -6.261 7.519 444 HA CYS 58 HA CYS 58 2.766 -5.412 4.983 445 HB2 CYS 58 1HB CYS 58 4.632 -7.722 5.575 446 HB3 CYS 58 2HB CYS 58 4.208 -7.090 3.971 447 HG CYS 58 HG CYS 58 5.864 -5.700 6.447 448 H PHE 59 H PHE 59 1.453 -6.797 3.725 449 HA PHE 59 HA PHE 59 0.288 -9.238 4.930 450 HB2 PHE 59 1HB PHE 59 -1.113 -6.783 3.819 451 HB3 PHE 59 2HB PHE 59 -1.960 -8.265 4.153 452 HD1 PHE 59 1HD PHE 59 -1.187 -9.165 6.715 453 HD2 PHE 59 2HD PHE 59 -1.348 -5.086 5.386 454 HE1 PHE 59 1HE PHE 59 -1.495 -8.421 9.075 455 HE2 PHE 59 2HE PHE 59 -1.606 -4.331 7.724 456 HZ PHE 59 HZ PHE 59 -1.703 -5.977 9.556 457 H VAL 60 H VAL 60 -0.616 -10.672 3.111 458 HA VAL 60 HA VAL 60 -0.696 -9.526 0.447 459 HB VAL 60 HB VAL 60 1.501 -10.146 0.514 460 HG11 VAL 60 1HG1 VAL 60 0.988 -12.931 1.423 461 HG12 VAL 60 2HG1 VAL 60 2.549 -12.126 1.040 462 HG13 VAL 60 3HG1 VAL 60 1.602 -11.619 2.458 463 HG21 VAL 60 3HG2 VAL 60 1.750 -11.863 -1.211 464 HG22 VAL 60 1HG2 VAL 60 0.199 -12.578 -0.737 465 HG23 VAL 60 2HG2 VAL 60 0.223 -10.969 -1.526 466 H LEU 61 H LEU 61 -1.783 -10.872 -1.073 467 HA LEU 61 HA LEU 61 -4.147 -12.122 0.134 468 HB2 LEU 61 1HB LEU 61 -4.263 -10.486 -1.818 469 HB3 LEU 61 2HB LEU 61 -3.371 -11.634 -2.773 470 HG LEU 61 HG LEU 61 -5.318 -13.323 -2.225 471 HD11 LEU 61 1HD1 LEU 61 -7.461 -12.370 -1.662 472 HD12 LEU 61 2HD1 LEU 61 -6.767 -10.734 -1.609 473 HD13 LEU 61 3HD1 LEU 61 -6.312 -11.950 -0.393 474 HD21 LEU 61 3HD2 LEU 61 -5.781 -10.933 -4.016 475 HD22 LEU 61 1HD2 LEU 61 -6.785 -12.404 -3.997 476 HD23 LEU 61 2HD2 LEU 61 -5.087 -12.514 -4.431 477 H GLU 62 H GLU 62 -4.679 -14.290 -0.185 478 HA GLU 62 HA GLU 62 -2.439 -16.099 -0.893 479 HB2 GLU 62 1HB GLU 62 -4.487 -16.097 1.221 480 HB3 GLU 62 2HB GLU 62 -3.579 -17.545 0.838 481 HG2 GLU 62 1HG GLU 62 -2.114 -14.872 1.314 482 HG3 GLU 62 2HG GLU 62 -2.678 -15.892 2.585 483 H GLU 63 H GLU 63 -3.364 -18.389 -1.471 484 HA GLU 63 HA GLU 63 -5.162 -18.333 -3.656 485 HB2 GLU 63 1HB GLU 63 -4.214 -20.672 -1.963 486 HB3 GLU 63 2HB GLU 63 -5.095 -20.808 -3.483 487 HG2 GLU 63 1HG GLU 63 -3.274 -19.642 -4.680 488 HG3 GLU 63 2HG GLU 63 -2.371 -19.487 -3.169 489 H ASP 64 H ASP 64 -5.614 -18.836 -0.221 490 HA ASP 64 HA ASP 64 -8.390 -19.706 -0.473 491 HB2 ASP 64 1HB ASP 64 -6.463 -19.419 1.735 492 HB3 ASP 64 2HB ASP 64 -8.125 -18.987 2.169 493 H ALA 65 H ALA 65 -7.059 -16.883 -1.191 494 HA ALA 65 HA ALA 65 -7.640 -14.795 -1.475 495 HB1 ALA 65 1HB ALA 65 -10.437 -15.934 -1.485 496 HB2 ALA 65 2HB ALA 65 -9.893 -14.410 -2.246 497 HB3 ALA 65 3HB ALA 65 -9.288 -15.968 -2.835 498 H HIS 66 H HIS 66 -7.576 -15.784 1.317 499 HA HIS 66 HA HIS 66 -8.615 -13.367 2.678 500 HB2 HIS 66 1HB HIS 66 -7.784 -14.353 4.709 501 HB3 HIS 66 2HB HIS 66 -8.915 -15.434 3.932 502 HD1 HIS 66 1HD HIS 66 -8.036 -17.776 4.765 503 HD2 HIS 66 2HD HIS 66 -5.027 -15.227 3.198 504 HE1 HIS 66 1HE HIS 66 -5.920 -19.147 4.584 505 H TRP 67 H TRP 67 -6.597 -12.600 4.210 506 HA TRP 67 HA TRP 67 -4.245 -12.333 2.445 507 HB2 TRP 67 1HB TRP 67 -5.463 -10.372 4.427 508 HB3 TRP 67 2HB TRP 67 -3.861 -10.203 3.742 509 HD1 TRP 67 HD TRP 67 -7.513 -10.442 2.431 510 HE1 TRP 67 1HE TRP 67 -7.704 -9.163 0.242 511 HE3 TRP 67 3HE TRP 67 -2.698 -8.917 2.013 512 HZ2 TRP 67 2HZ TRP 67 -5.925 -7.645 -1.530 513 HZ3 TRP 67 3HZ TRP 67 -1.914 -7.665 0.013 514 HH2 TRP 67 HH TRP 67 -3.522 -7.007 -1.737 515 H HIS 68 H HIS 68 -2.228 -12.445 3.570 516 HA HIS 68 HA HIS 68 -2.360 -13.592 6.287 517 HB2 HIS 68 1HB HIS 68 -1.062 -14.617 3.801 518 HB3 HIS 68 2HB HIS 68 0.080 -14.466 5.097 519 HD1 HIS 68 1HD HIS 68 -3.155 -16.494 4.308 520 HD2 HIS 68 2HD HIS 68 0.096 -16.253 7.007 521 HE1 HIS 68 1HE HIS 68 -3.202 -18.562 5.626 522 HA PRO 69 HA PRO 69 0.552 -10.342 7.262 523 HB2 PRO 69 1HB PRO 69 1.850 -11.322 9.458 524 HB3 PRO 69 2HB PRO 69 0.145 -10.787 9.477 525 HG2 PRO 69 1HG PRO 69 1.203 -13.614 9.215 526 HG3 PRO 69 2HG PRO 69 -0.124 -13.003 10.254 527 HD2 PRO 69 1HD PRO 69 -0.595 -14.207 7.854 528 HD3 PRO 69 2HD PRO 69 -1.609 -12.864 8.464 529 H ALA 70 H ALA 70 2.113 -9.954 5.889 530 HA ALA 70 HA ALA 70 4.225 -11.901 5.200 531 HB1 ALA 70 1HB ALA 70 4.931 -9.980 3.670 532 HB2 ALA 70 2HB ALA 70 3.404 -10.773 3.320 533 HB3 ALA 70 3HB ALA 70 3.401 -9.196 4.116 534 H ALA 71 H ALA 71 4.067 -11.099 7.954 535 HA ALA 71 HA ALA 71 5.335 -10.473 9.682 536 HB1 ALA 71 1HB ALA 71 7.670 -10.076 7.795 537 HB2 ALA 71 2HB ALA 71 7.699 -10.646 9.469 538 HB3 ALA 71 3HB ALA 71 7.050 -11.684 8.215 539 HA PRO 72 HA PRO 72 5.530 -5.978 9.811 540 HB2 PRO 72 1HB PRO 72 7.407 -5.340 11.663 541 HB3 PRO 72 2HB PRO 72 5.822 -6.085 12.107 542 HG2 PRO 72 1HG PRO 72 8.484 -7.477 11.712 543 HG3 PRO 72 2HG PRO 72 7.363 -7.618 13.094 544 HD2 PRO 72 1HD PRO 72 7.369 -9.409 11.047 545 HD3 PRO 72 2HD PRO 72 5.837 -8.927 11.832 546 H LEU 73 H LEU 73 7.247 -4.145 9.637 547 HA LEU 73 HA LEU 73 9.400 -4.910 7.759 548 HB2 LEU 73 1HB LEU 73 7.101 -4.041 6.854 549 HB3 LEU 73 2HB LEU 73 7.513 -2.533 7.608 550 HG LEU 73 HG LEU 73 9.463 -2.250 6.178 551 HD11 LEU 73 1HD1 LEU 73 8.433 -4.644 4.574 552 HD12 LEU 73 2HD1 LEU 73 9.854 -4.737 5.608 553 HD13 LEU 73 3HD1 LEU 73 9.858 -3.634 4.233 554 HD21 LEU 73 3HD2 LEU 73 8.223 -1.639 4.208 555 HD22 LEU 73 1HD2 LEU 73 7.189 -1.386 5.617 556 HD23 LEU 73 2HD2 LEU 73 6.922 -2.800 4.596 557 HA PRO 74 HA PRO 74 11.657 -2.067 10.455 558 HB2 PRO 74 1HB PRO 74 13.942 -1.606 9.051 559 HB3 PRO 74 2HB PRO 74 13.561 -3.240 9.658 560 HG2 PRO 74 1HG PRO 74 13.045 -2.113 6.909 561 HG3 PRO 74 2HG PRO 74 13.868 -3.625 7.304 562 HD2 PRO 74 1HD PRO 74 11.236 -3.489 6.654 563 HD3 PRO 74 2HD PRO 74 11.831 -4.688 7.820 564 HA PRO 75 HA PRO 75 10.680 2.018 9.056 565 HB2 PRO 75 1HB PRO 75 12.880 3.609 9.671 566 HB3 PRO 75 2HB PRO 75 11.643 3.034 10.826 567 HG2 PRO 75 1HG PRO 75 14.342 1.809 10.259 568 HG3 PRO 75 2HG PRO 75 13.589 2.149 11.855 569 HD2 PRO 75 1HD PRO 75 13.499 -0.326 10.778 570 HD3 PRO 75 2HD PRO 75 12.058 0.342 11.591 571 H GLU 76 H GLU 76 14.044 1.064 7.944 572 HA GLU 76 HA GLU 76 13.857 2.902 5.667 573 HB2 GLU 76 1HB GLU 76 16.001 0.817 6.268 574 HB3 GLU 76 2HB GLU 76 16.080 2.179 5.147 575 HG2 GLU 76 1HG GLU 76 15.538 3.594 7.306 576 HG3 GLU 76 2HG GLU 76 16.126 2.181 8.170 577 H GLY 77 H GLY 77 12.744 -0.180 6.455 578 HA2 GLY 77 1HA GLY 77 12.616 -1.343 3.878 579 HA3 GLY 77 2HA GLY 77 11.477 -1.649 5.195 580 H LEU 78 H LEU 78 10.884 1.421 5.272 581 HA LEU 78 HA LEU 78 8.528 1.425 3.672 582 HB2 LEU 78 1HB LEU 78 8.759 2.883 5.609 583 HB3 LEU 78 2HB LEU 78 10.210 3.628 4.945 584 HG LEU 78 HG LEU 78 8.971 4.774 3.260 585 HD11 LEU 78 1HD1 LEU 78 6.430 3.535 4.409 586 HD12 LEU 78 2HD1 LEU 78 7.121 3.187 2.802 587 HD13 LEU 78 3HD1 LEU 78 6.503 4.799 3.168 588 HD21 LEU 78 3HD2 LEU 78 7.606 6.239 4.771 589 HD22 LEU 78 1HD2 LEU 78 9.197 5.835 5.449 590 HD23 LEU 78 2HD2 LEU 78 7.742 5.015 6.045 591 H ASN 79 H ASN 79 11.670 2.973 3.246 592 HA ASN 79 HA ASN 79 11.262 4.015 0.687 593 HB2 ASN 79 1HB ASN 79 13.927 3.057 1.870 594 HB3 ASN 79 2HB ASN 79 13.693 4.310 0.654 595 HD21 ASN 79 1HD2 ASN 79 14.148 6.388 1.545 596 HD22 ASN 79 2HD2 ASN 79 13.798 6.753 3.201 597 H ASP 80 H ASP 80 11.467 0.660 1.425 598 HA ASP 80 HA ASP 80 12.662 -0.084 -1.197 599 HB2 ASP 80 1HB ASP 80 13.201 -1.624 0.568 600 HB3 ASP 80 2HB ASP 80 11.499 -1.747 1.047 601 H LEU 81 H LEU 81 9.500 0.279 0.428 602 HA LEU 81 HA LEU 81 8.013 -0.953 -1.726 603 HB2 LEU 81 1HB LEU 81 7.265 0.837 0.627 604 HB3 LEU 81 2HB LEU 81 6.116 0.500 -0.625 605 HG LEU 81 HG LEU 81 5.729 -0.934 1.253 606 HD11 LEU 81 1HD1 LEU 81 5.612 -3.097 0.156 607 HD12 LEU 81 2HD1 LEU 81 6.755 -2.564 -1.083 608 HD13 LEU 81 3HD1 LEU 81 5.142 -1.819 -0.972 609 HD21 LEU 81 3HD2 LEU 81 8.070 -1.015 2.002 610 HD22 LEU 81 1HD2 LEU 81 8.431 -2.156 0.679 611 HD23 LEU 81 2HD2 LEU 81 7.288 -2.618 1.971 612 H ILE 82 H ILE 82 8.125 2.498 -0.725 613 HA ILE 82 HA ILE 82 7.056 3.436 -3.156 614 HB ILE 82 HB ILE 82 8.794 4.890 -1.155 615 HG12 ILE 82 1HG1 ILE 82 6.995 4.114 0.093 616 HG13 ILE 82 2HG1 ILE 82 6.626 5.788 -0.271 617 HG21 ILE 82 1HG2 ILE 82 6.999 5.996 -3.351 618 HG22 ILE 82 2HG2 ILE 82 7.592 6.969 -1.986 619 HG23 ILE 82 3HG2 ILE 82 8.739 6.245 -3.105 620 HD11 ILE 82 3HD1 ILE 82 5.220 3.372 -1.277 621 HD12 ILE 82 1HD1 ILE 82 4.565 4.852 -0.602 622 HD13 ILE 82 2HD1 ILE 82 5.175 4.877 -2.257 623 H ARG 83 H ARG 83 10.367 2.424 -2.575 624 HA ARG 83 HA ARG 83 11.825 3.721 -4.500 625 HB2 ARG 83 1HB ARG 83 12.065 1.321 -2.995 626 HB3 ARG 83 2HB ARG 83 12.089 0.752 -4.635 627 HG2 ARG 83 1HG ARG 83 13.830 2.851 -4.814 628 HG3 ARG 83 2HG ARG 83 14.068 2.389 -3.137 629 HD2 ARG 83 1HD ARG 83 15.545 0.904 -3.950 630 HD3 ARG 83 2HD ARG 83 14.141 -0.091 -4.298 631 HE ARG 83 HE ARG 83 14.141 1.018 -6.601 632 HH11 ARG 83 1HH1 ARG 83 17.016 -0.077 -5.034 633 HH12 ARG 83 2HH1 ARG 83 18.126 0.432 -6.229 634 HH21 ARG 83 1HH2 ARG 83 15.548 1.475 -8.395 635 HH22 ARG 83 2HH2 ARG 83 17.247 1.330 -8.241 636 H ALA 84 H ALA 84 9.501 1.051 -4.985 637 HA ALA 84 HA ALA 84 10.209 0.609 -7.714 638 HB1 ALA 84 1HB ALA 84 8.398 -0.998 -7.653 639 HB2 ALA 84 2HB ALA 84 9.104 -1.002 -6.046 640 HB3 ALA 84 3HB ALA 84 7.583 -0.131 -6.337 641 H HIS 85 H HIS 85 7.459 2.265 -6.254 642 HA HIS 85 HA HIS 85 6.194 3.330 -8.490 643 HB2 HIS 85 1HB HIS 85 5.181 3.405 -6.375 644 HB3 HIS 85 2HB HIS 85 6.504 4.286 -5.631 645 HD1 HIS 85 1HD HIS 85 3.085 4.993 -7.091 646 HD2 HIS 85 2HD HIS 85 6.791 6.935 -6.372 647 HE1 HIS 85 1HE HIS 85 2.651 7.428 -7.164 648 H CYS 86 H CYS 86 8.892 4.785 -6.562 649 HA CYS 86 HA CYS 86 9.074 7.127 -8.180 650 HB2 CYS 86 1HB CYS 86 11.124 5.672 -6.447 651 HB3 CYS 86 2HB CYS 86 11.406 7.249 -7.187 652 HG CYS 86 HG CYS 86 9.252 8.416 -6.135 653 H ALA 87 H ALA 87 10.817 3.969 -8.376 654 HA ALA 87 HA ALA 87 12.490 4.728 -10.519 655 HB1 ALA 87 1HB ALA 87 12.949 2.775 -9.174 656 HB2 ALA 87 2HB ALA 87 11.405 2.030 -9.646 657 HB3 ALA 87 3HB ALA 87 12.686 2.252 -10.858 658 H THR 88 H THR 88 9.203 3.297 -10.574 659 HA THR 88 HA THR 88 9.223 3.177 -13.475 660 HB THR 88 HB THR 88 8.100 1.592 -11.875 661 HG1 THR 88 1HG THR 88 6.797 2.600 -14.155 662 HG21 THR 88 3HG2 THR 88 6.875 3.135 -10.493 663 HG22 THR 88 1HG2 THR 88 5.754 2.023 -11.275 664 HG23 THR 88 2HG2 THR 88 5.895 3.692 -11.857 665 H LEU 89 H LEU 89 9.196 5.877 -11.626 666 HA LEU 89 HA LEU 89 7.666 7.365 -13.721 667 HB2 LEU 89 1HB LEU 89 7.884 7.938 -10.751 668 HB3 LEU 89 2HB LEU 89 7.203 9.050 -11.937 669 HG LEU 89 HG LEU 89 6.094 6.266 -11.349 670 HD11 LEU 89 1HD1 LEU 89 5.834 7.740 -9.409 671 HD12 LEU 89 2HD1 LEU 89 4.274 7.422 -10.174 672 HD13 LEU 89 3HD1 LEU 89 5.078 8.982 -10.428 673 HD21 LEU 89 3HD2 LEU 89 4.091 7.048 -12.571 674 HD22 LEU 89 1HD2 LEU 89 5.501 7.021 -13.626 675 HD23 LEU 89 2HD2 LEU 89 4.922 8.563 -12.975 676 H GLY 90 H GLY 90 10.626 6.991 -11.891 677 HA2 GLY 90 1HA GLY 90 12.701 7.752 -12.674 678 HA3 GLY 90 2HA GLY 90 11.937 9.137 -13.451 679 H HIS 91 H HIS 91 10.703 8.580 -10.231 680 HA HIS 91 HA HIS 91 11.795 11.191 -9.466 681 HB2 HIS 91 1HB HIS 91 10.096 9.192 -7.918 682 HB3 HIS 91 2HB HIS 91 10.475 10.819 -7.387 683 HD1 HIS 91 1HD HIS 91 9.716 12.656 -9.747 684 HD2 HIS 91 2HD HIS 91 7.589 9.171 -8.607 685 HE1 HIS 91 1HE HIS 91 7.315 12.945 -10.523 686 H CYS 92 H CYS 92 12.960 11.556 -7.428 687 HA CYS 92 HA CYS 92 14.002 9.272 -5.932 688 HB2 CYS 92 1HB CYS 92 15.673 9.610 -7.789 689 HB3 CYS 92 2HB CYS 92 15.864 11.291 -7.266 690 HG CYS 92 HG CYS 92 17.926 10.144 -6.366 691 H CYS 93 H CYS 93 12.838 10.114 -4.153 692 HA CYS 93 HA CYS 93 12.276 11.407 -2.469 693 HB2 CYS 93 1HB CYS 93 14.167 12.135 -1.034 694 HB3 CYS 93 2HB CYS 93 14.332 10.496 -1.650 695 HG CYS 93 HG CYS 93 16.577 12.082 -1.394 696 H THR 94 H THR 94 13.297 13.734 -1.299 697 HA THR 94 HA THR 94 13.172 15.975 -2.980 698 HB THR 94 HB THR 94 10.946 15.607 -3.526 699 HG1 THR 94 1HG THR 94 9.742 17.112 -2.320 700 HG21 THR 94 3HG2 THR 94 10.224 14.763 -0.690 701 HG22 THR 94 1HG2 THR 94 10.298 13.724 -2.124 702 HG23 THR 94 2HG2 THR 94 9.102 14.999 -2.034 703 H SER 95 H SER 95 11.461 15.578 0.156 704 HA SER 95 HA SER 95 13.712 16.891 1.577 705 HB2 SER 95 1HB SER 95 10.754 16.492 2.042 706 HB3 SER 95 2HB SER 95 11.811 16.638 3.443 707 HG SER 95 HG SER 95 11.680 18.477 1.270 708 H LYS 96 H LYS 96 14.144 15.967 3.734 709 HA LYS 96 HA LYS 96 15.029 14.382 5.023 710 HB2 LYS 96 1HB LYS 96 13.646 13.488 6.399 711 HB3 LYS 96 2HB LYS 96 12.724 14.801 5.709 712 HG2 LYS 96 1HG LYS 96 12.490 11.890 4.951 713 HG3 LYS 96 2HG LYS 96 11.499 12.709 6.140 714 HD2 LYS 96 1HD LYS 96 11.137 14.319 3.912 715 HD3 LYS 96 2HD LYS 96 11.365 12.740 3.176 716 HE2 LYS 96 1HE LYS 96 9.190 12.417 3.498 717 HE3 LYS 96 2HE LYS 96 9.598 12.143 5.214 718 HZ1 LYS 96 3HZ LYS 96 9.216 14.589 5.505 719 HZ2 LYS 96 1HZ LYS 96 7.852 13.817 4.932 720 HZ3 LYS 96 2HZ LYS 96 8.776 14.659 3.921 721 H MET 97 H MET 97 14.530 11.723 5.496 722 HA MET 97 HA MET 97 16.393 10.449 3.692 723 HB2 MET 97 1HB MET 97 14.727 9.067 5.822 724 HB3 MET 97 2HB MET 97 16.300 8.647 5.199 725 HG2 MET 97 1HG MET 97 16.646 9.432 7.368 726 HG3 MET 97 2HG MET 97 17.237 10.703 6.302 727 HE1 MET 97 3HE MET 97 13.319 10.094 7.135 728 HE2 MET 97 1HE MET 97 14.178 9.512 8.576 729 HE3 MET 97 2HE MET 97 13.194 10.986 8.655 730 H HIS 98 H HIS 98 14.588 11.209 1.995 731 HA HIS 98 HA HIS 98 13.090 10.774 0.432 732 HB2 HIS 98 1HB HIS 98 14.153 8.337 0.635 733 HB3 HIS 98 2HB HIS 98 12.504 7.960 1.147 734 HD1 HIS 98 1HD HIS 98 14.199 7.350 -1.732 735 HD2 HIS 98 2HD HIS 98 10.780 9.681 -0.905 736 HE1 HIS 98 1HE HIS 98 12.876 7.493 -3.904 737 H LEU 99 H LEU 99 12.125 9.146 3.491 738 HA LEU 99 HA LEU 99 9.382 10.308 3.457 739 HB2 LEU 99 1HB LEU 99 10.115 7.365 3.411 740 HB3 LEU 99 2HB LEU 99 8.520 8.015 3.807 741 HG LEU 99 HG LEU 99 9.894 8.472 1.124 742 HD11 LEU 99 1HD1 LEU 99 7.695 6.514 1.808 743 HD12 LEU 99 2HD1 LEU 99 9.415 6.114 1.493 744 HD13 LEU 99 3HD1 LEU 99 8.458 6.847 0.225 745 HD21 LEU 99 3HD2 LEU 99 7.064 9.041 2.128 746 HD22 LEU 99 1HD2 LEU 99 7.553 9.086 0.419 747 HD23 LEU 99 2HD2 LEU 99 8.255 10.228 1.550 748 H HIS 100 H HIS 100 8.297 9.548 5.412 749 HA HIS 100 HA HIS 100 10.111 9.659 7.791 750 HB2 HIS 100 1HB HIS 100 9.403 11.888 7.302 751 HB3 HIS 100 2HB HIS 100 7.745 11.379 7.007 752 HD1 HIS 100 1HD HIS 100 6.127 11.119 9.183 753 HD2 HIS 100 2HD HIS 100 10.132 12.364 9.794 754 HE1 HIS 100 1HE HIS 100 6.238 12.051 11.518 755 H SER 101 H SER 101 7.127 8.573 6.281 756 HA SER 101 HA SER 101 6.597 6.429 8.096 757 HB2 SER 101 1HB SER 101 5.106 9.042 8.503 758 HB3 SER 101 2HB SER 101 4.304 7.519 8.852 759 HG SER 101 HG SER 101 6.869 8.108 9.897 760 H VAL 102 H VAL 102 4.316 5.485 7.539 761 HA VAL 102 HA VAL 102 3.916 5.391 4.695 762 HB VAL 102 HB VAL 102 2.174 4.528 7.035 763 HG11 VAL 102 1HG1 VAL 102 1.730 3.950 4.073 764 HG12 VAL 102 2HG1 VAL 102 0.852 3.199 5.425 765 HG13 VAL 102 3HG1 VAL 102 0.665 4.914 5.117 766 HG21 VAL 102 3HG2 VAL 102 4.262 3.281 6.846 767 HG22 VAL 102 1HG2 VAL 102 2.924 2.262 6.321 768 HG23 VAL 102 2HG2 VAL 102 3.978 3.001 5.111 769 H MET 103 H MET 103 2.163 7.118 7.324 770 HA MET 103 HA MET 103 0.312 8.526 5.930 771 HB2 MET 103 1HB MET 103 1.263 8.674 8.489 772 HB3 MET 103 2HB MET 103 1.982 10.151 7.857 773 HG2 MET 103 1HG MET 103 -0.111 10.815 8.678 774 HG3 MET 103 2HG MET 103 -0.351 10.702 6.942 775 HE1 MET 103 3HE MET 103 -3.738 9.214 7.262 776 HE2 MET 103 1HE MET 103 -2.996 10.777 7.687 777 HE3 MET 103 2HE MET 103 -2.528 9.942 6.183 778 H ASP 104 H ASP 104 3.695 9.590 6.372 779 HA ASP 104 HA ASP 104 3.547 11.873 4.772 780 HB2 ASP 104 1HB ASP 104 5.529 10.504 6.297 781 HB3 ASP 104 2HB ASP 104 6.216 10.633 4.707 782 H ALA 105 H ALA 105 4.036 8.528 3.842 783 HA ALA 105 HA ALA 105 5.000 8.996 1.142 784 HB1 ALA 105 1HB ALA 105 4.618 6.614 0.872 785 HB2 ALA 105 2HB ALA 105 5.395 6.895 2.448 786 HB3 ALA 105 3HB ALA 105 3.670 6.533 2.363 787 H ILE 106 H ILE 106 1.798 8.212 2.613 788 HA ILE 106 HA ILE 106 0.293 8.174 0.192 789 HB ILE 106 HB ILE 106 -0.496 8.878 3.034 790 HG12 ILE 106 1HG1 ILE 106 0.533 6.587 2.695 791 HG13 ILE 106 2HG1 ILE 106 -1.028 6.692 3.432 792 HG21 ILE 106 1HG2 ILE 106 -2.317 8.204 0.702 793 HG22 ILE 106 2HG2 ILE 106 -2.808 8.156 2.410 794 HG23 ILE 106 3HG2 ILE 106 -2.293 9.678 1.685 795 HD11 ILE 106 3HD1 ILE 106 -0.410 5.842 0.598 796 HD12 ILE 106 1HD1 ILE 106 -0.867 4.804 1.956 797 HD13 ILE 106 2HD1 ILE 106 -2.062 5.924 1.289 798 H ASP 107 H ASP 107 1.395 10.816 2.302 799 HA ASP 107 HA ASP 107 -0.131 12.907 1.052 800 HB2 ASP 107 1HB ASP 107 1.105 12.859 3.352 801 HB3 ASP 107 2HB ASP 107 2.483 13.418 2.417 802 H PHE 108 H PHE 108 3.231 11.817 0.724 803 HA PHE 108 HA PHE 108 4.111 13.522 -1.308 804 HB2 PHE 108 1HB PHE 108 5.572 12.044 0.016 805 HB3 PHE 108 2HB PHE 108 4.893 10.633 -0.750 806 HD1 PHE 108 1HD PHE 108 6.058 13.867 -2.371 807 HD2 PHE 108 2HD PHE 108 6.715 9.624 -1.837 808 HE1 PHE 108 1HE PHE 108 7.873 13.930 -4.032 809 HE2 PHE 108 2HE PHE 108 8.570 9.713 -3.476 810 HZ PHE 108 HZ PHE 108 9.152 11.876 -4.577 811 H LEU 109 H LEU 109 2.980 10.074 -1.887 812 HA LEU 109 HA LEU 109 2.914 10.181 -4.600 813 HB2 LEU 109 1HB LEU 109 1.281 8.661 -2.529 814 HB3 LEU 109 2HB LEU 109 1.051 8.454 -4.266 815 HG LEU 109 HG LEU 109 3.507 7.987 -4.479 816 HD11 LEU 109 1HD1 LEU 109 3.606 7.362 -1.563 817 HD12 LEU 109 2HD1 LEU 109 4.420 8.749 -2.366 818 HD13 LEU 109 3HD1 LEU 109 4.848 7.112 -2.815 819 HD21 LEU 109 3HD2 LEU 109 3.248 5.608 -3.797 820 HD22 LEU 109 1HD2 LEU 109 1.796 6.225 -4.583 821 HD23 LEU 109 2HD2 LEU 109 1.831 6.072 -2.807 822 H ASN 110 H ASN 110 0.310 11.406 -2.446 823 HA ASN 110 HA ASN 110 -1.429 11.998 -4.723 824 HB2 ASN 110 1HB ASN 110 -1.485 12.654 -1.756 825 HB3 ASN 110 2HB ASN 110 -2.499 13.573 -2.873 826 HD21 ASN 110 1HD2 ASN 110 -2.142 10.391 -1.336 827 HD22 ASN 110 2HD2 ASN 110 -3.728 9.866 -1.939 828 H ALA 111 H ALA 111 1.215 13.704 -3.138 829 HA ALA 111 HA ALA 111 0.482 16.332 -4.215 830 HB1 ALA 111 1HB ALA 111 3.063 15.336 -2.948 831 HB2 ALA 111 2HB ALA 111 2.621 17.016 -3.288 832 HB3 ALA 111 3HB ALA 111 1.725 16.112 -2.068 833 H LEU 112 H LEU 112 2.384 13.503 -5.172 834 HA LEU 112 HA LEU 112 4.019 14.783 -7.146 835 HB2 LEU 112 1HB LEU 112 3.060 11.910 -6.776 836 HB3 LEU 112 2HB LEU 112 4.051 12.385 -8.146 837 HG LEU 112 HG LEU 112 4.920 12.749 -5.257 838 HD11 LEU 112 1HD1 LEU 112 4.699 10.363 -5.811 839 HD12 LEU 112 2HD1 LEU 112 6.404 10.816 -5.685 840 HD13 LEU 112 3HD1 LEU 112 5.645 10.606 -7.283 841 HD21 LEU 112 3HD2 LEU 112 7.198 12.982 -6.371 842 HD22 LEU 112 1HD2 LEU 112 6.082 14.330 -6.645 843 HD23 LEU 112 2HD2 LEU 112 6.333 13.116 -7.914 844 H GLU 113 H GLU 113 0.963 12.954 -7.433 845 HA GLU 113 HA GLU 113 0.642 13.253 -10.198 846 HB2 GLU 113 1HB GLU 113 -0.926 12.297 -7.943 847 HB3 GLU 113 2HB GLU 113 -1.975 13.243 -8.984 848 HG2 GLU 113 1HG GLU 113 -0.188 11.017 -10.049 849 HG3 GLU 113 2HG GLU 113 -1.819 10.760 -9.427 850 H GLY 114 H GLY 114 -0.141 14.789 -11.545 851 HA2 GLY 114 1HA GLY 114 -2.148 16.433 -11.341 852 HA3 GLY 114 2HA GLY 114 -0.916 17.446 -10.535 Start of MODEL 20 1 H1 MET 1 H MET 1 -15.281 -3.803 11.175 2 HA MET 1 HA MET 1 -15.357 -1.410 11.623 3 HB2 MET 1 1HB MET 1 -13.871 -1.238 9.219 4 HB3 MET 1 2HB MET 1 -15.431 -0.487 8.883 5 HG2 MET 1 1HG MET 1 -14.942 0.519 11.386 6 HG3 MET 1 2HG MET 1 -13.291 0.288 10.817 7 HE1 MET 1 3HE MET 1 -16.719 1.433 9.083 8 HE2 MET 1 1HE MET 1 -16.592 2.185 10.691 9 HE3 MET 1 2HE MET 1 -16.515 3.186 9.231 10 H GLY 2 H GLY 2 -16.841 -3.499 9.075 11 HA2 GLY 2 1HA GLY 2 -19.398 -3.072 10.244 12 HA3 GLY 2 2HA GLY 2 -19.215 -2.226 8.688 13 H ALA 3 H ALA 3 -21.009 -3.924 8.257 14 HA ALA 3 HA ALA 3 -20.033 -6.589 7.481 15 HB1 ALA 3 1HB ALA 3 -22.321 -6.386 8.272 16 HB2 ALA 3 2HB ALA 3 -22.690 -5.188 7.001 17 HB3 ALA 3 3HB ALA 3 -22.307 -6.871 6.574 18 H GLY 4 H GLY 4 -18.244 -5.599 6.294 19 HA2 GLY 4 1HA GLY 4 -18.948 -4.929 3.476 20 HA3 GLY 4 2HA GLY 4 -17.747 -3.978 4.372 21 H GLN 5 H GLN 5 -16.364 -4.755 2.522 22 HA GLN 5 HA GLN 5 -15.154 -7.410 3.135 23 HB2 GLN 5 1HB GLN 5 -15.526 -6.280 0.368 24 HB3 GLN 5 2HB GLN 5 -14.674 -7.762 0.829 25 HG2 GLN 5 1HG GLN 5 -16.685 -8.897 1.431 26 HG3 GLN 5 2HG GLN 5 -17.618 -7.414 1.523 27 HE21 GLN 5 1HE2 GLN 5 -16.998 -6.173 -0.938 28 HE22 GLN 5 2HE2 GLN 5 -17.605 -7.144 -2.248 29 H THR 6 H THR 6 -13.742 -6.434 4.402 30 HA THR 6 HA THR 6 -11.957 -4.263 3.495 31 HB THR 6 HB THR 6 -11.270 -5.272 6.106 32 HG1 THR 6 1HG THR 6 -13.031 -5.877 6.933 33 HG21 THR 6 3HG2 THR 6 -11.108 -2.889 5.467 34 HG22 THR 6 1HG2 THR 6 -11.992 -3.133 6.972 35 HG23 THR 6 2HG2 THR 6 -12.887 -2.780 5.485 36 HA PRO 7 HA PRO 7 -8.891 -7.176 2.273 37 HB2 PRO 7 1HB PRO 7 -6.515 -5.840 2.668 38 HB3 PRO 7 2HB PRO 7 -7.638 -5.494 1.315 39 HG2 PRO 7 1HG PRO 7 -7.467 -4.093 3.993 40 HG3 PRO 7 2HG PRO 7 -7.506 -3.342 2.366 41 HD2 PRO 7 1HD PRO 7 -9.749 -3.525 3.827 42 HD3 PRO 7 2HD PRO 7 -9.790 -3.939 2.082 43 H HIS 8 H HIS 8 -7.957 -5.507 5.409 44 HA HIS 8 HA HIS 8 -7.898 -8.133 6.648 45 HB2 HIS 8 1HB HIS 8 -5.497 -7.362 5.831 46 HB3 HIS 8 2HB HIS 8 -5.581 -6.254 7.188 47 HD1 HIS 8 1HD HIS 8 -4.316 -7.354 9.215 48 HD2 HIS 8 2HD HIS 8 -6.148 -10.072 6.603 49 HE1 HIS 8 1HE HIS 8 -3.929 -9.680 10.193 50 HA PRO 9 HA PRO 9 -9.800 -5.288 9.568 51 HB2 PRO 9 1HB PRO 9 -9.841 -6.778 11.874 52 HB3 PRO 9 2HB PRO 9 -10.903 -7.107 10.468 53 HG2 PRO 9 1HG PRO 9 -8.298 -8.455 11.189 54 HG3 PRO 9 2HG PRO 9 -9.834 -9.213 10.667 55 HD2 PRO 9 1HD PRO 9 -7.784 -8.786 8.958 56 HD3 PRO 9 2HD PRO 9 -9.492 -8.665 8.439 57 H GLN 10 H GLN 10 -6.794 -6.951 10.474 58 HA GLN 10 HA GLN 10 -5.983 -5.041 12.478 59 HB2 GLN 10 1HB GLN 10 -5.022 -7.577 11.286 60 HB3 GLN 10 2HB GLN 10 -3.701 -6.480 11.672 61 HG2 GLN 10 1HG GLN 10 -4.295 -8.099 13.462 62 HG3 GLN 10 2HG GLN 10 -4.338 -6.411 13.958 63 HE21 GLN 10 1HE2 GLN 10 -6.136 -5.725 15.015 64 HE22 GLN 10 2HE2 GLN 10 -7.683 -6.552 15.045 65 H LEU 11 H LEU 11 -6.033 -4.705 9.139 66 HA LEU 11 HA LEU 11 -3.656 -3.153 8.666 67 HB2 LEU 11 1HB LEU 11 -5.077 -4.150 6.909 68 HB3 LEU 11 2HB LEU 11 -6.400 -3.066 7.334 69 HG LEU 11 HG LEU 11 -3.687 -2.214 6.218 70 HD11 LEU 11 1HD1 LEU 11 -6.383 -2.355 4.849 71 HD12 LEU 11 2HD1 LEU 11 -5.062 -3.548 4.644 72 HD13 LEU 11 3HD1 LEU 11 -4.841 -1.879 4.117 73 HD21 LEU 11 3HD2 LEU 11 -6.159 -0.676 7.032 74 HD22 LEU 11 1HD2 LEU 11 -5.243 -0.106 5.656 75 HD23 LEU 11 2HD2 LEU 11 -4.436 -0.249 7.215 76 H ILE 12 H ILE 12 -3.188 -1.490 10.034 77 HA ILE 12 HA ILE 12 -5.289 0.324 11.012 78 HB ILE 12 HB ILE 12 -2.268 0.500 11.265 79 HG12 ILE 12 1HG1 ILE 12 -2.858 -1.572 12.265 80 HG13 ILE 12 2HG1 ILE 12 -2.449 -0.412 13.501 81 HG21 ILE 12 1HG2 ILE 12 -2.800 1.935 13.229 82 HG22 ILE 12 2HG2 ILE 12 -3.408 2.622 11.732 83 HG23 ILE 12 3HG2 ILE 12 -4.532 1.813 12.845 84 HD11 ILE 12 3HD1 ILE 12 -5.262 -1.326 12.780 85 HD12 ILE 12 1HD1 ILE 12 -4.338 -1.709 14.247 86 HD13 ILE 12 2HD1 ILE 12 -4.885 -0.058 13.974 87 H TRP 13 H TRP 13 -6.120 1.385 9.150 88 HA TRP 13 HA TRP 13 -4.695 2.354 6.968 89 HB2 TRP 13 1HB TRP 13 -7.060 3.737 8.269 90 HB3 TRP 13 2HB TRP 13 -6.580 3.876 6.607 91 HD1 TRP 13 HD TRP 13 -8.338 1.459 8.982 92 HE1 TRP 13 1HE TRP 13 -9.621 -0.276 7.637 93 HE3 TRP 13 3HE TRP 13 -6.468 2.494 4.301 94 HZ2 TRP 13 2HZ TRP 13 -9.408 -1.460 5.005 95 HZ3 TRP 13 3HZ TRP 13 -6.951 0.960 2.427 96 HH2 TRP 13 HH TRP 13 -8.378 -1.041 2.763 97 HA PRO 14 HA PRO 14 -4.843 4.362 5.534 98 HB2 PRO 14 1HB PRO 14 -2.623 5.391 4.354 99 HB3 PRO 14 2HB PRO 14 -4.005 6.375 4.854 100 HG2 PRO 14 1HG PRO 14 -1.384 6.055 6.247 101 HG3 PRO 14 2HG PRO 14 -2.411 7.512 6.114 102 HD2 PRO 14 1HD PRO 14 -2.311 5.879 8.312 103 HD3 PRO 14 2HD PRO 14 -3.787 6.793 7.867 104 H ALA 15 H ALA 15 -3.695 3.340 3.568 105 HA ALA 15 HA ALA 15 -1.529 1.513 4.329 106 HB1 ALA 15 1HB ALA 15 -3.353 0.076 4.707 107 HB2 ALA 15 2HB ALA 15 -4.226 0.618 3.238 108 HB3 ALA 15 3HB ALA 15 -2.758 -0.377 3.122 109 H LEU 16 H LEU 16 -0.767 0.346 2.382 110 HA LEU 16 HA LEU 16 -1.016 1.781 -0.187 111 HB2 LEU 16 1HB LEU 16 1.442 1.422 1.526 112 HB3 LEU 16 2HB LEU 16 1.622 1.304 -0.221 113 HG LEU 16 HG LEU 16 0.043 3.645 0.870 114 HD11 LEU 16 1HD1 LEU 16 2.133 5.000 0.907 115 HD12 LEU 16 2HD1 LEU 16 3.063 3.480 0.930 116 HD13 LEU 16 3HD1 LEU 16 1.921 3.878 2.255 117 HD21 LEU 16 3HD2 LEU 16 0.793 4.716 -1.109 118 HD22 LEU 16 1HD2 LEU 16 0.359 3.073 -1.616 119 HD23 LEU 16 2HD2 LEU 16 2.063 3.531 -1.368 120 H LEU 17 H LEU 17 -1.872 0.228 -1.390 121 HA LEU 17 HA LEU 17 -1.075 -2.625 -1.245 122 HB2 LEU 17 1HB LEU 17 -3.385 -1.839 -2.018 123 HB3 LEU 17 2HB LEU 17 -2.572 -1.025 -3.334 124 HG LEU 17 HG LEU 17 -1.692 -3.398 -4.021 125 HD11 LEU 17 1HD1 LEU 17 -3.383 -5.181 -3.460 126 HD12 LEU 17 2HD1 LEU 17 -4.101 -4.089 -2.269 127 HD13 LEU 17 3HD1 LEU 17 -2.438 -4.664 -2.064 128 HD21 LEU 17 3HD2 LEU 17 -4.614 -2.605 -4.311 129 HD22 LEU 17 1HD2 LEU 17 -3.764 -3.767 -5.333 130 HD23 LEU 17 2HD2 LEU 17 -3.282 -2.059 -5.344 131 H LYS 18 H LYS 18 0.540 -3.453 -2.798 132 HA LYS 18 HA LYS 18 1.598 -1.477 -4.732 133 HB2 LYS 18 1HB LYS 18 2.947 -1.351 -2.541 134 HB3 LYS 18 2HB LYS 18 3.599 -2.931 -2.946 135 HG2 LYS 18 1HG LYS 18 3.648 -0.454 -4.733 136 HG3 LYS 18 2HG LYS 18 4.971 -0.931 -3.698 137 HD2 LYS 18 1HD LYS 18 3.979 -2.501 -6.117 138 HD3 LYS 18 2HD LYS 18 5.465 -1.596 -5.936 139 HE2 LYS 18 1HE LYS 18 6.600 -3.167 -4.999 140 HE3 LYS 18 2HE LYS 18 5.321 -3.585 -3.839 141 HZ1 LYS 18 3HZ LYS 18 6.138 -4.908 -6.172 142 HZ2 LYS 18 1HZ LYS 18 4.478 -4.623 -6.227 143 HZ3 LYS 18 2HZ LYS 18 5.151 -5.423 -4.975 144 H GLN 19 H GLN 19 0.820 -2.684 -6.492 145 HA GLN 19 HA GLN 19 0.230 -5.388 -6.004 146 HB2 GLN 19 1HB GLN 19 0.071 -3.678 -8.514 147 HB3 GLN 19 2HB GLN 19 -0.402 -5.353 -8.461 148 HG2 GLN 19 1HG GLN 19 -1.942 -4.784 -6.510 149 HG3 GLN 19 2HG GLN 19 -1.613 -3.082 -6.876 150 HE21 GLN 19 1HE2 GLN 19 -3.376 -5.989 -7.881 151 HE22 GLN 19 2HE2 GLN 19 -4.143 -5.220 -9.292 152 H GLN 20 H GLN 20 0.725 -7.186 -7.424 153 HA GLN 20 HA GLN 20 3.590 -7.559 -7.492 154 HB2 GLN 20 1HB GLN 20 1.429 -9.160 -6.816 155 HB3 GLN 20 2HB GLN 20 1.683 -9.672 -8.466 156 HG2 GLN 20 1HG GLN 20 4.135 -9.454 -6.715 157 HG3 GLN 20 2HG GLN 20 2.945 -10.703 -6.284 158 HE21 GLN 20 1HE2 GLN 20 3.025 -12.636 -7.377 159 HE22 GLN 20 2HE2 GLN 20 4.023 -12.899 -8.787 160 H GLY 21 H GLY 21 4.739 -7.692 -9.300 161 HA2 GLY 21 1HA GLY 21 5.259 -7.627 -11.500 162 HA3 GLY 21 2HA GLY 21 3.575 -7.416 -11.978 163 H CYS 22 H CYS 22 2.738 -5.203 -10.595 164 HA CYS 22 HA CYS 22 3.813 -3.397 -12.540 165 HB2 CYS 22 1HB CYS 22 1.422 -3.563 -10.773 166 HB3 CYS 22 2HB CYS 22 1.942 -1.917 -11.095 167 HG CYS 22 HG CYS 22 1.568 -1.749 -13.463 168 H ASN 23 H ASN 23 4.714 -3.580 -9.219 169 HA ASN 23 HA ASN 23 6.314 -2.403 -8.044 170 HB2 ASN 23 1HB ASN 23 6.953 -0.645 -10.437 171 HB3 ASN 23 2HB ASN 23 7.969 -1.098 -9.162 172 HD21 ASN 23 1HD2 ASN 23 6.757 -2.010 -12.306 173 HD22 ASN 23 2HD2 ASN 23 7.572 -3.526 -12.429 174 H GLU 24 H GLU 24 3.911 -0.555 -9.758 175 HA GLU 24 HA GLU 24 4.225 1.967 -8.499 176 HB2 GLU 24 1HB GLU 24 3.130 1.293 -10.682 177 HB3 GLU 24 2HB GLU 24 1.796 0.594 -9.760 178 HG2 GLU 24 1HG GLU 24 1.123 2.786 -8.977 179 HG3 GLU 24 2HG GLU 24 2.626 3.515 -9.611 180 H LEU 25 H LEU 25 2.681 2.919 -6.953 181 HA LEU 25 HA LEU 25 1.926 1.044 -4.790 182 HB2 LEU 25 1HB LEU 25 2.774 3.943 -4.905 183 HB3 LEU 25 2HB LEU 25 2.038 3.233 -3.485 184 HG LEU 25 HG LEU 25 4.385 1.776 -4.699 185 HD11 LEU 25 1HD1 LEU 25 4.987 4.177 -4.646 186 HD12 LEU 25 2HD1 LEU 25 5.990 3.114 -3.645 187 HD13 LEU 25 3HD1 LEU 25 4.749 4.167 -2.893 188 HD21 LEU 25 3HD2 LEU 25 3.087 0.931 -2.651 189 HD22 LEU 25 1HD2 LEU 25 3.802 2.280 -1.755 190 HD23 LEU 25 2HD2 LEU 25 4.854 1.066 -2.479 191 H LEU 26 H LEU 26 -0.039 1.393 -3.810 192 HA LEU 26 HA LEU 26 -1.996 3.206 -5.157 193 HB2 LEU 26 1HB LEU 26 -2.121 0.414 -5.083 194 HB3 LEU 26 2HB LEU 26 -3.248 0.941 -3.837 195 HG LEU 26 HG LEU 26 -4.407 0.595 -5.869 196 HD11 LEU 26 1HD1 LEU 26 -5.167 2.431 -4.379 197 HD12 LEU 26 2HD1 LEU 26 -5.603 2.676 -6.070 198 HD13 LEU 26 3HD1 LEU 26 -4.258 3.598 -5.372 199 HD21 LEU 26 3HD2 LEU 26 -2.565 0.968 -7.470 200 HD22 LEU 26 1HD2 LEU 26 -2.669 2.718 -7.202 201 HD23 LEU 26 2HD2 LEU 26 -4.034 1.832 -7.920 202 HA PRO 27 HA PRO 27 -1.530 4.599 -0.788 203 HB2 PRO 27 1HB PRO 27 -2.017 7.272 -1.235 204 HB3 PRO 27 2HB PRO 27 -0.436 6.515 -1.537 205 HG2 PRO 27 1HG PRO 27 -2.633 7.090 -3.538 206 HG3 PRO 27 2HG PRO 27 -0.879 7.422 -3.686 207 HD2 PRO 27 1HD PRO 27 -2.081 5.228 -4.780 208 HD3 PRO 27 2HD PRO 27 -0.417 5.149 -4.128 209 H LEU 28 H LEU 28 -3.225 4.026 0.456 210 HA LEU 28 HA LEU 28 -5.982 4.796 -0.367 211 HB2 LEU 28 1HB LEU 28 -4.947 2.400 1.180 212 HB3 LEU 28 2HB LEU 28 -6.636 2.747 0.914 213 HG LEU 28 HG LEU 28 -4.911 2.636 -1.562 214 HD11 LEU 28 1HD1 LEU 28 -5.708 0.134 -0.051 215 HD12 LEU 28 2HD1 LEU 28 -4.047 0.783 -0.183 216 HD13 LEU 28 3HD1 LEU 28 -4.891 0.239 -1.629 217 HD21 LEU 28 3HD2 LEU 28 -7.670 1.551 -0.894 218 HD22 LEU 28 1HD2 LEU 28 -6.886 1.525 -2.489 219 HD23 LEU 28 2HD2 LEU 28 -7.314 3.073 -1.753 220 H ARG 29 H ARG 29 -6.518 6.562 0.839 221 HA ARG 29 HA ARG 29 -5.300 7.313 3.298 222 HB2 ARG 29 1HB ARG 29 -8.105 7.992 2.268 223 HB3 ARG 29 2HB ARG 29 -7.305 8.761 3.612 224 HG2 ARG 29 1HG ARG 29 -6.630 10.318 2.263 225 HG3 ARG 29 2HG ARG 29 -5.448 9.187 1.606 226 HD2 ARG 29 1HD ARG 29 -6.700 8.797 -0.323 227 HD3 ARG 29 2HD ARG 29 -8.245 9.163 0.464 228 HE ARG 29 HE ARG 29 -6.763 11.538 0.489 229 HH11 ARG 29 1HH1 ARG 29 -8.115 9.428 -2.061 230 HH12 ARG 29 2HH1 ARG 29 -8.619 10.784 -3.018 231 HH21 ARG 29 1HH2 ARG 29 -7.041 13.165 -0.946 232 HH22 ARG 29 2HH2 ARG 29 -7.803 12.944 -2.476 233 H THR 30 H THR 30 -8.313 5.513 2.662 234 HA THR 30 HA THR 30 -8.684 4.810 5.504 235 HB THR 30 HB THR 30 -11.078 5.694 5.141 236 HG1 THR 30 1HG THR 30 -11.258 7.380 3.691 237 HG21 THR 30 3HG2 THR 30 -8.938 7.807 5.272 238 HG22 THR 30 1HG2 THR 30 -9.456 6.772 6.629 239 HG23 THR 30 2HG2 THR 30 -10.595 7.907 5.895 240 H ASN 31 H ASN 31 -10.925 3.529 5.563 241 HA ASN 31 HA ASN 31 -10.581 1.396 3.623 242 HB2 ASN 31 1HB ASN 31 -11.217 0.797 5.882 243 HB3 ASN 31 2HB ASN 31 -12.639 1.809 5.824 244 HD21 ASN 31 1HD2 ASN 31 -11.028 -0.675 3.700 245 HD22 ASN 31 2HD2 ASN 31 -12.525 -1.532 3.336 246 H ASP 32 H ASP 32 -12.756 4.210 3.941 247 HA ASP 32 HA ASP 32 -14.541 3.714 1.807 248 HB2 ASP 32 1HB ASP 32 -13.104 6.319 2.447 249 HB3 ASP 32 2HB ASP 32 -14.418 6.171 1.301 250 H ASP 33 H ASP 33 -11.054 4.454 1.731 251 HA ASP 33 HA ASP 33 -10.974 5.186 -1.080 252 HB2 ASP 33 1HB ASP 33 -9.307 5.656 0.936 253 HB3 ASP 33 2HB ASP 33 -8.576 4.139 0.404 254 H TRP 34 H TRP 34 -10.373 2.192 0.805 255 HA TRP 34 HA TRP 34 -9.655 0.532 -1.396 256 HB2 TRP 34 1HB TRP 34 -9.344 -0.059 0.953 257 HB3 TRP 34 2HB TRP 34 -11.092 -0.234 1.172 258 HD1 TRP 34 HD TRP 34 -12.295 -2.258 -0.154 259 HE1 TRP 34 1HE TRP 34 -11.414 -4.332 -1.427 260 HE3 TRP 34 3HE TRP 34 -7.276 -1.381 0.149 261 HZ2 TRP 34 2HZ TRP 34 -8.900 -5.407 -2.267 262 HZ3 TRP 34 3HZ TRP 34 -5.654 -2.968 -0.840 263 HH2 TRP 34 HH TRP 34 -6.452 -4.981 -2.073 264 H GLN 35 H GLN 35 -12.815 1.639 -0.248 265 HA GLN 35 HA GLN 35 -14.449 -0.145 -1.887 266 HB2 GLN 35 1HB GLN 35 -15.129 2.631 -0.809 267 HB3 GLN 35 2HB GLN 35 -16.268 1.443 -1.394 268 HG2 GLN 35 1HG GLN 35 -14.454 0.769 0.955 269 HG3 GLN 35 2HG GLN 35 -15.872 1.729 1.189 270 HE21 GLN 35 1HE2 GLN 35 -17.677 0.575 1.756 271 HE22 GLN 35 2HE2 GLN 35 -17.855 -1.147 1.494 272 H ARG 36 H ARG 36 -13.434 3.234 -2.257 273 HA ARG 36 HA ARG 36 -14.479 3.598 -4.876 274 HB2 ARG 36 1HB ARG 36 -12.211 4.951 -3.349 275 HB3 ARG 36 2HB ARG 36 -12.815 5.516 -4.917 276 HG2 ARG 36 1HG ARG 36 -15.018 5.886 -4.077 277 HG3 ARG 36 2HG ARG 36 -14.690 5.097 -2.538 278 HD2 ARG 36 1HD ARG 36 -13.364 7.663 -3.457 279 HD3 ARG 36 2HD ARG 36 -14.778 7.528 -2.375 280 HE ARG 36 HE ARG 36 -12.985 5.978 -1.115 281 HH11 ARG 36 1HH1 ARG 36 -12.848 9.375 -2.271 282 HH12 ARG 36 2HH1 ARG 36 -11.831 9.886 -0.954 283 HH21 ARG 36 1HH2 ARG 36 -11.493 6.785 0.597 284 HH22 ARG 36 2HH2 ARG 36 -11.093 8.480 0.574 285 H PHE 37 H PHE 37 -11.204 2.524 -3.838 286 HA PHE 37 HA PHE 37 -10.009 2.191 -6.288 287 HB2 PHE 37 1HB PHE 37 -8.700 1.804 -4.364 288 HB3 PHE 37 2HB PHE 37 -9.916 0.798 -3.612 289 HD1 PHE 37 2HD PHE 37 -7.217 0.818 -6.137 290 HD2 PHE 37 1HD PHE 37 -9.996 -1.596 -3.875 291 HE1 PHE 37 2HE PHE 37 -6.001 -1.234 -6.803 292 HE2 PHE 37 1HE PHE 37 -8.795 -3.652 -4.592 293 HZ PHE 37 HZ PHE 37 -6.784 -3.463 -6.039 294 H CYS 38 H CYS 38 -12.227 -0.231 -4.732 295 HA CYS 38 HA CYS 38 -11.846 -2.011 -7.001 296 HB2 CYS 38 1HB CYS 38 -12.435 -2.743 -4.636 297 HB3 CYS 38 2HB CYS 38 -14.100 -2.193 -4.996 298 HG CYS 38 HG CYS 38 -14.491 -3.691 -7.052 299 H ALA 39 H ALA 39 -14.146 0.583 -6.221 300 HA ALA 39 HA ALA 39 -16.002 -0.111 -8.341 301 HB1 ALA 39 1HB ALA 39 -16.633 1.339 -6.450 302 HB2 ALA 39 2HB ALA 39 -15.469 2.580 -6.993 303 HB3 ALA 39 3HB ALA 39 -16.856 2.161 -8.018 304 H ASP 40 H ASP 40 -13.154 1.998 -8.128 305 HA ASP 40 HA ASP 40 -13.637 2.918 -10.882 306 HB2 ASP 40 1HB ASP 40 -13.233 4.274 -8.305 307 HB3 ASP 40 2HB ASP 40 -12.185 4.908 -9.532 308 H SER 41 H SER 41 -11.464 0.998 -9.448 309 HA SER 41 HA SER 41 -9.447 1.635 -11.551 310 HB2 SER 41 1HB SER 41 -8.523 2.566 -9.502 311 HB3 SER 41 2HB SER 41 -8.774 1.033 -8.642 312 HG SER 41 HG SER 41 -6.664 1.133 -9.373 313 H LYS 42 H LYS 42 -9.857 -0.801 -8.974 314 HA LYS 42 HA LYS 42 -9.587 -3.063 -9.049 315 HB2 LYS 42 1HB LYS 42 -11.500 -4.160 -10.176 316 HB3 LYS 42 2HB LYS 42 -11.903 -2.859 -9.103 317 HG2 LYS 42 1HG LYS 42 -12.533 -1.392 -10.849 318 HG3 LYS 42 2HG LYS 42 -11.712 -2.349 -12.092 319 HD2 LYS 42 1HD LYS 42 -13.951 -3.606 -10.505 320 HD3 LYS 42 2HD LYS 42 -14.329 -2.495 -11.832 321 HE2 LYS 42 1HE LYS 42 -13.262 -3.814 -13.468 322 HE3 LYS 42 2HE LYS 42 -12.350 -4.742 -12.273 323 HZ1 LYS 42 3HZ LYS 42 -14.267 -5.857 -11.612 324 HZ2 LYS 42 1HZ LYS 42 -14.221 -5.969 -13.236 325 HZ3 LYS 42 2HZ LYS 42 -15.286 -4.922 -12.482 326 H HIS 43 H HIS 43 -7.498 -2.275 -10.356 327 HA HIS 43 HA HIS 43 -7.048 -3.630 -12.894 328 HB2 HIS 43 1HB HIS 43 -5.897 -1.523 -12.098 329 HB3 HIS 43 2HB HIS 43 -5.116 -2.465 -10.843 330 HD1 HIS 43 1HD HIS 43 -3.665 -0.812 -13.261 331 HD2 HIS 43 2HD HIS 43 -4.277 -4.983 -12.986 332 HE1 HIS 43 1HE HIS 43 -1.856 -1.913 -14.662 333 H LEU 44 H LEU 44 -8.157 -5.562 -11.848 334 HA LEU 44 HA LEU 44 -8.240 -7.611 -10.871 335 HB2 LEU 44 1HB LEU 44 -5.370 -7.680 -11.727 336 HB3 LEU 44 2HB LEU 44 -6.349 -9.074 -11.306 337 HG LEU 44 HG LEU 44 -7.962 -7.838 -13.207 338 HD11 LEU 44 1HD1 LEU 44 -6.270 -6.211 -13.904 339 HD12 LEU 44 2HD1 LEU 44 -6.464 -7.422 -15.171 340 HD13 LEU 44 3HD1 LEU 44 -5.060 -7.494 -14.085 341 HD21 LEU 44 3HD2 LEU 44 -7.270 -9.671 -14.677 342 HD22 LEU 44 1HD2 LEU 44 -7.487 -10.201 -12.991 343 HD23 LEU 44 2HD2 LEU 44 -5.857 -9.974 -13.634 344 H LEU 45 H LEU 45 -6.925 -9.248 -9.315 345 HA LEU 45 HA LEU 45 -5.227 -7.915 -7.397 346 HB2 LEU 45 1HB LEU 45 -7.731 -9.440 -6.584 347 HB3 LEU 45 2HB LEU 45 -6.353 -9.243 -5.512 348 HG LEU 45 HG LEU 45 -7.964 -6.957 -6.694 349 HD11 LEU 45 1HD1 LEU 45 -8.921 -6.714 -4.435 350 HD12 LEU 45 2HD1 LEU 45 -8.006 -8.130 -3.875 351 HD13 LEU 45 3HD1 LEU 45 -9.285 -8.310 -5.102 352 HD21 LEU 45 3HD2 LEU 45 -5.780 -7.037 -4.536 353 HD22 LEU 45 1HD2 LEU 45 -6.798 -5.617 -4.872 354 HD23 LEU 45 2HD2 LEU 45 -5.684 -6.214 -6.107 355 H GLN 46 H GLN 46 -3.439 -9.233 -7.338 356 HA GLN 46 HA GLN 46 -3.831 -12.160 -7.894 357 HB2 GLN 46 1HB GLN 46 -1.435 -10.294 -8.163 358 HB3 GLN 46 2HB GLN 46 -1.383 -12.051 -8.368 359 HG2 GLN 46 1HG GLN 46 -2.787 -11.992 -10.288 360 HG3 GLN 46 2HG GLN 46 -3.336 -10.355 -9.983 361 HE21 GLN 46 1HE2 GLN 46 -2.460 -8.845 -11.108 362 HE22 GLN 46 2HE2 GLN 46 -0.825 -8.766 -11.551 363 H TYR 47 H TYR 47 -2.900 -13.642 -6.558 364 HA TYR 47 HA TYR 47 -2.970 -13.130 -3.730 365 HB2 TYR 47 1HB TYR 47 -1.987 -15.503 -5.374 366 HB3 TYR 47 2HB TYR 47 -2.274 -15.527 -3.633 367 HD1 TYR 47 1HD TYR 47 -4.890 -14.099 -3.470 368 HD2 TYR 47 2HD TYR 47 -3.512 -17.194 -6.129 369 HE1 TYR 47 1HE TYR 47 -7.207 -14.832 -3.814 370 HE2 TYR 47 2HE TYR 47 -5.809 -17.973 -6.416 371 HH TYR 47 HH TYR 47 -8.145 -17.634 -5.809 372 H GLY 48 H GLY 48 -1.310 -11.409 -3.970 373 HA2 GLY 48 1HA GLY 48 1.147 -11.918 -2.768 374 HA3 GLY 48 2HA GLY 48 1.428 -12.092 -4.498 375 H ASP 49 H ASP 49 -1.071 -9.881 -4.217 376 HA ASP 49 HA ASP 49 0.426 -7.806 -5.230 377 HB2 ASP 49 1HB ASP 49 -2.392 -8.244 -4.296 378 HB3 ASP 49 2HB ASP 49 -1.885 -6.583 -4.402 379 H LYS 50 H LYS 50 0.210 -8.568 -2.002 380 HA LYS 50 HA LYS 50 1.123 -7.783 -0.096 381 HB2 LYS 50 1HB LYS 50 3.108 -7.384 -1.607 382 HB3 LYS 50 2HB LYS 50 2.537 -5.694 -1.815 383 HG2 LYS 50 1HG LYS 50 2.839 -5.245 0.539 384 HG3 LYS 50 2HG LYS 50 3.241 -6.913 0.883 385 HD2 LYS 50 1HD LYS 50 4.899 -5.149 -0.976 386 HD3 LYS 50 2HD LYS 50 5.150 -5.241 0.778 387 HE2 LYS 50 1HE LYS 50 5.412 -7.747 0.530 388 HE3 LYS 50 2HE LYS 50 5.452 -7.515 -1.220 389 HZ1 LYS 50 3HZ LYS 50 7.477 -6.299 -0.995 390 HZ2 LYS 50 1HZ LYS 50 7.648 -7.603 -0.015 391 HZ3 LYS 50 2HZ LYS 50 7.311 -6.149 0.633 392 H LEU 51 H LEU 51 0.686 -6.312 1.559 393 HA LEU 51 HA LEU 51 -0.339 -3.680 0.853 394 HB2 LEU 51 1HB LEU 51 -1.898 -5.772 2.363 395 HB3 LEU 51 2HB LEU 51 -1.895 -4.162 3.065 396 HG LEU 51 HG LEU 51 -2.614 -4.606 0.157 397 HD11 LEU 51 1HD1 LEU 51 -4.090 -6.038 1.502 398 HD12 LEU 51 2HD1 LEU 51 -4.979 -4.671 0.826 399 HD13 LEU 51 3HD1 LEU 51 -4.491 -4.660 2.540 400 HD21 LEU 51 3HD2 LEU 51 -3.822 -2.494 0.422 401 HD22 LEU 51 1HD2 LEU 51 -2.160 -2.264 0.972 402 HD23 LEU 51 2HD2 LEU 51 -3.474 -2.466 2.156 403 H VAL 52 H VAL 52 0.131 -2.186 2.470 404 HA VAL 52 HA VAL 52 1.662 -3.015 4.849 405 HB VAL 52 HB VAL 52 2.428 -0.983 2.710 406 HG11 VAL 52 1HG1 VAL 52 3.926 -1.337 5.343 407 HG12 VAL 52 2HG1 VAL 52 4.270 -0.204 4.041 408 HG13 VAL 52 3HG1 VAL 52 2.834 -0.000 5.026 409 HG21 VAL 52 3HG2 VAL 52 4.589 -2.218 2.694 410 HG22 VAL 52 1HG2 VAL 52 3.957 -3.336 3.912 411 HG23 VAL 52 2HG2 VAL 52 3.252 -3.288 2.286 412 H ASP 53 H ASP 53 0.609 -2.119 6.494 413 HA ASP 53 HA ASP 53 -1.462 -0.010 6.249 414 HB2 ASP 53 1HB ASP 53 -2.166 -0.625 8.344 415 HB3 ASP 53 2HB ASP 53 -1.888 -2.148 7.526 416 H SER 54 H SER 54 -1.183 1.313 8.760 417 HA SER 54 HA SER 54 1.038 3.074 8.347 418 HB2 SER 54 1HB SER 54 0.234 4.139 10.336 419 HB3 SER 54 2HB SER 54 -1.182 3.665 9.357 420 HG SER 54 HG SER 54 -1.021 3.233 11.792 421 H ASN 55 H ASN 55 0.612 0.228 10.252 422 HA ASN 55 HA ASN 55 2.584 0.857 12.321 423 HB2 ASN 55 1HB ASN 55 0.645 -1.394 11.778 424 HB3 ASN 55 2HB ASN 55 1.948 -1.634 12.920 425 HD21 ASN 55 1HD2 ASN 55 -0.154 1.343 12.419 426 HD22 ASN 55 2HD2 ASN 55 -0.509 1.426 14.114 427 H PHE 56 H PHE 56 2.919 -0.217 9.205 428 HA PHE 56 HA PHE 56 4.614 -1.093 7.988 429 HB2 PHE 56 1HB PHE 56 6.275 -1.001 10.450 430 HB3 PHE 56 2HB PHE 56 6.814 -1.660 8.950 431 HD1 PHE 56 1HD PHE 56 5.232 1.510 10.260 432 HD2 PHE 56 2HD PHE 56 8.047 -0.322 7.540 433 HE1 PHE 56 1HE PHE 56 5.958 3.741 9.505 434 HE2 PHE 56 2HE PHE 56 8.779 1.920 6.815 435 HZ PHE 56 HZ PHE 56 7.730 3.966 7.770 436 H HIS 57 H HIS 57 2.445 -2.687 9.448 437 HA HIS 57 HA HIS 57 3.472 -5.432 9.509 438 HB2 HIS 57 1HB HIS 57 0.692 -4.339 9.108 439 HB3 HIS 57 2HB HIS 57 1.141 -6.028 9.385 440 HD1 HIS 57 1HD HIS 57 -0.375 -3.427 11.188 441 HD2 HIS 57 2HD HIS 57 2.997 -5.872 11.900 442 HE1 HIS 57 1HE HIS 57 -0.077 -3.577 13.746 443 H CYS 58 H CYS 58 4.313 -6.277 7.615 444 HA CYS 58 HA CYS 58 3.235 -5.495 4.978 445 HB2 CYS 58 1HB CYS 58 5.194 -7.579 6.013 446 HB3 CYS 58 2HB CYS 58 4.481 -7.714 4.401 447 HG CYS 58 HG CYS 58 6.789 -6.791 4.123 448 H PHE 59 H PHE 59 1.968 -6.962 3.727 449 HA PHE 59 HA PHE 59 0.758 -9.304 5.049 450 HB2 PHE 59 1HB PHE 59 -0.784 -7.139 3.578 451 HB3 PHE 59 2HB PHE 59 -1.478 -8.651 4.137 452 HD1 PHE 59 2HD PHE 59 -1.721 -9.082 6.616 453 HD2 PHE 59 1HD PHE 59 -0.475 -5.245 5.079 454 HE1 PHE 59 2HE PHE 59 -1.934 -8.088 8.879 455 HE2 PHE 59 1HE PHE 59 -0.786 -4.248 7.300 456 HZ PHE 59 HZ PHE 59 -1.414 -5.663 9.232 457 H VAL 60 H VAL 60 -0.336 -10.701 3.383 458 HA VAL 60 HA VAL 60 0.459 -10.372 0.563 459 HB VAL 60 HB VAL 60 1.184 -12.653 2.429 460 HG11 VAL 60 1HG1 VAL 60 0.206 -13.796 0.538 461 HG12 VAL 60 2HG1 VAL 60 1.042 -12.736 -0.618 462 HG13 VAL 60 3HG1 VAL 60 1.936 -13.912 0.357 463 HG21 VAL 60 3HG2 VAL 60 2.903 -10.986 2.249 464 HG22 VAL 60 1HG2 VAL 60 3.405 -12.380 1.348 465 HG23 VAL 60 2HG2 VAL 60 2.766 -11.013 0.433 466 H LEU 61 H LEU 61 -1.187 -11.129 -0.752 467 HA LEU 61 HA LEU 61 -3.654 -12.236 0.419 468 HB2 LEU 61 1HB LEU 61 -3.524 -10.433 -1.404 469 HB3 LEU 61 2HB LEU 61 -2.841 -11.600 -2.450 470 HG LEU 61 HG LEU 61 -5.547 -11.121 -1.617 471 HD11 LEU 61 1HD1 LEU 61 -4.946 -10.473 -3.733 472 HD12 LEU 61 2HD1 LEU 61 -6.351 -11.548 -3.724 473 HD13 LEU 61 3HD1 LEU 61 -4.778 -12.132 -4.248 474 HD21 LEU 61 3HD2 LEU 61 -5.238 -13.890 -1.480 475 HD22 LEU 61 1HD2 LEU 61 -6.734 -13.069 -1.929 476 HD23 LEU 61 2HD2 LEU 61 -5.951 -12.744 -0.379 477 H GLU 62 H GLU 62 -4.034 -14.514 0.234 478 HA GLU 62 HA GLU 62 -2.095 -16.099 -1.413 479 HB2 GLU 62 1HB GLU 62 -3.359 -16.750 1.280 480 HB3 GLU 62 2HB GLU 62 -2.597 -17.932 0.234 481 HG2 GLU 62 1HG GLU 62 -0.582 -16.074 0.323 482 HG3 GLU 62 2HG GLU 62 -1.361 -15.770 1.895 483 H GLU 63 H GLU 63 -3.044 -18.308 -2.060 484 HA GLU 63 HA GLU 63 -5.432 -18.084 -3.481 485 HB2 GLU 63 1HB GLU 63 -4.320 -20.681 -2.328 486 HB3 GLU 63 2HB GLU 63 -5.409 -20.489 -3.711 487 HG2 GLU 63 1HG GLU 63 -3.441 -19.015 -4.680 488 HG3 GLU 63 2HG GLU 63 -2.464 -19.904 -3.505 489 H ASP 64 H ASP 64 -5.102 -18.513 -0.097 490 HA ASP 64 HA ASP 64 -7.681 -19.691 0.400 491 HB2 ASP 64 1HB ASP 64 -5.481 -19.503 1.867 492 HB3 ASP 64 2HB ASP 64 -6.212 -17.988 2.410 493 H ALA 65 H ALA 65 -6.848 -16.491 -0.715 494 HA ALA 65 HA ALA 65 -8.001 -14.763 -1.119 495 HB1 ALA 65 1HB ALA 65 -9.977 -15.907 -1.744 496 HB2 ALA 65 2HB ALA 65 -10.434 -16.256 -0.077 497 HB3 ALA 65 3HB ALA 65 -10.504 -14.608 -0.678 498 H HIS 66 H HIS 66 -6.911 -15.657 1.757 499 HA HIS 66 HA HIS 66 -7.873 -13.215 3.116 500 HB2 HIS 66 1HB HIS 66 -7.015 -14.055 5.146 501 HB3 HIS 66 2HB HIS 66 -8.059 -15.245 4.426 502 HD1 HIS 66 1HD HIS 66 -7.060 -17.392 5.521 503 HD2 HIS 66 2HD HIS 66 -4.212 -14.912 3.668 504 HE1 HIS 66 1HE HIS 66 -4.791 -18.425 5.997 505 H TRP 67 H TRP 67 -6.339 -11.943 4.260 506 HA TRP 67 HA TRP 67 -3.925 -11.435 2.588 507 HB2 TRP 67 1HB TRP 67 -5.789 -9.624 4.100 508 HB3 TRP 67 2HB TRP 67 -4.138 -9.137 3.771 509 HD1 TRP 67 HD TRP 67 -7.420 -9.676 1.887 510 HE1 TRP 67 1HE TRP 67 -7.155 -8.787 -0.495 511 HE3 TRP 67 3HE TRP 67 -2.409 -8.850 1.952 512 HZ2 TRP 67 2HZ TRP 67 -5.003 -7.681 -2.134 513 HZ3 TRP 67 3HZ TRP 67 -1.265 -7.898 0.025 514 HH2 TRP 67 HH TRP 67 -2.537 -7.238 -2.039 515 H HIS 68 H HIS 68 -2.669 -12.992 3.738 516 HA HIS 68 HA HIS 68 -2.797 -13.274 6.569 517 HB2 HIS 68 1HB HIS 68 -2.032 -14.994 4.857 518 HB3 HIS 68 2HB HIS 68 -0.551 -14.067 4.652 519 HD1 HIS 68 1HD HIS 68 1.149 -14.096 6.827 520 HD2 HIS 68 2HD HIS 68 -2.296 -16.535 7.003 521 HE1 HIS 68 1HE HIS 68 1.443 -15.616 8.859 522 HA PRO 69 HA PRO 69 0.070 -9.927 7.697 523 HB2 PRO 69 1HB PRO 69 0.792 -10.730 10.225 524 HB3 PRO 69 2HB PRO 69 -0.791 -10.003 9.826 525 HG2 PRO 69 1HG PRO 69 -0.097 -12.940 10.103 526 HG3 PRO 69 2HG PRO 69 -1.500 -12.062 10.793 527 HD2 PRO 69 1HD PRO 69 -1.700 -13.513 8.516 528 HD3 PRO 69 2HD PRO 69 -2.583 -11.969 8.696 529 H ALA 70 H ALA 70 1.957 -9.812 6.693 530 HA ALA 70 HA ALA 70 3.856 -12.081 6.673 531 HB1 ALA 70 1HB ALA 70 3.129 -11.240 4.513 532 HB2 ALA 70 2HB ALA 70 3.618 -9.597 4.945 533 HB3 ALA 70 3HB ALA 70 4.842 -10.864 4.754 534 H ALA 71 H ALA 71 3.610 -10.738 9.068 535 HA ALA 71 HA ALA 71 4.809 -10.019 10.805 536 HB1 ALA 71 1HB ALA 71 6.473 -11.590 9.810 537 HB2 ALA 71 2HB ALA 71 7.246 -10.226 8.983 538 HB3 ALA 71 3HB ALA 71 7.250 -10.310 10.740 539 HA PRO 72 HA PRO 72 5.598 -5.614 10.568 540 HB2 PRO 72 1HB PRO 72 7.437 -5.183 12.581 541 HB3 PRO 72 2HB PRO 72 5.686 -5.499 12.844 542 HG2 PRO 72 1HG PRO 72 7.989 -7.440 12.948 543 HG3 PRO 72 2HG PRO 72 6.677 -7.222 14.155 544 HD2 PRO 72 1HD PRO 72 6.572 -9.171 12.292 545 HD3 PRO 72 2HD PRO 72 5.096 -8.283 12.739 546 H LEU 73 H LEU 73 7.499 -4.016 10.345 547 HA LEU 73 HA LEU 73 9.745 -5.193 8.844 548 HB2 LEU 73 1HB LEU 73 7.485 -4.610 7.502 549 HB3 LEU 73 2HB LEU 73 8.049 -2.960 7.688 550 HG LEU 73 HG LEU 73 10.253 -3.698 6.624 551 HD11 LEU 73 1HD1 LEU 73 8.502 -6.108 5.904 552 HD12 LEU 73 2HD1 LEU 73 9.949 -6.146 6.916 553 HD13 LEU 73 3HD1 LEU 73 10.100 -5.735 5.199 554 HD21 LEU 73 3HD2 LEU 73 8.692 -2.366 5.453 555 HD22 LEU 73 1HD2 LEU 73 7.707 -3.777 5.031 556 HD23 LEU 73 2HD2 LEU 73 9.345 -3.605 4.349 557 HA PRO 74 HA PRO 74 11.801 -1.541 10.552 558 HB2 PRO 74 1HB PRO 74 13.879 -1.268 8.692 559 HB3 PRO 74 2HB PRO 74 13.866 -2.416 10.046 560 HG2 PRO 74 1HG PRO 74 13.064 -2.915 7.177 561 HG3 PRO 74 2HG PRO 74 14.138 -3.912 8.212 562 HD2 PRO 74 1HD PRO 74 11.593 -4.615 7.902 563 HD3 PRO 74 2HD PRO 74 12.300 -4.691 9.515 564 HA PRO 75 HA PRO 75 10.466 2.035 8.239 565 HB2 PRO 75 1HB PRO 75 12.555 3.831 8.550 566 HB3 PRO 75 2HB PRO 75 11.337 3.462 9.798 567 HG2 PRO 75 1HG PRO 75 14.094 2.242 9.458 568 HG3 PRO 75 2HG PRO 75 13.356 2.905 10.961 569 HD2 PRO 75 1HD PRO 75 13.341 0.267 10.489 570 HD3 PRO 75 2HD PRO 75 11.860 1.042 11.122 571 H GLU 76 H GLU 76 13.637 0.603 7.466 572 HA GLU 76 HA GLU 76 13.845 2.113 4.963 573 HB2 GLU 76 1HB GLU 76 15.893 0.937 4.633 574 HB3 GLU 76 2HB GLU 76 15.853 1.632 6.250 575 HG2 GLU 76 1HG GLU 76 15.724 -0.388 7.341 576 HG3 GLU 76 2HG GLU 76 15.039 -1.238 5.957 577 H GLY 77 H GLY 77 12.352 -0.868 6.088 578 HA2 GLY 77 1HA GLY 77 12.502 -2.291 3.637 579 HA3 GLY 77 2HA GLY 77 11.306 -2.529 4.914 580 H LEU 78 H LEU 78 10.347 0.233 4.844 581 HA LEU 78 HA LEU 78 8.370 0.312 2.738 582 HB2 LEU 78 1HB LEU 78 8.046 1.586 4.747 583 HB3 LEU 78 2HB LEU 78 9.595 2.411 4.562 584 HG LEU 78 HG LEU 78 8.677 3.544 2.480 585 HD11 LEU 78 1HD1 LEU 78 6.148 3.670 2.387 586 HD12 LEU 78 2HD1 LEU 78 6.090 2.338 3.547 587 HD13 LEU 78 3HD1 LEU 78 6.793 2.080 1.929 588 HD21 LEU 78 3HD2 LEU 78 7.233 4.031 5.098 589 HD22 LEU 78 1HD2 LEU 78 7.418 5.180 3.739 590 HD23 LEU 78 2HD2 LEU 78 8.849 4.640 4.651 591 H ASN 79 H ASN 79 11.511 2.119 3.099 592 HA ASN 79 HA ASN 79 11.367 3.599 0.807 593 HB2 ASN 79 1HB ASN 79 13.397 2.964 2.748 594 HB3 ASN 79 2HB ASN 79 14.125 2.766 1.171 595 HD21 ASN 79 1HD2 ASN 79 12.215 5.072 3.171 596 HD22 ASN 79 2HD2 ASN 79 12.846 6.496 2.385 597 H ASP 80 H ASP 80 12.126 0.147 0.919 598 HA ASP 80 HA ASP 80 13.267 -0.029 -1.727 599 HB2 ASP 80 1HB ASP 80 13.118 -1.692 0.411 600 HB3 ASP 80 2HB ASP 80 11.778 -2.349 -0.505 601 H LEU 81 H LEU 81 10.020 -0.528 -0.403 602 HA LEU 81 HA LEU 81 8.689 -1.207 -2.858 603 HB2 LEU 81 1HB LEU 81 7.982 -0.547 -0.082 604 HB3 LEU 81 2HB LEU 81 6.890 0.249 -1.198 605 HG LEU 81 HG LEU 81 6.384 -1.900 -2.287 606 HD11 LEU 81 1HD1 LEU 81 7.065 -4.027 -1.214 607 HD12 LEU 81 2HD1 LEU 81 8.184 -3.133 -0.163 608 HD13 LEU 81 3HD1 LEU 81 8.441 -3.183 -1.910 609 HD21 LEU 81 3HD2 LEU 81 4.971 -1.102 -0.519 610 HD22 LEU 81 1HD2 LEU 81 6.098 -1.664 0.727 611 HD23 LEU 81 2HD2 LEU 81 5.176 -2.842 -0.244 612 H ILE 82 H ILE 82 9.238 1.881 -1.223 613 HA ILE 82 HA ILE 82 7.953 3.570 -3.114 614 HB ILE 82 HB ILE 82 10.350 4.180 -1.365 615 HG12 ILE 82 1HG1 ILE 82 8.471 3.416 -0.018 616 HG13 ILE 82 2HG1 ILE 82 8.792 5.097 0.209 617 HG21 ILE 82 1HG2 ILE 82 10.244 5.911 -3.005 618 HG22 ILE 82 2HG2 ILE 82 8.475 6.055 -2.858 619 HG23 ILE 82 3HG2 ILE 82 9.539 6.561 -1.527 620 HD11 ILE 82 3HD1 ILE 82 6.783 5.583 -1.336 621 HD12 ILE 82 1HD1 ILE 82 6.492 3.827 -1.329 622 HD13 ILE 82 2HD1 ILE 82 6.393 4.744 0.171 623 H ARG 83 H ARG 83 11.435 2.551 -2.991 624 HA ARG 83 HA ARG 83 12.412 3.577 -5.256 625 HB2 ARG 83 1HB ARG 83 13.226 1.819 -3.400 626 HB3 ARG 83 2HB ARG 83 12.899 0.645 -4.663 627 HG2 ARG 83 1HG ARG 83 14.546 3.079 -5.214 628 HG3 ARG 83 2HG ARG 83 15.223 1.746 -4.316 629 HD2 ARG 83 1HD ARG 83 14.158 0.338 -6.418 630 HD3 ARG 83 2HD ARG 83 14.546 1.849 -7.226 631 HE ARG 83 HE ARG 83 16.827 1.569 -6.686 632 HH11 ARG 83 1HH1 ARG 83 14.975 -1.306 -5.676 633 HH12 ARG 83 2HH1 ARG 83 16.240 -1.937 -4.675 634 HH21 ARG 83 1HH2 ARG 83 18.434 0.772 -5.288 635 HH22 ARG 83 2HH2 ARG 83 18.400 -0.890 -4.752 636 H ALA 84 H ALA 84 10.369 0.623 -5.109 637 HA ALA 84 HA ALA 84 10.680 -0.087 -7.808 638 HB1 ALA 84 1HB ALA 84 9.711 -1.478 -5.885 639 HB2 ALA 84 2HB ALA 84 8.163 -0.667 -6.227 640 HB3 ALA 84 3HB ALA 84 8.959 -1.660 -7.463 641 H HIS 85 H HIS 85 8.053 1.854 -6.336 642 HA HIS 85 HA HIS 85 6.661 2.500 -8.732 643 HB2 HIS 85 1HB HIS 85 5.554 2.867 -6.692 644 HB3 HIS 85 2HB HIS 85 6.913 3.746 -6.000 645 HD1 HIS 85 1HD HIS 85 3.883 4.480 -8.369 646 HD2 HIS 85 2HD HIS 85 7.127 6.402 -6.437 647 HE1 HIS 85 1HE HIS 85 3.396 6.933 -8.359 648 H CYS 86 H CYS 86 9.314 4.143 -7.025 649 HA CYS 86 HA CYS 86 9.350 6.508 -8.719 650 HB2 CYS 86 1HB CYS 86 11.569 5.145 -7.043 651 HB3 CYS 86 2HB CYS 86 11.626 6.776 -7.683 652 HG CYS 86 HG CYS 86 9.544 5.450 -5.494 653 H ALA 87 H ALA 87 11.257 3.396 -8.906 654 HA ALA 87 HA ALA 87 12.720 4.400 -11.129 655 HB1 ALA 87 1HB ALA 87 13.551 2.583 -9.683 656 HB2 ALA 87 2HB ALA 87 12.228 1.531 -10.221 657 HB3 ALA 87 3HB ALA 87 13.476 2.044 -11.373 658 H THR 88 H THR 88 9.574 2.629 -10.988 659 HA THR 88 HA THR 88 9.611 2.221 -13.836 660 HB THR 88 HB THR 88 8.368 0.729 -12.420 661 HG1 THR 88 1HG THR 88 6.898 2.205 -14.310 662 HG21 THR 88 3HG2 THR 88 6.364 2.975 -11.948 663 HG22 THR 88 1HG2 THR 88 7.378 2.156 -10.733 664 HG23 THR 88 2HG2 THR 88 6.109 1.266 -11.577 665 H LEU 89 H LEU 89 9.340 5.128 -12.132 666 HA LEU 89 HA LEU 89 7.810 6.389 -14.375 667 HB2 LEU 89 1HB LEU 89 7.864 7.168 -11.435 668 HB3 LEU 89 2HB LEU 89 7.027 8.040 -12.725 669 HG LEU 89 HG LEU 89 6.439 5.191 -11.826 670 HD11 LEU 89 1HD1 LEU 89 5.759 6.723 -10.147 671 HD12 LEU 89 2HD1 LEU 89 4.338 6.040 -10.950 672 HD13 LEU 89 3HD1 LEU 89 4.839 7.698 -11.342 673 HD21 LEU 89 3HD2 LEU 89 4.350 5.484 -13.217 674 HD22 LEU 89 1HD2 LEU 89 5.809 5.483 -14.212 675 HD23 LEU 89 2HD2 LEU 89 5.003 7.017 -13.826 676 H GLY 90 H GLY 90 10.126 7.216 -11.805 677 HA2 GLY 90 1HA GLY 90 12.371 7.905 -12.984 678 HA3 GLY 90 2HA GLY 90 11.406 9.315 -13.446 679 H HIS 91 H HIS 91 10.536 8.041 -10.337 680 HA HIS 91 HA HIS 91 10.947 10.755 -9.402 681 HB2 HIS 91 1HB HIS 91 9.910 8.429 -7.766 682 HB3 HIS 91 2HB HIS 91 9.659 10.139 -7.479 683 HD1 HIS 91 1HD HIS 91 6.937 8.333 -7.864 684 HD2 HIS 91 2HD HIS 91 9.101 10.428 -10.752 685 HE1 HIS 91 1HE HIS 91 5.293 9.049 -9.559 686 H CYS 92 H CYS 92 12.148 11.450 -7.470 687 HA CYS 92 HA CYS 92 14.556 9.760 -6.996 688 HB2 CYS 92 1HB CYS 92 15.880 11.837 -7.721 689 HB3 CYS 92 2HB CYS 92 15.157 10.827 -8.960 690 HG CYS 92 HG CYS 92 13.191 12.240 -9.568 691 H CYS 93 H CYS 93 12.393 10.712 -5.142 692 HA CYS 93 HA CYS 93 12.037 11.629 -3.094 693 HB2 CYS 93 1HB CYS 93 13.537 11.576 -1.433 694 HB3 CYS 93 2HB CYS 93 14.151 10.328 -2.516 695 HG CYS 93 HG CYS 93 15.778 12.293 -3.714 696 H THR 94 H THR 94 12.829 13.736 -1.767 697 HA THR 94 HA THR 94 13.755 15.914 -3.444 698 HB THR 94 HB THR 94 11.555 15.976 -4.257 699 HG1 THR 94 1HG THR 94 11.331 17.971 -3.916 700 HG21 THR 94 3HG2 THR 94 9.516 16.050 -2.939 701 HG22 THR 94 1HG2 THR 94 10.436 15.875 -1.437 702 HG23 THR 94 2HG2 THR 94 10.388 14.542 -2.618 703 H SER 95 H SER 95 12.162 14.943 -0.280 704 HA SER 95 HA SER 95 14.416 16.333 1.016 705 HB2 SER 95 1HB SER 95 13.182 17.688 2.329 706 HB3 SER 95 2HB SER 95 12.141 17.700 0.913 707 HG SER 95 HG SER 95 10.818 16.145 1.920 708 H LYS 96 H LYS 96 14.792 15.548 3.204 709 HA LYS 96 HA LYS 96 15.086 13.961 4.749 710 HB2 LYS 96 1HB LYS 96 12.412 14.540 4.557 711 HB3 LYS 96 2HB LYS 96 12.347 12.825 4.280 712 HG2 LYS 96 1HG LYS 96 12.541 12.410 6.488 713 HG3 LYS 96 2HG LYS 96 14.026 13.369 6.616 714 HD2 LYS 96 1HD LYS 96 12.847 15.381 7.074 715 HD3 LYS 96 2HD LYS 96 11.326 14.765 6.475 716 HE2 LYS 96 1HE LYS 96 11.236 14.885 8.885 717 HE3 LYS 96 2HE LYS 96 11.090 13.219 8.323 718 HZ1 LYS 96 3HZ LYS 96 13.442 12.915 8.866 719 HZ2 LYS 96 1HZ LYS 96 12.563 13.304 10.170 720 HZ3 LYS 96 2HZ LYS 96 13.534 14.455 9.444 721 H MET 97 H MET 97 14.216 11.370 5.087 722 HA MET 97 HA MET 97 15.818 9.908 3.115 723 HB2 MET 97 1HB MET 97 15.964 9.535 5.583 724 HB3 MET 97 2HB MET 97 14.304 8.940 5.572 725 HG2 MET 97 1HG MET 97 15.256 7.244 3.751 726 HG3 MET 97 2HG MET 97 16.818 7.737 4.391 727 HE1 MET 97 3HE MET 97 13.539 5.347 6.666 728 HE2 MET 97 1HE MET 97 13.244 7.005 6.104 729 HE3 MET 97 2HE MET 97 13.534 5.703 4.929 730 H HIS 98 H HIS 98 14.069 10.754 1.505 731 HA HIS 98 HA HIS 98 12.251 10.529 0.148 732 HB2 HIS 98 1HB HIS 98 12.462 7.711 1.076 733 HB3 HIS 98 2HB HIS 98 10.902 8.226 0.508 734 HD1 HIS 98 1HD HIS 98 14.211 7.134 -0.795 735 HD2 HIS 98 2HD HIS 98 10.718 9.147 -2.007 736 HE1 HIS 98 1HE HIS 98 14.224 7.100 -3.349 737 H LEU 99 H LEU 99 11.265 8.884 3.235 738 HA LEU 99 HA LEU 99 8.865 10.688 3.464 739 HB2 LEU 99 1HB LEU 99 8.966 7.660 3.300 740 HB3 LEU 99 2HB LEU 99 7.536 8.596 3.739 741 HG LEU 99 HG LEU 99 8.940 8.904 1.028 742 HD11 LEU 99 1HD1 LEU 99 7.195 7.481 0.155 743 HD12 LEU 99 2HD1 LEU 99 6.518 7.277 1.787 744 HD13 LEU 99 3HD1 LEU 99 8.111 6.634 1.421 745 HD21 LEU 99 3HD2 LEU 99 7.646 10.870 1.556 746 HD22 LEU 99 1HD2 LEU 99 6.292 9.900 2.145 747 HD23 LEU 99 2HD2 LEU 99 6.720 9.887 0.423 748 H HIS 100 H HIS 100 7.784 10.542 5.391 749 HA HIS 100 HA HIS 100 9.718 10.239 7.619 750 HB2 HIS 100 1HB HIS 100 7.457 12.159 7.837 751 HB3 HIS 100 2HB HIS 100 9.125 12.305 8.309 752 HD1 HIS 100 1HD HIS 100 6.961 14.122 6.206 753 HD2 HIS 100 2HD HIS 100 10.588 12.122 5.480 754 HE1 HIS 100 1HE HIS 100 8.091 15.355 4.312 755 H SER 101 H SER 101 6.613 9.322 6.486 756 HA SER 101 HA SER 101 6.169 7.437 8.580 757 HB2 SER 101 1HB SER 101 4.341 9.876 8.469 758 HB3 SER 101 2HB SER 101 3.793 8.317 9.095 759 HG SER 101 HG SER 101 6.143 9.580 9.998 760 H VAL 102 H VAL 102 4.020 6.207 8.040 761 HA VAL 102 HA VAL 102 3.801 5.681 5.214 762 HB VAL 102 HB VAL 102 2.034 5.128 7.636 763 HG11 VAL 102 1HG1 VAL 102 0.738 3.557 6.180 764 HG12 VAL 102 2HG1 VAL 102 0.493 5.227 5.719 765 HG13 VAL 102 3HG1 VAL 102 1.582 4.234 4.760 766 HG21 VAL 102 3HG2 VAL 102 4.199 3.960 7.560 767 HG22 VAL 102 1HG2 VAL 102 2.908 2.803 7.252 768 HG23 VAL 102 2HG2 VAL 102 3.879 3.407 5.904 769 H MET 103 H MET 103 2.010 7.855 7.460 770 HA MET 103 HA MET 103 -0.020 8.626 5.653 771 HB2 MET 103 1HB MET 103 -0.033 8.993 8.084 772 HB3 MET 103 2HB MET 103 1.231 10.224 7.943 773 HG2 MET 103 1HG MET 103 -0.192 11.742 6.863 774 HG3 MET 103 2HG MET 103 -1.295 10.485 6.301 775 HE1 MET 103 3HE MET 103 -4.080 10.489 8.679 776 HE2 MET 103 1HE MET 103 -3.602 10.920 7.022 777 HE3 MET 103 2HE MET 103 -3.147 9.335 7.696 778 H ASP 104 H ASP 104 3.216 10.077 6.239 779 HA ASP 104 HA ASP 104 3.057 12.177 4.365 780 HB2 ASP 104 1HB ASP 104 5.410 10.495 5.307 781 HB3 ASP 104 2HB ASP 104 5.601 11.788 4.118 782 H ALA 105 H ALA 105 3.591 8.704 3.842 783 HA ALA 105 HA ALA 105 4.513 8.969 1.121 784 HB1 ALA 105 1HB ALA 105 2.974 6.586 2.251 785 HB2 ALA 105 2HB ALA 105 4.260 6.580 1.036 786 HB3 ALA 105 3HB ALA 105 4.626 6.895 2.764 787 H ILE 106 H ILE 106 1.309 8.657 2.612 788 HA ILE 106 HA ILE 106 -0.210 8.243 0.203 789 HB ILE 106 HB ILE 106 -1.020 9.549 2.826 790 HG12 ILE 106 1HG1 ILE 106 -0.196 7.306 3.273 791 HG13 ILE 106 2HG1 ILE 106 -1.919 7.427 3.496 792 HG21 ILE 106 1HG2 ILE 106 -3.310 8.910 2.256 793 HG22 ILE 106 2HG2 ILE 106 -2.628 10.090 1.140 794 HG23 ILE 106 3HG2 ILE 106 -2.773 8.397 0.634 795 HD11 ILE 106 3HD1 ILE 106 -2.341 6.235 1.410 796 HD12 ILE 106 1HD1 ILE 106 -0.590 6.189 1.052 797 HD13 ILE 106 2HD1 ILE 106 -1.238 5.303 2.435 798 H ASP 107 H ASP 107 0.632 11.114 2.145 799 HA ASP 107 HA ASP 107 -0.629 13.034 0.509 800 HB2 ASP 107 1HB ASP 107 0.420 13.029 2.973 801 HB3 ASP 107 2HB ASP 107 1.800 13.720 2.125 802 H PHE 108 H PHE 108 2.788 12.015 0.672 803 HA PHE 108 HA PHE 108 3.944 13.595 -1.296 804 HB2 PHE 108 1HB PHE 108 5.208 12.108 0.270 805 HB3 PHE 108 2HB PHE 108 4.527 10.707 -0.518 806 HD1 PHE 108 1HD PHE 108 6.370 13.837 -1.589 807 HD2 PHE 108 2HD PHE 108 5.898 9.566 -2.044 808 HE1 PHE 108 1HE PHE 108 8.191 13.805 -3.256 809 HE2 PHE 108 2HE PHE 108 7.759 9.543 -3.681 810 HZ PHE 108 HZ PHE 108 8.914 11.650 -4.287 811 H LEU 109 H LEU 109 2.507 10.305 -1.726 812 HA LEU 109 HA LEU 109 3.295 10.107 -4.455 813 HB2 LEU 109 1HB LEU 109 1.138 8.752 -2.794 814 HB3 LEU 109 2HB LEU 109 1.370 8.346 -4.487 815 HG LEU 109 HG LEU 109 3.668 8.184 -2.469 816 HD11 LEU 109 1HD1 LEU 109 1.763 5.973 -3.339 817 HD12 LEU 109 2HD1 LEU 109 1.867 6.715 -1.719 818 HD13 LEU 109 3HD1 LEU 109 3.234 5.778 -2.340 819 HD21 LEU 109 3HD2 LEU 109 4.643 6.671 -4.157 820 HD22 LEU 109 1HD2 LEU 109 4.336 8.278 -4.834 821 HD23 LEU 109 2HD2 LEU 109 3.230 6.947 -5.216 822 H ASN 110 H ASN 110 0.422 11.415 -2.976 823 HA ASN 110 HA ASN 110 -0.923 11.894 -5.563 824 HB2 ASN 110 1HB ASN 110 -1.605 12.786 -2.732 825 HB3 ASN 110 2HB ASN 110 -2.538 13.223 -4.167 826 HD21 ASN 110 1HD2 ASN 110 -1.542 10.434 -2.128 827 HD22 ASN 110 2HD2 ASN 110 -2.893 9.432 -2.685 828 H ALA 111 H ALA 111 1.234 13.687 -3.364 829 HA ALA 111 HA ALA 111 0.808 16.227 -4.653 830 HB1 ALA 111 1HB ALA 111 3.111 15.211 -2.939 831 HB2 ALA 111 2HB ALA 111 2.764 16.891 -3.367 832 HB3 ALA 111 3HB ALA 111 1.632 16.004 -2.341 833 H LEU 112 H LEU 112 2.883 13.432 -5.332 834 HA LEU 112 HA LEU 112 4.703 14.783 -7.104 835 HB2 LEU 112 1HB LEU 112 3.780 11.879 -6.903 836 HB3 LEU 112 2HB LEU 112 4.826 12.419 -8.202 837 HG LEU 112 HG LEU 112 5.505 12.365 -5.242 838 HD11 LEU 112 1HD1 LEU 112 6.788 11.064 -7.671 839 HD12 LEU 112 2HD1 LEU 112 5.627 10.206 -6.618 840 HD13 LEU 112 3HD1 LEU 112 7.190 10.727 -5.983 841 HD21 LEU 112 3HD2 LEU 112 6.569 14.364 -6.133 842 HD22 LEU 112 1HD2 LEU 112 7.044 13.514 -7.623 843 HD23 LEU 112 2HD2 LEU 112 7.807 13.101 -6.069 844 H GLU 113 H GLU 113 1.585 13.151 -7.706 845 HA GLU 113 HA GLU 113 1.747 13.502 -10.570 846 HB2 GLU 113 1HB GLU 113 -0.573 12.800 -10.598 847 HB3 GLU 113 2HB GLU 113 0.446 11.676 -9.709 848 HG2 GLU 113 1HG GLU 113 -0.390 12.511 -7.597 849 HG3 GLU 113 2HG GLU 113 -1.347 13.762 -8.403 850 H GLY 114 H GLY 114 0.853 15.108 -11.879 851 HA2 GLY 114 1HA GLY 114 -0.816 17.018 -11.942 852 HA3 GLY 114 2HA GLY 114 0.057 17.617 -10.526
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