NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
277317 | 2kpq | 16564 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 -22.227 11.142 14.113 2 H2 MET 1 2H MET 1 -22.457 11.110 15.793 3 H3 MET 1 3H MET 1 -23.796 11.028 14.753 4 HA MET 1 HA MET 1 -23.253 8.871 15.714 5 HB2 MET 1 1HB MET 1 -22.891 9.245 12.743 6 HB3 MET 1 2HB MET 1 -22.943 7.651 13.478 7 HG2 MET 1 1HG MET 1 -25.185 8.135 14.338 8 HG3 MET 1 2HG MET 1 -25.125 9.718 13.563 9 HE1 MET 1 3HE MET 1 -24.977 5.771 11.165 10 HE2 MET 1 1HE MET 1 -25.023 5.821 12.927 11 HE3 MET 1 2HE MET 1 -23.606 6.418 12.063 12 H GLU 2 H GLU 2 -21.690 7.673 16.581 13 HA GLU 2 HA GLU 2 -18.934 8.197 16.069 14 HB2 GLU 2 1HB GLU 2 -20.247 5.868 17.486 15 HB3 GLU 2 2HB GLU 2 -18.521 6.198 17.483 16 HG2 GLU 2 1HG GLU 2 -19.023 8.399 18.545 17 HG3 GLU 2 2HG GLU 2 -20.698 7.870 18.703 18 H VAL 3 H VAL 3 -18.066 7.729 14.170 19 HA VAL 3 HA VAL 3 -19.124 5.649 12.493 20 HB VAL 3 HB VAL 3 -17.341 6.280 10.906 21 HG11 VAL 3 1HG1 VAL 3 -18.115 8.574 10.479 22 HG12 VAL 3 2HG1 VAL 3 -18.857 8.609 12.078 23 HG13 VAL 3 3HG1 VAL 3 -19.448 7.483 10.857 24 HG21 VAL 3 3HG2 VAL 3 -15.880 8.184 11.400 25 HG22 VAL 3 1HG2 VAL 3 -15.581 6.838 12.499 26 HG23 VAL 3 2HG2 VAL 3 -16.506 8.236 13.047 27 H GLN 4 H GLN 4 -17.885 3.894 11.617 28 HA GLN 4 HA GLN 4 -16.385 2.510 13.631 29 HB2 GLN 4 1HB GLN 4 -16.910 1.737 10.754 30 HB3 GLN 4 2HB GLN 4 -16.310 0.671 12.019 31 HG2 GLN 4 1HG GLN 4 -18.403 1.013 13.264 32 HG3 GLN 4 2HG GLN 4 -19.003 2.006 11.940 33 HE21 GLN 4 2HE2 GLN 4 -20.067 -0.439 13.055 34 HE22 GLN 4 1HE2 GLN 4 -20.155 -1.574 11.748 35 H SER 5 H SER 5 -15.622 4.727 11.255 36 HA SER 5 HA SER 5 -12.866 3.903 10.929 37 HB2 SER 5 1HB SER 5 -14.190 6.514 10.142 38 HB3 SER 5 2HB SER 5 -12.652 5.886 9.549 39 HG SER 5 HG SER 5 -14.306 3.981 9.023 40 H MET 6 H MET 6 -11.407 6.191 11.251 41 HA MET 6 HA MET 6 -11.881 6.869 14.081 42 HB2 MET 6 1HB MET 6 -9.206 6.460 12.723 43 HB3 MET 6 2HB MET 6 -9.442 6.943 14.397 44 HG2 MET 6 1HG MET 6 -10.281 4.326 13.175 45 HG3 MET 6 2HG MET 6 -8.886 4.586 14.217 46 HE1 MET 6 3HE MET 6 -10.008 6.582 16.420 47 HE2 MET 6 1HE MET 6 -9.035 5.158 16.786 48 HE3 MET 6 2HE MET 6 -10.546 5.437 17.649 49 H LEU 7 H LEU 7 -10.597 8.888 14.715 50 HA LEU 7 HA LEU 7 -11.109 10.954 12.727 51 HB2 LEU 7 1HB LEU 7 -11.805 11.282 15.087 52 HB3 LEU 7 2HB LEU 7 -10.125 11.190 15.580 53 HG LEU 7 HG LEU 7 -9.647 13.226 14.259 54 HD11 LEU 7 1HD1 LEU 7 -11.418 13.001 12.600 55 HD12 LEU 7 2HD1 LEU 7 -11.490 14.568 13.404 56 HD13 LEU 7 3HD1 LEU 7 -12.631 13.297 13.845 57 HD21 LEU 7 3HD2 LEU 7 -10.742 14.792 15.765 58 HD22 LEU 7 1HD2 LEU 7 -10.165 13.376 16.642 59 HD23 LEU 7 2HD2 LEU 7 -11.880 13.537 16.260 60 H LEU 8 H LEU 8 -8.459 9.419 14.435 61 HA LEU 8 HA LEU 8 -6.437 11.060 13.201 62 HB2 LEU 8 1HB LEU 8 -6.231 8.458 14.719 63 HB3 LEU 8 2HB LEU 8 -4.863 9.428 14.206 64 HG LEU 8 HG LEU 8 -6.992 10.311 16.158 65 HD11 LEU 8 1HD1 LEU 8 -4.127 9.488 16.602 66 HD12 LEU 8 2HD1 LEU 8 -5.559 8.583 17.090 67 HD13 LEU 8 3HD1 LEU 8 -5.212 10.147 17.827 68 HD21 LEU 8 3HD2 LEU 8 -4.452 11.656 15.236 69 HD22 LEU 8 1HD2 LEU 8 -5.481 12.214 16.554 70 HD23 LEU 8 2HD2 LEU 8 -6.102 12.187 14.903 71 H ASN 9 H ASN 9 -8.254 8.314 12.343 72 HA ASN 9 HA ASN 9 -6.568 7.973 9.956 73 HB2 ASN 9 1HB ASN 9 -7.098 5.991 11.846 74 HB3 ASN 9 2HB ASN 9 -8.227 5.655 10.535 75 HD21 ASN 9 2HD2 ASN 9 -4.933 5.772 11.519 76 HD22 ASN 9 1HD2 ASN 9 -4.264 5.006 10.120 77 H ASP 10 H ASP 10 -7.715 9.353 8.718 78 HA ASP 10 HA ASP 10 -10.398 9.902 8.729 79 HB2 ASP 10 1HB ASP 10 -8.598 9.906 6.298 80 HB3 ASP 10 2HB ASP 10 -10.094 10.818 6.485 81 H VAL 11 H VAL 11 -8.742 7.502 6.745 82 HA VAL 11 HA VAL 11 -11.354 6.251 6.262 83 HB VAL 11 HB VAL 11 -10.608 7.135 4.162 84 HG11 VAL 11 1HG1 VAL 11 -8.247 7.412 4.652 85 HG12 VAL 11 2HG1 VAL 11 -8.465 6.524 3.144 86 HG13 VAL 11 3HG1 VAL 11 -8.017 5.664 4.618 87 HG21 VAL 11 3HG2 VAL 11 -10.103 4.161 4.269 88 HG22 VAL 11 1HG2 VAL 11 -10.447 5.092 2.812 89 HG23 VAL 11 2HG2 VAL 11 -11.668 4.948 4.075 90 H LYS 12 H LYS 12 -11.508 4.502 7.438 91 HA LYS 12 HA LYS 12 -9.140 2.996 8.183 92 HB2 LYS 12 1HB LYS 12 -10.867 3.472 9.880 93 HB3 LYS 12 2HB LYS 12 -12.042 2.574 8.929 94 HG2 LYS 12 1HG LYS 12 -10.836 0.524 9.276 95 HG3 LYS 12 2HG LYS 12 -9.529 1.388 10.086 96 HD2 LYS 12 1HD LYS 12 -11.089 2.056 11.857 97 HD3 LYS 12 2HD LYS 12 -12.378 1.158 11.051 98 HE2 LYS 12 1HE LYS 12 -11.149 -0.911 11.335 99 HE3 LYS 12 2HE LYS 12 -9.798 -0.035 12.052 100 HZ1 LYS 12 3HZ LYS 12 -11.249 0.621 13.878 101 HZ2 LYS 12 1HZ LYS 12 -11.145 -1.066 13.742 102 HZ3 LYS 12 2HZ LYS 12 -12.531 -0.261 13.197 103 H TRP 13 H TRP 13 -8.826 0.803 7.675 104 HA TRP 13 HA TRP 13 -9.912 0.136 5.054 105 HB2 TRP 13 1HB TRP 13 -7.375 -0.020 6.122 106 HB3 TRP 13 2HB TRP 13 -7.930 -1.687 6.224 107 HD1 TRP 13 HD1 TRP 13 -9.702 -1.260 3.392 108 HE1 TRP 13 HE1 TRP 13 -8.382 -1.471 1.192 109 HE3 TRP 13 HE3 TRP 13 -4.983 -0.527 5.216 110 HZ2 TRP 13 HZ2 TRP 13 -5.685 -1.353 0.350 111 HZ3 TRP 13 HZ3 TRP 13 -3.089 -0.596 3.651 112 HH2 TRP 13 HH2 TRP 13 -3.433 -1.001 1.267 113 H GLU 14 H GLU 14 -9.936 -2.479 4.854 114 HA GLU 14 HA GLU 14 -12.191 -3.336 6.324 115 HB2 GLU 14 1HB GLU 14 -10.234 -5.004 4.731 116 HB3 GLU 14 2HB GLU 14 -11.851 -5.493 5.221 117 HG2 GLU 14 1HG GLU 14 -11.141 -3.287 3.302 118 HG3 GLU 14 2HG GLU 14 -11.850 -4.850 2.902 119 H LYS 15 H LYS 15 -8.778 -3.660 6.727 120 HA LYS 15 HA LYS 15 -7.806 -3.713 8.866 121 HB2 LYS 15 1HB LYS 15 -9.919 -4.140 10.068 122 HB3 LYS 15 2HB LYS 15 -9.799 -5.840 9.634 123 HG2 LYS 15 1HG LYS 15 -7.632 -5.940 10.830 124 HG3 LYS 15 2HG LYS 15 -7.889 -4.275 11.352 125 HD2 LYS 15 1HD LYS 15 -9.933 -4.936 12.501 126 HD3 LYS 15 2HD LYS 15 -9.720 -6.598 11.947 127 HE2 LYS 15 1HE LYS 15 -8.940 -6.494 14.190 128 HE3 LYS 15 2HE LYS 15 -7.525 -6.623 13.148 129 HZ1 LYS 15 3HZ LYS 15 -7.375 -4.132 13.319 130 HZ2 LYS 15 1HZ LYS 15 -7.039 -4.984 14.745 131 HZ3 LYS 15 2HZ LYS 15 -8.535 -4.220 14.551 132 HA PRO 16 HA PRO 16 -6.368 -8.221 8.233 133 HB2 PRO 16 1HB PRO 16 -7.534 -9.794 6.373 134 HB3 PRO 16 2HB PRO 16 -8.123 -9.689 8.036 135 HG2 PRO 16 1HG PRO 16 -9.141 -8.329 5.573 136 HG3 PRO 16 2HG PRO 16 -10.054 -9.114 6.875 137 HD2 PRO 16 1HD PRO 16 -9.724 -6.426 6.717 138 HD3 PRO 16 2HD PRO 16 -9.891 -7.289 8.258 139 H VAL 17 H VAL 17 -5.372 -6.067 6.986 140 HA VAL 17 HA VAL 17 -4.550 -7.039 4.322 141 HB VAL 17 HB VAL 17 -4.369 -4.209 5.380 142 HG11 VAL 17 1HG1 VAL 17 -3.854 -3.621 3.058 143 HG12 VAL 17 2HG1 VAL 17 -3.889 -5.328 2.620 144 HG13 VAL 17 3HG1 VAL 17 -2.657 -4.728 3.730 145 HG21 VAL 17 3HG2 VAL 17 -6.190 -3.700 3.802 146 HG22 VAL 17 1HG2 VAL 17 -6.693 -4.826 5.062 147 HG23 VAL 17 2HG2 VAL 17 -6.337 -5.420 3.440 148 H THR 18 H THR 18 -2.692 -8.104 4.506 149 HA THR 18 HA THR 18 -0.756 -7.264 6.564 150 HB THR 18 HB THR 18 -0.882 -9.924 5.146 151 HG1 THR 18 HG1 THR 18 -2.800 -9.310 6.467 152 HG21 THR 18 3HG2 THR 18 0.428 -9.060 7.726 153 HG22 THR 18 1HG2 THR 18 1.257 -9.391 6.205 154 HG23 THR 18 2HG2 THR 18 0.433 -10.693 7.062 155 H ILE 19 H ILE 19 1.006 -6.250 5.884 156 HA ILE 19 HA ILE 19 2.042 -6.783 3.185 157 HB ILE 19 HB ILE 19 2.637 -4.584 5.170 158 HG12 ILE 19 1HG1 ILE 19 0.600 -4.329 3.806 159 HG13 ILE 19 2HG1 ILE 19 1.814 -3.122 3.390 160 HG21 ILE 19 1HG2 ILE 19 4.740 -5.282 4.134 161 HG22 ILE 19 2HG2 ILE 19 4.248 -3.683 3.579 162 HG23 ILE 19 3HG2 ILE 19 4.018 -5.086 2.537 163 HD11 ILE 19 3HD1 ILE 19 1.296 -5.649 1.846 164 HD12 ILE 19 1HD1 ILE 19 2.422 -4.362 1.418 165 HD13 ILE 19 2HD1 ILE 19 0.685 -4.049 1.426 166 H SER 20 H SER 20 3.624 -8.225 2.987 167 HA SER 20 HA SER 20 4.991 -9.202 5.341 168 HB2 SER 20 1HB SER 20 4.161 -10.753 3.567 169 HB3 SER 20 2HB SER 20 5.334 -10.049 2.453 170 HG SER 20 HG SER 20 5.831 -12.078 3.831 171 H LEU 21 H LEU 21 6.581 -7.940 6.072 172 HA LEU 21 HA LEU 21 8.285 -6.481 4.233 173 HB2 LEU 21 1HB LEU 21 8.298 -6.621 7.249 174 HB3 LEU 21 2HB LEU 21 9.303 -5.556 6.283 175 HG LEU 21 HG LEU 21 6.288 -5.473 6.392 176 HD11 LEU 21 1HD1 LEU 21 6.599 -3.394 7.630 177 HD12 LEU 21 2HD1 LEU 21 8.345 -3.643 7.616 178 HD13 LEU 21 3HD1 LEU 21 7.302 -4.764 8.491 179 HD21 LEU 21 3HD2 LEU 21 7.186 -4.740 4.243 180 HD22 LEU 21 1HD2 LEU 21 8.275 -3.627 5.070 181 HD23 LEU 21 2HD2 LEU 21 6.531 -3.380 5.155 182 H GLN 22 H GLN 22 10.183 -7.164 3.542 183 HA GLN 22 HA GLN 22 11.138 -9.756 4.050 184 HB2 GLN 22 1HB GLN 22 12.577 -7.378 2.855 185 HB3 GLN 22 2HB GLN 22 13.143 -9.041 2.782 186 HG2 GLN 22 1HG GLN 22 11.190 -9.670 1.484 187 HG3 GLN 22 2HG GLN 22 10.575 -8.022 1.591 188 HE21 GLN 22 2HE2 GLN 22 11.283 -9.641 -0.752 189 HE22 GLN 22 1HE2 GLN 22 12.460 -8.723 -1.619 190 H ASN 23 H ASN 23 12.285 -6.589 5.160 191 HA ASN 23 HA ASN 23 14.188 -7.915 6.950 192 HB2 ASN 23 1HB ASN 23 13.868 -5.029 6.116 193 HB3 ASN 23 2HB ASN 23 15.002 -5.554 7.355 194 HD21 ASN 23 2HD2 ASN 23 15.574 -4.255 4.838 195 HD22 ASN 23 1HD2 ASN 23 16.602 -5.340 3.956 196 H GLY 24 H GLY 24 11.138 -7.572 7.253 197 HA2 GLY 24 1HA GLY 24 11.300 -6.727 10.057 198 HA3 GLY 24 2HA GLY 24 10.068 -6.020 9.021 199 H ALA 25 H ALA 25 8.166 -6.956 9.063 200 HA ALA 25 HA ALA 25 7.836 -9.802 9.324 201 HB1 ALA 25 3HB ALA 25 8.203 -9.188 11.667 202 HB2 ALA 25 1HB ALA 25 6.538 -9.707 11.406 203 HB3 ALA 25 2HB ALA 25 6.912 -7.991 11.562 204 HA PRO 26 HA PRO 26 3.904 -9.019 7.290 205 HB2 PRO 26 1HB PRO 26 2.665 -10.610 9.486 206 HB3 PRO 26 2HB PRO 26 2.506 -10.793 7.735 207 HG2 PRO 26 1HG PRO 26 4.013 -12.475 9.129 208 HG3 PRO 26 2HG PRO 26 4.536 -11.903 7.533 209 HD2 PRO 26 1HD PRO 26 5.476 -11.083 10.245 210 HD3 PRO 26 2HD PRO 26 6.398 -11.273 8.740 211 H ARG 27 H ARG 27 3.507 -6.892 7.615 212 HA ARG 27 HA ARG 27 2.514 -6.011 10.218 213 HB2 ARG 27 1HB ARG 27 4.346 -4.726 9.259 214 HB3 ARG 27 2HB ARG 27 3.418 -4.448 7.793 215 HG2 ARG 27 1HG ARG 27 2.209 -2.787 8.713 216 HG3 ARG 27 2HG ARG 27 2.143 -3.564 10.298 217 HD2 ARG 27 1HD ARG 27 4.594 -2.225 9.156 218 HD3 ARG 27 2HD ARG 27 3.459 -1.447 10.262 219 HE ARG 27 HE ARG 27 4.047 -3.462 11.764 220 HH11 ARG 27 1HH1 ARG 27 6.285 -1.793 9.634 221 HH12 ARG 27 2HH1 ARG 27 7.683 -2.214 10.568 222 HH21 ARG 27 1HH2 ARG 27 5.896 -3.998 12.999 223 HH22 ARG 27 2HH2 ARG 27 7.468 -3.448 12.476 224 H ILE 28 H ILE 28 0.426 -6.111 10.504 225 HA ILE 28 HA ILE 28 -1.405 -5.930 8.244 226 HB ILE 28 HB ILE 28 -1.988 -6.538 11.151 227 HG12 ILE 28 1HG1 ILE 28 -1.689 -8.417 8.795 228 HG13 ILE 28 2HG1 ILE 28 -0.516 -8.220 10.093 229 HG21 ILE 28 1HG2 ILE 28 -4.127 -7.399 10.298 230 HG22 ILE 28 2HG2 ILE 28 -3.691 -6.850 8.680 231 HG23 ILE 28 3HG2 ILE 28 -3.932 -5.676 9.974 232 HD11 ILE 28 3HD1 ILE 28 -3.332 -9.238 10.411 233 HD12 ILE 28 1HD1 ILE 28 -2.137 -9.067 11.697 234 HD13 ILE 28 2HD1 ILE 28 -1.867 -10.220 10.391 235 H PHE 29 H PHE 29 -2.313 -4.065 7.719 236 HA PHE 29 HA PHE 29 -2.158 -1.820 9.579 237 HB2 PHE 29 1HB PHE 29 -2.980 -1.919 6.668 238 HB3 PHE 29 2HB PHE 29 -2.861 -0.453 7.634 239 HD1 PHE 29 HD1 PHE 29 -0.679 0.409 8.325 240 HD2 PHE 29 HD2 PHE 29 -1.030 -3.023 5.833 241 HE1 PHE 29 HE1 PHE 29 1.694 0.622 7.701 242 HE2 PHE 29 HE2 PHE 29 1.339 -2.816 5.210 243 HZ PHE 29 HZ PHE 29 2.703 -0.995 6.138 244 H ASN 30 H ASN 30 -3.974 -0.484 10.037 245 HA ASN 30 HA ASN 30 -6.516 -1.977 9.969 246 HB2 ASN 30 1HB ASN 30 -5.570 0.177 11.876 247 HB3 ASN 30 2HB ASN 30 -7.182 -0.532 11.892 248 HD21 ASN 30 2HD2 ASN 30 -3.848 -0.975 12.673 249 HD22 ASN 30 1HD2 ASN 30 -4.034 -2.452 13.557 250 H GLY 31 H GLY 31 -4.882 0.910 9.016 251 HA2 GLY 31 1HA GLY 31 -7.391 1.871 7.811 252 HA3 GLY 31 2HA GLY 31 -6.403 2.971 8.759 253 H VAL 32 H VAL 32 -7.138 3.280 6.028 254 HA VAL 32 HA VAL 32 -4.969 2.524 4.331 255 HB VAL 32 HB VAL 32 -7.014 4.709 3.880 256 HG11 VAL 32 1HG1 VAL 32 -5.310 3.147 1.943 257 HG12 VAL 32 2HG1 VAL 32 -5.132 4.852 2.360 258 HG13 VAL 32 3HG1 VAL 32 -6.569 4.299 1.499 259 HG21 VAL 32 3HG2 VAL 32 -8.126 2.598 4.363 260 HG22 VAL 32 1HG2 VAL 32 -7.150 1.788 3.138 261 HG23 VAL 32 2HG2 VAL 32 -8.311 3.027 2.662 262 H TYR 33 H TYR 33 -5.636 5.168 6.464 263 HA TYR 33 HA TYR 33 -3.835 7.065 5.407 264 HB2 TYR 33 1HB TYR 33 -5.582 7.630 7.058 265 HB3 TYR 33 2HB TYR 33 -4.727 6.692 8.278 266 HD1 TYR 33 HD2 TYR 33 -4.472 9.685 6.104 267 HD2 TYR 33 HD1 TYR 33 -2.964 7.653 9.526 268 HE1 TYR 33 HE2 TYR 33 -3.163 11.675 6.705 269 HE2 TYR 33 HE1 TYR 33 -1.652 9.641 10.133 270 HH TYR 33 HH TYR 33 -2.174 12.673 8.778 271 H GLU 34 H GLU 34 -3.442 4.365 7.628 272 HA GLU 34 HA GLU 34 -0.783 4.916 8.430 273 HB2 GLU 34 1HB GLU 34 -2.113 2.213 8.149 274 HB3 GLU 34 2HB GLU 34 -0.682 2.574 9.099 275 HG2 GLU 34 1HG GLU 34 -2.009 3.985 10.575 276 HG3 GLU 34 2HG GLU 34 -3.449 3.629 9.618 277 H ALA 35 H ALA 35 -2.180 2.962 5.845 278 HA ALA 35 HA ALA 35 0.222 1.917 4.830 279 HB1 ALA 35 3HB ALA 35 -2.033 1.003 4.380 280 HB2 ALA 35 1HB ALA 35 -1.077 1.249 2.915 281 HB3 ALA 35 2HB ALA 35 -2.352 2.392 3.339 282 H PHE 36 H PHE 36 -1.669 4.777 3.915 283 HA PHE 36 HA PHE 36 -0.113 5.591 1.734 284 HB2 PHE 36 1HB PHE 36 -2.322 6.542 2.230 285 HB3 PHE 36 2HB PHE 36 -1.682 7.291 3.688 286 HD1 PHE 36 HD1 PHE 36 -1.146 7.211 0.004 287 HD2 PHE 36 HD2 PHE 36 -0.944 9.474 3.602 288 HE1 PHE 36 HE1 PHE 36 -0.558 9.219 -1.292 289 HE2 PHE 36 HE2 PHE 36 -0.357 11.482 2.312 290 HZ PHE 36 HZ PHE 36 -0.162 11.357 -0.138 291 H ASP 37 H ASP 37 0.174 6.339 5.184 292 HA ASP 37 HA ASP 37 2.397 8.085 4.916 293 HB2 ASP 37 1HB ASP 37 0.992 8.095 6.917 294 HB3 ASP 37 2HB ASP 37 1.470 6.442 7.282 295 H PHE 38 H PHE 38 2.074 4.639 5.588 296 HA PHE 38 HA PHE 38 4.751 3.985 6.014 297 HB2 PHE 38 1HB PHE 38 3.065 2.395 6.543 298 HB3 PHE 38 2HB PHE 38 2.421 2.424 4.908 299 HD1 PHE 38 HD2 PHE 38 5.491 1.495 6.811 300 HD2 PHE 38 HD1 PHE 38 3.026 0.789 3.414 301 HE1 PHE 38 HE2 PHE 38 6.848 -0.478 6.236 302 HE2 PHE 38 HE1 PHE 38 4.377 -1.181 2.835 303 HZ PHE 38 HZ PHE 38 6.287 -1.819 4.242 304 H LEU 39 H LEU 39 2.926 4.283 3.015 305 HA LEU 39 HA LEU 39 4.791 3.218 1.229 306 HB2 LEU 39 1HB LEU 39 2.721 5.377 0.863 307 HB3 LEU 39 2HB LEU 39 3.646 4.695 -0.459 308 HG LEU 39 HG LEU 39 1.850 3.061 1.332 309 HD11 LEU 39 1HD1 LEU 39 0.525 4.706 0.130 310 HD12 LEU 39 2HD1 LEU 39 0.263 3.094 -0.536 311 HD13 LEU 39 3HD1 LEU 39 1.296 4.242 -1.387 312 HD21 LEU 39 3HD2 LEU 39 3.168 2.483 -1.319 313 HD22 LEU 39 1HD2 LEU 39 2.037 1.418 -0.485 314 HD23 LEU 39 2HD2 LEU 39 3.602 1.783 0.240 315 H GLN 40 H GLN 40 4.802 6.258 2.892 316 HA GLN 40 HA GLN 40 6.782 7.352 1.037 317 HB2 GLN 40 1HB GLN 40 5.433 8.685 3.394 318 HB3 GLN 40 2HB GLN 40 6.455 9.473 2.199 319 HG2 GLN 40 1HG GLN 40 4.814 8.934 0.458 320 HG3 GLN 40 2HG GLN 40 3.784 8.184 1.676 321 HE21 GLN 40 2HE2 GLN 40 4.492 10.231 3.680 322 HE22 GLN 40 1HE2 GLN 40 3.611 11.649 3.226 323 H HIS 41 H HIS 41 6.492 5.998 4.202 324 HA HIS 41 HA HIS 41 8.920 7.140 5.219 325 HB2 HIS 41 1HB HIS 41 6.967 5.120 6.234 326 HB3 HIS 41 2HB HIS 41 8.557 5.226 6.982 327 HD1 HIS 41 HD1 HIS 41 8.687 6.801 8.883 328 HD2 HIS 41 HD2 HIS 41 5.640 7.792 6.233 329 HE1 HIS 41 HE1 HIS 41 7.504 8.767 9.909 330 HE2 HIS 41 HE2 HIS 41 5.502 9.143 8.428 331 H GLU 42 H GLU 42 8.142 3.674 4.929 332 HA GLU 42 HA GLU 42 10.840 3.260 3.874 333 HB2 GLU 42 1HB GLU 42 9.701 1.930 6.328 334 HB3 GLU 42 2HB GLU 42 11.116 1.333 5.472 335 HG2 GLU 42 1HG GLU 42 12.299 3.388 5.927 336 HG3 GLU 42 2HG GLU 42 10.869 4.068 6.701 337 H TRP 43 H TRP 43 9.200 3.049 2.036 338 HA TRP 43 HA TRP 43 8.189 0.329 1.817 339 HB2 TRP 43 1HB TRP 43 6.880 2.182 0.845 340 HB3 TRP 43 2HB TRP 43 8.235 2.593 -0.200 341 HD1 TRP 43 HD1 TRP 43 8.551 1.202 -2.383 342 HE1 TRP 43 HE1 TRP 43 7.129 -0.569 -3.593 343 HE3 TRP 43 HE3 TRP 43 5.225 0.161 1.354 344 HZ2 TRP 43 HZ2 TRP 43 4.887 -2.189 -3.029 345 HZ3 TRP 43 HZ3 TRP 43 3.472 -1.515 0.937 346 HH2 TRP 43 HH2 TRP 43 3.308 -2.664 -1.210 347 HA PRO 44 HA PRO 44 12.247 -1.139 0.905 348 HB2 PRO 44 1HB PRO 44 11.379 -3.401 -0.512 349 HB3 PRO 44 2HB PRO 44 11.693 -3.302 1.222 350 HG2 PRO 44 1HG PRO 44 9.110 -3.103 -0.253 351 HG3 PRO 44 2HG PRO 44 9.450 -3.829 1.329 352 HD2 PRO 44 1HD PRO 44 8.235 -1.460 1.137 353 HD3 PRO 44 2HD PRO 44 9.431 -1.770 2.414 354 H ALA 45 H ALA 45 10.273 -2.141 -1.879 355 HA ALA 45 HA ALA 45 12.230 -0.792 -3.616 356 HB1 ALA 45 3HB ALA 45 11.625 -2.405 -5.346 357 HB2 ALA 45 1HB ALA 45 10.450 -3.146 -4.259 358 HB3 ALA 45 2HB ALA 45 12.173 -3.231 -3.886 359 H ARG 46 H ARG 46 11.449 1.103 -4.239 360 HA ARG 46 HA ARG 46 8.730 1.818 -4.037 361 HB2 ARG 46 1HB ARG 46 10.885 3.210 -5.627 362 HB3 ARG 46 2HB ARG 46 9.388 3.923 -5.034 363 HG2 ARG 46 1HG ARG 46 10.117 3.602 -2.741 364 HG3 ARG 46 2HG ARG 46 11.600 2.834 -3.306 365 HD2 ARG 46 1HD ARG 46 12.166 4.945 -4.490 366 HD3 ARG 46 2HD ARG 46 10.751 5.690 -3.745 367 HE ARG 46 HE ARG 46 13.067 4.645 -2.241 368 HH11 ARG 46 1HH1 ARG 46 10.388 6.884 -2.593 369 HH12 ARG 46 2HH1 ARG 46 10.806 7.796 -1.169 370 HH21 ARG 46 1HH2 ARG 46 13.639 5.872 -0.408 371 HH22 ARG 46 2HH2 ARG 46 12.667 7.242 0.050 372 H GLY 47 H GLY 47 10.454 2.225 -7.090 373 HA2 GLY 47 1HA GLY 47 10.018 0.446 -8.791 374 HA3 GLY 47 2HA GLY 47 8.325 0.629 -8.361 375 H ASP 48 H ASP 48 7.147 2.254 -9.194 376 HA ASP 48 HA ASP 48 8.226 4.390 -10.753 377 HB2 ASP 48 1HB ASP 48 8.633 2.305 -12.166 378 HB3 ASP 48 2HB ASP 48 6.886 2.151 -12.291 379 H ARG 49 H ARG 49 5.760 3.970 -12.580 380 HA ARG 49 HA ARG 49 4.024 5.717 -11.294 381 HB2 ARG 49 1HB ARG 49 3.536 3.762 -13.536 382 HB3 ARG 49 2HB ARG 49 2.364 4.970 -13.030 383 HG2 ARG 49 1HG ARG 49 3.851 6.750 -13.629 384 HG3 ARG 49 2HG ARG 49 5.148 5.603 -13.971 385 HD2 ARG 49 1HD ARG 49 3.934 4.694 -15.827 386 HD3 ARG 49 2HD ARG 49 2.511 5.652 -15.422 387 HE ARG 49 HE ARG 49 3.755 7.627 -16.072 388 HH11 ARG 49 1HH1 ARG 49 5.179 4.565 -16.987 389 HH12 ARG 49 2HH1 ARG 49 6.055 5.225 -18.334 390 HH21 ARG 49 1HH2 ARG 49 4.890 8.507 -17.852 391 HH22 ARG 49 2HH2 ARG 49 5.892 7.465 -18.823 392 H ALA 50 H ALA 50 4.041 2.178 -11.289 393 HA ALA 50 HA ALA 50 1.503 1.767 -10.173 394 HB1 ALA 50 3HB ALA 50 2.324 -0.411 -9.461 395 HB2 ALA 50 1HB ALA 50 3.984 0.110 -9.744 396 HB3 ALA 50 2HB ALA 50 2.865 -0.044 -11.099 397 H HIS 51 H HIS 51 4.595 2.511 -8.653 398 HA HIS 51 HA HIS 51 3.742 2.291 -5.969 399 HB2 HIS 51 1HB HIS 51 6.113 2.395 -6.531 400 HB3 HIS 51 2HB HIS 51 5.911 4.007 -7.205 401 HD1 HIS 51 HD1 HIS 51 6.003 2.186 -3.906 402 HD2 HIS 51 HD2 HIS 51 6.019 6.076 -5.374 403 HE1 HIS 51 HE1 HIS 51 6.526 3.654 -1.930 404 HE2 HIS 51 HE2 HIS 51 6.430 6.016 -2.816 405 H GLU 52 H GLU 52 3.788 4.989 -8.266 406 HA GLU 52 HA GLU 52 2.780 6.927 -6.468 407 HB2 GLU 52 1HB GLU 52 2.673 6.801 -9.484 408 HB3 GLU 52 2HB GLU 52 2.194 8.204 -8.537 409 HG2 GLU 52 1HG GLU 52 4.490 8.285 -7.600 410 HG3 GLU 52 2HG GLU 52 4.936 6.978 -8.696 411 H GLN 53 H GLN 53 1.217 4.655 -8.666 412 HA GLN 53 HA GLN 53 -1.417 5.573 -8.431 413 HB2 GLN 53 1HB GLN 53 -0.334 2.789 -8.873 414 HB3 GLN 53 2HB GLN 53 -2.043 3.187 -8.965 415 HG2 GLN 53 1HG GLN 53 -1.633 4.696 -10.806 416 HG3 GLN 53 2HG GLN 53 0.103 4.416 -10.676 417 HE21 GLN 53 2HE2 GLN 53 -1.747 3.967 -12.909 418 HE22 GLN 53 1HE2 GLN 53 -1.573 2.296 -13.334 419 H ALA 54 H ALA 54 0.473 3.406 -6.388 420 HA ALA 54 HA ALA 54 -1.544 2.591 -4.638 421 HB1 ALA 54 3HB ALA 54 0.697 1.598 -4.669 422 HB2 ALA 54 1HB ALA 54 0.234 2.110 -3.045 423 HB3 ALA 54 2HB ALA 54 1.361 3.083 -3.989 424 H LEU 55 H LEU 55 0.710 5.350 -4.346 425 HA LEU 55 HA LEU 55 -0.474 6.423 -2.012 426 HB2 LEU 55 1HB LEU 55 1.243 7.628 -4.163 427 HB3 LEU 55 2HB LEU 55 0.577 8.621 -2.884 428 HG LEU 55 HG LEU 55 1.727 7.055 -1.246 429 HD11 LEU 55 1HD1 LEU 55 2.142 5.186 -2.729 430 HD12 LEU 55 2HD1 LEU 55 3.662 5.821 -2.100 431 HD13 LEU 55 3HD1 LEU 55 3.165 6.195 -3.750 432 HD21 LEU 55 3HD2 LEU 55 2.538 9.292 -1.715 433 HD22 LEU 55 1HD2 LEU 55 3.410 8.699 -3.130 434 HD23 LEU 55 2HD2 LEU 55 3.888 8.176 -1.514 435 H ARG 56 H ARG 56 -1.069 6.948 -5.425 436 HA ARG 56 HA ARG 56 -2.757 9.162 -5.308 437 HB2 ARG 56 1HB ARG 56 -1.727 8.111 -7.348 438 HB3 ARG 56 2HB ARG 56 -2.955 6.858 -7.248 439 HG2 ARG 56 1HG ARG 56 -4.692 8.590 -7.509 440 HG3 ARG 56 2HG ARG 56 -3.416 9.794 -7.709 441 HD2 ARG 56 1HD ARG 56 -2.547 8.353 -9.602 442 HD3 ARG 56 2HD ARG 56 -4.060 7.457 -9.488 443 HE ARG 56 HE ARG 56 -4.234 10.348 -9.847 444 HH11 ARG 56 1HH1 ARG 56 -4.507 7.137 -11.211 445 HH12 ARG 56 2HH1 ARG 56 -5.296 7.669 -12.665 446 HH21 ARG 56 1HH2 ARG 56 -5.247 11.072 -11.777 447 HH22 ARG 56 2HH2 ARG 56 -5.686 9.912 -13.001 448 H LEU 57 H LEU 57 -3.591 5.704 -5.331 449 HA LEU 57 HA LEU 57 -6.384 6.160 -5.144 450 HB2 LEU 57 1HB LEU 57 -4.760 3.689 -4.559 451 HB3 LEU 57 2HB LEU 57 -6.512 3.733 -4.639 452 HG LEU 57 HG LEU 57 -4.641 4.365 -6.923 453 HD11 LEU 57 1HD1 LEU 57 -5.485 2.293 -7.894 454 HD12 LEU 57 2HD1 LEU 57 -6.406 1.979 -6.423 455 HD13 LEU 57 3HD1 LEU 57 -4.642 2.004 -6.373 456 HD21 LEU 57 3HD2 LEU 57 -6.700 5.657 -7.044 457 HD22 LEU 57 1HD2 LEU 57 -7.650 4.187 -6.834 458 HD23 LEU 57 2HD2 LEU 57 -6.673 4.406 -8.286 459 H CYS 58 H CYS 58 -3.868 5.607 -2.731 460 HA CYS 58 HA CYS 58 -5.593 5.342 -0.512 461 HB2 CYS 58 1HB CYS 58 -2.776 6.440 -0.649 462 HB3 CYS 58 2HB CYS 58 -3.620 6.028 0.840 463 HG CYS 58 HG CYS 58 -2.397 3.938 -1.550 464 H ARG 59 H ARG 59 -4.253 8.125 -2.183 465 HA ARG 59 HA ARG 59 -5.174 10.122 -0.411 466 HB2 ARG 59 1HB ARG 59 -3.482 10.533 -2.149 467 HB3 ARG 59 2HB ARG 59 -4.691 10.261 -3.395 468 HG2 ARG 59 1HG ARG 59 -5.964 12.196 -2.473 469 HG3 ARG 59 2HG ARG 59 -4.596 12.512 -1.406 470 HD2 ARG 59 1HD ARG 59 -4.519 13.912 -3.411 471 HD3 ARG 59 2HD ARG 59 -3.141 12.815 -3.334 472 HE ARG 59 HE ARG 59 -3.888 11.767 -5.234 473 HH11 ARG 59 1HH1 ARG 59 -6.415 13.869 -3.993 474 HH12 ARG 59 2HH1 ARG 59 -7.428 13.667 -5.396 475 HH21 ARG 59 1HH2 ARG 59 -5.231 11.540 -7.086 476 HH22 ARG 59 2HH2 ARG 59 -6.766 12.359 -7.135 477 H ALA 60 H ALA 60 -6.615 8.566 -3.238 478 HA ALA 60 HA ALA 60 -8.994 10.116 -3.265 479 HB1 ALA 60 3HB ALA 60 -9.850 8.412 -4.789 480 HB2 ALA 60 1HB ALA 60 -8.492 7.361 -4.388 481 HB3 ALA 60 2HB ALA 60 -8.209 8.886 -5.226 482 H SER 61 H SER 61 -8.012 7.199 -1.595 483 HA SER 61 HA SER 61 -10.545 6.377 -0.683 484 HB2 SER 61 1HB SER 61 -7.839 6.012 0.629 485 HB3 SER 61 2HB SER 61 -9.301 5.106 1.019 486 HG SER 61 HG SER 61 -7.908 5.121 -1.460 487 H LEU 62 H LEU 62 -8.300 8.814 0.444 488 HA LEU 62 HA LEU 62 -9.424 9.298 2.985 489 HB2 LEU 62 1HB LEU 62 -7.983 11.192 1.123 490 HB3 LEU 62 2HB LEU 62 -8.327 11.515 2.811 491 HG LEU 62 HG LEU 62 -6.581 9.255 1.830 492 HD11 LEU 62 1HD1 LEU 62 -5.824 11.937 2.987 493 HD12 LEU 62 2HD1 LEU 62 -5.566 11.408 1.324 494 HD13 LEU 62 3HD1 LEU 62 -4.710 10.613 2.646 495 HD21 LEU 62 3HD2 LEU 62 -7.049 10.370 4.596 496 HD22 LEU 62 1HD2 LEU 62 -5.898 9.102 4.174 497 HD23 LEU 62 2HD2 LEU 62 -7.629 8.817 3.991 498 H MET 63 H MET 63 -10.404 10.192 -0.216 499 HA MET 63 HA MET 63 -12.260 12.231 0.667 500 HB2 MET 63 1HB MET 63 -11.783 10.940 -2.023 501 HB3 MET 63 2HB MET 63 -12.999 12.178 -1.743 502 HG2 MET 63 1HG MET 63 -11.283 13.761 -1.107 503 HG3 MET 63 2HG MET 63 -10.045 12.521 -1.293 504 HE1 MET 63 3HE MET 63 -10.151 15.476 -2.706 505 HE2 MET 63 1HE MET 63 -9.486 15.057 -4.284 506 HE3 MET 63 2HE MET 63 -8.783 14.370 -2.821 507 H GLY 64 H GLY 64 -12.239 8.849 0.352 508 HA2 GLY 64 1HA GLY 64 -13.920 7.364 0.978 509 HA3 GLY 64 2HA GLY 64 -15.055 8.706 1.018 510 H ASP 65 H ASP 65 -12.996 8.052 -1.731 511 HA ASP 65 HA ASP 65 -15.394 7.287 -3.254 512 HB2 ASP 65 1HB ASP 65 -12.949 8.845 -3.997 513 HB3 ASP 65 2HB ASP 65 -13.820 7.959 -5.246 514 H VAL 66 H VAL 66 -13.003 5.820 -1.755 515 HA VAL 66 HA VAL 66 -12.895 3.661 -3.741 516 HB VAL 66 HB VAL 66 -10.554 4.542 -2.030 517 HG11 VAL 66 1HG1 VAL 66 -10.764 2.311 -4.049 518 HG12 VAL 66 2HG1 VAL 66 -10.613 2.128 -2.301 519 HG13 VAL 66 3HG1 VAL 66 -9.287 2.823 -3.234 520 HG21 VAL 66 3HG2 VAL 66 -10.903 6.051 -3.910 521 HG22 VAL 66 1HG2 VAL 66 -10.927 4.680 -5.020 522 HG23 VAL 66 2HG2 VAL 66 -9.449 5.082 -4.147 523 H ALA 67 H ALA 67 -13.255 1.654 -2.893 524 HA ALA 67 HA ALA 67 -13.978 1.553 -0.071 525 HB1 ALA 67 3HB ALA 67 -14.404 -0.492 -2.244 526 HB2 ALA 67 1HB ALA 67 -15.587 0.698 -1.700 527 HB3 ALA 67 2HB ALA 67 -15.043 -0.571 -0.602 528 H GLY 68 H GLY 68 -13.482 -0.637 1.011 529 HA2 GLY 68 1HA GLY 68 -10.744 -0.598 1.546 530 HA3 GLY 68 2HA GLY 68 -11.861 -1.844 2.074 531 H GLU 69 H GLU 69 -12.552 -3.241 -0.047 532 HA GLU 69 HA GLU 69 -10.177 -4.721 -0.554 533 HB2 GLU 69 1HB GLU 69 -12.934 -5.008 -1.759 534 HB3 GLU 69 2HB GLU 69 -11.633 -6.178 -1.921 535 HG2 GLU 69 1HG GLU 69 -12.862 -5.342 0.696 536 HG3 GLU 69 2HG GLU 69 -13.318 -6.779 -0.215 537 H ILE 70 H ILE 70 -11.924 -2.286 -2.312 538 HA ILE 70 HA ILE 70 -10.874 -2.739 -4.886 539 HB ILE 70 HB ILE 70 -11.707 -0.122 -3.619 540 HG12 ILE 70 1HG1 ILE 70 -13.224 -2.071 -5.371 541 HG13 ILE 70 2HG1 ILE 70 -13.502 -1.793 -3.656 542 HG21 ILE 70 1HG2 ILE 70 -11.957 0.696 -5.916 543 HG22 ILE 70 2HG2 ILE 70 -11.303 -0.824 -6.525 544 HG23 ILE 70 3HG2 ILE 70 -10.288 0.251 -5.562 545 HD11 ILE 70 3HD1 ILE 70 -14.177 0.507 -4.146 546 HD12 ILE 70 1HD1 ILE 70 -15.174 -0.670 -5.001 547 HD13 ILE 70 2HD1 ILE 70 -13.913 0.211 -5.865 548 H ALA 71 H ALA 71 -9.825 -0.405 -2.392 549 HA ALA 71 HA ALA 71 -7.421 0.321 -3.678 550 HB1 ALA 71 3HB ALA 71 -8.467 1.652 -1.887 551 HB2 ALA 71 1HB ALA 71 -6.772 1.297 -1.552 552 HB3 ALA 71 2HB ALA 71 -8.041 0.396 -0.724 553 H ARG 72 H ARG 72 -8.249 -2.197 -1.398 554 HA ARG 72 HA ARG 72 -5.719 -3.100 -0.666 555 HB2 ARG 72 1HB ARG 72 -7.781 -3.811 0.417 556 HB3 ARG 72 2HB ARG 72 -8.289 -4.636 -1.047 557 HG2 ARG 72 1HG ARG 72 -6.384 -6.177 -0.809 558 HG3 ARG 72 2HG ARG 72 -5.955 -5.371 0.706 559 HD2 ARG 72 1HD ARG 72 -8.172 -5.914 1.602 560 HD3 ARG 72 2HD ARG 72 -8.565 -6.749 0.103 561 HE ARG 72 HE ARG 72 -6.305 -7.992 0.977 562 HH11 ARG 72 1HH1 ARG 72 -9.459 -7.300 2.324 563 HH12 ARG 72 2HH1 ARG 72 -9.456 -8.702 3.358 564 HH21 ARG 72 1HH2 ARG 72 -6.310 -9.847 2.318 565 HH22 ARG 72 2HH2 ARG 72 -7.679 -10.143 3.356 566 H THR 73 H THR 73 -7.802 -4.207 -3.337 567 HA THR 73 HA THR 73 -6.057 -6.175 -4.318 568 HB THR 73 HB THR 73 -8.060 -4.577 -5.932 569 HG1 THR 73 HG1 THR 73 -9.092 -5.493 -4.127 570 HG21 THR 73 3HG2 THR 73 -6.948 -7.363 -6.315 571 HG22 THR 73 1HG2 THR 73 -6.561 -5.950 -7.295 572 HG23 THR 73 2HG2 THR 73 -8.196 -6.609 -7.306 573 H ALA 74 H ALA 74 -6.400 -2.744 -5.130 574 HA ALA 74 HA ALA 74 -4.478 -2.791 -7.234 575 HB1 ALA 74 3HB ALA 74 -5.518 -0.460 -5.631 576 HB2 ALA 74 1HB ALA 74 -6.223 -1.090 -7.119 577 HB3 ALA 74 2HB ALA 74 -4.619 -0.357 -7.144 578 H PHE 75 H PHE 75 -4.342 -2.229 -3.781 579 HA PHE 75 HA PHE 75 -1.720 -1.200 -3.637 580 HB2 PHE 75 1HB PHE 75 -3.572 -1.327 -1.822 581 HB3 PHE 75 2HB PHE 75 -2.946 -2.941 -1.508 582 HD1 PHE 75 HD2 PHE 75 -2.254 0.643 -1.335 583 HD2 PHE 75 HD1 PHE 75 -0.805 -3.257 -0.443 584 HE1 PHE 75 HE2 PHE 75 -0.544 1.620 0.137 585 HE2 PHE 75 HE1 PHE 75 0.908 -2.283 1.034 586 HZ PHE 75 HZ PHE 75 1.041 0.156 1.322 587 H VAL 76 H VAL 76 -3.030 -4.466 -3.696 588 HA VAL 76 HA VAL 76 -0.600 -5.848 -3.275 589 HB VAL 76 HB VAL 76 -3.080 -6.747 -4.763 590 HG11 VAL 76 1HG1 VAL 76 -2.275 -9.021 -4.383 591 HG12 VAL 76 2HG1 VAL 76 -0.803 -8.384 -3.650 592 HG13 VAL 76 3HG1 VAL 76 -1.130 -8.100 -5.360 593 HG21 VAL 76 3HG2 VAL 76 -3.633 -7.902 -2.670 594 HG22 VAL 76 1HG2 VAL 76 -3.536 -6.155 -2.447 595 HG23 VAL 76 2HG2 VAL 76 -2.212 -7.188 -1.907 596 H ALA 77 H ALA 77 -2.197 -4.592 -6.159 597 HA ALA 77 HA ALA 77 -0.454 -5.715 -8.072 598 HB1 ALA 77 3HB ALA 77 -2.030 -3.148 -8.240 599 HB2 ALA 77 1HB ALA 77 -2.620 -4.753 -8.671 600 HB3 ALA 77 2HB ALA 77 -1.314 -4.014 -9.598 601 H ALA 78 H ALA 78 -0.319 -2.733 -6.194 602 HA ALA 78 HA ALA 78 2.032 -1.712 -7.435 603 HB1 ALA 78 3HB ALA 78 0.492 -0.286 -6.173 604 HB2 ALA 78 1HB ALA 78 2.134 -0.183 -5.538 605 HB3 ALA 78 2HB ALA 78 0.919 -1.138 -4.689 606 H SER 79 H SER 79 1.410 -3.660 -4.550 607 HA SER 79 HA SER 79 4.090 -3.875 -3.687 608 HB2 SER 79 1HB SER 79 2.121 -4.423 -2.274 609 HB3 SER 79 2HB SER 79 1.818 -5.842 -3.279 610 HG SER 79 HG SER 79 3.380 -5.686 -1.183 611 H ARG 80 H ARG 80 2.261 -5.471 -6.148 612 HA ARG 80 HA ARG 80 3.878 -7.719 -6.603 613 HB2 ARG 80 1HB ARG 80 1.709 -7.622 -7.585 614 HB3 ARG 80 2HB ARG 80 2.072 -6.111 -8.403 615 HG2 ARG 80 1HG ARG 80 3.626 -7.248 -9.874 616 HG3 ARG 80 2HG ARG 80 3.344 -8.769 -9.022 617 HD2 ARG 80 1HD ARG 80 1.092 -8.861 -9.747 618 HD3 ARG 80 2HD ARG 80 1.138 -7.198 -10.329 619 HE ARG 80 HE ARG 80 2.999 -8.307 -11.868 620 HH11 ARG 80 1HH1 ARG 80 -0.183 -9.481 -10.995 621 HH12 ARG 80 2HH1 ARG 80 -0.450 -10.290 -12.507 622 HH21 ARG 80 1HH2 ARG 80 2.654 -9.365 -13.868 623 HH22 ARG 80 2HH2 ARG 80 1.163 -10.217 -14.148 624 H GLN 81 H GLN 81 4.022 -4.427 -7.906 625 HA GLN 81 HA GLN 81 6.211 -4.839 -9.638 626 HB2 GLN 81 1HB GLN 81 4.801 -2.877 -9.857 627 HB3 GLN 81 2HB GLN 81 5.233 -2.340 -8.241 628 HG2 GLN 81 1HG GLN 81 7.479 -1.880 -8.923 629 HG3 GLN 81 2HG GLN 81 7.197 -2.607 -10.504 630 HE21 GLN 81 2HE2 GLN 81 6.017 -1.498 -12.036 631 HE22 GLN 81 1HE2 GLN 81 5.668 0.198 -11.900 632 H ALA 82 H ALA 82 5.966 -3.941 -6.250 633 HA ALA 82 HA ALA 82 8.773 -3.550 -5.861 634 HB1 ALA 82 3HB ALA 82 7.097 -2.464 -4.446 635 HB2 ALA 82 1HB ALA 82 8.213 -3.441 -3.492 636 HB3 ALA 82 2HB ALA 82 6.590 -4.040 -3.838 637 H HIS 83 H HIS 83 6.842 -6.279 -6.215 638 HA HIS 83 HA HIS 83 7.114 -8.514 -5.927 639 HB2 HIS 83 1HB HIS 83 10.026 -7.872 -5.393 640 HB3 HIS 83 2HB HIS 83 9.367 -9.442 -5.832 641 HD1 HIS 83 HD1 HIS 83 11.497 -7.425 -7.349 642 HD2 HIS 83 HD2 HIS 83 7.642 -8.496 -8.479 643 HE1 HIS 83 HE1 HIS 83 11.380 -7.025 -9.832 644 HE2 HIS 83 HE2 HIS 83 8.990 -7.516 -10.463 645 H CYS 84 H CYS 84 6.459 -6.771 -3.702 646 HA CYS 84 HA CYS 84 7.676 -8.154 -1.404 647 HB2 CYS 84 1HB CYS 84 7.738 -5.590 -1.660 648 HB3 CYS 84 2HB CYS 84 6.016 -5.633 -1.309 649 HG CYS 84 HG CYS 84 6.741 -7.166 1.172 650 H LEU 85 H LEU 85 5.635 -9.261 -3.111 651 HA LEU 85 HA LEU 85 3.027 -8.936 -2.163 652 HB2 LEU 85 1HB LEU 85 4.331 -11.256 -3.574 653 HB3 LEU 85 2HB LEU 85 2.608 -11.139 -3.279 654 HG LEU 85 HG LEU 85 4.200 -9.170 -4.921 655 HD11 LEU 85 1HD1 LEU 85 2.351 -11.386 -5.803 656 HD12 LEU 85 2HD1 LEU 85 4.103 -11.363 -5.999 657 HD13 LEU 85 3HD1 LEU 85 3.105 -10.187 -6.854 658 HD21 LEU 85 3HD2 LEU 85 1.231 -9.503 -4.513 659 HD22 LEU 85 1HD2 LEU 85 2.002 -8.354 -5.606 660 HD23 LEU 85 2HD2 LEU 85 2.228 -8.200 -3.863 661 H MET 86 H MET 86 1.839 -9.900 -0.631 662 HA MET 86 HA MET 86 3.079 -11.264 1.524 663 HB2 MET 86 1HB MET 86 1.126 -9.939 1.967 664 HB3 MET 86 2HB MET 86 0.181 -10.834 0.785 665 HG2 MET 86 1HG MET 86 0.446 -12.860 2.212 666 HG3 MET 86 2HG MET 86 1.213 -11.840 3.427 667 HE1 MET 86 3HE MET 86 -0.627 -12.755 5.188 668 HE2 MET 86 1HE MET 86 -1.361 -13.713 3.903 669 HE3 MET 86 2HE MET 86 -2.362 -12.656 4.896 670 H GLU 87 H GLU 87 3.589 -13.354 1.658 671 HA GLU 87 HA GLU 87 2.764 -15.255 -0.295 672 HB2 GLU 87 1HB GLU 87 4.082 -15.709 2.394 673 HB3 GLU 87 2HB GLU 87 3.986 -16.876 1.079 674 HG2 GLU 87 1HG GLU 87 5.323 -15.387 -0.336 675 HG3 GLU 87 2HG GLU 87 5.428 -14.232 0.989 676 H ASP 88 H ASP 88 0.876 -16.213 -0.393 677 HA ASP 88 HA ASP 88 -1.195 -15.688 1.406 678 HB2 ASP 88 1HB ASP 88 -1.606 -16.187 -0.938 679 HB3 ASP 88 2HB ASP 88 -0.991 -17.822 -0.726 680 H LYS 89 H LYS 89 -2.199 -16.826 2.981 681 HA LYS 89 HA LYS 89 -0.828 -19.244 3.959 682 HB2 LYS 89 1HB LYS 89 -2.094 -16.950 5.436 683 HB3 LYS 89 2HB LYS 89 -1.857 -18.509 6.210 684 HG2 LYS 89 1HG LYS 89 0.524 -18.346 5.924 685 HG3 LYS 89 2HG LYS 89 0.344 -16.858 4.988 686 HD2 LYS 89 1HD LYS 89 -0.457 -15.667 6.885 687 HD3 LYS 89 2HD LYS 89 -0.621 -17.150 7.824 688 HE2 LYS 89 1HE LYS 89 2.001 -16.074 6.803 689 HE3 LYS 89 2HE LYS 89 1.365 -15.761 8.416 690 HZ1 LYS 89 3HZ LYS 89 2.897 -17.579 8.513 691 HZ2 LYS 89 1HZ LYS 89 2.081 -18.416 7.282 692 HZ3 LYS 89 2HZ LYS 89 1.337 -18.184 8.786 693 H ALA 90 H ALA 90 -2.258 -20.656 5.321 694 HA ALA 90 HA ALA 90 -4.997 -20.707 4.229 695 HB1 ALA 90 3HB ALA 90 -3.282 -23.052 5.047 696 HB2 ALA 90 1HB ALA 90 -3.619 -22.555 3.388 697 HB3 ALA 90 2HB ALA 90 -4.926 -23.138 4.417 698 H GLU 91 H GLU 91 -6.630 -20.721 5.670 699 HA GLU 91 HA GLU 91 -5.968 -20.569 8.490 700 HB2 GLU 91 1HB GLU 91 -8.606 -20.316 7.033 701 HB3 GLU 91 2HB GLU 91 -8.399 -20.093 8.766 702 HG2 GLU 91 1HG GLU 91 -6.820 -18.246 8.294 703 HG3 GLU 91 2HG GLU 91 -7.172 -18.436 6.577 704 H ALA 92 H ALA 92 -6.336 -22.093 9.985 705 HA ALA 92 HA ALA 92 -6.482 -24.193 10.828 706 HB1 ALA 92 3HB ALA 92 -8.903 -24.403 9.039 707 HB2 ALA 92 1HB ALA 92 -8.883 -23.713 10.661 708 HB3 ALA 92 2HB ALA 92 -8.539 -25.426 10.428 709 HA PRO 93 HA PRO 93 -4.581 -26.060 7.064 710 HB2 PRO 93 1HB PRO 93 -2.010 -25.971 7.781 711 HB3 PRO 93 2HB PRO 93 -2.848 -24.534 7.186 712 HG2 PRO 93 1HG PRO 93 -2.105 -25.277 9.975 713 HG3 PRO 93 2HG PRO 93 -2.137 -23.681 9.206 714 HD2 PRO 93 1HD PRO 93 -4.126 -24.760 10.865 715 HD3 PRO 93 2HD PRO 93 -4.298 -23.341 9.814 716 H ASN 94 H ASN 94 -4.704 -26.932 10.362 717 HA ASN 94 HA ASN 94 -3.548 -29.575 9.765 718 HB2 ASN 94 1HB ASN 94 -3.735 -28.046 12.352 719 HB3 ASN 94 2HB ASN 94 -3.436 -29.779 12.320 720 HD21 ASN 94 2HD2 ASN 94 -1.890 -29.597 9.838 721 HD22 ASN 94 1HD2 ASN 94 -0.348 -28.949 10.289 722 H THR 95 H THR 95 -5.215 -30.731 9.051 723 HA THR 95 HA THR 95 -7.660 -30.785 10.693 724 HB THR 95 HB THR 95 -8.758 -31.696 8.614 725 HG1 THR 95 HG1 THR 95 -6.954 -32.379 7.445 726 HG21 THR 95 3HG2 THR 95 -9.021 -29.356 9.242 727 HG22 THR 95 1HG2 THR 95 -8.900 -29.508 7.490 728 HG23 THR 95 2HG2 THR 95 -7.512 -28.949 8.424 729 H ILE 96 H ILE 96 -8.843 -33.048 10.008 730 HA ILE 96 HA ILE 96 -6.857 -35.193 10.346 731 HB ILE 96 HB ILE 96 -7.905 -34.643 12.535 732 HG12 ILE 96 1HG1 ILE 96 -8.748 -37.348 11.475 733 HG13 ILE 96 2HG1 ILE 96 -7.116 -36.940 11.995 734 HG21 ILE 96 1HG2 ILE 96 -10.466 -35.515 11.207 735 HG22 ILE 96 2HG2 ILE 96 -10.071 -33.882 11.746 736 HG23 ILE 96 3HG2 ILE 96 -10.257 -35.180 12.926 737 HD11 ILE 96 3HD1 ILE 96 -8.331 -38.154 13.715 738 HD12 ILE 96 1HD1 ILE 96 -9.572 -36.902 13.730 739 HD13 ILE 96 2HD1 ILE 96 -7.929 -36.521 14.246 740 H ALA 97 H ALA 97 -7.613 -37.297 9.575 741 HA ALA 97 HA ALA 97 -9.061 -36.963 7.117 742 HB1 ALA 97 3HB ALA 97 -7.934 -39.468 8.359 743 HB2 ALA 97 1HB ALA 97 -7.093 -38.408 7.228 744 HB3 ALA 97 2HB ALA 97 -8.519 -39.305 6.704 745 H SER 98 H SER 98 -9.657 -38.561 10.216 746 HA SER 98 HA SER 98 -12.224 -39.552 9.348 747 HB2 SER 98 1HB SER 98 -12.427 -40.183 11.807 748 HB3 SER 98 2HB SER 98 -11.088 -40.923 10.928 749 HG SER 98 HG SER 98 -11.065 -38.970 12.931 750 H GLY 99 H GLY 99 -13.698 -38.020 8.920 751 HA2 GLY 99 1HA GLY 99 -14.390 -36.199 11.125 752 HA3 GLY 99 2HA GLY 99 -14.156 -35.543 9.512 753 H SER 100 H SER 100 -15.564 -36.340 7.806 754 HA SER 100 HA SER 100 -18.101 -37.440 8.781 755 HB2 SER 100 1HB SER 100 -17.799 -35.108 6.869 756 HB3 SER 100 2HB SER 100 -19.324 -35.865 7.330 757 HG SER 100 HG SER 100 -19.050 -35.146 9.418 Start of MODEL 2 1 H1 MET 1 1H MET 1 9.321 18.160 4.509 2 H2 MET 1 2H MET 1 9.229 16.655 5.283 3 H3 MET 1 3H MET 1 9.162 18.083 6.196 4 HA MET 1 HA MET 1 7.073 18.680 5.163 5 HB2 MET 1 1HB MET 1 7.391 15.988 3.818 6 HB3 MET 1 2HB MET 1 5.899 16.921 3.826 7 HG2 MET 1 1HG MET 1 6.965 18.703 2.596 8 HG3 MET 1 2HG MET 1 8.511 17.858 2.660 9 HE1 MET 1 3HE MET 1 4.933 16.332 2.081 10 HE2 MET 1 1HE MET 1 4.840 16.314 0.321 11 HE3 MET 1 2HE MET 1 4.858 17.851 1.187 12 H GLU 2 H GLU 2 5.532 18.471 6.653 13 HA GLU 2 HA GLU 2 5.875 16.458 8.689 14 HB2 GLU 2 1HB GLU 2 4.148 18.885 8.413 15 HB3 GLU 2 2HB GLU 2 3.764 17.681 9.633 16 HG2 GLU 2 1HG GLU 2 5.104 19.545 10.506 17 HG3 GLU 2 2HG GLU 2 5.905 17.985 10.683 18 H VAL 3 H VAL 3 5.411 14.698 7.173 19 HA VAL 3 HA VAL 3 2.560 14.223 6.785 20 HB VAL 3 HB VAL 3 3.368 12.030 5.758 21 HG11 VAL 3 1HG1 VAL 3 4.213 14.650 4.518 22 HG12 VAL 3 2HG1 VAL 3 2.620 13.903 4.407 23 HG13 VAL 3 3HG1 VAL 3 4.010 13.130 3.645 24 HG21 VAL 3 3HG2 VAL 3 6.026 13.461 5.907 25 HG22 VAL 3 1HG2 VAL 3 5.704 11.994 4.983 26 HG23 VAL 3 2HG2 VAL 3 5.601 11.968 6.744 27 H GLN 4 H GLN 4 2.186 14.278 9.051 28 HA GLN 4 HA GLN 4 3.502 12.474 10.828 29 HB2 GLN 4 1HB GLN 4 0.982 14.078 11.279 30 HB3 GLN 4 2HB GLN 4 2.007 13.368 12.518 31 HG2 GLN 4 1HG GLN 4 3.819 14.858 11.911 32 HG3 GLN 4 2HG GLN 4 2.845 15.535 10.604 33 HE21 GLN 4 2HE2 GLN 4 4.030 16.878 12.905 34 HE22 GLN 4 1HE2 GLN 4 2.715 17.629 13.741 35 H SER 5 H SER 5 2.797 10.598 11.704 36 HA SER 5 HA SER 5 0.742 9.116 10.391 37 HB2 SER 5 1HB SER 5 2.054 8.458 13.034 38 HB3 SER 5 2HB SER 5 1.329 7.337 11.882 39 HG SER 5 HG SER 5 3.017 8.158 10.375 40 H MET 6 H MET 6 -1.292 9.852 10.657 41 HA MET 6 HA MET 6 -2.171 10.757 13.289 42 HB2 MET 6 1HB MET 6 -3.510 10.877 10.582 43 HB3 MET 6 2HB MET 6 -4.233 11.469 12.071 44 HG2 MET 6 1HG MET 6 -2.459 13.096 12.320 45 HG3 MET 6 2HG MET 6 -1.659 12.472 10.880 46 HE1 MET 6 3HE MET 6 -3.007 16.022 9.810 47 HE2 MET 6 1HE MET 6 -1.576 15.004 9.962 48 HE3 MET 6 2HE MET 6 -2.423 15.553 11.407 49 H LEU 7 H LEU 7 -3.545 9.671 14.542 50 HA LEU 7 HA LEU 7 -4.079 6.913 13.874 51 HB2 LEU 7 1HB LEU 7 -4.869 8.509 16.315 52 HB3 LEU 7 2HB LEU 7 -4.970 6.767 16.152 53 HG LEU 7 HG LEU 7 -2.415 8.378 16.146 54 HD11 LEU 7 1HD1 LEU 7 -2.008 7.328 18.313 55 HD12 LEU 7 2HD1 LEU 7 -3.593 6.556 18.240 56 HD13 LEU 7 3HD1 LEU 7 -3.471 8.314 18.342 57 HD21 LEU 7 3HD2 LEU 7 -1.302 6.204 16.238 58 HD22 LEU 7 1HD2 LEU 7 -2.250 6.376 14.761 59 HD23 LEU 7 2HD2 LEU 7 -2.863 5.395 16.093 60 H LEU 8 H LEU 8 -5.761 9.910 13.837 61 HA LEU 8 HA LEU 8 -8.400 8.767 13.832 62 HB2 LEU 8 1HB LEU 8 -7.469 11.544 13.092 63 HB3 LEU 8 2HB LEU 8 -9.140 11.052 13.289 64 HG LEU 8 HG LEU 8 -7.057 11.089 15.476 65 HD11 LEU 8 1HD1 LEU 8 -8.352 12.952 16.378 66 HD12 LEU 8 2HD1 LEU 8 -9.418 12.896 14.974 67 HD13 LEU 8 3HD1 LEU 8 -7.721 13.329 14.775 68 HD21 LEU 8 3HD2 LEU 8 -10.011 10.478 15.584 69 HD22 LEU 8 1HD2 LEU 8 -8.937 10.626 16.976 70 HD23 LEU 8 2HD2 LEU 8 -8.701 9.320 15.815 71 H ASN 9 H ASN 9 -8.635 7.369 12.155 72 HA ASN 9 HA ASN 9 -8.070 8.366 9.446 73 HB2 ASN 9 1HB ASN 9 -8.388 5.575 10.547 74 HB3 ASN 9 2HB ASN 9 -8.467 5.904 8.821 75 HD21 ASN 9 2HD2 ASN 9 -6.357 7.608 11.040 76 HD22 ASN 9 1HD2 ASN 9 -4.878 6.950 10.434 77 H ASP 10 H ASP 10 -9.729 9.036 8.254 78 HA ASP 10 HA ASP 10 -12.413 8.902 8.992 79 HB2 ASP 10 1HB ASP 10 -11.091 9.329 6.320 80 HB3 ASP 10 2HB ASP 10 -12.842 9.307 6.483 81 H VAL 11 H VAL 11 -10.589 6.885 6.748 82 HA VAL 11 HA VAL 11 -12.803 4.957 6.808 83 HB VAL 11 HB VAL 11 -10.705 5.271 4.654 84 HG11 VAL 11 1HG1 VAL 11 -11.512 2.976 4.875 85 HG12 VAL 11 2HG1 VAL 11 -12.097 3.706 3.379 86 HG13 VAL 11 3HG1 VAL 11 -13.179 3.543 4.762 87 HG21 VAL 11 3HG2 VAL 11 -12.535 6.127 3.259 88 HG22 VAL 11 1HG2 VAL 11 -12.233 7.165 4.654 89 HG23 VAL 11 2HG2 VAL 11 -13.615 6.070 4.651 90 H LYS 12 H LYS 12 -12.342 3.412 8.212 91 HA LYS 12 HA LYS 12 -9.648 2.339 8.435 92 HB2 LYS 12 1HB LYS 12 -10.928 2.511 10.500 93 HB3 LYS 12 2HB LYS 12 -12.245 1.577 9.800 94 HG2 LYS 12 1HG LYS 12 -10.665 -0.340 9.580 95 HG3 LYS 12 2HG LYS 12 -9.480 0.607 10.477 96 HD2 LYS 12 1HD LYS 12 -10.870 0.637 12.417 97 HD3 LYS 12 2HD LYS 12 -12.224 -0.065 11.525 98 HE2 LYS 12 1HE LYS 12 -9.581 -1.411 12.084 99 HE3 LYS 12 2HE LYS 12 -11.104 -1.744 12.910 100 HZ1 LYS 12 3HZ LYS 12 -12.039 -2.600 10.917 101 HZ2 LYS 12 1HZ LYS 12 -10.526 -3.335 11.097 102 HZ3 LYS 12 2HZ LYS 12 -10.727 -2.079 9.983 103 H TRP 13 H TRP 13 -9.060 0.284 7.693 104 HA TRP 13 HA TRP 13 -10.639 -0.644 5.473 105 HB2 TRP 13 1HB TRP 13 -7.902 -0.894 6.310 106 HB3 TRP 13 2HB TRP 13 -8.566 -2.492 5.970 107 HD1 TRP 13 HD1 TRP 13 -10.290 -2.137 3.516 108 HE1 TRP 13 HE1 TRP 13 -9.356 -1.339 1.261 109 HE3 TRP 13 HE3 TRP 13 -6.037 0.156 5.177 110 HZ2 TRP 13 HZ2 TRP 13 -7.093 0.071 0.305 111 HZ3 TRP 13 HZ3 TRP 13 -4.539 1.202 3.528 112 HH2 TRP 13 HH2 TRP 13 -5.057 1.159 1.144 113 H GLU 14 H GLU 14 -12.057 -2.218 5.455 114 HA GLU 14 HA GLU 14 -12.687 -3.657 7.867 115 HB2 GLU 14 1HB GLU 14 -13.737 -3.993 5.049 116 HB3 GLU 14 2HB GLU 14 -14.407 -4.767 6.478 117 HG2 GLU 14 1HG GLU 14 -14.967 -2.579 7.403 118 HG3 GLU 14 2HG GLU 14 -14.298 -1.804 5.966 119 H LYS 15 H LYS 15 -11.500 -4.518 4.655 120 HA LYS 15 HA LYS 15 -10.426 -7.020 5.716 121 HB2 LYS 15 1HB LYS 15 -10.543 -5.976 2.872 122 HB3 LYS 15 2HB LYS 15 -9.950 -7.562 3.351 123 HG2 LYS 15 1HG LYS 15 -12.169 -8.140 4.194 124 HG3 LYS 15 2HG LYS 15 -12.762 -6.548 3.721 125 HD2 LYS 15 1HD LYS 15 -12.222 -7.067 1.374 126 HD3 LYS 15 2HD LYS 15 -11.684 -8.675 1.868 127 HE2 LYS 15 1HE LYS 15 -13.926 -9.167 2.712 128 HE3 LYS 15 2HE LYS 15 -14.463 -7.556 2.240 129 HZ1 LYS 15 3HZ LYS 15 -15.143 -9.110 0.585 130 HZ2 LYS 15 1HZ LYS 15 -13.573 -9.739 0.430 131 HZ3 LYS 15 2HZ LYS 15 -13.910 -8.153 -0.081 132 HA PRO 16 HA PRO 16 -6.921 -4.403 6.564 133 HB2 PRO 16 1HB PRO 16 -5.354 -6.372 7.647 134 HB3 PRO 16 2HB PRO 16 -6.635 -5.529 8.525 135 HG2 PRO 16 1HG PRO 16 -6.703 -8.201 7.179 136 HG3 PRO 16 2HG PRO 16 -7.375 -7.721 8.749 137 HD2 PRO 16 1HD PRO 16 -8.922 -7.964 6.570 138 HD3 PRO 16 2HD PRO 16 -9.224 -6.711 7.792 139 H VAL 17 H VAL 17 -4.912 -3.986 5.739 140 HA VAL 17 HA VAL 17 -4.093 -5.658 3.466 141 HB VAL 17 HB VAL 17 -3.238 -2.830 4.113 142 HG11 VAL 17 1HG1 VAL 17 -1.610 -4.035 2.782 143 HG12 VAL 17 2HG1 VAL 17 -2.420 -2.817 1.796 144 HG13 VAL 17 3HG1 VAL 17 -2.867 -4.515 1.642 145 HG21 VAL 17 3HG2 VAL 17 -5.281 -3.799 2.122 146 HG22 VAL 17 1HG2 VAL 17 -4.727 -2.137 2.304 147 HG23 VAL 17 2HG2 VAL 17 -5.622 -2.916 3.608 148 H THR 18 H THR 18 -2.688 -7.151 4.172 149 HA THR 18 HA THR 18 -0.640 -6.413 6.119 150 HB THR 18 HB THR 18 -1.052 -9.133 4.881 151 HG1 THR 18 HG1 THR 18 -2.527 -9.573 6.482 152 HG21 THR 18 3HG2 THR 18 -0.020 -9.907 6.969 153 HG22 THR 18 1HG2 THR 18 0.133 -8.238 7.514 154 HG23 THR 18 2HG2 THR 18 1.038 -8.792 6.106 155 H ILE 19 H ILE 19 1.059 -5.422 5.224 156 HA ILE 19 HA ILE 19 2.064 -6.413 2.649 157 HB ILE 19 HB ILE 19 1.649 -3.964 2.869 158 HG12 ILE 19 1HG1 ILE 19 4.600 -4.514 2.530 159 HG13 ILE 19 2HG1 ILE 19 3.403 -4.988 1.327 160 HG21 ILE 19 1HG2 ILE 19 3.233 -2.602 4.182 161 HG22 ILE 19 2HG2 ILE 19 3.888 -4.084 4.881 162 HG23 ILE 19 3HG2 ILE 19 2.210 -3.629 5.186 163 HD11 ILE 19 3HD1 ILE 19 4.471 -2.898 0.728 164 HD12 ILE 19 1HD1 ILE 19 3.969 -2.185 2.262 165 HD13 ILE 19 2HD1 ILE 19 2.756 -2.647 1.066 166 H SER 20 H SER 20 3.958 -7.481 2.511 167 HA SER 20 HA SER 20 5.358 -7.959 5.033 168 HB2 SER 20 1HB SER 20 6.361 -9.899 3.669 169 HB3 SER 20 2HB SER 20 4.662 -10.012 4.129 170 HG SER 20 HG SER 20 5.105 -10.521 1.893 171 H LEU 21 H LEU 21 7.150 -6.871 5.372 172 HA LEU 21 HA LEU 21 8.625 -5.549 3.348 173 HB2 LEU 21 1HB LEU 21 9.196 -6.216 6.221 174 HB3 LEU 21 2HB LEU 21 10.440 -5.513 5.206 175 HG LEU 21 HG LEU 21 8.946 -3.566 4.789 176 HD11 LEU 21 1HD1 LEU 21 7.210 -4.834 6.902 177 HD12 LEU 21 2HD1 LEU 21 6.790 -4.623 5.200 178 HD13 LEU 21 3HD1 LEU 21 7.012 -3.211 6.235 179 HD21 LEU 21 3HD2 LEU 21 9.240 -2.569 7.005 180 HD22 LEU 21 1HD2 LEU 21 10.670 -3.465 6.490 181 HD23 LEU 21 2HD2 LEU 21 9.567 -4.167 7.673 182 H GLN 22 H GLN 22 11.048 -6.028 3.024 183 HA GLN 22 HA GLN 22 11.026 -8.463 1.579 184 HB2 GLN 22 1HB GLN 22 13.303 -6.566 2.153 185 HB3 GLN 22 2HB GLN 22 13.355 -7.878 0.980 186 HG2 GLN 22 1HG GLN 22 11.548 -6.849 -0.277 187 HG3 GLN 22 2HG GLN 22 11.449 -5.551 0.909 188 HE21 GLN 22 2HE2 GLN 22 12.002 -5.454 -1.965 189 HE22 GLN 22 1HE2 GLN 22 13.521 -4.647 -2.119 190 H ASN 23 H ASN 23 11.960 -7.772 4.790 191 HA ASN 23 HA ASN 23 13.609 -10.171 5.006 192 HB2 ASN 23 1HB ASN 23 12.887 -7.997 6.972 193 HB3 ASN 23 2HB ASN 23 13.764 -9.449 7.441 194 HD21 ASN 23 2HD2 ASN 23 14.573 -6.649 7.501 195 HD22 ASN 23 1HD2 ASN 23 16.034 -6.563 6.559 196 H GLY 24 H GLY 24 10.518 -9.872 4.626 197 HA2 GLY 24 1HA GLY 24 8.782 -11.320 5.088 198 HA3 GLY 24 2HA GLY 24 9.851 -12.204 6.167 199 H ALA 25 H ALA 25 8.825 -8.812 6.187 200 HA ALA 25 HA ALA 25 7.849 -9.246 8.930 201 HB1 ALA 25 3HB ALA 25 8.877 -6.692 7.696 202 HB2 ALA 25 1HB ALA 25 9.765 -7.732 8.809 203 HB3 ALA 25 2HB ALA 25 8.316 -6.890 9.356 204 HA PRO 26 HA PRO 26 3.993 -8.288 6.707 205 HB2 PRO 26 1HB PRO 26 2.707 -9.728 8.879 206 HB3 PRO 26 2HB PRO 26 2.782 -10.145 7.166 207 HG2 PRO 26 1HG PRO 26 4.068 -11.572 9.082 208 HG3 PRO 26 2HG PRO 26 4.674 -11.420 7.422 209 HD2 PRO 26 1HD PRO 26 5.517 -9.935 9.891 210 HD3 PRO 26 2HD PRO 26 6.522 -10.642 8.605 211 H ARG 27 H ARG 27 3.318 -6.262 7.021 212 HA ARG 27 HA ARG 27 2.578 -5.466 9.762 213 HB2 ARG 27 1HB ARG 27 3.563 -3.789 7.452 214 HB3 ARG 27 2HB ARG 27 2.848 -3.102 8.908 215 HG2 ARG 27 1HG ARG 27 4.602 -4.177 10.251 216 HG3 ARG 27 2HG ARG 27 5.331 -4.801 8.771 217 HD2 ARG 27 1HD ARG 27 5.771 -2.557 7.994 218 HD3 ARG 27 2HD ARG 27 4.924 -1.877 9.386 219 HE ARG 27 HE ARG 27 6.883 -3.468 10.460 220 HH11 ARG 27 1HH1 ARG 27 6.856 -0.730 8.273 221 HH12 ARG 27 2HH1 ARG 27 8.419 -0.154 8.775 222 HH21 ARG 27 1HH2 ARG 27 8.909 -2.717 11.118 223 HH22 ARG 27 2HH2 ARG 27 9.586 -1.287 10.399 224 H ILE 28 H ILE 28 0.500 -5.351 10.101 225 HA ILE 28 HA ILE 28 -1.337 -5.411 7.846 226 HB ILE 28 HB ILE 28 -1.875 -5.747 10.803 227 HG12 ILE 28 1HG1 ILE 28 -1.618 -7.827 8.617 228 HG13 ILE 28 2HG1 ILE 28 -0.436 -7.525 9.885 229 HG21 ILE 28 1HG2 ILE 28 -3.639 -6.280 8.417 230 HG22 ILE 28 2HG2 ILE 28 -3.840 -4.982 9.595 231 HG23 ILE 28 3HG2 ILE 28 -4.034 -6.664 10.093 232 HD11 ILE 28 3HD1 ILE 28 -3.250 -8.503 10.304 233 HD12 ILE 28 1HD1 ILE 28 -2.055 -8.217 11.568 234 HD13 ILE 28 2HD1 ILE 28 -1.786 -9.485 10.370 235 H PHE 29 H PHE 29 -2.138 -3.563 7.115 236 HA PHE 29 HA PHE 29 -2.091 -1.160 8.697 237 HB2 PHE 29 1HB PHE 29 -3.273 -1.679 5.962 238 HB3 PHE 29 2HB PHE 29 -3.099 -0.095 6.711 239 HD1 PHE 29 HD2 PHE 29 -0.514 0.041 7.774 240 HD2 PHE 29 HD1 PHE 29 -1.790 -1.963 4.245 241 HE1 PHE 29 HE2 PHE 29 1.758 0.227 6.854 242 HE2 PHE 29 HE1 PHE 29 0.481 -1.785 3.317 243 HZ PHE 29 HZ PHE 29 2.259 -0.689 4.622 244 H ASN 30 H ASN 30 -3.616 -0.390 9.928 245 HA ASN 30 HA ASN 30 -6.133 -1.812 10.178 246 HB2 ASN 30 1HB ASN 30 -5.086 0.604 11.677 247 HB3 ASN 30 2HB ASN 30 -6.506 -0.342 12.113 248 HD21 ASN 30 2HD2 ASN 30 -3.022 -0.297 11.935 249 HD22 ASN 30 1HD2 ASN 30 -2.763 -1.648 12.993 250 H GLY 31 H GLY 31 -4.966 1.371 9.223 251 HA2 GLY 31 1HA GLY 31 -7.651 1.933 8.133 252 HA3 GLY 31 2HA GLY 31 -6.725 3.163 8.984 253 H VAL 32 H VAL 32 -7.663 3.528 6.399 254 HA VAL 32 HA VAL 32 -5.836 2.835 4.375 255 HB VAL 32 HB VAL 32 -7.701 5.213 4.495 256 HG11 VAL 32 1HG1 VAL 32 -7.516 5.287 2.096 257 HG12 VAL 32 2HG1 VAL 32 -6.432 3.896 2.099 258 HG13 VAL 32 3HG1 VAL 32 -5.911 5.426 2.807 259 HG21 VAL 32 3HG2 VAL 32 -8.084 2.451 3.342 260 HG22 VAL 32 1HG2 VAL 32 -9.213 3.796 3.167 261 HG23 VAL 32 2HG2 VAL 32 -8.891 3.116 4.763 262 H TYR 33 H TYR 33 -5.978 5.592 6.564 263 HA TYR 33 HA TYR 33 -4.022 7.158 5.239 264 HB2 TYR 33 1HB TYR 33 -5.654 8.069 6.881 265 HB3 TYR 33 2HB TYR 33 -4.802 7.216 8.162 266 HD1 TYR 33 HD2 TYR 33 -2.623 7.996 8.947 267 HD2 TYR 33 HD1 TYR 33 -4.708 10.036 5.848 268 HE1 TYR 33 HE2 TYR 33 -1.145 9.943 9.232 269 HE2 TYR 33 HE1 TYR 33 -3.238 11.980 6.126 270 HH TYR 33 HH TYR 33 -0.431 11.887 8.211 271 H GLU 34 H GLU 34 -3.903 4.636 7.647 272 HA GLU 34 HA GLU 34 -1.221 4.993 8.460 273 HB2 GLU 34 1HB GLU 34 -2.888 3.686 9.732 274 HB3 GLU 34 2HB GLU 34 -2.892 2.471 8.459 275 HG2 GLU 34 1HG GLU 34 -0.605 1.915 8.911 276 HG3 GLU 34 2HG GLU 34 -0.475 3.241 10.066 277 H ALA 35 H ALA 35 -2.734 3.171 5.863 278 HA ALA 35 HA ALA 35 -0.398 1.844 4.958 279 HB1 ALA 35 3HB ALA 35 -2.647 1.119 4.322 280 HB2 ALA 35 1HB ALA 35 -1.659 1.450 2.899 281 HB3 ALA 35 2HB ALA 35 -2.877 2.614 3.417 282 H PHE 36 H PHE 36 -1.918 4.920 4.158 283 HA PHE 36 HA PHE 36 -0.216 5.688 2.061 284 HB2 PHE 36 1HB PHE 36 -2.370 6.790 2.572 285 HB3 PHE 36 2HB PHE 36 -1.683 7.432 4.058 286 HD1 PHE 36 HD1 PHE 36 -1.470 7.552 0.376 287 HD2 PHE 36 HD2 PHE 36 -0.418 9.423 4.052 288 HE1 PHE 36 HE1 PHE 36 -0.721 9.546 -0.857 289 HE2 PHE 36 HE2 PHE 36 0.335 11.418 2.827 290 HZ PHE 36 HZ PHE 36 0.182 11.484 0.370 291 H ASP 37 H ASP 37 -0.027 6.192 5.554 292 HA ASP 37 HA ASP 37 2.246 7.820 5.645 293 HB2 ASP 37 1HB ASP 37 0.811 7.448 7.591 294 HB3 ASP 37 2HB ASP 37 1.293 5.757 7.645 295 H PHE 38 H PHE 38 1.989 4.292 5.950 296 HA PHE 38 HA PHE 38 4.664 3.682 6.316 297 HB2 PHE 38 1HB PHE 38 2.929 2.023 6.613 298 HB3 PHE 38 2HB PHE 38 2.508 2.099 4.907 299 HD1 PHE 38 HD1 PHE 38 5.088 1.003 7.307 300 HD2 PHE 38 HD2 PHE 38 3.688 0.842 3.292 301 HE1 PHE 38 HE1 PHE 38 6.646 -0.842 6.839 302 HE2 PHE 38 HE2 PHE 38 5.244 -1.003 2.817 303 HZ PHE 38 HZ PHE 38 6.725 -1.848 4.593 304 H LEU 39 H LEU 39 2.900 4.166 3.296 305 HA LEU 39 HA LEU 39 4.881 3.219 1.547 306 HB2 LEU 39 1HB LEU 39 2.709 5.263 1.112 307 HB3 LEU 39 2HB LEU 39 3.684 4.575 -0.171 308 HG LEU 39 HG LEU 39 1.857 2.990 1.635 309 HD11 LEU 39 1HD1 LEU 39 1.483 3.909 -1.213 310 HD12 LEU 39 2HD1 LEU 39 0.583 4.472 0.195 311 HD13 LEU 39 3HD1 LEU 39 0.420 2.802 -0.344 312 HD21 LEU 39 3HD2 LEU 39 3.401 2.215 -0.840 313 HD22 LEU 39 1HD2 LEU 39 2.237 1.192 0.002 314 HD23 LEU 39 2HD2 LEU 39 3.727 1.680 0.808 315 H GLN 40 H GLN 40 4.558 6.293 3.176 316 HA GLN 40 HA GLN 40 6.682 7.412 1.492 317 HB2 GLN 40 1HB GLN 40 4.907 8.763 3.527 318 HB3 GLN 40 2HB GLN 40 6.123 9.570 2.546 319 HG2 GLN 40 1HG GLN 40 4.891 8.857 0.520 320 HG3 GLN 40 2HG GLN 40 3.636 8.193 1.563 321 HE21 GLN 40 2HE2 GLN 40 3.489 10.302 -0.436 322 HE22 GLN 40 1HE2 GLN 40 2.902 11.709 0.386 323 H HIS 41 H HIS 41 6.035 6.284 4.704 324 HA HIS 41 HA HIS 41 8.425 7.479 5.809 325 HB2 HIS 41 1HB HIS 41 6.253 5.729 6.902 326 HB3 HIS 41 2HB HIS 41 7.763 5.909 7.790 327 HD1 HIS 41 HD1 HIS 41 7.789 7.754 9.407 328 HD2 HIS 41 HD2 HIS 41 5.062 8.437 6.341 329 HE1 HIS 41 HE1 HIS 41 6.613 9.898 10.005 330 HE2 HIS 41 HE2 HIS 41 4.817 10.161 8.257 331 H GLU 42 H GLU 42 7.344 4.197 4.963 332 HA GLU 42 HA GLU 42 10.149 3.362 4.955 333 HB2 GLU 42 1HB GLU 42 7.949 2.007 6.508 334 HB3 GLU 42 2HB GLU 42 9.486 1.241 6.136 335 HG2 GLU 42 1HG GLU 42 10.663 2.962 7.381 336 HG3 GLU 42 2HG GLU 42 9.135 3.768 7.731 337 H TRP 43 H TRP 43 9.642 3.530 2.627 338 HA TRP 43 HA TRP 43 8.387 1.041 1.695 339 HB2 TRP 43 1HB TRP 43 7.406 3.135 0.790 340 HB3 TRP 43 2HB TRP 43 8.979 3.562 0.128 341 HD1 TRP 43 HD1 TRP 43 9.146 3.078 -2.342 342 HE1 TRP 43 HE1 TRP 43 8.136 1.381 -3.996 343 HE3 TRP 43 HE3 TRP 43 6.338 0.325 0.938 344 HZ2 TRP 43 HZ2 TRP 43 6.381 -0.823 -3.914 345 HZ3 TRP 43 HZ3 TRP 43 5.026 -1.557 0.062 346 HH2 TRP 43 HH2 TRP 43 5.048 -2.121 -2.312 347 HA PRO 44 HA PRO 44 12.741 0.097 1.230 348 HB2 PRO 44 1HB PRO 44 12.502 -2.562 1.234 349 HB3 PRO 44 2HB PRO 44 12.218 -1.616 2.700 350 HG2 PRO 44 1HG PRO 44 10.238 -2.807 0.801 351 HG3 PRO 44 2HG PRO 44 10.196 -2.755 2.571 352 HD2 PRO 44 1HD PRO 44 8.829 -1.020 0.915 353 HD3 PRO 44 2HD PRO 44 9.273 -0.670 2.596 354 H ALA 45 H ALA 45 11.236 0.844 -1.145 355 HA ALA 45 HA ALA 45 12.794 -0.469 -3.139 356 HB1 ALA 45 3HB ALA 45 11.091 -2.208 -2.828 357 HB2 ALA 45 1HB ALA 45 10.968 -1.467 -4.425 358 HB3 ALA 45 2HB ALA 45 9.824 -1.025 -3.155 359 H ARG 46 H ARG 46 11.547 0.166 -5.413 360 HA ARG 46 HA ARG 46 10.857 3.011 -5.134 361 HB2 ARG 46 1HB ARG 46 12.163 1.530 -7.421 362 HB3 ARG 46 2HB ARG 46 11.586 3.186 -7.541 363 HG2 ARG 46 1HG ARG 46 13.153 3.934 -5.908 364 HG3 ARG 46 2HG ARG 46 13.627 2.276 -5.533 365 HD2 ARG 46 1HD ARG 46 13.983 3.587 -8.221 366 HD3 ARG 46 2HD ARG 46 15.241 3.480 -6.988 367 HE ARG 46 HE ARG 46 14.409 0.903 -7.329 368 HH11 ARG 46 1HH1 ARG 46 15.591 3.387 -9.506 369 HH12 ARG 46 2HH1 ARG 46 16.359 2.250 -10.577 370 HH21 ARG 46 1HH2 ARG 46 15.417 -0.582 -8.735 371 HH22 ARG 46 2HH2 ARG 46 16.261 0.002 -10.136 372 H GLY 47 H GLY 47 10.235 2.144 -8.269 373 HA2 GLY 47 1HA GLY 47 8.249 0.769 -8.941 374 HA3 GLY 47 2HA GLY 47 7.417 1.546 -7.599 375 H ASP 48 H ASP 48 8.596 4.108 -8.000 376 HA ASP 48 HA ASP 48 8.157 6.085 -8.994 377 HB2 ASP 48 1HB ASP 48 9.623 5.116 -10.739 378 HB3 ASP 48 2HB ASP 48 8.202 4.479 -11.556 379 H ARG 49 H ARG 49 6.414 4.448 -11.558 380 HA ARG 49 HA ARG 49 4.105 6.033 -11.221 381 HB2 ARG 49 1HB ARG 49 4.488 3.429 -12.702 382 HB3 ARG 49 2HB ARG 49 3.053 4.436 -12.825 383 HG2 ARG 49 1HG ARG 49 4.358 6.238 -13.775 384 HG3 ARG 49 2HG ARG 49 5.840 5.300 -13.570 385 HD2 ARG 49 1HD ARG 49 3.490 4.531 -15.300 386 HD3 ARG 49 2HD ARG 49 5.015 5.208 -15.875 387 HE ARG 49 HE ARG 49 6.017 3.123 -14.761 388 HH11 ARG 49 1HH1 ARG 49 2.860 3.239 -16.276 389 HH12 ARG 49 2HH1 ARG 49 2.869 1.554 -16.719 390 HH21 ARG 49 1HH2 ARG 49 6.043 0.927 -15.342 391 HH22 ARG 49 2HH2 ARG 49 4.694 0.234 -16.188 392 H ALA 50 H ALA 50 4.865 2.709 -10.279 393 HA ALA 50 HA ALA 50 2.308 2.059 -9.276 394 HB1 ALA 50 3HB ALA 50 4.973 0.905 -8.457 395 HB2 ALA 50 1HB ALA 50 4.016 0.378 -9.842 396 HB3 ALA 50 2HB ALA 50 3.391 0.169 -8.206 397 H HIS 51 H HIS 51 5.056 3.700 -7.890 398 HA HIS 51 HA HIS 51 4.201 3.531 -5.176 399 HB2 HIS 51 1HB HIS 51 6.558 3.937 -5.811 400 HB3 HIS 51 2HB HIS 51 6.099 5.499 -6.480 401 HD1 HIS 51 HD1 HIS 51 6.759 3.746 -3.252 402 HD2 HIS 51 HD2 HIS 51 5.586 7.504 -4.579 403 HE1 HIS 51 HE1 HIS 51 6.986 5.265 -1.263 404 HE2 HIS 51 HE2 HIS 51 6.491 7.571 -2.157 405 H GLU 52 H GLU 52 4.021 6.068 -7.660 406 HA GLU 52 HA GLU 52 2.605 7.924 -6.077 407 HB2 GLU 52 1HB GLU 52 2.712 7.606 -9.080 408 HB3 GLU 52 2HB GLU 52 2.038 9.000 -8.245 409 HG2 GLU 52 1HG GLU 52 4.900 8.071 -8.132 410 HG3 GLU 52 2HG GLU 52 4.283 9.460 -9.027 411 H GLN 53 H GLN 53 1.546 5.383 -8.296 412 HA GLN 53 HA GLN 53 -1.202 5.874 -8.224 413 HB2 GLN 53 1HB GLN 53 -0.162 4.303 -9.780 414 HB3 GLN 53 2HB GLN 53 0.270 3.242 -8.448 415 HG2 GLN 53 1HG GLN 53 -2.066 2.806 -7.995 416 HG3 GLN 53 2HG GLN 53 -2.539 3.936 -9.265 417 HE21 GLN 53 2HE2 GLN 53 -2.236 3.369 -11.418 418 HE22 GLN 53 1HE2 GLN 53 -1.964 1.728 -11.897 419 H ALA 54 H ALA 54 0.787 3.787 -6.132 420 HA ALA 54 HA ALA 54 -1.251 2.810 -4.503 421 HB1 ALA 54 3HB ALA 54 1.612 3.361 -3.738 422 HB2 ALA 54 1HB ALA 54 1.022 1.902 -4.529 423 HB3 ALA 54 2HB ALA 54 0.499 2.288 -2.890 424 H LEU 55 H LEU 55 0.700 5.758 -4.170 425 HA LEU 55 HA LEU 55 -0.388 6.597 -1.709 426 HB2 LEU 55 1HB LEU 55 0.768 8.226 -3.974 427 HB3 LEU 55 2HB LEU 55 0.403 8.859 -2.382 428 HG LEU 55 HG LEU 55 2.444 6.716 -2.990 429 HD11 LEU 55 1HD1 LEU 55 4.080 8.422 -2.369 430 HD12 LEU 55 2HD1 LEU 55 2.781 9.600 -2.177 431 HD13 LEU 55 3HD1 LEU 55 3.130 8.924 -3.769 432 HD21 LEU 55 3HD2 LEU 55 3.093 6.990 -0.643 433 HD22 LEU 55 1HD2 LEU 55 1.437 6.403 -0.798 434 HD23 LEU 55 2HD2 LEU 55 1.739 8.094 -0.401 435 H ARG 56 H ARG 56 -1.313 7.254 -5.056 436 HA ARG 56 HA ARG 56 -3.405 9.057 -4.494 437 HB2 ARG 56 1HB ARG 56 -2.480 8.952 -6.704 438 HB3 ARG 56 2HB ARG 56 -2.897 7.249 -6.855 439 HG2 ARG 56 1HG ARG 56 -5.252 7.793 -6.867 440 HG3 ARG 56 2HG ARG 56 -4.880 9.499 -6.618 441 HD2 ARG 56 1HD ARG 56 -3.864 9.679 -8.754 442 HD3 ARG 56 2HD ARG 56 -3.876 7.930 -8.978 443 HE ARG 56 HE ARG 56 -6.371 8.139 -9.009 444 HH11 ARG 56 1HH1 ARG 56 -4.330 10.858 -9.899 445 HH12 ARG 56 2HH1 ARG 56 -5.510 11.543 -10.974 446 HH21 ARG 56 1HH2 ARG 56 -7.910 9.045 -10.425 447 HH22 ARG 56 2HH2 ARG 56 -7.543 10.515 -11.279 448 H LEU 57 H LEU 57 -3.347 5.540 -4.879 449 HA LEU 57 HA LEU 57 -6.077 5.015 -4.769 450 HB2 LEU 57 1HB LEU 57 -3.813 3.397 -3.589 451 HB3 LEU 57 2HB LEU 57 -5.441 2.805 -3.855 452 HG LEU 57 HG LEU 57 -3.611 3.753 -6.058 453 HD11 LEU 57 1HD1 LEU 57 -4.249 0.942 -5.175 454 HD12 LEU 57 2HD1 LEU 57 -2.706 1.769 -4.962 455 HD13 LEU 57 3HD1 LEU 57 -3.290 1.400 -6.584 456 HD21 LEU 57 3HD2 LEU 57 -5.984 3.932 -6.587 457 HD22 LEU 57 1HD2 LEU 57 -6.225 2.249 -6.118 458 HD23 LEU 57 2HD2 LEU 57 -5.225 2.640 -7.517 459 H CYS 58 H CYS 58 -3.748 5.245 -2.099 460 HA CYS 58 HA CYS 58 -5.630 4.867 -0.029 461 HB2 CYS 58 1HB CYS 58 -3.000 6.356 0.096 462 HB3 CYS 58 2HB CYS 58 -3.872 5.654 1.455 463 HG CYS 58 HG CYS 58 -2.123 4.052 -0.993 464 H ARG 59 H ARG 59 -4.351 7.741 -1.618 465 HA ARG 59 HA ARG 59 -5.467 9.683 0.072 466 HB2 ARG 59 1HB ARG 59 -3.698 9.951 -1.756 467 HB3 ARG 59 2HB ARG 59 -5.035 10.023 -2.892 468 HG2 ARG 59 1HG ARG 59 -5.911 11.991 -1.736 469 HG3 ARG 59 2HG ARG 59 -4.563 11.918 -0.598 470 HD2 ARG 59 1HD ARG 59 -4.020 13.548 -2.255 471 HD3 ARG 59 2HD ARG 59 -3.013 12.132 -2.550 472 HE ARG 59 HE ARG 59 -5.491 12.621 -4.075 473 HH11 ARG 59 1HH1 ARG 59 -2.040 11.942 -3.976 474 HH12 ARG 59 2HH1 ARG 59 -1.919 11.715 -5.697 475 HH21 ARG 59 1HH2 ARG 59 -5.320 12.346 -6.315 476 HH22 ARG 59 2HH2 ARG 59 -3.783 11.960 -7.032 477 H ALA 60 H ALA 60 -6.702 8.246 -2.941 478 HA ALA 60 HA ALA 60 -9.111 9.761 -2.969 479 HB1 ALA 60 3HB ALA 60 -8.484 7.166 -4.371 480 HB2 ALA 60 1HB ALA 60 -8.151 8.782 -4.996 481 HB3 ALA 60 2HB ALA 60 -9.818 8.260 -4.747 482 H SER 61 H SER 61 -8.184 6.737 -1.495 483 HA SER 61 HA SER 61 -10.820 5.844 -0.913 484 HB2 SER 61 1HB SER 61 -8.190 5.173 0.417 485 HB3 SER 61 2HB SER 61 -9.704 4.312 0.686 486 HG SER 61 HG SER 61 -8.130 4.451 -1.658 487 H LEU 62 H LEU 62 -8.472 7.859 0.776 488 HA LEU 62 HA LEU 62 -9.973 8.156 3.170 489 HB2 LEU 62 1HB LEU 62 -7.843 9.879 1.908 490 HB3 LEU 62 2HB LEU 62 -8.545 10.213 3.479 491 HG LEU 62 HG LEU 62 -7.057 7.681 2.783 492 HD11 LEU 62 1HD1 LEU 62 -5.561 9.601 2.716 493 HD12 LEU 62 2HD1 LEU 62 -5.242 8.609 4.140 494 HD13 LEU 62 3HD1 LEU 62 -6.138 10.120 4.300 495 HD21 LEU 62 3HD2 LEU 62 -8.687 7.391 4.565 496 HD22 LEU 62 1HD2 LEU 62 -8.030 8.789 5.416 497 HD23 LEU 62 2HD2 LEU 62 -7.047 7.340 5.213 498 H MET 63 H MET 63 -10.050 9.683 0.051 499 HA MET 63 HA MET 63 -11.733 11.868 0.779 500 HB2 MET 63 1HB MET 63 -11.225 10.539 -1.890 501 HB3 MET 63 2HB MET 63 -12.182 12.000 -1.685 502 HG2 MET 63 1HG MET 63 -10.247 13.180 -0.833 503 HG3 MET 63 2HG MET 63 -9.279 11.712 -0.946 504 HE1 MET 63 3HE MET 63 -11.996 12.919 -3.530 505 HE2 MET 63 1HE MET 63 -11.018 13.890 -4.632 506 HE3 MET 63 2HE MET 63 -11.278 14.432 -2.973 507 H GLY 64 H GLY 64 -12.240 8.554 -0.195 508 HA2 GLY 64 1HA GLY 64 -14.179 7.370 0.550 509 HA3 GLY 64 2HA GLY 64 -15.087 8.872 0.456 510 H ASP 65 H ASP 65 -12.966 8.174 -2.160 511 HA ASP 65 HA ASP 65 -15.304 7.648 -3.837 512 HB2 ASP 65 1HB ASP 65 -12.571 8.728 -4.409 513 HB3 ASP 65 2HB ASP 65 -13.507 7.995 -5.709 514 H VAL 66 H VAL 66 -12.465 6.119 -2.620 515 HA VAL 66 HA VAL 66 -12.913 3.825 -4.390 516 HB VAL 66 HB VAL 66 -10.629 4.312 -2.468 517 HG11 VAL 66 1HG1 VAL 66 -9.563 2.428 -3.633 518 HG12 VAL 66 2HG1 VAL 66 -11.046 2.173 -4.551 519 HG13 VAL 66 3HG1 VAL 66 -11.041 1.950 -2.801 520 HG21 VAL 66 3HG2 VAL 66 -9.278 4.713 -4.473 521 HG22 VAL 66 1HG2 VAL 66 -10.583 5.891 -4.328 522 HG23 VAL 66 2HG2 VAL 66 -10.721 4.560 -5.476 523 H ALA 67 H ALA 67 -14.184 2.270 -3.667 524 HA ALA 67 HA ALA 67 -15.110 2.280 -0.958 525 HB1 ALA 67 3HB ALA 67 -16.611 0.517 -1.655 526 HB2 ALA 67 1HB ALA 67 -15.716 0.320 -3.162 527 HB3 ALA 67 2HB ALA 67 -16.595 1.815 -2.849 528 H GLY 68 H GLY 68 -12.685 1.869 -0.336 529 HA2 GLY 68 1HA GLY 68 -11.489 0.559 1.110 530 HA3 GLY 68 2HA GLY 68 -12.868 -0.517 1.156 531 H GLU 69 H GLU 69 -13.015 -2.168 -0.541 532 HA GLU 69 HA GLU 69 -10.566 -3.588 -0.479 533 HB2 GLU 69 1HB GLU 69 -12.813 -4.634 -0.322 534 HB3 GLU 69 2HB GLU 69 -13.061 -4.276 -2.027 535 HG2 GLU 69 1HG GLU 69 -11.169 -5.683 -2.614 536 HG3 GLU 69 2HG GLU 69 -10.878 -6.021 -0.909 537 H ILE 70 H ILE 70 -12.070 -1.613 -2.908 538 HA ILE 70 HA ILE 70 -10.737 -2.557 -5.180 539 HB ILE 70 HB ILE 70 -11.579 0.274 -4.541 540 HG12 ILE 70 1HG1 ILE 70 -12.971 -1.939 -6.065 541 HG13 ILE 70 2HG1 ILE 70 -13.423 -1.346 -4.471 542 HG21 ILE 70 1HG2 ILE 70 -11.536 0.646 -6.961 543 HG22 ILE 70 2HG2 ILE 70 -10.889 -0.977 -7.197 544 HG23 ILE 70 3HG2 ILE 70 -9.935 0.235 -6.341 545 HD11 ILE 70 3HD1 ILE 70 -14.897 -0.463 -6.171 546 HD12 ILE 70 1HD1 ILE 70 -13.523 0.213 -7.043 547 HD13 ILE 70 2HD1 ILE 70 -13.949 0.836 -5.450 548 H ALA 71 H ALA 71 -9.758 -0.208 -2.721 549 HA ALA 71 HA ALA 71 -7.242 0.392 -3.922 550 HB1 ALA 71 3HB ALA 71 -6.712 1.480 -1.800 551 HB2 ALA 71 1HB ALA 71 -8.141 0.755 -1.064 552 HB3 ALA 71 2HB ALA 71 -8.319 1.936 -2.361 553 H ARG 72 H ARG 72 -8.384 -1.904 -1.523 554 HA ARG 72 HA ARG 72 -5.940 -2.863 -0.566 555 HB2 ARG 72 1HB ARG 72 -8.185 -3.421 0.378 556 HB3 ARG 72 2HB ARG 72 -8.470 -4.465 -1.008 557 HG2 ARG 72 1HG ARG 72 -6.468 -5.787 -0.336 558 HG3 ARG 72 2HG ARG 72 -6.377 -4.809 1.125 559 HD2 ARG 72 1HD ARG 72 -8.818 -5.510 1.503 560 HD3 ARG 72 2HD ARG 72 -8.501 -6.755 0.294 561 HE ARG 72 HE ARG 72 -6.807 -6.521 2.688 562 HH11 ARG 72 1HH1 ARG 72 -8.966 -8.416 0.661 563 HH12 ARG 72 2HH1 ARG 72 -8.701 -9.882 1.565 564 HH21 ARG 72 1HH2 ARG 72 -6.487 -8.440 3.864 565 HH22 ARG 72 2HH2 ARG 72 -7.303 -9.899 3.368 566 H THR 73 H THR 73 -7.915 -3.957 -3.290 567 HA THR 73 HA THR 73 -6.242 -6.098 -4.051 568 HB THR 73 HB THR 73 -8.143 -4.559 -5.828 569 HG1 THR 73 HG1 THR 73 -9.332 -5.198 -4.059 570 HG21 THR 73 3HG2 THR 73 -8.371 -6.713 -6.991 571 HG22 THR 73 1HG2 THR 73 -7.179 -7.423 -5.902 572 HG23 THR 73 2HG2 THR 73 -6.705 -6.141 -7.015 573 H ALA 74 H ALA 74 -6.477 -2.736 -5.159 574 HA ALA 74 HA ALA 74 -4.572 -3.008 -7.246 575 HB1 ALA 74 3HB ALA 74 -4.632 -0.576 -7.355 576 HB2 ALA 74 1HB ALA 74 -5.489 -0.521 -5.814 577 HB3 ALA 74 2HB ALA 74 -6.259 -1.242 -7.227 578 H PHE 75 H PHE 75 -4.354 -2.063 -3.861 579 HA PHE 75 HA PHE 75 -1.731 -1.120 -3.793 580 HB2 PHE 75 1HB PHE 75 -3.397 -1.025 -1.917 581 HB3 PHE 75 2HB PHE 75 -3.119 -2.739 -1.641 582 HD1 PHE 75 HD1 PHE 75 -0.943 -3.518 -0.780 583 HD2 PHE 75 HD2 PHE 75 -1.854 0.618 -1.178 584 HE1 PHE 75 HE1 PHE 75 0.922 -2.968 0.724 585 HE2 PHE 75 HE2 PHE 75 0.012 1.175 0.326 586 HZ PHE 75 HZ PHE 75 1.402 -0.617 1.278 587 H VAL 76 H VAL 76 -2.959 -4.415 -3.277 588 HA VAL 76 HA VAL 76 -0.442 -5.649 -2.988 589 HB VAL 76 HB VAL 76 -3.062 -6.838 -3.932 590 HG11 VAL 76 1HG1 VAL 76 -1.162 -8.222 -4.614 591 HG12 VAL 76 2HG1 VAL 76 -2.110 -9.006 -3.350 592 HG13 VAL 76 3HG1 VAL 76 -0.575 -8.236 -2.950 593 HG21 VAL 76 3HG2 VAL 76 -1.755 -6.835 -1.213 594 HG22 VAL 76 1HG2 VAL 76 -3.265 -7.641 -1.634 595 HG23 VAL 76 2HG2 VAL 76 -3.161 -5.881 -1.684 596 H ALA 77 H ALA 77 -2.492 -5.052 -5.806 597 HA ALA 77 HA ALA 77 -1.081 -6.543 -7.696 598 HB1 ALA 77 3HB ALA 77 -2.608 -3.980 -8.135 599 HB2 ALA 77 1HB ALA 77 -3.300 -5.601 -8.103 600 HB3 ALA 77 2HB ALA 77 -2.163 -5.151 -9.376 601 H ALA 78 H ALA 78 -0.650 -3.160 -6.693 602 HA ALA 78 HA ALA 78 1.461 -2.609 -8.509 603 HB1 ALA 78 3HB ALA 78 1.848 -0.614 -7.160 604 HB2 ALA 78 1HB ALA 78 0.808 -1.262 -5.890 605 HB3 ALA 78 2HB ALA 78 0.124 -0.845 -7.461 606 H SER 79 H SER 79 1.333 -3.975 -5.296 607 HA SER 79 HA SER 79 4.123 -3.646 -4.744 608 HB2 SER 79 1HB SER 79 2.068 -5.386 -3.355 609 HB3 SER 79 2HB SER 79 3.655 -4.942 -2.723 610 HG SER 79 HG SER 79 1.420 -3.262 -3.200 611 H ARG 80 H ARG 80 2.434 -5.815 -6.702 612 HA ARG 80 HA ARG 80 3.804 -8.228 -6.165 613 HB2 ARG 80 1HB ARG 80 2.619 -7.339 -8.800 614 HB3 ARG 80 2HB ARG 80 3.026 -8.988 -8.347 615 HG2 ARG 80 1HG ARG 80 1.354 -8.773 -6.481 616 HG3 ARG 80 2HG ARG 80 0.848 -7.252 -7.221 617 HD2 ARG 80 1HD ARG 80 -0.642 -8.851 -8.066 618 HD3 ARG 80 2HD ARG 80 0.527 -8.597 -9.363 619 HE ARG 80 HE ARG 80 0.584 -10.903 -7.513 620 HH11 ARG 80 1HH1 ARG 80 1.057 -9.507 -10.693 621 HH12 ARG 80 2HH1 ARG 80 1.535 -11.010 -11.426 622 HH21 ARG 80 1HH2 ARG 80 1.197 -12.874 -8.471 623 HH22 ARG 80 2HH2 ARG 80 1.601 -12.934 -10.161 624 H GLN 81 H GLN 81 4.614 -5.416 -8.064 625 HA GLN 81 HA GLN 81 6.708 -6.583 -9.576 626 HB2 GLN 81 1HB GLN 81 5.646 -4.488 -10.242 627 HB3 GLN 81 2HB GLN 81 6.251 -3.699 -8.793 628 HG2 GLN 81 1HG GLN 81 8.520 -3.910 -9.560 629 HG3 GLN 81 2HG GLN 81 8.001 -4.873 -10.943 630 HE21 GLN 81 2HE2 GLN 81 9.479 -2.350 -10.831 631 HE22 GLN 81 1HE2 GLN 81 8.555 -1.225 -11.764 632 H ALA 82 H ALA 82 6.498 -5.388 -6.336 633 HA ALA 82 HA ALA 82 9.300 -5.052 -5.907 634 HB1 ALA 82 3HB ALA 82 7.605 -3.927 -4.522 635 HB2 ALA 82 1HB ALA 82 8.734 -4.874 -3.554 636 HB3 ALA 82 2HB ALA 82 7.113 -5.494 -3.876 637 H HIS 83 H HIS 83 7.247 -7.733 -6.157 638 HA HIS 83 HA HIS 83 7.554 -9.967 -6.001 639 HB2 HIS 83 1HB HIS 83 10.465 -9.166 -5.848 640 HB3 HIS 83 2HB HIS 83 9.905 -10.828 -6.013 641 HD1 HIS 83 HD1 HIS 83 11.205 -8.271 -8.022 642 HD2 HIS 83 HD2 HIS 83 7.983 -10.867 -8.433 643 HE1 HIS 83 HE1 HIS 83 10.685 -8.322 -10.483 644 HE2 HIS 83 HE2 HIS 83 8.603 -9.734 -10.667 645 H CYS 84 H CYS 84 6.908 -8.551 -3.663 646 HA CYS 84 HA CYS 84 7.707 -10.523 -1.714 647 HB2 CYS 84 1HB CYS 84 9.391 -8.679 -1.517 648 HB3 CYS 84 2HB CYS 84 8.074 -7.577 -1.130 649 HG CYS 84 HG CYS 84 7.698 -8.289 1.354 650 H LEU 85 H LEU 85 5.623 -11.203 -1.697 651 HA LEU 85 HA LEU 85 3.624 -9.325 -0.623 652 HB2 LEU 85 1HB LEU 85 3.188 -11.644 -2.512 653 HB3 LEU 85 2HB LEU 85 1.911 -10.681 -1.795 654 HG LEU 85 HG LEU 85 4.016 -9.621 -3.683 655 HD11 LEU 85 1HD1 LEU 85 2.510 -11.153 -4.817 656 HD12 LEU 85 2HD1 LEU 85 2.182 -9.488 -5.303 657 HD13 LEU 85 3HD1 LEU 85 1.117 -10.298 -4.153 658 HD21 LEU 85 3HD2 LEU 85 2.584 -7.632 -3.760 659 HD22 LEU 85 1HD2 LEU 85 3.197 -7.932 -2.134 660 HD23 LEU 85 2HD2 LEU 85 1.533 -8.346 -2.539 661 H MET 86 H MET 86 1.714 -10.736 0.356 662 HA MET 86 HA MET 86 2.880 -12.382 2.395 663 HB2 MET 86 1HB MET 86 0.033 -11.634 1.754 664 HB3 MET 86 2HB MET 86 0.446 -12.745 3.054 665 HG2 MET 86 1HG MET 86 1.357 -9.887 2.815 666 HG3 MET 86 2HG MET 86 0.086 -10.488 3.880 667 HE1 MET 86 3HE MET 86 0.535 -12.092 5.974 668 HE2 MET 86 1HE MET 86 2.118 -12.785 6.333 669 HE3 MET 86 2HE MET 86 1.268 -13.242 4.855 670 H GLU 87 H GLU 87 1.328 -12.893 -0.650 671 HA GLU 87 HA GLU 87 0.818 -15.679 -0.280 672 HB2 GLU 87 1HB GLU 87 1.138 -14.124 -2.858 673 HB3 GLU 87 2HB GLU 87 0.466 -15.741 -2.705 674 HG2 GLU 87 1HG GLU 87 -1.349 -14.779 -1.299 675 HG3 GLU 87 2HG GLU 87 -0.706 -13.177 -1.656 676 H ASP 88 H ASP 88 2.602 -16.777 0.354 677 HA ASP 88 HA ASP 88 5.120 -16.417 -1.040 678 HB2 ASP 88 1HB ASP 88 6.040 -17.975 0.568 679 HB3 ASP 88 2HB ASP 88 5.054 -16.793 1.421 680 H LYS 89 H LYS 89 6.006 -19.140 -0.960 681 HA LYS 89 HA LYS 89 4.959 -19.921 -3.504 682 HB2 LYS 89 1HB LYS 89 6.894 -21.394 -1.717 683 HB3 LYS 89 2HB LYS 89 6.587 -21.737 -3.415 684 HG2 LYS 89 1HG LYS 89 7.412 -19.474 -3.977 685 HG3 LYS 89 2HG LYS 89 7.817 -19.238 -2.275 686 HD2 LYS 89 1HD LYS 89 9.306 -21.205 -2.392 687 HD3 LYS 89 2HD LYS 89 8.947 -21.344 -4.115 688 HE2 LYS 89 1HE LYS 89 9.810 -19.026 -4.405 689 HE3 LYS 89 2HE LYS 89 10.311 -19.055 -2.715 690 HZ1 LYS 89 3HZ LYS 89 11.303 -20.759 -4.927 691 HZ2 LYS 89 1HZ LYS 89 11.639 -21.074 -3.292 692 HZ3 LYS 89 2HZ LYS 89 12.180 -19.635 -4.006 693 H ALA 90 H ALA 90 2.758 -20.134 -2.730 694 HA ALA 90 HA ALA 90 2.220 -22.964 -2.205 695 HB1 ALA 90 3HB ALA 90 0.741 -20.704 -0.844 696 HB2 ALA 90 1HB ALA 90 1.881 -21.801 -0.063 697 HB3 ALA 90 2HB ALA 90 0.364 -22.421 -0.714 698 H GLU 91 H GLU 91 2.143 -22.652 -4.587 699 HA GLU 91 HA GLU 91 -0.140 -21.140 -5.584 700 HB2 GLU 91 1HB GLU 91 1.967 -22.667 -7.119 701 HB3 GLU 91 2HB GLU 91 0.802 -21.532 -7.789 702 HG2 GLU 91 1HG GLU 91 1.841 -19.704 -6.603 703 HG3 GLU 91 2HG GLU 91 2.954 -20.819 -5.808 704 H ALA 92 H ALA 92 -1.915 -22.304 -5.056 705 HA ALA 92 HA ALA 92 -2.159 -24.941 -6.347 706 HB1 ALA 92 3HB ALA 92 -2.166 -25.154 -3.901 707 HB2 ALA 92 1HB ALA 92 -3.725 -25.598 -4.599 708 HB3 ALA 92 2HB ALA 92 -3.524 -24.033 -3.811 709 HA PRO 93 HA PRO 93 -5.094 -22.265 -8.573 710 HB2 PRO 93 1HB PRO 93 -5.398 -24.058 -10.634 711 HB3 PRO 93 2HB PRO 93 -4.134 -22.827 -10.563 712 HG2 PRO 93 1HG PRO 93 -3.991 -25.736 -9.901 713 HG3 PRO 93 2HG PRO 93 -2.800 -24.712 -10.726 714 HD2 PRO 93 1HD PRO 93 -2.541 -25.424 -8.134 715 HD3 PRO 93 2HD PRO 93 -1.977 -23.856 -8.749 716 H ASN 94 H ASN 94 -5.544 -25.801 -8.754 717 HA ASN 94 HA ASN 94 -8.387 -25.424 -8.214 718 HB2 ASN 94 1HB ASN 94 -8.661 -27.745 -8.919 719 HB3 ASN 94 2HB ASN 94 -7.756 -26.847 -10.131 720 HD21 ASN 94 2HD2 ASN 94 -7.887 -29.719 -9.588 721 HD22 ASN 94 1HD2 ASN 94 -6.254 -30.221 -9.316 722 H THR 95 H THR 95 -9.338 -27.331 -6.845 723 HA THR 95 HA THR 95 -7.881 -27.246 -4.317 724 HB THR 95 HB THR 95 -10.199 -28.157 -3.502 725 HG1 THR 95 HG1 THR 95 -11.169 -28.498 -5.506 726 HG21 THR 95 3HG2 THR 95 -10.997 -25.851 -3.262 727 HG22 THR 95 1HG2 THR 95 -9.829 -25.319 -4.471 728 HG23 THR 95 2HG2 THR 95 -9.268 -25.966 -2.928 729 H ILE 96 H ILE 96 -6.807 -28.950 -3.648 730 HA ILE 96 HA ILE 96 -7.674 -31.634 -4.487 731 HB ILE 96 HB ILE 96 -4.962 -30.709 -3.486 732 HG12 ILE 96 1HG1 ILE 96 -4.277 -31.699 -5.776 733 HG13 ILE 96 2HG1 ILE 96 -5.985 -31.574 -6.182 734 HG21 ILE 96 1HG2 ILE 96 -5.432 -32.926 -2.622 735 HG22 ILE 96 2HG2 ILE 96 -4.195 -33.006 -3.877 736 HG23 ILE 96 3HG2 ILE 96 -5.851 -33.489 -4.240 737 HD11 ILE 96 3HD1 ILE 96 -4.728 -29.673 -7.010 738 HD12 ILE 96 1HD1 ILE 96 -4.193 -29.296 -5.373 739 HD13 ILE 96 2HD1 ILE 96 -5.903 -29.171 -5.792 740 H ALA 97 H ALA 97 -7.880 -33.250 -2.861 741 HA ALA 97 HA ALA 97 -9.003 -32.243 -0.440 742 HB1 ALA 97 3HB ALA 97 -9.512 -34.547 0.071 743 HB2 ALA 97 1HB ALA 97 -8.410 -35.099 -1.190 744 HB3 ALA 97 2HB ALA 97 -9.873 -34.214 -1.623 745 H SER 98 H SER 98 -5.949 -32.096 -0.980 746 HA SER 98 HA SER 98 -4.902 -33.506 1.331 747 HB2 SER 98 1HB SER 98 -2.731 -32.448 0.606 748 HB3 SER 98 2HB SER 98 -3.484 -33.474 -0.616 749 HG SER 98 HG SER 98 -3.151 -30.704 -0.555 750 H GLY 99 H GLY 99 -6.799 -31.021 1.203 751 HA2 GLY 99 1HA GLY 99 -5.554 -28.827 2.383 752 HA3 GLY 99 2HA GLY 99 -7.252 -29.237 2.563 753 H SER 100 H SER 100 -4.366 -28.835 4.133 754 HA SER 100 HA SER 100 -5.407 -30.066 6.567 755 HB2 SER 100 1HB SER 100 -3.753 -31.618 5.452 756 HB3 SER 100 2HB SER 100 -2.532 -30.365 5.653 757 HG SER 100 HG SER 100 -3.205 -30.503 7.993 Start of MODEL 3 1 H1 MET 1 1H MET 1 -4.607 23.804 8.805 2 H2 MET 1 2H MET 1 -4.700 25.204 7.850 3 H3 MET 1 3H MET 1 -5.755 23.907 7.558 4 HA MET 1 HA MET 1 -5.676 25.551 10.020 5 HB2 MET 1 1HB MET 1 -6.559 26.718 7.987 6 HB3 MET 1 2HB MET 1 -7.785 25.465 7.853 7 HG2 MET 1 1HG MET 1 -8.677 26.087 10.029 8 HG3 MET 1 2HG MET 1 -7.435 27.327 10.192 9 HE1 MET 1 3HE MET 1 -10.495 29.611 9.677 10 HE2 MET 1 1HE MET 1 -9.026 29.305 10.605 11 HE3 MET 1 2HE MET 1 -10.363 28.154 10.664 12 H GLU 2 H GLU 2 -6.251 24.343 11.696 13 HA GLU 2 HA GLU 2 -7.472 21.790 11.357 14 HB2 GLU 2 1HB GLU 2 -7.007 23.357 13.895 15 HB3 GLU 2 2HB GLU 2 -7.428 21.654 13.800 16 HG2 GLU 2 1HG GLU 2 -5.302 21.313 12.508 17 HG3 GLU 2 2HG GLU 2 -4.881 22.974 12.924 18 H VAL 3 H VAL 3 -9.518 21.650 10.778 19 HA VAL 3 HA VAL 3 -11.519 23.375 12.011 20 HB VAL 3 HB VAL 3 -13.140 22.160 10.542 21 HG11 VAL 3 1HG1 VAL 3 -12.387 23.186 8.447 22 HG12 VAL 3 2HG1 VAL 3 -10.775 23.395 9.134 23 HG13 VAL 3 3HG1 VAL 3 -12.145 24.263 9.823 24 HG21 VAL 3 3HG2 VAL 3 -12.287 20.734 8.752 25 HG22 VAL 3 1HG2 VAL 3 -11.917 20.051 10.335 26 HG23 VAL 3 2HG2 VAL 3 -10.656 20.868 9.412 27 H GLN 4 H GLN 4 -13.165 22.580 13.346 28 HA GLN 4 HA GLN 4 -12.346 20.624 15.180 29 HB2 GLN 4 1HB GLN 4 -15.114 21.754 14.749 30 HB3 GLN 4 2HB GLN 4 -14.572 20.890 16.182 31 HG2 GLN 4 1HG GLN 4 -12.852 22.672 16.503 32 HG3 GLN 4 2HG GLN 4 -13.619 23.563 15.191 33 HE21 GLN 4 2HE2 GLN 4 -13.288 24.305 17.969 34 HE22 GLN 4 1HE2 GLN 4 -14.875 24.568 18.605 35 H SER 5 H SER 5 -14.731 20.491 12.570 36 HA SER 5 HA SER 5 -14.573 17.563 12.726 37 HB2 SER 5 1HB SER 5 -16.811 18.496 13.419 38 HB3 SER 5 2HB SER 5 -16.980 19.146 11.789 39 HG SER 5 HG SER 5 -17.317 17.192 11.010 40 H MET 6 H MET 6 -13.848 16.616 10.915 41 HA MET 6 HA MET 6 -13.302 18.360 8.629 42 HB2 MET 6 1HB MET 6 -12.217 15.621 9.314 43 HB3 MET 6 2HB MET 6 -11.745 16.573 7.914 44 HG2 MET 6 1HG MET 6 -10.854 18.302 9.390 45 HG3 MET 6 2HG MET 6 -11.327 17.345 10.793 46 HE1 MET 6 3HE MET 6 -9.827 16.071 7.375 47 HE2 MET 6 1HE MET 6 -8.103 16.051 7.749 48 HE3 MET 6 2HE MET 6 -8.971 17.585 7.664 49 H LEU 7 H LEU 7 -13.968 17.891 6.558 50 HA LEU 7 HA LEU 7 -16.245 16.210 6.216 51 HB2 LEU 7 1HB LEU 7 -15.882 18.252 4.875 52 HB3 LEU 7 2HB LEU 7 -14.475 17.510 4.139 53 HG LEU 7 HG LEU 7 -15.935 15.772 3.153 54 HD11 LEU 7 1HD1 LEU 7 -18.356 16.094 3.160 55 HD12 LEU 7 2HD1 LEU 7 -18.174 17.463 4.257 56 HD13 LEU 7 3HD1 LEU 7 -17.740 15.839 4.792 57 HD21 LEU 7 3HD2 LEU 7 -15.320 17.721 1.847 58 HD22 LEU 7 1HD2 LEU 7 -16.684 18.621 2.513 59 HD23 LEU 7 2HD2 LEU 7 -16.970 17.227 1.471 60 H LEU 8 H LEU 8 -12.812 15.961 5.488 61 HA LEU 8 HA LEU 8 -13.097 13.272 4.452 62 HB2 LEU 8 1HB LEU 8 -10.608 14.853 5.126 63 HB3 LEU 8 2HB LEU 8 -10.640 13.308 4.296 64 HG LEU 8 HG LEU 8 -11.725 15.925 3.254 65 HD11 LEU 8 1HD1 LEU 8 -9.414 14.211 2.357 66 HD12 LEU 8 2HD1 LEU 8 -9.299 15.765 3.186 67 HD13 LEU 8 3HD1 LEU 8 -9.983 15.680 1.562 68 HD21 LEU 8 3HD2 LEU 8 -13.148 14.069 2.555 69 HD22 LEU 8 1HD2 LEU 8 -11.732 13.193 1.973 70 HD23 LEU 8 2HD2 LEU 8 -12.218 14.700 1.196 71 H ASN 9 H ASN 9 -13.140 11.529 5.695 72 HA ASN 9 HA ASN 9 -12.607 11.915 8.554 73 HB2 ASN 9 1HB ASN 9 -14.312 9.870 7.116 74 HB3 ASN 9 2HB ASN 9 -14.054 9.904 8.856 75 HD21 ASN 9 2HD2 ASN 9 -14.070 12.841 8.922 76 HD22 ASN 9 1HD2 ASN 9 -15.725 13.304 8.756 77 H ASP 10 H ASP 10 -11.768 10.042 9.742 78 HA ASP 10 HA ASP 10 -9.452 8.927 8.538 79 HB2 ASP 10 1HB ASP 10 -10.873 8.364 11.146 80 HB3 ASP 10 2HB ASP 10 -9.402 7.524 10.665 81 H VAL 11 H VAL 11 -9.751 7.560 6.891 82 HA VAL 11 HA VAL 11 -11.986 5.711 6.945 83 HB VAL 11 HB VAL 11 -9.960 6.163 4.745 84 HG11 VAL 11 1HG1 VAL 11 -11.604 5.046 3.317 85 HG12 VAL 11 2HG1 VAL 11 -12.643 4.782 4.719 86 HG13 VAL 11 3HG1 VAL 11 -11.069 3.990 4.624 87 HG21 VAL 11 3HG2 VAL 11 -11.217 8.199 5.191 88 HG22 VAL 11 1HG2 VAL 11 -12.732 7.303 5.090 89 HG23 VAL 11 2HG2 VAL 11 -11.719 7.485 3.657 90 H LYS 12 H LYS 12 -11.594 4.016 8.170 91 HA LYS 12 HA LYS 12 -9.012 2.697 8.086 92 HB2 LYS 12 1HB LYS 12 -11.519 2.285 9.711 93 HB3 LYS 12 2HB LYS 12 -10.224 1.098 9.712 94 HG2 LYS 12 1HG LYS 12 -9.812 3.985 10.443 95 HG3 LYS 12 2HG LYS 12 -10.206 2.726 11.616 96 HD2 LYS 12 1HD LYS 12 -8.200 1.473 10.863 97 HD3 LYS 12 2HD LYS 12 -7.785 2.835 9.823 98 HE2 LYS 12 1HE LYS 12 -7.564 4.283 11.743 99 HE3 LYS 12 2HE LYS 12 -8.103 2.993 12.816 100 HZ1 LYS 12 3HZ LYS 12 -5.720 3.168 12.897 101 HZ2 LYS 12 1HZ LYS 12 -5.597 3.020 11.208 102 HZ3 LYS 12 2HZ LYS 12 -6.135 1.708 12.137 103 H TRP 13 H TRP 13 -8.895 0.388 7.607 104 HA TRP 13 HA TRP 13 -10.591 -0.275 5.341 105 HB2 TRP 13 1HB TRP 13 -7.908 -0.989 6.231 106 HB3 TRP 13 2HB TRP 13 -8.837 -2.398 5.728 107 HD1 TRP 13 HD1 TRP 13 -10.346 -1.496 3.258 108 HE1 TRP 13 HE1 TRP 13 -9.148 -0.746 1.114 109 HE3 TRP 13 HE3 TRP 13 -5.813 -0.253 5.260 110 HZ2 TRP 13 HZ2 TRP 13 -6.611 0.239 0.365 111 HZ3 TRP 13 HZ3 TRP 13 -4.052 0.584 3.763 112 HH2 TRP 13 HH2 TRP 13 -4.442 0.826 1.365 113 H GLU 14 H GLU 14 -10.706 -2.959 5.362 114 HA GLU 14 HA GLU 14 -12.717 -3.606 7.220 115 HB2 GLU 14 1HB GLU 14 -12.514 -4.775 5.092 116 HB3 GLU 14 2HB GLU 14 -10.945 -5.412 5.564 117 HG2 GLU 14 1HG GLU 14 -11.921 -6.790 7.239 118 HG3 GLU 14 2HG GLU 14 -13.493 -6.016 7.039 119 H LYS 15 H LYS 15 -9.370 -4.815 7.011 120 HA LYS 15 HA LYS 15 -8.719 -4.293 9.667 121 HB2 LYS 15 1HB LYS 15 -10.412 -6.452 9.616 122 HB3 LYS 15 2HB LYS 15 -8.840 -7.233 9.549 123 HG2 LYS 15 1HG LYS 15 -9.858 -5.364 11.678 124 HG3 LYS 15 2HG LYS 15 -9.530 -7.089 11.831 125 HD2 LYS 15 1HD LYS 15 -7.484 -4.932 11.312 126 HD3 LYS 15 2HD LYS 15 -7.759 -5.746 12.850 127 HE2 LYS 15 1HE LYS 15 -6.867 -7.086 10.298 128 HE3 LYS 15 2HE LYS 15 -5.811 -6.638 11.635 129 HZ1 LYS 15 3HZ LYS 15 -7.030 -8.148 13.064 130 HZ2 LYS 15 1HZ LYS 15 -6.411 -8.968 11.713 131 HZ3 LYS 15 2HZ LYS 15 -8.060 -8.578 11.785 132 HA PRO 16 HA PRO 16 -5.271 -6.962 8.004 133 HB2 PRO 16 1HB PRO 16 -5.607 -8.874 6.173 134 HB3 PRO 16 2HB PRO 16 -6.174 -9.073 7.833 135 HG2 PRO 16 1HG PRO 16 -7.717 -8.544 5.359 136 HG3 PRO 16 2HG PRO 16 -8.205 -9.405 6.828 137 HD2 PRO 16 1HD PRO 16 -8.789 -6.711 6.126 138 HD3 PRO 16 2HD PRO 16 -9.154 -7.530 7.656 139 H VAL 17 H VAL 17 -3.777 -5.853 6.956 140 HA VAL 17 HA VAL 17 -3.760 -6.006 4.038 141 HB VAL 17 HB VAL 17 -2.914 -3.506 5.538 142 HG11 VAL 17 1HG1 VAL 17 -1.515 -3.975 3.595 143 HG12 VAL 17 2HG1 VAL 17 -2.528 -2.558 3.316 144 HG13 VAL 17 3HG1 VAL 17 -2.952 -4.103 2.579 145 HG21 VAL 17 3HG2 VAL 17 -5.347 -3.663 5.407 146 HG22 VAL 17 1HG2 VAL 17 -5.243 -3.912 3.665 147 HG23 VAL 17 2HG2 VAL 17 -4.738 -2.375 4.365 148 H THR 18 H THR 18 -2.308 -7.690 4.175 149 HA THR 18 HA THR 18 -0.076 -7.544 6.026 150 HB THR 18 HB THR 18 -0.658 -9.751 4.054 151 HG1 THR 18 HG1 THR 18 -2.543 -9.522 5.241 152 HG21 THR 18 3HG2 THR 18 1.523 -9.833 5.178 153 HG22 THR 18 1HG2 THR 18 0.475 -11.144 5.720 154 HG23 THR 18 2HG2 THR 18 0.719 -9.730 6.745 155 H ILE 19 H ILE 19 1.554 -6.263 5.371 156 HA ILE 19 HA ILE 19 2.717 -6.813 2.712 157 HB ILE 19 HB ILE 19 3.067 -4.386 4.491 158 HG12 ILE 19 1HG1 ILE 19 0.906 -4.505 3.265 159 HG13 ILE 19 2HG1 ILE 19 1.912 -3.150 2.763 160 HG21 ILE 19 1HG2 ILE 19 4.402 -3.446 2.659 161 HG22 ILE 19 2HG2 ILE 19 4.294 -4.985 1.805 162 HG23 ILE 19 3HG2 ILE 19 5.144 -4.891 3.347 163 HD11 ILE 19 3HD1 ILE 19 2.580 -4.354 0.781 164 HD12 ILE 19 1HD1 ILE 19 0.825 -4.235 0.881 165 HD13 ILE 19 2HD1 ILE 19 1.629 -5.752 1.287 166 H SER 20 H SER 20 4.187 -8.413 3.017 167 HA SER 20 HA SER 20 5.773 -8.560 5.420 168 HB2 SER 20 1HB SER 20 5.903 -10.190 2.873 169 HB3 SER 20 2HB SER 20 6.799 -10.542 4.349 170 HG SER 20 HG SER 20 4.710 -11.669 3.996 171 H LEU 21 H LEU 21 7.214 -6.956 5.620 172 HA LEU 21 HA LEU 21 8.637 -5.817 3.429 173 HB2 LEU 21 1HB LEU 21 9.235 -5.651 6.383 174 HB3 LEU 21 2HB LEU 21 9.903 -4.612 5.138 175 HG LEU 21 HG LEU 21 7.001 -4.744 5.963 176 HD11 LEU 21 1HD1 LEU 21 9.073 -2.587 6.351 177 HD12 LEU 21 2HD1 LEU 21 8.459 -3.663 7.608 178 HD13 LEU 21 3HD1 LEU 21 7.378 -2.506 6.832 179 HD21 LEU 21 3HD2 LEU 21 7.230 -4.271 3.588 180 HD22 LEU 21 1HD2 LEU 21 8.388 -2.989 3.942 181 HD23 LEU 21 2HD2 LEU 21 6.711 -2.832 4.466 182 H GLN 22 H GLN 22 10.735 -6.107 2.776 183 HA GLN 22 HA GLN 22 12.011 -8.574 3.086 184 HB2 GLN 22 1HB GLN 22 12.451 -7.118 1.192 185 HB3 GLN 22 2HB GLN 22 13.124 -5.888 2.251 186 HG2 GLN 22 1HG GLN 22 14.966 -7.393 2.821 187 HG3 GLN 22 2HG GLN 22 14.289 -8.617 1.747 188 HE21 GLN 22 2HE2 GLN 22 16.874 -7.198 1.702 189 HE22 GLN 22 1HE2 GLN 22 16.970 -6.476 0.132 190 H ASN 23 H ASN 23 11.929 -5.835 5.108 191 HA ASN 23 HA ASN 23 14.338 -6.171 6.548 192 HB2 ASN 23 1HB ASN 23 11.715 -4.967 7.472 193 HB3 ASN 23 2HB ASN 23 13.269 -4.769 8.271 194 HD21 ASN 23 2HD2 ASN 23 11.503 -2.744 7.213 195 HD22 ASN 23 1HD2 ASN 23 12.418 -1.863 6.037 196 H GLY 24 H GLY 24 11.540 -8.060 6.392 197 HA2 GLY 24 1HA GLY 24 11.347 -10.175 7.408 198 HA3 GLY 24 2HA GLY 24 12.458 -9.651 8.666 199 H ALA 25 H ALA 25 9.474 -8.155 7.465 200 HA ALA 25 HA ALA 25 8.080 -8.770 9.920 201 HB1 ALA 25 3HB ALA 25 9.419 -6.833 10.584 202 HB2 ALA 25 1HB ALA 25 7.698 -6.451 10.568 203 HB3 ALA 25 2HB ALA 25 8.735 -5.903 9.251 204 HA PRO 26 HA PRO 26 4.860 -8.308 6.757 205 HB2 PRO 26 1HB PRO 26 3.281 -10.009 8.483 206 HB3 PRO 26 2HB PRO 26 3.910 -10.361 6.873 207 HG2 PRO 26 1HG PRO 26 4.784 -11.607 9.146 208 HG3 PRO 26 2HG PRO 26 5.777 -11.401 7.693 209 HD2 PRO 26 1HD PRO 26 5.786 -9.817 10.235 210 HD3 PRO 26 2HD PRO 26 7.156 -10.357 9.238 211 H ARG 27 H ARG 27 4.389 -6.177 7.241 212 HA ARG 27 HA ARG 27 3.086 -5.515 9.739 213 HB2 ARG 27 1HB ARG 27 3.981 -3.898 7.367 214 HB3 ARG 27 2HB ARG 27 2.949 -3.200 8.609 215 HG2 ARG 27 1HG ARG 27 4.659 -3.831 10.298 216 HG3 ARG 27 2HG ARG 27 5.704 -4.342 8.972 217 HD2 ARG 27 1HD ARG 27 5.883 -2.142 8.134 218 HD3 ARG 27 2HD ARG 27 4.542 -1.573 9.131 219 HE ARG 27 HE ARG 27 6.304 -2.399 10.983 220 HH11 ARG 27 1HH1 ARG 27 6.643 -0.284 8.204 221 HH12 ARG 27 2HH1 ARG 27 7.923 0.654 8.915 222 HH21 ARG 27 1HH2 ARG 27 7.976 -1.153 11.918 223 HH22 ARG 27 2HH2 ARG 27 8.691 0.148 11.010 224 H ILE 28 H ILE 28 1.028 -5.778 10.041 225 HA ILE 28 HA ILE 28 -0.788 -5.847 7.744 226 HB ILE 28 HB ILE 28 -1.305 -6.572 10.636 227 HG12 ILE 28 1HG1 ILE 28 -0.877 -8.349 8.223 228 HG13 ILE 28 2HG1 ILE 28 0.299 -8.082 9.505 229 HG21 ILE 28 1HG2 ILE 28 -3.371 -7.583 9.797 230 HG22 ILE 28 2HG2 ILE 28 -3.002 -6.992 8.177 231 HG23 ILE 28 3HG2 ILE 28 -3.328 -5.849 9.481 232 HD11 ILE 28 3HD1 ILE 28 -2.401 -9.372 9.828 233 HD12 ILE 28 1HD1 ILE 28 -1.224 -9.108 11.114 234 HD13 ILE 28 2HD1 ILE 28 -0.847 -10.203 9.784 235 H PHE 29 H PHE 29 -1.436 -3.865 7.190 236 HA PHE 29 HA PHE 29 -1.886 -1.803 9.186 237 HB2 PHE 29 1HB PHE 29 -2.513 -1.649 6.231 238 HB3 PHE 29 2HB PHE 29 -2.228 -0.315 7.344 239 HD1 PHE 29 HD2 PHE 29 0.067 0.189 8.114 240 HD2 PHE 29 HD1 PHE 29 -0.722 -2.822 5.211 241 HE1 PHE 29 HE2 PHE 29 2.445 0.185 7.466 242 HE2 PHE 29 HE1 PHE 29 1.644 -2.831 4.572 243 HZ PHE 29 HZ PHE 29 3.231 -1.333 5.685 244 H ASN 30 H ASN 30 -3.917 -0.882 9.663 245 HA ASN 30 HA ASN 30 -6.197 -2.556 8.831 246 HB2 ASN 30 1HB ASN 30 -7.234 -2.033 11.033 247 HB3 ASN 30 2HB ASN 30 -5.744 -2.956 11.171 248 HD21 ASN 30 2HD2 ASN 30 -3.911 -1.974 12.021 249 HD22 ASN 30 1HD2 ASN 30 -3.991 -0.497 12.914 250 H GLY 31 H GLY 31 -4.845 0.449 8.596 251 HA2 GLY 31 1HA GLY 31 -7.453 1.577 7.838 252 HA3 GLY 31 2HA GLY 31 -6.329 2.516 8.812 253 H VAL 32 H VAL 32 -7.326 3.332 6.316 254 HA VAL 32 HA VAL 32 -5.514 2.654 4.217 255 HB VAL 32 HB VAL 32 -7.436 4.982 4.373 256 HG11 VAL 32 1HG1 VAL 32 -7.328 4.975 1.949 257 HG12 VAL 32 2HG1 VAL 32 -6.174 3.643 1.986 258 HG13 VAL 32 3HG1 VAL 32 -5.726 5.220 2.640 259 HG21 VAL 32 3HG2 VAL 32 -8.975 3.542 3.100 260 HG22 VAL 32 1HG2 VAL 32 -8.617 2.886 4.697 261 HG23 VAL 32 2HG2 VAL 32 -7.840 2.202 3.269 262 H TYR 33 H TYR 33 -5.680 5.179 6.634 263 HA TYR 33 HA TYR 33 -3.881 6.980 5.383 264 HB2 TYR 33 1HB TYR 33 -5.427 7.674 7.179 265 HB3 TYR 33 2HB TYR 33 -4.523 6.690 8.326 266 HD1 TYR 33 HD2 TYR 33 -4.316 9.656 6.126 267 HD2 TYR 33 HD1 TYR 33 -2.539 7.505 9.340 268 HE1 TYR 33 HE2 TYR 33 -2.812 11.551 6.552 269 HE2 TYR 33 HE1 TYR 33 -1.030 9.396 9.777 270 HH TYR 33 HH TYR 33 -1.496 12.455 8.513 271 H GLU 34 H GLU 34 -3.463 4.264 7.584 272 HA GLU 34 HA GLU 34 -0.753 4.684 8.206 273 HB2 GLU 34 1HB GLU 34 -2.317 2.108 8.032 274 HB3 GLU 34 2HB GLU 34 -0.698 2.239 8.704 275 HG2 GLU 34 1HG GLU 34 -1.600 2.671 10.670 276 HG3 GLU 34 2HG GLU 34 -2.241 4.176 10.015 277 H ALA 35 H ALA 35 -2.323 2.977 5.547 278 HA ALA 35 HA ALA 35 0.024 1.867 4.439 279 HB1 ALA 35 3HB ALA 35 -2.565 2.541 3.048 280 HB2 ALA 35 1HB ALA 35 -2.229 1.046 3.921 281 HB3 ALA 35 2HB ALA 35 -1.318 1.440 2.463 282 H PHE 36 H PHE 36 -1.744 4.863 3.774 283 HA PHE 36 HA PHE 36 -0.173 5.757 1.624 284 HB2 PHE 36 1HB PHE 36 -2.370 6.724 2.222 285 HB3 PHE 36 2HB PHE 36 -1.663 7.410 3.680 286 HD1 PHE 36 HD2 PHE 36 -1.687 7.569 0.000 287 HD2 PHE 36 HD1 PHE 36 -0.420 9.430 3.611 288 HE1 PHE 36 HE2 PHE 36 -1.073 9.590 -1.260 289 HE2 PHE 36 HE1 PHE 36 0.191 11.455 2.357 290 HZ PHE 36 HZ PHE 36 -0.132 11.537 -0.082 291 H ASP 37 H ASP 37 0.104 6.291 5.107 292 HA ASP 37 HA ASP 37 2.312 8.065 4.962 293 HB2 ASP 37 1HB ASP 37 0.738 7.799 6.914 294 HB3 ASP 37 2HB ASP 37 1.549 6.283 7.283 295 H PHE 38 H PHE 38 2.012 4.580 5.427 296 HA PHE 38 HA PHE 38 4.680 3.937 5.915 297 HB2 PHE 38 1HB PHE 38 3.140 2.210 6.276 298 HB3 PHE 38 2HB PHE 38 2.383 2.424 4.703 299 HD1 PHE 38 HD2 PHE 38 5.615 1.392 6.246 300 HD2 PHE 38 HD1 PHE 38 2.914 0.983 2.980 301 HE1 PHE 38 HE2 PHE 38 7.006 -0.413 5.322 302 HE2 PHE 38 HE1 PHE 38 4.301 -0.820 2.055 303 HZ PHE 38 HZ PHE 38 6.348 -1.521 3.224 304 H LEU 39 H LEU 39 2.986 4.431 2.863 305 HA LEU 39 HA LEU 39 4.923 3.352 1.156 306 HB2 LEU 39 1HB LEU 39 2.883 5.512 0.670 307 HB3 LEU 39 2HB LEU 39 3.853 4.783 -0.595 308 HG LEU 39 HG LEU 39 1.903 3.299 1.168 309 HD11 LEU 39 1HD1 LEU 39 0.550 3.118 -0.869 310 HD12 LEU 39 2HD1 LEU 39 1.689 4.170 -1.710 311 HD13 LEU 39 3HD1 LEU 39 0.749 4.792 -0.354 312 HD21 LEU 39 3HD2 LEU 39 3.757 1.901 0.441 313 HD22 LEU 39 1HD2 LEU 39 3.494 2.400 -1.231 314 HD23 LEU 39 2HD2 LEU 39 2.269 1.449 -0.391 315 H GLN 40 H GLN 40 4.790 6.452 2.746 316 HA GLN 40 HA GLN 40 6.977 7.463 1.100 317 HB2 GLN 40 1HB GLN 40 5.454 8.747 3.377 318 HB3 GLN 40 2HB GLN 40 6.740 9.531 2.472 319 HG2 GLN 40 1HG GLN 40 5.407 9.353 0.430 320 HG3 GLN 40 2HG GLN 40 4.115 8.581 1.351 321 HE21 GLN 40 2HE2 GLN 40 4.157 11.098 -0.182 322 HE22 GLN 40 1HE2 GLN 40 3.666 12.323 0.940 323 H HIS 41 H HIS 41 6.650 5.546 3.771 324 HA HIS 41 HA HIS 41 9.017 6.621 5.115 325 HB2 HIS 41 1HB HIS 41 6.771 4.865 5.989 326 HB3 HIS 41 2HB HIS 41 8.323 4.715 6.804 327 HD1 HIS 41 HD1 HIS 41 8.382 6.038 8.858 328 HD2 HIS 41 HD2 HIS 41 6.071 7.870 5.927 329 HE1 HIS 41 HE1 HIS 41 7.539 8.174 9.892 330 HE2 HIS 41 HE2 HIS 41 5.985 9.158 8.165 331 H GLU 42 H GLU 42 7.907 3.254 4.898 332 HA GLU 42 HA GLU 42 10.720 2.577 4.342 333 HB2 GLU 42 1HB GLU 42 8.733 1.161 6.121 334 HB3 GLU 42 2HB GLU 42 10.347 0.567 5.750 335 HG2 GLU 42 1HG GLU 42 11.367 2.391 6.872 336 HG3 GLU 42 2HG GLU 42 9.825 3.229 7.037 337 H TRP 43 H TRP 43 8.666 2.851 2.297 338 HA TRP 43 HA TRP 43 7.924 0.258 1.409 339 HB2 TRP 43 1HB TRP 43 6.921 2.330 0.506 340 HB3 TRP 43 2HB TRP 43 8.465 2.755 -0.222 341 HD1 TRP 43 HD1 TRP 43 8.812 1.983 -2.635 342 HE1 TRP 43 HE1 TRP 43 7.632 0.354 -4.247 343 HE3 TRP 43 HE3 TRP 43 5.472 -0.101 0.636 344 HZ2 TRP 43 HZ2 TRP 43 5.561 -1.558 -4.131 345 HZ3 TRP 43 HZ3 TRP 43 3.928 -1.823 -0.200 346 HH2 TRP 43 HH2 TRP 43 3.972 -2.535 -2.536 347 HA PRO 44 HA PRO 44 12.200 -0.808 0.811 348 HB2 PRO 44 1HB PRO 44 11.917 -3.456 0.789 349 HB3 PRO 44 2HB PRO 44 11.587 -2.516 2.250 350 HG2 PRO 44 1HG PRO 44 9.674 -3.693 0.281 351 HG3 PRO 44 2HG PRO 44 9.552 -3.599 2.047 352 HD2 PRO 44 1HD PRO 44 8.323 -1.866 0.248 353 HD3 PRO 44 2HD PRO 44 8.598 -1.537 1.969 354 H ALA 45 H ALA 45 10.524 -0.184 -1.615 355 HA ALA 45 HA ALA 45 12.291 -1.393 -3.536 356 HB1 ALA 45 3HB ALA 45 9.329 -1.948 -3.711 357 HB2 ALA 45 1HB ALA 45 10.581 -3.136 -3.350 358 HB3 ALA 45 2HB ALA 45 10.532 -2.359 -4.934 359 H ARG 46 H ARG 46 11.269 -0.695 -5.855 360 HA ARG 46 HA ARG 46 10.859 2.183 -5.653 361 HB2 ARG 46 1HB ARG 46 11.203 0.412 -8.083 362 HB3 ARG 46 2HB ARG 46 11.149 2.169 -8.097 363 HG2 ARG 46 1HG ARG 46 13.194 2.254 -6.775 364 HG3 ARG 46 2HG ARG 46 13.244 0.490 -6.736 365 HD2 ARG 46 1HD ARG 46 13.332 0.504 -9.225 366 HD3 ARG 46 2HD ARG 46 13.462 2.261 -9.163 367 HE ARG 46 HE ARG 46 15.465 1.230 -7.531 368 HH11 ARG 46 1HH1 ARG 46 14.596 1.269 -10.934 369 HH12 ARG 46 2HH1 ARG 46 16.234 1.031 -11.474 370 HH21 ARG 46 1HH2 ARG 46 17.604 0.908 -8.251 371 HH22 ARG 46 2HH2 ARG 46 17.942 0.849 -9.955 372 H GLY 47 H GLY 47 9.368 2.741 -7.845 373 HA2 GLY 47 1HA GLY 47 7.145 1.176 -8.406 374 HA3 GLY 47 2HA GLY 47 6.715 2.176 -7.024 375 H ASP 48 H ASP 48 7.998 4.489 -7.554 376 HA ASP 48 HA ASP 48 7.691 6.493 -8.552 377 HB2 ASP 48 1HB ASP 48 9.112 5.227 -10.257 378 HB3 ASP 48 2HB ASP 48 7.626 5.022 -11.180 379 H ARG 49 H ARG 49 5.991 4.917 -11.179 380 HA ARG 49 HA ARG 49 3.686 6.589 -10.629 381 HB2 ARG 49 1HB ARG 49 4.402 4.811 -12.957 382 HB3 ARG 49 2HB ARG 49 2.888 5.705 -12.845 383 HG2 ARG 49 1HG ARG 49 4.083 7.796 -12.764 384 HG3 ARG 49 2HG ARG 49 5.625 6.945 -12.756 385 HD2 ARG 49 1HD ARG 49 5.203 6.099 -14.983 386 HD3 ARG 49 2HD ARG 49 3.606 6.852 -14.990 387 HE ARG 49 HE ARG 49 5.404 8.881 -14.467 388 HH11 ARG 49 1HH1 ARG 49 4.918 6.579 -17.057 389 HH12 ARG 49 2HH1 ARG 49 5.446 7.676 -18.300 390 HH21 ARG 49 1HH2 ARG 49 6.108 10.317 -16.095 391 HH22 ARG 49 2HH2 ARG 49 6.136 9.788 -17.752 392 H ALA 50 H ALA 50 4.578 3.193 -10.582 393 HA ALA 50 HA ALA 50 1.939 2.248 -9.995 394 HB1 ALA 50 3HB ALA 50 3.056 0.184 -9.282 395 HB2 ALA 50 1HB ALA 50 4.619 0.993 -9.386 396 HB3 ALA 50 2HB ALA 50 3.663 0.732 -10.845 397 H HIS 51 H HIS 51 4.593 3.583 -8.222 398 HA HIS 51 HA HIS 51 3.604 3.045 -5.604 399 HB2 HIS 51 1HB HIS 51 5.990 3.627 -6.174 400 HB3 HIS 51 2HB HIS 51 5.457 5.275 -6.477 401 HD1 HIS 51 HD1 HIS 51 6.418 2.954 -3.784 402 HD2 HIS 51 HD2 HIS 51 4.643 6.693 -4.128 403 HE1 HIS 51 HE1 HIS 51 6.527 3.965 -1.490 404 HE2 HIS 51 HE2 HIS 51 5.697 6.325 -1.797 405 H GLU 52 H GLU 52 3.408 5.770 -7.853 406 HA GLU 52 HA GLU 52 1.808 7.480 -6.317 407 HB2 GLU 52 1HB GLU 52 2.804 8.402 -8.234 408 HB3 GLU 52 2HB GLU 52 2.222 7.112 -9.271 409 HG2 GLU 52 1HG GLU 52 1.097 9.245 -9.683 410 HG3 GLU 52 2HG GLU 52 -0.016 7.979 -9.179 411 H GLN 53 H GLN 53 0.945 4.847 -8.528 412 HA GLN 53 HA GLN 53 -1.813 5.067 -8.485 413 HB2 GLN 53 1HB GLN 53 -0.559 3.456 -9.879 414 HB3 GLN 53 2HB GLN 53 -0.180 2.518 -8.442 415 HG2 GLN 53 1HG GLN 53 -2.563 2.073 -8.109 416 HG3 GLN 53 2HG GLN 53 -2.933 3.008 -9.556 417 HE21 GLN 53 2HE2 GLN 53 -2.419 2.160 -11.577 418 HE22 GLN 53 1HE2 GLN 53 -2.068 0.482 -11.811 419 H ALA 54 H ALA 54 0.293 3.311 -6.225 420 HA ALA 54 HA ALA 54 -1.747 2.426 -4.497 421 HB1 ALA 54 3HB ALA 54 1.156 2.945 -3.865 422 HB2 ALA 54 1HB ALA 54 0.498 1.451 -4.534 423 HB3 ALA 54 2HB ALA 54 0.041 1.967 -2.910 424 H LEU 55 H LEU 55 0.327 5.312 -4.404 425 HA LEU 55 HA LEU 55 -0.599 6.394 -1.988 426 HB2 LEU 55 1HB LEU 55 0.425 7.750 -4.482 427 HB3 LEU 55 2HB LEU 55 0.082 8.606 -2.994 428 HG LEU 55 HG LEU 55 2.129 6.404 -3.262 429 HD11 LEU 55 1HD1 LEU 55 2.480 9.397 -3.152 430 HD12 LEU 55 2HD1 LEU 55 2.762 8.368 -4.556 431 HD13 LEU 55 3HD1 LEU 55 3.777 8.204 -3.123 432 HD21 LEU 55 3HD2 LEU 55 1.223 6.609 -1.010 433 HD22 LEU 55 1HD2 LEU 55 1.539 8.345 -1.028 434 HD23 LEU 55 2HD2 LEU 55 2.883 7.204 -1.071 435 H ARG 56 H ARG 56 -1.770 6.718 -5.288 436 HA ARG 56 HA ARG 56 -3.734 8.681 -4.768 437 HB2 ARG 56 1HB ARG 56 -2.743 8.059 -7.003 438 HB3 ARG 56 2HB ARG 56 -3.768 6.632 -6.980 439 HG2 ARG 56 1HG ARG 56 -5.751 8.002 -6.981 440 HG3 ARG 56 2HG ARG 56 -4.771 9.467 -6.866 441 HD2 ARG 56 1HD ARG 56 -4.856 7.504 -9.148 442 HD3 ARG 56 2HD ARG 56 -5.437 9.170 -9.152 443 HE ARG 56 HE ARG 56 -2.720 9.197 -8.470 444 HH11 ARG 56 1HH1 ARG 56 -4.746 8.439 -11.220 445 HH12 ARG 56 2HH1 ARG 56 -3.527 8.834 -12.393 446 HH21 ARG 56 1HH2 ARG 56 -1.119 9.716 -9.991 447 HH22 ARG 56 2HH2 ARG 56 -1.452 9.579 -11.694 448 H LEU 57 H LEU 57 -3.839 5.148 -4.877 449 HA LEU 57 HA LEU 57 -6.572 4.741 -4.535 450 HB2 LEU 57 1HB LEU 57 -4.270 3.160 -3.384 451 HB3 LEU 57 2HB LEU 57 -5.931 2.602 -3.453 452 HG LEU 57 HG LEU 57 -4.304 3.292 -5.894 453 HD11 LEU 57 1HD1 LEU 57 -3.273 1.435 -4.708 454 HD12 LEU 57 2HD1 LEU 57 -4.050 0.878 -6.190 455 HD13 LEU 57 3HD1 LEU 57 -4.828 0.606 -4.631 456 HD21 LEU 57 3HD2 LEU 57 -6.052 2.036 -7.063 457 HD22 LEU 57 1HD2 LEU 57 -6.721 3.422 -6.203 458 HD23 LEU 57 2HD2 LEU 57 -6.904 1.800 -5.537 459 H CYS 58 H CYS 58 -4.048 5.016 -2.056 460 HA CYS 58 HA CYS 58 -5.769 4.899 0.166 461 HB2 CYS 58 1HB CYS 58 -3.084 6.281 -0.008 462 HB3 CYS 58 2HB CYS 58 -3.863 5.671 1.449 463 HG CYS 58 HG CYS 58 -2.355 3.906 -1.045 464 H ARG 59 H ARG 59 -4.527 7.568 -1.742 465 HA ARG 59 HA ARG 59 -5.403 9.693 -0.124 466 HB2 ARG 59 1HB ARG 59 -3.805 9.582 -2.206 467 HB3 ARG 59 2HB ARG 59 -5.276 9.904 -3.109 468 HG2 ARG 59 1HG ARG 59 -5.603 11.962 -1.803 469 HG3 ARG 59 2HG ARG 59 -4.087 11.641 -0.955 470 HD2 ARG 59 1HD ARG 59 -4.512 12.298 -3.853 471 HD3 ARG 59 2HD ARG 59 -3.514 13.144 -2.671 472 HE ARG 59 HE ARG 59 -2.280 10.807 -2.738 473 HH11 ARG 59 1HH1 ARG 59 -3.446 12.814 -5.356 474 HH12 ARG 59 2HH1 ARG 59 -2.313 12.180 -6.520 475 HH21 ARG 59 1HH2 ARG 59 -0.794 9.958 -4.271 476 HH22 ARG 59 2HH2 ARG 59 -0.814 10.541 -5.905 477 H ALA 60 H ALA 60 -6.878 8.185 -2.995 478 HA ALA 60 HA ALA 60 -9.172 9.844 -3.009 479 HB1 ALA 60 3HB ALA 60 -8.799 7.125 -4.259 480 HB2 ALA 60 1HB ALA 60 -8.374 8.667 -5.002 481 HB3 ALA 60 2HB ALA 60 -10.062 8.289 -4.656 482 H SER 61 H SER 61 -8.453 6.768 -1.460 483 HA SER 61 HA SER 61 -11.107 6.169 -0.685 484 HB2 SER 61 1HB SER 61 -8.510 5.373 0.650 485 HB3 SER 61 2HB SER 61 -10.084 4.640 0.953 486 HG SER 61 HG SER 61 -8.461 4.503 -1.348 487 H LEU 62 H LEU 62 -8.479 7.958 0.900 488 HA LEU 62 HA LEU 62 -9.941 8.596 3.244 489 HB2 LEU 62 1HB LEU 62 -7.548 9.857 1.922 490 HB3 LEU 62 2HB LEU 62 -8.238 10.495 3.402 491 HG LEU 62 HG LEU 62 -7.175 7.684 3.097 492 HD11 LEU 62 1HD1 LEU 62 -5.269 8.463 4.413 493 HD12 LEU 62 2HD1 LEU 62 -5.907 10.107 4.369 494 HD13 LEU 62 3HD1 LEU 62 -5.383 9.325 2.878 495 HD21 LEU 62 3HD2 LEU 62 -8.892 7.907 4.815 496 HD22 LEU 62 1HD2 LEU 62 -8.022 9.266 5.526 497 HD23 LEU 62 2HD2 LEU 62 -7.307 7.655 5.545 498 H MET 63 H MET 63 -9.844 9.949 0.045 499 HA MET 63 HA MET 63 -11.286 12.338 0.740 500 HB2 MET 63 1HB MET 63 -10.693 11.029 -1.918 501 HB3 MET 63 2HB MET 63 -11.591 12.531 -1.762 502 HG2 MET 63 1HG MET 63 -9.659 13.587 -0.714 503 HG3 MET 63 2HG MET 63 -8.757 12.078 -0.848 504 HE1 MET 63 3HE MET 63 -10.177 14.551 -4.478 505 HE2 MET 63 1HE MET 63 -10.460 15.022 -2.803 506 HE3 MET 63 2HE MET 63 -11.266 13.601 -3.469 507 H GLY 64 H GLY 64 -12.136 9.118 0.487 508 HA2 GLY 64 1HA GLY 64 -14.232 8.204 0.900 509 HA3 GLY 64 2HA GLY 64 -14.942 9.795 0.676 510 H ASP 65 H ASP 65 -12.805 8.645 -1.775 511 HA ASP 65 HA ASP 65 -15.077 8.475 -3.604 512 HB2 ASP 65 1HB ASP 65 -13.109 9.880 -4.204 513 HB3 ASP 65 2HB ASP 65 -12.120 8.423 -4.240 514 H VAL 66 H VAL 66 -12.160 6.590 -2.823 515 HA VAL 66 HA VAL 66 -13.230 4.263 -4.174 516 HB VAL 66 HB VAL 66 -10.710 4.543 -2.524 517 HG11 VAL 66 1HG1 VAL 66 -11.561 2.365 -4.429 518 HG12 VAL 66 2HG1 VAL 66 -11.470 2.229 -2.673 519 HG13 VAL 66 3HG1 VAL 66 -10.000 2.474 -3.617 520 HG21 VAL 66 3HG2 VAL 66 -10.668 5.996 -4.471 521 HG22 VAL 66 1HG2 VAL 66 -11.107 4.639 -5.510 522 HG23 VAL 66 2HG2 VAL 66 -9.550 4.647 -4.680 523 H ALA 67 H ALA 67 -14.181 2.542 -3.233 524 HA ALA 67 HA ALA 67 -15.154 2.906 -0.543 525 HB1 ALA 67 3HB ALA 67 -16.641 2.190 -2.355 526 HB2 ALA 67 1HB ALA 67 -16.613 1.029 -1.029 527 HB3 ALA 67 2HB ALA 67 -15.720 0.694 -2.512 528 H GLY 68 H GLY 68 -12.274 2.160 -0.990 529 HA2 GLY 68 1HA GLY 68 -10.833 1.145 0.515 530 HA3 GLY 68 2HA GLY 68 -12.202 0.312 1.226 531 H GLU 69 H GLU 69 -13.212 -1.202 -0.741 532 HA GLU 69 HA GLU 69 -11.510 -3.418 -0.755 533 HB2 GLU 69 1HB GLU 69 -13.793 -2.878 -2.658 534 HB3 GLU 69 2HB GLU 69 -13.110 -4.450 -2.267 535 HG2 GLU 69 1HG GLU 69 -13.926 -4.314 -0.023 536 HG3 GLU 69 2HG GLU 69 -14.459 -2.650 -0.271 537 H ILE 70 H ILE 70 -12.379 -1.267 -3.450 538 HA ILE 70 HA ILE 70 -10.796 -2.396 -5.430 539 HB ILE 70 HB ILE 70 -11.413 0.548 -5.099 540 HG12 ILE 70 1HG1 ILE 70 -12.988 -1.606 -6.532 541 HG13 ILE 70 2HG1 ILE 70 -13.434 -0.881 -4.992 542 HG21 ILE 70 1HG2 ILE 70 -11.191 0.640 -7.538 543 HG22 ILE 70 2HG2 ILE 70 -10.745 -1.065 -7.560 544 HG23 ILE 70 3HG2 ILE 70 -9.693 0.110 -6.771 545 HD11 ILE 70 3HD1 ILE 70 -14.712 0.067 -6.826 546 HD12 ILE 70 1HD1 ILE 70 -13.221 0.568 -7.621 547 HD13 ILE 70 2HD1 ILE 70 -13.679 1.286 -6.077 548 H ALA 71 H ALA 71 -9.947 -0.135 -2.882 549 HA ALA 71 HA ALA 71 -7.416 0.611 -3.891 550 HB1 ALA 71 3HB ALA 71 -8.386 0.619 -1.037 551 HB2 ALA 71 1HB ALA 71 -8.613 1.922 -2.204 552 HB3 ALA 71 2HB ALA 71 -6.988 1.491 -1.667 553 H ARG 72 H ARG 72 -8.518 -2.042 -1.843 554 HA ARG 72 HA ARG 72 -5.962 -2.873 -0.949 555 HB2 ARG 72 1HB ARG 72 -8.457 -4.544 -1.310 556 HB3 ARG 72 2HB ARG 72 -7.025 -5.031 -0.419 557 HG2 ARG 72 1HG ARG 72 -7.442 -2.980 1.035 558 HG3 ARG 72 2HG ARG 72 -9.040 -2.933 0.284 559 HD2 ARG 72 1HD ARG 72 -9.272 -4.168 2.299 560 HD3 ARG 72 2HD ARG 72 -9.314 -5.340 0.980 561 HE ARG 72 HE ARG 72 -7.015 -4.864 2.762 562 HH11 ARG 72 1HH1 ARG 72 -8.826 -6.969 0.610 563 HH12 ARG 72 2HH1 ARG 72 -7.764 -8.320 0.864 564 HH21 ARG 72 1HH2 ARG 72 -5.666 -6.647 3.109 565 HH22 ARG 72 2HH2 ARG 72 -5.961 -8.150 2.282 566 H THR 73 H THR 73 -8.046 -4.107 -3.547 567 HA THR 73 HA THR 73 -6.372 -6.131 -4.445 568 HB THR 73 HB THR 73 -8.271 -4.489 -6.127 569 HG1 THR 73 HG1 THR 73 -8.849 -6.907 -4.737 570 HG21 THR 73 3HG2 THR 73 -7.273 -7.325 -6.433 571 HG22 THR 73 1HG2 THR 73 -6.838 -5.957 -7.457 572 HG23 THR 73 2HG2 THR 73 -8.497 -6.556 -7.443 573 H ALA 74 H ALA 74 -6.575 -2.755 -5.558 574 HA ALA 74 HA ALA 74 -4.589 -3.104 -7.578 575 HB1 ALA 74 3HB ALA 74 -5.645 -0.554 -6.360 576 HB2 ALA 74 1HB ALA 74 -6.323 -1.390 -7.757 577 HB3 ALA 74 2HB ALA 74 -4.708 -0.686 -7.848 578 H PHE 75 H PHE 75 -4.530 -2.134 -4.210 579 HA PHE 75 HA PHE 75 -1.905 -1.076 -4.156 580 HB2 PHE 75 1HB PHE 75 -3.584 -0.760 -2.345 581 HB3 PHE 75 2HB PHE 75 -3.409 -2.458 -1.920 582 HD1 PHE 75 HD1 PHE 75 -1.542 0.734 -2.168 583 HD2 PHE 75 HD2 PHE 75 -1.750 -3.145 -0.434 584 HE1 PHE 75 HE1 PHE 75 0.298 1.323 -0.645 585 HE2 PHE 75 HE2 PHE 75 0.089 -2.565 1.093 586 HZ PHE 75 HZ PHE 75 1.116 -0.329 0.988 587 H VAL 76 H VAL 76 -3.206 -4.318 -3.591 588 HA VAL 76 HA VAL 76 -0.719 -5.557 -3.036 589 HB VAL 76 HB VAL 76 -3.244 -6.808 -4.148 590 HG11 VAL 76 1HG1 VAL 76 -0.915 -8.085 -2.715 591 HG12 VAL 76 2HG1 VAL 76 -1.267 -8.230 -4.437 592 HG13 VAL 76 3HG1 VAL 76 -2.384 -8.905 -3.250 593 HG21 VAL 76 3HG2 VAL 76 -3.648 -5.648 -2.042 594 HG22 VAL 76 1HG2 VAL 76 -2.305 -6.514 -1.295 595 HG23 VAL 76 2HG2 VAL 76 -3.738 -7.395 -1.821 596 H ALA 77 H ALA 77 -2.408 -4.755 -5.988 597 HA ALA 77 HA ALA 77 -0.817 -6.323 -7.747 598 HB1 ALA 77 3HB ALA 77 -2.380 -3.807 -8.326 599 HB2 ALA 77 1HB ALA 77 -3.010 -5.453 -8.398 600 HB3 ALA 77 2HB ALA 77 -1.754 -4.937 -9.525 601 H ALA 78 H ALA 78 -0.560 -3.042 -6.480 602 HA ALA 78 HA ALA 78 1.742 -2.351 -8.028 603 HB1 ALA 78 3HB ALA 78 0.253 -0.642 -7.119 604 HB2 ALA 78 1HB ALA 78 1.906 -0.415 -6.548 605 HB3 ALA 78 2HB ALA 78 0.694 -1.122 -5.480 606 H SER 79 H SER 79 1.192 -3.942 -4.986 607 HA SER 79 HA SER 79 3.810 -3.629 -3.927 608 HB2 SER 79 1HB SER 79 1.674 -5.667 -3.269 609 HB3 SER 79 2HB SER 79 3.116 -5.355 -2.306 610 HG SER 79 HG SER 79 1.040 -3.499 -2.882 611 H ARG 80 H ARG 80 2.823 -5.351 -6.569 612 HA ARG 80 HA ARG 80 4.246 -7.777 -6.283 613 HB2 ARG 80 1HB ARG 80 3.450 -6.241 -8.760 614 HB3 ARG 80 2HB ARG 80 4.155 -7.851 -8.787 615 HG2 ARG 80 1HG ARG 80 2.248 -8.683 -7.474 616 HG3 ARG 80 2HG ARG 80 1.534 -7.071 -7.530 617 HD2 ARG 80 1HD ARG 80 1.459 -7.192 -9.971 618 HD3 ARG 80 2HD ARG 80 2.180 -8.800 -9.915 619 HE ARG 80 HE ARG 80 -0.224 -8.623 -8.366 620 HH11 ARG 80 1HH1 ARG 80 1.055 -9.063 -11.595 621 HH12 ARG 80 2HH1 ARG 80 -0.358 -9.888 -12.182 622 HH21 ARG 80 1HH2 ARG 80 -2.089 -9.689 -9.132 623 HH22 ARG 80 2HH2 ARG 80 -2.167 -10.228 -10.781 624 H GLN 81 H GLN 81 5.190 -4.546 -7.240 625 HA GLN 81 HA GLN 81 7.708 -5.251 -8.354 626 HB2 GLN 81 1HB GLN 81 6.744 -2.634 -7.188 627 HB3 GLN 81 2HB GLN 81 8.230 -2.839 -8.107 628 HG2 GLN 81 1HG GLN 81 6.948 -3.522 -10.058 629 HG3 GLN 81 2HG GLN 81 5.452 -3.367 -9.139 630 HE21 GLN 81 2HE2 GLN 81 6.315 -2.009 -11.575 631 HE22 GLN 81 1HE2 GLN 81 6.240 -0.316 -11.229 632 H ALA 82 H ALA 82 6.580 -4.599 -5.118 633 HA ALA 82 HA ALA 82 9.242 -4.560 -3.988 634 HB1 ALA 82 3HB ALA 82 7.458 -3.235 -2.965 635 HB2 ALA 82 1HB ALA 82 8.098 -4.427 -1.833 636 HB3 ALA 82 2HB ALA 82 6.551 -4.711 -2.630 637 H HIS 83 H HIS 83 6.939 -6.867 -4.909 638 HA HIS 83 HA HIS 83 6.824 -9.121 -4.819 639 HB2 HIS 83 1HB HIS 83 9.660 -8.800 -3.853 640 HB3 HIS 83 2HB HIS 83 8.901 -10.381 -4.012 641 HD1 HIS 83 HD1 HIS 83 8.674 -11.354 -6.339 642 HD2 HIS 83 HD2 HIS 83 10.101 -7.445 -6.323 643 HE1 HIS 83 HE1 HIS 83 9.403 -10.885 -8.704 644 HE2 HIS 83 HE2 HIS 83 10.092 -8.456 -8.706 645 H CYS 84 H CYS 84 6.317 -7.270 -2.440 646 HA CYS 84 HA CYS 84 6.467 -9.088 -0.188 647 HB2 CYS 84 1HB CYS 84 5.187 -6.357 -0.474 648 HB3 CYS 84 2HB CYS 84 5.362 -7.244 1.037 649 HG CYS 84 HG CYS 84 8.044 -7.029 1.251 650 H LEU 85 H LEU 85 4.986 -10.053 -2.401 651 HA LEU 85 HA LEU 85 2.206 -9.524 -2.112 652 HB2 LEU 85 1HB LEU 85 3.690 -11.682 -3.587 653 HB3 LEU 85 2HB LEU 85 1.946 -11.510 -3.624 654 HG LEU 85 HG LEU 85 3.955 -9.503 -4.619 655 HD11 LEU 85 1HD1 LEU 85 2.991 -10.011 -6.806 656 HD12 LEU 85 2HD1 LEU 85 1.944 -11.219 -6.060 657 HD13 LEU 85 3HD1 LEU 85 3.693 -11.449 -6.063 658 HD21 LEU 85 3HD2 LEU 85 2.031 -8.386 -3.636 659 HD22 LEU 85 1HD2 LEU 85 0.945 -9.387 -4.602 660 HD23 LEU 85 2HD2 LEU 85 2.017 -8.231 -5.392 661 H MET 86 H MET 86 0.990 -10.177 -0.584 662 HA MET 86 HA MET 86 1.233 -12.922 0.417 663 HB2 MET 86 1HB MET 86 1.015 -10.415 2.081 664 HB3 MET 86 2HB MET 86 0.588 -12.001 2.702 665 HG2 MET 86 1HG MET 86 3.293 -11.277 1.610 666 HG3 MET 86 2HG MET 86 2.861 -11.245 3.319 667 HE1 MET 86 3HE MET 86 2.094 -13.442 4.677 668 HE2 MET 86 1HE MET 86 2.026 -15.049 3.951 669 HE3 MET 86 2HE MET 86 0.898 -13.799 3.431 670 H GLU 87 H GLU 87 -0.688 -13.952 0.604 671 HA GLU 87 HA GLU 87 -3.127 -12.387 0.237 672 HB2 GLU 87 1HB GLU 87 -2.717 -15.390 0.322 673 HB3 GLU 87 2HB GLU 87 -4.253 -14.586 0.023 674 HG2 GLU 87 1HG GLU 87 -3.192 -13.505 -1.973 675 HG3 GLU 87 2HG GLU 87 -1.799 -14.551 -1.712 676 H ASP 88 H ASP 88 -4.538 -12.032 1.875 677 HA ASP 88 HA ASP 88 -3.432 -12.080 4.463 678 HB2 ASP 88 1HB ASP 88 -6.267 -11.474 3.618 679 HB3 ASP 88 2HB ASP 88 -5.573 -11.107 5.195 680 H LYS 89 H LYS 89 -4.929 -12.727 6.365 681 HA LYS 89 HA LYS 89 -4.925 -15.620 6.218 682 HB2 LYS 89 1HB LYS 89 -3.803 -14.192 8.020 683 HB3 LYS 89 2HB LYS 89 -5.417 -13.926 8.661 684 HG2 LYS 89 1HG LYS 89 -5.690 -16.337 8.967 685 HG3 LYS 89 2HG LYS 89 -4.062 -16.594 8.334 686 HD2 LYS 89 1HD LYS 89 -3.165 -15.215 10.176 687 HD3 LYS 89 2HD LYS 89 -4.799 -15.057 10.825 688 HE2 LYS 89 1HE LYS 89 -3.599 -16.804 11.999 689 HE3 LYS 89 2HE LYS 89 -4.924 -17.494 11.065 690 HZ1 LYS 89 3HZ LYS 89 -2.050 -17.495 10.314 691 HZ2 LYS 89 1HZ LYS 89 -3.305 -18.079 9.329 692 HZ3 LYS 89 2HZ LYS 89 -2.965 -18.831 10.809 693 H ALA 90 H ALA 90 -7.186 -13.800 5.170 694 HA ALA 90 HA ALA 90 -9.459 -14.502 6.782 695 HB1 ALA 90 3HB ALA 90 -9.517 -12.496 5.406 696 HB2 ALA 90 1HB ALA 90 -10.786 -13.616 4.908 697 HB3 ALA 90 2HB ALA 90 -9.314 -13.467 3.948 698 H GLU 91 H GLU 91 -7.801 -15.776 3.994 699 HA GLU 91 HA GLU 91 -9.340 -18.268 4.264 700 HB2 GLU 91 1HB GLU 91 -8.413 -16.973 1.686 701 HB3 GLU 91 2HB GLU 91 -9.096 -18.587 1.801 702 HG2 GLU 91 1HG GLU 91 -11.176 -17.580 2.708 703 HG3 GLU 91 2HG GLU 91 -10.483 -15.989 2.392 704 H ALA 92 H ALA 92 -7.730 -19.613 2.266 705 HA ALA 92 HA ALA 92 -5.762 -20.656 1.906 706 HB1 ALA 92 3HB ALA 92 -3.653 -19.628 2.502 707 HB2 ALA 92 1HB ALA 92 -4.481 -18.474 3.546 708 HB3 ALA 92 2HB ALA 92 -4.739 -18.428 1.801 709 HA PRO 93 HA PRO 93 -6.076 -22.860 5.855 710 HB2 PRO 93 1HB PRO 93 -6.302 -25.319 4.763 711 HB3 PRO 93 2HB PRO 93 -7.675 -24.215 4.905 712 HG2 PRO 93 1HG PRO 93 -6.002 -24.865 2.524 713 HG3 PRO 93 2HG PRO 93 -7.746 -24.569 2.626 714 HD2 PRO 93 1HD PRO 93 -5.887 -22.715 1.781 715 HD3 PRO 93 2HD PRO 93 -7.488 -22.315 2.435 716 H ASN 94 H ASN 94 -4.093 -23.649 3.030 717 HA ASN 94 HA ASN 94 -1.883 -24.314 4.847 718 HB2 ASN 94 1HB ASN 94 -2.543 -25.846 2.314 719 HB3 ASN 94 2HB ASN 94 -1.162 -26.133 3.362 720 HD21 ASN 94 2HD2 ASN 94 -4.512 -26.667 2.835 721 HD22 ASN 94 1HD2 ASN 94 -4.782 -27.710 4.195 722 H THR 95 H THR 95 0.201 -23.822 4.022 723 HA THR 95 HA THR 95 0.313 -21.622 2.221 724 HB THR 95 HB THR 95 2.642 -23.364 3.043 725 HG1 THR 95 HG1 THR 95 1.682 -22.793 4.955 726 HG21 THR 95 3HG2 THR 95 3.130 -21.690 1.326 727 HG22 THR 95 1HG2 THR 95 3.915 -21.273 2.847 728 HG23 THR 95 2HG2 THR 95 2.449 -20.428 2.351 729 H ILE 96 H ILE 96 0.312 -25.008 1.834 730 HA ILE 96 HA ILE 96 1.567 -25.241 -0.693 731 HB ILE 96 HB ILE 96 -0.650 -26.987 0.402 732 HG12 ILE 96 1HG1 ILE 96 2.336 -27.230 0.850 733 HG13 ILE 96 2HG1 ILE 96 1.171 -26.701 2.059 734 HG21 ILE 96 1HG2 ILE 96 1.586 -27.567 -1.537 735 HG22 ILE 96 2HG2 ILE 96 -0.120 -27.377 -1.942 736 HG23 ILE 96 3HG2 ILE 96 0.405 -28.738 -0.950 737 HD11 ILE 96 3HD1 ILE 96 0.093 -28.890 1.971 738 HD12 ILE 96 1HD1 ILE 96 1.800 -29.018 2.394 739 HD13 ILE 96 2HD1 ILE 96 1.265 -29.416 0.762 740 H ALA 97 H ALA 97 -1.491 -24.085 0.363 741 HA ALA 97 HA ALA 97 -2.579 -24.143 -2.364 742 HB1 ALA 97 3HB ALA 97 -3.982 -23.642 0.261 743 HB2 ALA 97 1HB ALA 97 -3.998 -25.154 -0.645 744 HB3 ALA 97 2HB ALA 97 -4.752 -23.712 -1.324 745 H SER 98 H SER 98 -3.999 -22.166 -2.830 746 HA SER 98 HA SER 98 -3.139 -19.697 -1.571 747 HB2 SER 98 1HB SER 98 -2.735 -20.138 -4.546 748 HB3 SER 98 2HB SER 98 -2.395 -18.655 -3.655 749 HG SER 98 HG SER 98 -1.058 -20.452 -2.373 750 H GLY 99 H GLY 99 -4.300 -17.789 -2.835 751 HA2 GLY 99 1HA GLY 99 -7.090 -18.303 -2.743 752 HA3 GLY 99 2HA GLY 99 -6.331 -16.838 -3.345 753 H SER 100 H SER 100 -4.767 -18.396 -5.320 754 HA SER 100 HA SER 100 -6.863 -18.654 -7.328 755 HB2 SER 100 1HB SER 100 -4.801 -17.264 -7.754 756 HB3 SER 100 2HB SER 100 -3.858 -18.752 -7.713 757 HG SER 100 HG SER 100 -4.688 -19.371 -9.592 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.728 37.028 6.409 2 H2 MET 1 2H MET 1 -2.100 36.575 4.820 3 H3 MET 1 3H MET 1 -0.660 37.410 5.149 4 HA MET 1 HA MET 1 -0.185 35.103 4.778 5 HB2 MET 1 1HB MET 1 -0.003 35.779 7.727 6 HB3 MET 1 2HB MET 1 0.999 34.625 6.859 7 HG2 MET 1 1HG MET 1 2.083 36.339 5.643 8 HG3 MET 1 2HG MET 1 0.926 37.551 6.190 9 HE1 MET 1 3HE MET 1 2.711 39.254 7.003 10 HE2 MET 1 1HE MET 1 3.965 38.194 6.356 11 HE3 MET 1 2HE MET 1 4.105 38.826 7.996 12 H GLU 2 H GLU 2 -1.970 33.839 4.245 13 HA GLU 2 HA GLU 2 -3.534 32.793 6.515 14 HB2 GLU 2 1HB GLU 2 -4.356 32.795 3.607 15 HB3 GLU 2 2HB GLU 2 -5.350 32.365 4.988 16 HG2 GLU 2 1HG GLU 2 -6.096 34.476 4.426 17 HG3 GLU 2 2HG GLU 2 -4.975 34.790 5.750 18 H VAL 3 H VAL 3 -3.081 30.770 7.066 19 HA VAL 3 HA VAL 3 -2.126 28.949 4.958 20 HB VAL 3 HB VAL 3 -0.429 29.159 6.633 21 HG11 VAL 3 1HG1 VAL 3 -0.783 28.661 8.996 22 HG12 VAL 3 2HG1 VAL 3 -2.507 28.447 8.698 23 HG13 VAL 3 3HG1 VAL 3 -1.765 30.029 8.472 24 HG21 VAL 3 3HG2 VAL 3 -1.922 26.570 7.026 25 HG22 VAL 3 1HG2 VAL 3 -0.228 26.851 7.430 26 HG23 VAL 3 2HG2 VAL 3 -0.757 26.922 5.748 27 H GLN 4 H GLN 4 -3.891 27.981 4.183 28 HA GLN 4 HA GLN 4 -6.034 27.126 5.934 29 HB2 GLN 4 1HB GLN 4 -6.547 27.979 3.687 30 HB3 GLN 4 2HB GLN 4 -5.610 26.677 2.970 31 HG2 GLN 4 1HG GLN 4 -7.178 25.042 3.899 32 HG3 GLN 4 2HG GLN 4 -8.122 26.355 4.601 33 HE21 GLN 4 2HE2 GLN 4 -8.875 24.312 2.652 34 HE22 GLN 4 1HE2 GLN 4 -9.452 25.168 1.265 35 H SER 5 H SER 5 -5.714 25.388 7.149 36 HA SER 5 HA SER 5 -3.979 23.260 6.182 37 HB2 SER 5 1HB SER 5 -4.278 22.357 8.515 38 HB3 SER 5 2HB SER 5 -3.548 23.959 8.440 39 HG SER 5 HG SER 5 -5.497 24.864 9.053 40 H MET 6 H MET 6 -4.897 21.783 4.922 41 HA MET 6 HA MET 6 -7.682 21.152 5.025 42 HB2 MET 6 1HB MET 6 -5.385 19.713 3.674 43 HB3 MET 6 2HB MET 6 -7.084 19.328 3.437 44 HG2 MET 6 1HG MET 6 -5.759 21.944 2.756 45 HG3 MET 6 2HG MET 6 -6.194 20.677 1.614 46 HE1 MET 6 3HE MET 6 -10.109 20.718 1.814 47 HE2 MET 6 1HE MET 6 -8.986 19.694 2.709 48 HE3 MET 6 2HE MET 6 -8.707 20.026 0.999 49 H LEU 7 H LEU 7 -8.590 20.040 6.605 50 HA LEU 7 HA LEU 7 -7.123 18.569 8.517 51 HB2 LEU 7 1HB LEU 7 -10.088 18.560 7.954 52 HB3 LEU 7 2HB LEU 7 -9.328 17.896 9.389 53 HG LEU 7 HG LEU 7 -9.386 20.803 8.576 54 HD11 LEU 7 1HD1 LEU 7 -11.502 19.980 9.449 55 HD12 LEU 7 2HD1 LEU 7 -10.731 21.085 10.586 56 HD13 LEU 7 3HD1 LEU 7 -10.678 19.346 10.873 57 HD21 LEU 7 3HD2 LEU 7 -8.134 19.499 10.988 58 HD22 LEU 7 1HD2 LEU 7 -8.289 21.235 10.718 59 HD23 LEU 7 2HD2 LEU 7 -7.273 20.263 9.653 60 H LEU 8 H LEU 8 -6.799 16.422 8.791 61 HA LEU 8 HA LEU 8 -6.989 14.816 6.391 62 HB2 LEU 8 1HB LEU 8 -5.828 14.191 9.108 63 HB3 LEU 8 2HB LEU 8 -5.700 13.158 7.699 64 HG LEU 8 HG LEU 8 -4.524 15.929 7.942 65 HD11 LEU 8 1HD1 LEU 8 -3.207 13.217 7.982 66 HD12 LEU 8 2HD1 LEU 8 -3.379 14.307 9.358 67 HD13 LEU 8 3HD1 LEU 8 -2.373 14.771 7.985 68 HD21 LEU 8 3HD2 LEU 8 -4.301 13.860 5.761 69 HD22 LEU 8 1HD2 LEU 8 -3.388 15.365 5.842 70 HD23 LEU 8 2HD2 LEU 8 -5.141 15.407 5.655 71 H ASN 9 H ASN 9 -8.096 12.890 6.178 72 HA ASN 9 HA ASN 9 -10.225 12.440 8.160 73 HB2 ASN 9 1HB ASN 9 -10.925 13.055 5.820 74 HB3 ASN 9 2HB ASN 9 -10.178 11.564 5.257 75 HD21 ASN 9 2HD2 ASN 9 -12.108 10.747 4.494 76 HD22 ASN 9 1HD2 ASN 9 -13.359 10.185 5.554 77 H ASP 10 H ASP 10 -10.892 10.091 8.356 78 HA ASP 10 HA ASP 10 -8.571 8.310 8.029 79 HB2 ASP 10 1HB ASP 10 -8.552 8.950 10.351 80 HB3 ASP 10 2HB ASP 10 -10.279 8.633 10.503 81 H VAL 11 H VAL 11 -9.003 6.356 7.257 82 HA VAL 11 HA VAL 11 -11.679 5.248 7.514 83 HB VAL 11 HB VAL 11 -11.768 6.345 5.342 84 HG11 VAL 11 1HG1 VAL 11 -10.286 5.674 3.501 85 HG12 VAL 11 2HG1 VAL 11 -9.339 4.705 4.632 86 HG13 VAL 11 3HG1 VAL 11 -9.408 6.458 4.816 87 HG21 VAL 11 3HG2 VAL 11 -12.333 4.417 3.936 88 HG22 VAL 11 1HG2 VAL 11 -12.955 4.237 5.576 89 HG23 VAL 11 2HG2 VAL 11 -11.513 3.351 5.076 90 H LYS 12 H LYS 12 -11.649 3.105 7.910 91 HA LYS 12 HA LYS 12 -8.995 1.872 8.034 92 HB2 LYS 12 1HB LYS 12 -11.569 0.937 9.306 93 HB3 LYS 12 2HB LYS 12 -9.963 0.285 9.595 94 HG2 LYS 12 1HG LYS 12 -10.986 3.007 10.362 95 HG3 LYS 12 2HG LYS 12 -10.576 1.674 11.439 96 HD2 LYS 12 1HD LYS 12 -8.223 1.835 10.620 97 HD3 LYS 12 2HD LYS 12 -8.689 3.280 9.720 98 HE2 LYS 12 1HE LYS 12 -9.508 4.218 11.923 99 HE3 LYS 12 2HE LYS 12 -8.683 2.868 12.698 100 HZ1 LYS 12 3HZ LYS 12 -7.265 4.775 12.705 101 HZ2 LYS 12 1HZ LYS 12 -7.442 4.990 11.033 102 HZ3 LYS 12 2HZ LYS 12 -6.612 3.632 11.632 103 H TRP 13 H TRP 13 -8.970 -0.544 7.662 104 HA TRP 13 HA TRP 13 -10.372 -1.070 5.143 105 HB2 TRP 13 1HB TRP 13 -7.705 -1.663 6.130 106 HB3 TRP 13 2HB TRP 13 -8.509 -3.103 5.502 107 HD1 TRP 13 HD1 TRP 13 -10.068 -1.953 3.083 108 HE1 TRP 13 HE1 TRP 13 -8.841 -1.043 1.022 109 HE3 TRP 13 HE3 TRP 13 -5.523 -1.003 5.221 110 HZ2 TRP 13 HZ2 TRP 13 -6.265 -0.056 0.384 111 HZ3 TRP 13 HZ3 TRP 13 -3.730 -0.080 3.813 112 HH2 TRP 13 HH2 TRP 13 -4.095 0.383 1.445 113 H GLU 14 H GLU 14 -11.671 -2.761 4.852 114 HA GLU 14 HA GLU 14 -12.796 -3.996 7.183 115 HB2 GLU 14 1HB GLU 14 -13.325 -4.603 4.268 116 HB3 GLU 14 2HB GLU 14 -14.341 -5.061 5.629 117 HG2 GLU 14 1HG GLU 14 -13.781 -2.265 4.668 118 HG3 GLU 14 2HG GLU 14 -15.288 -3.163 4.483 119 H LYS 15 H LYS 15 -10.632 -4.934 4.619 120 HA LYS 15 HA LYS 15 -10.041 -7.402 6.096 121 HB2 LYS 15 1HB LYS 15 -10.076 -6.991 3.099 122 HB3 LYS 15 2HB LYS 15 -9.374 -8.400 3.883 123 HG2 LYS 15 1HG LYS 15 -11.508 -9.058 4.749 124 HG3 LYS 15 2HG LYS 15 -12.250 -7.564 4.177 125 HD2 LYS 15 1HD LYS 15 -12.823 -9.356 2.679 126 HD3 LYS 15 2HD LYS 15 -11.730 -8.245 1.855 127 HE2 LYS 15 1HE LYS 15 -11.114 -10.524 1.356 128 HE3 LYS 15 2HE LYS 15 -9.857 -9.770 2.335 129 HZ1 LYS 15 3HZ LYS 15 -11.979 -11.359 3.627 130 HZ2 LYS 15 1HZ LYS 15 -10.400 -11.042 4.166 131 HZ3 LYS 15 2HZ LYS 15 -10.658 -12.137 2.900 132 HA PRO 16 HA PRO 16 -6.379 -4.888 6.755 133 HB2 PRO 16 1HB PRO 16 -5.477 -7.558 7.742 134 HB3 PRO 16 2HB PRO 16 -5.326 -5.968 8.500 135 HG2 PRO 16 1HG PRO 16 -7.167 -7.680 9.340 136 HG3 PRO 16 2HG PRO 16 -7.539 -5.951 9.205 137 HD2 PRO 16 1HD PRO 16 -8.354 -8.211 7.440 138 HD3 PRO 16 2HD PRO 16 -9.245 -6.739 7.878 139 H VAL 17 H VAL 17 -4.546 -4.546 5.646 140 HA VAL 17 HA VAL 17 -3.872 -6.509 3.563 141 HB VAL 17 HB VAL 17 -3.188 -3.565 3.663 142 HG11 VAL 17 1HG1 VAL 17 -2.868 -5.596 1.452 143 HG12 VAL 17 2HG1 VAL 17 -1.566 -4.870 2.397 144 HG13 VAL 17 3HG1 VAL 17 -2.537 -3.867 1.317 145 HG21 VAL 17 3HG2 VAL 17 -5.585 -3.908 3.394 146 HG22 VAL 17 1HG2 VAL 17 -5.290 -5.012 2.052 147 HG23 VAL 17 2HG2 VAL 17 -4.869 -3.307 1.899 148 H THR 18 H THR 18 -2.137 -7.685 3.918 149 HA THR 18 HA THR 18 -0.126 -6.800 5.840 150 HB THR 18 HB THR 18 -0.218 -9.469 4.435 151 HG1 THR 18 HG1 THR 18 -1.999 -9.866 5.501 152 HG21 THR 18 3HG2 THR 18 0.895 -10.232 6.500 153 HG22 THR 18 1HG2 THR 18 0.874 -8.576 7.107 154 HG23 THR 18 2HG2 THR 18 1.820 -8.978 5.674 155 H ILE 19 H ILE 19 1.505 -5.600 4.987 156 HA ILE 19 HA ILE 19 2.448 -6.251 2.296 157 HB ILE 19 HB ILE 19 2.095 -3.855 2.867 158 HG12 ILE 19 1HG1 ILE 19 4.987 -4.535 2.309 159 HG13 ILE 19 2HG1 ILE 19 3.698 -4.535 1.108 160 HG21 ILE 19 1HG2 ILE 19 4.371 -4.285 4.790 161 HG22 ILE 19 2HG2 ILE 19 2.723 -3.790 5.180 162 HG23 ILE 19 3HG2 ILE 19 3.780 -2.705 4.273 163 HD11 ILE 19 3HD1 ILE 19 5.023 -2.507 0.991 164 HD12 ILE 19 1HD1 ILE 19 4.648 -2.153 2.677 165 HD13 ILE 19 2HD1 ILE 19 3.364 -2.150 1.469 166 H SER 20 H SER 20 4.173 -7.495 1.974 167 HA SER 20 HA SER 20 5.621 -8.394 4.335 168 HB2 SER 20 1HB SER 20 4.580 -9.952 2.537 169 HB3 SER 20 2HB SER 20 5.988 -9.525 1.569 170 HG SER 20 HG SER 20 7.273 -10.585 2.926 171 H LEU 21 H LEU 21 7.165 -6.958 4.810 172 HA LEU 21 HA LEU 21 8.764 -5.694 2.787 173 HB2 LEU 21 1HB LEU 21 9.135 -5.766 5.787 174 HB3 LEU 21 2HB LEU 21 9.951 -4.686 4.670 175 HG LEU 21 HG LEU 21 6.979 -4.722 5.212 176 HD11 LEU 21 1HD1 LEU 21 7.382 -2.528 6.249 177 HD12 LEU 21 2HD1 LEU 21 9.118 -2.767 6.040 178 HD13 LEU 21 3HD1 LEU 21 8.205 -3.837 7.102 179 HD21 LEU 21 3HD2 LEU 21 7.513 -4.079 2.914 180 HD22 LEU 21 1HD2 LEU 21 8.638 -2.863 3.516 181 HD23 LEU 21 2HD2 LEU 21 6.912 -2.704 3.843 182 H GLN 22 H GLN 22 10.942 -6.051 2.369 183 HA GLN 22 HA GLN 22 11.607 -8.742 2.082 184 HB2 GLN 22 1HB GLN 22 12.431 -6.963 0.606 185 HB3 GLN 22 2HB GLN 22 13.434 -6.341 1.910 186 HG2 GLN 22 1HG GLN 22 14.670 -8.468 1.942 187 HG3 GLN 22 2HG GLN 22 13.694 -9.033 0.590 188 HE21 GLN 22 2HE2 GLN 22 16.568 -8.643 0.818 189 HE22 GLN 22 1HE2 GLN 22 17.003 -7.538 -0.446 190 H ASN 23 H ASN 23 12.334 -6.535 4.667 191 HA ASN 23 HA ASN 23 14.504 -8.065 5.739 192 HB2 ASN 23 1HB ASN 23 12.809 -5.934 7.059 193 HB3 ASN 23 2HB ASN 23 14.305 -6.594 7.709 194 HD21 ASN 23 2HD2 ASN 23 16.274 -6.141 6.620 195 HD22 ASN 23 1HD2 ASN 23 16.414 -4.750 5.590 196 H GLY 24 H GLY 24 11.313 -8.749 5.515 197 HA2 GLY 24 1HA GLY 24 10.338 -10.711 6.347 198 HA3 GLY 24 2HA GLY 24 11.539 -10.743 7.630 199 H ALA 25 H ALA 25 9.542 -7.988 6.752 200 HA ALA 25 HA ALA 25 8.233 -8.222 9.376 201 HB1 ALA 25 3HB ALA 25 8.211 -5.805 9.530 202 HB2 ALA 25 1HB ALA 25 8.964 -5.671 7.941 203 HB3 ALA 25 2HB ALA 25 9.862 -6.373 9.286 204 HA PRO 26 HA PRO 26 4.656 -8.151 6.567 205 HB2 PRO 26 1HB PRO 26 3.279 -9.599 8.655 206 HB3 PRO 26 2HB PRO 26 3.727 -10.163 7.044 207 HG2 PRO 26 1HG PRO 26 4.844 -11.121 9.350 208 HG3 PRO 26 2HG PRO 26 5.669 -11.123 7.782 209 HD2 PRO 26 1HD PRO 26 5.963 -9.218 10.077 210 HD3 PRO 26 2HD PRO 26 7.213 -9.914 9.021 211 H ARG 27 H ARG 27 4.210 -5.975 6.823 212 HA ARG 27 HA ARG 27 3.205 -5.034 9.389 213 HB2 ARG 27 1HB ARG 27 4.820 -3.746 7.808 214 HB3 ARG 27 2HB ARG 27 3.366 -3.362 6.899 215 HG2 ARG 27 1HG ARG 27 2.398 -2.345 8.921 216 HG3 ARG 27 2HG ARG 27 3.903 -2.678 9.781 217 HD2 ARG 27 1HD ARG 27 5.031 -1.369 7.872 218 HD3 ARG 27 2HD ARG 27 3.409 -0.783 7.508 219 HE ARG 27 HE ARG 27 4.792 -0.353 10.088 220 HH11 ARG 27 1HH1 ARG 27 2.494 0.667 7.650 221 HH12 ARG 27 2HH1 ARG 27 2.275 2.242 8.335 222 HH21 ARG 27 1HH2 ARG 27 4.520 1.741 10.969 223 HH22 ARG 27 2HH2 ARG 27 3.417 2.850 10.212 224 H ILE 28 H ILE 28 1.143 -5.345 9.831 225 HA ILE 28 HA ILE 28 -0.786 -5.738 7.697 226 HB ILE 28 HB ILE 28 -1.138 -5.914 10.696 227 HG12 ILE 28 1HG1 ILE 28 -0.803 -8.100 8.627 228 HG13 ILE 28 2HG1 ILE 28 0.432 -7.592 9.774 229 HG21 ILE 28 1HG2 ILE 28 -2.956 -6.806 8.460 230 HG22 ILE 28 2HG2 ILE 28 -3.230 -5.433 9.530 231 HG23 ILE 28 3HG2 ILE 28 -3.229 -7.071 10.181 232 HD11 ILE 28 3HD1 ILE 28 -0.986 -8.322 11.619 233 HD12 ILE 28 1HD1 ILE 28 -0.657 -9.636 10.491 234 HD13 ILE 28 2HD1 ILE 28 -2.223 -8.827 10.469 235 H PHE 29 H PHE 29 -1.632 -3.972 6.819 236 HA PHE 29 HA PHE 29 -1.944 -1.534 8.334 237 HB2 PHE 29 1HB PHE 29 -2.796 -2.217 5.513 238 HB3 PHE 29 2HB PHE 29 -2.868 -0.613 6.233 239 HD1 PHE 29 HD2 PHE 29 -0.485 0.037 7.388 240 HD2 PHE 29 HD1 PHE 29 -1.068 -2.555 4.065 241 HE1 PHE 29 HE2 PHE 29 1.815 0.480 6.644 242 HE2 PHE 29 HE1 PHE 29 1.235 -2.115 3.317 243 HZ PHE 29 HZ PHE 29 2.681 -0.595 4.610 244 H ASN 30 H ASN 30 -3.605 -1.155 9.598 245 HA ASN 30 HA ASN 30 -6.079 -2.664 9.277 246 HB2 ASN 30 1HB ASN 30 -5.132 -0.723 11.397 247 HB3 ASN 30 2HB ASN 30 -6.726 -1.471 11.403 248 HD21 ASN 30 2HD2 ASN 30 -4.413 -1.638 13.249 249 HD22 ASN 30 1HD2 ASN 30 -4.099 -3.329 13.427 250 H GLY 31 H GLY 31 -4.726 0.364 8.492 251 HA2 GLY 31 1HA GLY 31 -7.358 1.286 7.578 252 HA3 GLY 31 2HA GLY 31 -6.370 2.360 8.561 253 H VAL 32 H VAL 32 -7.285 2.878 5.924 254 HA VAL 32 HA VAL 32 -5.293 2.273 3.998 255 HB VAL 32 HB VAL 32 -7.257 4.563 3.879 256 HG11 VAL 32 1HG1 VAL 32 -5.567 4.648 2.160 257 HG12 VAL 32 2HG1 VAL 32 -7.110 4.176 1.447 258 HG13 VAL 32 3HG1 VAL 32 -5.865 2.961 1.739 259 HG21 VAL 32 3HG2 VAL 32 -8.461 2.520 4.429 260 HG22 VAL 32 1HG2 VAL 32 -7.685 1.686 3.081 261 HG23 VAL 32 2HG2 VAL 32 -8.800 3.018 2.771 262 H TYR 33 H TYR 33 -5.727 4.856 6.311 263 HA TYR 33 HA TYR 33 -3.921 6.697 5.169 264 HB2 TYR 33 1HB TYR 33 -5.546 7.332 6.925 265 HB3 TYR 33 2HB TYR 33 -4.640 6.373 8.094 266 HD1 TYR 33 HD1 TYR 33 -4.574 9.398 5.998 267 HD2 TYR 33 HD2 TYR 33 -2.579 7.186 9.035 268 HE1 TYR 33 HE1 TYR 33 -3.098 11.317 6.419 269 HE2 TYR 33 HE2 TYR 33 -1.104 9.103 9.470 270 HH TYR 33 HH TYR 33 -0.252 11.109 8.065 271 H GLU 34 H GLU 34 -3.495 3.991 7.386 272 HA GLU 34 HA GLU 34 -0.838 4.521 8.147 273 HB2 GLU 34 1HB GLU 34 -2.193 1.836 7.866 274 HB3 GLU 34 2HB GLU 34 -0.721 2.159 8.773 275 HG2 GLU 34 1HG GLU 34 -2.002 3.661 10.243 276 HG3 GLU 34 2HG GLU 34 -3.471 3.215 9.375 277 H ALA 35 H ALA 35 -2.225 2.788 5.435 278 HA ALA 35 HA ALA 35 0.182 1.781 4.364 279 HB1 ALA 35 3HB ALA 35 -1.094 1.375 2.348 280 HB2 ALA 35 1HB ALA 35 -2.363 2.474 2.894 281 HB3 ALA 35 2HB ALA 35 -2.076 0.963 3.758 282 H PHE 36 H PHE 36 -1.716 4.686 3.637 283 HA PHE 36 HA PHE 36 -0.049 5.833 1.718 284 HB2 PHE 36 1HB PHE 36 -2.327 6.628 2.242 285 HB3 PHE 36 2HB PHE 36 -1.762 7.213 3.802 286 HD1 PHE 36 HD2 PHE 36 -1.530 7.709 0.158 287 HD2 PHE 36 HD1 PHE 36 -0.684 9.307 4.008 288 HE1 PHE 36 HE2 PHE 36 -0.991 9.881 -0.866 289 HE2 PHE 36 HE1 PHE 36 -0.147 11.481 2.994 290 HZ PHE 36 HZ PHE 36 -0.301 11.771 0.555 291 H ASP 37 H ASP 37 -0.099 6.252 5.232 292 HA ASP 37 HA ASP 37 1.969 8.103 5.488 293 HB2 ASP 37 1HB ASP 37 0.414 7.484 7.306 294 HB3 ASP 37 2HB ASP 37 1.176 5.901 7.410 295 H PHE 38 H PHE 38 2.089 4.558 5.665 296 HA PHE 38 HA PHE 38 4.811 4.299 6.224 297 HB2 PHE 38 1HB PHE 38 3.249 2.453 6.484 298 HB3 PHE 38 2HB PHE 38 2.967 2.412 4.748 299 HD1 PHE 38 HD1 PHE 38 5.806 2.229 7.159 300 HD2 PHE 38 HD2 PHE 38 4.089 0.825 3.523 301 HE1 PHE 38 HE1 PHE 38 7.658 0.630 6.905 302 HE2 PHE 38 HE2 PHE 38 5.938 -0.774 3.264 303 HZ PHE 38 HZ PHE 38 7.725 -0.874 4.956 304 H LEU 39 H LEU 39 3.122 4.420 3.121 305 HA LEU 39 HA LEU 39 5.260 3.713 1.471 306 HB2 LEU 39 1HB LEU 39 2.919 5.525 0.900 307 HB3 LEU 39 2HB LEU 39 4.002 4.886 -0.322 308 HG LEU 39 HG LEU 39 2.281 3.178 1.476 309 HD11 LEU 39 1HD1 LEU 39 0.886 4.530 0.020 310 HD12 LEU 39 2HD1 LEU 39 0.882 2.848 -0.513 311 HD13 LEU 39 3HD1 LEU 39 1.844 4.046 -1.378 312 HD21 LEU 39 3HD2 LEU 39 2.830 1.410 -0.111 313 HD22 LEU 39 1HD2 LEU 39 4.285 2.062 0.640 314 HD23 LEU 39 2HD2 LEU 39 3.861 2.523 -1.007 315 H GLN 40 H GLN 40 4.364 6.852 2.815 316 HA GLN 40 HA GLN 40 6.528 8.113 1.320 317 HB2 GLN 40 1HB GLN 40 4.285 9.216 2.990 318 HB3 GLN 40 2HB GLN 40 5.631 10.224 2.468 319 HG2 GLN 40 1HG GLN 40 5.118 9.678 0.133 320 HG3 GLN 40 2HG GLN 40 3.753 8.703 0.671 321 HE21 GLN 40 2HE2 GLN 40 3.890 11.094 -1.055 322 HE22 GLN 40 1HE2 GLN 40 2.811 12.240 -0.322 323 H HIS 41 H HIS 41 6.035 6.677 4.331 324 HA HIS 41 HA HIS 41 7.996 8.239 5.760 325 HB2 HIS 41 1HB HIS 41 6.307 5.872 6.360 326 HB3 HIS 41 2HB HIS 41 7.825 6.001 7.242 327 HD1 HIS 41 HD1 HIS 41 6.828 6.549 9.494 328 HD2 HIS 41 HD2 HIS 41 5.570 9.134 6.488 329 HE1 HIS 41 HE1 HIS 41 5.656 8.440 10.670 330 HE2 HIS 41 HE2 HIS 41 4.696 9.849 8.818 331 H GLU 42 H GLU 42 7.870 4.831 4.764 332 HA GLU 42 HA GLU 42 10.488 5.001 3.624 333 HB2 GLU 42 1HB GLU 42 11.125 4.671 5.961 334 HB3 GLU 42 2HB GLU 42 10.084 3.254 6.059 335 HG2 GLU 42 1HG GLU 42 11.443 2.067 4.490 336 HG3 GLU 42 2HG GLU 42 12.412 3.503 4.173 337 H TRP 43 H TRP 43 9.647 4.298 1.778 338 HA TRP 43 HA TRP 43 8.417 1.645 1.696 339 HB2 TRP 43 1HB TRP 43 7.258 3.305 0.412 340 HB3 TRP 43 2HB TRP 43 8.747 3.855 -0.338 341 HD1 TRP 43 HD1 TRP 43 9.230 2.953 -2.653 342 HE1 TRP 43 HE1 TRP 43 8.274 1.101 -4.148 343 HE3 TRP 43 HE3 TRP 43 6.135 0.657 0.752 344 HZ2 TRP 43 HZ2 TRP 43 6.468 -1.044 -3.928 345 HZ3 TRP 43 HZ3 TRP 43 4.840 -1.289 0.003 346 HH2 TRP 43 HH2 TRP 43 5.002 -2.122 -2.282 347 HA PRO 44 HA PRO 44 12.782 0.611 0.978 348 HB2 PRO 44 1HB PRO 44 12.673 -1.918 1.895 349 HB3 PRO 44 2HB PRO 44 12.703 -0.526 2.983 350 HG2 PRO 44 1HG PRO 44 10.383 -2.197 2.107 351 HG3 PRO 44 2HG PRO 44 10.753 -1.550 3.715 352 HD2 PRO 44 1HD PRO 44 8.954 -0.414 1.989 353 HD3 PRO 44 2HD PRO 44 9.831 0.489 3.237 354 H ALA 45 H ALA 45 9.931 -0.844 -0.269 355 HA ALA 45 HA ALA 45 11.345 -2.624 -2.069 356 HB1 ALA 45 3HB ALA 45 9.228 -3.335 -1.051 357 HB2 ALA 45 1HB ALA 45 9.132 -3.308 -2.813 358 HB3 ALA 45 2HB ALA 45 8.397 -2.011 -1.869 359 H ARG 46 H ARG 46 9.766 -2.401 -4.357 360 HA ARG 46 HA ARG 46 10.283 0.330 -5.288 361 HB2 ARG 46 1HB ARG 46 11.130 -2.181 -6.753 362 HB3 ARG 46 2HB ARG 46 11.337 -0.528 -7.323 363 HG2 ARG 46 1HG ARG 46 12.851 -0.045 -5.503 364 HG3 ARG 46 2HG ARG 46 12.585 -1.650 -4.824 365 HD2 ARG 46 1HD ARG 46 13.495 -2.593 -6.964 366 HD3 ARG 46 2HD ARG 46 13.945 -0.947 -7.413 367 HE ARG 46 HE ARG 46 14.949 -1.602 -4.841 368 HH11 ARG 46 1HH1 ARG 46 15.540 -2.060 -8.263 369 HH12 ARG 46 2HH1 ARG 46 17.223 -2.468 -8.051 370 HH21 ARG 46 1HH2 ARG 46 17.156 -2.131 -4.547 371 HH22 ARG 46 2HH2 ARG 46 18.134 -2.524 -5.932 372 H GLY 47 H GLY 47 9.348 0.530 -7.645 373 HA2 GLY 47 1HA GLY 47 7.310 -0.953 -8.677 374 HA3 GLY 47 2HA GLY 47 6.545 -0.104 -7.342 375 H ASP 48 H ASP 48 8.165 2.270 -7.591 376 HA ASP 48 HA ASP 48 8.493 4.177 -8.769 377 HB2 ASP 48 1HB ASP 48 9.358 2.744 -10.584 378 HB3 ASP 48 2HB ASP 48 7.725 2.540 -11.202 379 H ARG 49 H ARG 49 6.165 3.522 -11.232 380 HA ARG 49 HA ARG 49 4.402 5.492 -10.136 381 HB2 ARG 49 1HB ARG 49 4.250 3.759 -12.592 382 HB3 ARG 49 2HB ARG 49 2.951 4.853 -12.130 383 HG2 ARG 49 1HG ARG 49 4.553 6.729 -12.200 384 HG3 ARG 49 2HG ARG 49 5.793 5.609 -12.766 385 HD2 ARG 49 1HD ARG 49 3.181 6.148 -14.172 386 HD3 ARG 49 2HD ARG 49 4.722 6.895 -14.588 387 HE ARG 49 HE ARG 49 5.221 4.210 -14.688 388 HH11 ARG 49 1HH1 ARG 49 2.864 6.324 -16.166 389 HH12 ARG 49 2HH1 ARG 49 2.795 5.435 -17.659 390 HH21 ARG 49 1HH2 ARG 49 5.106 2.993 -16.640 391 HH22 ARG 49 2HH2 ARG 49 4.068 3.536 -17.918 392 H ALA 50 H ALA 50 4.622 2.047 -10.028 393 HA ALA 50 HA ALA 50 1.963 1.499 -9.203 394 HB1 ALA 50 3HB ALA 50 4.513 0.038 -8.500 395 HB2 ALA 50 1HB ALA 50 3.498 -0.273 -9.907 396 HB3 ALA 50 2HB ALA 50 2.875 -0.581 -8.286 397 H HIS 51 H HIS 51 4.854 2.590 -7.587 398 HA HIS 51 HA HIS 51 3.892 2.503 -4.929 399 HB2 HIS 51 1HB HIS 51 6.252 2.718 -5.266 400 HB3 HIS 51 2HB HIS 51 6.047 4.135 -6.285 401 HD1 HIS 51 HD1 HIS 51 5.701 3.102 -2.656 402 HD2 HIS 51 HD2 HIS 51 6.175 6.521 -4.969 403 HE1 HIS 51 HE1 HIS 51 6.055 4.979 -1.022 404 HE2 HIS 51 HE2 HIS 51 6.478 7.013 -2.444 405 H GLU 52 H GLU 52 3.902 4.995 -7.439 406 HA GLU 52 HA GLU 52 2.669 7.005 -5.879 407 HB2 GLU 52 1HB GLU 52 2.650 6.639 -8.875 408 HB3 GLU 52 2HB GLU 52 2.166 8.102 -8.026 409 HG2 GLU 52 1HG GLU 52 4.535 8.031 -7.018 410 HG3 GLU 52 2HG GLU 52 4.889 6.918 -8.339 411 H GLN 53 H GLN 53 1.321 4.585 -8.102 412 HA GLN 53 HA GLN 53 -1.346 5.361 -8.024 413 HB2 GLN 53 1HB GLN 53 -0.088 2.636 -8.279 414 HB3 GLN 53 2HB GLN 53 -1.822 2.893 -8.417 415 HG2 GLN 53 1HG GLN 53 -1.498 4.325 -10.325 416 HG3 GLN 53 2HG GLN 53 0.253 4.218 -10.146 417 HE21 GLN 53 2HE2 GLN 53 -1.534 3.485 -12.362 418 HE22 GLN 53 1HE2 GLN 53 -1.188 1.824 -12.711 419 H ALA 54 H ALA 54 0.430 3.226 -5.827 420 HA ALA 54 HA ALA 54 -1.682 2.511 -4.153 421 HB1 ALA 54 3HB ALA 54 1.217 2.917 -3.415 422 HB2 ALA 54 1HB ALA 54 0.514 1.438 -4.069 423 HB3 ALA 54 2HB ALA 54 0.026 2.016 -2.476 424 H LEU 55 H LEU 55 0.606 5.224 -3.862 425 HA LEU 55 HA LEU 55 -0.456 6.387 -1.551 426 HB2 LEU 55 1HB LEU 55 1.042 7.530 -3.894 427 HB3 LEU 55 2HB LEU 55 0.534 8.533 -2.548 428 HG LEU 55 HG LEU 55 2.295 6.106 -2.224 429 HD11 LEU 55 1HD1 LEU 55 4.147 7.706 -2.024 430 HD12 LEU 55 2HD1 LEU 55 3.057 9.012 -2.488 431 HD13 LEU 55 3HD1 LEU 55 3.430 7.726 -3.635 432 HD21 LEU 55 3HD2 LEU 55 2.807 7.159 -0.067 433 HD22 LEU 55 1HD2 LEU 55 1.091 6.780 -0.221 434 HD23 LEU 55 2HD2 LEU 55 1.650 8.441 -0.427 435 H ARG 56 H ARG 56 -1.107 7.122 -4.954 436 HA ARG 56 HA ARG 56 -2.899 9.209 -4.608 437 HB2 ARG 56 1HB ARG 56 -1.893 8.583 -6.760 438 HB3 ARG 56 2HB ARG 56 -2.868 7.121 -6.793 439 HG2 ARG 56 1HG ARG 56 -4.892 8.442 -6.930 440 HG3 ARG 56 2HG ARG 56 -3.948 9.929 -6.819 441 HD2 ARG 56 1HD ARG 56 -2.803 9.345 -8.906 442 HD3 ARG 56 2HD ARG 56 -3.767 7.875 -9.020 443 HE ARG 56 HE ARG 56 -5.671 9.740 -8.887 444 HH11 ARG 56 1HH1 ARG 56 -2.750 9.575 -10.826 445 HH12 ARG 56 2HH1 ARG 56 -3.427 10.493 -12.136 446 HH21 ARG 56 1HH2 ARG 56 -6.557 10.931 -10.610 447 HH22 ARG 56 2HH2 ARG 56 -5.593 11.257 -12.024 448 H LEU 57 H LEU 57 -3.567 5.727 -4.881 449 HA LEU 57 HA LEU 57 -6.383 6.017 -4.685 450 HB2 LEU 57 1HB LEU 57 -4.608 3.625 -4.215 451 HB3 LEU 57 2HB LEU 57 -6.360 3.561 -4.268 452 HG LEU 57 HG LEU 57 -4.580 4.407 -6.556 453 HD11 LEU 57 1HD1 LEU 57 -4.412 2.023 -6.067 454 HD12 LEU 57 2HD1 LEU 57 -5.265 2.308 -7.584 455 HD13 LEU 57 3HD1 LEU 57 -6.169 1.882 -6.131 456 HD21 LEU 57 3HD2 LEU 57 -7.563 3.970 -6.443 457 HD22 LEU 57 1HD2 LEU 57 -6.623 4.360 -7.884 458 HD23 LEU 57 2HD2 LEU 57 -6.753 5.532 -6.572 459 H CYS 58 H CYS 58 -3.841 5.402 -2.298 460 HA CYS 58 HA CYS 58 -5.521 4.886 -0.110 461 HB2 CYS 58 1HB CYS 58 -2.770 6.128 -0.212 462 HB3 CYS 58 2HB CYS 58 -3.585 5.679 1.283 463 HG CYS 58 HG CYS 58 -2.415 3.622 -1.167 464 H ARG 59 H ARG 59 -4.209 7.957 -1.341 465 HA ARG 59 HA ARG 59 -5.448 9.520 0.690 466 HB2 ARG 59 1HB ARG 59 -3.481 10.308 -0.579 467 HB3 ARG 59 2HB ARG 59 -4.468 10.396 -2.033 468 HG2 ARG 59 1HG ARG 59 -5.757 12.171 -1.174 469 HG3 ARG 59 2HG ARG 59 -5.138 11.929 0.460 470 HD2 ARG 59 1HD ARG 59 -4.107 13.877 -0.515 471 HD3 ARG 59 2HD ARG 59 -2.903 12.608 -0.313 472 HE ARG 59 HE ARG 59 -2.936 12.257 -2.681 473 HH11 ARG 59 1HH1 ARG 59 -4.761 15.048 -1.586 474 HH12 ARG 59 2HH1 ARG 59 -4.647 15.883 -3.110 475 HH21 ARG 59 1HH2 ARG 59 -2.799 13.359 -4.701 476 HH22 ARG 59 2HH2 ARG 59 -3.529 14.925 -4.865 477 H ALA 60 H ALA 60 -6.425 8.471 -2.525 478 HA ALA 60 HA ALA 60 -8.757 10.084 -2.686 479 HB1 ALA 60 3HB ALA 60 -7.757 9.074 -4.663 480 HB2 ALA 60 1HB ALA 60 -9.440 8.578 -4.489 481 HB3 ALA 60 2HB ALA 60 -8.142 7.466 -4.051 482 H SER 61 H SER 61 -8.058 6.995 -1.204 483 HA SER 61 HA SER 61 -10.753 6.277 -0.641 484 HB2 SER 61 1HB SER 61 -8.224 5.497 0.831 485 HB3 SER 61 2HB SER 61 -9.785 4.687 0.952 486 HG SER 61 HG SER 61 -8.083 4.853 -1.317 487 H LEU 62 H LEU 62 -8.292 8.172 1.011 488 HA LEU 62 HA LEU 62 -9.730 8.629 3.407 489 HB2 LEU 62 1HB LEU 62 -7.640 10.343 2.059 490 HB3 LEU 62 2HB LEU 62 -8.201 10.545 3.707 491 HG LEU 62 HG LEU 62 -6.769 8.097 2.670 492 HD11 LEU 62 1HD1 LEU 62 -5.753 10.368 4.372 493 HD12 LEU 62 2HD1 LEU 62 -5.311 10.054 2.694 494 HD13 LEU 62 3HD1 LEU 62 -4.860 8.906 3.955 495 HD21 LEU 62 3HD2 LEU 62 -8.273 7.622 4.534 496 HD22 LEU 62 1HD2 LEU 62 -7.534 8.923 5.468 497 HD23 LEU 62 2HD2 LEU 62 -6.585 7.500 5.035 498 H MET 63 H MET 63 -9.770 10.081 0.250 499 HA MET 63 HA MET 63 -11.389 12.336 0.923 500 HB2 MET 63 1HB MET 63 -10.879 10.970 -1.728 501 HB3 MET 63 2HB MET 63 -11.753 12.485 -1.544 502 HG2 MET 63 1HG MET 63 -9.784 13.579 -0.711 503 HG3 MET 63 2HG MET 63 -8.896 12.057 -0.700 504 HE1 MET 63 3HE MET 63 -11.419 13.242 -3.472 505 HE2 MET 63 1HE MET 63 -10.348 14.103 -4.579 506 HE3 MET 63 2HE MET 63 -10.658 14.752 -2.970 507 H GLY 64 H GLY 64 -11.999 9.030 0.613 508 HA2 GLY 64 1HA GLY 64 -14.009 7.966 1.136 509 HA3 GLY 64 2HA GLY 64 -14.851 9.492 0.909 510 H ASP 65 H ASP 65 -12.713 8.738 -1.622 511 HA ASP 65 HA ASP 65 -14.996 8.242 -3.363 512 HB2 ASP 65 1HB ASP 65 -12.196 9.164 -3.794 513 HB3 ASP 65 2HB ASP 65 -13.029 8.371 -5.128 514 H VAL 66 H VAL 66 -11.844 6.760 -2.660 515 HA VAL 66 HA VAL 66 -12.511 4.473 -4.305 516 HB VAL 66 HB VAL 66 -10.084 5.035 -2.593 517 HG11 VAL 66 1HG1 VAL 66 -10.382 2.644 -2.737 518 HG12 VAL 66 2HG1 VAL 66 -9.051 3.125 -3.790 519 HG13 VAL 66 3HG1 VAL 66 -10.629 2.746 -4.482 520 HG21 VAL 66 3HG2 VAL 66 -8.952 5.340 -4.753 521 HG22 VAL 66 1HG2 VAL 66 -10.261 6.499 -4.516 522 HG23 VAL 66 2HG2 VAL 66 -10.494 5.112 -5.578 523 H ALA 67 H ALA 67 -13.394 2.663 -3.622 524 HA ALA 67 HA ALA 67 -14.208 2.351 -0.898 525 HB1 ALA 67 3HB ALA 67 -14.402 0.393 -3.185 526 HB2 ALA 67 1HB ALA 67 -15.610 1.610 -2.778 527 HB3 ALA 67 2HB ALA 67 -15.264 0.299 -1.651 528 H GLY 68 H GLY 68 -13.729 0.476 0.405 529 HA2 GLY 68 1HA GLY 68 -11.014 0.230 0.908 530 HA3 GLY 68 2HA GLY 68 -12.246 -0.851 1.536 531 H GLU 69 H GLU 69 -13.117 -1.980 -0.898 532 HA GLU 69 HA GLU 69 -11.229 -4.060 -1.148 533 HB2 GLU 69 1HB GLU 69 -13.488 -3.390 -3.039 534 HB3 GLU 69 2HB GLU 69 -12.677 -4.943 -2.884 535 HG2 GLU 69 1HG GLU 69 -13.548 -5.166 -0.612 536 HG3 GLU 69 2HG GLU 69 -14.363 -3.611 -0.776 537 H ILE 70 H ILE 70 -12.142 -1.435 -3.350 538 HA ILE 70 HA ILE 70 -10.507 -2.088 -5.499 539 HB ILE 70 HB ILE 70 -11.251 0.694 -4.579 540 HG12 ILE 70 1HG1 ILE 70 -12.685 -1.159 -6.496 541 HG13 ILE 70 2HG1 ILE 70 -13.209 -0.801 -4.855 542 HG21 ILE 70 1HG2 ILE 70 -10.401 -0.338 -7.282 543 HG22 ILE 70 2HG2 ILE 70 -9.482 0.737 -6.228 544 HG23 ILE 70 3HG2 ILE 70 -10.992 1.290 -6.955 545 HD11 ILE 70 3HD1 ILE 70 -13.006 1.159 -7.129 546 HD12 ILE 70 1HD1 ILE 70 -13.487 1.555 -5.479 547 HD13 ILE 70 2HD1 ILE 70 -14.487 0.477 -6.454 548 H ALA 71 H ALA 71 -9.830 0.040 -2.739 549 HA ALA 71 HA ALA 71 -7.220 0.759 -3.483 550 HB1 ALA 71 3HB ALA 71 -8.397 0.565 -0.714 551 HB2 ALA 71 1HB ALA 71 -8.496 1.962 -1.786 552 HB3 ALA 71 2HB ALA 71 -6.933 1.442 -1.157 553 H ARG 72 H ARG 72 -8.444 -1.949 -1.571 554 HA ARG 72 HA ARG 72 -5.898 -2.872 -0.738 555 HB2 ARG 72 1HB ARG 72 -7.722 -3.592 0.563 556 HB3 ARG 72 2HB ARG 72 -8.622 -4.139 -0.845 557 HG2 ARG 72 1HG ARG 72 -7.105 -5.988 -1.152 558 HG3 ARG 72 2HG ARG 72 -6.087 -5.406 0.168 559 HD2 ARG 72 1HD ARG 72 -7.620 -6.004 1.790 560 HD3 ARG 72 2HD ARG 72 -8.975 -5.980 0.661 561 HE ARG 72 HE ARG 72 -8.032 -8.047 -0.306 562 HH11 ARG 72 1HH1 ARG 72 -7.052 -7.136 2.940 563 HH12 ARG 72 2HH1 ARG 72 -6.763 -8.772 3.439 564 HH21 ARG 72 1HH2 ARG 72 -7.689 -10.176 0.349 565 HH22 ARG 72 2HH2 ARG 72 -7.172 -10.522 1.978 566 H THR 73 H THR 73 -8.101 -4.010 -3.313 567 HA THR 73 HA THR 73 -6.479 -6.093 -4.232 568 HB THR 73 HB THR 73 -8.370 -4.447 -5.921 569 HG1 THR 73 HG1 THR 73 -9.920 -6.066 -5.219 570 HG21 THR 73 3HG2 THR 73 -7.486 -7.330 -6.117 571 HG22 THR 73 1HG2 THR 73 -6.971 -6.019 -7.181 572 HG23 THR 73 2HG2 THR 73 -8.657 -6.535 -7.170 573 H ALA 74 H ALA 74 -6.549 -2.671 -5.140 574 HA ALA 74 HA ALA 74 -4.663 -2.909 -7.252 575 HB1 ALA 74 3HB ALA 74 -5.384 -0.484 -5.614 576 HB2 ALA 74 1HB ALA 74 -6.202 -1.020 -7.081 577 HB3 ALA 74 2HB ALA 74 -4.524 -0.482 -7.155 578 H PHE 75 H PHE 75 -4.390 -2.412 -3.787 579 HA PHE 75 HA PHE 75 -1.612 -1.754 -3.819 580 HB2 PHE 75 1HB PHE 75 -3.235 -1.239 -1.938 581 HB3 PHE 75 2HB PHE 75 -3.159 -2.944 -1.510 582 HD1 PHE 75 HD2 PHE 75 -1.316 0.213 -1.627 583 HD2 PHE 75 HD1 PHE 75 -1.208 -3.871 -0.443 584 HE1 PHE 75 HE2 PHE 75 0.683 0.666 -0.269 585 HE2 PHE 75 HE1 PHE 75 0.794 -3.427 0.920 586 HZ PHE 75 HZ PHE 75 1.742 -1.155 1.007 587 H VAL 76 H VAL 76 -3.478 -4.714 -3.674 588 HA VAL 76 HA VAL 76 -1.405 -6.511 -3.070 589 HB VAL 76 HB VAL 76 -3.867 -6.945 -4.780 590 HG11 VAL 76 1HG1 VAL 76 -2.208 -8.653 -5.252 591 HG12 VAL 76 2HG1 VAL 76 -3.537 -9.337 -4.316 592 HG13 VAL 76 3HG1 VAL 76 -2.005 -8.962 -3.529 593 HG21 VAL 76 3HG2 VAL 76 -3.348 -7.552 -1.871 594 HG22 VAL 76 1HG2 VAL 76 -4.820 -7.936 -2.763 595 HG23 VAL 76 2HG2 VAL 76 -4.367 -6.253 -2.492 596 H ALA 77 H ALA 77 -2.556 -5.196 -6.152 597 HA ALA 77 HA ALA 77 -0.720 -6.576 -7.802 598 HB1 ALA 77 3HB ALA 77 -1.296 -4.921 -9.506 599 HB2 ALA 77 1HB ALA 77 -2.080 -3.922 -8.282 600 HB3 ALA 77 2HB ALA 77 -2.740 -5.508 -8.681 601 H ALA 78 H ALA 78 -0.576 -3.515 -6.071 602 HA ALA 78 HA ALA 78 1.860 -2.603 -7.182 603 HB1 ALA 78 3HB ALA 78 0.615 -1.936 -4.517 604 HB2 ALA 78 1HB ALA 78 0.307 -1.106 -6.043 605 HB3 ALA 78 2HB ALA 78 1.910 -1.036 -5.307 606 H SER 79 H SER 79 1.126 -4.387 -4.189 607 HA SER 79 HA SER 79 3.842 -4.547 -3.352 608 HB2 SER 79 1HB SER 79 2.940 -6.316 -1.774 609 HB3 SER 79 2HB SER 79 2.167 -4.735 -1.665 610 HG SER 79 HG SER 79 0.387 -5.514 -2.644 611 H ARG 80 H ARG 80 1.869 -6.395 -5.499 612 HA ARG 80 HA ARG 80 3.376 -8.757 -5.682 613 HB2 ARG 80 1HB ARG 80 1.181 -8.525 -6.734 614 HB3 ARG 80 2HB ARG 80 1.808 -7.289 -7.816 615 HG2 ARG 80 1HG ARG 80 3.347 -8.984 -8.775 616 HG3 ARG 80 2HG ARG 80 2.551 -10.204 -7.775 617 HD2 ARG 80 1HD ARG 80 1.625 -10.224 -10.011 618 HD3 ARG 80 2HD ARG 80 0.411 -9.674 -8.858 619 HE ARG 80 HE ARG 80 1.829 -7.485 -10.027 620 HH11 ARG 80 1HH1 ARG 80 -0.720 -9.799 -10.649 621 HH12 ARG 80 2HH1 ARG 80 -1.553 -8.777 -11.782 622 HH21 ARG 80 1HH2 ARG 80 0.743 -6.136 -11.501 623 HH22 ARG 80 2HH2 ARG 80 -0.717 -6.689 -12.265 624 H GLN 81 H GLN 81 3.647 -5.663 -7.382 625 HA GLN 81 HA GLN 81 5.963 -6.471 -8.880 626 HB2 GLN 81 1HB GLN 81 4.265 -4.742 -9.619 627 HB3 GLN 81 2HB GLN 81 4.959 -3.658 -8.421 628 HG2 GLN 81 1HG GLN 81 7.136 -3.836 -9.560 629 HG3 GLN 81 2HG GLN 81 6.386 -4.860 -10.784 630 HE21 GLN 81 2HE2 GLN 81 7.717 -2.318 -11.121 631 HE22 GLN 81 1HE2 GLN 81 6.553 -1.246 -11.832 632 H ALA 82 H ALA 82 5.313 -5.038 -5.822 633 HA ALA 82 HA ALA 82 7.754 -3.734 -5.339 634 HB1 ALA 82 3HB ALA 82 5.737 -3.344 -4.018 635 HB2 ALA 82 1HB ALA 82 7.105 -3.783 -2.994 636 HB3 ALA 82 2HB ALA 82 5.855 -4.975 -3.355 637 H HIS 83 H HIS 83 6.647 -6.930 -4.176 638 HA HIS 83 HA HIS 83 9.112 -8.195 -4.638 639 HB2 HIS 83 1HB HIS 83 9.475 -6.586 -2.545 640 HB3 HIS 83 2HB HIS 83 8.734 -7.936 -1.688 641 HD1 HIS 83 HD1 HIS 83 10.457 -9.486 -0.770 642 HD2 HIS 83 HD2 HIS 83 11.641 -7.721 -4.344 643 HE1 HIS 83 HE1 HIS 83 12.764 -10.376 -1.234 644 HE2 HIS 83 HE2 HIS 83 13.543 -9.124 -3.281 645 H CYS 84 H CYS 84 6.437 -8.180 -2.269 646 HA CYS 84 HA CYS 84 5.662 -10.829 -3.063 647 HB2 CYS 84 1HB CYS 84 7.518 -11.279 -1.483 648 HB3 CYS 84 2HB CYS 84 6.659 -10.373 -0.242 649 HG CYS 84 HG CYS 84 4.472 -12.162 -0.186 650 H LEU 85 H LEU 85 3.675 -10.070 -3.474 651 HA LEU 85 HA LEU 85 2.037 -8.587 -1.734 652 HB2 LEU 85 1HB LEU 85 0.178 -9.311 -3.096 653 HB3 LEU 85 2HB LEU 85 1.534 -8.911 -4.130 654 HG LEU 85 HG LEU 85 0.862 -11.753 -3.360 655 HD11 LEU 85 1HD1 LEU 85 -0.220 -11.939 -5.548 656 HD12 LEU 85 2HD1 LEU 85 -0.010 -10.205 -5.795 657 HD13 LEU 85 3HD1 LEU 85 -1.057 -10.792 -4.501 658 HD21 LEU 85 3HD2 LEU 85 2.175 -12.298 -5.356 659 HD22 LEU 85 1HD2 LEU 85 3.134 -11.399 -4.180 660 HD23 LEU 85 2HD2 LEU 85 2.502 -10.582 -5.610 661 H MET 86 H MET 86 0.532 -9.243 -0.186 662 HA MET 86 HA MET 86 0.615 -12.084 0.560 663 HB2 MET 86 1HB MET 86 0.884 -9.719 2.416 664 HB3 MET 86 2HB MET 86 0.521 -11.348 2.965 665 HG2 MET 86 1HG MET 86 2.991 -10.519 1.468 666 HG3 MET 86 2HG MET 86 2.879 -10.786 3.207 667 HE1 MET 86 3HE MET 86 2.142 -14.632 3.389 668 HE2 MET 86 1HE MET 86 0.947 -13.336 3.341 669 HE3 MET 86 2HE MET 86 2.407 -13.153 4.313 670 H GLU 87 H GLU 87 -1.129 -12.533 2.259 671 HA GLU 87 HA GLU 87 -3.623 -11.319 1.269 672 HB2 GLU 87 1HB GLU 87 -3.302 -14.038 2.542 673 HB3 GLU 87 2HB GLU 87 -4.695 -13.425 1.662 674 HG2 GLU 87 1HG GLU 87 -3.486 -13.485 -0.410 675 HG3 GLU 87 2HG GLU 87 -1.996 -13.912 0.431 676 H ASP 88 H ASP 88 -5.428 -12.037 3.038 677 HA ASP 88 HA ASP 88 -4.496 -11.025 5.625 678 HB2 ASP 88 1HB ASP 88 -6.908 -10.701 6.134 679 HB3 ASP 88 2HB ASP 88 -6.388 -9.789 4.724 680 H LYS 89 H LYS 89 -4.527 -12.299 7.389 681 HA LYS 89 HA LYS 89 -4.606 -15.117 6.876 682 HB2 LYS 89 1HB LYS 89 -2.929 -13.894 8.352 683 HB3 LYS 89 2HB LYS 89 -4.209 -13.779 9.551 684 HG2 LYS 89 1HG LYS 89 -4.361 -16.216 9.627 685 HG3 LYS 89 2HG LYS 89 -3.080 -16.333 8.418 686 HD2 LYS 89 1HD LYS 89 -1.582 -15.104 9.990 687 HD3 LYS 89 2HD LYS 89 -2.858 -15.196 11.205 688 HE2 LYS 89 1HE LYS 89 -2.802 -17.662 11.011 689 HE3 LYS 89 2HE LYS 89 -1.451 -17.517 9.889 690 HZ1 LYS 89 3HZ LYS 89 -0.595 -17.964 12.049 691 HZ2 LYS 89 1HZ LYS 89 -1.498 -16.709 12.748 692 HZ3 LYS 89 2HZ LYS 89 -0.227 -16.347 11.683 693 H ALA 90 H ALA 90 -6.157 -16.543 7.369 694 HA ALA 90 HA ALA 90 -8.743 -15.687 8.153 695 HB1 ALA 90 3HB ALA 90 -8.353 -17.663 6.753 696 HB2 ALA 90 1HB ALA 90 -9.315 -18.056 8.177 697 HB3 ALA 90 2HB ALA 90 -7.605 -18.483 8.123 698 H GLU 91 H GLU 91 -5.957 -16.603 9.918 699 HA GLU 91 HA GLU 91 -7.335 -17.166 12.385 700 HB2 GLU 91 1HB GLU 91 -5.156 -18.203 11.836 701 HB3 GLU 91 2HB GLU 91 -4.409 -16.613 11.863 702 HG2 GLU 91 1HG GLU 91 -5.112 -16.421 14.255 703 HG3 GLU 91 2HG GLU 91 -5.610 -18.111 14.175 704 H ALA 92 H ALA 92 -8.598 -15.215 12.347 705 HA ALA 92 HA ALA 92 -7.134 -12.946 13.501 706 HB1 ALA 92 3HB ALA 92 -8.613 -11.387 12.381 707 HB2 ALA 92 1HB ALA 92 -9.484 -12.724 11.627 708 HB3 ALA 92 2HB ALA 92 -7.800 -12.415 11.201 709 HA PRO 93 HA PRO 93 -11.537 -13.175 15.591 710 HB2 PRO 93 1HB PRO 93 -12.859 -15.547 15.195 711 HB3 PRO 93 2HB PRO 93 -13.191 -14.071 14.282 712 HG2 PRO 93 1HG PRO 93 -11.520 -16.434 13.522 713 HG3 PRO 93 2HG PRO 93 -12.668 -15.508 12.537 714 HD2 PRO 93 1HD PRO 93 -10.018 -15.132 12.336 715 HD3 PRO 93 2HD PRO 93 -11.164 -13.787 12.175 716 H ASN 94 H ASN 94 -12.064 -14.341 17.576 717 HA ASN 94 HA ASN 94 -9.713 -15.436 18.734 718 HB2 ASN 94 1HB ASN 94 -12.530 -15.430 19.847 719 HB3 ASN 94 2HB ASN 94 -11.055 -15.705 20.765 720 HD21 ASN 94 2HD2 ASN 94 -13.110 -13.375 19.279 721 HD22 ASN 94 1HD2 ASN 94 -12.295 -11.966 19.865 722 H THR 95 H THR 95 -12.790 -16.826 17.689 723 HA THR 95 HA THR 95 -11.517 -19.485 17.815 724 HB THR 95 HB THR 95 -14.492 -19.168 17.702 725 HG1 THR 95 HG1 THR 95 -14.006 -17.909 19.479 726 HG21 THR 95 3HG2 THR 95 -12.669 -21.213 18.973 727 HG22 THR 95 1HG2 THR 95 -13.522 -21.396 17.441 728 HG23 THR 95 2HG2 THR 95 -14.431 -21.285 18.948 729 H ILE 96 H ILE 96 -11.870 -20.879 16.052 730 HA ILE 96 HA ILE 96 -12.601 -19.509 13.563 731 HB ILE 96 HB ILE 96 -11.167 -22.144 13.964 732 HG12 ILE 96 1HG1 ILE 96 -10.114 -19.445 13.077 733 HG13 ILE 96 2HG1 ILE 96 -9.850 -20.168 14.660 734 HG21 ILE 96 1HG2 ILE 96 -11.709 -20.572 11.449 735 HG22 ILE 96 2HG2 ILE 96 -12.420 -22.124 11.887 736 HG23 ILE 96 3HG2 ILE 96 -10.693 -22.011 11.557 737 HD11 ILE 96 3HD1 ILE 96 -8.622 -22.002 13.606 738 HD12 ILE 96 1HD1 ILE 96 -7.901 -20.429 13.254 739 HD13 ILE 96 2HD1 ILE 96 -8.870 -21.250 12.030 740 H ALA 97 H ALA 97 -14.558 -19.832 12.766 741 HA ALA 97 HA ALA 97 -16.443 -21.526 13.989 742 HB1 ALA 97 3HB ALA 97 -16.578 -20.176 11.297 743 HB2 ALA 97 1HB ALA 97 -17.083 -19.483 12.836 744 HB3 ALA 97 2HB ALA 97 -17.942 -20.871 12.170 745 H SER 98 H SER 98 -14.780 -21.809 10.863 746 HA SER 98 HA SER 98 -15.857 -24.490 10.531 747 HB2 SER 98 1HB SER 98 -14.030 -22.904 8.708 748 HB3 SER 98 2HB SER 98 -14.867 -24.407 8.305 749 HG SER 98 HG SER 98 -16.844 -23.121 8.935 750 H GLY 99 H GLY 99 -14.839 -25.656 12.125 751 HA2 GLY 99 1HA GLY 99 -12.752 -27.184 11.879 752 HA3 GLY 99 2HA GLY 99 -11.903 -25.668 12.155 753 H SER 100 H SER 100 -10.990 -26.554 14.068 754 HA SER 100 HA SER 100 -12.717 -26.138 16.364 755 HB2 SER 100 1HB SER 100 -11.100 -28.690 16.092 756 HB3 SER 100 2HB SER 100 -12.130 -28.234 17.449 757 HG SER 100 HG SER 100 -13.721 -28.076 15.442 Start of MODEL 5 1 H1 MET 1 1H MET 1 -15.189 6.449 22.746 2 H2 MET 1 2H MET 1 -14.136 5.307 22.064 3 H3 MET 1 3H MET 1 -15.616 4.807 22.724 4 HA MET 1 HA MET 1 -15.695 4.827 20.321 5 HB2 MET 1 1HB MET 1 -17.735 5.307 21.642 6 HB3 MET 1 2HB MET 1 -17.360 7.024 21.581 7 HG2 MET 1 1HG MET 1 -17.650 7.053 19.194 8 HG3 MET 1 2HG MET 1 -17.872 5.304 19.164 9 HE1 MET 1 3HE MET 1 -19.352 8.736 20.316 10 HE2 MET 1 1HE MET 1 -19.332 7.838 21.833 11 HE3 MET 1 2HE MET 1 -20.869 8.254 21.073 12 H GLU 2 H GLU 2 -14.707 5.581 18.596 13 HA GLU 2 HA GLU 2 -13.108 7.946 18.760 14 HB2 GLU 2 1HB GLU 2 -13.695 6.134 16.412 15 HB3 GLU 2 2HB GLU 2 -12.474 7.400 16.425 16 HG2 GLU 2 1HG GLU 2 -11.313 6.239 18.249 17 HG3 GLU 2 2HG GLU 2 -12.525 4.961 18.187 18 H VAL 3 H VAL 3 -14.334 9.752 18.944 19 HA VAL 3 HA VAL 3 -15.976 10.445 16.597 20 HB VAL 3 HB VAL 3 -17.114 12.115 18.033 21 HG11 VAL 3 1HG1 VAL 3 -17.260 9.274 19.033 22 HG12 VAL 3 2HG1 VAL 3 -18.152 9.956 17.672 23 HG13 VAL 3 3HG1 VAL 3 -18.478 10.519 19.313 24 HG21 VAL 3 3HG2 VAL 3 -16.887 11.969 20.476 25 HG22 VAL 3 1HG2 VAL 3 -15.379 12.457 19.702 26 HG23 VAL 3 2HG2 VAL 3 -15.580 10.801 20.274 27 H GLN 4 H GLN 4 -15.813 12.630 15.834 28 HA GLN 4 HA GLN 4 -14.704 14.479 15.146 29 HB2 GLN 4 1HB GLN 4 -13.247 14.270 17.791 30 HB3 GLN 4 2HB GLN 4 -13.231 15.665 16.720 31 HG2 GLN 4 1HG GLN 4 -15.616 15.968 17.041 32 HG3 GLN 4 2HG GLN 4 -15.676 14.535 18.065 33 HE21 GLN 4 2HE2 GLN 4 -16.424 17.266 18.679 34 HE22 GLN 4 1HE2 GLN 4 -15.443 17.746 20.026 35 H SER 5 H SER 5 -13.652 13.820 13.406 36 HA SER 5 HA SER 5 -11.641 11.872 13.332 37 HB2 SER 5 1HB SER 5 -12.268 14.012 11.289 38 HB3 SER 5 2HB SER 5 -11.382 12.516 10.988 39 HG SER 5 HG SER 5 -13.198 11.348 11.263 40 H MET 6 H MET 6 -9.483 11.915 13.389 41 HA MET 6 HA MET 6 -8.094 14.344 14.093 42 HB2 MET 6 1HB MET 6 -7.100 11.562 13.442 43 HB3 MET 6 2HB MET 6 -6.051 12.887 13.929 44 HG2 MET 6 1HG MET 6 -7.294 13.035 16.056 45 HG3 MET 6 2HG MET 6 -8.240 11.630 15.567 46 HE1 MET 6 3HE MET 6 -4.623 12.957 16.359 47 HE2 MET 6 1HE MET 6 -4.435 12.190 14.784 48 HE3 MET 6 2HE MET 6 -3.670 11.480 16.205 49 H LEU 7 H LEU 7 -8.708 12.453 11.262 50 HA LEU 7 HA LEU 7 -7.057 14.219 9.608 51 HB2 LEU 7 1HB LEU 7 -8.658 11.754 8.886 52 HB3 LEU 7 2HB LEU 7 -7.623 12.648 7.791 53 HG LEU 7 HG LEU 7 -6.689 11.141 10.236 54 HD11 LEU 7 1HD1 LEU 7 -5.685 9.598 8.619 55 HD12 LEU 7 2HD1 LEU 7 -6.444 10.494 7.302 56 HD13 LEU 7 3HD1 LEU 7 -7.444 9.641 8.479 57 HD21 LEU 7 3HD2 LEU 7 -5.135 12.569 8.082 58 HD22 LEU 7 1HD2 LEU 7 -4.441 11.579 9.365 59 HD23 LEU 7 2HD2 LEU 7 -5.286 13.073 9.765 60 H LEU 8 H LEU 8 -8.732 13.998 7.271 61 HA LEU 8 HA LEU 8 -10.849 15.860 8.022 62 HB2 LEU 8 1HB LEU 8 -9.948 14.889 5.302 63 HB3 LEU 8 2HB LEU 8 -11.188 16.098 5.579 64 HG LEU 8 HG LEU 8 -8.270 16.379 6.315 65 HD11 LEU 8 1HD1 LEU 8 -8.224 18.054 4.529 66 HD12 LEU 8 2HD1 LEU 8 -9.894 17.663 4.122 67 HD13 LEU 8 3HD1 LEU 8 -8.630 16.454 3.909 68 HD21 LEU 8 3HD2 LEU 8 -10.548 18.349 6.506 69 HD22 LEU 8 1HD2 LEU 8 -8.850 18.703 6.821 70 HD23 LEU 8 2HD2 LEU 8 -9.724 17.579 7.860 71 H ASN 9 H ASN 9 -10.571 12.949 6.015 72 HA ASN 9 HA ASN 9 -13.138 12.023 7.115 73 HB2 ASN 9 1HB ASN 9 -12.175 11.769 4.253 74 HB3 ASN 9 2HB ASN 9 -13.535 10.869 4.909 75 HD21 ASN 9 2HD2 ASN 9 -15.092 11.719 3.640 76 HD22 ASN 9 1HD2 ASN 9 -15.580 13.377 3.682 77 H ASP 10 H ASP 10 -13.081 10.010 7.938 78 HA ASP 10 HA ASP 10 -10.472 8.713 8.007 79 HB2 ASP 10 1HB ASP 10 -12.992 8.046 9.550 80 HB3 ASP 10 2HB ASP 10 -11.400 7.348 9.818 81 H VAL 11 H VAL 11 -10.001 7.046 6.743 82 HA VAL 11 HA VAL 11 -12.185 5.235 5.999 83 HB VAL 11 HB VAL 11 -11.563 6.496 4.013 84 HG11 VAL 11 1HG1 VAL 11 -8.773 5.436 4.439 85 HG12 VAL 11 2HG1 VAL 11 -9.290 7.112 4.612 86 HG13 VAL 11 3HG1 VAL 11 -9.333 6.337 3.028 87 HG21 VAL 11 3HG2 VAL 11 -11.033 4.627 2.519 88 HG22 VAL 11 1HG2 VAL 11 -12.243 4.183 3.723 89 HG23 VAL 11 2HG2 VAL 11 -10.572 3.649 3.913 90 H LYS 12 H LYS 12 -11.919 3.294 6.792 91 HA LYS 12 HA LYS 12 -9.192 2.309 7.287 92 HB2 LYS 12 1HB LYS 12 -11.617 1.917 9.062 93 HB3 LYS 12 2HB LYS 12 -10.030 1.201 9.328 94 HG2 LYS 12 1HG LYS 12 -9.052 3.394 9.630 95 HG3 LYS 12 2HG LYS 12 -10.599 4.160 9.272 96 HD2 LYS 12 1HD LYS 12 -11.571 3.071 11.256 97 HD3 LYS 12 2HD LYS 12 -9.992 2.367 11.622 98 HE2 LYS 12 1HE LYS 12 -9.037 4.608 11.834 99 HE3 LYS 12 2HE LYS 12 -10.604 5.319 11.455 100 HZ1 LYS 12 3HZ LYS 12 -9.983 3.638 13.826 101 HZ2 LYS 12 1HZ LYS 12 -11.504 4.296 13.463 102 HZ3 LYS 12 2HZ LYS 12 -10.197 5.317 13.828 103 H TRP 13 H TRP 13 -9.233 -0.172 7.543 104 HA TRP 13 HA TRP 13 -10.689 -1.056 5.173 105 HB2 TRP 13 1HB TRP 13 -8.061 -1.637 6.294 106 HB3 TRP 13 2HB TRP 13 -8.934 -3.083 5.790 107 HD1 TRP 13 HD1 TRP 13 -10.214 -2.530 3.195 108 HE1 TRP 13 HE1 TRP 13 -8.965 -1.732 1.106 109 HE3 TRP 13 HE3 TRP 13 -6.055 -0.592 5.448 110 HZ2 TRP 13 HZ2 TRP 13 -6.509 -0.460 0.485 111 HZ3 TRP 13 HZ3 TRP 13 -4.298 0.388 4.032 112 HH2 TRP 13 HH2 TRP 13 -4.522 0.452 1.603 113 H GLU 14 H GLU 14 -11.962 -2.770 5.059 114 HA GLU 14 HA GLU 14 -12.997 -3.936 7.491 115 HB2 GLU 14 1HB GLU 14 -13.540 -4.532 4.575 116 HB3 GLU 14 2HB GLU 14 -14.392 -5.288 5.915 117 HG2 GLU 14 1HG GLU 14 -15.249 -3.118 6.603 118 HG3 GLU 14 2HG GLU 14 -14.374 -2.348 5.278 119 H LYS 15 H LYS 15 -10.681 -4.642 5.057 120 HA LYS 15 HA LYS 15 -10.002 -7.144 6.434 121 HB2 LYS 15 1HB LYS 15 -9.776 -6.581 3.465 122 HB3 LYS 15 2HB LYS 15 -9.134 -8.004 4.264 123 HG2 LYS 15 1HG LYS 15 -11.100 -8.778 3.347 124 HG3 LYS 15 2HG LYS 15 -11.577 -8.407 5.004 125 HD2 LYS 15 1HD LYS 15 -12.553 -6.314 4.300 126 HD3 LYS 15 2HD LYS 15 -11.959 -6.552 2.655 127 HE2 LYS 15 1HE LYS 15 -14.310 -7.103 2.771 128 HE3 LYS 15 2HE LYS 15 -13.365 -8.557 2.455 129 HZ1 LYS 15 3HZ LYS 15 -14.902 -9.179 4.072 130 HZ2 LYS 15 1HZ LYS 15 -14.706 -7.750 4.968 131 HZ3 LYS 15 2HZ LYS 15 -13.480 -8.920 4.952 132 HA PRO 16 HA PRO 16 -6.473 -4.441 7.238 133 HB2 PRO 16 1HB PRO 16 -5.501 -6.976 8.449 134 HB3 PRO 16 2HB PRO 16 -5.572 -5.352 9.141 135 HG2 PRO 16 1HG PRO 16 -7.310 -7.215 9.891 136 HG3 PRO 16 2HG PRO 16 -7.825 -5.532 9.665 137 HD2 PRO 16 1HD PRO 16 -8.223 -7.897 7.873 138 HD3 PRO 16 2HD PRO 16 -9.338 -6.566 8.245 139 H VAL 17 H VAL 17 -4.549 -4.151 6.208 140 HA VAL 17 HA VAL 17 -3.906 -6.133 4.148 141 HB VAL 17 HB VAL 17 -3.014 -3.254 4.410 142 HG11 VAL 17 1HG1 VAL 17 -2.581 -5.222 2.163 143 HG12 VAL 17 2HG1 VAL 17 -1.342 -4.596 3.249 144 HG13 VAL 17 3HG1 VAL 17 -2.160 -3.509 2.125 145 HG21 VAL 17 3HG2 VAL 17 -5.375 -3.420 3.903 146 HG22 VAL 17 1HG2 VAL 17 -5.043 -4.557 2.595 147 HG23 VAL 17 2HG2 VAL 17 -4.497 -2.884 2.471 148 H THR 18 H THR 18 -2.292 -7.469 4.467 149 HA THR 18 HA THR 18 -0.268 -6.853 6.484 150 HB THR 18 HB THR 18 -0.840 -9.464 5.066 151 HG1 THR 18 HG1 THR 18 -2.366 -9.701 6.508 152 HG21 THR 18 3HG2 THR 18 0.500 -10.466 6.851 153 HG22 THR 18 1HG2 THR 18 0.824 -8.863 7.515 154 HG23 THR 18 2HG2 THR 18 1.452 -9.304 5.925 155 H ILE 19 H ILE 19 1.424 -5.779 5.683 156 HA ILE 19 HA ILE 19 2.442 -6.471 3.024 157 HB ILE 19 HB ILE 19 2.936 -4.123 4.848 158 HG12 ILE 19 1HG1 ILE 19 0.934 -4.100 3.381 159 HG13 ILE 19 2HG1 ILE 19 2.082 -2.828 2.973 160 HG21 ILE 19 1HG2 ILE 19 4.434 -4.783 2.313 161 HG22 ILE 19 2HG2 ILE 19 5.102 -4.773 3.945 162 HG23 ILE 19 3HG2 ILE 19 4.548 -3.268 3.210 163 HD11 ILE 19 3HD1 ILE 19 2.881 -4.100 1.099 164 HD12 ILE 19 1HD1 ILE 19 1.129 -3.915 1.002 165 HD13 ILE 19 2HD1 ILE 19 1.826 -5.448 1.528 166 H SER 20 H SER 20 3.911 -8.012 2.981 167 HA SER 20 HA SER 20 5.552 -8.608 5.263 168 HB2 SER 20 1HB SER 20 6.574 -10.239 3.472 169 HB3 SER 20 2HB SER 20 4.963 -10.546 4.124 170 HG SER 20 HG SER 20 5.567 -9.224 1.674 171 H LEU 21 H LEU 21 7.153 -7.241 5.706 172 HA LEU 21 HA LEU 21 8.438 -5.628 3.744 173 HB2 LEU 21 1HB LEU 21 9.400 -6.255 6.536 174 HB3 LEU 21 2HB LEU 21 9.890 -4.900 5.534 175 HG LEU 21 HG LEU 21 7.130 -5.325 6.682 176 HD11 LEU 21 1HD1 LEU 21 7.675 -3.353 8.042 177 HD12 LEU 21 2HD1 LEU 21 9.318 -3.379 7.400 178 HD13 LEU 21 3HD1 LEU 21 8.736 -4.717 8.391 179 HD21 LEU 21 3HD2 LEU 21 7.074 -4.203 4.518 180 HD22 LEU 21 1HD2 LEU 21 8.270 -3.036 5.085 181 HD23 LEU 21 2HD2 LEU 21 6.668 -3.087 5.824 182 H GLN 22 H GLN 22 10.873 -5.613 3.527 183 HA GLN 22 HA GLN 22 11.704 -8.061 2.399 184 HB2 GLN 22 1HB GLN 22 13.249 -5.554 3.056 185 HB3 GLN 22 2HB GLN 22 13.922 -6.911 2.161 186 HG2 GLN 22 1HG GLN 22 12.197 -6.622 0.445 187 HG3 GLN 22 2HG GLN 22 11.562 -5.238 1.334 188 HE21 GLN 22 2HE2 GLN 22 12.690 -5.437 -1.367 189 HE22 GLN 22 1HE2 GLN 22 13.990 -4.300 -1.419 190 H ASN 23 H ASN 23 11.759 -6.963 5.596 191 HA ASN 23 HA ASN 23 13.993 -8.588 6.447 192 HB2 ASN 23 1HB ASN 23 11.899 -7.084 8.036 193 HB3 ASN 23 2HB ASN 23 13.264 -7.934 8.746 194 HD21 ASN 23 2HD2 ASN 23 14.215 -6.186 9.649 195 HD22 ASN 23 1HD2 ASN 23 14.921 -4.896 8.738 196 H GLY 24 H GLY 24 11.146 -9.461 5.294 197 HA2 GLY 24 1HA GLY 24 9.925 -11.407 5.437 198 HA3 GLY 24 2HA GLY 24 11.108 -11.996 6.599 199 H ALA 25 H ALA 25 9.261 -9.043 6.931 200 HA ALA 25 HA ALA 25 7.932 -10.226 9.277 201 HB1 ALA 25 3HB ALA 25 8.073 -8.050 10.363 202 HB2 ALA 25 1HB ALA 25 8.893 -7.383 8.951 203 HB3 ALA 25 2HB ALA 25 9.678 -8.633 9.918 204 HA PRO 26 HA PRO 26 4.259 -8.920 7.025 205 HB2 PRO 26 1HB PRO 26 2.792 -10.203 9.184 206 HB3 PRO 26 2HB PRO 26 2.901 -10.674 7.488 207 HG2 PRO 26 1HG PRO 26 4.015 -12.122 9.497 208 HG3 PRO 26 2HG PRO 26 4.675 -12.078 7.853 209 HD2 PRO 26 1HD PRO 26 5.572 -10.594 10.297 210 HD3 PRO 26 2HD PRO 26 6.544 -11.389 9.039 211 H ARG 27 H ARG 27 3.982 -6.772 7.311 212 HA ARG 27 HA ARG 27 3.288 -5.792 9.992 213 HB2 ARG 27 1HB ARG 27 5.183 -4.790 8.538 214 HB3 ARG 27 2HB ARG 27 3.883 -4.072 7.598 215 HG2 ARG 27 1HG ARG 27 3.117 -2.819 9.469 216 HG3 ARG 27 2HG ARG 27 4.216 -3.670 10.558 217 HD2 ARG 27 1HD ARG 27 6.110 -2.761 9.166 218 HD3 ARG 27 2HD ARG 27 4.920 -1.743 8.356 219 HE ARG 27 HE ARG 27 4.436 -0.927 10.744 220 HH11 ARG 27 1HH1 ARG 27 7.571 -1.991 9.615 221 HH12 ARG 27 2HH1 ARG 27 8.465 -0.947 10.674 222 HH21 ARG 27 1HH2 ARG 27 5.595 0.485 12.133 223 HH22 ARG 27 2HH2 ARG 27 7.339 0.474 12.095 224 H ILE 28 H ILE 28 1.187 -5.643 10.385 225 HA ILE 28 HA ILE 28 -0.675 -5.649 8.135 226 HB ILE 28 HB ILE 28 -1.210 -6.120 11.073 227 HG12 ILE 28 1HG1 ILE 28 -0.929 -8.097 8.797 228 HG13 ILE 28 2HG1 ILE 28 0.268 -7.829 10.060 229 HG21 ILE 28 1HG2 ILE 28 -3.354 -7.026 10.317 230 HG22 ILE 28 2HG2 ILE 28 -2.952 -6.594 8.655 231 HG23 ILE 28 3HG2 ILE 28 -3.175 -5.332 9.864 232 HD11 ILE 28 3HD1 ILE 28 -1.339 -8.606 11.731 233 HD12 ILE 28 1HD1 ILE 28 -1.024 -9.824 10.497 234 HD13 ILE 28 2HD1 ILE 28 -2.520 -8.891 10.451 235 H PHE 29 H PHE 29 -1.826 -3.939 7.570 236 HA PHE 29 HA PHE 29 -2.009 -1.660 9.431 237 HB2 PHE 29 1HB PHE 29 -2.580 -1.641 6.461 238 HB3 PHE 29 2HB PHE 29 -2.361 -0.251 7.518 239 HD1 PHE 29 HD2 PHE 29 -0.056 0.055 8.600 240 HD2 PHE 29 HD1 PHE 29 -0.789 -2.538 5.308 241 HE1 PHE 29 HE2 PHE 29 2.347 0.065 8.059 242 HE2 PHE 29 HE1 PHE 29 1.603 -2.534 4.768 243 HZ PHE 29 HZ PHE 29 3.176 -1.237 6.130 244 H ASN 30 H ASN 30 -4.002 -0.780 9.942 245 HA ASN 30 HA ASN 30 -6.297 -2.526 9.310 246 HB2 ASN 30 1HB ASN 30 -5.654 -0.813 11.704 247 HB3 ASN 30 2HB ASN 30 -7.299 -1.345 11.380 248 HD21 ASN 30 2HD2 ASN 30 -4.567 -3.346 10.591 249 HD22 ASN 30 1HD2 ASN 30 -4.829 -4.522 11.829 250 H GLY 31 H GLY 31 -5.012 0.629 8.990 251 HA2 GLY 31 1HA GLY 31 -7.577 1.537 7.841 252 HA3 GLY 31 2HA GLY 31 -6.579 2.596 8.830 253 H VAL 32 H VAL 32 -7.376 3.157 6.175 254 HA VAL 32 HA VAL 32 -5.366 2.414 4.316 255 HB VAL 32 HB VAL 32 -7.287 4.745 4.171 256 HG11 VAL 32 1HG1 VAL 32 -6.927 4.608 1.752 257 HG12 VAL 32 2HG1 VAL 32 -5.730 3.337 2.004 258 HG13 VAL 32 3HG1 VAL 32 -5.425 4.967 2.607 259 HG21 VAL 32 3HG2 VAL 32 -8.449 2.619 4.458 260 HG22 VAL 32 1HG2 VAL 32 -7.543 1.932 3.109 261 HG23 VAL 32 2HG2 VAL 32 -8.683 3.248 2.827 262 H TYR 33 H TYR 33 -5.699 5.062 6.583 263 HA TYR 33 HA TYR 33 -3.727 6.750 5.507 264 HB2 TYR 33 1HB TYR 33 -5.256 7.548 7.243 265 HB3 TYR 33 2HB TYR 33 -4.537 6.434 8.407 266 HD1 TYR 33 HD1 TYR 33 -3.758 9.352 6.242 267 HD2 TYR 33 HD2 TYR 33 -2.637 7.059 9.644 268 HE1 TYR 33 HE1 TYR 33 -2.068 11.040 6.811 269 HE2 TYR 33 HE2 TYR 33 -0.942 8.745 10.226 270 HH TYR 33 HH TYR 33 0.403 10.486 9.005 271 H GLU 34 H GLU 34 -3.502 4.039 7.779 272 HA GLU 34 HA GLU 34 -0.796 4.313 8.470 273 HB2 GLU 34 1HB GLU 34 -2.429 1.779 8.188 274 HB3 GLU 34 2HB GLU 34 -0.877 1.894 9.001 275 HG2 GLU 34 1HG GLU 34 -1.843 3.389 10.660 276 HG3 GLU 34 2HG GLU 34 -3.399 3.308 9.830 277 H ALA 35 H ALA 35 -2.381 2.643 5.813 278 HA ALA 35 HA ALA 35 -0.066 1.485 4.689 279 HB1 ALA 35 3HB ALA 35 -1.453 1.082 2.738 280 HB2 ALA 35 1HB ALA 35 -2.651 2.234 3.327 281 HB3 ALA 35 2HB ALA 35 -2.361 0.736 4.210 282 H PHE 36 H PHE 36 -1.838 4.474 3.926 283 HA PHE 36 HA PHE 36 -0.185 5.364 1.846 284 HB2 PHE 36 1HB PHE 36 -2.381 6.344 2.262 285 HB3 PHE 36 2HB PHE 36 -1.834 6.967 3.815 286 HD1 PHE 36 HD2 PHE 36 -1.380 7.260 0.160 287 HD2 PHE 36 HD1 PHE 36 -0.710 9.023 3.975 288 HE1 PHE 36 HE2 PHE 36 -0.650 9.338 -0.936 289 HE2 PHE 36 HE1 PHE 36 0.022 11.105 2.889 290 HZ PHE 36 HZ PHE 36 0.058 11.264 0.429 291 H ASP 37 H ASP 37 -0.093 6.091 5.321 292 HA ASP 37 HA ASP 37 2.081 7.847 5.303 293 HB2 ASP 37 1HB ASP 37 0.615 7.536 7.255 294 HB3 ASP 37 2HB ASP 37 1.242 5.905 7.475 295 H PHE 38 H PHE 38 1.981 4.340 5.743 296 HA PHE 38 HA PHE 38 4.689 3.847 6.105 297 HB2 PHE 38 1HB PHE 38 3.104 2.109 6.492 298 HB3 PHE 38 2HB PHE 38 2.494 2.203 4.845 299 HD1 PHE 38 HD1 PHE 38 5.632 1.458 6.715 300 HD2 PHE 38 HD2 PHE 38 3.217 0.681 3.300 301 HE1 PHE 38 HE1 PHE 38 7.168 -0.343 6.041 302 HE2 PHE 38 HE2 PHE 38 4.748 -1.116 2.621 303 HZ PHE 38 HZ PHE 38 6.721 -1.632 3.988 304 H LEU 39 H LEU 39 2.831 3.995 3.074 305 HA LEU 39 HA LEU 39 4.910 3.312 1.323 306 HB2 LEU 39 1HB LEU 39 2.528 5.102 0.834 307 HB3 LEU 39 2HB LEU 39 3.557 4.437 -0.418 308 HG LEU 39 HG LEU 39 1.853 2.813 1.466 309 HD11 LEU 39 1HD1 LEU 39 1.460 3.499 -1.443 310 HD12 LEU 39 2HD1 LEU 39 0.514 4.122 -0.091 311 HD13 LEU 39 3HD1 LEU 39 0.455 2.405 -0.492 312 HD21 LEU 39 3HD2 LEU 39 3.442 1.988 -0.963 313 HD22 LEU 39 1HD2 LEU 39 2.401 0.943 0.005 314 HD23 LEU 39 2HD2 LEU 39 3.863 1.633 0.713 315 H GLN 40 H GLN 40 3.909 6.444 2.607 316 HA GLN 40 HA GLN 40 5.740 7.880 0.918 317 HB2 GLN 40 1HB GLN 40 3.554 8.812 1.664 318 HB3 GLN 40 2HB GLN 40 4.171 8.866 3.309 319 HG2 GLN 40 1HG GLN 40 5.928 10.424 2.568 320 HG3 GLN 40 2HG GLN 40 5.233 10.402 0.949 321 HE21 GLN 40 2HE2 GLN 40 5.591 12.638 2.804 322 HE22 GLN 40 1HE2 GLN 40 4.006 13.301 3.047 323 H HIS 41 H HIS 41 5.806 6.527 4.114 324 HA HIS 41 HA HIS 41 8.098 8.062 4.948 325 HB2 HIS 41 1HB HIS 41 6.560 5.788 6.156 326 HB3 HIS 41 2HB HIS 41 8.128 6.244 6.811 327 HD1 HIS 41 HD1 HIS 41 7.796 7.613 8.820 328 HD2 HIS 41 HD2 HIS 41 4.969 8.464 5.898 329 HE1 HIS 41 HE1 HIS 41 6.333 9.417 9.791 330 HE2 HIS 41 HE2 HIS 41 4.439 9.626 8.138 331 H GLU 42 H GLU 42 7.644 4.542 4.403 332 HA GLU 42 HA GLU 42 10.250 4.447 3.149 333 HB2 GLU 42 1HB GLU 42 10.713 4.306 5.598 334 HB3 GLU 42 2HB GLU 42 9.747 2.839 5.658 335 HG2 GLU 42 1HG GLU 42 11.293 1.682 4.251 336 HG3 GLU 42 2HG GLU 42 12.192 3.166 3.939 337 H TRP 43 H TRP 43 8.762 3.863 1.434 338 HA TRP 43 HA TRP 43 7.828 1.099 1.512 339 HB2 TRP 43 1HB TRP 43 6.398 2.780 0.447 340 HB3 TRP 43 2HB TRP 43 7.698 3.211 -0.656 341 HD1 TRP 43 HD1 TRP 43 7.070 2.386 -2.970 342 HE1 TRP 43 HE1 TRP 43 6.065 0.241 -3.970 343 HE3 TRP 43 HE3 TRP 43 6.202 -0.206 1.353 344 HZ2 TRP 43 HZ2 TRP 43 5.045 -2.222 -3.055 345 HZ3 TRP 43 HZ3 TRP 43 5.209 -2.451 1.198 346 HH2 TRP 43 HH2 TRP 43 4.643 -3.436 -0.961 347 HA PRO 44 HA PRO 44 11.979 -0.014 0.191 348 HB2 PRO 44 1HB PRO 44 10.900 -2.746 0.143 349 HB3 PRO 44 2HB PRO 44 12.202 -2.070 1.123 350 HG2 PRO 44 1HG PRO 44 9.835 -2.723 2.195 351 HG3 PRO 44 2HG PRO 44 10.759 -1.318 2.759 352 HD2 PRO 44 1HD PRO 44 8.399 -1.417 0.918 353 HD3 PRO 44 2HD PRO 44 8.740 -0.297 2.255 354 H ALA 45 H ALA 45 9.650 0.445 -1.822 355 HA ALA 45 HA ALA 45 11.060 -0.873 -4.032 356 HB1 ALA 45 3HB ALA 45 8.053 -0.666 -3.846 357 HB2 ALA 45 1HB ALA 45 8.989 -2.144 -3.613 358 HB3 ALA 45 2HB ALA 45 8.976 -1.347 -5.186 359 H ARG 46 H ARG 46 11.838 0.671 -5.315 360 HA ARG 46 HA ARG 46 10.534 3.299 -5.202 361 HB2 ARG 46 1HB ARG 46 13.384 2.675 -5.969 362 HB3 ARG 46 2HB ARG 46 12.676 4.274 -5.796 363 HG2 ARG 46 1HG ARG 46 12.301 3.802 -3.398 364 HG3 ARG 46 2HG ARG 46 13.138 2.261 -3.606 365 HD2 ARG 46 1HD ARG 46 14.247 5.041 -3.894 366 HD3 ARG 46 2HD ARG 46 14.751 3.776 -2.773 367 HE ARG 46 HE ARG 46 15.266 3.801 -5.680 368 HH11 ARG 46 1HH1 ARG 46 15.994 2.657 -2.446 369 HH12 ARG 46 2HH1 ARG 46 17.424 1.789 -2.937 370 HH21 ARG 46 1HH2 ARG 46 17.138 2.671 -6.331 371 HH22 ARG 46 2HH2 ARG 46 18.064 1.781 -5.159 372 H GLY 47 H GLY 47 10.465 4.591 -7.058 373 HA2 GLY 47 1HA GLY 47 11.369 4.003 -9.596 374 HA3 GLY 47 2HA GLY 47 9.777 3.258 -9.474 375 H ASP 48 H ASP 48 7.997 4.496 -9.592 376 HA ASP 48 HA ASP 48 7.671 7.087 -8.715 377 HB2 ASP 48 1HB ASP 48 7.716 8.490 -10.663 378 HB3 ASP 48 2HB ASP 48 9.276 7.690 -10.548 379 H ARG 49 H ARG 49 6.814 5.023 -11.472 380 HA ARG 49 HA ARG 49 4.153 5.861 -11.682 381 HB2 ARG 49 1HB ARG 49 5.555 3.338 -12.533 382 HB3 ARG 49 2HB ARG 49 3.848 3.614 -12.863 383 HG2 ARG 49 1HG ARG 49 4.333 5.531 -14.190 384 HG3 ARG 49 2HG ARG 49 6.027 5.507 -13.709 385 HD2 ARG 49 1HD ARG 49 4.694 3.282 -15.240 386 HD3 ARG 49 2HD ARG 49 5.542 4.621 -16.012 387 HE ARG 49 HE ARG 49 6.708 2.347 -14.680 388 HH11 ARG 49 1HH1 ARG 49 7.228 5.652 -15.743 389 HH12 ARG 49 2HH1 ARG 49 8.963 5.502 -15.771 390 HH21 ARG 49 1HH2 ARG 49 8.968 2.144 -14.730 391 HH22 ARG 49 2HH2 ARG 49 9.953 3.495 -15.194 392 H ALA 50 H ALA 50 5.230 2.705 -10.347 393 HA ALA 50 HA ALA 50 2.712 2.077 -9.267 394 HB1 ALA 50 3HB ALA 50 5.422 1.087 -8.395 395 HB2 ALA 50 1HB ALA 50 4.425 0.394 -9.674 396 HB3 ALA 50 2HB ALA 50 3.873 0.341 -7.999 397 H HIS 51 H HIS 51 5.429 3.843 -7.950 398 HA HIS 51 HA HIS 51 4.610 3.858 -5.245 399 HB2 HIS 51 1HB HIS 51 6.905 4.472 -6.215 400 HB3 HIS 51 2HB HIS 51 6.206 6.043 -6.586 401 HD1 HIS 51 HD1 HIS 51 7.667 4.058 -3.848 402 HD2 HIS 51 HD2 HIS 51 5.534 7.604 -4.258 403 HE1 HIS 51 HE1 HIS 51 7.943 5.269 -1.662 404 HE2 HIS 51 HE2 HIS 51 6.760 7.472 -1.978 405 H GLU 52 H GLU 52 4.100 6.133 -7.925 406 HA GLU 52 HA GLU 52 2.578 8.007 -6.457 407 HB2 GLU 52 1HB GLU 52 3.606 8.630 -8.555 408 HB3 GLU 52 2HB GLU 52 2.682 7.405 -9.415 409 HG2 GLU 52 1HG GLU 52 0.608 8.619 -8.779 410 HG3 GLU 52 2HG GLU 52 1.620 9.896 -8.106 411 H GLN 53 H GLN 53 1.654 5.294 -8.557 412 HA GLN 53 HA GLN 53 -1.101 5.651 -8.546 413 HB2 GLN 53 1HB GLN 53 0.439 3.047 -8.584 414 HB3 GLN 53 2HB GLN 53 -1.253 3.226 -9.027 415 HG2 GLN 53 1HG GLN 53 -0.654 4.636 -10.892 416 HG3 GLN 53 2HG GLN 53 1.041 4.588 -10.417 417 HE21 GLN 53 2HE2 GLN 53 -0.155 3.794 -12.923 418 HE22 GLN 53 1HE2 GLN 53 0.247 2.127 -13.148 419 H ALA 54 H ALA 54 0.868 3.682 -6.331 420 HA ALA 54 HA ALA 54 -1.213 2.766 -4.710 421 HB1 ALA 54 3HB ALA 54 1.641 3.296 -3.905 422 HB2 ALA 54 1HB ALA 54 1.052 1.832 -4.692 423 HB3 ALA 54 2HB ALA 54 0.496 2.245 -3.070 424 H LEU 55 H LEU 55 0.747 5.708 -4.456 425 HA LEU 55 HA LEU 55 -0.307 6.560 -1.973 426 HB2 LEU 55 1HB LEU 55 0.971 8.108 -4.222 427 HB3 LEU 55 2HB LEU 55 0.544 8.813 -2.676 428 HG LEU 55 HG LEU 55 2.542 6.586 -3.087 429 HD11 LEU 55 1HD1 LEU 55 4.200 8.275 -2.468 430 HD12 LEU 55 2HD1 LEU 55 2.932 9.499 -2.410 431 HD13 LEU 55 3HD1 LEU 55 3.341 8.724 -3.940 432 HD21 LEU 55 3HD2 LEU 55 1.765 8.121 -0.609 433 HD22 LEU 55 1HD2 LEU 55 3.085 6.957 -0.724 434 HD23 LEU 55 2HD2 LEU 55 1.417 6.422 -0.932 435 H ARG 56 H ARG 56 -1.204 7.306 -5.334 436 HA ARG 56 HA ARG 56 -3.147 9.246 -4.651 437 HB2 ARG 56 1HB ARG 56 -2.100 8.961 -6.923 438 HB3 ARG 56 2HB ARG 56 -3.121 7.547 -7.148 439 HG2 ARG 56 1HG ARG 56 -5.111 8.897 -6.992 440 HG3 ARG 56 2HG ARG 56 -4.150 10.326 -6.612 441 HD2 ARG 56 1HD ARG 56 -4.710 10.504 -8.892 442 HD3 ARG 56 2HD ARG 56 -3.022 10.004 -8.848 443 HE ARG 56 HE ARG 56 -4.647 7.715 -9.028 444 HH11 ARG 56 1HH1 ARG 56 -3.651 10.473 -10.946 445 HH12 ARG 56 2HH1 ARG 56 -3.919 9.674 -12.462 446 HH21 ARG 56 1HH2 ARG 56 -4.986 6.661 -11.039 447 HH22 ARG 56 2HH2 ARG 56 -4.680 7.528 -12.519 448 H LEU 57 H LEU 57 -3.294 5.761 -5.098 449 HA LEU 57 HA LEU 57 -6.075 5.436 -5.052 450 HB2 LEU 57 1HB LEU 57 -3.887 3.620 -4.047 451 HB3 LEU 57 2HB LEU 57 -5.565 3.139 -4.205 452 HG LEU 57 HG LEU 57 -3.850 4.060 -6.511 453 HD11 LEU 57 1HD1 LEU 57 -4.586 1.266 -5.656 454 HD12 LEU 57 2HD1 LEU 57 -2.977 1.985 -5.592 455 HD13 LEU 57 3HD1 LEU 57 -3.756 1.702 -7.149 456 HD21 LEU 57 3HD2 LEU 57 -5.635 3.132 -7.882 457 HD22 LEU 57 1HD2 LEU 57 -6.255 4.396 -6.819 458 HD23 LEU 57 2HD2 LEU 57 -6.540 2.699 -6.431 459 H CYS 58 H CYS 58 -3.724 5.384 -2.385 460 HA CYS 58 HA CYS 58 -5.645 4.989 -0.345 461 HB2 CYS 58 1HB CYS 58 -2.917 6.268 -0.092 462 HB3 CYS 58 2HB CYS 58 -3.855 5.523 1.198 463 HG CYS 58 HG CYS 58 -2.248 3.971 -1.384 464 H ARG 59 H ARG 59 -4.379 7.819 -1.936 465 HA ARG 59 HA ARG 59 -5.449 9.742 -0.133 466 HB2 ARG 59 1HB ARG 59 -3.653 10.399 -1.561 467 HB3 ARG 59 2HB ARG 59 -4.514 9.874 -2.997 468 HG2 ARG 59 1HG ARG 59 -6.034 11.704 -2.846 469 HG3 ARG 59 2HG ARG 59 -5.402 12.164 -1.262 470 HD2 ARG 59 1HD ARG 59 -3.351 12.868 -2.165 471 HD3 ARG 59 2HD ARG 59 -3.650 12.051 -3.698 472 HE ARG 59 HE ARG 59 -5.247 13.761 -4.237 473 HH11 ARG 59 1HH1 ARG 59 -3.399 14.407 -1.327 474 HH12 ARG 59 2HH1 ARG 59 -3.549 16.134 -1.475 475 HH21 ARG 59 1HH2 ARG 59 -5.378 16.029 -4.454 476 HH22 ARG 59 2HH2 ARG 59 -4.644 17.051 -3.255 477 H ALA 60 H ALA 60 -6.625 8.189 -3.074 478 HA ALA 60 HA ALA 60 -8.964 9.739 -3.379 479 HB1 ALA 60 3HB ALA 60 -9.725 7.963 -4.868 480 HB2 ALA 60 1HB ALA 60 -8.440 6.909 -4.277 481 HB3 ALA 60 2HB ALA 60 -8.037 8.370 -5.179 482 H SER 61 H SER 61 -8.312 6.734 -1.609 483 HA SER 61 HA SER 61 -10.977 6.256 -0.819 484 HB2 SER 61 1HB SER 61 -9.617 5.112 1.189 485 HB3 SER 61 2HB SER 61 -9.717 4.394 -0.418 486 HG SER 61 HG SER 61 -7.610 5.937 0.682 487 H LEU 62 H LEU 62 -8.430 8.272 0.562 488 HA LEU 62 HA LEU 62 -9.811 8.944 2.952 489 HB2 LEU 62 1HB LEU 62 -7.591 10.259 1.412 490 HB3 LEU 62 2HB LEU 62 -8.278 11.011 2.836 491 HG LEU 62 HG LEU 62 -7.053 8.253 2.844 492 HD11 LEU 62 1HD1 LEU 62 -5.823 10.887 3.654 493 HD12 LEU 62 2HD1 LEU 62 -5.369 9.923 2.248 494 HD13 LEU 62 3HD1 LEU 62 -5.101 9.293 3.873 495 HD21 LEU 62 3HD2 LEU 62 -8.643 8.651 4.644 496 HD22 LEU 62 1HD2 LEU 62 -7.826 10.160 5.056 497 HD23 LEU 62 2HD2 LEU 62 -6.997 8.619 5.279 498 H MET 63 H MET 63 -10.197 9.880 -0.306 499 HA MET 63 HA MET 63 -11.752 12.258 0.387 500 HB2 MET 63 1HB MET 63 -11.018 11.104 -2.313 501 HB3 MET 63 2HB MET 63 -11.884 12.612 -2.054 502 HG2 MET 63 1HG MET 63 -9.943 13.537 -0.907 503 HG3 MET 63 2HG MET 63 -9.075 12.024 -1.150 504 HE1 MET 63 3HE MET 63 -10.657 15.164 -2.847 505 HE2 MET 63 1HE MET 63 -11.499 13.851 -3.670 506 HE3 MET 63 2HE MET 63 -10.353 14.860 -4.557 507 H GLY 64 H GLY 64 -12.309 9.083 0.417 508 HA2 GLY 64 1HA GLY 64 -14.276 7.889 0.528 509 HA3 GLY 64 2HA GLY 64 -15.147 9.381 0.212 510 H ASP 65 H ASP 65 -12.647 8.239 -1.930 511 HA ASP 65 HA ASP 65 -14.681 7.893 -4.016 512 HB2 ASP 65 1HB ASP 65 -12.543 9.386 -4.207 513 HB3 ASP 65 2HB ASP 65 -11.718 7.861 -4.512 514 H VAL 66 H VAL 66 -11.653 6.337 -2.995 515 HA VAL 66 HA VAL 66 -12.478 3.816 -4.177 516 HB VAL 66 HB VAL 66 -9.948 4.577 -2.699 517 HG11 VAL 66 1HG1 VAL 66 -9.023 2.476 -3.516 518 HG12 VAL 66 2HG1 VAL 66 -10.583 2.054 -4.222 519 HG13 VAL 66 3HG1 VAL 66 -10.415 2.192 -2.472 520 HG21 VAL 66 3HG2 VAL 66 -8.915 4.485 -4.927 521 HG22 VAL 66 1HG2 VAL 66 -10.175 5.713 -4.831 522 HG23 VAL 66 2HG2 VAL 66 -10.499 4.180 -5.638 523 H ALA 67 H ALA 67 -13.294 2.113 -3.065 524 HA ALA 67 HA ALA 67 -13.599 2.481 -0.159 525 HB1 ALA 67 3HB ALA 67 -15.749 1.371 -0.331 526 HB2 ALA 67 1HB ALA 67 -15.508 1.134 -2.063 527 HB3 ALA 67 2HB ALA 67 -15.686 2.764 -1.411 528 H GLY 68 H GLY 68 -12.360 1.132 0.917 529 HA2 GLY 68 1HA GLY 68 -11.548 -0.821 1.789 530 HA3 GLY 68 2HA GLY 68 -13.095 -1.475 1.294 531 H GLU 69 H GLU 69 -13.196 -2.884 -0.346 532 HA GLU 69 HA GLU 69 -10.962 -4.478 -0.821 533 HB2 GLU 69 1HB GLU 69 -13.689 -4.320 -2.055 534 HB3 GLU 69 2HB GLU 69 -12.490 -5.441 -2.688 535 HG2 GLU 69 1HG GLU 69 -13.273 -5.372 0.207 536 HG3 GLU 69 2HG GLU 69 -14.115 -6.355 -0.991 537 H ILE 70 H ILE 70 -12.272 -1.832 -2.722 538 HA ILE 70 HA ILE 70 -10.898 -2.327 -5.123 539 HB ILE 70 HB ILE 70 -11.575 0.377 -3.949 540 HG12 ILE 70 1HG1 ILE 70 -13.203 -1.392 -5.794 541 HG13 ILE 70 2HG1 ILE 70 -13.544 -1.119 -4.087 542 HG21 ILE 70 1HG2 ILE 70 -11.596 1.099 -6.311 543 HG22 ILE 70 2HG2 ILE 70 -11.019 -0.501 -6.779 544 HG23 ILE 70 3HG2 ILE 70 -10.009 0.542 -5.778 545 HD11 ILE 70 3HD1 ILE 70 -13.568 0.981 -6.242 546 HD12 ILE 70 1HD1 ILE 70 -13.932 1.240 -4.536 547 HD13 ILE 70 2HD1 ILE 70 -14.984 0.219 -5.516 548 H ALA 71 H ALA 71 -9.989 -0.434 -2.267 549 HA ALA 71 HA ALA 71 -7.417 0.288 -3.256 550 HB1 ALA 71 3HB ALA 71 -6.977 1.069 -0.986 551 HB2 ALA 71 1HB ALA 71 -8.440 0.269 -0.417 552 HB3 ALA 71 2HB ALA 71 -8.556 1.618 -1.545 553 H ARG 72 H ARG 72 -8.681 -2.302 -1.254 554 HA ARG 72 HA ARG 72 -6.275 -3.411 -0.352 555 HB2 ARG 72 1HB ARG 72 -8.087 -4.313 0.736 556 HB3 ARG 72 2HB ARG 72 -9.064 -4.390 -0.720 557 HG2 ARG 72 1HG ARG 72 -8.608 -6.611 0.036 558 HG3 ARG 72 2HG ARG 72 -7.739 -6.334 -1.470 559 HD2 ARG 72 1HD ARG 72 -6.166 -7.418 -0.168 560 HD3 ARG 72 2HD ARG 72 -5.753 -5.723 0.068 561 HE ARG 72 HE ARG 72 -6.460 -5.868 2.271 562 HH11 ARG 72 1HH1 ARG 72 -7.392 -8.778 0.572 563 HH12 ARG 72 2HH1 ARG 72 -7.512 -9.732 2.015 564 HH21 ARG 72 1HH2 ARG 72 -6.602 -7.148 4.184 565 HH22 ARG 72 2HH2 ARG 72 -7.056 -8.828 4.058 566 H THR 73 H THR 73 -8.206 -4.298 -3.219 567 HA THR 73 HA THR 73 -6.385 -6.281 -4.095 568 HB THR 73 HB THR 73 -8.377 -4.828 -5.840 569 HG1 THR 73 HG1 THR 73 -9.678 -5.489 -4.229 570 HG21 THR 73 3HG2 THR 73 -7.328 -7.661 -5.860 571 HG22 THR 73 1HG2 THR 73 -6.867 -6.384 -6.985 572 HG23 THR 73 2HG2 THR 73 -8.521 -6.996 -6.976 573 H ALA 74 H ALA 74 -6.755 -2.854 -4.809 574 HA ALA 74 HA ALA 74 -4.911 -2.818 -6.985 575 HB1 ALA 74 3HB ALA 74 -5.054 -0.386 -6.798 576 HB2 ALA 74 1HB ALA 74 -5.917 -0.553 -5.268 577 HB3 ALA 74 2HB ALA 74 -6.654 -1.130 -6.763 578 H PHE 75 H PHE 75 -4.653 -2.316 -3.514 579 HA PHE 75 HA PHE 75 -2.059 -1.229 -3.443 580 HB2 PHE 75 1HB PHE 75 -3.854 -1.511 -1.556 581 HB3 PHE 75 2HB PHE 75 -3.083 -3.072 -1.301 582 HD1 PHE 75 HD2 PHE 75 -0.794 -3.206 -0.459 583 HD2 PHE 75 HD1 PHE 75 -2.759 0.532 -0.981 584 HE1 PHE 75 HE2 PHE 75 0.910 -2.116 0.941 585 HE2 PHE 75 HE1 PHE 75 -1.058 1.624 0.419 586 HZ PHE 75 HZ PHE 75 0.778 0.300 1.381 587 H VAL 76 H VAL 76 -3.240 -4.557 -3.391 588 HA VAL 76 HA VAL 76 -0.722 -5.814 -3.131 589 HB VAL 76 HB VAL 76 -3.268 -6.860 -4.391 590 HG11 VAL 76 1HG1 VAL 76 -1.356 -8.153 -5.143 591 HG12 VAL 76 2HG1 VAL 76 -2.320 -9.093 -4.006 592 HG13 VAL 76 3HG1 VAL 76 -0.809 -8.352 -3.479 593 HG21 VAL 76 3HG2 VAL 76 -2.147 -7.195 -1.608 594 HG22 VAL 76 1HG2 VAL 76 -3.595 -7.985 -2.236 595 HG23 VAL 76 2HG2 VAL 76 -3.555 -6.231 -2.059 596 H ALA 77 H ALA 77 -2.590 -4.730 -5.916 597 HA ALA 77 HA ALA 77 -0.976 -5.858 -7.933 598 HB1 ALA 77 3HB ALA 77 -2.029 -4.236 -9.433 599 HB2 ALA 77 1HB ALA 77 -2.668 -3.360 -8.041 600 HB3 ALA 77 2HB ALA 77 -3.218 -5.002 -8.379 601 H ALA 78 H ALA 78 -0.775 -2.796 -6.184 602 HA ALA 78 HA ALA 78 1.370 -1.742 -7.746 603 HB1 ALA 78 3HB ALA 78 0.499 -1.007 -4.952 604 HB2 ALA 78 1HB ALA 78 -0.126 -0.304 -6.444 605 HB3 ALA 78 2HB ALA 78 1.562 -0.059 -5.993 606 H SER 79 H SER 79 1.162 -3.576 -4.749 607 HA SER 79 HA SER 79 3.962 -3.424 -4.179 608 HB2 SER 79 1HB SER 79 1.900 -5.345 -3.072 609 HB3 SER 79 2HB SER 79 3.463 -4.947 -2.357 610 HG SER 79 HG SER 79 1.167 -3.310 -2.615 611 H ARG 80 H ARG 80 2.161 -5.168 -6.389 612 HA ARG 80 HA ARG 80 3.394 -7.695 -6.358 613 HB2 ARG 80 1HB ARG 80 1.275 -7.192 -7.506 614 HB3 ARG 80 2HB ARG 80 2.142 -6.201 -8.668 615 HG2 ARG 80 1HG ARG 80 3.328 -8.154 -9.484 616 HG3 ARG 80 2HG ARG 80 2.517 -9.163 -8.281 617 HD2 ARG 80 1HD ARG 80 0.362 -8.654 -9.277 618 HD3 ARG 80 2HD ARG 80 1.135 -7.584 -10.445 619 HE ARG 80 HE ARG 80 2.394 -9.876 -10.959 620 HH11 ARG 80 1HH1 ARG 80 -1.015 -9.204 -10.477 621 HH12 ARG 80 2HH1 ARG 80 -1.545 -10.505 -11.505 622 HH21 ARG 80 1HH2 ARG 80 1.705 -11.548 -12.340 623 HH22 ARG 80 2HH2 ARG 80 0.005 -11.826 -12.591 624 H GLN 81 H GLN 81 4.427 -4.623 -7.600 625 HA GLN 81 HA GLN 81 6.335 -5.534 -9.477 626 HB2 GLN 81 1HB GLN 81 5.485 -3.213 -9.395 627 HB3 GLN 81 2HB GLN 81 6.334 -2.967 -7.876 628 HG2 GLN 81 1HG GLN 81 8.466 -3.288 -8.989 629 HG3 GLN 81 2HG GLN 81 7.641 -3.612 -10.512 630 HE21 GLN 81 2HE2 GLN 81 9.594 -1.544 -9.833 631 HE22 GLN 81 1HE2 GLN 81 8.819 -0.038 -10.186 632 H ALA 82 H ALA 82 6.365 -5.282 -6.016 633 HA ALA 82 HA ALA 82 9.249 -5.579 -5.837 634 HB1 ALA 82 3HB ALA 82 8.096 -4.162 -4.219 635 HB2 ALA 82 1HB ALA 82 8.896 -5.514 -3.418 636 HB3 ALA 82 2HB ALA 82 7.151 -5.546 -3.670 637 H HIS 83 H HIS 83 6.429 -7.535 -5.859 638 HA HIS 83 HA HIS 83 6.073 -9.770 -5.850 639 HB2 HIS 83 1HB HIS 83 9.063 -9.859 -6.274 640 HB3 HIS 83 2HB HIS 83 8.019 -11.273 -6.355 641 HD1 HIS 83 HD1 HIS 83 5.935 -10.907 -8.184 642 HD2 HIS 83 HD2 HIS 83 9.421 -8.693 -8.693 643 HE1 HIS 83 HE1 HIS 83 5.914 -10.150 -10.581 644 HE2 HIS 83 HE2 HIS 83 8.076 -8.899 -10.900 645 H CYS 84 H CYS 84 6.735 -8.325 -3.333 646 HA CYS 84 HA CYS 84 7.403 -10.686 -1.713 647 HB2 CYS 84 1HB CYS 84 9.104 -8.846 -1.575 648 HB3 CYS 84 2HB CYS 84 7.849 -7.789 -0.942 649 HG CYS 84 HG CYS 84 7.959 -8.554 1.519 650 H LEU 85 H LEU 85 5.137 -11.158 -1.953 651 HA LEU 85 HA LEU 85 3.321 -9.357 -0.506 652 HB2 LEU 85 1HB LEU 85 2.709 -11.509 -2.536 653 HB3 LEU 85 2HB LEU 85 1.515 -10.501 -1.741 654 HG LEU 85 HG LEU 85 3.685 -9.462 -3.565 655 HD11 LEU 85 1HD1 LEU 85 2.071 -10.857 -4.767 656 HD12 LEU 85 2HD1 LEU 85 1.926 -9.156 -5.207 657 HD13 LEU 85 3HD1 LEU 85 0.753 -9.887 -4.113 658 HD21 LEU 85 3HD2 LEU 85 1.265 -8.129 -2.358 659 HD22 LEU 85 1HD2 LEU 85 2.375 -7.395 -3.517 660 HD23 LEU 85 2HD2 LEU 85 2.946 -7.840 -1.907 661 H MET 86 H MET 86 1.527 -10.418 0.658 662 HA MET 86 HA MET 86 2.214 -13.063 1.725 663 HB2 MET 86 1HB MET 86 2.059 -10.541 3.188 664 HB3 MET 86 2HB MET 86 0.992 -11.772 3.851 665 HG2 MET 86 1HG MET 86 3.935 -12.141 3.351 666 HG3 MET 86 2HG MET 86 3.219 -11.726 4.906 667 HE1 MET 86 3HE MET 86 0.566 -13.451 4.943 668 HE2 MET 86 1HE MET 86 1.673 -13.343 6.311 669 HE3 MET 86 2HE MET 86 1.126 -14.921 5.742 670 H GLU 87 H GLU 87 0.326 -14.042 2.889 671 HA GLU 87 HA GLU 87 -2.046 -13.622 1.254 672 HB2 GLU 87 1HB GLU 87 -0.966 -15.875 2.862 673 HB3 GLU 87 2HB GLU 87 -2.712 -15.770 2.687 674 HG2 GLU 87 1HG GLU 87 -0.738 -15.854 0.416 675 HG3 GLU 87 2HG GLU 87 -1.685 -17.221 1.003 676 H ASP 88 H ASP 88 -3.937 -12.929 1.970 677 HA ASP 88 HA ASP 88 -4.319 -11.977 4.656 678 HB2 ASP 88 1HB ASP 88 -5.423 -10.834 2.829 679 HB3 ASP 88 2HB ASP 88 -6.165 -12.330 2.278 680 H LYS 89 H LYS 89 -4.760 -14.832 2.892 681 HA LYS 89 HA LYS 89 -6.861 -16.111 4.221 682 HB2 LYS 89 1HB LYS 89 -6.154 -16.862 2.079 683 HB3 LYS 89 2HB LYS 89 -4.507 -17.109 2.631 684 HG2 LYS 89 1HG LYS 89 -5.475 -18.894 4.174 685 HG3 LYS 89 2HG LYS 89 -6.934 -18.770 3.184 686 HD2 LYS 89 1HD LYS 89 -5.642 -19.276 1.186 687 HD3 LYS 89 2HD LYS 89 -4.163 -19.345 2.145 688 HE2 LYS 89 1HE LYS 89 -5.180 -21.214 3.442 689 HE3 LYS 89 2HE LYS 89 -6.533 -21.193 2.309 690 HZ1 LYS 89 3HZ LYS 89 -3.687 -21.725 1.651 691 HZ2 LYS 89 1HZ LYS 89 -4.934 -21.607 0.508 692 HZ3 LYS 89 2HZ LYS 89 -4.948 -22.855 1.653 693 H ALA 90 H ALA 90 -3.338 -16.240 4.817 694 HA ALA 90 HA ALA 90 -3.924 -17.975 7.122 695 HB1 ALA 90 3HB ALA 90 -1.864 -19.180 6.705 696 HB2 ALA 90 1HB ALA 90 -1.514 -18.140 5.323 697 HB3 ALA 90 2HB ALA 90 -2.905 -19.225 5.279 698 H GLU 91 H GLU 91 -3.361 -17.199 8.988 699 HA GLU 91 HA GLU 91 -1.284 -15.164 9.240 700 HB2 GLU 91 1HB GLU 91 -3.445 -14.893 10.447 701 HB3 GLU 91 2HB GLU 91 -3.128 -16.388 11.315 702 HG2 GLU 91 1HG GLU 91 -1.134 -15.364 12.311 703 HG3 GLU 91 2HG GLU 91 -1.514 -13.855 11.480 704 H ALA 92 H ALA 92 0.715 -15.625 10.233 705 HA ALA 92 HA ALA 92 1.082 -18.394 11.117 706 HB1 ALA 92 3HB ALA 92 2.873 -17.064 9.092 707 HB2 ALA 92 1HB ALA 92 1.679 -18.317 8.752 708 HB3 ALA 92 2HB ALA 92 3.072 -18.681 9.769 709 HA PRO 93 HA PRO 93 3.761 -16.068 13.944 710 HB2 PRO 93 1HB PRO 93 2.015 -16.007 16.108 711 HB3 PRO 93 2HB PRO 93 2.330 -14.653 15.023 712 HG2 PRO 93 1HG PRO 93 -0.104 -16.100 15.321 713 HG3 PRO 93 2HG PRO 93 0.249 -14.824 14.146 714 HD2 PRO 93 1HD PRO 93 0.293 -17.776 13.809 715 HD3 PRO 93 2HD PRO 93 -0.032 -16.506 12.610 716 H ASN 94 H ASN 94 1.377 -17.848 15.802 717 HA ASN 94 HA ASN 94 2.600 -20.411 15.492 718 HB2 ASN 94 1HB ASN 94 4.110 -19.474 17.210 719 HB3 ASN 94 2HB ASN 94 2.719 -19.110 18.228 720 HD21 ASN 94 2HD2 ASN 94 1.669 -20.777 19.299 721 HD22 ASN 94 1HD2 ASN 94 2.324 -22.376 19.421 722 H THR 95 H THR 95 0.574 -18.432 17.621 723 HA THR 95 HA THR 95 -1.576 -20.428 17.373 724 HB THR 95 HB THR 95 -1.686 -18.027 19.177 725 HG1 THR 95 HG1 THR 95 -0.095 -18.828 20.317 726 HG21 THR 95 3HG2 THR 95 -2.852 -20.805 19.352 727 HG22 THR 95 1HG2 THR 95 -3.719 -19.335 18.907 728 HG23 THR 95 2HG2 THR 95 -3.085 -19.525 20.541 729 H ILE 96 H ILE 96 -3.665 -19.674 16.720 730 HA ILE 96 HA ILE 96 -3.386 -17.538 14.738 731 HB ILE 96 HB ILE 96 -5.570 -19.615 14.978 732 HG12 ILE 96 1HG1 ILE 96 -3.438 -20.690 14.511 733 HG13 ILE 96 2HG1 ILE 96 -4.444 -20.717 13.068 734 HG21 ILE 96 1HG2 ILE 96 -6.299 -17.618 13.795 735 HG22 ILE 96 2HG2 ILE 96 -6.123 -18.969 12.674 736 HG23 ILE 96 3HG2 ILE 96 -4.890 -17.712 12.739 737 HD11 ILE 96 3HD1 ILE 96 -2.114 -20.208 12.559 738 HD12 ILE 96 1HD1 ILE 96 -2.197 -18.786 13.595 739 HD13 ILE 96 2HD1 ILE 96 -3.179 -18.869 12.132 740 H ALA 97 H ALA 97 -4.475 -15.673 14.843 741 HA ALA 97 HA ALA 97 -6.162 -15.121 17.116 742 HB1 ALA 97 3HB ALA 97 -6.325 -12.867 16.190 743 HB2 ALA 97 1HB ALA 97 -5.509 -13.406 14.721 744 HB3 ALA 97 2HB ALA 97 -4.648 -13.409 16.261 745 H SER 98 H SER 98 -7.909 -16.530 16.848 746 HA SER 98 HA SER 98 -9.512 -16.384 14.443 747 HB2 SER 98 1HB SER 98 -10.975 -18.003 15.826 748 HB3 SER 98 2HB SER 98 -9.374 -18.558 15.332 749 HG SER 98 HG SER 98 -9.937 -17.366 17.851 750 H GLY 99 H GLY 99 -10.908 -14.783 14.155 751 HA2 GLY 99 1HA GLY 99 -12.911 -14.181 16.091 752 HA3 GLY 99 2HA GLY 99 -11.702 -12.905 16.023 753 H SER 100 H SER 100 -14.258 -14.542 14.309 754 HA SER 100 HA SER 100 -14.226 -12.364 12.323 755 HB2 SER 100 1HB SER 100 -13.583 -14.590 11.372 756 HB3 SER 100 2HB SER 100 -15.164 -15.207 11.847 757 HG SER 100 HG SER 100 -16.133 -13.877 10.384 Start of MODEL 6 1 H1 MET 1 1H MET 1 -14.355 11.983 16.755 2 H2 MET 1 2H MET 1 -14.266 13.060 15.450 3 H3 MET 1 3H MET 1 -15.412 11.806 15.439 4 HA MET 1 HA MET 1 -16.536 13.811 15.954 5 HB2 MET 1 1HB MET 1 -16.075 12.110 18.412 6 HB3 MET 1 2HB MET 1 -17.347 13.315 18.273 7 HG2 MET 1 1HG MET 1 -18.343 12.081 16.438 8 HG3 MET 1 2HG MET 1 -17.045 10.893 16.515 9 HE1 MET 1 3HE MET 1 -20.190 10.229 16.620 10 HE2 MET 1 1HE MET 1 -20.203 8.969 17.855 11 HE3 MET 1 2HE MET 1 -18.927 8.996 16.637 12 H GLU 2 H GLU 2 -15.525 15.737 15.867 13 HA GLU 2 HA GLU 2 -13.986 16.553 18.247 14 HB2 GLU 2 1HB GLU 2 -13.719 17.764 15.491 15 HB3 GLU 2 2HB GLU 2 -12.662 17.997 16.872 16 HG2 GLU 2 1HG GLU 2 -11.426 16.592 15.537 17 HG3 GLU 2 2HG GLU 2 -12.200 15.462 16.644 18 H VAL 3 H VAL 3 -14.021 19.111 18.361 19 HA VAL 3 HA VAL 3 -16.715 20.015 18.517 20 HB VAL 3 HB VAL 3 -14.124 21.589 18.548 21 HG11 VAL 3 1HG1 VAL 3 -15.439 23.427 19.499 22 HG12 VAL 3 2HG1 VAL 3 -16.914 22.490 19.266 23 HG13 VAL 3 3HG1 VAL 3 -15.977 23.022 17.869 24 HG21 VAL 3 3HG2 VAL 3 -14.346 20.026 20.404 25 HG22 VAL 3 1HG2 VAL 3 -15.932 20.692 20.790 26 HG23 VAL 3 2HG2 VAL 3 -14.490 21.691 20.966 27 H GLN 4 H GLN 4 -14.024 20.710 16.317 28 HA GLN 4 HA GLN 4 -15.930 21.645 14.297 29 HB2 GLN 4 1HB GLN 4 -12.902 21.646 14.358 30 HB3 GLN 4 2HB GLN 4 -13.862 22.211 12.995 31 HG2 GLN 4 1HG GLN 4 -14.876 23.920 14.423 32 HG3 GLN 4 2HG GLN 4 -13.901 23.359 15.779 33 HE21 GLN 4 2HE2 GLN 4 -14.024 25.967 14.467 34 HE22 GLN 4 1HE2 GLN 4 -12.401 26.319 13.960 35 H SER 5 H SER 5 -14.618 20.795 11.976 36 HA SER 5 HA SER 5 -14.740 17.870 12.266 37 HB2 SER 5 1HB SER 5 -15.763 17.894 9.926 38 HB3 SER 5 2HB SER 5 -16.795 18.445 11.245 39 HG SER 5 HG SER 5 -16.217 19.740 9.050 40 H MET 6 H MET 6 -12.887 16.948 11.755 41 HA MET 6 HA MET 6 -10.896 18.263 10.162 42 HB2 MET 6 1HB MET 6 -11.052 15.395 11.114 43 HB3 MET 6 2HB MET 6 -9.639 16.147 10.388 44 HG2 MET 6 1HG MET 6 -9.572 17.748 12.262 45 HG3 MET 6 2HG MET 6 -10.927 16.897 13.000 46 HE1 MET 6 3HE MET 6 -10.789 14.333 13.811 47 HE2 MET 6 1HE MET 6 -9.328 13.353 13.668 48 HE3 MET 6 2HE MET 6 -10.194 13.861 12.217 49 H LEU 7 H LEU 7 -10.079 17.529 8.130 50 HA LEU 7 HA LEU 7 -12.210 16.544 6.400 51 HB2 LEU 7 1HB LEU 7 -9.464 17.602 5.714 52 HB3 LEU 7 2HB LEU 7 -10.726 17.214 4.560 53 HG LEU 7 HG LEU 7 -10.863 19.400 6.640 54 HD11 LEU 7 1HD1 LEU 7 -10.755 20.911 4.718 55 HD12 LEU 7 2HD1 LEU 7 -10.523 19.529 3.648 56 HD13 LEU 7 3HD1 LEU 7 -9.301 19.925 4.856 57 HD21 LEU 7 3HD2 LEU 7 -12.800 18.627 4.461 58 HD22 LEU 7 1HD2 LEU 7 -12.920 20.064 5.477 59 HD23 LEU 7 2HD2 LEU 7 -13.059 18.460 6.197 60 H LEU 8 H LEU 8 -9.343 15.463 7.910 61 HA LEU 8 HA LEU 8 -8.777 13.312 6.105 62 HB2 LEU 8 1HB LEU 8 -7.889 13.757 8.957 63 HB3 LEU 8 2HB LEU 8 -7.251 12.529 7.881 64 HG LEU 8 HG LEU 8 -7.002 15.512 7.478 65 HD11 LEU 8 1HD1 LEU 8 -5.640 14.711 9.327 66 HD12 LEU 8 2HD1 LEU 8 -4.627 15.141 7.948 67 HD13 LEU 8 3HD1 LEU 8 -4.965 13.446 8.300 68 HD21 LEU 8 3HD2 LEU 8 -5.847 13.209 5.907 69 HD22 LEU 8 1HD2 LEU 8 -5.484 14.915 5.652 70 HD23 LEU 8 2HD2 LEU 8 -7.113 14.307 5.361 71 H ASN 9 H ASN 9 -10.311 11.812 5.840 72 HA ASN 9 HA ASN 9 -11.992 10.982 8.043 73 HB2 ASN 9 1HB ASN 9 -12.872 11.202 5.716 74 HB3 ASN 9 2HB ASN 9 -11.840 9.857 5.236 75 HD21 ASN 9 2HD2 ASN 9 -13.600 8.616 4.617 76 HD22 ASN 9 1HD2 ASN 9 -14.659 7.869 5.765 77 H ASP 10 H ASP 10 -11.590 9.346 9.366 78 HA ASP 10 HA ASP 10 -9.292 7.677 9.027 79 HB2 ASP 10 1HB ASP 10 -9.885 8.239 11.272 80 HB3 ASP 10 2HB ASP 10 -11.535 7.667 11.051 81 H VAL 11 H VAL 11 -9.540 6.533 7.162 82 HA VAL 11 HA VAL 11 -11.803 4.688 6.996 83 HB VAL 11 HB VAL 11 -9.666 5.209 4.919 84 HG11 VAL 11 1HG1 VAL 11 -12.315 3.781 4.737 85 HG12 VAL 11 2HG1 VAL 11 -10.719 3.032 4.678 86 HG13 VAL 11 3HG1 VAL 11 -11.236 4.114 3.384 87 HG21 VAL 11 3HG2 VAL 11 -10.978 7.223 5.328 88 HG22 VAL 11 1HG2 VAL 11 -12.469 6.309 5.103 89 HG23 VAL 11 2HG2 VAL 11 -11.360 6.535 3.751 90 H LYS 12 H LYS 12 -11.281 3.162 8.491 91 HA LYS 12 HA LYS 12 -8.698 1.877 8.447 92 HB2 LYS 12 1HB LYS 12 -11.192 1.473 10.079 93 HB3 LYS 12 2HB LYS 12 -9.837 0.354 10.167 94 HG2 LYS 12 1HG LYS 12 -8.368 2.196 10.842 95 HG3 LYS 12 2HG LYS 12 -9.741 3.302 10.777 96 HD2 LYS 12 1HD LYS 12 -10.830 2.196 12.571 97 HD3 LYS 12 2HD LYS 12 -9.700 0.842 12.509 98 HE2 LYS 12 1HE LYS 12 -9.189 2.290 14.389 99 HE3 LYS 12 2HE LYS 12 -7.885 2.327 13.206 100 HZ1 LYS 12 3HZ LYS 12 -8.375 4.534 14.015 101 HZ2 LYS 12 1HZ LYS 12 -9.991 4.394 13.538 102 HZ3 LYS 12 2HZ LYS 12 -8.773 4.438 12.369 103 H TRP 13 H TRP 13 -8.521 -0.488 8.259 104 HA TRP 13 HA TRP 13 -10.079 -1.308 5.923 105 HB2 TRP 13 1HB TRP 13 -7.293 -1.496 6.608 106 HB3 TRP 13 2HB TRP 13 -7.947 -3.103 6.294 107 HD1 TRP 13 HD1 TRP 13 -10.072 -2.090 4.063 108 HE1 TRP 13 HE1 TRP 13 -9.199 -1.524 1.721 109 HE3 TRP 13 HE3 TRP 13 -5.152 -1.334 5.218 110 HZ2 TRP 13 HZ2 TRP 13 -6.723 -0.848 0.511 111 HZ3 TRP 13 HZ3 TRP 13 -3.595 -0.733 3.412 112 HH2 TRP 13 HH2 TRP 13 -4.366 -0.496 1.106 113 H GLU 14 H GLU 14 -11.493 -2.841 6.048 114 HA GLU 14 HA GLU 14 -11.697 -4.436 8.476 115 HB2 GLU 14 1HB GLU 14 -13.499 -4.325 6.048 116 HB3 GLU 14 2HB GLU 14 -13.854 -5.162 7.556 117 HG2 GLU 14 1HG GLU 14 -13.855 -3.054 8.754 118 HG3 GLU 14 2HG GLU 14 -13.432 -2.195 7.276 119 H LYS 15 H LYS 15 -10.577 -4.620 5.279 120 HA LYS 15 HA LYS 15 -9.803 -7.418 5.713 121 HB2 LYS 15 1HB LYS 15 -10.509 -6.160 3.046 122 HB3 LYS 15 2HB LYS 15 -9.932 -7.803 3.286 123 HG2 LYS 15 1HG LYS 15 -12.531 -6.682 4.315 124 HG3 LYS 15 2HG LYS 15 -12.338 -7.740 2.916 125 HD2 LYS 15 1HD LYS 15 -11.528 -9.524 4.323 126 HD3 LYS 15 2HD LYS 15 -11.547 -8.465 5.735 127 HE2 LYS 15 1HE LYS 15 -13.989 -8.229 5.484 128 HE3 LYS 15 2HE LYS 15 -13.938 -9.356 4.131 129 HZ1 LYS 15 3HZ LYS 15 -14.582 -10.422 6.220 130 HZ2 LYS 15 1HZ LYS 15 -13.093 -9.986 6.908 131 HZ3 LYS 15 2HZ LYS 15 -13.139 -11.071 5.606 132 HA PRO 16 HA PRO 16 -6.195 -4.630 5.609 133 HB2 PRO 16 1HB PRO 16 -4.889 -6.846 7.030 134 HB3 PRO 16 2HB PRO 16 -5.121 -5.170 7.532 135 HG2 PRO 16 1HG PRO 16 -6.480 -7.183 8.673 136 HG3 PRO 16 2HG PRO 16 -7.211 -5.586 8.420 137 HD2 PRO 16 1HD PRO 16 -7.540 -8.097 6.814 138 HD3 PRO 16 2HD PRO 16 -8.770 -6.920 7.328 139 H VAL 17 H VAL 17 -3.900 -4.900 4.997 140 HA VAL 17 HA VAL 17 -3.494 -7.108 3.091 141 HB VAL 17 HB VAL 17 -2.439 -4.283 2.813 142 HG11 VAL 17 1HG1 VAL 17 -2.257 -6.647 0.949 143 HG12 VAL 17 2HG1 VAL 17 -0.930 -5.946 1.873 144 HG13 VAL 17 3HG1 VAL 17 -1.702 -5.012 0.592 145 HG21 VAL 17 3HG2 VAL 17 -4.612 -5.687 1.259 146 HG22 VAL 17 1HG2 VAL 17 -3.963 -4.084 0.908 147 HG23 VAL 17 2HG2 VAL 17 -4.845 -4.371 2.410 148 H THR 18 H THR 18 -1.577 -8.187 3.237 149 HA THR 18 HA THR 18 0.091 -7.536 5.544 150 HB THR 18 HB THR 18 0.228 -10.036 3.858 151 HG1 THR 18 HG1 THR 18 -1.366 -10.897 5.075 152 HG21 THR 18 3HG2 THR 18 1.153 -11.021 5.900 153 HG22 THR 18 1HG2 THR 18 0.997 -9.470 6.724 154 HG23 THR 18 2HG2 THR 18 2.115 -9.641 5.370 155 H ILE 19 H ILE 19 1.638 -6.084 4.964 156 HA ILE 19 HA ILE 19 3.231 -6.630 2.555 157 HB ILE 19 HB ILE 19 3.098 -4.204 4.353 158 HG12 ILE 19 1HG1 ILE 19 1.286 -4.458 2.687 159 HG13 ILE 19 2HG1 ILE 19 2.303 -3.057 2.359 160 HG21 ILE 19 1HG2 ILE 19 5.420 -4.552 3.714 161 HG22 ILE 19 2HG2 ILE 19 4.747 -3.150 2.878 162 HG23 ILE 19 3HG2 ILE 19 4.948 -4.678 2.018 163 HD11 ILE 19 3HD1 ILE 19 2.467 -5.714 0.956 164 HD12 ILE 19 1HD1 ILE 19 3.466 -4.300 0.623 165 HD13 ILE 19 2HD1 ILE 19 1.732 -4.243 0.320 166 H SER 20 H SER 20 4.998 -7.827 2.814 167 HA SER 20 HA SER 20 6.165 -8.126 5.460 168 HB2 SER 20 1HB SER 20 5.731 -10.078 3.865 169 HB3 SER 20 2HB SER 20 7.088 -9.472 2.916 170 HG SER 20 HG SER 20 7.209 -11.077 4.961 171 H LEU 21 H LEU 21 7.851 -6.961 6.112 172 HA LEU 21 HA LEU 21 9.154 -5.212 4.202 173 HB2 LEU 21 1HB LEU 21 9.524 -5.405 7.191 174 HB3 LEU 21 2HB LEU 21 10.144 -4.136 6.149 175 HG LEU 21 HG LEU 21 7.240 -4.699 6.739 176 HD11 LEU 21 1HD1 LEU 21 9.019 -2.375 7.458 177 HD12 LEU 21 2HD1 LEU 21 8.406 -3.602 8.568 178 HD13 LEU 21 3HD1 LEU 21 7.288 -2.488 7.780 179 HD21 LEU 21 3HD2 LEU 21 7.530 -3.990 4.429 180 HD22 LEU 21 1HD2 LEU 21 8.486 -2.607 4.961 181 HD23 LEU 21 2HD2 LEU 21 6.778 -2.714 5.388 182 H GLN 22 H GLN 22 11.595 -4.847 4.642 183 HA GLN 22 HA GLN 22 12.846 -7.031 3.453 184 HB2 GLN 22 1HB GLN 22 13.619 -4.737 3.182 185 HB3 GLN 22 2HB GLN 22 14.079 -4.669 4.876 186 HG2 GLN 22 1HG GLN 22 15.783 -6.351 4.511 187 HG3 GLN 22 2HG GLN 22 15.295 -6.505 2.823 188 HE21 GLN 22 2HE2 GLN 22 16.899 -4.517 5.183 189 HE22 GLN 22 1HE2 GLN 22 17.645 -3.439 4.052 190 H ASN 23 H ASN 23 12.838 -6.033 6.845 191 HA ASN 23 HA ASN 23 14.835 -7.889 7.664 192 HB2 ASN 23 1HB ASN 23 14.447 -5.951 9.014 193 HB3 ASN 23 2HB ASN 23 12.740 -6.339 9.192 194 HD21 ASN 23 2HD2 ASN 23 12.106 -7.712 10.769 195 HD22 ASN 23 1HD2 ASN 23 13.174 -8.414 11.933 196 H GLY 24 H GLY 24 11.565 -8.291 6.829 197 HA2 GLY 24 1HA GLY 24 10.579 -10.455 6.646 198 HA3 GLY 24 2HA GLY 24 11.591 -10.996 7.980 199 H ALA 25 H ALA 25 9.640 -8.078 7.824 200 HA ALA 25 HA ALA 25 8.057 -9.111 10.081 201 HB1 ALA 25 3HB ALA 25 8.831 -6.250 9.514 202 HB2 ALA 25 1HB ALA 25 9.550 -7.288 10.744 203 HB3 ALA 25 2HB ALA 25 7.858 -6.810 10.873 204 HA PRO 26 HA PRO 26 4.746 -8.485 7.102 205 HB2 PRO 26 1HB PRO 26 3.065 -9.825 9.064 206 HB3 PRO 26 2HB PRO 26 3.552 -10.377 7.459 207 HG2 PRO 26 1HG PRO 26 4.438 -11.536 9.752 208 HG3 PRO 26 2HG PRO 26 5.386 -11.499 8.255 209 HD2 PRO 26 1HD PRO 26 5.612 -9.757 10.686 210 HD3 PRO 26 2HD PRO 26 6.899 -10.488 9.698 211 H ARG 27 H ARG 27 4.271 -6.349 7.200 212 HA ARG 27 HA ARG 27 3.078 -5.220 9.600 213 HB2 ARG 27 1HB ARG 27 4.740 -3.888 8.418 214 HB3 ARG 27 2HB ARG 27 3.799 -3.977 6.937 215 HG2 ARG 27 1HG ARG 27 3.627 -1.804 8.102 216 HG3 ARG 27 2HG ARG 27 2.074 -2.605 7.870 217 HD2 ARG 27 1HD ARG 27 1.913 -3.190 10.133 218 HD3 ARG 27 2HD ARG 27 3.628 -2.901 10.420 219 HE ARG 27 HE ARG 27 3.219 -0.574 10.439 220 HH11 ARG 27 1HH1 ARG 27 0.240 -2.429 10.101 221 HH12 ARG 27 2HH1 ARG 27 -0.766 -1.119 10.632 222 HH21 ARG 27 1HH2 ARG 27 1.874 1.116 11.150 223 HH22 ARG 27 2HH2 ARG 27 0.152 0.875 11.260 224 H ILE 28 H ILE 28 1.043 -5.801 9.886 225 HA ILE 28 HA ILE 28 -0.802 -6.034 7.658 226 HB ILE 28 HB ILE 28 -1.324 -6.305 10.628 227 HG12 ILE 28 1HG1 ILE 28 -0.868 -8.466 8.556 228 HG13 ILE 28 2HG1 ILE 28 0.317 -7.959 9.756 229 HG21 ILE 28 1HG2 ILE 28 -3.342 -5.814 9.372 230 HG22 ILE 28 2HG2 ILE 28 -3.361 -7.489 9.924 231 HG23 ILE 28 3HG2 ILE 28 -2.981 -7.119 8.242 232 HD11 ILE 28 3HD1 ILE 28 -0.800 -10.007 10.424 233 HD12 ILE 28 1HD1 ILE 28 -2.364 -9.196 10.335 234 HD13 ILE 28 2HD1 ILE 28 -1.178 -8.691 11.539 235 H PHE 29 H PHE 29 -1.743 -4.259 6.877 236 HA PHE 29 HA PHE 29 -1.812 -1.849 8.473 237 HB2 PHE 29 1HB PHE 29 -2.647 -2.395 5.624 238 HB3 PHE 29 2HB PHE 29 -2.738 -0.809 6.392 239 HD1 PHE 29 HD2 PHE 29 -0.604 0.192 7.310 240 HD2 PHE 29 HD1 PHE 29 -0.654 -3.140 4.667 241 HE1 PHE 29 HE2 PHE 29 1.757 0.599 6.760 242 HE2 PHE 29 HE1 PHE 29 1.709 -2.743 4.119 243 HZ PHE 29 HZ PHE 29 2.918 -0.874 5.166 244 H ASN 30 H ASN 30 -3.370 -1.299 9.737 245 HA ASN 30 HA ASN 30 -5.870 -2.787 9.717 246 HB2 ASN 30 1HB ASN 30 -5.019 -0.602 11.628 247 HB3 ASN 30 2HB ASN 30 -6.256 -1.828 11.886 248 HD21 ASN 30 2HD2 ASN 30 -2.856 -1.153 11.779 249 HD22 ASN 30 1HD2 ASN 30 -2.336 -2.615 12.548 250 H GLY 31 H GLY 31 -4.709 -0.061 8.277 251 HA2 GLY 31 1HA GLY 31 -7.342 0.814 7.531 252 HA3 GLY 31 2HA GLY 31 -6.494 1.967 8.554 253 H VAL 32 H VAL 32 -7.310 2.476 5.898 254 HA VAL 32 HA VAL 32 -5.176 2.133 4.056 255 HB VAL 32 HB VAL 32 -7.291 4.295 4.001 256 HG11 VAL 32 1HG1 VAL 32 -6.951 4.209 1.574 257 HG12 VAL 32 2HG1 VAL 32 -5.675 3.013 1.799 258 HG13 VAL 32 3HG1 VAL 32 -5.472 4.649 2.426 259 HG21 VAL 32 3HG2 VAL 32 -8.361 2.131 4.264 260 HG22 VAL 32 1HG2 VAL 32 -7.419 1.480 2.922 261 HG23 VAL 32 2HG2 VAL 32 -8.614 2.744 2.629 262 H TYR 33 H TYR 33 -5.906 4.446 6.530 263 HA TYR 33 HA TYR 33 -4.237 6.559 5.780 264 HB2 TYR 33 1HB TYR 33 -5.940 6.600 7.625 265 HB3 TYR 33 2HB TYR 33 -4.829 5.652 8.606 266 HD1 TYR 33 HD2 TYR 33 -5.433 8.933 7.067 267 HD2 TYR 33 HD1 TYR 33 -2.892 6.674 9.625 268 HE1 TYR 33 HE2 TYR 33 -4.370 11.011 7.835 269 HE2 TYR 33 HE1 TYR 33 -1.822 8.746 10.403 270 HH TYR 33 HH TYR 33 -3.118 11.818 9.811 271 H GLU 34 H GLU 34 -3.557 3.585 7.578 272 HA GLU 34 HA GLU 34 -0.894 4.232 8.277 273 HB2 GLU 34 1HB GLU 34 -2.139 1.504 7.882 274 HB3 GLU 34 2HB GLU 34 -0.597 1.815 8.663 275 HG2 GLU 34 1HG GLU 34 -1.917 3.242 10.312 276 HG3 GLU 34 2HG GLU 34 -3.354 2.470 9.636 277 H ALA 35 H ALA 35 -2.341 2.630 5.496 278 HA ALA 35 HA ALA 35 0.065 1.778 4.291 279 HB1 ALA 35 3HB ALA 35 -1.262 1.470 2.273 280 HB2 ALA 35 1HB ALA 35 -2.578 2.405 2.980 281 HB3 ALA 35 2HB ALA 35 -2.118 0.856 3.685 282 H PHE 36 H PHE 36 -1.959 4.652 3.744 283 HA PHE 36 HA PHE 36 -0.395 5.825 1.744 284 HB2 PHE 36 1HB PHE 36 -2.682 6.566 2.332 285 HB3 PHE 36 2HB PHE 36 -2.069 7.224 3.845 286 HD1 PHE 36 HD2 PHE 36 -1.444 7.458 0.172 287 HD2 PHE 36 HD1 PHE 36 -1.557 9.462 3.926 288 HE1 PHE 36 HE2 PHE 36 -0.970 9.592 -0.956 289 HE2 PHE 36 HE1 PHE 36 -1.083 11.598 2.804 290 HZ PHE 36 HZ PHE 36 -0.789 11.665 0.359 291 H ASP 37 H ASP 37 -0.237 6.126 5.262 292 HA ASP 37 HA ASP 37 1.896 7.944 5.418 293 HB2 ASP 37 1HB ASP 37 0.668 7.498 7.406 294 HB3 ASP 37 2HB ASP 37 0.924 5.764 7.264 295 H PHE 38 H PHE 38 1.901 4.402 5.570 296 HA PHE 38 HA PHE 38 4.597 3.948 5.927 297 HB2 PHE 38 1HB PHE 38 3.031 2.171 6.184 298 HB3 PHE 38 2HB PHE 38 2.481 2.327 4.522 299 HD1 PHE 38 HD1 PHE 38 5.462 1.440 6.551 300 HD2 PHE 38 HD2 PHE 38 3.388 0.995 2.861 301 HE1 PHE 38 HE1 PHE 38 7.056 -0.305 5.867 302 HE2 PHE 38 HE2 PHE 38 4.980 -0.744 2.169 303 HZ PHE 38 HZ PHE 38 6.814 -1.397 3.671 304 H LEU 39 H LEU 39 2.833 4.166 2.865 305 HA LEU 39 HA LEU 39 4.888 3.397 1.154 306 HB2 LEU 39 1HB LEU 39 2.626 5.319 0.614 307 HB3 LEU 39 2HB LEU 39 3.597 4.523 -0.609 308 HG LEU 39 HG LEU 39 1.875 3.041 1.375 309 HD11 LEU 39 1HD1 LEU 39 1.282 3.821 -1.475 310 HD12 LEU 39 2HD1 LEU 39 0.480 4.446 -0.032 311 HD13 LEU 39 3HD1 LEU 39 0.301 2.748 -0.476 312 HD21 LEU 39 3HD2 LEU 39 2.166 1.181 -0.193 313 HD22 LEU 39 1HD2 LEU 39 3.711 1.733 0.454 314 HD23 LEU 39 2HD2 LEU 39 3.228 2.184 -1.181 315 H GLN 40 H GLN 40 4.404 6.427 2.766 316 HA GLN 40 HA GLN 40 6.005 7.906 0.876 317 HB2 GLN 40 1HB GLN 40 4.774 8.674 3.521 318 HB3 GLN 40 2HB GLN 40 5.698 9.783 2.515 319 HG2 GLN 40 1HG GLN 40 4.092 9.594 0.738 320 HG3 GLN 40 2HG GLN 40 3.213 8.345 1.619 321 HE21 GLN 40 2HE2 GLN 40 1.941 8.907 3.355 322 HE22 GLN 40 1HE2 GLN 40 1.474 10.543 3.676 323 H HIS 41 H HIS 41 6.383 7.092 4.350 324 HA HIS 41 HA HIS 41 9.034 8.185 4.311 325 HB2 HIS 41 1HB HIS 41 9.229 7.386 6.652 326 HB3 HIS 41 2HB HIS 41 7.848 8.439 6.373 327 HD1 HIS 41 HD1 HIS 41 8.791 5.018 7.476 328 HD2 HIS 41 HD2 HIS 41 5.340 7.165 6.595 329 HE1 HIS 41 HE1 HIS 41 6.887 3.661 8.404 330 HE2 HIS 41 HE2 HIS 41 4.841 5.101 8.055 331 H GLU 42 H GLU 42 7.705 4.908 4.156 332 HA GLU 42 HA GLU 42 10.395 4.017 3.525 333 HB2 GLU 42 1HB GLU 42 9.926 3.814 6.064 334 HB3 GLU 42 2HB GLU 42 8.911 2.452 5.604 335 HG2 GLU 42 1HG GLU 42 10.854 1.443 4.464 336 HG3 GLU 42 2HG GLU 42 11.845 2.773 5.059 337 H TRP 43 H TRP 43 9.056 3.948 1.482 338 HA TRP 43 HA TRP 43 7.869 1.279 1.233 339 HB2 TRP 43 1HB TRP 43 6.738 3.109 0.038 340 HB3 TRP 43 2HB TRP 43 8.226 3.477 -0.825 341 HD1 TRP 43 HD1 TRP 43 8.278 2.537 -3.187 342 HE1 TRP 43 HE1 TRP 43 7.190 0.563 -4.428 343 HE3 TRP 43 HE3 TRP 43 5.737 0.412 0.715 344 HZ2 TRP 43 HZ2 TRP 43 5.488 -1.600 -3.838 345 HZ3 TRP 43 HZ3 TRP 43 4.404 -1.609 0.287 346 HH2 TRP 43 HH2 TRP 43 4.282 -2.593 -1.945 347 HA PRO 44 HA PRO 44 12.242 0.270 0.687 348 HB2 PRO 44 1HB PRO 44 11.256 -2.502 0.801 349 HB3 PRO 44 2HB PRO 44 12.427 -1.680 1.837 350 HG2 PRO 44 1HG PRO 44 9.977 -2.308 2.723 351 HG3 PRO 44 2HG PRO 44 10.793 -0.816 3.224 352 HD2 PRO 44 1HD PRO 44 8.645 -1.200 1.173 353 HD3 PRO 44 2HD PRO 44 8.816 0.074 2.399 354 H ALA 45 H ALA 45 9.583 -0.661 -1.283 355 HA ALA 45 HA ALA 45 11.273 -2.045 -3.207 356 HB1 ALA 45 3HB ALA 45 9.084 -2.993 -2.701 357 HB2 ALA 45 1HB ALA 45 9.198 -2.524 -4.397 358 HB3 ALA 45 2HB ALA 45 8.307 -1.512 -3.260 359 H ARG 46 H ARG 46 10.696 -1.471 -5.581 360 HA ARG 46 HA ARG 46 10.615 1.442 -5.924 361 HB2 ARG 46 1HB ARG 46 12.590 -0.515 -7.089 362 HB3 ARG 46 2HB ARG 46 12.281 1.045 -7.841 363 HG2 ARG 46 1HG ARG 46 13.007 2.195 -5.845 364 HG3 ARG 46 2HG ARG 46 13.213 0.660 -5.004 365 HD2 ARG 46 1HD ARG 46 14.708 1.385 -7.512 366 HD3 ARG 46 2HD ARG 46 15.317 1.718 -5.891 367 HE ARG 46 HE ARG 46 14.591 -1.040 -6.566 368 HH11 ARG 46 1HH1 ARG 46 17.085 1.356 -5.998 369 HH12 ARG 46 2HH1 ARG 46 18.321 0.178 -5.681 370 HH21 ARG 46 1HH2 ARG 46 16.232 -2.589 -6.161 371 HH22 ARG 46 2HH2 ARG 46 17.838 -2.054 -5.763 372 H GLY 47 H GLY 47 10.619 1.664 -8.608 373 HA2 GLY 47 1HA GLY 47 9.527 0.290 -10.472 374 HA3 GLY 47 2HA GLY 47 8.191 0.145 -9.337 375 H ASP 48 H ASP 48 8.912 2.967 -8.421 376 HA ASP 48 HA ASP 48 8.453 5.138 -8.867 377 HB2 ASP 48 1HB ASP 48 8.561 4.264 -11.763 378 HB3 ASP 48 2HB ASP 48 8.453 5.937 -11.224 379 H ARG 49 H ARG 49 6.693 3.690 -11.572 380 HA ARG 49 HA ARG 49 4.319 5.125 -11.063 381 HB2 ARG 49 1HB ARG 49 4.889 2.672 -12.725 382 HB3 ARG 49 2HB ARG 49 3.322 3.474 -12.699 383 HG2 ARG 49 1HG ARG 49 4.100 5.336 -13.796 384 HG3 ARG 49 2HG ARG 49 5.769 5.066 -13.289 385 HD2 ARG 49 1HD ARG 49 4.276 3.325 -15.244 386 HD3 ARG 49 2HD ARG 49 5.358 4.639 -15.705 387 HE ARG 49 HE ARG 49 6.135 2.096 -14.450 388 HH11 ARG 49 1HH1 ARG 49 7.055 5.161 -15.884 389 HH12 ARG 49 2HH1 ARG 49 8.707 4.692 -16.140 390 HH21 ARG 49 1HH2 ARG 49 8.338 1.490 -14.787 391 HH22 ARG 49 2HH2 ARG 49 9.426 2.631 -15.530 392 H ALA 50 H ALA 50 5.496 2.030 -9.971 393 HA ALA 50 HA ALA 50 3.083 1.007 -8.922 394 HB1 ALA 50 3HB ALA 50 4.493 -0.469 -7.594 395 HB2 ALA 50 1HB ALA 50 5.904 0.523 -7.963 396 HB3 ALA 50 2HB ALA 50 5.090 -0.367 -9.250 397 H HIS 51 H HIS 51 5.581 3.107 -7.597 398 HA HIS 51 HA HIS 51 4.397 3.311 -4.994 399 HB2 HIS 51 1HB HIS 51 6.816 3.672 -5.394 400 HB3 HIS 51 2HB HIS 51 6.435 5.091 -6.360 401 HD1 HIS 51 HD1 HIS 51 6.573 7.233 -5.130 402 HD2 HIS 51 HD2 HIS 51 5.834 4.027 -2.586 403 HE1 HIS 51 HE1 HIS 51 6.616 8.187 -2.806 404 HE2 HIS 51 HE2 HIS 51 6.370 6.196 -1.282 405 H GLU 52 H GLU 52 4.406 5.171 -7.962 406 HA GLU 52 HA GLU 52 2.941 7.411 -7.223 407 HB2 GLU 52 1HB GLU 52 3.976 7.262 -9.381 408 HB3 GLU 52 2HB GLU 52 3.028 5.845 -9.803 409 HG2 GLU 52 1HG GLU 52 0.989 7.271 -9.719 410 HG3 GLU 52 2HG GLU 52 2.044 8.668 -9.491 411 H GLN 53 H GLN 53 1.676 4.407 -8.675 412 HA GLN 53 HA GLN 53 -1.032 5.086 -8.462 413 HB2 GLN 53 1HB GLN 53 -0.194 3.317 -9.937 414 HB3 GLN 53 2HB GLN 53 0.255 2.351 -8.540 415 HG2 GLN 53 1HG GLN 53 -2.028 2.035 -7.933 416 HG3 GLN 53 2HG GLN 53 -2.564 3.196 -9.148 417 HE21 GLN 53 2HE2 GLN 53 -1.272 0.007 -8.607 418 HE22 GLN 53 1HE2 GLN 53 -1.646 -0.630 -10.170 419 H ALA 54 H ALA 54 1.101 3.329 -6.264 420 HA ALA 54 HA ALA 54 -0.776 2.433 -4.421 421 HB1 ALA 54 3HB ALA 54 1.573 1.742 -4.416 422 HB2 ALA 54 1HB ALA 54 1.060 2.310 -2.827 423 HB3 ALA 54 2HB ALA 54 2.042 3.350 -3.861 424 H LEU 55 H LEU 55 1.024 5.510 -4.424 425 HA LEU 55 HA LEU 55 -0.170 6.548 -2.084 426 HB2 LEU 55 1HB LEU 55 1.099 7.939 -4.439 427 HB3 LEU 55 2HB LEU 55 0.584 8.767 -2.983 428 HG LEU 55 HG LEU 55 2.706 6.624 -3.116 429 HD11 LEU 55 1HD1 LEU 55 3.412 8.709 -4.159 430 HD12 LEU 55 2HD1 LEU 55 4.251 8.455 -2.627 431 HD13 LEU 55 3HD1 LEU 55 2.917 9.605 -2.723 432 HD21 LEU 55 3HD2 LEU 55 1.769 8.349 -0.825 433 HD22 LEU 55 1HD2 LEU 55 3.146 7.248 -0.788 434 HD23 LEU 55 2HD2 LEU 55 1.514 6.611 -0.990 435 H ARG 56 H ARG 56 -0.937 6.914 -5.510 436 HA ARG 56 HA ARG 56 -2.942 8.828 -5.336 437 HB2 ARG 56 1HB ARG 56 -1.906 8.049 -7.433 438 HB3 ARG 56 2HB ARG 56 -2.738 6.510 -7.265 439 HG2 ARG 56 1HG ARG 56 -4.890 7.664 -7.450 440 HG3 ARG 56 2HG ARG 56 -4.036 9.197 -7.659 441 HD2 ARG 56 1HD ARG 56 -2.936 8.278 -9.663 442 HD3 ARG 56 2HD ARG 56 -3.856 6.787 -9.464 443 HE ARG 56 HE ARG 56 -5.619 8.990 -9.563 444 HH11 ARG 56 1HH1 ARG 56 -3.516 7.069 -11.608 445 HH12 ARG 56 2HH1 ARG 56 -4.409 7.402 -13.063 446 HH21 ARG 56 1HH2 ARG 56 -6.800 9.433 -11.465 447 HH22 ARG 56 2HH2 ARG 56 -6.290 8.746 -12.983 448 H LEU 57 H LEU 57 -3.204 5.298 -5.198 449 HA LEU 57 HA LEU 57 -6.006 5.147 -5.019 450 HB2 LEU 57 1HB LEU 57 -3.926 3.244 -3.942 451 HB3 LEU 57 2HB LEU 57 -5.622 2.870 -4.180 452 HG LEU 57 HG LEU 57 -3.761 3.650 -6.420 453 HD11 LEU 57 1HD1 LEU 57 -4.626 0.904 -5.532 454 HD12 LEU 57 2HD1 LEU 57 -3.002 1.576 -5.396 455 HD13 LEU 57 3HD1 LEU 57 -3.702 1.277 -6.986 456 HD21 LEU 57 3HD2 LEU 57 -5.530 2.709 -7.832 457 HD22 LEU 57 1HD2 LEU 57 -6.116 4.064 -6.870 458 HD23 LEU 57 2HD2 LEU 57 -6.512 2.410 -6.399 459 H CYS 58 H CYS 58 -3.526 5.052 -2.471 460 HA CYS 58 HA CYS 58 -5.328 4.794 -0.321 461 HB2 CYS 58 1HB CYS 58 -2.543 5.974 -0.300 462 HB3 CYS 58 2HB CYS 58 -3.430 5.379 1.100 463 HG CYS 58 HG CYS 58 -1.936 3.618 -1.386 464 H ARG 59 H ARG 59 -3.974 7.592 -1.960 465 HA ARG 59 HA ARG 59 -4.810 9.564 -0.138 466 HB2 ARG 59 1HB ARG 59 -3.192 9.946 -1.979 467 HB3 ARG 59 2HB ARG 59 -4.510 9.815 -3.136 468 HG2 ARG 59 1HG ARG 59 -5.596 11.745 -1.918 469 HG3 ARG 59 2HG ARG 59 -4.062 11.946 -1.070 470 HD2 ARG 59 1HD ARG 59 -4.454 12.034 -4.058 471 HD3 ARG 59 2HD ARG 59 -4.235 13.431 -3.009 472 HE ARG 59 HE ARG 59 -2.004 12.228 -2.465 473 HH11 ARG 59 1HH1 ARG 59 -3.604 12.269 -5.580 474 HH12 ARG 59 2HH1 ARG 59 -2.117 12.250 -6.487 475 HH21 ARG 59 1HH2 ARG 59 -0.052 12.191 -3.637 476 HH22 ARG 59 2HH2 ARG 59 -0.090 12.192 -5.383 477 H ALA 60 H ALA 60 -6.363 8.347 -3.105 478 HA ALA 60 HA ALA 60 -8.644 9.987 -2.951 479 HB1 ALA 60 3HB ALA 60 -9.660 8.438 -4.548 480 HB2 ALA 60 1HB ALA 60 -8.354 7.289 -4.262 481 HB3 ALA 60 2HB ALA 60 -8.007 8.849 -5.007 482 H SER 61 H SER 61 -7.897 6.876 -1.518 483 HA SER 61 HA SER 61 -10.510 6.138 -0.789 484 HB2 SER 61 1HB SER 61 -8.557 4.598 -0.797 485 HB3 SER 61 2HB SER 61 -7.928 5.432 0.624 486 HG SER 61 HG SER 61 -10.382 4.825 1.234 487 H LEU 62 H LEU 62 -8.165 8.253 0.717 488 HA LEU 62 HA LEU 62 -9.800 8.452 3.126 489 HB2 LEU 62 1HB LEU 62 -7.097 9.636 2.491 490 HB3 LEU 62 2HB LEU 62 -7.908 9.736 4.041 491 HG LEU 62 HG LEU 62 -7.064 7.133 2.767 492 HD11 LEU 62 1HD1 LEU 62 -5.664 8.767 4.878 493 HD12 LEU 62 2HD1 LEU 62 -5.106 8.513 3.225 494 HD13 LEU 62 3HD1 LEU 62 -5.199 7.153 4.342 495 HD21 LEU 62 3HD2 LEU 62 -8.879 6.947 4.394 496 HD22 LEU 62 1HD2 LEU 62 -7.913 7.826 5.579 497 HD23 LEU 62 2HD2 LEU 62 -7.389 6.239 5.017 498 H MET 63 H MET 63 -9.967 9.839 0.227 499 HA MET 63 HA MET 63 -10.601 12.489 1.338 500 HB2 MET 63 1HB MET 63 -9.075 11.881 -1.181 501 HB3 MET 63 2HB MET 63 -9.763 13.458 -0.829 502 HG2 MET 63 1HG MET 63 -8.382 13.587 1.202 503 HG3 MET 63 2HG MET 63 -7.659 12.033 0.785 504 HE1 MET 63 3HE MET 63 -8.098 15.793 -0.286 505 HE2 MET 63 1HE MET 63 -8.694 14.908 -1.690 506 HE3 MET 63 2HE MET 63 -7.196 15.831 -1.801 507 H GLY 64 H GLY 64 -11.120 10.277 -1.418 508 HA2 GLY 64 1HA GLY 64 -13.701 11.550 -1.860 509 HA3 GLY 64 2HA GLY 64 -12.509 11.802 -3.119 510 H ASP 65 H ASP 65 -13.848 9.149 -1.217 511 HA ASP 65 HA ASP 65 -15.235 7.475 -1.841 512 HB2 ASP 65 1HB ASP 65 -16.347 8.967 -3.369 513 HB3 ASP 65 2HB ASP 65 -15.089 8.735 -4.579 514 H VAL 66 H VAL 66 -13.479 6.125 -1.285 515 HA VAL 66 HA VAL 66 -13.100 4.285 -3.534 516 HB VAL 66 HB VAL 66 -10.955 5.076 -1.563 517 HG11 VAL 66 1HG1 VAL 66 -11.091 2.643 -1.482 518 HG12 VAL 66 2HG1 VAL 66 -9.638 3.149 -2.343 519 HG13 VAL 66 3HG1 VAL 66 -11.038 2.568 -3.244 520 HG21 VAL 66 3HG2 VAL 66 -9.583 5.245 -3.574 521 HG22 VAL 66 1HG2 VAL 66 -11.017 6.265 -3.697 522 HG23 VAL 66 2HG2 VAL 66 -10.951 4.726 -4.556 523 H ALA 67 H ALA 67 -13.967 2.382 -3.108 524 HA ALA 67 HA ALA 67 -15.065 1.747 -0.566 525 HB1 ALA 67 3HB ALA 67 -15.659 -0.393 -1.568 526 HB2 ALA 67 1HB ALA 67 -14.613 -0.052 -2.947 527 HB3 ALA 67 2HB ALA 67 -16.046 0.937 -2.660 528 H GLY 68 H GLY 68 -14.344 0.424 1.022 529 HA2 GLY 68 1HA GLY 68 -11.618 0.312 1.528 530 HA3 GLY 68 2HA GLY 68 -12.829 -0.643 2.367 531 H GLU 69 H GLU 69 -13.723 -2.288 0.310 532 HA GLU 69 HA GLU 69 -11.624 -4.220 0.340 533 HB2 GLU 69 1HB GLU 69 -14.071 -4.762 0.435 534 HB3 GLU 69 2HB GLU 69 -14.178 -4.329 -1.267 535 HG2 GLU 69 1HG GLU 69 -12.509 -6.076 -1.776 536 HG3 GLU 69 2HG GLU 69 -12.535 -6.548 -0.077 537 H ILE 70 H ILE 70 -12.876 -1.985 -2.067 538 HA ILE 70 HA ILE 70 -11.485 -3.075 -4.284 539 HB ILE 70 HB ILE 70 -12.519 -0.272 -3.825 540 HG12 ILE 70 1HG1 ILE 70 -13.612 -2.613 -5.404 541 HG13 ILE 70 2HG1 ILE 70 -14.257 -1.997 -3.887 542 HG21 ILE 70 1HG2 ILE 70 -10.714 -0.231 -5.461 543 HG22 ILE 70 2HG2 ILE 70 -12.270 0.050 -6.243 544 HG23 ILE 70 3HG2 ILE 70 -11.493 -1.528 -6.370 545 HD11 ILE 70 3HD1 ILE 70 -14.188 -0.523 -6.508 546 HD12 ILE 70 1HD1 ILE 70 -14.817 0.113 -4.988 547 HD13 ILE 70 2HD1 ILE 70 -15.602 -1.266 -5.760 548 H ALA 71 H ALA 71 -10.728 -0.412 -2.040 549 HA ALA 71 HA ALA 71 -8.232 0.319 -2.970 550 HB1 ALA 71 3HB ALA 71 -7.739 1.052 -0.698 551 HB2 ALA 71 1HB ALA 71 -9.074 0.081 -0.083 552 HB3 ALA 71 2HB ALA 71 -9.398 1.456 -1.136 553 H ARG 72 H ARG 72 -9.095 -2.415 -0.905 554 HA ARG 72 HA ARG 72 -6.542 -3.346 -0.281 555 HB2 ARG 72 1HB ARG 72 -8.363 -4.312 0.868 556 HB3 ARG 72 2HB ARG 72 -9.194 -4.726 -0.623 557 HG2 ARG 72 1HG ARG 72 -7.456 -6.403 -1.099 558 HG3 ARG 72 2HG ARG 72 -6.691 -6.016 0.444 559 HD2 ARG 72 1HD ARG 72 -8.563 -6.798 1.668 560 HD3 ARG 72 2HD ARG 72 -9.558 -6.897 0.217 561 HE ARG 72 HE ARG 72 -8.135 -8.760 -0.494 562 HH11 ARG 72 1HH1 ARG 72 -8.005 -7.836 2.873 563 HH12 ARG 72 2HH1 ARG 72 -7.577 -9.424 3.435 564 HH21 ARG 72 1HH2 ARG 72 -7.559 -10.842 0.216 565 HH22 ARG 72 2HH2 ARG 72 -7.287 -11.132 1.914 566 H THR 73 H THR 73 -8.667 -4.384 -2.955 567 HA THR 73 HA THR 73 -6.834 -6.120 -4.172 568 HB THR 73 HB THR 73 -9.015 -4.554 -5.567 569 HG1 THR 73 HG1 THR 73 -9.549 -7.135 -4.714 570 HG21 THR 73 3HG2 THR 73 -7.779 -7.249 -6.158 571 HG22 THR 73 1HG2 THR 73 -7.517 -5.766 -7.076 572 HG23 THR 73 2HG2 THR 73 -9.113 -6.513 -7.044 573 H ALA 74 H ALA 74 -7.489 -2.685 -4.673 574 HA ALA 74 HA ALA 74 -5.794 -2.343 -6.906 575 HB1 ALA 74 3HB ALA 74 -6.682 -0.295 -4.877 576 HB2 ALA 74 1HB ALA 74 -7.583 -0.774 -6.316 577 HB3 ALA 74 2HB ALA 74 -6.027 0.038 -6.481 578 H PHE 75 H PHE 75 -5.251 -2.074 -3.428 579 HA PHE 75 HA PHE 75 -2.658 -0.967 -3.567 580 HB2 PHE 75 1HB PHE 75 -4.093 -1.023 -1.515 581 HB3 PHE 75 2HB PHE 75 -3.771 -2.748 -1.387 582 HD1 PHE 75 HD2 PHE 75 -2.247 0.602 -1.237 583 HD2 PHE 75 HD1 PHE 75 -1.737 -3.553 -0.472 584 HE1 PHE 75 HE2 PHE 75 -0.206 1.092 0.043 585 HE2 PHE 75 HE1 PHE 75 0.304 -3.068 0.811 586 HZ PHE 75 HZ PHE 75 1.074 -0.745 1.070 587 H VAL 76 H VAL 76 -3.845 -4.293 -3.565 588 HA VAL 76 HA VAL 76 -1.309 -5.549 -3.462 589 HB VAL 76 HB VAL 76 -3.935 -6.550 -4.588 590 HG11 VAL 76 1HG1 VAL 76 -2.958 -8.798 -4.451 591 HG12 VAL 76 2HG1 VAL 76 -1.407 -8.091 -3.998 592 HG13 VAL 76 3HG1 VAL 76 -2.085 -7.778 -5.595 593 HG21 VAL 76 3HG2 VAL 76 -3.976 -6.068 -2.193 594 HG22 VAL 76 1HG2 VAL 76 -2.556 -7.088 -1.957 595 HG23 VAL 76 2HG2 VAL 76 -4.076 -7.802 -2.493 596 H ALA 77 H ALA 77 -3.249 -4.244 -6.076 597 HA ALA 77 HA ALA 77 -1.658 -5.269 -8.200 598 HB1 ALA 77 3HB ALA 77 -3.960 -4.507 -8.542 599 HB2 ALA 77 1HB ALA 77 -2.835 -3.665 -9.606 600 HB3 ALA 77 2HB ALA 77 -3.467 -2.854 -8.172 601 H ALA 78 H ALA 78 -1.387 -2.543 -6.070 602 HA ALA 78 HA ALA 78 0.617 -1.205 -7.666 603 HB1 ALA 78 3HB ALA 78 -0.909 0.090 -6.258 604 HB2 ALA 78 1HB ALA 78 0.772 0.358 -5.799 605 HB3 ALA 78 2HB ALA 78 -0.252 -0.694 -4.823 606 H SER 79 H SER 79 0.520 -3.114 -4.678 607 HA SER 79 HA SER 79 3.369 -3.061 -4.325 608 HB2 SER 79 1HB SER 79 2.838 -4.830 -2.568 609 HB3 SER 79 2HB SER 79 2.081 -3.255 -2.336 610 HG SER 79 HG SER 79 0.154 -4.072 -2.925 611 H ARG 80 H ARG 80 1.433 -4.591 -6.464 612 HA ARG 80 HA ARG 80 2.309 -7.212 -6.677 613 HB2 ARG 80 1HB ARG 80 0.468 -6.047 -7.957 614 HB3 ARG 80 2HB ARG 80 1.713 -5.349 -8.979 615 HG2 ARG 80 1HG ARG 80 2.391 -7.597 -9.673 616 HG3 ARG 80 2HG ARG 80 1.115 -8.281 -8.662 617 HD2 ARG 80 1HD ARG 80 -0.542 -6.955 -9.956 618 HD3 ARG 80 2HD ARG 80 0.763 -6.442 -11.023 619 HE ARG 80 HE ARG 80 0.238 -9.306 -10.697 620 HH11 ARG 80 1HH1 ARG 80 0.179 -6.434 -12.699 621 HH12 ARG 80 2HH1 ARG 80 -0.089 -7.313 -14.178 622 HH21 ARG 80 1HH2 ARG 80 -0.119 -10.460 -12.623 623 HH22 ARG 80 2HH2 ARG 80 -0.274 -9.609 -14.128 624 H GLN 81 H GLN 81 3.901 -4.236 -7.508 625 HA GLN 81 HA GLN 81 5.974 -5.573 -9.047 626 HB2 GLN 81 1HB GLN 81 5.495 -2.670 -8.367 627 HB3 GLN 81 2HB GLN 81 6.867 -3.241 -9.310 628 HG2 GLN 81 1HG GLN 81 3.982 -3.654 -10.061 629 HG3 GLN 81 2HG GLN 81 5.017 -2.371 -10.691 630 HE21 GLN 81 2HE2 GLN 81 3.661 -4.590 -12.074 631 HE22 GLN 81 1HE2 GLN 81 4.916 -5.442 -12.906 632 H ALA 82 H ALA 82 5.402 -5.240 -5.851 633 HA ALA 82 HA ALA 82 8.083 -4.496 -5.025 634 HB1 ALA 82 3HB ALA 82 6.159 -3.797 -3.682 635 HB2 ALA 82 1HB ALA 82 7.266 -4.812 -2.754 636 HB3 ALA 82 2HB ALA 82 5.761 -5.489 -3.377 637 H HIS 83 H HIS 83 6.386 -7.317 -5.876 638 HA HIS 83 HA HIS 83 7.013 -9.486 -6.099 639 HB2 HIS 83 1HB HIS 83 9.697 -8.511 -5.103 640 HB3 HIS 83 2HB HIS 83 9.383 -10.161 -5.628 641 HD1 HIS 83 HD1 HIS 83 9.511 -10.628 -8.095 642 HD2 HIS 83 HD2 HIS 83 9.521 -6.562 -7.222 643 HE1 HIS 83 HE1 HIS 83 10.024 -9.467 -10.268 644 HE2 HIS 83 HE2 HIS 83 9.828 -7.005 -9.751 645 H CYS 84 H CYS 84 6.449 -7.981 -3.340 646 HA CYS 84 HA CYS 84 6.741 -10.427 -1.741 647 HB2 CYS 84 1HB CYS 84 6.919 -7.571 -0.753 648 HB3 CYS 84 2HB CYS 84 6.980 -9.008 0.262 649 HG CYS 84 HG CYS 84 9.408 -9.903 -0.619 650 H LEU 85 H LEU 85 4.645 -10.927 -2.631 651 HA LEU 85 HA LEU 85 2.443 -9.386 -1.431 652 HB2 LEU 85 1HB LEU 85 2.453 -11.335 -3.737 653 HB3 LEU 85 2HB LEU 85 1.001 -10.623 -3.056 654 HG LEU 85 HG LEU 85 3.242 -9.055 -4.330 655 HD11 LEU 85 1HD1 LEU 85 2.064 -10.453 -5.960 656 HD12 LEU 85 2HD1 LEU 85 1.715 -8.742 -6.201 657 HD13 LEU 85 3HD1 LEU 85 0.525 -9.782 -5.419 658 HD21 LEU 85 3HD2 LEU 85 2.014 -7.800 -2.639 659 HD22 LEU 85 1HD2 LEU 85 0.488 -8.228 -3.416 660 HD23 LEU 85 2HD2 LEU 85 1.649 -7.200 -4.258 661 H MET 86 H MET 86 1.268 -10.269 0.132 662 HA MET 86 HA MET 86 1.635 -13.138 0.691 663 HB2 MET 86 1HB MET 86 1.739 -10.863 2.680 664 HB3 MET 86 2HB MET 86 1.639 -12.558 3.130 665 HG2 MET 86 1HG MET 86 3.876 -11.328 1.534 666 HG3 MET 86 2HG MET 86 3.917 -11.633 3.270 667 HE1 MET 86 3HE MET 86 2.383 -14.420 3.480 668 HE2 MET 86 1HE MET 86 3.869 -14.051 4.352 669 HE3 MET 86 2HE MET 86 3.742 -15.540 3.419 670 H GLU 87 H GLU 87 -0.072 -14.160 1.780 671 HA GLU 87 HA GLU 87 -2.693 -13.173 1.286 672 HB2 GLU 87 1HB GLU 87 -1.481 -15.612 2.112 673 HB3 GLU 87 2HB GLU 87 -2.691 -15.195 3.315 674 HG2 GLU 87 1HG GLU 87 -3.174 -15.436 0.354 675 HG3 GLU 87 2HG GLU 87 -3.588 -16.645 1.570 676 H ASP 88 H ASP 88 -4.259 -12.444 2.808 677 HA ASP 88 HA ASP 88 -3.055 -10.999 5.023 678 HB2 ASP 88 1HB ASP 88 -5.124 -9.804 5.207 679 HB3 ASP 88 2HB ASP 88 -4.716 -9.909 3.500 680 H LYS 89 H LYS 89 -4.925 -13.842 4.468 681 HA LYS 89 HA LYS 89 -5.638 -14.098 7.277 682 HB2 LYS 89 1HB LYS 89 -5.971 -16.111 5.045 683 HB3 LYS 89 2HB LYS 89 -6.713 -16.180 6.637 684 HG2 LYS 89 1HG LYS 89 -7.925 -14.074 6.089 685 HG3 LYS 89 2HG LYS 89 -7.278 -14.189 4.452 686 HD2 LYS 89 1HD LYS 89 -9.089 -16.167 5.833 687 HD3 LYS 89 2HD LYS 89 -9.507 -15.106 4.488 688 HE2 LYS 89 1HE LYS 89 -7.457 -17.317 4.405 689 HE3 LYS 89 2HE LYS 89 -9.095 -17.423 3.765 690 HZ1 LYS 89 3HZ LYS 89 -7.001 -15.525 2.832 691 HZ2 LYS 89 1HZ LYS 89 -8.573 -15.666 2.203 692 HZ3 LYS 89 2HZ LYS 89 -7.473 -16.945 2.038 693 H ALA 90 H ALA 90 -2.838 -14.321 5.773 694 HA ALA 90 HA ALA 90 -1.876 -16.892 6.582 695 HB1 ALA 90 3HB ALA 90 0.322 -16.054 5.936 696 HB2 ALA 90 1HB ALA 90 -0.331 -14.420 5.801 697 HB3 ALA 90 2HB ALA 90 -0.880 -15.684 4.698 698 H GLU 91 H GLU 91 -1.991 -13.702 7.984 699 HA GLU 91 HA GLU 91 -0.416 -14.605 10.282 700 HB2 GLU 91 1HB GLU 91 -1.209 -11.866 9.310 701 HB3 GLU 91 2HB GLU 91 -0.515 -12.136 10.902 702 HG2 GLU 91 1HG GLU 91 0.804 -12.869 8.299 703 HG3 GLU 91 2HG GLU 91 1.142 -11.413 9.235 704 H ALA 92 H ALA 92 -1.476 -15.323 11.976 705 HA ALA 92 HA ALA 92 -4.171 -14.255 12.507 706 HB1 ALA 92 3HB ALA 92 -3.120 -17.000 13.186 707 HB2 ALA 92 1HB ALA 92 -4.217 -16.619 11.860 708 HB3 ALA 92 2HB ALA 92 -4.739 -16.390 13.528 709 HA PRO 93 HA PRO 93 -1.844 -12.996 16.188 710 HB2 PRO 93 1HB PRO 93 -3.139 -10.691 16.603 711 HB3 PRO 93 2HB PRO 93 -1.931 -10.852 15.323 712 HG2 PRO 93 1HG PRO 93 -4.910 -10.860 15.134 713 HG3 PRO 93 2HG PRO 93 -3.718 -10.142 14.037 714 HD2 PRO 93 1HD PRO 93 -4.994 -12.580 13.653 715 HD3 PRO 93 2HD PRO 93 -3.492 -12.075 12.858 716 H ASN 94 H ASN 94 -2.748 -12.095 18.365 717 HA ASN 94 HA ASN 94 -4.615 -14.001 19.370 718 HB2 ASN 94 1HB ASN 94 -3.597 -11.496 20.735 719 HB3 ASN 94 2HB ASN 94 -4.313 -12.901 21.518 720 HD21 ASN 94 2HD2 ASN 94 -3.092 -14.779 21.744 721 HD22 ASN 94 1HD2 ASN 94 -1.377 -14.797 21.500 722 H THR 95 H THR 95 -4.726 -10.465 19.045 723 HA THR 95 HA THR 95 -7.648 -10.657 18.754 724 HB THR 95 HB THR 95 -7.822 -8.415 19.856 725 HG1 THR 95 HG1 THR 95 -5.074 -8.740 19.943 726 HG21 THR 95 3HG2 THR 95 -6.631 -10.608 21.558 727 HG22 THR 95 1HG2 THR 95 -8.333 -10.432 21.126 728 HG23 THR 95 2HG2 THR 95 -7.556 -9.232 22.160 729 H ILE 96 H ILE 96 -8.474 -8.489 17.735 730 HA ILE 96 HA ILE 96 -7.157 -8.232 15.221 731 HB ILE 96 HB ILE 96 -9.391 -6.543 16.366 732 HG12 ILE 96 1HG1 ILE 96 -9.502 -8.990 14.584 733 HG13 ILE 96 2HG1 ILE 96 -9.945 -8.950 16.287 734 HG21 ILE 96 1HG2 ILE 96 -9.893 -6.002 14.030 735 HG22 ILE 96 2HG2 ILE 96 -8.486 -6.929 13.514 736 HG23 ILE 96 3HG2 ILE 96 -8.273 -5.471 14.483 737 HD11 ILE 96 3HD1 ILE 96 -11.757 -7.394 15.770 738 HD12 ILE 96 1HD1 ILE 96 -11.908 -8.904 14.872 739 HD13 ILE 96 2HD1 ILE 96 -11.314 -7.453 14.065 740 H ALA 97 H ALA 97 -7.317 -6.303 18.146 741 HA ALA 97 HA ALA 97 -5.984 -4.029 16.987 742 HB1 ALA 97 3HB ALA 97 -6.083 -3.085 19.222 743 HB2 ALA 97 1HB ALA 97 -6.588 -4.644 19.875 744 HB3 ALA 97 2HB ALA 97 -7.645 -3.767 18.768 745 H SER 98 H SER 98 -4.735 -6.898 17.451 746 HA SER 98 HA SER 98 -2.192 -5.853 18.507 747 HB2 SER 98 1HB SER 98 -1.740 -8.183 19.331 748 HB3 SER 98 2HB SER 98 -3.071 -7.373 20.155 749 HG SER 98 HG SER 98 -3.805 -8.820 17.918 750 H GLY 99 H GLY 99 -0.356 -6.321 17.369 751 HA2 GLY 99 1HA GLY 99 0.419 -8.307 15.809 752 HA3 GLY 99 2HA GLY 99 -0.760 -7.556 14.744 753 H SER 100 H SER 100 -0.433 -5.046 14.664 754 HA SER 100 HA SER 100 2.448 -4.529 14.352 755 HB2 SER 100 1HB SER 100 0.203 -3.588 12.548 756 HB3 SER 100 2HB SER 100 1.908 -3.166 12.370 757 HG SER 100 HG SER 100 1.577 -5.846 12.545 Start of MODEL 7 1 H1 MET 1 1H MET 1 -12.967 17.592 17.183 2 H2 MET 1 2H MET 1 -14.191 18.147 16.150 3 H3 MET 1 3H MET 1 -13.250 16.808 15.709 4 HA MET 1 HA MET 1 -14.121 15.552 17.575 5 HB2 MET 1 1HB MET 1 -15.964 16.396 18.889 6 HB3 MET 1 2HB MET 1 -14.622 17.527 18.995 7 HG2 MET 1 1HG MET 1 -15.700 19.014 17.430 8 HG3 MET 1 2HG MET 1 -17.007 17.856 17.188 9 HE1 MET 1 3HE MET 1 -17.429 16.786 20.166 10 HE2 MET 1 1HE MET 1 -18.758 17.190 19.079 11 HE3 MET 1 2HE MET 1 -18.723 17.849 20.714 12 H GLU 2 H GLU 2 -14.540 16.359 14.635 13 HA GLU 2 HA GLU 2 -17.239 15.806 13.980 14 HB2 GLU 2 1HB GLU 2 -14.739 15.250 12.368 15 HB3 GLU 2 2HB GLU 2 -16.377 15.329 11.736 16 HG2 GLU 2 1HG GLU 2 -16.513 17.654 12.118 17 HG3 GLU 2 2HG GLU 2 -15.041 17.648 13.092 18 H VAL 3 H VAL 3 -17.993 13.789 12.908 19 HA VAL 3 HA VAL 3 -17.537 11.493 14.475 20 HB VAL 3 HB VAL 3 -18.672 11.573 11.669 21 HG11 VAL 3 1HG1 VAL 3 -19.876 9.549 12.351 22 HG12 VAL 3 2HG1 VAL 3 -19.052 9.586 13.908 23 HG13 VAL 3 3HG1 VAL 3 -18.128 9.323 12.428 24 HG21 VAL 3 3HG2 VAL 3 -19.846 13.158 13.091 25 HG22 VAL 3 1HG2 VAL 3 -20.084 11.911 14.315 26 HG23 VAL 3 2HG2 VAL 3 -20.870 11.766 12.742 27 H GLN 4 H GLN 4 -16.149 12.673 11.502 28 HA GLN 4 HA GLN 4 -14.725 10.377 10.712 29 HB2 GLN 4 1HB GLN 4 -15.151 12.350 9.284 30 HB3 GLN 4 2HB GLN 4 -14.043 13.290 10.271 31 HG2 GLN 4 1HG GLN 4 -12.188 11.929 9.567 32 HG3 GLN 4 2HG GLN 4 -13.271 10.853 8.682 33 HE21 GLN 4 2HE2 GLN 4 -11.005 12.461 7.728 34 HE22 GLN 4 1HE2 GLN 4 -11.656 13.474 6.481 35 H SER 5 H SER 5 -14.081 12.789 13.149 36 HA SER 5 HA SER 5 -11.325 11.857 13.448 37 HB2 SER 5 1HB SER 5 -11.084 13.768 15.016 38 HB3 SER 5 2HB SER 5 -11.621 14.272 13.415 39 HG SER 5 HG SER 5 -13.772 13.735 14.901 40 H MET 6 H MET 6 -14.016 10.546 14.344 41 HA MET 6 HA MET 6 -13.386 10.201 17.184 42 HB2 MET 6 1HB MET 6 -15.724 9.230 15.528 43 HB3 MET 6 2HB MET 6 -15.503 8.864 17.233 44 HG2 MET 6 1HG MET 6 -15.613 11.241 17.764 45 HG3 MET 6 2HG MET 6 -15.820 11.617 16.055 46 HE1 MET 6 3HE MET 6 -17.987 13.005 16.492 47 HE2 MET 6 1HE MET 6 -17.796 12.730 18.223 48 HE3 MET 6 2HE MET 6 -19.354 12.433 17.450 49 H LEU 7 H LEU 7 -12.214 9.023 14.476 50 HA LEU 7 HA LEU 7 -11.927 6.282 15.511 51 HB2 LEU 7 1HB LEU 7 -11.803 7.243 12.648 52 HB3 LEU 7 2HB LEU 7 -11.515 5.596 13.173 53 HG LEU 7 HG LEU 7 -14.139 7.068 13.446 54 HD11 LEU 7 1HD1 LEU 7 -14.916 5.563 11.684 55 HD12 LEU 7 2HD1 LEU 7 -13.291 4.899 11.530 56 HD13 LEU 7 3HD1 LEU 7 -13.597 6.585 11.120 57 HD21 LEU 7 3HD2 LEU 7 -15.040 4.887 14.065 58 HD22 LEU 7 1HD2 LEU 7 -13.785 5.396 15.196 59 HD23 LEU 7 2HD2 LEU 7 -13.425 4.184 13.967 60 H LEU 8 H LEU 8 -9.823 5.291 14.413 61 HA LEU 8 HA LEU 8 -7.638 7.130 15.066 62 HB2 LEU 8 1HB LEU 8 -7.616 4.144 14.598 63 HB3 LEU 8 2HB LEU 8 -6.231 5.104 15.085 64 HG LEU 8 HG LEU 8 -8.737 4.701 16.724 65 HD11 LEU 8 1HD1 LEU 8 -5.968 3.552 17.039 66 HD12 LEU 8 2HD1 LEU 8 -7.414 2.667 16.555 67 HD13 LEU 8 3HD1 LEU 8 -7.302 3.354 18.176 68 HD21 LEU 8 3HD2 LEU 8 -6.140 6.084 17.389 69 HD22 LEU 8 1HD2 LEU 8 -7.463 5.781 18.514 70 HD23 LEU 8 2HD2 LEU 8 -7.702 6.864 17.143 71 H ASN 9 H ASN 9 -9.322 5.915 12.476 72 HA ASN 9 HA ASN 9 -7.295 6.863 10.583 73 HB2 ASN 9 1HB ASN 9 -8.835 4.263 10.429 74 HB3 ASN 9 2HB ASN 9 -8.134 5.021 9.006 75 HD21 ASN 9 2HD2 ASN 9 -7.481 3.365 11.990 76 HD22 ASN 9 1HD2 ASN 9 -5.824 3.004 11.654 77 H ASP 10 H ASP 10 -8.161 8.173 9.015 78 HA ASP 10 HA ASP 10 -10.735 9.197 9.155 79 HB2 ASP 10 1HB ASP 10 -8.883 9.012 6.769 80 HB3 ASP 10 2HB ASP 10 -10.371 9.951 6.782 81 H VAL 11 H VAL 11 -9.469 6.624 7.120 82 HA VAL 11 HA VAL 11 -12.221 5.662 6.744 83 HB VAL 11 HB VAL 11 -9.958 5.440 4.745 84 HG11 VAL 11 1HG1 VAL 11 -12.823 4.512 4.570 85 HG12 VAL 11 2HG1 VAL 11 -11.400 3.480 4.699 86 HG13 VAL 11 3HG1 VAL 11 -11.649 4.465 3.256 87 HG21 VAL 11 3HG2 VAL 11 -10.858 7.697 4.836 88 HG22 VAL 11 1HG2 VAL 11 -12.498 7.069 4.663 89 HG23 VAL 11 2HG2 VAL 11 -11.345 6.901 3.339 90 H LYS 12 H LYS 12 -12.435 3.962 7.981 91 HA LYS 12 HA LYS 12 -10.240 2.284 8.765 92 HB2 LYS 12 1HB LYS 12 -12.020 2.792 10.343 93 HB3 LYS 12 2HB LYS 12 -13.220 2.108 9.259 94 HG2 LYS 12 1HG LYS 12 -12.320 -0.103 9.586 95 HG3 LYS 12 2HG LYS 12 -10.998 0.548 10.561 96 HD2 LYS 12 1HD LYS 12 -12.527 1.271 12.262 97 HD3 LYS 12 2HD LYS 12 -13.915 0.860 11.258 98 HE2 LYS 12 1HE LYS 12 -11.899 -1.116 12.321 99 HE3 LYS 12 2HE LYS 12 -13.475 -0.795 13.041 100 HZ1 LYS 12 3HZ LYS 12 -13.891 -2.626 11.743 101 HZ2 LYS 12 1HZ LYS 12 -12.836 -2.142 10.501 102 HZ3 LYS 12 2HZ LYS 12 -14.338 -1.372 10.695 103 H TRP 13 H TRP 13 -9.520 0.585 7.668 104 HA TRP 13 HA TRP 13 -10.924 -0.274 5.293 105 HB2 TRP 13 1HB TRP 13 -8.216 -0.240 6.160 106 HB3 TRP 13 2HB TRP 13 -8.649 -1.919 5.857 107 HD1 TRP 13 HD1 TRP 13 -10.708 -1.073 3.395 108 HE1 TRP 13 HE1 TRP 13 -9.638 -0.533 1.119 109 HE3 TRP 13 HE3 TRP 13 -5.944 -0.085 4.962 110 HZ2 TRP 13 HZ2 TRP 13 -7.100 0.206 0.123 111 HZ3 TRP 13 HZ3 TRP 13 -4.255 0.528 3.284 112 HH2 TRP 13 HH2 TRP 13 -4.823 0.670 0.913 113 H GLU 14 H GLU 14 -12.272 -1.952 5.201 114 HA GLU 14 HA GLU 14 -12.628 -3.574 7.575 115 HB2 GLU 14 1HB GLU 14 -14.110 -3.568 4.945 116 HB3 GLU 14 2HB GLU 14 -14.530 -4.577 6.323 117 HG2 GLU 14 1HG GLU 14 -14.730 -2.418 7.643 118 HG3 GLU 14 2HG GLU 14 -14.683 -1.593 6.085 119 H LYS 15 H LYS 15 -11.043 -3.796 4.563 120 HA LYS 15 HA LYS 15 -10.619 -6.673 4.910 121 HB2 LYS 15 1HB LYS 15 -9.952 -4.811 2.623 122 HB3 LYS 15 2HB LYS 15 -9.443 -6.492 2.687 123 HG2 LYS 15 1HG LYS 15 -11.757 -7.219 2.697 124 HG3 LYS 15 2HG LYS 15 -12.300 -5.540 2.701 125 HD2 LYS 15 1HD LYS 15 -12.423 -6.443 0.459 126 HD3 LYS 15 2HD LYS 15 -11.184 -5.192 0.538 127 HE2 LYS 15 1HE LYS 15 -10.340 -7.024 -0.755 128 HE3 LYS 15 2HE LYS 15 -9.475 -6.976 0.779 129 HZ1 LYS 15 3HZ LYS 15 -10.116 -9.232 0.115 130 HZ2 LYS 15 1HZ LYS 15 -11.755 -8.783 0.169 131 HZ3 LYS 15 2HZ LYS 15 -10.830 -8.783 1.591 132 HA PRO 16 HA PRO 16 -6.919 -5.480 7.177 133 HB2 PRO 16 1HB PRO 16 -6.433 -8.394 6.815 134 HB3 PRO 16 2HB PRO 16 -6.365 -7.415 8.285 135 HG2 PRO 16 1HG PRO 16 -8.418 -9.048 7.844 136 HG3 PRO 16 2HG PRO 16 -8.669 -7.450 8.573 137 HD2 PRO 16 1HD PRO 16 -9.187 -8.364 5.773 138 HD3 PRO 16 2HD PRO 16 -10.128 -7.253 6.791 139 H VAL 17 H VAL 17 -4.775 -5.222 6.642 140 HA VAL 17 HA VAL 17 -4.012 -6.122 3.946 141 HB VAL 17 HB VAL 17 -2.942 -3.622 5.241 142 HG11 VAL 17 1HG1 VAL 17 -2.358 -3.027 2.940 143 HG12 VAL 17 2HG1 VAL 17 -3.037 -4.553 2.376 144 HG13 VAL 17 3HG1 VAL 17 -1.622 -4.553 3.429 145 HG21 VAL 17 3HG2 VAL 17 -5.305 -3.819 3.380 146 HG22 VAL 17 1HG2 VAL 17 -4.520 -2.323 3.887 147 HG23 VAL 17 2HG2 VAL 17 -5.346 -3.332 5.074 148 H THR 18 H THR 18 -3.007 -7.994 4.827 149 HA THR 18 HA THR 18 -0.772 -7.696 6.619 150 HB THR 18 HB THR 18 -1.420 -10.061 4.842 151 HG1 THR 18 HG1 THR 18 -3.198 -9.628 6.198 152 HG21 THR 18 3HG2 THR 18 0.840 -10.094 5.772 153 HG22 THR 18 1HG2 THR 18 -0.162 -11.339 6.520 154 HG23 THR 18 2HG2 THR 18 0.187 -9.846 7.393 155 H ILE 19 H ILE 19 0.691 -6.304 5.767 156 HA ILE 19 HA ILE 19 1.633 -6.785 3.031 157 HB ILE 19 HB ILE 19 0.875 -4.512 3.473 158 HG12 ILE 19 1HG1 ILE 19 3.878 -4.663 3.167 159 HG13 ILE 19 2HG1 ILE 19 2.699 -4.834 1.870 160 HG21 ILE 19 1HG2 ILE 19 2.990 -4.466 5.613 161 HG22 ILE 19 2HG2 ILE 19 1.246 -4.306 5.831 162 HG23 ILE 19 3HG2 ILE 19 2.155 -3.038 5.001 163 HD11 ILE 19 3HD1 ILE 19 3.187 -2.373 3.528 164 HD12 ILE 19 1HD1 ILE 19 1.952 -2.534 2.278 165 HD13 ILE 19 2HD1 ILE 19 3.658 -2.625 1.846 166 H SER 20 H SER 20 3.409 -7.912 2.788 167 HA SER 20 HA SER 20 5.294 -8.135 5.005 168 HB2 SER 20 1HB SER 20 6.246 -9.991 3.508 169 HB3 SER 20 2HB SER 20 4.650 -10.267 4.207 170 HG SER 20 HG SER 20 5.067 -9.190 1.609 171 H LEU 21 H LEU 21 7.098 -6.986 4.995 172 HA LEU 21 HA LEU 21 8.001 -5.757 2.506 173 HB2 LEU 21 1HB LEU 21 8.724 -5.320 5.392 174 HB3 LEU 21 2HB LEU 21 9.690 -4.653 4.094 175 HG LEU 21 HG LEU 21 7.573 -3.499 3.287 176 HD11 LEU 21 1HD1 LEU 21 6.628 -4.256 6.049 177 HD12 LEU 21 2HD1 LEU 21 5.955 -4.839 4.526 178 HD13 LEU 21 3HD1 LEU 21 5.826 -3.132 4.951 179 HD21 LEU 21 3HD2 LEU 21 9.400 -2.350 4.424 180 HD22 LEU 21 1HD2 LEU 21 8.689 -2.753 5.985 181 HD23 LEU 21 2HD2 LEU 21 7.836 -1.676 4.878 182 H GLN 22 H GLN 22 10.162 -5.925 1.786 183 HA GLN 22 HA GLN 22 11.298 -8.481 1.825 184 HB2 GLN 22 1HB GLN 22 11.666 -6.833 0.031 185 HB3 GLN 22 2HB GLN 22 12.595 -5.833 1.137 186 HG2 GLN 22 1HG GLN 22 14.282 -7.570 1.321 187 HG3 GLN 22 2HG GLN 22 13.337 -8.615 0.260 188 HE21 GLN 22 2HE2 GLN 22 13.248 -8.166 -1.932 189 HE22 GLN 22 1HE2 GLN 22 14.345 -7.075 -2.697 190 H ASN 23 H ASN 23 11.525 -5.894 4.028 191 HA ASN 23 HA ASN 23 14.033 -6.481 5.215 192 HB2 ASN 23 1HB ASN 23 11.627 -5.064 6.385 193 HB3 ASN 23 2HB ASN 23 13.250 -5.049 7.064 194 HD21 ASN 23 2HD2 ASN 23 11.622 -2.828 6.188 195 HD22 ASN 23 1HD2 ASN 23 12.533 -2.003 4.966 196 H GLY 24 H GLY 24 10.973 -7.998 5.384 197 HA2 GLY 24 1HA GLY 24 10.590 -10.079 6.427 198 HA3 GLY 24 2HA GLY 24 11.955 -9.773 7.493 199 H ALA 25 H ALA 25 8.739 -8.453 6.734 200 HA ALA 25 HA ALA 25 7.910 -8.510 9.460 201 HB1 ALA 25 3HB ALA 25 9.413 -6.574 9.584 202 HB2 ALA 25 1HB ALA 25 7.731 -6.114 9.856 203 HB3 ALA 25 2HB ALA 25 8.496 -5.786 8.300 204 HA PRO 26 HA PRO 26 4.219 -8.163 6.864 205 HB2 PRO 26 1HB PRO 26 2.898 -10.064 8.466 206 HB3 PRO 26 2HB PRO 26 3.696 -10.365 6.923 207 HG2 PRO 26 1HG PRO 26 4.491 -11.355 9.429 208 HG3 PRO 26 2HG PRO 26 5.441 -11.393 7.935 209 HD2 PRO 26 1HD PRO 26 5.592 -9.501 10.236 210 HD3 PRO 26 2HD PRO 26 6.886 -10.096 9.172 211 H ARG 27 H ARG 27 3.399 -6.201 7.439 212 HA ARG 27 HA ARG 27 2.313 -5.828 10.130 213 HB2 ARG 27 1HB ARG 27 2.836 -3.967 7.832 214 HB3 ARG 27 2HB ARG 27 1.754 -3.494 9.133 215 HG2 ARG 27 1HG ARG 27 3.642 -3.978 10.723 216 HG3 ARG 27 2HG ARG 27 4.683 -4.126 9.304 217 HD2 ARG 27 1HD ARG 27 4.755 -1.873 10.311 218 HD3 ARG 27 2HD ARG 27 4.178 -1.861 8.646 219 HE ARG 27 HE ARG 27 1.931 -1.551 9.514 220 HH11 ARG 27 1HH1 ARG 27 4.524 -1.109 11.818 221 HH12 ARG 27 2HH1 ARG 27 3.609 -0.037 12.836 222 HH21 ARG 27 1HH2 ARG 27 0.703 -0.121 10.876 223 HH22 ARG 27 2HH2 ARG 27 1.463 0.518 12.306 224 H ILE 28 H ILE 28 0.154 -4.969 10.411 225 HA ILE 28 HA ILE 28 -1.694 -5.651 8.214 226 HB ILE 28 HB ILE 28 -2.269 -6.015 11.165 227 HG12 ILE 28 1HG1 ILE 28 -1.821 -8.114 9.028 228 HG13 ILE 28 2HG1 ILE 28 -0.674 -7.699 10.297 229 HG21 ILE 28 1HG2 ILE 28 -3.900 -6.700 8.719 230 HG22 ILE 28 2HG2 ILE 28 -4.237 -5.410 9.873 231 HG23 ILE 28 3HG2 ILE 28 -4.333 -7.094 10.383 232 HD11 ILE 28 3HD1 ILE 28 -3.420 -8.859 10.710 233 HD12 ILE 28 1HD1 ILE 28 -2.271 -8.445 11.983 234 HD13 ILE 28 2HD1 ILE 28 -1.890 -9.728 10.833 235 H PHE 29 H PHE 29 -2.306 -3.705 7.468 236 HA PHE 29 HA PHE 29 -2.447 -1.386 9.133 237 HB2 PHE 29 1HB PHE 29 -3.437 -1.827 6.309 238 HB3 PHE 29 2HB PHE 29 -3.385 -0.267 7.124 239 HD1 PHE 29 HD1 PHE 29 -0.830 -0.157 8.392 240 HD2 PHE 29 HD2 PHE 29 -1.876 -1.871 4.642 241 HE1 PHE 29 HE1 PHE 29 1.471 0.191 7.596 242 HE2 PHE 29 HE2 PHE 29 0.424 -1.535 3.842 243 HZ PHE 29 HZ PHE 29 2.102 -0.501 5.318 244 H ASN 30 H ASN 30 -4.135 -0.454 10.106 245 HA ASN 30 HA ASN 30 -6.617 -1.986 10.250 246 HB2 ASN 30 1HB ASN 30 -5.748 0.481 11.777 247 HB3 ASN 30 2HB ASN 30 -7.173 -0.491 12.120 248 HD21 ASN 30 2HD2 ASN 30 -3.695 -0.344 12.237 249 HD22 ASN 30 1HD2 ASN 30 -3.485 -1.672 13.334 250 H GLY 31 H GLY 31 -5.351 0.691 8.614 251 HA2 GLY 31 1HA GLY 31 -7.880 1.271 7.395 252 HA3 GLY 31 2HA GLY 31 -7.323 2.557 8.457 253 H VAL 32 H VAL 32 -7.687 3.235 5.946 254 HA VAL 32 HA VAL 32 -5.520 2.776 4.180 255 HB VAL 32 HB VAL 32 -7.403 5.138 4.175 256 HG11 VAL 32 1HG1 VAL 32 -6.954 5.216 1.795 257 HG12 VAL 32 2HG1 VAL 32 -5.885 3.822 1.930 258 HG13 VAL 32 3HG1 VAL 32 -5.450 5.347 2.703 259 HG21 VAL 32 3HG2 VAL 32 -8.814 3.823 2.669 260 HG22 VAL 32 1HG2 VAL 32 -8.679 3.064 4.256 261 HG23 VAL 32 2HG2 VAL 32 -7.754 2.432 2.894 262 H TYR 33 H TYR 33 -6.039 4.993 6.783 263 HA TYR 33 HA TYR 33 -4.325 7.079 6.048 264 HB2 TYR 33 1HB TYR 33 -5.990 7.170 7.887 265 HB3 TYR 33 2HB TYR 33 -4.970 6.096 8.835 266 HD1 TYR 33 HD1 TYR 33 -5.123 9.450 7.276 267 HD2 TYR 33 HD2 TYR 33 -3.179 6.944 10.109 268 HE1 TYR 33 HE1 TYR 33 -3.950 11.408 8.194 269 HE2 TYR 33 HE2 TYR 33 -1.996 8.887 11.031 270 HH TYR 33 HH TYR 33 -2.876 12.098 10.278 271 H GLU 34 H GLU 34 -3.700 4.131 7.936 272 HA GLU 34 HA GLU 34 -0.994 4.580 8.490 273 HB2 GLU 34 1HB GLU 34 -2.529 2.019 8.059 274 HB3 GLU 34 2HB GLU 34 -0.838 2.042 8.530 275 HG2 GLU 34 1HG GLU 34 -1.468 3.304 10.560 276 HG3 GLU 34 2HG GLU 34 -3.162 3.131 10.094 277 H ALA 35 H ALA 35 -2.544 2.936 5.764 278 HA ALA 35 HA ALA 35 -0.220 2.010 4.508 279 HB1 ALA 35 3HB ALA 35 -2.867 2.691 3.229 280 HB2 ALA 35 1HB ALA 35 -2.476 1.167 4.024 281 HB3 ALA 35 2HB ALA 35 -1.620 1.642 2.556 282 H PHE 36 H PHE 36 -2.094 4.980 3.956 283 HA PHE 36 HA PHE 36 -0.652 5.914 1.746 284 HB2 PHE 36 1HB PHE 36 -2.823 6.839 2.417 285 HB3 PHE 36 2HB PHE 36 -2.096 7.512 3.871 286 HD1 PHE 36 HD1 PHE 36 -1.609 7.576 0.171 287 HD2 PHE 36 HD2 PHE 36 -1.505 9.727 3.841 288 HE1 PHE 36 HE1 PHE 36 -1.093 9.643 -1.059 289 HE2 PHE 36 HE2 PHE 36 -0.987 11.797 2.617 290 HZ PHE 36 HZ PHE 36 -0.784 11.757 0.163 291 H ASP 37 H ASP 37 -0.200 6.534 5.205 292 HA ASP 37 HA ASP 37 2.020 8.280 4.855 293 HB2 ASP 37 1HB ASP 37 0.709 8.374 6.895 294 HB3 ASP 37 2HB ASP 37 1.101 6.698 7.265 295 H PHE 38 H PHE 38 1.703 4.832 5.552 296 HA PHE 38 HA PHE 38 4.380 4.253 6.080 297 HB2 PHE 38 1HB PHE 38 2.445 2.731 6.478 298 HB3 PHE 38 2HB PHE 38 2.368 2.431 4.747 299 HD1 PHE 38 HD1 PHE 38 4.554 2.105 7.715 300 HD2 PHE 38 HD2 PHE 38 3.702 0.783 3.761 301 HE1 PHE 38 HE1 PHE 38 6.175 0.273 7.983 302 HE2 PHE 38 HE2 PHE 38 5.321 -1.048 4.020 303 HZ PHE 38 HZ PHE 38 6.556 -1.305 6.132 304 H LEU 39 H LEU 39 2.624 4.283 3.003 305 HA LEU 39 HA LEU 39 4.678 3.276 1.377 306 HB2 LEU 39 1HB LEU 39 2.477 5.224 0.702 307 HB3 LEU 39 2HB LEU 39 3.490 4.418 -0.480 308 HG LEU 39 HG LEU 39 1.625 3.006 1.429 309 HD11 LEU 39 1HD1 LEU 39 0.226 2.643 -0.553 310 HD12 LEU 39 2HD1 LEU 39 1.307 3.665 -1.495 311 HD13 LEU 39 3HD1 LEU 39 0.382 4.354 -0.160 312 HD21 LEU 39 3HD2 LEU 39 3.173 1.999 -0.960 313 HD22 LEU 39 1HD2 LEU 39 2.035 1.061 0.008 314 HD23 LEU 39 2HD2 LEU 39 3.534 1.644 0.730 315 H GLN 40 H GLN 40 4.039 6.520 2.566 316 HA GLN 40 HA GLN 40 5.967 7.772 0.847 317 HB2 GLN 40 1HB GLN 40 4.650 8.808 3.362 318 HB3 GLN 40 2HB GLN 40 5.587 9.772 2.230 319 HG2 GLN 40 1HG GLN 40 3.927 9.220 0.472 320 HG3 GLN 40 2HG GLN 40 2.964 8.402 1.700 321 HE21 GLN 40 2HE2 GLN 40 2.293 10.708 0.056 322 HE22 GLN 40 1HE2 GLN 40 1.906 11.984 1.163 323 H HIS 41 H HIS 41 5.990 6.296 3.983 324 HA HIS 41 HA HIS 41 8.407 7.466 4.917 325 HB2 HIS 41 1HB HIS 41 6.820 5.053 5.730 326 HB3 HIS 41 2HB HIS 41 8.406 5.356 6.430 327 HD1 HIS 41 HD1 HIS 41 7.640 5.918 8.764 328 HD2 HIS 41 HD2 HIS 41 5.788 8.224 5.845 329 HE1 HIS 41 HE1 HIS 41 6.382 7.710 10.008 330 HE2 HIS 41 HE2 HIS 41 5.054 8.893 8.227 331 H GLU 42 H GLU 42 7.892 4.043 4.028 332 HA GLU 42 HA GLU 42 10.090 4.076 2.226 333 HB2 GLU 42 1HB GLU 42 11.462 2.381 3.520 334 HB3 GLU 42 2HB GLU 42 11.525 4.041 4.081 335 HG2 GLU 42 1HG GLU 42 9.799 3.413 5.798 336 HG3 GLU 42 2HG GLU 42 10.052 1.734 5.315 337 H TRP 43 H TRP 43 8.298 3.340 1.022 338 HA TRP 43 HA TRP 43 7.578 0.543 1.388 339 HB2 TRP 43 1HB TRP 43 5.746 1.921 0.743 340 HB3 TRP 43 2HB TRP 43 6.682 2.701 -0.524 341 HD1 TRP 43 HD1 TRP 43 5.967 1.965 -2.825 342 HE1 TRP 43 HE1 TRP 43 5.019 -0.170 -3.896 343 HE3 TRP 43 HE3 TRP 43 5.811 -1.035 1.325 344 HZ2 TRP 43 HZ2 TRP 43 4.311 -2.766 -3.101 345 HZ3 TRP 43 HZ3 TRP 43 4.991 -3.331 1.063 346 HH2 TRP 43 HH2 TRP 43 4.252 -4.173 -1.098 347 HA PRO 44 HA PRO 44 11.290 -0.871 -0.591 348 HB2 PRO 44 1HB PRO 44 9.322 -2.973 -1.417 349 HB3 PRO 44 2HB PRO 44 10.972 -3.159 -0.809 350 HG2 PRO 44 1HG PRO 44 8.876 -3.514 0.800 351 HG3 PRO 44 2HG PRO 44 10.356 -2.732 1.382 352 HD2 PRO 44 1HD PRO 44 7.706 -1.556 0.802 353 HD3 PRO 44 2HD PRO 44 8.983 -0.983 1.889 354 H ALA 45 H ALA 45 8.269 -1.139 -2.499 355 HA ALA 45 HA ALA 45 9.737 -0.998 -4.976 356 HB1 ALA 45 3HB ALA 45 7.547 -1.076 -6.051 357 HB2 ALA 45 1HB ALA 45 6.763 -0.880 -4.484 358 HB3 ALA 45 2HB ALA 45 7.695 -2.338 -4.827 359 H ARG 46 H ARG 46 10.680 0.891 -5.415 360 HA ARG 46 HA ARG 46 9.105 3.363 -5.035 361 HB2 ARG 46 1HB ARG 46 11.247 4.519 -4.590 362 HB3 ARG 46 2HB ARG 46 10.916 3.262 -3.403 363 HG2 ARG 46 1HG ARG 46 12.507 1.805 -4.356 364 HG3 ARG 46 2HG ARG 46 12.656 2.798 -5.803 365 HD2 ARG 46 1HD ARG 46 13.685 4.575 -4.489 366 HD3 ARG 46 2HD ARG 46 13.508 3.606 -3.025 367 HE ARG 46 HE ARG 46 15.154 2.110 -3.844 368 HH11 ARG 46 1HH1 ARG 46 14.702 4.932 -5.876 369 HH12 ARG 46 2HH1 ARG 46 16.214 4.731 -6.706 370 HH21 ARG 46 1HH2 ARG 46 17.147 1.845 -4.931 371 HH22 ARG 46 2HH2 ARG 46 17.600 2.965 -6.185 372 H GLY 47 H GLY 47 9.381 5.011 -6.609 373 HA2 GLY 47 1HA GLY 47 11.063 5.811 -8.279 374 HA3 GLY 47 2HA GLY 47 11.001 4.186 -8.939 375 H ASP 48 H ASP 48 8.498 3.555 -9.318 376 HA ASP 48 HA ASP 48 7.934 5.492 -11.439 377 HB2 ASP 48 1HB ASP 48 8.733 3.072 -11.898 378 HB3 ASP 48 2HB ASP 48 7.085 2.609 -11.488 379 H ARG 49 H ARG 49 5.542 4.414 -12.316 380 HA ARG 49 HA ARG 49 3.775 6.010 -10.786 381 HB2 ARG 49 1HB ARG 49 3.248 4.074 -13.044 382 HB3 ARG 49 2HB ARG 49 2.093 5.252 -12.432 383 HG2 ARG 49 1HG ARG 49 3.214 7.033 -13.347 384 HG3 ARG 49 2HG ARG 49 4.764 6.189 -13.362 385 HD2 ARG 49 1HD ARG 49 2.417 5.527 -15.135 386 HD3 ARG 49 2HD ARG 49 3.803 6.505 -15.620 387 HE ARG 49 HE ARG 49 4.603 3.957 -14.597 388 HH11 ARG 49 1HH1 ARG 49 3.417 5.624 -17.440 389 HH12 ARG 49 2HH1 ARG 49 4.024 4.424 -18.549 390 HH21 ARG 49 1HH2 ARG 49 5.394 2.372 -16.046 391 HH22 ARG 49 2HH2 ARG 49 5.148 2.579 -17.759 392 H ALA 50 H ALA 50 4.672 2.723 -10.532 393 HA ALA 50 HA ALA 50 2.273 1.658 -9.477 394 HB1 ALA 50 3HB ALA 50 3.665 -0.135 -8.590 395 HB2 ALA 50 1HB ALA 50 5.114 0.814 -8.921 396 HB3 ALA 50 2HB ALA 50 4.111 0.243 -10.254 397 H HIS 51 H HIS 51 5.113 3.141 -7.967 398 HA HIS 51 HA HIS 51 4.119 2.974 -5.303 399 HB2 HIS 51 1HB HIS 51 6.538 3.264 -5.943 400 HB3 HIS 51 2HB HIS 51 6.162 4.914 -6.416 401 HD1 HIS 51 HD1 HIS 51 7.403 3.009 -3.662 402 HD2 HIS 51 HD2 HIS 51 5.093 6.444 -4.048 403 HE1 HIS 51 HE1 HIS 51 7.587 4.199 -1.457 404 HE2 HIS 51 HE2 HIS 51 6.341 6.360 -1.784 405 H GLU 52 H GLU 52 4.084 5.412 -7.834 406 HA GLU 52 HA GLU 52 2.941 7.516 -6.355 407 HB2 GLU 52 1HB GLU 52 4.058 7.822 -8.513 408 HB3 GLU 52 2HB GLU 52 2.777 6.924 -9.314 409 HG2 GLU 52 1HG GLU 52 1.175 8.641 -8.753 410 HG3 GLU 52 2HG GLU 52 2.405 9.522 -7.846 411 H GLN 53 H GLN 53 1.445 5.071 -8.455 412 HA GLN 53 HA GLN 53 -1.194 6.012 -8.185 413 HB2 GLN 53 1HB GLN 53 -0.407 4.460 -9.967 414 HB3 GLN 53 2HB GLN 53 -0.284 3.186 -8.765 415 HG2 GLN 53 1HG GLN 53 -2.320 3.031 -10.127 416 HG3 GLN 53 2HG GLN 53 -2.660 3.224 -8.409 417 HE21 GLN 53 2HE2 GLN 53 -3.639 5.069 -7.686 418 HE22 GLN 53 1HE2 GLN 53 -4.360 6.229 -8.747 419 H ALA 54 H ALA 54 0.712 3.707 -6.310 420 HA ALA 54 HA ALA 54 -1.309 2.757 -4.624 421 HB1 ALA 54 3HB ALA 54 0.944 1.793 -4.702 422 HB2 ALA 54 1HB ALA 54 0.473 2.206 -3.052 423 HB3 ALA 54 2HB ALA 54 1.588 3.246 -3.940 424 H LEU 55 H LEU 55 0.766 5.618 -4.364 425 HA LEU 55 HA LEU 55 -0.277 6.583 -1.925 426 HB2 LEU 55 1HB LEU 55 1.002 8.042 -4.237 427 HB3 LEU 55 2HB LEU 55 0.609 8.797 -2.705 428 HG LEU 55 HG LEU 55 2.556 6.520 -3.073 429 HD11 LEU 55 1HD1 LEU 55 3.029 9.442 -2.512 430 HD12 LEU 55 2HD1 LEU 55 3.375 8.610 -4.027 431 HD13 LEU 55 3HD1 LEU 55 4.265 8.186 -2.564 432 HD21 LEU 55 3HD2 LEU 55 3.141 6.948 -0.741 433 HD22 LEU 55 1HD2 LEU 55 1.449 6.481 -0.897 434 HD23 LEU 55 2HD2 LEU 55 1.876 8.173 -0.644 435 H ARG 56 H ARG 56 -1.073 7.329 -5.293 436 HA ARG 56 HA ARG 56 -3.026 9.263 -4.823 437 HB2 ARG 56 1HB ARG 56 -2.021 8.819 -7.025 438 HB3 ARG 56 2HB ARG 56 -2.874 7.284 -7.101 439 HG2 ARG 56 1HG ARG 56 -5.010 8.466 -7.090 440 HG3 ARG 56 2HG ARG 56 -4.155 10.008 -7.009 441 HD2 ARG 56 1HD ARG 56 -3.082 9.519 -9.154 442 HD3 ARG 56 2HD ARG 56 -3.948 7.985 -9.237 443 HE ARG 56 HE ARG 56 -5.942 9.786 -8.972 444 HH11 ARG 56 1HH1 ARG 56 -3.236 9.499 -11.177 445 HH12 ARG 56 2HH1 ARG 56 -4.019 10.390 -12.450 446 HH21 ARG 56 1HH2 ARG 56 -6.993 10.902 -10.637 447 HH22 ARG 56 2HH2 ARG 56 -6.164 11.203 -12.140 448 H LEU 57 H LEU 57 -3.354 5.742 -5.133 449 HA LEU 57 HA LEU 57 -6.153 5.623 -4.976 450 HB2 LEU 57 1HB LEU 57 -4.050 3.631 -4.148 451 HB3 LEU 57 2HB LEU 57 -5.766 3.278 -4.130 452 HG LEU 57 HG LEU 57 -4.190 4.036 -6.590 453 HD11 LEU 57 1HD1 LEU 57 -3.520 1.858 -5.749 454 HD12 LEU 57 2HD1 LEU 57 -4.465 1.691 -7.230 455 HD13 LEU 57 3HD1 LEU 57 -5.209 1.356 -5.665 456 HD21 LEU 57 3HD2 LEU 57 -6.195 3.349 -7.800 457 HD22 LEU 57 1HD2 LEU 57 -6.540 4.690 -6.706 458 HD23 LEU 57 2HD2 LEU 57 -7.022 3.050 -6.270 459 H CYS 58 H CYS 58 -3.710 5.306 -2.408 460 HA CYS 58 HA CYS 58 -5.537 5.021 -0.291 461 HB2 CYS 58 1HB CYS 58 -2.734 6.161 -0.221 462 HB3 CYS 58 2HB CYS 58 -3.641 5.565 1.166 463 HG CYS 58 HG CYS 58 -2.163 3.805 -1.332 464 H ARG 59 H ARG 59 -4.062 7.860 -1.767 465 HA ARG 59 HA ARG 59 -4.962 9.788 0.068 466 HB2 ARG 59 1HB ARG 59 -3.232 10.211 -1.630 467 HB3 ARG 59 2HB ARG 59 -4.440 10.065 -2.900 468 HG2 ARG 59 1HG ARG 59 -5.597 12.024 -2.035 469 HG3 ARG 59 2HG ARG 59 -4.397 12.167 -0.748 470 HD2 ARG 59 1HD ARG 59 -2.642 12.450 -2.448 471 HD3 ARG 59 2HD ARG 59 -3.870 12.368 -3.710 472 HE ARG 59 HE ARG 59 -4.796 14.375 -2.224 473 HH11 ARG 59 1HH1 ARG 59 -1.563 13.732 -3.436 474 HH12 ARG 59 2HH1 ARG 59 -1.129 15.413 -3.500 475 HH21 ARG 59 1HH2 ARG 59 -4.227 16.556 -2.306 476 HH22 ARG 59 2HH2 ARG 59 -2.647 17.026 -2.852 477 H ALA 60 H ALA 60 -6.376 8.658 -2.992 478 HA ALA 60 HA ALA 60 -8.686 10.286 -2.844 479 HB1 ALA 60 3HB ALA 60 -8.291 7.704 -4.352 480 HB2 ALA 60 1HB ALA 60 -7.887 9.316 -4.943 481 HB3 ALA 60 2HB ALA 60 -9.570 8.888 -4.631 482 H SER 61 H SER 61 -7.934 7.074 -1.637 483 HA SER 61 HA SER 61 -10.563 6.326 -0.933 484 HB2 SER 61 1HB SER 61 -7.932 5.481 0.296 485 HB3 SER 61 2HB SER 61 -9.479 4.675 0.554 486 HG SER 61 HG SER 61 -7.977 4.888 -1.840 487 H LEU 62 H LEU 62 -8.073 8.175 0.764 488 HA LEU 62 HA LEU 62 -9.442 8.351 3.242 489 HB2 LEU 62 1HB LEU 62 -7.319 10.089 1.997 490 HB3 LEU 62 2HB LEU 62 -7.944 10.353 3.614 491 HG LEU 62 HG LEU 62 -6.522 7.857 2.682 492 HD11 LEU 62 1HD1 LEU 62 -4.705 8.629 4.134 493 HD12 LEU 62 2HD1 LEU 62 -5.595 10.121 4.441 494 HD13 LEU 62 3HD1 LEU 62 -5.016 9.759 2.815 495 HD21 LEU 62 3HD2 LEU 62 -7.463 8.685 5.425 496 HD22 LEU 62 1HD2 LEU 62 -6.522 7.242 5.046 497 HD23 LEU 62 2HD2 LEU 62 -8.167 7.410 4.431 498 H MET 63 H MET 63 -10.077 9.733 0.242 499 HA MET 63 HA MET 63 -11.715 11.858 1.440 500 HB2 MET 63 1HB MET 63 -10.715 11.451 -1.382 501 HB3 MET 63 2HB MET 63 -11.909 12.668 -0.953 502 HG2 MET 63 1HG MET 63 -9.118 12.497 0.164 503 HG3 MET 63 2HG MET 63 -9.643 13.584 -1.121 504 HE1 MET 63 3HE MET 63 -11.424 15.554 -0.750 505 HE2 MET 63 1HE MET 63 -12.225 15.856 0.789 506 HE3 MET 63 2HE MET 63 -12.560 14.373 -0.103 507 H GLY 64 H GLY 64 -12.064 8.768 0.865 508 HA2 GLY 64 1HA GLY 64 -13.918 7.426 0.647 509 HA3 GLY 64 2HA GLY 64 -14.897 8.885 0.666 510 H ASP 65 H ASP 65 -12.399 8.599 -1.703 511 HA ASP 65 HA ASP 65 -14.417 8.683 -3.796 512 HB2 ASP 65 1HB ASP 65 -12.365 10.182 -3.729 513 HB3 ASP 65 2HB ASP 65 -11.415 8.756 -4.133 514 H VAL 66 H VAL 66 -11.617 6.702 -2.915 515 HA VAL 66 HA VAL 66 -12.349 4.688 -4.885 516 HB VAL 66 HB VAL 66 -9.991 4.884 -2.999 517 HG11 VAL 66 1HG1 VAL 66 -9.061 2.965 -4.248 518 HG12 VAL 66 2HG1 VAL 66 -10.612 2.777 -5.067 519 HG13 VAL 66 3HG1 VAL 66 -10.502 2.547 -3.320 520 HG21 VAL 66 3HG2 VAL 66 -8.700 5.220 -5.056 521 HG22 VAL 66 1HG2 VAL 66 -9.924 6.473 -4.837 522 HG23 VAL 66 2HG2 VAL 66 -10.193 5.168 -5.994 523 H ALA 67 H ALA 67 -13.318 2.805 -4.409 524 HA ALA 67 HA ALA 67 -14.454 2.337 -1.858 525 HB1 ALA 67 3HB ALA 67 -15.503 1.521 -3.903 526 HB2 ALA 67 1HB ALA 67 -15.174 0.189 -2.794 527 HB3 ALA 67 2HB ALA 67 -14.131 0.451 -4.193 528 H GLY 68 H GLY 68 -13.988 0.663 -0.375 529 HA2 GLY 68 1HA GLY 68 -11.321 0.624 0.418 530 HA3 GLY 68 2HA GLY 68 -12.574 -0.432 1.047 531 H GLU 69 H GLU 69 -13.172 -1.937 -1.227 532 HA GLU 69 HA GLU 69 -11.056 -3.832 -1.077 533 HB2 GLU 69 1HB GLU 69 -13.395 -3.750 -2.989 534 HB3 GLU 69 2HB GLU 69 -12.375 -5.145 -2.667 535 HG2 GLU 69 1HG GLU 69 -13.119 -5.060 -0.294 536 HG3 GLU 69 2HG GLU 69 -14.248 -3.784 -0.747 537 H ILE 70 H ILE 70 -12.089 -1.547 -3.561 538 HA ILE 70 HA ILE 70 -10.485 -2.375 -5.674 539 HB ILE 70 HB ILE 70 -11.259 0.456 -4.947 540 HG12 ILE 70 1HG1 ILE 70 -12.565 -1.546 -6.805 541 HG13 ILE 70 2HG1 ILE 70 -13.185 -1.037 -5.237 542 HG21 ILE 70 1HG2 ILE 70 -10.876 0.978 -7.308 543 HG22 ILE 70 2HG2 ILE 70 -10.298 -0.665 -7.578 544 HG23 ILE 70 3HG2 ILE 70 -9.400 0.422 -6.520 545 HD11 ILE 70 3HD1 ILE 70 -13.448 1.239 -6.086 546 HD12 ILE 70 1HD1 ILE 70 -14.355 0.073 -7.048 547 HD13 ILE 70 2HD1 ILE 70 -12.831 0.722 -7.655 548 H ALA 71 H ALA 71 -9.763 -0.014 -3.123 549 HA ALA 71 HA ALA 71 -7.192 0.661 -4.046 550 HB1 ALA 71 3HB ALA 71 -8.289 0.844 -1.245 551 HB2 ALA 71 1HB ALA 71 -8.466 2.063 -2.506 552 HB3 ALA 71 2HB ALA 71 -6.868 1.686 -1.863 553 H ARG 72 H ARG 72 -8.263 -1.777 -1.675 554 HA ARG 72 HA ARG 72 -5.603 -2.276 -0.776 555 HB2 ARG 72 1HB ARG 72 -7.907 -2.735 0.404 556 HB3 ARG 72 2HB ARG 72 -7.761 -4.300 -0.392 557 HG2 ARG 72 1HG ARG 72 -5.262 -3.867 0.731 558 HG3 ARG 72 2HG ARG 72 -6.399 -3.280 1.944 559 HD2 ARG 72 1HD ARG 72 -5.953 -5.597 2.360 560 HD3 ARG 72 2HD ARG 72 -7.607 -5.438 1.774 561 HE ARG 72 HE ARG 72 -6.042 -5.941 -0.449 562 HH11 ARG 72 1HH1 ARG 72 -6.718 -7.566 2.574 563 HH12 ARG 72 2HH1 ARG 72 -6.625 -9.158 1.885 564 HH21 ARG 72 1HH2 ARG 72 -5.899 -8.048 -1.357 565 HH22 ARG 72 2HH2 ARG 72 -6.198 -9.437 -0.351 566 H THR 73 H THR 73 -7.708 -3.833 -3.161 567 HA THR 73 HA THR 73 -6.015 -6.079 -3.562 568 HB THR 73 HB THR 73 -7.965 -4.885 -5.543 569 HG1 THR 73 HG1 THR 73 -8.426 -6.932 -3.590 570 HG21 THR 73 3HG2 THR 73 -6.871 -7.687 -5.238 571 HG22 THR 73 1HG2 THR 73 -6.446 -6.543 -6.512 572 HG23 THR 73 2HG2 THR 73 -8.087 -7.181 -6.411 573 H ALA 74 H ALA 74 -6.329 -2.946 -5.201 574 HA ALA 74 HA ALA 74 -4.331 -3.434 -7.154 575 HB1 ALA 74 3HB ALA 74 -5.300 -0.796 -6.056 576 HB2 ALA 74 1HB ALA 74 -6.027 -1.680 -7.397 577 HB3 ALA 74 2HB ALA 74 -4.394 -1.031 -7.550 578 H PHE 75 H PHE 75 -4.272 -2.289 -3.866 579 HA PHE 75 HA PHE 75 -1.661 -1.307 -3.705 580 HB2 PHE 75 1HB PHE 75 -3.425 -1.147 -1.926 581 HB3 PHE 75 2HB PHE 75 -3.167 -2.851 -1.579 582 HD1 PHE 75 HD2 PHE 75 -1.119 -3.603 -0.493 583 HD2 PHE 75 HD1 PHE 75 -1.858 0.520 -1.237 584 HE1 PHE 75 HE2 PHE 75 0.663 -3.003 1.089 585 HE2 PHE 75 HE1 PHE 75 -0.078 1.125 0.348 586 HZ PHE 75 HZ PHE 75 1.187 -0.632 1.508 587 H VAL 76 H VAL 76 -2.928 -4.594 -3.272 588 HA VAL 76 HA VAL 76 -0.456 -5.839 -2.716 589 HB VAL 76 HB VAL 76 -2.942 -7.056 -3.941 590 HG11 VAL 76 1HG1 VAL 76 -2.072 -9.186 -3.090 591 HG12 VAL 76 2HG1 VAL 76 -0.599 -8.369 -2.565 592 HG13 VAL 76 3HG1 VAL 76 -0.988 -8.471 -4.283 593 HG21 VAL 76 3HG2 VAL 76 -3.390 -6.001 -1.790 594 HG22 VAL 76 1HG2 VAL 76 -2.048 -6.888 -1.065 595 HG23 VAL 76 2HG2 VAL 76 -3.466 -7.759 -1.653 596 H ALA 77 H ALA 77 -2.106 -5.048 -5.711 597 HA ALA 77 HA ALA 77 -0.476 -6.521 -7.475 598 HB1 ALA 77 3HB ALA 77 -1.914 -3.917 -7.993 599 HB2 ALA 77 1HB ALA 77 -2.611 -5.528 -8.154 600 HB3 ALA 77 2HB ALA 77 -1.297 -5.026 -9.217 601 H ALA 78 H ALA 78 -0.176 -3.254 -6.144 602 HA ALA 78 HA ALA 78 2.225 -2.622 -7.557 603 HB1 ALA 78 3HB ALA 78 0.732 -0.883 -6.693 604 HB2 ALA 78 1HB ALA 78 2.368 -0.702 -6.060 605 HB3 ALA 78 2HB ALA 78 1.100 -1.388 -5.044 606 H SER 79 H SER 79 1.477 -4.345 -4.665 607 HA SER 79 HA SER 79 4.009 -4.147 -3.390 608 HB2 SER 79 1HB SER 79 1.874 -6.277 -3.102 609 HB3 SER 79 2HB SER 79 3.207 -5.989 -1.984 610 HG SER 79 HG SER 79 1.285 -4.008 -2.645 611 H ARG 80 H ARG 80 2.908 -5.878 -6.102 612 HA ARG 80 HA ARG 80 4.466 -8.229 -5.862 613 HB2 ARG 80 1HB ARG 80 3.353 -6.920 -8.349 614 HB3 ARG 80 2HB ARG 80 3.963 -8.566 -8.245 615 HG2 ARG 80 1HG ARG 80 2.205 -9.110 -6.631 616 HG3 ARG 80 2HG ARG 80 1.587 -7.464 -6.761 617 HD2 ARG 80 1HD ARG 80 1.197 -7.842 -9.169 618 HD3 ARG 80 2HD ARG 80 1.740 -9.508 -8.972 619 HE ARG 80 HE ARG 80 -0.350 -8.935 -7.154 620 HH11 ARG 80 1HH1 ARG 80 0.272 -9.646 -10.524 621 HH12 ARG 80 2HH1 ARG 80 -1.347 -10.195 -10.836 622 HH21 ARG 80 1HH2 ARG 80 -2.477 -9.690 -7.544 623 HH22 ARG 80 2HH2 ARG 80 -2.916 -10.218 -9.147 624 H GLN 81 H GLN 81 5.235 -5.003 -6.862 625 HA GLN 81 HA GLN 81 7.563 -5.687 -8.371 626 HB2 GLN 81 1HB GLN 81 6.814 -3.079 -7.039 627 HB3 GLN 81 2HB GLN 81 8.152 -3.292 -8.160 628 HG2 GLN 81 1HG GLN 81 6.402 -4.124 -9.815 629 HG3 GLN 81 2HG GLN 81 5.210 -3.447 -8.706 630 HE21 GLN 81 2HE2 GLN 81 5.850 -2.705 -11.438 631 HE22 GLN 81 1HE2 GLN 81 6.291 -1.029 -11.389 632 H ALA 82 H ALA 82 6.861 -5.289 -5.009 633 HA ALA 82 HA ALA 82 9.627 -5.121 -4.201 634 HB1 ALA 82 3HB ALA 82 7.149 -5.691 -2.571 635 HB2 ALA 82 1HB ALA 82 7.876 -4.105 -2.829 636 HB3 ALA 82 2HB ALA 82 8.752 -5.340 -1.926 637 H HIS 83 H HIS 83 7.492 -7.523 -5.196 638 HA HIS 83 HA HIS 83 7.604 -9.764 -5.408 639 HB2 HIS 83 1HB HIS 83 10.526 -9.251 -4.827 640 HB3 HIS 83 2HB HIS 83 9.888 -10.825 -5.302 641 HD1 HIS 83 HD1 HIS 83 8.834 -10.970 -7.735 642 HD2 HIS 83 HD2 HIS 83 10.957 -7.492 -6.902 643 HE1 HIS 83 HE1 HIS 83 9.232 -9.869 -9.959 644 HE2 HIS 83 HE2 HIS 83 10.638 -7.841 -9.450 645 H CYS 84 H CYS 84 7.057 -8.526 -2.811 646 HA CYS 84 HA CYS 84 7.518 -10.902 -1.151 647 HB2 CYS 84 1HB CYS 84 7.395 -8.053 -0.133 648 HB3 CYS 84 2HB CYS 84 7.698 -9.499 0.824 649 HG CYS 84 HG CYS 84 9.818 -8.620 -1.695 650 H LEU 85 H LEU 85 5.509 -11.604 -2.012 651 HA LEU 85 HA LEU 85 3.157 -10.006 -1.323 652 HB2 LEU 85 1HB LEU 85 3.490 -12.405 -3.118 653 HB3 LEU 85 2HB LEU 85 1.953 -11.631 -2.788 654 HG LEU 85 HG LEU 85 4.301 -10.278 -4.108 655 HD11 LEU 85 1HD1 LEU 85 1.768 -11.406 -5.291 656 HD12 LEU 85 2HD1 LEU 85 3.399 -12.034 -5.524 657 HD13 LEU 85 3HD1 LEU 85 2.967 -10.447 -6.157 658 HD21 LEU 85 3HD2 LEU 85 2.668 -8.533 -4.632 659 HD22 LEU 85 1HD2 LEU 85 2.850 -8.745 -2.891 660 HD23 LEU 85 2HD2 LEU 85 1.439 -9.408 -3.717 661 H MET 86 H MET 86 1.760 -10.576 0.198 662 HA MET 86 HA MET 86 1.570 -13.395 0.967 663 HB2 MET 86 1HB MET 86 1.749 -11.047 2.857 664 HB3 MET 86 2HB MET 86 1.057 -12.587 3.337 665 HG2 MET 86 1HG MET 86 3.225 -13.664 2.745 666 HG3 MET 86 2HG MET 86 3.887 -12.054 2.471 667 HE1 MET 86 3HE MET 86 1.303 -13.184 5.229 668 HE2 MET 86 1HE MET 86 2.385 -13.572 6.567 669 HE3 MET 86 2HE MET 86 2.408 -14.553 5.100 670 H GLU 87 H GLU 87 -0.354 -13.883 0.095 671 HA GLU 87 HA GLU 87 -2.507 -12.072 -0.164 672 HB2 GLU 87 1HB GLU 87 -2.194 -14.155 -1.506 673 HB3 GLU 87 2HB GLU 87 -2.621 -15.094 -0.083 674 HG2 GLU 87 1HG GLU 87 -4.838 -14.406 -0.142 675 HG3 GLU 87 2HG GLU 87 -4.477 -13.015 -1.167 676 H ASP 88 H ASP 88 -4.192 -11.609 1.179 677 HA ASP 88 HA ASP 88 -3.479 -11.795 3.913 678 HB2 ASP 88 1HB ASP 88 -4.612 -9.834 2.776 679 HB3 ASP 88 2HB ASP 88 -6.106 -10.762 2.858 680 H LYS 89 H LYS 89 -4.940 -12.409 5.636 681 HA LYS 89 HA LYS 89 -5.808 -15.135 5.154 682 HB2 LYS 89 1HB LYS 89 -5.995 -15.013 7.762 683 HB3 LYS 89 2HB LYS 89 -4.415 -15.097 6.992 684 HG2 LYS 89 1HG LYS 89 -4.206 -12.657 7.187 685 HG3 LYS 89 2HG LYS 89 -5.769 -12.602 8.005 686 HD2 LYS 89 1HD LYS 89 -4.942 -13.776 9.875 687 HD3 LYS 89 2HD LYS 89 -3.483 -14.272 9.016 688 HE2 LYS 89 1HE LYS 89 -4.180 -11.426 9.731 689 HE3 LYS 89 2HE LYS 89 -3.092 -12.457 10.660 690 HZ1 LYS 89 3HZ LYS 89 -1.729 -11.155 9.277 691 HZ2 LYS 89 1HZ LYS 89 -2.700 -11.412 7.908 692 HZ3 LYS 89 2HZ LYS 89 -1.771 -12.680 8.544 693 H ALA 90 H ALA 90 -7.246 -12.104 5.331 694 HA ALA 90 HA ALA 90 -9.785 -13.118 6.363 695 HB1 ALA 90 3HB ALA 90 -9.057 -10.878 7.028 696 HB2 ALA 90 1HB ALA 90 -10.573 -10.823 6.128 697 HB3 ALA 90 2HB ALA 90 -9.060 -10.375 5.339 698 H GLU 91 H GLU 91 -8.287 -13.642 3.657 699 HA GLU 91 HA GLU 91 -10.725 -13.460 2.021 700 HB2 GLU 91 1HB GLU 91 -7.886 -13.371 0.981 701 HB3 GLU 91 2HB GLU 91 -9.363 -13.172 0.045 702 HG2 GLU 91 1HG GLU 91 -9.853 -11.118 1.322 703 HG3 GLU 91 2HG GLU 91 -8.312 -11.302 2.156 704 H ALA 92 H ALA 92 -11.243 -15.271 0.808 705 HA ALA 92 HA ALA 92 -11.523 -17.498 0.487 706 HB1 ALA 92 3HB ALA 92 -8.534 -17.658 0.868 707 HB2 ALA 92 1HB ALA 92 -9.361 -17.345 -0.657 708 HB3 ALA 92 2HB ALA 92 -9.560 -18.900 0.152 709 HA PRO 93 HA PRO 93 -12.051 -17.901 4.991 710 HB2 PRO 93 1HB PRO 93 -14.155 -19.762 4.021 711 HB3 PRO 93 2HB PRO 93 -14.267 -18.444 5.192 712 HG2 PRO 93 1HG PRO 93 -15.260 -18.172 2.741 713 HG3 PRO 93 2HG PRO 93 -14.438 -16.821 3.545 714 HD2 PRO 93 1HD PRO 93 -13.436 -18.643 1.397 715 HD3 PRO 93 2HD PRO 93 -13.173 -16.899 1.610 716 H ASN 94 H ASN 94 -11.566 -20.457 2.640 717 HA ASN 94 HA ASN 94 -11.381 -22.505 4.680 718 HB2 ASN 94 1HB ASN 94 -11.014 -22.548 1.689 719 HB3 ASN 94 2HB ASN 94 -10.708 -23.956 2.700 720 HD21 ASN 94 2HD2 ASN 94 -12.823 -23.418 4.565 721 HD22 ASN 94 1HD2 ASN 94 -14.312 -23.778 3.754 722 H THR 95 H THR 95 -9.321 -20.148 3.629 723 HA THR 95 HA THR 95 -6.857 -21.575 3.583 724 HB THR 95 HB THR 95 -7.364 -18.646 4.170 725 HG1 THR 95 HG1 THR 95 -7.843 -18.622 2.115 726 HG21 THR 95 3HG2 THR 95 -5.140 -19.364 4.897 727 HG22 THR 95 1HG2 THR 95 -5.033 -18.321 3.480 728 HG23 THR 95 2HG2 THR 95 -4.840 -20.065 3.307 729 H ILE 96 H ILE 96 -8.554 -19.702 6.082 730 HA ILE 96 HA ILE 96 -6.529 -20.439 8.043 731 HB ILE 96 HB ILE 96 -7.818 -18.941 9.579 732 HG12 ILE 96 1HG1 ILE 96 -9.347 -18.237 7.063 733 HG13 ILE 96 2HG1 ILE 96 -10.004 -19.156 8.413 734 HG21 ILE 96 1HG2 ILE 96 -5.868 -18.143 8.374 735 HG22 ILE 96 2HG2 ILE 96 -7.075 -16.865 8.502 736 HG23 ILE 96 3HG2 ILE 96 -6.872 -17.735 6.983 737 HD11 ILE 96 3HD1 ILE 96 -9.713 -17.227 9.873 738 HD12 ILE 96 1HD1 ILE 96 -10.714 -16.832 8.477 739 HD13 ILE 96 2HD1 ILE 96 -9.032 -16.308 8.531 740 H ALA 97 H ALA 97 -6.889 -21.677 9.817 741 HA ALA 97 HA ALA 97 -9.082 -23.531 9.702 742 HB1 ALA 97 3HB ALA 97 -6.841 -24.276 10.340 743 HB2 ALA 97 1HB ALA 97 -8.010 -24.594 11.621 744 HB3 ALA 97 2HB ALA 97 -6.896 -23.234 11.763 745 H SER 98 H SER 98 -10.828 -23.648 11.042 746 HA SER 98 HA SER 98 -11.066 -21.664 13.186 747 HB2 SER 98 1HB SER 98 -13.202 -22.123 11.089 748 HB3 SER 98 2HB SER 98 -13.268 -20.975 12.426 749 HG SER 98 HG SER 98 -11.074 -20.377 11.220 750 H GLY 99 H GLY 99 -11.331 -22.889 14.937 751 HA2 GLY 99 1HA GLY 99 -12.392 -24.330 16.398 752 HA3 GLY 99 2HA GLY 99 -13.597 -24.640 15.154 753 H SER 100 H SER 100 -13.698 -26.787 14.937 754 HA SER 100 HA SER 100 -11.280 -28.383 15.072 755 HB2 SER 100 1HB SER 100 -12.936 -30.297 14.811 756 HB3 SER 100 2HB SER 100 -13.130 -29.307 16.258 757 HG SER 100 HG SER 100 -14.632 -29.121 13.853 Start of MODEL 8 1 H1 MET 1 1H MET 1 -7.207 24.939 7.289 2 H2 MET 1 2H MET 1 -8.250 25.570 6.118 3 H3 MET 1 3H MET 1 -8.884 24.888 7.532 4 HA MET 1 HA MET 1 -7.379 27.414 7.235 5 HB2 MET 1 1HB MET 1 -10.112 26.740 8.350 6 HB3 MET 1 2HB MET 1 -9.377 28.336 8.418 7 HG2 MET 1 1HG MET 1 -9.411 28.517 6.028 8 HG3 MET 1 2HG MET 1 -9.965 26.851 5.869 9 HE1 MET 1 3HE MET 1 -11.155 29.459 8.558 10 HE2 MET 1 1HE MET 1 -12.538 30.196 7.748 11 HE3 MET 1 2HE MET 1 -10.907 30.463 7.131 12 H GLU 2 H GLU 2 -7.532 28.625 9.463 13 HA GLU 2 HA GLU 2 -6.033 26.957 11.305 14 HB2 GLU 2 1HB GLU 2 -6.652 29.915 11.309 15 HB3 GLU 2 2HB GLU 2 -5.639 29.108 12.497 16 HG2 GLU 2 1HG GLU 2 -4.009 28.562 10.862 17 HG3 GLU 2 2HG GLU 2 -5.065 29.084 9.549 18 H VAL 3 H VAL 3 -8.787 29.206 11.569 19 HA VAL 3 HA VAL 3 -9.460 28.333 14.205 20 HB VAL 3 HB VAL 3 -11.060 29.950 12.211 21 HG11 VAL 3 1HG1 VAL 3 -11.552 29.488 15.150 22 HG12 VAL 3 2HG1 VAL 3 -12.546 28.898 13.819 23 HG13 VAL 3 3HG1 VAL 3 -12.430 30.631 14.133 24 HG21 VAL 3 3HG2 VAL 3 -9.002 31.040 12.881 25 HG22 VAL 3 1HG2 VAL 3 -9.391 30.776 14.581 26 HG23 VAL 3 2HG2 VAL 3 -10.386 31.858 13.607 27 H GLN 4 H GLN 4 -11.180 28.003 11.099 28 HA GLN 4 HA GLN 4 -12.800 25.871 12.183 29 HB2 GLN 4 1HB GLN 4 -12.663 27.086 9.417 30 HB3 GLN 4 2HB GLN 4 -13.795 25.822 9.888 31 HG2 GLN 4 1HG GLN 4 -14.744 27.313 11.580 32 HG3 GLN 4 2HG GLN 4 -13.621 28.578 11.087 33 HE21 GLN 4 2HE2 GLN 4 -16.537 28.551 11.096 34 HE22 GLN 4 1HE2 GLN 4 -17.018 28.879 9.463 35 H SER 5 H SER 5 -12.187 23.840 12.222 36 HA SER 5 HA SER 5 -9.673 23.038 11.177 37 HB2 SER 5 1HB SER 5 -11.868 21.292 12.305 38 HB3 SER 5 2HB SER 5 -10.148 20.909 12.212 39 HG SER 5 HG SER 5 -9.998 22.998 13.536 40 H MET 6 H MET 6 -9.166 21.666 9.528 41 HA MET 6 HA MET 6 -11.295 21.065 7.599 42 HB2 MET 6 1HB MET 6 -9.337 22.281 6.740 43 HB3 MET 6 2HB MET 6 -8.281 20.991 7.299 44 HG2 MET 6 1HG MET 6 -9.396 19.439 5.751 45 HG3 MET 6 2HG MET 6 -10.394 20.769 5.165 46 HE1 MET 6 3HE MET 6 -6.778 19.282 5.412 47 HE2 MET 6 1HE MET 6 -6.584 20.853 6.189 48 HE3 MET 6 2HE MET 6 -5.812 20.536 4.635 49 H LEU 7 H LEU 7 -12.224 19.177 8.152 50 HA LEU 7 HA LEU 7 -10.595 17.007 9.200 51 HB2 LEU 7 1HB LEU 7 -13.568 17.187 8.701 52 HB3 LEU 7 2HB LEU 7 -12.756 15.830 9.458 53 HG LEU 7 HG LEU 7 -12.911 18.638 10.561 54 HD11 LEU 7 1HD1 LEU 7 -15.029 17.482 10.730 55 HD12 LEU 7 2HD1 LEU 7 -14.276 17.590 12.322 56 HD13 LEU 7 3HD1 LEU 7 -14.233 16.071 11.426 57 HD21 LEU 7 3HD2 LEU 7 -10.800 17.575 11.148 58 HD22 LEU 7 1HD2 LEU 7 -11.664 16.150 11.726 59 HD23 LEU 7 2HD2 LEU 7 -11.851 17.693 12.559 60 H LEU 8 H LEU 8 -10.711 14.855 8.286 61 HA LEU 8 HA LEU 8 -11.102 14.882 5.366 62 HB2 LEU 8 1HB LEU 8 -8.702 14.935 6.031 63 HB3 LEU 8 2HB LEU 8 -8.937 13.434 6.904 64 HG LEU 8 HG LEU 8 -9.529 12.330 4.750 65 HD11 LEU 8 1HD1 LEU 8 -8.656 14.966 3.578 66 HD12 LEU 8 2HD1 LEU 8 -10.273 14.265 3.503 67 HD13 LEU 8 3HD1 LEU 8 -8.932 13.484 2.664 68 HD21 LEU 8 3HD2 LEU 8 -6.826 13.664 4.843 69 HD22 LEU 8 1HD2 LEU 8 -7.239 12.221 3.915 70 HD23 LEU 8 2HD2 LEU 8 -7.278 12.178 5.677 71 H ASN 9 H ASN 9 -11.623 12.766 4.447 72 HA ASN 9 HA ASN 9 -13.301 11.234 6.257 73 HB2 ASN 9 1HB ASN 9 -12.880 10.980 3.265 74 HB3 ASN 9 2HB ASN 9 -14.010 10.009 4.204 75 HD21 ASN 9 2HD2 ASN 9 -14.508 11.830 1.985 76 HD22 ASN 9 1HD2 ASN 9 -15.621 13.016 2.578 77 H ASP 10 H ASP 10 -11.133 10.686 7.351 78 HA ASP 10 HA ASP 10 -9.470 8.754 6.083 79 HB2 ASP 10 1HB ASP 10 -8.440 8.457 8.293 80 HB3 ASP 10 2HB ASP 10 -8.602 10.160 7.889 81 H VAL 11 H VAL 11 -10.115 6.818 5.561 82 HA VAL 11 HA VAL 11 -12.338 5.604 7.009 83 HB VAL 11 HB VAL 11 -11.127 4.623 4.420 84 HG11 VAL 11 1HG1 VAL 11 -13.865 4.260 5.627 85 HG12 VAL 11 2HG1 VAL 11 -12.574 3.057 5.623 86 HG13 VAL 11 3HG1 VAL 11 -13.301 3.578 4.103 87 HG21 VAL 11 3HG2 VAL 11 -12.877 5.851 3.234 88 HG22 VAL 11 1HG2 VAL 11 -11.799 6.947 4.100 89 HG23 VAL 11 2HG2 VAL 11 -13.397 6.582 4.753 90 H LYS 12 H LYS 12 -12.172 3.618 7.968 91 HA LYS 12 HA LYS 12 -9.448 2.843 8.627 92 HB2 LYS 12 1HB LYS 12 -12.124 2.040 9.783 93 HB3 LYS 12 2HB LYS 12 -10.579 1.438 10.366 94 HG2 LYS 12 1HG LYS 12 -10.145 3.306 11.516 95 HG3 LYS 12 2HG LYS 12 -10.754 4.355 10.233 96 HD2 LYS 12 1HD LYS 12 -12.521 2.772 12.094 97 HD3 LYS 12 2HD LYS 12 -12.058 4.453 12.367 98 HE2 LYS 12 1HE LYS 12 -13.109 5.122 10.299 99 HE3 LYS 12 2HE LYS 12 -13.478 3.444 9.904 100 HZ1 LYS 12 3HZ LYS 12 -15.377 4.696 10.811 101 HZ2 LYS 12 1HZ LYS 12 -14.544 4.879 12.274 102 HZ3 LYS 12 2HZ LYS 12 -14.984 3.332 11.737 103 H TRP 13 H TRP 13 -10.984 2.256 6.086 104 HA TRP 13 HA TRP 13 -11.088 0.638 4.514 105 HB2 TRP 13 1HB TRP 13 -8.812 -0.014 6.076 106 HB3 TRP 13 2HB TRP 13 -9.659 -1.523 5.749 107 HD1 TRP 13 HD1 TRP 13 -10.642 -1.027 2.821 108 HE1 TRP 13 HE1 TRP 13 -8.962 -0.877 0.883 109 HE3 TRP 13 HE3 TRP 13 -6.436 0.119 5.488 110 HZ2 TRP 13 HZ2 TRP 13 -6.214 -0.356 0.531 111 HZ3 TRP 13 HZ3 TRP 13 -4.320 0.423 4.271 112 HH2 TRP 13 HH2 TRP 13 -4.213 0.190 1.844 113 H GLU 14 H GLU 14 -11.429 -1.946 4.399 114 HA GLU 14 HA GLU 14 -13.568 -2.624 6.306 115 HB2 GLU 14 1HB GLU 14 -13.002 -3.936 3.646 116 HB3 GLU 14 2HB GLU 14 -14.424 -4.146 4.653 117 HG2 GLU 14 1HG GLU 14 -15.152 -1.904 4.169 118 HG3 GLU 14 2HG GLU 14 -13.672 -1.588 3.259 119 H LYS 15 H LYS 15 -11.176 -4.197 4.250 120 HA LYS 15 HA LYS 15 -10.521 -6.053 6.425 121 HB2 LYS 15 1HB LYS 15 -9.838 -6.401 3.501 122 HB3 LYS 15 2HB LYS 15 -9.770 -7.612 4.770 123 HG2 LYS 15 1HG LYS 15 -11.691 -8.256 3.751 124 HG3 LYS 15 2HG LYS 15 -12.364 -7.100 4.899 125 HD2 LYS 15 1HD LYS 15 -12.322 -5.364 3.152 126 HD3 LYS 15 2HD LYS 15 -11.682 -6.545 2.009 127 HE2 LYS 15 1HE LYS 15 -13.724 -7.912 2.356 128 HE3 LYS 15 2HE LYS 15 -14.366 -6.634 3.385 129 HZ1 LYS 15 3HZ LYS 15 -13.723 -6.433 0.490 130 HZ2 LYS 15 1HZ LYS 15 -14.196 -5.113 1.455 131 HZ3 LYS 15 2HZ LYS 15 -15.267 -6.405 1.197 132 HA PRO 16 HA PRO 16 -6.766 -3.660 6.824 133 HB2 PRO 16 1HB PRO 16 -5.444 -5.565 8.326 134 HB3 PRO 16 2HB PRO 16 -6.557 -4.361 8.982 135 HG2 PRO 16 1HG PRO 16 -7.058 -7.224 8.282 136 HG3 PRO 16 2HG PRO 16 -7.633 -6.292 9.677 137 HD2 PRO 16 1HD PRO 16 -9.235 -6.806 7.595 138 HD3 PRO 16 2HD PRO 16 -9.305 -5.248 8.448 139 H VAL 17 H VAL 17 -4.608 -3.746 6.113 140 HA VAL 17 HA VAL 17 -4.145 -5.810 4.075 141 HB VAL 17 HB VAL 17 -2.869 -3.079 4.328 142 HG11 VAL 17 1HG1 VAL 17 -2.002 -3.498 2.081 143 HG12 VAL 17 2HG1 VAL 17 -2.710 -5.114 2.105 144 HG13 VAL 17 3HG1 VAL 17 -1.415 -4.702 3.229 145 HG21 VAL 17 3HG2 VAL 17 -5.025 -4.065 2.468 146 HG22 VAL 17 1HG2 VAL 17 -4.234 -2.493 2.372 147 HG23 VAL 17 2HG2 VAL 17 -5.222 -2.899 3.775 148 H THR 18 H THR 18 -2.595 -7.240 4.358 149 HA THR 18 HA THR 18 -0.511 -6.760 6.377 150 HB THR 18 HB THR 18 -1.245 -9.384 5.057 151 HG1 THR 18 HG1 THR 18 -2.614 -7.976 6.876 152 HG21 THR 18 3HG2 THR 18 0.293 -8.761 7.582 153 HG22 THR 18 1HG2 THR 18 0.995 -9.295 6.055 154 HG23 THR 18 2HG2 THR 18 -0.068 -10.371 6.961 155 H ILE 19 H ILE 19 1.140 -5.744 5.372 156 HA ILE 19 HA ILE 19 1.854 -6.569 2.652 157 HB ILE 19 HB ILE 19 1.494 -4.191 2.896 158 HG12 ILE 19 1HG1 ILE 19 4.465 -4.729 2.687 159 HG13 ILE 19 2HG1 ILE 19 3.307 -4.939 1.378 160 HG21 ILE 19 1HG2 ILE 19 2.885 -2.798 4.362 161 HG22 ILE 19 2HG2 ILE 19 3.611 -4.256 5.037 162 HG23 ILE 19 3HG2 ILE 19 1.892 -3.940 5.268 163 HD11 ILE 19 3HD1 ILE 19 4.508 -2.858 1.144 164 HD12 ILE 19 1HD1 ILE 19 3.990 -2.355 2.752 165 HD13 ILE 19 2HD1 ILE 19 2.801 -2.546 1.464 166 H SER 20 H SER 20 3.395 -8.011 2.448 167 HA SER 20 HA SER 20 5.246 -8.537 4.596 168 HB2 SER 20 1HB SER 20 4.253 -10.393 3.286 169 HB3 SER 20 2HB SER 20 5.044 -9.782 1.834 170 HG SER 20 HG SER 20 6.746 -10.838 2.425 171 H LEU 21 H LEU 21 7.122 -7.519 4.807 172 HA LEU 21 HA LEU 21 8.069 -5.854 2.621 173 HB2 LEU 21 1HB LEU 21 9.074 -6.095 5.457 174 HB3 LEU 21 2HB LEU 21 9.579 -4.889 4.287 175 HG LEU 21 HG LEU 21 6.840 -5.168 5.523 176 HD11 LEU 21 1HD1 LEU 21 8.921 -2.997 5.720 177 HD12 LEU 21 2HD1 LEU 21 8.498 -4.151 6.985 178 HD13 LEU 21 3HD1 LEU 21 7.314 -2.958 6.446 179 HD21 LEU 21 3HD2 LEU 21 7.800 -3.229 3.424 180 HD22 LEU 21 1HD2 LEU 21 6.237 -3.178 4.240 181 HD23 LEU 21 2HD2 LEU 21 6.637 -4.532 3.182 182 H GLN 22 H GLN 22 10.711 -5.698 2.876 183 HA GLN 22 HA GLN 22 11.545 -7.821 1.264 184 HB2 GLN 22 1HB GLN 22 12.529 -5.579 1.198 185 HB3 GLN 22 2HB GLN 22 13.218 -5.826 2.795 186 HG2 GLN 22 1HG GLN 22 14.606 -7.637 1.918 187 HG3 GLN 22 2HG GLN 22 13.912 -7.388 0.316 188 HE21 GLN 22 2HE2 GLN 22 16.686 -7.190 1.198 189 HE22 GLN 22 1HE2 GLN 22 17.192 -5.582 0.809 190 H ASN 23 H ASN 23 11.842 -7.345 4.732 191 HA ASN 23 HA ASN 23 13.692 -9.561 5.008 192 HB2 ASN 23 1HB ASN 23 12.287 -7.968 7.160 193 HB3 ASN 23 2HB ASN 23 13.608 -9.102 7.409 194 HD21 ASN 23 2HD2 ASN 23 13.546 -6.375 8.176 195 HD22 ASN 23 1HD2 ASN 23 14.821 -5.568 7.321 196 H GLY 24 H GLY 24 10.554 -9.524 4.310 197 HA2 GLY 24 1HA GLY 24 9.052 -11.302 4.347 198 HA3 GLY 24 2HA GLY 24 10.097 -12.130 5.494 199 H ALA 25 H ALA 25 9.527 -8.965 6.429 200 HA ALA 25 HA ALA 25 7.789 -9.857 8.576 201 HB1 ALA 25 3HB ALA 25 8.216 -7.657 9.557 202 HB2 ALA 25 1HB ALA 25 9.095 -7.175 8.107 203 HB3 ALA 25 2HB ALA 25 9.721 -8.469 9.130 204 HA PRO 26 HA PRO 26 4.353 -8.063 6.313 205 HB2 PRO 26 1HB PRO 26 2.470 -9.537 7.677 206 HB3 PRO 26 2HB PRO 26 3.348 -10.097 6.255 207 HG2 PRO 26 1HG PRO 26 3.546 -11.040 8.964 208 HG3 PRO 26 2HG PRO 26 4.368 -11.654 7.524 209 HD2 PRO 26 1HD PRO 26 5.374 -9.874 9.635 210 HD3 PRO 26 2HD PRO 26 6.272 -10.846 8.451 211 H ARG 27 H ARG 27 3.871 -6.033 6.868 212 HA ARG 27 HA ARG 27 3.053 -5.436 9.615 213 HB2 ARG 27 1HB ARG 27 3.721 -3.662 7.266 214 HB3 ARG 27 2HB ARG 27 3.024 -3.039 8.755 215 HG2 ARG 27 1HG ARG 27 4.966 -3.975 9.989 216 HG3 ARG 27 2HG ARG 27 5.675 -4.428 8.437 217 HD2 ARG 27 1HD ARG 27 5.765 -2.121 7.747 218 HD3 ARG 27 2HD ARG 27 4.899 -1.614 9.198 219 HE ARG 27 HE ARG 27 7.255 -3.007 9.915 220 HH11 ARG 27 1HH1 ARG 27 6.230 0.082 8.594 221 HH12 ARG 27 2HH1 ARG 27 7.598 0.946 9.231 222 HH21 ARG 27 1HH2 ARG 27 9.031 -1.865 10.749 223 HH22 ARG 27 2HH2 ARG 27 9.185 -0.161 10.454 224 H ILE 28 H ILE 28 1.017 -5.182 10.187 225 HA ILE 28 HA ILE 28 -1.032 -5.242 8.082 226 HB ILE 28 HB ILE 28 -1.320 -5.771 11.047 227 HG12 ILE 28 1HG1 ILE 28 -1.262 -7.701 8.715 228 HG13 ILE 28 2HG1 ILE 28 0.036 -7.477 9.882 229 HG21 ILE 28 1HG2 ILE 28 -3.377 -4.935 10.061 230 HG22 ILE 28 2HG2 ILE 28 -3.534 -6.650 10.449 231 HG23 ILE 28 3HG2 ILE 28 -3.275 -6.144 8.780 232 HD11 ILE 28 3HD1 ILE 28 -2.731 -8.482 10.508 233 HD12 ILE 28 1HD1 ILE 28 -1.409 -8.288 11.659 234 HD13 ILE 28 2HD1 ILE 28 -1.277 -9.470 10.356 235 H PHE 29 H PHE 29 -2.082 -3.441 7.605 236 HA PHE 29 HA PHE 29 -1.888 -1.144 9.402 237 HB2 PHE 29 1HB PHE 29 -2.999 -1.297 6.591 238 HB3 PHE 29 2HB PHE 29 -2.707 0.173 7.518 239 HD1 PHE 29 HD2 PHE 29 -0.183 0.252 8.491 240 HD2 PHE 29 HD1 PHE 29 -1.461 -1.788 4.984 241 HE1 PHE 29 HE2 PHE 29 2.109 0.342 7.610 242 HE2 PHE 29 HE1 PHE 29 0.831 -1.704 4.098 243 HZ PHE 29 HZ PHE 29 2.621 -0.639 5.411 244 H ASN 30 H ASN 30 -3.618 -0.166 10.355 245 HA ASN 30 HA ASN 30 -5.984 -1.828 10.626 246 HB2 ASN 30 1HB ASN 30 -5.241 0.755 12.021 247 HB3 ASN 30 2HB ASN 30 -6.603 -0.277 12.439 248 HD21 ASN 30 2HD2 ASN 30 -3.157 0.127 12.554 249 HD22 ASN 30 1HD2 ASN 30 -2.848 -1.166 13.669 250 H GLY 31 H GLY 31 -5.012 1.094 9.068 251 HA2 GLY 31 1HA GLY 31 -7.644 1.292 7.824 252 HA3 GLY 31 2HA GLY 31 -7.069 2.704 8.702 253 H VAL 32 H VAL 32 -7.490 3.401 6.297 254 HA VAL 32 HA VAL 32 -5.529 2.608 4.375 255 HB VAL 32 HB VAL 32 -7.253 5.080 4.223 256 HG11 VAL 32 1HG1 VAL 32 -7.056 4.753 1.818 257 HG12 VAL 32 2HG1 VAL 32 -6.046 3.336 2.084 258 HG13 VAL 32 3HG1 VAL 32 -5.473 4.932 2.568 259 HG21 VAL 32 3HG2 VAL 32 -8.923 3.711 3.071 260 HG22 VAL 32 1HG2 VAL 32 -8.681 3.171 4.732 261 HG23 VAL 32 2HG2 VAL 32 -7.964 2.268 3.398 262 H TYR 33 H TYR 33 -5.747 5.130 6.768 263 HA TYR 33 HA TYR 33 -3.928 6.947 5.621 264 HB2 TYR 33 1HB TYR 33 -5.385 7.623 7.458 265 HB3 TYR 33 2HB TYR 33 -4.581 6.489 8.540 266 HD1 TYR 33 HD2 TYR 33 -3.974 9.500 6.450 267 HD2 TYR 33 HD1 TYR 33 -2.683 7.147 9.752 268 HE1 TYR 33 HE2 TYR 33 -2.320 11.224 7.025 269 HE2 TYR 33 HE1 TYR 33 -1.023 8.863 10.336 270 HH TYR 33 HH TYR 33 0.215 10.688 9.197 271 H GLU 34 H GLU 34 -3.460 4.311 7.943 272 HA GLU 34 HA GLU 34 -0.716 4.675 8.372 273 HB2 GLU 34 1HB GLU 34 -2.404 2.175 8.480 274 HB3 GLU 34 2HB GLU 34 -0.743 2.265 9.055 275 HG2 GLU 34 1HG GLU 34 -1.292 3.592 10.853 276 HG3 GLU 34 2HG GLU 34 -2.763 4.197 10.090 277 H ALA 35 H ALA 35 -2.450 2.957 5.838 278 HA ALA 35 HA ALA 35 -0.190 1.679 4.697 279 HB1 ALA 35 3HB ALA 35 -2.499 0.958 4.266 280 HB2 ALA 35 1HB ALA 35 -1.614 1.271 2.772 281 HB3 ALA 35 2HB ALA 35 -2.786 2.448 3.368 282 H PHE 36 H PHE 36 -1.934 4.660 3.841 283 HA PHE 36 HA PHE 36 -0.229 5.443 1.741 284 HB2 PHE 36 1HB PHE 36 -2.461 6.407 2.051 285 HB3 PHE 36 2HB PHE 36 -1.955 7.138 3.570 286 HD1 PHE 36 HD1 PHE 36 -1.330 7.172 -0.088 287 HD2 PHE 36 HD2 PHE 36 -0.972 9.255 3.606 288 HE1 PHE 36 HE1 PHE 36 -0.634 9.196 -1.301 289 HE2 PHE 36 HE2 PHE 36 -0.274 11.280 2.400 290 HZ PHE 36 HZ PHE 36 -0.103 11.254 -0.056 291 H ASP 37 H ASP 37 -0.167 6.036 5.201 292 HA ASP 37 HA ASP 37 1.932 7.921 5.236 293 HB2 ASP 37 1HB ASP 37 0.388 7.515 7.135 294 HB3 ASP 37 2HB ASP 37 1.143 5.946 7.390 295 H PHE 38 H PHE 38 1.889 4.400 5.578 296 HA PHE 38 HA PHE 38 4.616 3.987 6.032 297 HB2 PHE 38 1HB PHE 38 2.954 2.223 6.339 298 HB3 PHE 38 2HB PHE 38 2.612 2.219 4.613 299 HD1 PHE 38 HD2 PHE 38 5.376 1.671 7.036 300 HD2 PHE 38 HD1 PHE 38 3.740 0.754 3.214 301 HE1 PHE 38 HE2 PHE 38 7.120 -0.030 6.697 302 HE2 PHE 38 HE1 PHE 38 5.482 -0.943 2.872 303 HZ PHE 38 HZ PHE 38 7.174 -1.337 4.614 304 H LEU 39 H LEU 39 2.778 4.242 3.032 305 HA LEU 39 HA LEU 39 4.818 3.598 1.229 306 HB2 LEU 39 1HB LEU 39 2.468 5.458 0.911 307 HB3 LEU 39 2HB LEU 39 3.494 4.939 -0.411 308 HG LEU 39 HG LEU 39 1.804 3.106 1.291 309 HD11 LEU 39 1HD1 LEU 39 1.399 4.123 -1.518 310 HD12 LEU 39 2HD1 LEU 39 0.431 4.545 -0.104 311 HD13 LEU 39 3HD1 LEU 39 0.419 2.893 -0.721 312 HD21 LEU 39 3HD2 LEU 39 3.791 2.003 0.438 313 HD22 LEU 39 1HD2 LEU 39 3.440 2.590 -1.188 314 HD23 LEU 39 2HD2 LEU 39 2.357 1.434 -0.414 315 H GLN 40 H GLN 40 4.149 6.546 2.965 316 HA GLN 40 HA GLN 40 5.966 8.082 1.314 317 HB2 GLN 40 1HB GLN 40 4.237 8.771 3.677 318 HB3 GLN 40 2HB GLN 40 5.419 9.904 3.039 319 HG2 GLN 40 1HG GLN 40 3.184 8.695 1.428 320 HG3 GLN 40 2HG GLN 40 3.109 10.268 2.221 321 HE21 GLN 40 2HE2 GLN 40 2.927 9.599 -0.611 322 HE22 GLN 40 1HE2 GLN 40 4.196 10.479 -1.399 323 H HIS 41 H HIS 41 5.966 6.514 4.428 324 HA HIS 41 HA HIS 41 8.482 7.824 5.114 325 HB2 HIS 41 1HB HIS 41 6.583 6.110 6.694 326 HB3 HIS 41 2HB HIS 41 8.190 6.506 7.291 327 HD1 HIS 41 HD1 HIS 41 8.647 9.024 7.867 328 HD2 HIS 41 HD2 HIS 41 4.700 8.125 6.906 329 HE1 HIS 41 HE1 HIS 41 7.287 10.996 8.650 330 HE2 HIS 41 HE2 HIS 41 4.892 10.332 8.241 331 H GLU 42 H GLU 42 7.418 4.437 5.558 332 HA GLU 42 HA GLU 42 10.247 3.757 5.164 333 HB2 GLU 42 1HB GLU 42 8.172 2.281 6.779 334 HB3 GLU 42 2HB GLU 42 9.880 1.883 6.671 335 HG2 GLU 42 1HG GLU 42 10.317 4.213 7.594 336 HG3 GLU 42 2HG GLU 42 8.598 4.250 7.984 337 H TRP 43 H TRP 43 8.216 3.824 2.964 338 HA TRP 43 HA TRP 43 7.792 1.144 2.149 339 HB2 TRP 43 1HB TRP 43 6.698 3.014 1.010 340 HB3 TRP 43 2HB TRP 43 8.257 3.623 0.467 341 HD1 TRP 43 HD1 TRP 43 9.022 2.848 -1.852 342 HE1 TRP 43 HE1 TRP 43 8.274 1.049 -3.536 343 HE3 TRP 43 HE3 TRP 43 5.552 0.414 1.032 344 HZ2 TRP 43 HZ2 TRP 43 6.456 -1.100 -3.630 345 HZ3 TRP 43 HZ3 TRP 43 4.359 -1.500 0.059 346 HH2 TRP 43 HH2 TRP 43 4.801 -2.241 -2.220 347 HA PRO 44 HA PRO 44 12.183 0.454 1.869 348 HB2 PRO 44 1HB PRO 44 12.127 -2.139 2.462 349 HB3 PRO 44 2HB PRO 44 11.639 -0.926 3.652 350 HG2 PRO 44 1HG PRO 44 9.967 -2.783 2.049 351 HG3 PRO 44 2HG PRO 44 9.681 -2.122 3.667 352 HD2 PRO 44 1HD PRO 44 8.614 -1.185 1.193 353 HD3 PRO 44 2HD PRO 44 8.427 -0.452 2.797 354 H ALA 45 H ALA 45 10.562 0.344 -0.692 355 HA ALA 45 HA ALA 45 12.466 -1.277 -2.171 356 HB1 ALA 45 3HB ALA 45 10.656 -2.862 -1.698 357 HB2 ALA 45 1HB ALA 45 10.755 -2.491 -3.419 358 HB3 ALA 45 2HB ALA 45 9.493 -1.755 -2.430 359 H ARG 46 H ARG 46 11.708 -1.081 -4.667 360 HA ARG 46 HA ARG 46 11.290 1.772 -5.106 361 HB2 ARG 46 1HB ARG 46 12.085 -0.448 -7.003 362 HB3 ARG 46 2HB ARG 46 11.847 1.225 -7.490 363 HG2 ARG 46 1HG ARG 46 13.904 0.224 -5.538 364 HG3 ARG 46 2HG ARG 46 14.194 0.752 -7.197 365 HD2 ARG 46 1HD ARG 46 13.212 2.441 -4.897 366 HD3 ARG 46 2HD ARG 46 14.791 2.526 -5.671 367 HE ARG 46 HE ARG 46 12.609 2.990 -7.483 368 HH11 ARG 46 1HH1 ARG 46 14.864 4.446 -5.250 369 HH12 ARG 46 2HH1 ARG 46 14.599 6.064 -5.825 370 HH21 ARG 46 1HH2 ARG 46 12.243 5.146 -8.259 371 HH22 ARG 46 2HH2 ARG 46 13.109 6.461 -7.524 372 H GLY 47 H GLY 47 10.213 0.729 -7.897 373 HA2 GLY 47 1HA GLY 47 7.957 -0.210 -8.364 374 HA3 GLY 47 2HA GLY 47 7.416 0.719 -6.964 375 H ASP 48 H ASP 48 8.488 3.041 -7.148 376 HA ASP 48 HA ASP 48 8.595 5.076 -8.102 377 HB2 ASP 48 1HB ASP 48 10.116 3.569 -9.657 378 HB3 ASP 48 2HB ASP 48 8.860 3.915 -10.842 379 H ARG 49 H ARG 49 7.283 3.675 -11.031 380 HA ARG 49 HA ARG 49 5.253 5.623 -11.254 381 HB2 ARG 49 1HB ARG 49 5.334 2.937 -12.632 382 HB3 ARG 49 2HB ARG 49 4.509 4.389 -13.182 383 HG2 ARG 49 1HG ARG 49 7.491 4.069 -12.934 384 HG3 ARG 49 2HG ARG 49 6.566 3.943 -14.431 385 HD2 ARG 49 1HD ARG 49 6.704 6.388 -12.671 386 HD3 ARG 49 2HD ARG 49 7.643 6.146 -14.143 387 HE ARG 49 HE ARG 49 4.869 6.894 -13.943 388 HH11 ARG 49 1HH1 ARG 49 7.310 5.413 -15.974 389 HH12 ARG 49 2HH1 ARG 49 6.476 5.758 -17.460 390 HH21 ARG 49 1HH2 ARG 49 3.768 7.371 -15.893 391 HH22 ARG 49 2HH2 ARG 49 4.462 6.877 -17.416 392 H ALA 50 H ALA 50 5.142 2.171 -10.402 393 HA ALA 50 HA ALA 50 2.355 2.093 -9.905 394 HB1 ALA 50 3HB ALA 50 2.813 -0.058 -8.821 395 HB2 ALA 50 1HB ALA 50 4.540 0.287 -8.873 396 HB3 ALA 50 2HB ALA 50 3.639 0.076 -10.373 397 H HIS 51 H HIS 51 5.112 2.993 -7.996 398 HA HIS 51 HA HIS 51 3.927 2.863 -5.434 399 HB2 HIS 51 1HB HIS 51 6.344 3.034 -5.693 400 HB3 HIS 51 2HB HIS 51 6.178 4.604 -6.469 401 HD1 HIS 51 HD1 HIS 51 5.870 2.943 -3.099 402 HD2 HIS 51 HD2 HIS 51 5.975 6.756 -4.748 403 HE1 HIS 51 HE1 HIS 51 6.073 4.516 -1.152 404 HE2 HIS 51 HE2 HIS 51 6.352 6.799 -2.186 405 H GLU 52 H GLU 52 4.111 5.402 -7.879 406 HA GLU 52 HA GLU 52 2.812 7.406 -6.354 407 HB2 GLU 52 1HB GLU 52 2.963 7.074 -9.354 408 HB3 GLU 52 2HB GLU 52 2.468 8.537 -8.512 409 HG2 GLU 52 1HG GLU 52 4.660 8.747 -7.524 410 HG3 GLU 52 2HG GLU 52 5.169 7.240 -8.284 411 H GLN 53 H GLN 53 1.640 4.931 -8.587 412 HA GLN 53 HA GLN 53 -1.033 5.774 -8.708 413 HB2 GLN 53 1HB GLN 53 0.019 2.944 -8.893 414 HB3 GLN 53 2HB GLN 53 -1.551 3.501 -9.455 415 HG2 GLN 53 1HG GLN 53 -0.379 5.016 -11.036 416 HG3 GLN 53 2HG GLN 53 1.144 4.283 -10.537 417 HE21 GLN 53 2HE2 GLN 53 -0.041 4.344 -13.158 418 HE22 GLN 53 1HE2 GLN 53 -0.284 2.700 -13.640 419 H ALA 54 H ALA 54 0.601 3.516 -6.519 420 HA ALA 54 HA ALA 54 -1.620 2.782 -4.984 421 HB1 ALA 54 3HB ALA 54 -0.024 2.124 -3.266 422 HB2 ALA 54 1HB ALA 54 1.244 3.050 -4.072 423 HB3 ALA 54 2HB ALA 54 0.545 1.637 -4.864 424 H LEU 55 H LEU 55 0.586 5.530 -4.689 425 HA LEU 55 HA LEU 55 -0.393 6.589 -2.279 426 HB2 LEU 55 1HB LEU 55 0.812 7.994 -4.664 427 HB3 LEU 55 2HB LEU 55 0.528 8.753 -3.111 428 HG LEU 55 HG LEU 55 2.374 6.407 -3.565 429 HD11 LEU 55 1HD1 LEU 55 3.210 8.421 -4.653 430 HD12 LEU 55 2HD1 LEU 55 4.180 8.021 -3.235 431 HD13 LEU 55 3HD1 LEU 55 2.997 9.328 -3.155 432 HD21 LEU 55 3HD2 LEU 55 1.938 8.163 -1.151 433 HD22 LEU 55 1HD2 LEU 55 3.144 6.886 -1.298 434 HD23 LEU 55 2HD2 LEU 55 1.428 6.483 -1.316 435 H ARG 56 H ARG 56 -1.294 7.222 -5.637 436 HA ARG 56 HA ARG 56 -3.225 9.196 -5.187 437 HB2 ARG 56 1HB ARG 56 -2.247 8.560 -7.405 438 HB3 ARG 56 2HB ARG 56 -3.232 7.105 -7.374 439 HG2 ARG 56 1HG ARG 56 -5.255 8.539 -7.280 440 HG3 ARG 56 2HG ARG 56 -4.211 9.950 -7.477 441 HD2 ARG 56 1HD ARG 56 -3.360 8.917 -9.592 442 HD3 ARG 56 2HD ARG 56 -4.593 7.668 -9.409 443 HE ARG 56 HE ARG 56 -5.381 10.502 -9.529 444 HH11 ARG 56 1HH1 ARG 56 -5.459 7.270 -10.900 445 HH12 ARG 56 2HH1 ARG 56 -6.659 7.671 -12.092 446 HH21 ARG 56 1HH2 ARG 56 -6.957 11.017 -11.110 447 HH22 ARG 56 2HH2 ARG 56 -7.493 9.784 -12.214 448 H LEU 57 H LEU 57 -3.497 5.673 -5.322 449 HA LEU 57 HA LEU 57 -6.312 5.550 -5.135 450 HB2 LEU 57 1HB LEU 57 -4.242 3.500 -4.352 451 HB3 LEU 57 2HB LEU 57 -5.953 3.182 -4.572 452 HG LEU 57 HG LEU 57 -4.126 4.174 -6.759 453 HD11 LEU 57 1HD1 LEU 57 -4.241 1.889 -7.636 454 HD12 LEU 57 2HD1 LEU 57 -5.097 1.384 -6.179 455 HD13 LEU 57 3HD1 LEU 57 -3.435 1.962 -6.069 456 HD21 LEU 57 3HD2 LEU 57 -6.939 3.084 -6.828 457 HD22 LEU 57 1HD2 LEU 57 -5.968 3.514 -8.236 458 HD23 LEU 57 2HD2 LEU 57 -6.464 4.761 -7.092 459 H CYS 58 H CYS 58 -3.780 5.175 -2.657 460 HA CYS 58 HA CYS 58 -5.523 4.751 -0.488 461 HB2 CYS 58 1HB CYS 58 -2.770 6.010 -0.465 462 HB3 CYS 58 2HB CYS 58 -3.609 5.337 0.929 463 HG CYS 58 HG CYS 58 -2.239 3.674 -1.711 464 H ARG 59 H ARG 59 -4.173 7.716 -1.866 465 HA ARG 59 HA ARG 59 -5.225 9.474 0.083 466 HB2 ARG 59 1HB ARG 59 -3.446 10.229 -1.338 467 HB3 ARG 59 2HB ARG 59 -4.395 9.921 -2.786 468 HG2 ARG 59 1HG ARG 59 -5.931 11.700 -2.182 469 HG3 ARG 59 2HG ARG 59 -5.031 11.989 -0.694 470 HD2 ARG 59 1HD ARG 59 -3.138 12.766 -1.887 471 HD3 ARG 59 2HD ARG 59 -3.781 12.183 -3.423 472 HE ARG 59 HE ARG 59 -5.630 13.898 -2.963 473 HH11 ARG 59 1HH1 ARG 59 -2.270 14.328 -2.037 474 HH12 ARG 59 2HH1 ARG 59 -2.360 16.067 -2.088 475 HH21 ARG 59 1HH2 ARG 59 -5.739 16.139 -3.036 476 HH22 ARG 59 2HH2 ARG 59 -4.342 17.104 -2.661 477 H ALA 60 H ALA 60 -6.489 8.290 -3.005 478 HA ALA 60 HA ALA 60 -8.830 9.887 -3.011 479 HB1 ALA 60 3HB ALA 60 -7.954 8.803 -5.030 480 HB2 ALA 60 1HB ALA 60 -9.642 8.382 -4.740 481 HB3 ALA 60 2HB ALA 60 -8.366 7.226 -4.356 482 H SER 61 H SER 61 -8.039 6.771 -1.609 483 HA SER 61 HA SER 61 -10.689 6.090 -0.850 484 HB2 SER 61 1HB SER 61 -8.813 4.453 -0.994 485 HB3 SER 61 2HB SER 61 -8.093 5.202 0.429 486 HG SER 61 HG SER 61 -10.719 4.522 0.784 487 H LEU 62 H LEU 62 -8.126 7.997 0.602 488 HA LEU 62 HA LEU 62 -9.411 8.354 3.130 489 HB2 LEU 62 1HB LEU 62 -7.213 9.892 1.746 490 HB3 LEU 62 2HB LEU 62 -7.779 10.263 3.363 491 HG LEU 62 HG LEU 62 -6.568 7.617 2.546 492 HD11 LEU 62 1HD1 LEU 62 -4.926 9.414 2.405 493 HD12 LEU 62 2HD1 LEU 62 -4.593 8.359 3.778 494 HD13 LEU 62 3HD1 LEU 62 -5.343 9.934 4.038 495 HD21 LEU 62 3HD2 LEU 62 -8.112 7.467 4.438 496 HD22 LEU 62 1HD2 LEU 62 -7.236 8.759 5.259 497 HD23 LEU 62 2HD2 LEU 62 -6.444 7.214 4.951 498 H MET 63 H MET 63 -10.184 9.452 0.091 499 HA MET 63 HA MET 63 -11.487 11.866 1.121 500 HB2 MET 63 1HB MET 63 -11.188 10.870 -1.719 501 HB3 MET 63 2HB MET 63 -12.014 12.350 -1.253 502 HG2 MET 63 1HG MET 63 -9.872 13.147 -0.262 503 HG3 MET 63 2HG MET 63 -9.090 11.726 -0.955 504 HE1 MET 63 3HE MET 63 -10.862 15.136 -1.643 505 HE2 MET 63 1HE MET 63 -11.967 14.010 -2.430 506 HE3 MET 63 2HE MET 63 -11.018 15.136 -3.400 507 H GLY 64 H GLY 64 -12.062 8.611 0.476 508 HA2 GLY 64 1HA GLY 64 -14.041 7.505 1.107 509 HA3 GLY 64 2HA GLY 64 -14.919 9.014 0.919 510 H ASP 65 H ASP 65 -13.016 8.722 -1.763 511 HA ASP 65 HA ASP 65 -15.321 7.977 -3.354 512 HB2 ASP 65 1HB ASP 65 -12.558 8.914 -4.143 513 HB3 ASP 65 2HB ASP 65 -13.842 8.548 -5.293 514 H VAL 66 H VAL 66 -12.626 6.415 -2.055 515 HA VAL 66 HA VAL 66 -12.995 4.152 -3.904 516 HB VAL 66 HB VAL 66 -10.591 4.794 -2.179 517 HG11 VAL 66 1HG1 VAL 66 -11.047 2.500 -4.082 518 HG12 VAL 66 2HG1 VAL 66 -10.947 2.391 -2.326 519 HG13 VAL 66 3HG1 VAL 66 -9.531 2.870 -3.261 520 HG21 VAL 66 3HG2 VAL 66 -10.751 6.230 -4.134 521 HG22 VAL 66 1HG2 VAL 66 -10.940 4.820 -5.176 522 HG23 VAL 66 2HG2 VAL 66 -9.422 5.085 -4.316 523 H ALA 67 H ALA 67 -14.291 2.681 -3.059 524 HA ALA 67 HA ALA 67 -14.779 2.607 -0.222 525 HB1 ALA 67 3HB ALA 67 -16.556 1.051 -0.744 526 HB2 ALA 67 1HB ALA 67 -15.977 0.909 -2.403 527 HB3 ALA 67 2HB ALA 67 -16.627 2.443 -1.824 528 H GLY 68 H GLY 68 -12.776 1.853 0.559 529 HA2 GLY 68 1HA GLY 68 -11.540 0.229 1.586 530 HA3 GLY 68 2HA GLY 68 -13.020 -0.704 1.528 531 H GLU 69 H GLU 69 -13.325 -2.207 -0.103 532 HA GLU 69 HA GLU 69 -11.319 -3.966 -0.536 533 HB2 GLU 69 1HB GLU 69 -13.787 -4.284 -0.918 534 HB3 GLU 69 2HB GLU 69 -13.572 -3.527 -2.492 535 HG2 GLU 69 1HG GLU 69 -13.583 -5.900 -2.766 536 HG3 GLU 69 2HG GLU 69 -11.953 -5.302 -3.073 537 H ILE 70 H ILE 70 -12.281 -1.399 -2.790 538 HA ILE 70 HA ILE 70 -10.747 -2.142 -4.990 539 HB ILE 70 HB ILE 70 -11.375 0.682 -4.117 540 HG12 ILE 70 1HG1 ILE 70 -12.957 -1.184 -5.902 541 HG13 ILE 70 2HG1 ILE 70 -13.390 -0.750 -4.251 542 HG21 ILE 70 1HG2 ILE 70 -11.208 1.207 -6.513 543 HG22 ILE 70 2HG2 ILE 70 -10.699 -0.452 -6.829 544 HG23 ILE 70 3HG2 ILE 70 -9.686 0.611 -5.852 545 HD11 ILE 70 3HD1 ILE 70 -13.643 1.580 -4.928 546 HD12 ILE 70 1HD1 ILE 70 -14.688 0.514 -5.867 547 HD13 ILE 70 2HD1 ILE 70 -13.206 1.147 -6.581 548 H ALA 71 H ALA 71 -9.868 -0.093 -2.235 549 HA ALA 71 HA ALA 71 -7.302 0.598 -3.263 550 HB1 ALA 71 3HB ALA 71 -8.475 2.030 -1.672 551 HB2 ALA 71 1HB ALA 71 -6.894 1.554 -1.053 552 HB3 ALA 71 2HB ALA 71 -8.353 0.775 -0.440 553 H ARG 72 H ARG 72 -8.528 -1.957 -1.200 554 HA ARG 72 HA ARG 72 -6.003 -2.785 -0.182 555 HB2 ARG 72 1HB ARG 72 -8.103 -3.376 0.955 556 HB3 ARG 72 2HB ARG 72 -8.580 -4.360 -0.425 557 HG2 ARG 72 1HG ARG 72 -6.683 -5.836 -0.048 558 HG3 ARG 72 2HG ARG 72 -6.166 -4.842 1.310 559 HD2 ARG 72 1HD ARG 72 -7.308 -6.723 2.202 560 HD3 ARG 72 2HD ARG 72 -8.365 -5.327 2.394 561 HE ARG 72 HE ARG 72 -9.466 -6.206 0.260 562 HH11 ARG 72 1HH1 ARG 72 -7.918 -8.272 2.629 563 HH12 ARG 72 2HH1 ARG 72 -8.941 -9.631 2.306 564 HH21 ARG 72 1HH2 ARG 72 -10.814 -7.964 -0.170 565 HH22 ARG 72 2HH2 ARG 72 -10.596 -9.467 0.692 566 H THR 73 H THR 73 -8.075 -4.006 -2.794 567 HA THR 73 HA THR 73 -6.372 -6.118 -3.545 568 HB THR 73 HB THR 73 -7.701 -5.908 -5.757 569 HG1 THR 73 HG1 THR 73 -9.408 -4.303 -4.155 570 HG21 THR 73 3HG2 THR 73 -9.127 -6.378 -3.137 571 HG22 THR 73 1HG2 THR 73 -8.193 -7.571 -4.040 572 HG23 THR 73 2HG2 THR 73 -9.685 -6.922 -4.720 573 H ALA 74 H ALA 74 -6.686 -2.789 -4.690 574 HA ALA 74 HA ALA 74 -4.828 -3.025 -6.816 575 HB1 ALA 74 3HB ALA 74 -6.523 -1.257 -6.698 576 HB2 ALA 74 1HB ALA 74 -4.898 -0.602 -6.898 577 HB3 ALA 74 2HB ALA 74 -5.681 -0.553 -5.319 578 H PHE 75 H PHE 75 -4.504 -2.184 -3.406 579 HA PHE 75 HA PHE 75 -1.871 -1.196 -3.508 580 HB2 PHE 75 1HB PHE 75 -3.424 -0.935 -1.568 581 HB3 PHE 75 2HB PHE 75 -3.188 -2.639 -1.197 582 HD1 PHE 75 HD1 PHE 75 -1.563 0.655 -1.342 583 HD2 PHE 75 HD2 PHE 75 -1.218 -3.400 -0.094 584 HE1 PHE 75 HE1 PHE 75 0.417 1.235 -0.005 585 HE2 PHE 75 HE2 PHE 75 0.763 -2.826 1.245 586 HZ PHE 75 HZ PHE 75 1.582 -0.503 1.288 587 H VAL 76 H VAL 76 -3.149 -4.452 -2.996 588 HA VAL 76 HA VAL 76 -0.655 -5.709 -2.562 589 HB VAL 76 HB VAL 76 -3.209 -6.910 -3.660 590 HG11 VAL 76 1HG1 VAL 76 -2.312 -9.051 -2.884 591 HG12 VAL 76 2HG1 VAL 76 -0.810 -8.253 -2.416 592 HG13 VAL 76 3HG1 VAL 76 -1.277 -8.328 -4.116 593 HG21 VAL 76 3HG2 VAL 76 -2.163 -6.771 -0.836 594 HG22 VAL 76 1HG2 VAL 76 -3.613 -7.629 -1.356 595 HG23 VAL 76 2HG2 VAL 76 -3.536 -5.872 -1.481 596 H ALA 77 H ALA 77 -2.486 -4.935 -5.457 597 HA ALA 77 HA ALA 77 -0.915 -6.388 -7.301 598 HB1 ALA 77 3HB ALA 77 -2.551 -3.892 -7.743 599 HB2 ALA 77 1HB ALA 77 -3.136 -5.553 -7.850 600 HB3 ALA 77 2HB ALA 77 -1.939 -4.963 -9.003 601 H ALA 78 H ALA 78 -0.498 -3.285 -5.757 602 HA ALA 78 HA ALA 78 1.613 -2.405 -7.485 603 HB1 ALA 78 3HB ALA 78 0.885 -1.458 -4.714 604 HB2 ALA 78 1HB ALA 78 0.238 -0.815 -6.225 605 HB3 ALA 78 2HB ALA 78 1.953 -0.634 -5.851 606 H SER 79 H SER 79 1.393 -4.123 -4.427 607 HA SER 79 HA SER 79 4.177 -4.094 -3.838 608 HB2 SER 79 1HB SER 79 2.241 -4.538 -2.222 609 HB3 SER 79 2HB SER 79 2.194 -6.168 -2.887 610 HG SER 79 HG SER 79 4.200 -6.570 -2.073 611 H ARG 80 H ARG 80 2.372 -5.695 -6.160 612 HA ARG 80 HA ARG 80 3.633 -8.173 -6.433 613 HB2 ARG 80 1HB ARG 80 1.623 -7.601 -7.668 614 HB3 ARG 80 2HB ARG 80 2.467 -6.315 -8.514 615 HG2 ARG 80 1HG ARG 80 2.275 -8.091 -10.035 616 HG3 ARG 80 2HG ARG 80 3.953 -8.093 -9.494 617 HD2 ARG 80 1HD ARG 80 3.479 -9.916 -7.960 618 HD3 ARG 80 2HD ARG 80 1.776 -9.886 -8.423 619 HE ARG 80 HE ARG 80 3.759 -10.337 -10.520 620 HH11 ARG 80 1HH1 ARG 80 1.355 -11.728 -8.380 621 HH12 ARG 80 2HH1 ARG 80 1.113 -13.136 -9.367 622 HH21 ARG 80 1HH2 ARG 80 3.403 -12.135 -11.841 623 HH22 ARG 80 2HH2 ARG 80 2.273 -13.366 -11.345 624 H GLN 81 H GLN 81 4.526 -4.965 -7.663 625 HA GLN 81 HA GLN 81 6.759 -5.980 -9.160 626 HB2 GLN 81 1HB GLN 81 5.984 -3.150 -8.443 627 HB3 GLN 81 2HB GLN 81 7.305 -3.581 -9.520 628 HG2 GLN 81 1HG GLN 81 5.596 -4.792 -10.926 629 HG3 GLN 81 2HG GLN 81 4.365 -4.010 -9.936 630 HE21 GLN 81 2HE2 GLN 81 4.946 -3.774 -12.787 631 HE22 GLN 81 1HE2 GLN 81 5.253 -2.090 -13.077 632 H ALA 82 H ALA 82 6.256 -5.337 -5.912 633 HA ALA 82 HA ALA 82 8.984 -4.604 -5.289 634 HB1 ALA 82 3HB ALA 82 8.288 -4.750 -2.958 635 HB2 ALA 82 1HB ALA 82 6.747 -5.454 -3.447 636 HB3 ALA 82 2HB ALA 82 7.137 -3.791 -3.889 637 H HIS 83 H HIS 83 7.476 -7.363 -6.241 638 HA HIS 83 HA HIS 83 8.099 -9.541 -6.399 639 HB2 HIS 83 1HB HIS 83 10.699 -8.724 -5.083 640 HB3 HIS 83 2HB HIS 83 10.405 -10.189 -6.008 641 HD1 HIS 83 HD1 HIS 83 10.228 -9.922 -8.618 642 HD2 HIS 83 HD2 HIS 83 11.297 -6.479 -6.542 643 HE1 HIS 83 HE1 HIS 83 11.114 -8.324 -10.351 644 HE2 HIS 83 HE2 HIS 83 11.567 -6.185 -9.091 645 H CYS 84 H CYS 84 6.750 -8.486 -4.007 646 HA CYS 84 HA CYS 84 7.168 -10.738 -2.279 647 HB2 CYS 84 1HB CYS 84 8.890 -9.082 -1.526 648 HB3 CYS 84 2HB CYS 84 7.586 -7.958 -1.164 649 HG CYS 84 HG CYS 84 7.308 -8.744 1.238 650 H LEU 85 H LEU 85 5.119 -11.303 -2.536 651 HA LEU 85 HA LEU 85 3.008 -9.435 -1.724 652 HB2 LEU 85 1HB LEU 85 2.845 -12.116 -3.113 653 HB3 LEU 85 2HB LEU 85 1.459 -11.141 -2.662 654 HG LEU 85 HG LEU 85 3.594 -10.317 -4.632 655 HD11 LEU 85 1HD1 LEU 85 0.765 -11.262 -5.064 656 HD12 LEU 85 2HD1 LEU 85 2.238 -12.127 -5.502 657 HD13 LEU 85 3HD1 LEU 85 1.830 -10.614 -6.310 658 HD21 LEU 85 3HD2 LEU 85 0.996 -9.004 -3.844 659 HD22 LEU 85 1HD2 LEU 85 2.058 -8.478 -5.150 660 HD23 LEU 85 2HD2 LEU 85 2.618 -8.414 -3.479 661 H MET 86 H MET 86 1.213 -10.477 -0.411 662 HA MET 86 HA MET 86 2.253 -11.558 1.986 663 HB2 MET 86 1HB MET 86 0.179 -10.226 1.897 664 HB3 MET 86 2HB MET 86 -0.605 -11.507 0.984 665 HG2 MET 86 1HG MET 86 -0.351 -13.016 2.893 666 HG3 MET 86 2HG MET 86 0.414 -11.719 3.810 667 HE1 MET 86 3HE MET 86 -2.891 -12.969 2.096 668 HE2 MET 86 1HE MET 86 -2.621 -11.414 1.307 669 HE3 MET 86 2HE MET 86 -3.986 -11.622 2.406 670 H GLU 87 H GLU 87 1.105 -12.958 -0.944 671 HA GLU 87 HA GLU 87 0.733 -15.615 0.102 672 HB2 GLU 87 1HB GLU 87 -0.572 -14.798 -1.809 673 HB3 GLU 87 2HB GLU 87 0.904 -14.591 -2.741 674 HG2 GLU 87 1HG GLU 87 1.289 -17.009 -2.647 675 HG3 GLU 87 2HG GLU 87 -0.212 -17.200 -1.742 676 H ASP 88 H ASP 88 3.405 -13.748 -0.828 677 HA ASP 88 HA ASP 88 4.954 -16.006 -1.836 678 HB2 ASP 88 1HB ASP 88 5.032 -13.763 -2.965 679 HB3 ASP 88 2HB ASP 88 5.820 -13.125 -1.526 680 H LYS 89 H LYS 89 5.895 -17.266 -0.387 681 HA LYS 89 HA LYS 89 6.569 -16.280 2.240 682 HB2 LYS 89 1HB LYS 89 6.678 -18.962 0.906 683 HB3 LYS 89 2HB LYS 89 7.544 -18.695 2.413 684 HG2 LYS 89 1HG LYS 89 5.525 -18.183 3.569 685 HG3 LYS 89 2HG LYS 89 4.604 -18.162 2.065 686 HD2 LYS 89 1HD LYS 89 4.867 -20.513 1.781 687 HD3 LYS 89 2HD LYS 89 6.050 -20.597 3.088 688 HE2 LYS 89 1HE LYS 89 3.722 -21.403 3.648 689 HE3 LYS 89 2HE LYS 89 4.407 -20.196 4.736 690 HZ1 LYS 89 3HZ LYS 89 2.012 -19.890 3.988 691 HZ2 LYS 89 1HZ LYS 89 2.644 -19.424 2.484 692 HZ3 LYS 89 2HZ LYS 89 3.032 -18.540 3.882 693 H ALA 90 H ALA 90 8.231 -14.909 2.221 694 HA ALA 90 HA ALA 90 10.558 -15.254 0.605 695 HB1 ALA 90 3HB ALA 90 10.109 -13.445 2.978 696 HB2 ALA 90 1HB ALA 90 9.791 -13.041 1.291 697 HB3 ALA 90 2HB ALA 90 11.444 -13.334 1.830 698 H GLU 91 H GLU 91 9.612 -16.264 3.790 699 HA GLU 91 HA GLU 91 12.322 -17.321 4.235 700 HB2 GLU 91 1HB GLU 91 10.152 -16.741 6.255 701 HB3 GLU 91 2HB GLU 91 11.691 -17.500 6.626 702 HG2 GLU 91 1HG GLU 91 12.802 -15.418 5.758 703 HG3 GLU 91 2HG GLU 91 11.198 -14.685 5.709 704 H ALA 92 H ALA 92 12.553 -19.450 4.946 705 HA ALA 92 HA ALA 92 10.151 -21.127 4.966 706 HB1 ALA 92 3HB ALA 92 12.671 -21.765 3.431 707 HB2 ALA 92 1HB ALA 92 11.098 -21.368 2.738 708 HB3 ALA 92 2HB ALA 92 11.307 -22.858 3.658 709 HA PRO 93 HA PRO 93 12.656 -21.965 8.687 710 HB2 PRO 93 1HB PRO 93 10.546 -22.695 10.235 711 HB3 PRO 93 2HB PRO 93 11.018 -21.012 9.984 712 HG2 PRO 93 1HG PRO 93 8.834 -22.582 8.682 713 HG3 PRO 93 2HG PRO 93 8.823 -20.901 9.246 714 HD2 PRO 93 1HD PRO 93 9.134 -21.599 6.632 715 HD3 PRO 93 2HD PRO 93 9.829 -20.125 7.333 716 H ASN 94 H ASN 94 13.541 -23.861 9.243 717 HA ASN 94 HA ASN 94 12.381 -26.293 8.084 718 HB2 ASN 94 1HB ASN 94 14.548 -27.315 8.346 719 HB3 ASN 94 2HB ASN 94 14.772 -25.738 7.602 720 HD21 ASN 94 2HD2 ASN 94 16.592 -27.456 9.149 721 HD22 ASN 94 1HD2 ASN 94 17.177 -26.456 10.445 722 H THR 95 H THR 95 12.220 -24.669 10.893 723 HA THR 95 HA THR 95 12.473 -26.899 12.720 724 HB THR 95 HB THR 95 11.355 -24.157 13.323 725 HG1 THR 95 HG1 THR 95 14.049 -25.057 13.069 726 HG21 THR 95 3HG2 THR 95 12.207 -24.609 15.572 727 HG22 THR 95 1HG2 THR 95 12.807 -26.180 15.039 728 HG23 THR 95 2HG2 THR 95 11.073 -25.861 15.070 729 H ILE 96 H ILE 96 10.098 -25.749 10.643 730 HA ILE 96 HA ILE 96 7.891 -26.556 12.374 731 HB ILE 96 HB ILE 96 7.559 -24.443 11.257 732 HG12 ILE 96 1HG1 ILE 96 5.829 -26.587 10.007 733 HG13 ILE 96 2HG1 ILE 96 5.595 -25.889 11.605 734 HG21 ILE 96 1HG2 ILE 96 9.021 -24.740 9.347 735 HG22 ILE 96 2HG2 ILE 96 7.408 -24.257 8.818 736 HG23 ILE 96 3HG2 ILE 96 7.918 -25.939 8.668 737 HD11 ILE 96 3HD1 ILE 96 5.169 -23.711 10.593 738 HD12 ILE 96 1HD1 ILE 96 4.054 -24.938 9.991 739 HD13 ILE 96 2HD1 ILE 96 5.407 -24.409 8.990 740 H ALA 97 H ALA 97 7.140 -28.538 12.298 741 HA ALA 97 HA ALA 97 7.703 -30.300 10.082 742 HB1 ALA 97 3HB ALA 97 7.664 -31.176 12.365 743 HB2 ALA 97 1HB ALA 97 6.438 -31.960 11.369 744 HB3 ALA 97 2HB ALA 97 5.970 -30.711 12.523 745 H SER 98 H SER 98 6.611 -30.056 8.258 746 HA SER 98 HA SER 98 4.224 -28.567 8.057 747 HB2 SER 98 1HB SER 98 4.264 -29.409 5.664 748 HB3 SER 98 2HB SER 98 5.718 -28.564 6.199 749 HG SER 98 HG SER 98 6.407 -30.404 5.191 750 H GLY 99 H GLY 99 4.874 -32.052 7.892 751 HA2 GLY 99 1HA GLY 99 3.234 -33.631 8.693 752 HA3 GLY 99 2HA GLY 99 1.975 -32.506 8.194 753 H SER 100 H SER 100 4.787 -34.072 6.701 754 HA SER 100 HA SER 100 3.019 -35.082 4.594 755 HB2 SER 100 1HB SER 100 5.039 -34.515 3.015 756 HB3 SER 100 2HB SER 100 3.884 -33.255 3.444 757 HG SER 100 HG SER 100 5.370 -32.663 5.148 Start of MODEL 9 1 H1 MET 1 1H MET 1 -17.247 31.409 5.422 2 H2 MET 1 2H MET 1 -15.621 31.291 5.898 3 H3 MET 1 3H MET 1 -16.434 29.926 5.306 4 HA MET 1 HA MET 1 -15.852 32.371 3.742 5 HB2 MET 1 1HB MET 1 -14.609 29.610 3.647 6 HB3 MET 1 2HB MET 1 -14.295 30.894 2.489 7 HG2 MET 1 1HG MET 1 -13.285 32.250 4.200 8 HG3 MET 1 2HG MET 1 -13.702 31.061 5.432 9 HE1 MET 1 3HE MET 1 -12.600 28.665 5.612 10 HE2 MET 1 1HE MET 1 -11.416 28.037 4.465 11 HE3 MET 1 2HE MET 1 -13.080 28.309 3.952 12 H GLU 2 H GLU 2 -16.003 31.666 1.315 13 HA GLU 2 HA GLU 2 -18.635 30.619 0.863 14 HB2 GLU 2 1HB GLU 2 -16.409 31.289 -1.074 15 HB3 GLU 2 2HB GLU 2 -18.054 30.873 -1.540 16 HG2 GLU 2 1HG GLU 2 -18.898 32.823 -0.365 17 HG3 GLU 2 2HG GLU 2 -17.264 33.232 0.153 18 H VAL 3 H VAL 3 -15.355 29.407 0.545 19 HA VAL 3 HA VAL 3 -16.346 26.776 -0.256 20 HB VAL 3 HB VAL 3 -13.483 27.661 0.168 21 HG11 VAL 3 1HG1 VAL 3 -14.619 25.238 -1.220 22 HG12 VAL 3 2HG1 VAL 3 -13.799 25.252 0.341 23 HG13 VAL 3 3HG1 VAL 3 -12.911 25.666 -1.126 24 HG21 VAL 3 3HG2 VAL 3 -13.343 27.779 -2.287 25 HG22 VAL 3 1HG2 VAL 3 -14.470 28.962 -1.622 26 HG23 VAL 3 2HG2 VAL 3 -15.082 27.493 -2.386 27 H GLN 4 H GLN 4 -16.374 25.045 1.118 28 HA GLN 4 HA GLN 4 -15.983 25.667 3.931 29 HB2 GLN 4 1HB GLN 4 -17.153 23.194 2.647 30 HB3 GLN 4 2HB GLN 4 -17.155 23.561 4.367 31 HG2 GLN 4 1HG GLN 4 -18.638 24.986 2.178 32 HG3 GLN 4 2HG GLN 4 -19.311 24.064 3.520 33 HE21 GLN 4 2HE2 GLN 4 -19.834 26.798 2.723 34 HE22 GLN 4 1HE2 GLN 4 -19.435 27.794 4.088 35 H SER 5 H SER 5 -14.592 24.637 5.289 36 HA SER 5 HA SER 5 -12.396 23.227 3.959 37 HB2 SER 5 1HB SER 5 -11.209 23.702 6.174 38 HB3 SER 5 2HB SER 5 -11.604 25.102 5.178 39 HG SER 5 HG SER 5 -13.622 24.442 6.903 40 H MET 6 H MET 6 -12.833 21.105 3.871 41 HA MET 6 HA MET 6 -13.760 19.765 6.320 42 HB2 MET 6 1HB MET 6 -13.805 18.813 3.449 43 HB3 MET 6 2HB MET 6 -14.309 17.849 4.829 44 HG2 MET 6 1HG MET 6 -16.056 19.506 5.318 45 HG3 MET 6 2HG MET 6 -15.573 20.408 3.883 46 HE1 MET 6 3HE MET 6 -17.162 17.108 5.268 47 HE2 MET 6 1HE MET 6 -15.774 16.492 4.376 48 HE3 MET 6 2HE MET 6 -17.407 16.171 3.794 49 H LEU 7 H LEU 7 -12.781 17.672 6.826 50 HA LEU 7 HA LEU 7 -9.942 17.597 6.019 51 HB2 LEU 7 1HB LEU 7 -11.172 16.814 8.665 52 HB3 LEU 7 2HB LEU 7 -9.481 16.624 8.245 53 HG LEU 7 HG LEU 7 -10.935 19.261 8.476 54 HD11 LEU 7 1HD1 LEU 7 -10.635 18.181 10.636 55 HD12 LEU 7 2HD1 LEU 7 -9.573 19.580 10.480 56 HD13 LEU 7 3HD1 LEU 7 -8.919 17.951 10.294 57 HD21 LEU 7 3HD2 LEU 7 -9.114 19.297 6.828 58 HD22 LEU 7 1HD2 LEU 7 -8.006 18.674 8.050 59 HD23 LEU 7 2HD2 LEU 7 -8.735 20.268 8.251 60 H LEU 8 H LEU 8 -8.967 15.535 5.814 61 HA LEU 8 HA LEU 8 -10.841 13.433 5.085 62 HB2 LEU 8 1HB LEU 8 -7.823 13.482 4.901 63 HB3 LEU 8 2HB LEU 8 -8.877 12.261 4.212 64 HG LEU 8 HG LEU 8 -8.690 15.154 3.372 65 HD11 LEU 8 1HD1 LEU 8 -7.902 14.218 1.257 66 HD12 LEU 8 2HD1 LEU 8 -7.983 12.596 1.946 67 HD13 LEU 8 3HD1 LEU 8 -6.842 13.773 2.598 68 HD21 LEU 8 3HD2 LEU 8 -11.000 14.378 3.245 69 HD22 LEU 8 1HD2 LEU 8 -10.482 12.963 2.327 70 HD23 LEU 8 2HD2 LEU 8 -10.310 14.577 1.635 71 H ASN 9 H ASN 9 -11.328 11.784 6.381 72 HA ASN 9 HA ASN 9 -10.075 11.777 9.016 73 HB2 ASN 9 1HB ASN 9 -12.048 10.525 9.749 74 HB3 ASN 9 2HB ASN 9 -12.525 11.992 8.900 75 HD21 ASN 9 2HD2 ASN 9 -12.558 8.545 8.894 76 HD22 ASN 9 1HD2 ASN 9 -13.573 8.350 7.511 77 H ASP 10 H ASP 10 -9.976 9.580 10.106 78 HA ASP 10 HA ASP 10 -8.216 7.923 8.579 79 HB2 ASP 10 1HB ASP 10 -9.430 7.504 11.322 80 HB3 ASP 10 2HB ASP 10 -8.185 6.484 10.612 81 H VAL 11 H VAL 11 -9.247 6.930 6.899 82 HA VAL 11 HA VAL 11 -11.695 5.489 7.352 83 HB VAL 11 HB VAL 11 -11.403 4.838 4.935 84 HG11 VAL 11 1HG1 VAL 11 -11.438 7.778 5.585 85 HG12 VAL 11 2HG1 VAL 11 -12.828 6.692 5.597 86 HG13 VAL 11 3HG1 VAL 11 -12.006 7.057 4.079 87 HG21 VAL 11 3HG2 VAL 11 -8.987 5.074 4.763 88 HG22 VAL 11 1HG2 VAL 11 -9.126 6.805 5.069 89 HG23 VAL 11 2HG2 VAL 11 -9.800 6.113 3.593 90 H LYS 12 H LYS 12 -11.620 3.591 8.298 91 HA LYS 12 HA LYS 12 -9.165 2.077 8.323 92 HB2 LYS 12 1HB LYS 12 -11.832 1.319 9.543 93 HB3 LYS 12 2HB LYS 12 -10.274 0.588 9.892 94 HG2 LYS 12 1HG LYS 12 -10.423 1.947 11.695 95 HG3 LYS 12 2HG LYS 12 -9.696 3.098 10.572 96 HD2 LYS 12 1HD LYS 12 -11.910 3.975 10.032 97 HD3 LYS 12 2HD LYS 12 -12.648 2.810 11.131 98 HE2 LYS 12 1HE LYS 12 -10.756 5.039 11.871 99 HE3 LYS 12 2HE LYS 12 -12.488 4.985 12.192 100 HZ1 LYS 12 3HZ LYS 12 -11.797 2.773 13.414 101 HZ2 LYS 12 1HZ LYS 12 -11.677 4.282 14.184 102 HZ3 LYS 12 2HZ LYS 12 -10.299 3.562 13.517 103 H TRP 13 H TRP 13 -9.020 -0.137 7.636 104 HA TRP 13 HA TRP 13 -10.436 -0.540 5.152 105 HB2 TRP 13 1HB TRP 13 -7.971 -1.487 6.320 106 HB3 TRP 13 2HB TRP 13 -8.922 -2.838 5.711 107 HD1 TRP 13 HD1 TRP 13 -10.079 -1.889 3.079 108 HE1 TRP 13 HE1 TRP 13 -8.613 -1.176 1.089 109 HE3 TRP 13 HE3 TRP 13 -5.761 -0.834 5.601 110 HZ2 TRP 13 HZ2 TRP 13 -5.963 -0.300 0.645 111 HZ3 TRP 13 HZ3 TRP 13 -3.804 -0.074 4.320 112 HH2 TRP 13 HH2 TRP 13 -3.903 0.188 1.894 113 H GLU 14 H GLU 14 -11.957 -2.047 4.716 114 HA GLU 14 HA GLU 14 -13.421 -3.244 6.839 115 HB2 GLU 14 1HB GLU 14 -13.481 -3.990 3.907 116 HB3 GLU 14 2HB GLU 14 -14.727 -4.324 5.101 117 HG2 GLU 14 1HG GLU 14 -13.914 -1.621 4.053 118 HG3 GLU 14 2HG GLU 14 -15.403 -2.492 3.696 119 H LYS 15 H LYS 15 -10.870 -4.245 4.719 120 HA LYS 15 HA LYS 15 -10.538 -6.688 6.297 121 HB2 LYS 15 1HB LYS 15 -10.227 -6.485 3.292 122 HB3 LYS 15 2HB LYS 15 -9.877 -7.908 4.265 123 HG2 LYS 15 1HG LYS 15 -12.200 -8.136 4.854 124 HG3 LYS 15 2HG LYS 15 -12.593 -6.632 4.019 125 HD2 LYS 15 1HD LYS 15 -11.816 -7.651 1.906 126 HD3 LYS 15 2HD LYS 15 -11.546 -9.167 2.772 127 HE2 LYS 15 1HE LYS 15 -13.905 -9.286 3.337 128 HE3 LYS 15 2HE LYS 15 -14.191 -7.737 2.542 129 HZ1 LYS 15 3HZ LYS 15 -13.451 -8.759 0.452 130 HZ2 LYS 15 1HZ LYS 15 -14.825 -9.519 1.093 131 HZ3 LYS 15 2HZ LYS 15 -13.304 -10.253 1.243 132 HA PRO 16 HA PRO 16 -6.682 -4.463 6.982 133 HB2 PRO 16 1HB PRO 16 -6.095 -7.161 8.121 134 HB3 PRO 16 2HB PRO 16 -5.813 -5.559 8.816 135 HG2 PRO 16 1HG PRO 16 -7.846 -7.037 9.659 136 HG3 PRO 16 2HG PRO 16 -8.038 -5.289 9.429 137 HD2 PRO 16 1HD PRO 16 -9.001 -7.542 7.728 138 HD3 PRO 16 2HD PRO 16 -9.769 -5.980 8.076 139 H VAL 17 H VAL 17 -4.613 -4.531 6.123 140 HA VAL 17 HA VAL 17 -4.196 -6.584 4.048 141 HB VAL 17 HB VAL 17 -3.093 -3.770 4.071 142 HG11 VAL 17 1HG1 VAL 17 -3.107 -5.892 1.927 143 HG12 VAL 17 2HG1 VAL 17 -1.704 -5.325 2.833 144 HG13 VAL 17 3HG1 VAL 17 -2.536 -4.236 1.723 145 HG21 VAL 17 3HG2 VAL 17 -5.482 -3.661 3.816 146 HG22 VAL 17 1HG2 VAL 17 -5.440 -4.917 2.580 147 HG23 VAL 17 2HG2 VAL 17 -4.719 -3.340 2.257 148 H THR 18 H THR 18 -2.440 -7.829 4.220 149 HA THR 18 HA THR 18 -0.392 -7.122 6.186 150 HB THR 18 HB THR 18 0.370 -9.554 5.577 151 HG1 THR 18 HG1 THR 18 -1.176 -10.811 4.658 152 HG21 THR 18 3HG2 THR 18 -1.160 -10.477 7.247 153 HG22 THR 18 1HG2 THR 18 -2.184 -9.048 7.105 154 HG23 THR 18 2HG2 THR 18 -0.548 -8.900 7.750 155 H ILE 19 H ILE 19 1.016 -5.734 5.173 156 HA ILE 19 HA ILE 19 1.751 -6.272 2.407 157 HB ILE 19 HB ILE 19 1.272 -3.958 2.925 158 HG12 ILE 19 1HG1 ILE 19 4.225 -4.422 2.480 159 HG13 ILE 19 2HG1 ILE 19 2.979 -4.320 1.241 160 HG21 ILE 19 1HG2 ILE 19 2.730 -2.650 4.456 161 HG22 ILE 19 2HG2 ILE 19 3.442 -4.170 5.002 162 HG23 ILE 19 3HG2 ILE 19 1.728 -3.854 5.272 163 HD11 ILE 19 3HD1 ILE 19 2.601 -1.990 1.796 164 HD12 ILE 19 1HD1 ILE 19 4.291 -2.275 1.388 165 HD13 ILE 19 2HD1 ILE 19 3.812 -2.086 3.074 166 H SER 20 H SER 20 3.225 -7.753 2.118 167 HA SER 20 HA SER 20 5.151 -8.387 4.144 168 HB2 SER 20 1HB SER 20 3.981 -10.062 2.630 169 HB3 SER 20 2HB SER 20 5.027 -9.487 1.331 170 HG SER 20 HG SER 20 5.820 -11.361 2.450 171 H LEU 21 H LEU 21 6.847 -7.105 4.407 172 HA LEU 21 HA LEU 21 8.037 -5.735 2.144 173 HB2 LEU 21 1HB LEU 21 8.856 -5.774 5.052 174 HB3 LEU 21 2HB LEU 21 9.503 -4.710 3.819 175 HG LEU 21 HG LEU 21 6.652 -4.710 4.816 176 HD11 LEU 21 1HD1 LEU 21 8.895 -2.744 5.250 177 HD12 LEU 21 2HD1 LEU 21 8.222 -3.836 6.461 178 HD13 LEU 21 3HD1 LEU 21 7.225 -2.545 5.787 179 HD21 LEU 21 3HD2 LEU 21 6.394 -2.699 3.459 180 HD22 LEU 21 1HD2 LEU 21 6.813 -4.089 2.459 181 HD23 LEU 21 2HD2 LEU 21 8.040 -2.886 2.855 182 H GLN 22 H GLN 22 10.293 -5.961 1.607 183 HA GLN 22 HA GLN 22 11.101 -8.625 1.288 184 HB2 GLN 22 1HB GLN 22 11.801 -6.749 -0.183 185 HB3 GLN 22 2HB GLN 22 12.826 -6.146 1.111 186 HG2 GLN 22 1HG GLN 22 14.102 -7.375 -0.561 187 HG3 GLN 22 2HG GLN 22 14.174 -8.161 1.017 188 HE21 GLN 22 2HE2 GLN 22 13.085 -10.110 1.327 189 HE22 GLN 22 1HE2 GLN 22 12.542 -11.084 0.000 190 H ASN 23 H ASN 23 11.435 -6.513 3.923 191 HA ASN 23 HA ASN 23 13.744 -7.515 5.176 192 HB2 ASN 23 1HB ASN 23 11.249 -6.412 6.492 193 HB3 ASN 23 2HB ASN 23 12.862 -6.490 7.198 194 HD21 ASN 23 2HD2 ASN 23 14.437 -5.032 6.524 195 HD22 ASN 23 1HD2 ASN 23 14.041 -3.611 5.611 196 H GLY 24 H GLY 24 10.592 -8.835 4.749 197 HA2 GLY 24 1HA GLY 24 10.321 -11.207 4.941 198 HA3 GLY 24 2HA GLY 24 11.463 -11.192 6.274 199 H ALA 25 H ALA 25 8.779 -8.929 5.978 200 HA ALA 25 HA ALA 25 7.116 -10.439 7.791 201 HB1 ALA 25 3HB ALA 25 8.732 -9.416 9.333 202 HB2 ALA 25 1HB ALA 25 7.101 -8.794 9.581 203 HB3 ALA 25 2HB ALA 25 8.295 -7.821 8.723 204 HA PRO 26 HA PRO 26 4.250 -7.742 5.603 205 HB2 PRO 26 1HB PRO 26 2.136 -9.505 6.379 206 HB3 PRO 26 2HB PRO 26 2.884 -9.344 4.791 207 HG2 PRO 26 1HG PRO 26 3.078 -11.571 6.402 208 HG3 PRO 26 2HG PRO 26 4.208 -11.159 5.102 209 HD2 PRO 26 1HD PRO 26 4.482 -10.742 8.058 210 HD3 PRO 26 2HD PRO 26 5.713 -11.221 6.865 211 H ARG 27 H ARG 27 3.808 -5.939 6.736 212 HA ARG 27 HA ARG 27 2.786 -6.108 9.434 213 HB2 ARG 27 1HB ARG 27 4.369 -4.306 8.886 214 HB3 ARG 27 2HB ARG 27 3.235 -3.668 7.698 215 HG2 ARG 27 1HG ARG 27 1.602 -3.278 9.477 216 HG3 ARG 27 2HG ARG 27 2.753 -3.889 10.661 217 HD2 ARG 27 1HD ARG 27 4.253 -2.050 10.204 218 HD3 ARG 27 2HD ARG 27 3.197 -1.476 8.908 219 HE ARG 27 HE ARG 27 1.798 -1.710 11.373 220 HH11 ARG 27 1HH1 ARG 27 4.134 0.361 9.778 221 HH12 ARG 27 2HH1 ARG 27 3.522 1.810 10.517 222 HH21 ARG 27 1HH2 ARG 27 0.994 0.164 12.331 223 HH22 ARG 27 2HH2 ARG 27 1.716 1.706 11.962 224 H ILE 28 H ILE 28 0.751 -5.618 10.095 225 HA ILE 28 HA ILE 28 -1.293 -5.779 8.010 226 HB ILE 28 HB ILE 28 -1.692 -5.988 10.993 227 HG12 ILE 28 1HG1 ILE 28 -1.188 -8.236 9.028 228 HG13 ILE 28 2HG1 ILE 28 -0.013 -7.646 10.197 229 HG21 ILE 28 1HG2 ILE 28 -3.698 -5.585 9.651 230 HG22 ILE 28 2HG2 ILE 28 -3.718 -7.198 10.365 231 HG23 ILE 28 3HG2 ILE 28 -3.319 -6.993 8.658 232 HD11 ILE 28 3HD1 ILE 28 -1.066 -9.675 10.983 233 HD12 ILE 28 1HD1 ILE 28 -2.658 -8.934 10.830 234 HD13 ILE 28 2HD1 ILE 28 -1.509 -8.317 12.016 235 H PHE 29 H PHE 29 -2.027 -3.862 7.309 236 HA PHE 29 HA PHE 29 -2.038 -1.540 9.035 237 HB2 PHE 29 1HB PHE 29 -2.995 -1.937 6.194 238 HB3 PHE 29 2HB PHE 29 -3.073 -0.401 7.048 239 HD1 PHE 29 HD1 PHE 29 -0.543 -0.201 8.401 240 HD2 PHE 29 HD2 PHE 29 -1.415 -1.768 4.543 241 HE1 PHE 29 HE1 PHE 29 1.745 0.327 7.676 242 HE2 PHE 29 HE2 PHE 29 0.874 -1.243 3.809 243 HZ PHE 29 HZ PHE 29 2.461 -0.197 5.381 244 H ASN 30 H ASN 30 -3.811 -0.485 9.845 245 HA ASN 30 HA ASN 30 -6.241 -2.114 10.039 246 HB2 ASN 30 1HB ASN 30 -5.433 0.360 11.593 247 HB3 ASN 30 2HB ASN 30 -6.811 -0.681 11.939 248 HD21 ASN 30 2HD2 ASN 30 -3.349 -0.370 12.037 249 HD22 ASN 30 1HD2 ASN 30 -3.055 -1.733 13.080 250 H GLY 31 H GLY 31 -5.021 0.891 8.821 251 HA2 GLY 31 1HA GLY 31 -7.570 1.331 7.461 252 HA3 GLY 31 2HA GLY 31 -6.947 2.632 8.471 253 H VAL 32 H VAL 32 -7.402 2.985 5.770 254 HA VAL 32 HA VAL 32 -5.091 2.529 4.179 255 HB VAL 32 HB VAL 32 -7.115 4.714 3.704 256 HG11 VAL 32 1HG1 VAL 32 -5.212 4.738 2.219 257 HG12 VAL 32 2HG1 VAL 32 -6.639 4.194 1.339 258 HG13 VAL 32 3HG1 VAL 32 -5.429 3.024 1.864 259 HG21 VAL 32 3HG2 VAL 32 -8.367 2.691 4.195 260 HG22 VAL 32 1HG2 VAL 32 -7.386 1.781 3.046 261 HG23 VAL 32 2HG2 VAL 32 -8.459 3.058 2.471 262 H TYR 33 H TYR 33 -5.949 4.857 6.523 263 HA TYR 33 HA TYR 33 -4.350 7.040 5.819 264 HB2 TYR 33 1HB TYR 33 -6.108 6.943 7.630 265 HB3 TYR 33 2HB TYR 33 -4.945 6.078 8.624 266 HD1 TYR 33 HD2 TYR 33 -2.969 7.249 9.526 267 HD2 TYR 33 HD1 TYR 33 -5.922 9.308 7.255 268 HE1 TYR 33 HE2 TYR 33 -2.104 9.397 10.355 269 HE2 TYR 33 HE1 TYR 33 -5.064 11.460 8.082 270 HH TYR 33 HH TYR 33 -3.795 12.263 10.134 271 H GLU 34 H GLU 34 -3.636 4.142 7.733 272 HA GLU 34 HA GLU 34 -0.981 4.859 8.414 273 HB2 GLU 34 1HB GLU 34 -2.191 2.099 8.170 274 HB3 GLU 34 2HB GLU 34 -0.693 2.494 8.997 275 HG2 GLU 34 1HG GLU 34 -2.004 3.913 10.559 276 HG3 GLU 34 2HG GLU 34 -3.473 3.327 9.777 277 H ALA 35 H ALA 35 -2.395 2.969 5.804 278 HA ALA 35 HA ALA 35 -0.034 2.028 4.640 279 HB1 ALA 35 3HB ALA 35 -2.294 1.176 4.124 280 HB2 ALA 35 1HB ALA 35 -1.369 1.578 2.676 281 HB3 ALA 35 2HB ALA 35 -2.630 2.671 3.247 282 H PHE 36 H PHE 36 -1.999 4.879 3.830 283 HA PHE 36 HA PHE 36 -0.456 5.928 1.780 284 HB2 PHE 36 1HB PHE 36 -2.670 6.791 2.408 285 HB3 PHE 36 2HB PHE 36 -2.007 7.425 3.905 286 HD1 PHE 36 HD2 PHE 36 -1.521 7.658 0.215 287 HD2 PHE 36 HD1 PHE 36 -1.346 9.628 3.985 288 HE1 PHE 36 HE2 PHE 36 -1.009 9.783 -0.920 289 HE2 PHE 36 HE1 PHE 36 -0.836 11.753 2.857 290 HZ PHE 36 HZ PHE 36 -0.668 11.835 0.400 291 H ASP 37 H ASP 37 -0.194 6.478 5.266 292 HA ASP 37 HA ASP 37 1.908 8.356 5.111 293 HB2 ASP 37 1HB ASP 37 0.493 8.231 7.073 294 HB3 ASP 37 2HB ASP 37 1.012 6.577 7.382 295 H PHE 38 H PHE 38 1.896 4.843 5.709 296 HA PHE 38 HA PHE 38 4.643 4.575 6.200 297 HB2 PHE 38 1HB PHE 38 3.125 2.772 6.738 298 HB3 PHE 38 2HB PHE 38 2.682 2.587 5.044 299 HD1 PHE 38 HD2 PHE 38 5.708 2.525 7.222 300 HD2 PHE 38 HD1 PHE 38 3.706 0.923 3.823 301 HE1 PHE 38 HE2 PHE 38 7.530 0.896 6.917 302 HE2 PHE 38 HE1 PHE 38 5.521 -0.703 3.512 303 HZ PHE 38 HZ PHE 38 7.437 -0.718 5.059 304 H LEU 39 H LEU 39 2.819 4.527 3.187 305 HA LEU 39 HA LEU 39 4.877 3.678 1.477 306 HB2 LEU 39 1HB LEU 39 2.515 5.466 0.931 307 HB3 LEU 39 2HB LEU 39 3.544 4.780 -0.311 308 HG LEU 39 HG LEU 39 1.870 3.177 1.621 309 HD11 LEU 39 1HD1 LEU 39 0.488 4.432 0.059 310 HD12 LEU 39 2HD1 LEU 39 0.460 2.710 -0.319 311 HD13 LEU 39 3HD1 LEU 39 1.435 3.811 -1.293 312 HD21 LEU 39 3HD2 LEU 39 3.453 2.341 -0.806 313 HD22 LEU 39 1HD2 LEU 39 2.427 1.292 0.172 314 HD23 LEU 39 2HD2 LEU 39 3.881 2.005 0.872 315 H GLN 40 H GLN 40 4.289 6.719 2.989 316 HA GLN 40 HA GLN 40 6.097 8.151 1.216 317 HB2 GLN 40 1HB GLN 40 4.625 9.051 3.699 318 HB3 GLN 40 2HB GLN 40 5.602 10.094 2.678 319 HG2 GLN 40 1HG GLN 40 4.091 9.734 0.819 320 HG3 GLN 40 2HG GLN 40 3.132 8.621 1.795 321 HE21 GLN 40 2HE2 GLN 40 2.380 11.137 0.492 322 HE22 GLN 40 1HE2 GLN 40 1.761 12.149 1.748 323 H HIS 41 H HIS 41 6.138 6.543 4.282 324 HA HIS 41 HA HIS 41 8.411 7.935 5.327 325 HB2 HIS 41 1HB HIS 41 6.937 5.454 6.171 326 HB3 HIS 41 2HB HIS 41 8.444 5.924 6.949 327 HD1 HIS 41 HD1 HIS 41 7.407 6.484 9.198 328 HD2 HIS 41 HD2 HIS 41 5.726 8.588 6.031 329 HE1 HIS 41 HE1 HIS 41 5.929 8.229 10.245 330 HE2 HIS 41 HE2 HIS 41 4.726 9.289 8.302 331 H GLU 42 H GLU 42 8.055 4.515 4.299 332 HA GLU 42 HA GLU 42 10.545 4.644 2.899 333 HB2 GLU 42 1HB GLU 42 11.648 2.851 4.281 334 HB3 GLU 42 2HB GLU 42 11.567 4.447 5.013 335 HG2 GLU 42 1HG GLU 42 9.692 3.741 6.388 336 HG3 GLU 42 2HG GLU 42 9.720 2.150 5.626 337 H TRP 43 H TRP 43 8.926 4.005 1.339 338 HA TRP 43 HA TRP 43 8.135 1.220 1.364 339 HB2 TRP 43 1HB TRP 43 6.612 2.737 0.313 340 HB3 TRP 43 2HB TRP 43 7.888 3.446 -0.666 341 HD1 TRP 43 HD1 TRP 43 8.224 2.489 -3.011 342 HE1 TRP 43 HE1 TRP 43 7.230 0.533 -4.348 343 HE3 TRP 43 HE3 TRP 43 5.654 0.124 0.757 344 HZ2 TRP 43 HZ2 TRP 43 5.584 -1.700 -3.887 345 HZ3 TRP 43 HZ3 TRP 43 4.404 -1.912 0.199 346 HH2 TRP 43 HH2 TRP 43 4.368 -2.806 -2.067 347 HA PRO 44 HA PRO 44 12.269 0.397 -0.113 348 HB2 PRO 44 1HB PRO 44 12.429 -2.126 0.729 349 HB3 PRO 44 2HB PRO 44 12.360 -0.784 1.876 350 HG2 PRO 44 1HG PRO 44 10.221 -2.694 1.062 351 HG3 PRO 44 2HG PRO 44 10.551 -1.987 2.652 352 HD2 PRO 44 1HD PRO 44 8.628 -1.097 0.820 353 HD3 PRO 44 2HD PRO 44 9.225 -0.197 2.227 354 H ALA 45 H ALA 45 9.989 0.143 -2.026 355 HA ALA 45 HA ALA 45 11.186 -1.973 -3.677 356 HB1 ALA 45 3HB ALA 45 9.001 -2.532 -4.589 357 HB2 ALA 45 1HB ALA 45 8.241 -1.344 -3.531 358 HB3 ALA 45 2HB ALA 45 9.026 -2.764 -2.840 359 H ARG 46 H ARG 46 12.157 -1.027 -5.324 360 HA ARG 46 HA ARG 46 11.422 1.602 -6.208 361 HB2 ARG 46 1HB ARG 46 13.768 0.901 -6.168 362 HB3 ARG 46 2HB ARG 46 13.420 -0.369 -7.333 363 HG2 ARG 46 1HG ARG 46 12.996 1.196 -9.052 364 HG3 ARG 46 2HG ARG 46 12.976 2.543 -7.913 365 HD2 ARG 46 1HD ARG 46 15.356 2.151 -7.437 366 HD3 ARG 46 2HD ARG 46 15.367 0.846 -8.624 367 HE ARG 46 HE ARG 46 15.540 2.412 -10.267 368 HH11 ARG 46 1HH1 ARG 46 14.372 3.989 -7.363 369 HH12 ARG 46 2HH1 ARG 46 14.378 5.575 -8.068 370 HH21 ARG 46 1HH2 ARG 46 15.599 4.501 -11.184 371 HH22 ARG 46 2HH2 ARG 46 15.111 5.876 -10.226 372 H GLY 47 H GLY 47 10.180 2.149 -7.895 373 HA2 GLY 47 1HA GLY 47 9.606 0.492 -10.112 374 HA3 GLY 47 2HA GLY 47 8.319 0.349 -8.923 375 H ASP 48 H ASP 48 8.642 3.097 -8.008 376 HA ASP 48 HA ASP 48 8.105 5.246 -8.448 377 HB2 ASP 48 1HB ASP 48 8.722 4.400 -11.264 378 HB3 ASP 48 2HB ASP 48 8.079 6.000 -10.911 379 H ARG 49 H ARG 49 6.608 3.584 -11.240 380 HA ARG 49 HA ARG 49 4.359 5.305 -11.112 381 HB2 ARG 49 1HB ARG 49 4.562 2.683 -12.592 382 HB3 ARG 49 2HB ARG 49 3.436 3.994 -12.922 383 HG2 ARG 49 1HG ARG 49 5.464 5.437 -13.371 384 HG3 ARG 49 2HG ARG 49 6.406 3.945 -13.348 385 HD2 ARG 49 1HD ARG 49 5.920 4.295 -15.609 386 HD3 ARG 49 2HD ARG 49 4.750 3.084 -15.091 387 HE ARG 49 HE ARG 49 3.259 5.198 -14.778 388 HH11 ARG 49 1HH1 ARG 49 5.597 4.641 -17.331 389 HH12 ARG 49 2HH1 ARG 49 4.748 5.615 -18.498 390 HH21 ARG 49 1HH2 ARG 49 2.149 6.483 -16.294 391 HH22 ARG 49 2HH2 ARG 49 2.779 6.662 -17.905 392 H ALA 50 H ALA 50 4.780 1.889 -10.180 393 HA ALA 50 HA ALA 50 2.126 1.493 -9.315 394 HB1 ALA 50 3HB ALA 50 2.977 -0.434 -8.095 395 HB2 ALA 50 1HB ALA 50 4.628 0.142 -8.308 396 HB3 ALA 50 2HB ALA 50 3.681 -0.357 -9.710 397 H HIS 51 H HIS 51 4.979 2.750 -7.683 398 HA HIS 51 HA HIS 51 3.804 2.972 -5.104 399 HB2 HIS 51 1HB HIS 51 6.230 2.988 -5.395 400 HB3 HIS 51 2HB HIS 51 6.133 4.470 -6.337 401 HD1 HIS 51 HD1 HIS 51 6.717 6.481 -5.044 402 HD2 HIS 51 HD2 HIS 51 5.126 3.498 -2.615 403 HE1 HIS 51 HE1 HIS 51 6.789 7.400 -2.701 404 HE2 HIS 51 HE2 HIS 51 5.995 5.512 -1.234 405 H GLU 52 H GLU 52 4.105 5.135 -7.866 406 HA GLU 52 HA GLU 52 2.994 7.451 -6.740 407 HB2 GLU 52 1HB GLU 52 4.166 7.105 -9.015 408 HB3 GLU 52 2HB GLU 52 2.588 6.605 -9.603 409 HG2 GLU 52 1HG GLU 52 2.844 8.881 -10.162 410 HG3 GLU 52 2HG GLU 52 1.702 8.814 -8.820 411 H GLN 53 H GLN 53 1.522 4.739 -8.471 412 HA GLN 53 HA GLN 53 -1.144 5.618 -8.389 413 HB2 GLN 53 1HB GLN 53 -0.422 3.779 -9.828 414 HB3 GLN 53 2HB GLN 53 -0.036 2.798 -8.421 415 HG2 GLN 53 1HG GLN 53 -2.425 2.849 -7.783 416 HG3 GLN 53 2HG GLN 53 -2.772 3.731 -9.267 417 HE21 GLN 53 2HE2 GLN 53 -0.800 2.222 -10.811 418 HE22 GLN 53 1HE2 GLN 53 -1.500 0.667 -11.084 419 H ALA 54 H ALA 54 0.719 3.581 -6.171 420 HA ALA 54 HA ALA 54 -1.295 2.853 -4.410 421 HB1 ALA 54 3HB ALA 54 1.586 3.416 -3.714 422 HB2 ALA 54 1HB ALA 54 0.977 1.911 -4.402 423 HB3 ALA 54 2HB ALA 54 0.458 2.418 -2.795 424 H LEU 55 H LEU 55 0.783 5.748 -4.309 425 HA LEU 55 HA LEU 55 -0.273 6.805 -1.923 426 HB2 LEU 55 1HB LEU 55 1.275 7.912 -4.207 427 HB3 LEU 55 2HB LEU 55 0.471 9.053 -3.149 428 HG LEU 55 HG LEU 55 1.700 8.173 -1.227 429 HD11 LEU 55 1HD1 LEU 55 1.943 5.860 -1.971 430 HD12 LEU 55 2HD1 LEU 55 3.496 6.563 -1.515 431 HD13 LEU 55 3HD1 LEU 55 3.076 6.381 -3.217 432 HD21 LEU 55 3HD2 LEU 55 3.926 8.960 -1.850 433 HD22 LEU 55 1HD2 LEU 55 2.666 10.010 -2.501 434 HD23 LEU 55 2HD2 LEU 55 3.487 8.858 -3.555 435 H ARG 56 H ARG 56 -1.179 7.327 -5.305 436 HA ARG 56 HA ARG 56 -3.183 9.240 -4.847 437 HB2 ARG 56 1HB ARG 56 -2.467 9.031 -7.070 438 HB3 ARG 56 2HB ARG 56 -2.650 7.285 -7.063 439 HG2 ARG 56 1HG ARG 56 -5.025 7.455 -7.170 440 HG3 ARG 56 2HG ARG 56 -4.963 9.199 -6.918 441 HD2 ARG 56 1HD ARG 56 -5.339 8.363 -9.299 442 HD3 ARG 56 2HD ARG 56 -4.100 9.591 -9.055 443 HE ARG 56 HE ARG 56 -2.435 7.948 -9.413 444 HH11 ARG 56 1HH1 ARG 56 -5.682 6.698 -9.882 445 HH12 ARG 56 2HH1 ARG 56 -5.148 5.347 -10.840 446 HH21 ARG 56 1HH2 ARG 56 -1.745 6.222 -10.677 447 HH22 ARG 56 2HH2 ARG 56 -2.901 5.089 -11.325 448 H LEU 57 H LEU 57 -3.352 5.709 -5.090 449 HA LEU 57 HA LEU 57 -6.112 5.387 -4.806 450 HB2 LEU 57 1HB LEU 57 -3.892 3.592 -3.821 451 HB3 LEU 57 2HB LEU 57 -5.570 3.119 -3.986 452 HG LEU 57 HG LEU 57 -3.850 4.001 -6.300 453 HD11 LEU 57 1HD1 LEU 57 -4.527 1.219 -5.357 454 HD12 LEU 57 2HD1 LEU 57 -2.935 1.979 -5.305 455 HD13 LEU 57 3HD1 LEU 57 -3.693 1.625 -6.857 456 HD21 LEU 57 3HD2 LEU 57 -5.610 2.983 -7.651 457 HD22 LEU 57 1HD2 LEU 57 -6.264 4.264 -6.629 458 HD23 LEU 57 2HD2 LEU 57 -6.508 2.575 -6.188 459 H CYS 58 H CYS 58 -3.572 5.433 -2.334 460 HA CYS 58 HA CYS 58 -5.303 4.935 -0.166 461 HB2 CYS 58 1HB CYS 58 -2.577 6.237 -0.187 462 HB3 CYS 58 2HB CYS 58 -3.404 5.615 1.237 463 HG CYS 58 HG CYS 58 -2.055 3.853 -1.345 464 H ARG 59 H ARG 59 -4.078 7.949 -1.590 465 HA ARG 59 HA ARG 59 -5.187 9.638 0.406 466 HB2 ARG 59 1HB ARG 59 -3.382 10.258 -1.281 467 HB3 ARG 59 2HB ARG 59 -4.680 10.438 -2.457 468 HG2 ARG 59 1HG ARG 59 -5.736 12.097 -0.934 469 HG3 ARG 59 2HG ARG 59 -4.305 11.997 0.091 470 HD2 ARG 59 1HD ARG 59 -2.958 12.612 -1.960 471 HD3 ARG 59 2HD ARG 59 -4.493 12.984 -2.745 472 HE ARG 59 HE ARG 59 -3.231 14.453 -0.549 473 HH11 ARG 59 1HH1 ARG 59 -5.983 14.090 -2.699 474 HH12 ARG 59 2HH1 ARG 59 -6.562 15.709 -2.442 475 HH21 ARG 59 1HH2 ARG 59 -3.976 16.560 -0.210 476 HH22 ARG 59 2HH2 ARG 59 -5.412 17.125 -1.015 477 H ALA 60 H ALA 60 -6.369 8.441 -2.703 478 HA ALA 60 HA ALA 60 -8.760 9.945 -2.750 479 HB1 ALA 60 3HB ALA 60 -8.198 7.274 -4.033 480 HB2 ALA 60 1HB ALA 60 -7.835 8.848 -4.738 481 HB3 ALA 60 2HB ALA 60 -9.509 8.376 -4.452 482 H SER 61 H SER 61 -7.880 6.899 -1.261 483 HA SER 61 HA SER 61 -10.492 6.117 -0.500 484 HB2 SER 61 1HB SER 61 -7.856 5.478 0.845 485 HB3 SER 61 2HB SER 61 -9.372 4.604 1.062 486 HG SER 61 HG SER 61 -7.800 4.802 -1.295 487 H LEU 62 H LEU 62 -8.006 8.114 1.022 488 HA LEU 62 HA LEU 62 -9.362 8.580 3.461 489 HB2 LEU 62 1HB LEU 62 -7.362 10.299 1.984 490 HB3 LEU 62 2HB LEU 62 -7.883 10.576 3.635 491 HG LEU 62 HG LEU 62 -6.430 8.104 2.690 492 HD11 LEU 62 1HD1 LEU 62 -4.495 9.024 3.855 493 HD12 LEU 62 2HD1 LEU 62 -5.398 10.497 4.207 494 HD13 LEU 62 3HD1 LEU 62 -5.008 10.080 2.538 495 HD21 LEU 62 3HD2 LEU 62 -7.841 7.701 4.627 496 HD22 LEU 62 1HD2 LEU 62 -7.126 9.086 5.455 497 HD23 LEU 62 2HD2 LEU 62 -6.138 7.674 5.084 498 H MET 63 H MET 63 -9.611 9.928 0.276 499 HA MET 63 HA MET 63 -11.301 12.135 1.051 500 HB2 MET 63 1HB MET 63 -10.668 10.974 -1.671 501 HB3 MET 63 2HB MET 63 -11.561 12.462 -1.394 502 HG2 MET 63 1HG MET 63 -9.635 13.519 -0.451 503 HG3 MET 63 2HG MET 63 -8.729 12.008 -0.490 504 HE1 MET 63 3HE MET 63 -10.004 14.347 -4.263 505 HE2 MET 63 1HE MET 63 -10.323 14.897 -2.617 506 HE3 MET 63 2HE MET 63 -11.143 13.465 -3.245 507 H GLY 64 H GLY 64 -11.805 8.923 1.009 508 HA2 GLY 64 1HA GLY 64 -13.740 7.704 1.248 509 HA3 GLY 64 2HA GLY 64 -14.650 9.196 1.070 510 H ASP 65 H ASP 65 -12.427 8.579 -1.439 511 HA ASP 65 HA ASP 65 -14.646 8.299 -3.291 512 HB2 ASP 65 1HB ASP 65 -12.658 9.857 -3.626 513 HB3 ASP 65 2HB ASP 65 -11.702 8.417 -3.961 514 H VAL 66 H VAL 66 -11.745 6.508 -2.357 515 HA VAL 66 HA VAL 66 -12.700 4.175 -3.851 516 HB VAL 66 HB VAL 66 -10.037 4.610 -2.487 517 HG11 VAL 66 1HG1 VAL 66 -10.955 2.436 -4.360 518 HG12 VAL 66 2HG1 VAL 66 -10.635 2.258 -2.634 519 HG13 VAL 66 3HG1 VAL 66 -9.316 2.639 -3.743 520 HG21 VAL 66 3HG2 VAL 66 -10.306 6.124 -4.371 521 HG22 VAL 66 1HG2 VAL 66 -10.775 4.775 -5.407 522 HG23 VAL 66 2HG2 VAL 66 -9.137 4.861 -4.761 523 H ALA 67 H ALA 67 -13.887 2.749 -2.777 524 HA ALA 67 HA ALA 67 -13.942 2.847 0.122 525 HB1 ALA 67 3HB ALA 67 -16.031 2.866 -1.174 526 HB2 ALA 67 1HB ALA 67 -15.945 1.516 -0.042 527 HB3 ALA 67 2HB ALA 67 -15.657 1.242 -1.759 528 H GLY 68 H GLY 68 -11.906 1.864 0.568 529 HA2 GLY 68 1HA GLY 68 -10.910 0.112 1.651 530 HA3 GLY 68 2HA GLY 68 -12.434 -0.736 1.507 531 H GLU 69 H GLU 69 -12.778 -2.111 -0.318 532 HA GLU 69 HA GLU 69 -10.447 -3.687 -0.639 533 HB2 GLU 69 1HB GLU 69 -13.244 -3.962 -1.691 534 HB3 GLU 69 2HB GLU 69 -11.976 -5.119 -2.089 535 HG2 GLU 69 1HG GLU 69 -11.634 -5.391 0.403 536 HG3 GLU 69 2HG GLU 69 -13.135 -4.490 0.608 537 H ILE 70 H ILE 70 -12.074 -1.443 -2.795 538 HA ILE 70 HA ILE 70 -10.843 -2.184 -5.194 539 HB ILE 70 HB ILE 70 -11.459 0.632 -4.271 540 HG12 ILE 70 1HG1 ILE 70 -13.142 -1.341 -5.833 541 HG13 ILE 70 2HG1 ILE 70 -13.422 -0.841 -4.168 542 HG21 ILE 70 1HG2 ILE 70 -11.079 -0.478 -7.051 543 HG22 ILE 70 2HG2 ILE 70 -9.961 0.582 -6.194 544 HG23 ILE 70 3HG2 ILE 70 -11.558 1.173 -6.655 545 HD11 ILE 70 3HD1 ILE 70 -13.560 0.930 -6.596 546 HD12 ILE 70 1HD1 ILE 70 -13.823 1.446 -4.930 547 HD13 ILE 70 2HD1 ILE 70 -14.928 0.295 -5.681 548 H ALA 71 H ALA 71 -9.739 0.077 -2.684 549 HA ALA 71 HA ALA 71 -7.197 0.562 -3.849 550 HB1 ALA 71 3HB ALA 71 -8.219 2.100 -2.233 551 HB2 ALA 71 1HB ALA 71 -6.616 1.577 -1.711 552 HB3 ALA 71 2HB ALA 71 -8.057 0.876 -0.973 553 H ARG 72 H ARG 72 -8.435 -1.752 -1.517 554 HA ARG 72 HA ARG 72 -6.044 -2.789 -0.537 555 HB2 ARG 72 1HB ARG 72 -8.372 -3.309 0.291 556 HB3 ARG 72 2HB ARG 72 -8.547 -4.394 -1.082 557 HG2 ARG 72 1HG ARG 72 -6.563 -5.649 -0.260 558 HG3 ARG 72 2HG ARG 72 -6.581 -4.627 1.176 559 HD2 ARG 72 1HD ARG 72 -9.033 -5.385 1.415 560 HD3 ARG 72 2HD ARG 72 -8.588 -6.669 0.290 561 HE ARG 72 HE ARG 72 -7.379 -6.247 2.949 562 HH11 ARG 72 1HH1 ARG 72 -8.200 -8.358 0.261 563 HH12 ARG 72 2HH1 ARG 72 -7.661 -9.793 1.081 564 HH21 ARG 72 1HH2 ARG 72 -6.673 -8.143 4.006 565 HH22 ARG 72 2HH2 ARG 72 -6.804 -9.674 3.189 566 H THR 73 H THR 73 -8.010 -3.966 -3.256 567 HA THR 73 HA THR 73 -6.288 -6.071 -3.965 568 HB THR 73 HB THR 73 -8.162 -4.619 -5.834 569 HG1 THR 73 HG1 THR 73 -9.508 -5.147 -4.212 570 HG21 THR 73 3HG2 THR 73 -7.236 -7.492 -5.714 571 HG22 THR 73 1HG2 THR 73 -6.709 -6.285 -6.888 572 HG23 THR 73 2HG2 THR 73 -8.387 -6.829 -6.871 573 H ALA 74 H ALA 74 -6.499 -2.713 -5.090 574 HA ALA 74 HA ALA 74 -4.544 -2.998 -7.131 575 HB1 ALA 74 3HB ALA 74 -5.438 -0.507 -5.691 576 HB2 ALA 74 1HB ALA 74 -6.187 -1.190 -7.133 577 HB3 ALA 74 2HB ALA 74 -4.539 -0.565 -7.206 578 H PHE 75 H PHE 75 -4.406 -2.198 -3.723 579 HA PHE 75 HA PHE 75 -1.708 -1.362 -3.636 580 HB2 PHE 75 1HB PHE 75 -3.411 -0.954 -1.845 581 HB3 PHE 75 2HB PHE 75 -3.321 -2.659 -1.428 582 HD1 PHE 75 HD2 PHE 75 -1.288 0.431 -1.668 583 HD2 PHE 75 HD1 PHE 75 -1.718 -3.425 0.077 584 HE1 PHE 75 HE2 PHE 75 0.583 0.914 -0.146 585 HE2 PHE 75 HE1 PHE 75 0.149 -2.949 1.603 586 HZ PHE 75 HZ PHE 75 1.301 -0.777 1.493 587 H VAL 76 H VAL 76 -3.274 -4.507 -3.335 588 HA VAL 76 HA VAL 76 -0.997 -6.009 -2.631 589 HB VAL 76 HB VAL 76 -3.431 -6.886 -4.205 590 HG11 VAL 76 1HG1 VAL 76 -1.562 -8.437 -4.502 591 HG12 VAL 76 2HG1 VAL 76 -2.837 -9.160 -3.519 592 HG13 VAL 76 3HG1 VAL 76 -1.369 -8.548 -2.754 593 HG21 VAL 76 3HG2 VAL 76 -4.019 -6.013 -2.020 594 HG22 VAL 76 1HG2 VAL 76 -2.806 -7.045 -1.259 595 HG23 VAL 76 2HG2 VAL 76 -4.211 -7.767 -2.043 596 H ALA 77 H ALA 77 -2.352 -5.088 -5.770 597 HA ALA 77 HA ALA 77 -0.545 -6.513 -7.393 598 HB1 ALA 77 3HB ALA 77 -2.639 -5.535 -8.228 599 HB2 ALA 77 1HB ALA 77 -1.245 -5.034 -9.186 600 HB3 ALA 77 2HB ALA 77 -1.957 -3.921 -8.017 601 H ALA 78 H ALA 78 -0.388 -3.315 -5.923 602 HA ALA 78 HA ALA 78 2.069 -2.548 -7.141 603 HB1 ALA 78 3HB ALA 78 0.813 -1.544 -4.587 604 HB2 ALA 78 1HB ALA 78 0.500 -0.909 -6.202 605 HB3 ALA 78 2HB ALA 78 2.106 -0.758 -5.491 606 H SER 79 H SER 79 1.191 -4.161 -4.138 607 HA SER 79 HA SER 79 3.770 -4.218 -2.990 608 HB2 SER 79 1HB SER 79 1.477 -6.156 -2.578 609 HB3 SER 79 2HB SER 79 2.865 -5.950 -1.510 610 HG SER 79 HG SER 79 0.915 -3.967 -2.121 611 H ARG 80 H ARG 80 2.323 -6.029 -5.540 612 HA ARG 80 HA ARG 80 3.950 -8.345 -5.389 613 HB2 ARG 80 1HB ARG 80 1.817 -8.120 -6.724 614 HB3 ARG 80 2HB ARG 80 2.731 -7.182 -7.898 615 HG2 ARG 80 1HG ARG 80 4.229 -9.109 -8.229 616 HG3 ARG 80 2HG ARG 80 3.237 -10.044 -7.111 617 HD2 ARG 80 1HD ARG 80 1.286 -9.605 -8.617 618 HD3 ARG 80 2HD ARG 80 2.415 -8.894 -9.771 619 HE ARG 80 HE ARG 80 2.954 -11.620 -8.869 620 HH11 ARG 80 1HH1 ARG 80 1.766 -9.497 -11.400 621 HH12 ARG 80 2HH1 ARG 80 1.842 -10.712 -12.640 622 HH21 ARG 80 1HH2 ARG 80 3.008 -13.237 -10.482 623 HH22 ARG 80 2HH2 ARG 80 2.519 -12.850 -12.105 624 H GLN 81 H GLN 81 4.518 -5.126 -6.476 625 HA GLN 81 HA GLN 81 6.688 -5.713 -8.239 626 HB2 GLN 81 1HB GLN 81 5.242 -3.541 -8.025 627 HB3 GLN 81 2HB GLN 81 6.420 -3.096 -6.797 628 HG2 GLN 81 1HG GLN 81 8.216 -3.276 -8.417 629 HG3 GLN 81 2HG GLN 81 7.069 -3.797 -9.654 630 HE21 GLN 81 2HE2 GLN 81 7.399 -2.112 -11.037 631 HE22 GLN 81 1HE2 GLN 81 6.940 -0.484 -10.680 632 H ALA 82 H ALA 82 6.308 -5.312 -4.822 633 HA ALA 82 HA ALA 82 9.116 -5.114 -4.230 634 HB1 ALA 82 3HB ALA 82 8.449 -5.397 -1.907 635 HB2 ALA 82 1HB ALA 82 6.822 -5.854 -2.411 636 HB3 ALA 82 2HB ALA 82 7.406 -4.216 -2.702 637 H HIS 83 H HIS 83 7.116 -7.541 -5.289 638 HA HIS 83 HA HIS 83 7.393 -9.746 -5.694 639 HB2 HIS 83 1HB HIS 83 10.206 -9.336 -4.657 640 HB3 HIS 83 2HB HIS 83 9.635 -10.736 -5.559 641 HD1 HIS 83 HD1 HIS 83 8.286 -9.669 -7.935 642 HD2 HIS 83 HD2 HIS 83 11.649 -7.802 -6.345 643 HE1 HIS 83 HE1 HIS 83 9.234 -8.270 -9.798 644 HE2 HIS 83 HE2 HIS 83 11.365 -7.313 -8.873 645 H CYS 84 H CYS 84 6.660 -8.624 -3.007 646 HA CYS 84 HA CYS 84 6.845 -11.148 -1.550 647 HB2 CYS 84 1HB CYS 84 7.221 -8.437 -0.255 648 HB3 CYS 84 2HB CYS 84 7.269 -9.998 0.551 649 HG CYS 84 HG CYS 84 9.551 -8.911 -1.760 650 H LEU 85 H LEU 85 4.739 -11.512 -2.281 651 HA LEU 85 HA LEU 85 2.620 -9.663 -1.680 652 HB2 LEU 85 1HB LEU 85 2.665 -12.499 -2.691 653 HB3 LEU 85 2HB LEU 85 1.164 -11.686 -2.297 654 HG LEU 85 HG LEU 85 1.475 -11.558 -4.655 655 HD11 LEU 85 1HD1 LEU 85 2.180 -8.907 -3.416 656 HD12 LEU 85 2HD1 LEU 85 0.557 -9.571 -3.603 657 HD13 LEU 85 3HD1 LEU 85 1.508 -9.152 -5.028 658 HD21 LEU 85 3HD2 LEU 85 3.873 -11.963 -4.759 659 HD22 LEU 85 1HD2 LEU 85 4.183 -10.353 -4.106 660 HD23 LEU 85 2HD2 LEU 85 3.433 -10.532 -5.693 661 H MET 86 H MET 86 0.727 -10.326 -0.378 662 HA MET 86 HA MET 86 1.168 -10.879 2.257 663 HB2 MET 86 1HB MET 86 -1.254 -11.606 0.598 664 HB3 MET 86 2HB MET 86 -1.215 -11.636 2.356 665 HG2 MET 86 1HG MET 86 -0.757 -9.254 2.401 666 HG3 MET 86 2HG MET 86 -0.768 -9.210 0.637 667 HE1 MET 86 3HE MET 86 -3.217 -11.291 0.063 668 HE2 MET 86 1HE MET 86 -2.915 -9.799 -0.825 669 HE3 MET 86 2HE MET 86 -4.513 -10.114 -0.151 670 H GLU 87 H GLU 87 1.501 -12.624 3.495 671 HA GLU 87 HA GLU 87 2.414 -15.017 2.292 672 HB2 GLU 87 1HB GLU 87 3.273 -14.097 4.428 673 HB3 GLU 87 2HB GLU 87 1.735 -14.480 5.186 674 HG2 GLU 87 1HG GLU 87 2.115 -16.855 4.744 675 HG3 GLU 87 2HG GLU 87 3.666 -16.461 4.003 676 H ASP 88 H ASP 88 -0.408 -14.248 4.270 677 HA ASP 88 HA ASP 88 -2.408 -15.263 4.612 678 HB2 ASP 88 1HB ASP 88 -1.906 -15.949 1.719 679 HB3 ASP 88 2HB ASP 88 -3.403 -16.382 2.538 680 H LYS 89 H LYS 89 -0.100 -16.710 5.415 681 HA LYS 89 HA LYS 89 0.493 -18.688 6.322 682 HB2 LYS 89 1HB LYS 89 -2.306 -19.541 5.574 683 HB3 LYS 89 2HB LYS 89 -1.198 -20.489 6.557 684 HG2 LYS 89 1HG LYS 89 -1.162 -18.706 8.232 685 HG3 LYS 89 2HG LYS 89 -2.275 -17.762 7.245 686 HD2 LYS 89 1HD LYS 89 -2.917 -20.519 8.270 687 HD3 LYS 89 2HD LYS 89 -3.305 -19.048 9.160 688 HE2 LYS 89 1HE LYS 89 -5.266 -19.644 7.985 689 HE3 LYS 89 2HE LYS 89 -4.565 -18.281 7.120 690 HZ1 LYS 89 3HZ LYS 89 -5.325 -19.986 5.599 691 HZ2 LYS 89 1HZ LYS 89 -4.323 -21.138 6.340 692 HZ3 LYS 89 2HZ LYS 89 -3.643 -19.831 5.505 693 H ALA 90 H ALA 90 2.100 -19.358 5.089 694 HA ALA 90 HA ALA 90 1.503 -21.360 3.053 695 HB1 ALA 90 3HB ALA 90 3.361 -19.030 2.552 696 HB2 ALA 90 1HB ALA 90 1.778 -19.264 1.808 697 HB3 ALA 90 2HB ALA 90 3.089 -20.393 1.466 698 H GLU 91 H GLU 91 3.090 -22.932 2.859 699 HA GLU 91 HA GLU 91 4.898 -23.092 5.127 700 HB2 GLU 91 1HB GLU 91 4.333 -25.080 2.922 701 HB3 GLU 91 2HB GLU 91 5.267 -25.398 4.376 702 HG2 GLU 91 1HG GLU 91 3.313 -25.076 5.752 703 HG3 GLU 91 2HG GLU 91 2.361 -24.621 4.340 704 H ALA 92 H ALA 92 7.053 -22.887 5.063 705 HA ALA 92 HA ALA 92 8.392 -22.854 2.455 706 HB1 ALA 92 3HB ALA 92 9.645 -20.857 3.032 707 HB2 ALA 92 1HB ALA 92 8.795 -20.748 4.573 708 HB3 ALA 92 2HB ALA 92 7.913 -20.524 3.061 709 HA PRO 93 HA PRO 93 10.976 -25.498 5.068 710 HB2 PRO 93 1HB PRO 93 12.296 -26.668 3.019 711 HB3 PRO 93 2HB PRO 93 10.666 -27.157 3.494 712 HG2 PRO 93 1HG PRO 93 11.534 -25.369 1.258 713 HG3 PRO 93 2HG PRO 93 10.297 -26.640 1.259 714 HD2 PRO 93 1HD PRO 93 9.707 -23.994 1.471 715 HD3 PRO 93 2HD PRO 93 8.713 -25.269 2.204 716 H ASN 94 H ASN 94 11.582 -22.772 3.364 717 HA ASN 94 HA ASN 94 14.480 -22.843 3.531 718 HB2 ASN 94 1HB ASN 94 13.445 -21.702 1.630 719 HB3 ASN 94 2HB ASN 94 12.571 -20.635 2.722 720 HD21 ASN 94 2HD2 ASN 94 13.630 -18.932 3.686 721 HD22 ASN 94 1HD2 ASN 94 15.229 -18.442 3.226 722 H THR 95 H THR 95 11.739 -21.719 5.320 723 HA THR 95 HA THR 95 13.171 -19.857 6.960 724 HB THR 95 HB THR 95 10.525 -21.118 7.647 725 HG1 THR 95 HG1 THR 95 11.185 -19.292 5.599 726 HG21 THR 95 3HG2 THR 95 11.675 -18.360 8.110 727 HG22 THR 95 1HG2 THR 95 11.531 -19.637 9.319 728 HG23 THR 95 2HG2 THR 95 10.081 -18.911 8.626 729 H ILE 96 H ILE 96 12.068 -23.190 7.255 730 HA ILE 96 HA ILE 96 13.504 -23.408 9.818 731 HB ILE 96 HB ILE 96 11.264 -25.175 8.804 732 HG12 ILE 96 1HG1 ILE 96 11.206 -23.057 10.966 733 HG13 ILE 96 2HG1 ILE 96 10.519 -22.867 9.357 734 HG21 ILE 96 1HG2 ILE 96 12.807 -26.341 10.284 735 HG22 ILE 96 2HG2 ILE 96 11.259 -26.077 11.087 736 HG23 ILE 96 3HG2 ILE 96 12.643 -25.061 11.485 737 HD11 ILE 96 3HD1 ILE 96 8.961 -24.690 9.812 738 HD12 ILE 96 1HD1 ILE 96 8.803 -23.385 10.987 739 HD13 ILE 96 2HD1 ILE 96 9.647 -24.870 11.426 740 H ALA 97 H ALA 97 15.356 -24.459 9.682 741 HA ALA 97 HA ALA 97 16.302 -25.788 7.413 742 HB1 ALA 97 3HB ALA 97 18.149 -26.530 8.814 743 HB2 ALA 97 1HB ALA 97 17.244 -26.086 10.263 744 HB3 ALA 97 2HB ALA 97 17.766 -24.837 9.131 745 H SER 98 H SER 98 16.168 -27.826 6.702 746 HA SER 98 HA SER 98 14.894 -29.819 8.457 747 HB2 SER 98 1HB SER 98 14.320 -29.424 5.508 748 HB3 SER 98 2HB SER 98 13.575 -30.622 6.565 749 HG SER 98 HG SER 98 13.415 -27.832 7.054 750 H GLY 99 H GLY 99 16.627 -31.089 8.890 751 HA2 GLY 99 1HA GLY 99 18.494 -31.812 6.787 752 HA3 GLY 99 2HA GLY 99 18.586 -32.288 8.478 753 H SER 100 H SER 100 17.501 -33.125 5.334 754 HA SER 100 HA SER 100 16.436 -35.659 6.383 755 HB2 SER 100 1HB SER 100 15.669 -34.286 3.794 756 HB3 SER 100 2HB SER 100 14.960 -35.762 4.449 757 HG SER 100 HG SER 100 14.312 -34.461 6.291 Start of MODEL 10 1 H1 MET 1 1H MET 1 -0.931 23.932 7.815 2 H2 MET 1 2H MET 1 0.005 24.566 9.075 3 H3 MET 1 3H MET 1 -1.472 23.804 9.419 4 HA MET 1 HA MET 1 -0.576 21.714 8.546 5 HB2 MET 1 1HB MET 1 1.986 23.319 8.474 6 HB3 MET 1 2HB MET 1 1.905 21.570 8.318 7 HG2 MET 1 1HG MET 1 0.588 21.802 6.282 8 HG3 MET 1 2HG MET 1 0.638 23.557 6.445 9 HE1 MET 1 3HE MET 1 1.565 23.766 3.950 10 HE2 MET 1 1HE MET 1 1.488 22.010 3.799 11 HE3 MET 1 2HE MET 1 2.963 22.869 3.357 12 H GLU 2 H GLU 2 -0.096 24.039 10.961 13 HA GLU 2 HA GLU 2 1.296 22.231 12.772 14 HB2 GLU 2 1HB GLU 2 0.330 25.077 13.114 15 HB3 GLU 2 2HB GLU 2 1.121 24.155 14.384 16 HG2 GLU 2 1HG GLU 2 2.710 25.624 13.346 17 HG3 GLU 2 2HG GLU 2 3.119 23.954 12.964 18 H VAL 3 H VAL 3 -1.780 23.997 12.633 19 HA VAL 3 HA VAL 3 -2.825 22.512 14.889 20 HB VAL 3 HB VAL 3 -4.236 24.491 13.087 21 HG11 VAL 3 1HG1 VAL 3 -5.006 23.394 15.791 22 HG12 VAL 3 2HG1 VAL 3 -5.783 23.013 14.254 23 HG13 VAL 3 3HG1 VAL 3 -5.871 24.651 14.905 24 HG21 VAL 3 3HG2 VAL 3 -2.356 25.532 14.223 25 HG22 VAL 3 1HG2 VAL 3 -2.919 24.903 15.770 26 HG23 VAL 3 2HG2 VAL 3 -3.879 26.103 14.905 27 H GLN 4 H GLN 4 -3.891 20.662 14.744 28 HA GLN 4 HA GLN 4 -4.592 19.663 12.092 29 HB2 GLN 4 1HB GLN 4 -4.647 18.248 14.764 30 HB3 GLN 4 2HB GLN 4 -4.880 17.497 13.191 31 HG2 GLN 4 1HG GLN 4 -2.580 18.190 12.577 32 HG3 GLN 4 2HG GLN 4 -2.368 18.793 14.219 33 HE21 GLN 4 2HE2 GLN 4 -0.906 16.714 12.828 34 HE22 GLN 4 1HE2 GLN 4 -1.092 15.269 13.770 35 H SER 5 H SER 5 -6.671 18.746 11.653 36 HA SER 5 HA SER 5 -8.808 20.288 12.814 37 HB2 SER 5 1HB SER 5 -8.902 18.132 10.689 38 HB3 SER 5 2HB SER 5 -10.196 19.263 11.081 39 HG SER 5 HG SER 5 -8.461 20.922 10.589 40 H MET 6 H MET 6 -10.638 19.455 13.851 41 HA MET 6 HA MET 6 -10.169 17.326 15.664 42 HB2 MET 6 1HB MET 6 -11.638 19.192 16.220 43 HB3 MET 6 2HB MET 6 -12.731 18.750 14.917 44 HG2 MET 6 1HG MET 6 -13.232 16.646 16.055 45 HG3 MET 6 2HG MET 6 -12.144 17.100 17.365 46 HE1 MET 6 3HE MET 6 -16.016 19.413 16.363 47 HE2 MET 6 1HE MET 6 -15.468 18.000 15.462 48 HE3 MET 6 2HE MET 6 -14.554 19.505 15.381 49 H LEU 7 H LEU 7 -11.851 17.582 12.604 50 HA LEU 7 HA LEU 7 -12.926 14.913 12.733 51 HB2 LEU 7 1HB LEU 7 -12.743 16.872 10.442 52 HB3 LEU 7 2HB LEU 7 -13.603 15.345 10.389 53 HG LEU 7 HG LEU 7 -14.277 17.661 12.206 54 HD11 LEU 7 1HD1 LEU 7 -14.755 18.139 9.860 55 HD12 LEU 7 2HD1 LEU 7 -16.242 17.928 10.787 56 HD13 LEU 7 3HD1 LEU 7 -15.666 16.634 9.735 57 HD21 LEU 7 3HD2 LEU 7 -15.700 15.045 11.722 58 HD22 LEU 7 1HD2 LEU 7 -16.292 16.376 12.717 59 HD23 LEU 7 2HD2 LEU 7 -14.836 15.501 13.190 60 H LEU 8 H LEU 8 -11.589 13.243 12.586 61 HA LEU 8 HA LEU 8 -9.190 13.451 10.927 62 HB2 LEU 8 1HB LEU 8 -10.058 11.279 12.839 63 HB3 LEU 8 2HB LEU 8 -8.518 11.349 12.005 64 HG LEU 8 HG LEU 8 -9.478 13.328 14.076 65 HD11 LEU 8 1HD1 LEU 8 -8.958 11.163 15.050 66 HD12 LEU 8 2HD1 LEU 8 -7.730 12.351 15.483 67 HD13 LEU 8 3HD1 LEU 8 -7.396 11.154 14.232 68 HD21 LEU 8 3HD2 LEU 8 -8.022 14.362 12.410 69 HD22 LEU 8 1HD2 LEU 8 -6.823 13.094 12.663 70 HD23 LEU 8 2HD2 LEU 8 -7.204 14.219 13.966 71 H ASN 9 H ASN 9 -8.908 12.330 9.078 72 HA ASN 9 HA ASN 9 -11.190 10.818 8.076 73 HB2 ASN 9 1HB ASN 9 -9.965 10.877 5.890 74 HB3 ASN 9 2HB ASN 9 -10.376 12.465 6.534 75 HD21 ASN 9 2HD2 ASN 9 -7.836 10.261 5.754 76 HD22 ASN 9 1HD2 ASN 9 -6.523 11.364 5.979 77 H ASP 10 H ASP 10 -9.842 9.512 10.106 78 HA ASP 10 HA ASP 10 -8.084 7.533 9.082 79 HB2 ASP 10 1HB ASP 10 -9.884 7.569 11.506 80 HB3 ASP 10 2HB ASP 10 -8.889 6.179 11.093 81 H VAL 11 H VAL 11 -8.887 6.753 7.189 82 HA VAL 11 HA VAL 11 -11.574 5.657 7.118 83 HB VAL 11 HB VAL 11 -9.515 5.685 4.900 84 HG11 VAL 11 1HG1 VAL 11 -11.467 5.457 3.438 85 HG12 VAL 11 2HG1 VAL 11 -12.510 5.363 4.856 86 HG13 VAL 11 3HG1 VAL 11 -11.318 4.097 4.552 87 HG21 VAL 11 3HG2 VAL 11 -10.671 7.677 4.051 88 HG22 VAL 11 1HG2 VAL 11 -9.940 7.966 5.629 89 HG23 VAL 11 2HG2 VAL 11 -11.679 7.701 5.498 90 H LYS 12 H LYS 12 -11.754 3.744 8.053 91 HA LYS 12 HA LYS 12 -9.633 1.940 8.447 92 HB2 LYS 12 1HB LYS 12 -11.578 1.950 9.921 93 HB3 LYS 12 2HB LYS 12 -12.624 1.488 8.585 94 HG2 LYS 12 1HG LYS 12 -11.201 -0.607 8.395 95 HG3 LYS 12 2HG LYS 12 -10.524 -0.153 9.958 96 HD2 LYS 12 1HD LYS 12 -12.674 -0.291 11.000 97 HD3 LYS 12 2HD LYS 12 -13.468 -0.526 9.438 98 HE2 LYS 12 1HE LYS 12 -12.208 -2.628 9.155 99 HE3 LYS 12 2HE LYS 12 -11.504 -2.399 10.754 100 HZ1 LYS 12 3HZ LYS 12 -14.393 -2.747 10.161 101 HZ2 LYS 12 1HZ LYS 12 -13.727 -2.503 11.703 102 HZ3 LYS 12 2HZ LYS 12 -13.365 -3.915 10.837 103 H TRP 13 H TRP 13 -9.057 0.071 7.425 104 HA TRP 13 HA TRP 13 -10.088 -0.349 4.741 105 HB2 TRP 13 1HB TRP 13 -7.601 -0.785 5.954 106 HB3 TRP 13 2HB TRP 13 -8.265 -2.399 5.700 107 HD1 TRP 13 HD1 TRP 13 -9.592 -2.283 2.972 108 HE1 TRP 13 HE1 TRP 13 -8.290 -1.764 0.819 109 HE3 TRP 13 HE3 TRP 13 -5.539 0.063 5.026 110 HZ2 TRP 13 HZ2 TRP 13 -5.851 -0.537 0.086 111 HZ3 TRP 13 HZ3 TRP 13 -3.765 0.877 3.529 112 HH2 TRP 13 HH2 TRP 13 -3.919 0.582 1.109 113 H GLU 14 H GLU 14 -11.791 -1.601 4.418 114 HA GLU 14 HA GLU 14 -13.128 -2.873 6.520 115 HB2 GLU 14 1HB GLU 14 -13.479 -3.220 3.541 116 HB3 GLU 14 2HB GLU 14 -14.612 -3.794 4.762 117 HG2 GLU 14 1HG GLU 14 -14.840 -1.441 5.551 118 HG3 GLU 14 2HG GLU 14 -13.858 -0.941 4.176 119 H LYS 15 H LYS 15 -10.935 -4.165 4.084 120 HA LYS 15 HA LYS 15 -10.660 -6.486 5.861 121 HB2 LYS 15 1HB LYS 15 -11.621 -6.958 3.493 122 HB3 LYS 15 2HB LYS 15 -9.978 -6.658 2.934 123 HG2 LYS 15 1HG LYS 15 -9.159 -8.422 4.424 124 HG3 LYS 15 2HG LYS 15 -10.811 -8.733 4.951 125 HD2 LYS 15 1HD LYS 15 -11.352 -9.186 2.515 126 HD3 LYS 15 2HD LYS 15 -9.609 -9.181 2.230 127 HE2 LYS 15 1HE LYS 15 -11.135 -11.009 4.086 128 HE3 LYS 15 2HE LYS 15 -10.373 -11.454 2.560 129 HZ1 LYS 15 3HZ LYS 15 -8.787 -10.317 4.782 130 HZ2 LYS 15 1HZ LYS 15 -8.252 -11.250 3.470 131 HZ3 LYS 15 2HZ LYS 15 -9.139 -11.971 4.721 132 HA PRO 16 HA PRO 16 -6.946 -4.052 6.571 133 HB2 PRO 16 1HB PRO 16 -6.325 -6.613 7.980 134 HB3 PRO 16 2HB PRO 16 -6.121 -4.947 8.534 135 HG2 PRO 16 1HG PRO 16 -8.162 -6.397 9.404 136 HG3 PRO 16 2HG PRO 16 -8.382 -4.685 8.999 137 HD2 PRO 16 1HD PRO 16 -9.220 -7.114 7.491 138 HD3 PRO 16 2HD PRO 16 -10.010 -5.529 7.612 139 H VAL 17 H VAL 17 -4.990 -3.940 5.643 140 HA VAL 17 HA VAL 17 -4.255 -6.135 3.843 141 HB VAL 17 HB VAL 17 -3.381 -3.239 3.829 142 HG11 VAL 17 1HG1 VAL 17 -2.763 -5.443 1.860 143 HG12 VAL 17 2HG1 VAL 17 -1.616 -4.703 2.978 144 HG13 VAL 17 3HG1 VAL 17 -2.327 -3.743 1.679 145 HG21 VAL 17 3HG2 VAL 17 -5.227 -4.765 1.995 146 HG22 VAL 17 1HG2 VAL 17 -4.701 -3.098 1.763 147 HG23 VAL 17 2HG2 VAL 17 -5.698 -3.522 3.154 148 H THR 18 H THR 18 -2.565 -7.347 4.261 149 HA THR 18 HA THR 18 -0.640 -6.507 6.319 150 HB THR 18 HB THR 18 -1.012 -9.273 5.160 151 HG1 THR 18 HG1 THR 18 -2.756 -7.956 6.594 152 HG21 THR 18 3HG2 THR 18 0.071 -9.975 7.246 153 HG22 THR 18 1HG2 THR 18 0.230 -8.288 7.730 154 HG23 THR 18 2HG2 THR 18 1.104 -8.885 6.320 155 H ILE 19 H ILE 19 1.231 -5.727 5.589 156 HA ILE 19 HA ILE 19 2.079 -6.495 2.876 157 HB ILE 19 HB ILE 19 1.587 -4.036 3.437 158 HG12 ILE 19 1HG1 ILE 19 4.336 -4.658 2.352 159 HG13 ILE 19 2HG1 ILE 19 2.845 -4.870 1.439 160 HG21 ILE 19 1HG2 ILE 19 4.243 -4.319 4.834 161 HG22 ILE 19 2HG2 ILE 19 2.700 -3.901 5.579 162 HG23 ILE 19 3HG2 ILE 19 3.459 -2.788 4.441 163 HD11 ILE 19 3HD1 ILE 19 3.926 -2.279 2.516 164 HD12 ILE 19 1HD1 ILE 19 2.398 -2.471 1.656 165 HD13 ILE 19 2HD1 ILE 19 3.921 -2.803 0.830 166 H SER 20 H SER 20 4.297 -6.975 2.501 167 HA SER 20 HA SER 20 5.610 -8.052 4.896 168 HB2 SER 20 1HB SER 20 5.018 -9.666 3.085 169 HB3 SER 20 2HB SER 20 6.091 -8.788 1.997 170 HG SER 20 HG SER 20 7.629 -9.976 2.771 171 H LEU 21 H LEU 21 6.988 -6.585 5.672 172 HA LEU 21 HA LEU 21 8.355 -4.680 4.042 173 HB2 LEU 21 1HB LEU 21 8.688 -5.501 6.925 174 HB3 LEU 21 2HB LEU 21 9.689 -4.278 6.173 175 HG LEU 21 HG LEU 21 7.550 -3.006 5.674 176 HD11 LEU 21 1HD1 LEU 21 5.613 -3.512 7.061 177 HD12 LEU 21 2HD1 LEU 21 6.415 -4.959 7.670 178 HD13 LEU 21 3HD1 LEU 21 5.975 -4.846 5.965 179 HD21 LEU 21 3HD2 LEU 21 9.098 -2.365 7.438 180 HD22 LEU 21 1HD2 LEU 21 8.312 -3.484 8.550 181 HD23 LEU 21 2HD2 LEU 21 7.428 -2.087 7.935 182 H GLN 22 H GLN 22 10.775 -4.457 4.122 183 HA GLN 22 HA GLN 22 12.055 -6.738 3.062 184 HB2 GLN 22 1HB GLN 22 12.725 -4.413 2.556 185 HB3 GLN 22 2HB GLN 22 13.280 -4.220 4.212 186 HG2 GLN 22 1HG GLN 22 14.985 -5.905 3.866 187 HG3 GLN 22 2HG GLN 22 14.406 -6.179 2.224 188 HE21 GLN 22 2HE2 GLN 22 17.018 -5.296 3.221 189 HE22 GLN 22 1HE2 GLN 22 17.342 -3.794 2.425 190 H ASN 23 H ASN 23 11.483 -5.664 6.237 191 HA ASN 23 HA ASN 23 13.528 -6.930 7.684 192 HB2 ASN 23 1HB ASN 23 10.642 -6.449 8.475 193 HB3 ASN 23 2HB ASN 23 11.939 -6.866 9.586 194 HD21 ASN 23 2HD2 ASN 23 11.528 -4.991 10.761 195 HD22 ASN 23 1HD2 ASN 23 12.034 -3.432 10.193 196 H GLY 24 H GLY 24 10.859 -8.195 5.937 197 HA2 GLY 24 1HA GLY 24 10.220 -10.410 5.616 198 HA3 GLY 24 2HA GLY 24 11.380 -10.896 6.850 199 H ALA 25 H ALA 25 8.933 -8.427 7.207 200 HA ALA 25 HA ALA 25 7.536 -10.117 9.151 201 HB1 ALA 25 3HB ALA 25 7.360 -8.222 10.675 202 HB2 ALA 25 1HB ALA 25 8.295 -7.228 9.557 203 HB3 ALA 25 2HB ALA 25 9.047 -8.613 10.347 204 HA PRO 26 HA PRO 26 3.995 -8.424 6.976 205 HB2 PRO 26 1HB PRO 26 2.226 -9.889 8.635 206 HB3 PRO 26 2HB PRO 26 2.826 -10.354 7.045 207 HG2 PRO 26 1HG PRO 26 3.406 -11.640 9.450 208 HG3 PRO 26 2HG PRO 26 4.286 -11.840 7.926 209 HD2 PRO 26 1HD PRO 26 4.967 -10.190 10.312 210 HD3 PRO 26 2HD PRO 26 6.033 -11.061 9.188 211 H ARG 27 H ARG 27 3.393 -6.403 7.403 212 HA ARG 27 HA ARG 27 2.479 -5.756 10.123 213 HB2 ARG 27 1HB ARG 27 4.293 -4.327 9.260 214 HB3 ARG 27 2HB ARG 27 3.292 -3.893 7.881 215 HG2 ARG 27 1HG ARG 27 1.756 -2.714 9.265 216 HG3 ARG 27 2HG ARG 27 2.521 -3.328 10.731 217 HD2 ARG 27 1HD ARG 27 3.829 -1.512 8.709 218 HD3 ARG 27 2HD ARG 27 3.143 -0.994 10.247 219 HE ARG 27 HE ARG 27 4.948 -2.961 10.900 220 HH11 ARG 27 1HH1 ARG 27 5.060 0.148 9.277 221 HH12 ARG 27 2HH1 ARG 27 6.736 0.430 9.664 222 HH21 ARG 27 1HH2 ARG 27 7.129 -2.559 11.463 223 HH22 ARG 27 2HH2 ARG 27 7.891 -1.081 10.955 224 H ILE 28 H ILE 28 0.396 -5.418 10.484 225 HA ILE 28 HA ILE 28 -1.420 -5.581 8.189 226 HB ILE 28 HB ILE 28 -2.074 -5.831 11.130 227 HG12 ILE 28 1HG1 ILE 28 -1.641 -8.021 9.083 228 HG13 ILE 28 2HG1 ILE 28 -0.498 -7.589 10.350 229 HG21 ILE 28 1HG2 ILE 28 -3.978 -5.209 9.747 230 HG22 ILE 28 2HG2 ILE 28 -4.145 -6.870 10.317 231 HG23 ILE 28 3HG2 ILE 28 -3.643 -6.554 8.656 232 HD11 ILE 28 3HD1 ILE 28 -1.770 -9.559 10.954 233 HD12 ILE 28 1HD1 ILE 28 -3.278 -8.662 10.766 234 HD13 ILE 28 2HD1 ILE 28 -2.142 -8.221 12.041 235 H PHE 29 H PHE 29 -2.204 -3.749 7.413 236 HA PHE 29 HA PHE 29 -2.447 -1.400 9.125 237 HB2 PHE 29 1HB PHE 29 -3.078 -1.698 6.178 238 HB3 PHE 29 2HB PHE 29 -2.977 -0.188 7.076 239 HD1 PHE 29 HD2 PHE 29 -0.644 0.121 8.346 240 HD2 PHE 29 HD1 PHE 29 -1.290 -2.290 4.899 241 HE1 PHE 29 HE2 PHE 29 1.746 0.284 7.790 242 HE2 PHE 29 HE1 PHE 29 1.099 -2.133 4.338 243 HZ PHE 29 HZ PHE 29 2.620 -0.845 5.781 244 H ASN 30 H ASN 30 -4.289 -0.876 10.104 245 HA ASN 30 HA ASN 30 -6.698 -2.393 9.454 246 HB2 ASN 30 1HB ASN 30 -6.108 -0.483 11.728 247 HB3 ASN 30 2HB ASN 30 -7.608 -1.383 11.534 248 HD21 ASN 30 2HD2 ASN 30 -6.296 -3.790 10.573 249 HD22 ASN 30 1HD2 ASN 30 -5.523 -4.506 11.948 250 H GLY 31 H GLY 31 -5.282 0.684 9.024 251 HA2 GLY 31 1HA GLY 31 -7.753 1.604 7.719 252 HA3 GLY 31 2HA GLY 31 -6.903 2.669 8.832 253 H VAL 32 H VAL 32 -7.429 3.182 6.078 254 HA VAL 32 HA VAL 32 -5.231 2.609 4.417 255 HB VAL 32 HB VAL 32 -7.065 5.007 4.253 256 HG11 VAL 32 1HG1 VAL 32 -6.487 5.060 1.907 257 HG12 VAL 32 2HG1 VAL 32 -5.445 3.651 2.104 258 HG13 VAL 32 3HG1 VAL 32 -5.026 5.176 2.885 259 HG21 VAL 32 3HG2 VAL 32 -8.337 2.929 4.317 260 HG22 VAL 32 1HG2 VAL 32 -7.345 2.271 3.016 261 HG23 VAL 32 2HG2 VAL 32 -8.400 3.652 2.710 262 H TYR 33 H TYR 33 -5.759 5.094 6.819 263 HA TYR 33 HA TYR 33 -3.785 6.915 6.015 264 HB2 TYR 33 1HB TYR 33 -5.473 7.516 7.668 265 HB3 TYR 33 2HB TYR 33 -4.821 6.330 8.796 266 HD1 TYR 33 HD2 TYR 33 -3.901 9.413 6.926 267 HD2 TYR 33 HD1 TYR 33 -3.156 6.950 10.316 268 HE1 TYR 33 HE2 TYR 33 -2.351 11.102 7.808 269 HE2 TYR 33 HE1 TYR 33 -1.604 8.634 11.205 270 HH TYR 33 HH TYR 33 -0.210 10.463 10.378 271 H GLU 34 H GLU 34 -3.604 4.102 8.159 272 HA GLU 34 HA GLU 34 -0.974 4.436 9.055 273 HB2 GLU 34 1HB GLU 34 -2.498 1.872 8.558 274 HB3 GLU 34 2HB GLU 34 -1.016 1.998 9.493 275 HG2 GLU 34 1HG GLU 34 -2.139 3.396 11.125 276 HG3 GLU 34 2HG GLU 34 -3.619 3.348 10.169 277 H ALA 35 H ALA 35 -2.266 2.838 6.197 278 HA ALA 35 HA ALA 35 0.239 1.825 5.292 279 HB1 ALA 35 3HB ALA 35 -2.300 2.257 3.722 280 HB2 ALA 35 1HB ALA 35 -1.947 0.830 4.698 281 HB3 ALA 35 2HB ALA 35 -0.954 1.203 3.287 282 H PHE 36 H PHE 36 -1.746 4.637 4.458 283 HA PHE 36 HA PHE 36 -0.236 5.568 2.295 284 HB2 PHE 36 1HB PHE 36 -2.513 6.361 2.881 285 HB3 PHE 36 2HB PHE 36 -1.842 7.206 4.271 286 HD1 PHE 36 HD1 PHE 36 -1.194 6.957 0.597 287 HD2 PHE 36 HD2 PHE 36 -1.527 9.459 4.025 288 HE1 PHE 36 HE1 PHE 36 -0.805 8.935 -0.812 289 HE2 PHE 36 HE2 PHE 36 -1.137 11.441 2.620 290 HZ PHE 36 HZ PHE 36 -0.778 11.181 0.197 291 H ASP 37 H ASP 37 0.137 6.070 5.763 292 HA ASP 37 HA ASP 37 2.209 8.010 5.577 293 HB2 ASP 37 1HB ASP 37 0.823 7.545 7.627 294 HB3 ASP 37 2HB ASP 37 1.726 6.049 7.833 295 H PHE 38 H PHE 38 2.189 4.492 5.970 296 HA PHE 38 HA PHE 38 4.942 4.079 6.230 297 HB2 PHE 38 1HB PHE 38 3.351 2.333 6.764 298 HB3 PHE 38 2HB PHE 38 2.789 2.280 5.098 299 HD1 PHE 38 HD2 PHE 38 5.937 1.877 7.059 300 HD2 PHE 38 HD1 PHE 38 3.610 0.627 3.721 301 HE1 PHE 38 HE2 PHE 38 7.594 0.129 6.560 302 HE2 PHE 38 HE1 PHE 38 5.264 -1.120 3.217 303 HZ PHE 38 HZ PHE 38 7.259 -1.372 4.638 304 H LEU 39 H LEU 39 2.912 4.254 3.348 305 HA LEU 39 HA LEU 39 4.854 3.364 1.503 306 HB2 LEU 39 1HB LEU 39 2.477 5.156 1.030 307 HB3 LEU 39 2HB LEU 39 3.371 4.292 -0.205 308 HG LEU 39 HG LEU 39 1.741 3.029 1.997 309 HD11 LEU 39 1HD1 LEU 39 1.250 3.269 -0.967 310 HD12 LEU 39 2HD1 LEU 39 0.361 4.097 0.314 311 HD13 LEU 39 3HD1 LEU 39 0.267 2.341 0.167 312 HD21 LEU 39 3HD2 LEU 39 3.244 1.781 -0.300 313 HD22 LEU 39 1HD2 LEU 39 2.159 0.932 0.802 314 HD23 LEU 39 2HD2 LEU 39 3.652 1.650 1.411 315 H GLN 40 H GLN 40 4.470 6.379 3.088 316 HA GLN 40 HA GLN 40 6.166 7.738 1.116 317 HB2 GLN 40 1HB GLN 40 4.702 8.841 3.522 318 HB3 GLN 40 2HB GLN 40 5.628 9.794 2.373 319 HG2 GLN 40 1HG GLN 40 4.076 9.269 0.613 320 HG3 GLN 40 2HG GLN 40 3.192 8.173 1.677 321 HE21 GLN 40 2HE2 GLN 40 1.918 9.014 3.315 322 HE22 GLN 40 1HE2 GLN 40 1.429 10.674 3.344 323 H HIS 41 H HIS 41 6.540 5.833 3.694 324 HA HIS 41 HA HIS 41 8.810 7.346 4.788 325 HB2 HIS 41 1HB HIS 41 6.894 5.404 5.994 326 HB3 HIS 41 2HB HIS 41 8.536 5.452 6.624 327 HD1 HIS 41 HD1 HIS 41 8.707 6.881 8.594 328 HD2 HIS 41 HD2 HIS 41 5.865 8.312 5.915 329 HE1 HIS 41 HE1 HIS 41 7.747 8.950 9.658 330 HE2 HIS 41 HE2 HIS 41 5.883 9.659 8.125 331 H GLU 42 H GLU 42 7.837 3.961 4.173 332 HA GLU 42 HA GLU 42 10.609 3.390 3.433 333 HB2 GLU 42 1HB GLU 42 9.084 1.914 5.588 334 HB3 GLU 42 2HB GLU 42 10.646 1.427 4.943 335 HG2 GLU 42 1HG GLU 42 11.699 3.375 5.824 336 HG3 GLU 42 2HG GLU 42 10.147 4.073 6.279 337 H TRP 43 H TRP 43 8.845 3.463 1.464 338 HA TRP 43 HA TRP 43 7.883 0.774 0.950 339 HB2 TRP 43 1HB TRP 43 6.761 2.740 -0.063 340 HB3 TRP 43 2HB TRP 43 8.233 3.111 -0.952 341 HD1 TRP 43 HD1 TRP 43 8.329 2.182 -3.325 342 HE1 TRP 43 HE1 TRP 43 7.090 0.365 -4.653 343 HE3 TRP 43 HE3 TRP 43 5.472 0.221 0.441 344 HZ2 TRP 43 HZ2 TRP 43 5.153 -1.623 -4.181 345 HZ3 TRP 43 HZ3 TRP 43 3.952 -1.634 -0.094 346 HH2 TRP 43 HH2 TRP 43 3.795 -2.536 -2.353 347 HA PRO 44 HA PRO 44 12.163 -0.259 0.560 348 HB2 PRO 44 1HB PRO 44 11.860 -2.937 0.159 349 HB3 PRO 44 2HB PRO 44 11.688 -2.155 1.734 350 HG2 PRO 44 1HG PRO 44 9.568 -3.005 -0.200 351 HG3 PRO 44 2HG PRO 44 9.609 -3.177 1.564 352 HD2 PRO 44 1HD PRO 44 8.196 -1.234 0.336 353 HD3 PRO 44 2HD PRO 44 8.963 -0.993 1.918 354 H ALA 45 H ALA 45 9.914 -1.428 -1.926 355 HA ALA 45 HA ALA 45 12.171 -1.923 -3.711 356 HB1 ALA 45 3HB ALA 45 9.251 -2.570 -4.073 357 HB2 ALA 45 1HB ALA 45 10.489 -3.680 -3.484 358 HB3 ALA 45 2HB ALA 45 10.568 -3.067 -5.137 359 H ARG 46 H ARG 46 12.379 -0.982 -5.718 360 HA ARG 46 HA ARG 46 11.239 1.649 -5.995 361 HB2 ARG 46 1HB ARG 46 13.224 0.049 -7.594 362 HB3 ARG 46 2HB ARG 46 12.619 1.596 -8.163 363 HG2 ARG 46 1HG ARG 46 13.479 2.686 -6.162 364 HG3 ARG 46 2HG ARG 46 14.067 1.133 -5.563 365 HD2 ARG 46 1HD ARG 46 14.922 2.349 -8.181 366 HD3 ARG 46 2HD ARG 46 15.794 2.584 -6.666 367 HE ARG 46 HE ARG 46 16.079 0.118 -6.631 368 HH11 ARG 46 1HH1 ARG 46 15.416 1.717 -9.675 369 HH12 ARG 46 2HH1 ARG 46 16.218 0.510 -10.630 370 HH21 ARG 46 1HH2 ARG 46 17.141 -1.450 -7.854 371 HH22 ARG 46 2HH2 ARG 46 17.217 -1.304 -9.593 372 H GLY 47 H GLY 47 10.952 1.941 -8.724 373 HA2 GLY 47 1HA GLY 47 9.611 0.454 -10.390 374 HA3 GLY 47 2HA GLY 47 8.417 0.506 -9.099 375 H ASP 48 H ASP 48 9.489 3.304 -8.518 376 HA ASP 48 HA ASP 48 8.970 5.456 -8.957 377 HB2 ASP 48 1HB ASP 48 10.280 5.078 -11.012 378 HB3 ASP 48 2HB ASP 48 8.817 4.558 -11.841 379 H ARG 49 H ARG 49 6.980 4.144 -11.598 380 HA ARG 49 HA ARG 49 4.683 5.527 -10.592 381 HB2 ARG 49 1HB ARG 49 5.004 3.564 -12.863 382 HB3 ARG 49 2HB ARG 49 3.477 4.340 -12.458 383 HG2 ARG 49 1HG ARG 49 4.584 6.542 -12.772 384 HG3 ARG 49 2HG ARG 49 6.017 5.686 -13.340 385 HD2 ARG 49 1HD ARG 49 4.715 6.449 -15.223 386 HD3 ARG 49 2HD ARG 49 4.683 4.690 -15.145 387 HE ARG 49 HE ARG 49 2.418 4.792 -14.928 388 HH11 ARG 49 1HH1 ARG 49 3.733 7.875 -13.904 389 HH12 ARG 49 2HH1 ARG 49 2.185 8.656 -13.834 390 HH21 ARG 49 1HH2 ARG 49 0.369 5.826 -14.847 391 HH22 ARG 49 2HH2 ARG 49 0.278 7.504 -14.400 392 H ALA 50 H ALA 50 6.021 2.372 -10.194 393 HA ALA 50 HA ALA 50 3.718 1.078 -9.165 394 HB1 ALA 50 3HB ALA 50 5.734 -0.161 -9.793 395 HB2 ALA 50 1HB ALA 50 5.287 -0.482 -8.117 396 HB3 ALA 50 2HB ALA 50 6.623 0.611 -8.479 397 H HIS 51 H HIS 51 6.249 3.061 -7.723 398 HA HIS 51 HA HIS 51 5.268 2.946 -5.051 399 HB2 HIS 51 1HB HIS 51 7.615 3.592 -5.744 400 HB3 HIS 51 2HB HIS 51 6.962 5.117 -6.324 401 HD1 HIS 51 HD1 HIS 51 8.877 4.085 -3.673 402 HD2 HIS 51 HD2 HIS 51 5.277 6.172 -3.825 403 HE1 HIS 51 HE1 HIS 51 8.712 5.330 -1.497 404 HE2 HIS 51 HE2 HIS 51 6.436 6.384 -1.521 405 H GLU 52 H GLU 52 4.903 5.189 -7.758 406 HA GLU 52 HA GLU 52 3.396 7.153 -6.445 407 HB2 GLU 52 1HB GLU 52 4.490 7.386 -8.689 408 HB3 GLU 52 2HB GLU 52 3.200 6.403 -9.365 409 HG2 GLU 52 1HG GLU 52 1.569 8.092 -8.550 410 HG3 GLU 52 2HG GLU 52 2.928 9.098 -8.058 411 H GLN 53 H GLN 53 2.359 4.264 -8.241 412 HA GLN 53 HA GLN 53 -0.399 4.768 -8.187 413 HB2 GLN 53 1HB GLN 53 0.724 3.027 -9.581 414 HB3 GLN 53 2HB GLN 53 0.942 2.057 -8.129 415 HG2 GLN 53 1HG GLN 53 -1.507 1.995 -7.840 416 HG3 GLN 53 2HG GLN 53 -1.682 2.892 -9.347 417 HE21 GLN 53 2HE2 GLN 53 0.589 1.457 -10.568 418 HE22 GLN 53 1HE2 GLN 53 -0.019 -0.106 -10.976 419 H ALA 54 H ALA 54 1.704 3.128 -5.870 420 HA ALA 54 HA ALA 54 -0.238 2.145 -4.129 421 HB1 ALA 54 3HB ALA 54 2.128 1.532 -4.001 422 HB2 ALA 54 1HB ALA 54 1.522 2.094 -2.443 423 HB3 ALA 54 2HB ALA 54 2.519 3.157 -3.437 424 H LEU 55 H LEU 55 1.460 5.271 -4.088 425 HA LEU 55 HA LEU 55 -0.005 6.291 -1.866 426 HB2 LEU 55 1HB LEU 55 1.764 7.539 -3.944 427 HB3 LEU 55 2HB LEU 55 0.853 8.547 -2.839 428 HG LEU 55 HG LEU 55 1.998 7.480 -0.928 429 HD11 LEU 55 1HD1 LEU 55 2.471 5.311 -1.921 430 HD12 LEU 55 2HD1 LEU 55 3.944 6.063 -1.310 431 HD13 LEU 55 3HD1 LEU 55 3.608 6.060 -3.042 432 HD21 LEU 55 3HD2 LEU 55 2.897 9.534 -1.851 433 HD22 LEU 55 1HD2 LEU 55 3.834 8.617 -3.031 434 HD23 LEU 55 2HD2 LEU 55 4.206 8.479 -1.313 435 H ARG 56 H ARG 56 -0.378 6.465 -5.347 436 HA ARG 56 HA ARG 56 -2.376 8.355 -5.635 437 HB2 ARG 56 1HB ARG 56 -1.232 7.261 -7.510 438 HB3 ARG 56 2HB ARG 56 -2.018 5.741 -7.120 439 HG2 ARG 56 1HG ARG 56 -3.320 6.466 -8.845 440 HG3 ARG 56 2HG ARG 56 -4.207 7.129 -7.472 441 HD2 ARG 56 1HD ARG 56 -4.013 8.810 -9.187 442 HD3 ARG 56 2HD ARG 56 -3.036 9.278 -7.796 443 HE ARG 56 HE ARG 56 -1.083 8.817 -9.040 444 HH11 ARG 56 1HH1 ARG 56 -3.992 8.266 -10.902 445 HH12 ARG 56 2HH1 ARG 56 -3.186 8.351 -12.440 446 HH21 ARG 56 1HH2 ARG 56 0.001 8.928 -11.070 447 HH22 ARG 56 2HH2 ARG 56 -0.937 8.763 -12.532 448 H LEU 57 H LEU 57 -2.735 4.868 -5.090 449 HA LEU 57 HA LEU 57 -5.555 4.858 -5.083 450 HB2 LEU 57 1HB LEU 57 -3.631 2.900 -3.832 451 HB3 LEU 57 2HB LEU 57 -5.327 2.598 -4.159 452 HG LEU 57 HG LEU 57 -3.282 3.202 -6.295 453 HD11 LEU 57 1HD1 LEU 57 -4.399 0.551 -5.399 454 HD12 LEU 57 2HD1 LEU 57 -2.739 1.108 -5.188 455 HD13 LEU 57 3HD1 LEU 57 -3.372 0.813 -6.808 456 HD21 LEU 57 3HD2 LEU 57 -5.009 2.358 -7.810 457 HD22 LEU 57 1HD2 LEU 57 -5.574 3.765 -6.909 458 HD23 LEU 57 2HD2 LEU 57 -6.105 2.149 -6.444 459 H CYS 58 H CYS 58 -3.201 4.844 -2.416 460 HA CYS 58 HA CYS 58 -5.127 4.681 -0.359 461 HB2 CYS 58 1HB CYS 58 -2.321 5.797 -0.239 462 HB3 CYS 58 2HB CYS 58 -3.295 5.304 1.143 463 HG CYS 58 HG CYS 58 -1.689 3.387 -1.140 464 H ARG 59 H ARG 59 -3.673 7.412 -2.027 465 HA ARG 59 HA ARG 59 -4.601 9.457 -0.329 466 HB2 ARG 59 1HB ARG 59 -2.890 9.829 -2.039 467 HB3 ARG 59 2HB ARG 59 -4.064 9.508 -3.305 468 HG2 ARG 59 1HG ARG 59 -5.329 11.496 -2.633 469 HG3 ARG 59 2HG ARG 59 -4.129 11.823 -1.379 470 HD2 ARG 59 1HD ARG 59 -2.406 12.112 -3.036 471 HD3 ARG 59 2HD ARG 59 -3.506 11.619 -4.320 472 HE ARG 59 HE ARG 59 -4.107 14.023 -2.736 473 HH11 ARG 59 1HH1 ARG 59 -3.218 12.550 -5.788 474 HH12 ARG 59 2HH1 ARG 59 -3.577 13.965 -6.730 475 HH21 ARG 59 1HH2 ARG 59 -4.556 15.892 -3.962 476 HH22 ARG 59 2HH2 ARG 59 -4.330 15.866 -5.683 477 H ALA 60 H ALA 60 -6.068 7.871 -3.136 478 HA ALA 60 HA ALA 60 -8.420 9.511 -3.091 479 HB1 ALA 60 3HB ALA 60 -7.933 6.877 -4.475 480 HB2 ALA 60 1HB ALA 60 -7.618 8.473 -5.156 481 HB3 ALA 60 2HB ALA 60 -9.272 7.982 -4.789 482 H SER 61 H SER 61 -7.420 6.559 -1.574 483 HA SER 61 HA SER 61 -10.037 5.665 -0.875 484 HB2 SER 61 1HB SER 61 -7.358 4.920 0.312 485 HB3 SER 61 2HB SER 61 -8.873 4.051 0.563 486 HG SER 61 HG SER 61 -7.435 4.383 -1.862 487 H LEU 62 H LEU 62 -7.584 7.660 0.681 488 HA LEU 62 HA LEU 62 -8.919 7.865 3.186 489 HB2 LEU 62 1HB LEU 62 -6.803 9.529 1.845 490 HB3 LEU 62 2HB LEU 62 -7.486 9.983 3.395 491 HG LEU 62 HG LEU 62 -6.061 7.379 2.840 492 HD11 LEU 62 1HD1 LEU 62 -5.127 9.859 4.278 493 HD12 LEU 62 2HD1 LEU 62 -4.534 9.269 2.725 494 HD13 LEU 62 3HD1 LEU 62 -4.254 8.329 4.192 495 HD21 LEU 62 3HD2 LEU 62 -7.739 7.205 4.608 496 HD22 LEU 62 1HD2 LEU 62 -7.040 8.607 5.419 497 HD23 LEU 62 2HD2 LEU 62 -6.107 7.117 5.273 498 H MET 63 H MET 63 -9.594 9.151 0.140 499 HA MET 63 HA MET 63 -11.031 11.473 1.083 500 HB2 MET 63 1HB MET 63 -11.005 10.110 -1.619 501 HB3 MET 63 2HB MET 63 -11.820 11.627 -1.270 502 HG2 MET 63 1HG MET 63 -9.684 12.667 -0.748 503 HG3 MET 63 2HG MET 63 -8.858 11.142 -1.066 504 HE1 MET 63 3HE MET 63 -7.803 13.382 -4.114 505 HE2 MET 63 1HE MET 63 -7.232 12.384 -2.775 506 HE3 MET 63 2HE MET 63 -8.063 13.906 -2.450 507 H GLY 64 H GLY 64 -11.585 8.146 0.876 508 HA2 GLY 64 1HA GLY 64 -13.446 7.005 1.694 509 HA3 GLY 64 2HA GLY 64 -14.356 8.508 1.657 510 H ASP 65 H ASP 65 -12.775 8.128 -1.255 511 HA ASP 65 HA ASP 65 -15.264 7.504 -2.577 512 HB2 ASP 65 1HB ASP 65 -12.527 8.201 -3.644 513 HB3 ASP 65 2HB ASP 65 -13.906 7.839 -4.677 514 H VAL 66 H VAL 66 -12.112 5.986 -2.149 515 HA VAL 66 HA VAL 66 -12.987 3.635 -3.627 516 HB VAL 66 HB VAL 66 -10.374 4.062 -2.164 517 HG11 VAL 66 1HG1 VAL 66 -9.567 2.240 -3.597 518 HG12 VAL 66 2HG1 VAL 66 -11.190 2.056 -4.263 519 HG13 VAL 66 3HG1 VAL 66 -10.894 1.722 -2.557 520 HG21 VAL 66 3HG2 VAL 66 -10.638 5.745 -3.902 521 HG22 VAL 66 1HG2 VAL 66 -11.029 4.489 -5.078 522 HG23 VAL 66 2HG2 VAL 66 -9.416 4.561 -4.368 523 H ALA 67 H ALA 67 -13.850 1.889 -2.676 524 HA ALA 67 HA ALA 67 -14.223 2.051 0.215 525 HB1 ALA 67 3HB ALA 67 -16.129 0.594 -0.109 526 HB2 ALA 67 1HB ALA 67 -15.714 0.398 -1.812 527 HB3 ALA 67 2HB ALA 67 -16.217 1.975 -1.202 528 H GLY 68 H GLY 68 -12.391 1.125 1.052 529 HA2 GLY 68 1HA GLY 68 -11.249 -0.599 2.028 530 HA3 GLY 68 2HA GLY 68 -12.753 -1.478 1.859 531 H GLU 69 H GLU 69 -12.939 -3.060 0.334 532 HA GLU 69 HA GLU 69 -10.539 -4.400 -0.247 533 HB2 GLU 69 1HB GLU 69 -13.384 -4.869 -1.095 534 HB3 GLU 69 2HB GLU 69 -12.071 -5.926 -1.600 535 HG2 GLU 69 1HG GLU 69 -11.542 -6.409 0.724 536 HG3 GLU 69 2HG GLU 69 -12.826 -5.322 1.250 537 H ILE 70 H ILE 70 -12.486 -2.240 -2.187 538 HA ILE 70 HA ILE 70 -11.425 -2.815 -4.717 539 HB ILE 70 HB ILE 70 -12.200 -0.089 -3.646 540 HG12 ILE 70 1HG1 ILE 70 -13.883 -2.121 -5.134 541 HG13 ILE 70 2HG1 ILE 70 -13.989 -1.803 -3.407 542 HG21 ILE 70 1HG2 ILE 70 -11.998 -1.120 -6.477 543 HG22 ILE 70 2HG2 ILE 70 -10.918 0.045 -5.709 544 HG23 ILE 70 3HG2 ILE 70 -12.605 0.468 -6.004 545 HD11 ILE 70 3HD1 ILE 70 -15.768 -0.691 -4.629 546 HD12 ILE 70 1HD1 ILE 70 -14.576 0.174 -5.600 547 HD13 ILE 70 2HD1 ILE 70 -14.694 0.484 -3.867 548 H ALA 71 H ALA 71 -10.286 -0.650 -2.158 549 HA ALA 71 HA ALA 71 -7.950 0.218 -3.517 550 HB1 ALA 71 3HB ALA 71 -8.935 1.486 -1.666 551 HB2 ALA 71 1HB ALA 71 -7.244 1.090 -1.353 552 HB3 ALA 71 2HB ALA 71 -8.525 0.178 -0.555 553 H ARG 72 H ARG 72 -8.687 -2.434 -1.341 554 HA ARG 72 HA ARG 72 -6.074 -3.235 -0.729 555 HB2 ARG 72 1HB ARG 72 -7.777 -4.191 0.581 556 HB3 ARG 72 2HB ARG 72 -8.690 -4.715 -0.827 557 HG2 ARG 72 1HG ARG 72 -7.006 -6.400 -1.317 558 HG3 ARG 72 2HG ARG 72 -6.044 -5.854 0.056 559 HD2 ARG 72 1HD ARG 72 -7.522 -6.721 1.605 560 HD3 ARG 72 2HD ARG 72 -8.876 -6.706 0.475 561 HE ARG 72 HE ARG 72 -7.723 -8.590 -0.678 562 HH11 ARG 72 1HH1 ARG 72 -7.026 -7.951 2.706 563 HH12 ARG 72 2HH1 ARG 72 -6.616 -9.600 3.064 564 HH21 ARG 72 1HH2 ARG 72 -7.191 -10.764 -0.195 565 HH22 ARG 72 2HH2 ARG 72 -6.735 -11.206 1.427 566 H THR 73 H THR 73 -8.274 -4.564 -3.215 567 HA THR 73 HA THR 73 -6.380 -6.348 -4.280 568 HB THR 73 HB THR 73 -8.745 -5.149 -5.729 569 HG1 THR 73 HG1 THR 73 -9.964 -6.732 -4.749 570 HG21 THR 73 3HG2 THR 73 -7.326 -7.800 -6.037 571 HG22 THR 73 1HG2 THR 73 -7.223 -6.439 -7.154 572 HG23 THR 73 2HG2 THR 73 -8.755 -7.284 -6.934 573 H ALA 74 H ALA 74 -7.205 -3.015 -5.125 574 HA ALA 74 HA ALA 74 -5.597 -2.855 -7.449 575 HB1 ALA 74 3HB ALA 74 -7.361 -1.239 -6.965 576 HB2 ALA 74 1HB ALA 74 -5.810 -0.433 -7.200 577 HB3 ALA 74 2HB ALA 74 -6.453 -0.654 -5.571 578 H PHE 75 H PHE 75 -4.975 -2.126 -4.035 579 HA PHE 75 HA PHE 75 -2.346 -1.166 -4.344 580 HB2 PHE 75 1HB PHE 75 -3.679 -0.892 -2.272 581 HB3 PHE 75 2HB PHE 75 -3.546 -2.621 -1.973 582 HD1 PHE 75 HD2 PHE 75 -1.599 0.504 -2.269 583 HD2 PHE 75 HD1 PHE 75 -1.659 -3.521 -0.887 584 HE1 PHE 75 HE2 PHE 75 0.505 0.892 -1.058 585 HE2 PHE 75 HE1 PHE 75 0.446 -3.139 0.326 586 HZ PHE 75 HZ PHE 75 1.531 -0.930 0.242 587 H VAL 76 H VAL 76 -3.654 -4.408 -3.903 588 HA VAL 76 HA VAL 76 -1.240 -5.805 -3.631 589 HB VAL 76 HB VAL 76 -3.852 -6.731 -4.847 590 HG11 VAL 76 1HG1 VAL 76 -1.500 -8.372 -3.903 591 HG12 VAL 76 2HG1 VAL 76 -2.002 -8.158 -5.579 592 HG13 VAL 76 3HG1 VAL 76 -3.052 -9.007 -4.446 593 HG21 VAL 76 3HG2 VAL 76 -4.057 -6.032 -2.528 594 HG22 VAL 76 1HG2 VAL 76 -2.699 -7.063 -2.079 595 HG23 VAL 76 2HG2 VAL 76 -4.201 -7.784 -2.656 596 H ALA 77 H ALA 77 -2.993 -4.721 -6.499 597 HA ALA 77 HA ALA 77 -1.413 -6.072 -8.409 598 HB1 ALA 77 3HB ALA 77 -2.345 -4.513 -10.029 599 HB2 ALA 77 1HB ALA 77 -2.928 -3.480 -8.723 600 HB3 ALA 77 2HB ALA 77 -3.599 -5.098 -8.936 601 H ALA 78 H ALA 78 -1.091 -2.939 -6.834 602 HA ALA 78 HA ALA 78 1.150 -2.077 -8.378 603 HB1 ALA 78 3HB ALA 78 1.347 -0.290 -6.732 604 HB2 ALA 78 1HB ALA 78 0.200 -1.119 -5.680 605 HB3 ALA 78 2HB ALA 78 -0.330 -0.492 -7.240 606 H SER 79 H SER 79 0.796 -3.450 -5.116 607 HA SER 79 HA SER 79 3.575 -3.474 -4.544 608 HB2 SER 79 1HB SER 79 2.820 -5.163 -2.749 609 HB3 SER 79 2HB SER 79 2.166 -3.526 -2.668 610 HG SER 79 HG SER 79 0.247 -4.244 -3.462 611 H ARG 80 H ARG 80 1.473 -5.619 -6.269 612 HA ARG 80 HA ARG 80 3.001 -7.954 -6.352 613 HB2 ARG 80 1HB ARG 80 0.765 -7.891 -7.254 614 HB3 ARG 80 2HB ARG 80 1.223 -6.670 -8.430 615 HG2 ARG 80 1HG ARG 80 2.777 -8.371 -9.433 616 HG3 ARG 80 2HG ARG 80 2.020 -9.565 -8.374 617 HD2 ARG 80 1HD ARG 80 1.000 -9.558 -10.607 618 HD3 ARG 80 2HD ARG 80 -0.155 -9.089 -9.358 619 HE ARG 80 HE ARG 80 1.197 -6.893 -10.672 620 HH11 ARG 80 1HH1 ARG 80 -1.603 -8.982 -10.654 621 HH12 ARG 80 2HH1 ARG 80 -2.596 -7.867 -11.549 622 HH21 ARG 80 1HH2 ARG 80 -0.105 -5.432 -11.871 623 HH22 ARG 80 2HH2 ARG 80 -1.745 -5.868 -12.234 624 H GLN 81 H GLN 81 3.123 -5.050 -8.354 625 HA GLN 81 HA GLN 81 5.065 -5.927 -10.190 626 HB2 GLN 81 1HB GLN 81 3.570 -3.988 -10.535 627 HB3 GLN 81 2HB GLN 81 4.436 -3.110 -9.284 628 HG2 GLN 81 1HG GLN 81 6.448 -3.121 -10.627 629 HG3 GLN 81 2HG GLN 81 5.643 -4.091 -11.860 630 HE21 GLN 81 2HE2 GLN 81 6.871 -1.440 -12.053 631 HE22 GLN 81 1HE2 GLN 81 5.622 -0.391 -12.633 632 H ALA 82 H ALA 82 5.297 -4.407 -7.039 633 HA ALA 82 HA ALA 82 8.180 -4.127 -7.227 634 HB1 ALA 82 3HB ALA 82 8.013 -3.114 -5.016 635 HB2 ALA 82 1HB ALA 82 6.307 -3.554 -4.935 636 HB3 ALA 82 2HB ALA 82 6.860 -2.385 -6.134 637 H HIS 83 H HIS 83 6.130 -6.615 -6.596 638 HA HIS 83 HA HIS 83 6.271 -8.652 -5.633 639 HB2 HIS 83 1HB HIS 83 9.212 -7.995 -5.754 640 HB3 HIS 83 2HB HIS 83 8.609 -9.544 -5.173 641 HD1 HIS 83 HD1 HIS 83 7.843 -11.242 -6.910 642 HD2 HIS 83 HD2 HIS 83 8.772 -7.520 -8.534 643 HE1 HIS 83 HE1 HIS 83 7.841 -11.563 -9.404 644 HE2 HIS 83 HE2 HIS 83 8.312 -9.282 -10.373 645 H CYS 84 H CYS 84 5.300 -7.007 -3.936 646 HA CYS 84 HA CYS 84 6.475 -7.855 -1.392 647 HB2 CYS 84 1HB CYS 84 7.108 -5.495 -1.746 648 HB3 CYS 84 2HB CYS 84 5.415 -5.077 -1.974 649 HG CYS 84 HG CYS 84 6.853 -6.162 0.941 650 H LEU 85 H LEU 85 4.874 -9.498 -1.490 651 HA LEU 85 HA LEU 85 2.127 -8.541 -1.031 652 HB2 LEU 85 1HB LEU 85 2.995 -10.834 -2.787 653 HB3 LEU 85 2HB LEU 85 1.337 -10.547 -2.300 654 HG LEU 85 HG LEU 85 3.005 -8.651 -3.949 655 HD11 LEU 85 1HD1 LEU 85 0.769 -10.507 -4.760 656 HD12 LEU 85 2HD1 LEU 85 2.474 -10.703 -5.167 657 HD13 LEU 85 3HD1 LEU 85 1.568 -9.331 -5.804 658 HD21 LEU 85 3HD2 LEU 85 1.315 -7.535 -2.583 659 HD22 LEU 85 1HD2 LEU 85 0.079 -8.611 -3.234 660 HD23 LEU 85 2HD2 LEU 85 0.905 -7.471 -4.297 661 H MET 86 H MET 86 1.114 -9.420 0.638 662 HA MET 86 HA MET 86 2.102 -11.985 1.697 663 HB2 MET 86 1HB MET 86 0.728 -9.692 3.095 664 HB3 MET 86 2HB MET 86 0.806 -11.302 3.796 665 HG2 MET 86 1HG MET 86 3.176 -9.612 3.038 666 HG3 MET 86 2HG MET 86 2.535 -9.809 4.667 667 HE1 MET 86 3HE MET 86 2.542 -12.154 5.979 668 HE2 MET 86 1HE MET 86 3.188 -13.645 5.292 669 HE3 MET 86 2HE MET 86 1.731 -12.920 4.613 670 H GLU 87 H GLU 87 0.882 -13.572 0.967 671 HA GLU 87 HA GLU 87 -1.730 -13.076 -0.089 672 HB2 GLU 87 1HB GLU 87 -0.165 -15.635 0.265 673 HB3 GLU 87 2HB GLU 87 -1.706 -15.518 -0.577 674 HG2 GLU 87 1HG GLU 87 -0.755 -14.079 -2.241 675 HG3 GLU 87 2HG GLU 87 0.764 -13.990 -1.354 676 H ASP 88 H ASP 88 -3.677 -13.777 0.648 677 HA ASP 88 HA ASP 88 -4.044 -13.872 3.455 678 HB2 ASP 88 1HB ASP 88 -5.655 -13.396 1.238 679 HB3 ASP 88 2HB ASP 88 -6.280 -14.910 1.883 680 H LYS 89 H LYS 89 -4.741 -15.622 4.763 681 HA LYS 89 HA LYS 89 -3.535 -18.114 3.978 682 HB2 LYS 89 1HB LYS 89 -4.995 -17.334 6.504 683 HB3 LYS 89 2HB LYS 89 -4.212 -18.889 6.252 684 HG2 LYS 89 1HG LYS 89 -2.078 -17.596 5.832 685 HG3 LYS 89 2HG LYS 89 -2.934 -16.180 6.446 686 HD2 LYS 89 1HD LYS 89 -3.353 -17.349 8.555 687 HD3 LYS 89 2HD LYS 89 -2.500 -18.766 7.940 688 HE2 LYS 89 1HE LYS 89 -0.477 -17.318 7.657 689 HE3 LYS 89 2HE LYS 89 -1.354 -16.034 8.490 690 HZ1 LYS 89 3HZ LYS 89 -0.625 -18.693 9.594 691 HZ2 LYS 89 1HZ LYS 89 -1.601 -17.561 10.397 692 HZ3 LYS 89 2HZ LYS 89 0.019 -17.193 10.055 693 H ALA 90 H ALA 90 -6.265 -16.919 2.973 694 HA ALA 90 HA ALA 90 -7.982 -19.221 3.314 695 HB1 ALA 90 3HB ALA 90 -9.504 -18.040 1.805 696 HB2 ALA 90 1HB ALA 90 -8.268 -16.819 1.507 697 HB3 ALA 90 2HB ALA 90 -8.967 -16.990 3.117 698 H GLU 91 H GLU 91 -5.370 -18.345 1.383 699 HA GLU 91 HA GLU 91 -6.163 -20.076 -0.842 700 HB2 GLU 91 1HB GLU 91 -3.804 -18.211 -0.544 701 HB3 GLU 91 2HB GLU 91 -4.181 -19.146 -1.984 702 HG2 GLU 91 1HG GLU 91 -6.308 -17.927 -2.189 703 HG3 GLU 91 2HG GLU 91 -5.864 -16.957 -0.783 704 H ALA 92 H ALA 92 -5.785 -22.139 -0.364 705 HA ALA 92 HA ALA 92 -4.777 -24.065 0.281 706 HB1 ALA 92 3HB ALA 92 -2.299 -22.649 -0.690 707 HB2 ALA 92 1HB ALA 92 -3.451 -23.518 -1.703 708 HB3 ALA 92 2HB ALA 92 -2.502 -24.391 -0.501 709 HA PRO 93 HA PRO 93 -3.125 -22.408 4.269 710 HB2 PRO 93 1HB PRO 93 -5.169 -22.946 5.878 711 HB3 PRO 93 2HB PRO 93 -5.235 -21.564 4.777 712 HG2 PRO 93 1HG PRO 93 -6.510 -24.252 4.522 713 HG3 PRO 93 2HG PRO 93 -7.165 -22.657 4.114 714 HD2 PRO 93 1HD PRO 93 -6.026 -24.450 2.310 715 HD3 PRO 93 2HD PRO 93 -6.265 -22.715 2.026 716 H ASN 94 H ASN 94 -3.177 -23.620 6.507 717 HA ASN 94 HA ASN 94 -2.886 -26.512 6.029 718 HB2 ASN 94 1HB ASN 94 -1.343 -24.712 7.910 719 HB3 ASN 94 2HB ASN 94 -1.275 -26.470 7.974 720 HD21 ASN 94 2HD2 ASN 94 0.825 -24.505 7.436 721 HD22 ASN 94 1HD2 ASN 94 1.484 -24.917 5.891 722 H THR 95 H THR 95 -4.286 -27.738 7.101 723 HA THR 95 HA THR 95 -6.237 -26.644 8.825 724 HB THR 95 HB THR 95 -5.482 -29.560 8.525 725 HG1 THR 95 HG1 THR 95 -6.868 -29.582 6.770 726 HG21 THR 95 3HG2 THR 95 -7.002 -29.114 10.393 727 HG22 THR 95 1HG2 THR 95 -7.837 -29.968 9.094 728 HG23 THR 95 2HG2 THR 95 -8.084 -28.235 9.311 729 H ILE 96 H ILE 96 -3.343 -28.599 9.399 730 HA ILE 96 HA ILE 96 -3.650 -28.268 12.279 731 HB ILE 96 HB ILE 96 -2.991 -30.476 11.596 732 HG12 ILE 96 1HG1 ILE 96 -0.614 -29.014 12.768 733 HG13 ILE 96 2HG1 ILE 96 -1.990 -29.636 13.676 734 HG21 ILE 96 1HG2 ILE 96 -0.904 -30.926 10.387 735 HG22 ILE 96 2HG2 ILE 96 -0.654 -29.191 10.195 736 HG23 ILE 96 3HG2 ILE 96 -2.037 -29.972 9.429 737 HD11 ILE 96 3HD1 ILE 96 -1.378 -31.913 13.017 738 HD12 ILE 96 1HD1 ILE 96 -0.078 -31.100 13.890 739 HD13 ILE 96 2HD1 ILE 96 0.012 -31.273 12.138 740 H ALA 97 H ALA 97 -2.594 -26.776 13.427 741 HA ALA 97 HA ALA 97 -1.193 -24.685 12.114 742 HB1 ALA 97 3HB ALA 97 -1.402 -25.273 15.063 743 HB2 ALA 97 1HB ALA 97 -2.544 -24.322 14.116 744 HB3 ALA 97 2HB ALA 97 -0.893 -23.748 14.341 745 H SER 98 H SER 98 -0.182 -27.640 13.531 746 HA SER 98 HA SER 98 2.611 -26.804 13.660 747 HB2 SER 98 1HB SER 98 1.454 -29.525 14.301 748 HB3 SER 98 2HB SER 98 3.009 -28.869 14.813 749 HG SER 98 HG SER 98 0.876 -28.807 16.210 750 H GLY 99 H GLY 99 0.821 -27.326 11.195 751 HA2 GLY 99 1HA GLY 99 1.950 -29.620 9.900 752 HA3 GLY 99 2HA GLY 99 0.923 -28.401 9.160 753 H SER 100 H SER 100 4.077 -29.569 9.560 754 HA SER 100 HA SER 100 5.080 -27.755 7.548 755 HB2 SER 100 1HB SER 100 6.489 -27.920 10.228 756 HB3 SER 100 2HB SER 100 6.984 -26.961 8.834 757 HG SER 100 HG SER 100 4.500 -26.274 9.378 Start of MODEL 11 1 H1 MET 1 1H MET 1 -8.855 12.048 6.078 2 H2 MET 1 2H MET 1 -7.668 12.645 5.036 3 H3 MET 1 3H MET 1 -9.293 13.023 4.758 4 HA MET 1 HA MET 1 -8.266 14.931 5.704 5 HB2 MET 1 1HB MET 1 -9.761 13.508 7.919 6 HB3 MET 1 2HB MET 1 -9.623 15.243 7.681 7 HG2 MET 1 1HG MET 1 -10.948 15.090 5.653 8 HG3 MET 1 2HG MET 1 -11.056 13.342 5.840 9 HE1 MET 1 3HE MET 1 -13.652 14.956 5.391 10 HE2 MET 1 1HE MET 1 -14.712 14.335 6.657 11 HE3 MET 1 2HE MET 1 -13.661 13.231 5.770 12 H GLU 2 H GLU 2 -7.720 15.595 8.240 13 HA GLU 2 HA GLU 2 -5.348 14.002 8.920 14 HB2 GLU 2 1HB GLU 2 -6.045 16.865 9.613 15 HB3 GLU 2 2HB GLU 2 -4.589 16.029 10.136 16 HG2 GLU 2 1HG GLU 2 -3.855 15.809 7.840 17 HG3 GLU 2 2HG GLU 2 -5.348 16.551 7.269 18 H VAL 3 H VAL 3 -5.116 13.167 10.963 19 HA VAL 3 HA VAL 3 -7.636 13.092 12.476 20 HB VAL 3 HB VAL 3 -5.374 11.100 12.627 21 HG11 VAL 3 1HG1 VAL 3 -8.257 10.956 13.495 22 HG12 VAL 3 2HG1 VAL 3 -6.856 11.110 14.554 23 HG13 VAL 3 3HG1 VAL 3 -7.085 9.642 13.602 24 HG21 VAL 3 3HG2 VAL 3 -6.244 11.149 10.349 25 HG22 VAL 3 1HG2 VAL 3 -7.887 10.966 10.965 26 HG23 VAL 3 2HG2 VAL 3 -6.718 9.662 11.172 27 H GLN 4 H GLN 4 -7.746 13.739 14.517 28 HA GLN 4 HA GLN 4 -5.557 15.082 15.761 29 HB2 GLN 4 1HB GLN 4 -8.209 14.249 16.974 30 HB3 GLN 4 2HB GLN 4 -7.095 15.437 17.633 31 HG2 GLN 4 1HG GLN 4 -8.607 16.814 16.641 32 HG3 GLN 4 2HG GLN 4 -7.473 16.605 15.310 33 HE21 GLN 4 2HE2 GLN 4 -10.262 17.332 15.200 34 HE22 GLN 4 1HE2 GLN 4 -11.045 16.125 14.227 35 H SER 5 H SER 5 -7.483 12.297 16.891 36 HA SER 5 HA SER 5 -5.091 11.293 18.263 37 HB2 SER 5 1HB SER 5 -8.003 10.523 18.604 38 HB3 SER 5 2HB SER 5 -6.657 9.854 19.526 39 HG SER 5 HG SER 5 -6.229 11.991 20.280 40 H MET 6 H MET 6 -3.971 9.810 17.203 41 HA MET 6 HA MET 6 -4.932 8.771 14.733 42 HB2 MET 6 1HB MET 6 -2.388 8.208 16.255 43 HB3 MET 6 2HB MET 6 -2.715 7.651 14.620 44 HG2 MET 6 1HG MET 6 -2.928 9.988 13.888 45 HG3 MET 6 2HG MET 6 -2.539 10.516 15.523 46 HE1 MET 6 3HE MET 6 -1.216 8.732 12.287 47 HE2 MET 6 1HE MET 6 -1.002 7.494 13.526 48 HE3 MET 6 2HE MET 6 0.406 8.253 12.783 49 H LEU 7 H LEU 7 -5.591 7.729 17.775 50 HA LEU 7 HA LEU 7 -5.549 4.921 17.450 51 HB2 LEU 7 1HB LEU 7 -7.367 6.708 19.067 52 HB3 LEU 7 2HB LEU 7 -7.408 4.957 19.148 53 HG LEU 7 HG LEU 7 -5.035 6.679 19.877 54 HD11 LEU 7 1HD1 LEU 7 -5.531 6.018 22.174 55 HD12 LEU 7 2HD1 LEU 7 -6.973 5.165 21.622 56 HD13 LEU 7 3HD1 LEU 7 -6.869 6.919 21.463 57 HD21 LEU 7 3HD2 LEU 7 -5.482 3.706 20.144 58 HD22 LEU 7 1HD2 LEU 7 -4.084 4.599 20.744 59 HD23 LEU 7 2HD2 LEU 7 -4.385 4.492 19.012 60 H LEU 8 H LEU 8 -7.644 7.445 16.319 61 HA LEU 8 HA LEU 8 -9.469 5.509 15.092 62 HB2 LEU 8 1HB LEU 8 -10.507 7.412 16.217 63 HB3 LEU 8 2HB LEU 8 -9.554 8.528 15.260 64 HG LEU 8 HG LEU 8 -10.735 7.717 13.219 65 HD11 LEU 8 1HD1 LEU 8 -11.392 5.515 14.017 66 HD12 LEU 8 2HD1 LEU 8 -12.799 6.439 13.488 67 HD13 LEU 8 3HD1 LEU 8 -12.462 6.254 15.208 68 HD21 LEU 8 3HD2 LEU 8 -11.433 9.751 14.349 69 HD22 LEU 8 1HD2 LEU 8 -12.475 8.815 15.423 70 HD23 LEU 8 2HD2 LEU 8 -12.827 8.893 13.696 71 H ASN 9 H ASN 9 -9.347 5.047 12.953 72 HA ASN 9 HA ASN 9 -7.178 6.305 11.466 73 HB2 ASN 9 1HB ASN 9 -7.706 3.746 11.553 74 HB3 ASN 9 2HB ASN 9 -8.930 4.136 10.348 75 HD21 ASN 9 2HD2 ASN 9 -5.568 3.819 11.013 76 HD22 ASN 9 1HD2 ASN 9 -5.009 4.004 9.390 77 H ASP 10 H ASP 10 -7.443 7.635 9.763 78 HA ASP 10 HA ASP 10 -9.691 9.192 9.455 79 HB2 ASP 10 1HB ASP 10 -7.459 9.785 8.596 80 HB3 ASP 10 2HB ASP 10 -7.633 8.570 7.334 81 H VAL 11 H VAL 11 -8.648 6.630 7.255 82 HA VAL 11 HA VAL 11 -11.468 5.973 6.839 83 HB VAL 11 HB VAL 11 -10.872 7.069 4.806 84 HG11 VAL 11 1HG1 VAL 11 -8.436 5.300 4.684 85 HG12 VAL 11 2HG1 VAL 11 -8.458 7.035 5.009 86 HG13 VAL 11 3HG1 VAL 11 -8.950 6.427 3.428 87 HG21 VAL 11 3HG2 VAL 11 -12.187 5.055 4.506 88 HG22 VAL 11 1HG2 VAL 11 -10.720 4.085 4.390 89 HG23 VAL 11 2HG2 VAL 11 -11.093 5.275 3.139 90 H LYS 12 H LYS 12 -11.502 4.280 8.178 91 HA LYS 12 HA LYS 12 -9.306 2.454 8.406 92 HB2 LYS 12 1HB LYS 12 -10.894 3.191 10.263 93 HB3 LYS 12 2HB LYS 12 -12.070 2.099 9.550 94 HG2 LYS 12 1HG LYS 12 -10.902 0.214 10.167 95 HG3 LYS 12 2HG LYS 12 -9.364 1.076 10.260 96 HD2 LYS 12 1HD LYS 12 -10.205 2.283 12.251 97 HD3 LYS 12 2HD LYS 12 -11.680 1.319 12.178 98 HE2 LYS 12 1HE LYS 12 -8.938 0.099 12.411 99 HE3 LYS 12 2HE LYS 12 -9.906 0.548 13.814 100 HZ1 LYS 12 3HZ LYS 12 -11.621 -0.963 13.099 101 HZ2 LYS 12 1HZ LYS 12 -10.149 -1.794 13.227 102 HZ3 LYS 12 2HZ LYS 12 -10.754 -1.364 11.700 103 H TRP 13 H TRP 13 -9.225 0.313 7.780 104 HA TRP 13 HA TRP 13 -10.537 -0.130 5.266 105 HB2 TRP 13 1HB TRP 13 -8.178 -1.091 6.604 106 HB3 TRP 13 2HB TRP 13 -9.122 -2.449 5.997 107 HD1 TRP 13 HD1 TRP 13 -10.195 -1.179 3.323 108 HE1 TRP 13 HE1 TRP 13 -8.590 -0.746 1.367 109 HE3 TRP 13 HE3 TRP 13 -5.792 -1.083 5.906 110 HZ2 TRP 13 HZ2 TRP 13 -5.821 -0.417 0.965 111 HZ3 TRP 13 HZ3 TRP 13 -3.706 -0.709 4.660 112 HH2 TRP 13 HH2 TRP 13 -3.719 -0.383 2.240 113 H GLU 14 H GLU 14 -12.167 -1.440 4.811 114 HA GLU 14 HA GLU 14 -13.752 -2.678 6.785 115 HB2 GLU 14 1HB GLU 14 -14.824 -3.836 4.848 116 HB3 GLU 14 2HB GLU 14 -14.729 -2.090 4.662 117 HG2 GLU 14 1HG GLU 14 -12.885 -2.283 3.153 118 HG3 GLU 14 2HG GLU 14 -12.757 -4.013 3.460 119 H LYS 15 H LYS 15 -11.229 -3.819 4.645 120 HA LYS 15 HA LYS 15 -11.009 -6.264 6.246 121 HB2 LYS 15 1HB LYS 15 -10.563 -6.076 3.255 122 HB3 LYS 15 2HB LYS 15 -10.418 -7.523 4.241 123 HG2 LYS 15 1HG LYS 15 -12.842 -7.335 4.768 124 HG3 LYS 15 2HG LYS 15 -12.939 -5.992 3.628 125 HD2 LYS 15 1HD LYS 15 -12.170 -7.471 1.831 126 HD3 LYS 15 2HD LYS 15 -12.077 -8.811 2.972 127 HE2 LYS 15 1HE LYS 15 -14.125 -9.116 1.885 128 HE3 LYS 15 2HE LYS 15 -14.552 -8.372 3.423 129 HZ1 LYS 15 3HZ LYS 15 -14.642 -6.205 2.235 130 HZ2 LYS 15 1HZ LYS 15 -15.785 -7.328 1.678 131 HZ3 LYS 15 2HZ LYS 15 -14.386 -7.034 0.775 132 HA PRO 16 HA PRO 16 -7.136 -4.021 7.031 133 HB2 PRO 16 1HB PRO 16 -6.747 -6.665 8.375 134 HB3 PRO 16 2HB PRO 16 -6.387 -5.037 8.967 135 HG2 PRO 16 1HG PRO 16 -8.552 -6.319 9.810 136 HG3 PRO 16 2HG PRO 16 -8.611 -4.582 9.457 137 HD2 PRO 16 1HD PRO 16 -9.692 -6.873 7.889 138 HD3 PRO 16 2HD PRO 16 -10.318 -5.219 8.048 139 H VAL 17 H VAL 17 -4.920 -4.339 6.526 140 HA VAL 17 HA VAL 17 -4.455 -6.423 4.493 141 HB VAL 17 HB VAL 17 -3.592 -3.532 4.282 142 HG11 VAL 17 1HG1 VAL 17 -2.884 -4.141 2.012 143 HG12 VAL 17 2HG1 VAL 17 -3.299 -5.824 2.342 144 HG13 VAL 17 3HG1 VAL 17 -1.999 -5.041 3.242 145 HG21 VAL 17 3HG2 VAL 17 -5.756 -5.062 2.853 146 HG22 VAL 17 1HG2 VAL 17 -5.168 -3.471 2.359 147 HG23 VAL 17 2HG2 VAL 17 -5.956 -3.675 3.923 148 H THR 18 H THR 18 -2.661 -7.558 4.790 149 HA THR 18 HA THR 18 -0.573 -6.502 6.582 150 HB THR 18 HB THR 18 -0.973 -9.367 5.711 151 HG1 THR 18 HG1 THR 18 -2.210 -7.857 7.725 152 HG21 THR 18 3HG2 THR 18 0.536 -8.144 8.026 153 HG22 THR 18 1HG2 THR 18 1.256 -8.830 6.571 154 HG23 THR 18 2HG2 THR 18 0.380 -9.870 7.695 155 H ILE 19 H ILE 19 1.324 -5.950 5.695 156 HA ILE 19 HA ILE 19 1.967 -7.006 3.014 157 HB ILE 19 HB ILE 19 1.430 -4.586 3.014 158 HG12 ILE 19 1HG1 ILE 19 4.369 -5.067 2.504 159 HG13 ILE 19 2HG1 ILE 19 3.086 -5.578 1.413 160 HG21 ILE 19 1HG2 ILE 19 2.148 -4.035 5.264 161 HG22 ILE 19 2HG2 ILE 19 2.955 -2.999 4.087 162 HG23 ILE 19 3HG2 ILE 19 3.826 -4.345 4.823 163 HD11 ILE 19 3HD1 ILE 19 3.714 -2.749 2.208 164 HD12 ILE 19 1HD1 ILE 19 2.416 -3.250 1.123 165 HD13 ILE 19 2HD1 ILE 19 4.101 -3.515 0.664 166 H SER 20 H SER 20 4.073 -7.696 2.643 167 HA SER 20 HA SER 20 5.773 -7.917 5.025 168 HB2 SER 20 1HB SER 20 5.196 -10.064 4.004 169 HB3 SER 20 2HB SER 20 5.826 -9.516 2.450 170 HG SER 20 HG SER 20 7.880 -9.504 3.294 171 H LEU 21 H LEU 21 7.686 -6.901 5.113 172 HA LEU 21 HA LEU 21 8.607 -5.372 2.839 173 HB2 LEU 21 1HB LEU 21 9.629 -5.700 5.651 174 HB3 LEU 21 2HB LEU 21 10.550 -4.843 4.431 175 HG LEU 21 HG LEU 21 8.520 -3.334 4.146 176 HD11 LEU 21 1HD1 LEU 21 6.983 -3.200 6.034 177 HD12 LEU 21 2HD1 LEU 21 7.730 -4.633 6.744 178 HD13 LEU 21 3HD1 LEU 21 6.866 -4.756 5.209 179 HD21 LEU 21 3HD2 LEU 21 10.539 -2.623 5.302 180 HD22 LEU 21 1HD2 LEU 21 9.948 -3.343 6.800 181 HD23 LEU 21 2HD2 LEU 21 9.101 -1.968 6.086 182 H GLN 22 H GLN 22 11.182 -5.495 2.594 183 HA GLN 22 HA GLN 22 11.625 -7.820 1.114 184 HB2 GLN 22 1HB GLN 22 12.764 -5.693 0.670 185 HB3 GLN 22 2HB GLN 22 13.660 -5.851 2.174 186 HG2 GLN 22 1HG GLN 22 14.585 -8.009 1.247 187 HG3 GLN 22 2HG GLN 22 13.884 -7.537 -0.299 188 HE21 GLN 22 2HE2 GLN 22 16.663 -7.951 0.509 189 HE22 GLN 22 1HE2 GLN 22 17.490 -6.475 0.123 190 H ASN 23 H ASN 23 12.324 -7.127 4.457 191 HA ASN 23 HA ASN 23 14.151 -9.395 4.651 192 HB2 ASN 23 1HB ASN 23 14.744 -7.229 5.719 193 HB3 ASN 23 2HB ASN 23 13.338 -7.382 6.766 194 HD21 ASN 23 2HD2 ASN 23 13.474 -8.603 8.568 195 HD22 ASN 23 1HD2 ASN 23 14.900 -9.456 9.067 196 H GLY 24 H GLY 24 10.935 -9.040 4.648 197 HA2 GLY 24 1HA GLY 24 9.320 -10.622 5.176 198 HA3 GLY 24 2HA GLY 24 10.523 -11.505 6.106 199 H ALA 25 H ALA 25 8.583 -8.553 6.162 200 HA ALA 25 HA ALA 25 8.159 -8.954 9.028 201 HB1 ALA 25 3HB ALA 25 9.956 -7.306 8.822 202 HB2 ALA 25 1HB ALA 25 8.488 -6.576 9.475 203 HB3 ALA 25 2HB ALA 25 8.928 -6.315 7.786 204 HA PRO 26 HA PRO 26 4.084 -8.278 7.238 205 HB2 PRO 26 1HB PRO 26 3.078 -9.249 9.787 206 HB3 PRO 26 2HB PRO 26 2.951 -9.984 8.189 207 HG2 PRO 26 1HG PRO 26 4.474 -11.029 10.175 208 HG3 PRO 26 2HG PRO 26 4.871 -11.210 8.457 209 HD2 PRO 26 1HD PRO 26 6.005 -9.302 10.475 210 HD3 PRO 26 2HD PRO 26 6.842 -10.238 9.215 211 H ARG 27 H ARG 27 3.724 -6.139 7.204 212 HA ARG 27 HA ARG 27 3.059 -4.803 9.732 213 HB2 ARG 27 1HB ARG 27 3.544 -3.700 6.964 214 HB3 ARG 27 2HB ARG 27 2.930 -2.728 8.294 215 HG2 ARG 27 1HG ARG 27 5.014 -3.433 9.566 216 HG3 ARG 27 2HG ARG 27 5.620 -4.018 8.015 217 HD2 ARG 27 1HD ARG 27 5.339 -1.783 7.063 218 HD3 ARG 27 2HD ARG 27 4.731 -1.200 8.613 219 HE ARG 27 HE ARG 27 7.413 -2.368 8.498 220 HH11 ARG 27 1HH1 ARG 27 5.354 0.438 8.928 221 HH12 ARG 27 2HH1 ARG 27 6.645 1.436 9.537 222 HH21 ARG 27 1HH2 ARG 27 9.104 -1.053 9.291 223 HH22 ARG 27 2HH2 ARG 27 8.763 0.594 9.738 224 H ILE 28 H ILE 28 1.007 -4.656 10.314 225 HA ILE 28 HA ILE 28 -1.033 -5.193 8.257 226 HB ILE 28 HB ILE 28 -1.285 -5.483 11.260 227 HG12 ILE 28 1HG1 ILE 28 -0.924 -7.603 9.128 228 HG13 ILE 28 2HG1 ILE 28 0.296 -7.115 10.299 229 HG21 ILE 28 1HG2 ILE 28 -3.360 -6.680 10.734 230 HG22 ILE 28 2HG2 ILE 28 -3.124 -6.327 9.021 231 HG23 ILE 28 3HG2 ILE 28 -3.402 -5.011 10.163 232 HD11 ILE 28 3HD1 ILE 28 -1.125 -7.927 12.108 233 HD12 ILE 28 1HD1 ILE 28 -0.759 -9.196 10.941 234 HD13 ILE 28 2HD1 ILE 28 -2.340 -8.418 10.928 235 H PHE 29 H PHE 29 -2.327 -3.599 7.698 236 HA PHE 29 HA PHE 29 -2.299 -1.148 9.311 237 HB2 PHE 29 1HB PHE 29 -3.266 -1.488 6.466 238 HB3 PHE 29 2HB PHE 29 -2.956 0.024 7.310 239 HD1 PHE 29 HD2 PHE 29 -0.443 0.142 8.296 240 HD2 PHE 29 HD1 PHE 29 -1.709 -2.144 4.934 241 HE1 PHE 29 HE2 PHE 29 1.861 0.139 7.433 242 HE2 PHE 29 HE1 PHE 29 0.590 -2.151 4.072 243 HZ PHE 29 HZ PHE 29 2.380 -1.009 5.317 244 H ASN 30 H ASN 30 -4.121 -0.334 10.183 245 HA ASN 30 HA ASN 30 -6.485 -2.017 10.171 246 HB2 ASN 30 1HB ASN 30 -6.031 0.638 11.561 247 HB3 ASN 30 2HB ASN 30 -7.356 -0.481 11.858 248 HD21 ASN 30 2HD2 ASN 30 -3.997 0.185 12.338 249 HD22 ASN 30 1HD2 ASN 30 -3.713 -1.045 13.527 250 H GLY 31 H GLY 31 -5.266 0.696 8.529 251 HA2 GLY 31 1HA GLY 31 -7.710 0.955 7.022 252 HA3 GLY 31 2HA GLY 31 -7.313 2.363 7.993 253 H VAL 32 H VAL 32 -7.475 2.969 5.553 254 HA VAL 32 HA VAL 32 -5.367 2.371 3.796 255 HB VAL 32 HB VAL 32 -7.125 4.823 3.781 256 HG11 VAL 32 1HG1 VAL 32 -6.610 4.894 1.393 257 HG12 VAL 32 2HG1 VAL 32 -5.539 3.507 1.579 258 HG13 VAL 32 3HG1 VAL 32 -5.147 5.037 2.365 259 HG21 VAL 32 3HG2 VAL 32 -8.530 3.565 2.213 260 HG22 VAL 32 1HG2 VAL 32 -8.459 2.780 3.791 261 HG23 VAL 32 2HG2 VAL 32 -7.510 2.144 2.444 262 H TYR 33 H TYR 33 -5.789 4.896 6.189 263 HA TYR 33 HA TYR 33 -3.858 6.676 5.223 264 HB2 TYR 33 1HB TYR 33 -5.611 7.225 6.919 265 HB3 TYR 33 2HB TYR 33 -4.683 6.319 8.112 266 HD1 TYR 33 HD2 TYR 33 -4.593 9.263 5.869 267 HD2 TYR 33 HD1 TYR 33 -2.847 7.305 9.216 268 HE1 TYR 33 HE2 TYR 33 -3.264 11.278 6.343 269 HE2 TYR 33 HE1 TYR 33 -1.509 9.309 9.701 270 HH TYR 33 HH TYR 33 -0.643 11.280 8.477 271 H GLU 34 H GLU 34 -3.547 3.978 7.536 272 HA GLU 34 HA GLU 34 -0.853 4.481 8.228 273 HB2 GLU 34 1HB GLU 34 -2.418 1.899 8.167 274 HB3 GLU 34 2HB GLU 34 -0.800 2.046 8.831 275 HG2 GLU 34 1HG GLU 34 -1.604 3.595 10.511 276 HG3 GLU 34 2HG GLU 34 -3.229 3.515 9.826 277 H ALA 35 H ALA 35 -2.364 2.665 5.614 278 HA ALA 35 HA ALA 35 -0.022 1.521 4.529 279 HB1 ALA 35 3HB ALA 35 -2.283 0.751 3.969 280 HB2 ALA 35 1HB ALA 35 -1.355 1.151 2.522 281 HB3 ALA 35 2HB ALA 35 -2.586 2.266 3.119 282 H PHE 36 H PHE 36 -1.732 4.528 3.904 283 HA PHE 36 HA PHE 36 -0.154 5.480 1.780 284 HB2 PHE 36 1HB PHE 36 -2.370 6.396 2.355 285 HB3 PHE 36 2HB PHE 36 -1.716 7.039 3.856 286 HD1 PHE 36 HD1 PHE 36 -1.304 7.241 0.166 287 HD2 PHE 36 HD2 PHE 36 -0.874 9.199 3.922 288 HE1 PHE 36 HE1 PHE 36 -0.729 9.332 -0.994 289 HE2 PHE 36 HE2 PHE 36 -0.295 11.294 2.766 290 HZ PHE 36 HZ PHE 36 -0.223 11.362 0.307 291 H ASP 37 H ASP 37 0.059 5.921 5.274 292 HA ASP 37 HA ASP 37 2.263 7.690 5.250 293 HB2 ASP 37 1HB ASP 37 0.822 7.482 7.206 294 HB3 ASP 37 2HB ASP 37 1.297 5.799 7.405 295 H PHE 38 H PHE 38 2.018 4.156 5.515 296 HA PHE 38 HA PHE 38 4.751 3.586 5.811 297 HB2 PHE 38 1HB PHE 38 3.040 1.871 6.129 298 HB3 PHE 38 2HB PHE 38 2.586 1.981 4.432 299 HD1 PHE 38 HD1 PHE 38 5.684 1.416 6.446 300 HD2 PHE 38 HD2 PHE 38 3.349 0.302 3.065 301 HE1 PHE 38 HE1 PHE 38 7.309 -0.348 5.905 302 HE2 PHE 38 HE2 PHE 38 4.973 -1.461 2.522 303 HZ PHE 38 HZ PHE 38 6.956 -1.787 3.942 304 H LEU 39 H LEU 39 2.761 3.954 2.893 305 HA LEU 39 HA LEU 39 4.642 3.372 0.941 306 HB2 LEU 39 1HB LEU 39 2.425 5.415 0.894 307 HB3 LEU 39 2HB LEU 39 3.323 4.907 -0.522 308 HG LEU 39 HG LEU 39 1.663 3.052 1.183 309 HD11 LEU 39 1HD1 LEU 39 0.040 3.134 -0.648 310 HD12 LEU 39 2HD1 LEU 39 1.009 4.372 -1.446 311 HD13 LEU 39 3HD1 LEU 39 0.251 4.713 0.109 312 HD21 LEU 39 3HD2 LEU 39 1.911 1.527 -0.716 313 HD22 LEU 39 1HD2 LEU 39 3.473 1.949 -0.014 314 HD23 LEU 39 2HD2 LEU 39 2.951 2.703 -1.521 315 H GLN 40 H GLN 40 4.268 6.288 2.832 316 HA GLN 40 HA GLN 40 6.239 7.719 1.261 317 HB2 GLN 40 1HB GLN 40 4.792 8.450 3.812 318 HB3 GLN 40 2HB GLN 40 5.894 9.516 2.953 319 HG2 GLN 40 1HG GLN 40 4.418 9.506 1.023 320 HG3 GLN 40 2HG GLN 40 3.325 8.401 1.855 321 HE21 GLN 40 2HE2 GLN 40 2.968 11.156 0.818 322 HE22 GLN 40 1HE2 GLN 40 2.369 12.069 2.161 323 H HIS 41 H HIS 41 6.054 5.924 4.235 324 HA HIS 41 HA HIS 41 8.577 6.977 5.189 325 HB2 HIS 41 1HB HIS 41 6.546 5.100 6.368 326 HB3 HIS 41 2HB HIS 41 8.121 5.341 7.114 327 HD1 HIS 41 HD1 HIS 41 6.955 6.360 9.208 328 HD2 HIS 41 HD2 HIS 41 6.344 8.487 5.687 329 HE1 HIS 41 HE1 HIS 41 6.026 8.589 9.912 330 HE2 HIS 41 HE2 HIS 41 5.426 9.739 7.755 331 H GLU 42 H GLU 42 7.637 3.586 5.467 332 HA GLU 42 HA GLU 42 10.411 2.967 4.784 333 HB2 GLU 42 1HB GLU 42 8.348 1.613 6.484 334 HB3 GLU 42 2HB GLU 42 9.721 0.704 5.875 335 HG2 GLU 42 1HG GLU 42 10.131 1.495 8.124 336 HG3 GLU 42 2HG GLU 42 11.248 2.242 6.985 337 H TRP 43 H TRP 43 8.133 3.304 2.800 338 HA TRP 43 HA TRP 43 7.836 0.698 1.630 339 HB2 TRP 43 1HB TRP 43 6.182 2.456 1.219 340 HB3 TRP 43 2HB TRP 43 7.414 3.453 0.457 341 HD1 TRP 43 HD1 TRP 43 7.939 3.029 -2.054 342 HE1 TRP 43 HE1 TRP 43 6.898 1.525 -3.863 343 HE3 TRP 43 HE3 TRP 43 5.053 0.047 0.937 344 HZ2 TRP 43 HZ2 TRP 43 5.085 -0.643 -4.000 345 HZ3 TRP 43 HZ3 TRP 43 3.699 -1.713 -0.114 346 HH2 TRP 43 HH2 TRP 43 3.714 -2.052 -2.530 347 HA PRO 44 HA PRO 44 11.994 1.069 -0.007 348 HB2 PRO 44 1HB PRO 44 12.581 -1.527 -0.007 349 HB3 PRO 44 2HB PRO 44 12.379 -0.640 1.509 350 HG2 PRO 44 1HG PRO 44 10.542 -2.566 0.185 351 HG3 PRO 44 2HG PRO 44 10.792 -2.252 1.909 352 HD2 PRO 44 1HD PRO 44 8.719 -1.223 0.263 353 HD3 PRO 44 2HD PRO 44 9.087 -0.764 1.937 354 H ALA 45 H ALA 45 9.281 0.051 -1.637 355 HA ALA 45 HA ALA 45 10.611 -1.278 -3.830 356 HB1 ALA 45 3HB ALA 45 8.381 -1.998 -3.143 357 HB2 ALA 45 1HB ALA 45 8.402 -1.465 -4.824 358 HB3 ALA 45 2HB ALA 45 7.737 -0.415 -3.573 359 H ARG 46 H ARG 46 11.828 -0.059 -5.066 360 HA ARG 46 HA ARG 46 11.175 2.670 -5.699 361 HB2 ARG 46 1HB ARG 46 13.368 0.839 -6.692 362 HB3 ARG 46 2HB ARG 46 13.242 2.551 -7.081 363 HG2 ARG 46 1HG ARG 46 13.568 3.163 -4.792 364 HG3 ARG 46 2HG ARG 46 13.483 1.476 -4.282 365 HD2 ARG 46 1HD ARG 46 15.591 2.660 -6.084 366 HD3 ARG 46 2HD ARG 46 15.792 2.314 -4.367 367 HE ARG 46 HE ARG 46 15.417 0.292 -6.481 368 HH11 ARG 46 1HH1 ARG 46 16.495 1.207 -3.276 369 HH12 ARG 46 2HH1 ARG 46 17.265 -0.322 -2.959 370 HH21 ARG 46 1HH2 ARG 46 16.412 -1.703 -6.082 371 HH22 ARG 46 2HH2 ARG 46 17.232 -1.983 -4.571 372 H GLY 47 H GLY 47 10.832 3.466 -7.846 373 HA2 GLY 47 1HA GLY 47 10.473 2.213 -10.201 374 HA3 GLY 47 2HA GLY 47 9.032 1.721 -9.318 375 H ASP 48 H ASP 48 8.975 4.245 -7.838 376 HA ASP 48 HA ASP 48 8.333 6.406 -7.914 377 HB2 ASP 48 1HB ASP 48 10.098 6.345 -9.950 378 HB3 ASP 48 2HB ASP 48 8.634 6.774 -10.832 379 H ARG 49 H ARG 49 7.290 5.285 -11.161 380 HA ARG 49 HA ARG 49 4.782 6.544 -10.958 381 HB2 ARG 49 1HB ARG 49 5.789 4.358 -12.761 382 HB3 ARG 49 2HB ARG 49 4.137 4.953 -12.859 383 HG2 ARG 49 1HG ARG 49 5.034 7.231 -13.232 384 HG3 ARG 49 2HG ARG 49 6.656 6.538 -13.277 385 HD2 ARG 49 1HD ARG 49 4.397 5.754 -15.110 386 HD3 ARG 49 2HD ARG 49 5.672 6.898 -15.522 387 HE ARG 49 HE ARG 49 7.071 4.709 -14.820 388 HH11 ARG 49 1HH1 ARG 49 4.332 5.131 -16.972 389 HH12 ARG 49 2HH1 ARG 49 4.832 3.877 -18.059 390 HH21 ARG 49 1HH2 ARG 49 7.731 3.053 -16.264 391 HH22 ARG 49 2HH2 ARG 49 6.763 2.715 -17.675 392 H ALA 50 H ALA 50 5.618 3.091 -10.605 393 HA ALA 50 HA ALA 50 3.087 2.186 -9.842 394 HB1 ALA 50 3HB ALA 50 5.768 1.137 -8.929 395 HB2 ALA 50 1HB ALA 50 4.935 0.681 -10.415 396 HB3 ALA 50 2HB ALA 50 4.234 0.268 -8.849 397 H HIS 51 H HIS 51 5.594 3.786 -8.012 398 HA HIS 51 HA HIS 51 4.476 3.373 -5.436 399 HB2 HIS 51 1HB HIS 51 6.811 3.989 -5.670 400 HB3 HIS 51 2HB HIS 51 6.375 5.495 -6.467 401 HD1 HIS 51 HD1 HIS 51 6.457 7.460 -4.984 402 HD2 HIS 51 HD2 HIS 51 5.696 3.961 -2.868 403 HE1 HIS 51 HE1 HIS 51 6.348 8.138 -2.561 404 HE2 HIS 51 HE2 HIS 51 6.136 5.968 -1.296 405 H GLU 52 H GLU 52 4.279 6.045 -7.778 406 HA GLU 52 HA GLU 52 2.650 7.724 -6.209 407 HB2 GLU 52 1HB GLU 52 2.963 7.542 -9.205 408 HB3 GLU 52 2HB GLU 52 2.027 8.794 -8.400 409 HG2 GLU 52 1HG GLU 52 4.139 9.375 -7.140 410 HG3 GLU 52 2HG GLU 52 4.986 8.313 -8.265 411 H GLN 53 H GLN 53 1.844 5.137 -8.474 412 HA GLN 53 HA GLN 53 -0.909 5.561 -8.643 413 HB2 GLN 53 1HB GLN 53 0.627 2.959 -8.683 414 HB3 GLN 53 2HB GLN 53 -1.072 3.110 -9.112 415 HG2 GLN 53 1HG GLN 53 -0.410 4.696 -10.908 416 HG3 GLN 53 2HG GLN 53 1.275 4.348 -10.523 417 HE21 GLN 53 2HE2 GLN 53 -0.210 3.901 -12.990 418 HE22 GLN 53 1HE2 GLN 53 -0.089 2.203 -13.315 419 H ALA 54 H ALA 54 0.962 3.691 -6.280 420 HA ALA 54 HA ALA 54 -1.199 2.726 -4.777 421 HB1 ALA 54 3HB ALA 54 1.082 1.864 -4.576 422 HB2 ALA 54 1HB ALA 54 0.427 2.333 -3.008 423 HB3 ALA 54 2HB ALA 54 1.587 3.376 -3.827 424 H LEU 55 H LEU 55 0.641 5.741 -4.537 425 HA LEU 55 HA LEU 55 -0.638 6.683 -2.188 426 HB2 LEU 55 1HB LEU 55 1.031 7.934 -4.319 427 HB3 LEU 55 2HB LEU 55 0.114 8.982 -3.256 428 HG LEU 55 HG LEU 55 1.251 7.924 -1.305 429 HD11 LEU 55 1HD1 LEU 55 3.270 6.623 -1.679 430 HD12 LEU 55 2HD1 LEU 55 2.962 6.631 -3.415 431 HD13 LEU 55 3HD1 LEU 55 1.849 5.801 -2.327 432 HD21 LEU 55 3HD2 LEU 55 3.366 9.079 -1.622 433 HD22 LEU 55 1HD2 LEU 55 2.021 10.039 -2.234 434 HD23 LEU 55 2HD2 LEU 55 3.067 9.172 -3.359 435 H ARG 56 H ARG 56 -1.279 7.146 -5.637 436 HA ARG 56 HA ARG 56 -3.372 8.984 -5.432 437 HB2 ARG 56 1HB ARG 56 -2.347 8.481 -7.557 438 HB3 ARG 56 2HB ARG 56 -2.859 6.804 -7.458 439 HG2 ARG 56 1HG ARG 56 -4.203 8.111 -9.035 440 HG3 ARG 56 2HG ARG 56 -5.172 7.455 -7.716 441 HD2 ARG 56 1HD ARG 56 -5.221 9.592 -6.620 442 HD3 ARG 56 2HD ARG 56 -4.086 10.266 -7.791 443 HE ARG 56 HE ARG 56 -5.814 10.121 -9.462 444 HH11 ARG 56 1HH1 ARG 56 -6.869 9.624 -6.163 445 HH12 ARG 56 2HH1 ARG 56 -8.527 10.032 -6.489 446 HH21 ARG 56 1HH2 ARG 56 -7.999 10.643 -9.907 447 HH22 ARG 56 2HH2 ARG 56 -9.168 10.621 -8.615 448 H LEU 57 H LEU 57 -3.400 5.457 -5.302 449 HA LEU 57 HA LEU 57 -6.198 5.118 -5.171 450 HB2 LEU 57 1HB LEU 57 -4.010 3.369 -4.040 451 HB3 LEU 57 2HB LEU 57 -5.671 2.877 -4.316 452 HG LEU 57 HG LEU 57 -3.838 3.792 -6.528 453 HD11 LEU 57 1HD1 LEU 57 -4.431 0.979 -5.620 454 HD12 LEU 57 2HD1 LEU 57 -2.888 1.817 -5.468 455 HD13 LEU 57 3HD1 LEU 57 -3.527 1.433 -7.065 456 HD21 LEU 57 3HD2 LEU 57 -5.472 2.667 -7.960 457 HD22 LEU 57 1HD2 LEU 57 -6.224 3.953 -7.014 458 HD23 LEU 57 2HD2 LEU 57 -6.444 2.267 -6.544 459 H CYS 58 H CYS 58 -3.721 5.433 -2.664 460 HA CYS 58 HA CYS 58 -5.490 5.119 -0.476 461 HB2 CYS 58 1HB CYS 58 -2.794 6.478 -0.620 462 HB3 CYS 58 2HB CYS 58 -3.628 6.030 0.866 463 HG CYS 58 HG CYS 58 -2.182 3.987 -1.446 464 H ARG 59 H ARG 59 -4.215 7.958 -2.172 465 HA ARG 59 HA ARG 59 -5.374 9.914 -0.517 466 HB2 ARG 59 1HB ARG 59 -3.602 10.445 -2.097 467 HB3 ARG 59 2HB ARG 59 -4.643 10.027 -3.450 468 HG2 ARG 59 1HG ARG 59 -6.062 11.911 -3.016 469 HG3 ARG 59 2HG ARG 59 -5.190 12.275 -1.524 470 HD2 ARG 59 1HD ARG 59 -3.951 12.298 -4.274 471 HD3 ARG 59 2HD ARG 59 -4.555 13.731 -3.442 472 HE ARG 59 HE ARG 59 -2.853 12.798 -1.626 473 HH11 ARG 59 1HH1 ARG 59 -2.444 13.174 -5.093 474 HH12 ARG 59 2HH1 ARG 59 -0.726 13.425 -4.988 475 HH21 ARG 59 1HH2 ARG 59 -0.603 13.141 -1.491 476 HH22 ARG 59 2HH2 ARG 59 0.320 13.427 -2.938 477 H ALA 60 H ALA 60 -6.604 8.187 -3.335 478 HA ALA 60 HA ALA 60 -9.018 9.614 -3.633 479 HB1 ALA 60 3HB ALA 60 -8.451 6.722 -4.285 480 HB2 ALA 60 1HB ALA 60 -8.132 8.097 -5.345 481 HB3 ALA 60 2HB ALA 60 -9.789 7.686 -4.907 482 H SER 61 H SER 61 -8.091 6.893 -1.617 483 HA SER 61 HA SER 61 -10.702 6.354 -0.623 484 HB2 SER 61 1HB SER 61 -8.026 5.678 0.611 485 HB3 SER 61 2HB SER 61 -9.572 4.925 0.995 486 HG SER 61 HG SER 61 -8.093 4.766 -1.421 487 H LEU 62 H LEU 62 -8.017 8.381 0.394 488 HA LEU 62 HA LEU 62 -9.078 9.158 2.902 489 HB2 LEU 62 1HB LEU 62 -7.167 10.612 1.067 490 HB3 LEU 62 2HB LEU 62 -7.496 11.063 2.728 491 HG LEU 62 HG LEU 62 -6.263 8.442 1.872 492 HD11 LEU 62 1HD1 LEU 62 -4.770 10.308 1.422 493 HD12 LEU 62 2HD1 LEU 62 -4.185 9.347 2.780 494 HD13 LEU 62 3HD1 LEU 62 -4.983 10.892 3.072 495 HD21 LEU 62 3HD2 LEU 62 -7.505 8.288 3.971 496 HD22 LEU 62 1HD2 LEU 62 -6.614 9.671 4.608 497 HD23 LEU 62 2HD2 LEU 62 -5.768 8.166 4.247 498 H MET 63 H MET 63 -9.626 10.217 -0.374 499 HA MET 63 HA MET 63 -11.112 12.562 0.250 500 HB2 MET 63 1HB MET 63 -11.269 10.754 -2.175 501 HB3 MET 63 2HB MET 63 -12.036 12.330 -2.046 502 HG2 MET 63 1HG MET 63 -9.853 13.387 -1.838 503 HG3 MET 63 2HG MET 63 -9.073 11.810 -1.925 504 HE1 MET 63 3HE MET 63 -11.126 14.531 -3.845 505 HE2 MET 63 1HE MET 63 -12.180 13.126 -3.973 506 HE3 MET 63 2HE MET 63 -11.384 13.764 -5.410 507 H GLY 64 H GLY 64 -11.792 9.176 0.230 508 HA2 GLY 64 1HA GLY 64 -13.481 8.252 1.594 509 HA3 GLY 64 2HA GLY 64 -14.382 9.752 1.452 510 H ASP 65 H ASP 65 -13.238 8.772 -1.576 511 HA ASP 65 HA ASP 65 -15.962 7.838 -2.195 512 HB2 ASP 65 1HB ASP 65 -15.058 9.976 -3.262 513 HB3 ASP 65 2HB ASP 65 -13.980 8.938 -4.191 514 H VAL 66 H VAL 66 -13.640 6.225 -1.246 515 HA VAL 66 HA VAL 66 -13.737 4.217 -3.389 516 HB VAL 66 HB VAL 66 -11.285 4.978 -1.784 517 HG11 VAL 66 1HG1 VAL 66 -10.135 3.151 -2.946 518 HG12 VAL 66 2HG1 VAL 66 -11.664 2.653 -3.669 519 HG13 VAL 66 3HG1 VAL 66 -11.438 2.549 -1.922 520 HG21 VAL 66 3HG2 VAL 66 -11.691 6.377 -3.738 521 HG22 VAL 66 1HG2 VAL 66 -11.805 4.937 -4.751 522 HG23 VAL 66 2HG2 VAL 66 -10.274 5.350 -3.978 523 H ALA 67 H ALA 67 -14.333 2.252 -2.719 524 HA ALA 67 HA ALA 67 -14.869 1.735 0.051 525 HB1 ALA 67 3HB ALA 67 -16.309 0.824 -1.708 526 HB2 ALA 67 1HB ALA 67 -15.619 -0.459 -0.714 527 HB3 ALA 67 2HB ALA 67 -14.959 -0.135 -2.316 528 H GLY 68 H GLY 68 -13.886 0.080 1.317 529 HA2 GLY 68 1HA GLY 68 -11.119 0.376 1.422 530 HA3 GLY 68 2HA GLY 68 -12.039 -0.823 2.314 531 H GLU 69 H GLU 69 -12.977 -2.480 0.340 532 HA GLU 69 HA GLU 69 -10.669 -4.065 -0.058 533 HB2 GLU 69 1HB GLU 69 -12.869 -5.044 0.274 534 HB3 GLU 69 2HB GLU 69 -13.426 -4.358 -1.247 535 HG2 GLU 69 1HG GLU 69 -12.314 -5.884 -2.509 536 HG3 GLU 69 2HG GLU 69 -11.036 -6.107 -1.314 537 H ILE 70 H ILE 70 -12.240 -1.723 -2.106 538 HA ILE 70 HA ILE 70 -11.136 -2.512 -4.580 539 HB ILE 70 HB ILE 70 -11.786 0.289 -3.628 540 HG12 ILE 70 1HG1 ILE 70 -13.424 -1.696 -5.220 541 HG13 ILE 70 2HG1 ILE 70 -13.715 -1.230 -3.548 542 HG21 ILE 70 1HG2 ILE 70 -11.905 0.848 -6.017 543 HG22 ILE 70 2HG2 ILE 70 -11.366 -0.782 -6.418 544 HG23 ILE 70 3HG2 ILE 70 -10.290 0.313 -5.550 545 HD11 ILE 70 3HD1 ILE 70 -13.894 0.579 -5.947 546 HD12 ILE 70 1HD1 ILE 70 -14.177 1.057 -4.272 547 HD13 ILE 70 2HD1 ILE 70 -15.251 -0.107 -5.049 548 H ALA 71 H ALA 71 -10.031 -0.102 -2.211 549 HA ALA 71 HA ALA 71 -7.496 0.345 -3.320 550 HB1 ALA 71 3HB ALA 71 -8.338 0.539 -0.429 551 HB2 ALA 71 1HB ALA 71 -8.519 1.807 -1.643 552 HB3 ALA 71 2HB ALA 71 -6.909 1.281 -1.148 553 H ARG 72 H ARG 72 -8.652 -2.111 -1.051 554 HA ARG 72 HA ARG 72 -6.170 -3.104 -0.212 555 HB2 ARG 72 1HB ARG 72 -8.280 -3.734 0.883 556 HB3 ARG 72 2HB ARG 72 -8.761 -4.635 -0.551 557 HG2 ARG 72 1HG ARG 72 -6.929 -6.175 -0.248 558 HG3 ARG 72 2HG ARG 72 -6.327 -5.239 1.115 559 HD2 ARG 72 1HD ARG 72 -7.460 -6.970 2.150 560 HD3 ARG 72 2HD ARG 72 -8.653 -5.677 2.148 561 HE ARG 72 HE ARG 72 -9.839 -6.820 0.438 562 HH11 ARG 72 1HH1 ARG 72 -7.093 -8.593 1.683 563 HH12 ARG 72 2HH1 ARG 72 -7.646 -10.131 1.098 564 HH21 ARG 72 1HH2 ARG 72 -10.620 -8.859 -0.293 565 HH22 ARG 72 2HH2 ARG 72 -9.654 -10.287 -0.007 566 H THR 73 H THR 73 -8.237 -4.129 -2.905 567 HA THR 73 HA THR 73 -6.640 -6.273 -3.764 568 HB THR 73 HB THR 73 -8.421 -4.583 -5.532 569 HG1 THR 73 HG1 THR 73 -9.675 -5.193 -3.781 570 HG21 THR 73 3HG2 THR 73 -8.742 -6.677 -6.755 571 HG22 THR 73 1HG2 THR 73 -7.655 -7.505 -5.638 572 HG23 THR 73 2HG2 THR 73 -7.034 -6.239 -6.699 573 H ALA 74 H ALA 74 -6.729 -2.875 -4.751 574 HA ALA 74 HA ALA 74 -4.788 -3.142 -6.805 575 HB1 ALA 74 3HB ALA 74 -5.681 -0.673 -5.330 576 HB2 ALA 74 1HB ALA 74 -6.434 -1.342 -6.777 577 HB3 ALA 74 2HB ALA 74 -4.789 -0.711 -6.851 578 H PHE 75 H PHE 75 -4.591 -2.592 -3.368 579 HA PHE 75 HA PHE 75 -1.916 -1.630 -3.315 580 HB2 PHE 75 1HB PHE 75 -3.658 -1.463 -1.447 581 HB3 PHE 75 2HB PHE 75 -3.271 -3.141 -1.076 582 HD1 PHE 75 HD2 PHE 75 -1.834 0.257 -1.329 583 HD2 PHE 75 HD1 PHE 75 -1.385 -3.684 0.218 584 HE1 PHE 75 HE2 PHE 75 0.052 1.020 0.050 585 HE2 PHE 75 HE1 PHE 75 0.506 -2.925 1.601 586 HZ PHE 75 HZ PHE 75 1.226 -0.569 1.518 587 H VAL 76 H VAL 76 -3.386 -4.816 -3.253 588 HA VAL 76 HA VAL 76 -1.010 -6.287 -2.763 589 HB VAL 76 HB VAL 76 -3.510 -7.157 -4.234 590 HG11 VAL 76 1HG1 VAL 76 -1.326 -8.809 -2.965 591 HG12 VAL 76 2HG1 VAL 76 -1.628 -8.638 -4.694 592 HG13 VAL 76 3HG1 VAL 76 -2.817 -9.438 -3.666 593 HG21 VAL 76 3HG2 VAL 76 -4.179 -8.147 -2.093 594 HG22 VAL 76 1HG2 VAL 76 -4.009 -6.395 -1.982 595 HG23 VAL 76 2HG2 VAL 76 -2.751 -7.446 -1.331 596 H ALA 77 H ALA 77 -2.583 -5.055 -5.661 597 HA ALA 77 HA ALA 77 -0.870 -6.270 -7.550 598 HB1 ALA 77 3HB ALA 77 -2.354 -3.652 -7.770 599 HB2 ALA 77 1HB ALA 77 -3.007 -5.244 -8.159 600 HB3 ALA 77 2HB ALA 77 -1.679 -4.580 -9.109 601 H ALA 78 H ALA 78 -0.650 -3.257 -5.731 602 HA ALA 78 HA ALA 78 1.641 -2.233 -7.038 603 HB1 ALA 78 3HB ALA 78 0.140 -0.829 -5.716 604 HB2 ALA 78 1HB ALA 78 1.807 -0.699 -5.153 605 HB3 ALA 78 2HB ALA 78 0.643 -1.668 -4.249 606 H SER 79 H SER 79 1.228 -4.237 -4.140 607 HA SER 79 HA SER 79 3.999 -4.208 -3.465 608 HB2 SER 79 1HB SER 79 3.245 -6.229 -2.012 609 HB3 SER 79 2HB SER 79 2.604 -4.628 -1.644 610 HG SER 79 HG SER 79 0.677 -5.189 -2.426 611 H ARG 80 H ARG 80 2.150 -5.947 -5.748 612 HA ARG 80 HA ARG 80 3.790 -8.242 -6.021 613 HB2 ARG 80 1HB ARG 80 1.548 -8.149 -6.987 614 HB3 ARG 80 2HB ARG 80 2.044 -6.849 -8.061 615 HG2 ARG 80 1HG ARG 80 3.667 -8.401 -9.110 616 HG3 ARG 80 2HG ARG 80 3.024 -9.694 -8.095 617 HD2 ARG 80 1HD ARG 80 0.848 -9.467 -9.101 618 HD3 ARG 80 2HD ARG 80 1.382 -8.062 -10.025 619 HE ARG 80 HE ARG 80 2.389 -10.812 -10.441 620 HH11 ARG 80 1HH1 ARG 80 1.567 -7.627 -11.626 621 HH12 ARG 80 2HH1 ARG 80 1.930 -7.993 -13.285 622 HH21 ARG 80 1HH2 ARG 80 2.832 -11.328 -12.631 623 HH22 ARG 80 2HH2 ARG 80 2.647 -10.113 -13.860 624 H GLN 81 H GLN 81 3.959 -4.974 -7.278 625 HA GLN 81 HA GLN 81 6.014 -5.379 -9.173 626 HB2 GLN 81 1HB GLN 81 4.627 -3.366 -9.151 627 HB3 GLN 81 2HB GLN 81 5.257 -2.921 -7.577 628 HG2 GLN 81 1HG GLN 81 7.173 -3.245 -9.825 629 HG3 GLN 81 2HG GLN 81 6.144 -1.816 -9.787 630 HE21 GLN 81 2HE2 GLN 81 9.022 -1.983 -9.528 631 HE22 GLN 81 1HE2 GLN 81 9.409 -1.281 -7.994 632 H ALA 82 H ALA 82 6.008 -4.713 -5.724 633 HA ALA 82 HA ALA 82 8.868 -4.573 -5.498 634 HB1 ALA 82 3HB ALA 82 7.408 -3.417 -3.910 635 HB2 ALA 82 1HB ALA 82 8.461 -4.570 -3.090 636 HB3 ALA 82 2HB ALA 82 6.766 -4.967 -3.370 637 H HIS 83 H HIS 83 6.733 -7.046 -6.042 638 HA HIS 83 HA HIS 83 6.782 -9.306 -5.964 639 HB2 HIS 83 1HB HIS 83 9.746 -8.932 -5.475 640 HB3 HIS 83 2HB HIS 83 8.967 -10.438 -5.944 641 HD1 HIS 83 HD1 HIS 83 7.674 -10.268 -8.388 642 HD2 HIS 83 HD2 HIS 83 10.646 -7.469 -7.569 643 HE1 HIS 83 HE1 HIS 83 8.348 -9.315 -10.614 644 HE2 HIS 83 HE2 HIS 83 10.175 -7.656 -10.111 645 H CYS 84 H CYS 84 6.429 -7.693 -3.509 646 HA CYS 84 HA CYS 84 7.228 -9.702 -1.514 647 HB2 CYS 84 1HB CYS 84 6.830 -6.731 -1.091 648 HB3 CYS 84 2HB CYS 84 7.261 -7.897 0.155 649 HG CYS 84 HG CYS 84 9.258 -7.388 -2.568 650 H LEU 85 H LEU 85 5.229 -10.735 -2.196 651 HA LEU 85 HA LEU 85 2.774 -9.444 -1.290 652 HB2 LEU 85 1HB LEU 85 3.231 -12.088 -2.679 653 HB3 LEU 85 2HB LEU 85 1.658 -11.432 -2.266 654 HG LEU 85 HG LEU 85 3.617 -10.171 -4.186 655 HD11 LEU 85 1HD1 LEU 85 2.019 -10.839 -5.909 656 HD12 LEU 85 2HD1 LEU 85 1.047 -11.666 -4.691 657 HD13 LEU 85 3HD1 LEU 85 2.673 -12.240 -5.061 658 HD21 LEU 85 3HD2 LEU 85 1.756 -8.686 -4.739 659 HD22 LEU 85 1HD2 LEU 85 2.229 -8.525 -3.048 660 HD23 LEU 85 2HD2 LEU 85 0.781 -9.437 -3.475 661 H MET 86 H MET 86 1.447 -10.323 0.323 662 HA MET 86 HA MET 86 2.845 -11.890 2.321 663 HB2 MET 86 1HB MET 86 1.333 -9.898 2.827 664 HB3 MET 86 2HB MET 86 -0.022 -10.949 2.440 665 HG2 MET 86 1HG MET 86 0.361 -10.820 4.838 666 HG3 MET 86 2HG MET 86 0.604 -12.458 4.232 667 HE1 MET 86 3HE MET 86 1.865 -13.180 6.416 668 HE2 MET 86 1HE MET 86 1.643 -11.572 7.111 669 HE3 MET 86 2HE MET 86 3.242 -12.316 7.098 670 H GLU 87 H GLU 87 1.109 -12.548 -0.385 671 HA GLU 87 HA GLU 87 -0.184 -14.977 0.526 672 HB2 GLU 87 1HB GLU 87 0.257 -13.923 -2.280 673 HB3 GLU 87 2HB GLU 87 -0.780 -15.272 -1.840 674 HG2 GLU 87 1HG GLU 87 -1.184 -12.445 -0.896 675 HG3 GLU 87 2HG GLU 87 -1.989 -13.155 -2.293 676 H ASP 88 H ASP 88 0.521 -17.080 -0.016 677 HA ASP 88 HA ASP 88 3.396 -17.209 -0.585 678 HB2 ASP 88 1HB ASP 88 2.594 -18.284 1.497 679 HB3 ASP 88 2HB ASP 88 1.582 -19.356 0.533 680 H LYS 89 H LYS 89 4.162 -18.023 -2.407 681 HA LYS 89 HA LYS 89 2.574 -19.865 -4.003 682 HB2 LYS 89 1HB LYS 89 1.926 -17.586 -4.777 683 HB3 LYS 89 2HB LYS 89 3.612 -17.262 -5.148 684 HG2 LYS 89 1HG LYS 89 3.590 -19.064 -6.812 685 HG3 LYS 89 2HG LYS 89 1.889 -19.369 -6.446 686 HD2 LYS 89 1HD LYS 89 1.322 -17.098 -7.156 687 HD3 LYS 89 2HD LYS 89 3.022 -16.773 -7.493 688 HE2 LYS 89 1HE LYS 89 1.891 -17.266 -9.557 689 HE3 LYS 89 2HE LYS 89 2.997 -18.583 -9.177 690 HZ1 LYS 89 3HZ LYS 89 0.079 -18.624 -8.621 691 HZ2 LYS 89 1HZ LYS 89 1.166 -19.913 -8.415 692 HZ3 LYS 89 2HZ LYS 89 0.808 -19.343 -9.971 693 H ALA 90 H ALA 90 4.079 -21.450 -3.796 694 HA ALA 90 HA ALA 90 6.902 -20.931 -4.017 695 HB1 ALA 90 3HB ALA 90 5.426 -23.556 -3.850 696 HB2 ALA 90 1HB ALA 90 6.033 -22.629 -2.477 697 HB3 ALA 90 2HB ALA 90 7.162 -23.324 -3.643 698 H GLU 91 H GLU 91 5.880 -20.027 -6.313 699 HA GLU 91 HA GLU 91 6.686 -22.038 -8.306 700 HB2 GLU 91 1HB GLU 91 4.404 -20.070 -8.546 701 HB3 GLU 91 2HB GLU 91 4.951 -21.156 -9.815 702 HG2 GLU 91 1HG GLU 91 4.270 -23.073 -8.564 703 HG3 GLU 91 2HG GLU 91 3.912 -22.083 -7.150 704 H ALA 92 H ALA 92 8.078 -19.824 -6.979 705 HA ALA 92 HA ALA 92 8.360 -17.718 -8.914 706 HB1 ALA 92 3HB ALA 92 10.047 -18.369 -6.496 707 HB2 ALA 92 1HB ALA 92 8.661 -17.280 -6.521 708 HB3 ALA 92 2HB ALA 92 10.116 -16.878 -7.433 709 HA PRO 93 HA PRO 93 11.405 -19.637 -11.516 710 HB2 PRO 93 1HB PRO 93 12.487 -16.949 -12.012 711 HB3 PRO 93 2HB PRO 93 11.703 -18.067 -13.129 712 HG2 PRO 93 1HG PRO 93 10.491 -15.817 -12.299 713 HG3 PRO 93 2HG PRO 93 9.587 -17.309 -12.619 714 HD2 PRO 93 1HD PRO 93 10.465 -16.148 -10.000 715 HD3 PRO 93 2HD PRO 93 8.916 -16.903 -10.436 716 H ASN 94 H ASN 94 12.091 -19.164 -8.635 717 HA ASN 94 HA ASN 94 14.932 -18.517 -8.737 718 HB2 ASN 94 1HB ASN 94 13.145 -19.258 -6.404 719 HB3 ASN 94 2HB ASN 94 14.840 -18.806 -6.270 720 HD21 ASN 94 2HD2 ASN 94 12.412 -17.562 -5.159 721 HD22 ASN 94 1HD2 ASN 94 12.436 -15.918 -5.710 722 H THR 95 H THR 95 12.795 -21.217 -8.643 723 HA THR 95 HA THR 95 15.102 -23.032 -8.491 724 HB THR 95 HB THR 95 13.663 -24.673 -7.288 725 HG1 THR 95 HG1 THR 95 11.826 -23.323 -6.165 726 HG21 THR 95 3HG2 THR 95 13.773 -23.587 -5.086 727 HG22 THR 95 1HG2 THR 95 14.025 -22.027 -5.872 728 HG23 THR 95 2HG2 THR 95 15.238 -23.300 -6.026 729 H ILE 96 H ILE 96 14.243 -25.347 -9.177 730 HA ILE 96 HA ILE 96 13.007 -24.992 -11.788 731 HB ILE 96 HB ILE 96 13.606 -27.353 -12.173 732 HG12 ILE 96 1HG1 ILE 96 14.848 -27.218 -9.416 733 HG13 ILE 96 2HG1 ILE 96 13.389 -28.113 -9.823 734 HG21 ILE 96 1HG2 ILE 96 15.187 -25.612 -12.764 735 HG22 ILE 96 2HG2 ILE 96 16.044 -27.046 -12.195 736 HG23 ILE 96 3HG2 ILE 96 15.864 -25.647 -11.136 737 HD11 ILE 96 3HD1 ILE 96 16.141 -28.632 -10.928 738 HD12 ILE 96 1HD1 ILE 96 14.678 -29.534 -11.328 739 HD13 ILE 96 2HD1 ILE 96 15.320 -29.579 -9.686 740 H ALA 97 H ALA 97 11.753 -25.198 -8.883 741 HA ALA 97 HA ALA 97 10.117 -27.494 -8.866 742 HB1 ALA 97 3HB ALA 97 8.897 -26.396 -7.070 743 HB2 ALA 97 1HB ALA 97 9.676 -24.862 -7.458 744 HB3 ALA 97 2HB ALA 97 10.636 -26.209 -6.846 745 H SER 98 H SER 98 9.620 -24.226 -10.085 746 HA SER 98 HA SER 98 6.869 -24.669 -10.740 747 HB2 SER 98 1HB SER 98 7.280 -22.466 -12.059 748 HB3 SER 98 2HB SER 98 7.361 -22.425 -10.298 749 HG SER 98 HG SER 98 9.135 -21.358 -11.360 750 H GLY 99 H GLY 99 6.380 -26.120 -12.238 751 HA2 GLY 99 1HA GLY 99 6.246 -26.305 -14.729 752 HA3 GLY 99 2HA GLY 99 8.002 -26.175 -14.714 753 H SER 100 H SER 100 6.337 -27.939 -12.245 754 HA SER 100 HA SER 100 7.488 -30.422 -13.301 755 HB2 SER 100 1HB SER 100 6.481 -29.812 -10.509 756 HB3 SER 100 2HB SER 100 7.320 -31.277 -11.019 757 HG SER 100 HG SER 100 8.332 -28.648 -10.759 Start of MODEL 12 1 H1 MET 1 1H MET 1 -7.521 11.436 23.613 2 H2 MET 1 2H MET 1 -6.280 12.355 24.307 3 H3 MET 1 3H MET 1 -7.818 12.339 25.014 4 HA MET 1 HA MET 1 -6.025 9.999 24.767 5 HB2 MET 1 1HB MET 1 -6.618 11.842 27.077 6 HB3 MET 1 2HB MET 1 -5.983 10.221 27.316 7 HG2 MET 1 1HG MET 1 -4.211 11.863 27.392 8 HG3 MET 1 2HG MET 1 -4.011 10.796 26.005 9 HE1 MET 1 3HE MET 1 -2.477 13.564 26.392 10 HE2 MET 1 1HE MET 1 -2.572 14.227 24.760 11 HE3 MET 1 2HE MET 1 -2.239 12.511 24.998 12 H GLU 2 H GLU 2 -8.802 11.286 26.634 13 HA GLU 2 HA GLU 2 -10.052 8.816 27.100 14 HB2 GLU 2 1HB GLU 2 -10.735 10.849 28.258 15 HB3 GLU 2 2HB GLU 2 -11.251 11.574 26.743 16 HG2 GLU 2 1HG GLU 2 -13.022 9.935 26.533 17 HG3 GLU 2 2HG GLU 2 -12.480 9.135 28.009 18 H VAL 3 H VAL 3 -10.466 11.177 24.496 19 HA VAL 3 HA VAL 3 -11.444 8.982 22.789 20 HB VAL 3 HB VAL 3 -12.708 10.629 21.465 21 HG11 VAL 3 1HG1 VAL 3 -13.853 9.399 23.225 22 HG12 VAL 3 2HG1 VAL 3 -14.517 11.025 23.068 23 HG13 VAL 3 3HG1 VAL 3 -13.420 10.645 24.396 24 HG21 VAL 3 3HG2 VAL 3 -13.069 12.894 22.301 25 HG22 VAL 3 1HG2 VAL 3 -11.359 12.608 21.978 26 HG23 VAL 3 2HG2 VAL 3 -11.957 12.589 23.636 27 H GLN 4 H GLN 4 -11.130 9.756 20.368 28 HA GLN 4 HA GLN 4 -8.349 10.690 20.179 29 HB2 GLN 4 1HB GLN 4 -9.899 8.820 18.379 30 HB3 GLN 4 2HB GLN 4 -8.286 9.422 18.022 31 HG2 GLN 4 1HG GLN 4 -9.055 7.746 20.403 32 HG3 GLN 4 2HG GLN 4 -8.219 7.174 18.959 33 HE21 GLN 4 2HE2 GLN 4 -7.410 7.213 21.795 34 HE22 GLN 4 1HE2 GLN 4 -5.902 8.061 21.842 35 H SER 5 H SER 5 -7.790 12.141 18.558 36 HA SER 5 HA SER 5 -9.747 14.109 18.014 37 HB2 SER 5 1HB SER 5 -7.823 15.042 16.553 38 HB3 SER 5 2HB SER 5 -7.565 14.915 18.294 39 HG SER 5 HG SER 5 -5.798 14.079 17.072 40 H MET 6 H MET 6 -8.350 11.505 16.118 41 HA MET 6 HA MET 6 -8.983 10.501 14.185 42 HB2 MET 6 1HB MET 6 -11.537 12.048 14.672 43 HB3 MET 6 2HB MET 6 -11.343 10.831 13.417 44 HG2 MET 6 1HG MET 6 -10.941 9.128 15.072 45 HG3 MET 6 2HG MET 6 -10.993 10.327 16.362 46 HE1 MET 6 3HE MET 6 -13.035 8.442 13.603 47 HE2 MET 6 1HE MET 6 -13.363 10.127 13.191 48 HE3 MET 6 2HE MET 6 -14.654 9.103 13.820 49 H LEU 7 H LEU 7 -7.492 12.946 14.097 50 HA LEU 7 HA LEU 7 -8.561 14.549 11.934 51 HB2 LEU 7 1HB LEU 7 -7.250 15.521 13.813 52 HB3 LEU 7 2HB LEU 7 -5.841 14.644 13.248 53 HG LEU 7 HG LEU 7 -5.933 15.923 11.124 54 HD11 LEU 7 1HD1 LEU 7 -8.113 17.467 12.520 55 HD12 LEU 7 2HD1 LEU 7 -8.309 16.438 11.101 56 HD13 LEU 7 3HD1 LEU 7 -7.349 17.913 10.995 57 HD21 LEU 7 3HD2 LEU 7 -5.149 18.050 12.068 58 HD22 LEU 7 1HD2 LEU 7 -4.474 16.660 12.918 59 HD23 LEU 7 2HD2 LEU 7 -5.793 17.580 13.641 60 H LEU 8 H LEU 8 -7.107 11.626 12.076 61 HA LEU 8 HA LEU 8 -5.235 11.866 9.915 62 HB2 LEU 8 1HB LEU 8 -6.439 9.388 11.150 63 HB3 LEU 8 2HB LEU 8 -5.047 9.436 10.088 64 HG LEU 8 HG LEU 8 -5.197 10.589 12.874 65 HD11 LEU 8 1HD1 LEU 8 -3.709 8.213 11.765 66 HD12 LEU 8 2HD1 LEU 8 -5.099 8.163 12.850 67 HD13 LEU 8 3HD1 LEU 8 -3.568 8.839 13.406 68 HD21 LEU 8 3HD2 LEU 8 -2.908 10.511 10.912 69 HD22 LEU 8 1HD2 LEU 8 -2.799 11.017 12.598 70 HD23 LEU 8 2HD2 LEU 8 -3.769 11.951 11.459 71 H ASN 9 H ASN 9 -8.608 11.548 10.126 72 HA ASN 9 HA ASN 9 -10.283 11.045 8.658 73 HB2 ASN 9 1HB ASN 9 -8.085 11.526 6.626 74 HB3 ASN 9 2HB ASN 9 -9.777 11.288 6.206 75 HD21 ASN 9 2HD2 ASN 9 -7.438 13.425 7.596 76 HD22 ASN 9 1HD2 ASN 9 -8.438 14.839 7.616 77 H ASP 10 H ASP 10 -8.978 8.936 9.870 78 HA ASP 10 HA ASP 10 -7.903 7.069 8.032 79 HB2 ASP 10 1HB ASP 10 -7.805 5.529 9.924 80 HB3 ASP 10 2HB ASP 10 -7.214 7.118 10.391 81 H VAL 11 H VAL 11 -9.121 6.188 6.516 82 HA VAL 11 HA VAL 11 -11.733 5.135 7.124 83 HB VAL 11 HB VAL 11 -11.393 4.073 4.769 84 HG11 VAL 11 1HG1 VAL 11 -12.924 5.908 5.235 85 HG12 VAL 11 2HG1 VAL 11 -12.096 6.172 3.701 86 HG13 VAL 11 3HG1 VAL 11 -11.591 7.058 5.139 87 HG21 VAL 11 3HG2 VAL 11 -8.963 4.478 4.667 88 HG22 VAL 11 1HG2 VAL 11 -9.272 6.214 4.691 89 HG23 VAL 11 2HG2 VAL 11 -9.826 5.239 3.330 90 H LYS 12 H LYS 12 -11.910 3.361 8.251 91 HA LYS 12 HA LYS 12 -9.606 1.766 8.826 92 HB2 LYS 12 1HB LYS 12 -12.488 1.477 9.680 93 HB3 LYS 12 2HB LYS 12 -11.157 0.520 10.316 94 HG2 LYS 12 1HG LYS 12 -10.128 2.476 11.260 95 HG3 LYS 12 2HG LYS 12 -11.327 3.519 10.497 96 HD2 LYS 12 1HD LYS 12 -13.088 2.487 11.837 97 HD3 LYS 12 2HD LYS 12 -11.901 1.427 12.595 98 HE2 LYS 12 1HE LYS 12 -12.491 3.356 14.009 99 HE3 LYS 12 2HE LYS 12 -10.779 3.320 13.586 100 HZ1 LYS 12 3HZ LYS 12 -11.054 5.061 12.058 101 HZ2 LYS 12 1HZ LYS 12 -11.932 5.536 13.426 102 HZ3 LYS 12 2HZ LYS 12 -12.749 4.937 12.070 103 H TRP 13 H TRP 13 -9.007 -0.110 8.009 104 HA TRP 13 HA TRP 13 -10.429 -1.170 5.743 105 HB2 TRP 13 1HB TRP 13 -7.752 -1.354 6.821 106 HB3 TRP 13 2HB TRP 13 -8.375 -2.956 6.443 107 HD1 TRP 13 HD1 TRP 13 -10.039 -2.176 3.833 108 HE1 TRP 13 HE1 TRP 13 -8.780 -1.597 1.668 109 HE3 TRP 13 HE3 TRP 13 -5.492 -0.974 5.836 110 HZ2 TRP 13 HZ2 TRP 13 -6.200 -0.757 0.906 111 HZ3 TRP 13 HZ3 TRP 13 -3.681 -0.298 4.316 112 HH2 TRP 13 HH2 TRP 13 -4.028 -0.192 1.902 113 H GLU 14 H GLU 14 -11.526 -3.049 5.613 114 HA GLU 14 HA GLU 14 -12.433 -4.282 8.052 115 HB2 GLU 14 1HB GLU 14 -13.840 -3.911 5.987 116 HB3 GLU 14 2HB GLU 14 -12.903 -5.174 5.205 117 HG2 GLU 14 1HG GLU 14 -13.661 -6.778 6.876 118 HG3 GLU 14 2HG GLU 14 -14.600 -5.505 7.664 119 H LYS 15 H LYS 15 -11.051 -5.712 5.095 120 HA LYS 15 HA LYS 15 -9.434 -7.489 6.763 121 HB2 LYS 15 1HB LYS 15 -10.542 -7.654 4.051 122 HB3 LYS 15 2HB LYS 15 -8.863 -8.167 4.157 123 HG2 LYS 15 1HG LYS 15 -11.111 -9.237 5.856 124 HG3 LYS 15 2HG LYS 15 -10.444 -10.028 4.424 125 HD2 LYS 15 1HD LYS 15 -8.262 -10.172 5.499 126 HD3 LYS 15 2HD LYS 15 -8.889 -9.331 6.917 127 HE2 LYS 15 1HE LYS 15 -10.456 -11.170 7.308 128 HE3 LYS 15 2HE LYS 15 -9.830 -12.007 5.890 129 HZ1 LYS 15 3HZ LYS 15 -8.889 -12.817 8.000 130 HZ2 LYS 15 1HZ LYS 15 -8.200 -11.292 8.269 131 HZ3 LYS 15 2HZ LYS 15 -7.702 -12.227 6.941 132 HA PRO 16 HA PRO 16 -6.308 -4.350 6.191 133 HB2 PRO 16 1HB PRO 16 -4.535 -5.434 7.928 134 HB3 PRO 16 2HB PRO 16 -5.964 -4.535 8.452 135 HG2 PRO 16 1HG PRO 16 -5.553 -7.497 8.269 136 HG3 PRO 16 2HG PRO 16 -6.304 -6.548 9.566 137 HD2 PRO 16 1HD PRO 16 -7.760 -7.867 7.710 138 HD3 PRO 16 2HD PRO 16 -8.301 -6.338 8.432 139 H VAL 17 H VAL 17 -4.010 -4.302 5.608 140 HA VAL 17 HA VAL 17 -3.348 -6.529 3.806 141 HB VAL 17 HB VAL 17 -2.254 -3.708 3.785 142 HG11 VAL 17 1HG1 VAL 17 -0.722 -5.337 2.822 143 HG12 VAL 17 2HG1 VAL 17 -1.400 -4.295 1.569 144 HG13 VAL 17 3HG1 VAL 17 -2.006 -5.939 1.772 145 HG21 VAL 17 3HG2 VAL 17 -4.361 -4.964 2.028 146 HG22 VAL 17 1HG2 VAL 17 -3.668 -3.356 1.818 147 HG23 VAL 17 2HG2 VAL 17 -4.633 -3.721 3.248 148 H THR 18 H THR 18 -1.547 -7.711 4.114 149 HA THR 18 HA THR 18 0.184 -7.004 6.381 150 HB THR 18 HB THR 18 -0.073 -9.656 4.950 151 HG1 THR 18 HG1 THR 18 -1.896 -8.655 6.360 152 HG21 THR 18 3HG2 THR 18 1.225 -8.939 7.583 153 HG22 THR 18 1HG2 THR 18 2.079 -9.342 6.096 154 HG23 THR 18 2HG2 THR 18 1.092 -10.561 6.904 155 H ILE 19 H ILE 19 1.921 -5.887 5.774 156 HA ILE 19 HA ILE 19 3.352 -6.703 3.322 157 HB ILE 19 HB ILE 19 3.298 -4.051 4.765 158 HG12 ILE 19 1HG1 ILE 19 1.422 -4.531 3.212 159 HG13 ILE 19 2HG1 ILE 19 2.417 -3.181 2.678 160 HG21 ILE 19 1HG2 ILE 19 5.065 -4.881 2.468 161 HG22 ILE 19 2HG2 ILE 19 5.587 -4.496 4.108 162 HG23 ILE 19 3HG2 ILE 19 4.894 -3.237 3.085 163 HD11 ILE 19 3HD1 ILE 19 3.515 -4.601 1.060 164 HD12 ILE 19 1HD1 ILE 19 1.768 -4.642 0.836 165 HD13 ILE 19 2HD1 ILE 19 2.587 -5.991 1.624 166 H SER 20 H SER 20 5.053 -7.934 3.744 167 HA SER 20 HA SER 20 6.339 -7.833 6.352 168 HB2 SER 20 1HB SER 20 7.575 -9.840 5.480 169 HB3 SER 20 2HB SER 20 5.822 -10.032 5.506 170 HG SER 20 HG SER 20 7.087 -9.059 3.190 171 H LEU 21 H LEU 21 8.122 -6.682 6.712 172 HA LEU 21 HA LEU 21 9.508 -5.422 4.511 173 HB2 LEU 21 1HB LEU 21 10.176 -5.311 7.453 174 HB3 LEU 21 2HB LEU 21 10.734 -4.217 6.200 175 HG LEU 21 HG LEU 21 7.883 -4.477 7.161 176 HD11 LEU 21 1HD1 LEU 21 9.338 -3.395 8.790 177 HD12 LEU 21 2HD1 LEU 21 8.224 -2.236 8.064 178 HD13 LEU 21 3HD1 LEU 21 9.910 -2.281 7.548 179 HD21 LEU 21 3HD2 LEU 21 7.465 -2.521 5.742 180 HD22 LEU 21 1HD2 LEU 21 7.980 -3.919 4.797 181 HD23 LEU 21 2HD2 LEU 21 9.120 -2.616 5.137 182 H GLN 22 H GLN 22 12.051 -5.328 4.877 183 HA GLN 22 HA GLN 22 13.048 -7.801 4.046 184 HB2 GLN 22 1HB GLN 22 14.112 -5.664 3.513 185 HB3 GLN 22 2HB GLN 22 14.540 -5.437 5.204 186 HG2 GLN 22 1HG GLN 22 15.951 -7.455 5.080 187 HG3 GLN 22 2HG GLN 22 15.570 -7.587 3.365 188 HE21 GLN 22 2HE2 GLN 22 18.132 -7.209 4.714 189 HE22 GLN 22 1HE2 GLN 22 18.817 -5.771 4.034 190 H ASN 23 H ASN 23 12.728 -6.462 7.234 191 HA ASN 23 HA ASN 23 14.595 -8.214 8.514 192 HB2 ASN 23 1HB ASN 23 12.342 -6.621 9.752 193 HB3 ASN 23 2HB ASN 23 13.733 -7.295 10.592 194 HD21 ASN 23 2HD2 ASN 23 15.733 -6.311 10.385 195 HD22 ASN 23 1HD2 ASN 23 15.907 -4.714 9.735 196 H GLY 24 H GLY 24 11.704 -8.876 7.103 197 HA2 GLY 24 1HA GLY 24 10.405 -10.791 7.194 198 HA3 GLY 24 2HA GLY 24 11.358 -11.335 8.569 199 H ALA 25 H ALA 25 9.912 -8.192 8.528 200 HA ALA 25 HA ALA 25 8.118 -9.034 10.695 201 HB1 ALA 25 3HB ALA 25 8.154 -6.729 11.452 202 HB2 ALA 25 1HB ALA 25 9.127 -6.264 10.056 203 HB3 ALA 25 2HB ALA 25 9.802 -7.335 11.281 204 HA PRO 26 HA PRO 26 4.922 -8.158 7.630 205 HB2 PRO 26 1HB PRO 26 3.135 -9.573 9.409 206 HB3 PRO 26 2HB PRO 26 3.732 -10.069 7.825 207 HG2 PRO 26 1HG PRO 26 4.429 -11.312 10.152 208 HG3 PRO 26 2HG PRO 26 5.464 -11.276 8.713 209 HD2 PRO 26 1HD PRO 26 5.595 -9.585 11.184 210 HD3 PRO 26 2HD PRO 26 6.916 -10.341 10.264 211 H ARG 27 H ARG 27 4.452 -6.031 7.835 212 HA ARG 27 HA ARG 27 3.085 -5.066 10.216 213 HB2 ARG 27 1HB ARG 27 4.016 -3.716 7.683 214 HB3 ARG 27 2HB ARG 27 3.004 -2.893 8.862 215 HG2 ARG 27 1HG ARG 27 4.742 -3.346 10.579 216 HG3 ARG 27 2HG ARG 27 5.767 -3.999 9.303 217 HD2 ARG 27 1HD ARG 27 5.860 -1.883 8.197 218 HD3 ARG 27 2HD ARG 27 4.627 -1.212 9.264 219 HE ARG 27 HE ARG 27 6.680 -2.034 10.914 220 HH11 ARG 27 1HH1 ARG 27 6.342 0.242 8.262 221 HH12 ARG 27 2HH1 ARG 27 7.558 1.323 8.877 222 HH21 ARG 27 1HH2 ARG 27 8.270 -0.611 11.703 223 HH22 ARG 27 2HH2 ARG 27 8.652 0.834 10.818 224 H ILE 28 H ILE 28 0.981 -5.074 10.434 225 HA ILE 28 HA ILE 28 -0.665 -5.671 8.075 226 HB ILE 28 HB ILE 28 -1.294 -6.092 11.005 227 HG12 ILE 28 1HG1 ILE 28 -0.588 -8.066 8.820 228 HG13 ILE 28 2HG1 ILE 28 0.439 -7.622 10.179 229 HG21 ILE 28 1HG2 ILE 28 -2.840 -6.872 8.536 230 HG22 ILE 28 2HG2 ILE 28 -3.299 -5.638 9.712 231 HG23 ILE 28 3HG2 ILE 28 -3.244 -7.337 10.187 232 HD11 ILE 28 3HD1 ILE 28 -2.207 -9.043 10.350 233 HD12 ILE 28 1HD1 ILE 28 -1.192 -8.589 11.719 234 HD13 ILE 28 2HD1 ILE 28 -0.612 -9.769 10.545 235 H PHE 29 H PHE 29 -1.554 -3.906 7.247 236 HA PHE 29 HA PHE 29 -1.984 -1.565 8.929 237 HB2 PHE 29 1HB PHE 29 -2.407 -1.809 5.947 238 HB3 PHE 29 2HB PHE 29 -2.214 -0.330 6.883 239 HD1 PHE 29 HD2 PHE 29 0.043 -0.082 8.160 240 HD2 PHE 29 HD1 PHE 29 -0.583 -2.735 4.893 241 HE1 PHE 29 HE2 PHE 29 2.471 -0.169 7.768 242 HE2 PHE 29 HE1 PHE 29 1.839 -2.827 4.499 243 HZ PHE 29 HZ PHE 29 3.370 -1.546 5.936 244 H ASN 30 H ASN 30 -3.846 -1.377 9.940 245 HA ASN 30 HA ASN 30 -6.223 -2.697 8.850 246 HB2 ASN 30 1HB ASN 30 -5.590 -1.559 11.572 247 HB3 ASN 30 2HB ASN 30 -7.200 -2.114 11.124 248 HD21 ASN 30 2HD2 ASN 30 -3.903 -3.061 11.733 249 HD22 ASN 30 1HD2 ASN 30 -4.220 -4.754 11.931 250 H GLY 31 H GLY 31 -4.854 0.113 8.336 251 HA2 GLY 31 1HA GLY 31 -7.426 1.370 7.753 252 HA3 GLY 31 2HA GLY 31 -6.278 2.289 8.719 253 H VAL 32 H VAL 32 -7.399 2.623 5.909 254 HA VAL 32 HA VAL 32 -5.370 2.076 4.040 255 HB VAL 32 HB VAL 32 -7.429 4.286 3.914 256 HG11 VAL 32 1HG1 VAL 32 -5.648 4.615 2.301 257 HG12 VAL 32 2HG1 VAL 32 -7.124 4.109 1.479 258 HG13 VAL 32 3HG1 VAL 32 -5.820 2.951 1.740 259 HG21 VAL 32 3HG2 VAL 32 -8.769 2.688 2.624 260 HG22 VAL 32 1HG2 VAL 32 -8.462 2.104 4.261 261 HG23 VAL 32 2HG2 VAL 32 -7.552 1.444 2.904 262 H TYR 33 H TYR 33 -5.938 4.874 6.113 263 HA TYR 33 HA TYR 33 -3.979 6.568 5.042 264 HB2 TYR 33 1HB TYR 33 -5.536 7.507 6.594 265 HB3 TYR 33 2HB TYR 33 -5.093 6.346 7.842 266 HD1 TYR 33 HD1 TYR 33 -3.789 9.233 5.887 267 HD2 TYR 33 HD2 TYR 33 -3.373 6.822 9.368 268 HE1 TYR 33 HE1 TYR 33 -2.104 10.797 6.765 269 HE2 TYR 33 HE2 TYR 33 -1.692 8.376 10.256 270 HH TYR 33 HH TYR 33 -0.142 10.047 9.479 271 H GLU 34 H GLU 34 -3.755 3.919 7.343 272 HA GLU 34 HA GLU 34 -1.138 4.421 8.262 273 HB2 GLU 34 1HB GLU 34 -2.742 2.907 9.385 274 HB3 GLU 34 2HB GLU 34 -2.598 1.780 8.045 275 HG2 GLU 34 1HG GLU 34 -0.264 1.419 8.557 276 HG3 GLU 34 2HG GLU 34 -0.344 2.614 9.851 277 H ALA 35 H ALA 35 -2.398 2.505 5.568 278 HA ALA 35 HA ALA 35 0.101 1.525 4.670 279 HB1 ALA 35 3HB ALA 35 -2.021 0.524 3.973 280 HB2 ALA 35 1HB ALA 35 -1.061 1.017 2.578 281 HB3 ALA 35 2HB ALA 35 -2.431 1.998 3.097 282 H PHE 36 H PHE 36 -1.841 4.344 3.773 283 HA PHE 36 HA PHE 36 -0.204 5.392 1.772 284 HB2 PHE 36 1HB PHE 36 -2.466 6.210 2.197 285 HB3 PHE 36 2HB PHE 36 -1.973 6.818 3.771 286 HD1 PHE 36 HD2 PHE 36 -1.407 7.245 0.126 287 HD2 PHE 36 HD1 PHE 36 -1.154 8.984 4.004 288 HE1 PHE 36 HE2 PHE 36 -0.871 9.422 -0.884 289 HE2 PHE 36 HE1 PHE 36 -0.625 11.163 2.999 290 HZ PHE 36 HZ PHE 36 -0.482 11.385 0.547 291 H ASP 37 H ASP 37 -0.200 5.982 5.263 292 HA ASP 37 HA ASP 37 1.936 7.790 5.376 293 HB2 ASP 37 1HB ASP 37 0.426 7.410 7.258 294 HB3 ASP 37 2HB ASP 37 1.006 5.756 7.418 295 H PHE 38 H PHE 38 1.873 4.272 5.703 296 HA PHE 38 HA PHE 38 4.575 3.799 6.132 297 HB2 PHE 38 1HB PHE 38 2.969 2.050 6.440 298 HB3 PHE 38 2HB PHE 38 2.457 2.143 4.760 299 HD1 PHE 38 HD1 PHE 38 5.421 1.361 6.871 300 HD2 PHE 38 HD2 PHE 38 3.371 0.706 3.199 301 HE1 PHE 38 HE1 PHE 38 7.025 -0.415 6.292 302 HE2 PHE 38 HE2 PHE 38 4.970 -1.064 2.614 303 HZ PHE 38 HZ PHE 38 6.797 -1.628 4.160 304 H LEU 39 H LEU 39 2.806 4.072 3.069 305 HA LEU 39 HA LEU 39 4.888 3.315 1.354 306 HB2 LEU 39 1HB LEU 39 2.560 5.171 0.861 307 HB3 LEU 39 2HB LEU 39 3.605 4.542 -0.396 308 HG LEU 39 HG LEU 39 1.870 2.854 1.405 309 HD11 LEU 39 1HD1 LEU 39 0.486 2.517 -0.574 310 HD12 LEU 39 2HD1 LEU 39 1.498 3.640 -1.481 311 HD13 LEU 39 3HD1 LEU 39 0.541 4.220 -0.119 312 HD21 LEU 39 3HD2 LEU 39 2.438 1.055 -0.156 313 HD22 LEU 39 1HD2 LEU 39 3.869 1.693 0.650 314 HD23 LEU 39 2HD2 LEU 39 3.520 2.147 -1.018 315 H GLN 40 H GLN 40 4.200 6.376 2.892 316 HA GLN 40 HA GLN 40 6.252 7.698 1.282 317 HB2 GLN 40 1HB GLN 40 4.241 8.756 3.268 318 HB3 GLN 40 2HB GLN 40 5.493 9.755 2.543 319 HG2 GLN 40 1HG GLN 40 4.571 9.402 0.348 320 HG3 GLN 40 2HG GLN 40 3.389 8.262 0.990 321 HE21 GLN 40 2HE2 GLN 40 3.060 10.822 -0.468 322 HE22 GLN 40 1HE2 GLN 40 2.041 11.792 0.547 323 H HIS 41 H HIS 41 6.031 6.026 4.164 324 HA HIS 41 HA HIS 41 8.143 7.559 5.467 325 HB2 HIS 41 1HB HIS 41 6.288 5.398 6.356 326 HB3 HIS 41 2HB HIS 41 7.826 5.579 7.193 327 HD1 HIS 41 HD1 HIS 41 7.396 6.796 9.298 328 HD2 HIS 41 HD2 HIS 41 5.199 8.352 6.125 329 HE1 HIS 41 HE1 HIS 41 6.188 8.801 10.221 330 HE2 HIS 41 HE2 HIS 41 4.665 9.536 8.355 331 H GLU 42 H GLU 42 7.650 4.060 4.907 332 HA GLU 42 HA GLU 42 10.384 3.900 3.923 333 HB2 GLU 42 1HB GLU 42 9.414 2.406 6.355 334 HB3 GLU 42 2HB GLU 42 10.844 1.941 5.446 335 HG2 GLU 42 1HG GLU 42 11.795 4.186 5.905 336 HG3 GLU 42 2HG GLU 42 10.398 4.520 6.929 337 H TRP 43 H TRP 43 8.995 3.512 2.009 338 HA TRP 43 HA TRP 43 7.946 0.828 1.766 339 HB2 TRP 43 1HB TRP 43 7.025 2.713 0.436 340 HB3 TRP 43 2HB TRP 43 8.580 2.893 -0.366 341 HD1 TRP 43 HD1 TRP 43 8.592 1.860 -2.684 342 HE1 TRP 43 HE1 TRP 43 7.416 -0.105 -3.854 343 HE3 TRP 43 HE3 TRP 43 5.832 0.103 1.246 344 HZ2 TRP 43 HZ2 TRP 43 5.561 -2.127 -3.204 345 HZ3 TRP 43 HZ3 TRP 43 4.380 -1.849 0.884 346 HH2 TRP 43 HH2 TRP 43 4.248 -2.940 -1.294 347 HA PRO 44 HA PRO 44 12.078 -0.861 1.243 348 HB2 PRO 44 1HB PRO 44 10.675 -3.336 0.509 349 HB3 PRO 44 2HB PRO 44 11.758 -3.019 1.866 350 HG2 PRO 44 1HG PRO 44 9.121 -3.372 2.220 351 HG3 PRO 44 2HG PRO 44 10.059 -2.243 3.218 352 HD2 PRO 44 1HD PRO 44 8.263 -1.671 0.886 353 HD3 PRO 44 2HD PRO 44 8.414 -0.809 2.434 354 H ALA 45 H ALA 45 10.860 0.499 -1.023 355 HA ALA 45 HA ALA 45 12.430 -0.574 -3.125 356 HB1 ALA 45 3HB ALA 45 10.633 -1.106 -4.707 357 HB2 ALA 45 1HB ALA 45 9.433 -0.825 -3.445 358 HB3 ALA 45 2HB ALA 45 10.570 -2.164 -3.297 359 H ARG 46 H ARG 46 11.978 0.760 -5.204 360 HA ARG 46 HA ARG 46 11.550 3.511 -4.494 361 HB2 ARG 46 1HB ARG 46 11.895 2.185 -7.188 362 HB3 ARG 46 2HB ARG 46 11.750 3.923 -6.962 363 HG2 ARG 46 1HG ARG 46 13.779 3.874 -5.555 364 HG3 ARG 46 2HG ARG 46 13.941 2.150 -5.899 365 HD2 ARG 46 1HD ARG 46 13.961 4.369 -7.946 366 HD3 ARG 46 2HD ARG 46 15.379 3.505 -7.353 367 HE ARG 46 HE ARG 46 14.010 1.467 -8.281 368 HH11 ARG 46 1HH1 ARG 46 14.383 4.650 -9.721 369 HH12 ARG 46 2HH1 ARG 46 14.198 4.067 -11.350 370 HH21 ARG 46 1HH2 ARG 46 13.785 0.708 -10.399 371 HH22 ARG 46 2HH2 ARG 46 13.865 1.811 -11.740 372 H GLY 47 H GLY 47 10.018 2.015 -7.289 373 HA2 GLY 47 1HA GLY 47 7.678 1.184 -6.942 374 HA3 GLY 47 2HA GLY 47 7.404 2.710 -6.113 375 H ASP 48 H ASP 48 8.609 4.503 -7.732 376 HA ASP 48 HA ASP 48 8.039 5.902 -9.421 377 HB2 ASP 48 1HB ASP 48 8.229 3.282 -10.915 378 HB3 ASP 48 2HB ASP 48 8.039 4.838 -11.718 379 H ARG 49 H ARG 49 6.386 4.077 -11.616 380 HA ARG 49 HA ARG 49 3.988 5.473 -11.359 381 HB2 ARG 49 1HB ARG 49 4.771 4.263 -13.391 382 HB3 ARG 49 2HB ARG 49 4.371 2.749 -12.599 383 HG2 ARG 49 1HG ARG 49 2.014 3.450 -12.494 384 HG3 ARG 49 2HG ARG 49 2.440 4.928 -13.360 385 HD2 ARG 49 1HD ARG 49 2.777 2.107 -14.380 386 HD3 ARG 49 2HD ARG 49 1.538 3.254 -14.890 387 HE ARG 49 HE ARG 49 3.456 4.658 -15.702 388 HH11 ARG 49 1HH1 ARG 49 3.705 1.170 -15.485 389 HH12 ARG 49 2HH1 ARG 49 4.937 1.050 -16.705 390 HH21 ARG 49 1HH2 ARG 49 5.100 4.506 -17.291 391 HH22 ARG 49 2HH2 ARG 49 5.752 2.946 -17.697 392 H ALA 50 H ALA 50 4.875 2.250 -10.187 393 HA ALA 50 HA ALA 50 2.298 1.522 -9.281 394 HB1 ALA 50 3HB ALA 50 3.438 -0.266 -8.065 395 HB2 ALA 50 1HB ALA 50 4.990 0.513 -8.372 396 HB3 ALA 50 2HB ALA 50 4.043 -0.124 -9.715 397 H HIS 51 H HIS 51 4.984 3.200 -7.769 398 HA HIS 51 HA HIS 51 3.927 3.118 -5.117 399 HB2 HIS 51 1HB HIS 51 6.334 3.466 -5.584 400 HB3 HIS 51 2HB HIS 51 5.957 5.023 -6.313 401 HD1 HIS 51 HD1 HIS 51 5.592 7.004 -4.753 402 HD2 HIS 51 HD2 HIS 51 6.075 3.379 -2.752 403 HE1 HIS 51 HE1 HIS 51 5.893 7.594 -2.320 404 HE2 HIS 51 HE2 HIS 51 6.279 5.398 -1.143 405 H GLU 52 H GLU 52 3.913 5.500 -7.734 406 HA GLU 52 HA GLU 52 2.622 7.513 -6.212 407 HB2 GLU 52 1HB GLU 52 2.757 7.221 -9.218 408 HB3 GLU 52 2HB GLU 52 2.347 8.686 -8.332 409 HG2 GLU 52 1HG GLU 52 4.996 7.267 -8.414 410 HG3 GLU 52 2HG GLU 52 4.608 8.871 -9.036 411 H GLN 53 H GLN 53 1.414 5.168 -8.625 412 HA GLN 53 HA GLN 53 -1.271 5.906 -8.555 413 HB2 GLN 53 1HB GLN 53 -0.011 3.193 -8.940 414 HB3 GLN 53 2HB GLN 53 -1.735 3.483 -9.123 415 HG2 GLN 53 1HG GLN 53 -1.221 5.139 -10.890 416 HG3 GLN 53 2HG GLN 53 0.483 4.713 -10.741 417 HE21 GLN 53 2HE2 GLN 53 -1.338 4.475 -13.018 418 HE22 GLN 53 1HE2 GLN 53 -1.318 2.800 -13.464 419 H ALA 54 H ALA 54 0.501 3.675 -6.448 420 HA ALA 54 HA ALA 54 -1.622 2.797 -4.874 421 HB1 ALA 54 3HB ALA 54 0.590 1.794 -4.780 422 HB2 ALA 54 1HB ALA 54 0.064 2.289 -3.172 423 HB3 ALA 54 2HB ALA 54 1.241 3.263 -4.054 424 H LEU 55 H LEU 55 0.485 5.629 -4.448 425 HA LEU 55 HA LEU 55 -0.663 6.568 -2.057 426 HB2 LEU 55 1HB LEU 55 0.671 8.099 -4.289 427 HB3 LEU 55 2HB LEU 55 0.272 8.779 -2.723 428 HG LEU 55 HG LEU 55 2.216 6.520 -3.212 429 HD11 LEU 55 1HD1 LEU 55 2.655 9.414 -2.487 430 HD12 LEU 55 2HD1 LEU 55 3.081 8.634 -4.011 431 HD13 LEU 55 3HD1 LEU 55 3.905 8.170 -2.523 432 HD21 LEU 55 3HD2 LEU 55 1.522 7.994 -0.673 433 HD22 LEU 55 1HD2 LEU 55 2.774 6.767 -0.852 434 HD23 LEU 55 2HD2 LEU 55 1.077 6.331 -1.055 435 H ARG 56 H ARG 56 -1.424 7.236 -5.441 436 HA ARG 56 HA ARG 56 -3.388 9.199 -4.967 437 HB2 ARG 56 1HB ARG 56 -3.147 7.301 -7.310 438 HB3 ARG 56 2HB ARG 56 -4.088 8.788 -7.282 439 HG2 ARG 56 1HG ARG 56 -1.949 10.022 -6.859 440 HG3 ARG 56 2HG ARG 56 -1.098 8.502 -7.141 441 HD2 ARG 56 1HD ARG 56 -1.044 9.633 -9.201 442 HD3 ARG 56 2HD ARG 56 -2.312 8.420 -9.372 443 HE ARG 56 HE ARG 56 -3.392 10.879 -8.460 444 HH11 ARG 56 1HH1 ARG 56 -2.214 9.260 -11.345 445 HH12 ARG 56 2HH1 ARG 56 -3.092 10.304 -12.429 446 HH21 ARG 56 1HH2 ARG 56 -4.510 12.257 -9.880 447 HH22 ARG 56 2HH2 ARG 56 -4.381 12.016 -11.596 448 H LEU 57 H LEU 57 -3.586 5.691 -5.275 449 HA LEU 57 HA LEU 57 -6.403 5.475 -5.173 450 HB2 LEU 57 1HB LEU 57 -4.265 3.515 -4.321 451 HB3 LEU 57 2HB LEU 57 -5.965 3.124 -4.505 452 HG LEU 57 HG LEU 57 -4.225 4.121 -6.758 453 HD11 LEU 57 1HD1 LEU 57 -4.215 1.789 -7.526 454 HD12 LEU 57 2HD1 LEU 57 -5.024 1.306 -6.035 455 HD13 LEU 57 3HD1 LEU 57 -3.395 1.980 -5.976 456 HD21 LEU 57 3HD2 LEU 57 -6.043 3.324 -8.166 457 HD22 LEU 57 1HD2 LEU 57 -6.627 4.532 -7.020 458 HD23 LEU 57 2HD2 LEU 57 -6.947 2.820 -6.738 459 H CYS 58 H CYS 58 -3.910 5.407 -2.652 460 HA CYS 58 HA CYS 58 -5.648 4.936 -0.483 461 HB2 CYS 58 1HB CYS 58 -2.999 6.395 -0.512 462 HB3 CYS 58 2HB CYS 58 -3.810 5.776 0.921 463 HG CYS 58 HG CYS 58 -2.368 3.976 -1.596 464 H ARG 59 H ARG 59 -4.563 7.909 -2.060 465 HA ARG 59 HA ARG 59 -5.761 9.674 -0.192 466 HB2 ARG 59 1HB ARG 59 -4.856 10.032 -3.038 467 HB3 ARG 59 2HB ARG 59 -5.602 11.338 -2.123 468 HG2 ARG 59 1HG ARG 59 -3.808 10.909 -0.370 469 HG3 ARG 59 2HG ARG 59 -2.999 9.940 -1.602 470 HD2 ARG 59 1HD ARG 59 -2.192 12.286 -1.480 471 HD3 ARG 59 2HD ARG 59 -2.825 11.832 -3.063 472 HE ARG 59 HE ARG 59 -4.367 13.491 -2.847 473 HH11 ARG 59 1HH1 ARG 59 -3.311 12.610 0.386 474 HH12 ARG 59 2HH1 ARG 59 -4.330 13.775 1.174 475 HH21 ARG 59 1HH2 ARG 59 -5.650 15.060 -1.815 476 HH22 ARG 59 2HH2 ARG 59 -5.629 15.200 -0.079 477 H ALA 60 H ALA 60 -6.898 8.209 -3.205 478 HA ALA 60 HA ALA 60 -9.362 9.543 -3.374 479 HB1 ALA 60 3HB ALA 60 -10.084 7.696 -4.789 480 HB2 ALA 60 1HB ALA 60 -8.720 6.723 -4.238 481 HB3 ALA 60 2HB ALA 60 -8.436 8.179 -5.191 482 H SER 61 H SER 61 -8.330 6.762 -1.510 483 HA SER 61 HA SER 61 -10.895 6.008 -0.565 484 HB2 SER 61 1HB SER 61 -8.199 5.552 0.737 485 HB3 SER 61 2HB SER 61 -9.684 4.654 1.057 486 HG SER 61 HG SER 61 -8.202 4.720 -1.372 487 H LEU 62 H LEU 62 -8.422 8.229 0.587 488 HA LEU 62 HA LEU 62 -9.686 8.807 3.083 489 HB2 LEU 62 1HB LEU 62 -7.627 10.385 1.537 490 HB3 LEU 62 2HB LEU 62 -8.079 10.668 3.206 491 HG LEU 62 HG LEU 62 -6.758 8.158 2.164 492 HD11 LEU 62 1HD1 LEU 62 -4.785 8.940 3.349 493 HD12 LEU 62 2HD1 LEU 62 -5.631 10.416 3.813 494 HD13 LEU 62 3HD1 LEU 62 -5.272 10.102 2.115 495 HD21 LEU 62 3HD2 LEU 62 -8.203 7.736 4.087 496 HD22 LEU 62 1HD2 LEU 62 -7.399 9.028 4.979 497 HD23 LEU 62 2HD2 LEU 62 -6.501 7.581 4.522 498 H MET 63 H MET 63 -10.496 9.593 -0.051 499 HA MET 63 HA MET 63 -11.756 12.136 0.673 500 HB2 MET 63 1HB MET 63 -11.480 10.754 -1.999 501 HB3 MET 63 2HB MET 63 -12.291 12.292 -1.751 502 HG2 MET 63 1HG MET 63 -10.213 13.296 -1.019 503 HG3 MET 63 2HG MET 63 -9.387 11.748 -1.197 504 HE1 MET 63 3HE MET 63 -8.339 14.428 -2.541 505 HE2 MET 63 1HE MET 63 -7.910 13.852 -4.153 506 HE3 MET 63 2HE MET 63 -7.538 12.869 -2.736 507 H GLY 64 H GLY 64 -12.469 8.814 0.284 508 HA2 GLY 64 1HA GLY 64 -14.566 7.868 0.886 509 HA3 GLY 64 2HA GLY 64 -15.342 9.389 0.466 510 H ASP 65 H ASP 65 -13.115 8.692 -1.882 511 HA ASP 65 HA ASP 65 -15.139 7.917 -3.778 512 HB2 ASP 65 1HB ASP 65 -13.355 9.443 -4.467 513 HB3 ASP 65 2HB ASP 65 -12.141 8.226 -4.090 514 H VAL 66 H VAL 66 -12.536 6.426 -2.019 515 HA VAL 66 HA VAL 66 -13.501 3.799 -2.931 516 HB VAL 66 HB VAL 66 -10.648 4.469 -2.161 517 HG11 VAL 66 1HG1 VAL 66 -10.139 2.204 -2.966 518 HG12 VAL 66 2HG1 VAL 66 -11.860 1.917 -3.217 519 HG13 VAL 66 3HG1 VAL 66 -11.239 2.191 -1.589 520 HG21 VAL 66 3HG2 VAL 66 -10.106 4.054 -4.524 521 HG22 VAL 66 1HG2 VAL 66 -11.164 5.449 -4.311 522 HG23 VAL 66 2HG2 VAL 66 -11.827 3.918 -4.879 523 H ALA 67 H ALA 67 -14.136 2.471 -1.316 524 HA ALA 67 HA ALA 67 -14.154 3.432 1.383 525 HB1 ALA 67 3HB ALA 67 -14.933 0.723 0.305 526 HB2 ALA 67 1HB ALA 67 -16.006 2.111 0.480 527 HB3 ALA 67 2HB ALA 67 -15.311 1.349 1.910 528 H GLY 68 H GLY 68 -12.249 1.176 -0.463 529 HA2 GLY 68 1HA GLY 68 -9.878 1.193 0.534 530 HA3 GLY 68 2HA GLY 68 -10.683 0.514 1.944 531 H GLU 69 H GLU 69 -12.557 -0.917 0.112 532 HA GLU 69 HA GLU 69 -11.191 -3.382 0.038 533 HB2 GLU 69 1HB GLU 69 -13.353 -3.718 -1.647 534 HB3 GLU 69 2HB GLU 69 -13.350 -3.974 0.090 535 HG2 GLU 69 1HG GLU 69 -15.234 -2.634 -0.439 536 HG3 GLU 69 2HG GLU 69 -14.063 -1.604 0.375 537 H ILE 70 H ILE 70 -12.173 -1.158 -2.559 538 HA ILE 70 HA ILE 70 -10.965 -2.638 -4.656 539 HB ILE 70 HB ILE 70 -11.528 0.335 -4.521 540 HG12 ILE 70 1HG1 ILE 70 -13.183 -1.916 -5.691 541 HG13 ILE 70 2HG1 ILE 70 -13.525 -1.088 -4.175 542 HG21 ILE 70 1HG2 ILE 70 -9.932 -0.187 -6.275 543 HG22 ILE 70 2HG2 ILE 70 -11.492 0.240 -6.978 544 HG23 ILE 70 3HG2 ILE 70 -10.996 -1.450 -6.896 545 HD11 ILE 70 3HD1 ILE 70 -14.934 -0.263 -5.969 546 HD12 ILE 70 1HD1 ILE 70 -13.506 0.173 -6.907 547 HD13 ILE 70 2HD1 ILE 70 -13.850 1.002 -5.389 548 H ALA 71 H ALA 71 -9.836 -0.057 -2.552 549 HA ALA 71 HA ALA 71 -7.377 0.453 -3.814 550 HB1 ALA 71 3HB ALA 71 -6.733 1.543 -1.723 551 HB2 ALA 71 1HB ALA 71 -8.117 0.809 -0.909 552 HB3 ALA 71 2HB ALA 71 -8.373 1.987 -2.196 553 H ARG 72 H ARG 72 -8.311 -1.840 -1.288 554 HA ARG 72 HA ARG 72 -5.731 -2.750 -0.628 555 HB2 ARG 72 1HB ARG 72 -7.664 -3.277 0.746 556 HB3 ARG 72 2HB ARG 72 -8.383 -4.200 -0.565 557 HG2 ARG 72 1HG ARG 72 -6.363 -5.713 -0.441 558 HG3 ARG 72 2HG ARG 72 -5.952 -4.884 1.062 559 HD2 ARG 72 1HD ARG 72 -7.209 -6.956 1.469 560 HD3 ARG 72 2HD ARG 72 -8.085 -5.529 2.030 561 HE ARG 72 HE ARG 72 -8.688 -6.654 -0.613 562 HH11 ARG 72 1HH1 ARG 72 -9.655 -5.951 2.665 563 HH12 ARG 72 2HH1 ARG 72 -11.347 -6.248 2.377 564 HH21 ARG 72 1HH2 ARG 72 -10.909 -7.002 -1.033 565 HH22 ARG 72 2HH2 ARG 72 -12.069 -6.825 0.251 566 H THR 73 H THR 73 -8.108 -3.998 -2.942 567 HA THR 73 HA THR 73 -6.590 -6.153 -3.894 568 HB THR 73 HB THR 73 -8.636 -4.576 -5.466 569 HG1 THR 73 HG1 THR 73 -10.076 -5.316 -4.105 570 HG21 THR 73 3HG2 THR 73 -9.091 -6.736 -6.535 571 HG22 THR 73 1HG2 THR 73 -7.826 -7.487 -5.564 572 HG23 THR 73 2HG2 THR 73 -7.409 -6.260 -6.759 573 H ALA 74 H ALA 74 -6.841 -2.796 -5.000 574 HA ALA 74 HA ALA 74 -5.135 -3.112 -7.249 575 HB1 ALA 74 3HB ALA 74 -6.759 -1.287 -7.066 576 HB2 ALA 74 1HB ALA 74 -5.127 -0.682 -7.347 577 HB3 ALA 74 2HB ALA 74 -5.831 -0.601 -5.731 578 H PHE 75 H PHE 75 -4.609 -2.239 -3.884 579 HA PHE 75 HA PHE 75 -1.935 -1.401 -4.086 580 HB2 PHE 75 1HB PHE 75 -3.377 -1.047 -2.091 581 HB3 PHE 75 2HB PHE 75 -3.284 -2.769 -1.746 582 HD1 PHE 75 HD1 PHE 75 -1.270 0.315 -2.041 583 HD2 PHE 75 HD2 PHE 75 -1.484 -3.658 -0.535 584 HE1 PHE 75 HE1 PHE 75 0.765 0.707 -0.727 585 HE2 PHE 75 HE2 PHE 75 0.561 -3.273 0.780 586 HZ PHE 75 HZ PHE 75 1.687 -1.086 0.686 587 H VAL 76 H VAL 76 -3.354 -4.591 -3.469 588 HA VAL 76 HA VAL 76 -0.932 -6.005 -3.218 589 HB VAL 76 HB VAL 76 -3.611 -6.991 -4.228 590 HG11 VAL 76 1HG1 VAL 76 -2.814 -9.233 -3.648 591 HG12 VAL 76 2HG1 VAL 76 -1.235 -8.565 -3.234 592 HG13 VAL 76 3HG1 VAL 76 -1.811 -8.498 -4.900 593 HG21 VAL 76 3HG2 VAL 76 -2.366 -7.055 -1.481 594 HG22 VAL 76 1HG2 VAL 76 -3.877 -7.846 -1.930 595 HG23 VAL 76 2HG2 VAL 76 -3.751 -6.086 -1.986 596 H ALA 77 H ALA 77 -2.913 -5.170 -6.013 597 HA ALA 77 HA ALA 77 -1.477 -6.607 -7.958 598 HB1 ALA 77 3HB ALA 77 -2.550 -5.142 -9.584 599 HB2 ALA 77 1HB ALA 77 -3.034 -4.042 -8.294 600 HB3 ALA 77 2HB ALA 77 -3.704 -5.673 -8.361 601 H ALA 78 H ALA 78 -1.026 -3.374 -6.614 602 HA ALA 78 HA ALA 78 1.117 -2.667 -8.369 603 HB1 ALA 78 3HB ALA 78 0.339 -1.497 -5.698 604 HB2 ALA 78 1HB ALA 78 -0.237 -0.959 -7.277 605 HB3 ALA 78 2HB ALA 78 1.466 -0.780 -6.850 606 H SER 79 H SER 79 0.880 -4.155 -5.191 607 HA SER 79 HA SER 79 3.626 -4.031 -4.539 608 HB2 SER 79 1HB SER 79 1.566 -4.588 -3.037 609 HB3 SER 79 2HB SER 79 1.831 -6.245 -3.578 610 HG SER 79 HG SER 79 3.569 -6.368 -2.374 611 H ARG 80 H ARG 80 1.807 -6.049 -6.660 612 HA ARG 80 HA ARG 80 3.549 -8.247 -6.894 613 HB2 ARG 80 1HB ARG 80 1.739 -6.960 -8.945 614 HB3 ARG 80 2HB ARG 80 2.571 -8.485 -9.194 615 HG2 ARG 80 1HG ARG 80 1.352 -9.466 -7.330 616 HG3 ARG 80 2HG ARG 80 0.531 -7.929 -7.054 617 HD2 ARG 80 1HD ARG 80 -0.500 -8.050 -9.238 618 HD3 ARG 80 2HD ARG 80 0.388 -9.527 -9.605 619 HE ARG 80 HE ARG 80 -0.910 -10.364 -7.491 620 HH11 ARG 80 1HH1 ARG 80 -2.125 -8.281 -10.042 621 HH12 ARG 80 2HH1 ARG 80 -3.758 -8.848 -9.887 622 HH21 ARG 80 1HH2 ARG 80 -3.041 -11.107 -7.286 623 HH22 ARG 80 2HH2 ARG 80 -4.296 -10.448 -8.301 624 H GLN 81 H GLN 81 3.573 -5.032 -8.298 625 HA GLN 81 HA GLN 81 5.687 -5.560 -10.149 626 HB2 GLN 81 1HB GLN 81 3.987 -3.728 -10.399 627 HB3 GLN 81 2HB GLN 81 4.772 -2.886 -9.071 628 HG2 GLN 81 1HG GLN 81 5.492 -1.978 -11.187 629 HG3 GLN 81 2HG GLN 81 6.841 -2.768 -10.372 630 HE21 GLN 81 2HE2 GLN 81 7.661 -4.684 -11.205 631 HE22 GLN 81 1HE2 GLN 81 7.312 -5.217 -12.813 632 H ALA 82 H ALA 82 5.463 -4.622 -6.821 633 HA ALA 82 HA ALA 82 8.216 -3.785 -6.596 634 HB1 ALA 82 3HB ALA 82 6.173 -4.364 -4.454 635 HB2 ALA 82 1HB ALA 82 6.505 -2.786 -5.168 636 HB3 ALA 82 2HB ALA 82 7.741 -3.597 -4.206 637 H HIS 83 H HIS 83 6.685 -6.713 -6.865 638 HA HIS 83 HA HIS 83 7.365 -8.872 -6.707 639 HB2 HIS 83 1HB HIS 83 10.080 -7.748 -5.972 640 HB3 HIS 83 2HB HIS 83 9.741 -9.394 -6.487 641 HD1 HIS 83 HD1 HIS 83 8.772 -9.559 -9.054 642 HD2 HIS 83 HD2 HIS 83 10.789 -6.087 -7.977 643 HE1 HIS 83 HE1 HIS 83 9.437 -8.466 -11.215 644 HE2 HIS 83 HE2 HIS 83 10.893 -6.525 -10.525 645 H CYS 84 H CYS 84 6.063 -7.807 -4.525 646 HA CYS 84 HA CYS 84 7.115 -9.472 -2.396 647 HB2 CYS 84 1HB CYS 84 8.115 -7.235 -1.983 648 HB3 CYS 84 2HB CYS 84 6.498 -6.540 -1.940 649 HG CYS 84 HG CYS 84 8.225 -7.821 0.510 650 H LEU 85 H LEU 85 5.339 -10.764 -2.699 651 HA LEU 85 HA LEU 85 2.755 -9.543 -2.021 652 HB2 LEU 85 1HB LEU 85 3.372 -12.026 -3.606 653 HB3 LEU 85 2HB LEU 85 1.760 -11.588 -3.072 654 HG LEU 85 HG LEU 85 3.485 -9.956 -4.929 655 HD11 LEU 85 1HD1 LEU 85 1.824 -10.609 -6.621 656 HD12 LEU 85 2HD1 LEU 85 1.071 -11.680 -5.438 657 HD13 LEU 85 3HD1 LEU 85 2.719 -11.990 -5.985 658 HD21 LEU 85 3HD2 LEU 85 1.988 -8.600 -3.538 659 HD22 LEU 85 1HD2 LEU 85 0.621 -9.579 -4.070 660 HD23 LEU 85 2HD2 LEU 85 1.501 -8.588 -5.235 661 H MET 86 H MET 86 1.920 -9.996 -0.159 662 HA MET 86 HA MET 86 2.405 -12.637 1.039 663 HB2 MET 86 1HB MET 86 2.308 -9.951 2.413 664 HB3 MET 86 2HB MET 86 2.023 -11.451 3.283 665 HG2 MET 86 1HG MET 86 4.532 -10.790 1.757 666 HG3 MET 86 2HG MET 86 4.325 -10.621 3.499 667 HE1 MET 86 3HE MET 86 3.775 -14.360 4.592 668 HE2 MET 86 1HE MET 86 2.550 -13.159 4.188 669 HE3 MET 86 2HE MET 86 3.950 -12.699 5.159 670 H GLU 87 H GLU 87 0.599 -13.715 1.642 671 HA GLU 87 HA GLU 87 -1.933 -12.446 0.947 672 HB2 GLU 87 1HB GLU 87 -1.289 -15.341 1.529 673 HB3 GLU 87 2HB GLU 87 -2.853 -14.732 1.003 674 HG2 GLU 87 1HG GLU 87 -1.824 -13.956 -1.090 675 HG3 GLU 87 2HG GLU 87 -0.283 -14.629 -0.563 676 H ASP 88 H ASP 88 -3.829 -12.958 2.313 677 HA ASP 88 HA ASP 88 -3.378 -12.206 5.016 678 HB2 ASP 88 1HB ASP 88 -5.403 -11.542 3.808 679 HB3 ASP 88 2HB ASP 88 -5.876 -13.228 3.639 680 H LYS 89 H LYS 89 -4.173 -13.481 6.904 681 HA LYS 89 HA LYS 89 -2.953 -16.087 6.780 682 HB2 LYS 89 1HB LYS 89 -4.236 -14.608 9.073 683 HB3 LYS 89 2HB LYS 89 -3.394 -16.144 9.223 684 HG2 LYS 89 1HG LYS 89 -1.353 -15.018 8.325 685 HG3 LYS 89 2HG LYS 89 -2.229 -13.489 8.430 686 HD2 LYS 89 1HD LYS 89 -2.539 -13.826 10.828 687 HD3 LYS 89 2HD LYS 89 -1.675 -15.362 10.727 688 HE2 LYS 89 1HE LYS 89 0.311 -14.122 9.900 689 HE3 LYS 89 2HE LYS 89 -0.563 -12.615 10.177 690 HZ1 LYS 89 3HZ LYS 89 -0.746 -13.233 12.530 691 HZ2 LYS 89 1HZ LYS 89 0.870 -13.092 12.030 692 HZ3 LYS 89 2HZ LYS 89 0.173 -14.626 12.235 693 H ALA 90 H ALA 90 -5.869 -15.224 5.794 694 HA ALA 90 HA ALA 90 -7.610 -17.080 7.002 695 HB1 ALA 90 3HB ALA 90 -9.019 -16.777 5.048 696 HB2 ALA 90 1HB ALA 90 -7.684 -16.029 4.174 697 HB3 ALA 90 2HB ALA 90 -8.379 -15.223 5.580 698 H GLU 91 H GLU 91 -8.132 -19.177 6.498 699 HA GLU 91 HA GLU 91 -6.026 -20.680 5.185 700 HB2 GLU 91 1HB GLU 91 -8.518 -21.631 6.605 701 HB3 GLU 91 2HB GLU 91 -7.204 -22.661 6.051 702 HG2 GLU 91 1HG GLU 91 -5.675 -21.602 7.590 703 HG3 GLU 91 2HG GLU 91 -6.929 -20.473 8.099 704 H ALA 92 H ALA 92 -8.056 -18.982 3.822 705 HA ALA 92 HA ALA 92 -8.380 -20.587 1.503 706 HB1 ALA 92 3HB ALA 92 -10.902 -19.814 2.976 707 HB2 ALA 92 1HB ALA 92 -10.292 -21.454 2.757 708 HB3 ALA 92 2HB ALA 92 -10.828 -20.520 1.361 709 HA PRO 93 HA PRO 93 -7.751 -16.067 0.841 710 HB2 PRO 93 1HB PRO 93 -6.650 -17.185 -1.676 711 HB3 PRO 93 2HB PRO 93 -5.951 -15.997 -0.569 712 HG2 PRO 93 1HG PRO 93 -5.021 -18.495 -0.652 713 HG3 PRO 93 2HG PRO 93 -5.157 -17.620 0.885 714 HD2 PRO 93 1HD PRO 93 -6.926 -19.749 -0.249 715 HD3 PRO 93 2HD PRO 93 -6.395 -19.499 1.427 716 H ASN 94 H ASN 94 -9.109 -18.546 -1.257 717 HA ASN 94 HA ASN 94 -10.490 -16.638 -2.920 718 HB2 ASN 94 1HB ASN 94 -10.923 -19.627 -2.658 719 HB3 ASN 94 2HB ASN 94 -11.606 -18.596 -3.911 720 HD21 ASN 94 2HD2 ASN 94 -8.909 -20.400 -2.871 721 HD22 ASN 94 1HD2 ASN 94 -7.883 -20.087 -4.232 722 H THR 95 H THR 95 -11.883 -15.404 -1.809 723 HA THR 95 HA THR 95 -13.595 -16.578 0.225 724 HB THR 95 HB THR 95 -14.334 -14.151 0.500 725 HG1 THR 95 HG1 THR 95 -12.062 -13.156 -0.594 726 HG21 THR 95 3HG2 THR 95 -12.298 -13.542 1.727 727 HG22 THR 95 1HG2 THR 95 -11.418 -14.827 0.901 728 HG23 THR 95 2HG2 THR 95 -12.734 -15.229 2.003 729 H ILE 96 H ILE 96 -15.932 -15.689 0.242 730 HA ILE 96 HA ILE 96 -17.128 -16.437 -2.288 731 HB ILE 96 HB ILE 96 -18.577 -15.571 0.222 732 HG12 ILE 96 1HG1 ILE 96 -17.068 -17.449 0.740 733 HG13 ILE 96 2HG1 ILE 96 -18.755 -17.947 0.800 734 HG21 ILE 96 1HG2 ILE 96 -20.416 -16.924 -0.711 735 HG22 ILE 96 2HG2 ILE 96 -19.438 -17.236 -2.145 736 HG23 ILE 96 3HG2 ILE 96 -19.960 -15.593 -1.775 737 HD11 ILE 96 3HD1 ILE 96 -16.836 -18.466 -1.460 738 HD12 ILE 96 1HD1 ILE 96 -18.530 -18.957 -1.415 739 HD13 ILE 96 2HD1 ILE 96 -17.382 -19.637 -0.261 740 H ALA 97 H ALA 97 -15.913 -14.399 -3.056 741 HA ALA 97 HA ALA 97 -17.923 -12.435 -3.663 742 HB1 ALA 97 3HB ALA 97 -17.060 -11.519 -1.556 743 HB2 ALA 97 1HB ALA 97 -16.623 -10.492 -2.922 744 HB3 ALA 97 2HB ALA 97 -15.421 -11.566 -2.205 745 H SER 98 H SER 98 -17.700 -12.199 -5.783 746 HA SER 98 HA SER 98 -15.016 -12.107 -6.938 747 HB2 SER 98 1HB SER 98 -15.920 -14.479 -7.000 748 HB3 SER 98 2HB SER 98 -17.170 -13.886 -8.089 749 HG SER 98 HG SER 98 -14.607 -14.542 -8.619 750 H GLY 99 H GLY 99 -14.942 -11.138 -9.030 751 HA2 GLY 99 1HA GLY 99 -15.677 -9.782 -10.757 752 HA3 GLY 99 2HA GLY 99 -17.326 -10.012 -10.191 753 H SER 100 H SER 100 -16.735 -7.560 -11.018 754 HA SER 100 HA SER 100 -16.783 -6.056 -8.514 755 HB2 SER 100 1HB SER 100 -15.099 -5.268 -10.906 756 HB3 SER 100 2HB SER 100 -15.298 -4.327 -9.426 757 HG SER 100 HG SER 100 -14.566 -6.698 -8.632 Start of MODEL 13 1 H1 MET 1 1H MET 1 -1.395 31.179 4.318 2 H2 MET 1 2H MET 1 -0.839 29.610 4.644 3 H3 MET 1 3H MET 1 -1.990 30.325 5.662 4 HA MET 1 HA MET 1 -2.985 28.679 4.182 5 HB2 MET 1 1HB MET 1 -3.762 31.561 3.702 6 HB3 MET 1 2HB MET 1 -4.749 30.185 3.229 7 HG2 MET 1 1HG MET 1 -4.933 29.502 5.563 8 HG3 MET 1 2HG MET 1 -3.929 30.868 6.044 9 HE1 MET 1 3HE MET 1 -6.698 30.863 3.234 10 HE2 MET 1 1HE MET 1 -8.124 31.315 4.167 11 HE3 MET 1 2HE MET 1 -7.339 29.762 4.453 12 H GLU 2 H GLU 2 -0.398 29.649 2.911 13 HA GLU 2 HA GLU 2 -1.244 29.994 0.130 14 HB2 GLU 2 1HB GLU 2 1.564 30.094 1.241 15 HB3 GLU 2 2HB GLU 2 1.027 30.642 -0.338 16 HG2 GLU 2 1HG GLU 2 1.327 32.595 0.888 17 HG3 GLU 2 2HG GLU 2 -0.415 32.326 0.928 18 H VAL 3 H VAL 3 0.249 27.744 2.298 19 HA VAL 3 HA VAL 3 1.392 26.040 0.312 20 HB VAL 3 HB VAL 3 0.639 25.357 3.161 21 HG11 VAL 3 1HG1 VAL 3 1.073 23.400 1.767 22 HG12 VAL 3 2HG1 VAL 3 2.347 23.619 2.965 23 HG13 VAL 3 3HG1 VAL 3 2.628 24.077 1.286 24 HG21 VAL 3 3HG2 VAL 3 2.101 27.305 3.111 25 HG22 VAL 3 1HG2 VAL 3 3.237 26.442 2.076 26 HG23 VAL 3 2HG2 VAL 3 2.962 25.896 3.730 27 H GLN 4 H GLN 4 -1.577 26.049 2.201 28 HA GLN 4 HA GLN 4 -3.533 24.945 2.052 29 HB2 GLN 4 1HB GLN 4 -3.624 25.796 -0.236 30 HB3 GLN 4 2HB GLN 4 -2.686 24.420 -0.804 31 HG2 GLN 4 1HG GLN 4 -4.488 22.915 -0.124 32 HG3 GLN 4 2HG GLN 4 -5.430 24.296 0.430 33 HE21 GLN 4 2HE2 GLN 4 -4.606 25.994 -1.783 34 HE22 GLN 4 1HE2 GLN 4 -5.470 25.422 -3.168 35 H SER 5 H SER 5 -2.732 23.487 3.586 36 HA SER 5 HA SER 5 -1.834 20.887 2.612 37 HB2 SER 5 1HB SER 5 -1.727 20.476 5.183 38 HB3 SER 5 2HB SER 5 -0.530 21.538 4.445 39 HG SER 5 HG SER 5 -1.306 22.622 6.201 40 H MET 6 H MET 6 -2.907 18.926 3.473 41 HA MET 6 HA MET 6 -5.812 19.400 3.709 42 HB2 MET 6 1HB MET 6 -4.383 17.144 2.296 43 HB3 MET 6 2HB MET 6 -6.123 17.244 2.520 44 HG2 MET 6 1HG MET 6 -6.179 19.290 1.193 45 HG3 MET 6 2HG MET 6 -4.433 19.194 0.970 46 HE1 MET 6 3HE MET 6 -7.052 16.257 0.993 47 HE2 MET 6 1HE MET 6 -7.428 16.116 -0.725 48 HE3 MET 6 2HE MET 6 -7.908 17.560 0.167 49 H LEU 7 H LEU 7 -7.004 18.081 5.049 50 HA LEU 7 HA LEU 7 -5.453 16.389 6.899 51 HB2 LEU 7 1HB LEU 7 -6.550 18.280 8.000 52 HB3 LEU 7 2HB LEU 7 -8.092 17.809 7.309 53 HG LEU 7 HG LEU 7 -8.019 15.715 8.627 54 HD11 LEU 7 1HD1 LEU 7 -6.376 15.468 10.411 55 HD12 LEU 7 2HD1 LEU 7 -5.553 16.928 9.865 56 HD13 LEU 7 3HD1 LEU 7 -5.597 15.501 8.829 57 HD21 LEU 7 3HD2 LEU 7 -8.459 16.744 10.800 58 HD22 LEU 7 1HD2 LEU 7 -9.197 17.665 9.491 59 HD23 LEU 7 2HD2 LEU 7 -7.710 18.241 10.244 60 H LEU 8 H LEU 8 -5.650 14.320 6.382 61 HA LEU 8 HA LEU 8 -8.017 13.438 4.921 62 HB2 LEU 8 1HB LEU 8 -5.327 12.152 5.374 63 HB3 LEU 8 2HB LEU 8 -6.662 11.320 4.606 64 HG LEU 8 HG LEU 8 -5.263 12.073 2.861 65 HD11 LEU 8 1HD1 LEU 8 -7.546 14.024 3.109 66 HD12 LEU 8 2HD1 LEU 8 -7.622 12.403 2.413 67 HD13 LEU 8 3HD1 LEU 8 -6.658 13.657 1.628 68 HD21 LEU 8 3HD2 LEU 8 -4.533 14.395 2.602 69 HD22 LEU 8 1HD2 LEU 8 -3.931 13.681 4.099 70 HD23 LEU 8 2HD2 LEU 8 -5.293 14.802 4.141 71 H ASN 9 H ASN 9 -9.551 12.237 5.808 72 HA ASN 9 HA ASN 9 -9.401 11.442 8.568 73 HB2 ASN 9 1HB ASN 9 -11.504 10.880 6.455 74 HB3 ASN 9 2HB ASN 9 -11.670 10.495 8.166 75 HD21 ASN 9 2HD2 ASN 9 -11.690 12.989 5.772 76 HD22 ASN 9 1HD2 ASN 9 -12.277 14.262 6.788 77 H ASP 10 H ASP 10 -8.889 9.462 9.356 78 HA ASP 10 HA ASP 10 -7.730 7.562 7.551 79 HB2 ASP 10 1HB ASP 10 -6.718 7.824 9.733 80 HB3 ASP 10 2HB ASP 10 -8.232 7.408 10.529 81 H VAL 11 H VAL 11 -9.319 6.849 6.220 82 HA VAL 11 HA VAL 11 -11.672 5.537 7.236 83 HB VAL 11 HB VAL 11 -10.515 5.408 4.442 84 HG11 VAL 11 1HG1 VAL 11 -12.195 3.706 4.938 85 HG12 VAL 11 2HG1 VAL 11 -12.799 4.883 3.770 86 HG13 VAL 11 3HG1 VAL 11 -13.318 4.964 5.455 87 HG21 VAL 11 3HG2 VAL 11 -10.847 7.733 5.043 88 HG22 VAL 11 1HG2 VAL 11 -12.487 7.385 5.588 89 HG23 VAL 11 2HG2 VAL 11 -12.073 7.231 3.882 90 H LYS 12 H LYS 12 -11.596 3.549 8.087 91 HA LYS 12 HA LYS 12 -9.149 2.072 7.768 92 HB2 LYS 12 1HB LYS 12 -11.466 1.767 9.644 93 HB3 LYS 12 2HB LYS 12 -10.185 0.561 9.538 94 HG2 LYS 12 1HG LYS 12 -8.543 2.378 10.013 95 HG3 LYS 12 2HG LYS 12 -9.908 3.456 10.304 96 HD2 LYS 12 1HD LYS 12 -10.683 2.015 12.104 97 HD3 LYS 12 2HD LYS 12 -9.353 0.896 11.796 98 HE2 LYS 12 1HE LYS 12 -8.917 2.397 13.706 99 HE3 LYS 12 2HE LYS 12 -7.736 2.580 12.409 100 HZ1 LYS 12 3HZ LYS 12 -8.740 4.586 11.711 101 HZ2 LYS 12 1HZ LYS 12 -8.573 4.697 13.398 102 HZ3 LYS 12 2HZ LYS 12 -10.092 4.355 12.720 103 H TRP 13 H TRP 13 -9.063 -0.181 7.389 104 HA TRP 13 HA TRP 13 -10.562 -0.789 5.023 105 HB2 TRP 13 1HB TRP 13 -8.129 -1.749 6.320 106 HB3 TRP 13 2HB TRP 13 -9.085 -3.042 5.598 107 HD1 TRP 13 HD1 TRP 13 -9.997 -2.169 2.953 108 HE1 TRP 13 HE1 TRP 13 -8.457 -1.327 1.082 109 HE3 TRP 13 HE3 TRP 13 -5.965 -0.816 5.785 110 HZ2 TRP 13 HZ2 TRP 13 -5.858 -0.239 0.833 111 HZ3 TRP 13 HZ3 TRP 13 -3.990 0.112 4.652 112 HH2 TRP 13 HH2 TRP 13 -3.939 0.393 2.224 113 H GLU 14 H GLU 14 -11.855 -2.570 4.642 114 HA GLU 14 HA GLU 14 -13.187 -3.645 7.005 115 HB2 GLU 14 1HB GLU 14 -14.377 -2.836 4.865 116 HB3 GLU 14 2HB GLU 14 -13.830 -4.346 4.147 117 HG2 GLU 14 1HG GLU 14 -15.136 -5.643 5.589 118 HG3 GLU 14 2HG GLU 14 -15.388 -4.300 6.704 119 H LYS 15 H LYS 15 -11.192 -4.664 4.306 120 HA LYS 15 HA LYS 15 -10.488 -7.051 5.876 121 HB2 LYS 15 1HB LYS 15 -10.123 -6.749 2.887 122 HB3 LYS 15 2HB LYS 15 -9.867 -8.196 3.846 123 HG2 LYS 15 1HG LYS 15 -12.384 -8.015 4.385 124 HG3 LYS 15 2HG LYS 15 -12.438 -6.932 2.991 125 HD2 LYS 15 1HD LYS 15 -11.195 -8.803 1.743 126 HD3 LYS 15 2HD LYS 15 -11.676 -9.835 3.088 127 HE2 LYS 15 1HE LYS 15 -13.443 -8.384 1.133 128 HE3 LYS 15 2HE LYS 15 -13.300 -10.120 1.385 129 HZ1 LYS 15 3HZ LYS 15 -14.479 -8.150 3.263 130 HZ2 LYS 15 1HZ LYS 15 -14.252 -9.795 3.622 131 HZ3 LYS 15 2HZ LYS 15 -15.308 -9.328 2.380 132 HA PRO 16 HA PRO 16 -6.984 -4.216 6.349 133 HB2 PRO 16 1HB PRO 16 -6.038 -6.449 8.056 134 HB3 PRO 16 2HB PRO 16 -6.200 -4.732 8.433 135 HG2 PRO 16 1HG PRO 16 -7.921 -6.508 9.418 136 HG3 PRO 16 2HG PRO 16 -8.469 -4.908 8.880 137 HD2 PRO 16 1HD PRO 16 -8.696 -7.554 7.499 138 HD3 PRO 16 2HD PRO 16 -9.877 -6.232 7.601 139 H VAL 17 H VAL 17 -4.916 -4.122 5.576 140 HA VAL 17 HA VAL 17 -4.094 -6.380 3.892 141 HB VAL 17 HB VAL 17 -3.117 -3.518 3.827 142 HG11 VAL 17 1HG1 VAL 17 -1.469 -5.047 2.945 143 HG12 VAL 17 2HG1 VAL 17 -2.205 -4.146 1.618 144 HG13 VAL 17 3HG1 VAL 17 -2.684 -5.816 1.925 145 HG21 VAL 17 3HG2 VAL 17 -4.477 -3.300 1.790 146 HG22 VAL 17 1HG2 VAL 17 -5.462 -3.622 3.217 147 HG23 VAL 17 2HG2 VAL 17 -5.126 -4.916 2.067 148 H THR 18 H THR 18 -2.316 -7.517 4.339 149 HA THR 18 HA THR 18 -0.529 -6.539 6.468 150 HB THR 18 HB THR 18 -0.793 -9.397 5.532 151 HG1 THR 18 HG1 THR 18 -2.697 -8.086 6.655 152 HG21 THR 18 3HG2 THR 18 1.240 -8.833 6.792 153 HG22 THR 18 1HG2 THR 18 0.184 -9.899 7.722 154 HG23 THR 18 2HG2 THR 18 0.247 -8.176 8.095 155 H ILE 19 H ILE 19 1.161 -5.568 5.565 156 HA ILE 19 HA ILE 19 2.195 -6.504 3.010 157 HB ILE 19 HB ILE 19 1.911 -4.083 3.341 158 HG12 ILE 19 1HG1 ILE 19 4.263 -3.381 2.727 159 HG13 ILE 19 2HG1 ILE 19 4.747 -5.049 3.007 160 HG21 ILE 19 1HG2 ILE 19 3.420 -2.832 4.831 161 HG22 ILE 19 2HG2 ILE 19 3.984 -4.364 5.505 162 HG23 ILE 19 3HG2 ILE 19 2.300 -3.880 5.706 163 HD11 ILE 19 3HD1 ILE 19 2.703 -4.129 1.008 164 HD12 ILE 19 1HD1 ILE 19 3.239 -5.790 1.261 165 HD13 ILE 19 2HD1 ILE 19 4.369 -4.582 0.649 166 H SER 20 H SER 20 3.661 -8.059 2.993 167 HA SER 20 HA SER 20 5.071 -8.720 5.423 168 HB2 SER 20 1HB SER 20 4.051 -10.471 3.933 169 HB3 SER 20 2HB SER 20 5.267 -10.073 2.720 170 HG SER 20 HG SER 20 5.754 -11.887 4.184 171 H LEU 21 H LEU 21 6.620 -7.222 5.795 172 HA LEU 21 HA LEU 21 8.501 -6.470 3.733 173 HB2 LEU 21 1HB LEU 21 8.620 -5.960 6.710 174 HB3 LEU 21 2HB LEU 21 9.585 -5.167 5.479 175 HG LEU 21 HG LEU 21 6.594 -4.903 5.803 176 HD11 LEU 21 1HD1 LEU 21 8.830 -2.977 6.403 177 HD12 LEU 21 2HD1 LEU 21 7.811 -3.795 7.585 178 HD13 LEU 21 3HD1 LEU 21 7.109 -2.608 6.484 179 HD21 LEU 21 3HD2 LEU 21 7.280 -4.715 3.472 180 HD22 LEU 21 1HD2 LEU 21 8.495 -3.518 3.916 181 HD23 LEU 21 2HD2 LEU 21 6.782 -3.148 4.111 182 H GLN 22 H GLN 22 10.419 -7.411 3.355 183 HA GLN 22 HA GLN 22 10.904 -10.026 3.902 184 HB2 GLN 22 1HB GLN 22 12.091 -8.715 2.191 185 HB3 GLN 22 2HB GLN 22 13.011 -7.905 3.453 186 HG2 GLN 22 1HG GLN 22 13.924 -10.117 4.120 187 HG3 GLN 22 2HG GLN 22 13.103 -10.823 2.730 188 HE21 GLN 22 2HE2 GLN 22 15.024 -11.489 1.806 189 HE22 GLN 22 1HE2 GLN 22 16.135 -10.377 1.074 190 H ASN 23 H ASN 23 12.523 -7.334 5.594 191 HA ASN 23 HA ASN 23 13.018 -9.187 7.835 192 HB2 ASN 23 1HB ASN 23 14.653 -6.884 6.783 193 HB3 ASN 23 2HB ASN 23 14.877 -7.501 8.415 194 HD21 ASN 23 2HD2 ASN 23 16.992 -8.119 7.931 195 HD22 ASN 23 1HD2 ASN 23 17.331 -9.522 6.972 196 H GLY 24 H GLY 24 11.017 -6.823 6.909 197 HA2 GLY 24 1HA GLY 24 11.016 -5.383 9.472 198 HA3 GLY 24 2HA GLY 24 10.196 -4.866 8.008 199 H ALA 25 H ALA 25 9.574 -8.019 8.105 200 HA ALA 25 HA ALA 25 7.999 -9.441 8.905 201 HB1 ALA 25 3HB ALA 25 7.370 -7.358 10.991 202 HB2 ALA 25 1HB ALA 25 8.568 -8.643 11.161 203 HB3 ALA 25 2HB ALA 25 6.858 -9.046 10.996 204 HA PRO 26 HA PRO 26 4.238 -8.213 6.816 205 HB2 PRO 26 1HB PRO 26 2.892 -10.175 8.572 206 HB3 PRO 26 2HB PRO 26 2.984 -10.122 6.808 207 HG2 PRO 26 1HG PRO 26 4.353 -11.941 8.213 208 HG3 PRO 26 2HG PRO 26 5.030 -11.202 6.750 209 HD2 PRO 26 1HD PRO 26 5.613 -10.601 9.623 210 HD3 PRO 26 2HD PRO 26 6.728 -10.703 8.243 211 H ARG 27 H ARG 27 3.720 -6.214 7.492 212 HA ARG 27 HA ARG 27 2.614 -5.872 10.183 213 HB2 ARG 27 1HB ARG 27 3.608 -3.845 8.174 214 HB3 ARG 27 2HB ARG 27 2.929 -3.441 9.747 215 HG2 ARG 27 1HG ARG 27 4.720 -4.682 10.843 216 HG3 ARG 27 2HG ARG 27 5.400 -5.092 9.270 217 HD2 ARG 27 1HD ARG 27 5.818 -2.753 8.807 218 HD3 ARG 27 2HD ARG 27 5.042 -2.291 10.323 219 HE ARG 27 HE ARG 27 7.326 -4.090 10.522 220 HH11 ARG 27 1HH1 ARG 27 6.161 -0.780 10.642 221 HH12 ARG 27 2HH1 ARG 27 7.456 -0.226 11.667 222 HH21 ARG 27 1HH2 ARG 27 9.023 -3.372 11.884 223 HH22 ARG 27 2HH2 ARG 27 9.086 -1.705 12.372 224 H ILE 28 H ILE 28 0.583 -5.105 10.547 225 HA ILE 28 HA ILE 28 -1.237 -5.460 8.285 226 HB ILE 28 HB ILE 28 -1.874 -5.311 11.237 227 HG12 ILE 28 1HG1 ILE 28 -1.681 -7.741 9.444 228 HG13 ILE 28 2HG1 ILE 28 -0.465 -7.269 10.627 229 HG21 ILE 28 1HG2 ILE 28 -4.041 -6.253 10.583 230 HG22 ILE 28 2HG2 ILE 28 -3.560 -6.177 8.889 231 HG23 ILE 28 3HG2 ILE 28 -3.754 -4.690 9.818 232 HD11 ILE 28 3HD1 ILE 28 -3.310 -8.043 11.226 233 HD12 ILE 28 1HD1 ILE 28 -2.102 -7.561 12.415 234 HD13 ILE 28 2HD1 ILE 28 -1.878 -9.040 11.484 235 H PHE 29 H PHE 29 -2.102 -3.753 7.327 236 HA PHE 29 HA PHE 29 -2.075 -1.167 8.652 237 HB2 PHE 29 1HB PHE 29 -2.937 -1.990 5.874 238 HB3 PHE 29 2HB PHE 29 -2.990 -0.336 6.477 239 HD1 PHE 29 HD2 PHE 29 -0.588 0.171 7.792 240 HD2 PHE 29 HD1 PHE 29 -1.218 -2.305 4.388 241 HE1 PHE 29 HE2 PHE 29 1.755 0.497 7.127 242 HE2 PHE 29 HE1 PHE 29 1.126 -1.983 3.718 243 HZ PHE 29 HZ PHE 29 2.614 -0.581 5.090 244 H ASN 30 H ASN 30 -3.668 -0.531 9.869 245 HA ASN 30 HA ASN 30 -6.228 -1.891 9.850 246 HB2 ASN 30 1HB ASN 30 -5.303 0.507 11.458 247 HB3 ASN 30 2HB ASN 30 -6.772 -0.418 11.743 248 HD21 ASN 30 2HD2 ASN 30 -3.301 -0.393 11.965 249 HD22 ASN 30 1HD2 ASN 30 -3.168 -1.745 13.043 250 H GLY 31 H GLY 31 -4.866 1.210 8.951 251 HA2 GLY 31 1HA GLY 31 -7.445 1.905 7.726 252 HA3 GLY 31 2HA GLY 31 -6.484 3.099 8.581 253 H VAL 32 H VAL 32 -7.390 3.229 5.869 254 HA VAL 32 HA VAL 32 -5.298 2.589 4.071 255 HB VAL 32 HB VAL 32 -7.392 4.754 3.771 256 HG11 VAL 32 1HG1 VAL 32 -7.042 4.427 1.364 257 HG12 VAL 32 2HG1 VAL 32 -5.748 3.282 1.712 258 HG13 VAL 32 3HG1 VAL 32 -5.577 4.977 2.174 259 HG21 VAL 32 3HG2 VAL 32 -8.448 2.615 4.230 260 HG22 VAL 32 1HG2 VAL 32 -7.490 1.847 2.965 261 HG23 VAL 32 2HG2 VAL 32 -8.693 3.065 2.543 262 H TYR 33 H TYR 33 -5.947 5.312 6.170 263 HA TYR 33 HA TYR 33 -3.979 7.056 5.093 264 HB2 TYR 33 1HB TYR 33 -5.765 7.880 6.566 265 HB3 TYR 33 2HB TYR 33 -5.125 6.919 7.894 266 HD1 TYR 33 HD1 TYR 33 -4.600 9.893 5.808 267 HD2 TYR 33 HD2 TYR 33 -3.147 7.625 9.104 268 HE1 TYR 33 HE1 TYR 33 -3.153 11.770 6.456 269 HE2 TYR 33 HE2 TYR 33 -1.698 9.499 9.762 270 HH TYR 33 HH TYR 33 -0.613 11.464 8.628 271 H GLU 34 H GLU 34 -3.963 4.517 7.510 272 HA GLU 34 HA GLU 34 -1.355 4.924 8.495 273 HB2 GLU 34 1HB GLU 34 -3.029 3.563 9.650 274 HB3 GLU 34 2HB GLU 34 -3.000 2.394 8.341 275 HG2 GLU 34 1HG GLU 34 -0.801 1.707 8.884 276 HG3 GLU 34 2HG GLU 34 -0.587 3.060 9.994 277 H ALA 35 H ALA 35 -2.622 3.051 5.789 278 HA ALA 35 HA ALA 35 -0.134 1.918 5.004 279 HB1 ALA 35 3HB ALA 35 -2.584 2.460 3.327 280 HB2 ALA 35 1HB ALA 35 -2.292 1.004 4.278 281 HB3 ALA 35 2HB ALA 35 -1.250 1.385 2.907 282 H PHE 36 H PHE 36 -1.969 4.738 3.893 283 HA PHE 36 HA PHE 36 -0.227 5.729 1.971 284 HB2 PHE 36 1HB PHE 36 -2.499 6.585 2.371 285 HB3 PHE 36 2HB PHE 36 -1.983 7.258 3.909 286 HD1 PHE 36 HD1 PHE 36 -1.689 7.557 0.254 287 HD2 PHE 36 HD2 PHE 36 -0.865 9.347 4.026 288 HE1 PHE 36 HE1 PHE 36 -1.139 9.673 -0.874 289 HE2 PHE 36 HE2 PHE 36 -0.308 11.464 2.905 290 HZ PHE 36 HZ PHE 36 -0.443 11.629 0.452 291 H ASP 37 H ASP 37 -0.279 6.264 5.457 292 HA ASP 37 HA ASP 37 1.854 8.056 5.668 293 HB2 ASP 37 1HB ASP 37 0.348 7.617 7.528 294 HB3 ASP 37 2HB ASP 37 0.889 5.944 7.609 295 H PHE 38 H PHE 38 1.824 4.513 5.809 296 HA PHE 38 HA PHE 38 4.569 4.119 6.235 297 HB2 PHE 38 1HB PHE 38 3.005 2.314 6.563 298 HB3 PHE 38 2HB PHE 38 2.497 2.382 4.882 299 HD1 PHE 38 HD2 PHE 38 5.476 1.699 7.010 300 HD2 PHE 38 HD1 PHE 38 3.483 0.982 3.311 301 HE1 PHE 38 HE2 PHE 38 7.148 -0.013 6.437 302 HE2 PHE 38 HE1 PHE 38 5.151 -0.726 2.741 303 HZ PHE 38 HZ PHE 38 6.984 -1.229 4.300 304 H LEU 39 H LEU 39 2.696 4.470 3.271 305 HA LEU 39 HA LEU 39 4.689 3.796 1.427 306 HB2 LEU 39 1HB LEU 39 2.371 5.705 1.147 307 HB3 LEU 39 2HB LEU 39 3.347 5.124 -0.190 308 HG LEU 39 HG LEU 39 1.680 3.368 1.612 309 HD11 LEU 39 1HD1 LEU 39 0.190 3.150 -0.315 310 HD12 LEU 39 2HD1 LEU 39 1.158 4.332 -1.196 311 HD13 LEU 39 3HD1 LEU 39 0.275 4.817 0.253 312 HD21 LEU 39 3HD2 LEU 39 2.132 1.640 -0.050 313 HD22 LEU 39 1HD2 LEU 39 3.630 2.237 0.665 314 HD23 LEU 39 2HD2 LEU 39 3.153 2.762 -0.950 315 H GLN 40 H GLN 40 3.956 6.882 2.989 316 HA GLN 40 HA GLN 40 5.996 8.230 1.436 317 HB2 GLN 40 1HB GLN 40 4.273 9.212 3.719 318 HB3 GLN 40 2HB GLN 40 5.415 10.214 2.833 319 HG2 GLN 40 1HG GLN 40 4.131 9.699 0.753 320 HG3 GLN 40 2HG GLN 40 2.931 8.894 1.763 321 HE21 GLN 40 2HE2 GLN 40 2.653 11.231 0.040 322 HE22 GLN 40 1HE2 GLN 40 2.082 12.513 1.053 323 H HIS 41 H HIS 41 5.844 6.469 4.350 324 HA HIS 41 HA HIS 41 8.166 7.644 5.562 325 HB2 HIS 41 1HB HIS 41 6.442 5.296 6.110 326 HB3 HIS 41 2HB HIS 41 8.109 5.175 6.659 327 HD1 HIS 41 HD1 HIS 41 8.833 6.687 8.604 328 HD2 HIS 41 HD2 HIS 41 4.870 7.188 7.457 329 HE1 HIS 41 HE1 HIS 41 7.755 8.015 10.448 330 HE2 HIS 41 HE2 HIS 41 5.325 8.169 9.804 331 H GLU 42 H GLU 42 7.639 4.428 4.157 332 HA GLU 42 HA GLU 42 9.769 4.562 2.346 333 HB2 GLU 42 1HB GLU 42 11.179 4.500 4.363 334 HB3 GLU 42 2HB GLU 42 10.396 3.008 4.867 335 HG2 GLU 42 1HG GLU 42 11.258 1.876 2.893 336 HG3 GLU 42 2HG GLU 42 12.022 3.373 2.361 337 H TRP 43 H TRP 43 8.141 3.680 1.066 338 HA TRP 43 HA TRP 43 7.118 1.056 1.558 339 HB2 TRP 43 1HB TRP 43 5.766 2.249 0.086 340 HB3 TRP 43 2HB TRP 43 7.137 2.950 -0.768 341 HD1 TRP 43 HD1 TRP 43 8.139 1.622 -2.784 342 HE1 TRP 43 HE1 TRP 43 7.385 -0.438 -4.099 343 HE3 TRP 43 HE3 TRP 43 4.451 -0.043 0.355 344 HZ2 TRP 43 HZ2 TRP 43 5.452 -2.485 -3.877 345 HZ3 TRP 43 HZ3 TRP 43 3.193 -2.057 -0.284 346 HH2 TRP 43 HH2 TRP 43 3.684 -3.250 -2.354 347 HA PRO 44 HA PRO 44 10.748 -1.290 0.442 348 HB2 PRO 44 1HB PRO 44 9.454 -3.600 -0.311 349 HB3 PRO 44 2HB PRO 44 9.823 -3.160 1.360 350 HG2 PRO 44 1HG PRO 44 7.272 -2.843 -0.167 351 HG3 PRO 44 2HG PRO 44 7.517 -3.368 1.509 352 HD2 PRO 44 1HD PRO 44 6.719 -0.875 0.925 353 HD3 PRO 44 2HD PRO 44 7.827 -1.203 2.275 354 H ALA 45 H ALA 45 11.652 -0.529 -1.321 355 HA ALA 45 HA ALA 45 12.528 -0.820 -3.412 356 HB1 ALA 45 3HB ALA 45 11.378 -2.963 -3.721 357 HB2 ALA 45 1HB ALA 45 11.402 -1.998 -5.196 358 HB3 ALA 45 2HB ALA 45 9.929 -2.102 -4.234 359 H ARG 46 H ARG 46 11.791 -0.055 -5.759 360 HA ARG 46 HA ARG 46 10.256 2.422 -5.403 361 HB2 ARG 46 1HB ARG 46 12.009 3.697 -6.535 362 HB3 ARG 46 2HB ARG 46 12.650 2.940 -5.081 363 HG2 ARG 46 1HG ARG 46 13.649 1.172 -6.431 364 HG3 ARG 46 2HG ARG 46 12.987 1.906 -7.891 365 HD2 ARG 46 1HD ARG 46 14.305 3.954 -7.376 366 HD3 ARG 46 2HD ARG 46 15.053 3.083 -6.035 367 HE ARG 46 HE ARG 46 15.239 1.749 -8.595 368 HH11 ARG 46 1HH1 ARG 46 16.769 4.043 -6.421 369 HH12 ARG 46 2HH1 ARG 46 18.365 3.766 -7.062 370 HH21 ARG 46 1HH2 ARG 46 17.314 1.430 -9.452 371 HH22 ARG 46 2HH2 ARG 46 18.668 2.305 -8.806 372 H GLY 47 H GLY 47 10.337 3.558 -7.750 373 HA2 GLY 47 1HA GLY 47 10.678 2.204 -10.100 374 HA3 GLY 47 2HA GLY 47 9.066 1.737 -9.569 375 H ASP 48 H ASP 48 7.406 3.141 -9.778 376 HA ASP 48 HA ASP 48 7.685 5.929 -9.922 377 HB2 ASP 48 1HB ASP 48 7.056 6.315 -12.290 378 HB3 ASP 48 2HB ASP 48 8.643 5.584 -12.119 379 H ARG 49 H ARG 49 5.531 3.785 -11.771 380 HA ARG 49 HA ARG 49 3.294 5.390 -10.961 381 HB2 ARG 49 1HB ARG 49 3.402 2.865 -12.618 382 HB3 ARG 49 2HB ARG 49 2.023 3.955 -12.487 383 HG2 ARG 49 1HG ARG 49 3.091 5.652 -13.660 384 HG3 ARG 49 2HG ARG 49 4.690 4.961 -13.391 385 HD2 ARG 49 1HD ARG 49 3.432 2.969 -14.770 386 HD3 ARG 49 2HD ARG 49 2.729 4.421 -15.491 387 HE ARG 49 HE ARG 49 5.648 4.227 -15.217 388 HH11 ARG 49 1HH1 ARG 49 2.808 4.338 -17.277 389 HH12 ARG 49 2HH1 ARG 49 3.724 4.608 -18.724 390 HH21 ARG 49 1HH2 ARG 49 6.846 4.563 -17.110 391 HH22 ARG 49 2HH2 ARG 49 6.031 4.747 -18.637 392 H ALA 50 H ALA 50 4.644 2.330 -9.990 393 HA ALA 50 HA ALA 50 2.427 1.296 -8.603 394 HB1 ALA 50 3HB ALA 50 5.351 0.998 -7.922 395 HB2 ALA 50 1HB ALA 50 4.452 -0.013 -9.053 396 HB3 ALA 50 2HB ALA 50 4.038 -0.025 -7.337 397 H HIS 51 H HIS 51 4.884 3.642 -7.728 398 HA HIS 51 HA HIS 51 3.975 3.925 -5.012 399 HB2 HIS 51 1HB HIS 51 6.351 4.301 -5.820 400 HB3 HIS 51 2HB HIS 51 5.780 5.780 -6.583 401 HD1 HIS 51 HD1 HIS 51 7.292 4.585 -3.572 402 HD2 HIS 51 HD2 HIS 51 4.619 7.628 -4.525 403 HE1 HIS 51 HE1 HIS 51 7.361 6.181 -1.632 404 HE2 HIS 51 HE2 HIS 51 5.942 8.132 -2.358 405 H GLU 52 H GLU 52 3.664 5.667 -8.059 406 HA GLU 52 HA GLU 52 2.318 7.933 -7.108 407 HB2 GLU 52 1HB GLU 52 2.296 6.591 -9.808 408 HB3 GLU 52 2HB GLU 52 1.485 8.117 -9.487 409 HG2 GLU 52 1HG GLU 52 4.432 7.572 -9.240 410 HG3 GLU 52 2HG GLU 52 3.634 8.503 -10.506 411 H GLN 53 H GLN 53 0.972 4.970 -8.581 412 HA GLN 53 HA GLN 53 -1.717 5.790 -8.326 413 HB2 GLN 53 1HB GLN 53 -0.498 3.052 -8.654 414 HB3 GLN 53 2HB GLN 53 -2.232 3.344 -8.658 415 HG2 GLN 53 1HG GLN 53 -0.227 4.458 -10.605 416 HG3 GLN 53 2HG GLN 53 -1.391 3.172 -10.914 417 HE21 GLN 53 2HE2 GLN 53 -1.073 5.691 -12.303 418 HE22 GLN 53 1HE2 GLN 53 -2.588 6.521 -12.162 419 H ALA 54 H ALA 54 0.426 3.984 -6.204 420 HA ALA 54 HA ALA 54 -1.441 3.013 -4.381 421 HB1 ALA 54 3HB ALA 54 0.934 2.369 -4.404 422 HB2 ALA 54 1HB ALA 54 0.390 2.863 -2.799 423 HB3 ALA 54 2HB ALA 54 1.357 3.965 -3.781 424 H LEU 55 H LEU 55 0.299 6.119 -4.395 425 HA LEU 55 HA LEU 55 -0.876 7.110 -2.018 426 HB2 LEU 55 1HB LEU 55 0.256 8.648 -4.355 427 HB3 LEU 55 2HB LEU 55 -0.071 9.304 -2.763 428 HG LEU 55 HG LEU 55 1.986 7.193 -3.418 429 HD11 LEU 55 1HD1 LEU 55 3.599 8.936 -2.841 430 HD12 LEU 55 2HD1 LEU 55 2.281 10.085 -2.620 431 HD13 LEU 55 3HD1 LEU 55 2.601 9.408 -4.215 432 HD21 LEU 55 3HD2 LEU 55 2.698 7.458 -1.093 433 HD22 LEU 55 1HD2 LEU 55 1.043 6.857 -1.196 434 HD23 LEU 55 2HD2 LEU 55 1.344 8.550 -0.801 435 H ARG 56 H ARG 56 -1.711 7.450 -5.433 436 HA ARG 56 HA ARG 56 -3.802 9.303 -5.136 437 HB2 ARG 56 1HB ARG 56 -3.206 7.232 -7.243 438 HB3 ARG 56 2HB ARG 56 -4.591 8.308 -7.358 439 HG2 ARG 56 1HG ARG 56 -3.249 10.208 -7.579 440 HG3 ARG 56 2HG ARG 56 -1.814 9.369 -6.986 441 HD2 ARG 56 1HD ARG 56 -1.729 8.025 -8.995 442 HD3 ARG 56 2HD ARG 56 -3.234 8.740 -9.570 443 HE ARG 56 HE ARG 56 -2.010 10.448 -10.419 444 HH11 ARG 56 1HH1 ARG 56 -0.177 9.119 -7.737 445 HH12 ARG 56 2HH1 ARG 56 1.245 10.059 -8.094 446 HH21 ARG 56 1HH2 ARG 56 -0.137 11.709 -10.834 447 HH22 ARG 56 2HH2 ARG 56 1.260 11.523 -9.818 448 H LEU 57 H LEU 57 -3.859 5.749 -5.228 449 HA LEU 57 HA LEU 57 -6.669 5.512 -5.016 450 HB2 LEU 57 1HB LEU 57 -4.476 3.572 -4.286 451 HB3 LEU 57 2HB LEU 57 -6.181 3.163 -4.336 452 HG LEU 57 HG LEU 57 -4.552 4.093 -6.703 453 HD11 LEU 57 1HD1 LEU 57 -3.872 1.881 -5.966 454 HD12 LEU 57 2HD1 LEU 57 -4.768 1.784 -7.482 455 HD13 LEU 57 3HD1 LEU 57 -5.553 1.348 -5.963 456 HD21 LEU 57 3HD2 LEU 57 -6.894 4.723 -6.884 457 HD22 LEU 57 1HD2 LEU 57 -7.383 3.069 -6.518 458 HD23 LEU 57 2HD2 LEU 57 -6.513 3.421 -8.011 459 H CYS 58 H CYS 58 -4.087 5.567 -2.586 460 HA CYS 58 HA CYS 58 -5.737 5.087 -0.353 461 HB2 CYS 58 1HB CYS 58 -3.145 6.637 -0.551 462 HB3 CYS 58 2HB CYS 58 -3.912 6.162 0.961 463 HG CYS 58 HG CYS 58 -2.387 4.181 -1.348 464 H ARG 59 H ARG 59 -4.708 8.093 -1.927 465 HA ARG 59 HA ARG 59 -5.936 9.902 -0.190 466 HB2 ARG 59 1HB ARG 59 -4.351 10.622 -1.898 467 HB3 ARG 59 2HB ARG 59 -5.465 10.135 -3.169 468 HG2 ARG 59 1HG ARG 59 -7.078 11.816 -2.348 469 HG3 ARG 59 2HG ARG 59 -5.876 12.344 -1.169 470 HD2 ARG 59 1HD ARG 59 -4.358 12.958 -2.956 471 HD3 ARG 59 2HD ARG 59 -5.494 12.353 -4.161 472 HE ARG 59 HE ARG 59 -6.979 14.180 -2.889 473 HH11 ARG 59 1HH1 ARG 59 -3.724 14.329 -4.184 474 HH12 ARG 59 2HH1 ARG 59 -3.805 16.038 -4.512 475 HH21 ARG 59 1HH2 ARG 59 -7.083 16.428 -3.333 476 HH22 ARG 59 2HH2 ARG 59 -5.702 17.214 -4.042 477 H ALA 60 H ALA 60 -7.189 8.399 -3.161 478 HA ALA 60 HA ALA 60 -9.687 9.663 -3.174 479 HB1 ALA 60 3HB ALA 60 -8.778 8.449 -5.096 480 HB2 ALA 60 1HB ALA 60 -10.398 7.889 -4.683 481 HB3 ALA 60 2HB ALA 60 -8.990 6.926 -4.234 482 H SER 61 H SER 61 -8.588 6.731 -1.557 483 HA SER 61 HA SER 61 -11.118 5.900 -0.604 484 HB2 SER 61 1HB SER 61 -8.395 5.408 0.625 485 HB3 SER 61 2HB SER 61 -9.862 4.480 0.933 486 HG SER 61 HG SER 61 -8.309 4.613 -1.432 487 H LEU 62 H LEU 62 -8.589 7.977 0.734 488 HA LEU 62 HA LEU 62 -9.872 8.401 3.247 489 HB2 LEU 62 1HB LEU 62 -7.784 10.090 1.864 490 HB3 LEU 62 2HB LEU 62 -8.205 10.154 3.565 491 HG LEU 62 HG LEU 62 -6.963 7.774 2.181 492 HD11 LEU 62 1HD1 LEU 62 -4.943 8.358 3.429 493 HD12 LEU 62 2HD1 LEU 62 -5.736 9.815 4.028 494 HD13 LEU 62 3HD1 LEU 62 -5.406 9.637 2.305 495 HD21 LEU 62 3HD2 LEU 62 -6.646 6.909 4.443 496 HD22 LEU 62 1HD2 LEU 62 -8.356 7.145 4.081 497 HD23 LEU 62 2HD2 LEU 62 -7.501 8.304 5.099 498 H MET 63 H MET 63 -10.386 9.625 0.123 499 HA MET 63 HA MET 63 -11.790 11.999 1.101 500 HB2 MET 63 1HB MET 63 -11.073 11.077 -1.683 501 HB3 MET 63 2HB MET 63 -12.070 12.489 -1.359 502 HG2 MET 63 1HG MET 63 -10.235 13.525 -0.141 503 HG3 MET 63 2HG MET 63 -9.232 12.105 -0.427 504 HE1 MET 63 3HE MET 63 -11.764 13.664 -2.984 505 HE2 MET 63 1HE MET 63 -10.752 14.845 -3.816 506 HE3 MET 63 2HE MET 63 -11.165 15.077 -2.117 507 H GLY 64 H GLY 64 -12.502 8.875 0.873 508 HA2 GLY 64 1HA GLY 64 -14.555 7.857 1.158 509 HA3 GLY 64 2HA GLY 64 -15.327 9.409 0.879 510 H ASP 65 H ASP 65 -13.160 8.673 -1.598 511 HA ASP 65 HA ASP 65 -15.399 8.171 -3.389 512 HB2 ASP 65 1HB ASP 65 -12.488 8.770 -3.933 513 HB3 ASP 65 2HB ASP 65 -13.682 8.477 -5.192 514 H VAL 66 H VAL 66 -12.824 6.490 -1.891 515 HA VAL 66 HA VAL 66 -13.601 4.065 -3.373 516 HB VAL 66 HB VAL 66 -10.850 4.713 -2.278 517 HG11 VAL 66 1HG1 VAL 66 -11.346 2.348 -1.999 518 HG12 VAL 66 2HG1 VAL 66 -10.157 2.576 -3.280 519 HG13 VAL 66 3HG1 VAL 66 -11.837 2.234 -3.688 520 HG21 VAL 66 3HG2 VAL 66 -10.131 4.625 -4.614 521 HG22 VAL 66 1HG2 VAL 66 -11.337 5.886 -4.357 522 HG23 VAL 66 2HG2 VAL 66 -11.801 4.364 -5.117 523 H ALA 67 H ALA 67 -14.148 2.327 -2.145 524 HA ALA 67 HA ALA 67 -14.740 2.778 0.600 525 HB1 ALA 67 3HB ALA 67 -14.893 0.218 -0.982 526 HB2 ALA 67 1HB ALA 67 -16.171 1.425 -0.848 527 HB3 ALA 67 2HB ALA 67 -15.652 0.530 0.578 528 H GLY 68 H GLY 68 -12.208 1.018 -1.104 529 HA2 GLY 68 1HA GLY 68 -10.110 1.333 0.360 530 HA3 GLY 68 2HA GLY 68 -11.017 0.354 1.500 531 H GLU 69 H GLU 69 -12.121 -1.554 -0.162 532 HA GLU 69 HA GLU 69 -9.956 -3.347 -0.301 533 HB2 GLU 69 1HB GLU 69 -12.784 -3.526 -1.307 534 HB3 GLU 69 2HB GLU 69 -11.637 -4.852 -1.464 535 HG2 GLU 69 1HG GLU 69 -11.401 -5.014 0.912 536 HG3 GLU 69 2HG GLU 69 -12.370 -3.560 1.150 537 H ILE 70 H ILE 70 -11.466 -1.347 -2.756 538 HA ILE 70 HA ILE 70 -10.324 -2.471 -5.044 539 HB ILE 70 HB ILE 70 -10.784 0.468 -4.481 540 HG12 ILE 70 1HG1 ILE 70 -12.562 -1.565 -5.851 541 HG13 ILE 70 2HG1 ILE 70 -12.801 -0.947 -4.221 542 HG21 ILE 70 1HG2 ILE 70 -9.294 0.140 -6.375 543 HG22 ILE 70 2HG2 ILE 70 -10.869 0.713 -6.923 544 HG23 ILE 70 3HG2 ILE 70 -10.439 -0.988 -7.100 545 HD11 ILE 70 3HD1 ILE 70 -12.894 0.678 -6.751 546 HD12 ILE 70 1HD1 ILE 70 -13.140 1.294 -5.118 547 HD13 ILE 70 2HD1 ILE 70 -14.281 0.139 -5.805 548 H ALA 71 H ALA 71 -9.018 -0.064 -2.795 549 HA ALA 71 HA ALA 71 -6.500 0.176 -4.108 550 HB1 ALA 71 3HB ALA 71 -7.399 1.950 -2.674 551 HB2 ALA 71 1HB ALA 71 -5.810 1.420 -2.128 552 HB3 ALA 71 2HB ALA 71 -7.258 0.889 -1.273 553 H ARG 72 H ARG 72 -7.816 -1.889 -1.622 554 HA ARG 72 HA ARG 72 -5.446 -2.965 -0.589 555 HB2 ARG 72 1HB ARG 72 -7.374 -3.460 0.635 556 HB3 ARG 72 2HB ARG 72 -8.266 -3.970 -0.793 557 HG2 ARG 72 1HG ARG 72 -6.858 -5.974 -0.936 558 HG3 ARG 72 2HG ARG 72 -6.008 -5.466 0.524 559 HD2 ARG 72 1HD ARG 72 -7.857 -5.840 1.879 560 HD3 ARG 72 2HD ARG 72 -8.984 -5.777 0.523 561 HE ARG 72 HE ARG 72 -8.155 -7.953 -0.162 562 HH11 ARG 72 1HH1 ARG 72 -7.368 -6.936 3.102 563 HH12 ARG 72 2HH1 ARG 72 -7.078 -8.552 3.666 564 HH21 ARG 72 1HH2 ARG 72 -7.798 -10.072 0.583 565 HH22 ARG 72 2HH2 ARG 72 -7.335 -10.334 2.248 566 H THR 73 H THR 73 -7.554 -4.249 -3.171 567 HA THR 73 HA THR 73 -5.889 -6.423 -3.822 568 HB THR 73 HB THR 73 -7.794 -5.016 -5.699 569 HG1 THR 73 HG1 THR 73 -9.375 -6.417 -4.800 570 HG21 THR 73 3HG2 THR 73 -8.069 -7.263 -6.656 571 HG22 THR 73 1HG2 THR 73 -6.874 -7.888 -5.521 572 HG23 THR 73 2HG2 THR 73 -6.393 -6.721 -6.753 573 H ALA 74 H ALA 74 -5.987 -3.098 -4.947 574 HA ALA 74 HA ALA 74 -4.121 -3.438 -7.072 575 HB1 ALA 74 3HB ALA 74 -4.046 -1.006 -7.133 576 HB2 ALA 74 1HB ALA 74 -4.901 -0.931 -5.593 577 HB3 ALA 74 2HB ALA 74 -5.708 -1.583 -7.020 578 H PHE 75 H PHE 75 -3.848 -2.731 -3.655 579 HA PHE 75 HA PHE 75 -1.181 -1.847 -3.584 580 HB2 PHE 75 1HB PHE 75 -3.007 -1.913 -1.717 581 HB3 PHE 75 2HB PHE 75 -2.396 -3.532 -1.402 582 HD1 PHE 75 HD2 PHE 75 -1.533 0.046 -1.427 583 HD2 PHE 75 HD1 PHE 75 -0.342 -3.862 -0.225 584 HE1 PHE 75 HE2 PHE 75 0.220 1.020 -0.002 585 HE2 PHE 75 HE1 PHE 75 1.405 -2.891 1.203 586 HZ PHE 75 HZ PHE 75 1.689 -0.448 1.312 587 H VAL 76 H VAL 76 -2.613 -5.069 -3.353 588 HA VAL 76 HA VAL 76 -0.221 -6.528 -3.074 589 HB VAL 76 HB VAL 76 -2.827 -7.397 -4.347 590 HG11 VAL 76 1HG1 VAL 76 -0.985 -8.877 -4.956 591 HG12 VAL 76 2HG1 VAL 76 -2.100 -9.677 -3.848 592 HG13 VAL 76 3HG1 VAL 76 -0.558 -9.058 -3.254 593 HG21 VAL 76 3HG2 VAL 76 -1.832 -7.698 -1.515 594 HG22 VAL 76 1HG2 VAL 76 -3.334 -8.362 -2.156 595 HG23 VAL 76 2HG2 VAL 76 -3.115 -6.616 -2.053 596 H ALA 77 H ALA 77 -2.016 -5.429 -5.913 597 HA ALA 77 HA ALA 77 -0.447 -6.738 -7.860 598 HB1 ALA 77 3HB ALA 77 -2.035 -4.187 -8.114 599 HB2 ALA 77 1HB ALA 77 -2.652 -5.821 -8.361 600 HB3 ALA 77 2HB ALA 77 -1.429 -5.165 -9.451 601 H ALA 78 H ALA 78 -0.178 -3.555 -6.332 602 HA ALA 78 HA ALA 78 2.011 -2.649 -7.887 603 HB1 ALA 78 3HB ALA 78 1.211 -1.827 -5.098 604 HB2 ALA 78 1HB ALA 78 0.578 -1.136 -6.592 605 HB3 ALA 78 2HB ALA 78 2.281 -0.937 -6.179 606 H SER 79 H SER 79 1.741 -4.605 -5.006 607 HA SER 79 HA SER 79 4.462 -4.473 -4.214 608 HB2 SER 79 1HB SER 79 2.401 -6.616 -3.637 609 HB3 SER 79 2HB SER 79 3.916 -6.379 -2.768 610 HG SER 79 HG SER 79 1.796 -4.486 -2.936 611 H ARG 80 H ARG 80 2.946 -6.004 -6.822 612 HA ARG 80 HA ARG 80 4.534 -8.344 -7.012 613 HB2 ARG 80 1HB ARG 80 2.449 -8.265 -8.192 614 HB3 ARG 80 2HB ARG 80 2.937 -6.825 -9.074 615 HG2 ARG 80 1HG ARG 80 4.581 -8.074 -10.307 616 HG3 ARG 80 2HG ARG 80 4.257 -9.518 -9.344 617 HD2 ARG 80 1HD ARG 80 2.149 -8.150 -10.998 618 HD3 ARG 80 2HD ARG 80 3.194 -9.414 -11.643 619 HE ARG 80 HE ARG 80 2.225 -10.688 -9.563 620 HH11 ARG 80 1HH1 ARG 80 0.545 -8.559 -11.770 621 HH12 ARG 80 2HH1 ARG 80 -0.975 -9.395 -11.631 622 HH21 ARG 80 1HH2 ARG 80 0.254 -11.827 -9.402 623 HH22 ARG 80 2HH2 ARG 80 -1.133 -11.276 -10.300 624 H GLN 81 H GLN 81 4.974 -5.027 -8.176 625 HA GLN 81 HA GLN 81 7.187 -5.579 -9.862 626 HB2 GLN 81 1HB GLN 81 6.365 -3.051 -8.433 627 HB3 GLN 81 2HB GLN 81 7.753 -3.133 -9.507 628 HG2 GLN 81 1HG GLN 81 6.151 -3.951 -11.288 629 HG3 GLN 81 2HG GLN 81 4.852 -3.482 -10.192 630 HE21 GLN 81 2HE2 GLN 81 5.559 -2.435 -12.828 631 HE22 GLN 81 1HE2 GLN 81 5.828 -0.736 -12.615 632 H ALA 82 H ALA 82 6.875 -4.938 -6.439 633 HA ALA 82 HA ALA 82 9.729 -4.905 -5.989 634 HB1 ALA 82 3HB ALA 82 9.138 -4.743 -3.623 635 HB2 ALA 82 1HB ALA 82 7.444 -5.038 -4.019 636 HB3 ALA 82 2HB ALA 82 8.238 -3.567 -4.581 637 H HIS 83 H HIS 83 7.368 -7.231 -6.462 638 HA HIS 83 HA HIS 83 7.229 -9.483 -6.270 639 HB2 HIS 83 1HB HIS 83 10.204 -9.387 -5.708 640 HB3 HIS 83 2HB HIS 83 9.284 -10.801 -6.197 641 HD1 HIS 83 HD1 HIS 83 8.179 -10.570 -8.723 642 HD2 HIS 83 HD2 HIS 83 11.333 -8.035 -7.746 643 HE1 HIS 83 HE1 HIS 83 9.111 -9.764 -10.911 644 HE2 HIS 83 HE2 HIS 83 11.157 -8.429 -10.295 645 H CYS 84 H CYS 84 7.068 -7.670 -3.889 646 HA CYS 84 HA CYS 84 7.986 -9.467 -1.758 647 HB2 CYS 84 1HB CYS 84 8.625 -6.942 -1.929 648 HB3 CYS 84 2HB CYS 84 7.004 -6.664 -1.304 649 HG CYS 84 HG CYS 84 7.399 -7.881 1.128 650 H LEU 85 H LEU 85 5.968 -10.656 -2.701 651 HA LEU 85 HA LEU 85 3.455 -9.682 -1.608 652 HB2 LEU 85 1HB LEU 85 4.113 -12.193 -3.154 653 HB3 LEU 85 2HB LEU 85 2.500 -11.709 -2.668 654 HG LEU 85 HG LEU 85 4.280 -10.153 -4.539 655 HD11 LEU 85 1HD1 LEU 85 3.533 -12.262 -5.525 656 HD12 LEU 85 2HD1 LEU 85 2.750 -10.881 -6.293 657 HD13 LEU 85 3HD1 LEU 85 1.865 -11.859 -5.122 658 HD21 LEU 85 3HD2 LEU 85 2.758 -8.727 -3.300 659 HD22 LEU 85 1HD2 LEU 85 1.402 -9.763 -3.744 660 HD23 LEU 85 2HD2 LEU 85 2.257 -8.848 -4.985 661 H MET 86 H MET 86 2.375 -10.581 0.100 662 HA MET 86 HA MET 86 3.937 -11.830 2.092 663 HB2 MET 86 1HB MET 86 2.016 -10.372 2.614 664 HB3 MET 86 2HB MET 86 0.926 -11.593 1.966 665 HG2 MET 86 1HG MET 86 1.731 -13.172 3.689 666 HG3 MET 86 2HG MET 86 2.722 -11.884 4.368 667 HE1 MET 86 3HE MET 86 -1.895 -11.908 4.346 668 HE2 MET 86 1HE MET 86 -0.891 -13.220 3.728 669 HE3 MET 86 2HE MET 86 -0.949 -11.676 2.877 670 H GLU 87 H GLU 87 1.528 -13.099 -0.144 671 HA GLU 87 HA GLU 87 1.390 -15.686 1.002 672 HB2 GLU 87 1HB GLU 87 -0.376 -14.818 -0.461 673 HB3 GLU 87 2HB GLU 87 0.746 -14.781 -1.815 674 HG2 GLU 87 1HG GLU 87 0.818 -17.107 -1.971 675 HG3 GLU 87 2HG GLU 87 0.142 -17.326 -0.357 676 H ASP 88 H ASP 88 2.609 -17.452 0.712 677 HA ASP 88 HA ASP 88 5.305 -17.068 0.056 678 HB2 ASP 88 1HB ASP 88 4.452 -18.750 1.682 679 HB3 ASP 88 2HB ASP 88 3.860 -19.712 0.331 680 H LYS 89 H LYS 89 2.632 -18.180 -1.853 681 HA LYS 89 HA LYS 89 3.842 -19.425 -3.990 682 HB2 LYS 89 1HB LYS 89 1.604 -17.393 -4.077 683 HB3 LYS 89 2HB LYS 89 2.038 -18.462 -5.401 684 HG2 LYS 89 1HG LYS 89 1.455 -20.398 -4.054 685 HG3 LYS 89 2HG LYS 89 1.050 -19.341 -2.696 686 HD2 LYS 89 1HD LYS 89 -0.704 -18.288 -4.028 687 HD3 LYS 89 2HD LYS 89 -0.284 -19.310 -5.403 688 HE2 LYS 89 1HE LYS 89 -1.313 -20.266 -2.733 689 HE3 LYS 89 2HE LYS 89 -2.249 -20.155 -4.224 690 HZ1 LYS 89 3HZ LYS 89 -0.688 -21.747 -5.233 691 HZ2 LYS 89 1HZ LYS 89 -1.522 -22.400 -3.903 692 HZ3 LYS 89 2HZ LYS 89 0.093 -21.912 -3.731 693 H ALA 90 H ALA 90 3.584 -15.979 -3.314 694 HA ALA 90 HA ALA 90 4.385 -14.113 -4.299 695 HB1 ALA 90 3HB ALA 90 6.498 -14.982 -3.480 696 HB2 ALA 90 1HB ALA 90 6.728 -14.159 -5.022 697 HB3 ALA 90 2HB ALA 90 6.708 -15.920 -4.958 698 H GLU 91 H GLU 91 6.168 -15.836 -6.718 699 HA GLU 91 HA GLU 91 4.023 -15.549 -8.673 700 HB2 GLU 91 1HB GLU 91 6.788 -14.372 -9.040 701 HB3 GLU 91 2HB GLU 91 5.551 -14.464 -10.287 702 HG2 GLU 91 1HG GLU 91 4.104 -13.015 -8.959 703 HG3 GLU 91 2HG GLU 91 5.348 -12.921 -7.712 704 H ALA 92 H ALA 92 3.820 -17.595 -9.269 705 HA ALA 92 HA ALA 92 6.036 -19.412 -9.324 706 HB1 ALA 92 3HB ALA 92 3.195 -19.790 -10.271 707 HB2 ALA 92 1HB ALA 92 3.808 -20.167 -8.661 708 HB3 ALA 92 2HB ALA 92 4.394 -21.066 -10.061 709 HA PRO 93 HA PRO 93 7.206 -18.483 -13.513 710 HB2 PRO 93 1HB PRO 93 9.000 -20.482 -13.827 711 HB3 PRO 93 2HB PRO 93 9.335 -19.044 -12.854 712 HG2 PRO 93 1HG PRO 93 8.465 -21.772 -11.966 713 HG3 PRO 93 2HG PRO 93 9.712 -20.714 -11.275 714 HD2 PRO 93 1HD PRO 93 7.228 -20.927 -10.219 715 HD3 PRO 93 2HD PRO 93 8.173 -19.426 -10.148 716 H ASN 94 H ASN 94 5.504 -21.192 -12.441 717 HA ASN 94 HA ASN 94 4.745 -21.837 -15.188 718 HB2 ASN 94 1HB ASN 94 6.497 -23.486 -14.417 719 HB3 ASN 94 2HB ASN 94 5.370 -23.999 -13.166 720 HD21 ASN 94 2HD2 ASN 94 5.279 -26.087 -14.005 721 HD22 ASN 94 1HD2 ASN 94 4.418 -26.449 -15.463 722 H THR 95 H THR 95 2.608 -22.519 -15.393 723 HA THR 95 HA THR 95 0.854 -21.504 -13.416 724 HB THR 95 HB THR 95 0.078 -23.280 -15.732 725 HG1 THR 95 HG1 THR 95 0.260 -21.556 -17.047 726 HG21 THR 95 3HG2 THR 95 -1.999 -21.993 -15.667 727 HG22 THR 95 1HG2 THR 95 -1.379 -21.041 -14.318 728 HG23 THR 95 2HG2 THR 95 -1.697 -22.763 -14.110 729 H ILE 96 H ILE 96 1.128 -24.831 -14.700 730 HA ILE 96 HA ILE 96 -0.352 -25.813 -12.393 731 HB ILE 96 HB ILE 96 -0.879 -26.649 -14.680 732 HG12 ILE 96 1HG1 ILE 96 0.151 -28.766 -12.776 733 HG13 ILE 96 2HG1 ILE 96 -1.428 -27.997 -12.691 734 HG21 ILE 96 1HG2 ILE 96 0.638 -28.256 -15.749 735 HG22 ILE 96 2HG2 ILE 96 1.842 -27.934 -14.502 736 HG23 ILE 96 3HG2 ILE 96 1.360 -26.653 -15.614 737 HD11 ILE 96 3HD1 ILE 96 -1.588 -30.205 -13.668 738 HD12 ILE 96 1HD1 ILE 96 -0.430 -29.754 -14.920 739 HD13 ILE 96 2HD1 ILE 96 -2.009 -28.972 -14.859 740 H ALA 97 H ALA 97 0.460 -27.476 -10.999 741 HA ALA 97 HA ALA 97 3.307 -27.316 -10.529 742 HB1 ALA 97 3HB ALA 97 1.203 -28.950 -9.110 743 HB2 ALA 97 1HB ALA 97 1.737 -27.335 -8.645 744 HB3 ALA 97 2HB ALA 97 2.861 -28.691 -8.567 745 H SER 98 H SER 98 4.734 -28.607 -11.458 746 HA SER 98 HA SER 98 4.040 -30.763 -13.130 747 HB2 SER 98 1HB SER 98 6.712 -30.062 -11.888 748 HB3 SER 98 2HB SER 98 6.470 -31.195 -13.221 749 HG SER 98 HG SER 98 5.621 -29.466 -14.448 750 H GLY 99 H GLY 99 3.854 -32.880 -12.789 751 HA2 GLY 99 1HA GLY 99 4.513 -34.832 -11.384 752 HA3 GLY 99 2HA GLY 99 4.180 -33.806 -9.995 753 H SER 100 H SER 100 2.011 -32.976 -12.271 754 HA SER 100 HA SER 100 -0.120 -34.415 -10.955 755 HB2 SER 100 1HB SER 100 -0.240 -32.415 -13.226 756 HB3 SER 100 2HB SER 100 -1.599 -32.962 -12.240 757 HG SER 100 HG SER 100 0.544 -31.260 -11.562 Start of MODEL 14 1 H1 MET 1 1H MET 1 -5.460 25.565 5.949 2 H2 MET 1 2H MET 1 -4.657 24.142 5.507 3 H3 MET 1 3H MET 1 -4.593 24.685 7.113 4 HA MET 1 HA MET 1 -6.987 23.710 5.669 5 HB2 MET 1 1HB MET 1 -5.417 21.944 6.374 6 HB3 MET 1 2HB MET 1 -5.459 22.562 8.018 7 HG2 MET 1 1HG MET 1 -7.836 22.031 8.162 8 HG3 MET 1 2HG MET 1 -7.800 21.419 6.509 9 HE1 MET 1 3HE MET 1 -6.549 19.223 5.761 10 HE2 MET 1 1HE MET 1 -5.515 18.271 6.827 11 HE3 MET 1 2HE MET 1 -5.037 19.904 6.362 12 H GLU 2 H GLU 2 -8.471 25.200 6.141 13 HA GLU 2 HA GLU 2 -8.555 26.750 8.486 14 HB2 GLU 2 1HB GLU 2 -9.638 27.475 6.450 15 HB3 GLU 2 2HB GLU 2 -10.713 26.085 6.483 16 HG2 GLU 2 1HG GLU 2 -11.742 26.916 8.528 17 HG3 GLU 2 2HG GLU 2 -10.657 28.306 8.509 18 H VAL 3 H VAL 3 -10.601 24.004 7.518 19 HA VAL 3 HA VAL 3 -11.109 23.490 10.368 20 HB VAL 3 HB VAL 3 -13.386 22.716 9.777 21 HG11 VAL 3 1HG1 VAL 3 -12.787 25.571 9.013 22 HG12 VAL 3 2HG1 VAL 3 -13.084 24.962 10.641 23 HG13 VAL 3 3HG1 VAL 3 -14.377 24.939 9.441 24 HG21 VAL 3 3HG2 VAL 3 -14.351 23.319 7.602 25 HG22 VAL 3 1HG2 VAL 3 -13.019 22.175 7.431 26 HG23 VAL 3 2HG2 VAL 3 -12.770 23.881 7.060 27 H GLN 4 H GLN 4 -11.672 21.236 10.835 28 HA GLN 4 HA GLN 4 -10.347 19.429 8.926 29 HB2 GLN 4 1HB GLN 4 -10.512 19.259 11.937 30 HB3 GLN 4 2HB GLN 4 -9.853 17.993 10.909 31 HG2 GLN 4 1HG GLN 4 -8.201 19.653 10.052 32 HG3 GLN 4 2HG GLN 4 -8.792 20.782 11.270 33 HE21 GLN 4 2HE2 GLN 4 -6.161 19.556 10.875 34 HE22 GLN 4 1HE2 GLN 4 -5.779 18.764 12.364 35 H SER 5 H SER 5 -11.685 18.170 7.899 36 HA SER 5 HA SER 5 -14.336 17.643 8.967 37 HB2 SER 5 1HB SER 5 -13.989 18.362 6.590 38 HB3 SER 5 2HB SER 5 -13.148 16.841 6.295 39 HG SER 5 HG SER 5 -15.704 17.268 6.098 40 H MET 6 H MET 6 -15.085 15.262 8.197 41 HA MET 6 HA MET 6 -13.686 13.492 9.964 42 HB2 MET 6 1HB MET 6 -15.965 12.967 8.050 43 HB3 MET 6 2HB MET 6 -15.368 11.814 9.234 44 HG2 MET 6 1HG MET 6 -15.988 13.338 11.034 45 HG3 MET 6 2HG MET 6 -16.581 14.500 9.848 46 HE1 MET 6 3HE MET 6 -18.681 14.011 8.233 47 HE2 MET 6 1HE MET 6 -19.573 12.489 8.247 48 HE3 MET 6 2HE MET 6 -17.895 12.523 7.701 49 H LEU 7 H LEU 7 -13.163 14.377 6.806 50 HA LEU 7 HA LEU 7 -12.331 11.879 5.701 51 HB2 LEU 7 1HB LEU 7 -11.618 14.687 4.843 52 HB3 LEU 7 2HB LEU 7 -11.401 13.233 3.887 53 HG LEU 7 HG LEU 7 -14.043 14.421 4.737 54 HD11 LEU 7 1HD1 LEU 7 -14.344 14.841 2.343 55 HD12 LEU 7 2HD1 LEU 7 -12.710 14.249 2.040 56 HD13 LEU 7 3HD1 LEU 7 -12.956 15.710 2.995 57 HD21 LEU 7 3HD2 LEU 7 -13.470 12.003 3.027 58 HD22 LEU 7 1HD2 LEU 7 -15.060 12.698 3.341 59 HD23 LEU 7 2HD2 LEU 7 -14.136 11.979 4.659 60 H LEU 8 H LEU 8 -11.027 13.742 8.102 61 HA LEU 8 HA LEU 8 -8.253 13.087 7.451 62 HB2 LEU 8 1HB LEU 8 -9.525 14.776 9.587 63 HB3 LEU 8 2HB LEU 8 -7.849 14.280 9.699 64 HG LEU 8 HG LEU 8 -7.489 15.391 7.450 65 HD11 LEU 8 1HD1 LEU 8 -10.185 16.586 8.072 66 HD12 LEU 8 2HD1 LEU 8 -9.814 15.506 6.729 67 HD13 LEU 8 3HD1 LEU 8 -9.089 17.113 6.795 68 HD21 LEU 8 3HD2 LEU 8 -7.323 17.614 8.441 69 HD22 LEU 8 1HD2 LEU 8 -6.765 16.368 9.557 70 HD23 LEU 8 2HD2 LEU 8 -8.355 17.098 9.775 71 H ASN 9 H ASN 9 -10.693 11.395 8.543 72 HA ASN 9 HA ASN 9 -9.434 10.192 10.879 73 HB2 ASN 9 1HB ASN 9 -11.906 10.561 10.804 74 HB3 ASN 9 2HB ASN 9 -12.001 9.429 9.456 75 HD21 ASN 9 2HD2 ASN 9 -13.327 8.019 10.570 76 HD22 ASN 9 1HD2 ASN 9 -12.758 7.038 11.871 77 H ASP 10 H ASP 10 -8.508 8.161 10.897 78 HA ASP 10 HA ASP 10 -7.713 7.017 8.406 79 HB2 ASP 10 1HB ASP 10 -6.243 6.729 10.296 80 HB3 ASP 10 2HB ASP 10 -7.522 5.960 11.235 81 H VAL 11 H VAL 11 -9.156 6.114 7.140 82 HA VAL 11 HA VAL 11 -11.514 4.844 8.211 83 HB VAL 11 HB VAL 11 -10.659 4.902 5.313 84 HG11 VAL 11 1HG1 VAL 11 -12.471 3.376 5.836 85 HG12 VAL 11 2HG1 VAL 11 -13.069 4.741 4.894 86 HG13 VAL 11 3HG1 VAL 11 -13.359 4.676 6.633 87 HG21 VAL 11 3HG2 VAL 11 -12.267 6.985 6.790 88 HG22 VAL 11 1HG2 VAL 11 -11.974 6.944 5.051 89 HG23 VAL 11 2HG2 VAL 11 -10.630 7.192 6.166 90 H LYS 12 H LYS 12 -11.358 2.845 8.945 91 HA LYS 12 HA LYS 12 -9.116 1.228 8.430 92 HB2 LYS 12 1HB LYS 12 -10.332 1.072 10.541 93 HB3 LYS 12 2HB LYS 12 -11.759 0.487 9.693 94 HG2 LYS 12 1HG LYS 12 -10.468 -1.487 8.959 95 HG3 LYS 12 2HG LYS 12 -9.105 -0.912 9.917 96 HD2 LYS 12 1HD LYS 12 -10.419 -1.094 11.947 97 HD3 LYS 12 2HD LYS 12 -11.833 -1.588 11.009 98 HE2 LYS 12 1HE LYS 12 -10.634 -3.577 10.247 99 HE3 LYS 12 2HE LYS 12 -9.215 -3.081 11.170 100 HZ1 LYS 12 3HZ LYS 12 -11.876 -3.738 12.320 101 HZ2 LYS 12 1HZ LYS 12 -10.494 -3.296 13.201 102 HZ3 LYS 12 2HZ LYS 12 -10.519 -4.754 12.336 103 H TRP 13 H TRP 13 -8.763 -0.397 7.041 104 HA TRP 13 HA TRP 13 -10.468 -0.777 4.804 105 HB2 TRP 13 1HB TRP 13 -7.861 -1.706 5.682 106 HB3 TRP 13 2HB TRP 13 -8.795 -3.014 4.961 107 HD1 TRP 13 HD1 TRP 13 -10.233 -1.589 2.626 108 HE1 TRP 13 HE1 TRP 13 -8.917 -0.664 0.626 109 HE3 TRP 13 HE3 TRP 13 -5.647 -1.135 4.832 110 HZ2 TRP 13 HZ2 TRP 13 -6.270 0.158 0.055 111 HZ3 TRP 13 HZ3 TRP 13 -3.774 -0.269 3.491 112 HH2 TRP 13 HH2 TRP 13 -4.080 0.363 1.152 113 H GLU 14 H GLU 14 -11.863 -2.453 4.320 114 HA GLU 14 HA GLU 14 -13.279 -3.659 6.404 115 HB2 GLU 14 1HB GLU 14 -14.020 -3.352 3.992 116 HB3 GLU 14 2HB GLU 14 -13.073 -4.788 3.622 117 HG2 GLU 14 1HG GLU 14 -14.428 -6.099 5.154 118 HG3 GLU 14 2HG GLU 14 -15.366 -4.665 5.569 119 H LYS 15 H LYS 15 -10.763 -4.992 4.280 120 HA LYS 15 HA LYS 15 -10.089 -6.783 6.489 121 HB2 LYS 15 1HB LYS 15 -11.211 -7.836 4.327 122 HB3 LYS 15 2HB LYS 15 -9.569 -7.723 3.707 123 HG2 LYS 15 1HG LYS 15 -10.186 -9.913 4.781 124 HG3 LYS 15 2HG LYS 15 -8.723 -9.140 5.403 125 HD2 LYS 15 1HD LYS 15 -9.936 -8.283 7.310 126 HD3 LYS 15 2HD LYS 15 -11.455 -8.900 6.666 127 HE2 LYS 15 1HE LYS 15 -9.131 -10.688 7.325 128 HE3 LYS 15 2HE LYS 15 -10.355 -10.248 8.514 129 HZ1 LYS 15 3HZ LYS 15 -12.026 -11.128 6.884 130 HZ2 LYS 15 1HZ LYS 15 -11.017 -12.290 7.596 131 HZ3 LYS 15 2HZ LYS 15 -10.732 -11.783 6.003 132 HA PRO 16 HA PRO 16 -6.382 -4.273 6.248 133 HB2 PRO 16 1HB PRO 16 -5.632 -6.522 8.071 134 HB3 PRO 16 2HB PRO 16 -5.361 -4.784 8.257 135 HG2 PRO 16 1HG PRO 16 -7.306 -5.972 9.604 136 HG3 PRO 16 2HG PRO 16 -7.570 -4.377 8.873 137 HD2 PRO 16 1HD PRO 16 -8.534 -7.054 7.982 138 HD3 PRO 16 2HD PRO 16 -9.333 -5.472 7.870 139 H VAL 17 H VAL 17 -4.285 -4.492 5.455 140 HA VAL 17 HA VAL 17 -3.899 -6.870 3.762 141 HB VAL 17 HB VAL 17 -2.670 -4.124 3.424 142 HG11 VAL 17 1HG1 VAL 17 -2.109 -4.925 1.163 143 HG12 VAL 17 2HG1 VAL 17 -2.743 -6.516 1.585 144 HG13 VAL 17 3HG1 VAL 17 -1.327 -5.879 2.423 145 HG21 VAL 17 3HG2 VAL 17 -5.086 -4.017 3.126 146 HG22 VAL 17 1HG2 VAL 17 -5.018 -5.357 1.982 147 HG23 VAL 17 2HG2 VAL 17 -4.257 -3.816 1.582 148 H THR 18 H THR 18 -2.023 -8.021 3.831 149 HA THR 18 HA THR 18 -0.163 -7.394 6.020 150 HB THR 18 HB THR 18 -0.300 -9.973 4.461 151 HG1 THR 18 HG1 THR 18 -2.370 -9.339 5.492 152 HG21 THR 18 3HG2 THR 18 0.677 -10.912 6.506 153 HG22 THR 18 1HG2 THR 18 0.661 -9.313 7.251 154 HG23 THR 18 2HG2 THR 18 1.689 -9.623 5.852 155 H ILE 19 H ILE 19 1.661 -6.407 5.482 156 HA ILE 19 HA ILE 19 2.800 -6.842 2.805 157 HB ILE 19 HB ILE 19 3.045 -4.591 4.782 158 HG12 ILE 19 1HG1 ILE 19 1.243 -4.592 3.052 159 HG13 ILE 19 2HG1 ILE 19 2.341 -3.224 2.929 160 HG21 ILE 19 1HG2 ILE 19 5.328 -5.088 4.155 161 HG22 ILE 19 2HG2 ILE 19 4.803 -3.590 3.386 162 HG23 ILE 19 3HG2 ILE 19 4.887 -5.082 2.447 163 HD11 ILE 19 3HD1 ILE 19 2.470 -5.702 1.234 164 HD12 ILE 19 1HD1 ILE 19 3.489 -4.271 1.086 165 HD13 ILE 19 2HD1 ILE 19 1.760 -4.162 0.749 166 H SER 20 H SER 20 4.577 -8.039 2.611 167 HA SER 20 HA SER 20 5.924 -8.979 5.001 168 HB2 SER 20 1HB SER 20 6.501 -9.656 2.107 169 HB3 SER 20 2HB SER 20 7.054 -10.536 3.531 170 HG SER 20 HG SER 20 4.863 -10.952 2.170 171 H LEU 21 H LEU 21 7.146 -7.321 5.796 172 HA LEU 21 HA LEU 21 8.652 -5.529 4.226 173 HB2 LEU 21 1HB LEU 21 9.110 -6.361 7.093 174 HB3 LEU 21 2HB LEU 21 9.798 -4.949 6.314 175 HG LEU 21 HG LEU 21 6.858 -5.404 6.827 176 HD11 LEU 21 1HD1 LEU 21 8.846 -3.578 8.165 177 HD12 LEU 21 2HD1 LEU 21 8.078 -4.994 8.882 178 HD13 LEU 21 3HD1 LEU 21 7.107 -3.585 8.453 179 HD21 LEU 21 3HD2 LEU 21 6.595 -3.090 6.103 180 HD22 LEU 21 1HD2 LEU 21 7.264 -4.090 4.812 181 HD23 LEU 21 2HD2 LEU 21 8.316 -3.007 5.725 182 H GLN 22 H GLN 22 10.880 -5.423 3.846 183 HA GLN 22 HA GLN 22 12.063 -7.901 3.125 184 HB2 GLN 22 1HB GLN 22 14.022 -6.450 2.493 185 HB3 GLN 22 2HB GLN 22 12.494 -6.023 1.739 186 HG2 GLN 22 1HG GLN 22 12.206 -4.250 3.447 187 HG3 GLN 22 2HG GLN 22 13.811 -4.638 4.061 188 HE21 GLN 22 2HE2 GLN 22 14.559 -2.562 3.605 189 HE22 GLN 22 1HE2 GLN 22 14.892 -2.043 1.980 190 H ASN 23 H ASN 23 11.709 -6.835 6.093 191 HA ASN 23 HA ASN 23 14.350 -7.734 7.023 192 HB2 ASN 23 1HB ASN 23 12.210 -6.123 8.436 193 HB3 ASN 23 2HB ASN 23 13.677 -6.709 9.211 194 HD21 ASN 23 2HD2 ASN 23 15.344 -6.253 6.878 195 HD22 ASN 23 1HD2 ASN 23 15.581 -4.542 6.789 196 H GLY 24 H GLY 24 11.622 -9.071 6.189 197 HA2 GLY 24 1HA GLY 24 10.710 -11.127 6.690 198 HA3 GLY 24 2HA GLY 24 11.872 -11.279 7.999 199 H ALA 25 H ALA 25 9.251 -8.963 7.320 200 HA ALA 25 HA ALA 25 7.977 -9.751 9.833 201 HB1 ALA 25 3HB ALA 25 7.804 -7.450 10.603 202 HB2 ALA 25 1HB ALA 25 8.701 -6.893 9.191 203 HB3 ALA 25 2HB ALA 25 9.495 -7.907 10.395 204 HA PRO 26 HA PRO 26 4.482 -9.101 7.035 205 HB2 PRO 26 1HB PRO 26 2.936 -10.513 9.037 206 HB3 PRO 26 2HB PRO 26 3.361 -11.032 7.404 207 HG2 PRO 26 1HG PRO 26 4.355 -12.203 9.661 208 HG3 PRO 26 2HG PRO 26 5.220 -12.167 8.114 209 HD2 PRO 26 1HD PRO 26 5.585 -10.436 10.532 210 HD3 PRO 26 2HD PRO 26 6.812 -11.158 9.466 211 H ARG 27 H ARG 27 4.301 -6.896 7.397 212 HA ARG 27 HA ARG 27 3.075 -5.972 9.872 213 HB2 ARG 27 1HB ARG 27 4.923 -4.657 9.055 214 HB3 ARG 27 2HB ARG 27 4.179 -4.507 7.470 215 HG2 ARG 27 1HG ARG 27 2.615 -2.964 8.206 216 HG3 ARG 27 2HG ARG 27 2.802 -3.434 9.897 217 HD2 ARG 27 1HD ARG 27 4.976 -2.111 8.283 218 HD3 ARG 27 2HD ARG 27 3.820 -1.220 9.272 219 HE ARG 27 HE ARG 27 4.824 -3.023 11.009 220 HH11 ARG 27 1HH1 ARG 27 6.329 -0.695 8.862 221 HH12 ARG 27 2HH1 ARG 27 7.729 -0.488 9.864 222 HH21 ARG 27 1HH2 ARG 27 6.670 -2.747 12.325 223 HH22 ARG 27 2HH2 ARG 27 7.935 -1.656 11.822 224 H ILE 28 H ILE 28 0.972 -5.887 10.071 225 HA ILE 28 HA ILE 28 -0.698 -5.966 7.666 226 HB ILE 28 HB ILE 28 -1.473 -6.500 10.542 227 HG12 ILE 28 1HG1 ILE 28 -0.930 -8.448 8.286 228 HG13 ILE 28 2HG1 ILE 28 0.146 -8.152 9.649 229 HG21 ILE 28 1HG2 ILE 28 -3.342 -5.757 9.169 230 HG22 ILE 28 2HG2 ILE 28 -3.508 -7.465 9.576 231 HG23 ILE 28 3HG2 ILE 28 -2.964 -6.990 7.967 232 HD11 ILE 28 3HD1 ILE 28 -2.643 -9.273 9.826 233 HD12 ILE 28 1HD1 ILE 28 -1.537 -9.011 11.175 234 HD13 ILE 28 2HD1 ILE 28 -1.144 -10.198 9.931 235 H PHE 29 H PHE 29 -1.674 -4.175 7.019 236 HA PHE 29 HA PHE 29 -1.818 -1.894 8.852 237 HB2 PHE 29 1HB PHE 29 -2.312 -2.005 5.867 238 HB3 PHE 29 2HB PHE 29 -2.230 -0.547 6.853 239 HD1 PHE 29 HD2 PHE 29 -0.078 0.129 7.875 240 HD2 PHE 29 HD1 PHE 29 -0.360 -3.079 5.095 241 HE1 PHE 29 HE2 PHE 29 2.352 0.232 7.512 242 HE2 PHE 29 HE1 PHE 29 2.070 -2.982 4.731 243 HZ PHE 29 HZ PHE 29 3.427 -1.326 5.934 244 H ASN 30 H ASN 30 -3.644 -1.417 9.838 245 HA ASN 30 HA ASN 30 -6.060 -2.869 9.214 246 HB2 ASN 30 1HB ASN 30 -5.879 -0.600 11.186 247 HB3 ASN 30 2HB ASN 30 -6.947 -1.996 11.219 248 HD21 ASN 30 2HD2 ASN 30 -3.783 -0.781 11.886 249 HD22 ASN 30 1HD2 ASN 30 -3.243 -2.124 12.849 250 H GLY 31 H GLY 31 -4.922 0.472 9.108 251 HA2 GLY 31 1HA GLY 31 -7.455 1.214 7.801 252 HA3 GLY 31 2HA GLY 31 -6.491 2.305 8.779 253 H VAL 32 H VAL 32 -7.392 2.915 6.245 254 HA VAL 32 HA VAL 32 -5.500 2.381 4.211 255 HB VAL 32 HB VAL 32 -7.470 4.670 4.408 256 HG11 VAL 32 1HG1 VAL 32 -6.057 3.498 2.018 257 HG12 VAL 32 2HG1 VAL 32 -5.743 5.075 2.742 258 HG13 VAL 32 3HG1 VAL 32 -7.296 4.754 1.971 259 HG21 VAL 32 3HG2 VAL 32 -8.580 2.512 4.587 260 HG22 VAL 32 1HG2 VAL 32 -7.756 1.949 3.135 261 HG23 VAL 32 2HG2 VAL 32 -8.930 3.261 3.030 262 H TYR 33 H TYR 33 -5.702 4.841 6.718 263 HA TYR 33 HA TYR 33 -3.824 6.602 5.452 264 HB2 TYR 33 1HB TYR 33 -5.514 7.392 7.124 265 HB3 TYR 33 2HB TYR 33 -4.608 6.544 8.374 266 HD1 TYR 33 HD2 TYR 33 -4.606 9.392 6.069 267 HD2 TYR 33 HD1 TYR 33 -2.482 7.411 9.176 268 HE1 TYR 33 HE2 TYR 33 -3.159 11.361 6.325 269 HE2 TYR 33 HE1 TYR 33 -1.026 9.375 9.440 270 HH TYR 33 HH TYR 33 -0.268 11.311 7.979 271 H GLU 34 H GLU 34 -3.663 4.034 7.861 272 HA GLU 34 HA GLU 34 -1.016 4.361 8.698 273 HB2 GLU 34 1HB GLU 34 -2.544 1.781 8.290 274 HB3 GLU 34 2HB GLU 34 -1.047 1.931 9.194 275 HG2 GLU 34 1HG GLU 34 -2.206 3.481 10.744 276 HG3 GLU 34 2HG GLU 34 -3.707 3.147 9.880 277 H ALA 35 H ALA 35 -2.346 2.539 5.981 278 HA ALA 35 HA ALA 35 0.132 1.589 5.004 279 HB1 ALA 35 3HB ALA 35 -2.426 1.999 3.460 280 HB2 ALA 35 1HB ALA 35 -2.077 0.597 4.475 281 HB3 ALA 35 2HB ALA 35 -1.092 0.920 3.045 282 H PHE 36 H PHE 36 -1.909 4.345 4.092 283 HA PHE 36 HA PHE 36 -0.390 5.332 1.972 284 HB2 PHE 36 1HB PHE 36 -2.651 6.116 2.478 285 HB3 PHE 36 2HB PHE 36 -2.088 6.834 3.980 286 HD1 PHE 36 HD2 PHE 36 -1.128 6.946 0.368 287 HD2 PHE 36 HD1 PHE 36 -1.900 9.110 3.952 288 HE1 PHE 36 HE2 PHE 36 -0.693 9.058 -0.816 289 HE2 PHE 36 HE1 PHE 36 -1.466 11.225 2.771 290 HZ PHE 36 HZ PHE 36 -0.861 11.200 0.385 291 H ASP 37 H ASP 37 -0.167 6.001 5.437 292 HA ASP 37 HA ASP 37 1.883 7.949 5.268 293 HB2 ASP 37 1HB ASP 37 0.422 7.662 7.236 294 HB3 ASP 37 2HB ASP 37 1.169 6.100 7.555 295 H PHE 38 H PHE 38 1.913 4.466 5.798 296 HA PHE 38 HA PHE 38 4.653 4.104 6.243 297 HB2 PHE 38 1HB PHE 38 3.177 2.322 6.759 298 HB3 PHE 38 2HB PHE 38 2.499 2.309 5.139 299 HD1 PHE 38 HD2 PHE 38 5.604 1.582 7.045 300 HD2 PHE 38 HD1 PHE 38 3.340 0.894 3.509 301 HE1 PHE 38 HE2 PHE 38 7.155 -0.220 6.402 302 HE2 PHE 38 HE1 PHE 38 4.880 -0.909 2.867 303 HZ PHE 38 HZ PHE 38 6.788 -1.469 4.307 304 H LEU 39 H LEU 39 2.782 4.107 3.239 305 HA LEU 39 HA LEU 39 4.774 3.284 1.467 306 HB2 LEU 39 1HB LEU 39 2.465 5.176 1.026 307 HB3 LEU 39 2HB LEU 39 3.440 4.495 -0.260 308 HG LEU 39 HG LEU 39 1.765 2.876 1.658 309 HD11 LEU 39 1HD1 LEU 39 0.258 2.560 -0.242 310 HD12 LEU 39 2HD1 LEU 39 1.236 3.667 -1.205 311 HD13 LEU 39 3HD1 LEU 39 0.372 4.260 0.213 312 HD21 LEU 39 3HD2 LEU 39 2.182 1.053 0.068 313 HD22 LEU 39 1HD2 LEU 39 3.677 1.651 0.790 314 HD23 LEU 39 2HD2 LEU 39 3.246 2.115 -0.856 315 H GLN 40 H GLN 40 4.239 6.364 2.979 316 HA GLN 40 HA GLN 40 6.019 7.749 1.150 317 HB2 GLN 40 1HB GLN 40 4.532 8.716 3.598 318 HB3 GLN 40 2HB GLN 40 5.491 9.740 2.539 319 HG2 GLN 40 1HG GLN 40 3.985 9.460 0.746 320 HG3 GLN 40 2HG GLN 40 3.157 8.130 1.555 321 HE21 GLN 40 2HE2 GLN 40 1.718 8.561 3.194 322 HE22 GLN 40 1HE2 GLN 40 1.081 10.143 3.480 323 H HIS 41 H HIS 41 6.027 6.491 4.427 324 HA HIS 41 HA HIS 41 8.446 7.846 5.145 325 HB2 HIS 41 1HB HIS 41 6.752 5.766 6.464 326 HB3 HIS 41 2HB HIS 41 8.383 6.057 7.060 327 HD1 HIS 41 HD1 HIS 41 8.727 8.062 8.547 328 HD2 HIS 41 HD2 HIS 41 5.032 8.082 6.629 329 HE1 HIS 41 HE1 HIS 41 7.445 9.975 9.558 330 HE2 HIS 41 HE2 HIS 41 5.278 10.067 8.270 331 H GLU 42 H GLU 42 7.881 4.312 5.021 332 HA GLU 42 HA GLU 42 10.419 4.073 3.610 333 HB2 GLU 42 1HB GLU 42 9.848 2.751 6.258 334 HB3 GLU 42 2HB GLU 42 11.125 2.222 5.169 335 HG2 GLU 42 1HG GLU 42 12.013 4.586 5.279 336 HG3 GLU 42 2HG GLU 42 10.886 4.841 6.610 337 H TRP 43 H TRP 43 8.762 3.594 1.964 338 HA TRP 43 HA TRP 43 7.871 0.834 1.992 339 HB2 TRP 43 1HB TRP 43 6.465 2.417 0.820 340 HB3 TRP 43 2HB TRP 43 7.824 2.979 -0.145 341 HD1 TRP 43 HD1 TRP 43 8.242 1.792 -2.381 342 HE1 TRP 43 HE1 TRP 43 7.221 -0.223 -3.606 343 HE3 TRP 43 HE3 TRP 43 5.328 -0.023 1.389 344 HZ2 TRP 43 HZ2 TRP 43 5.402 -2.311 -3.039 345 HZ3 TRP 43 HZ3 TRP 43 3.974 -2.034 0.972 346 HH2 TRP 43 HH2 TRP 43 4.012 -3.154 -1.198 347 HA PRO 44 HA PRO 44 11.800 -1.022 1.245 348 HB2 PRO 44 1HB PRO 44 10.100 -2.555 -0.694 349 HB3 PRO 44 2HB PRO 44 11.334 -3.149 0.424 350 HG2 PRO 44 1HG PRO 44 8.727 -3.297 1.019 351 HG3 PRO 44 2HG PRO 44 9.948 -2.975 2.262 352 HD2 PRO 44 1HD PRO 44 7.909 -1.181 1.137 353 HD3 PRO 44 2HD PRO 44 8.825 -1.042 2.649 354 H ALA 45 H ALA 45 10.011 -1.050 -1.841 355 HA ALA 45 HA ALA 45 12.148 0.557 -3.048 356 HB1 ALA 45 3HB ALA 45 12.194 -0.910 -5.011 357 HB2 ALA 45 1HB ALA 45 11.056 -2.001 -4.222 358 HB3 ALA 45 2HB ALA 45 12.672 -1.777 -3.551 359 H ARG 46 H ARG 46 11.156 2.324 -3.741 360 HA ARG 46 HA ARG 46 8.429 2.716 -3.895 361 HB2 ARG 46 1HB ARG 46 10.729 4.195 -5.124 362 HB3 ARG 46 2HB ARG 46 9.069 4.718 -5.387 363 HG2 ARG 46 1HG ARG 46 8.741 5.053 -3.035 364 HG3 ARG 46 2HG ARG 46 10.321 4.356 -2.674 365 HD2 ARG 46 1HD ARG 46 11.461 6.188 -3.625 366 HD3 ARG 46 2HD ARG 46 9.999 6.788 -4.409 367 HE ARG 46 HE ARG 46 9.294 7.703 -2.396 368 HH11 ARG 46 1HH1 ARG 46 12.323 5.983 -2.000 369 HH12 ARG 46 2HH1 ARG 46 12.606 6.585 -0.392 370 HH21 ARG 46 1HH2 ARG 46 9.657 8.512 -0.299 371 HH22 ARG 46 2HH2 ARG 46 11.071 8.012 0.589 372 H GLY 47 H GLY 47 10.242 3.143 -6.894 373 HA2 GLY 47 1HA GLY 47 9.930 1.347 -8.606 374 HA3 GLY 47 2HA GLY 47 8.229 1.408 -8.184 375 H ASP 48 H ASP 48 6.950 2.989 -8.979 376 HA ASP 48 HA ASP 48 7.839 5.165 -10.565 377 HB2 ASP 48 1HB ASP 48 7.031 4.221 -12.763 378 HB3 ASP 48 2HB ASP 48 8.521 3.502 -12.163 379 H ARG 49 H ARG 49 5.515 4.634 -12.440 380 HA ARG 49 HA ARG 49 3.531 6.137 -11.245 381 HB2 ARG 49 1HB ARG 49 3.274 4.034 -13.404 382 HB3 ARG 49 2HB ARG 49 2.029 5.209 -13.005 383 HG2 ARG 49 1HG ARG 49 3.419 7.021 -13.714 384 HG3 ARG 49 2HG ARG 49 4.800 5.943 -13.924 385 HD2 ARG 49 1HD ARG 49 3.694 4.799 -15.730 386 HD3 ARG 49 2HD ARG 49 2.217 5.720 -15.460 387 HE ARG 49 HE ARG 49 3.951 7.682 -15.977 388 HH11 ARG 49 1HH1 ARG 49 3.465 4.618 -17.622 389 HH12 ARG 49 2HH1 ARG 49 3.846 5.266 -19.191 390 HH21 ARG 49 1HH2 ARG 49 4.472 8.517 -18.022 391 HH22 ARG 49 2HH2 ARG 49 4.453 7.476 -19.414 392 H ALA 50 H ALA 50 4.060 2.661 -11.105 393 HA ALA 50 HA ALA 50 1.567 1.876 -10.079 394 HB1 ALA 50 3HB ALA 50 3.226 0.298 -10.944 395 HB2 ALA 50 1HB ALA 50 2.699 -0.141 -9.320 396 HB3 ALA 50 2HB ALA 50 4.265 0.633 -9.559 397 H HIS 51 H HIS 51 4.416 3.182 -8.479 398 HA HIS 51 HA HIS 51 3.447 2.687 -5.823 399 HB2 HIS 51 1HB HIS 51 5.847 2.850 -6.233 400 HB3 HIS 51 2HB HIS 51 5.660 4.493 -6.833 401 HD1 HIS 51 HD1 HIS 51 5.619 2.502 -3.636 402 HD2 HIS 51 HD2 HIS 51 5.563 6.464 -4.891 403 HE1 HIS 51 HE1 HIS 51 5.999 3.876 -1.561 404 HE2 HIS 51 HE2 HIS 51 6.187 6.252 -2.387 405 H GLU 52 H GLU 52 3.452 5.392 -8.070 406 HA GLU 52 HA GLU 52 2.356 7.322 -6.310 407 HB2 GLU 52 1HB GLU 52 2.074 7.178 -9.322 408 HB3 GLU 52 2HB GLU 52 1.878 8.610 -8.318 409 HG2 GLU 52 1HG GLU 52 4.230 8.530 -7.712 410 HG3 GLU 52 2HG GLU 52 4.437 7.064 -8.669 411 H GLN 53 H GLN 53 0.953 4.999 -8.543 412 HA GLN 53 HA GLN 53 -1.737 5.647 -8.364 413 HB2 GLN 53 1HB GLN 53 -0.899 4.005 -9.939 414 HB3 GLN 53 2HB GLN 53 -0.396 2.951 -8.628 415 HG2 GLN 53 1HG GLN 53 -2.762 2.687 -7.981 416 HG3 GLN 53 2HG GLN 53 -3.222 3.662 -9.377 417 HE21 GLN 53 2HE2 GLN 53 -1.927 0.619 -8.307 418 HE22 GLN 53 1HE2 GLN 53 -2.100 -0.217 -9.811 419 H ALA 54 H ALA 54 0.154 3.414 -6.339 420 HA ALA 54 HA ALA 54 -1.895 2.631 -4.611 421 HB1 ALA 54 3HB ALA 54 1.045 2.903 -3.993 422 HB2 ALA 54 1HB ALA 54 0.268 1.499 -4.725 423 HB3 ALA 54 2HB ALA 54 -0.127 1.961 -3.069 424 H LEU 55 H LEU 55 0.260 5.416 -4.497 425 HA LEU 55 HA LEU 55 -0.511 6.378 -1.960 426 HB2 LEU 55 1HB LEU 55 0.544 7.856 -4.374 427 HB3 LEU 55 2HB LEU 55 0.385 8.555 -2.775 428 HG LEU 55 HG LEU 55 2.147 6.194 -3.437 429 HD11 LEU 55 1HD1 LEU 55 2.868 9.089 -2.994 430 HD12 LEU 55 2HD1 LEU 55 2.940 8.224 -4.530 431 HD13 LEU 55 3HD1 LEU 55 4.006 7.759 -3.205 432 HD21 LEU 55 3HD2 LEU 55 1.905 7.889 -0.954 433 HD22 LEU 55 1HD2 LEU 55 3.102 6.622 -1.221 434 HD23 LEU 55 2HD2 LEU 55 1.390 6.212 -1.127 435 H ARG 56 H ARG 56 -1.623 7.184 -5.236 436 HA ARG 56 HA ARG 56 -3.513 9.120 -4.484 437 HB2 ARG 56 1HB ARG 56 -3.376 7.328 -6.907 438 HB3 ARG 56 2HB ARG 56 -4.553 8.624 -6.723 439 HG2 ARG 56 1HG ARG 56 -2.649 10.215 -6.480 440 HG3 ARG 56 2HG ARG 56 -1.561 8.882 -6.876 441 HD2 ARG 56 1HD ARG 56 -3.752 10.011 -8.611 442 HD3 ARG 56 2HD ARG 56 -2.016 10.185 -8.858 443 HE ARG 56 HE ARG 56 -3.531 7.663 -9.136 444 HH11 ARG 56 1HH1 ARG 56 -0.711 9.634 -9.762 445 HH12 ARG 56 2HH1 ARG 56 -0.089 8.583 -11.005 446 HH21 ARG 56 1HH2 ARG 56 -2.749 6.288 -10.791 447 HH22 ARG 56 2HH2 ARG 56 -1.260 6.680 -11.605 448 H LEU 57 H LEU 57 -3.823 5.632 -4.967 449 HA LEU 57 HA LEU 57 -6.580 5.383 -4.679 450 HB2 LEU 57 1HB LEU 57 -4.393 3.506 -3.793 451 HB3 LEU 57 2HB LEU 57 -6.091 3.078 -3.870 452 HG LEU 57 HG LEU 57 -4.457 3.946 -6.254 453 HD11 LEU 57 1HD1 LEU 57 -4.454 1.592 -6.880 454 HD12 LEU 57 2HD1 LEU 57 -5.261 1.181 -5.367 455 HD13 LEU 57 3HD1 LEU 57 -3.626 1.842 -5.343 456 HD21 LEU 57 3HD2 LEU 57 -6.842 4.370 -6.488 457 HD22 LEU 57 1HD2 LEU 57 -7.198 2.707 -6.025 458 HD23 LEU 57 2HD2 LEU 57 -6.341 3.038 -7.530 459 H CYS 58 H CYS 58 -4.065 5.229 -2.174 460 HA CYS 58 HA CYS 58 -5.877 4.906 -0.021 461 HB2 CYS 58 1HB CYS 58 -3.064 6.012 0.049 462 HB3 CYS 58 2HB CYS 58 -3.961 5.347 1.410 463 HG CYS 58 HG CYS 58 -2.531 3.699 -1.200 464 H ARG 59 H ARG 59 -4.287 7.696 -1.458 465 HA ARG 59 HA ARG 59 -5.053 9.638 0.417 466 HB2 ARG 59 1HB ARG 59 -3.302 9.965 -1.262 467 HB3 ARG 59 2HB ARG 59 -4.499 9.904 -2.544 468 HG2 ARG 59 1HG ARG 59 -5.495 11.966 -1.743 469 HG3 ARG 59 2HG ARG 59 -4.346 12.017 -0.400 470 HD2 ARG 59 1HD ARG 59 -2.496 12.185 -1.950 471 HD3 ARG 59 2HD ARG 59 -3.592 12.031 -3.319 472 HE ARG 59 HE ARG 59 -4.285 14.248 -1.678 473 HH11 ARG 59 1HH1 ARG 59 -1.974 13.175 -4.079 474 HH12 ARG 59 2HH1 ARG 59 -1.703 14.769 -4.722 475 HH21 ARG 59 1HH2 ARG 59 -3.927 16.353 -2.495 476 HH22 ARG 59 2HH2 ARG 59 -2.814 16.583 -3.820 477 H ALA 60 H ALA 60 -6.612 8.588 -2.603 478 HA ALA 60 HA ALA 60 -8.788 10.437 -2.304 479 HB1 ALA 60 3HB ALA 60 -9.723 9.355 -4.269 480 HB2 ALA 60 1HB ALA 60 -8.525 8.067 -4.147 481 HB3 ALA 60 2HB ALA 60 -8.013 9.716 -4.508 482 H SER 61 H SER 61 -8.151 7.190 -1.252 483 HA SER 61 HA SER 61 -10.838 6.385 -0.841 484 HB2 SER 61 1HB SER 61 -8.846 4.845 -0.881 485 HB3 SER 61 2HB SER 61 -8.414 5.457 0.713 486 HG SER 61 HG SER 61 -10.947 4.776 0.849 487 H LEU 62 H LEU 62 -8.471 8.074 1.152 488 HA LEU 62 HA LEU 62 -10.054 8.215 3.503 489 HB2 LEU 62 1HB LEU 62 -7.846 10.039 2.539 490 HB3 LEU 62 2HB LEU 62 -8.498 10.012 4.167 491 HG LEU 62 HG LEU 62 -7.102 7.674 2.862 492 HD11 LEU 62 1HD1 LEU 62 -6.054 9.688 4.844 493 HD12 LEU 62 2HD1 LEU 62 -5.559 9.532 3.159 494 HD13 LEU 62 3HD1 LEU 62 -5.210 8.236 4.304 495 HD21 LEU 62 3HD2 LEU 62 -7.919 8.184 5.722 496 HD22 LEU 62 1HD2 LEU 62 -7.019 6.785 5.136 497 HD23 LEU 62 2HD2 LEU 62 -8.683 7.044 4.615 498 H MET 63 H MET 63 -9.950 10.024 0.561 499 HA MET 63 HA MET 63 -11.473 12.263 1.528 500 HB2 MET 63 1HB MET 63 -9.853 12.462 -0.328 501 HB3 MET 63 2HB MET 63 -10.844 11.387 -1.301 502 HG2 MET 63 1HG MET 63 -12.664 13.023 -1.235 503 HG3 MET 63 2HG MET 63 -11.645 14.107 -0.290 504 HE1 MET 63 3HE MET 63 -8.781 14.937 -2.836 505 HE2 MET 63 1HE MET 63 -8.795 13.634 -1.647 506 HE3 MET 63 2HE MET 63 -9.420 15.227 -1.218 507 H GLY 64 H GLY 64 -12.219 9.100 0.738 508 HA2 GLY 64 1HA GLY 64 -14.330 8.106 0.813 509 HA3 GLY 64 2HA GLY 64 -15.059 9.701 0.688 510 H ASP 65 H ASP 65 -12.648 9.255 -1.610 511 HA ASP 65 HA ASP 65 -14.634 9.108 -3.718 512 HB2 ASP 65 1HB ASP 65 -12.763 10.705 -3.895 513 HB3 ASP 65 2HB ASP 65 -11.622 9.363 -3.885 514 H VAL 66 H VAL 66 -11.763 7.282 -2.717 515 HA VAL 66 HA VAL 66 -12.548 5.042 -4.398 516 HB VAL 66 HB VAL 66 -10.204 5.296 -2.496 517 HG11 VAL 66 1HG1 VAL 66 -10.818 3.205 -4.585 518 HG12 VAL 66 2HG1 VAL 66 -10.825 2.971 -2.836 519 HG13 VAL 66 3HG1 VAL 66 -9.314 3.327 -3.671 520 HG21 VAL 66 3HG2 VAL 66 -8.851 5.594 -4.503 521 HG22 VAL 66 1HG2 VAL 66 -10.068 6.863 -4.370 522 HG23 VAL 66 2HG2 VAL 66 -10.303 5.530 -5.502 523 H ALA 67 H ALA 67 -13.672 3.349 -3.707 524 HA ALA 67 HA ALA 67 -14.882 3.438 -1.120 525 HB1 ALA 67 3HB ALA 67 -16.143 1.499 -1.861 526 HB2 ALA 67 1HB ALA 67 -15.070 1.313 -3.248 527 HB3 ALA 67 2HB ALA 67 -16.102 2.737 -3.116 528 H GLY 68 H GLY 68 -11.893 2.755 -1.398 529 HA2 GLY 68 1HA GLY 68 -10.479 1.678 0.069 530 HA3 GLY 68 2HA GLY 68 -11.886 0.963 0.834 531 H GLU 69 H GLU 69 -13.014 -0.590 -0.990 532 HA GLU 69 HA GLU 69 -11.475 -2.907 -0.962 533 HB2 GLU 69 1HB GLU 69 -13.746 -2.263 -2.852 534 HB3 GLU 69 2HB GLU 69 -13.178 -3.868 -2.414 535 HG2 GLU 69 1HG GLU 69 -14.457 -1.872 -0.561 536 HG3 GLU 69 2HG GLU 69 -15.219 -3.313 -1.231 537 H ILE 70 H ILE 70 -12.100 -0.696 -3.661 538 HA ILE 70 HA ILE 70 -10.676 -2.069 -5.640 539 HB ILE 70 HB ILE 70 -11.062 0.923 -5.408 540 HG12 ILE 70 1HG1 ILE 70 -12.784 -1.154 -6.783 541 HG13 ILE 70 2HG1 ILE 70 -13.177 -0.360 -5.263 542 HG21 ILE 70 1HG2 ILE 70 -10.517 -0.806 -7.822 543 HG22 ILE 70 2HG2 ILE 70 -9.374 0.301 -7.062 544 HG23 ILE 70 3HG2 ILE 70 -10.824 0.932 -7.844 545 HD11 ILE 70 3HD1 ILE 70 -13.261 1.793 -6.415 546 HD12 ILE 70 1HD1 ILE 70 -14.392 0.631 -7.110 547 HD13 ILE 70 2HD1 ILE 70 -12.875 0.988 -7.937 548 H ALA 71 H ALA 71 -9.630 0.281 -3.240 549 HA ALA 71 HA ALA 71 -7.034 0.713 -4.256 550 HB1 ALA 71 3HB ALA 71 -8.028 0.984 -1.421 551 HB2 ALA 71 1HB ALA 71 -8.083 2.236 -2.662 552 HB3 ALA 71 2HB ALA 71 -6.530 1.656 -2.063 553 H ARG 72 H ARG 72 -8.383 -1.659 -2.033 554 HA ARG 72 HA ARG 72 -5.976 -2.713 -1.037 555 HB2 ARG 72 1HB ARG 72 -8.197 -3.163 -0.058 556 HB3 ARG 72 2HB ARG 72 -8.616 -4.124 -1.467 557 HG2 ARG 72 1HG ARG 72 -6.763 -5.670 -0.910 558 HG3 ARG 72 2HG ARG 72 -6.467 -4.732 0.556 559 HD2 ARG 72 1HD ARG 72 -8.958 -6.272 -0.163 560 HD3 ARG 72 2HD ARG 72 -7.817 -6.629 1.133 561 HE ARG 72 HE ARG 72 -8.568 -4.562 2.210 562 HH11 ARG 72 1HH1 ARG 72 -10.627 -6.066 -0.186 563 HH12 ARG 72 2HH1 ARG 72 -12.060 -5.217 0.317 564 HH21 ARG 72 1HH2 ARG 72 -10.456 -3.415 2.853 565 HH22 ARG 72 2HH2 ARG 72 -11.961 -3.693 2.017 566 H THR 73 H THR 73 -8.026 -3.790 -3.726 567 HA THR 73 HA THR 73 -6.480 -5.975 -4.524 568 HB THR 73 HB THR 73 -8.183 -4.219 -6.301 569 HG1 THR 73 HG1 THR 73 -9.897 -5.188 -5.437 570 HG21 THR 73 3HG2 THR 73 -7.408 -7.134 -6.514 571 HG22 THR 73 1HG2 THR 73 -6.802 -5.826 -7.531 572 HG23 THR 73 2HG2 THR 73 -8.505 -6.281 -7.600 573 H ALA 74 H ALA 74 -6.434 -2.606 -5.681 574 HA ALA 74 HA ALA 74 -4.392 -3.106 -7.612 575 HB1 ALA 74 3HB ALA 74 -5.351 -0.480 -6.492 576 HB2 ALA 74 1HB ALA 74 -6.032 -1.315 -7.887 577 HB3 ALA 74 2HB ALA 74 -4.380 -0.700 -7.948 578 H PHE 75 H PHE 75 -4.402 -2.224 -4.253 579 HA PHE 75 HA PHE 75 -1.757 -1.255 -4.050 580 HB2 PHE 75 1HB PHE 75 -3.464 -1.019 -2.260 581 HB3 PHE 75 2HB PHE 75 -3.383 -2.752 -1.976 582 HD1 PHE 75 HD2 PHE 75 -1.411 0.376 -1.845 583 HD2 PHE 75 HD1 PHE 75 -1.756 -3.666 -0.559 584 HE1 PHE 75 HE2 PHE 75 0.409 0.738 -0.230 585 HE2 PHE 75 HE1 PHE 75 0.063 -3.310 1.058 586 HZ PHE 75 HZ PHE 75 1.147 -1.107 1.224 587 H VAL 76 H VAL 76 -3.136 -4.496 -3.551 588 HA VAL 76 HA VAL 76 -0.706 -5.836 -3.122 589 HB VAL 76 HB VAL 76 -3.290 -6.899 -4.284 590 HG11 VAL 76 1HG1 VAL 76 -0.925 -8.410 -3.173 591 HG12 VAL 76 2HG1 VAL 76 -1.416 -8.354 -4.865 592 HG13 VAL 76 3HG1 VAL 76 -2.461 -9.120 -3.669 593 HG21 VAL 76 3HG2 VAL 76 -3.678 -7.741 -2.014 594 HG22 VAL 76 1HG2 VAL 76 -3.527 -5.983 -2.034 595 HG23 VAL 76 2HG2 VAL 76 -2.180 -6.980 -1.478 596 H ALA 77 H ALA 77 -2.550 -5.200 -6.077 597 HA ALA 77 HA ALA 77 -0.978 -6.605 -7.900 598 HB1 ALA 77 3HB ALA 77 -2.464 -4.022 -8.366 599 HB2 ALA 77 1HB ALA 77 -3.162 -5.640 -8.440 600 HB3 ALA 77 2HB ALA 77 -1.931 -5.157 -9.606 601 H ALA 78 H ALA 78 -0.578 -3.338 -6.605 602 HA ALA 78 HA ALA 78 1.642 -2.692 -8.286 603 HB1 ALA 78 3HB ALA 78 1.897 -0.731 -6.866 604 HB2 ALA 78 1HB ALA 78 0.765 -1.414 -5.698 605 HB3 ALA 78 2HB ALA 78 0.206 -0.963 -7.310 606 H SER 79 H SER 79 1.282 -3.949 -4.996 607 HA SER 79 HA SER 79 4.030 -3.738 -4.334 608 HB2 SER 79 1HB SER 79 3.448 -5.282 -2.445 609 HB3 SER 79 2HB SER 79 2.420 -3.855 -2.559 610 HG SER 79 HG SER 79 1.290 -5.742 -4.024 611 H ARG 80 H ARG 80 2.412 -5.891 -6.399 612 HA ARG 80 HA ARG 80 3.978 -8.222 -6.037 613 HB2 ARG 80 1HB ARG 80 2.646 -7.234 -8.568 614 HB3 ARG 80 2HB ARG 80 3.268 -8.856 -8.310 615 HG2 ARG 80 1HG ARG 80 1.628 -8.987 -6.360 616 HG3 ARG 80 2HG ARG 80 0.886 -7.542 -7.048 617 HD2 ARG 80 1HD ARG 80 0.724 -8.820 -9.224 618 HD3 ARG 80 2HD ARG 80 1.183 -10.258 -8.313 619 HE ARG 80 HE ARG 80 -1.351 -8.837 -8.206 620 HH11 ARG 80 1HH1 ARG 80 0.679 -11.328 -6.783 621 HH12 ARG 80 2HH1 ARG 80 -0.636 -12.115 -5.963 622 HH21 ARG 80 1HH2 ARG 80 -3.065 -9.865 -7.166 623 HH22 ARG 80 2HH2 ARG 80 -2.784 -11.277 -6.189 624 H GLN 81 H GLN 81 4.470 -5.243 -7.778 625 HA GLN 81 HA GLN 81 6.604 -6.026 -9.432 626 HB2 GLN 81 1HB GLN 81 5.335 -3.951 -9.752 627 HB3 GLN 81 2HB GLN 81 5.973 -3.316 -8.244 628 HG2 GLN 81 1HG GLN 81 8.207 -3.275 -9.168 629 HG3 GLN 81 2HG GLN 81 7.628 -4.013 -10.662 630 HE21 GLN 81 2HE2 GLN 81 8.965 -1.454 -10.262 631 HE22 GLN 81 1HE2 GLN 81 7.895 -0.248 -10.900 632 H ALA 82 H ALA 82 6.513 -4.774 -6.136 633 HA ALA 82 HA ALA 82 9.401 -4.777 -5.916 634 HB1 ALA 82 3HB ALA 82 7.294 -4.268 -3.817 635 HB2 ALA 82 1HB ALA 82 8.080 -3.037 -4.806 636 HB3 ALA 82 2HB ALA 82 9.024 -3.972 -3.647 637 H HIS 83 H HIS 83 7.014 -7.074 -5.733 638 HA HIS 83 HA HIS 83 6.845 -9.195 -4.955 639 HB2 HIS 83 1HB HIS 83 9.839 -8.863 -4.736 640 HB3 HIS 83 2HB HIS 83 9.021 -10.376 -4.369 641 HD1 HIS 83 HD1 HIS 83 8.452 -11.882 -6.306 642 HD2 HIS 83 HD2 HIS 83 9.616 -8.066 -7.508 643 HE1 HIS 83 HE1 HIS 83 8.691 -11.994 -8.809 644 HE2 HIS 83 HE2 HIS 83 9.220 -9.637 -9.529 645 H CYS 84 H CYS 84 6.626 -6.900 -3.140 646 HA CYS 84 HA CYS 84 7.580 -7.876 -0.567 647 HB2 CYS 84 1HB CYS 84 7.573 -5.427 -1.349 648 HB3 CYS 84 2HB CYS 84 5.836 -5.466 -1.083 649 HG CYS 84 HG CYS 84 7.348 -6.588 1.609 650 H LEU 85 H LEU 85 5.615 -9.348 -2.134 651 HA LEU 85 HA LEU 85 2.988 -8.893 -1.099 652 HB2 LEU 85 1HB LEU 85 4.132 -11.208 -2.657 653 HB3 LEU 85 2HB LEU 85 2.432 -10.974 -2.309 654 HG LEU 85 HG LEU 85 4.097 -9.063 -3.943 655 HD11 LEU 85 1HD1 LEU 85 2.163 -11.198 -4.840 656 HD12 LEU 85 2HD1 LEU 85 3.915 -11.247 -5.035 657 HD13 LEU 85 3HD1 LEU 85 2.968 -10.022 -5.879 658 HD21 LEU 85 3HD2 LEU 85 1.911 -8.178 -4.607 659 HD22 LEU 85 1HD2 LEU 85 2.167 -8.042 -2.868 660 HD23 LEU 85 2HD2 LEU 85 1.123 -9.311 -3.508 661 H MET 86 H MET 86 1.789 -10.213 0.253 662 HA MET 86 HA MET 86 3.203 -12.481 1.506 663 HB2 MET 86 1HB MET 86 2.501 -10.449 3.007 664 HB3 MET 86 2HB MET 86 0.877 -11.093 2.819 665 HG2 MET 86 1HG MET 86 3.222 -12.622 3.927 666 HG3 MET 86 2HG MET 86 1.993 -11.817 4.896 667 HE1 MET 86 3HE MET 86 -0.486 -12.606 5.118 668 HE2 MET 86 1HE MET 86 -1.200 -13.912 4.173 669 HE3 MET 86 2HE MET 86 -0.704 -12.419 3.378 670 H GLU 87 H GLU 87 2.488 -14.075 0.170 671 HA GLU 87 HA GLU 87 -0.290 -14.720 0.031 672 HB2 GLU 87 1HB GLU 87 -0.252 -12.857 -1.547 673 HB3 GLU 87 2HB GLU 87 1.065 -13.611 -2.432 674 HG2 GLU 87 1HG GLU 87 -0.329 -15.324 -3.242 675 HG3 GLU 87 2HG GLU 87 -1.621 -14.907 -2.115 676 H ASP 88 H ASP 88 2.547 -15.074 -2.069 677 HA ASP 88 HA ASP 88 2.223 -17.977 -1.940 678 HB2 ASP 88 1HB ASP 88 2.500 -17.167 -4.188 679 HB3 ASP 88 2HB ASP 88 3.922 -16.232 -3.734 680 H LYS 89 H LYS 89 3.723 -19.312 -1.080 681 HA LYS 89 HA LYS 89 5.522 -18.205 0.849 682 HB2 LYS 89 1HB LYS 89 5.134 -21.056 -0.095 683 HB3 LYS 89 2HB LYS 89 6.087 -20.573 1.304 684 HG2 LYS 89 1HG LYS 89 4.187 -19.882 2.497 685 HG3 LYS 89 2HG LYS 89 3.173 -19.896 1.053 686 HD2 LYS 89 1HD LYS 89 3.374 -22.326 0.931 687 HD3 LYS 89 2HD LYS 89 4.410 -22.315 2.361 688 HE2 LYS 89 1HE LYS 89 2.630 -21.538 3.740 689 HE3 LYS 89 2HE LYS 89 1.599 -21.236 2.343 690 HZ1 LYS 89 3HZ LYS 89 2.587 -23.931 3.090 691 HZ2 LYS 89 1HZ LYS 89 1.393 -23.550 1.949 692 HZ3 LYS 89 2HZ LYS 89 1.092 -23.313 3.602 693 H ALA 90 H ALA 90 5.918 -20.152 -2.084 694 HA ALA 90 HA ALA 90 8.028 -18.768 -3.225 695 HB1 ALA 90 3HB ALA 90 9.341 -19.435 -1.251 696 HB2 ALA 90 1HB ALA 90 9.965 -20.178 -2.724 697 HB3 ALA 90 2HB ALA 90 8.994 -21.129 -1.598 698 H GLU 91 H GLU 91 5.609 -20.341 -3.811 699 HA GLU 91 HA GLU 91 6.758 -22.539 -5.388 700 HB2 GLU 91 1HB GLU 91 4.264 -22.704 -3.689 701 HB3 GLU 91 2HB GLU 91 4.909 -23.993 -4.697 702 HG2 GLU 91 1HG GLU 91 6.885 -24.136 -3.323 703 HG3 GLU 91 2HG GLU 91 6.350 -22.759 -2.362 704 H ALA 92 H ALA 92 5.777 -19.838 -6.049 705 HA ALA 92 HA ALA 92 3.362 -20.162 -7.542 706 HB1 ALA 92 3HB ALA 92 5.532 -18.079 -7.803 707 HB2 ALA 92 1HB ALA 92 4.096 -17.958 -6.787 708 HB3 ALA 92 2HB ALA 92 3.932 -17.998 -8.543 709 HA PRO 93 HA PRO 93 5.460 -22.501 -10.731 710 HB2 PRO 93 1HB PRO 93 3.278 -23.194 -12.142 711 HB3 PRO 93 2HB PRO 93 3.659 -23.930 -10.581 712 HG2 PRO 93 1HG PRO 93 1.706 -21.754 -11.224 713 HG3 PRO 93 2HG PRO 93 1.521 -23.138 -10.131 714 HD2 PRO 93 1HD PRO 93 2.131 -20.606 -9.286 715 HD3 PRO 93 2HD PRO 93 2.597 -22.076 -8.408 716 H ASN 94 H ASN 94 4.483 -19.469 -10.908 717 HA ASN 94 HA ASN 94 4.153 -19.159 -13.758 718 HB2 ASN 94 1HB ASN 94 3.088 -17.677 -11.969 719 HB3 ASN 94 2HB ASN 94 4.683 -16.966 -11.752 720 HD21 ASN 94 2HD2 ASN 94 1.965 -17.327 -13.853 721 HD22 ASN 94 1HD2 ASN 94 2.387 -16.062 -14.965 722 H THR 95 H THR 95 6.628 -18.490 -11.326 723 HA THR 95 HA THR 95 8.586 -18.201 -13.502 724 HB THR 95 HB THR 95 9.920 -16.797 -11.905 725 HG1 THR 95 HG1 THR 95 8.616 -17.562 -10.033 726 HG21 THR 95 3HG2 THR 95 7.189 -15.740 -12.644 727 HG22 THR 95 1HG2 THR 95 8.611 -15.765 -13.689 728 HG23 THR 95 2HG2 THR 95 8.597 -14.757 -12.241 729 H ILE 96 H ILE 96 9.854 -19.902 -13.577 730 HA ILE 96 HA ILE 96 10.685 -21.196 -11.063 731 HB ILE 96 HB ILE 96 10.136 -22.627 -13.677 732 HG12 ILE 96 1HG1 ILE 96 8.524 -22.659 -11.114 733 HG13 ILE 96 2HG1 ILE 96 8.061 -21.816 -12.588 734 HG21 ILE 96 1HG2 ILE 96 10.819 -23.696 -10.941 735 HG22 ILE 96 2HG2 ILE 96 11.878 -23.684 -12.350 736 HG23 ILE 96 3HG2 ILE 96 10.418 -24.672 -12.354 737 HD11 ILE 96 3HD1 ILE 96 6.862 -23.908 -12.377 738 HD12 ILE 96 1HD1 ILE 96 8.385 -24.793 -12.273 739 HD13 ILE 96 2HD1 ILE 96 7.950 -23.960 -13.765 740 H ALA 97 H ALA 97 12.848 -21.850 -10.974 741 HA ALA 97 HA ALA 97 14.777 -20.465 -12.389 742 HB1 ALA 97 3HB ALA 97 15.059 -23.172 -11.088 743 HB2 ALA 97 1HB ALA 97 15.232 -21.610 -10.288 744 HB3 ALA 97 2HB ALA 97 16.386 -22.096 -11.530 745 H SER 98 H SER 98 13.424 -23.662 -13.045 746 HA SER 98 HA SER 98 14.850 -23.849 -15.566 747 HB2 SER 98 1HB SER 98 12.674 -25.655 -14.474 748 HB3 SER 98 2HB SER 98 13.808 -26.023 -15.775 749 HG SER 98 HG SER 98 14.156 -26.107 -13.034 750 H GLY 99 H GLY 99 14.128 -22.554 -17.137 751 HA2 GLY 99 1HA GLY 99 11.612 -21.277 -17.051 752 HA3 GLY 99 2HA GLY 99 12.745 -21.225 -18.388 753 H SER 100 H SER 100 12.785 -23.941 -19.083 754 HA SER 100 HA SER 100 10.044 -24.697 -19.644 755 HB2 SER 100 1HB SER 100 11.924 -24.052 -21.931 756 HB3 SER 100 2HB SER 100 10.253 -24.595 -22.058 757 HG SER 100 HG SER 100 10.143 -22.489 -20.541 Start of MODEL 15 1 H1 MET 1 1H MET 1 -19.211 27.451 12.088 2 H2 MET 1 2H MET 1 -17.645 27.839 11.583 3 H3 MET 1 3H MET 1 -18.521 28.931 12.545 4 HA MET 1 HA MET 1 -16.832 27.761 13.815 5 HB2 MET 1 1HB MET 1 -19.700 27.102 14.493 6 HB3 MET 1 2HB MET 1 -18.356 26.836 15.594 7 HG2 MET 1 1HG MET 1 -17.853 29.307 15.335 8 HG3 MET 1 2HG MET 1 -19.434 29.438 14.565 9 HE1 MET 1 3HE MET 1 -17.446 28.694 17.820 10 HE2 MET 1 1HE MET 1 -18.263 27.152 17.577 11 HE3 MET 1 2HE MET 1 -18.704 28.177 18.942 12 H GLU 2 H GLU 2 -16.955 25.564 15.244 13 HA GLU 2 HA GLU 2 -15.810 23.696 13.512 14 HB2 GLU 2 1HB GLU 2 -16.789 23.295 16.339 15 HB3 GLU 2 2HB GLU 2 -15.696 22.221 15.475 16 HG2 GLU 2 1HG GLU 2 -15.177 25.045 16.353 17 HG3 GLU 2 2HG GLU 2 -14.396 23.571 16.927 18 H VAL 3 H VAL 3 -16.845 22.545 12.054 19 HA VAL 3 HA VAL 3 -19.332 21.185 12.812 20 HB VAL 3 HB VAL 3 -19.484 20.517 10.431 21 HG11 VAL 3 1HG1 VAL 3 -19.153 23.479 10.893 22 HG12 VAL 3 2HG1 VAL 3 -20.616 22.529 11.160 23 HG13 VAL 3 3HG1 VAL 3 -19.992 22.746 9.525 24 HG21 VAL 3 3HG2 VAL 3 -17.996 21.566 8.777 25 HG22 VAL 3 1HG2 VAL 3 -17.123 20.484 9.862 26 HG23 VAL 3 2HG2 VAL 3 -17.023 22.231 10.089 27 H GLN 4 H GLN 4 -19.464 18.887 12.716 28 HA GLN 4 HA GLN 4 -16.940 17.622 13.337 29 HB2 GLN 4 1HB GLN 4 -19.769 16.571 13.323 30 HB3 GLN 4 2HB GLN 4 -18.370 15.591 13.739 31 HG2 GLN 4 1HG GLN 4 -17.853 17.209 15.554 32 HG3 GLN 4 2HG GLN 4 -19.364 18.036 15.181 33 HE21 GLN 4 2HE2 GLN 4 -18.462 16.658 17.612 34 HE22 GLN 4 1HE2 GLN 4 -19.673 15.456 17.941 35 H SER 5 H SER 5 -16.182 18.112 11.151 36 HA SER 5 HA SER 5 -16.302 15.680 9.597 37 HB2 SER 5 1HB SER 5 -16.972 18.373 8.372 38 HB3 SER 5 2HB SER 5 -16.678 16.894 7.456 39 HG SER 5 HG SER 5 -18.511 16.441 9.382 40 H MET 6 H MET 6 -14.207 15.211 9.759 41 HA MET 6 HA MET 6 -12.219 17.294 9.924 42 HB2 MET 6 1HB MET 6 -11.898 14.288 9.891 43 HB3 MET 6 2HB MET 6 -10.634 15.449 10.276 44 HG2 MET 6 1HG MET 6 -11.924 16.189 12.222 45 HG3 MET 6 2HG MET 6 -13.163 14.996 11.839 46 HE1 MET 6 3HE MET 6 -11.286 12.566 10.814 47 HE2 MET 6 1HE MET 6 -12.695 12.342 11.852 48 HE3 MET 6 2HE MET 6 -11.144 11.637 12.308 49 H LEU 7 H LEU 7 -10.477 17.570 8.524 50 HA LEU 7 HA LEU 7 -10.991 16.937 5.755 51 HB2 LEU 7 1HB LEU 7 -10.026 19.106 6.491 52 HB3 LEU 7 2HB LEU 7 -8.593 18.257 7.035 53 HG LEU 7 HG LEU 7 -8.213 17.519 4.674 54 HD11 LEU 7 1HD1 LEU 7 -10.488 17.740 3.849 55 HD12 LEU 7 2HD1 LEU 7 -9.383 18.729 2.896 56 HD13 LEU 7 3HD1 LEU 7 -10.426 19.483 4.102 57 HD21 LEU 7 3HD2 LEU 7 -7.019 19.416 5.647 58 HD22 LEU 7 1HD2 LEU 7 -8.320 20.495 5.148 59 HD23 LEU 7 2HD2 LEU 7 -7.342 19.674 3.934 60 H LEU 8 H LEU 8 -8.786 15.955 8.302 61 HA LEU 8 HA LEU 8 -7.593 13.938 6.547 62 HB2 LEU 8 1HB LEU 8 -6.077 15.350 7.913 63 HB3 LEU 8 2HB LEU 8 -6.841 14.735 9.366 64 HG LEU 8 HG LEU 8 -6.067 12.448 8.757 65 HD11 LEU 8 1HD1 LEU 8 -4.350 12.212 7.035 66 HD12 LEU 8 2HD1 LEU 8 -4.564 13.904 6.587 67 HD13 LEU 8 3HD1 LEU 8 -5.882 12.756 6.352 68 HD21 LEU 8 3HD2 LEU 8 -4.796 13.814 10.324 69 HD22 LEU 8 1HD2 LEU 8 -3.911 14.545 8.986 70 HD23 LEU 8 2HD2 LEU 8 -3.718 12.828 9.334 71 H ASN 9 H ASN 9 -8.503 11.995 6.526 72 HA ASN 9 HA ASN 9 -9.815 11.026 8.985 73 HB2 ASN 9 1HB ASN 9 -10.881 10.697 6.169 74 HB3 ASN 9 2HB ASN 9 -11.616 10.057 7.633 75 HD21 ASN 9 2HD2 ASN 9 -11.026 12.888 5.718 76 HD22 ASN 9 1HD2 ASN 9 -12.134 13.927 6.548 77 H ASP 10 H ASP 10 -8.923 9.170 9.625 78 HA ASP 10 HA ASP 10 -7.548 7.498 7.664 79 HB2 ASP 10 1HB ASP 10 -6.362 7.928 9.757 80 HB3 ASP 10 2HB ASP 10 -7.709 7.264 10.678 81 H VAL 11 H VAL 11 -8.925 6.293 6.546 82 HA VAL 11 HA VAL 11 -11.291 5.169 7.809 83 HB VAL 11 HB VAL 11 -10.386 5.024 4.922 84 HG11 VAL 11 1HG1 VAL 11 -11.900 3.210 5.559 85 HG12 VAL 11 2HG1 VAL 11 -12.670 4.332 4.438 86 HG13 VAL 11 3HG1 VAL 11 -13.063 4.391 6.156 87 HG21 VAL 11 3HG2 VAL 11 -12.061 6.750 4.490 88 HG22 VAL 11 1HG2 VAL 11 -10.828 7.324 5.611 89 HG23 VAL 11 2HG2 VAL 11 -12.415 6.844 6.216 90 H LYS 12 H LYS 12 -11.512 3.024 8.267 91 HA LYS 12 HA LYS 12 -9.080 1.471 8.127 92 HB2 LYS 12 1HB LYS 12 -11.695 1.139 9.561 93 HB3 LYS 12 2HB LYS 12 -10.614 -0.234 9.389 94 HG2 LYS 12 1HG LYS 12 -10.313 0.858 11.535 95 HG3 LYS 12 2HG LYS 12 -8.855 0.989 10.554 96 HD2 LYS 12 1HD LYS 12 -9.446 3.275 9.958 97 HD3 LYS 12 2HD LYS 12 -10.942 3.141 10.886 98 HE2 LYS 12 1HE LYS 12 -9.730 2.929 12.934 99 HE3 LYS 12 2HE LYS 12 -8.196 2.799 12.073 100 HZ1 LYS 12 3HZ LYS 12 -8.390 5.056 11.356 101 HZ2 LYS 12 1HZ LYS 12 -8.594 5.014 13.038 102 HZ3 LYS 12 2HZ LYS 12 -9.945 5.202 12.031 103 H TRP 13 H TRP 13 -8.926 -0.599 7.221 104 HA TRP 13 HA TRP 13 -10.508 -0.958 4.820 105 HB2 TRP 13 1HB TRP 13 -7.920 -1.864 5.812 106 HB3 TRP 13 2HB TRP 13 -8.835 -3.167 5.064 107 HD1 TRP 13 HD1 TRP 13 -9.997 -2.184 2.545 108 HE1 TRP 13 HE1 TRP 13 -8.641 -1.102 0.644 109 HE3 TRP 13 HE3 TRP 13 -5.895 -0.719 5.217 110 HZ2 TRP 13 HZ2 TRP 13 -6.151 0.193 0.322 111 HZ3 TRP 13 HZ3 TRP 13 -4.068 0.429 4.040 112 HH2 TRP 13 HH2 TRP 13 -4.196 0.875 1.639 113 H GLU 14 H GLU 14 -11.534 -2.976 4.291 114 HA GLU 14 HA GLU 14 -12.932 -4.168 6.514 115 HB2 GLU 14 1HB GLU 14 -12.969 -4.993 3.606 116 HB3 GLU 14 2HB GLU 14 -14.142 -5.428 4.839 117 HG2 GLU 14 1HG GLU 14 -13.672 -2.694 3.674 118 HG3 GLU 14 2HG GLU 14 -15.073 -3.733 3.425 119 H LYS 15 H LYS 15 -10.986 -5.448 3.848 120 HA LYS 15 HA LYS 15 -10.201 -7.735 5.475 121 HB2 LYS 15 1HB LYS 15 -9.688 -7.080 2.565 122 HB3 LYS 15 2HB LYS 15 -9.149 -8.549 3.370 123 HG2 LYS 15 1HG LYS 15 -12.019 -7.703 3.029 124 HG3 LYS 15 2HG LYS 15 -11.178 -8.900 2.042 125 HD2 LYS 15 1HD LYS 15 -10.788 -10.246 4.086 126 HD3 LYS 15 2HD LYS 15 -11.723 -9.068 5.005 127 HE2 LYS 15 1HE LYS 15 -12.773 -10.652 2.666 128 HE3 LYS 15 2HE LYS 15 -13.033 -11.067 4.359 129 HZ1 LYS 15 3HZ LYS 15 -14.920 -9.891 3.431 130 HZ2 LYS 15 1HZ LYS 15 -13.940 -8.566 3.028 131 HZ3 LYS 15 2HZ LYS 15 -14.196 -8.971 4.656 132 HA PRO 16 HA PRO 16 -6.502 -5.695 6.783 133 HB2 PRO 16 1HB PRO 16 -5.112 -7.991 7.424 134 HB3 PRO 16 2HB PRO 16 -6.291 -7.203 8.475 135 HG2 PRO 16 1HG PRO 16 -6.636 -9.559 6.670 136 HG3 PRO 16 2HG PRO 16 -7.281 -9.288 8.300 137 HD2 PRO 16 1HD PRO 16 -8.812 -8.987 6.110 138 HD3 PRO 16 2HD PRO 16 -9.003 -7.936 7.530 139 H VAL 17 H VAL 17 -4.563 -5.138 5.927 140 HA VAL 17 HA VAL 17 -3.738 -6.556 3.478 141 HB VAL 17 HB VAL 17 -3.148 -3.697 4.281 142 HG11 VAL 17 1HG1 VAL 17 -2.567 -5.190 1.724 143 HG12 VAL 17 2HG1 VAL 17 -1.381 -4.633 2.905 144 HG13 VAL 17 3HG1 VAL 17 -2.319 -3.462 1.978 145 HG21 VAL 17 3HG2 VAL 17 -4.692 -3.076 2.494 146 HG22 VAL 17 1HG2 VAL 17 -5.502 -4.025 3.740 147 HG23 VAL 17 2HG2 VAL 17 -5.052 -4.778 2.210 148 H THR 18 H THR 18 -2.112 -7.902 3.887 149 HA THR 18 HA THR 18 -0.188 -7.259 6.000 150 HB THR 18 HB THR 18 -0.463 -9.865 4.502 151 HG1 THR 18 HG1 THR 18 -1.950 -10.474 5.991 152 HG21 THR 18 3HG2 THR 18 1.640 -9.571 5.710 153 HG22 THR 18 1HG2 THR 18 0.636 -10.784 6.506 154 HG23 THR 18 2HG2 THR 18 0.754 -9.158 7.178 155 H ILE 19 H ILE 19 1.545 -6.190 5.358 156 HA ILE 19 HA ILE 19 2.685 -6.702 2.703 157 HB ILE 19 HB ILE 19 3.159 -4.487 4.704 158 HG12 ILE 19 1HG1 ILE 19 1.091 -4.400 3.304 159 HG13 ILE 19 2HG1 ILE 19 2.186 -3.049 3.034 160 HG21 ILE 19 1HG2 ILE 19 4.684 -3.495 3.048 161 HG22 ILE 19 2HG2 ILE 19 4.547 -4.954 2.066 162 HG23 ILE 19 3HG2 ILE 19 5.281 -5.034 3.667 163 HD11 ILE 19 3HD1 ILE 19 1.217 -3.925 0.962 164 HD12 ILE 19 1HD1 ILE 19 1.987 -5.480 1.276 165 HD13 ILE 19 2HD1 ILE 19 2.977 -4.044 0.993 166 H SER 20 H SER 20 4.213 -8.208 2.627 167 HA SER 20 HA SER 20 5.800 -8.809 4.977 168 HB2 SER 20 1HB SER 20 6.771 -10.571 3.356 169 HB3 SER 20 2HB SER 20 5.096 -10.762 3.875 170 HG SER 20 HG SER 20 5.059 -10.997 1.691 171 H LEU 21 H LEU 21 7.215 -7.124 5.247 172 HA LEU 21 HA LEU 21 8.658 -6.013 3.029 173 HB2 LEU 21 1HB LEU 21 8.962 -5.637 6.005 174 HB3 LEU 21 2HB LEU 21 9.921 -4.783 4.810 175 HG LEU 21 HG LEU 21 6.918 -4.620 5.044 176 HD11 LEU 21 1HD1 LEU 21 7.319 -2.357 5.877 177 HD12 LEU 21 2HD1 LEU 21 9.057 -2.655 5.852 178 HD13 LEU 21 3HD1 LEU 21 8.020 -3.573 6.944 179 HD21 LEU 21 3HD2 LEU 21 8.842 -3.013 3.367 180 HD22 LEU 21 1HD2 LEU 21 7.088 -2.848 3.413 181 HD23 LEU 21 2HD2 LEU 21 7.817 -4.314 2.761 182 H GLN 22 H GLN 22 11.069 -5.861 3.094 183 HA GLN 22 HA GLN 22 11.996 -8.552 2.830 184 HB2 GLN 22 1HB GLN 22 13.375 -5.908 2.366 185 HB3 GLN 22 2HB GLN 22 14.029 -7.478 1.907 186 HG2 GLN 22 1HG GLN 22 12.076 -7.844 0.464 187 HG3 GLN 22 2HG GLN 22 11.482 -6.242 0.893 188 HE21 GLN 22 2HE2 GLN 22 12.210 -7.382 -1.681 189 HE22 GLN 22 1HE2 GLN 22 13.416 -6.328 -2.339 190 H ASN 23 H ASN 23 11.723 -6.844 5.517 191 HA ASN 23 HA ASN 23 14.255 -7.637 6.720 192 HB2 ASN 23 1HB ASN 23 11.819 -6.272 7.895 193 HB3 ASN 23 2HB ASN 23 13.268 -6.670 8.808 194 HD21 ASN 23 2HD2 ASN 23 13.798 -4.619 9.328 195 HD22 ASN 23 1HD2 ASN 23 14.324 -3.433 8.171 196 H GLY 24 H GLY 24 11.436 -9.084 5.891 197 HA2 GLY 24 1HA GLY 24 10.574 -11.160 6.463 198 HA3 GLY 24 2HA GLY 24 11.760 -11.257 7.761 199 H ALA 25 H ALA 25 9.259 -8.863 7.032 200 HA ALA 25 HA ALA 25 7.978 -9.469 9.597 201 HB1 ALA 25 3HB ALA 25 8.704 -6.690 8.678 202 HB2 ALA 25 1HB ALA 25 9.531 -7.595 9.946 203 HB3 ALA 25 2HB ALA 25 7.849 -7.113 10.161 204 HA PRO 26 HA PRO 26 4.492 -8.931 6.780 205 HB2 PRO 26 1HB PRO 26 2.777 -10.464 8.166 206 HB3 PRO 26 2HB PRO 26 4.039 -11.169 7.150 207 HG2 PRO 26 1HG PRO 26 3.943 -10.861 10.115 208 HG3 PRO 26 2HG PRO 26 4.592 -12.194 9.144 209 HD2 PRO 26 1HD PRO 26 6.101 -10.171 10.307 210 HD3 PRO 26 2HD PRO 26 6.633 -11.203 8.965 211 H ARG 27 H ARG 27 4.227 -6.731 7.245 212 HA ARG 27 HA ARG 27 2.974 -5.997 9.766 213 HB2 ARG 27 1HB ARG 27 3.869 -4.287 7.439 214 HB3 ARG 27 2HB ARG 27 3.189 -3.667 8.938 215 HG2 ARG 27 1HG ARG 27 5.101 -4.902 10.104 216 HG3 ARG 27 2HG ARG 27 5.826 -5.020 8.498 217 HD2 ARG 27 1HD ARG 27 6.696 -3.078 9.642 218 HD3 ARG 27 2HD ARG 27 5.690 -2.568 8.288 219 HE ARG 27 HE ARG 27 4.183 -2.709 10.701 220 HH11 ARG 27 1HH1 ARG 27 6.593 -0.737 9.081 221 HH12 ARG 27 2HH1 ARG 27 6.022 0.758 9.773 222 HH21 ARG 27 1HH2 ARG 27 3.467 -0.754 11.653 223 HH22 ARG 27 2HH2 ARG 27 4.259 0.741 11.240 224 H ILE 28 H ILE 28 0.881 -6.105 9.978 225 HA ILE 28 HA ILE 28 -0.818 -6.085 7.599 226 HB ILE 28 HB ILE 28 -1.621 -6.745 10.435 227 HG12 ILE 28 1HG1 ILE 28 -0.807 -8.626 8.201 228 HG13 ILE 28 2HG1 ILE 28 0.154 -8.274 9.634 229 HG21 ILE 28 1HG2 ILE 28 -3.531 -7.839 9.360 230 HG22 ILE 28 2HG2 ILE 28 -2.931 -7.330 7.781 231 HG23 ILE 28 3HG2 ILE 28 -3.460 -6.123 8.953 232 HD11 ILE 28 3HD1 ILE 28 -1.578 -9.258 11.039 233 HD12 ILE 28 1HD1 ILE 28 -0.987 -10.403 9.836 234 HD13 ILE 28 2HD1 ILE 28 -2.544 -9.608 9.602 235 H PHE 29 H PHE 29 -1.732 -4.246 7.035 236 HA PHE 29 HA PHE 29 -1.921 -2.054 8.931 237 HB2 PHE 29 1HB PHE 29 -2.588 -2.189 5.984 238 HB3 PHE 29 2HB PHE 29 -2.614 -0.723 6.959 239 HD1 PHE 29 HD1 PHE 29 -0.506 -3.227 5.343 240 HD2 PHE 29 HD2 PHE 29 -0.566 0.330 7.671 241 HE1 PHE 29 HE1 PHE 29 1.881 -2.884 4.873 242 HE2 PHE 29 HE2 PHE 29 1.823 0.680 7.204 243 HZ PHE 29 HZ PHE 29 3.048 -0.930 5.803 244 H ASN 30 H ASN 30 -3.832 -0.951 9.434 245 HA ASN 30 HA ASN 30 -6.288 -2.521 8.977 246 HB2 ASN 30 1HB ASN 30 -5.509 -0.824 11.357 247 HB3 ASN 30 2HB ASN 30 -7.128 -1.460 11.103 248 HD21 ASN 30 2HD2 ASN 30 -6.105 -3.966 9.950 249 HD22 ASN 30 1HD2 ASN 30 -5.515 -4.889 11.290 250 H GLY 31 H GLY 31 -4.818 0.650 9.040 251 HA2 GLY 31 1HA GLY 31 -7.323 1.795 7.983 252 HA3 GLY 31 2HA GLY 31 -6.090 2.714 8.832 253 H VAL 32 H VAL 32 -7.162 3.384 6.303 254 HA VAL 32 HA VAL 32 -5.293 2.566 4.281 255 HB VAL 32 HB VAL 32 -7.319 4.807 4.169 256 HG11 VAL 32 1HG1 VAL 32 -5.895 3.319 1.968 257 HG12 VAL 32 2HG1 VAL 32 -5.584 4.982 2.467 258 HG13 VAL 32 3HG1 VAL 32 -7.134 4.552 1.751 259 HG21 VAL 32 3HG2 VAL 32 -8.428 2.708 4.656 260 HG22 VAL 32 1HG2 VAL 32 -7.567 1.920 3.335 261 HG23 VAL 32 2HG2 VAL 32 -8.745 3.183 2.987 262 H TYR 33 H TYR 33 -5.675 5.370 6.405 263 HA TYR 33 HA TYR 33 -3.810 6.962 4.924 264 HB2 TYR 33 1HB TYR 33 -5.533 8.065 6.258 265 HB3 TYR 33 2HB TYR 33 -4.857 7.368 7.731 266 HD1 TYR 33 HD1 TYR 33 -3.823 9.458 4.815 267 HD2 TYR 33 HD2 TYR 33 -3.352 8.632 8.960 268 HE1 TYR 33 HE1 TYR 33 -2.280 11.357 5.009 269 HE2 TYR 33 HE2 TYR 33 -1.810 10.536 9.169 270 HH TYR 33 HH TYR 33 -0.304 11.849 7.734 271 H GLU 34 H GLU 34 -3.634 4.927 7.801 272 HA GLU 34 HA GLU 34 -0.961 5.533 8.453 273 HB2 GLU 34 1HB GLU 34 -0.986 3.275 9.594 274 HB3 GLU 34 2HB GLU 34 -2.233 4.405 10.099 275 HG2 GLU 34 1HG GLU 34 -3.855 3.266 8.698 276 HG3 GLU 34 2HG GLU 34 -2.608 2.150 8.146 277 H ALA 35 H ALA 35 -2.372 3.424 6.060 278 HA ALA 35 HA ALA 35 0.092 2.159 5.325 279 HB1 ALA 35 3HB ALA 35 -2.487 2.429 3.781 280 HB2 ALA 35 1HB ALA 35 -2.055 1.098 4.850 281 HB3 ALA 35 2HB ALA 35 -1.142 1.365 3.367 282 H PHE 36 H PHE 36 -1.844 4.837 4.061 283 HA PHE 36 HA PHE 36 -0.261 5.631 1.927 284 HB2 PHE 36 1HB PHE 36 -2.452 6.590 2.338 285 HB3 PHE 36 2HB PHE 36 -1.900 7.295 3.851 286 HD1 PHE 36 HD2 PHE 36 -1.480 7.448 0.177 287 HD2 PHE 36 HD1 PHE 36 -0.927 9.420 3.905 288 HE1 PHE 36 HE2 PHE 36 -0.896 9.520 -1.010 289 HE2 PHE 36 HE1 PHE 36 -0.346 11.498 2.724 290 HZ PHE 36 HZ PHE 36 -0.329 11.547 0.262 291 H ASP 37 H ASP 37 -0.053 6.591 5.329 292 HA ASP 37 HA ASP 37 2.149 8.320 5.122 293 HB2 ASP 37 1HB ASP 37 0.738 8.255 7.106 294 HB3 ASP 37 2HB ASP 37 1.225 6.596 7.431 295 H PHE 38 H PHE 38 1.956 4.855 5.754 296 HA PHE 38 HA PHE 38 4.660 4.284 6.116 297 HB2 PHE 38 1HB PHE 38 3.016 2.619 6.607 298 HB3 PHE 38 2HB PHE 38 2.384 2.667 4.968 299 HD1 PHE 38 HD1 PHE 38 5.347 1.692 6.972 300 HD2 PHE 38 HD2 PHE 38 3.190 1.213 3.331 301 HE1 PHE 38 HE1 PHE 38 6.784 -0.211 6.371 302 HE2 PHE 38 HE2 PHE 38 4.628 -0.687 2.725 303 HZ PHE 38 HZ PHE 38 6.421 -1.402 4.245 304 H LEU 39 H LEU 39 2.724 4.386 3.157 305 HA LEU 39 HA LEU 39 4.639 3.517 1.333 306 HB2 LEU 39 1HB LEU 39 2.404 5.506 0.949 307 HB3 LEU 39 2HB LEU 39 3.297 4.745 -0.354 308 HG LEU 39 HG LEU 39 1.658 3.221 1.668 309 HD11 LEU 39 1HD1 LEU 39 0.005 2.984 -0.135 310 HD12 LEU 39 2HD1 LEU 39 0.941 4.105 -1.125 311 HD13 LEU 39 3HD1 LEU 39 0.199 4.661 0.375 312 HD21 LEU 39 3HD2 LEU 39 3.434 1.921 0.634 313 HD22 LEU 39 1HD2 LEU 39 2.892 2.422 -0.967 314 HD23 LEU 39 2HD2 LEU 39 1.858 1.402 0.037 315 H GLN 40 H GLN 40 3.975 6.777 2.526 316 HA GLN 40 HA GLN 40 5.791 8.093 0.799 317 HB2 GLN 40 1HB GLN 40 4.553 8.877 3.433 318 HB3 GLN 40 2HB GLN 40 5.656 9.935 2.564 319 HG2 GLN 40 1HG GLN 40 4.141 9.944 0.654 320 HG3 GLN 40 2HG GLN 40 3.036 8.883 1.527 321 HE21 GLN 40 2HE2 GLN 40 2.743 11.635 0.466 322 HE22 GLN 40 1HE2 GLN 40 2.204 12.575 1.813 323 H HIS 41 H HIS 41 6.095 6.799 4.070 324 HA HIS 41 HA HIS 41 8.679 7.974 4.453 325 HB2 HIS 41 1HB HIS 41 7.183 5.918 6.080 326 HB3 HIS 41 2HB HIS 41 8.731 6.617 6.547 327 HD1 HIS 41 HD1 HIS 41 8.077 9.580 5.727 328 HD2 HIS 41 HD2 HIS 41 5.621 7.096 7.984 329 HE1 HIS 41 HE1 HIS 41 6.586 11.114 7.050 330 HE2 HIS 41 HE2 HIS 41 4.947 9.578 8.194 331 H GLU 42 H GLU 42 7.528 4.687 3.707 332 HA GLU 42 HA GLU 42 10.138 4.051 2.689 333 HB2 GLU 42 1HB GLU 42 10.308 3.806 5.195 334 HB3 GLU 42 2HB GLU 42 9.183 2.464 5.062 335 HG2 GLU 42 1HG GLU 42 10.718 1.152 3.872 336 HG3 GLU 42 2HG GLU 42 11.755 2.539 3.527 337 H TRP 43 H TRP 43 8.527 3.855 0.910 338 HA TRP 43 HA TRP 43 7.580 1.073 0.817 339 HB2 TRP 43 1HB TRP 43 5.922 2.820 0.193 340 HB3 TRP 43 2HB TRP 43 7.000 3.356 -1.091 341 HD1 TRP 43 HD1 TRP 43 6.355 2.434 -3.379 342 HE1 TRP 43 HE1 TRP 43 5.154 0.334 -4.267 343 HE3 TRP 43 HE3 TRP 43 5.514 0.040 1.061 344 HZ2 TRP 43 HZ2 TRP 43 3.999 -2.021 -3.217 345 HZ3 TRP 43 HZ3 TRP 43 4.352 -2.128 1.032 346 HH2 TRP 43 HH2 TRP 43 3.609 -3.137 -1.065 347 HA PRO 44 HA PRO 44 11.480 0.055 -1.033 348 HB2 PRO 44 1HB PRO 44 10.345 -2.086 -2.523 349 HB3 PRO 44 2HB PRO 44 11.206 -2.177 -0.986 350 HG2 PRO 44 1HG PRO 44 8.293 -2.152 -1.521 351 HG3 PRO 44 2HG PRO 44 9.188 -2.874 -0.173 352 HD2 PRO 44 1HD PRO 44 7.717 -0.644 0.130 353 HD3 PRO 44 2HD PRO 44 9.238 -0.892 1.019 354 H ALA 45 H ALA 45 8.587 0.282 -3.088 355 HA ALA 45 HA ALA 45 10.172 0.745 -5.460 356 HB1 ALA 45 3HB ALA 45 7.201 1.086 -5.035 357 HB2 ALA 45 1HB ALA 45 7.994 -0.375 -5.624 358 HB3 ALA 45 2HB ALA 45 8.039 1.102 -6.588 359 H ARG 46 H ARG 46 11.329 2.584 -5.429 360 HA ARG 46 HA ARG 46 10.169 4.982 -4.206 361 HB2 ARG 46 1HB ARG 46 13.018 4.492 -5.085 362 HB3 ARG 46 2HB ARG 46 12.433 5.848 -4.138 363 HG2 ARG 46 1HG ARG 46 12.007 4.444 -2.256 364 HG3 ARG 46 2HG ARG 46 12.340 2.990 -3.207 365 HD2 ARG 46 1HD ARG 46 14.654 3.779 -3.543 366 HD3 ARG 46 2HD ARG 46 14.306 5.177 -2.528 367 HE ARG 46 HE ARG 46 14.014 3.634 -0.663 368 HH11 ARG 46 1HH1 ARG 46 15.599 2.396 -3.535 369 HH12 ARG 46 2HH1 ARG 46 16.497 1.186 -2.664 370 HH21 ARG 46 1HH2 ARG 46 15.163 2.036 0.466 371 HH22 ARG 46 2HH2 ARG 46 16.225 0.954 -0.391 372 H GLY 47 H GLY 47 8.785 5.382 -6.134 373 HA2 GLY 47 1HA GLY 47 9.016 7.555 -7.370 374 HA3 GLY 47 2HA GLY 47 10.405 6.818 -8.142 375 H ASP 48 H ASP 48 8.770 4.220 -8.235 376 HA ASP 48 HA ASP 48 8.030 4.599 -10.950 377 HB2 ASP 48 1HB ASP 48 8.934 2.461 -10.016 378 HB3 ASP 48 2HB ASP 48 7.404 2.224 -9.178 379 H ARG 49 H ARG 49 5.940 4.003 -11.862 380 HA ARG 49 HA ARG 49 3.783 5.487 -11.005 381 HB2 ARG 49 1HB ARG 49 3.832 2.963 -12.665 382 HB3 ARG 49 2HB ARG 49 2.424 4.003 -12.493 383 HG2 ARG 49 1HG ARG 49 3.195 5.485 -13.971 384 HG3 ARG 49 2HG ARG 49 4.833 5.426 -13.315 385 HD2 ARG 49 1HD ARG 49 3.631 3.304 -15.083 386 HD3 ARG 49 2HD ARG 49 4.640 4.628 -15.666 387 HE ARG 49 HE ARG 49 5.676 2.771 -13.635 388 HH11 ARG 49 1HH1 ARG 49 5.787 4.088 -16.877 389 HH12 ARG 49 2HH1 ARG 49 7.392 3.496 -17.201 390 HH21 ARG 49 1HH2 ARG 49 7.794 2.021 -14.026 391 HH22 ARG 49 2HH2 ARG 49 8.544 2.340 -15.569 392 H ALA 50 H ALA 50 4.655 2.160 -10.223 393 HA ALA 50 HA ALA 50 2.321 1.361 -8.915 394 HB1 ALA 50 3HB ALA 50 4.167 -0.161 -9.447 395 HB2 ALA 50 1HB ALA 50 3.715 -0.262 -7.745 396 HB3 ALA 50 2HB ALA 50 5.163 0.623 -8.221 397 H HIS 51 H HIS 51 5.041 3.283 -7.780 398 HA HIS 51 HA HIS 51 4.160 3.457 -5.069 399 HB2 HIS 51 1HB HIS 51 6.514 3.843 -5.703 400 HB3 HIS 51 2HB HIS 51 6.034 5.255 -6.634 401 HD1 HIS 51 HD1 HIS 51 6.981 4.174 -3.258 402 HD2 HIS 51 HD2 HIS 51 5.151 7.476 -4.998 403 HE1 HIS 51 HE1 HIS 51 7.025 5.974 -1.505 404 HE2 HIS 51 HE2 HIS 51 6.139 8.028 -2.675 405 H GLU 52 H GLU 52 3.919 5.562 -7.915 406 HA GLU 52 HA GLU 52 2.624 7.719 -6.680 407 HB2 GLU 52 1HB GLU 52 2.541 6.748 -9.531 408 HB3 GLU 52 2HB GLU 52 1.790 8.247 -9.001 409 HG2 GLU 52 1HG GLU 52 4.030 8.983 -8.178 410 HG3 GLU 52 2HG GLU 52 4.713 7.554 -8.957 411 H GLN 53 H GLN 53 1.235 4.904 -8.351 412 HA GLN 53 HA GLN 53 -1.455 5.672 -8.146 413 HB2 GLN 53 1HB GLN 53 -0.318 2.871 -8.164 414 HB3 GLN 53 2HB GLN 53 -1.997 3.292 -8.464 415 HG2 GLN 53 1HG GLN 53 -1.280 4.583 -10.439 416 HG3 GLN 53 2HG GLN 53 0.373 4.035 -10.158 417 HE21 GLN 53 2HE2 GLN 53 -1.311 3.583 -12.463 418 HE22 GLN 53 1HE2 GLN 53 -1.476 1.862 -12.623 419 H ALA 54 H ALA 54 0.544 3.675 -6.013 420 HA ALA 54 HA ALA 54 -1.370 2.829 -4.218 421 HB1 ALA 54 3HB ALA 54 0.441 2.506 -2.631 422 HB2 ALA 54 1HB ALA 54 1.486 3.559 -3.584 423 HB3 ALA 54 2HB ALA 54 0.943 2.018 -4.251 424 H LEU 55 H LEU 55 0.602 5.784 -4.030 425 HA LEU 55 HA LEU 55 -0.514 6.708 -1.612 426 HB2 LEU 55 1HB LEU 55 1.046 7.996 -3.812 427 HB3 LEU 55 2HB LEU 55 0.294 9.006 -2.594 428 HG LEU 55 HG LEU 55 1.553 7.739 -0.848 429 HD11 LEU 55 1HD1 LEU 55 1.954 5.686 -2.085 430 HD12 LEU 55 2HD1 LEU 55 3.468 6.397 -1.527 431 HD13 LEU 55 3HD1 LEU 55 2.986 6.555 -3.218 432 HD21 LEU 55 3HD2 LEU 55 2.319 9.897 -1.700 433 HD22 LEU 55 1HD2 LEU 55 3.238 9.072 -2.959 434 HD23 LEU 55 2HD2 LEU 55 3.666 8.847 -1.262 435 H ARG 56 H ARG 56 -1.302 7.490 -4.992 436 HA ARG 56 HA ARG 56 -3.169 9.511 -4.293 437 HB2 ARG 56 1HB ARG 56 -1.936 9.257 -6.504 438 HB3 ARG 56 2HB ARG 56 -3.114 8.013 -6.907 439 HG2 ARG 56 1HG ARG 56 -4.910 9.583 -6.813 440 HG3 ARG 56 2HG ARG 56 -3.849 10.835 -6.165 441 HD2 ARG 56 1HD ARG 56 -2.516 10.642 -8.292 442 HD3 ARG 56 2HD ARG 56 -3.813 9.624 -8.920 443 HE ARG 56 HE ARG 56 -5.013 11.944 -7.990 444 HH11 ARG 56 1HH1 ARG 56 -2.652 11.071 -10.431 445 HH12 ARG 56 2HH1 ARG 56 -3.079 12.389 -11.487 446 HH21 ARG 56 1HH2 ARG 56 -5.542 13.685 -9.347 447 HH22 ARG 56 2HH2 ARG 56 -4.695 13.906 -10.856 448 H LEU 57 H LEU 57 -3.479 6.073 -5.037 449 HA LEU 57 HA LEU 57 -6.321 6.074 -5.103 450 HB2 LEU 57 1HB LEU 57 -4.350 3.842 -4.634 451 HB3 LEU 57 2HB LEU 57 -6.078 3.602 -4.819 452 HG LEU 57 HG LEU 57 -4.263 4.789 -6.926 453 HD11 LEU 57 1HD1 LEU 57 -4.612 2.695 -8.123 454 HD12 LEU 57 2HD1 LEU 57 -5.530 2.062 -6.758 455 HD13 LEU 57 3HD1 LEU 57 -3.814 2.420 -6.576 456 HD21 LEU 57 3HD2 LEU 57 -7.169 3.986 -7.033 457 HD22 LEU 57 1HD2 LEU 57 -6.207 4.558 -8.393 458 HD23 LEU 57 2HD2 LEU 57 -6.552 5.638 -7.042 459 H CYS 58 H CYS 58 -3.937 5.484 -2.546 460 HA CYS 58 HA CYS 58 -5.774 4.787 -0.530 461 HB2 CYS 58 1HB CYS 58 -3.064 6.118 -0.341 462 HB3 CYS 58 2HB CYS 58 -3.982 5.566 1.056 463 HG CYS 58 HG CYS 58 -2.393 3.730 -1.311 464 H ARG 59 H ARG 59 -4.511 7.917 -1.603 465 HA ARG 59 HA ARG 59 -5.848 9.500 0.298 466 HB2 ARG 59 1HB ARG 59 -4.105 10.501 -0.989 467 HB3 ARG 59 2HB ARG 59 -4.909 10.111 -2.505 468 HG2 ARG 59 1HG ARG 59 -6.678 11.693 -2.005 469 HG3 ARG 59 2HG ARG 59 -5.948 12.039 -0.438 470 HD2 ARG 59 1HD ARG 59 -4.495 12.458 -3.034 471 HD3 ARG 59 2HD ARG 59 -5.503 13.704 -2.298 472 HE ARG 59 HE ARG 59 -3.713 12.809 -0.358 473 HH11 ARG 59 1HH1 ARG 59 -3.618 14.441 -3.432 474 HH12 ARG 59 2HH1 ARG 59 -2.235 15.407 -3.039 475 HH21 ARG 59 1HH2 ARG 59 -1.881 14.066 0.194 476 HH22 ARG 59 2HH2 ARG 59 -1.234 15.191 -0.974 477 H ALA 60 H ALA 60 -6.830 8.400 -2.936 478 HA ALA 60 HA ALA 60 -9.311 9.737 -3.005 479 HB1 ALA 60 3HB ALA 60 -8.244 8.793 -4.998 480 HB2 ALA 60 1HB ALA 60 -9.894 8.200 -4.803 481 HB3 ALA 60 2HB ALA 60 -8.530 7.167 -4.378 482 H SER 61 H SER 61 -8.287 6.760 -1.509 483 HA SER 61 HA SER 61 -10.905 5.792 -0.920 484 HB2 SER 61 1HB SER 61 -8.812 4.383 -0.951 485 HB3 SER 61 2HB SER 61 -8.336 5.167 0.555 486 HG SER 61 HG SER 61 -10.885 4.028 0.408 487 H LEU 62 H LEU 62 -8.488 7.705 0.826 488 HA LEU 62 HA LEU 62 -9.879 8.020 3.250 489 HB2 LEU 62 1HB LEU 62 -8.037 10.019 1.931 490 HB3 LEU 62 2HB LEU 62 -8.446 9.946 3.633 491 HG LEU 62 HG LEU 62 -6.898 7.820 2.150 492 HD11 LEU 62 1HD1 LEU 62 -5.645 9.908 2.295 493 HD12 LEU 62 2HD1 LEU 62 -4.953 8.672 3.347 494 HD13 LEU 62 3HD1 LEU 62 -5.935 9.967 4.034 495 HD21 LEU 62 3HD2 LEU 62 -6.403 6.955 4.373 496 HD22 LEU 62 1HD2 LEU 62 -8.143 6.966 4.076 497 HD23 LEU 62 2HD2 LEU 62 -7.414 8.206 5.096 498 H MET 63 H MET 63 -9.972 9.805 0.227 499 HA MET 63 HA MET 63 -11.643 11.910 1.145 500 HB2 MET 63 1HB MET 63 -11.134 10.900 -1.659 501 HB3 MET 63 2HB MET 63 -11.956 12.405 -1.266 502 HG2 MET 63 1HG MET 63 -9.957 13.282 -0.245 503 HG3 MET 63 2HG MET 63 -9.125 11.749 -0.488 504 HE1 MET 63 3HE MET 63 -10.497 15.011 -2.150 505 HE2 MET 63 1HE MET 63 -11.521 13.776 -2.883 506 HE3 MET 63 2HE MET 63 -10.344 14.643 -3.869 507 H GLY 64 H GLY 64 -12.258 8.664 0.201 508 HA2 GLY 64 1HA GLY 64 -14.287 7.617 0.864 509 HA3 GLY 64 2HA GLY 64 -15.113 9.153 0.665 510 H ASP 65 H ASP 65 -12.942 8.123 -1.837 511 HA ASP 65 HA ASP 65 -15.288 7.592 -3.523 512 HB2 ASP 65 1HB ASP 65 -12.518 8.565 -4.170 513 HB3 ASP 65 2HB ASP 65 -13.570 7.898 -5.417 514 H VAL 66 H VAL 66 -12.119 6.299 -2.660 515 HA VAL 66 HA VAL 66 -12.761 3.815 -4.057 516 HB VAL 66 HB VAL 66 -10.248 4.586 -2.553 517 HG11 VAL 66 1HG1 VAL 66 -10.834 2.212 -4.316 518 HG12 VAL 66 2HG1 VAL 66 -10.579 2.182 -2.572 519 HG13 VAL 66 3HG1 VAL 66 -9.256 2.626 -3.650 520 HG21 VAL 66 3HG2 VAL 66 -9.237 4.807 -4.772 521 HG22 VAL 66 1HG2 VAL 66 -10.570 5.939 -4.552 522 HG23 VAL 66 2HG2 VAL 66 -10.803 4.482 -5.517 523 H ALA 67 H ALA 67 -13.865 2.299 -3.004 524 HA ALA 67 HA ALA 67 -13.972 2.457 -0.086 525 HB1 ALA 67 3HB ALA 67 -16.090 2.607 -1.301 526 HB2 ALA 67 1HB ALA 67 -16.036 1.197 -0.240 527 HB3 ALA 67 2HB ALA 67 -15.809 1.003 -1.979 528 H GLY 68 H GLY 68 -12.030 1.382 0.380 529 HA2 GLY 68 1HA GLY 68 -10.998 -0.434 1.304 530 HA3 GLY 68 2HA GLY 68 -12.551 -1.236 1.210 531 H GLU 69 H GLU 69 -13.054 -2.434 -0.688 532 HA GLU 69 HA GLU 69 -11.124 -4.332 -1.210 533 HB2 GLU 69 1HB GLU 69 -13.478 -3.716 -2.994 534 HB3 GLU 69 2HB GLU 69 -12.668 -5.263 -2.804 535 HG2 GLU 69 1HG GLU 69 -14.225 -3.841 -0.656 536 HG3 GLU 69 2HG GLU 69 -14.822 -5.175 -1.641 537 H ILE 70 H ILE 70 -12.112 -1.623 -3.265 538 HA ILE 70 HA ILE 70 -10.592 -2.319 -5.522 539 HB ILE 70 HB ILE 70 -11.533 0.394 -4.574 540 HG12 ILE 70 1HG1 ILE 70 -13.064 0.099 -6.605 541 HG13 ILE 70 2HG1 ILE 70 -12.571 -1.589 -6.602 542 HG21 ILE 70 1HG2 ILE 70 -10.291 -0.320 -7.228 543 HG22 ILE 70 2HG2 ILE 70 -9.570 0.694 -5.977 544 HG23 ILE 70 3HG2 ILE 70 -11.026 1.230 -6.817 545 HD11 ILE 70 3HD1 ILE 70 -13.510 -1.886 -4.395 546 HD12 ILE 70 1HD1 ILE 70 -14.723 -1.224 -5.492 547 HD13 ILE 70 2HD1 ILE 70 -13.928 -0.174 -4.318 548 H ALA 71 H ALA 71 -9.823 -0.284 -2.730 549 HA ALA 71 HA ALA 71 -7.263 0.523 -3.641 550 HB1 ALA 71 3HB ALA 71 -8.358 0.424 -0.832 551 HB2 ALA 71 1HB ALA 71 -8.475 1.784 -1.947 552 HB3 ALA 71 2HB ALA 71 -6.899 1.276 -1.338 553 H ARG 72 H ARG 72 -8.405 -2.150 -1.647 554 HA ARG 72 HA ARG 72 -5.904 -3.034 -0.717 555 HB2 ARG 72 1HB ARG 72 -8.114 -3.774 0.172 556 HB3 ARG 72 2HB ARG 72 -8.349 -4.717 -1.292 557 HG2 ARG 72 1HG ARG 72 -6.163 -5.887 -0.680 558 HG3 ARG 72 2HG ARG 72 -6.363 -5.149 0.911 559 HD2 ARG 72 1HD ARG 72 -7.308 -7.340 0.997 560 HD3 ARG 72 2HD ARG 72 -8.636 -6.180 1.014 561 HE ARG 72 HE ARG 72 -7.802 -7.560 -1.455 562 HH11 ARG 72 1HH1 ARG 72 -10.292 -6.558 0.786 563 HH12 ARG 72 2HH1 ARG 72 -11.594 -7.189 -0.171 564 HH21 ARG 72 1HH2 ARG 72 -9.492 -8.388 -2.720 565 HH22 ARG 72 2HH2 ARG 72 -11.142 -8.251 -2.167 566 H THR 73 H THR 73 -7.810 -3.989 -3.548 567 HA THR 73 HA THR 73 -6.049 -6.002 -4.439 568 HB THR 73 HB THR 73 -7.983 -4.403 -6.126 569 HG1 THR 73 HG1 THR 73 -9.284 -5.217 -4.594 570 HG21 THR 73 3HG2 THR 73 -8.110 -6.458 -7.462 571 HG22 THR 73 1HG2 THR 73 -6.913 -7.218 -6.411 572 HG23 THR 73 2HG2 THR 73 -6.461 -5.836 -7.409 573 H ALA 74 H ALA 74 -6.344 -2.565 -5.252 574 HA ALA 74 HA ALA 74 -4.372 -2.570 -7.289 575 HB1 ALA 74 3HB ALA 74 -5.323 -0.285 -5.566 576 HB2 ALA 74 1HB ALA 74 -6.051 -0.804 -7.086 577 HB3 ALA 74 2HB ALA 74 -4.417 -0.141 -7.073 578 H PHE 75 H PHE 75 -4.272 -2.112 -3.812 579 HA PHE 75 HA PHE 75 -1.609 -1.235 -3.572 580 HB2 PHE 75 1HB PHE 75 -3.574 -1.420 -1.820 581 HB3 PHE 75 2HB PHE 75 -2.879 -3.005 -1.509 582 HD1 PHE 75 HD1 PHE 75 -0.488 -3.149 -0.738 583 HD2 PHE 75 HD2 PHE 75 -2.624 0.524 -0.947 584 HE1 PHE 75 HE1 PHE 75 1.143 -2.117 0.789 585 HE2 PHE 75 HE2 PHE 75 -0.999 1.558 0.580 586 HZ PHE 75 HZ PHE 75 0.889 0.238 1.448 587 H VAL 76 H VAL 76 -3.054 -4.478 -3.433 588 HA VAL 76 HA VAL 76 -0.693 -5.937 -3.038 589 HB VAL 76 HB VAL 76 -3.228 -6.792 -4.450 590 HG11 VAL 76 1HG1 VAL 76 -1.401 -8.278 -5.028 591 HG12 VAL 76 2HG1 VAL 76 -2.517 -9.089 -3.926 592 HG13 VAL 76 3HG1 VAL 76 -0.982 -8.460 -3.324 593 HG21 VAL 76 3HG2 VAL 76 -2.339 -7.100 -1.583 594 HG22 VAL 76 1HG2 VAL 76 -3.782 -7.834 -2.285 595 HG23 VAL 76 2HG2 VAL 76 -3.652 -6.080 -2.176 596 H ALA 77 H ALA 77 -2.254 -4.799 -5.996 597 HA ALA 77 HA ALA 77 -0.641 -6.147 -7.855 598 HB1 ALA 77 3HB ALA 77 -1.357 -4.426 -9.452 599 HB2 ALA 77 1HB ALA 77 -1.999 -3.464 -8.118 600 HB3 ALA 77 2HB ALA 77 -2.707 -5.037 -8.493 601 H ALA 78 H ALA 78 -0.153 -3.143 -6.089 602 HA ALA 78 HA ALA 78 2.267 -2.439 -7.448 603 HB1 ALA 78 3HB ALA 78 1.217 -1.518 -4.771 604 HB2 ALA 78 1HB ALA 78 0.890 -0.754 -6.327 605 HB3 ALA 78 2HB ALA 78 2.532 -0.772 -5.680 606 H SER 79 H SER 79 1.459 -4.031 -4.393 607 HA SER 79 HA SER 79 4.049 -4.399 -3.418 608 HB2 SER 79 1HB SER 79 1.656 -6.214 -3.025 609 HB3 SER 79 2HB SER 79 3.077 -6.113 -1.984 610 HG SER 79 HG SER 79 1.817 -4.737 -0.974 611 H ARG 80 H ARG 80 2.260 -6.158 -5.855 612 HA ARG 80 HA ARG 80 3.759 -8.517 -5.965 613 HB2 ARG 80 1HB ARG 80 2.173 -6.985 -7.991 614 HB3 ARG 80 2HB ARG 80 3.119 -8.377 -8.496 615 HG2 ARG 80 1HG ARG 80 1.889 -9.805 -6.987 616 HG3 ARG 80 2HG ARG 80 0.993 -8.417 -6.364 617 HD2 ARG 80 1HD ARG 80 -0.237 -9.791 -8.055 618 HD3 ARG 80 2HD ARG 80 -0.094 -8.080 -8.449 619 HE ARG 80 HE ARG 80 2.019 -9.576 -9.627 620 HH11 ARG 80 1HH1 ARG 80 -1.407 -8.943 -9.955 621 HH12 ARG 80 2HH1 ARG 80 -1.408 -9.104 -11.686 622 HH21 ARG 80 1HH2 ARG 80 2.035 -9.808 -11.888 623 HH22 ARG 80 2HH2 ARG 80 0.562 -9.600 -12.790 624 H GLN 81 H GLN 81 4.320 -5.381 -7.487 625 HA GLN 81 HA GLN 81 6.533 -6.302 -9.046 626 HB2 GLN 81 1HB GLN 81 5.742 -3.469 -8.360 627 HB3 GLN 81 2HB GLN 81 6.812 -3.967 -9.666 628 HG2 GLN 81 1HG GLN 81 4.924 -5.195 -10.689 629 HG3 GLN 81 2HG GLN 81 3.871 -4.570 -9.422 630 HE21 GLN 81 2HE2 GLN 81 2.557 -3.472 -10.826 631 HE22 GLN 81 1HE2 GLN 81 3.060 -2.052 -11.671 632 H ALA 82 H ALA 82 6.132 -5.241 -5.827 633 HA ALA 82 HA ALA 82 9.007 -4.827 -5.466 634 HB1 ALA 82 3HB ALA 82 8.423 -4.119 -3.196 635 HB2 ALA 82 1HB ALA 82 6.732 -4.508 -3.509 636 HB3 ALA 82 2HB ALA 82 7.520 -3.209 -4.407 637 H HIS 83 H HIS 83 6.746 -7.260 -5.398 638 HA HIS 83 HA HIS 83 6.714 -9.420 -4.757 639 HB2 HIS 83 1HB HIS 83 9.638 -8.990 -4.116 640 HB3 HIS 83 2HB HIS 83 8.834 -10.553 -4.189 641 HD1 HIS 83 HD1 HIS 83 7.997 -11.325 -6.610 642 HD2 HIS 83 HD2 HIS 83 10.480 -7.984 -6.524 643 HE1 HIS 83 HE1 HIS 83 8.799 -11.012 -8.971 644 HE2 HIS 83 HE2 HIS 83 10.415 -9.076 -8.871 645 H CYS 84 H CYS 84 6.077 -7.298 -2.898 646 HA CYS 84 HA CYS 84 6.708 -8.564 -0.326 647 HB2 CYS 84 1HB CYS 84 5.511 -5.836 -0.885 648 HB3 CYS 84 2HB CYS 84 5.934 -6.472 0.704 649 HG CYS 84 HG CYS 84 8.712 -6.816 -0.453 650 H LEU 85 H LEU 85 5.194 -10.254 -1.182 651 HA LEU 85 HA LEU 85 2.372 -9.480 -0.904 652 HB2 LEU 85 1HB LEU 85 3.596 -11.856 -2.300 653 HB3 LEU 85 2HB LEU 85 1.878 -11.530 -2.183 654 HG LEU 85 HG LEU 85 3.866 -9.743 -3.578 655 HD11 LEU 85 1HD1 LEU 85 1.884 -11.710 -4.710 656 HD12 LEU 85 2HD1 LEU 85 3.641 -11.857 -4.746 657 HD13 LEU 85 3HD1 LEU 85 2.847 -10.565 -5.645 658 HD21 LEU 85 3HD2 LEU 85 1.875 -8.638 -4.468 659 HD22 LEU 85 1HD2 LEU 85 1.929 -8.545 -2.708 660 HD23 LEU 85 2HD2 LEU 85 0.852 -9.696 -3.497 661 H MET 86 H MET 86 1.052 -10.504 0.498 662 HA MET 86 HA MET 86 1.884 -12.951 1.808 663 HB2 MET 86 1HB MET 86 1.954 -10.349 3.131 664 HB3 MET 86 2HB MET 86 0.921 -11.501 3.966 665 HG2 MET 86 1HG MET 86 3.793 -11.982 3.212 666 HG3 MET 86 2HG MET 86 3.226 -11.495 4.808 667 HE1 MET 86 3HE MET 86 0.639 -13.120 5.333 668 HE2 MET 86 1HE MET 86 1.969 -13.036 6.489 669 HE3 MET 86 2HE MET 86 1.273 -14.597 6.056 670 H GLU 87 H GLU 87 0.013 -13.451 3.522 671 HA GLU 87 HA GLU 87 -2.570 -12.839 2.271 672 HB2 GLU 87 1HB GLU 87 -1.198 -15.223 1.893 673 HB3 GLU 87 2HB GLU 87 -2.309 -15.605 3.200 674 HG2 GLU 87 1HG GLU 87 -3.280 -14.275 0.704 675 HG3 GLU 87 2HG GLU 87 -3.034 -16.018 0.764 676 H ASP 88 H ASP 88 -4.347 -13.905 3.770 677 HA ASP 88 HA ASP 88 -4.191 -12.781 6.348 678 HB2 ASP 88 1HB ASP 88 -6.332 -13.221 5.267 679 HB3 ASP 88 2HB ASP 88 -6.014 -14.951 5.276 680 H LYS 89 H LYS 89 -3.596 -16.026 5.151 681 HA LYS 89 HA LYS 89 -2.968 -17.020 7.803 682 HB2 LYS 89 1HB LYS 89 -2.758 -18.369 5.103 683 HB3 LYS 89 2HB LYS 89 -2.550 -19.160 6.660 684 HG2 LYS 89 1HG LYS 89 -5.082 -17.868 5.657 685 HG3 LYS 89 2HG LYS 89 -4.755 -19.601 5.736 686 HD2 LYS 89 1HD LYS 89 -4.585 -19.489 8.154 687 HD3 LYS 89 2HD LYS 89 -4.806 -17.740 8.109 688 HE2 LYS 89 1HE LYS 89 -6.836 -19.760 7.160 689 HE3 LYS 89 2HE LYS 89 -6.857 -18.977 8.739 690 HZ1 LYS 89 3HZ LYS 89 -7.116 -17.623 6.105 691 HZ2 LYS 89 1HZ LYS 89 -7.042 -16.820 7.598 692 HZ3 LYS 89 2HZ LYS 89 -8.345 -17.849 7.245 693 H ALA 90 H ALA 90 -0.941 -17.383 8.588 694 HA ALA 90 HA ALA 90 1.078 -15.681 7.510 695 HB1 ALA 90 3HB ALA 90 0.688 -15.904 9.915 696 HB2 ALA 90 1HB ALA 90 2.358 -16.272 9.482 697 HB3 ALA 90 2HB ALA 90 1.231 -17.580 9.842 698 H GLU 91 H GLU 91 3.357 -16.376 7.367 699 HA GLU 91 HA GLU 91 3.628 -18.440 5.408 700 HB2 GLU 91 1HB GLU 91 4.905 -16.183 5.691 701 HB3 GLU 91 2HB GLU 91 5.908 -17.073 6.821 702 HG2 GLU 91 1HG GLU 91 5.477 -17.974 3.990 703 HG3 GLU 91 2HG GLU 91 6.756 -16.854 4.451 704 H ALA 92 H ALA 92 4.181 -20.519 5.714 705 HA ALA 92 HA ALA 92 4.996 -21.348 8.422 706 HB1 ALA 92 3HB ALA 92 3.368 -22.894 6.407 707 HB2 ALA 92 1HB ALA 92 2.745 -22.106 7.856 708 HB3 ALA 92 2HB ALA 92 3.853 -23.470 8.002 709 HA PRO 93 HA PRO 93 8.762 -22.258 6.176 710 HB2 PRO 93 1HB PRO 93 10.036 -23.386 8.347 711 HB3 PRO 93 2HB PRO 93 9.984 -21.656 7.993 712 HG2 PRO 93 1HG PRO 93 8.307 -23.256 9.883 713 HG3 PRO 93 2HG PRO 93 9.006 -21.640 10.095 714 HD2 PRO 93 1HD PRO 93 6.414 -21.982 9.497 715 HD3 PRO 93 2HD PRO 93 7.348 -20.621 8.836 716 H ASN 94 H ASN 94 8.271 -24.760 8.660 717 HA ASN 94 HA ASN 94 8.583 -26.759 6.522 718 HB2 ASN 94 1HB ASN 94 10.476 -26.692 8.091 719 HB3 ASN 94 2HB ASN 94 9.374 -26.955 9.438 720 HD21 ASN 94 2HD2 ASN 94 10.381 -28.846 10.063 721 HD22 ASN 94 1HD2 ASN 94 10.253 -30.315 9.149 722 H THR 95 H THR 95 7.172 -28.403 6.366 723 HA THR 95 HA THR 95 5.159 -28.738 8.481 724 HB THR 95 HB THR 95 4.487 -28.824 5.532 725 HG1 THR 95 HG1 THR 95 4.855 -26.683 5.905 726 HG21 THR 95 3HG2 THR 95 2.718 -28.679 7.979 727 HG22 THR 95 1HG2 THR 95 3.003 -30.121 7.006 728 HG23 THR 95 2HG2 THR 95 2.171 -28.734 6.303 729 H ILE 96 H ILE 96 4.121 -30.887 8.384 730 HA ILE 96 HA ILE 96 6.127 -32.891 7.712 731 HB ILE 96 HB ILE 96 4.720 -34.443 9.040 732 HG12 ILE 96 1HG1 ILE 96 3.067 -31.971 9.618 733 HG13 ILE 96 2HG1 ILE 96 2.547 -33.336 8.635 734 HG21 ILE 96 1HG2 ILE 96 5.475 -31.877 10.433 735 HG22 ILE 96 2HG2 ILE 96 6.549 -33.233 10.086 736 HG23 ILE 96 3HG2 ILE 96 5.212 -33.435 11.218 737 HD11 ILE 96 3HD1 ILE 96 2.706 -34.794 10.593 738 HD12 ILE 96 1HD1 ILE 96 1.589 -33.453 10.851 739 HD13 ILE 96 2HD1 ILE 96 3.200 -33.410 11.571 740 H ALA 97 H ALA 97 4.918 -35.145 7.229 741 HA ALA 97 HA ALA 97 3.576 -34.681 4.672 742 HB1 ALA 97 3HB ALA 97 5.553 -36.134 4.702 743 HB2 ALA 97 1HB ALA 97 4.111 -37.002 4.177 744 HB3 ALA 97 2HB ALA 97 4.727 -37.227 5.814 745 H SER 98 H SER 98 1.500 -35.052 4.357 746 HA SER 98 HA SER 98 0.061 -36.860 6.167 747 HB2 SER 98 1HB SER 98 -0.336 -34.505 6.892 748 HB3 SER 98 2HB SER 98 -0.965 -34.146 5.286 749 HG SER 98 HG SER 98 -2.730 -35.335 5.675 750 H GLY 99 H GLY 99 -1.636 -37.991 5.186 751 HA2 GLY 99 1HA GLY 99 -2.163 -37.439 2.352 752 HA3 GLY 99 2HA GLY 99 -1.530 -39.023 2.779 753 H SER 100 H SER 100 -2.864 -39.551 5.103 754 HA SER 100 HA SER 100 -5.705 -39.383 4.397 755 HB2 SER 100 1HB SER 100 -4.245 -41.907 5.228 756 HB3 SER 100 2HB SER 100 -5.987 -41.768 4.985 757 HG SER 100 HG SER 100 -5.615 -41.332 2.805 Start of MODEL 16 1 H1 MET 1 1H MET 1 1.360 25.682 1.094 2 H2 MET 1 2H MET 1 0.558 24.670 2.191 3 H3 MET 1 3H MET 1 1.461 25.986 2.761 4 HA MET 1 HA MET 1 -0.921 26.410 2.831 5 HB2 MET 1 1HB MET 1 0.726 28.046 0.898 6 HB3 MET 1 2HB MET 1 -0.862 28.546 1.465 7 HG2 MET 1 1HG MET 1 -0.034 28.526 3.769 8 HG3 MET 1 2HG MET 1 1.558 28.053 3.182 9 HE1 MET 1 3HE MET 1 0.872 30.595 5.066 10 HE2 MET 1 1HE MET 1 1.964 31.794 4.373 11 HE3 MET 1 2HE MET 1 2.510 30.133 4.606 12 H GLU 2 H GLU 2 -2.588 25.333 2.075 13 HA GLU 2 HA GLU 2 -3.038 25.303 -0.831 14 HB2 GLU 2 1HB GLU 2 -3.395 22.996 1.090 15 HB3 GLU 2 2HB GLU 2 -3.990 23.004 -0.566 16 HG2 GLU 2 1HG GLU 2 -1.814 23.027 -1.458 17 HG3 GLU 2 2HG GLU 2 -1.099 23.442 0.098 18 H VAL 3 H VAL 3 -4.751 26.540 -1.143 19 HA VAL 3 HA VAL 3 -6.560 27.189 0.969 20 HB VAL 3 HB VAL 3 -6.792 27.874 -1.968 21 HG11 VAL 3 1HG1 VAL 3 -8.024 29.146 0.475 22 HG12 VAL 3 2HG1 VAL 3 -8.867 28.208 -0.758 23 HG13 VAL 3 3HG1 VAL 3 -8.148 29.764 -1.172 24 HG21 VAL 3 3HG2 VAL 3 -5.702 29.990 -1.399 25 HG22 VAL 3 1HG2 VAL 3 -4.646 28.615 -1.078 26 HG23 VAL 3 2HG2 VAL 3 -5.466 29.425 0.255 27 H GLN 4 H GLN 4 -8.291 26.105 1.548 28 HA GLN 4 HA GLN 4 -10.192 24.873 1.520 29 HB2 GLN 4 1HB GLN 4 -10.077 25.186 -1.486 30 HB3 GLN 4 2HB GLN 4 -11.467 24.651 -0.554 31 HG2 GLN 4 1HG GLN 4 -11.632 26.825 0.500 32 HG3 GLN 4 2HG GLN 4 -10.184 27.366 -0.349 33 HE21 GLN 4 2HE2 GLN 4 -12.839 28.500 -0.429 34 HE22 GLN 4 1HE2 GLN 4 -13.355 28.433 -2.087 35 H SER 5 H SER 5 -7.498 23.689 1.252 36 HA SER 5 HA SER 5 -7.525 21.414 -0.375 37 HB2 SER 5 1HB SER 5 -5.891 20.539 1.450 38 HB3 SER 5 2HB SER 5 -5.430 21.960 0.512 39 HG SER 5 HG SER 5 -5.675 23.207 2.228 40 H MET 6 H MET 6 -8.300 19.377 -0.132 41 HA MET 6 HA MET 6 -10.602 19.143 1.556 42 HB2 MET 6 1HB MET 6 -9.290 17.102 -0.250 43 HB3 MET 6 2HB MET 6 -10.873 16.933 0.498 44 HG2 MET 6 1HG MET 6 -11.654 18.903 -0.738 45 HG3 MET 6 2HG MET 6 -10.076 19.028 -1.513 46 HE1 MET 6 3HE MET 6 -13.036 15.541 -2.153 47 HE2 MET 6 1HE MET 6 -13.383 16.964 -1.168 48 HE3 MET 6 2HE MET 6 -12.171 15.800 -0.636 49 H LEU 7 H LEU 7 -10.996 17.465 3.088 50 HA LEU 7 HA LEU 7 -8.741 17.163 4.853 51 HB2 LEU 7 1HB LEU 7 -11.578 16.185 5.175 52 HB3 LEU 7 2HB LEU 7 -10.363 16.262 6.435 53 HG LEU 7 HG LEU 7 -11.610 18.623 5.026 54 HD11 LEU 7 1HD1 LEU 7 -12.609 19.090 7.203 55 HD12 LEU 7 2HD1 LEU 7 -11.885 17.621 7.857 56 HD13 LEU 7 3HD1 LEU 7 -13.113 17.513 6.596 57 HD21 LEU 7 3HD2 LEU 7 -10.379 19.981 6.652 58 HD22 LEU 7 1HD2 LEU 7 -9.291 19.078 5.598 59 HD23 LEU 7 2HD2 LEU 7 -9.573 18.530 7.251 60 H LEU 8 H LEU 8 -7.446 15.465 4.937 61 HA LEU 8 HA LEU 8 -8.212 12.960 3.677 62 HB2 LEU 8 1HB LEU 8 -5.677 13.755 5.121 63 HB3 LEU 8 2HB LEU 8 -5.929 12.229 4.296 64 HG LEU 8 HG LEU 8 -5.830 14.957 3.005 65 HD11 LEU 8 1HD1 LEU 8 -3.805 14.109 1.946 66 HD12 LEU 8 2HD1 LEU 8 -3.956 12.603 2.852 67 HD13 LEU 8 3HD1 LEU 8 -3.652 14.119 3.702 68 HD21 LEU 8 3HD2 LEU 8 -7.442 13.501 1.883 69 HD22 LEU 8 1HD2 LEU 8 -6.214 12.242 1.751 70 HD23 LEU 8 2HD2 LEU 8 -6.011 13.765 0.885 71 H ASN 9 H ASN 9 -9.749 12.027 4.891 72 HA ASN 9 HA ASN 9 -9.699 12.058 7.763 73 HB2 ASN 9 1HB ASN 9 -11.491 10.533 5.854 74 HB3 ASN 9 2HB ASN 9 -11.753 10.703 7.585 75 HD21 ASN 9 2HD2 ASN 9 -11.872 12.278 4.496 76 HD22 ASN 9 1HD2 ASN 9 -12.749 13.673 5.021 77 H ASP 10 H ASP 10 -9.479 10.259 9.137 78 HA ASP 10 HA ASP 10 -7.667 8.235 8.174 79 HB2 ASP 10 1HB ASP 10 -8.970 8.660 10.873 80 HB3 ASP 10 2HB ASP 10 -7.839 7.354 10.530 81 H VAL 11 H VAL 11 -8.641 6.883 6.779 82 HA VAL 11 HA VAL 11 -11.173 5.629 7.584 83 HB VAL 11 HB VAL 11 -9.901 5.722 4.838 84 HG11 VAL 11 1HG1 VAL 11 -12.081 4.921 4.044 85 HG12 VAL 11 2HG1 VAL 11 -12.624 4.768 5.716 86 HG13 VAL 11 3HG1 VAL 11 -11.302 3.762 5.122 87 HG21 VAL 11 3HG2 VAL 11 -12.216 7.302 5.956 88 HG22 VAL 11 1HG2 VAL 11 -11.675 7.322 4.278 89 HG23 VAL 11 2HG2 VAL 11 -10.622 7.936 5.551 90 H LYS 12 H LYS 12 -11.328 3.427 7.778 91 HA LYS 12 HA LYS 12 -8.788 1.981 7.809 92 HB2 LYS 12 1HB LYS 12 -11.481 1.443 9.032 93 HB3 LYS 12 2HB LYS 12 -10.251 0.191 8.937 94 HG2 LYS 12 1HG LYS 12 -8.721 1.627 10.218 95 HG3 LYS 12 2HG LYS 12 -10.002 2.835 10.352 96 HD2 LYS 12 1HD LYS 12 -11.375 1.332 11.612 97 HD3 LYS 12 2HD LYS 12 -10.260 -0.005 11.326 98 HE2 LYS 12 1HE LYS 12 -10.008 0.900 13.581 99 HE3 LYS 12 2HE LYS 12 -8.543 1.127 12.629 100 HZ1 LYS 12 3HZ LYS 12 -9.193 3.085 13.959 101 HZ2 LYS 12 1HZ LYS 12 -10.608 3.225 13.035 102 HZ3 LYS 12 2HZ LYS 12 -9.091 3.412 12.302 103 H TRP 13 H TRP 13 -8.592 -0.108 6.899 104 HA TRP 13 HA TRP 13 -9.959 -0.339 4.349 105 HB2 TRP 13 1HB TRP 13 -7.410 -1.146 5.417 106 HB3 TRP 13 2HB TRP 13 -8.234 -2.543 4.736 107 HD1 TRP 13 HD1 TRP 13 -9.572 -1.366 2.207 108 HE1 TRP 13 HE1 TRP 13 -8.165 -0.484 0.243 109 HE3 TRP 13 HE3 TRP 13 -5.187 -0.509 4.683 110 HZ2 TRP 13 HZ2 TRP 13 -5.531 0.441 -0.200 111 HZ3 TRP 13 HZ3 TRP 13 -3.271 0.371 3.418 112 HH2 TRP 13 HH2 TRP 13 -3.440 0.836 1.028 113 H GLU 14 H GLU 14 -11.345 -1.938 3.778 114 HA GLU 14 HA GLU 14 -12.662 -3.448 5.792 115 HB2 GLU 14 1HB GLU 14 -12.750 -3.672 2.779 116 HB3 GLU 14 2HB GLU 14 -13.842 -4.507 3.876 117 HG2 GLU 14 1HG GLU 14 -13.578 -1.522 3.588 118 HG3 GLU 14 2HG GLU 14 -14.870 -2.518 2.918 119 H LYS 15 H LYS 15 -10.276 -4.176 3.318 120 HA LYS 15 HA LYS 15 -9.937 -6.853 4.465 121 HB2 LYS 15 1HB LYS 15 -9.237 -5.794 1.724 122 HB3 LYS 15 2HB LYS 15 -8.776 -7.387 2.309 123 HG2 LYS 15 1HG LYS 15 -11.592 -6.384 1.957 124 HG3 LYS 15 2HG LYS 15 -10.742 -7.507 0.892 125 HD2 LYS 15 1HD LYS 15 -10.543 -9.101 2.745 126 HD3 LYS 15 2HD LYS 15 -11.406 -7.979 3.799 127 HE2 LYS 15 1HE LYS 15 -13.366 -8.130 2.352 128 HE3 LYS 15 2HE LYS 15 -12.502 -9.239 1.289 129 HZ1 LYS 15 3HZ LYS 15 -13.214 -9.736 4.128 130 HZ2 LYS 15 1HZ LYS 15 -12.317 -10.790 3.152 131 HZ3 LYS 15 2HZ LYS 15 -13.935 -10.454 2.773 132 HA PRO 16 HA PRO 16 -6.172 -5.175 6.143 133 HB2 PRO 16 1HB PRO 16 -5.539 -7.960 6.805 134 HB3 PRO 16 2HB PRO 16 -5.802 -6.586 7.881 135 HG2 PRO 16 1HG PRO 16 -7.572 -8.608 7.675 136 HG3 PRO 16 2HG PRO 16 -8.072 -6.936 7.991 137 HD2 PRO 16 1HD PRO 16 -8.149 -8.489 5.432 138 HD3 PRO 16 2HD PRO 16 -9.341 -7.352 6.100 139 H VAL 17 H VAL 17 -4.142 -4.932 5.418 140 HA VAL 17 HA VAL 17 -3.121 -6.874 3.449 141 HB VAL 17 HB VAL 17 -2.438 -3.930 3.622 142 HG11 VAL 17 1HG1 VAL 17 -1.299 -4.299 1.486 143 HG12 VAL 17 2HG1 VAL 17 -1.683 -6.018 1.581 144 HG13 VAL 17 3HG1 VAL 17 -0.607 -5.287 2.773 145 HG21 VAL 17 3HG2 VAL 17 -3.686 -3.702 1.515 146 HG22 VAL 17 1HG2 VAL 17 -4.723 -4.222 2.843 147 HG23 VAL 17 2HG2 VAL 17 -4.182 -5.390 1.637 148 H THR 18 H THR 18 -1.355 -7.949 4.085 149 HA THR 18 HA THR 18 0.075 -6.952 6.460 150 HB THR 18 HB THR 18 -0.043 -9.797 5.434 151 HG1 THR 18 HG1 THR 18 -2.110 -9.217 6.120 152 HG21 THR 18 3HG2 THR 18 0.810 -8.654 8.092 153 HG22 THR 18 1HG2 THR 18 1.891 -9.273 6.846 154 HG23 THR 18 2HG2 THR 18 0.772 -10.364 7.662 155 H ILE 19 H ILE 19 1.724 -5.758 5.596 156 HA ILE 19 HA ILE 19 3.185 -6.796 3.299 157 HB ILE 19 HB ILE 19 3.431 -4.194 4.825 158 HG12 ILE 19 1HG1 ILE 19 1.419 -4.589 3.314 159 HG13 ILE 19 2HG1 ILE 19 2.382 -3.154 2.972 160 HG21 ILE 19 1HG2 ILE 19 4.929 -5.083 2.364 161 HG22 ILE 19 2HG2 ILE 19 5.615 -4.844 3.970 162 HG23 ILE 19 3HG2 ILE 19 4.978 -3.468 3.071 163 HD11 ILE 19 3HD1 ILE 19 1.718 -4.305 0.940 164 HD12 ILE 19 1HD1 ILE 19 2.543 -5.764 1.489 165 HD13 ILE 19 2HD1 ILE 19 3.469 -4.302 1.142 166 H SER 20 H SER 20 4.532 -8.391 3.864 167 HA SER 20 HA SER 20 6.069 -8.203 6.305 168 HB2 SER 20 1HB SER 20 7.048 -10.420 5.144 169 HB3 SER 20 2HB SER 20 5.535 -10.414 6.051 170 HG SER 20 HG SER 20 4.443 -10.684 4.257 171 H LEU 21 H LEU 21 7.603 -6.730 6.199 172 HA LEU 21 HA LEU 21 8.936 -6.066 3.755 173 HB2 LEU 21 1HB LEU 21 9.284 -5.141 6.598 174 HB3 LEU 21 2HB LEU 21 10.273 -4.547 5.278 175 HG LEU 21 HG LEU 21 7.272 -4.272 5.432 176 HD11 LEU 21 1HD1 LEU 21 8.415 -2.949 7.150 177 HD12 LEU 21 2HD1 LEU 21 7.706 -1.923 5.903 178 HD13 LEU 21 3HD1 LEU 21 9.443 -2.234 5.907 179 HD21 LEU 21 3HD2 LEU 21 8.156 -4.361 3.147 180 HD22 LEU 21 1HD2 LEU 21 9.293 -3.071 3.539 181 HD23 LEU 21 2HD2 LEU 21 7.558 -2.752 3.547 182 H GLN 22 H GLN 22 11.318 -5.812 3.725 183 HA GLN 22 HA GLN 22 12.585 -8.321 3.972 184 HB2 GLN 22 1HB GLN 22 13.812 -5.589 3.544 185 HB3 GLN 22 2HB GLN 22 14.590 -7.132 3.213 186 HG2 GLN 22 1HG GLN 22 13.053 -7.611 1.455 187 HG3 GLN 22 2HG GLN 22 12.058 -6.219 1.877 188 HE21 GLN 22 2HE2 GLN 22 13.345 -6.916 -0.643 189 HE22 GLN 22 1HE2 GLN 22 14.352 -5.563 -1.045 190 H ASN 23 H ASN 23 12.000 -5.879 6.198 191 HA ASN 23 HA ASN 23 14.206 -6.195 7.957 192 HB2 ASN 23 1HB ASN 23 11.372 -5.318 8.571 193 HB3 ASN 23 2HB ASN 23 12.775 -5.074 9.606 194 HD21 ASN 23 2HD2 ASN 23 14.178 -3.420 9.171 195 HD22 ASN 23 1HD2 ASN 23 13.883 -2.226 7.950 196 H GLY 24 H GLY 24 11.581 -8.185 7.155 197 HA2 GLY 24 1HA GLY 24 11.333 -10.407 7.839 198 HA3 GLY 24 2HA GLY 24 12.349 -10.075 9.232 199 H ALA 25 H ALA 25 9.584 -8.108 8.338 200 HA ALA 25 HA ALA 25 7.982 -9.313 10.459 201 HB1 ALA 25 3HB ALA 25 9.300 -7.569 11.566 202 HB2 ALA 25 1HB ALA 25 7.580 -7.179 11.558 203 HB3 ALA 25 2HB ALA 25 8.672 -6.376 10.429 204 HA PRO 26 HA PRO 26 4.870 -8.237 7.357 205 HB2 PRO 26 1HB PRO 26 3.089 -9.816 9.030 206 HB3 PRO 26 2HB PRO 26 3.634 -10.132 7.383 207 HG2 PRO 26 1HG PRO 26 4.397 -11.643 9.492 208 HG3 PRO 26 2HG PRO 26 5.425 -11.379 8.072 209 HD2 PRO 26 1HD PRO 26 5.526 -10.039 10.757 210 HD3 PRO 26 2HD PRO 26 6.864 -10.636 9.747 211 H ARG 27 H ARG 27 4.258 -6.178 7.641 212 HA ARG 27 HA ARG 27 2.976 -5.381 10.145 213 HB2 ARG 27 1HB ARG 27 3.845 -3.731 7.761 214 HB3 ARG 27 2HB ARG 27 3.136 -3.081 9.232 215 HG2 ARG 27 1HG ARG 27 5.047 -4.008 10.506 216 HG3 ARG 27 2HG ARG 27 5.773 -4.509 8.979 217 HD2 ARG 27 1HD ARG 27 6.715 -2.394 9.732 218 HD3 ARG 27 2HD ARG 27 5.815 -2.180 8.232 219 HE ARG 27 HE ARG 27 4.315 -0.839 9.343 220 HH11 ARG 27 1HH1 ARG 27 6.347 -2.470 11.678 221 HH12 ARG 27 2HH1 ARG 27 5.795 -1.520 13.021 222 HH21 ARG 27 1HH2 ARG 27 3.602 0.429 11.089 223 HH22 ARG 27 2HH2 ARG 27 4.209 0.121 12.693 224 H ILE 28 H ILE 28 0.868 -5.604 10.298 225 HA ILE 28 HA ILE 28 -0.788 -5.820 7.925 226 HB ILE 28 HB ILE 28 -1.661 -5.870 10.820 227 HG12 ILE 28 1HG1 ILE 28 -0.987 -8.197 9.005 228 HG13 ILE 28 2HG1 ILE 28 0.027 -7.626 10.327 229 HG21 ILE 28 1HG2 ILE 28 -3.617 -7.054 9.940 230 HG22 ILE 28 2HG2 ILE 28 -2.989 -6.871 8.303 231 HG23 ILE 28 3HG2 ILE 28 -3.460 -5.448 9.232 232 HD11 ILE 28 3HD1 ILE 28 -1.250 -9.595 10.961 233 HD12 ILE 28 1HD1 ILE 28 -2.753 -8.748 10.599 234 HD13 ILE 28 2HD1 ILE 28 -1.724 -8.195 11.921 235 H PHE 29 H PHE 29 -1.655 -4.104 6.989 236 HA PHE 29 HA PHE 29 -2.097 -1.676 8.577 237 HB2 PHE 29 1HB PHE 29 -2.278 -2.022 5.576 238 HB3 PHE 29 2HB PHE 29 -2.312 -0.503 6.461 239 HD1 PHE 29 HD1 PHE 29 -0.244 0.296 7.606 240 HD2 PHE 29 HD2 PHE 29 -0.264 -3.076 5.015 241 HE1 PHE 29 HE1 PHE 29 2.206 0.450 7.386 242 HE2 PHE 29 HE2 PHE 29 2.173 -2.926 4.795 243 HZ PHE 29 HZ PHE 29 3.414 -1.171 5.968 244 H ASN 30 H ASN 30 -4.031 -1.695 9.537 245 HA ASN 30 HA ASN 30 -6.352 -2.629 7.999 246 HB2 ASN 30 1HB ASN 30 -6.000 -2.006 10.935 247 HB3 ASN 30 2HB ASN 30 -7.568 -2.337 10.206 248 HD21 ASN 30 2HD2 ASN 30 -8.023 -4.422 9.469 249 HD22 ASN 30 1HD2 ASN 30 -7.099 -5.789 9.986 250 H GLY 31 H GLY 31 -4.666 0.151 8.802 251 HA2 GLY 31 1HA GLY 31 -7.016 1.816 8.155 252 HA3 GLY 31 2HA GLY 31 -5.647 2.377 9.107 253 H VAL 32 H VAL 32 -6.969 3.066 6.381 254 HA VAL 32 HA VAL 32 -5.002 2.515 4.399 255 HB VAL 32 HB VAL 32 -7.070 4.718 4.364 256 HG11 VAL 32 1HG1 VAL 32 -5.373 4.976 2.655 257 HG12 VAL 32 2HG1 VAL 32 -6.901 4.489 1.922 258 HG13 VAL 32 3HG1 VAL 32 -5.610 3.308 2.136 259 HG21 VAL 32 3HG2 VAL 32 -7.315 1.858 3.435 260 HG22 VAL 32 1HG2 VAL 32 -8.510 3.129 3.170 261 HG23 VAL 32 2HG2 VAL 32 -8.148 2.587 4.809 262 H TYR 33 H TYR 33 -5.571 5.159 6.622 263 HA TYR 33 HA TYR 33 -3.804 7.027 5.446 264 HB2 TYR 33 1HB TYR 33 -5.562 7.686 7.023 265 HB3 TYR 33 2HB TYR 33 -4.769 6.778 8.304 266 HD1 TYR 33 HD2 TYR 33 -4.284 9.658 5.998 267 HD2 TYR 33 HD1 TYR 33 -3.165 7.793 9.653 268 HE1 TYR 33 HE2 TYR 33 -3.000 11.661 6.620 269 HE2 TYR 33 HE1 TYR 33 -1.881 9.787 10.286 270 HH TYR 33 HH TYR 33 -0.812 11.678 9.264 271 H GLU 34 H GLU 34 -3.415 4.510 7.869 272 HA GLU 34 HA GLU 34 -0.775 5.079 8.644 273 HB2 GLU 34 1HB GLU 34 -2.327 2.489 8.574 274 HB3 GLU 34 2HB GLU 34 -0.731 2.640 9.299 275 HG2 GLU 34 1HG GLU 34 -1.490 3.892 11.055 276 HG3 GLU 34 2HG GLU 34 -2.871 4.516 10.155 277 H ALA 35 H ALA 35 -2.073 3.102 6.018 278 HA ALA 35 HA ALA 35 0.474 2.201 5.094 279 HB1 ALA 35 3HB ALA 35 -0.736 1.408 3.130 280 HB2 ALA 35 1HB ALA 35 -2.164 2.310 3.637 281 HB3 ALA 35 2HB ALA 35 -1.577 0.965 4.615 282 H PHE 36 H PHE 36 -1.624 4.903 4.341 283 HA PHE 36 HA PHE 36 -0.393 5.885 2.048 284 HB2 PHE 36 1HB PHE 36 -2.523 6.738 2.943 285 HB3 PHE 36 2HB PHE 36 -1.671 7.444 4.309 286 HD1 PHE 36 HD1 PHE 36 -2.056 7.616 0.632 287 HD2 PHE 36 HD2 PHE 36 -0.705 9.579 4.160 288 HE1 PHE 36 HE1 PHE 36 -1.758 9.701 -0.642 289 HE2 PHE 36 HE2 PHE 36 -0.404 11.662 2.889 290 HZ PHE 36 HZ PHE 36 -0.933 11.726 0.486 291 H ASP 37 H ASP 37 0.249 6.754 5.447 292 HA ASP 37 HA ASP 37 2.475 8.397 4.952 293 HB2 ASP 37 1HB ASP 37 1.543 6.852 7.351 294 HB3 ASP 37 2HB ASP 37 3.099 7.672 7.377 295 H PHE 38 H PHE 38 2.203 4.939 5.535 296 HA PHE 38 HA PHE 38 4.904 4.290 5.772 297 HB2 PHE 38 1HB PHE 38 3.136 2.713 6.311 298 HB3 PHE 38 2HB PHE 38 2.609 2.681 4.634 299 HD1 PHE 38 HD1 PHE 38 5.580 1.950 6.757 300 HD2 PHE 38 HD2 PHE 38 3.378 1.022 3.233 301 HE1 PHE 38 HE1 PHE 38 7.062 0.032 6.335 302 HE2 PHE 38 HE2 PHE 38 4.859 -0.890 2.807 303 HZ PHE 38 HZ PHE 38 6.698 -1.390 4.357 304 H LEU 39 H LEU 39 2.855 4.466 2.878 305 HA LEU 39 HA LEU 39 4.796 3.608 1.034 306 HB2 LEU 39 1HB LEU 39 2.422 5.422 0.621 307 HB3 LEU 39 2HB LEU 39 3.356 4.692 -0.669 308 HG LEU 39 HG LEU 39 1.722 3.193 1.380 309 HD11 LEU 39 1HD1 LEU 39 1.248 3.697 -1.553 310 HD12 LEU 39 2HD1 LEU 39 0.339 4.399 -0.214 311 HD13 LEU 39 3HD1 LEU 39 0.270 2.663 -0.512 312 HD21 LEU 39 3HD2 LEU 39 3.267 2.210 -1.016 313 HD22 LEU 39 1HD2 LEU 39 2.196 1.231 -0.013 314 HD23 LEU 39 2HD2 LEU 39 3.668 1.915 0.675 315 H GLN 40 H GLN 40 4.063 6.789 2.341 316 HA GLN 40 HA GLN 40 5.767 8.158 0.473 317 HB2 GLN 40 1HB GLN 40 4.351 9.041 2.979 318 HB3 GLN 40 2HB GLN 40 5.404 10.110 2.066 319 HG2 GLN 40 1HG GLN 40 3.971 9.826 0.101 320 HG3 GLN 40 2HG GLN 40 2.905 8.782 1.041 321 HE21 GLN 40 2HE2 GLN 40 2.452 11.389 -0.286 322 HE22 GLN 40 1HE2 GLN 40 1.827 12.421 0.955 323 H HIS 41 H HIS 41 6.074 6.960 3.760 324 HA HIS 41 HA HIS 41 8.391 8.405 4.444 325 HB2 HIS 41 1HB HIS 41 7.271 5.804 5.475 326 HB3 HIS 41 2HB HIS 41 8.750 6.510 6.119 327 HD1 HIS 41 HD1 HIS 41 6.555 6.199 8.088 328 HD2 HIS 41 HD2 HIS 41 6.886 9.564 5.659 329 HE1 HIS 41 HE1 HIS 41 5.274 8.024 9.266 330 HE2 HIS 41 HE2 HIS 41 5.415 10.029 7.736 331 H GLU 42 H GLU 42 8.240 4.910 3.709 332 HA GLU 42 HA GLU 42 10.311 5.138 1.784 333 HB2 GLU 42 1HB GLU 42 11.731 5.385 3.731 334 HB3 GLU 42 2HB GLU 42 11.058 3.925 4.446 335 HG2 GLU 42 1HG GLU 42 12.209 2.536 3.044 336 HG3 GLU 42 2HG GLU 42 12.320 3.741 1.762 337 H TRP 43 H TRP 43 8.682 4.047 0.620 338 HA TRP 43 HA TRP 43 8.477 1.191 1.092 339 HB2 TRP 43 1HB TRP 43 6.644 2.433 -0.036 340 HB3 TRP 43 2HB TRP 43 7.745 2.850 -1.343 341 HD1 TRP 43 HD1 TRP 43 8.211 1.019 -3.183 342 HE1 TRP 43 HE1 TRP 43 7.121 -1.246 -3.730 343 HE3 TRP 43 HE3 TRP 43 5.527 0.344 1.119 344 HZ2 TRP 43 HZ2 TRP 43 5.357 -3.071 -2.506 345 HZ3 TRP 43 HZ3 TRP 43 4.163 -1.690 1.346 346 HH2 TRP 43 HH2 TRP 43 4.080 -3.362 -0.430 347 HA PRO 44 HA PRO 44 12.472 0.365 -0.638 348 HB2 PRO 44 1HB PRO 44 12.141 -2.254 -1.323 349 HB3 PRO 44 2HB PRO 44 12.376 -1.697 0.337 350 HG2 PRO 44 1HG PRO 44 9.839 -2.404 -1.084 351 HG3 PRO 44 2HG PRO 44 10.351 -2.820 0.562 352 HD2 PRO 44 1HD PRO 44 8.615 -0.821 0.072 353 HD3 PRO 44 2HD PRO 44 9.794 -0.736 1.397 354 H ALA 45 H ALA 45 9.994 1.025 -2.510 355 HA ALA 45 HA ALA 45 11.528 0.994 -4.913 356 HB1 ALA 45 3HB ALA 45 10.679 -1.302 -5.012 357 HB2 ALA 45 1HB ALA 45 9.974 -0.309 -6.287 358 HB3 ALA 45 2HB ALA 45 9.027 -0.704 -4.851 359 H ARG 46 H ARG 46 11.047 3.227 -4.160 360 HA ARG 46 HA ARG 46 8.307 4.076 -4.813 361 HB2 ARG 46 1HB ARG 46 8.763 6.082 -3.512 362 HB3 ARG 46 2HB ARG 46 9.076 4.645 -2.554 363 HG2 ARG 46 1HG ARG 46 11.524 4.952 -3.206 364 HG3 ARG 46 2HG ARG 46 11.046 6.565 -3.741 365 HD2 ARG 46 1HD ARG 46 10.054 6.911 -1.458 366 HD3 ARG 46 2HD ARG 46 10.815 5.397 -0.977 367 HE ARG 46 HE ARG 46 12.282 7.808 -1.845 368 HH11 ARG 46 1HH1 ARG 46 12.129 4.815 -0.031 369 HH12 ARG 46 2HH1 ARG 46 13.576 5.138 0.873 370 HH21 ARG 46 1HH2 ARG 46 14.183 8.227 -0.697 371 HH22 ARG 46 2HH2 ARG 46 14.747 7.092 0.494 372 H GLY 47 H GLY 47 7.903 5.598 -6.348 373 HA2 GLY 47 1HA GLY 47 8.889 7.405 -7.770 374 HA3 GLY 47 2HA GLY 47 10.213 6.283 -8.063 375 H ASP 48 H ASP 48 8.019 4.137 -7.965 376 HA ASP 48 HA ASP 48 7.614 4.102 -10.825 377 HB2 ASP 48 1HB ASP 48 8.418 2.063 -9.960 378 HB3 ASP 48 2HB ASP 48 7.301 2.100 -8.601 379 H ARG 49 H ARG 49 5.591 3.886 -11.824 380 HA ARG 49 HA ARG 49 3.629 5.565 -10.629 381 HB2 ARG 49 1HB ARG 49 3.667 4.038 -13.223 382 HB3 ARG 49 2HB ARG 49 2.342 5.087 -12.738 383 HG2 ARG 49 1HG ARG 49 3.885 6.983 -12.631 384 HG3 ARG 49 2HG ARG 49 5.204 5.926 -13.139 385 HD2 ARG 49 1HD ARG 49 4.061 5.478 -15.236 386 HD3 ARG 49 2HD ARG 49 2.704 6.481 -14.728 387 HE ARG 49 HE ARG 49 4.730 8.219 -14.574 388 HH11 ARG 49 1HH1 ARG 49 3.900 5.905 -17.067 389 HH12 ARG 49 2HH1 ARG 49 4.455 6.924 -18.368 390 HH21 ARG 49 1HH2 ARG 49 5.488 9.538 -16.283 391 HH22 ARG 49 2HH2 ARG 49 5.359 8.972 -17.922 392 H ALA 50 H ALA 50 4.083 2.169 -10.531 393 HA ALA 50 HA ALA 50 1.245 1.586 -10.223 394 HB1 ALA 50 3HB ALA 50 3.638 -0.191 -9.738 395 HB2 ALA 50 1HB ALA 50 2.704 -0.104 -11.232 396 HB3 ALA 50 2HB ALA 50 1.952 -0.706 -9.755 397 H HIS 51 H HIS 51 4.142 1.800 -8.246 398 HA HIS 51 HA HIS 51 2.975 1.429 -5.728 399 HB2 HIS 51 1HB HIS 51 5.370 1.499 -5.908 400 HB3 HIS 51 2HB HIS 51 5.329 3.114 -6.606 401 HD1 HIS 51 HD1 HIS 51 5.702 4.986 -5.020 402 HD2 HIS 51 HD2 HIS 51 4.443 1.517 -3.088 403 HE1 HIS 51 HE1 HIS 51 5.800 5.501 -2.559 404 HE2 HIS 51 HE2 HIS 51 5.171 3.349 -1.415 405 H GLU 52 H GLU 52 3.134 4.222 -7.845 406 HA GLU 52 HA GLU 52 2.075 6.029 -5.889 407 HB2 GLU 52 1HB GLU 52 3.583 6.645 -7.844 408 HB3 GLU 52 2HB GLU 52 2.159 6.478 -8.866 409 HG2 GLU 52 1HG GLU 52 1.025 8.215 -7.627 410 HG3 GLU 52 2HG GLU 52 2.388 8.343 -6.515 411 H GLN 53 H GLN 53 0.778 4.072 -8.507 412 HA GLN 53 HA GLN 53 -1.815 5.041 -8.650 413 HB2 GLN 53 1HB GLN 53 -1.089 3.316 -10.166 414 HB3 GLN 53 2HB GLN 53 -0.786 2.203 -8.840 415 HG2 GLN 53 1HG GLN 53 -2.795 1.535 -9.931 416 HG3 GLN 53 2HG GLN 53 -3.223 2.198 -8.357 417 HE21 GLN 53 2HE2 GLN 53 -4.308 4.180 -8.254 418 HE22 GLN 53 1HE2 GLN 53 -5.113 4.850 -9.634 419 H ALA 54 H ALA 54 -0.471 2.631 -6.416 420 HA ALA 54 HA ALA 54 -2.825 2.280 -4.893 421 HB1 ALA 54 3HB ALA 54 -1.362 1.279 -3.208 422 HB2 ALA 54 1HB ALA 54 0.050 1.913 -4.054 423 HB3 ALA 54 2HB ALA 54 -0.966 0.695 -4.825 424 H LEU 55 H LEU 55 -0.029 4.412 -4.507 425 HA LEU 55 HA LEU 55 -0.699 5.546 -2.041 426 HB2 LEU 55 1HB LEU 55 1.497 5.760 -3.100 427 HB3 LEU 55 2HB LEU 55 0.803 6.760 -4.360 428 HG LEU 55 HG LEU 55 0.247 8.472 -2.643 429 HD11 LEU 55 1HD1 LEU 55 1.277 8.312 -0.437 430 HD12 LEU 55 2HD1 LEU 55 1.849 6.686 -0.817 431 HD13 LEU 55 3HD1 LEU 55 0.118 7.009 -0.699 432 HD21 LEU 55 3HD2 LEU 55 3.148 7.665 -2.798 433 HD22 LEU 55 1HD2 LEU 55 2.544 9.255 -2.330 434 HD23 LEU 55 2HD2 LEU 55 2.278 8.657 -3.968 435 H ARG 56 H ARG 56 -1.471 6.616 -5.335 436 HA ARG 56 HA ARG 56 -2.835 8.970 -4.642 437 HB2 ARG 56 1HB ARG 56 -3.105 7.152 -7.039 438 HB3 ARG 56 2HB ARG 56 -3.937 8.695 -6.901 439 HG2 ARG 56 1HG ARG 56 -1.800 9.853 -6.776 440 HG3 ARG 56 2HG ARG 56 -0.949 8.309 -6.860 441 HD2 ARG 56 1HD ARG 56 -1.962 7.901 -9.070 442 HD3 ARG 56 2HD ARG 56 -2.739 9.481 -8.988 443 HE ARG 56 HE ARG 56 0.105 9.630 -8.650 444 HH11 ARG 56 1HH1 ARG 56 -2.447 9.396 -11.030 445 HH12 ARG 56 2HH1 ARG 56 -1.518 10.150 -12.289 446 HH21 ARG 56 1HH2 ARG 56 1.346 10.571 -10.292 447 HH22 ARG 56 2HH2 ARG 56 0.663 10.793 -11.878 448 H LEU 57 H LEU 57 -3.954 5.642 -5.020 449 HA LEU 57 HA LEU 57 -6.703 6.236 -4.633 450 HB2 LEU 57 1HB LEU 57 -5.156 3.674 -4.330 451 HB3 LEU 57 2HB LEU 57 -6.895 3.781 -4.145 452 HG LEU 57 HG LEU 57 -5.354 4.414 -6.661 453 HD11 LEU 57 1HD1 LEU 57 -5.412 2.036 -6.115 454 HD12 LEU 57 2HD1 LEU 57 -6.395 2.399 -7.535 455 HD13 LEU 57 3HD1 LEU 57 -7.169 2.110 -5.976 456 HD21 LEU 57 3HD2 LEU 57 -8.323 4.378 -6.123 457 HD22 LEU 57 1HD2 LEU 57 -7.568 4.582 -7.704 458 HD23 LEU 57 2HD2 LEU 57 -7.342 5.805 -6.454 459 H CYS 58 H CYS 58 -4.066 5.363 -2.450 460 HA CYS 58 HA CYS 58 -5.587 5.003 -0.124 461 HB2 CYS 58 1HB CYS 58 -2.784 6.106 -0.425 462 HB3 CYS 58 2HB CYS 58 -3.501 5.599 1.101 463 HG CYS 58 HG CYS 58 -2.868 3.557 -1.574 464 H ARG 59 H ARG 59 -4.180 7.918 -1.552 465 HA ARG 59 HA ARG 59 -5.046 9.747 0.407 466 HB2 ARG 59 1HB ARG 59 -3.380 10.215 -1.413 467 HB3 ARG 59 2HB ARG 59 -4.716 10.270 -2.555 468 HG2 ARG 59 1HG ARG 59 -5.686 12.148 -1.265 469 HG3 ARG 59 2HG ARG 59 -4.257 12.125 -0.227 470 HD2 ARG 59 1HD ARG 59 -2.869 12.460 -2.281 471 HD3 ARG 59 2HD ARG 59 -4.366 12.693 -3.181 472 HE ARG 59 HE ARG 59 -3.810 14.414 -0.870 473 HH11 ARG 59 1HH1 ARG 59 -4.283 14.038 -4.323 474 HH12 ARG 59 2HH1 ARG 59 -4.273 15.747 -4.637 475 HH21 ARG 59 1HH2 ARG 59 -3.807 16.650 -1.282 476 HH22 ARG 59 2HH2 ARG 59 -3.982 17.227 -2.912 477 H ALA 60 H ALA 60 -6.536 8.620 -2.600 478 HA ALA 60 HA ALA 60 -8.847 10.236 -2.425 479 HB1 ALA 60 3HB ALA 60 -8.094 9.236 -4.518 480 HB2 ALA 60 1HB ALA 60 -9.762 8.790 -4.160 481 HB3 ALA 60 2HB ALA 60 -8.461 7.630 -3.888 482 H SER 61 H SER 61 -8.017 7.142 -1.032 483 HA SER 61 HA SER 61 -10.645 6.404 -0.249 484 HB2 SER 61 1HB SER 61 -7.987 5.639 0.988 485 HB3 SER 61 2HB SER 61 -9.528 4.832 1.282 486 HG SER 61 HG SER 61 -8.116 5.000 -1.180 487 H LEU 62 H LEU 62 -8.081 8.313 1.221 488 HA LEU 62 HA LEU 62 -9.354 8.719 3.728 489 HB2 LEU 62 1HB LEU 62 -7.406 10.577 2.362 490 HB3 LEU 62 2HB LEU 62 -7.719 10.447 4.082 491 HG LEU 62 HG LEU 62 -6.364 8.368 2.361 492 HD11 LEU 62 1HD1 LEU 62 -4.972 10.312 2.786 493 HD12 LEU 62 2HD1 LEU 62 -4.386 8.912 3.687 494 HD13 LEU 62 3HD1 LEU 62 -5.291 10.178 4.516 495 HD21 LEU 62 3HD2 LEU 62 -6.907 8.368 5.327 496 HD22 LEU 62 1HD2 LEU 62 -5.955 7.172 4.449 497 HD23 LEU 62 2HD2 LEU 62 -7.683 7.329 4.133 498 H MET 63 H MET 63 -9.785 9.994 0.598 499 HA MET 63 HA MET 63 -11.283 12.332 1.450 500 HB2 MET 63 1HB MET 63 -10.809 11.159 -1.298 501 HB3 MET 63 2HB MET 63 -11.590 12.701 -0.975 502 HG2 MET 63 1HG MET 63 -9.592 13.668 -0.203 503 HG3 MET 63 2HG MET 63 -8.789 12.103 -0.082 504 HE1 MET 63 3HE MET 63 -10.226 14.824 -2.543 505 HE2 MET 63 1HE MET 63 -11.081 13.360 -3.026 506 HE3 MET 63 2HE MET 63 -9.890 14.085 -4.108 507 H GLY 64 H GLY 64 -11.898 9.121 1.320 508 HA2 GLY 64 1HA GLY 64 -13.850 7.915 1.478 509 HA3 GLY 64 2HA GLY 64 -14.727 9.437 1.467 510 H ASP 65 H ASP 65 -12.552 8.846 -1.131 511 HA ASP 65 HA ASP 65 -14.848 8.729 -2.941 512 HB2 ASP 65 1HB ASP 65 -13.055 10.448 -3.261 513 HB3 ASP 65 2HB ASP 65 -11.929 9.141 -3.617 514 H VAL 66 H VAL 66 -12.028 6.911 -1.971 515 HA VAL 66 HA VAL 66 -12.842 4.722 -3.762 516 HB VAL 66 HB VAL 66 -10.145 5.206 -2.472 517 HG11 VAL 66 1HG1 VAL 66 -10.655 2.821 -2.695 518 HG12 VAL 66 2HG1 VAL 66 -9.369 3.314 -3.797 519 HG13 VAL 66 3HG1 VAL 66 -11.004 3.061 -4.407 520 HG21 VAL 66 3HG2 VAL 66 -11.020 5.400 -5.353 521 HG22 VAL 66 1HG2 VAL 66 -9.368 5.588 -4.764 522 HG23 VAL 66 2HG2 VAL 66 -10.608 6.752 -4.297 523 H ALA 67 H ALA 67 -14.055 3.284 -2.731 524 HA ALA 67 HA ALA 67 -13.937 3.095 0.151 525 HB1 ALA 67 3HB ALA 67 -16.095 3.184 -0.997 526 HB2 ALA 67 1HB ALA 67 -15.921 1.714 -0.036 527 HB3 ALA 67 2HB ALA 67 -15.732 1.650 -1.790 528 H GLY 68 H GLY 68 -11.878 2.130 0.425 529 HA2 GLY 68 1HA GLY 68 -10.743 0.342 1.273 530 HA3 GLY 68 2HA GLY 68 -12.267 -0.516 1.233 531 H GLU 69 H GLU 69 -12.752 -1.855 -0.545 532 HA GLU 69 HA GLU 69 -10.562 -3.463 -1.170 533 HB2 GLU 69 1HB GLU 69 -12.904 -4.235 -0.983 534 HB3 GLU 69 2HB GLU 69 -13.256 -3.462 -2.523 535 HG2 GLU 69 1HG GLU 69 -11.682 -4.923 -3.644 536 HG3 GLU 69 2HG GLU 69 -11.257 -5.671 -2.106 537 H ILE 70 H ILE 70 -12.014 -0.882 -3.050 538 HA ILE 70 HA ILE 70 -10.895 -1.513 -5.550 539 HB ILE 70 HB ILE 70 -11.373 1.251 -4.421 540 HG12 ILE 70 1HG1 ILE 70 -13.214 -0.530 -6.031 541 HG13 ILE 70 2HG1 ILE 70 -13.378 -0.189 -4.312 542 HG21 ILE 70 1HG2 ILE 70 -11.583 1.920 -6.777 543 HG22 ILE 70 2HG2 ILE 70 -11.153 0.282 -7.270 544 HG23 ILE 70 3HG2 ILE 70 -9.980 1.283 -6.415 545 HD11 ILE 70 3HD1 ILE 70 -13.738 2.172 -4.823 546 HD12 ILE 70 1HD1 ILE 70 -14.928 1.138 -5.612 547 HD13 ILE 70 2HD1 ILE 70 -13.595 1.817 -6.545 548 H ALA 71 H ALA 71 -9.666 0.596 -2.962 549 HA ALA 71 HA ALA 71 -7.135 1.078 -4.105 550 HB1 ALA 71 3HB ALA 71 -7.938 1.094 -1.195 551 HB2 ALA 71 1HB ALA 71 -8.037 2.460 -2.305 552 HB3 ALA 71 2HB ALA 71 -6.465 1.798 -1.861 553 H ARG 72 H ARG 72 -8.369 -1.437 -1.975 554 HA ARG 72 HA ARG 72 -6.023 -2.782 -1.332 555 HB2 ARG 72 1HB ARG 72 -8.041 -3.473 -0.283 556 HB3 ARG 72 2HB ARG 72 -8.829 -3.770 -1.826 557 HG2 ARG 72 1HG ARG 72 -6.979 -5.558 -2.143 558 HG3 ARG 72 2HG ARG 72 -6.798 -5.423 -0.392 559 HD2 ARG 72 1HD ARG 72 -9.078 -6.045 -0.038 560 HD3 ARG 72 2HD ARG 72 -9.426 -5.952 -1.765 561 HE ARG 72 HE ARG 72 -7.474 -7.910 -0.744 562 HH11 ARG 72 1HH1 ARG 72 -10.500 -7.209 -2.376 563 HH12 ARG 72 2HH1 ARG 72 -10.694 -8.821 -2.981 564 HH21 ARG 72 1HH2 ARG 72 -7.716 -9.997 -1.527 565 HH22 ARG 72 2HH2 ARG 72 -9.101 -10.424 -2.495 566 H THR 73 H THR 73 -8.164 -3.265 -4.121 567 HA THR 73 HA THR 73 -6.853 -5.380 -5.338 568 HB THR 73 HB THR 73 -8.237 -3.124 -6.806 569 HG1 THR 73 HG1 THR 73 -9.579 -3.948 -5.121 570 HG21 THR 73 3HG2 THR 73 -8.812 -4.870 -8.422 571 HG22 THR 73 1HG2 THR 73 -7.920 -6.056 -7.467 572 HG23 THR 73 2HG2 THR 73 -7.062 -4.724 -8.245 573 H ALA 74 H ALA 74 -6.348 -1.886 -5.806 574 HA ALA 74 HA ALA 74 -4.234 -2.298 -7.706 575 HB1 ALA 74 3HB ALA 74 -5.641 -0.308 -7.776 576 HB2 ALA 74 1HB ALA 74 -3.934 0.105 -7.615 577 HB3 ALA 74 2HB ALA 74 -4.999 0.197 -6.213 578 H PHE 75 H PHE 75 -4.406 -1.812 -4.231 579 HA PHE 75 HA PHE 75 -1.703 -1.131 -3.815 580 HB2 PHE 75 1HB PHE 75 -3.618 -0.954 -2.137 581 HB3 PHE 75 2HB PHE 75 -3.420 -2.680 -1.868 582 HD1 PHE 75 HD2 PHE 75 -1.952 0.628 -1.389 583 HD2 PHE 75 HD1 PHE 75 -1.495 -3.542 -0.667 584 HE1 PHE 75 HE2 PHE 75 -0.201 1.110 0.266 585 HE2 PHE 75 HE1 PHE 75 0.262 -3.064 0.998 586 HZ PHE 75 HZ PHE 75 0.908 -0.733 1.457 587 H VAL 76 H VAL 76 -3.411 -4.228 -3.865 588 HA VAL 76 HA VAL 76 -1.186 -5.873 -3.319 589 HB VAL 76 HB VAL 76 -3.678 -6.517 -4.914 590 HG11 VAL 76 1HG1 VAL 76 -3.186 -8.859 -4.391 591 HG12 VAL 76 2HG1 VAL 76 -1.677 -8.368 -3.620 592 HG13 VAL 76 3HG1 VAL 76 -1.900 -8.127 -5.353 593 HG21 VAL 76 3HG2 VAL 76 -4.198 -5.773 -2.659 594 HG22 VAL 76 1HG2 VAL 76 -3.047 -6.930 -1.992 595 HG23 VAL 76 2HG2 VAL 76 -4.496 -7.504 -2.818 596 H ALA 77 H ALA 77 -2.538 -4.598 -6.328 597 HA ALA 77 HA ALA 77 -0.871 -5.905 -8.148 598 HB1 ALA 77 3HB ALA 77 -2.812 -4.587 -8.820 599 HB2 ALA 77 1HB ALA 77 -1.360 -4.071 -9.678 600 HB3 ALA 77 2HB ALA 77 -1.980 -3.107 -8.338 601 H ALA 78 H ALA 78 -0.370 -2.877 -6.368 602 HA ALA 78 HA ALA 78 2.159 -2.282 -7.503 603 HB1 ALA 78 3HB ALA 78 0.780 -0.593 -6.395 604 HB2 ALA 78 1HB ALA 78 2.388 -0.679 -5.681 605 HB3 ALA 78 2HB ALA 78 1.015 -1.411 -4.850 606 H SER 79 H SER 79 1.144 -4.082 -4.651 607 HA SER 79 HA SER 79 3.737 -4.406 -3.543 608 HB2 SER 79 1HB SER 79 1.260 -6.095 -3.119 609 HB3 SER 79 2HB SER 79 2.682 -6.053 -2.075 610 HG SER 79 HG SER 79 0.843 -3.949 -2.584 611 H ARG 80 H ARG 80 2.055 -5.974 -6.104 612 HA ARG 80 HA ARG 80 3.298 -8.477 -6.164 613 HB2 ARG 80 1HB ARG 80 1.439 -7.982 -7.633 614 HB3 ARG 80 2HB ARG 80 2.357 -6.715 -8.435 615 HG2 ARG 80 1HG ARG 80 3.973 -8.510 -9.161 616 HG3 ARG 80 2HG ARG 80 2.796 -9.684 -8.573 617 HD2 ARG 80 1HD ARG 80 1.141 -8.879 -10.125 618 HD3 ARG 80 2HD ARG 80 2.202 -7.564 -10.634 619 HE ARG 80 HE ARG 80 3.073 -10.338 -11.020 620 HH11 ARG 80 1HH1 ARG 80 1.989 -7.297 -12.402 621 HH12 ARG 80 2HH1 ARG 80 2.548 -7.689 -14.002 622 HH21 ARG 80 1HH2 ARG 80 3.809 -10.839 -13.130 623 HH22 ARG 80 2HH2 ARG 80 3.567 -9.693 -14.412 624 H GLN 81 H GLN 81 4.402 -5.324 -7.225 625 HA GLN 81 HA GLN 81 6.651 -6.275 -8.694 626 HB2 GLN 81 1HB GLN 81 6.080 -3.536 -7.553 627 HB3 GLN 81 2HB GLN 81 7.339 -3.909 -8.725 628 HG2 GLN 81 1HG GLN 81 5.641 -4.616 -10.329 629 HG3 GLN 81 2HG GLN 81 4.380 -4.246 -9.157 630 HE21 GLN 81 2HE2 GLN 81 5.770 -1.855 -8.202 631 HE22 GLN 81 1HE2 GLN 81 5.547 -0.651 -9.430 632 H ALA 82 H ALA 82 6.034 -5.852 -5.370 633 HA ALA 82 HA ALA 82 8.843 -5.669 -4.642 634 HB1 ALA 82 3HB ALA 82 8.033 -5.660 -2.334 635 HB2 ALA 82 1HB ALA 82 6.393 -5.967 -2.905 636 HB3 ALA 82 2HB ALA 82 7.197 -4.449 -3.307 637 H HIS 83 H HIS 83 6.767 -8.032 -5.630 638 HA HIS 83 HA HIS 83 6.828 -10.292 -5.703 639 HB2 HIS 83 1HB HIS 83 9.652 -9.876 -4.710 640 HB3 HIS 83 2HB HIS 83 9.012 -11.415 -5.280 641 HD1 HIS 83 HD1 HIS 83 10.636 -8.371 -6.422 642 HD2 HIS 83 HD2 HIS 83 8.252 -11.338 -8.105 643 HE1 HIS 83 HE1 HIS 83 10.916 -8.140 -8.911 644 HE2 HIS 83 HE2 HIS 83 9.610 -10.056 -9.900 645 H CYS 84 H CYS 84 5.961 -8.918 -3.252 646 HA CYS 84 HA CYS 84 6.057 -11.245 -1.506 647 HB2 CYS 84 1HB CYS 84 7.789 -9.549 -0.755 648 HB3 CYS 84 2HB CYS 84 6.456 -8.449 -0.424 649 HG CYS 84 HG CYS 84 7.071 -9.352 2.046 650 H LEU 85 H LEU 85 3.965 -11.637 -2.197 651 HA LEU 85 HA LEU 85 1.935 -9.629 -1.576 652 HB2 LEU 85 1HB LEU 85 1.783 -12.238 -3.078 653 HB3 LEU 85 2HB LEU 85 0.390 -11.230 -2.728 654 HG LEU 85 HG LEU 85 2.767 -10.410 -4.393 655 HD11 LEU 85 1HD1 LEU 85 1.365 -12.081 -5.493 656 HD12 LEU 85 2HD1 LEU 85 1.207 -10.505 -6.267 657 HD13 LEU 85 3HD1 LEU 85 -0.061 -11.089 -5.187 658 HD21 LEU 85 3HD2 LEU 85 1.429 -8.437 -4.929 659 HD22 LEU 85 1HD2 LEU 85 1.777 -8.529 -3.203 660 HD23 LEU 85 2HD2 LEU 85 0.181 -8.976 -3.806 661 H MET 86 H MET 86 0.851 -9.706 0.204 662 HA MET 86 HA MET 86 0.069 -12.158 1.473 663 HB2 MET 86 1HB MET 86 2.362 -11.975 2.311 664 HB3 MET 86 2HB MET 86 2.060 -10.329 2.841 665 HG2 MET 86 1HG MET 86 0.523 -11.096 4.521 666 HG3 MET 86 2HG MET 86 0.643 -12.751 3.929 667 HE1 MET 86 3HE MET 86 4.328 -13.683 4.843 668 HE2 MET 86 1HE MET 86 3.728 -13.044 3.314 669 HE3 MET 86 2HE MET 86 2.801 -14.266 4.184 670 H GLU 87 H GLU 87 -2.027 -11.467 1.393 671 HA GLU 87 HA GLU 87 -2.730 -8.878 2.511 672 HB2 GLU 87 1HB GLU 87 -4.476 -11.113 1.462 673 HB3 GLU 87 2HB GLU 87 -5.044 -9.521 1.944 674 HG2 GLU 87 1HG GLU 87 -3.680 -8.515 0.170 675 HG3 GLU 87 2HG GLU 87 -3.169 -10.129 -0.327 676 H ASP 88 H ASP 88 -3.987 -12.124 3.035 677 HA ASP 88 HA ASP 88 -4.129 -11.671 5.902 678 HB2 ASP 88 1HB ASP 88 -5.185 -13.922 5.946 679 HB3 ASP 88 2HB ASP 88 -6.018 -12.817 4.857 680 H LYS 89 H LYS 89 -3.055 -13.116 7.376 681 HA LYS 89 HA LYS 89 -0.346 -13.605 6.601 682 HB2 LYS 89 1HB LYS 89 -1.904 -14.019 9.131 683 HB3 LYS 89 2HB LYS 89 -0.271 -14.642 8.966 684 HG2 LYS 89 1HG LYS 89 0.533 -12.359 8.539 685 HG3 LYS 89 2HG LYS 89 -1.114 -11.761 8.783 686 HD2 LYS 89 1HD LYS 89 -1.137 -12.478 11.039 687 HD3 LYS 89 2HD LYS 89 0.342 -13.412 10.830 688 HE2 LYS 89 1HE LYS 89 1.580 -11.314 10.465 689 HE3 LYS 89 2HE LYS 89 0.089 -10.412 10.755 690 HZ1 LYS 89 3HZ LYS 89 1.355 -12.256 12.709 691 HZ2 LYS 89 1HZ LYS 89 -0.011 -11.288 12.975 692 HZ3 LYS 89 2HZ LYS 89 1.509 -10.565 12.739 693 H ALA 90 H ALA 90 0.765 -15.655 6.998 694 HA ALA 90 HA ALA 90 -0.758 -17.965 6.128 695 HB1 ALA 90 3HB ALA 90 1.516 -17.628 5.278 696 HB2 ALA 90 1HB ALA 90 1.391 -19.136 6.182 697 HB3 ALA 90 2HB ALA 90 2.148 -17.725 6.922 698 H GLU 91 H GLU 91 -0.074 -16.383 8.969 699 HA GLU 91 HA GLU 91 -0.224 -18.648 10.752 700 HB2 GLU 91 1HB GLU 91 -0.766 -15.805 11.567 701 HB3 GLU 91 2HB GLU 91 -0.043 -17.102 12.508 702 HG2 GLU 91 1HG GLU 91 1.954 -16.968 11.038 703 HG3 GLU 91 2HG GLU 91 1.230 -15.560 10.263 704 H ALA 92 H ALA 92 -2.136 -19.722 10.487 705 HA ALA 92 HA ALA 92 -4.591 -18.094 10.559 706 HB1 ALA 92 3HB ALA 92 -4.257 -19.198 8.399 707 HB2 ALA 92 1HB ALA 92 -5.683 -19.819 9.232 708 HB3 ALA 92 2HB ALA 92 -4.192 -20.763 9.212 709 HA PRO 93 HA PRO 93 -5.123 -20.506 14.378 710 HB2 PRO 93 1HB PRO 93 -7.079 -18.400 14.946 711 HB3 PRO 93 2HB PRO 93 -5.653 -18.876 15.872 712 HG2 PRO 93 1HG PRO 93 -5.776 -16.536 14.543 713 HG3 PRO 93 2HG PRO 93 -4.263 -17.446 14.720 714 HD2 PRO 93 1HD PRO 93 -6.121 -17.304 12.366 715 HD3 PRO 93 2HD PRO 93 -4.345 -17.248 12.400 716 H ASN 94 H ASN 94 -7.146 -19.443 11.853 717 HA ASN 94 HA ASN 94 -9.560 -20.733 12.732 718 HB2 ASN 94 1HB ASN 94 -8.834 -19.736 9.965 719 HB3 ASN 94 2HB ASN 94 -10.447 -20.142 10.542 720 HD21 ASN 94 2HD2 ASN 94 -9.323 -17.638 9.467 721 HD22 ASN 94 1HD2 ASN 94 -9.627 -16.434 10.683 722 H THR 95 H THR 95 -8.608 -22.804 13.166 723 HA THR 95 HA THR 95 -7.889 -24.356 10.787 724 HB THR 95 HB THR 95 -7.235 -26.053 12.693 725 HG1 THR 95 HG1 THR 95 -6.932 -23.562 14.048 726 HG21 THR 95 3HG2 THR 95 -5.661 -25.038 11.118 727 HG22 THR 95 1HG2 THR 95 -4.983 -25.077 12.745 728 HG23 THR 95 2HG2 THR 95 -5.624 -23.569 12.093 729 H ILE 96 H ILE 96 -9.127 -25.977 10.079 730 HA ILE 96 HA ILE 96 -11.698 -26.401 11.376 731 HB ILE 96 HB ILE 96 -10.622 -27.613 8.819 732 HG12 ILE 96 1HG1 ILE 96 -12.476 -25.251 9.201 733 HG13 ILE 96 2HG1 ILE 96 -10.786 -25.143 8.719 734 HG21 ILE 96 1HG2 ILE 96 -12.978 -28.110 8.340 735 HG22 ILE 96 2HG2 ILE 96 -13.423 -27.481 9.925 736 HG23 ILE 96 3HG2 ILE 96 -12.416 -28.923 9.801 737 HD11 ILE 96 3HD1 ILE 96 -12.985 -26.474 7.157 738 HD12 ILE 96 1HD1 ILE 96 -11.293 -26.367 6.673 739 HD13 ILE 96 2HD1 ILE 96 -12.264 -24.903 6.815 740 H ALA 97 H ALA 97 -11.978 -27.964 12.825 741 HA ALA 97 HA ALA 97 -9.990 -30.068 13.065 742 HB1 ALA 97 3HB ALA 97 -10.752 -28.924 15.089 743 HB2 ALA 97 1HB ALA 97 -11.124 -30.647 15.144 744 HB3 ALA 97 2HB ALA 97 -12.397 -29.480 14.785 745 H SER 98 H SER 98 -10.406 -31.279 11.210 746 HA SER 98 HA SER 98 -12.983 -32.305 10.583 747 HB2 SER 98 1HB SER 98 -10.320 -33.446 9.715 748 HB3 SER 98 2HB SER 98 -11.873 -33.581 8.887 749 HG SER 98 HG SER 98 -11.620 -31.649 8.060 750 H GLY 99 H GLY 99 -13.926 -33.461 12.180 751 HA2 GLY 99 1HA GLY 99 -12.901 -36.088 12.707 752 HA3 GLY 99 2HA GLY 99 -12.829 -35.029 14.107 753 H SER 100 H SER 100 -14.532 -37.417 12.931 754 HA SER 100 HA SER 100 -16.767 -36.953 14.572 755 HB2 SER 100 1HB SER 100 -18.478 -37.062 12.634 756 HB3 SER 100 2HB SER 100 -17.718 -35.510 12.979 757 HG SER 100 HG SER 100 -16.252 -36.957 11.207 Start of MODEL 17 1 H1 MET 1 1H MET 1 -6.023 24.884 7.676 2 H2 MET 1 2H MET 1 -6.517 23.457 6.911 3 H3 MET 1 3H MET 1 -5.844 23.391 8.464 4 HA MET 1 HA MET 1 -8.236 23.122 8.556 5 HB2 MET 1 1HB MET 1 -7.307 25.807 9.608 6 HB3 MET 1 2HB MET 1 -8.710 24.914 10.178 7 HG2 MET 1 1HG MET 1 -7.287 23.140 11.001 8 HG3 MET 1 2HG MET 1 -5.864 23.954 10.353 9 HE1 MET 1 3HE MET 1 -5.067 26.375 11.191 10 HE2 MET 1 1HE MET 1 -5.783 27.221 12.563 11 HE3 MET 1 2HE MET 1 -6.695 27.041 11.063 12 H GLU 2 H GLU 2 -7.419 24.569 5.962 13 HA GLU 2 HA GLU 2 -9.989 25.902 5.546 14 HB2 GLU 2 1HB GLU 2 -7.328 27.025 4.624 15 HB3 GLU 2 2HB GLU 2 -8.909 27.717 4.298 16 HG2 GLU 2 1HG GLU 2 -8.430 29.024 6.047 17 HG3 GLU 2 2HG GLU 2 -8.950 27.635 7.000 18 H VAL 3 H VAL 3 -9.654 26.584 2.885 19 HA VAL 3 HA VAL 3 -9.746 24.076 1.552 20 HB VAL 3 HB VAL 3 -9.454 26.844 0.360 21 HG11 VAL 3 1HG1 VAL 3 -10.319 24.249 -0.915 22 HG12 VAL 3 2HG1 VAL 3 -8.820 25.121 -1.235 23 HG13 VAL 3 3HG1 VAL 3 -10.369 25.836 -1.684 24 HG21 VAL 3 3HG2 VAL 3 -11.450 26.645 1.735 25 HG22 VAL 3 1HG2 VAL 3 -11.913 25.177 0.877 26 HG23 VAL 3 2HG2 VAL 3 -11.880 26.721 0.026 27 H GLN 4 H GLN 4 -7.275 26.492 2.052 28 HA GLN 4 HA GLN 4 -5.287 25.647 0.318 29 HB2 GLN 4 1HB GLN 4 -5.190 27.670 1.739 30 HB3 GLN 4 2HB GLN 4 -4.956 26.654 3.153 31 HG2 GLN 4 1HG GLN 4 -2.836 25.869 2.259 32 HG3 GLN 4 2HG GLN 4 -3.080 26.839 0.805 33 HE21 GLN 4 2HE2 GLN 4 -1.218 28.030 1.142 34 HE22 GLN 4 1HE2 GLN 4 -1.109 29.234 2.382 35 H SER 5 H SER 5 -5.323 24.807 3.788 36 HA SER 5 HA SER 5 -4.233 22.163 3.075 37 HB2 SER 5 1HB SER 5 -4.050 23.552 5.761 38 HB3 SER 5 2HB SER 5 -3.169 22.115 5.235 39 HG SER 5 HG SER 5 -2.336 23.612 3.509 40 H MET 6 H MET 6 -5.772 20.656 3.115 41 HA MET 6 HA MET 6 -8.197 21.159 4.675 42 HB2 MET 6 1HB MET 6 -7.631 19.128 2.508 43 HB3 MET 6 2HB MET 6 -9.185 19.361 3.297 44 HG2 MET 6 1HG MET 6 -9.328 21.611 2.405 45 HG3 MET 6 2HG MET 6 -7.739 21.435 1.663 46 HE1 MET 6 3HE MET 6 -7.219 19.768 -0.347 47 HE2 MET 6 1HE MET 6 -8.414 18.664 -1.030 48 HE3 MET 6 2HE MET 6 -7.838 18.430 0.621 49 H LEU 7 H LEU 7 -9.263 19.197 5.646 50 HA LEU 7 HA LEU 7 -7.331 17.870 7.346 51 HB2 LEU 7 1HB LEU 7 -10.347 17.777 7.329 52 HB3 LEU 7 2HB LEU 7 -9.325 17.030 8.542 53 HG LEU 7 HG LEU 7 -9.551 19.995 8.010 54 HD11 LEU 7 1HD1 LEU 7 -10.622 20.073 10.204 55 HD12 LEU 7 2HD1 LEU 7 -10.535 18.315 10.312 56 HD13 LEU 7 3HD1 LEU 7 -11.537 19.075 9.075 57 HD21 LEU 7 3HD2 LEU 7 -8.184 20.236 10.035 58 HD22 LEU 7 1HD2 LEU 7 -7.312 19.408 8.744 59 HD23 LEU 7 2HD2 LEU 7 -7.976 18.486 10.093 60 H LEU 8 H LEU 8 -6.920 15.710 7.407 61 HA LEU 8 HA LEU 8 -7.757 14.192 5.059 62 HB2 LEU 8 1HB LEU 8 -5.667 13.586 7.157 63 HB3 LEU 8 2HB LEU 8 -5.975 12.622 5.725 64 HG LEU 8 HG LEU 8 -5.010 15.484 5.703 65 HD11 LEU 8 1HD1 LEU 8 -3.318 13.973 6.586 66 HD12 LEU 8 2HD1 LEU 8 -2.874 14.554 4.983 67 HD13 LEU 8 3HD1 LEU 8 -3.511 12.922 5.183 68 HD21 LEU 8 3HD2 LEU 8 -6.321 14.917 3.732 69 HD22 LEU 8 1HD2 LEU 8 -5.337 13.475 3.475 70 HD23 LEU 8 2HD2 LEU 8 -4.613 15.076 3.319 71 H ASN 9 H ASN 9 -9.178 12.565 5.156 72 HA ASN 9 HA ASN 9 -10.487 12.082 7.689 73 HB2 ASN 9 1HB ASN 9 -11.119 10.985 4.939 74 HB3 ASN 9 2HB ASN 9 -12.123 10.797 6.373 75 HD21 ASN 9 2HD2 ASN 9 -11.164 12.865 3.810 76 HD22 ASN 9 1HD2 ASN 9 -12.240 14.171 4.168 77 H ASP 10 H ASP 10 -10.058 10.465 8.986 78 HA ASP 10 HA ASP 10 -8.247 8.374 8.193 79 HB2 ASP 10 1HB ASP 10 -8.655 7.572 10.573 80 HB3 ASP 10 2HB ASP 10 -7.940 9.170 10.407 81 H VAL 11 H VAL 11 -8.953 6.738 7.033 82 HA VAL 11 HA VAL 11 -11.721 5.833 7.367 83 HB VAL 11 HB VAL 11 -9.818 5.263 5.084 84 HG11 VAL 11 1HG1 VAL 11 -11.818 4.460 3.915 85 HG12 VAL 11 2HG1 VAL 11 -12.775 4.731 5.372 86 HG13 VAL 11 3HG1 VAL 11 -11.491 3.520 5.372 87 HG21 VAL 11 3HG2 VAL 11 -11.186 6.835 3.794 88 HG22 VAL 11 1HG2 VAL 11 -10.400 7.623 5.162 89 HG23 VAL 11 2HG2 VAL 11 -12.114 7.214 5.246 90 H LYS 12 H LYS 12 -11.978 4.114 8.596 91 HA LYS 12 HA LYS 12 -9.869 2.386 9.371 92 HB2 LYS 12 1HB LYS 12 -12.847 1.879 9.552 93 HB3 LYS 12 2HB LYS 12 -11.588 1.092 10.494 94 HG2 LYS 12 1HG LYS 12 -11.056 3.210 11.568 95 HG3 LYS 12 2HG LYS 12 -12.303 4.011 10.612 96 HD2 LYS 12 1HD LYS 12 -13.987 2.505 11.632 97 HD3 LYS 12 2HD LYS 12 -12.715 1.827 12.650 98 HE2 LYS 12 1HE LYS 12 -13.685 4.683 12.618 99 HE3 LYS 12 2HE LYS 12 -13.931 3.494 13.896 100 HZ1 LYS 12 3HZ LYS 12 -12.155 4.971 14.496 101 HZ2 LYS 12 1HZ LYS 12 -11.331 4.658 13.046 102 HZ3 LYS 12 2HZ LYS 12 -11.506 3.428 14.202 103 H TRP 13 H TRP 13 -9.128 0.559 8.431 104 HA TRP 13 HA TRP 13 -10.300 -0.113 5.853 105 HB2 TRP 13 1HB TRP 13 -7.715 0.160 6.565 106 HB3 TRP 13 2HB TRP 13 -7.907 -1.574 6.816 107 HD1 TRP 13 HD1 TRP 13 -10.152 -1.462 4.222 108 HE1 TRP 13 HE1 TRP 13 -9.107 -1.653 1.878 109 HE3 TRP 13 HE3 TRP 13 -5.324 -0.268 5.389 110 HZ2 TRP 13 HZ2 TRP 13 -6.573 -1.340 0.684 111 HZ3 TRP 13 HZ3 TRP 13 -3.651 -0.239 3.587 112 HH2 TRP 13 HH2 TRP 13 -4.265 -0.764 1.284 113 H GLU 14 H GLU 14 -11.971 -1.419 6.007 114 HA GLU 14 HA GLU 14 -12.424 -3.289 8.073 115 HB2 GLU 14 1HB GLU 14 -14.226 -2.276 6.727 116 HB3 GLU 14 2HB GLU 14 -13.653 -3.145 5.311 117 HG2 GLU 14 1HG GLU 14 -14.134 -5.271 6.454 118 HG3 GLU 14 2HG GLU 14 -14.779 -4.363 7.820 119 H LYS 15 H LYS 15 -11.547 -3.736 4.667 120 HA LYS 15 HA LYS 15 -10.336 -6.316 5.391 121 HB2 LYS 15 1HB LYS 15 -11.292 -5.374 2.674 122 HB3 LYS 15 2HB LYS 15 -10.579 -6.943 3.024 123 HG2 LYS 15 1HG LYS 15 -12.453 -7.539 4.414 124 HG3 LYS 15 2HG LYS 15 -13.147 -5.929 4.225 125 HD2 LYS 15 1HD LYS 15 -13.342 -6.341 1.795 126 HD3 LYS 15 2HD LYS 15 -12.736 -7.978 2.050 127 HE2 LYS 15 1HE LYS 15 -14.635 -8.501 3.452 128 HE3 LYS 15 2HE LYS 15 -15.218 -6.843 3.331 129 HZ1 LYS 15 3HZ LYS 15 -15.485 -7.182 0.928 130 HZ2 LYS 15 1HZ LYS 15 -16.435 -8.260 1.836 131 HZ3 LYS 15 2HZ LYS 15 -15.003 -8.797 1.101 132 HA PRO 16 HA PRO 16 -7.033 -3.299 4.557 133 HB2 PRO 16 1HB PRO 16 -5.427 -3.928 6.586 134 HB3 PRO 16 2HB PRO 16 -6.940 -3.052 6.857 135 HG2 PRO 16 1HG PRO 16 -6.322 -5.945 7.278 136 HG3 PRO 16 2HG PRO 16 -7.281 -4.844 8.282 137 HD2 PRO 16 1HD PRO 16 -8.326 -6.650 6.456 138 HD3 PRO 16 2HD PRO 16 -9.174 -5.219 7.074 139 H VAL 17 H VAL 17 -4.493 -3.660 4.720 140 HA VAL 17 HA VAL 17 -3.923 -6.137 3.247 141 HB VAL 17 HB VAL 17 -2.500 -3.473 3.049 142 HG11 VAL 17 1HG1 VAL 17 -1.246 -4.511 1.209 143 HG12 VAL 17 2HG1 VAL 17 -2.032 -6.053 1.551 144 HG13 VAL 17 3HG1 VAL 17 -0.955 -5.328 2.745 145 HG21 VAL 17 3HG2 VAL 17 -3.397 -3.394 0.778 146 HG22 VAL 17 1HG2 VAL 17 -4.690 -3.454 1.974 147 HG23 VAL 17 2HG2 VAL 17 -4.262 -4.902 1.065 148 H THR 18 H THR 18 -2.827 -7.542 4.402 149 HA THR 18 HA THR 18 -0.955 -6.701 6.456 150 HB THR 18 HB THR 18 -1.521 -9.495 5.431 151 HG1 THR 18 HG1 THR 18 -3.093 -9.608 7.034 152 HG21 THR 18 3HG2 THR 18 -0.680 -10.174 7.648 153 HG22 THR 18 1HG2 THR 18 -0.328 -8.487 8.021 154 HG23 THR 18 2HG2 THR 18 0.544 -9.303 6.724 155 H ILE 19 H ILE 19 0.754 -5.727 5.506 156 HA ILE 19 HA ILE 19 1.722 -6.751 2.963 157 HB ILE 19 HB ILE 19 1.386 -4.367 3.048 158 HG12 ILE 19 1HG1 ILE 19 4.351 -4.946 3.128 159 HG13 ILE 19 2HG1 ILE 19 3.307 -5.223 1.737 160 HG21 ILE 19 1HG2 ILE 19 2.651 -2.897 4.544 161 HG22 ILE 19 2HG2 ILE 19 3.322 -4.313 5.355 162 HG23 ILE 19 3HG2 ILE 19 1.590 -3.992 5.435 163 HD11 ILE 19 3HD1 ILE 19 3.909 -2.566 3.012 164 HD12 ILE 19 1HD1 ILE 19 2.832 -2.825 1.640 165 HD13 ILE 19 2HD1 ILE 19 4.555 -3.169 1.484 166 H SER 20 H SER 20 3.148 -8.285 3.007 167 HA SER 20 HA SER 20 4.856 -8.667 5.295 168 HB2 SER 20 1HB SER 20 4.757 -10.211 2.686 169 HB3 SER 20 2HB SER 20 5.539 -10.728 4.183 170 HG SER 20 HG SER 20 2.881 -10.056 4.458 171 H LEU 21 H LEU 21 6.404 -7.126 5.379 172 HA LEU 21 HA LEU 21 7.740 -6.004 3.176 173 HB2 LEU 21 1HB LEU 21 8.424 -6.207 6.096 174 HB3 LEU 21 2HB LEU 21 9.543 -5.486 4.959 175 HG LEU 21 HG LEU 21 7.759 -3.828 4.361 176 HD11 LEU 21 1HD1 LEU 21 5.899 -3.526 5.912 177 HD12 LEU 21 2HD1 LEU 21 6.366 -4.998 6.763 178 HD13 LEU 21 3HD1 LEU 21 5.808 -5.085 5.092 179 HD21 LEU 21 3HD2 LEU 21 8.673 -3.934 7.231 180 HD22 LEU 21 1HD2 LEU 21 8.057 -2.501 6.408 181 HD23 LEU 21 2HD2 LEU 21 9.559 -3.249 5.869 182 H GLN 22 H GLN 22 9.942 -6.297 2.516 183 HA GLN 22 HA GLN 22 10.614 -8.947 1.923 184 HB2 GLN 22 1HB GLN 22 12.330 -6.457 1.875 185 HB3 GLN 22 2HB GLN 22 12.772 -7.990 1.134 186 HG2 GLN 22 1HG GLN 22 10.972 -7.839 -0.427 187 HG3 GLN 22 2HG GLN 22 10.303 -6.435 0.404 188 HE21 GLN 22 2HE2 GLN 22 11.177 -6.765 -2.381 189 HE22 GLN 22 1HE2 GLN 22 12.371 -5.544 -2.644 190 H ASN 23 H ASN 23 11.111 -7.152 4.741 191 HA ASN 23 HA ASN 23 13.432 -8.563 5.707 192 HB2 ASN 23 1HB ASN 23 11.473 -6.714 7.087 193 HB3 ASN 23 2HB ASN 23 12.934 -7.355 7.831 194 HD21 ASN 23 2HD2 ASN 23 14.877 -6.457 7.361 195 HD22 ASN 23 1HD2 ASN 23 15.067 -5.049 6.363 196 H GLY 24 H GLY 24 10.420 -9.606 5.167 197 HA2 GLY 24 1HA GLY 24 9.380 -11.553 5.846 198 HA3 GLY 24 2HA GLY 24 10.666 -11.786 7.021 199 H ALA 25 H ALA 25 8.562 -8.976 6.711 200 HA ALA 25 HA ALA 25 7.324 -9.674 9.281 201 HB1 ALA 25 3HB ALA 25 8.485 -6.976 8.600 202 HB2 ALA 25 1HB ALA 25 9.177 -8.141 9.729 203 HB3 ALA 25 2HB ALA 25 7.620 -7.390 10.080 204 HA PRO 26 HA PRO 26 3.817 -8.326 6.753 205 HB2 PRO 26 1HB PRO 26 2.169 -9.814 8.588 206 HB3 PRO 26 2HB PRO 26 2.551 -10.190 6.908 207 HG2 PRO 26 1HG PRO 26 3.412 -11.676 9.044 208 HG3 PRO 26 2HG PRO 26 4.244 -11.610 7.480 209 HD2 PRO 26 1HD PRO 26 4.872 -10.159 10.025 210 HD3 PRO 26 2HD PRO 26 5.976 -10.911 8.853 211 H ARG 27 H ARG 27 3.373 -6.246 7.194 212 HA ARG 27 HA ARG 27 2.496 -5.520 9.892 213 HB2 ARG 27 1HB ARG 27 3.246 -3.833 7.505 214 HB3 ARG 27 2HB ARG 27 2.561 -3.166 8.979 215 HG2 ARG 27 1HG ARG 27 4.479 -4.145 10.231 216 HG3 ARG 27 2HG ARG 27 5.185 -4.604 8.680 217 HD2 ARG 27 1HD ARG 27 5.220 -2.268 7.991 218 HD3 ARG 27 2HD ARG 27 4.474 -1.794 9.516 219 HE ARG 27 HE ARG 27 6.955 -3.256 9.787 220 HH11 ARG 27 1HH1 ARG 27 5.450 -0.098 9.522 221 HH12 ARG 27 2HH1 ARG 27 6.794 0.746 10.230 222 HH21 ARG 27 1HH2 ARG 27 8.721 -2.153 10.708 223 HH22 ARG 27 2HH2 ARG 27 8.667 -0.424 10.889 224 H ILE 28 H ILE 28 0.425 -5.481 10.349 225 HA ILE 28 HA ILE 28 -1.548 -5.503 8.211 226 HB ILE 28 HB ILE 28 -1.950 -5.681 11.206 227 HG12 ILE 28 1HG1 ILE 28 -1.892 -7.855 9.101 228 HG13 ILE 28 2HG1 ILE 28 -0.647 -7.566 10.310 229 HG21 ILE 28 1HG2 ILE 28 -3.857 -6.265 8.943 230 HG22 ILE 28 2HG2 ILE 28 -3.925 -4.870 10.020 231 HG23 ILE 28 3HG2 ILE 28 -4.182 -6.492 10.661 232 HD11 ILE 28 3HD1 ILE 28 -2.053 -9.434 10.938 233 HD12 ILE 28 1HD1 ILE 28 -3.484 -8.408 10.858 234 HD13 ILE 28 2HD1 ILE 28 -2.248 -8.101 12.078 235 H PHE 29 H PHE 29 -2.357 -3.668 7.453 236 HA PHE 29 HA PHE 29 -2.082 -1.194 8.891 237 HB2 PHE 29 1HB PHE 29 -3.525 -1.840 6.311 238 HB3 PHE 29 2HB PHE 29 -3.328 -0.217 6.964 239 HD1 PHE 29 HD1 PHE 29 -0.668 0.094 7.744 240 HD2 PHE 29 HD2 PHE 29 -2.175 -2.231 4.512 241 HE1 PHE 29 HE1 PHE 29 1.494 0.306 6.588 242 HE2 PHE 29 HE2 PHE 29 -0.015 -2.027 3.355 243 HZ PHE 29 HZ PHE 29 1.823 -0.759 4.392 244 H ASN 30 H ASN 30 -3.497 -0.256 10.203 245 HA ASN 30 HA ASN 30 -5.981 -1.648 10.795 246 HB2 ASN 30 1HB ASN 30 -4.721 0.796 12.067 247 HB3 ASN 30 2HB ASN 30 -6.152 -0.038 12.668 248 HD21 ASN 30 2HD2 ASN 30 -2.707 -0.204 12.219 249 HD22 ASN 30 1HD2 ASN 30 -2.433 -1.530 13.301 250 H GLY 31 H GLY 31 -4.868 1.178 9.174 251 HA2 GLY 31 1HA GLY 31 -7.585 1.721 8.264 252 HA3 GLY 31 2HA GLY 31 -6.715 3.038 9.045 253 H VAL 32 H VAL 32 -7.580 3.293 6.447 254 HA VAL 32 HA VAL 32 -5.659 2.447 4.539 255 HB VAL 32 HB VAL 32 -7.576 4.766 4.274 256 HG11 VAL 32 1HG1 VAL 32 -5.905 4.743 2.537 257 HG12 VAL 32 2HG1 VAL 32 -7.446 4.212 1.866 258 HG13 VAL 32 3HG1 VAL 32 -6.193 3.030 2.234 259 HG21 VAL 32 3HG2 VAL 32 -8.779 2.752 4.948 260 HG22 VAL 32 1HG2 VAL 32 -8.018 1.848 3.639 261 HG23 VAL 32 2HG2 VAL 32 -9.135 3.164 3.270 262 H TYR 33 H TYR 33 -5.912 5.251 6.614 263 HA TYR 33 HA TYR 33 -4.058 6.881 5.222 264 HB2 TYR 33 1HB TYR 33 -5.610 7.798 6.918 265 HB3 TYR 33 2HB TYR 33 -4.732 6.929 8.175 266 HD1 TYR 33 HD1 TYR 33 -4.646 9.751 5.851 267 HD2 TYR 33 HD2 TYR 33 -2.519 7.672 8.892 268 HE1 TYR 33 HE1 TYR 33 -3.089 11.639 6.043 269 HE2 TYR 33 HE2 TYR 33 -0.956 9.561 9.097 270 HH TYR 33 HH TYR 33 -0.153 11.460 7.502 271 H GLU 34 H GLU 34 -3.756 4.444 7.724 272 HA GLU 34 HA GLU 34 -1.064 4.859 8.394 273 HB2 GLU 34 1HB GLU 34 -2.598 3.479 9.722 274 HB3 GLU 34 2HB GLU 34 -2.677 2.303 8.419 275 HG2 GLU 34 1HG GLU 34 -0.412 1.677 8.732 276 HG3 GLU 34 2HG GLU 34 -0.130 3.022 9.837 277 H ALA 35 H ALA 35 -2.594 2.992 5.837 278 HA ALA 35 HA ALA 35 -0.238 1.786 4.832 279 HB1 ALA 35 3HB ALA 35 -1.548 1.318 2.841 280 HB2 ALA 35 1HB ALA 35 -2.786 2.461 3.365 281 HB3 ALA 35 2HB ALA 35 -2.496 0.988 4.293 282 H PHE 36 H PHE 36 -2.055 4.663 3.842 283 HA PHE 36 HA PHE 36 -0.430 5.541 1.766 284 HB2 PHE 36 1HB PHE 36 -2.633 6.488 2.236 285 HB3 PHE 36 2HB PHE 36 -2.044 7.159 3.751 286 HD1 PHE 36 HD2 PHE 36 -1.566 7.332 0.071 287 HD2 PHE 36 HD1 PHE 36 -1.144 9.302 3.820 288 HE1 PHE 36 HE2 PHE 36 -0.956 9.411 -1.095 289 HE2 PHE 36 HE1 PHE 36 -0.534 11.386 2.662 290 HZ PHE 36 HZ PHE 36 -0.439 11.439 0.202 291 H ASP 37 H ASP 37 -0.246 6.265 5.225 292 HA ASP 37 HA ASP 37 1.943 8.039 5.075 293 HB2 ASP 37 1HB ASP 37 0.515 8.036 7.020 294 HB3 ASP 37 2HB ASP 37 0.896 6.350 7.354 295 H PHE 38 H PHE 38 1.762 4.542 5.694 296 HA PHE 38 HA PHE 38 4.474 4.118 6.246 297 HB2 PHE 38 1HB PHE 38 2.769 2.418 6.683 298 HB3 PHE 38 2HB PHE 38 2.488 2.232 4.955 299 HD1 PHE 38 HD1 PHE 38 5.354 2.138 7.346 300 HD2 PHE 38 HD2 PHE 38 3.467 0.410 3.942 301 HE1 PHE 38 HE1 PHE 38 7.095 0.404 7.261 302 HE2 PHE 38 HE2 PHE 38 5.207 -1.322 3.855 303 HZ PHE 38 HZ PHE 38 7.022 -1.326 5.515 304 H LEU 39 H LEU 39 2.745 4.296 3.192 305 HA LEU 39 HA LEU 39 4.818 3.370 1.518 306 HB2 LEU 39 1HB LEU 39 2.580 5.302 0.914 307 HB3 LEU 39 2HB LEU 39 3.576 4.505 -0.289 308 HG LEU 39 HG LEU 39 1.710 3.120 1.635 309 HD11 LEU 39 1HD1 LEU 39 0.371 2.649 -0.349 310 HD12 LEU 39 2HD1 LEU 39 1.482 3.603 -1.330 311 HD13 LEU 39 3HD1 LEU 39 0.522 4.384 -0.074 312 HD21 LEU 39 3HD2 LEU 39 3.687 1.785 1.065 313 HD22 LEU 39 1HD2 LEU 39 3.336 2.012 -0.649 314 HD23 LEU 39 2HD2 LEU 39 2.214 1.113 0.370 315 H GLN 40 H GLN 40 4.155 6.476 2.950 316 HA GLN 40 HA GLN 40 6.146 7.842 1.357 317 HB2 GLN 40 1HB GLN 40 4.547 8.732 3.766 318 HB3 GLN 40 2HB GLN 40 5.644 9.767 2.864 319 HG2 GLN 40 1HG GLN 40 4.275 9.527 0.877 320 HG3 GLN 40 2HG GLN 40 3.193 8.433 1.738 321 HE21 GLN 40 2HE2 GLN 40 2.735 11.061 0.445 322 HE22 GLN 40 1HE2 GLN 40 2.015 12.044 1.675 323 H HIS 41 H HIS 41 6.001 6.079 4.290 324 HA HIS 41 HA HIS 41 8.357 7.241 5.460 325 HB2 HIS 41 1HB HIS 41 6.647 4.867 6.150 326 HB3 HIS 41 2HB HIS 41 8.176 5.151 6.969 327 HD1 HIS 41 HD1 HIS 41 7.108 5.626 9.230 328 HD2 HIS 41 HD2 HIS 41 5.771 8.139 6.204 329 HE1 HIS 41 HE1 HIS 41 5.807 7.443 10.382 330 HE2 HIS 41 HE2 HIS 41 4.757 8.745 8.497 331 H GLU 42 H GLU 42 7.759 3.834 4.574 332 HA GLU 42 HA GLU 42 10.319 3.747 3.199 333 HB2 GLU 42 1HB GLU 42 9.744 2.210 5.722 334 HB3 GLU 42 2HB GLU 42 10.930 1.655 4.549 335 HG2 GLU 42 1HG GLU 42 12.213 3.679 4.829 336 HG3 GLU 42 2HG GLU 42 10.994 4.331 5.922 337 H TRP 43 H TRP 43 8.611 3.464 1.525 338 HA TRP 43 HA TRP 43 7.614 0.750 1.311 339 HB2 TRP 43 1HB TRP 43 6.198 2.445 0.374 340 HB3 TRP 43 2HB TRP 43 7.529 3.136 -0.544 341 HD1 TRP 43 HD1 TRP 43 7.751 2.377 -2.968 342 HE1 TRP 43 HE1 TRP 43 6.693 0.549 -4.432 343 HE3 TRP 43 HE3 TRP 43 5.198 -0.186 0.653 344 HZ2 TRP 43 HZ2 TRP 43 5.007 -1.686 -4.101 345 HZ3 TRP 43 HZ3 TRP 43 3.890 -2.158 -0.012 346 HH2 TRP 43 HH2 TRP 43 3.796 -2.891 -2.338 347 HA PRO 44 HA PRO 44 11.365 -1.209 0.083 348 HB2 PRO 44 1HB PRO 44 9.488 -2.384 -1.941 349 HB3 PRO 44 2HB PRO 44 10.729 -3.183 -0.967 350 HG2 PRO 44 1HG PRO 44 8.137 -3.257 -0.279 351 HG3 PRO 44 2HG PRO 44 9.427 -3.190 0.933 352 HD2 PRO 44 1HD PRO 44 7.469 -1.135 0.181 353 HD3 PRO 44 2HD PRO 44 8.467 -1.260 1.642 354 H ALA 45 H ALA 45 9.371 -0.547 -2.828 355 HA ALA 45 HA ALA 45 11.815 0.529 -4.075 356 HB1 ALA 45 3HB ALA 45 9.514 -0.868 -5.435 357 HB2 ALA 45 1HB ALA 45 11.096 -1.571 -5.098 358 HB3 ALA 45 2HB ALA 45 10.951 -0.225 -6.228 359 H ARG 46 H ARG 46 11.514 2.678 -3.620 360 HA ARG 46 HA ARG 46 8.980 3.917 -4.402 361 HB2 ARG 46 1HB ARG 46 11.307 4.898 -2.755 362 HB3 ARG 46 2HB ARG 46 10.006 5.960 -3.284 363 HG2 ARG 46 1HG ARG 46 8.388 4.652 -2.065 364 HG3 ARG 46 2HG ARG 46 9.633 3.485 -1.612 365 HD2 ARG 46 1HD ARG 46 9.686 6.402 -0.861 366 HD3 ARG 46 2HD ARG 46 9.049 5.126 0.175 367 HE ARG 46 HE ARG 46 11.612 4.350 -0.522 368 HH11 ARG 46 1HH1 ARG 46 10.135 7.059 1.136 369 HH12 ARG 46 2HH1 ARG 46 11.477 7.297 2.208 370 HH21 ARG 46 1HH2 ARG 46 13.386 4.670 0.903 371 HH22 ARG 46 2HH2 ARG 46 13.317 5.959 2.073 372 H GLY 47 H GLY 47 8.829 5.524 -5.933 373 HA2 GLY 47 1HA GLY 47 10.128 7.234 -7.209 374 HA3 GLY 47 2HA GLY 47 11.246 5.931 -7.576 375 H ASP 48 H ASP 48 9.066 3.979 -7.951 376 HA ASP 48 HA ASP 48 8.625 4.668 -10.739 377 HB2 ASP 48 1HB ASP 48 9.509 2.395 -9.744 378 HB3 ASP 48 2HB ASP 48 7.793 2.046 -9.557 379 H ARG 49 H ARG 49 6.463 3.234 -11.423 380 HA ARG 49 HA ARG 49 4.358 5.055 -10.841 381 HB2 ARG 49 1HB ARG 49 4.192 2.366 -12.214 382 HB3 ARG 49 2HB ARG 49 3.058 3.701 -12.366 383 HG2 ARG 49 1HG ARG 49 4.509 4.955 -13.670 384 HG3 ARG 49 2HG ARG 49 5.926 4.046 -13.137 385 HD2 ARG 49 1HD ARG 49 5.033 2.062 -14.330 386 HD3 ARG 49 2HD ARG 49 3.721 3.066 -14.945 387 HE ARG 49 HE ARG 49 5.201 4.099 -16.393 388 HH11 ARG 49 1HH1 ARG 49 6.933 1.997 -14.192 389 HH12 ARG 49 2HH1 ARG 49 8.404 2.016 -15.115 390 HH21 ARG 49 1HH2 ARG 49 7.152 4.141 -17.611 391 HH22 ARG 49 2HH2 ARG 49 8.540 3.264 -17.032 392 H ALA 50 H ALA 50 5.231 1.859 -9.710 393 HA ALA 50 HA ALA 50 2.800 1.054 -8.598 394 HB1 ALA 50 3HB ALA 50 5.579 0.411 -7.611 395 HB2 ALA 50 1HB ALA 50 4.714 -0.446 -8.887 396 HB3 ALA 50 2HB ALA 50 4.106 -0.481 -7.233 397 H HIS 51 H HIS 51 5.562 2.614 -6.964 398 HA HIS 51 HA HIS 51 4.294 3.048 -4.509 399 HB2 HIS 51 1HB HIS 51 6.691 3.302 -4.721 400 HB3 HIS 51 2HB HIS 51 6.493 4.622 -5.865 401 HD1 HIS 51 HD1 HIS 51 6.668 6.886 -4.896 402 HD2 HIS 51 HD2 HIS 51 5.595 4.056 -2.039 403 HE1 HIS 51 HE1 HIS 51 6.629 8.117 -2.700 404 HE2 HIS 51 HE2 HIS 51 6.171 6.343 -0.969 405 H GLU 52 H GLU 52 4.383 5.037 -7.434 406 HA GLU 52 HA GLU 52 3.184 7.331 -6.331 407 HB2 GLU 52 1HB GLU 52 4.381 7.333 -8.470 408 HB3 GLU 52 2HB GLU 52 3.115 6.344 -9.184 409 HG2 GLU 52 1HG GLU 52 1.501 8.159 -8.742 410 HG3 GLU 52 2HG GLU 52 2.830 9.151 -8.141 411 H GLN 53 H GLN 53 1.712 4.688 -8.238 412 HA GLN 53 HA GLN 53 -0.898 5.791 -8.050 413 HB2 GLN 53 1HB GLN 53 0.019 3.014 -8.799 414 HB3 GLN 53 2HB GLN 53 -1.646 3.570 -8.921 415 HG2 GLN 53 1HG GLN 53 -0.837 5.388 -10.434 416 HG3 GLN 53 2HG GLN 53 0.742 4.606 -10.425 417 HE21 GLN 53 2HE2 GLN 53 -1.089 5.105 -12.625 418 HE22 GLN 53 1HE2 GLN 53 -1.426 3.556 -13.325 419 H ALA 54 H ALA 54 0.903 3.494 -6.108 420 HA ALA 54 HA ALA 54 -1.204 2.526 -4.529 421 HB1 ALA 54 3HB ALA 54 1.063 1.579 -4.494 422 HB2 ALA 54 1HB ALA 54 0.491 1.977 -2.873 423 HB3 ALA 54 2HB ALA 54 1.649 3.032 -3.685 424 H LEU 55 H LEU 55 0.758 5.450 -4.285 425 HA LEU 55 HA LEU 55 -0.337 6.430 -1.879 426 HB2 LEU 55 1HB LEU 55 0.842 7.897 -4.240 427 HB3 LEU 55 2HB LEU 55 0.412 8.665 -2.725 428 HG LEU 55 HG LEU 55 2.489 6.495 -3.031 429 HD11 LEU 55 1HD1 LEU 55 2.819 9.461 -2.590 430 HD12 LEU 55 2HD1 LEU 55 3.150 8.606 -4.095 431 HD13 LEU 55 3HD1 LEU 55 4.113 8.264 -2.659 432 HD21 LEU 55 3HD2 LEU 55 3.076 7.074 -0.728 433 HD22 LEU 55 1HD2 LEU 55 1.414 6.494 -0.841 434 HD23 LEU 55 2HD2 LEU 55 1.737 8.219 -0.673 435 H ARG 56 H ARG 56 -1.191 7.015 -5.275 436 HA ARG 56 HA ARG 56 -3.288 8.807 -4.872 437 HB2 ARG 56 1HB ARG 56 -2.376 8.436 -7.076 438 HB3 ARG 56 2HB ARG 56 -2.886 6.754 -7.051 439 HG2 ARG 56 1HG ARG 56 -5.222 7.452 -7.051 440 HG3 ARG 56 2HG ARG 56 -4.720 9.144 -7.058 441 HD2 ARG 56 1HD ARG 56 -3.658 8.852 -9.213 442 HD3 ARG 56 2HD ARG 56 -4.037 7.130 -9.198 443 HE ARG 56 HE ARG 56 -6.474 8.057 -9.056 444 HH11 ARG 56 1HH1 ARG 56 -3.830 9.423 -10.910 445 HH12 ARG 56 2HH1 ARG 56 -4.862 10.025 -12.169 446 HH21 ARG 56 1HH2 ARG 56 -7.823 8.829 -10.729 447 HH22 ARG 56 2HH2 ARG 56 -7.112 9.650 -12.090 448 H LEU 57 H LEU 57 -3.354 5.269 -5.047 449 HA LEU 57 HA LEU 57 -6.108 4.887 -4.881 450 HB2 LEU 57 1HB LEU 57 -3.883 3.167 -3.784 451 HB3 LEU 57 2HB LEU 57 -5.544 2.646 -3.992 452 HG LEU 57 HG LEU 57 -3.840 3.597 -6.287 453 HD11 LEU 57 1HD1 LEU 57 -2.780 1.658 -5.245 454 HD12 LEU 57 2HD1 LEU 57 -3.453 1.259 -6.826 455 HD13 LEU 57 3HD1 LEU 57 -4.299 0.767 -5.357 456 HD21 LEU 57 3HD2 LEU 57 -6.380 1.975 -6.165 457 HD22 LEU 57 1HD2 LEU 57 -5.501 2.409 -7.630 458 HD23 LEU 57 2HD2 LEU 57 -6.252 3.666 -6.649 459 H CYS 58 H CYS 58 -3.718 5.010 -2.247 460 HA CYS 58 HA CYS 58 -5.635 4.721 -0.176 461 HB2 CYS 58 1HB CYS 58 -2.880 5.954 -0.004 462 HB3 CYS 58 2HB CYS 58 -3.819 5.285 1.327 463 HG CYS 58 HG CYS 58 -2.169 3.637 -1.147 464 H ARG 59 H ARG 59 -4.069 7.500 -1.678 465 HA ARG 59 HA ARG 59 -4.993 9.521 0.022 466 HB2 ARG 59 1HB ARG 59 -3.217 9.753 -1.698 467 HB3 ARG 59 2HB ARG 59 -4.447 9.669 -2.948 468 HG2 ARG 59 1HG ARG 59 -5.460 11.732 -2.013 469 HG3 ARG 59 2HG ARG 59 -4.099 11.837 -0.891 470 HD2 ARG 59 1HD ARG 59 -2.551 11.887 -2.797 471 HD3 ARG 59 2HD ARG 59 -3.922 11.820 -3.902 472 HE ARG 59 HE ARG 59 -3.253 14.090 -2.135 473 HH11 ARG 59 1HH1 ARG 59 -4.998 12.756 -4.856 474 HH12 ARG 59 2HH1 ARG 59 -5.340 14.305 -5.565 475 HH21 ARG 59 1HH2 ARG 59 -3.710 16.125 -3.038 476 HH22 ARG 59 2HH2 ARG 59 -4.635 16.237 -4.509 477 H ALA 60 H ALA 60 -6.376 8.262 -3.005 478 HA ALA 60 HA ALA 60 -8.656 9.923 -3.013 479 HB1 ALA 60 3HB ALA 60 -8.293 7.197 -4.250 480 HB2 ALA 60 1HB ALA 60 -7.877 8.737 -5.001 481 HB3 ALA 60 2HB ALA 60 -9.563 8.355 -4.649 482 H SER 61 H SER 61 -7.994 6.777 -1.588 483 HA SER 61 HA SER 61 -10.634 6.153 -0.827 484 HB2 SER 61 1HB SER 61 -8.686 4.557 -0.898 485 HB3 SER 61 2HB SER 61 -8.102 5.302 0.588 486 HG SER 61 HG SER 61 -10.544 4.748 1.143 487 H LEU 62 H LEU 62 -8.122 8.105 0.657 488 HA LEU 62 HA LEU 62 -9.444 8.430 3.171 489 HB2 LEU 62 1HB LEU 62 -7.305 10.112 1.863 490 HB3 LEU 62 2HB LEU 62 -7.809 10.238 3.537 491 HG LEU 62 HG LEU 62 -6.512 7.818 2.285 492 HD11 LEU 62 1HD1 LEU 62 -5.412 9.892 4.175 493 HD12 LEU 62 2HD1 LEU 62 -4.959 9.673 2.484 494 HD13 LEU 62 3HD1 LEU 62 -4.583 8.420 3.667 495 HD21 LEU 62 3HD2 LEU 62 -8.042 7.227 4.089 496 HD22 LEU 62 1HD2 LEU 62 -7.257 8.398 5.150 497 HD23 LEU 62 2HD2 LEU 62 -6.364 6.987 4.580 498 H MET 63 H MET 63 -9.900 9.764 0.081 499 HA MET 63 HA MET 63 -11.363 12.072 1.112 500 HB2 MET 63 1HB MET 63 -10.809 11.175 -1.724 501 HB3 MET 63 2HB MET 63 -11.693 12.631 -1.292 502 HG2 MET 63 1HG MET 63 -8.824 12.059 -0.590 503 HG3 MET 63 2HG MET 63 -9.374 13.097 -1.905 504 HE1 MET 63 3HE MET 63 -11.169 15.979 0.096 505 HE2 MET 63 1HE MET 63 -11.916 14.494 -0.496 506 HE3 MET 63 2HE MET 63 -10.757 15.361 -1.504 507 H GLY 64 H GLY 64 -11.896 8.874 0.631 508 HA2 GLY 64 1HA GLY 64 -13.917 7.741 0.925 509 HA3 GLY 64 2HA GLY 64 -14.779 9.238 0.605 510 H ASP 65 H ASP 65 -12.359 8.591 -1.682 511 HA ASP 65 HA ASP 65 -14.349 8.167 -3.723 512 HB2 ASP 65 1HB ASP 65 -12.342 9.600 -4.076 513 HB3 ASP 65 2HB ASP 65 -11.335 8.160 -3.976 514 H VAL 66 H VAL 66 -11.936 6.265 -2.061 515 HA VAL 66 HA VAL 66 -12.711 3.905 -3.633 516 HB VAL 66 HB VAL 66 -10.273 4.289 -1.879 517 HG11 VAL 66 1HG1 VAL 66 -9.503 2.165 -2.858 518 HG12 VAL 66 2HG1 VAL 66 -11.062 1.989 -3.665 519 HG13 VAL 66 3HG1 VAL 66 -10.972 1.969 -1.904 520 HG21 VAL 66 3HG2 VAL 66 -9.009 4.288 -3.979 521 HG22 VAL 66 1HG2 VAL 66 -10.154 5.628 -3.912 522 HG23 VAL 66 2HG2 VAL 66 -10.521 4.204 -4.885 523 H ALA 67 H ALA 67 -13.767 2.277 -2.688 524 HA ALA 67 HA ALA 67 -14.771 2.632 -0.015 525 HB1 ALA 67 3HB ALA 67 -16.196 1.841 -1.835 526 HB2 ALA 67 1HB ALA 67 -16.146 0.686 -0.502 527 HB3 ALA 67 2HB ALA 67 -15.216 0.380 -1.968 528 H GLY 68 H GLY 68 -11.865 1.995 -0.336 529 HA2 GLY 68 1HA GLY 68 -10.387 0.973 1.116 530 HA3 GLY 68 2HA GLY 68 -11.750 0.173 1.877 531 H GLU 69 H GLU 69 -12.803 -1.449 0.081 532 HA GLU 69 HA GLU 69 -11.046 -3.622 0.036 533 HB2 GLU 69 1HB GLU 69 -13.544 -3.170 -1.603 534 HB3 GLU 69 2HB GLU 69 -12.729 -4.718 -1.415 535 HG2 GLU 69 1HG GLU 69 -13.138 -4.630 0.997 536 HG3 GLU 69 2HG GLU 69 -13.984 -3.097 0.792 537 H ILE 70 H ILE 70 -11.975 -1.426 -2.585 538 HA ILE 70 HA ILE 70 -10.549 -2.661 -4.656 539 HB ILE 70 HB ILE 70 -11.206 0.268 -4.296 540 HG12 ILE 70 1HG1 ILE 70 -12.654 -1.923 -5.803 541 HG13 ILE 70 2HG1 ILE 70 -13.170 -1.228 -4.270 542 HG21 ILE 70 1HG2 ILE 70 -10.922 0.462 -6.712 543 HG22 ILE 70 2HG2 ILE 70 -10.432 -1.230 -6.797 544 HG23 ILE 70 3HG2 ILE 70 -9.426 -0.062 -5.938 545 HD11 ILE 70 3HD1 ILE 70 -12.939 0.247 -6.882 546 HD12 ILE 70 1HD1 ILE 70 -13.477 0.932 -5.347 547 HD13 ILE 70 2HD1 ILE 70 -14.432 -0.322 -6.136 548 H ALA 71 H ALA 71 -9.559 -0.379 -2.180 549 HA ALA 71 HA ALA 71 -7.065 0.335 -3.273 550 HB1 ALA 71 3HB ALA 71 -8.143 1.601 -1.468 551 HB2 ALA 71 1HB ALA 71 -6.498 1.127 -1.046 552 HB3 ALA 71 2HB ALA 71 -7.870 0.252 -0.365 553 H ARG 72 H ARG 72 -8.061 -2.303 -1.128 554 HA ARG 72 HA ARG 72 -5.500 -3.305 -0.555 555 HB2 ARG 72 1HB ARG 72 -7.319 -4.124 0.748 556 HB3 ARG 72 2HB ARG 72 -8.198 -4.656 -0.679 557 HG2 ARG 72 1HG ARG 72 -6.539 -6.387 -1.083 558 HG3 ARG 72 2HG ARG 72 -5.608 -5.839 0.308 559 HD2 ARG 72 1HD ARG 72 -7.349 -6.484 1.813 560 HD3 ARG 72 2HD ARG 72 -8.449 -6.822 0.477 561 HE ARG 72 HE ARG 72 -6.678 -8.588 -0.130 562 HH11 ARG 72 1HH1 ARG 72 -7.405 -7.624 3.159 563 HH12 ARG 72 2HH1 ARG 72 -7.072 -9.190 3.823 564 HH21 ARG 72 1HH2 ARG 72 -6.228 -10.636 0.733 565 HH22 ARG 72 2HH2 ARG 72 -6.403 -10.911 2.437 566 H THR 73 H THR 73 -7.810 -4.262 -3.092 567 HA THR 73 HA THR 73 -6.265 -6.310 -4.194 568 HB THR 73 HB THR 73 -8.178 -4.570 -5.753 569 HG1 THR 73 HG1 THR 73 -9.814 -5.553 -4.758 570 HG21 THR 73 3HG2 THR 73 -7.455 -7.497 -5.969 571 HG22 THR 73 1HG2 THR 73 -6.917 -6.220 -7.060 572 HG23 THR 73 2HG2 THR 73 -8.626 -6.645 -6.975 573 H ALA 74 H ALA 74 -6.546 -2.905 -5.191 574 HA ALA 74 HA ALA 74 -4.725 -3.142 -7.355 575 HB1 ALA 74 3HB ALA 74 -5.620 -0.666 -5.884 576 HB2 ALA 74 1HB ALA 74 -6.441 -1.404 -7.261 577 HB3 ALA 74 2HB ALA 74 -4.831 -0.712 -7.461 578 H PHE 75 H PHE 75 -4.336 -2.512 -3.958 579 HA PHE 75 HA PHE 75 -1.720 -1.421 -4.068 580 HB2 PHE 75 1HB PHE 75 -3.239 -1.234 -2.098 581 HB3 PHE 75 2HB PHE 75 -3.014 -2.953 -1.799 582 HD1 PHE 75 HD2 PHE 75 -1.263 0.294 -1.957 583 HD2 PHE 75 HD1 PHE 75 -1.152 -3.734 -0.594 584 HE1 PHE 75 HE2 PHE 75 0.716 0.814 -0.596 585 HE2 PHE 75 HE1 PHE 75 0.831 -3.224 0.772 586 HZ PHE 75 HZ PHE 75 1.768 -0.947 0.770 587 H VAL 76 H VAL 76 -2.974 -4.706 -3.607 588 HA VAL 76 HA VAL 76 -0.500 -5.994 -3.251 589 HB VAL 76 HB VAL 76 -3.028 -7.120 -4.485 590 HG11 VAL 76 1HG1 VAL 76 -0.671 -8.548 -3.255 591 HG12 VAL 76 2HG1 VAL 76 -1.065 -8.498 -4.972 592 HG13 VAL 76 3HG1 VAL 76 -2.151 -9.305 -3.843 593 HG21 VAL 76 3HG2 VAL 76 -3.497 -7.974 -2.242 594 HG22 VAL 76 1HG2 VAL 76 -3.398 -6.213 -2.249 595 HG23 VAL 76 2HG2 VAL 76 -2.051 -7.170 -1.631 596 H ALA 77 H ALA 77 -2.328 -5.176 -6.151 597 HA ALA 77 HA ALA 77 -0.691 -6.465 -8.035 598 HB1 ALA 77 3HB ALA 77 -1.683 -4.955 -9.677 599 HB2 ALA 77 1HB ALA 77 -2.319 -3.950 -8.376 600 HB3 ALA 77 2HB ALA 77 -2.907 -5.599 -8.583 601 H ALA 78 H ALA 78 -0.506 -3.249 -6.577 602 HA ALA 78 HA ALA 78 1.722 -2.382 -8.137 603 HB1 ALA 78 3HB ALA 78 1.850 -0.525 -6.555 604 HB2 ALA 78 1HB ALA 78 0.704 -1.342 -5.493 605 HB3 ALA 78 2HB ALA 78 0.190 -0.791 -7.088 606 H SER 79 H SER 79 1.326 -3.968 -5.030 607 HA SER 79 HA SER 79 3.957 -3.731 -4.082 608 HB2 SER 79 1HB SER 79 1.963 -5.954 -3.575 609 HB3 SER 79 2HB SER 79 3.388 -5.601 -2.596 610 HG SER 79 HG SER 79 1.188 -3.849 -3.034 611 H ARG 80 H ARG 80 2.556 -5.787 -6.495 612 HA ARG 80 HA ARG 80 4.454 -7.858 -6.520 613 HB2 ARG 80 1HB ARG 80 2.297 -7.967 -7.713 614 HB3 ARG 80 2HB ARG 80 2.868 -6.746 -8.843 615 HG2 ARG 80 1HG ARG 80 4.648 -8.255 -9.574 616 HG3 ARG 80 2HG ARG 80 4.064 -9.482 -8.450 617 HD2 ARG 80 1HD ARG 80 1.879 -9.432 -9.634 618 HD3 ARG 80 2HD ARG 80 2.593 -8.335 -10.815 619 HE ARG 80 HE ARG 80 4.210 -10.617 -10.622 620 HH11 ARG 80 1HH1 ARG 80 1.036 -9.677 -11.765 621 HH12 ARG 80 2HH1 ARG 80 0.957 -10.938 -12.966 622 HH21 ARG 80 1HH2 ARG 80 4.113 -12.276 -12.168 623 HH22 ARG 80 2HH2 ARG 80 2.712 -12.426 -13.195 624 H GLN 81 H GLN 81 4.435 -4.669 -7.990 625 HA GLN 81 HA GLN 81 6.652 -5.144 -9.716 626 HB2 GLN 81 1HB GLN 81 4.826 -3.335 -9.899 627 HB3 GLN 81 2HB GLN 81 5.792 -2.432 -8.739 628 HG2 GLN 81 1HG GLN 81 6.330 -1.690 -10.948 629 HG3 GLN 81 2HG GLN 81 7.710 -2.568 -10.290 630 HE21 GLN 81 2HE2 GLN 81 8.574 -3.112 -12.265 631 HE22 GLN 81 1HE2 GLN 81 7.825 -4.249 -13.338 632 H ALA 82 H ALA 82 6.385 -4.608 -6.387 633 HA ALA 82 HA ALA 82 9.212 -3.810 -6.194 634 HB1 ALA 82 3HB ALA 82 7.642 -2.353 -5.005 635 HB2 ALA 82 1HB ALA 82 8.729 -3.180 -3.888 636 HB3 ALA 82 2HB ALA 82 7.065 -3.737 -4.074 637 H HIS 83 H HIS 83 7.450 -6.496 -6.373 638 HA HIS 83 HA HIS 83 7.684 -8.674 -5.802 639 HB2 HIS 83 1HB HIS 83 10.458 -7.779 -4.995 640 HB3 HIS 83 2HB HIS 83 9.944 -9.459 -5.085 641 HD1 HIS 83 HD1 HIS 83 11.776 -7.146 -6.967 642 HD2 HIS 83 HD2 HIS 83 8.790 -9.882 -7.927 643 HE1 HIS 83 HE1 HIS 83 11.998 -7.560 -9.442 644 HE2 HIS 83 HE2 HIS 83 10.108 -9.126 -10.025 645 H CYS 84 H CYS 84 6.820 -6.619 -3.779 646 HA CYS 84 HA CYS 84 7.493 -8.002 -1.281 647 HB2 CYS 84 1HB CYS 84 7.635 -5.451 -1.551 648 HB3 CYS 84 2HB CYS 84 5.876 -5.466 -1.579 649 HG CYS 84 HG CYS 84 6.373 -7.119 1.035 650 H LEU 85 H LEU 85 6.155 -9.771 -2.389 651 HA LEU 85 HA LEU 85 3.274 -9.246 -2.256 652 HB2 LEU 85 1HB LEU 85 4.887 -11.305 -3.733 653 HB3 LEU 85 2HB LEU 85 3.144 -11.402 -3.587 654 HG LEU 85 HG LEU 85 4.650 -9.133 -4.889 655 HD11 LEU 85 1HD1 LEU 85 3.769 -10.036 -6.976 656 HD12 LEU 85 2HD1 LEU 85 3.042 -11.381 -6.097 657 HD13 LEU 85 3HD1 LEU 85 4.798 -11.214 -6.163 658 HD21 LEU 85 3HD2 LEU 85 2.550 -8.412 -3.890 659 HD22 LEU 85 1HD2 LEU 85 1.698 -9.729 -4.698 660 HD23 LEU 85 2HD2 LEU 85 2.427 -8.436 -5.649 661 H MET 86 H MET 86 2.083 -10.108 -0.730 662 HA MET 86 HA MET 86 2.934 -12.588 0.577 663 HB2 MET 86 1HB MET 86 2.044 -10.753 2.009 664 HB3 MET 86 2HB MET 86 0.527 -10.824 1.124 665 HG2 MET 86 1HG MET 86 0.264 -13.175 1.873 666 HG3 MET 86 2HG MET 86 1.712 -12.976 2.860 667 HE1 MET 86 3HE MET 86 -2.010 -11.862 2.283 668 HE2 MET 86 1HE MET 86 -1.141 -10.330 2.167 669 HE3 MET 86 2HE MET 86 -2.214 -10.635 3.534 670 H GLU 87 H GLU 87 1.938 -14.524 0.085 671 HA GLU 87 HA GLU 87 0.574 -14.660 -2.399 672 HB2 GLU 87 1HB GLU 87 1.136 -16.737 -0.298 673 HB3 GLU 87 2HB GLU 87 0.276 -17.105 -1.783 674 HG2 GLU 87 1HG GLU 87 2.304 -16.170 -2.997 675 HG3 GLU 87 2HG GLU 87 3.128 -16.261 -1.438 676 H ASP 88 H ASP 88 -0.710 -13.652 0.406 677 HA ASP 88 HA ASP 88 -2.834 -13.359 1.175 678 HB2 ASP 88 1HB ASP 88 -3.566 -13.124 -1.144 679 HB3 ASP 88 2HB ASP 88 -3.648 -14.871 -1.321 680 H LYS 89 H LYS 89 -1.907 -16.549 0.123 681 HA LYS 89 HA LYS 89 -3.670 -18.143 1.576 682 HB2 LYS 89 1HB LYS 89 -0.763 -18.745 1.021 683 HB3 LYS 89 2HB LYS 89 -2.058 -19.908 1.274 684 HG2 LYS 89 1HG LYS 89 -3.033 -19.440 -0.810 685 HG3 LYS 89 2HG LYS 89 -2.089 -17.960 -1.008 686 HD2 LYS 89 1HD LYS 89 -0.035 -19.342 -1.110 687 HD3 LYS 89 2HD LYS 89 -1.043 -20.789 -1.040 688 HE2 LYS 89 1HE LYS 89 -2.111 -20.186 -3.123 689 HE3 LYS 89 2HE LYS 89 -1.225 -18.662 -3.171 690 HZ1 LYS 89 3HZ LYS 89 0.838 -19.894 -3.361 691 HZ2 LYS 89 1HZ LYS 89 -0.221 -20.330 -4.614 692 HZ3 LYS 89 2HZ LYS 89 -0.002 -21.367 -3.290 693 H ALA 90 H ALA 90 -0.914 -16.310 2.616 694 HA ALA 90 HA ALA 90 -0.313 -17.657 5.015 695 HB1 ALA 90 3HB ALA 90 0.858 -15.620 5.662 696 HB2 ALA 90 1HB ALA 90 0.061 -14.734 4.361 697 HB3 ALA 90 2HB ALA 90 1.199 -16.029 3.979 698 H GLU 91 H GLU 91 -2.820 -15.433 4.156 699 HA GLU 91 HA GLU 91 -3.987 -15.735 6.805 700 HB2 GLU 91 1HB GLU 91 -2.688 -13.597 6.799 701 HB3 GLU 91 2HB GLU 91 -3.693 -13.034 5.474 702 HG2 GLU 91 1HG GLU 91 -5.579 -12.852 6.821 703 HG3 GLU 91 2HG GLU 91 -4.901 -13.899 8.070 704 H ALA 92 H ALA 92 -5.586 -16.989 6.006 705 HA ALA 92 HA ALA 92 -6.710 -16.459 3.405 706 HB1 ALA 92 3HB ALA 92 -6.121 -18.726 4.043 707 HB2 ALA 92 1HB ALA 92 -7.847 -18.597 3.704 708 HB3 ALA 92 2HB ALA 92 -7.279 -18.667 5.372 709 HA PRO 93 HA PRO 93 -10.368 -14.529 5.168 710 HB2 PRO 93 1HB PRO 93 -11.055 -13.569 2.594 711 HB3 PRO 93 2HB PRO 93 -10.269 -12.667 3.887 712 HG2 PRO 93 1HG PRO 93 -9.114 -13.369 1.443 713 HG3 PRO 93 2HG PRO 93 -8.248 -12.810 2.882 714 HD2 PRO 93 1HD PRO 93 -8.617 -15.580 1.847 715 HD3 PRO 93 2HD PRO 93 -7.239 -14.864 2.711 716 H ASN 94 H ASN 94 -9.977 -17.232 3.440 717 HA ASN 94 HA ASN 94 -12.570 -17.504 2.218 718 HB2 ASN 94 1HB ASN 94 -11.891 -19.697 1.572 719 HB3 ASN 94 2HB ASN 94 -10.473 -18.670 1.403 720 HD21 ASN 94 2HD2 ASN 94 -10.756 -21.577 1.803 721 HD22 ASN 94 1HD2 ASN 94 -9.812 -21.946 3.207 722 H THR 95 H THR 95 -11.540 -17.562 5.337 723 HA THR 95 HA THR 95 -12.883 -19.733 6.491 724 HB THR 95 HB THR 95 -12.917 -18.122 8.532 725 HG1 THR 95 HG1 THR 95 -11.083 -16.505 7.993 726 HG21 THR 95 3HG2 THR 95 -10.525 -18.506 8.920 727 HG22 THR 95 1HG2 THR 95 -10.310 -18.892 7.213 728 HG23 THR 95 2HG2 THR 95 -11.295 -19.939 8.235 729 H ILE 96 H ILE 96 -13.946 -16.534 5.553 730 HA ILE 96 HA ILE 96 -16.522 -16.672 6.747 731 HB ILE 96 HB ILE 96 -15.648 -15.018 4.370 732 HG12 ILE 96 1HG1 ILE 96 -15.650 -14.297 7.311 733 HG13 ILE 96 2HG1 ILE 96 -14.214 -14.703 6.379 734 HG21 ILE 96 1HG2 ILE 96 -18.058 -15.116 4.597 735 HG22 ILE 96 2HG2 ILE 96 -17.476 -13.518 5.062 736 HG23 ILE 96 3HG2 ILE 96 -17.940 -14.683 6.303 737 HD11 ILE 96 3HD1 ILE 96 -14.432 -12.308 6.650 738 HD12 ILE 96 1HD1 ILE 96 -16.028 -12.351 5.898 739 HD13 ILE 96 2HD1 ILE 96 -14.596 -12.759 4.953 740 H ALA 97 H ALA 97 -15.234 -17.493 3.571 741 HA ALA 97 HA ALA 97 -17.748 -18.063 2.366 742 HB1 ALA 97 3HB ALA 97 -14.998 -19.006 1.559 743 HB2 ALA 97 1HB ALA 97 -15.747 -17.490 1.059 744 HB3 ALA 97 2HB ALA 97 -16.449 -19.028 0.555 745 H SER 98 H SER 98 -18.903 -19.909 2.299 746 HA SER 98 HA SER 98 -18.410 -21.913 4.242 747 HB2 SER 98 1HB SER 98 -20.278 -22.233 1.901 748 HB3 SER 98 2HB SER 98 -20.446 -22.874 3.535 749 HG SER 98 HG SER 98 -20.760 -20.724 4.274 750 H GLY 99 H GLY 99 -18.334 -21.990 0.680 751 HA2 GLY 99 1HA GLY 99 -16.812 -24.510 0.867 752 HA3 GLY 99 2HA GLY 99 -17.813 -24.045 -0.501 753 H SER 100 H SER 100 -14.734 -24.399 0.472 754 HA SER 100 HA SER 100 -13.725 -22.241 -1.253 755 HB2 SER 100 1HB SER 100 -12.198 -23.953 0.729 756 HB3 SER 100 2HB SER 100 -11.577 -22.550 -0.145 757 HG SER 100 HG SER 100 -13.871 -21.976 1.189 Start of MODEL 18 1 H1 MET 1 1H MET 1 -2.074 22.564 19.472 2 H2 MET 1 2H MET 1 -3.241 21.339 19.362 3 H3 MET 1 3H MET 1 -1.592 20.941 19.357 4 HA MET 1 HA MET 1 -1.341 21.703 21.602 5 HB2 MET 1 1HB MET 1 -4.302 22.280 21.384 6 HB3 MET 1 2HB MET 1 -3.417 22.242 22.902 7 HG2 MET 1 1HG MET 1 -2.061 24.100 22.219 8 HG3 MET 1 2HG MET 1 -2.790 24.091 20.614 9 HE1 MET 1 3HE MET 1 -5.142 25.138 24.453 10 HE2 MET 1 1HE MET 1 -3.438 24.678 24.456 11 HE3 MET 1 2HE MET 1 -4.672 23.495 24.018 12 H GLU 2 H GLU 2 -4.604 20.354 21.247 13 HA GLU 2 HA GLU 2 -3.741 17.955 22.634 14 HB2 GLU 2 1HB GLU 2 -6.420 19.010 21.755 15 HB3 GLU 2 2HB GLU 2 -6.233 17.360 22.328 16 HG2 GLU 2 1HG GLU 2 -7.019 18.803 24.101 17 HG3 GLU 2 2HG GLU 2 -5.411 18.187 24.469 18 H VAL 3 H VAL 3 -4.668 18.994 19.435 19 HA VAL 3 HA VAL 3 -4.148 16.263 18.450 20 HB VAL 3 HB VAL 3 -6.040 18.280 17.219 21 HG11 VAL 3 1HG1 VAL 3 -4.991 16.848 15.559 22 HG12 VAL 3 2HG1 VAL 3 -6.693 16.428 15.748 23 HG13 VAL 3 3HG1 VAL 3 -5.450 15.415 16.480 24 HG21 VAL 3 3HG2 VAL 3 -6.631 15.746 18.745 25 HG22 VAL 3 1HG2 VAL 3 -7.823 16.732 17.897 26 HG23 VAL 3 2HG2 VAL 3 -6.960 17.393 19.284 27 H GLN 4 H GLN 4 -2.247 16.235 17.458 28 HA GLN 4 HA GLN 4 -1.083 18.620 16.331 29 HB2 GLN 4 1HB GLN 4 -0.127 15.753 16.245 30 HB3 GLN 4 2HB GLN 4 0.809 17.151 15.738 31 HG2 GLN 4 1HG GLN 4 0.724 18.014 18.039 32 HG3 GLN 4 2HG GLN 4 -0.155 16.566 18.529 33 HE21 GLN 4 2HE2 GLN 4 2.437 17.569 19.420 34 HE22 GLN 4 1HE2 GLN 4 3.575 16.302 19.106 35 H SER 5 H SER 5 -2.016 15.449 14.996 36 HA SER 5 HA SER 5 -1.776 16.524 12.302 37 HB2 SER 5 1HB SER 5 -2.371 13.706 13.232 38 HB3 SER 5 2HB SER 5 -2.038 14.198 11.571 39 HG SER 5 HG SER 5 -0.066 15.121 13.086 40 H MET 6 H MET 6 -3.485 17.610 11.585 41 HA MET 6 HA MET 6 -6.180 16.782 12.286 42 HB2 MET 6 1HB MET 6 -5.128 19.044 10.584 43 HB3 MET 6 2HB MET 6 -6.840 18.724 10.821 44 HG2 MET 6 1HG MET 6 -6.606 19.112 13.203 45 HG3 MET 6 2HG MET 6 -4.873 19.373 13.003 46 HE1 MET 6 3HE MET 6 -5.273 21.659 14.374 47 HE2 MET 6 1HE MET 6 -7.019 21.415 14.404 48 HE3 MET 6 2HE MET 6 -6.352 22.944 13.831 49 H LEU 7 H LEU 7 -6.383 14.781 11.297 50 HA LEU 7 HA LEU 7 -6.127 14.625 8.402 51 HB2 LEU 7 1HB LEU 7 -5.400 12.729 9.810 52 HB3 LEU 7 2HB LEU 7 -7.038 12.555 10.409 53 HG LEU 7 HG LEU 7 -7.802 11.991 8.133 54 HD11 LEU 7 1HD1 LEU 7 -6.118 13.218 6.867 55 HD12 LEU 7 2HD1 LEU 7 -6.162 11.521 6.387 56 HD13 LEU 7 3HD1 LEU 7 -4.871 12.108 7.436 57 HD21 LEU 7 3HD2 LEU 7 -5.507 10.312 9.138 58 HD22 LEU 7 1HD2 LEU 7 -6.768 9.779 8.026 59 HD23 LEU 7 2HD2 LEU 7 -7.182 10.217 9.683 60 H LEU 8 H LEU 8 -7.842 14.560 6.999 61 HA LEU 8 HA LEU 8 -10.232 15.819 7.871 62 HB2 LEU 8 1HB LEU 8 -9.630 14.460 5.243 63 HB3 LEU 8 2HB LEU 8 -10.989 15.523 5.551 64 HG LEU 8 HG LEU 8 -8.079 16.325 5.609 65 HD11 LEU 8 1HD1 LEU 8 -10.273 16.935 3.634 66 HD12 LEU 8 2HD1 LEU 8 -8.885 15.882 3.357 67 HD13 LEU 8 3HD1 LEU 8 -8.645 17.613 3.605 68 HD21 LEU 8 3HD2 LEU 8 -10.581 17.972 5.958 69 HD22 LEU 8 1HD2 LEU 8 -8.939 18.606 5.835 70 HD23 LEU 8 2HD2 LEU 8 -9.395 17.600 7.209 71 H ASN 9 H ASN 9 -9.751 12.632 6.349 72 HA ASN 9 HA ASN 9 -11.976 11.605 7.972 73 HB2 ASN 9 1HB ASN 9 -12.765 12.243 5.668 74 HB3 ASN 9 2HB ASN 9 -11.643 11.055 5.015 75 HD21 ASN 9 2HD2 ASN 9 -13.351 9.971 4.067 76 HD22 ASN 9 1HD2 ASN 9 -14.423 8.964 4.979 77 H ASP 10 H ASP 10 -10.995 10.110 9.202 78 HA ASP 10 HA ASP 10 -8.782 8.578 8.172 79 HB2 ASP 10 1HB ASP 10 -8.777 7.482 10.403 80 HB3 ASP 10 2HB ASP 10 -8.668 9.235 10.493 81 H VAL 11 H VAL 11 -9.536 7.388 6.522 82 HA VAL 11 HA VAL 11 -11.869 5.692 6.877 83 HB VAL 11 HB VAL 11 -10.086 5.855 4.447 84 HG11 VAL 11 1HG1 VAL 11 -12.967 5.049 4.791 85 HG12 VAL 11 2HG1 VAL 11 -11.610 3.959 4.504 86 HG13 VAL 11 3HG1 VAL 11 -12.093 5.116 3.263 87 HG21 VAL 11 3HG2 VAL 11 -10.838 8.102 5.006 88 HG22 VAL 11 1HG2 VAL 11 -12.505 7.533 5.087 89 HG23 VAL 11 2HG2 VAL 11 -11.640 7.514 3.549 90 H LYS 12 H LYS 12 -11.584 3.792 7.844 91 HA LYS 12 HA LYS 12 -8.981 2.509 7.585 92 HB2 LYS 12 1HB LYS 12 -11.191 2.133 9.594 93 HB3 LYS 12 2HB LYS 12 -9.795 1.068 9.500 94 HG2 LYS 12 1HG LYS 12 -8.340 3.066 9.834 95 HG3 LYS 12 2HG LYS 12 -9.801 4.013 10.115 96 HD2 LYS 12 1HD LYS 12 -10.363 2.666 12.030 97 HD3 LYS 12 2HD LYS 12 -9.020 1.569 11.700 98 HE2 LYS 12 1HE LYS 12 -7.441 3.415 12.077 99 HE3 LYS 12 2HE LYS 12 -8.794 4.487 12.440 100 HZ1 LYS 12 3HZ LYS 12 -9.346 3.155 14.338 101 HZ2 LYS 12 1HZ LYS 12 -7.708 3.588 14.439 102 HZ3 LYS 12 2HZ LYS 12 -8.145 2.018 13.961 103 H TRP 13 H TRP 13 -8.908 0.155 7.399 104 HA TRP 13 HA TRP 13 -10.685 -0.682 5.258 105 HB2 TRP 13 1HB TRP 13 -7.985 -1.350 6.155 106 HB3 TRP 13 2HB TRP 13 -8.933 -2.764 5.713 107 HD1 TRP 13 HD1 TRP 13 -10.338 -2.171 3.170 108 HE1 TRP 13 HE1 TRP 13 -9.142 -1.461 1.010 109 HE3 TRP 13 HE3 TRP 13 -6.001 -0.383 5.201 110 HZ2 TRP 13 HZ2 TRP 13 -6.681 -0.293 0.263 111 HZ3 TRP 13 HZ3 TRP 13 -4.275 0.510 3.693 112 HH2 TRP 13 HH2 TRP 13 -4.609 0.552 1.275 113 H GLU 14 H GLU 14 -10.914 -3.265 5.356 114 HA GLU 14 HA GLU 14 -12.843 -3.906 7.263 115 HB2 GLU 14 1HB GLU 14 -11.025 -5.838 5.813 116 HB3 GLU 14 2HB GLU 14 -12.579 -6.216 6.538 117 HG2 GLU 14 1HG GLU 14 -13.653 -4.688 4.915 118 HG3 GLU 14 2HG GLU 14 -12.079 -4.461 4.147 119 H LYS 15 H LYS 15 -9.572 -5.247 7.036 120 HA LYS 15 HA LYS 15 -8.701 -4.891 9.609 121 HB2 LYS 15 1HB LYS 15 -10.547 -6.163 10.463 122 HB3 LYS 15 2HB LYS 15 -10.262 -7.461 9.318 123 HG2 LYS 15 1HG LYS 15 -8.137 -7.964 10.431 124 HG3 LYS 15 2HG LYS 15 -8.457 -6.677 11.597 125 HD2 LYS 15 1HD LYS 15 -10.417 -7.821 12.396 126 HD3 LYS 15 2HD LYS 15 -10.266 -9.043 11.134 127 HE2 LYS 15 1HE LYS 15 -8.138 -9.769 12.100 128 HE3 LYS 15 2HE LYS 15 -8.296 -8.549 13.363 129 HZ1 LYS 15 3HZ LYS 15 -10.308 -10.676 12.912 130 HZ2 LYS 15 1HZ LYS 15 -10.174 -9.645 14.248 131 HZ3 LYS 15 2HZ LYS 15 -9.007 -10.849 13.989 132 HA PRO 16 HA PRO 16 -6.077 -8.401 7.799 133 HB2 PRO 16 1HB PRO 16 -6.853 -9.874 5.701 134 HB3 PRO 16 2HB PRO 16 -7.439 -10.203 7.335 135 HG2 PRO 16 1HG PRO 16 -8.798 -8.788 5.082 136 HG3 PRO 16 2HG PRO 16 -9.470 -9.936 6.253 137 HD2 PRO 16 1HD PRO 16 -9.718 -7.194 6.425 138 HD3 PRO 16 2HD PRO 16 -9.852 -8.308 7.796 139 H VAL 17 H VAL 17 -5.213 -6.203 7.163 140 HA VAL 17 HA VAL 17 -4.609 -6.256 4.276 141 HB VAL 17 HB VAL 17 -4.317 -3.869 6.113 142 HG11 VAL 17 1HG1 VAL 17 -4.066 -2.605 4.033 143 HG12 VAL 17 2HG1 VAL 17 -4.199 -4.100 3.107 144 HG13 VAL 17 3HG1 VAL 17 -2.825 -3.849 4.183 145 HG21 VAL 17 3HG2 VAL 17 -6.512 -4.481 4.137 146 HG22 VAL 17 1HG2 VAL 17 -6.309 -2.962 5.009 147 HG23 VAL 17 2HG2 VAL 17 -6.671 -4.444 5.893 148 H THR 18 H THR 18 -2.952 -7.740 4.490 149 HA THR 18 HA THR 18 -0.756 -7.091 6.319 150 HB THR 18 HB THR 18 -0.422 -9.631 5.053 151 HG1 THR 18 HG1 THR 18 -2.366 -10.513 5.185 152 HG21 THR 18 3HG2 THR 18 -0.576 -10.447 7.359 153 HG22 THR 18 1HG2 THR 18 -1.215 -8.886 7.873 154 HG23 THR 18 2HG2 THR 18 0.435 -9.005 7.261 155 H ILE 19 H ILE 19 0.797 -5.937 5.398 156 HA ILE 19 HA ILE 19 1.505 -6.463 2.596 157 HB ILE 19 HB ILE 19 0.995 -4.105 3.284 158 HG12 ILE 19 1HG1 ILE 19 3.820 -4.624 2.333 159 HG13 ILE 19 2HG1 ILE 19 2.381 -4.542 1.320 160 HG21 ILE 19 1HG2 ILE 19 3.516 -4.401 4.910 161 HG22 ILE 19 2HG2 ILE 19 1.889 -4.094 5.521 162 HG23 ILE 19 3HG2 ILE 19 2.718 -2.868 4.557 163 HD11 ILE 19 3HD1 ILE 19 3.606 -2.298 2.899 164 HD12 ILE 19 1HD1 ILE 19 2.091 -2.188 2.005 165 HD13 ILE 19 2HD1 ILE 19 3.600 -2.490 1.145 166 H SER 20 H SER 20 3.518 -7.195 2.043 167 HA SER 20 HA SER 20 5.310 -7.824 4.284 168 HB2 SER 20 1HB SER 20 4.153 -9.814 3.240 169 HB3 SER 20 2HB SER 20 5.007 -9.448 1.743 170 HG SER 20 HG SER 20 6.710 -10.377 2.532 171 H LEU 21 H LEU 21 7.456 -7.375 4.039 172 HA LEU 21 HA LEU 21 8.225 -5.957 1.572 173 HB2 LEU 21 1HB LEU 21 8.857 -5.377 4.450 174 HB3 LEU 21 2HB LEU 21 9.917 -4.817 3.176 175 HG LEU 21 HG LEU 21 7.979 -3.575 2.194 176 HD11 LEU 21 1HD1 LEU 21 6.034 -3.152 3.597 177 HD12 LEU 21 2HD1 LEU 21 6.635 -4.301 4.792 178 HD13 LEU 21 3HD1 LEU 21 6.161 -4.863 3.189 179 HD21 LEU 21 3HD2 LEU 21 8.046 -1.778 3.851 180 HD22 LEU 21 1HD2 LEU 21 9.646 -2.463 3.564 181 HD23 LEU 21 2HD2 LEU 21 8.753 -2.890 5.023 182 H GLN 22 H GLN 22 10.692 -5.851 1.355 183 HA GLN 22 HA GLN 22 11.729 -8.479 1.205 184 HB2 GLN 22 1HB GLN 22 13.223 -5.855 1.022 185 HB3 GLN 22 2HB GLN 22 13.812 -7.418 0.478 186 HG2 GLN 22 1HG GLN 22 11.957 -7.506 -1.149 187 HG3 GLN 22 2HG GLN 22 11.481 -5.886 -0.644 188 HE21 GLN 22 2HE2 GLN 22 12.322 -6.827 -3.249 189 HE22 GLN 22 1HE2 GLN 22 13.701 -5.884 -3.687 190 H ASN 23 H ASN 23 11.580 -6.237 3.730 191 HA ASN 23 HA ASN 23 13.886 -7.126 5.192 192 HB2 ASN 23 1HB ASN 23 11.480 -5.495 6.036 193 HB3 ASN 23 2HB ASN 23 12.881 -5.798 7.057 194 HD21 ASN 23 2HD2 ASN 23 14.738 -4.657 6.731 195 HD22 ASN 23 1HD2 ASN 23 14.874 -3.354 5.595 196 H GLY 24 H GLY 24 11.054 -8.605 4.451 197 HA2 GLY 24 1HA GLY 24 10.058 -10.520 5.223 198 HA3 GLY 24 2HA GLY 24 11.411 -10.696 6.328 199 H ALA 25 H ALA 25 8.859 -8.234 6.028 200 HA ALA 25 HA ALA 25 7.930 -8.950 8.706 201 HB1 ALA 25 3HB ALA 25 8.635 -6.132 7.901 202 HB2 ALA 25 1HB ALA 25 9.565 -7.151 9.001 203 HB3 ALA 25 2HB ALA 25 7.936 -6.634 9.441 204 HA PRO 26 HA PRO 26 4.154 -8.172 6.295 205 HB2 PRO 26 1HB PRO 26 2.944 -10.181 7.975 206 HB3 PRO 26 2HB PRO 26 3.281 -10.259 6.245 207 HG2 PRO 26 1HG PRO 26 4.558 -11.798 8.115 208 HG3 PRO 26 2HG PRO 26 5.266 -11.348 6.554 209 HD2 PRO 26 1HD PRO 26 5.721 -10.143 9.260 210 HD3 PRO 26 2HD PRO 26 6.895 -10.499 7.973 211 H ARG 27 H ARG 27 3.160 -6.387 6.967 212 HA ARG 27 HA ARG 27 2.390 -6.191 9.803 213 HB2 ARG 27 1HB ARG 27 3.275 -4.116 7.837 214 HB3 ARG 27 2HB ARG 27 2.243 -3.664 9.185 215 HG2 ARG 27 1HG ARG 27 3.890 -4.518 10.753 216 HG3 ARG 27 2HG ARG 27 4.924 -5.010 9.409 217 HD2 ARG 27 1HD ARG 27 5.213 -2.734 8.721 218 HD3 ARG 27 2HD ARG 27 4.023 -2.179 9.899 219 HE ARG 27 HE ARG 27 5.567 -2.634 11.639 220 HH11 ARG 27 1HH1 ARG 27 6.896 -3.070 8.423 221 HH12 ARG 27 2HH1 ARG 27 8.547 -2.912 8.950 222 HH21 ARG 27 1HH2 ARG 27 7.727 -2.493 12.334 223 HH22 ARG 27 2HH2 ARG 27 9.018 -2.608 11.177 224 H ILE 28 H ILE 28 0.366 -5.593 10.357 225 HA ILE 28 HA ILE 28 -1.645 -5.718 8.231 226 HB ILE 28 HB ILE 28 -2.010 -5.824 11.233 227 HG12 ILE 28 1HG1 ILE 28 -2.076 -8.057 9.188 228 HG13 ILE 28 2HG1 ILE 28 -0.771 -7.770 10.335 229 HG21 ILE 28 1HG2 ILE 28 -3.977 -4.982 10.070 230 HG22 ILE 28 2HG2 ILE 28 -4.273 -6.600 10.707 231 HG23 ILE 28 3HG2 ILE 28 -3.950 -6.375 8.989 232 HD11 ILE 28 3HD1 ILE 28 -2.221 -9.570 11.075 233 HD12 ILE 28 1HD1 ILE 28 -3.610 -8.485 11.035 234 HD13 ILE 28 2HD1 ILE 28 -2.303 -8.203 12.185 235 H PHE 29 H PHE 29 -2.302 -3.839 7.427 236 HA PHE 29 HA PHE 29 -2.187 -1.405 9.001 237 HB2 PHE 29 1HB PHE 29 -3.124 -1.948 6.178 238 HB3 PHE 29 2HB PHE 29 -3.186 -0.360 6.934 239 HD1 PHE 29 HD1 PHE 29 -0.714 -0.011 8.264 240 HD2 PHE 29 HD2 PHE 29 -1.483 -2.019 4.592 241 HE1 PHE 29 HE1 PHE 29 1.594 0.436 7.542 242 HE2 PHE 29 HE2 PHE 29 0.825 -1.581 3.865 243 HZ PHE 29 HZ PHE 29 2.366 -0.352 5.340 244 H ASN 30 H ASN 30 -3.856 -0.449 10.000 245 HA ASN 30 HA ASN 30 -6.339 -1.943 10.181 246 HB2 ASN 30 1HB ASN 30 -5.606 0.655 11.557 247 HB3 ASN 30 2HB ASN 30 -6.909 -0.445 11.995 248 HD21 ASN 30 2HD2 ASN 30 -3.533 0.229 12.187 249 HD22 ASN 30 1HD2 ASN 30 -3.121 -1.070 13.269 250 H GLY 31 H GLY 31 -5.080 1.053 8.908 251 HA2 GLY 31 1HA GLY 31 -7.568 1.371 7.399 252 HA3 GLY 31 2HA GLY 31 -6.987 2.732 8.351 253 H VAL 32 H VAL 32 -7.240 3.453 5.940 254 HA VAL 32 HA VAL 32 -5.137 2.606 4.176 255 HB VAL 32 HB VAL 32 -6.987 4.962 3.802 256 HG11 VAL 32 1HG1 VAL 32 -5.121 4.920 2.264 257 HG12 VAL 32 2HG1 VAL 32 -6.608 4.510 1.412 258 HG13 VAL 32 3HG1 VAL 32 -5.466 3.241 1.850 259 HG21 VAL 32 3HG2 VAL 32 -7.442 2.074 3.052 260 HG22 VAL 32 1HG2 VAL 32 -8.462 3.431 2.572 261 HG23 VAL 32 2HG2 VAL 32 -8.326 2.988 4.275 262 H TYR 33 H TYR 33 -5.548 5.144 6.512 263 HA TYR 33 HA TYR 33 -3.686 6.967 5.382 264 HB2 TYR 33 1HB TYR 33 -5.342 7.665 7.087 265 HB3 TYR 33 2HB TYR 33 -4.481 6.705 8.290 266 HD1 TYR 33 HD1 TYR 33 -4.099 9.573 5.966 267 HD2 TYR 33 HD2 TYR 33 -2.623 7.602 9.434 268 HE1 TYR 33 HE1 TYR 33 -2.601 11.472 6.399 269 HE2 TYR 33 HE2 TYR 33 -1.122 9.499 9.881 270 HH TYR 33 HH TYR 33 -0.017 11.334 8.489 271 H GLU 34 H GLU 34 -3.413 4.427 7.837 272 HA GLU 34 HA GLU 34 -0.698 4.749 8.443 273 HB2 GLU 34 1HB GLU 34 -2.347 2.215 8.367 274 HB3 GLU 34 2HB GLU 34 -0.772 2.370 9.135 275 HG2 GLU 34 1HG GLU 34 -1.601 3.777 10.809 276 HG3 GLU 34 2HG GLU 34 -3.087 4.105 9.914 277 H ALA 35 H ALA 35 -2.315 3.003 5.856 278 HA ALA 35 HA ALA 35 -0.057 1.735 4.757 279 HB1 ALA 35 3HB ALA 35 -2.367 1.113 4.206 280 HB2 ALA 35 1HB ALA 35 -1.414 1.445 2.759 281 HB3 ALA 35 2HB ALA 35 -2.566 2.642 3.350 282 H PHE 36 H PHE 36 -1.663 4.793 3.886 283 HA PHE 36 HA PHE 36 0.149 5.534 1.865 284 HB2 PHE 36 1HB PHE 36 -2.049 6.579 2.069 285 HB3 PHE 36 2HB PHE 36 -1.598 7.277 3.619 286 HD1 PHE 36 HD2 PHE 36 -0.443 7.209 0.072 287 HD2 PHE 36 HD1 PHE 36 -0.856 9.451 3.666 288 HE1 PHE 36 HE2 PHE 36 0.440 9.198 -1.072 289 HE2 PHE 36 HE1 PHE 36 0.029 11.444 2.527 290 HZ PHE 36 HZ PHE 36 0.678 11.318 0.154 291 H ASP 37 H ASP 37 0.045 6.311 5.322 292 HA ASP 37 HA ASP 37 2.217 8.092 5.351 293 HB2 ASP 37 1HB ASP 37 0.602 7.832 7.222 294 HB3 ASP 37 2HB ASP 37 1.306 6.260 7.585 295 H PHE 38 H PHE 38 2.044 4.589 5.761 296 HA PHE 38 HA PHE 38 4.752 4.135 6.342 297 HB2 PHE 38 1HB PHE 38 2.992 2.438 6.642 298 HB3 PHE 38 2HB PHE 38 2.800 2.329 4.896 299 HD1 PHE 38 HD1 PHE 38 5.414 1.993 7.527 300 HD2 PHE 38 HD2 PHE 38 3.937 0.676 3.758 301 HE1 PHE 38 HE1 PHE 38 7.139 0.242 7.466 302 HE2 PHE 38 HE2 PHE 38 5.662 -1.075 3.692 303 HZ PHE 38 HZ PHE 38 7.264 -1.294 5.548 304 H LEU 39 H LEU 39 3.011 4.152 3.245 305 HA LEU 39 HA LEU 39 5.174 3.480 1.596 306 HB2 LEU 39 1HB LEU 39 2.780 5.207 0.964 307 HB3 LEU 39 2HB LEU 39 3.869 4.524 -0.226 308 HG LEU 39 HG LEU 39 2.073 2.948 1.620 309 HD11 LEU 39 1HD1 LEU 39 0.818 4.124 -0.083 310 HD12 LEU 39 2HD1 LEU 39 0.864 2.399 -0.450 311 HD13 LEU 39 3HD1 LEU 39 1.901 3.516 -1.336 312 HD21 LEU 39 3HD2 LEU 39 3.867 2.023 -0.624 313 HD22 LEU 39 1HD2 LEU 39 2.757 1.012 0.300 314 HD23 LEU 39 2HD2 LEU 39 4.145 1.755 1.096 315 H GLN 40 H GLN 40 3.923 6.659 2.564 316 HA GLN 40 HA GLN 40 5.809 8.142 1.057 317 HB2 GLN 40 1HB GLN 40 3.665 9.080 1.835 318 HB3 GLN 40 2HB GLN 40 4.233 8.985 3.496 319 HG2 GLN 40 1HG GLN 40 6.007 10.575 2.992 320 HG3 GLN 40 2HG GLN 40 5.463 10.658 1.317 321 HE21 GLN 40 2HE2 GLN 40 5.690 12.746 3.350 322 HE22 GLN 40 1HE2 GLN 40 4.109 13.449 3.479 323 H HIS 41 H HIS 41 5.769 6.930 4.362 324 HA HIS 41 HA HIS 41 8.059 8.362 5.246 325 HB2 HIS 41 1HB HIS 41 6.524 6.016 6.285 326 HB3 HIS 41 2HB HIS 41 8.106 6.372 6.967 327 HD1 HIS 41 HD1 HIS 41 7.117 6.997 9.243 328 HD2 HIS 41 HD2 HIS 41 5.712 9.330 6.100 329 HE1 HIS 41 HE1 HIS 41 5.926 8.936 10.315 330 HE2 HIS 41 HE2 HIS 41 4.871 10.176 8.391 331 H GLU 42 H GLU 42 7.689 4.891 4.459 332 HA GLU 42 HA GLU 42 10.270 4.887 3.202 333 HB2 GLU 42 1HB GLU 42 10.917 4.772 5.561 334 HB3 GLU 42 2HB GLU 42 9.901 3.353 5.775 335 HG2 GLU 42 1HG GLU 42 11.284 2.093 4.243 336 HG3 GLU 42 2HG GLU 42 12.271 3.520 3.930 337 H TRP 43 H TRP 43 8.866 4.201 1.505 338 HA TRP 43 HA TRP 43 8.267 1.333 1.616 339 HB2 TRP 43 1HB TRP 43 6.528 2.775 0.638 340 HB3 TRP 43 2HB TRP 43 7.683 3.391 -0.535 341 HD1 TRP 43 HD1 TRP 43 7.382 2.337 -2.825 342 HE1 TRP 43 HE1 TRP 43 6.568 0.077 -3.752 343 HE3 TRP 43 HE3 TRP 43 6.427 -0.059 1.600 344 HZ2 TRP 43 HZ2 TRP 43 5.639 -2.384 -2.742 345 HZ3 TRP 43 HZ3 TRP 43 5.581 -2.360 1.522 346 HH2 TRP 43 HH2 TRP 43 5.188 -3.498 -0.598 347 HA PRO 44 HA PRO 44 12.456 1.045 0.109 348 HB2 PRO 44 1HB PRO 44 12.703 -1.630 0.287 349 HB3 PRO 44 2HB PRO 44 12.667 -0.589 1.717 350 HG2 PRO 44 1HG PRO 44 10.456 -2.200 0.494 351 HG3 PRO 44 2HG PRO 44 10.918 -2.054 2.200 352 HD2 PRO 44 1HD PRO 44 8.864 -0.653 1.117 353 HD3 PRO 44 2HD PRO 44 9.857 -0.026 2.447 354 H ALA 45 H ALA 45 10.206 1.130 -1.847 355 HA ALA 45 HA ALA 45 11.643 -0.163 -4.022 356 HB1 ALA 45 3HB ALA 45 9.956 -1.813 -3.386 357 HB2 ALA 45 1HB ALA 45 9.610 -1.132 -4.975 358 HB3 ALA 45 2HB ALA 45 8.691 -0.598 -3.567 359 H ARG 46 H ARG 46 11.708 1.099 -5.784 360 HA ARG 46 HA ARG 46 9.775 3.293 -6.028 361 HB2 ARG 46 1HB ARG 46 12.786 3.545 -6.061 362 HB3 ARG 46 2HB ARG 46 11.713 4.786 -6.694 363 HG2 ARG 46 1HG ARG 46 10.995 5.424 -4.625 364 HG3 ARG 46 2HG ARG 46 11.261 3.829 -3.919 365 HD2 ARG 46 1HD ARG 46 13.413 5.791 -4.708 366 HD3 ARG 46 2HD ARG 46 12.858 5.479 -3.061 367 HE ARG 46 HE ARG 46 14.334 3.587 -4.779 368 HH11 ARG 46 1HH1 ARG 46 13.205 4.596 -1.610 369 HH12 ARG 46 2HH1 ARG 46 14.106 3.377 -0.755 370 HH21 ARG 46 1HH2 ARG 46 15.491 1.966 -3.665 371 HH22 ARG 46 2HH2 ARG 46 15.403 1.878 -1.931 372 H GLY 47 H GLY 47 9.704 4.210 -8.202 373 HA2 GLY 47 1HA GLY 47 11.060 3.007 -10.377 374 HA3 GLY 47 2HA GLY 47 9.497 2.235 -10.157 375 H ASP 48 H ASP 48 7.645 3.295 -10.756 376 HA ASP 48 HA ASP 48 7.829 6.071 -11.588 377 HB2 ASP 48 1HB ASP 48 8.617 4.812 -13.551 378 HB3 ASP 48 2HB ASP 48 7.125 3.881 -13.553 379 H ARG 49 H ARG 49 5.381 4.070 -13.023 380 HA ARG 49 HA ARG 49 3.411 5.745 -11.778 381 HB2 ARG 49 1HB ARG 49 3.282 3.603 -13.873 382 HB3 ARG 49 2HB ARG 49 1.818 4.284 -13.178 383 HG2 ARG 49 1HG ARG 49 2.436 6.491 -13.930 384 HG3 ARG 49 2HG ARG 49 3.978 5.883 -14.535 385 HD2 ARG 49 1HD ARG 49 2.803 4.473 -16.137 386 HD3 ARG 49 2HD ARG 49 1.253 5.038 -15.513 387 HE ARG 49 HE ARG 49 2.263 7.342 -16.230 388 HH11 ARG 49 1HH1 ARG 49 2.503 4.286 -17.914 389 HH12 ARG 49 2HH1 ARG 49 2.610 5.014 -19.490 390 HH21 ARG 49 1HH2 ARG 49 2.391 8.313 -18.288 391 HH22 ARG 49 2HH2 ARG 49 2.548 7.314 -19.702 392 H ALA 50 H ALA 50 4.436 2.413 -11.395 393 HA ALA 50 HA ALA 50 2.197 1.476 -9.975 394 HB1 ALA 50 3HB ALA 50 5.074 0.623 -9.668 395 HB2 ALA 50 1HB ALA 50 3.933 -0.012 -10.853 396 HB3 ALA 50 2HB ALA 50 3.658 -0.282 -9.132 397 H HIS 51 H HIS 51 4.945 3.392 -9.009 398 HA HIS 51 HA HIS 51 4.400 3.219 -6.188 399 HB2 HIS 51 1HB HIS 51 6.670 3.674 -7.246 400 HB3 HIS 51 2HB HIS 51 6.082 5.291 -7.609 401 HD1 HIS 51 HD1 HIS 51 6.027 6.985 -5.699 402 HD2 HIS 51 HD2 HIS 51 7.133 3.157 -4.501 403 HE1 HIS 51 HE1 HIS 51 6.914 7.233 -3.358 404 HE2 HIS 51 HE2 HIS 51 7.819 4.953 -2.769 405 H GLU 52 H GLU 52 3.854 5.547 -8.795 406 HA GLU 52 HA GLU 52 2.678 7.596 -7.279 407 HB2 GLU 52 1HB GLU 52 2.196 6.823 -10.165 408 HB3 GLU 52 2HB GLU 52 1.661 8.327 -9.429 409 HG2 GLU 52 1HG GLU 52 3.985 8.948 -9.007 410 HG3 GLU 52 2HG GLU 52 4.521 7.441 -9.746 411 H GLN 53 H GLN 53 1.190 4.887 -9.045 412 HA GLN 53 HA GLN 53 -1.480 5.500 -8.528 413 HB2 GLN 53 1HB GLN 53 -0.109 2.859 -8.997 414 HB3 GLN 53 2HB GLN 53 -1.852 2.996 -8.807 415 HG2 GLN 53 1HG GLN 53 -1.919 4.525 -10.730 416 HG3 GLN 53 2HG GLN 53 -0.181 4.308 -10.938 417 HE21 GLN 53 2HE2 GLN 53 -2.426 3.683 -12.719 418 HE22 GLN 53 1HE2 GLN 53 -2.274 2.005 -13.097 419 H ALA 54 H ALA 54 0.791 3.543 -6.629 420 HA ALA 54 HA ALA 54 -0.958 2.633 -4.673 421 HB1 ALA 54 3HB ALA 54 1.931 3.413 -4.296 422 HB2 ALA 54 1HB ALA 54 1.358 1.855 -4.892 423 HB3 ALA 54 2HB ALA 54 0.989 2.358 -3.241 424 H LEU 55 H LEU 55 0.879 5.663 -4.814 425 HA LEU 55 HA LEU 55 -0.009 6.655 -2.310 426 HB2 LEU 55 1HB LEU 55 0.936 8.188 -4.735 427 HB3 LEU 55 2HB LEU 55 0.807 8.827 -3.107 428 HG LEU 55 HG LEU 55 2.686 6.639 -4.002 429 HD11 LEU 55 1HD1 LEU 55 4.435 8.288 -3.569 430 HD12 LEU 55 2HD1 LEU 55 3.206 9.496 -3.198 431 HD13 LEU 55 3HD1 LEU 55 3.328 8.834 -4.828 432 HD21 LEU 55 3HD2 LEU 55 1.955 6.304 -1.704 433 HD22 LEU 55 1HD2 LEU 55 2.375 7.972 -1.315 434 HD23 LEU 55 2HD2 LEU 55 3.639 6.824 -1.757 435 H ARG 56 H ARG 56 -1.217 7.001 -5.608 436 HA ARG 56 HA ARG 56 -3.185 8.956 -5.047 437 HB2 ARG 56 1HB ARG 56 -3.031 6.932 -7.290 438 HB3 ARG 56 2HB ARG 56 -4.152 8.286 -7.239 439 HG2 ARG 56 1HG ARG 56 -2.302 9.852 -7.271 440 HG3 ARG 56 2HG ARG 56 -1.151 8.516 -7.245 441 HD2 ARG 56 1HD ARG 56 -2.022 7.739 -9.404 442 HD3 ARG 56 2HD ARG 56 -3.149 9.096 -9.430 443 HE ARG 56 HE ARG 56 -0.796 10.347 -9.163 444 HH11 ARG 56 1HH1 ARG 56 -1.871 7.870 -11.403 445 HH12 ARG 56 2HH1 ARG 56 -0.748 8.345 -12.649 446 HH21 ARG 56 1HH2 ARG 56 0.662 10.959 -10.781 447 HH22 ARG 56 2HH2 ARG 56 0.710 10.081 -12.278 448 H LEU 57 H LEU 57 -3.357 5.422 -5.309 449 HA LEU 57 HA LEU 57 -6.113 5.128 -4.953 450 HB2 LEU 57 1HB LEU 57 -3.857 3.288 -4.162 451 HB3 LEU 57 2HB LEU 57 -5.548 2.827 -4.177 452 HG LEU 57 HG LEU 57 -4.089 3.782 -6.637 453 HD11 LEU 57 1HD1 LEU 57 -3.910 1.434 -7.275 454 HD12 LEU 57 2HD1 LEU 57 -4.576 0.953 -5.715 455 HD13 LEU 57 3HD1 LEU 57 -3.011 1.762 -5.793 456 HD21 LEU 57 3HD2 LEU 57 -6.675 2.275 -6.255 457 HD22 LEU 57 1HD2 LEU 57 -5.953 2.715 -7.803 458 HD23 LEU 57 2HD2 LEU 57 -6.524 3.973 -6.707 459 H CYS 58 H CYS 58 -3.503 5.334 -2.584 460 HA CYS 58 HA CYS 58 -5.083 4.738 -0.327 461 HB2 CYS 58 1HB CYS 58 -2.520 6.323 -0.525 462 HB3 CYS 58 2HB CYS 58 -3.234 5.741 0.974 463 HG CYS 58 HG CYS 58 -1.710 3.956 -1.484 464 H ARG 59 H ARG 59 -4.127 7.870 -1.759 465 HA ARG 59 HA ARG 59 -5.436 9.372 0.278 466 HB2 ARG 59 1HB ARG 59 -4.542 10.255 -2.469 467 HB3 ARG 59 2HB ARG 59 -5.055 11.327 -1.173 468 HG2 ARG 59 1HG ARG 59 -3.155 10.052 0.146 469 HG3 ARG 59 2HG ARG 59 -2.540 9.789 -1.486 470 HD2 ARG 59 1HD ARG 59 -3.174 12.446 -0.208 471 HD3 ARG 59 2HD ARG 59 -1.570 11.794 -0.526 472 HE ARG 59 HE ARG 59 -2.905 11.879 -2.967 473 HH11 ARG 59 1HH1 ARG 59 -1.744 14.116 -0.522 474 HH12 ARG 59 2HH1 ARG 59 -1.565 15.440 -1.635 475 HH21 ARG 59 1HH2 ARG 59 -2.663 13.623 -4.430 476 HH22 ARG 59 2HH2 ARG 59 -2.085 15.158 -3.857 477 H ALA 60 H ALA 60 -6.411 8.143 -2.860 478 HA ALA 60 HA ALA 60 -8.827 9.573 -3.109 479 HB1 ALA 60 3HB ALA 60 -8.187 6.796 -4.109 480 HB2 ALA 60 1HB ALA 60 -7.828 8.303 -4.954 481 HB3 ALA 60 2HB ALA 60 -9.503 7.827 -4.671 482 H SER 61 H SER 61 -8.075 6.460 -1.597 483 HA SER 61 HA SER 61 -10.692 5.799 -0.825 484 HB2 SER 61 1HB SER 61 -8.097 5.040 0.533 485 HB3 SER 61 2HB SER 61 -9.645 4.210 0.706 486 HG SER 61 HG SER 61 -7.891 4.288 -1.494 487 H LEU 62 H LEU 62 -8.224 7.788 0.698 488 HA LEU 62 HA LEU 62 -9.499 8.039 3.216 489 HB2 LEU 62 1HB LEU 62 -7.445 9.742 1.820 490 HB3 LEU 62 2HB LEU 62 -8.016 10.078 3.443 491 HG LEU 62 HG LEU 62 -6.623 7.539 2.588 492 HD11 LEU 62 1HD1 LEU 62 -5.120 9.457 2.554 493 HD12 LEU 62 2HD1 LEU 62 -4.743 8.383 3.902 494 HD13 LEU 62 3HD1 LEU 62 -5.619 9.887 4.190 495 HD21 LEU 62 3HD2 LEU 62 -8.186 7.186 4.425 496 HD22 LEU 62 1HD2 LEU 62 -7.464 8.529 5.311 497 HD23 LEU 62 2HD2 LEU 62 -6.519 7.074 4.990 498 H MET 63 H MET 63 -10.169 9.439 0.171 499 HA MET 63 HA MET 63 -11.722 11.604 1.385 500 HB2 MET 63 1HB MET 63 -11.043 10.994 -1.494 501 HB3 MET 63 2HB MET 63 -12.090 12.315 -0.994 502 HG2 MET 63 1HG MET 63 -10.241 13.290 0.278 503 HG3 MET 63 2HG MET 63 -9.195 11.972 -0.245 504 HE1 MET 63 3HE MET 63 -10.145 11.545 -3.242 505 HE2 MET 63 1HE MET 63 -8.445 11.590 -2.772 506 HE3 MET 63 2HE MET 63 -9.016 12.582 -4.114 507 H GLY 64 H GLY 64 -12.113 8.429 0.471 508 HA2 GLY 64 1HA GLY 64 -14.142 7.255 0.797 509 HA3 GLY 64 2HA GLY 64 -15.025 8.744 0.495 510 H ASP 65 H ASP 65 -12.601 8.387 -1.772 511 HA ASP 65 HA ASP 65 -14.410 8.030 -3.919 512 HB2 ASP 65 1HB ASP 65 -11.403 7.954 -3.748 513 HB3 ASP 65 2HB ASP 65 -12.259 7.701 -5.264 514 H VAL 66 H VAL 66 -12.481 5.845 -2.046 515 HA VAL 66 HA VAL 66 -13.382 3.616 -3.743 516 HB VAL 66 HB VAL 66 -10.816 3.725 -2.142 517 HG11 VAL 66 1HG1 VAL 66 -11.839 1.674 -4.102 518 HG12 VAL 66 2HG1 VAL 66 -11.725 1.477 -2.356 519 HG13 VAL 66 3HG1 VAL 66 -10.260 1.653 -3.319 520 HG21 VAL 66 3HG2 VAL 66 -11.215 3.934 -5.127 521 HG22 VAL 66 1HG2 VAL 66 -9.662 3.835 -4.298 522 HG23 VAL 66 2HG2 VAL 66 -10.703 5.237 -4.054 523 H ALA 67 H ALA 67 -14.417 1.985 -2.747 524 HA ALA 67 HA ALA 67 -15.237 2.373 -0.009 525 HB1 ALA 67 3HB ALA 67 -16.812 1.676 -1.755 526 HB2 ALA 67 1HB ALA 67 -16.755 0.527 -0.419 527 HB3 ALA 67 2HB ALA 67 -15.930 0.160 -1.935 528 H GLY 68 H GLY 68 -12.403 1.499 -0.695 529 HA2 GLY 68 1HA GLY 68 -10.897 0.403 0.717 530 HA3 GLY 68 2HA GLY 68 -12.241 -0.469 1.435 531 H GLU 69 H GLU 69 -13.384 -1.614 -0.806 532 HA GLU 69 HA GLU 69 -11.947 -3.970 -1.070 533 HB2 GLU 69 1HB GLU 69 -14.035 -2.806 -2.918 534 HB3 GLU 69 2HB GLU 69 -13.466 -4.466 -2.987 535 HG2 GLU 69 1HG GLU 69 -14.369 -4.933 -0.823 536 HG3 GLU 69 2HG GLU 69 -14.778 -3.235 -0.578 537 H ILE 70 H ILE 70 -12.421 -1.586 -3.673 538 HA ILE 70 HA ILE 70 -10.653 -2.711 -5.499 539 HB ILE 70 HB ILE 70 -11.337 0.217 -5.173 540 HG12 ILE 70 1HG1 ILE 70 -12.639 -1.913 -6.888 541 HG13 ILE 70 2HG1 ILE 70 -13.321 -1.239 -5.410 542 HG21 ILE 70 1HG2 ILE 70 -10.273 -1.280 -7.565 543 HG22 ILE 70 2HG2 ILE 70 -9.388 -0.108 -6.589 544 HG23 ILE 70 3HG2 ILE 70 -10.775 0.411 -7.549 545 HD11 ILE 70 3HD1 ILE 70 -14.331 -0.255 -7.389 546 HD12 ILE 70 1HD1 ILE 70 -12.746 0.288 -7.940 547 HD13 ILE 70 2HD1 ILE 70 -13.442 0.955 -6.464 548 H ALA 71 H ALA 71 -10.067 -0.475 -2.860 549 HA ALA 71 HA ALA 71 -7.416 0.211 -3.589 550 HB1 ALA 71 3HB ALA 71 -8.771 1.603 -2.099 551 HB2 ALA 71 1HB ALA 71 -7.240 1.148 -1.349 552 HB3 ALA 71 2HB ALA 71 -8.731 0.332 -0.877 553 H ARG 72 H ARG 72 -8.826 -2.362 -1.627 554 HA ARG 72 HA ARG 72 -6.408 -3.147 -0.373 555 HB2 ARG 72 1HB ARG 72 -8.679 -3.744 0.451 556 HB3 ARG 72 2HB ARG 72 -8.856 -4.835 -0.916 557 HG2 ARG 72 1HG ARG 72 -6.947 -6.142 -0.111 558 HG3 ARG 72 2HG ARG 72 -6.797 -5.055 1.272 559 HD2 ARG 72 1HD ARG 72 -9.058 -5.670 1.989 560 HD3 ARG 72 2HD ARG 72 -9.193 -6.765 0.614 561 HE ARG 72 HE ARG 72 -7.040 -7.176 2.563 562 HH11 ARG 72 1HH1 ARG 72 -10.039 -8.232 1.110 563 HH12 ARG 72 2HH1 ARG 72 -9.938 -9.843 1.759 564 HH21 ARG 72 1HH2 ARG 72 -6.907 -9.282 3.436 565 HH22 ARG 72 2HH2 ARG 72 -8.163 -10.438 3.096 566 H THR 73 H THR 73 -8.104 -4.377 -3.259 567 HA THR 73 HA THR 73 -6.202 -6.417 -3.767 568 HB THR 73 HB THR 73 -7.320 -6.440 -6.050 569 HG1 THR 73 HG1 THR 73 -9.160 -5.176 -6.294 570 HG21 THR 73 3HG2 THR 73 -9.066 -6.685 -3.601 571 HG22 THR 73 1HG2 THR 73 -7.993 -7.934 -4.237 572 HG23 THR 73 2HG2 THR 73 -9.394 -7.413 -5.174 573 H ALA 74 H ALA 74 -6.697 -3.148 -5.036 574 HA ALA 74 HA ALA 74 -4.656 -3.256 -6.984 575 HB1 ALA 74 3HB ALA 74 -6.459 -1.603 -7.030 576 HB2 ALA 74 1HB ALA 74 -4.870 -0.841 -7.094 577 HB3 ALA 74 2HB ALA 74 -5.789 -0.838 -5.589 578 H PHE 75 H PHE 75 -4.657 -2.361 -3.576 579 HA PHE 75 HA PHE 75 -2.077 -1.241 -3.473 580 HB2 PHE 75 1HB PHE 75 -3.821 -1.107 -1.658 581 HB3 PHE 75 2HB PHE 75 -3.438 -2.777 -1.251 582 HD1 PHE 75 HD2 PHE 75 -1.311 -3.346 -0.211 583 HD2 PHE 75 HD1 PHE 75 -2.316 0.683 -1.139 584 HE1 PHE 75 HE2 PHE 75 0.512 -2.562 1.239 585 HE2 PHE 75 HE1 PHE 75 -0.500 1.475 0.315 586 HZ PHE 75 HZ PHE 75 0.917 -0.143 1.505 587 H VAL 76 H VAL 76 -3.225 -4.560 -2.971 588 HA VAL 76 HA VAL 76 -0.755 -5.737 -2.370 589 HB VAL 76 HB VAL 76 -3.137 -6.962 -3.780 590 HG11 VAL 76 1HG1 VAL 76 -0.797 -8.306 -2.427 591 HG12 VAL 76 2HG1 VAL 76 -1.141 -8.300 -4.157 592 HG13 VAL 76 3HG1 VAL 76 -2.234 -9.122 -3.045 593 HG21 VAL 76 3HG2 VAL 76 -2.340 -6.961 -0.871 594 HG22 VAL 76 1HG2 VAL 76 -3.702 -7.843 -1.560 595 HG23 VAL 76 2HG2 VAL 76 -3.691 -6.079 -1.583 596 H ALA 77 H ALA 77 -2.321 -5.062 -5.459 597 HA ALA 77 HA ALA 77 -0.462 -6.393 -7.108 598 HB1 ALA 77 3HB ALA 77 -1.409 -5.095 -8.932 599 HB2 ALA 77 1HB ALA 77 -2.189 -4.015 -7.777 600 HB3 ALA 77 2HB ALA 77 -2.682 -5.705 -7.875 601 H ALA 78 H ALA 78 -0.620 -3.033 -5.974 602 HA ALA 78 HA ALA 78 1.653 -2.150 -7.438 603 HB1 ALA 78 3HB ALA 78 0.433 -0.981 -4.940 604 HB2 ALA 78 1HB ALA 78 -0.057 -0.613 -6.595 605 HB3 ALA 78 2HB ALA 78 1.553 -0.167 -6.032 606 H SER 79 H SER 79 1.220 -3.651 -4.321 607 HA SER 79 HA SER 79 3.806 -2.996 -3.307 608 HB2 SER 79 1HB SER 79 1.852 -5.119 -2.400 609 HB3 SER 79 2HB SER 79 3.250 -4.549 -1.487 610 HG SER 79 HG SER 79 0.933 -3.086 -2.223 611 H ARG 80 H ARG 80 2.953 -5.048 -5.759 612 HA ARG 80 HA ARG 80 4.481 -7.356 -5.174 613 HB2 ARG 80 1HB ARG 80 4.051 -8.059 -7.343 614 HB3 ARG 80 2HB ARG 80 2.698 -6.987 -7.021 615 HG2 ARG 80 1HG ARG 80 3.897 -5.189 -8.237 616 HG3 ARG 80 2HG ARG 80 5.151 -6.362 -8.650 617 HD2 ARG 80 1HD ARG 80 3.243 -7.779 -9.606 618 HD3 ARG 80 2HD ARG 80 2.270 -6.315 -9.497 619 HE ARG 80 HE ARG 80 4.801 -6.192 -10.971 620 HH11 ARG 80 1HH1 ARG 80 1.305 -6.182 -10.985 621 HH12 ARG 80 2HH1 ARG 80 1.175 -5.738 -12.658 622 HH21 ARG 80 1HH2 ARG 80 4.644 -5.605 -13.179 623 HH22 ARG 80 2HH2 ARG 80 3.082 -5.415 -13.907 624 H GLN 81 H GLN 81 5.412 -4.193 -5.920 625 HA GLN 81 HA GLN 81 7.847 -4.489 -7.242 626 HB2 GLN 81 1HB GLN 81 7.039 -2.540 -5.079 627 HB3 GLN 81 2HB GLN 81 8.525 -2.410 -6.006 628 HG2 GLN 81 1HG GLN 81 7.237 -2.164 -8.054 629 HG3 GLN 81 2HG GLN 81 5.739 -2.315 -7.134 630 HE21 GLN 81 2HE2 GLN 81 6.814 -0.124 -8.786 631 HE22 GLN 81 1HE2 GLN 81 6.814 1.265 -7.756 632 H ALA 82 H ALA 82 6.991 -4.990 -3.877 633 HA ALA 82 HA ALA 82 9.663 -5.193 -2.909 634 HB1 ALA 82 3HB ALA 82 7.786 -4.580 -1.460 635 HB2 ALA 82 1HB ALA 82 8.647 -5.991 -0.846 636 HB3 ALA 82 2HB ALA 82 7.101 -6.191 -1.671 637 H HIS 83 H HIS 83 7.654 -7.291 -4.665 638 HA HIS 83 HA HIS 83 7.775 -9.466 -5.296 639 HB2 HIS 83 1HB HIS 83 10.640 -8.928 -4.560 640 HB3 HIS 83 2HB HIS 83 10.129 -10.525 -5.098 641 HD1 HIS 83 HD1 HIS 83 11.727 -7.767 -6.455 642 HD2 HIS 83 HD2 HIS 83 8.453 -10.017 -7.681 643 HE1 HIS 83 HE1 HIS 83 11.525 -7.379 -8.930 644 HE2 HIS 83 HE2 HIS 83 9.733 -8.989 -9.672 645 H CYS 84 H CYS 84 6.836 -8.929 -2.692 646 HA CYS 84 HA CYS 84 7.013 -11.553 -1.581 647 HB2 CYS 84 1HB CYS 84 9.053 -10.385 -0.644 648 HB3 CYS 84 2HB CYS 84 7.957 -9.267 0.161 649 HG CYS 84 HG CYS 84 8.129 -12.642 0.719 650 H LEU 85 H LEU 85 4.856 -11.698 -1.722 651 HA LEU 85 HA LEU 85 3.272 -9.834 -0.073 652 HB2 LEU 85 1HB LEU 85 2.388 -11.337 -2.547 653 HB3 LEU 85 2HB LEU 85 1.376 -10.290 -1.572 654 HG LEU 85 HG LEU 85 3.801 -9.359 -3.108 655 HD11 LEU 85 1HD1 LEU 85 2.198 -8.368 -4.662 656 HD12 LEU 85 2HD1 LEU 85 0.871 -9.122 -3.779 657 HD13 LEU 85 3HD1 LEU 85 2.052 -10.125 -4.622 658 HD21 LEU 85 3HD2 LEU 85 2.902 -7.126 -2.662 659 HD22 LEU 85 1HD2 LEU 85 3.284 -7.981 -1.166 660 HD23 LEU 85 2HD2 LEU 85 1.608 -7.841 -1.699 661 H MET 86 H MET 86 1.070 -11.015 0.527 662 HA MET 86 HA MET 86 1.668 -13.438 1.867 663 HB2 MET 86 1HB MET 86 -0.888 -11.993 1.279 664 HB3 MET 86 2HB MET 86 -0.923 -13.605 1.981 665 HG2 MET 86 1HG MET 86 0.629 -12.676 3.769 666 HG3 MET 86 2HG MET 86 0.206 -11.083 3.140 667 HE1 MET 86 3HE MET 86 -1.099 -14.351 4.868 668 HE2 MET 86 1HE MET 86 -2.068 -14.302 3.394 669 HE3 MET 86 2HE MET 86 -2.834 -14.046 4.962 670 H GLU 87 H GLU 87 0.285 -12.706 -1.268 671 HA GLU 87 HA GLU 87 0.204 -15.555 -1.902 672 HB2 GLU 87 1HB GLU 87 -0.640 -13.132 -3.504 673 HB3 GLU 87 2HB GLU 87 -0.667 -14.773 -4.130 674 HG2 GLU 87 1HG GLU 87 -2.224 -15.373 -2.275 675 HG3 GLU 87 2HG GLU 87 -2.292 -13.660 -1.859 676 H ASP 88 H ASP 88 2.581 -15.491 -1.483 677 HA ASP 88 HA ASP 88 3.977 -15.013 -4.006 678 HB2 ASP 88 1HB ASP 88 4.409 -13.055 -2.530 679 HB3 ASP 88 2HB ASP 88 5.071 -14.149 -1.319 680 H LYS 89 H LYS 89 5.316 -16.624 -4.536 681 HA LYS 89 HA LYS 89 5.608 -18.785 -2.578 682 HB2 LYS 89 1HB LYS 89 5.839 -18.764 -5.587 683 HB3 LYS 89 2HB LYS 89 6.238 -20.159 -4.592 684 HG2 LYS 89 1HG LYS 89 3.932 -20.181 -3.737 685 HG3 LYS 89 2HG LYS 89 3.546 -18.826 -4.800 686 HD2 LYS 89 1HD LYS 89 3.998 -20.161 -6.750 687 HD3 LYS 89 2HD LYS 89 4.582 -21.495 -5.750 688 HE2 LYS 89 1HE LYS 89 2.341 -21.985 -6.473 689 HE3 LYS 89 2HE LYS 89 2.328 -21.665 -4.740 690 HZ1 LYS 89 3HZ LYS 89 1.761 -19.266 -5.511 691 HZ2 LYS 89 1HZ LYS 89 0.542 -20.447 -5.470 692 HZ3 LYS 89 2HZ LYS 89 1.270 -20.029 -6.941 693 H ALA 90 H ALA 90 7.460 -18.942 -1.549 694 HA ALA 90 HA ALA 90 9.843 -17.615 -2.294 695 HB1 ALA 90 3HB ALA 90 10.898 -18.916 -0.513 696 HB2 ALA 90 1HB ALA 90 9.470 -19.947 -0.415 697 HB3 ALA 90 2HB ALA 90 9.358 -18.242 0.020 698 H GLU 91 H GLU 91 8.453 -20.661 -3.094 699 HA GLU 91 HA GLU 91 10.771 -21.905 -4.190 700 HB2 GLU 91 1HB GLU 91 7.881 -22.387 -4.942 701 HB3 GLU 91 2HB GLU 91 9.227 -23.501 -5.132 702 HG2 GLU 91 1HG GLU 91 8.077 -22.560 -2.516 703 HG3 GLU 91 2HG GLU 91 7.788 -24.125 -3.272 704 H ALA 92 H ALA 92 11.268 -22.132 -6.453 705 HA ALA 92 HA ALA 92 10.204 -19.903 -8.056 706 HB1 ALA 92 3HB ALA 92 12.890 -21.245 -8.277 707 HB2 ALA 92 1HB ALA 92 12.577 -19.675 -7.539 708 HB3 ALA 92 2HB ALA 92 12.314 -19.905 -9.268 709 HA PRO 93 HA PRO 93 8.681 -23.436 -10.447 710 HB2 PRO 93 1HB PRO 93 6.757 -21.541 -11.513 711 HB3 PRO 93 2HB PRO 93 6.465 -22.963 -10.509 712 HG2 PRO 93 1HG PRO 93 6.099 -20.410 -9.629 713 HG3 PRO 93 2HG PRO 93 6.522 -21.760 -8.561 714 HD2 PRO 93 1HD PRO 93 8.282 -19.625 -9.710 715 HD3 PRO 93 2HD PRO 93 8.282 -20.330 -8.077 716 H ASN 94 H ASN 94 8.807 -23.881 -12.658 717 HA ASN 94 HA ASN 94 10.271 -21.858 -14.205 718 HB2 ASN 94 1HB ASN 94 10.001 -24.844 -14.633 719 HB3 ASN 94 2HB ASN 94 10.892 -23.756 -15.693 720 HD21 ASN 94 2HD2 ASN 94 11.810 -22.153 -13.371 721 HD22 ASN 94 1HD2 ASN 94 13.073 -23.083 -12.644 722 H THR 95 H THR 95 7.471 -23.973 -14.266 723 HA THR 95 HA THR 95 6.515 -22.621 -16.682 724 HB THR 95 HB THR 95 4.617 -24.334 -16.459 725 HG1 THR 95 HG1 THR 95 4.762 -25.372 -14.596 726 HG21 THR 95 3HG2 THR 95 7.426 -25.310 -16.989 727 HG22 THR 95 1HG2 THR 95 6.379 -24.493 -18.149 728 HG23 THR 95 2HG2 THR 95 5.943 -26.089 -17.540 729 H ILE 96 H ILE 96 5.328 -20.873 -16.386 730 HA ILE 96 HA ILE 96 3.749 -20.643 -13.909 731 HB ILE 96 HB ILE 96 5.234 -18.392 -15.281 732 HG12 ILE 96 1HG1 ILE 96 5.803 -19.744 -12.630 733 HG13 ILE 96 2HG1 ILE 96 6.729 -19.991 -14.107 734 HG21 ILE 96 1HG2 ILE 96 3.174 -17.647 -14.224 735 HG22 ILE 96 2HG2 ILE 96 4.573 -17.068 -13.320 736 HG23 ILE 96 3HG2 ILE 96 3.641 -18.438 -12.718 737 HD11 ILE 96 3HD1 ILE 96 7.378 -17.639 -14.090 738 HD12 ILE 96 1HD1 ILE 96 7.856 -18.457 -12.603 739 HD13 ILE 96 2HD1 ILE 96 6.450 -17.394 -12.611 740 H ALA 97 H ALA 97 1.731 -20.952 -14.626 741 HA ALA 97 HA ALA 97 0.789 -19.751 -17.083 742 HB1 ALA 97 3HB ALA 97 -0.730 -21.212 -14.920 743 HB2 ALA 97 1HB ALA 97 -0.062 -21.936 -16.382 744 HB3 ALA 97 2HB ALA 97 -1.364 -20.752 -16.500 745 H SER 98 H SER 98 0.832 -17.557 -16.916 746 HA SER 98 HA SER 98 0.102 -16.204 -14.505 747 HB2 SER 98 1HB SER 98 0.311 -14.144 -16.004 748 HB3 SER 98 2HB SER 98 1.758 -15.130 -15.805 749 HG SER 98 HG SER 98 1.749 -15.512 -17.864 750 H GLY 99 H GLY 99 -1.861 -15.796 -13.832 751 HA2 GLY 99 1HA GLY 99 -3.954 -15.230 -15.823 752 HA3 GLY 99 2HA GLY 99 -4.250 -16.410 -14.553 753 H SER 100 H SER 100 -5.720 -15.486 -13.302 754 HA SER 100 HA SER 100 -6.674 -14.117 -11.781 755 HB2 SER 100 1HB SER 100 -3.892 -12.957 -11.493 756 HB3 SER 100 2HB SER 100 -5.217 -12.787 -10.338 757 HG SER 100 HG SER 100 -5.189 -15.150 -10.234 Start of MODEL 19 1 H1 MET 1 1H MET 1 -11.787 13.373 -3.465 2 H2 MET 1 2H MET 1 -10.920 12.455 -4.579 3 H3 MET 1 3H MET 1 -12.559 12.128 -4.319 4 HA MET 1 HA MET 1 -12.303 13.303 -6.374 5 HB2 MET 1 1HB MET 1 -13.376 15.096 -4.175 6 HB3 MET 1 2HB MET 1 -13.718 15.276 -5.890 7 HG2 MET 1 1HG MET 1 -14.859 13.144 -5.916 8 HG3 MET 1 2HG MET 1 -14.458 12.888 -4.218 9 HE1 MET 1 3HE MET 1 -16.995 12.408 -3.655 10 HE2 MET 1 1HE MET 1 -17.422 12.646 -5.348 11 HE3 MET 1 2HE MET 1 -18.319 13.491 -4.087 12 H GLU 2 H GLU 2 -12.002 15.725 -7.138 13 HA GLU 2 HA GLU 2 -9.279 16.394 -6.915 14 HB2 GLU 2 1HB GLU 2 -10.612 17.074 -8.828 15 HB3 GLU 2 2HB GLU 2 -11.646 18.055 -7.801 16 HG2 GLU 2 1HG GLU 2 -9.760 19.522 -7.303 17 HG3 GLU 2 2HG GLU 2 -8.724 18.533 -8.332 18 H VAL 3 H VAL 3 -12.159 17.768 -5.409 19 HA VAL 3 HA VAL 3 -10.641 19.565 -3.749 20 HB VAL 3 HB VAL 3 -13.563 18.811 -3.560 21 HG11 VAL 3 1HG1 VAL 3 -12.032 21.146 -2.423 22 HG12 VAL 3 2HG1 VAL 3 -12.739 19.811 -1.514 23 HG13 VAL 3 3HG1 VAL 3 -13.784 20.950 -2.361 24 HG21 VAL 3 3HG2 VAL 3 -13.986 20.889 -4.799 25 HG22 VAL 3 1HG2 VAL 3 -13.062 19.725 -5.751 26 HG23 VAL 3 2HG2 VAL 3 -12.247 21.101 -5.009 27 H GLN 4 H GLN 4 -9.494 18.769 -2.119 28 HA GLN 4 HA GLN 4 -10.694 16.641 -0.483 29 HB2 GLN 4 1HB GLN 4 -7.793 17.369 -0.892 30 HB3 GLN 4 2HB GLN 4 -8.351 16.232 0.326 31 HG2 GLN 4 1HG GLN 4 -9.348 14.867 -1.493 32 HG3 GLN 4 2HG GLN 4 -8.603 15.963 -2.657 33 HE21 GLN 4 2HE2 GLN 4 -8.201 13.097 -2.167 34 HE22 GLN 4 1HE2 GLN 4 -6.513 12.908 -1.874 35 H SER 5 H SER 5 -10.668 16.848 1.753 36 HA SER 5 HA SER 5 -10.796 19.546 2.716 37 HB2 SER 5 1HB SER 5 -11.267 18.294 4.921 38 HB3 SER 5 2HB SER 5 -12.431 18.089 3.612 39 HG SER 5 HG SER 5 -10.553 16.275 4.649 40 H MET 6 H MET 6 -9.437 20.484 4.275 41 HA MET 6 HA MET 6 -6.706 19.748 4.154 42 HB2 MET 6 1HB MET 6 -7.580 22.065 4.596 43 HB3 MET 6 2HB MET 6 -8.015 21.531 6.215 44 HG2 MET 6 1HG MET 6 -5.700 21.077 6.727 45 HG3 MET 6 2HG MET 6 -5.229 21.492 5.081 46 HE1 MET 6 3HE MET 6 -3.764 22.776 7.536 47 HE2 MET 6 1HE MET 6 -3.700 24.467 7.040 48 HE3 MET 6 2HE MET 6 -3.422 23.190 5.857 49 H LEU 7 H LEU 7 -9.328 18.964 6.276 50 HA LEU 7 HA LEU 7 -7.611 17.523 8.126 51 HB2 LEU 7 1HB LEU 7 -9.615 18.692 8.958 52 HB3 LEU 7 2HB LEU 7 -10.625 17.687 7.936 53 HG LEU 7 HG LEU 7 -9.890 15.696 9.214 54 HD11 LEU 7 1HD1 LEU 7 -7.735 16.485 9.979 55 HD12 LEU 7 2HD1 LEU 7 -8.738 16.036 11.360 56 HD13 LEU 7 3HD1 LEU 7 -8.508 17.737 10.951 57 HD21 LEU 7 3HD2 LEU 7 -11.968 16.834 9.783 58 HD22 LEU 7 1HD2 LEU 7 -11.093 17.911 10.872 59 HD23 LEU 7 2HD2 LEU 7 -11.190 16.186 11.226 60 H LEU 8 H LEU 8 -6.939 15.527 7.691 61 HA LEU 8 HA LEU 8 -8.086 14.009 5.529 62 HB2 LEU 8 1HB LEU 8 -5.893 13.312 7.484 63 HB3 LEU 8 2HB LEU 8 -6.347 12.337 6.099 64 HG LEU 8 HG LEU 8 -5.204 15.131 5.984 65 HD11 LEU 8 1HD1 LEU 8 -3.555 13.487 6.665 66 HD12 LEU 8 2HD1 LEU 8 -3.241 14.031 5.017 67 HD13 LEU 8 3HD1 LEU 8 -3.988 12.458 5.300 68 HD21 LEU 8 3HD2 LEU 8 -5.920 13.211 3.767 69 HD22 LEU 8 1HD2 LEU 8 -5.084 14.750 3.565 70 HD23 LEU 8 2HD2 LEU 8 -6.748 14.721 4.145 71 H ASN 9 H ASN 9 -9.127 12.017 5.687 72 HA ASN 9 HA ASN 9 -10.590 11.725 8.206 73 HB2 ASN 9 1HB ASN 9 -11.229 10.531 5.499 74 HB3 ASN 9 2HB ASN 9 -12.269 10.527 6.919 75 HD21 ASN 9 2HD2 ASN 9 -11.081 12.336 4.246 76 HD22 ASN 9 1HD2 ASN 9 -12.082 13.729 4.463 77 H ASP 10 H ASP 10 -10.664 9.847 9.343 78 HA ASP 10 HA ASP 10 -8.569 7.926 8.819 79 HB2 ASP 10 1HB ASP 10 -10.615 8.161 11.030 80 HB3 ASP 10 2HB ASP 10 -9.467 6.832 10.924 81 H VAL 11 H VAL 11 -9.087 6.764 7.040 82 HA VAL 11 HA VAL 11 -11.714 5.491 6.931 83 HB VAL 11 HB VAL 11 -9.559 5.611 4.813 84 HG11 VAL 11 1HG1 VAL 11 -10.987 3.649 4.562 85 HG12 VAL 11 2HG1 VAL 11 -11.311 4.824 3.287 86 HG13 VAL 11 3HG1 VAL 11 -12.424 4.669 4.647 87 HG21 VAL 11 3HG2 VAL 11 -11.034 7.231 3.710 88 HG22 VAL 11 1HG2 VAL 11 -10.483 7.809 5.283 89 HG23 VAL 11 2HG2 VAL 11 -12.119 7.178 5.098 90 H LYS 12 H LYS 12 -11.818 3.626 7.948 91 HA LYS 12 HA LYS 12 -9.531 1.896 8.223 92 HB2 LYS 12 1HB LYS 12 -11.091 2.094 10.081 93 HB3 LYS 12 2HB LYS 12 -12.423 1.577 9.058 94 HG2 LYS 12 1HG LYS 12 -11.298 -0.616 8.791 95 HG3 LYS 12 2HG LYS 12 -10.076 -0.084 9.946 96 HD2 LYS 12 1HD LYS 12 -11.746 0.149 11.671 97 HD3 LYS 12 2HD LYS 12 -13.031 -0.228 10.522 98 HE2 LYS 12 1HE LYS 12 -10.809 -2.083 11.367 99 HE3 LYS 12 2HE LYS 12 -12.481 -2.158 11.919 100 HZ1 LYS 12 3HZ LYS 12 -12.193 -3.758 10.199 101 HZ2 LYS 12 1HZ LYS 12 -11.490 -2.617 9.157 102 HZ3 LYS 12 2HZ LYS 12 -13.129 -2.494 9.559 103 H TRP 13 H TRP 13 -9.287 -0.141 7.287 104 HA TRP 13 HA TRP 13 -10.609 -0.477 4.744 105 HB2 TRP 13 1HB TRP 13 -8.185 -1.452 6.003 106 HB3 TRP 13 2HB TRP 13 -9.081 -2.762 5.238 107 HD1 TRP 13 HD1 TRP 13 -10.114 -1.541 2.641 108 HE1 TRP 13 HE1 TRP 13 -8.530 -0.716 0.797 109 HE3 TRP 13 HE3 TRP 13 -5.903 -0.855 5.449 110 HZ2 TRP 13 HZ2 TRP 13 -5.841 0.112 0.556 111 HZ3 TRP 13 HZ3 TRP 13 -3.864 -0.046 4.334 112 HH2 TRP 13 HH2 TRP 13 -3.834 0.427 1.938 113 H GLU 14 H GLU 14 -11.992 -2.089 4.164 114 HA GLU 14 HA GLU 14 -13.700 -3.264 6.062 115 HB2 GLU 14 1HB GLU 14 -13.125 -4.301 3.278 116 HB3 GLU 14 2HB GLU 14 -14.588 -4.549 4.216 117 HG2 GLU 14 1HG GLU 14 -15.193 -2.244 4.001 118 HG3 GLU 14 2HG GLU 14 -13.648 -1.868 3.235 119 H LYS 15 H LYS 15 -11.075 -4.581 4.137 120 HA LYS 15 HA LYS 15 -10.633 -6.652 6.162 121 HB2 LYS 15 1HB LYS 15 -10.679 -6.914 3.159 122 HB3 LYS 15 2HB LYS 15 -9.813 -8.066 4.169 123 HG2 LYS 15 1HG LYS 15 -11.709 -9.008 4.973 124 HG3 LYS 15 2HG LYS 15 -12.619 -7.499 4.907 125 HD2 LYS 15 1HD LYS 15 -11.818 -9.014 2.434 126 HD3 LYS 15 2HD LYS 15 -13.324 -9.335 3.296 127 HE2 LYS 15 1HE LYS 15 -13.902 -6.921 3.037 128 HE3 LYS 15 2HE LYS 15 -12.470 -6.738 2.027 129 HZ1 LYS 15 3HZ LYS 15 -13.378 -8.288 0.449 130 HZ2 LYS 15 1HZ LYS 15 -14.515 -7.062 0.736 131 HZ3 LYS 15 2HZ LYS 15 -14.725 -8.583 1.445 132 HA PRO 16 HA PRO 16 -6.927 -4.098 6.359 133 HB2 PRO 16 1HB PRO 16 -6.215 -6.380 8.142 134 HB3 PRO 16 2HB PRO 16 -6.071 -4.643 8.425 135 HG2 PRO 16 1HG PRO 16 -8.025 -6.023 9.566 136 HG3 PRO 16 2HG PRO 16 -8.332 -4.403 8.911 137 HD2 PRO 16 1HD PRO 16 -9.053 -7.074 7.789 138 HD3 PRO 16 2HD PRO 16 -9.958 -5.547 7.740 139 H VAL 17 H VAL 17 -4.814 -4.236 5.608 140 HA VAL 17 HA VAL 17 -4.335 -6.581 3.886 141 HB VAL 17 HB VAL 17 -3.213 -3.793 3.558 142 HG11 VAL 17 1HG1 VAL 17 -3.236 -6.165 1.694 143 HG12 VAL 17 2HG1 VAL 17 -1.833 -5.512 2.540 144 HG13 VAL 17 3HG1 VAL 17 -2.638 -4.553 1.296 145 HG21 VAL 17 3HG2 VAL 17 -5.633 -3.759 3.291 146 HG22 VAL 17 1HG2 VAL 17 -5.536 -5.088 2.136 147 HG23 VAL 17 2HG2 VAL 17 -4.829 -3.522 1.739 148 H THR 18 H THR 18 -2.675 -7.849 4.334 149 HA THR 18 HA THR 18 -0.669 -7.058 6.283 150 HB THR 18 HB THR 18 -0.884 -9.665 4.770 151 HG1 THR 18 HG1 THR 18 -2.828 -9.229 5.912 152 HG21 THR 18 3HG2 THR 18 1.253 -9.309 5.900 153 HG22 THR 18 1HG2 THR 18 0.322 -10.568 6.709 154 HG23 THR 18 2HG2 THR 18 0.408 -8.951 7.405 155 H ILE 19 H ILE 19 1.069 -5.972 5.648 156 HA ILE 19 HA ILE 19 2.307 -6.628 3.043 157 HB ILE 19 HB ILE 19 2.023 -3.984 4.463 158 HG12 ILE 19 1HG1 ILE 19 0.322 -4.700 2.788 159 HG13 ILE 19 2HG1 ILE 19 1.159 -3.213 2.349 160 HG21 ILE 19 1HG2 ILE 19 3.613 -2.993 2.878 161 HG22 ILE 19 2HG2 ILE 19 4.008 -4.606 2.284 162 HG23 ILE 19 3HG2 ILE 19 4.383 -4.164 3.949 163 HD11 ILE 19 3HD1 ILE 19 2.583 -4.464 0.825 164 HD12 ILE 19 1HD1 ILE 19 0.875 -4.656 0.427 165 HD13 ILE 19 2HD1 ILE 19 1.739 -5.952 1.255 166 H SER 20 H SER 20 4.459 -7.107 3.043 167 HA SER 20 HA SER 20 5.756 -7.321 5.654 168 HB2 SER 20 1HB SER 20 5.639 -9.327 4.150 169 HB3 SER 20 2HB SER 20 6.658 -8.463 3.000 170 HG SER 20 HG SER 20 8.351 -8.834 4.207 171 H LEU 21 H LEU 21 7.026 -5.700 6.242 172 HA LEU 21 HA LEU 21 8.075 -3.778 4.416 173 HB2 LEU 21 1HB LEU 21 8.674 -4.329 7.322 174 HB3 LEU 21 2HB LEU 21 9.430 -3.032 6.422 175 HG LEU 21 HG LEU 21 7.140 -2.078 6.020 176 HD11 LEU 21 1HD1 LEU 21 5.324 -2.797 7.488 177 HD12 LEU 21 2HD1 LEU 21 6.325 -4.125 8.075 178 HD13 LEU 21 3HD1 LEU 21 5.814 -4.085 6.387 179 HD21 LEU 21 3HD2 LEU 21 8.013 -2.384 8.888 180 HD22 LEU 21 1HD2 LEU 21 6.945 -1.128 8.259 181 HD23 LEU 21 2HD2 LEU 21 8.628 -1.199 7.735 182 H GLN 22 H GLN 22 10.475 -3.269 4.348 183 HA GLN 22 HA GLN 22 11.815 -5.422 3.156 184 HB2 GLN 22 1HB GLN 22 12.805 -2.758 4.146 185 HB3 GLN 22 2HB GLN 22 13.855 -3.910 3.331 186 HG2 GLN 22 1HG GLN 22 12.315 -3.859 1.388 187 HG3 GLN 22 2HG GLN 22 11.395 -2.596 2.202 188 HE21 GLN 22 2HE2 GLN 22 13.718 -1.305 3.337 189 HE22 GLN 22 1HE2 GLN 22 14.531 -0.507 2.030 190 H ASN 23 H ASN 23 11.678 -4.467 6.471 191 HA ASN 23 HA ASN 23 14.059 -5.789 7.323 192 HB2 ASN 23 1HB ASN 23 11.606 -4.976 8.895 193 HB3 ASN 23 2HB ASN 23 13.103 -5.566 9.606 194 HD21 ASN 23 2HD2 ASN 23 11.766 -3.037 9.992 195 HD22 ASN 23 1HD2 ASN 23 12.898 -1.809 9.529 196 H GLY 24 H GLY 24 11.042 -6.928 6.308 197 HA2 GLY 24 1HA GLY 24 10.407 -9.174 6.113 198 HA3 GLY 24 2HA GLY 24 11.672 -9.609 7.256 199 H ALA 25 H ALA 25 8.772 -7.564 7.257 200 HA ALA 25 HA ALA 25 7.755 -9.023 9.561 201 HB1 ALA 25 3HB ALA 25 7.370 -6.990 10.853 202 HB2 ALA 25 1HB ALA 25 8.155 -6.031 9.599 203 HB3 ALA 25 2HB ALA 25 9.089 -7.207 10.526 204 HA PRO 26 HA PRO 26 4.185 -8.166 6.955 205 HB2 PRO 26 1HB PRO 26 2.789 -10.150 8.523 206 HB3 PRO 26 2HB PRO 26 3.338 -10.258 6.850 207 HG2 PRO 26 1HG PRO 26 4.391 -11.737 8.898 208 HG3 PRO 26 2HG PRO 26 5.281 -11.311 7.426 209 HD2 PRO 26 1HD PRO 26 5.397 -10.054 10.142 210 HD3 PRO 26 2HD PRO 26 6.714 -10.403 9.000 211 H ARG 27 H ARG 27 3.559 -6.166 7.671 212 HA ARG 27 HA ARG 27 2.105 -5.997 10.203 213 HB2 ARG 27 1HB ARG 27 3.239 -3.963 8.322 214 HB3 ARG 27 2HB ARG 27 1.952 -3.505 9.428 215 HG2 ARG 27 1HG ARG 27 3.383 -4.346 11.299 216 HG3 ARG 27 2HG ARG 27 4.685 -4.538 10.123 217 HD2 ARG 27 1HD ARG 27 4.796 -2.397 11.358 218 HD3 ARG 27 2HD ARG 27 4.646 -2.190 9.613 219 HE ARG 27 HE ARG 27 2.074 -2.128 10.634 220 HH11 ARG 27 1HH1 ARG 27 5.008 -0.280 11.110 221 HH12 ARG 27 2HH1 ARG 27 4.173 1.230 11.335 222 HH21 ARG 27 1HH2 ARG 27 0.964 -0.174 10.946 223 HH22 ARG 27 2HH2 ARG 27 1.856 1.296 11.245 224 H ILE 28 H ILE 28 -0.016 -5.922 10.310 225 HA ILE 28 HA ILE 28 -1.545 -5.965 7.831 226 HB ILE 28 HB ILE 28 -2.532 -6.374 10.662 227 HG12 ILE 28 1HG1 ILE 28 -1.720 -8.443 8.602 228 HG13 ILE 28 2HG1 ILE 28 -0.814 -8.045 10.057 229 HG21 ILE 28 1HG2 ILE 28 -4.278 -5.775 9.090 230 HG22 ILE 28 2HG2 ILE 28 -4.433 -7.468 9.560 231 HG23 ILE 28 3HG2 ILE 28 -3.752 -7.047 7.988 232 HD11 ILE 28 3HD1 ILE 28 -2.083 -10.098 10.328 233 HD12 ILE 28 1HD1 ILE 28 -3.579 -9.234 9.978 234 HD13 ILE 28 2HD1 ILE 28 -2.657 -8.848 11.432 235 H PHE 29 H PHE 29 -2.197 -4.063 7.061 236 HA PHE 29 HA PHE 29 -2.440 -1.760 8.803 237 HB2 PHE 29 1HB PHE 29 -3.029 -1.984 5.842 238 HB3 PHE 29 2HB PHE 29 -2.881 -0.493 6.764 239 HD1 PHE 29 HD2 PHE 29 -0.540 -0.454 8.178 240 HD2 PHE 29 HD1 PHE 29 -1.270 -2.488 4.513 241 HE1 PHE 29 HE2 PHE 29 1.868 -0.406 7.673 242 HE2 PHE 29 HE1 PHE 29 1.131 -2.439 4.003 243 HZ PHE 29 HZ PHE 29 2.703 -1.403 5.575 244 H ASN 30 H ASN 30 -4.215 -1.264 9.848 245 HA ASN 30 HA ASN 30 -6.692 -2.653 9.262 246 HB2 ASN 30 1HB ASN 30 -6.200 -0.536 11.367 247 HB3 ASN 30 2HB ASN 30 -7.500 -1.721 11.330 248 HD21 ASN 30 2HD2 ASN 30 -4.122 -1.177 11.928 249 HD22 ASN 30 1HD2 ASN 30 -3.826 -2.670 12.758 250 H GLY 31 H GLY 31 -5.235 0.428 8.749 251 HA2 GLY 31 1HA GLY 31 -7.702 1.354 7.448 252 HA3 GLY 31 2HA GLY 31 -6.900 2.399 8.613 253 H VAL 32 H VAL 32 -7.351 3.114 5.952 254 HA VAL 32 HA VAL 32 -5.210 2.577 4.213 255 HB VAL 32 HB VAL 32 -6.956 5.046 4.276 256 HG11 VAL 32 1HG1 VAL 32 -5.395 3.816 2.006 257 HG12 VAL 32 2HG1 VAL 32 -4.955 5.281 2.882 258 HG13 VAL 32 3HG1 VAL 32 -6.426 5.244 1.913 259 HG21 VAL 32 3HG2 VAL 32 -8.310 3.033 4.200 260 HG22 VAL 32 1HG2 VAL 32 -7.352 2.414 2.856 261 HG23 VAL 32 2HG2 VAL 32 -8.349 3.852 2.639 262 H TYR 33 H TYR 33 -5.590 4.901 6.794 263 HA TYR 33 HA TYR 33 -3.558 6.689 6.076 264 HB2 TYR 33 1HB TYR 33 -5.217 7.217 7.798 265 HB3 TYR 33 2HB TYR 33 -4.538 5.973 8.845 266 HD1 TYR 33 HD2 TYR 33 -3.624 9.120 7.073 267 HD2 TYR 33 HD1 TYR 33 -2.848 6.523 10.354 268 HE1 TYR 33 HE2 TYR 33 -2.035 10.762 7.994 269 HE2 TYR 33 HE1 TYR 33 -1.258 8.154 11.279 270 HH TYR 33 HH TYR 33 0.126 9.997 10.525 271 H GLU 34 H GLU 34 -3.445 3.696 7.978 272 HA GLU 34 HA GLU 34 -0.781 3.911 8.851 273 HB2 GLU 34 1HB GLU 34 -2.366 1.405 8.238 274 HB3 GLU 34 2HB GLU 34 -0.875 1.466 9.165 275 HG2 GLU 34 1HG GLU 34 -2.045 2.924 10.810 276 HG3 GLU 34 2HG GLU 34 -3.539 2.634 9.920 277 H ALA 35 H ALA 35 -2.221 2.567 5.951 278 HA ALA 35 HA ALA 35 0.198 1.519 4.878 279 HB1 ALA 35 3HB ALA 35 -1.094 1.103 2.880 280 HB2 ALA 35 1HB ALA 35 -2.375 2.172 3.450 281 HB3 ALA 35 2HB ALA 35 -2.048 0.661 4.300 282 H PHE 36 H PHE 36 -1.703 4.463 4.275 283 HA PHE 36 HA PHE 36 -0.132 5.479 2.185 284 HB2 PHE 36 1HB PHE 36 -2.367 6.346 2.730 285 HB3 PHE 36 2HB PHE 36 -1.748 7.009 4.238 286 HD1 PHE 36 HD2 PHE 36 -1.220 7.178 0.556 287 HD2 PHE 36 HD1 PHE 36 -1.009 9.198 4.296 288 HE1 PHE 36 HE2 PHE 36 -0.654 9.269 -0.611 289 HE2 PHE 36 HE1 PHE 36 -0.445 11.293 3.136 290 HZ PHE 36 HZ PHE 36 -0.265 11.331 0.681 291 H ASP 37 H ASP 37 0.080 5.982 5.689 292 HA ASP 37 HA ASP 37 2.294 7.707 5.683 293 HB2 ASP 37 1HB ASP 37 1.018 7.395 7.705 294 HB3 ASP 37 2HB ASP 37 1.383 5.672 7.731 295 H PHE 38 H PHE 38 2.123 4.175 5.986 296 HA PHE 38 HA PHE 38 4.815 3.571 6.142 297 HB2 PHE 38 1HB PHE 38 3.250 1.828 6.495 298 HB3 PHE 38 2HB PHE 38 2.487 2.087 4.931 299 HD1 PHE 38 HD2 PHE 38 5.851 1.214 6.310 300 HD2 PHE 38 HD1 PHE 38 2.922 0.563 3.289 301 HE1 PHE 38 HE2 PHE 38 7.256 -0.550 5.326 302 HE2 PHE 38 HE1 PHE 38 4.322 -1.196 2.303 303 HZ PHE 38 HZ PHE 38 6.488 -1.759 3.318 304 H LEU 39 H LEU 39 2.834 4.106 3.266 305 HA LEU 39 HA LEU 39 4.669 3.419 1.297 306 HB2 LEU 39 1HB LEU 39 2.540 5.551 1.257 307 HB3 LEU 39 2HB LEU 39 3.394 4.981 -0.163 308 HG LEU 39 HG LEU 39 1.613 3.291 1.592 309 HD11 LEU 39 1HD1 LEU 39 0.083 3.333 -0.309 310 HD12 LEU 39 2HD1 LEU 39 1.162 4.442 -1.156 311 HD13 LEU 39 3HD1 LEU 39 0.360 4.952 0.331 312 HD21 LEU 39 3HD2 LEU 39 1.848 1.619 -0.169 313 HD22 LEU 39 1HD2 LEU 39 3.411 2.008 0.550 314 HD23 LEU 39 2HD2 LEU 39 2.976 2.670 -1.026 315 H GLN 40 H GLN 40 4.192 6.542 2.910 316 HA GLN 40 HA GLN 40 6.156 7.837 1.272 317 HB2 GLN 40 1HB GLN 40 4.703 8.734 3.761 318 HB3 GLN 40 2HB GLN 40 5.828 9.752 2.872 319 HG2 GLN 40 1HG GLN 40 4.409 9.578 0.886 320 HG3 GLN 40 2HG GLN 40 3.275 8.575 1.790 321 HE21 GLN 40 2HE2 GLN 40 2.939 11.193 0.485 322 HE22 GLN 40 1HE2 GLN 40 2.343 12.255 1.715 323 H HIS 41 H HIS 41 6.279 5.976 4.133 324 HA HIS 41 HA HIS 41 8.800 7.113 5.000 325 HB2 HIS 41 1HB HIS 41 7.126 4.823 6.001 326 HB3 HIS 41 2HB HIS 41 8.763 5.085 6.590 327 HD1 HIS 41 HD1 HIS 41 9.009 6.681 8.493 328 HD2 HIS 41 HD2 HIS 41 5.375 7.112 6.525 329 HE1 HIS 41 HE1 HIS 41 7.673 8.302 9.878 330 HE2 HIS 41 HE2 HIS 41 5.396 8.345 8.785 331 H GLU 42 H GLU 42 7.808 3.825 3.948 332 HA GLU 42 HA GLU 42 10.217 3.596 2.385 333 HB2 GLU 42 1HB GLU 42 10.933 3.153 4.758 334 HB3 GLU 42 2HB GLU 42 9.887 1.742 4.741 335 HG2 GLU 42 1HG GLU 42 11.192 0.768 2.942 336 HG3 GLU 42 2HG GLU 42 12.217 2.202 2.895 337 H TRP 43 H TRP 43 8.415 3.340 0.872 338 HA TRP 43 HA TRP 43 7.111 0.738 0.906 339 HB2 TRP 43 1HB TRP 43 5.795 2.626 0.145 340 HB3 TRP 43 2HB TRP 43 7.006 3.036 -1.061 341 HD1 TRP 43 HD1 TRP 43 6.197 2.434 -3.381 342 HE1 TRP 43 HE1 TRP 43 4.796 0.557 -4.441 343 HE3 TRP 43 HE3 TRP 43 5.123 -0.272 0.829 344 HZ2 TRP 43 HZ2 TRP 43 3.423 -1.754 -3.615 345 HZ3 TRP 43 HZ3 TRP 43 3.763 -2.305 0.600 346 HH2 TRP 43 HH2 TRP 43 2.931 -3.030 -1.575 347 HA PRO 44 HA PRO 44 10.725 -1.211 -0.862 348 HB2 PRO 44 1HB PRO 44 8.595 -3.173 -1.586 349 HB3 PRO 44 2HB PRO 44 10.176 -3.450 -0.849 350 HG2 PRO 44 1HG PRO 44 7.975 -3.502 0.637 351 HG3 PRO 44 2HG PRO 44 9.466 -2.761 1.251 352 HD2 PRO 44 1HD PRO 44 6.972 -1.469 0.261 353 HD3 PRO 44 2HD PRO 44 8.097 -0.939 1.529 354 H ALA 45 H ALA 45 7.683 -0.965 -2.705 355 HA ALA 45 HA ALA 45 9.076 -1.453 -5.195 356 HB1 ALA 45 3HB ALA 45 6.202 -0.649 -4.750 357 HB2 ALA 45 1HB ALA 45 6.798 -2.304 -4.889 358 HB3 ALA 45 2HB ALA 45 6.908 -1.209 -6.267 359 H ARG 46 H ARG 46 10.550 0.222 -5.255 360 HA ARG 46 HA ARG 46 9.492 2.951 -5.380 361 HB2 ARG 46 1HB ARG 46 11.929 3.587 -5.196 362 HB3 ARG 46 2HB ARG 46 11.256 2.759 -3.798 363 HG2 ARG 46 1HG ARG 46 12.217 0.631 -4.736 364 HG3 ARG 46 2HG ARG 46 13.076 1.635 -5.906 365 HD2 ARG 46 1HD ARG 46 14.241 2.781 -4.145 366 HD3 ARG 46 2HD ARG 46 13.285 1.951 -2.916 367 HE ARG 46 HE ARG 46 15.103 0.501 -4.734 368 HH11 ARG 46 1HH1 ARG 46 13.970 1.280 -1.516 369 HH12 ARG 46 2HH1 ARG 46 14.882 0.025 -0.745 370 HH21 ARG 46 1HH2 ARG 46 16.314 -1.167 -3.719 371 HH22 ARG 46 2HH2 ARG 46 16.207 -1.374 -1.995 372 H GLY 47 H GLY 47 10.011 4.337 -7.076 373 HA2 GLY 47 1HA GLY 47 11.580 3.991 -9.266 374 HA3 GLY 47 2HA GLY 47 10.152 3.029 -9.642 375 H ASP 48 H ASP 48 8.299 4.036 -10.285 376 HA ASP 48 HA ASP 48 7.922 6.847 -9.689 377 HB2 ASP 48 1HB ASP 48 9.159 7.022 -11.768 378 HB3 ASP 48 2HB ASP 48 8.075 5.872 -12.547 379 H ARG 49 H ARG 49 6.496 4.763 -12.179 380 HA ARG 49 HA ARG 49 3.898 5.718 -11.578 381 HB2 ARG 49 1HB ARG 49 4.700 4.994 -13.817 382 HB3 ARG 49 2HB ARG 49 4.678 3.333 -13.252 383 HG2 ARG 49 1HG ARG 49 2.352 3.268 -13.156 384 HG3 ARG 49 2HG ARG 49 2.212 5.030 -13.166 385 HD2 ARG 49 1HD ARG 49 2.973 5.117 -15.456 386 HD3 ARG 49 2HD ARG 49 3.261 3.379 -15.461 387 HE ARG 49 HE ARG 49 0.971 3.003 -15.636 388 HH11 ARG 49 1HH1 ARG 49 1.633 6.431 -15.249 389 HH12 ARG 49 2HH1 ARG 49 0.092 6.922 -15.871 390 HH21 ARG 49 1HH2 ARG 49 -1.050 3.663 -16.480 391 HH22 ARG 49 2HH2 ARG 49 -1.435 5.358 -16.576 392 H ALA 50 H ALA 50 5.628 2.771 -10.709 393 HA ALA 50 HA ALA 50 3.355 1.395 -9.665 394 HB1 ALA 50 3HB ALA 50 5.394 0.214 -10.320 395 HB2 ALA 50 1HB ALA 50 4.984 -0.110 -8.635 396 HB3 ALA 50 2HB ALA 50 6.282 1.018 -9.026 397 H HIS 51 H HIS 51 5.827 3.474 -8.293 398 HA HIS 51 HA HIS 51 4.937 3.290 -5.593 399 HB2 HIS 51 1HB HIS 51 7.233 3.975 -6.275 400 HB3 HIS 51 2HB HIS 51 6.569 5.455 -6.952 401 HD1 HIS 51 HD1 HIS 51 6.335 7.400 -5.409 402 HD2 HIS 51 HD2 HIS 51 7.003 3.829 -3.385 403 HE1 HIS 51 HE1 HIS 51 6.734 8.041 -3.009 404 HE2 HIS 51 HE2 HIS 51 7.395 5.890 -1.873 405 H GLU 52 H GLU 52 4.504 5.608 -8.209 406 HA GLU 52 HA GLU 52 2.966 7.552 -7.008 407 HB2 GLU 52 1HB GLU 52 3.822 7.819 -9.232 408 HB3 GLU 52 2HB GLU 52 2.916 6.429 -9.807 409 HG2 GLU 52 1HG GLU 52 0.825 7.676 -9.370 410 HG3 GLU 52 2HG GLU 52 1.801 9.086 -8.950 411 H GLN 53 H GLN 53 1.775 4.715 -8.807 412 HA GLN 53 HA GLN 53 -0.932 5.160 -8.527 413 HB2 GLN 53 1HB GLN 53 0.079 3.439 -9.980 414 HB3 GLN 53 2HB GLN 53 0.462 2.480 -8.557 415 HG2 GLN 53 1HG GLN 53 -1.911 2.254 -8.058 416 HG3 GLN 53 2HG GLN 53 -2.305 3.236 -9.467 417 HE21 GLN 53 2HE2 GLN 53 -0.157 2.039 -11.060 418 HE22 GLN 53 1HE2 GLN 53 -0.716 0.464 -11.497 419 H ALA 54 H ALA 54 1.195 3.333 -6.348 420 HA ALA 54 HA ALA 54 -0.715 2.402 -4.562 421 HB1 ALA 54 3HB ALA 54 1.103 2.151 -2.971 422 HB2 ALA 54 1HB ALA 54 2.117 3.225 -3.934 423 HB3 ALA 54 2HB ALA 54 1.622 1.663 -4.585 424 H LEU 55 H LEU 55 1.118 5.457 -4.451 425 HA LEU 55 HA LEU 55 -0.133 6.317 -2.031 426 HB2 LEU 55 1HB LEU 55 1.632 7.648 -4.046 427 HB3 LEU 55 2HB LEU 55 0.822 8.609 -2.826 428 HG LEU 55 HG LEU 55 1.916 7.132 -1.087 429 HD11 LEU 55 1HD1 LEU 55 3.543 6.241 -3.459 430 HD12 LEU 55 2HD1 LEU 55 2.471 5.234 -2.485 431 HD13 LEU 55 3HD1 LEU 55 3.929 5.920 -1.769 432 HD21 LEU 55 3HD2 LEU 55 2.708 9.381 -1.590 433 HD22 LEU 55 1HD2 LEU 55 3.714 8.742 -2.890 434 HD23 LEU 55 2HD2 LEU 55 4.051 8.300 -1.217 435 H ARG 56 H ARG 56 -0.725 6.904 -5.458 436 HA ARG 56 HA ARG 56 -2.600 8.984 -5.169 437 HB2 ARG 56 1HB ARG 56 -2.289 6.895 -7.329 438 HB3 ARG 56 2HB ARG 56 -3.404 8.251 -7.441 439 HG2 ARG 56 1HG ARG 56 -0.439 8.555 -7.046 440 HG3 ARG 56 2HG ARG 56 -1.231 8.571 -8.623 441 HD2 ARG 56 1HD ARG 56 -2.452 10.534 -8.082 442 HD3 ARG 56 2HD ARG 56 -1.988 10.434 -6.385 443 HE ARG 56 HE ARG 56 0.065 11.357 -6.890 444 HH11 ARG 56 1HH1 ARG 56 -1.644 10.610 -9.861 445 HH12 ARG 56 2HH1 ARG 56 -0.592 11.559 -10.862 446 HH21 ARG 56 1HH2 ARG 56 1.451 12.604 -8.200 447 HH22 ARG 56 2HH2 ARG 56 1.184 12.681 -9.917 448 H LEU 57 H LEU 57 -2.984 5.477 -5.191 449 HA LEU 57 HA LEU 57 -5.805 5.429 -5.103 450 HB2 LEU 57 1HB LEU 57 -3.802 3.437 -4.035 451 HB3 LEU 57 2HB LEU 57 -5.517 3.130 -4.224 452 HG LEU 57 HG LEU 57 -3.666 3.795 -6.510 453 HD11 LEU 57 1HD1 LEU 57 -3.767 1.419 -7.057 454 HD12 LEU 57 2HD1 LEU 57 -4.699 1.116 -5.591 455 HD13 LEU 57 3HD1 LEU 57 -3.031 1.680 -5.476 456 HD21 LEU 57 3HD2 LEU 57 -6.482 2.712 -6.447 457 HD22 LEU 57 1HD2 LEU 57 -5.507 2.973 -7.891 458 HD23 LEU 57 2HD2 LEU 57 -6.012 4.347 -6.910 459 H CYS 58 H CYS 58 -3.364 5.289 -2.532 460 HA CYS 58 HA CYS 58 -5.204 5.058 -0.408 461 HB2 CYS 58 1HB CYS 58 -2.366 6.099 -0.385 462 HB3 CYS 58 2HB CYS 58 -3.289 5.612 1.034 463 HG CYS 58 HG CYS 58 -1.912 3.664 -1.384 464 H ARG 59 H ARG 59 -3.770 7.842 -2.022 465 HA ARG 59 HA ARG 59 -4.587 9.827 -0.209 466 HB2 ARG 59 1HB ARG 59 -2.988 10.244 -2.042 467 HB3 ARG 59 2HB ARG 59 -4.288 10.054 -3.213 468 HG2 ARG 59 1HG ARG 59 -5.451 11.968 -2.088 469 HG3 ARG 59 2HG ARG 59 -3.982 12.213 -1.145 470 HD2 ARG 59 1HD ARG 59 -2.715 12.585 -3.189 471 HD3 ARG 59 2HD ARG 59 -4.163 12.290 -4.155 472 HE ARG 59 HE ARG 59 -4.124 14.476 -2.190 473 HH11 ARG 59 1HH1 ARG 59 -4.378 13.402 -5.524 474 HH12 ARG 59 2HH1 ARG 59 -4.936 14.948 -6.102 475 HH21 ARG 59 1HH2 ARG 59 -4.874 16.485 -2.954 476 HH22 ARG 59 2HH2 ARG 59 -5.228 16.696 -4.642 477 H ALA 60 H ALA 60 -6.236 8.354 -2.968 478 HA ALA 60 HA ALA 60 -8.560 10.020 -2.744 479 HB1 ALA 60 3HB ALA 60 -8.178 7.412 -4.214 480 HB2 ALA 60 1HB ALA 60 -7.919 9.025 -4.879 481 HB3 ALA 60 2HB ALA 60 -9.540 8.516 -4.406 482 H SER 61 H SER 61 -7.610 6.853 -1.568 483 HA SER 61 HA SER 61 -10.139 5.999 -0.689 484 HB2 SER 61 1HB SER 61 -7.406 5.258 0.370 485 HB3 SER 61 2HB SER 61 -8.898 4.363 0.661 486 HG SER 61 HG SER 61 -7.516 4.735 -1.787 487 H LEU 62 H LEU 62 -7.719 8.070 0.810 488 HA LEU 62 HA LEU 62 -8.852 8.021 3.422 489 HB2 LEU 62 1HB LEU 62 -6.949 9.895 2.047 490 HB3 LEU 62 2HB LEU 62 -7.526 10.202 3.675 491 HG LEU 62 HG LEU 62 -5.972 7.763 2.799 492 HD11 LEU 62 1HD1 LEU 62 -5.143 10.137 4.464 493 HD12 LEU 62 2HD1 LEU 62 -4.618 9.796 2.816 494 HD13 LEU 62 3HD1 LEU 62 -4.161 8.711 4.127 495 HD21 LEU 62 3HD2 LEU 62 -6.916 8.638 5.530 496 HD22 LEU 62 1HD2 LEU 62 -5.853 7.267 5.198 497 HD23 LEU 62 2HD2 LEU 62 -7.516 7.257 4.610 498 H MET 63 H MET 63 -9.977 9.385 0.575 499 HA MET 63 HA MET 63 -11.563 11.378 2.045 500 HB2 MET 63 1HB MET 63 -10.954 11.109 -0.899 501 HB3 MET 63 2HB MET 63 -12.129 12.247 -0.253 502 HG2 MET 63 1HG MET 63 -9.203 12.190 0.444 503 HG3 MET 63 2HG MET 63 -9.958 13.284 -0.714 504 HE1 MET 63 3HE MET 63 -11.796 15.109 -0.026 505 HE2 MET 63 1HE MET 63 -12.358 15.345 1.630 506 HE3 MET 63 2HE MET 63 -12.747 13.854 0.770 507 H GLY 64 H GLY 64 -11.710 8.274 0.946 508 HA2 GLY 64 1HA GLY 64 -13.537 6.834 1.083 509 HA3 GLY 64 2HA GLY 64 -14.598 8.230 1.195 510 H ASP 65 H ASP 65 -12.312 8.279 -1.363 511 HA ASP 65 HA ASP 65 -14.384 8.167 -3.343 512 HB2 ASP 65 1HB ASP 65 -11.373 8.270 -3.583 513 HB3 ASP 65 2HB ASP 65 -12.460 8.290 -4.966 514 H VAL 66 H VAL 66 -11.888 6.006 -2.189 515 HA VAL 66 HA VAL 66 -12.763 3.960 -4.107 516 HB VAL 66 HB VAL 66 -10.212 3.979 -2.484 517 HG11 VAL 66 1HG1 VAL 66 -10.933 1.771 -3.198 518 HG12 VAL 66 2HG1 VAL 66 -9.487 2.273 -4.077 519 HG13 VAL 66 3HG1 VAL 66 -11.067 2.338 -4.861 520 HG21 VAL 66 3HG2 VAL 66 -9.074 4.640 -4.555 521 HG22 VAL 66 1HG2 VAL 66 -10.207 5.876 -4.008 522 HG23 VAL 66 2HG2 VAL 66 -10.637 4.818 -5.352 523 H ALA 67 H ALA 67 -13.967 2.357 -3.347 524 HA ALA 67 HA ALA 67 -14.563 2.244 -0.545 525 HB1 ALA 67 3HB ALA 67 -16.234 0.603 -1.152 526 HB2 ALA 67 1HB ALA 67 -15.546 0.470 -2.769 527 HB3 ALA 67 2HB ALA 67 -16.299 1.979 -2.253 528 H GLY 68 H GLY 68 -12.566 1.597 0.357 529 HA2 GLY 68 1HA GLY 68 -11.356 0.043 1.513 530 HA3 GLY 68 2HA GLY 68 -12.799 -0.940 1.390 531 H GLU 69 H GLU 69 -12.851 -2.661 0.041 532 HA GLU 69 HA GLU 69 -10.420 -3.967 -0.352 533 HB2 GLU 69 1HB GLU 69 -12.506 -5.164 -0.022 534 HB3 GLU 69 2HB GLU 69 -13.116 -4.576 -1.562 535 HG2 GLU 69 1HG GLU 69 -11.500 -5.856 -2.767 536 HG3 GLU 69 2HG GLU 69 -10.675 -6.310 -1.277 537 H ILE 70 H ILE 70 -12.183 -1.896 -2.541 538 HA ILE 70 HA ILE 70 -11.009 -2.739 -4.952 539 HB ILE 70 HB ILE 70 -11.915 0.041 -4.188 540 HG12 ILE 70 1HG1 ILE 70 -13.340 -2.211 -5.628 541 HG13 ILE 70 2HG1 ILE 70 -13.684 -1.650 -3.996 542 HG21 ILE 70 1HG2 ILE 70 -12.093 0.427 -6.609 543 HG22 ILE 70 2HG2 ILE 70 -11.379 -1.158 -6.906 544 HG23 ILE 70 3HG2 ILE 70 -10.432 0.101 -6.113 545 HD11 ILE 70 3HD1 ILE 70 -14.028 -0.048 -6.518 546 HD12 ILE 70 1HD1 ILE 70 -14.384 0.508 -4.883 547 HD13 ILE 70 2HD1 ILE 70 -15.314 -0.816 -5.588 548 H ALA 71 H ALA 71 -9.984 -0.272 -2.611 549 HA ALA 71 HA ALA 71 -7.572 0.394 -3.958 550 HB1 ALA 71 3HB ALA 71 -8.265 0.702 -1.036 551 HB2 ALA 71 1HB ALA 71 -8.598 1.883 -2.302 552 HB3 ALA 71 2HB ALA 71 -6.932 1.495 -1.875 553 H ARG 72 H ARG 72 -8.466 -1.927 -1.496 554 HA ARG 72 HA ARG 72 -5.931 -2.831 -0.748 555 HB2 ARG 72 1HB ARG 72 -7.707 -3.520 0.611 556 HB3 ARG 72 2HB ARG 72 -8.666 -4.063 -0.759 557 HG2 ARG 72 1HG ARG 72 -7.206 -5.973 -1.062 558 HG3 ARG 72 2HG ARG 72 -6.173 -5.412 0.255 559 HD2 ARG 72 1HD ARG 72 -7.795 -5.858 1.875 560 HD3 ARG 72 2HD ARG 72 -9.096 -5.920 0.685 561 HE ARG 72 HE ARG 72 -8.370 -8.074 0.031 562 HH11 ARG 72 1HH1 ARG 72 -6.651 -6.808 2.819 563 HH12 ARG 72 2HH1 ARG 72 -5.999 -8.355 3.272 564 HH21 ARG 72 1HH2 ARG 72 -7.519 -10.098 0.654 565 HH22 ARG 72 2HH2 ARG 72 -6.496 -10.205 2.059 566 H THR 73 H THR 73 -8.115 -4.044 -3.289 567 HA THR 73 HA THR 73 -6.400 -6.120 -4.143 568 HB THR 73 HB THR 73 -8.525 -4.715 -5.773 569 HG1 THR 73 HG1 THR 73 -9.586 -5.445 -3.995 570 HG21 THR 73 3HG2 THR 73 -7.383 -7.510 -5.955 571 HG22 THR 73 1HG2 THR 73 -7.070 -6.192 -7.084 572 HG23 THR 73 2HG2 THR 73 -8.694 -6.865 -6.943 573 H ALA 74 H ALA 74 -6.858 -2.785 -5.266 574 HA ALA 74 HA ALA 74 -5.062 -2.957 -7.449 575 HB1 ALA 74 3HB ALA 74 -5.158 -0.523 -7.479 576 HB2 ALA 74 1HB ALA 74 -5.913 -0.522 -5.884 577 HB3 ALA 74 2HB ALA 74 -6.768 -1.210 -7.265 578 H PHE 75 H PHE 75 -4.664 -2.214 -4.045 579 HA PHE 75 HA PHE 75 -1.987 -1.313 -4.163 580 HB2 PHE 75 1HB PHE 75 -3.628 -1.085 -2.228 581 HB3 PHE 75 2HB PHE 75 -3.275 -2.764 -1.845 582 HD1 PHE 75 HD1 PHE 75 -1.749 0.583 -2.198 583 HD2 PHE 75 HD2 PHE 75 -1.385 -3.338 -0.590 584 HE1 PHE 75 HE1 PHE 75 0.186 1.314 -0.870 585 HE2 PHE 75 HE2 PHE 75 0.555 -2.614 0.741 586 HZ PHE 75 HZ PHE 75 1.342 -0.285 0.601 587 H VAL 76 H VAL 76 -3.474 -4.488 -3.867 588 HA VAL 76 HA VAL 76 -1.161 -6.030 -3.474 589 HB VAL 76 HB VAL 76 -3.748 -6.722 -4.886 590 HG11 VAL 76 1HG1 VAL 76 -1.976 -8.214 -5.655 591 HG12 VAL 76 2HG1 VAL 76 -3.123 -9.068 -4.622 592 HG13 VAL 76 3HG1 VAL 76 -1.553 -8.582 -3.982 593 HG21 VAL 76 3HG2 VAL 76 -2.749 -7.321 -2.104 594 HG22 VAL 76 1HG2 VAL 76 -4.263 -7.907 -2.796 595 HG23 VAL 76 2HG2 VAL 76 -4.022 -6.178 -2.536 596 H ALA 77 H ALA 77 -2.687 -4.785 -6.405 597 HA ALA 77 HA ALA 77 -1.062 -6.115 -8.278 598 HB1 ALA 77 3HB ALA 77 -1.824 -4.435 -9.873 599 HB2 ALA 77 1HB ALA 77 -2.441 -3.446 -8.551 600 HB3 ALA 77 2HB ALA 77 -3.162 -5.021 -8.885 601 H ALA 78 H ALA 78 -0.654 -3.061 -6.554 602 HA ALA 78 HA ALA 78 1.729 -2.301 -7.938 603 HB1 ALA 78 3HB ALA 78 1.965 -0.613 -6.182 604 HB2 ALA 78 1HB ALA 78 0.681 -1.389 -5.256 605 HB3 ALA 78 2HB ALA 78 0.320 -0.647 -6.816 606 H SER 79 H SER 79 1.015 -4.038 -4.962 607 HA SER 79 HA SER 79 3.671 -4.198 -3.996 608 HB2 SER 79 1HB SER 79 1.353 -6.069 -3.449 609 HB3 SER 79 2HB SER 79 2.801 -5.884 -2.460 610 HG SER 79 HG SER 79 0.736 -3.995 -2.910 611 H ARG 80 H ARG 80 2.074 -5.771 -6.534 612 HA ARG 80 HA ARG 80 3.271 -8.307 -6.539 613 HB2 ARG 80 1HB ARG 80 1.313 -7.640 -7.904 614 HB3 ARG 80 2HB ARG 80 2.367 -6.656 -8.905 615 HG2 ARG 80 1HG ARG 80 3.578 -8.663 -9.601 616 HG3 ARG 80 2HG ARG 80 2.508 -9.648 -8.597 617 HD2 ARG 80 1HD ARG 80 0.582 -8.782 -9.912 618 HD3 ARG 80 2HD ARG 80 1.727 -7.962 -10.972 619 HE ARG 80 HE ARG 80 2.636 -10.361 -11.298 620 HH11 ARG 80 1HH1 ARG 80 -0.721 -9.479 -10.865 621 HH12 ARG 80 2HH1 ARG 80 -1.340 -10.844 -11.745 622 HH21 ARG 80 1HH2 ARG 80 1.839 -12.142 -12.487 623 HH22 ARG 80 2HH2 ARG 80 0.124 -12.349 -12.692 624 H GLN 81 H GLN 81 4.368 -5.202 -7.791 625 HA GLN 81 HA GLN 81 6.500 -6.110 -9.375 626 HB2 GLN 81 1HB GLN 81 5.668 -3.817 -9.508 627 HB3 GLN 81 2HB GLN 81 6.214 -3.506 -7.865 628 HG2 GLN 81 1HG GLN 81 8.537 -3.935 -8.612 629 HG3 GLN 81 2HG GLN 81 7.936 -4.088 -10.261 630 HE21 GLN 81 2HE2 GLN 81 7.221 -2.259 -11.349 631 HE22 GLN 81 1HE2 GLN 81 7.599 -0.661 -10.798 632 H ALA 82 H ALA 82 6.354 -5.228 -5.957 633 HA ALA 82 HA ALA 82 9.182 -5.784 -5.598 634 HB1 ALA 82 3HB ALA 82 7.076 -4.947 -3.608 635 HB2 ALA 82 1HB ALA 82 8.196 -3.874 -4.447 636 HB3 ALA 82 2HB ALA 82 8.807 -5.057 -3.290 637 H HIS 83 H HIS 83 6.524 -7.643 -5.861 638 HA HIS 83 HA HIS 83 5.885 -9.722 -5.217 639 HB2 HIS 83 1HB HIS 83 8.844 -9.885 -4.657 640 HB3 HIS 83 2HB HIS 83 7.769 -11.258 -4.419 641 HD1 HIS 83 HD1 HIS 83 7.359 -12.694 -6.404 642 HD2 HIS 83 HD2 HIS 83 8.843 -8.946 -7.450 643 HE1 HIS 83 HE1 HIS 83 7.768 -12.790 -8.889 644 HE2 HIS 83 HE2 HIS 83 8.800 -10.560 -9.474 645 H CYS 84 H CYS 84 5.566 -7.598 -3.377 646 HA CYS 84 HA CYS 84 6.156 -8.670 -0.740 647 HB2 CYS 84 1HB CYS 84 6.412 -6.254 -1.193 648 HB3 CYS 84 2HB CYS 84 4.700 -6.148 -1.582 649 HG CYS 84 HG CYS 84 3.798 -6.636 0.964 650 H LEU 85 H LEU 85 4.427 -10.185 -2.440 651 HA LEU 85 HA LEU 85 1.722 -9.673 -1.538 652 HB2 LEU 85 1HB LEU 85 2.811 -11.819 -3.348 653 HB3 LEU 85 2HB LEU 85 1.112 -11.552 -3.002 654 HG LEU 85 HG LEU 85 2.949 -9.616 -4.390 655 HD11 LEU 85 1HD1 LEU 85 1.577 -10.091 -6.358 656 HD12 LEU 85 2HD1 LEU 85 0.672 -11.288 -5.431 657 HD13 LEU 85 3HD1 LEU 85 2.385 -11.544 -5.767 658 HD21 LEU 85 3HD2 LEU 85 1.254 -8.474 -3.058 659 HD22 LEU 85 1HD2 LEU 85 -0.005 -9.435 -3.834 660 HD23 LEU 85 2HD2 LEU 85 0.943 -8.291 -4.784 661 H MET 86 H MET 86 0.905 -10.496 0.163 662 HA MET 86 HA MET 86 1.658 -13.187 1.023 663 HB2 MET 86 1HB MET 86 1.585 -10.764 2.829 664 HB3 MET 86 2HB MET 86 1.597 -12.418 3.417 665 HG2 MET 86 1HG MET 86 3.766 -12.740 2.235 666 HG3 MET 86 2HG MET 86 3.760 -11.016 1.871 667 HE1 MET 86 3HE MET 86 2.490 -12.831 5.122 668 HE2 MET 86 1HE MET 86 3.927 -12.759 6.143 669 HE3 MET 86 2HE MET 86 3.932 -13.747 4.682 670 H GLU 87 H GLU 87 0.049 -14.281 2.166 671 HA GLU 87 HA GLU 87 -2.643 -13.284 1.867 672 HB2 GLU 87 1HB GLU 87 -1.595 -15.750 3.277 673 HB3 GLU 87 2HB GLU 87 -3.291 -15.397 2.978 674 HG2 GLU 87 1HG GLU 87 -1.185 -15.855 0.876 675 HG3 GLU 87 2HG GLU 87 -2.422 -17.007 1.381 676 H ASP 88 H ASP 88 -4.018 -12.659 3.555 677 HA ASP 88 HA ASP 88 -2.745 -11.446 5.796 678 HB2 ASP 88 1HB ASP 88 -5.693 -11.950 5.336 679 HB3 ASP 88 2HB ASP 88 -5.005 -10.870 6.546 680 H LYS 89 H LYS 89 -2.676 -12.081 7.898 681 HA LYS 89 HA LYS 89 -2.460 -13.529 9.633 682 HB2 LYS 89 1HB LYS 89 -4.900 -14.863 8.432 683 HB3 LYS 89 2HB LYS 89 -4.261 -15.171 10.037 684 HG2 LYS 89 1HG LYS 89 -5.892 -13.712 10.601 685 HG3 LYS 89 2HG LYS 89 -4.619 -12.543 10.256 686 HD2 LYS 89 1HD LYS 89 -5.496 -12.184 8.029 687 HD3 LYS 89 2HD LYS 89 -6.702 -13.448 8.267 688 HE2 LYS 89 1HE LYS 89 -7.643 -12.103 10.141 689 HE3 LYS 89 2HE LYS 89 -6.513 -10.817 9.726 690 HZ1 LYS 89 3HZ LYS 89 -8.795 -10.562 8.791 691 HZ2 LYS 89 1HZ LYS 89 -8.502 -11.917 7.816 692 HZ3 LYS 89 2HZ LYS 89 -7.561 -10.520 7.627 693 H ALA 90 H ALA 90 -1.055 -14.016 7.155 694 HA ALA 90 HA ALA 90 -1.039 -16.683 6.339 695 HB1 ALA 90 3HB ALA 90 0.053 -14.881 5.099 696 HB2 ALA 90 1HB ALA 90 1.155 -16.224 5.397 697 HB3 ALA 90 2HB ALA 90 1.276 -14.753 6.363 698 H GLU 91 H GLU 91 0.578 -15.132 9.045 699 HA GLU 91 HA GLU 91 1.845 -17.673 9.748 700 HB2 GLU 91 1HB GLU 91 2.149 -14.952 11.039 701 HB3 GLU 91 2HB GLU 91 3.059 -16.397 11.457 702 HG2 GLU 91 1HG GLU 91 3.893 -16.416 9.079 703 HG3 GLU 91 2HG GLU 91 3.174 -14.817 8.905 704 H ALA 92 H ALA 92 0.364 -18.963 10.628 705 HA ALA 92 HA ALA 92 -1.392 -17.832 12.710 706 HB1 ALA 92 3HB ALA 92 -2.627 -18.490 10.700 707 HB2 ALA 92 1HB ALA 92 -3.064 -19.489 12.086 708 HB3 ALA 92 2HB ALA 92 -1.987 -20.128 10.845 709 HA PRO 93 HA PRO 93 0.680 -20.809 15.321 710 HB2 PRO 93 1HB PRO 93 -0.597 -20.167 17.607 711 HB3 PRO 93 2HB PRO 93 0.656 -19.133 16.907 712 HG2 PRO 93 1HG PRO 93 -2.321 -18.863 16.768 713 HG3 PRO 93 2HG PRO 93 -1.093 -17.610 17.025 714 HD2 PRO 93 1HD PRO 93 -2.289 -18.085 14.612 715 HD3 PRO 93 2HD PRO 93 -0.660 -17.405 14.783 716 H ASN 94 H ASN 94 -0.015 -22.516 16.877 717 HA ASN 94 HA ASN 94 -1.090 -24.469 17.263 718 HB2 ASN 94 1HB ASN 94 -2.726 -22.837 18.279 719 HB3 ASN 94 2HB ASN 94 -3.650 -22.936 16.782 720 HD21 ASN 94 2HD2 ASN 94 -4.781 -24.815 16.308 721 HD22 ASN 94 1HD2 ASN 94 -5.077 -26.040 17.491 722 H THR 95 H THR 95 -0.133 -25.134 15.187 723 HA THR 95 HA THR 95 -2.191 -25.652 13.138 724 HB THR 95 HB THR 95 0.756 -26.007 12.691 725 HG1 THR 95 HG1 THR 95 -0.752 -23.591 12.646 726 HG21 THR 95 3HG2 THR 95 -1.519 -25.256 10.851 727 HG22 THR 95 1HG2 THR 95 -0.808 -26.864 11.003 728 HG23 THR 95 2HG2 THR 95 0.156 -25.530 10.373 729 H ILE 96 H ILE 96 -2.289 -27.766 12.228 730 HA ILE 96 HA ILE 96 -0.993 -29.855 13.831 731 HB ILE 96 HB ILE 96 -3.241 -29.793 14.637 732 HG12 ILE 96 1HG1 ILE 96 -4.092 -32.037 13.961 733 HG13 ILE 96 2HG1 ILE 96 -2.896 -32.063 12.670 734 HG21 ILE 96 1HG2 ILE 96 -4.155 -29.934 11.772 735 HG22 ILE 96 2HG2 ILE 96 -4.303 -28.553 12.861 736 HG23 ILE 96 3HG2 ILE 96 -5.203 -30.033 13.188 737 HD11 ILE 96 3HD1 ILE 96 -1.107 -31.964 14.328 738 HD12 ILE 96 1HD1 ILE 96 -2.155 -33.360 14.582 739 HD13 ILE 96 2HD1 ILE 96 -2.308 -31.942 15.619 740 H ALA 97 H ALA 97 0.455 -30.662 12.484 741 HA ALA 97 HA ALA 97 -0.489 -31.574 9.845 742 HB1 ALA 97 3HB ALA 97 2.223 -30.388 10.435 743 HB2 ALA 97 1HB ALA 97 0.922 -29.599 9.543 744 HB3 ALA 97 2HB ALA 97 1.692 -31.042 8.885 745 H SER 98 H SER 98 2.609 -31.894 11.545 746 HA SER 98 HA SER 98 2.099 -34.780 11.772 747 HB2 SER 98 1HB SER 98 4.686 -33.446 10.932 748 HB3 SER 98 2HB SER 98 4.518 -35.160 11.295 749 HG SER 98 HG SER 98 3.740 -33.735 9.058 750 H GLY 99 H GLY 99 1.832 -35.114 13.873 751 HA2 GLY 99 1HA GLY 99 3.170 -33.528 15.874 752 HA3 GLY 99 2HA GLY 99 2.104 -34.896 16.164 753 H SER 100 H SER 100 5.214 -34.444 14.517 754 HA SER 100 HA SER 100 6.357 -36.516 16.253 755 HB2 SER 100 1HB SER 100 6.883 -36.184 13.286 756 HB3 SER 100 2HB SER 100 7.612 -37.394 14.339 757 HG SER 100 HG SER 100 5.466 -38.192 14.720 Start of MODEL 20 1 H1 MET 1 1H MET 1 -9.680 -0.038 19.976 2 H2 MET 1 2H MET 1 -10.609 -1.453 20.024 3 H3 MET 1 3H MET 1 -9.521 -1.110 21.282 4 HA MET 1 HA MET 1 -11.817 -0.670 21.925 5 HB2 MET 1 1HB MET 1 -9.941 0.649 22.890 6 HB3 MET 1 2HB MET 1 -10.153 1.843 21.616 7 HG2 MET 1 1HG MET 1 -12.411 2.308 22.432 8 HG3 MET 1 2HG MET 1 -12.186 1.121 23.716 9 HE1 MET 1 3HE MET 1 -13.136 4.018 24.369 10 HE2 MET 1 1HE MET 1 -12.101 4.442 25.732 11 HE3 MET 1 2HE MET 1 -12.784 2.819 25.615 12 H GLU 2 H GLU 2 -13.783 -0.232 21.158 13 HA GLU 2 HA GLU 2 -14.102 0.562 18.457 14 HB2 GLU 2 1HB GLU 2 -15.646 -0.976 19.638 15 HB3 GLU 2 2HB GLU 2 -16.213 0.374 20.613 16 HG2 GLU 2 1HG GLU 2 -17.073 1.480 18.643 17 HG3 GLU 2 2HG GLU 2 -16.430 0.200 17.615 18 H VAL 3 H VAL 3 -14.330 2.488 17.576 19 HA VAL 3 HA VAL 3 -14.947 4.781 19.320 20 HB VAL 3 HB VAL 3 -13.347 4.800 16.750 21 HG11 VAL 3 1HG1 VAL 3 -13.931 7.012 18.716 22 HG12 VAL 3 2HG1 VAL 3 -14.585 6.869 17.084 23 HG13 VAL 3 3HG1 VAL 3 -12.856 7.132 17.322 24 HG21 VAL 3 3HG2 VAL 3 -12.439 5.119 19.610 25 HG22 VAL 3 1HG2 VAL 3 -11.426 5.333 18.181 26 HG23 VAL 3 2HG2 VAL 3 -12.102 3.747 18.554 27 H GLN 4 H GLN 4 -16.761 5.859 18.884 28 HA GLN 4 HA GLN 4 -18.522 4.923 16.840 29 HB2 GLN 4 1HB GLN 4 -18.729 7.323 18.662 30 HB3 GLN 4 2HB GLN 4 -20.019 6.748 17.617 31 HG2 GLN 4 1HG GLN 4 -20.022 4.614 18.839 32 HG3 GLN 4 2HG GLN 4 -18.783 5.255 19.917 33 HE21 GLN 4 2HE2 GLN 4 -21.517 4.348 20.467 34 HE22 GLN 4 1HE2 GLN 4 -22.319 5.681 21.224 35 H SER 5 H SER 5 -16.459 7.760 17.193 36 HA SER 5 HA SER 5 -17.611 8.985 14.838 37 HB2 SER 5 1HB SER 5 -16.900 10.302 16.872 38 HB3 SER 5 2HB SER 5 -15.230 9.952 16.428 39 HG SER 5 HG SER 5 -17.129 11.582 15.149 40 H MET 6 H MET 6 -17.088 7.609 13.178 41 HA MET 6 HA MET 6 -14.250 7.688 12.399 42 HB2 MET 6 1HB MET 6 -16.327 5.593 11.715 43 HB3 MET 6 2HB MET 6 -14.711 5.657 11.024 44 HG2 MET 6 1HG MET 6 -13.773 5.410 13.297 45 HG3 MET 6 2HG MET 6 -15.411 5.235 13.921 46 HE1 MET 6 3HE MET 6 -16.815 3.544 11.636 47 HE2 MET 6 1HE MET 6 -17.006 3.188 13.353 48 HE3 MET 6 2HE MET 6 -16.574 1.899 12.229 49 H LEU 7 H LEU 7 -13.923 9.095 10.839 50 HA LEU 7 HA LEU 7 -16.180 10.257 9.471 51 HB2 LEU 7 1HB LEU 7 -13.235 10.894 9.277 52 HB3 LEU 7 2HB LEU 7 -14.539 11.867 8.622 53 HG LEU 7 HG LEU 7 -14.130 11.306 11.561 54 HD11 LEU 7 1HD1 LEU 7 -13.394 13.631 11.705 55 HD12 LEU 7 2HD1 LEU 7 -13.511 13.778 9.952 56 HD13 LEU 7 3HD1 LEU 7 -12.330 12.680 10.669 57 HD21 LEU 7 3HD2 LEU 7 -15.795 13.069 11.878 58 HD22 LEU 7 1HD2 LEU 7 -16.458 11.717 10.960 59 HD23 LEU 7 2HD2 LEU 7 -15.991 13.202 10.131 60 H LEU 8 H LEU 8 -15.955 10.788 7.104 61 HA LEU 8 HA LEU 8 -15.780 8.390 5.599 62 HB2 LEU 8 1HB LEU 8 -17.264 10.299 5.054 63 HB3 LEU 8 2HB LEU 8 -15.854 11.247 4.620 64 HG LEU 8 HG LEU 8 -15.361 9.603 2.814 65 HD11 LEU 8 1HD1 LEU 8 -16.493 7.667 3.756 66 HD12 LEU 8 2HD1 LEU 8 -17.126 8.037 2.151 67 HD13 LEU 8 3HD1 LEU 8 -18.051 8.478 3.586 68 HD21 LEU 8 3HD2 LEU 8 -18.092 10.877 2.703 69 HD22 LEU 8 1HD2 LEU 8 -17.128 10.365 1.318 70 HD23 LEU 8 2HD2 LEU 8 -16.562 11.680 2.348 71 H ASN 9 H ASN 9 -13.512 10.893 6.356 72 HA ASN 9 HA ASN 9 -11.620 9.895 4.365 73 HB2 ASN 9 1HB ASN 9 -11.449 12.263 6.237 74 HB3 ASN 9 2HB ASN 9 -10.191 11.800 5.095 75 HD21 ASN 9 2HD2 ASN 9 -12.249 10.942 3.133 76 HD22 ASN 9 1HD2 ASN 9 -12.831 12.410 2.429 77 H ASP 10 H ASP 10 -12.561 9.124 7.379 78 HA ASP 10 HA ASP 10 -9.916 8.070 8.111 79 HB2 ASP 10 1HB ASP 10 -11.043 9.302 9.922 80 HB3 ASP 10 2HB ASP 10 -12.456 8.266 9.760 81 H VAL 11 H VAL 11 -10.106 6.607 6.338 82 HA VAL 11 HA VAL 11 -12.311 4.706 6.443 83 HB VAL 11 HB VAL 11 -12.034 5.758 4.295 84 HG11 VAL 11 1HG1 VAL 11 -9.204 4.729 4.314 85 HG12 VAL 11 2HG1 VAL 11 -9.700 6.414 4.474 86 HG13 VAL 11 3HG1 VAL 11 -9.998 5.546 2.968 87 HG21 VAL 11 3HG2 VAL 11 -11.033 2.915 4.209 88 HG22 VAL 11 1HG2 VAL 11 -11.719 3.804 2.850 89 HG23 VAL 11 2HG2 VAL 11 -12.720 3.429 4.254 90 H LYS 12 H LYS 12 -12.048 2.717 7.094 91 HA LYS 12 HA LYS 12 -9.311 1.757 7.526 92 HB2 LYS 12 1HB LYS 12 -11.837 1.010 9.021 93 HB3 LYS 12 2HB LYS 12 -10.216 0.418 9.374 94 HG2 LYS 12 1HG LYS 12 -9.484 2.608 10.006 95 HG3 LYS 12 2HG LYS 12 -11.009 3.317 9.477 96 HD2 LYS 12 1HD LYS 12 -12.172 1.969 11.209 97 HD3 LYS 12 2HD LYS 12 -10.592 1.423 11.785 98 HE2 LYS 12 1HE LYS 12 -9.949 3.714 12.261 99 HE3 LYS 12 2HE LYS 12 -11.481 4.299 11.615 100 HZ1 LYS 12 3HZ LYS 12 -11.608 4.257 13.976 101 HZ2 LYS 12 1HZ LYS 12 -11.086 2.642 14.047 102 HZ3 LYS 12 2HZ LYS 12 -12.603 3.017 13.385 103 H TRP 13 H TRP 13 -9.081 -0.645 7.358 104 HA TRP 13 HA TRP 13 -10.391 -1.388 4.880 105 HB2 TRP 13 1HB TRP 13 -7.831 -1.973 6.115 106 HB3 TRP 13 2HB TRP 13 -8.608 -3.419 5.469 107 HD1 TRP 13 HD1 TRP 13 -9.893 -2.528 2.884 108 HE1 TRP 13 HE1 TRP 13 -8.544 -1.613 0.906 109 HE3 TRP 13 HE3 TRP 13 -5.679 -1.086 5.388 110 HZ2 TRP 13 HZ2 TRP 13 -6.002 -0.445 0.451 111 HZ3 TRP 13 HZ3 TRP 13 -3.832 -0.084 4.109 112 HH2 TRP 13 HH2 TRP 13 -3.991 0.229 1.693 113 H GLU 14 H GLU 14 -11.760 -2.943 4.568 114 HA GLU 14 HA GLU 14 -13.050 -4.270 6.742 115 HB2 GLU 14 1HB GLU 14 -13.220 -4.935 3.795 116 HB3 GLU 14 2HB GLU 14 -14.422 -5.274 5.035 117 HG2 GLU 14 1HG GLU 14 -14.955 -2.967 5.261 118 HG3 GLU 14 2HG GLU 14 -13.593 -2.495 4.246 119 H LYS 15 H LYS 15 -10.570 -5.000 4.455 120 HA LYS 15 HA LYS 15 -9.926 -7.447 5.941 121 HB2 LYS 15 1HB LYS 15 -9.747 -6.991 2.956 122 HB3 LYS 15 2HB LYS 15 -8.969 -8.332 3.781 123 HG2 LYS 15 1HG LYS 15 -11.062 -9.274 4.395 124 HG3 LYS 15 2HG LYS 15 -11.933 -7.835 3.858 125 HD2 LYS 15 1HD LYS 15 -11.354 -8.265 1.570 126 HD3 LYS 15 2HD LYS 15 -10.287 -9.589 2.041 127 HE2 LYS 15 1HE LYS 15 -12.130 -10.923 2.743 128 HE3 LYS 15 2HE LYS 15 -13.247 -9.567 2.587 129 HZ1 LYS 15 3HZ LYS 15 -11.742 -10.649 0.278 130 HZ2 LYS 15 1HZ LYS 15 -13.102 -9.634 0.262 131 HZ3 LYS 15 2HZ LYS 15 -13.259 -11.261 0.733 132 HA PRO 16 HA PRO 16 -6.501 -4.582 6.671 133 HB2 PRO 16 1HB PRO 16 -5.521 -6.990 8.118 134 HB3 PRO 16 2HB PRO 16 -5.636 -5.314 8.667 135 HG2 PRO 16 1HG PRO 16 -7.375 -7.138 9.516 136 HG3 PRO 16 2HG PRO 16 -7.902 -5.487 9.139 137 HD2 PRO 16 1HD PRO 16 -8.234 -7.995 7.547 138 HD3 PRO 16 2HD PRO 16 -9.356 -6.635 7.759 139 H VAL 17 H VAL 17 -4.493 -4.345 5.822 140 HA VAL 17 HA VAL 17 -3.581 -6.489 4.030 141 HB VAL 17 HB VAL 17 -2.799 -3.564 4.030 142 HG11 VAL 17 1HG1 VAL 17 -2.228 -5.758 2.040 143 HG12 VAL 17 2HG1 VAL 17 -1.056 -5.007 3.124 144 HG13 VAL 17 3HG1 VAL 17 -1.809 -4.057 1.842 145 HG21 VAL 17 3HG2 VAL 17 -4.690 -5.068 2.228 146 HG22 VAL 17 1HG2 VAL 17 -4.169 -3.398 2.000 147 HG23 VAL 17 2HG2 VAL 17 -5.133 -3.837 3.411 148 H THR 18 H THR 18 -1.801 -7.593 4.556 149 HA THR 18 HA THR 18 -0.036 -6.443 6.612 150 HB THR 18 HB THR 18 -0.282 -9.377 5.945 151 HG1 THR 18 HG1 THR 18 -2.092 -7.811 7.131 152 HG21 THR 18 3HG2 THR 18 1.744 -8.705 7.149 153 HG22 THR 18 1HG2 THR 18 0.684 -9.664 8.182 154 HG23 THR 18 2HG2 THR 18 0.756 -7.913 8.376 155 H ILE 19 H ILE 19 1.710 -5.610 5.719 156 HA ILE 19 HA ILE 19 2.831 -6.849 3.291 157 HB ILE 19 HB ILE 19 3.127 -4.051 4.400 158 HG12 ILE 19 1HG1 ILE 19 0.991 -4.607 3.226 159 HG13 ILE 19 2HG1 ILE 19 1.921 -3.328 2.452 160 HG21 ILE 19 1HG2 ILE 19 4.458 -3.539 2.412 161 HG22 ILE 19 2HG2 ILE 19 4.414 -5.239 1.946 162 HG23 ILE 19 3HG2 ILE 19 5.240 -4.752 3.427 163 HD11 ILE 19 3HD1 ILE 19 2.747 -4.927 0.815 164 HD12 ILE 19 1HD1 ILE 19 0.986 -4.837 0.818 165 HD13 ILE 19 2HD1 ILE 19 1.800 -6.202 1.585 166 H SER 20 H SER 20 4.665 -7.967 3.520 167 HA SER 20 HA SER 20 6.189 -7.755 5.976 168 HB2 SER 20 1HB SER 20 6.735 -9.491 3.554 169 HB3 SER 20 2HB SER 20 7.412 -9.683 5.172 170 HG SER 20 HG SER 20 4.665 -9.897 4.473 171 H LEU 21 H LEU 21 7.696 -6.260 6.194 172 HA LEU 21 HA LEU 21 8.803 -4.821 4.006 173 HB2 LEU 21 1HB LEU 21 9.261 -4.878 6.954 174 HB3 LEU 21 2HB LEU 21 10.404 -4.040 5.922 175 HG LEU 21 HG LEU 21 7.449 -3.439 5.966 176 HD11 LEU 21 1HD1 LEU 21 8.443 -2.946 8.143 177 HD12 LEU 21 2HD1 LEU 21 8.046 -1.462 7.277 178 HD13 LEU 21 3HD1 LEU 21 9.719 -2.016 7.356 179 HD21 LEU 21 3HD2 LEU 21 8.601 -2.848 3.897 180 HD22 LEU 21 1HD2 LEU 21 9.820 -1.967 4.816 181 HD23 LEU 21 2HD2 LEU 21 8.148 -1.402 4.799 182 H GLN 22 H GLN 22 11.376 -4.450 4.296 183 HA GLN 22 HA GLN 22 12.489 -6.698 2.998 184 HB2 GLN 22 1HB GLN 22 13.145 -4.266 2.700 185 HB3 GLN 22 2HB GLN 22 14.016 -4.396 4.221 186 HG2 GLN 22 1HG GLN 22 15.515 -4.653 2.336 187 HG3 GLN 22 2HG GLN 22 15.429 -6.140 3.278 188 HE21 GLN 22 2HE2 GLN 22 16.171 -7.339 1.510 189 HE22 GLN 22 1HE2 GLN 22 15.142 -7.699 0.165 190 H ASN 23 H ASN 23 12.545 -5.549 6.293 191 HA ASN 23 HA ASN 23 14.528 -7.432 7.194 192 HB2 ASN 23 1HB ASN 23 12.583 -5.667 8.695 193 HB3 ASN 23 2HB ASN 23 13.749 -6.719 9.487 194 HD21 ASN 23 2HD2 ASN 23 15.934 -6.225 9.392 195 HD22 ASN 23 1HD2 ASN 23 16.497 -4.657 8.915 196 H GLY 24 H GLY 24 11.622 -8.039 5.991 197 HA2 GLY 24 1HA GLY 24 10.232 -9.868 6.123 198 HA3 GLY 24 2HA GLY 24 11.341 -10.553 7.306 199 H ALA 25 H ALA 25 9.769 -7.444 7.603 200 HA ALA 25 HA ALA 25 8.333 -8.471 9.953 201 HB1 ALA 25 3HB ALA 25 10.011 -6.745 10.445 202 HB2 ALA 25 1HB ALA 25 8.376 -6.197 10.818 203 HB3 ALA 25 2HB ALA 25 9.180 -5.638 9.351 204 HA PRO 26 HA PRO 26 4.820 -7.581 7.249 205 HB2 PRO 26 1HB PRO 26 3.314 -9.270 9.060 206 HB3 PRO 26 2HB PRO 26 3.734 -9.562 7.373 207 HG2 PRO 26 1HG PRO 26 4.770 -10.997 9.443 208 HG3 PRO 26 2HG PRO 26 5.627 -10.734 7.913 209 HD2 PRO 26 1HD PRO 26 5.960 -9.332 10.541 210 HD3 PRO 26 2HD PRO 26 7.199 -9.876 9.388 211 H ARG 27 H ARG 27 4.080 -5.577 7.630 212 HA ARG 27 HA ARG 27 3.068 -4.883 10.288 213 HB2 ARG 27 1HB ARG 27 3.403 -3.179 7.808 214 HB3 ARG 27 2HB ARG 27 2.833 -2.595 9.363 215 HG2 ARG 27 1HG ARG 27 5.006 -3.266 10.353 216 HG3 ARG 27 2HG ARG 27 5.565 -3.689 8.733 217 HD2 ARG 27 1HD ARG 27 6.342 -1.477 9.279 218 HD3 ARG 27 2HD ARG 27 5.116 -1.361 8.017 219 HE ARG 27 HE ARG 27 4.119 -1.040 10.720 220 HH11 ARG 27 1HH1 ARG 27 5.414 0.585 7.893 221 HH12 ARG 27 2HH1 ARG 27 4.741 2.125 8.319 222 HH21 ARG 27 1HH2 ARG 27 3.232 0.997 11.270 223 HH22 ARG 27 2HH2 ARG 27 3.506 2.363 10.220 224 H ILE 28 H ILE 28 0.974 -4.957 10.769 225 HA ILE 28 HA ILE 28 -0.917 -5.598 8.652 226 HB ILE 28 HB ILE 28 -1.368 -5.403 11.636 227 HG12 ILE 28 1HG1 ILE 28 -0.958 -7.832 9.873 228 HG13 ILE 28 2HG1 ILE 28 0.227 -7.182 11.001 229 HG21 ILE 28 1HG2 ILE 28 -3.109 -6.549 9.453 230 HG22 ILE 28 2HG2 ILE 28 -3.419 -5.071 10.364 231 HG23 ILE 28 3HG2 ILE 28 -3.442 -6.633 11.182 232 HD11 ILE 28 3HD1 ILE 28 -1.276 -7.674 12.860 233 HD12 ILE 28 1HD1 ILE 28 -0.898 -9.120 11.924 234 HD13 ILE 28 2HD1 ILE 28 -2.460 -8.325 11.727 235 H PHE 29 H PHE 29 -1.652 -3.921 7.539 236 HA PHE 29 HA PHE 29 -2.155 -1.372 8.858 237 HB2 PHE 29 1HB PHE 29 -2.626 -2.056 5.952 238 HB3 PHE 29 2HB PHE 29 -2.447 -0.458 6.664 239 HD1 PHE 29 HD2 PHE 29 -0.141 -0.044 7.874 240 HD2 PHE 29 HD1 PHE 29 -0.827 -3.004 4.898 241 HE1 PHE 29 HE2 PHE 29 2.274 -0.125 7.396 242 HE2 PHE 29 HE1 PHE 29 1.573 -3.088 4.420 243 HZ PHE 29 HZ PHE 29 3.125 -1.656 5.658 244 H ASN 30 H ASN 30 -4.061 -0.922 9.692 245 HA ASN 30 HA ASN 30 -6.371 -2.557 8.876 246 HB2 ASN 30 1HB ASN 30 -6.036 -0.902 11.392 247 HB3 ASN 30 2HB ASN 30 -7.353 -2.013 11.035 248 HD21 ASN 30 2HD2 ASN 30 -4.101 -1.685 12.119 249 HD22 ASN 30 1HD2 ASN 30 -3.841 -3.348 12.523 250 H GLY 31 H GLY 31 -4.976 0.503 8.721 251 HA2 GLY 31 1HA GLY 31 -7.515 1.619 7.710 252 HA3 GLY 31 2HA GLY 31 -6.407 2.576 8.689 253 H VAL 32 H VAL 32 -7.342 3.018 5.938 254 HA VAL 32 HA VAL 32 -5.274 2.312 4.126 255 HB VAL 32 HB VAL 32 -7.300 4.543 3.878 256 HG11 VAL 32 1HG1 VAL 32 -5.655 3.128 1.782 257 HG12 VAL 32 2HG1 VAL 32 -5.468 4.802 2.305 258 HG13 VAL 32 3HG1 VAL 32 -6.933 4.300 1.460 259 HG21 VAL 32 3HG2 VAL 32 -8.396 2.409 4.249 260 HG22 VAL 32 1HG2 VAL 32 -7.434 1.669 2.968 261 HG23 VAL 32 2HG2 VAL 32 -8.613 2.921 2.576 262 H TYR 33 H TYR 33 -5.737 4.970 6.338 263 HA TYR 33 HA TYR 33 -3.853 6.748 5.194 264 HB2 TYR 33 1HB TYR 33 -5.542 7.414 6.910 265 HB3 TYR 33 2HB TYR 33 -4.622 6.516 8.114 266 HD1 TYR 33 HD2 TYR 33 -4.538 9.424 5.843 267 HD2 TYR 33 HD1 TYR 33 -2.661 7.444 9.105 268 HE1 TYR 33 HE2 TYR 33 -3.137 11.404 6.229 269 HE2 TYR 33 HE1 TYR 33 -1.254 9.418 9.501 270 HH TYR 33 HH TYR 33 -1.856 12.442 7.992 271 H GLU 34 H GLU 34 -3.582 4.063 7.435 272 HA GLU 34 HA GLU 34 -0.920 4.499 8.257 273 HB2 GLU 34 1HB GLU 34 -2.282 1.820 7.961 274 HB3 GLU 34 2HB GLU 34 -0.952 2.224 9.037 275 HG2 GLU 34 1HG GLU 34 -2.460 3.736 10.273 276 HG3 GLU 34 2HG GLU 34 -3.785 3.217 9.230 277 H ALA 35 H ALA 35 -2.359 2.719 5.588 278 HA ALA 35 HA ALA 35 0.042 1.598 4.588 279 HB1 ALA 35 3HB ALA 35 -2.194 0.726 4.056 280 HB2 ALA 35 1HB ALA 35 -1.249 1.068 2.606 281 HB3 ALA 35 2HB ALA 35 -2.524 2.179 3.113 282 H PHE 36 H PHE 36 -1.773 4.535 3.809 283 HA PHE 36 HA PHE 36 -0.181 5.477 1.712 284 HB2 PHE 36 1HB PHE 36 -2.334 6.482 2.244 285 HB3 PHE 36 2HB PHE 36 -1.732 7.018 3.809 286 HD1 PHE 36 HD2 PHE 36 -1.203 7.430 0.154 287 HD2 PHE 36 HD1 PHE 36 -0.760 9.113 4.040 288 HE1 PHE 36 HE2 PHE 36 -0.495 9.561 -0.851 289 HE2 PHE 36 HE1 PHE 36 -0.049 11.245 3.039 290 HZ PHE 36 HZ PHE 36 0.084 11.471 0.590 291 H ASP 37 H ASP 37 0.068 6.006 5.201 292 HA ASP 37 HA ASP 37 2.342 7.664 5.174 293 HB2 ASP 37 1HB ASP 37 0.893 7.395 7.145 294 HB3 ASP 37 2HB ASP 37 1.406 5.720 7.303 295 H PHE 38 H PHE 38 1.964 4.176 5.423 296 HA PHE 38 HA PHE 38 4.594 3.403 5.836 297 HB2 PHE 38 1HB PHE 38 2.800 1.833 6.046 298 HB3 PHE 38 2HB PHE 38 2.324 2.061 4.369 299 HD1 PHE 38 HD2 PHE 38 5.254 0.961 6.389 300 HD2 PHE 38 HD1 PHE 38 2.981 0.498 2.823 301 HE1 PHE 38 HE2 PHE 38 6.657 -0.951 5.744 302 HE2 PHE 38 HE1 PHE 38 4.378 -1.414 2.175 303 HZ PHE 38 HZ PHE 38 6.218 -2.142 3.637 304 H LEU 39 H LEU 39 2.902 4.015 2.788 305 HA LEU 39 HA LEU 39 4.921 3.067 1.074 306 HB2 LEU 39 1HB LEU 39 2.786 5.133 0.549 307 HB3 LEU 39 2HB LEU 39 3.737 4.325 -0.681 308 HG LEU 39 HG LEU 39 1.818 2.954 1.201 309 HD11 LEU 39 1HD1 LEU 39 1.549 3.625 -1.724 310 HD12 LEU 39 2HD1 LEU 39 0.670 4.389 -0.401 311 HD13 LEU 39 3HD1 LEU 39 0.405 2.684 -0.768 312 HD21 LEU 39 3HD2 LEU 39 2.149 1.013 -0.245 313 HD22 LEU 39 1HD2 LEU 39 3.661 1.514 0.513 314 HD23 LEU 39 2HD2 LEU 39 3.348 1.910 -1.178 315 H GLN 40 H GLN 40 4.726 5.991 2.867 316 HA GLN 40 HA GLN 40 6.660 7.311 1.110 317 HB2 GLN 40 1HB GLN 40 5.100 8.326 3.490 318 HB3 GLN 40 2HB GLN 40 6.300 9.279 2.630 319 HG2 GLN 40 1HG GLN 40 4.972 9.113 0.589 320 HG3 GLN 40 2HG GLN 40 3.769 8.155 1.454 321 HE21 GLN 40 2HE2 GLN 40 3.594 10.773 0.098 322 HE22 GLN 40 1HE2 GLN 40 2.963 11.859 1.291 323 H HIS 41 H HIS 41 6.398 5.828 4.252 324 HA HIS 41 HA HIS 41 8.887 6.977 5.157 325 HB2 HIS 41 1HB HIS 41 6.890 5.119 6.404 326 HB3 HIS 41 2HB HIS 41 8.482 5.341 7.127 327 HD1 HIS 41 HD1 HIS 41 8.858 7.438 8.487 328 HD2 HIS 41 HD2 HIS 41 5.292 7.516 6.349 329 HE1 HIS 41 HE1 HIS 41 7.620 9.465 9.306 330 HE2 HIS 41 HE2 HIS 41 5.391 9.383 8.137 331 H GLU 42 H GLU 42 7.770 3.806 4.014 332 HA GLU 42 HA GLU 42 10.452 3.129 3.286 333 HB2 GLU 42 1HB GLU 42 10.353 2.674 5.785 334 HB3 GLU 42 2HB GLU 42 9.210 1.391 5.417 335 HG2 GLU 42 1HG GLU 42 10.848 0.205 4.153 336 HG3 GLU 42 2HG GLU 42 11.983 1.548 4.271 337 H TRP 43 H TRP 43 9.278 3.003 1.282 338 HA TRP 43 HA TRP 43 7.915 0.405 0.994 339 HB2 TRP 43 1HB TRP 43 6.466 2.321 0.465 340 HB3 TRP 43 2HB TRP 43 7.639 2.888 -0.715 341 HD1 TRP 43 HD1 TRP 43 6.859 2.392 -3.069 342 HE1 TRP 43 HE1 TRP 43 5.564 0.509 -4.249 343 HE3 TRP 43 HE3 TRP 43 5.984 -0.642 0.953 344 HZ2 TRP 43 HZ2 TRP 43 4.338 -1.934 -3.570 345 HZ3 TRP 43 HZ3 TRP 43 4.745 -2.735 0.598 346 HH2 TRP 43 HH2 TRP 43 3.940 -3.367 -1.616 347 HA PRO 44 HA PRO 44 11.852 -0.526 -0.945 348 HB2 PRO 44 1HB PRO 44 10.552 -3.127 -1.456 349 HB3 PRO 44 2HB PRO 44 12.043 -2.766 -0.582 350 HG2 PRO 44 1HG PRO 44 9.822 -3.513 0.706 351 HG3 PRO 44 2HG PRO 44 10.929 -2.310 1.396 352 HD2 PRO 44 1HD PRO 44 8.304 -1.905 0.013 353 HD3 PRO 44 2HD PRO 44 8.964 -1.088 1.447 354 H ALA 45 H ALA 45 8.731 -1.183 -2.483 355 HA ALA 45 HA ALA 45 9.876 -1.778 -5.041 356 HB1 ALA 45 3HB ALA 45 7.586 -1.796 -5.858 357 HB2 ALA 45 1HB ALA 45 7.024 -1.096 -4.340 358 HB3 ALA 45 2HB ALA 45 7.720 -2.717 -4.360 359 H ARG 46 H ARG 46 10.903 -0.268 -6.161 360 HA ARG 46 HA ARG 46 9.968 2.507 -5.956 361 HB2 ARG 46 1HB ARG 46 12.590 1.541 -7.096 362 HB3 ARG 46 2HB ARG 46 12.155 3.190 -6.665 363 HG2 ARG 46 1HG ARG 46 11.924 2.403 -4.295 364 HG3 ARG 46 2HG ARG 46 12.631 0.873 -4.814 365 HD2 ARG 46 1HD ARG 46 14.551 2.280 -5.738 366 HD3 ARG 46 2HD ARG 46 13.885 3.600 -4.777 367 HE ARG 46 HE ARG 46 15.267 1.246 -3.816 368 HH11 ARG 46 1HH1 ARG 46 13.179 3.934 -2.978 369 HH12 ARG 46 2HH1 ARG 46 13.579 3.884 -1.294 370 HH21 ARG 46 1HH2 ARG 46 15.794 1.182 -1.594 371 HH22 ARG 46 2HH2 ARG 46 15.069 2.327 -0.503 372 H GLY 47 H GLY 47 10.730 3.735 -8.121 373 HA2 GLY 47 1HA GLY 47 10.644 3.245 -10.607 374 HA3 GLY 47 2HA GLY 47 9.168 2.367 -10.222 375 H ASP 48 H ASP 48 8.735 4.469 -8.088 376 HA ASP 48 HA ASP 48 7.679 6.414 -7.732 377 HB2 ASP 48 1HB ASP 48 9.125 7.073 -10.245 378 HB3 ASP 48 2HB ASP 48 7.866 8.173 -9.688 379 H ARG 49 H ARG 49 7.114 5.474 -11.135 380 HA ARG 49 HA ARG 49 4.551 6.619 -11.261 381 HB2 ARG 49 1HB ARG 49 5.793 4.365 -12.833 382 HB3 ARG 49 2HB ARG 49 4.214 5.049 -13.206 383 HG2 ARG 49 1HG ARG 49 5.206 7.218 -13.596 384 HG3 ARG 49 2HG ARG 49 6.791 6.605 -13.126 385 HD2 ARG 49 1HD ARG 49 5.173 5.598 -15.461 386 HD3 ARG 49 2HD ARG 49 6.481 6.774 -15.577 387 HE ARG 49 HE ARG 49 6.756 3.926 -14.896 388 HH11 ARG 49 1HH1 ARG 49 8.216 7.002 -15.729 389 HH12 ARG 49 2HH1 ARG 49 9.773 6.315 -16.055 390 HH21 ARG 49 1HH2 ARG 49 8.790 3.023 -15.351 391 HH22 ARG 49 2HH2 ARG 49 10.098 4.050 -15.867 392 H ALA 50 H ALA 50 5.498 3.242 -10.603 393 HA ALA 50 HA ALA 50 2.860 2.379 -9.987 394 HB1 ALA 50 3HB ALA 50 4.624 0.807 -10.590 395 HB2 ALA 50 1HB ALA 50 3.946 0.412 -9.011 396 HB3 ALA 50 2HB ALA 50 5.509 1.221 -9.122 397 H HIS 51 H HIS 51 5.388 3.928 -8.175 398 HA HIS 51 HA HIS 51 4.383 3.425 -5.567 399 HB2 HIS 51 1HB HIS 51 6.713 4.071 -5.970 400 HB3 HIS 51 2HB HIS 51 6.192 5.629 -6.594 401 HD1 HIS 51 HD1 HIS 51 6.490 7.446 -4.965 402 HD2 HIS 51 HD2 HIS 51 5.717 3.808 -3.091 403 HE1 HIS 51 HE1 HIS 51 6.612 7.910 -2.491 404 HE2 HIS 51 HE2 HIS 51 6.291 5.666 -1.382 405 H GLU 52 H GLU 52 4.077 6.138 -7.817 406 HA GLU 52 HA GLU 52 2.491 7.796 -6.174 407 HB2 GLU 52 1HB GLU 52 3.786 8.395 -8.303 408 HB3 GLU 52 2HB GLU 52 2.419 7.736 -9.190 409 HG2 GLU 52 1HG GLU 52 2.175 10.100 -9.078 410 HG3 GLU 52 2HG GLU 52 0.954 9.371 -8.035 411 H GLN 53 H GLN 53 1.746 5.235 -8.458 412 HA GLN 53 HA GLN 53 -1.017 5.575 -8.686 413 HB2 GLN 53 1HB GLN 53 0.319 4.026 -10.073 414 HB3 GLN 53 2HB GLN 53 0.546 2.985 -8.676 415 HG2 GLN 53 1HG GLN 53 -1.903 2.657 -8.574 416 HG3 GLN 53 2HG GLN 53 -2.059 3.614 -10.046 417 HE21 GLN 53 2HE2 GLN 53 -1.294 2.781 -11.995 418 HE22 GLN 53 1HE2 GLN 53 -0.973 1.087 -12.201 419 H ALA 54 H ALA 54 0.825 3.524 -6.438 420 HA ALA 54 HA ALA 54 -1.355 2.584 -4.947 421 HB1 ALA 54 3HB ALA 54 0.869 1.569 -4.850 422 HB2 ALA 54 1HB ALA 54 0.287 1.989 -3.240 423 HB3 ALA 54 2HB ALA 54 1.492 3.004 -4.034 424 H LEU 55 H LEU 55 0.683 5.439 -4.555 425 HA LEU 55 HA LEU 55 -0.389 6.366 -2.130 426 HB2 LEU 55 1HB LEU 55 0.809 7.887 -4.443 427 HB3 LEU 55 2HB LEU 55 0.435 8.601 -2.888 428 HG LEU 55 HG LEU 55 2.403 6.349 -3.296 429 HD11 LEU 55 1HD1 LEU 55 2.884 9.298 -2.890 430 HD12 LEU 55 2HD1 LEU 55 3.167 8.395 -4.379 431 HD13 LEU 55 3HD1 LEU 55 4.124 8.045 -2.940 432 HD21 LEU 55 3HD2 LEU 55 3.096 6.881 -1.015 433 HD22 LEU 55 1HD2 LEU 55 1.400 6.402 -1.070 434 HD23 LEU 55 2HD2 LEU 55 1.830 8.104 -0.911 435 H ARG 56 H ARG 56 -1.313 6.970 -5.493 436 HA ARG 56 HA ARG 56 -3.273 8.918 -4.983 437 HB2 ARG 56 1HB ARG 56 -2.202 8.250 -7.213 438 HB3 ARG 56 2HB ARG 56 -3.389 6.955 -7.262 439 HG2 ARG 56 1HG ARG 56 -5.184 8.645 -7.114 440 HG3 ARG 56 2HG ARG 56 -3.955 9.908 -7.181 441 HD2 ARG 56 1HD ARG 56 -4.696 7.912 -9.302 442 HD3 ARG 56 2HD ARG 56 -4.788 9.669 -9.382 443 HE ARG 56 HE ARG 56 -2.456 8.007 -9.815 444 HH11 ARG 56 1HH1 ARG 56 -3.557 11.242 -9.009 445 HH12 ARG 56 2HH1 ARG 56 -2.172 12.019 -9.709 446 HH21 ARG 56 1HH2 ARG 56 -0.644 9.023 -10.720 447 HH22 ARG 56 2HH2 ARG 56 -0.511 10.760 -10.699 448 H LEU 57 H LEU 57 -3.463 5.400 -5.225 449 HA LEU 57 HA LEU 57 -6.243 5.117 -5.012 450 HB2 LEU 57 1HB LEU 57 -4.074 3.282 -3.983 451 HB3 LEU 57 2HB LEU 57 -5.754 2.837 -4.217 452 HG LEU 57 HG LEU 57 -3.904 3.709 -6.436 453 HD11 LEU 57 1HD1 LEU 57 -4.781 0.939 -5.636 454 HD12 LEU 57 2HD1 LEU 57 -3.154 1.605 -5.477 455 HD13 LEU 57 3HD1 LEU 57 -3.852 1.354 -7.077 456 HD21 LEU 57 3HD2 LEU 57 -6.254 4.141 -6.900 457 HD22 LEU 57 1HD2 LEU 57 -6.656 2.474 -6.482 458 HD23 LEU 57 2HD2 LEU 57 -5.656 2.813 -7.895 459 H CYS 58 H CYS 58 -3.730 5.265 -2.525 460 HA CYS 58 HA CYS 58 -5.450 4.944 -0.310 461 HB2 CYS 58 1HB CYS 58 -2.774 6.350 -0.444 462 HB3 CYS 58 2HB CYS 58 -3.572 5.784 1.021 463 HG CYS 58 HG CYS 58 -2.189 3.888 -1.461 464 H ARG 59 H ARG 59 -4.231 7.803 -2.000 465 HA ARG 59 HA ARG 59 -5.268 9.746 -0.267 466 HB2 ARG 59 1HB ARG 59 -4.724 9.871 -3.231 467 HB3 ARG 59 2HB ARG 59 -5.157 11.268 -2.258 468 HG2 ARG 59 1HG ARG 59 -3.156 11.000 -0.928 469 HG3 ARG 59 2HG ARG 59 -2.733 9.540 -1.828 470 HD2 ARG 59 1HD ARG 59 -2.664 10.904 -3.898 471 HD3 ARG 59 2HD ARG 59 -2.945 12.341 -2.917 472 HE ARG 59 HE ARG 59 -0.795 11.788 -1.788 473 HH11 ARG 59 1HH1 ARG 59 -1.468 10.644 -5.020 474 HH12 ARG 59 2HH1 ARG 59 0.211 10.498 -5.458 475 HH21 ARG 59 1HH2 ARG 59 1.414 11.600 -2.368 476 HH22 ARG 59 2HH2 ARG 59 1.834 11.033 -3.960 477 H ALA 60 H ALA 60 -6.698 8.226 -3.145 478 HA ALA 60 HA ALA 60 -9.059 9.751 -3.204 479 HB1 ALA 60 3HB ALA 60 -9.994 7.940 -4.562 480 HB2 ALA 60 1HB ALA 60 -8.630 6.911 -4.125 481 HB3 ALA 60 2HB ALA 60 -8.363 8.371 -5.082 482 H SER 61 H SER 61 -8.251 6.761 -1.516 483 HA SER 61 HA SER 61 -10.803 6.205 -0.467 484 HB2 SER 61 1HB SER 61 -8.116 5.577 0.782 485 HB3 SER 61 2HB SER 61 -9.641 4.743 1.083 486 HG SER 61 HG SER 61 -8.053 4.733 -1.264 487 H LEU 62 H LEU 62 -8.117 8.164 0.666 488 HA LEU 62 HA LEU 62 -9.472 8.910 3.117 489 HB2 LEU 62 1HB LEU 62 -6.891 9.915 1.907 490 HB3 LEU 62 2HB LEU 62 -7.461 10.261 3.528 491 HG LEU 62 HG LEU 62 -6.817 7.477 2.559 492 HD11 LEU 62 1HD1 LEU 62 -4.721 7.712 3.817 493 HD12 LEU 62 2HD1 LEU 62 -5.091 9.413 4.097 494 HD13 LEU 62 3HD1 LEU 62 -4.808 8.831 2.457 495 HD21 LEU 62 3HD2 LEU 62 -7.222 8.633 5.315 496 HD22 LEU 62 1HD2 LEU 62 -6.753 6.971 4.957 497 HD23 LEU 62 2HD2 LEU 62 -8.335 7.569 4.457 498 H MET 63 H MET 63 -10.164 9.703 0.135 499 HA MET 63 HA MET 63 -10.355 12.597 0.627 500 HB2 MET 63 1HB MET 63 -8.978 11.998 -1.327 501 HB3 MET 63 2HB MET 63 -10.349 11.149 -2.026 502 HG2 MET 63 1HG MET 63 -11.587 13.234 -2.179 503 HG3 MET 63 2HG MET 63 -10.249 14.100 -1.427 504 HE1 MET 63 3HE MET 63 -11.499 12.144 -4.571 505 HE2 MET 63 1HE MET 63 -10.079 11.200 -4.119 506 HE3 MET 63 2HE MET 63 -10.073 12.148 -5.608 507 H GLY 64 H GLY 64 -12.118 9.922 -1.010 508 HA2 GLY 64 1HA GLY 64 -14.589 10.977 0.048 509 HA3 GLY 64 2HA GLY 64 -14.400 11.232 -1.675 510 H ASP 65 H ASP 65 -13.578 8.962 -2.769 511 HA ASP 65 HA ASP 65 -15.655 7.079 -1.914 512 HB2 ASP 65 1HB ASP 65 -16.796 8.476 -3.461 513 HB3 ASP 65 2HB ASP 65 -15.455 8.435 -4.598 514 H VAL 66 H VAL 66 -13.904 5.738 -1.314 515 HA VAL 66 HA VAL 66 -13.416 3.910 -3.546 516 HB VAL 66 HB VAL 66 -11.349 4.662 -1.469 517 HG11 VAL 66 1HG1 VAL 66 -11.360 2.323 -3.375 518 HG12 VAL 66 2HG1 VAL 66 -11.393 2.248 -1.613 519 HG13 VAL 66 3HG1 VAL 66 -9.963 2.862 -2.445 520 HG21 VAL 66 3HG2 VAL 66 -9.919 5.059 -3.410 521 HG22 VAL 66 1HG2 VAL 66 -11.368 6.065 -3.467 522 HG23 VAL 66 2HG2 VAL 66 -11.250 4.626 -4.481 523 H ALA 67 H ALA 67 -14.250 1.966 -3.096 524 HA ALA 67 HA ALA 67 -15.363 1.550 -0.460 525 HB1 ALA 67 3HB ALA 67 -16.563 -0.308 -1.440 526 HB2 ALA 67 1HB ALA 67 -15.611 -0.173 -2.917 527 HB3 ALA 67 2HB ALA 67 -16.716 1.123 -2.460 528 H GLY 68 H GLY 68 -13.283 1.312 0.585 529 HA2 GLY 68 1HA GLY 68 -11.714 0.004 1.665 530 HA3 GLY 68 2HA GLY 68 -13.120 -1.017 1.852 531 H GLU 69 H GLU 69 -13.350 -2.854 0.579 532 HA GLU 69 HA GLU 69 -11.084 -4.385 0.251 533 HB2 GLU 69 1HB GLU 69 -13.390 -5.251 0.463 534 HB3 GLU 69 2HB GLU 69 -13.718 -4.743 -1.187 535 HG2 GLU 69 1HG GLU 69 -12.036 -6.287 -2.016 536 HG3 GLU 69 2HG GLU 69 -11.655 -6.774 -0.365 537 H ILE 70 H ILE 70 -12.666 -2.343 -2.149 538 HA ILE 70 HA ILE 70 -11.353 -3.291 -4.444 539 HB ILE 70 HB ILE 70 -12.253 -0.461 -3.860 540 HG12 ILE 70 1HG1 ILE 70 -13.672 -2.733 -5.271 541 HG13 ILE 70 2HG1 ILE 70 -14.059 -2.129 -3.665 542 HG21 ILE 70 1HG2 ILE 70 -12.322 -0.203 -6.300 543 HG22 ILE 70 2HG2 ILE 70 -11.629 -1.815 -6.482 544 HG23 ILE 70 3HG2 ILE 70 -10.692 -0.532 -5.717 545 HD11 ILE 70 3HD1 ILE 70 -15.620 -1.293 -5.321 546 HD12 ILE 70 1HD1 ILE 70 -14.290 -0.580 -6.235 547 HD13 ILE 70 2HD1 ILE 70 -14.679 0.027 -4.625 548 H ALA 71 H ALA 71 -10.466 -0.650 -2.225 549 HA ALA 71 HA ALA 71 -8.031 0.046 -3.403 550 HB1 ALA 71 3HB ALA 71 -9.160 1.372 -1.663 551 HB2 ALA 71 1HB ALA 71 -7.465 1.074 -1.288 552 HB3 ALA 71 2HB ALA 71 -8.727 0.151 -0.470 553 H ARG 72 H ARG 72 -8.858 -2.555 -1.184 554 HA ARG 72 HA ARG 72 -6.225 -3.217 -0.402 555 HB2 ARG 72 1HB ARG 72 -8.244 -4.045 0.768 556 HB3 ARG 72 2HB ARG 72 -8.606 -5.066 -0.617 557 HG2 ARG 72 1HG ARG 72 -6.384 -6.170 -0.268 558 HG3 ARG 72 2HG ARG 72 -6.253 -5.267 1.242 559 HD2 ARG 72 1HD ARG 72 -8.382 -6.281 1.985 560 HD3 ARG 72 2HD ARG 72 -8.405 -7.243 0.507 561 HE ARG 72 HE ARG 72 -6.656 -7.596 2.812 562 HH11 ARG 72 1HH1 ARG 72 -7.474 -8.520 -0.464 563 HH12 ARG 72 2HH1 ARG 72 -6.579 -10.007 -0.407 564 HH21 ARG 72 1HH2 ARG 72 -5.523 -9.600 2.911 565 HH22 ARG 72 2HH2 ARG 72 -5.499 -10.637 1.511 566 H THR 73 H THR 73 -8.329 -4.654 -2.895 567 HA THR 73 HA THR 73 -6.410 -6.438 -3.915 568 HB THR 73 HB THR 73 -8.677 -5.165 -5.461 569 HG1 THR 73 HG1 THR 73 -9.600 -7.377 -4.683 570 HG21 THR 73 3HG2 THR 73 -7.109 -6.437 -6.842 571 HG22 THR 73 1HG2 THR 73 -8.656 -7.278 -6.715 572 HG23 THR 73 2HG2 THR 73 -7.274 -7.825 -5.766 573 H ALA 74 H ALA 74 -7.203 -3.094 -4.748 574 HA ALA 74 HA ALA 74 -5.470 -2.874 -6.972 575 HB1 ALA 74 3HB ALA 74 -6.437 -0.714 -5.100 576 HB2 ALA 74 1HB ALA 74 -7.282 -1.289 -6.537 577 HB3 ALA 74 2HB ALA 74 -5.730 -0.465 -6.696 578 H PHE 75 H PHE 75 -5.012 -2.449 -3.513 579 HA PHE 75 HA PHE 75 -2.398 -1.362 -3.648 580 HB2 PHE 75 1HB PHE 75 -3.949 -1.304 -1.647 581 HB3 PHE 75 2HB PHE 75 -3.549 -2.997 -1.380 582 HD1 PHE 75 HD2 PHE 75 -2.205 0.430 -1.418 583 HD2 PHE 75 HD1 PHE 75 -1.493 -3.636 -0.385 584 HE1 PHE 75 HE2 PHE 75 -0.233 1.111 -0.114 585 HE2 PHE 75 HE1 PHE 75 0.480 -2.962 0.921 586 HZ PHE 75 HZ PHE 75 1.112 -0.587 1.057 587 H VAL 76 H VAL 76 -3.676 -4.650 -3.473 588 HA VAL 76 HA VAL 76 -1.188 -5.980 -3.256 589 HB VAL 76 HB VAL 76 -3.831 -6.920 -4.389 590 HG11 VAL 76 1HG1 VAL 76 -2.034 -8.238 -5.375 591 HG12 VAL 76 2HG1 VAL 76 -2.936 -9.202 -4.204 592 HG13 VAL 76 3HG1 VAL 76 -1.358 -8.539 -3.774 593 HG21 VAL 76 3HG2 VAL 76 -2.464 -7.476 -1.755 594 HG22 VAL 76 1HG2 VAL 76 -4.026 -8.116 -2.271 595 HG23 VAL 76 2HG2 VAL 76 -3.830 -6.384 -1.997 596 H ALA 77 H ALA 77 -3.085 -4.870 -6.016 597 HA ALA 77 HA ALA 77 -1.433 -5.965 -8.033 598 HB1 ALA 77 3HB ALA 77 -3.705 -5.184 -8.477 599 HB2 ALA 77 1HB ALA 77 -2.540 -4.390 -9.535 600 HB3 ALA 77 2HB ALA 77 -3.205 -3.525 -8.149 601 H ALA 78 H ALA 78 -1.245 -3.047 -6.114 602 HA ALA 78 HA ALA 78 0.884 -1.892 -7.668 603 HB1 ALA 78 3HB ALA 78 -0.665 -0.476 -6.417 604 HB2 ALA 78 1HB ALA 78 0.999 -0.222 -5.895 605 HB3 ALA 78 2HB ALA 78 -0.098 -1.185 -4.905 606 H SER 79 H SER 79 0.618 -3.699 -4.632 607 HA SER 79 HA SER 79 3.403 -3.517 -4.033 608 HB2 SER 79 1HB SER 79 2.828 -5.329 -2.335 609 HB3 SER 79 2HB SER 79 1.956 -3.804 -2.175 610 HG SER 79 HG SER 79 0.144 -4.733 -2.891 611 H ARG 80 H ARG 80 1.651 -5.379 -6.232 612 HA ARG 80 HA ARG 80 3.143 -7.757 -6.303 613 HB2 ARG 80 1HB ARG 80 1.006 -7.150 -7.613 614 HB3 ARG 80 2HB ARG 80 2.086 -6.382 -8.768 615 HG2 ARG 80 1HG ARG 80 3.288 -8.632 -8.877 616 HG3 ARG 80 2HG ARG 80 1.872 -9.287 -8.056 617 HD2 ARG 80 1HD ARG 80 1.521 -9.611 -10.377 618 HD3 ARG 80 2HD ARG 80 0.480 -8.272 -9.893 619 HE ARG 80 HE ARG 80 2.940 -7.232 -10.770 620 HH11 ARG 80 1HH1 ARG 80 0.108 -8.846 -12.064 621 HH12 ARG 80 2HH1 ARG 80 0.291 -8.164 -13.656 622 HH21 ARG 80 1HH2 ARG 80 3.173 -6.326 -12.840 623 HH22 ARG 80 2HH2 ARG 80 2.039 -6.715 -14.095 624 H GLN 81 H GLN 81 3.833 -4.524 -7.293 625 HA GLN 81 HA GLN 81 6.012 -5.080 -9.032 626 HB2 GLN 81 1HB GLN 81 5.218 -2.603 -7.500 627 HB3 GLN 81 2HB GLN 81 6.566 -2.652 -8.628 628 HG2 GLN 81 1HG GLN 81 3.731 -3.326 -9.371 629 HG3 GLN 81 2HG GLN 81 4.455 -1.731 -9.567 630 HE21 GLN 81 2HE2 GLN 81 3.392 -3.620 -11.558 631 HE22 GLN 81 1HE2 GLN 81 4.693 -3.903 -12.669 632 H ALA 82 H ALA 82 5.668 -5.307 -5.669 633 HA ALA 82 HA ALA 82 8.478 -4.881 -5.076 634 HB1 ALA 82 3HB ALA 82 6.801 -4.297 -3.400 635 HB2 ALA 82 1HB ALA 82 7.890 -5.546 -2.796 636 HB3 ALA 82 2HB ALA 82 6.267 -5.976 -3.338 637 H HIS 83 H HIS 83 6.595 -7.316 -6.367 638 HA HIS 83 HA HIS 83 7.029 -9.426 -7.054 639 HB2 HIS 83 1HB HIS 83 9.863 -8.815 -6.186 640 HB3 HIS 83 2HB HIS 83 9.374 -10.195 -7.163 641 HD1 HIS 83 HD1 HIS 83 8.594 -9.672 -9.630 642 HD2 HIS 83 HD2 HIS 83 10.185 -6.434 -7.557 643 HE1 HIS 83 HE1 HIS 83 9.069 -7.917 -11.369 644 HE2 HIS 83 HE2 HIS 83 9.914 -5.923 -10.080 645 H CYS 84 H CYS 84 6.310 -8.819 -4.221 646 HA CYS 84 HA CYS 84 6.658 -11.503 -3.239 647 HB2 CYS 84 1HB CYS 84 8.694 -10.315 -2.413 648 HB3 CYS 84 2HB CYS 84 7.648 -9.184 -1.562 649 HG CYS 84 HG CYS 84 8.635 -12.243 -0.688 650 H LEU 85 H LEU 85 4.454 -11.688 -3.346 651 HA LEU 85 HA LEU 85 2.825 -9.828 -1.782 652 HB2 LEU 85 1HB LEU 85 2.047 -12.077 -3.643 653 HB3 LEU 85 2HB LEU 85 0.907 -11.070 -2.773 654 HG LEU 85 HG LEU 85 2.863 -10.076 -4.843 655 HD11 LEU 85 1HD1 LEU 85 1.138 -11.446 -5.854 656 HD12 LEU 85 2HD1 LEU 85 0.865 -9.747 -6.232 657 HD13 LEU 85 3HD1 LEU 85 -0.110 -10.543 -4.998 658 HD21 LEU 85 3HD2 LEU 85 2.349 -8.400 -3.154 659 HD22 LEU 85 1HD2 LEU 85 0.623 -8.675 -3.391 660 HD23 LEU 85 2HD2 LEU 85 1.594 -7.991 -4.695 661 H MET 86 H MET 86 1.649 -10.448 0.009 662 HA MET 86 HA MET 86 2.723 -12.626 1.503 663 HB2 MET 86 1HB MET 86 1.895 -10.547 2.566 664 HB3 MET 86 2HB MET 86 0.256 -10.979 2.092 665 HG2 MET 86 1HG MET 86 0.533 -13.086 3.423 666 HG3 MET 86 2HG MET 86 2.049 -12.421 4.027 667 HE1 MET 86 3HE MET 86 -1.844 -12.089 3.938 668 HE2 MET 86 1HE MET 86 -1.341 -10.548 3.246 669 HE3 MET 86 2HE MET 86 -2.110 -10.594 4.834 670 H GLU 87 H GLU 87 -0.182 -12.154 -0.393 671 HA GLU 87 HA GLU 87 -1.418 -14.574 0.569 672 HB2 GLU 87 1HB GLU 87 -2.246 -12.889 -1.800 673 HB3 GLU 87 2HB GLU 87 -3.238 -14.037 -0.906 674 HG2 GLU 87 1HG GLU 87 -2.823 -12.542 1.123 675 HG3 GLU 87 2HG GLU 87 -2.249 -11.345 -0.034 676 H ASP 88 H ASP 88 -1.589 -16.501 -0.475 677 HA ASP 88 HA ASP 88 -0.700 -18.278 -1.552 678 HB2 ASP 88 1HB ASP 88 -0.821 -16.308 -3.840 679 HB3 ASP 88 2HB ASP 88 -0.368 -17.996 -4.055 680 H LYS 89 H LYS 89 1.108 -17.736 -0.048 681 HA LYS 89 HA LYS 89 3.595 -17.288 -1.562 682 HB2 LYS 89 1HB LYS 89 3.099 -15.271 -0.308 683 HB3 LYS 89 2HB LYS 89 2.839 -16.198 1.158 684 HG2 LYS 89 1HG LYS 89 5.179 -16.758 1.274 685 HG3 LYS 89 2HG LYS 89 5.475 -15.970 -0.278 686 HD2 LYS 89 1HD LYS 89 5.245 -13.853 0.603 687 HD3 LYS 89 2HD LYS 89 4.237 -14.406 1.942 688 HE2 LYS 89 1HE LYS 89 7.157 -15.093 1.669 689 HE3 LYS 89 2HE LYS 89 6.569 -13.689 2.563 690 HZ1 LYS 89 3HZ LYS 89 6.961 -15.611 4.005 691 HZ2 LYS 89 1HZ LYS 89 5.818 -16.510 3.136 692 HZ3 LYS 89 2HZ LYS 89 5.336 -15.145 4.017 693 H ALA 90 H ALA 90 1.846 -19.509 -0.065 694 HA ALA 90 HA ALA 90 3.812 -20.682 1.700 695 HB1 ALA 90 3HB ALA 90 1.421 -20.881 2.184 696 HB2 ALA 90 1HB ALA 90 2.170 -22.466 1.990 697 HB3 ALA 90 2HB ALA 90 1.192 -21.787 0.688 698 H GLU 91 H GLU 91 4.922 -20.302 -0.750 699 HA GLU 91 HA GLU 91 6.195 -21.281 -2.324 700 HB2 GLU 91 1HB GLU 91 5.408 -23.849 -0.944 701 HB3 GLU 91 2HB GLU 91 6.576 -23.749 -2.255 702 HG2 GLU 91 1HG GLU 91 6.803 -22.450 0.451 703 HG3 GLU 91 2HG GLU 91 7.718 -23.839 -0.135 704 H ALA 92 H ALA 92 5.786 -21.471 -4.394 705 HA ALA 92 HA ALA 92 3.126 -22.447 -5.172 706 HB1 ALA 92 3HB ALA 92 3.509 -20.072 -5.606 707 HB2 ALA 92 1HB ALA 92 3.305 -20.975 -7.107 708 HB3 ALA 92 2HB ALA 92 4.915 -20.477 -6.590 709 HA PRO 93 HA PRO 93 5.651 -25.562 -7.266 710 HB2 PRO 93 1HB PRO 93 3.779 -27.489 -7.281 711 HB3 PRO 93 2HB PRO 93 4.704 -27.098 -5.826 712 HG2 PRO 93 1HG PRO 93 1.908 -26.355 -6.552 713 HG3 PRO 93 2HG PRO 93 2.578 -26.794 -4.973 714 HD2 PRO 93 1HD PRO 93 2.086 -24.204 -5.838 715 HD3 PRO 93 2HD PRO 93 3.183 -24.650 -4.518 716 H ASN 94 H ASN 94 2.565 -24.203 -8.066 717 HA ASN 94 HA ASN 94 3.023 -24.775 -10.910 718 HB2 ASN 94 1HB ASN 94 0.645 -25.491 -9.273 719 HB3 ASN 94 2HB ASN 94 0.323 -24.808 -10.860 720 HD21 ASN 94 2HD2 ASN 94 3.191 -26.707 -10.325 721 HD22 ASN 94 1HD2 ASN 94 2.654 -28.112 -11.187 722 H THR 95 H THR 95 2.369 -23.132 -12.303 723 HA THR 95 HA THR 95 1.661 -20.602 -10.981 724 HB THR 95 HB THR 95 2.335 -19.550 -13.146 725 HG1 THR 95 HG1 THR 95 3.789 -21.644 -14.068 726 HG21 THR 95 3HG2 THR 95 4.747 -19.889 -12.848 727 HG22 THR 95 1HG2 THR 95 4.421 -21.301 -11.842 728 HG23 THR 95 2HG2 THR 95 3.923 -19.697 -11.299 729 H ILE 96 H ILE 96 0.285 -19.124 -12.509 730 HA ILE 96 HA ILE 96 -2.217 -20.436 -12.884 731 HB ILE 96 HB ILE 96 -3.014 -18.291 -13.802 732 HG12 ILE 96 1HG1 ILE 96 -0.157 -17.366 -13.415 733 HG13 ILE 96 2HG1 ILE 96 -0.928 -17.643 -14.972 734 HG21 ILE 96 1HG2 ILE 96 -2.664 -16.958 -11.768 735 HG22 ILE 96 2HG2 ILE 96 -1.372 -18.057 -11.285 736 HG23 ILE 96 3HG2 ILE 96 -3.031 -18.645 -11.406 737 HD11 ILE 96 3HD1 ILE 96 -1.726 -15.574 -12.937 738 HD12 ILE 96 1HD1 ILE 96 -2.534 -15.862 -14.478 739 HD13 ILE 96 2HD1 ILE 96 -0.868 -15.284 -14.451 740 H ALA 97 H ALA 97 0.517 -20.211 -14.824 741 HA ALA 97 HA ALA 97 -0.776 -20.191 -17.386 742 HB1 ALA 97 3HB ALA 97 2.061 -20.892 -16.644 743 HB2 ALA 97 1HB ALA 97 1.476 -19.293 -17.104 744 HB3 ALA 97 2HB ALA 97 1.457 -20.609 -18.278 745 H SER 98 H SER 98 -0.307 -22.562 -15.016 746 HA SER 98 HA SER 98 -0.188 -24.777 -16.872 747 HB2 SER 98 1HB SER 98 -0.351 -26.200 -14.845 748 HB3 SER 98 2HB SER 98 0.954 -25.023 -14.730 749 HG SER 98 HG SER 98 -0.327 -23.776 -13.367 750 H GLY 99 H GLY 99 -1.945 -25.135 -18.044 751 HA2 GLY 99 1HA GLY 99 -4.560 -25.060 -16.669 752 HA3 GLY 99 2HA GLY 99 -4.339 -24.425 -18.294 753 H SER 100 H SER 100 -2.451 -27.145 -17.763 754 HA SER 100 HA SER 100 -4.542 -28.996 -18.620 755 HB2 SER 100 1HB SER 100 -2.843 -29.955 -20.284 756 HB3 SER 100 2HB SER 100 -3.603 -28.425 -20.721 757 HG SER 100 HG SER 100 -0.969 -29.006 -20.133
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