NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
620833 | 5o2q | 34143 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 GLY 1 2H0 GLY 1 3.264 4.353 2.165 2 H GLY 1 1H0 GLY 1 2.875 5.323 3.442 3 HA2 GLY 1 1HA GLY 1 4.771 6.825 2.777 4 HA3 GLY 1 2HA GLY 1 5.238 5.242 3.422 5 H SER 2 H SER 2 6.571 7.228 1.626 6 HA SER 2 HA SER 2 6.753 6.094 -1.003 7 HB2 SER 2 1HB SER 2 8.868 7.669 0.522 8 HB3 SER 2 2HB SER 2 8.723 7.497 -1.241 9 HG SER 2 HG SER 2 6.689 8.583 -1.066 10 H MET 3 H MET 3 7.705 4.241 -1.642 11 HA MET 3 HA MET 3 9.092 2.639 0.334 12 HB2 MET 3 1HB MET 3 7.451 1.891 -1.526 13 HB3 MET 3 2HB MET 3 8.857 1.937 -2.593 14 HG2 MET 3 1HG MET 3 10.021 0.399 -1.001 15 HG3 MET 3 2HG MET 3 8.526 0.308 -0.061 16 HE1 MET 3 1HE MET 3 10.630 -1.248 -2.779 17 HE2 MET 3 2HE MET 3 9.484 -1.770 -4.034 18 HE3 MET 3 3HE MET 3 9.827 -0.038 -3.811 19 H LYS 4 H LYS 4 10.876 4.065 0.749 20 HA LYS 4 HA LYS 4 12.890 4.509 -1.331 21 HB2 LYS 4 1HB LYS 4 12.223 5.694 1.077 22 HB3 LYS 4 2HB LYS 4 13.687 4.807 1.503 23 HG2 LYS 4 1HG LYS 4 13.522 6.771 -0.835 24 HG3 LYS 4 2HG LYS 4 14.030 7.221 0.803 25 HD2 LYS 4 1HD LYS 4 15.832 5.455 0.646 26 HD3 LYS 4 2HD LYS 4 15.401 5.255 -1.061 27 HE2 LYS 4 1HE LYS 4 15.958 7.613 -1.490 28 HE3 LYS 4 2HE LYS 4 16.385 7.821 0.227 29 HZ1 LYS 4 1HZ LYS 4 18.352 7.329 -1.112 30 HZ2 LYS 4 2HZ LYS 4 17.688 5.914 -1.643 31 HZ3 LYS 4 3HZ LYS 4 18.071 6.095 -0.055 32 H TYR 5 H TYR 5 12.024 1.758 0.237 33 HA TYR 5 HA TYR 5 14.815 0.727 0.294 34 HB2 TYR 5 1HB TYR 5 12.655 0.543 2.402 35 HB3 TYR 5 2HB TYR 5 14.000 -0.587 2.328 36 HD1 TYR 5 HD1 TYR 5 12.950 2.375 3.872 37 HD2 TYR 5 HD2 TYR 5 16.408 0.678 1.960 38 HE1 TYR 5 HE1 TYR 5 14.442 3.942 5.141 39 HE2 TYR 5 HE2 TYR 5 17.877 2.228 3.234 40 HH TYR 5 HH TYR 5 18.012 3.829 4.800 41 H LEU 6 H LEU 6 14.964 -1.617 0.354 42 HA LEU 6 HA LEU 6 13.569 -2.719 -1.883 43 HB2 LEU 6 1HB LEU 6 15.119 -4.156 0.299 44 HB3 LEU 6 2HB LEU 6 14.752 -4.778 -1.300 45 HG LEU 6 HG LEU 6 16.599 -2.453 -0.747 46 HD11 LEU 6 1HD1 LEU 6 17.233 -5.361 -1.409 47 HD12 LEU 6 2HD1 LEU 6 17.456 -4.581 0.178 48 HD13 LEU 6 3HD1 LEU 6 18.414 -4.045 -1.216 49 HD21 LEU 6 1HD2 LEU 6 16.078 -4.033 -3.285 50 HD22 LEU 6 2HD2 LEU 6 17.357 -2.810 -3.064 51 HD23 LEU 6 3HD2 LEU 6 15.651 -2.332 -2.985 52 H ASN 7 H ASN 7 13.228 -3.222 1.616 53 HA ASN 7 HA ASN 7 11.682 -4.289 2.903 54 HB2 ASN 7 1HB ASN 7 9.870 -3.325 0.674 55 HB3 ASN 7 2HB ASN 7 9.284 -4.034 2.189 56 HD21 ASN 7 1HD2 ASN 7 10.388 -0.200 2.086 57 HD22 ASN 7 2HD2 ASN 7 10.380 -1.211 0.656 58 H VAL 8 H VAL 8 13.098 -6.204 1.788 59 HA VAL 8 HA VAL 8 11.118 -8.177 0.718 60 HB VAL 8 HB VAL 8 12.759 -9.108 -0.590 61 HG11 VAL 8 1HG1 VAL 8 14.366 -7.534 -1.464 62 HG12 VAL 8 2HG1 VAL 8 12.884 -6.644 -1.066 63 HG13 VAL 8 3HG1 VAL 8 14.302 -6.563 0.023 64 HG21 VAL 8 1HG2 VAL 8 15.218 -9.169 0.080 65 HG22 VAL 8 2HG2 VAL 8 14.694 -8.575 1.661 66 HG23 VAL 8 3HG2 VAL 8 14.097 -10.125 1.061 67 H LEU 9 H LEU 9 11.380 -10.419 1.644 68 HA LEU 9 HA LEU 9 12.000 -10.198 4.543 69 HB2 LEU 9 1HB LEU 9 10.592 -12.384 2.979 70 HB3 LEU 9 2HB LEU 9 10.831 -12.367 4.721 71 HG LEU 9 HG LEU 9 9.140 -10.398 3.138 72 HD11 LEU 9 1HD1 LEU 9 8.192 -12.673 3.279 73 HD12 LEU 9 2HD1 LEU 9 7.251 -11.513 4.235 74 HD13 LEU 9 3HD1 LEU 9 8.365 -12.633 5.053 75 HD21 LEU 9 1HD2 LEU 9 9.606 -10.634 6.141 76 HD22 LEU 9 2HD2 LEU 9 8.341 -9.644 5.382 77 HD23 LEU 9 3HD2 LEU 9 10.047 -9.264 5.094 78 H ALA 10 H ALA 10 13.560 -11.408 5.552 79 HA ALA 10 HA ALA 10 15.060 -13.369 3.868 80 HB1 ALA 10 1HB ALA 10 16.311 -11.206 5.599 81 HB2 ALA 10 2HB ALA 10 17.178 -12.469 4.690 82 HB3 ALA 10 3HB ALA 10 16.266 -11.219 3.822 83 H LYS 11 H LYS 11 15.930 -15.115 5.029 84 HA LYS 11 HA LYS 11 14.940 -15.358 7.846 85 HB2 LYS 11 1HB LYS 11 14.104 -17.083 6.393 86 HB3 LYS 11 2HB LYS 11 15.713 -17.442 5.771 87 HG2 LYS 11 1HG LYS 11 16.395 -18.478 7.773 88 HG3 LYS 11 2HG LYS 11 15.096 -17.739 8.721 89 HD2 LYS 11 1HD LYS 11 14.548 -19.759 6.533 90 HD3 LYS 11 2HD LYS 11 14.898 -20.216 8.213 91 HE2 LYS 11 1HE LYS 11 13.046 -18.503 8.841 92 HE3 LYS 11 2HE LYS 11 12.557 -18.632 7.145 93 HZ1 LYS 11 1HZ LYS 11 12.250 -21.014 7.495 94 HZ2 LYS 11 2HZ LYS 11 11.325 -20.138 8.545 95 HZ3 LYS 11 3HZ LYS 11 12.698 -20.865 9.080 96 H ALA 12 H ALA 12 16.297 -15.700 9.506 97 HA ALA 12 HA ALA 12 19.172 -15.420 9.144 98 HB1 ALA 12 1HB ALA 12 17.440 -16.159 11.554 99 HB2 ALA 12 2HB ALA 12 19.167 -15.777 11.621 100 HB3 ALA 12 3HB ALA 12 18.011 -14.536 11.130 101 H LEU 13 H LEU 13 20.632 -17.049 8.726 102 HA LEU 13 HA LEU 13 19.685 -19.861 8.828 103 HB2 LEU 13 1HB LEU 13 22.358 -18.645 8.079 104 HB3 LEU 13 2HB LEU 13 21.984 -20.350 8.010 105 HG LEU 13 HG LEU 13 21.808 -19.891 5.857 106 HD11 LEU 13 1HD1 LEU 13 19.052 -18.862 6.591 107 HD12 LEU 13 2HD1 LEU 13 19.515 -20.582 6.531 108 HD13 LEU 13 3HD1 LEU 13 19.551 -19.601 5.054 109 HD21 LEU 13 1HD2 LEU 13 21.388 -17.784 4.853 110 HD22 LEU 13 2HD2 LEU 13 22.495 -17.550 6.211 111 HD23 LEU 13 3HD2 LEU 13 20.773 -17.129 6.384 112 H TYR 14 H TYR 14 21.374 -17.581 10.737 113 HA TYR 14 HA TYR 14 22.107 -19.646 12.737 114 HB2 TYR 14 1HB TYR 14 23.962 -17.415 11.820 115 HB3 TYR 14 2HB TYR 14 24.302 -18.637 13.046 116 HD1 TYR 14 HD1 TYR 14 24.151 -17.910 9.443 117 HD2 TYR 14 HD2 TYR 14 24.817 -20.998 12.367 118 HE1 TYR 14 HE1 TYR 14 25.112 -19.374 7.675 119 HE2 TYR 14 HE2 TYR 14 25.810 -22.446 10.598 120 HH TYR 14 HH TYR 14 26.160 -21.348 7.212 121 H ASP 15 H ASP 15 22.488 -18.415 14.870 122 HA ASP 15 HA ASP 15 20.593 -16.170 15.046 123 HB2 ASP 15 1HB ASP 15 21.105 -16.286 17.451 124 HB3 ASP 15 2HB ASP 15 20.667 -17.879 16.820 125 H ASN 16 H ASN 16 21.399 -14.234 16.397 126 HA ASN 16 HA ASN 16 24.231 -13.581 15.856 127 HB2 ASN 16 1HB ASN 16 22.790 -12.813 13.880 128 HB3 ASN 16 2HB ASN 16 22.037 -11.682 14.994 129 HD21 ASN 16 1HD2 ASN 16 24.581 -9.339 14.553 130 HD22 ASN 16 2HD2 ASN 16 22.884 -9.686 14.848 131 H VAL 17 H VAL 17 25.085 -12.228 17.337 132 HA VAL 17 HA VAL 17 23.242 -11.173 19.423 133 HB VAL 17 HB VAL 17 26.210 -11.898 19.615 134 HG11 VAL 17 1HG1 VAL 17 24.278 -10.861 21.744 135 HG12 VAL 17 2HG1 VAL 17 25.943 -11.407 22.036 136 HG13 VAL 17 3HG1 VAL 17 25.656 -9.965 21.048 137 HG21 VAL 17 1HG2 VAL 17 24.779 -13.912 19.553 138 HG22 VAL 17 2HG2 VAL 17 25.439 -13.676 21.183 139 HG23 VAL 17 3HG2 VAL 17 23.747 -13.243 20.836 140 H ALA 18 H ALA 18 23.079 -9.055 19.409 141 HA ALA 18 HA ALA 18 24.563 -7.485 17.479 142 HB1 ALA 18 1HB ALA 18 22.505 -6.744 19.599 143 HB2 ALA 18 2HB ALA 18 23.162 -5.627 18.376 144 HB3 ALA 18 3HB ALA 18 22.201 -7.031 17.867 145 H GLU 19 H GLU 19 26.523 -6.740 17.866 146 HA GLU 19 HA GLU 19 27.373 -6.327 20.712 147 HB2 GLU 19 1HB GLU 19 28.945 -6.654 18.129 148 HB3 GLU 19 2HB GLU 19 29.669 -6.345 19.719 149 HG2 GLU 19 1HG GLU 19 28.709 -8.437 20.579 150 HG3 GLU 19 2HG GLU 19 27.968 -8.761 19.004 151 H SER 20 H SER 20 26.761 -4.790 17.635 152 HA SER 20 HA SER 20 27.823 -2.187 18.659 153 HB2 SER 20 1HB SER 20 26.776 -3.004 15.911 154 HB3 SER 20 2HB SER 20 27.494 -1.438 16.329 155 HG SER 20 HG SER 20 29.001 -2.899 15.378 156 HA PRO 21 HA PRO 21 23.715 -0.984 19.598 157 HB2 PRO 21 1HB PRO 21 23.746 1.723 19.151 158 HB3 PRO 21 2HB PRO 21 24.640 0.954 20.504 159 HG2 PRO 21 1HG PRO 21 25.681 1.765 17.788 160 HG3 PRO 21 2HG PRO 21 26.355 2.110 19.411 161 HD2 PRO 21 1HD PRO 21 27.297 0.126 17.915 162 HD3 PRO 21 2HD PRO 21 27.156 -0.025 19.698 163 H ASP 22 H ASP 22 25.025 -0.532 16.428 164 HA ASP 22 HA ASP 22 22.512 0.337 15.225 165 HB2 ASP 22 1HB ASP 22 25.324 0.336 14.585 166 HB3 ASP 22 2HB ASP 22 24.486 -0.590 13.341 167 H GLU 23 H GLU 23 23.843 -2.616 16.307 168 HA GLU 23 HA GLU 23 23.022 -4.131 13.932 169 HB2 GLU 23 1HB GLU 23 25.228 -4.365 15.150 170 HB3 GLU 23 2HB GLU 23 24.342 -5.114 16.476 171 HG2 GLU 23 1HG GLU 23 23.615 -6.919 14.972 172 HG3 GLU 23 2HG GLU 23 24.445 -6.131 13.625 173 H LEU 24 H LEU 24 21.665 -5.944 13.960 174 HA LEU 24 HA LEU 24 19.634 -5.928 16.150 175 HB2 LEU 24 1HB LEU 24 19.618 -7.140 13.377 176 HB3 LEU 24 2HB LEU 24 18.387 -7.471 14.581 177 HG LEU 24 HG LEU 24 18.990 -4.765 13.364 178 HD11 LEU 24 1HD1 LEU 24 17.924 -6.253 11.783 179 HD12 LEU 24 2HD1 LEU 24 16.728 -5.073 12.359 180 HD13 LEU 24 3HD1 LEU 24 16.715 -6.733 12.993 181 HD21 LEU 24 1HD2 LEU 24 16.847 -4.109 14.532 182 HD22 LEU 24 2HD2 LEU 24 18.217 -4.418 15.616 183 HD23 LEU 24 3HD2 LEU 24 16.936 -5.644 15.426 184 H SER 25 H SER 25 19.185 -7.621 17.380 185 HA SER 25 HA SER 25 20.947 -10.009 17.162 186 HB2 SER 25 1HB SER 25 19.826 -10.249 19.588 187 HB3 SER 25 2HB SER 25 21.291 -9.278 19.327 188 HG SER 25 HG SER 25 19.773 -8.065 20.474 189 H PHE 26 H PHE 26 19.996 -11.875 16.733 190 HA PHE 26 HA PHE 26 17.101 -12.287 17.093 191 HB2 PHE 26 1HB PHE 26 16.773 -12.887 14.689 192 HB3 PHE 26 2HB PHE 26 17.013 -11.169 14.993 193 HD1 PHE 26 HD1 PHE 26 18.677 -9.958 13.919 194 HD2 PHE 26 HD2 PHE 26 18.829 -14.256 13.884 195 HE1 PHE 26 HE1 PHE 26 20.468 -9.872 12.237 196 HE2 PHE 26 HE2 PHE 26 20.656 -14.181 12.194 197 HZ PHE 26 HZ PHE 26 21.456 -12.000 11.338 198 H ARG 27 H ARG 27 16.451 -14.480 16.214 199 HA ARG 27 HA ARG 27 18.601 -16.402 16.989 200 HB2 ARG 27 1HB ARG 27 16.358 -16.218 18.215 201 HB3 ARG 27 2HB ARG 27 15.588 -16.776 16.733 202 HG2 ARG 27 1HG ARG 27 15.727 -18.671 18.092 203 HG3 ARG 27 2HG ARG 27 17.046 -18.870 16.940 204 HD2 ARG 27 1HD ARG 27 18.616 -17.902 18.653 205 HD3 ARG 27 2HD ARG 27 17.270 -17.869 19.806 206 HE ARG 27 HE ARG 27 18.818 -20.180 18.937 207 HH11 ARG 27 1HH1 ARG 27 15.720 -19.221 20.348 208 HH12 ARG 27 2HH1 ARG 27 15.451 -20.791 21.051 209 HH21 ARG 27 1HH2 ARG 27 18.394 -22.157 19.853 210 HH22 ARG 27 2HH2 ARG 27 16.935 -22.417 20.767 211 H LYS 28 H LYS 28 18.807 -18.358 15.753 212 HA LYS 28 HA LYS 28 18.716 -18.151 12.912 213 HB2 LYS 28 1HB LYS 28 20.117 -19.807 14.052 214 HB3 LYS 28 2HB LYS 28 18.707 -20.528 14.825 215 HG2 LYS 28 1HG LYS 28 17.895 -21.371 12.721 216 HG3 LYS 28 2HG LYS 28 19.172 -20.525 11.836 217 HD2 LYS 28 1HD LYS 28 20.873 -21.856 13.013 218 HD3 LYS 28 2HD LYS 28 19.595 -22.706 13.916 219 HE2 LYS 28 1HE LYS 28 18.756 -23.737 11.931 220 HE3 LYS 28 2HE LYS 28 19.728 -22.671 10.887 221 HZ1 LYS 28 1HZ LYS 28 21.703 -23.694 11.726 222 HZ2 LYS 28 2HZ LYS 28 20.714 -24.884 11.169 223 HZ3 LYS 28 3HZ LYS 28 20.866 -24.637 12.787 224 H GLY 29 H GLY 29 17.107 -18.437 11.491 225 HA2 GLY 29 1HA GLY 29 15.141 -19.485 10.701 226 HA3 GLY 29 2HA GLY 29 14.651 -19.851 12.360 227 H ASP 30 H ASP 30 15.536 -16.763 12.754 228 HA ASP 30 HA ASP 30 12.810 -15.826 12.733 229 HB2 ASP 30 1HB ASP 30 15.497 -14.462 13.134 230 HB3 ASP 30 2HB ASP 30 13.973 -13.576 13.175 231 H ILE 31 H ILE 31 12.008 -13.982 11.569 232 HA ILE 31 HA ILE 31 13.202 -13.701 8.840 233 HB ILE 31 HB ILE 31 10.268 -13.448 9.666 234 HG12 ILE 31 1HG1 ILE 31 10.903 -15.784 9.635 235 HG13 ILE 31 2HG1 ILE 31 9.899 -15.415 8.239 236 HG21 ILE 31 1HG2 ILE 31 10.706 -11.887 7.870 237 HG22 ILE 31 2HG2 ILE 31 11.679 -13.073 6.975 238 HG23 ILE 31 3HG2 ILE 31 9.917 -13.293 7.134 239 HD11 ILE 31 1HD1 ILE 31 12.838 -16.055 8.332 240 HD12 ILE 31 2HD1 ILE 31 11.542 -16.796 7.365 241 HD13 ILE 31 3HD1 ILE 31 12.148 -15.193 6.932 242 H MET 32 H MET 32 13.852 -11.699 8.347 243 HA MET 32 HA MET 32 12.617 -9.413 9.826 244 HB2 MET 32 1HB MET 32 14.817 -8.293 9.809 245 HB3 MET 32 2HB MET 32 14.791 -9.743 10.790 246 HG2 MET 32 1HG MET 32 15.703 -10.812 8.499 247 HG3 MET 32 2HG MET 32 16.315 -9.165 8.326 248 HE1 MET 32 1HE MET 32 15.700 -11.621 11.507 249 HE2 MET 32 2HE MET 32 16.409 -12.567 10.177 250 HE3 MET 32 3HE MET 32 17.358 -12.249 11.647 251 H THR 33 H THR 33 12.660 -7.440 8.715 252 HA THR 33 HA THR 33 12.240 -7.851 5.812 253 HB THR 33 HB THR 33 11.743 -5.432 7.607 254 HG1 THR 33 HG1 THR 33 9.567 -6.121 7.372 255 HG21 THR 33 1HG2 THR 33 12.013 -4.697 5.326 256 HG22 THR 33 2HG2 THR 33 10.281 -4.703 5.707 257 HG23 THR 33 3HG2 THR 33 10.974 -6.018 4.723 258 H VAL 34 H VAL 34 13.990 -7.607 4.516 259 HA VAL 34 HA VAL 34 16.278 -5.988 5.370 260 HB VAL 34 HB VAL 34 15.735 -7.238 2.673 261 HG11 VAL 34 1HG1 VAL 34 18.297 -6.203 3.938 262 HG12 VAL 34 2HG1 VAL 34 18.208 -7.128 2.417 263 HG13 VAL 34 3HG1 VAL 34 17.451 -5.527 2.524 264 HG21 VAL 34 1HG2 VAL 34 15.717 -8.977 4.330 265 HG22 VAL 34 2HG2 VAL 34 17.261 -9.038 3.473 266 HG23 VAL 34 3HG2 VAL 34 17.186 -8.328 5.095 267 H LEU 35 H LEU 35 16.455 -3.910 5.096 268 HA LEU 35 HA LEU 35 14.508 -2.521 3.350 269 HB2 LEU 35 1HB LEU 35 16.497 -1.530 5.413 270 HB3 LEU 35 2HB LEU 35 15.329 -0.524 4.564 271 HG LEU 35 HG LEU 35 14.583 -2.834 6.394 272 HD11 LEU 35 1HD1 LEU 35 14.727 0.145 6.856 273 HD12 LEU 35 2HD1 LEU 35 15.673 -1.140 7.652 274 HD13 LEU 35 3HD1 LEU 35 13.927 -1.018 7.941 275 HD21 LEU 35 1HD2 LEU 35 12.336 -1.776 6.344 276 HD22 LEU 35 2HD2 LEU 35 12.837 -2.361 4.753 277 HD23 LEU 35 3HD2 LEU 35 12.919 -0.623 5.124 278 H GLU 36 H GLU 36 18.058 -2.716 3.984 279 HA GLU 36 HA GLU 36 18.438 -2.458 1.088 280 HB2 GLU 36 1HB GLU 36 19.746 -0.551 1.013 281 HB3 GLU 36 2HB GLU 36 18.392 -0.088 2.022 282 HG2 GLU 36 1HG GLU 36 19.831 -0.488 3.975 283 HG3 GLU 36 2HG GLU 36 21.178 -0.670 2.850 284 H ARG 37 H ARG 37 20.969 -2.544 0.674 285 HA ARG 37 HA ARG 37 22.183 -4.372 2.708 286 HB2 ARG 37 1HB ARG 37 22.402 -4.594 -0.309 287 HB3 ARG 37 2HB ARG 37 23.159 -5.662 0.878 288 HG2 ARG 37 1HG ARG 37 20.804 -6.322 1.606 289 HG3 ARG 37 2HG ARG 37 20.215 -5.425 0.197 290 HD2 ARG 37 1HD ARG 37 21.978 -7.871 0.257 291 HD3 ARG 37 2HD ARG 37 20.397 -7.689 -0.514 292 HE ARG 37 HE ARG 37 22.266 -5.812 -1.618 293 HH11 ARG 37 1HH1 ARG 37 21.603 -9.277 -1.704 294 HH12 ARG 37 2HH1 ARG 37 22.363 -9.473 -3.260 295 HH21 ARG 37 1HH2 ARG 37 23.214 -6.133 -3.580 296 HH22 ARG 37 2HH2 ARG 37 23.247 -7.710 -4.315 297 H ASP 38 H ASP 38 24.449 -4.123 2.821 298 HA ASP 38 HA ASP 38 26.395 -3.004 2.791 299 HB2 ASP 38 1HB ASP 38 25.640 -2.144 -0.013 300 HB3 ASP 38 2HB ASP 38 27.271 -2.366 0.646 301 H THR 39 H THR 39 24.187 -1.905 3.924 302 HA THR 39 HA THR 39 23.621 0.821 3.294 303 HB THR 39 HB THR 39 22.109 -0.562 4.641 304 HG1 THR 39 HG1 THR 39 21.743 1.500 5.161 305 HG21 THR 39 1HG2 THR 39 22.587 -1.112 6.927 306 HG22 THR 39 2HG2 THR 39 24.251 -0.534 6.744 307 HG23 THR 39 3HG2 THR 39 23.677 -1.941 5.811 308 H GLN 40 H GLN 40 24.313 2.722 4.223 309 HA GLN 40 HA GLN 40 25.843 4.216 4.965 310 HB2 GLN 40 1HB GLN 40 26.721 2.206 7.034 311 HB3 GLN 40 2HB GLN 40 26.802 3.958 7.113 312 HG2 GLN 40 1HG GLN 40 24.206 3.814 6.933 313 HG3 GLN 40 2HG GLN 40 24.435 2.134 7.426 314 HE21 GLN 40 1HE2 GLN 40 24.718 2.953 10.810 315 HE22 GLN 40 2HE2 GLN 40 24.324 1.795 9.563 316 H GLY 41 H GLY 41 26.756 1.758 3.167 317 HA2 GLY 41 1HA GLY 41 28.714 1.518 1.923 318 HA3 GLY 41 2HA GLY 41 29.546 2.656 3.003 319 H LEU 42 H LEU 42 27.757 0.240 4.685 320 HA LEU 42 HA LEU 42 30.271 -1.050 5.506 321 HB2 LEU 42 1HB LEU 42 27.401 -1.437 6.392 322 HB3 LEU 42 2HB LEU 42 28.822 -2.102 7.180 323 HG LEU 42 HG LEU 42 28.303 0.864 6.926 324 HD11 LEU 42 1HD1 LEU 42 26.469 -0.183 8.121 325 HD12 LEU 42 2HD1 LEU 42 27.496 0.740 9.241 326 HD13 LEU 42 3HD1 LEU 42 27.622 -1.034 9.182 327 HD21 LEU 42 1HD2 LEU 42 29.855 0.973 8.844 328 HD22 LEU 42 2HD2 LEU 42 30.612 0.293 7.387 329 HD23 LEU 42 3HD2 LEU 42 30.104 -0.785 8.710 330 H ASP 43 H ASP 43 30.762 -2.133 3.556 331 HA ASP 43 HA ASP 43 28.977 -3.699 2.044 332 HB2 ASP 43 1HB ASP 43 31.953 -3.921 2.559 333 HB3 ASP 43 2HB ASP 43 31.102 -5.073 1.515 334 H GLY 44 H GLY 44 27.988 -5.574 2.279 335 HA2 GLY 44 1HA GLY 44 27.752 -7.786 3.028 336 HA3 GLY 44 2HA GLY 44 29.088 -7.569 4.168 337 H TRP 45 H TRP 45 27.483 -4.919 5.006 338 HA TRP 45 HA TRP 45 25.845 -6.343 7.023 339 HB2 TRP 45 1HB TRP 45 26.887 -3.542 6.614 340 HB3 TRP 45 2HB TRP 45 25.674 -3.863 7.808 341 HD1 TRP 45 HD1 TRP 45 29.377 -3.981 7.291 342 HE1 TRP 45 HE1 TRP 45 30.605 -4.925 9.305 343 HE3 TRP 45 HE3 TRP 45 25.313 -5.861 9.713 344 HZ2 TRP 45 HZ2 TRP 45 29.885 -6.398 11.671 345 HZ3 TRP 45 HZ3 TRP 45 25.632 -7.027 11.889 346 HH2 TRP 45 HH2 TRP 45 27.893 -7.301 12.842 347 H TRP 46 H TRP 46 23.649 -6.424 6.862 348 HA TRP 46 HA TRP 46 22.412 -4.795 4.666 349 HB2 TRP 46 1HB TRP 46 21.547 -7.453 5.873 350 HB3 TRP 46 2HB TRP 46 20.649 -6.551 4.642 351 HD1 TRP 46 HD1 TRP 46 24.095 -6.131 3.576 352 HE1 TRP 46 HE1 TRP 46 24.885 -7.808 1.861 353 HE3 TRP 46 HE3 TRP 46 20.294 -9.536 4.146 354 HZ2 TRP 46 HZ2 TRP 46 24.020 -10.348 0.878 355 HZ3 TRP 46 HZ3 TRP 46 20.384 -11.635 2.797 356 HH2 TRP 46 HH2 TRP 46 22.218 -12.015 1.160 357 H LEU 47 H LEU 47 20.926 -3.313 5.206 358 HA LEU 47 HA LEU 47 20.271 -2.912 8.038 359 HB2 LEU 47 1HB LEU 47 20.569 -1.011 6.462 360 HB3 LEU 47 2HB LEU 47 19.228 -1.602 5.500 361 HG LEU 47 HG LEU 47 17.688 -1.135 7.327 362 HD11 LEU 47 1HD1 LEU 47 20.148 -0.181 8.807 363 HD12 LEU 47 2HD1 LEU 47 19.025 -1.478 9.278 364 HD13 LEU 47 3HD1 LEU 47 18.480 0.205 9.285 365 HD21 LEU 47 1HD2 LEU 47 17.805 1.310 7.230 366 HD22 LEU 47 2HD2 LEU 47 18.206 0.604 5.651 367 HD23 LEU 47 3HD2 LEU 47 19.501 1.221 6.703 368 H CYS 48 H CYS 48 18.660 -3.964 9.031 369 HA CYS 48 HA CYS 48 16.309 -4.712 7.366 370 HB2 CYS 48 1HB CYS 48 17.484 -6.531 9.497 371 HB3 CYS 48 2HB CYS 48 16.204 -6.902 8.342 372 HG CYS 48 HG CYS 48 19.398 -6.277 7.733 373 H SER 49 H SER 49 14.471 -5.403 8.776 374 HA SER 49 HA SER 49 14.481 -3.912 11.356 375 HB2 SER 49 1HB SER 49 12.818 -2.589 10.689 376 HB3 SER 49 2HB SER 49 13.119 -3.139 9.050 377 HG SER 49 HG SER 49 10.949 -3.440 9.604 378 H LEU 50 H LEU 50 13.824 -5.057 13.021 379 HA LEU 50 HA LEU 50 12.184 -7.515 12.604 380 HB2 LEU 50 1HB LEU 50 14.589 -8.197 12.541 381 HB3 LEU 50 2HB LEU 50 14.838 -7.392 14.090 382 HG LEU 50 HG LEU 50 12.731 -9.138 14.598 383 HD11 LEU 50 1HD1 LEU 50 13.376 -11.275 13.810 384 HD12 LEU 50 2HD1 LEU 50 14.810 -10.593 13.013 385 HD13 LEU 50 3HD1 LEU 50 13.184 -10.186 12.415 386 HD21 LEU 50 1HD2 LEU 50 15.710 -9.422 15.057 387 HD22 LEU 50 2HD2 LEU 50 14.462 -10.389 15.875 388 HD23 LEU 50 3HD2 LEU 50 14.533 -8.631 16.130 389 H HIS 51 H HIS 51 10.698 -7.645 14.223 390 HA HIS 51 HA HIS 51 9.441 -7.047 16.044 391 HB2 HIS 51 1HB HIS 51 12.133 -6.563 17.381 392 HB3 HIS 51 2HB HIS 51 10.585 -6.789 18.199 393 HD1 HIS 51 HD1 HIS 51 13.026 -8.685 18.727 394 HD2 HIS 51 HD2 HIS 51 9.957 -9.449 16.013 395 HE1 HIS 51 HE1 HIS 51 12.943 -11.193 18.386 396 H GLY 52 H GLY 52 10.235 -4.882 14.124 397 HA2 GLY 52 1HA GLY 52 9.601 -2.647 13.998 398 HA3 GLY 52 2HA GLY 52 9.254 -2.661 15.727 399 H ARG 53 H ARG 53 12.391 -3.863 15.183 400 HA ARG 53 HA ARG 53 13.553 -1.183 15.833 401 HB2 ARG 53 1HB ARG 53 13.644 -3.438 17.345 402 HB3 ARG 53 2HB ARG 53 15.013 -3.768 16.294 403 HG2 ARG 53 1HG ARG 53 14.738 -1.191 17.894 404 HG3 ARG 53 2HG ARG 53 15.494 -2.656 18.532 405 HD2 ARG 53 1HD ARG 53 17.019 -2.589 16.465 406 HD3 ARG 53 2HD ARG 53 16.449 -0.925 16.251 407 HE ARG 53 HE ARG 53 17.275 -1.244 18.937 408 HH11 ARG 53 1HH1 ARG 53 18.798 -1.140 15.726 409 HH12 ARG 53 2HH1 ARG 53 20.330 -0.625 16.407 410 HH21 ARG 53 1HH2 ARG 53 19.252 -0.559 19.665 411 HH22 ARG 53 2HH2 ARG 53 20.571 -0.298 18.543 412 H GLN 54 H GLN 54 15.135 -0.485 14.458 413 HA GLN 54 HA GLN 54 15.642 -2.166 12.050 414 HB2 GLN 54 1HB GLN 54 15.132 0.646 12.531 415 HB3 GLN 54 2HB GLN 54 16.676 0.426 11.691 416 HG2 GLN 54 1HG GLN 54 15.559 -0.876 9.970 417 HG3 GLN 54 2HG GLN 54 14.024 -0.735 10.839 418 HE21 GLN 54 1HE2 GLN 54 15.529 2.682 9.097 419 HE22 GLN 54 2HE2 GLN 54 16.626 1.529 9.811 420 H GLY 55 H GLY 55 17.773 -2.542 11.338 421 HA2 GLY 55 1HA GLY 55 20.036 -1.235 12.420 422 HA3 GLY 55 2HA GLY 55 19.759 -2.689 13.382 423 H ILE 56 H ILE 56 22.121 -2.535 12.148 424 HA ILE 56 HA ILE 56 21.933 -3.786 9.487 425 HB ILE 56 HB ILE 56 24.395 -3.723 9.469 426 HG12 ILE 56 1HG1 ILE 56 24.132 -2.733 12.353 427 HG13 ILE 56 2HG1 ILE 56 24.742 -4.309 11.868 428 HG21 ILE 56 1HG2 ILE 56 22.944 -1.639 9.050 429 HG22 ILE 56 2HG2 ILE 56 23.402 -1.088 10.678 430 HG23 ILE 56 3HG2 ILE 56 24.651 -1.341 9.431 431 HD11 ILE 56 1HD1 ILE 56 26.570 -3.070 10.601 432 HD12 ILE 56 2HD1 ILE 56 26.024 -1.599 11.445 433 HD13 ILE 56 3HD1 ILE 56 26.635 -2.984 12.375 434 H VAL 57 H VAL 57 22.826 -5.790 8.960 435 HA VAL 57 HA VAL 57 23.076 -7.780 11.171 436 HB VAL 57 HB VAL 57 21.343 -8.046 8.702 437 HG11 VAL 57 1HG1 VAL 57 21.976 -9.997 10.831 438 HG12 VAL 57 2HG1 VAL 57 20.588 -10.166 9.746 439 HG13 VAL 57 3HG1 VAL 57 22.235 -10.153 9.084 440 HG21 VAL 57 1HG2 VAL 57 20.191 -6.639 10.265 441 HG22 VAL 57 2HG2 VAL 57 19.443 -8.248 10.338 442 HG23 VAL 57 3HG2 VAL 57 20.596 -7.738 11.599 443 HA PRO 58 HA PRO 58 26.335 -8.899 8.312 444 HB2 PRO 58 1HB PRO 58 26.962 -11.423 9.202 445 HB3 PRO 58 2HB PRO 58 27.411 -9.943 10.096 446 HG2 PRO 58 1HG PRO 58 25.087 -11.760 10.543 447 HG3 PRO 58 2HG PRO 58 26.264 -11.112 11.722 448 HD2 PRO 58 1HD PRO 58 23.821 -10.012 11.344 449 HD3 PRO 58 2HD PRO 58 25.241 -9.016 11.738 450 H GLY 59 H GLY 59 25.748 -9.256 6.246 451 HA2 GLY 59 1HA GLY 59 23.391 -10.613 5.515 452 HA3 GLY 59 2HA GLY 59 24.699 -10.145 4.427 453 H ASN 60 H ASN 60 26.616 -11.928 5.968 454 HA ASN 60 HA ASN 60 26.076 -14.289 4.366 455 HB2 ASN 60 1HB ASN 60 28.211 -15.108 5.138 456 HB3 ASN 60 2HB ASN 60 28.370 -13.405 4.685 457 HD21 ASN 60 1HD2 ASN 60 30.199 -13.901 7.846 458 HD22 ASN 60 2HD2 ASN 60 30.266 -14.562 6.222 459 H ARG 61 H ARG 61 24.864 -13.354 7.358 460 HA ARG 61 HA ARG 61 24.435 -16.231 8.106 461 HB2 ARG 61 1HB ARG 61 24.054 -13.703 9.753 462 HB3 ARG 61 2HB ARG 61 23.679 -15.341 10.289 463 HG2 ARG 61 1HG ARG 61 26.099 -15.933 9.969 464 HG3 ARG 61 2HG ARG 61 26.420 -14.211 9.670 465 HD2 ARG 61 1HD ARG 61 25.473 -13.659 11.877 466 HD3 ARG 61 2HD ARG 61 25.119 -15.373 12.145 467 HE ARG 61 HE ARG 61 27.911 -15.003 11.557 468 HH11 ARG 61 1HH1 ARG 61 25.583 -14.615 14.206 469 HH12 ARG 61 2HH1 ARG 61 26.827 -14.744 15.418 470 HH21 ARG 61 1HH2 ARG 61 29.401 -15.188 13.146 471 HH22 ARG 61 2HH2 ARG 61 28.952 -15.060 14.833 472 H LEU 62 H LEU 62 23.142 -13.977 6.176 473 HA LEU 62 HA LEU 62 20.335 -14.661 6.950 474 HB2 LEU 62 1HB LEU 62 21.618 -12.150 5.992 475 HB3 LEU 62 2HB LEU 62 20.066 -12.550 5.273 476 HG LEU 62 HG LEU 62 20.594 -12.176 8.218 477 HD11 LEU 62 1HD1 LEU 62 19.255 -10.141 7.904 478 HD12 LEU 62 2HD1 LEU 62 19.098 -10.506 6.167 479 HD13 LEU 62 3HD1 LEU 62 20.693 -10.126 6.866 480 HD21 LEU 62 1HD2 LEU 62 18.798 -13.733 8.050 481 HD22 LEU 62 2HD2 LEU 62 18.039 -12.818 6.736 482 HD23 LEU 62 3HD2 LEU 62 18.090 -12.160 8.384 483 H LYS 63 H LYS 63 18.849 -15.006 5.346 484 HA LYS 63 HA LYS 63 19.983 -15.385 2.602 485 HB2 LYS 63 1HB LYS 63 19.716 -17.593 3.651 486 HB3 LYS 63 2HB LYS 63 18.035 -17.247 4.026 487 HG2 LYS 63 1HG LYS 63 17.412 -17.261 1.719 488 HG3 LYS 63 2HG LYS 63 19.094 -17.218 1.178 489 HD2 LYS 63 1HD LYS 63 17.862 -19.544 2.706 490 HD3 LYS 63 2HD LYS 63 17.979 -19.452 0.934 491 HE2 LYS 63 1HE LYS 63 20.445 -19.109 1.177 492 HE3 LYS 63 2HE LYS 63 20.271 -19.404 2.912 493 HZ1 LYS 63 1HZ LYS 63 19.461 -21.625 2.385 494 HZ2 LYS 63 2HZ LYS 63 20.972 -21.390 1.769 495 HZ3 LYS 63 3HZ LYS 63 19.661 -21.350 0.768 496 H ILE 64 H ILE 64 19.018 -14.106 1.256 497 HA ILE 64 HA ILE 64 16.546 -12.768 1.842 498 HB ILE 64 HB ILE 64 17.898 -13.247 -0.857 499 HG12 ILE 64 1HG1 ILE 64 19.428 -12.144 0.734 500 HG13 ILE 64 2HG1 ILE 64 18.970 -11.110 -0.607 501 HG21 ILE 64 1HG2 ILE 64 15.775 -11.311 0.074 502 HG22 ILE 64 2HG2 ILE 64 16.700 -11.077 -1.430 503 HG23 ILE 64 3HG2 ILE 64 15.661 -12.506 -1.228 504 HD11 ILE 64 1HD1 ILE 64 17.920 -10.914 2.240 505 HD12 ILE 64 2HD1 ILE 64 19.021 -9.789 1.424 506 HD13 ILE 64 3HD1 ILE 64 17.345 -9.911 0.885 507 H LEU 65 H LEU 65 14.511 -13.521 1.599 508 HA LEU 65 HA LEU 65 14.212 -16.175 0.283 509 HB2 LEU 65 1HB LEU 65 12.216 -14.555 1.897 510 HB3 LEU 65 2HB LEU 65 12.012 -16.213 1.332 511 HG LEU 65 HG LEU 65 14.029 -15.232 3.386 512 HD11 LEU 65 1HD1 LEU 65 11.556 -16.969 3.665 513 HD12 LEU 65 2HD1 LEU 65 11.702 -15.263 4.155 514 HD13 LEU 65 3HD1 LEU 65 12.671 -16.498 4.969 515 HD21 LEU 65 1HD2 LEU 65 13.581 -18.055 2.298 516 HD22 LEU 65 2HD2 LEU 65 14.485 -17.694 3.788 517 HD23 LEU 65 3HD2 LEU 65 15.088 -17.102 2.233 518 H VAL 66 H VAL 66 14.384 -15.673 -1.824 519 HA VAL 66 HA VAL 66 13.184 -13.319 -2.981 520 HB VAL 66 HB VAL 66 14.305 -15.812 -4.364 521 HG11 VAL 66 1HG1 VAL 66 14.685 -14.227 -6.272 522 HG12 VAL 66 2HG1 VAL 66 12.975 -14.485 -5.898 523 HG13 VAL 66 3HG1 VAL 66 13.776 -12.987 -5.375 524 HG21 VAL 66 1HG2 VAL 66 16.012 -14.812 -2.895 525 HG22 VAL 66 2HG2 VAL 66 16.399 -14.484 -4.593 526 HG23 VAL 66 3HG2 VAL 66 15.686 -13.204 -3.589 527 H GLY 67 H GLY 67 11.009 -13.187 -2.887 528 HA2 GLY 67 1HA GLY 67 9.324 -15.523 -3.172 529 HA3 GLY 67 2HA GLY 67 8.796 -13.852 -2.965 530 H MET 68 H MET 68 10.945 -14.786 -5.591 531 HA MET 68 HA MET 68 8.883 -14.005 -7.568 532 HB2 MET 68 1HB MET 68 11.773 -14.917 -7.848 533 HB3 MET 68 2HB MET 68 10.740 -14.433 -9.196 534 HG2 MET 68 1HG MET 68 10.595 -12.165 -8.338 535 HG3 MET 68 2HG MET 68 11.490 -12.624 -6.881 536 HE1 MET 68 1HE MET 68 11.683 -11.775 -10.708 537 HE2 MET 68 2HE MET 68 13.343 -12.247 -11.140 538 HE3 MET 68 3HE MET 68 12.127 -13.498 -10.792 539 H TYR 69 H TYR 69 9.729 -16.748 -5.839 540 HA TYR 69 HA TYR 69 8.712 -18.543 -7.980 541 HB2 TYR 69 1HB TYR 69 10.908 -19.336 -6.058 542 HB3 TYR 69 2HB TYR 69 10.422 -20.134 -7.559 543 HD1 TYR 69 HD1 TYR 69 10.795 -18.698 -9.781 544 HD2 TYR 69 HD2 TYR 69 12.740 -17.869 -6.031 545 HE1 TYR 69 HE1 TYR 69 12.555 -17.394 -10.978 546 HE2 TYR 69 HE2 TYR 69 14.507 -16.581 -7.242 547 HH TYR 69 HH TYR 69 14.457 -16.155 -10.779 548 H ASP 70 H ASP 70 7.097 -19.833 -7.311 549 HA ASP 70 HA ASP 70 6.116 -19.716 -4.605 550 HB2 ASP 70 1HB ASP 70 5.499 -21.400 -7.047 551 HB3 ASP 70 2HB ASP 70 4.782 -21.785 -5.473 552 H LYS 71 H LYS 71 6.413 -21.072 -2.897 553 HA LYS 71 HA LYS 71 7.644 -23.700 -3.430 554 HB2 LYS 71 1HB LYS 71 9.494 -22.066 -2.910 555 HB3 LYS 71 2HB LYS 71 8.778 -21.845 -1.305 556 HG2 LYS 71 1HG LYS 71 9.110 -24.202 -0.801 557 HG3 LYS 71 2HG LYS 71 9.677 -24.501 -2.453 558 HD2 LYS 71 1HD LYS 71 11.583 -22.957 -2.052 559 HD3 LYS 71 2HD LYS 71 11.023 -22.743 -0.379 560 HE2 LYS 71 1HE LYS 71 12.799 -24.408 -0.417 561 HE3 LYS 71 2HE LYS 71 11.262 -25.195 -0.006 562 HZ1 LYS 71 1HZ LYS 71 12.518 -25.196 -2.704 563 HZ2 LYS 71 2HZ LYS 71 11.093 -25.926 -2.315 564 HZ3 LYS 71 3HZ LYS 71 12.499 -26.470 -1.654 565 H LYS 72 H LYS 72 6.622 -25.225 -2.350 566 HA LYS 72 HA LYS 72 4.631 -24.440 -0.335 567 HB2 LYS 72 1HB LYS 72 5.348 -27.164 -1.494 568 HB3 LYS 72 2HB LYS 72 3.955 -26.819 -0.453 569 HG2 LYS 72 1HG LYS 72 3.121 -25.214 -2.203 570 HG3 LYS 72 2HG LYS 72 4.452 -25.724 -3.254 571 HD2 LYS 72 1HD LYS 72 3.594 -28.086 -3.085 572 HD3 LYS 72 2HD LYS 72 2.182 -27.457 -2.208 573 HE2 LYS 72 1HE LYS 72 3.030 -26.688 -5.039 574 HE3 LYS 72 2HE LYS 72 1.696 -27.776 -4.623 575 HZ1 LYS 72 1HZ LYS 72 0.898 -25.549 -5.119 576 HZ2 LYS 72 2HZ LYS 72 1.838 -24.890 -3.938 577 HZ3 LYS 72 3HZ LYS 72 0.596 -25.896 -3.534 578 HA PRO 73 HA PRO 73 7.406 -25.328 2.953 579 HB2 PRO 73 1HB PRO 73 5.764 -25.850 5.053 580 HB3 PRO 73 2HB PRO 73 5.818 -24.228 4.286 581 HG2 PRO 73 1HG PRO 73 3.894 -26.485 3.791 582 HG3 PRO 73 2HG PRO 73 3.541 -24.772 4.190 583 HD2 PRO 73 1HD PRO 73 3.529 -25.670 1.634 584 HD3 PRO 73 2HD PRO 73 4.142 -24.030 2.045 585 H ALA 74 H ALA 74 8.265 -27.005 4.367 586 HA ALA 74 HA ALA 74 7.896 -29.670 3.271 587 HB1 ALA 74 1HB ALA 74 9.577 -28.681 5.632 588 HB2 ALA 74 2HB ALA 74 9.678 -30.291 4.886 589 HB3 ALA 74 3HB ALA 74 10.128 -28.851 3.947 590 H GLY 75 H GLY 75 6.928 -27.999 6.267 591 HA2 GLY 75 1HA GLY 75 5.315 -28.599 7.802 592 HA3 GLY 75 2HA GLY 75 4.917 -29.996 6.797 593 H SER 76 H SER 76 8.224 -29.964 7.508 594 HA SER 76 HA SER 76 7.984 -32.366 9.088 595 HB2 SER 76 1HB SER 76 10.481 -32.266 8.989 596 HB3 SER 76 2HB SER 76 9.699 -32.122 7.400 597 HG SER 76 HG SER 76 10.810 -30.064 9.005 598 H GLY 77 H GLY 77 6.739 -30.556 10.701 599 HA2 GLY 77 1HA GLY 77 6.760 -30.014 12.959 600 HA3 GLY 77 2HA GLY 77 8.382 -30.719 13.082 601 H GLY 78 H GLY 78 8.547 -28.792 14.607 602 HA2 GLY 78 1HA GLY 78 10.015 -26.719 13.193 603 HA3 GLY 78 2HA GLY 78 8.486 -26.142 13.862 604 H SER 79 H SER 79 10.508 -28.611 15.451 605 HA SER 79 HA SER 79 10.429 -27.137 17.907 606 HB2 SER 79 1HB SER 79 12.269 -29.431 17.139 607 HB3 SER 79 2HB SER 79 11.798 -28.938 18.781 608 HG SER 79 HG SER 79 9.792 -29.702 18.445 609 H GLY 80 H GLY 80 12.825 -27.282 15.309 610 HA2 GLY 80 1HA GLY 80 14.737 -26.047 14.974 611 HA3 GLY 80 2HA GLY 80 14.126 -24.926 16.195 612 H SER 81 H SER 81 14.744 -28.284 17.025 613 HA SER 81 HA SER 81 16.509 -27.460 19.134 614 HB2 SER 81 1HB SER 81 15.990 -30.260 18.050 615 HB3 SER 81 2HB SER 81 16.617 -29.832 19.656 616 HG SER 81 HG SER 81 14.459 -30.161 19.919 617 H GLY 82 H GLY 82 18.576 -26.876 18.851 618 HA2 GLY 82 1HA GLY 82 20.193 -28.006 16.668 619 HA3 GLY 82 2HA GLY 82 20.704 -26.804 17.879 620 H LEU 83 H LEU 83 20.492 -30.177 17.079 621 HA LEU 83 HA LEU 83 21.160 -31.032 19.824 622 HB2 LEU 83 1HB LEU 83 20.779 -32.612 17.262 623 HB3 LEU 83 2HB LEU 83 20.998 -33.306 18.866 624 HG LEU 83 HG LEU 83 18.636 -31.573 18.037 625 HD11 LEU 83 1HD1 LEU 83 17.362 -33.681 18.047 626 HD12 LEU 83 2HD1 LEU 83 18.852 -34.587 18.399 627 HD13 LEU 83 3HD1 LEU 83 18.676 -33.728 16.854 628 HD21 LEU 83 1HD2 LEU 83 19.172 -33.200 20.563 629 HD22 LEU 83 2HD2 LEU 83 17.619 -32.434 20.146 630 HD23 LEU 83 3HD2 LEU 83 19.049 -31.429 20.446 631 H THR 84 H THR 84 22.858 -29.860 17.224 632 HA THR 84 HA THR 84 25.384 -31.008 18.223 633 HB THR 84 HB THR 84 25.434 -30.822 15.305 634 HG1 THR 84 HG1 THR 84 24.117 -32.748 15.022 635 HG21 THR 84 1HG2 THR 84 26.329 -33.116 15.504 636 HG22 THR 84 2HG2 THR 84 25.828 -33.162 17.210 637 HG23 THR 84 3HG2 THR 84 27.097 -32.032 16.681 638 H ASP 85 H ASP 85 27.230 -29.716 17.310 639 HA ASP 85 HA ASP 85 26.755 -26.940 17.589 640 HB2 ASP 85 1HB ASP 85 29.089 -28.411 16.320 641 HB3 ASP 85 2HB ASP 85 29.104 -26.713 16.827 642 H GLU 86 H GLU 86 26.114 -25.405 16.211 643 HA GLU 86 HA GLU 86 26.483 -25.853 13.276 644 HB2 GLU 86 1HB GLU 86 24.106 -24.583 14.688 645 HB3 GLU 86 2HB GLU 86 24.386 -24.549 12.937 646 HG2 GLU 86 1HG GLU 86 24.342 -27.038 12.914 647 HG3 GLU 86 2HG GLU 86 23.942 -27.020 14.637 648 H LEU 87 H LEU 87 28.523 -24.836 14.015 649 HA LEU 87 HA LEU 87 28.622 -22.227 15.127 650 HB2 LEU 87 1HB LEU 87 30.633 -23.620 13.327 651 HB3 LEU 87 2HB LEU 87 30.962 -22.193 14.305 652 HG LEU 87 HG LEU 87 30.215 -24.917 15.421 653 HD11 LEU 87 1HD1 LEU 87 32.582 -25.081 16.053 654 HD12 LEU 87 2HD1 LEU 87 32.913 -23.525 15.256 655 HD13 LEU 87 3HD1 LEU 87 32.404 -24.932 14.293 656 HD21 LEU 87 1HD2 LEU 87 31.220 -22.393 16.801 657 HD22 LEU 87 2HD2 LEU 87 30.991 -23.980 17.578 658 HD23 LEU 87 3HD2 LEU 87 29.593 -23.095 16.949 659 H ALA 88 H ALA 88 28.467 -20.260 14.352 660 HA ALA 88 HA ALA 88 27.496 -19.965 11.628 661 HB1 ALA 88 1HB ALA 88 26.463 -18.850 13.631 662 HB2 ALA 88 2HB ALA 88 27.937 -17.863 13.789 663 HB3 ALA 88 3HB ALA 88 26.911 -17.710 12.343 664 HA PRO 89 HA PRO 89 31.304 -18.390 10.008 665 HB2 PRO 89 1HB PRO 89 30.490 -16.672 8.045 666 HB3 PRO 89 2HB PRO 89 30.328 -18.449 7.897 667 HG2 PRO 89 1HG PRO 89 28.279 -16.422 8.772 668 HG3 PRO 89 2HG PRO 89 28.128 -17.705 7.530 669 HD2 PRO 89 1HD PRO 89 27.211 -18.051 10.050 670 HD3 PRO 89 2HD PRO 89 27.967 -19.398 9.134 671 HA PRO 90 HA PRO 90 31.931 -14.680 12.210 672 HB2 PRO 90 1HB PRO 90 34.018 -13.425 10.969 673 HB3 PRO 90 2HB PRO 90 34.219 -14.976 11.854 674 HG2 PRO 90 1HG PRO 90 33.851 -14.519 8.902 675 HG3 PRO 90 2HG PRO 90 35.077 -15.516 9.749 676 HD2 PRO 90 1HD PRO 90 32.821 -16.588 8.687 677 HD3 PRO 90 2HD PRO 90 33.532 -17.228 10.205 678 H LYS 91 H LYS 91 31.388 -12.450 12.283 679 HA LYS 91 HA LYS 91 29.757 -11.514 10.044 680 HB2 LYS 91 1HB LYS 91 29.369 -9.530 11.496 681 HB3 LYS 91 2HB LYS 91 28.991 -11.053 12.301 682 HG2 LYS 91 1HG LYS 91 31.081 -10.939 13.587 683 HG3 LYS 91 2HG LYS 91 31.565 -9.474 12.714 684 HD2 LYS 91 1HD LYS 91 30.710 -8.834 14.890 685 HD3 LYS 91 2HD LYS 91 29.580 -8.281 13.652 686 HE2 LYS 91 1HE LYS 91 28.065 -10.165 14.133 687 HE3 LYS 91 2HE LYS 91 29.231 -10.816 15.307 688 HZ1 LYS 91 1HZ LYS 91 27.487 -9.586 16.417 689 HZ2 LYS 91 2HZ LYS 91 27.811 -8.226 15.552 690 HZ3 LYS 91 3HZ LYS 91 28.931 -8.813 16.625 691 HA PRO 92 HA PRO 92 33.082 -9.255 8.189 692 HB2 PRO 92 1HB PRO 92 31.791 -7.107 7.048 693 HB3 PRO 92 2HB PRO 92 31.676 -8.769 6.396 694 HG2 PRO 92 1HG PRO 92 29.785 -7.292 8.143 695 HG3 PRO 92 2HG PRO 92 29.453 -8.274 6.694 696 HD2 PRO 92 1HD PRO 92 29.125 -9.170 9.238 697 HD3 PRO 92 2HD PRO 92 29.602 -10.258 7.885 698 HA PRO 93 HA PRO 93 34.179 -6.295 11.229 699 HB2 PRO 93 1HB PRO 93 35.934 -4.610 10.019 700 HB3 PRO 93 2HB PRO 93 36.308 -6.351 10.239 701 HG2 PRO 93 1HG PRO 93 35.173 -4.960 7.830 702 HG3 PRO 93 2HG PRO 93 36.600 -6.041 7.938 703 HD2 PRO 93 1HD PRO 93 34.182 -6.966 7.180 704 HD3 PRO 93 2HD PRO 93 35.273 -7.955 8.214 705 H LEU 94 H LEU 94 34.407 -3.883 11.744 706 HA LEU 94 HA LEU 94 32.457 -2.229 10.236 707 HB2 LEU 94 1HB LEU 94 32.490 -2.885 13.191 708 HB3 LEU 94 2HB LEU 94 31.851 -1.348 12.632 709 HG LEU 94 HG LEU 94 30.787 -4.072 11.814 710 HD11 LEU 94 1HD1 LEU 94 28.881 -3.473 13.176 711 HD12 LEU 94 2HD1 LEU 94 29.635 -1.907 13.583 712 HD13 LEU 94 3HD1 LEU 94 30.365 -3.439 14.156 713 HD21 LEU 94 1HD2 LEU 94 28.889 -2.762 10.890 714 HD22 LEU 94 2HD2 LEU 94 30.400 -2.447 10.043 715 HD23 LEU 94 3HD2 LEU 94 29.778 -1.258 11.214 716 HA PRO 95 HA PRO 95 35.638 0.801 10.637 717 HB2 PRO 95 1HB PRO 95 34.264 3.132 10.441 718 HB3 PRO 95 2HB PRO 95 34.281 1.950 9.094 719 HG2 PRO 95 1HG PRO 95 32.223 2.303 11.259 720 HG3 PRO 95 2HG PRO 95 31.987 2.284 9.481 721 HD2 PRO 95 1HD PRO 95 31.614 0.059 10.972 722 HD3 PRO 95 2HD PRO 95 32.342 -0.030 9.342 723 H GLU 96 H GLU 96 36.208 2.918 11.779 724 HA GLU 96 HA GLU 96 36.003 2.501 14.651 725 HB2 GLU 96 1HB GLU 96 37.392 4.623 12.977 726 HB3 GLU 96 2HB GLU 96 37.614 4.400 14.721 727 HG2 GLU 96 1HG GLU 96 38.570 2.190 14.368 728 HG3 GLU 96 2HG GLU 96 38.247 2.282 12.628 729 H GLY 97 H GLY 97 33.459 3.172 13.514 730 HA2 GLY 97 1HA GLY 97 31.928 4.434 14.998 731 HA3 GLY 97 2HA GLY 97 32.990 5.829 14.812 732 H GLU 98 H GLU 98 30.337 6.111 14.398 733 HA GLU 98 HA GLU 98 29.572 5.711 11.644 734 HB2 GLU 98 1HB GLU 98 28.428 7.655 13.680 735 HB3 GLU 98 2HB GLU 98 27.641 7.084 12.206 736 HG2 GLU 98 1HG GLU 98 26.619 5.648 13.620 737 HG3 GLU 98 2HG GLU 98 28.107 4.703 13.450 738 H VAL 99 H VAL 99 30.066 6.896 9.904 739 HA VAL 99 HA VAL 99 31.376 9.538 10.302 740 HB VAL 99 HB VAL 99 31.194 7.840 7.766 741 HG11 VAL 99 1HG1 VAL 99 33.100 9.287 6.986 742 HG12 VAL 99 2HG1 VAL 99 31.636 10.237 7.261 743 HG13 VAL 99 3HG1 VAL 99 32.944 10.272 8.454 744 HG21 VAL 99 1HG2 VAL 99 32.487 6.609 9.503 745 HG22 VAL 99 2HG2 VAL 99 33.613 7.265 8.308 746 HG23 VAL 99 3HG2 VAL 99 33.423 8.060 9.879 747 HXT VAL 99 H02 VAL 99 28.696 8.261 9.107 Start of MODEL 2 1 H2 GLY 1 2H0 GLY 1 1.198 5.711 -2.201 2 H GLY 1 1H0 GLY 1 1.476 4.391 -3.123 3 HA2 GLY 1 1HA GLY 1 2.652 4.850 -0.432 4 HA3 GLY 1 2HA GLY 1 2.988 3.447 -1.476 5 H SER 2 H SER 2 5.205 4.085 -1.051 6 HA SER 2 HA SER 2 6.133 5.712 -3.312 7 HB2 SER 2 1HB SER 2 7.647 7.093 -1.958 8 HB3 SER 2 2HB SER 2 5.960 7.394 -1.499 9 HG SER 2 HG SER 2 6.372 5.753 0.195 10 H MET 3 H MET 3 8.327 5.197 -3.845 11 HA MET 3 HA MET 3 9.027 2.484 -3.017 12 HB2 MET 3 1HB MET 3 10.330 4.437 -4.948 13 HB3 MET 3 2HB MET 3 10.832 2.755 -4.711 14 HG2 MET 3 1HG MET 3 8.636 1.972 -5.479 15 HG3 MET 3 2HG MET 3 8.086 3.643 -5.663 16 HE1 MET 3 1HE MET 3 7.741 1.642 -8.017 17 HE2 MET 3 2HE MET 3 7.363 3.374 -8.190 18 HE3 MET 3 3HE MET 3 8.370 2.559 -9.405 19 H LYS 4 H LYS 4 9.616 2.636 -0.862 20 HA LYS 4 HA LYS 4 12.246 4.014 -0.393 21 HB2 LYS 4 1HB LYS 4 9.750 3.986 1.229 22 HB3 LYS 4 2HB LYS 4 11.195 3.480 2.106 23 HG2 LYS 4 1HG LYS 4 11.116 5.739 2.531 24 HG3 LYS 4 2HG LYS 4 12.286 5.634 1.205 25 HD2 LYS 4 1HD LYS 4 10.522 6.255 -0.400 26 HD3 LYS 4 2HD LYS 4 9.342 6.308 0.929 27 HE2 LYS 4 1HE LYS 4 10.732 8.055 2.046 28 HE3 LYS 4 2HE LYS 4 11.796 8.073 0.626 29 HZ1 LYS 4 1HZ LYS 4 8.890 8.652 0.584 30 HZ2 LYS 4 2HZ LYS 4 9.908 8.746 -0.711 31 HZ3 LYS 4 3HZ LYS 4 10.076 9.800 0.549 32 H TYR 5 H TYR 5 13.786 2.591 -0.033 33 HA TYR 5 HA TYR 5 14.899 0.698 0.387 34 HB2 TYR 5 1HB TYR 5 12.605 0.368 2.317 35 HB3 TYR 5 2HB TYR 5 13.970 -0.712 2.255 36 HD1 TYR 5 HD1 TYR 5 16.356 0.772 2.037 37 HD2 TYR 5 HD2 TYR 5 12.735 1.915 4.071 38 HE1 TYR 5 HE1 TYR 5 17.667 2.262 3.518 39 HE2 TYR 5 HE2 TYR 5 14.066 3.422 5.557 40 HH TYR 5 HH TYR 5 17.620 3.723 5.265 41 H LEU 6 H LEU 6 14.828 -1.752 0.566 42 HA LEU 6 HA LEU 6 13.687 -2.653 -1.956 43 HB2 LEU 6 1HB LEU 6 15.145 -4.186 0.226 44 HB3 LEU 6 2HB LEU 6 14.847 -4.756 -1.406 45 HG LEU 6 HG LEU 6 16.653 -2.433 -0.711 46 HD11 LEU 6 1HD1 LEU 6 17.507 -4.589 0.141 47 HD12 LEU 6 2HD1 LEU 6 18.484 -3.999 -1.217 48 HD13 LEU 6 3HD1 LEU 6 17.308 -5.308 -1.472 49 HD21 LEU 6 1HD2 LEU 6 16.193 -3.922 -3.326 50 HD22 LEU 6 2HD2 LEU 6 17.447 -2.691 -3.046 51 HD23 LEU 6 3HD2 LEU 6 15.730 -2.242 -2.975 52 H ASN 7 H ASN 7 12.961 -3.090 1.443 53 HA ASN 7 HA ASN 7 11.301 -4.140 2.594 54 HB2 ASN 7 1HB ASN 7 9.678 -3.781 0.044 55 HB3 ASN 7 2HB ASN 7 9.040 -4.018 1.683 56 HD21 ASN 7 1HD2 ASN 7 10.444 -0.643 2.568 57 HD22 ASN 7 2HD2 ASN 7 10.852 -2.271 3.060 58 H VAL 8 H VAL 8 13.047 -6.087 1.550 59 HA VAL 8 HA VAL 8 11.215 -8.230 0.579 60 HB VAL 8 HB VAL 8 12.915 -9.073 -0.679 61 HG11 VAL 8 1HG1 VAL 8 14.599 -7.521 -1.433 62 HG12 VAL 8 2HG1 VAL 8 13.094 -6.632 -1.155 63 HG13 VAL 8 3HG1 VAL 8 14.426 -6.538 0.034 64 HG21 VAL 8 1HG2 VAL 8 14.177 -10.142 0.973 65 HG22 VAL 8 2HG2 VAL 8 15.356 -9.116 0.137 66 HG23 VAL 8 3HG2 VAL 8 14.704 -8.617 1.703 67 H LEU 9 H LEU 9 11.579 -10.411 1.579 68 HA LEU 9 HA LEU 9 12.114 -10.100 4.501 69 HB2 LEU 9 1HB LEU 9 10.740 -12.328 2.972 70 HB3 LEU 9 2HB LEU 9 10.968 -12.276 4.714 71 HG LEU 9 HG LEU 9 9.259 -10.364 3.089 72 HD11 LEU 9 1HD1 LEU 9 7.379 -11.492 4.200 73 HD12 LEU 9 2HD1 LEU 9 8.510 -12.583 5.035 74 HD13 LEU 9 3HD1 LEU 9 8.346 -12.647 3.265 75 HD21 LEU 9 1HD2 LEU 9 9.723 -10.551 6.094 76 HD22 LEU 9 2HD2 LEU 9 8.442 -9.592 5.324 77 HD23 LEU 9 3HD2 LEU 9 10.139 -9.186 5.034 78 H ALA 10 H ALA 10 13.618 -11.386 5.566 79 HA ALA 10 HA ALA 10 15.153 -13.327 3.905 80 HB1 ALA 10 1HB ALA 10 16.408 -11.163 5.631 81 HB2 ALA 10 2HB ALA 10 17.270 -12.432 4.721 82 HB3 ALA 10 3HB ALA 10 16.363 -11.180 3.853 83 H LYS 11 H LYS 11 15.992 -15.070 5.055 84 HA LYS 11 HA LYS 11 14.995 -15.317 7.868 85 HB2 LYS 11 1HB LYS 11 14.174 -17.041 6.386 86 HB3 LYS 11 2HB LYS 11 15.792 -17.403 5.796 87 HG2 LYS 11 1HG LYS 11 16.445 -18.390 7.853 88 HG3 LYS 11 2HG LYS 11 15.059 -17.714 8.723 89 HD2 LYS 11 1HD LYS 11 14.741 -19.751 6.505 90 HD3 LYS 11 2HD LYS 11 15.010 -20.199 8.202 91 HE2 LYS 11 1HE LYS 11 13.027 -18.729 8.799 92 HE3 LYS 11 2HE LYS 11 12.688 -18.619 7.063 93 HZ1 LYS 11 1HZ LYS 11 11.408 -20.370 8.123 94 HZ2 LYS 11 2HZ LYS 11 12.779 -21.123 8.645 95 HZ3 LYS 11 3HZ LYS 11 12.453 -21.031 7.031 96 H ALA 12 H ALA 12 16.336 -15.708 9.526 97 HA ALA 12 HA ALA 12 19.223 -15.461 9.203 98 HB1 ALA 12 1HB ALA 12 17.452 -16.242 11.543 99 HB2 ALA 12 2HB ALA 12 19.193 -15.912 11.644 100 HB3 ALA 12 3HB ALA 12 18.067 -14.621 11.175 101 H LEU 13 H LEU 13 20.636 -17.087 8.701 102 HA LEU 13 HA LEU 13 19.680 -19.896 8.834 103 HB2 LEU 13 1HB LEU 13 22.359 -18.730 8.059 104 HB3 LEU 13 2HB LEU 13 21.930 -20.422 7.968 105 HG LEU 13 HG LEU 13 21.734 -19.943 5.830 106 HD11 LEU 13 1HD1 LEU 13 19.484 -19.519 5.061 107 HD12 LEU 13 2HD1 LEU 13 19.047 -18.763 6.600 108 HD13 LEU 13 3HD1 LEU 13 19.402 -20.509 6.523 109 HD21 LEU 13 1HD2 LEU 13 22.546 -17.630 6.240 110 HD22 LEU 13 2HD2 LEU 13 20.844 -17.131 6.374 111 HD23 LEU 13 3HD2 LEU 13 21.469 -17.802 4.854 112 H TYR 14 H TYR 14 21.365 -17.578 10.700 113 HA TYR 14 HA TYR 14 22.102 -19.661 12.679 114 HB2 TYR 14 1HB TYR 14 23.981 -17.466 11.735 115 HB3 TYR 14 2HB TYR 14 24.309 -18.679 12.973 116 HD1 TYR 14 HD1 TYR 14 24.168 -17.991 9.373 117 HD2 TYR 14 HD2 TYR 14 24.686 -21.078 12.317 118 HE1 TYR 14 HE1 TYR 14 25.049 -19.517 7.615 119 HE2 TYR 14 HE2 TYR 14 25.592 -22.589 10.566 120 HH TYR 14 HH TYR 14 25.921 -21.569 7.153 121 H ASP 15 H ASP 15 22.413 -18.721 14.802 122 HA ASP 15 HA ASP 15 20.726 -16.486 15.410 123 HB2 ASP 15 1HB ASP 15 22.945 -17.836 16.994 124 HB3 ASP 15 2HB ASP 15 21.701 -16.762 17.665 125 H ASN 16 H ASN 16 21.398 -14.431 16.260 126 HA ASN 16 HA ASN 16 24.249 -13.724 15.761 127 HB2 ASN 16 1HB ASN 16 22.795 -13.018 13.776 128 HB3 ASN 16 2HB ASN 16 22.021 -11.878 14.887 129 HD21 ASN 16 1HD2 ASN 16 24.517 -9.504 14.379 130 HD22 ASN 16 2HD2 ASN 16 22.822 -9.882 14.655 131 H VAL 17 H VAL 17 25.097 -12.376 17.200 132 HA VAL 17 HA VAL 17 23.277 -11.271 19.286 133 HB VAL 17 HB VAL 17 26.225 -12.055 19.501 134 HG11 VAL 17 1HG1 VAL 17 24.294 -10.950 21.593 135 HG12 VAL 17 2HG1 VAL 17 25.942 -11.537 21.921 136 HG13 VAL 17 3HG1 VAL 17 25.703 -10.107 20.903 137 HG21 VAL 17 1HG2 VAL 17 24.770 -14.048 19.450 138 HG22 VAL 17 2HG2 VAL 17 25.400 -13.798 21.093 139 HG23 VAL 17 3HG2 VAL 17 23.725 -13.339 20.702 140 H ALA 18 H ALA 18 23.175 -9.142 19.246 141 HA ALA 18 HA ALA 18 24.654 -7.649 17.257 142 HB1 ALA 18 1HB ALA 18 23.361 -5.731 18.188 143 HB2 ALA 18 2HB ALA 18 22.317 -7.110 17.767 144 HB3 ALA 18 3HB ALA 18 22.739 -6.790 19.468 145 H GLU 19 H GLU 19 26.619 -6.842 17.539 146 HA GLU 19 HA GLU 19 27.655 -6.572 20.343 147 HB2 GLU 19 1HB GLU 19 29.047 -6.775 17.650 148 HB3 GLU 19 2HB GLU 19 29.880 -6.510 19.196 149 HG2 GLU 19 1HG GLU 19 28.956 -8.626 20.050 150 HG3 GLU 19 2HG GLU 19 28.157 -8.910 18.506 151 H SER 20 H SER 20 26.639 -4.866 17.542 152 HA SER 20 HA SER 20 27.703 -2.293 18.671 153 HB2 SER 20 1HB SER 20 26.686 -2.957 15.871 154 HB3 SER 20 2HB SER 20 27.289 -1.374 16.410 155 HG SER 20 HG SER 20 28.861 -3.696 16.704 156 HA PRO 21 HA PRO 21 23.515 -1.514 19.730 157 HB2 PRO 21 1HB PRO 21 23.364 1.215 19.674 158 HB3 PRO 21 2HB PRO 21 24.320 0.332 20.907 159 HG2 PRO 21 1HG PRO 21 25.263 1.598 18.347 160 HG3 PRO 21 2HG PRO 21 25.940 1.746 19.996 161 HD2 PRO 21 1HD PRO 21 26.987 0.064 18.195 162 HD3 PRO 21 2HD PRO 21 26.920 -0.332 19.947 163 H ASP 22 H ASP 22 24.816 -0.672 16.674 164 HA ASP 22 HA ASP 22 22.302 0.237 15.490 165 HB2 ASP 22 1HB ASP 22 25.100 -0.295 14.413 166 HB3 ASP 22 2HB ASP 22 23.791 0.425 13.466 167 H GLU 23 H GLU 23 23.655 -2.699 16.351 168 HA GLU 23 HA GLU 23 22.928 -4.091 13.835 169 HB2 GLU 23 1HB GLU 23 25.196 -4.364 14.890 170 HB3 GLU 23 2HB GLU 23 24.407 -5.109 16.280 171 HG2 GLU 23 1HG GLU 23 23.553 -6.912 14.821 172 HG3 GLU 23 2HG GLU 23 24.353 -6.159 13.440 173 H LEU 24 H LEU 24 21.582 -5.941 13.823 174 HA LEU 24 HA LEU 24 19.632 -6.001 16.077 175 HB2 LEU 24 1HB LEU 24 19.612 -7.187 13.299 176 HB3 LEU 24 2HB LEU 24 18.408 -7.585 14.512 177 HG LEU 24 HG LEU 24 18.894 -4.818 13.379 178 HD11 LEU 24 1HD1 LEU 24 16.660 -5.211 12.335 179 HD12 LEU 24 2HD1 LEU 24 16.757 -6.901 12.884 180 HD13 LEU 24 3HD1 LEU 24 17.942 -6.271 11.721 181 HD21 LEU 24 1HD2 LEU 24 18.069 -4.646 15.644 182 HD22 LEU 24 2HD2 LEU 24 16.824 -5.885 15.335 183 HD23 LEU 24 3HD2 LEU 24 16.736 -4.302 14.534 184 H SER 25 H SER 25 19.244 -7.716 17.305 185 HA SER 25 HA SER 25 21.051 -10.069 17.031 186 HB2 SER 25 1HB SER 25 20.431 -10.501 19.408 187 HB3 SER 25 2HB SER 25 21.234 -8.927 19.225 188 HG SER 25 HG SER 25 18.416 -9.220 19.182 189 H PHE 26 H PHE 26 20.090 -11.964 16.648 190 HA PHE 26 HA PHE 26 17.213 -12.344 17.042 191 HB2 PHE 26 1HB PHE 26 16.796 -12.933 14.648 192 HB3 PHE 26 2HB PHE 26 17.041 -11.219 14.957 193 HD1 PHE 26 HD1 PHE 26 18.521 -10.009 13.677 194 HD2 PHE 26 HD2 PHE 26 18.949 -14.282 13.843 195 HE1 PHE 26 HE1 PHE 26 20.187 -9.910 11.878 196 HE2 PHE 26 HE2 PHE 26 20.653 -14.181 12.032 197 HZ PHE 26 HZ PHE 26 21.237 -12.003 10.997 198 H ARG 27 H ARG 27 16.480 -14.480 16.228 199 HA ARG 27 HA ARG 27 18.540 -16.499 17.002 200 HB2 ARG 27 1HB ARG 27 16.283 -16.230 18.178 201 HB3 ARG 27 2HB ARG 27 15.496 -16.603 16.654 202 HG2 ARG 27 1HG ARG 27 15.311 -18.612 17.686 203 HG3 ARG 27 2HG ARG 27 16.837 -18.883 16.849 204 HD2 ARG 27 1HD ARG 27 18.072 -18.342 18.909 205 HD3 ARG 27 2HD ARG 27 16.556 -17.944 19.721 206 HE ARG 27 HE ARG 27 16.007 -20.204 19.885 207 HH11 ARG 27 1HH1 ARG 27 19.036 -19.897 18.060 208 HH12 ARG 27 2HH1 ARG 27 19.365 -21.605 18.181 209 HH21 ARG 27 1HH2 ARG 27 16.514 -22.357 19.970 210 HH22 ARG 27 2HH2 ARG 27 17.980 -22.956 19.246 211 H LYS 28 H LYS 28 18.775 -18.406 15.780 212 HA LYS 28 HA LYS 28 18.695 -18.234 12.919 213 HB2 LYS 28 1HB LYS 28 20.095 -19.862 14.126 214 HB3 LYS 28 2HB LYS 28 18.666 -20.623 14.825 215 HG2 LYS 28 1HG LYS 28 17.956 -21.431 12.662 216 HG3 LYS 28 2HG LYS 28 19.259 -20.549 11.856 217 HD2 LYS 28 1HD LYS 28 20.927 -21.904 13.045 218 HD3 LYS 28 2HD LYS 28 19.629 -22.773 13.892 219 HE2 LYS 28 1HE LYS 28 19.445 -24.199 12.166 220 HE3 LYS 28 2HE LYS 28 19.107 -22.841 11.067 221 HZ1 LYS 28 1HZ LYS 28 21.759 -23.910 11.805 222 HZ2 LYS 28 2HZ LYS 28 21.538 -22.514 10.946 223 HZ3 LYS 28 3HZ LYS 28 21.062 -23.967 10.323 224 H GLY 29 H GLY 29 17.079 -18.467 11.519 225 HA2 GLY 29 1HA GLY 29 15.100 -19.536 10.731 226 HA3 GLY 29 2HA GLY 29 14.591 -19.837 12.396 227 H ASP 30 H ASP 30 15.507 -16.808 12.821 228 HA ASP 30 HA ASP 30 12.832 -15.777 12.735 229 HB2 ASP 30 1HB ASP 30 15.552 -14.486 13.138 230 HB3 ASP 30 2HB ASP 30 14.061 -13.546 13.121 231 H ILE 31 H ILE 31 12.017 -14.000 11.546 232 HA ILE 31 HA ILE 31 13.252 -13.695 8.839 233 HB ILE 31 HB ILE 31 10.303 -13.450 9.624 234 HG12 ILE 31 1HG1 ILE 31 10.929 -15.789 9.619 235 HG13 ILE 31 2HG1 ILE 31 9.960 -15.431 8.194 236 HG21 ILE 31 1HG2 ILE 31 11.734 -13.087 6.942 237 HG22 ILE 31 2HG2 ILE 31 9.971 -13.318 7.088 238 HG23 ILE 31 3HG2 ILE 31 10.745 -11.901 7.825 239 HD11 ILE 31 1HD1 ILE 31 12.231 -15.220 6.939 240 HD12 ILE 31 2HD1 ILE 31 12.889 -16.060 8.368 241 HD13 ILE 31 3HD1 ILE 31 11.625 -16.826 7.385 242 H MET 32 H MET 32 13.893 -11.693 8.340 243 HA MET 32 HA MET 32 12.648 -9.411 9.823 244 HB2 MET 32 1HB MET 32 14.850 -8.267 9.735 245 HB3 MET 32 2HB MET 32 14.844 -9.698 10.750 246 HG2 MET 32 1HG MET 32 15.682 -10.781 8.399 247 HG3 MET 32 2HG MET 32 16.366 -9.158 8.301 248 HE1 MET 32 1HE MET 32 16.324 -12.635 10.035 249 HE2 MET 32 2HE MET 32 17.248 -12.380 11.530 250 HE3 MET 32 3HE MET 32 15.613 -11.701 11.374 251 H THR 33 H THR 33 12.625 -7.455 8.704 252 HA THR 33 HA THR 33 12.224 -7.856 5.786 253 HB THR 33 HB THR 33 11.727 -5.424 7.570 254 HG1 THR 33 HG1 THR 33 9.526 -6.112 7.308 255 HG21 THR 33 1HG2 THR 33 10.905 -6.034 4.705 256 HG22 THR 33 2HG2 THR 33 12.014 -4.748 5.255 257 HG23 THR 33 3HG2 THR 33 10.289 -4.673 5.677 258 H VAL 34 H VAL 34 13.954 -7.564 4.494 259 HA VAL 34 HA VAL 34 16.238 -5.958 5.384 260 HB VAL 34 HB VAL 34 15.693 -7.193 2.676 261 HG11 VAL 34 1HG1 VAL 34 18.251 -6.142 3.945 262 HG12 VAL 34 2HG1 VAL 34 18.183 -7.078 2.433 263 HG13 VAL 34 3HG1 VAL 34 17.413 -5.478 2.523 264 HG21 VAL 34 1HG2 VAL 34 17.260 -8.966 3.502 265 HG22 VAL 34 2HG2 VAL 34 17.103 -8.268 5.119 266 HG23 VAL 34 3HG2 VAL 34 15.681 -8.946 4.294 267 H LEU 35 H LEU 35 16.458 -3.899 5.092 268 HA LEU 35 HA LEU 35 14.481 -2.492 3.398 269 HB2 LEU 35 1HB LEU 35 16.455 -1.562 5.503 270 HB3 LEU 35 2HB LEU 35 15.323 -0.516 4.665 271 HG LEU 35 HG LEU 35 14.514 -2.868 6.403 272 HD11 LEU 35 1HD1 LEU 35 14.663 0.089 6.968 273 HD12 LEU 35 2HD1 LEU 35 15.606 -1.221 7.723 274 HD13 LEU 35 3HD1 LEU 35 13.858 -1.113 8.004 275 HD21 LEU 35 1HD2 LEU 35 12.878 -0.612 5.177 276 HD22 LEU 35 2HD2 LEU 35 12.271 -1.798 6.355 277 HD23 LEU 35 3HD2 LEU 35 12.794 -2.341 4.751 278 H GLU 36 H GLU 36 18.033 -2.702 4.013 279 HA GLU 36 HA GLU 36 18.372 -2.453 1.114 280 HB2 GLU 36 1HB GLU 36 19.693 -0.559 1.011 281 HB3 GLU 36 2HB GLU 36 18.362 -0.077 2.049 282 HG2 GLU 36 1HG GLU 36 19.844 -0.545 3.962 283 HG3 GLU 36 2HG GLU 36 21.156 -0.694 2.799 284 H ARG 37 H ARG 37 20.875 -2.605 0.647 285 HA ARG 37 HA ARG 37 22.078 -4.447 2.675 286 HB2 ARG 37 1HB ARG 37 22.177 -4.698 -0.348 287 HB3 ARG 37 2HB ARG 37 23.010 -5.739 0.806 288 HG2 ARG 37 1HG ARG 37 20.704 -6.374 1.707 289 HG3 ARG 37 2HG ARG 37 20.041 -5.547 0.289 290 HD2 ARG 37 1HD ARG 37 21.873 -7.941 0.352 291 HD3 ARG 37 2HD ARG 37 20.217 -7.867 -0.276 292 HE ARG 37 HE ARG 37 21.756 -5.977 -1.700 293 HH11 ARG 37 1HH1 ARG 37 21.754 -9.481 -1.321 294 HH12 ARG 37 2HH1 ARG 37 22.463 -9.742 -2.894 295 HH21 ARG 37 1HH2 ARG 37 22.661 -6.375 -3.669 296 HH22 ARG 37 2HH2 ARG 37 22.973 -8.003 -4.204 297 H ASP 38 H ASP 38 24.305 -4.259 2.823 298 HA ASP 38 HA ASP 38 26.295 -3.216 2.819 299 HB2 ASP 38 1HB ASP 38 25.664 -2.505 -0.050 300 HB3 ASP 38 2HB ASP 38 27.262 -2.729 0.681 301 H THR 39 H THR 39 24.162 -1.966 3.877 302 HA THR 39 HA THR 39 23.687 0.728 3.073 303 HB THR 39 HB THR 39 22.142 -0.497 4.555 304 HG1 THR 39 HG1 THR 39 21.787 1.559 4.992 305 HG21 THR 39 1HG2 THR 39 24.326 -0.410 6.612 306 HG22 THR 39 2HG2 THR 39 23.664 -1.853 5.802 307 HG23 THR 39 3HG2 THR 39 22.639 -0.893 6.876 308 H GLN 40 H GLN 40 24.483 2.646 3.816 309 HA GLN 40 HA GLN 40 26.062 4.140 4.478 310 HB2 GLN 40 1HB GLN 40 26.897 2.257 6.668 311 HB3 GLN 40 2HB GLN 40 26.956 4.015 6.642 312 HG2 GLN 40 1HG GLN 40 24.428 3.946 6.508 313 HG3 GLN 40 2HG GLN 40 24.536 2.223 6.850 314 HE21 GLN 40 1HE2 GLN 40 24.322 2.926 10.239 315 HE22 GLN 40 2HE2 GLN 40 23.680 2.089 8.844 316 H GLY 41 H GLY 41 26.858 1.554 2.850 317 HA2 GLY 41 1HA GLY 41 28.793 1.131 1.613 318 HA3 GLY 41 2HA GLY 41 29.675 2.341 2.568 319 H LEU 42 H LEU 42 27.839 0.121 4.468 320 HA LEU 42 HA LEU 42 30.324 -1.137 5.409 321 HB2 LEU 42 1HB LEU 42 27.435 -1.454 6.264 322 HB3 LEU 42 2HB LEU 42 28.830 -2.102 7.112 323 HG LEU 42 HG LEU 42 28.365 0.856 6.713 324 HD11 LEU 42 1HD1 LEU 42 26.493 -0.085 7.940 325 HD12 LEU 42 2HD1 LEU 42 27.523 0.860 9.037 326 HD13 LEU 42 3HD1 LEU 42 27.604 -0.922 9.054 327 HD21 LEU 42 1HD2 LEU 42 29.896 1.032 8.631 328 HD22 LEU 42 2HD2 LEU 42 30.660 0.260 7.222 329 HD23 LEU 42 3HD2 LEU 42 30.115 -0.727 8.600 330 H ASP 43 H ASP 43 30.919 -2.428 3.660 331 HA ASP 43 HA ASP 43 29.166 -3.993 2.093 332 HB2 ASP 43 1HB ASP 43 32.101 -4.210 2.768 333 HB3 ASP 43 2HB ASP 43 31.306 -5.508 1.865 334 H GLY 44 H GLY 44 28.046 -5.782 2.369 335 HA2 GLY 44 1HA GLY 44 27.649 -7.948 3.187 336 HA3 GLY 44 2HA GLY 44 28.965 -7.765 4.352 337 H TRP 45 H TRP 45 27.490 -4.999 5.046 338 HA TRP 45 HA TRP 45 25.781 -6.259 7.093 339 HB2 TRP 45 1HB TRP 45 26.933 -3.527 6.585 340 HB3 TRP 45 2HB TRP 45 25.716 -3.770 7.809 341 HD1 TRP 45 HD1 TRP 45 29.391 -3.976 7.298 342 HE1 TRP 45 HE1 TRP 45 30.588 -4.974 9.298 343 HE3 TRP 45 HE3 TRP 45 25.280 -5.832 9.656 344 HZ2 TRP 45 HZ2 TRP 45 29.829 -6.471 11.641 345 HZ3 TRP 45 HZ3 TRP 45 25.564 -7.034 11.808 346 HH2 TRP 45 HH2 TRP 45 27.809 -7.364 12.780 347 H TRP 46 H TRP 46 23.629 -6.345 6.873 348 HA TRP 46 HA TRP 46 22.423 -4.691 4.682 349 HB2 TRP 46 1HB TRP 46 21.595 -7.386 5.825 350 HB3 TRP 46 2HB TRP 46 20.704 -6.489 4.587 351 HD1 TRP 46 HD1 TRP 46 24.098 -5.893 3.521 352 HE1 TRP 46 HE1 TRP 46 24.973 -7.510 1.788 353 HE3 TRP 46 HE3 TRP 46 20.575 -9.540 4.172 354 HZ2 TRP 46 HZ2 TRP 46 24.271 -10.126 0.834 355 HZ3 TRP 46 HZ3 TRP 46 20.758 -11.633 2.823 356 HH2 TRP 46 HH2 TRP 46 22.578 -11.905 1.153 357 H LEU 47 H LEU 47 20.937 -3.214 5.235 358 HA LEU 47 HA LEU 47 20.244 -2.859 8.049 359 HB2 LEU 47 1HB LEU 47 20.524 -0.943 6.489 360 HB3 LEU 47 2HB LEU 47 19.199 -1.559 5.511 361 HG LEU 47 HG LEU 47 17.643 -1.177 7.365 362 HD11 LEU 47 1HD1 LEU 47 19.029 -1.413 9.294 363 HD12 LEU 47 2HD1 LEU 47 18.390 0.233 9.283 364 HD13 LEU 47 3HD1 LEU 47 20.070 -0.061 8.782 365 HD21 LEU 47 1HD2 LEU 47 17.612 1.264 7.222 366 HD22 LEU 47 2HD2 LEU 47 18.029 0.548 5.653 367 HD23 LEU 47 3HD2 LEU 47 19.302 1.263 6.660 368 H CYS 48 H CYS 48 18.637 -3.924 9.048 369 HA CYS 48 HA CYS 48 16.267 -4.650 7.395 370 HB2 CYS 48 1HB CYS 48 17.449 -6.510 9.483 371 HB3 CYS 48 2HB CYS 48 16.150 -6.842 8.339 372 HG CYS 48 HG CYS 48 19.346 -6.266 7.706 373 H SER 49 H SER 49 14.436 -5.335 8.759 374 HA SER 49 HA SER 49 14.399 -3.858 11.363 375 HB2 SER 49 1HB SER 49 12.669 -2.616 10.668 376 HB3 SER 49 2HB SER 49 13.033 -3.151 9.031 377 HG SER 49 HG SER 49 11.661 -5.069 9.699 378 H LEU 50 H LEU 50 13.840 -5.089 13.021 379 HA LEU 50 HA LEU 50 12.199 -7.544 12.564 380 HB2 LEU 50 1HB LEU 50 14.615 -8.190 12.521 381 HB3 LEU 50 2HB LEU 50 14.828 -7.412 14.088 382 HG LEU 50 HG LEU 50 12.719 -9.209 14.486 383 HD11 LEU 50 1HD1 LEU 50 13.303 -10.243 12.339 384 HD12 LEU 50 2HD1 LEU 50 13.509 -11.328 13.735 385 HD13 LEU 50 3HD1 LEU 50 14.934 -10.567 12.981 386 HD21 LEU 50 1HD2 LEU 50 14.396 -10.414 15.864 387 HD22 LEU 50 2HD2 LEU 50 14.424 -8.657 16.121 388 HD23 LEU 50 3HD2 LEU 50 15.677 -9.428 15.119 389 H HIS 51 H HIS 51 10.659 -7.650 14.094 390 HA HIS 51 HA HIS 51 9.365 -7.112 15.907 391 HB2 HIS 51 1HB HIS 51 12.028 -6.816 17.343 392 HB3 HIS 51 2HB HIS 51 10.450 -7.043 18.100 393 HD1 HIS 51 HD1 HIS 51 12.702 -9.088 18.657 394 HD2 HIS 51 HD2 HIS 51 9.883 -9.499 15.621 395 HE1 HIS 51 HE1 HIS 51 12.587 -11.550 18.088 396 H GLY 52 H GLY 52 10.237 -4.873 14.143 397 HA2 GLY 52 1HA GLY 52 9.625 -2.630 14.138 398 HA3 GLY 52 2HA GLY 52 9.300 -2.725 15.871 399 H ARG 53 H ARG 53 12.432 -3.922 15.258 400 HA ARG 53 HA ARG 53 13.604 -1.259 15.949 401 HB2 ARG 53 1HB ARG 53 13.731 -3.459 17.480 402 HB3 ARG 53 2HB ARG 53 14.988 -3.920 16.349 403 HG2 ARG 53 1HG ARG 53 15.010 -1.358 18.018 404 HG3 ARG 53 2HG ARG 53 15.839 -2.859 18.457 405 HD2 ARG 53 1HD ARG 53 17.025 -2.685 16.192 406 HD3 ARG 53 2HD ARG 53 16.422 -1.035 16.116 407 HE ARG 53 HE ARG 53 18.571 -2.073 17.808 408 HH11 ARG 53 1HH1 ARG 53 16.433 0.674 17.201 409 HH12 ARG 53 2HH1 ARG 53 17.515 1.794 17.977 410 HH21 ARG 53 1HH2 ARG 53 19.906 -0.573 18.741 411 HH22 ARG 53 2HH2 ARG 53 19.421 1.095 18.853 412 H GLN 54 H GLN 54 15.139 -0.525 14.528 413 HA GLN 54 HA GLN 54 15.649 -2.186 12.111 414 HB2 GLN 54 1HB GLN 54 15.002 0.590 12.580 415 HB3 GLN 54 2HB GLN 54 16.572 0.468 11.775 416 HG2 GLN 54 1HG GLN 54 15.576 -0.883 10.033 417 HG3 GLN 54 2HG GLN 54 14.007 -0.815 10.862 418 HE21 GLN 54 1HE2 GLN 54 15.434 2.570 9.000 419 HE22 GLN 54 2HE2 GLN 54 16.556 1.369 9.589 420 H GLY 55 H GLY 55 17.754 -2.628 11.468 421 HA2 GLY 55 1HA GLY 55 20.015 -1.217 12.503 422 HA3 GLY 55 2HA GLY 55 19.768 -2.694 13.447 423 H ILE 56 H ILE 56 22.113 -2.535 12.171 424 HA ILE 56 HA ILE 56 21.867 -3.716 9.476 425 HB ILE 56 HB ILE 56 24.333 -3.703 9.432 426 HG12 ILE 56 1HG1 ILE 56 24.095 -2.777 12.343 427 HG13 ILE 56 2HG1 ILE 56 24.690 -4.342 11.812 428 HG21 ILE 56 1HG2 ILE 56 24.630 -1.310 9.470 429 HG22 ILE 56 2HG2 ILE 56 22.934 -1.588 9.039 430 HG23 ILE 56 3HG2 ILE 56 23.358 -1.083 10.694 431 HD11 ILE 56 1HD1 ILE 56 25.984 -1.626 11.454 432 HD12 ILE 56 2HD1 ILE 56 26.582 -3.024 12.372 433 HD13 ILE 56 3HD1 ILE 56 26.542 -3.086 10.598 434 H VAL 57 H VAL 57 22.802 -5.730 8.909 435 HA VAL 57 HA VAL 57 22.921 -7.764 11.089 436 HB VAL 57 HB VAL 57 21.283 -7.906 8.555 437 HG11 VAL 57 1HG1 VAL 57 21.826 -10.003 10.570 438 HG12 VAL 57 2HG1 VAL 57 20.478 -10.085 9.425 439 HG13 VAL 57 3HG1 VAL 57 22.152 -10.046 8.828 440 HG21 VAL 57 1HG2 VAL 57 20.108 -6.586 10.186 441 HG22 VAL 57 2HG2 VAL 57 19.342 -8.191 10.140 442 HG23 VAL 57 3HG2 VAL 57 20.467 -7.777 11.454 443 HA PRO 58 HA PRO 58 26.255 -8.943 8.343 444 HB2 PRO 58 1HB PRO 58 26.862 -11.414 9.339 445 HB3 PRO 58 2HB PRO 58 27.272 -9.901 10.203 446 HG2 PRO 58 1HG PRO 58 24.949 -11.740 10.645 447 HG3 PRO 58 2HG PRO 58 26.076 -11.026 11.839 448 HD2 PRO 58 1HD PRO 58 23.612 -9.969 11.288 449 HD3 PRO 58 2HD PRO 58 25.003 -8.961 11.766 450 H GLY 59 H GLY 59 25.509 -9.264 6.298 451 HA2 GLY 59 1HA GLY 59 23.350 -10.943 5.585 452 HA3 GLY 59 2HA GLY 59 24.598 -10.337 4.487 453 H ASN 60 H ASN 60 26.667 -11.758 6.204 454 HA ASN 60 HA ASN 60 26.798 -14.183 4.691 455 HB2 ASN 60 1HB ASN 60 28.679 -12.806 5.825 456 HB3 ASN 60 2HB ASN 60 28.265 -13.700 7.296 457 HD21 ASN 60 1HD2 ASN 60 30.732 -15.933 6.190 458 HD22 ASN 60 2HD2 ASN 60 30.306 -14.675 7.335 459 H ARG 61 H ARG 61 24.982 -13.413 7.516 460 HA ARG 61 HA ARG 61 24.627 -16.333 8.105 461 HB2 ARG 61 1HB ARG 61 24.210 -13.897 9.885 462 HB3 ARG 61 2HB ARG 61 23.811 -15.560 10.333 463 HG2 ARG 61 1HG ARG 61 26.180 -16.193 10.095 464 HG3 ARG 61 2HG ARG 61 26.591 -14.505 9.725 465 HD2 ARG 61 1HD ARG 61 25.731 -13.805 11.916 466 HD3 ARG 61 2HD ARG 61 25.243 -15.477 12.269 467 HE ARG 61 HE ARG 61 28.012 -15.473 11.610 468 HH11 ARG 61 1HH1 ARG 61 25.919 -14.373 14.253 469 HH12 ARG 61 2HH1 ARG 61 27.196 -14.531 15.427 470 HH21 ARG 61 1HH2 ARG 61 29.545 -15.664 13.148 471 HH22 ARG 61 2HH2 ARG 61 29.220 -15.242 14.816 472 H LEU 62 H LEU 62 23.316 -14.124 6.209 473 HA LEU 62 HA LEU 62 20.512 -14.738 7.049 474 HB2 LEU 62 1HB LEU 62 21.565 -12.313 7.272 475 HB3 LEU 62 2HB LEU 62 21.224 -12.247 5.548 476 HG LEU 62 HG LEU 62 18.850 -12.764 6.058 477 HD11 LEU 62 1HD1 LEU 62 17.979 -12.420 8.247 478 HD12 LEU 62 2HD1 LEU 62 19.623 -12.233 8.900 479 HD13 LEU 62 3HD1 LEU 62 19.097 -13.777 8.213 480 HD21 LEU 62 1HD2 LEU 62 20.110 -10.278 7.224 481 HD22 LEU 62 2HD2 LEU 62 18.360 -10.466 6.975 482 HD23 LEU 62 3HD2 LEU 62 19.461 -10.516 5.588 483 H LYS 63 H LYS 63 19.015 -15.187 5.482 484 HA LYS 63 HA LYS 63 20.097 -15.333 2.693 485 HB2 LYS 63 1HB LYS 63 19.841 -17.575 3.654 486 HB3 LYS 63 2HB LYS 63 18.142 -17.249 4.002 487 HG2 LYS 63 1HG LYS 63 17.696 -16.981 1.588 488 HG3 LYS 63 2HG LYS 63 19.404 -17.262 1.228 489 HD2 LYS 63 1HD LYS 63 17.574 -19.257 2.605 490 HD3 LYS 63 2HD LYS 63 17.913 -19.246 0.867 491 HE2 LYS 63 1HE LYS 63 19.977 -19.601 3.060 492 HE3 LYS 63 2HE LYS 63 19.284 -20.903 2.083 493 HZ1 LYS 63 1HZ LYS 63 20.270 -19.842 0.125 494 HZ2 LYS 63 2HZ LYS 63 21.434 -20.229 1.231 495 HZ3 LYS 63 3HZ LYS 63 20.940 -18.662 1.061 496 H ILE 64 H ILE 64 19.157 -14.080 1.371 497 HA ILE 64 HA ILE 64 16.687 -12.718 1.935 498 HB ILE 64 HB ILE 64 18.161 -13.138 -0.708 499 HG12 ILE 64 1HG1 ILE 64 19.638 -12.117 0.935 500 HG13 ILE 64 2HG1 ILE 64 19.181 -10.961 -0.295 501 HG21 ILE 64 1HG2 ILE 64 15.967 -12.356 -1.193 502 HG22 ILE 64 2HG2 ILE 64 16.007 -11.215 0.156 503 HG23 ILE 64 3HG2 ILE 64 17.026 -10.929 -1.268 504 HD11 ILE 64 1HD1 ILE 64 18.263 -11.057 2.602 505 HD12 ILE 64 2HD1 ILE 64 19.130 -9.761 1.760 506 HD13 ILE 64 3HD1 ILE 64 17.430 -10.056 1.379 507 H LEU 65 H LEU 65 14.665 -13.452 1.688 508 HA LEU 65 HA LEU 65 14.322 -16.072 0.339 509 HB2 LEU 65 1HB LEU 65 12.376 -14.429 1.995 510 HB3 LEU 65 2HB LEU 65 12.107 -16.063 1.391 511 HG LEU 65 HG LEU 65 14.161 -15.218 3.465 512 HD11 LEU 65 1HD1 LEU 65 11.849 -15.169 4.242 513 HD12 LEU 65 2HD1 LEU 65 12.719 -16.527 4.972 514 HD13 LEU 65 3HD1 LEU 65 11.594 -16.827 3.637 515 HD21 LEU 65 1HD2 LEU 65 13.578 -17.974 2.302 516 HD22 LEU 65 2HD2 LEU 65 14.510 -17.692 3.791 517 HD23 LEU 65 3HD2 LEU 65 15.121 -17.084 2.244 518 H VAL 66 H VAL 66 14.622 -15.294 -1.778 519 HA VAL 66 HA VAL 66 12.769 -13.341 -2.911 520 HB VAL 66 HB VAL 66 14.571 -15.398 -4.305 521 HG11 VAL 66 1HG1 VAL 66 14.370 -13.836 -6.259 522 HG12 VAL 66 2HG1 VAL 66 12.829 -14.591 -5.815 523 HG13 VAL 66 3HG1 VAL 66 13.161 -12.901 -5.353 524 HG21 VAL 66 1HG2 VAL 66 15.093 -12.478 -3.594 525 HG22 VAL 66 2HG2 VAL 66 15.950 -13.903 -2.957 526 HG23 VAL 66 3HG2 VAL 66 16.116 -13.459 -4.665 527 H GLY 67 H GLY 67 10.846 -13.837 -3.974 528 HA2 GLY 67 1HA GLY 67 9.684 -16.460 -3.423 529 HA3 GLY 67 2HA GLY 67 8.893 -15.082 -4.206 530 H MET 68 H MET 68 8.284 -15.530 -6.230 531 HA MET 68 HA MET 68 10.135 -17.174 -7.902 532 HB2 MET 68 1HB MET 68 8.299 -18.237 -8.935 533 HB3 MET 68 2HB MET 68 8.059 -18.405 -7.203 534 HG2 MET 68 1HG MET 68 6.676 -16.305 -8.922 535 HG3 MET 68 2HG MET 68 5.985 -17.884 -8.547 536 HE1 MET 68 1HE MET 68 6.200 -14.254 -7.573 537 HE2 MET 68 2HE MET 68 4.624 -14.976 -7.977 538 HE3 MET 68 3HE MET 68 4.906 -14.314 -6.350 539 H TYR 69 H TYR 69 10.105 -16.684 -10.158 540 HA TYR 69 HA TYR 69 8.752 -14.330 -11.163 541 HB2 TYR 69 1HB TYR 69 10.857 -13.025 -11.613 542 HB3 TYR 69 2HB TYR 69 10.381 -13.085 -9.918 543 HD1 TYR 69 HD1 TYR 69 11.611 -14.827 -8.372 544 HD2 TYR 69 HD2 TYR 69 13.075 -13.629 -12.246 545 HE1 TYR 69 HE1 TYR 69 13.861 -15.704 -7.796 546 HE2 TYR 69 HE2 TYR 69 15.340 -14.479 -11.638 547 HH TYR 69 HH TYR 69 16.022 -15.974 -8.472 548 H ASP 70 H ASP 70 11.867 -16.056 -11.694 549 HA ASP 70 HA ASP 70 11.484 -16.198 -14.572 550 HB2 ASP 70 1HB ASP 70 13.691 -16.034 -13.395 551 HB3 ASP 70 2HB ASP 70 13.424 -17.655 -12.730 552 H LYS 71 H LYS 71 10.751 -18.284 -11.854 553 HA LYS 71 HA LYS 71 9.830 -20.384 -13.752 554 HB2 LYS 71 1HB LYS 71 11.407 -20.828 -11.187 555 HB3 LYS 71 2HB LYS 71 10.663 -22.106 -12.164 556 HG2 LYS 71 1HG LYS 71 12.053 -21.364 -14.109 557 HG3 LYS 71 2HG LYS 71 12.867 -20.212 -13.040 558 HD2 LYS 71 1HD LYS 71 13.653 -22.063 -11.631 559 HD3 LYS 71 2HD LYS 71 12.853 -23.224 -12.721 560 HE2 LYS 71 1HE LYS 71 14.204 -22.346 -14.618 561 HE3 LYS 71 2HE LYS 71 15.016 -21.220 -13.514 562 HZ1 LYS 71 1HZ LYS 71 15.879 -23.138 -12.311 563 HZ2 LYS 71 2HZ LYS 71 16.333 -23.204 -13.894 564 HZ3 LYS 71 3HZ LYS 71 15.125 -24.180 -13.342 565 H LYS 72 H LYS 72 8.347 -21.939 -12.750 566 HA LYS 72 HA LYS 72 6.130 -20.592 -11.567 567 HB2 LYS 72 1HB LYS 72 6.774 -23.567 -11.749 568 HB3 LYS 72 2HB LYS 72 5.192 -22.895 -11.333 569 HG2 LYS 72 1HG LYS 72 5.082 -21.804 -13.565 570 HG3 LYS 72 2HG LYS 72 6.644 -22.534 -13.985 571 HD2 LYS 72 1HD LYS 72 5.656 -24.792 -13.646 572 HD3 LYS 72 2HD LYS 72 4.087 -24.031 -13.306 573 HE2 LYS 72 1HE LYS 72 4.113 -22.992 -15.567 574 HE3 LYS 72 2HE LYS 72 5.675 -23.768 -15.901 575 HZ1 LYS 72 1HZ LYS 72 3.850 -25.037 -16.834 576 HZ2 LYS 72 2HZ LYS 72 3.127 -25.190 -15.361 577 HZ3 LYS 72 3HZ LYS 72 4.576 -25.923 -15.648 578 HA PRO 73 HA PRO 73 7.267 -20.800 -7.331 579 HB2 PRO 73 1HB PRO 73 4.875 -20.869 -6.023 580 HB3 PRO 73 2HB PRO 73 5.431 -19.426 -6.916 581 HG2 PRO 73 1HG PRO 73 3.589 -21.612 -7.840 582 HG3 PRO 73 2HG PRO 73 3.335 -19.836 -7.875 583 HD2 PRO 73 1HD PRO 73 4.208 -21.173 -10.046 584 HD3 PRO 73 2HD PRO 73 4.856 -19.544 -9.647 585 H ALA 74 H ALA 74 7.298 -22.106 -5.417 586 HA ALA 74 HA ALA 74 5.984 -24.714 -5.360 587 HB1 ALA 74 1HB ALA 74 9.041 -24.489 -5.548 588 HB2 ALA 74 2HB ALA 74 8.127 -25.981 -5.212 589 HB3 ALA 74 3HB ALA 74 7.989 -25.193 -6.798 590 H GLY 75 H GLY 75 6.866 -25.757 -3.146 591 HA2 GLY 75 1HA GLY 75 8.102 -23.890 -1.311 592 HA3 GLY 75 2HA GLY 75 6.360 -24.090 -1.004 593 H SER 76 H SER 76 8.130 -24.912 0.954 594 HA SER 76 HA SER 76 8.036 -27.889 0.692 595 HB2 SER 76 1HB SER 76 10.195 -26.299 2.105 596 HB3 SER 76 2HB SER 76 10.171 -28.047 1.773 597 HG SER 76 HG SER 76 10.148 -27.469 -0.486 598 H GLY 77 H GLY 77 6.892 -25.280 2.495 599 HA2 GLY 77 1HA GLY 77 5.716 -25.288 4.495 600 HA3 GLY 77 2HA GLY 77 6.007 -27.031 4.622 601 H GLY 78 H GLY 78 6.542 -26.933 6.826 602 HA2 GLY 78 1HA GLY 78 9.200 -25.683 7.385 603 HA3 GLY 78 2HA GLY 78 7.865 -25.631 8.556 604 H SER 79 H SER 79 10.380 -26.838 9.119 605 HA SER 79 HA SER 79 9.499 -29.592 9.712 606 HB2 SER 79 1HB SER 79 10.659 -29.763 7.496 607 HB3 SER 79 2HB SER 79 12.086 -28.979 8.206 608 HG SER 79 HG SER 79 12.239 -31.267 8.205 609 H GLY 80 H GLY 80 11.035 -30.541 11.331 610 HA2 GLY 80 1HA GLY 80 12.650 -28.447 12.720 611 HA3 GLY 80 2HA GLY 80 11.542 -29.500 13.624 612 H SER 81 H SER 81 14.632 -29.164 13.422 613 HA SER 81 HA SER 81 15.205 -32.060 13.429 614 HB2 SER 81 1HB SER 81 16.717 -30.079 11.669 615 HB3 SER 81 2HB SER 81 17.099 -31.802 11.884 616 HG SER 81 HG SER 81 14.615 -31.822 11.201 617 H GLY 82 H GLY 82 17.282 -32.482 14.473 618 HA2 GLY 82 1HA GLY 82 17.941 -30.407 16.453 619 HA3 GLY 82 2HA GLY 82 18.530 -32.083 16.417 620 H LEU 83 H LEU 83 19.093 -28.805 15.397 621 HA LEU 83 HA LEU 83 21.497 -29.680 13.870 622 HB2 LEU 83 1HB LEU 83 20.043 -27.020 13.880 623 HB3 LEU 83 2HB LEU 83 21.475 -27.413 12.937 624 HG LEU 83 HG LEU 83 18.771 -28.763 12.611 625 HD11 LEU 83 1HD1 LEU 83 18.693 -26.408 11.952 626 HD12 LEU 83 2HD1 LEU 83 18.650 -27.446 10.509 627 HD13 LEU 83 3HD1 LEU 83 20.157 -26.615 10.958 628 HD21 LEU 83 1HD2 LEU 83 21.327 -28.929 10.955 629 HD22 LEU 83 2HD2 LEU 83 19.756 -29.619 10.485 630 HD23 LEU 83 3HD2 LEU 83 20.600 -30.240 11.914 631 H THR 84 H THR 84 22.770 -30.117 15.641 632 HA THR 84 HA THR 84 23.558 -27.763 17.320 633 HB THR 84 HB THR 84 24.479 -29.542 18.886 634 HG1 THR 84 HG1 THR 84 24.506 -31.231 17.282 635 HG21 THR 84 1HG2 THR 84 22.332 -30.188 19.853 636 HG22 THR 84 2HG2 THR 84 21.494 -29.793 18.336 637 HG23 THR 84 3HG2 THR 84 22.256 -28.503 19.297 638 H ASP 85 H ASP 85 25.884 -27.778 17.842 639 HA ASP 85 HA ASP 85 28.055 -27.668 17.236 640 HB2 ASP 85 1HB ASP 85 27.434 -30.332 16.994 641 HB3 ASP 85 2HB ASP 85 28.078 -29.981 15.385 642 H GLU 86 H GLU 86 25.690 -26.911 15.294 643 HA GLU 86 HA GLU 86 27.157 -26.546 12.783 644 HB2 GLU 86 1HB GLU 86 24.682 -27.092 12.982 645 HB3 GLU 86 2HB GLU 86 24.449 -25.459 13.615 646 HG2 GLU 86 1HG GLU 86 25.451 -24.576 11.471 647 HG3 GLU 86 2HG GLU 86 25.456 -26.238 10.857 648 H LEU 87 H LEU 87 28.891 -25.241 13.517 649 HA LEU 87 HA LEU 87 28.425 -22.831 15.034 650 HB2 LEU 87 1HB LEU 87 30.841 -23.741 13.437 651 HB3 LEU 87 2HB LEU 87 30.820 -22.364 14.540 652 HG LEU 87 HG LEU 87 30.289 -25.235 15.387 653 HD11 LEU 87 1HD1 LEU 87 32.538 -25.164 16.358 654 HD12 LEU 87 2HD1 LEU 87 32.793 -23.532 15.685 655 HD13 LEU 87 3HD1 LEU 87 32.591 -24.932 14.602 656 HD21 LEU 87 1HD2 LEU 87 30.657 -24.344 17.676 657 HD22 LEU 87 2HD2 LEU 87 29.232 -23.632 16.907 658 HD23 LEU 87 3HD2 LEU 87 30.745 -22.695 17.014 659 H ALA 88 H ALA 88 28.301 -20.745 14.444 660 HA ALA 88 HA ALA 88 27.357 -20.253 11.764 661 HB1 ALA 88 1HB ALA 88 26.382 -19.205 13.806 662 HB2 ALA 88 2HB ALA 88 27.897 -18.297 14.038 663 HB3 ALA 88 3HB ALA 88 26.890 -18.005 12.598 664 HA PRO 89 HA PRO 89 31.215 -18.851 10.106 665 HB2 PRO 89 1HB PRO 89 30.416 -17.382 7.967 666 HB3 PRO 89 2HB PRO 89 30.156 -19.152 8.028 667 HG2 PRO 89 1HG PRO 89 28.244 -16.941 8.730 668 HG3 PRO 89 2HG PRO 89 28.006 -18.322 7.610 669 HD2 PRO 89 1HD PRO 89 27.134 -18.404 10.169 670 HD3 PRO 89 2HD PRO 89 27.812 -19.861 9.366 671 HA PRO 90 HA PRO 90 32.117 -14.883 11.796 672 HB2 PRO 90 1HB PRO 90 33.544 -14.136 9.245 673 HB3 PRO 90 2HB PRO 90 34.151 -14.124 10.932 674 HG2 PRO 90 1HG PRO 90 34.936 -16.020 9.279 675 HG3 PRO 90 2HG PRO 90 34.461 -16.439 10.958 676 HD2 PRO 90 1HD PRO 90 32.852 -16.679 8.413 677 HD3 PRO 90 2HD PRO 90 33.104 -17.890 9.722 678 H LYS 91 H LYS 91 31.726 -12.594 11.695 679 HA LYS 91 HA LYS 91 29.740 -11.783 9.616 680 HB2 LYS 91 1HB LYS 91 29.235 -9.912 11.182 681 HB3 LYS 91 2HB LYS 91 28.904 -11.495 11.886 682 HG2 LYS 91 1HG LYS 91 30.872 -11.371 13.282 683 HG3 LYS 91 2HG LYS 91 31.447 -9.930 12.425 684 HD2 LYS 91 1HD LYS 91 30.533 -9.227 14.535 685 HD3 LYS 91 2HD LYS 91 29.459 -8.665 13.251 686 HE2 LYS 91 1HE LYS 91 27.863 -10.480 13.750 687 HE3 LYS 91 2HE LYS 91 28.991 -11.158 14.945 688 HZ1 LYS 91 1HZ LYS 91 27.333 -9.839 16.060 689 HZ2 LYS 91 2HZ LYS 91 27.635 -8.521 15.118 690 HZ3 LYS 91 3HZ LYS 91 28.787 -9.061 16.189 691 HA PRO 92 HA PRO 92 32.953 -9.262 7.941 692 HB2 PRO 92 1HB PRO 92 31.616 -7.074 6.950 693 HB3 PRO 92 2HB PRO 92 31.503 -8.701 6.203 694 HG2 PRO 92 1HG PRO 92 29.635 -7.375 8.117 695 HG3 PRO 92 2HG PRO 92 29.271 -8.201 6.588 696 HD2 PRO 92 1HD PRO 92 28.988 -9.398 8.986 697 HD3 PRO 92 2HD PRO 92 29.539 -10.309 7.542 698 HA PRO 93 HA PRO 93 34.028 -6.394 11.119 699 HB2 PRO 93 1HB PRO 93 35.837 -4.737 9.962 700 HB3 PRO 93 2HB PRO 93 36.162 -6.490 10.146 701 HG2 PRO 93 1HG PRO 93 35.086 -5.012 7.759 702 HG3 PRO 93 2HG PRO 93 36.486 -6.131 7.853 703 HD2 PRO 93 1HD PRO 93 34.042 -6.965 7.050 704 HD3 PRO 93 2HD PRO 93 35.109 -8.016 8.046 705 H LEU 94 H LEU 94 34.272 -3.977 11.674 706 HA LEU 94 HA LEU 94 32.406 -2.271 10.123 707 HB2 LEU 94 1HB LEU 94 32.353 -2.963 13.067 708 HB3 LEU 94 2HB LEU 94 31.786 -1.392 12.522 709 HG LEU 94 HG LEU 94 30.629 -4.063 11.678 710 HD11 LEU 94 1HD1 LEU 94 30.203 -3.368 14.021 711 HD12 LEU 94 2HD1 LEU 94 28.739 -3.403 13.017 712 HD13 LEU 94 3HD1 LEU 94 29.511 -1.848 13.402 713 HD21 LEU 94 1HD2 LEU 94 28.805 -2.683 10.710 714 HD22 LEU 94 2HD2 LEU 94 30.346 -2.426 9.893 715 HD23 LEU 94 3HD2 LEU 94 29.748 -1.213 11.054 716 HA PRO 95 HA PRO 95 35.640 0.687 10.830 717 HB2 PRO 95 1HB PRO 95 34.334 3.054 10.599 718 HB3 PRO 95 2HB PRO 95 34.484 1.937 9.208 719 HG2 PRO 95 1HG PRO 95 32.197 2.277 11.135 720 HG3 PRO 95 2HG PRO 95 32.163 2.271 9.342 721 HD2 PRO 95 1HD PRO 95 31.592 0.052 10.839 722 HD3 PRO 95 2HD PRO 95 32.377 -0.052 9.239 723 H GLU 96 H GLU 96 36.236 2.599 12.202 724 HA GLU 96 HA GLU 96 35.212 2.189 14.960 725 HB2 GLU 96 1HB GLU 96 37.733 3.529 13.914 726 HB3 GLU 96 2HB GLU 96 37.311 3.341 15.622 727 HG2 GLU 96 1HG GLU 96 37.327 0.879 15.350 728 HG3 GLU 96 2HG GLU 96 37.809 1.076 13.656 729 H GLY 97 H GLY 97 33.859 3.906 12.815 730 HA2 GLY 97 1HA GLY 97 32.760 5.883 14.327 731 HA3 GLY 97 2HA GLY 97 34.264 6.636 13.777 732 H GLU 98 H GLU 98 32.465 8.104 12.861 733 HA GLU 98 HA GLU 98 31.006 7.192 10.548 734 HB2 GLU 98 1HB GLU 98 30.390 9.184 11.936 735 HB3 GLU 98 2HB GLU 98 31.818 10.022 11.324 736 HG2 GLU 98 1HG GLU 98 30.915 9.828 9.008 737 HG3 GLU 98 2HG GLU 98 29.474 9.027 9.656 738 H VAL 99 H VAL 99 32.114 6.360 8.894 739 HA VAL 99 HA VAL 99 34.751 7.367 8.167 740 HB VAL 99 HB VAL 99 34.093 4.951 8.282 741 HG11 VAL 99 1HG1 VAL 99 31.833 5.040 7.229 742 HG12 VAL 99 2HG1 VAL 99 32.553 5.493 5.674 743 HG13 VAL 99 3HG1 VAL 99 32.866 3.900 6.376 744 HG21 VAL 99 1HG2 VAL 99 36.135 5.677 7.029 745 HG22 VAL 99 2HG2 VAL 99 35.415 4.221 6.330 746 HG23 VAL 99 3HG2 VAL 99 35.184 5.792 5.540 747 HXT VAL 99 H02 VAL 99 31.890 8.159 7.347 Start of MODEL 3 1 H2 GLY 1 2H0 GLY 1 3.638 3.080 -8.702 2 H GLY 1 1H0 GLY 1 4.514 1.712 -8.566 3 HA2 GLY 1 1HA GLY 1 2.779 2.832 -6.429 4 HA3 GLY 1 2HA GLY 1 3.779 1.365 -6.280 5 H SER 2 H SER 2 4.449 2.591 -4.345 6 HA SER 2 HA SER 2 6.960 4.010 -5.016 7 HB2 SER 2 1HB SER 2 4.907 5.117 -3.055 8 HB3 SER 2 2HB SER 2 6.526 5.782 -3.367 9 HG SER 2 HG SER 2 5.382 5.538 -5.712 10 H MET 3 H MET 3 8.590 3.381 -3.710 11 HA MET 3 HA MET 3 7.927 1.962 -1.170 12 HB2 MET 3 1HB MET 3 9.834 1.040 -3.358 13 HB3 MET 3 2HB MET 3 9.720 0.318 -1.748 14 HG2 MET 3 1HG MET 3 7.412 -0.378 -2.189 15 HG3 MET 3 2HG MET 3 7.451 0.430 -3.765 16 HE1 MET 3 1HE MET 3 9.672 -3.504 -2.707 17 HE2 MET 3 2HE MET 3 10.080 -1.990 -1.880 18 HE3 MET 3 3HE MET 3 8.460 -2.704 -1.679 19 H LYS 4 H LYS 4 9.748 2.065 0.326 20 HA LYS 4 HA LYS 4 11.453 4.463 -0.223 21 HB2 LYS 4 1HB LYS 4 10.757 3.083 2.393 22 HB3 LYS 4 2HB LYS 4 11.763 4.529 2.228 23 HG2 LYS 4 1HG LYS 4 9.820 5.751 1.294 24 HG3 LYS 4 2HG LYS 4 8.817 4.304 1.534 25 HD2 LYS 4 1HD LYS 4 9.355 4.371 3.967 26 HD3 LYS 4 2HD LYS 4 10.260 5.876 3.706 27 HE2 LYS 4 1HE LYS 4 7.295 5.447 3.130 28 HE3 LYS 4 2HE LYS 4 7.956 6.286 4.546 29 HZ1 LYS 4 1HZ LYS 4 8.913 7.925 3.053 30 HZ2 LYS 4 2HZ LYS 4 7.281 7.839 2.818 31 HZ3 LYS 4 3HZ LYS 4 8.313 7.145 1.729 32 H TYR 5 H TYR 5 11.463 1.104 0.291 33 HA TYR 5 HA TYR 5 14.412 0.949 0.246 34 HB2 TYR 5 1HB TYR 5 12.497 0.005 2.391 35 HB3 TYR 5 2HB TYR 5 14.028 -0.804 2.128 36 HD1 TYR 5 HD1 TYR 5 16.181 0.767 2.051 37 HD2 TYR 5 HD2 TYR 5 12.428 1.838 3.861 38 HE1 TYR 5 HE1 TYR 5 17.336 2.471 3.444 39 HE2 TYR 5 HE2 TYR 5 13.583 3.552 5.224 40 HH TYR 5 HH TYR 5 15.587 4.557 5.743 41 H LEU 6 H LEU 6 14.910 -1.574 0.273 42 HA LEU 6 HA LEU 6 13.662 -2.746 -2.040 43 HB2 LEU 6 1HB LEU 6 15.205 -4.105 0.203 44 HB3 LEU 6 2HB LEU 6 14.900 -4.762 -1.395 45 HG LEU 6 HG LEU 6 16.671 -2.387 -0.798 46 HD11 LEU 6 1HD1 LEU 6 18.523 -3.929 -1.297 47 HD12 LEU 6 2HD1 LEU 6 17.360 -5.261 -1.523 48 HD13 LEU 6 3HD1 LEU 6 17.563 -4.514 0.078 49 HD21 LEU 6 1HD2 LEU 6 17.447 -2.664 -3.116 50 HD22 LEU 6 2HD2 LEU 6 15.725 -2.245 -3.055 51 HD23 LEU 6 3HD2 LEU 6 16.219 -3.924 -3.378 52 H ASN 7 H ASN 7 13.247 -3.135 1.454 53 HA ASN 7 HA ASN 7 11.656 -4.150 2.743 54 HB2 ASN 7 1HB ASN 7 9.952 -3.240 0.399 55 HB3 ASN 7 2HB ASN 7 9.275 -3.893 1.898 56 HD21 ASN 7 1HD2 ASN 7 10.335 -1.103 3.900 57 HD22 ASN 7 2HD2 ASN 7 10.310 -2.847 3.925 58 H VAL 8 H VAL 8 13.087 -6.138 1.737 59 HA VAL 8 HA VAL 8 11.117 -8.136 0.699 60 HB VAL 8 HB VAL 8 12.734 -9.038 -0.640 61 HG11 VAL 8 1HG1 VAL 8 14.335 -6.533 0.013 62 HG12 VAL 8 2HG1 VAL 8 14.413 -7.504 -1.474 63 HG13 VAL 8 3HG1 VAL 8 12.942 -6.590 -1.106 64 HG21 VAL 8 1HG2 VAL 8 14.043 -10.135 0.975 65 HG22 VAL 8 2HG2 VAL 8 15.193 -9.187 0.019 66 HG23 VAL 8 3HG2 VAL 8 14.691 -8.615 1.618 67 H LEU 9 H LEU 9 11.437 -10.382 1.640 68 HA LEU 9 HA LEU 9 12.043 -10.124 4.547 69 HB2 LEU 9 1HB LEU 9 10.726 -12.366 2.987 70 HB3 LEU 9 2HB LEU 9 10.932 -12.313 4.732 71 HG LEU 9 HG LEU 9 9.208 -10.425 3.089 72 HD11 LEU 9 1HD1 LEU 9 7.333 -11.617 4.150 73 HD12 LEU 9 2HD1 LEU 9 8.474 -12.704 4.982 74 HD13 LEU 9 3HD1 LEU 9 8.342 -12.729 3.205 75 HD21 LEU 9 1HD2 LEU 9 10.027 -9.269 5.079 76 HD22 LEU 9 2HD2 LEU 9 9.596 -10.658 6.103 77 HD23 LEU 9 3HD2 LEU 9 8.325 -9.702 5.312 78 H ALA 10 H ALA 10 13.602 -11.377 5.589 79 HA ALA 10 HA ALA 10 15.085 -13.348 3.909 80 HB1 ALA 10 1HB ALA 10 16.389 -11.189 5.609 81 HB2 ALA 10 2HB ALA 10 17.228 -12.483 4.719 82 HB3 ALA 10 3HB ALA 10 16.343 -11.230 3.832 83 H LYS 11 H LYS 11 15.897 -15.103 5.043 84 HA LYS 11 HA LYS 11 14.942 -15.323 7.876 85 HB2 LYS 11 1HB LYS 11 14.013 -16.963 6.366 86 HB3 LYS 11 2HB LYS 11 15.613 -17.448 5.809 87 HG2 LYS 11 1HG LYS 11 16.149 -18.437 7.922 88 HG3 LYS 11 2HG LYS 11 14.753 -17.690 8.713 89 HD2 LYS 11 1HD LYS 11 14.490 -19.732 6.483 90 HD3 LYS 11 2HD LYS 11 14.588 -20.170 8.207 91 HE2 LYS 11 1HE LYS 11 12.629 -18.641 8.643 92 HE3 LYS 11 2HE LYS 11 12.467 -18.437 6.889 93 HZ1 LYS 11 1HZ LYS 11 12.066 -20.800 6.709 94 HZ2 LYS 11 2HZ LYS 11 10.976 -20.116 7.740 95 HZ3 LYS 11 3HZ LYS 11 12.229 -20.999 8.342 96 H ALA 12 H ALA 12 16.290 -15.769 9.503 97 HA ALA 12 HA ALA 12 19.154 -15.501 9.129 98 HB1 ALA 12 1HB ALA 12 18.014 -14.625 11.124 99 HB2 ALA 12 2HB ALA 12 17.423 -16.244 11.532 100 HB3 ALA 12 3HB ALA 12 19.157 -15.887 11.613 101 H LEU 13 H LEU 13 20.620 -17.097 8.678 102 HA LEU 13 HA LEU 13 19.755 -19.944 8.839 103 HB2 LEU 13 1HB LEU 13 22.395 -18.684 8.046 104 HB3 LEU 13 2HB LEU 13 22.038 -20.388 7.984 105 HG LEU 13 HG LEU 13 21.891 -19.918 5.833 106 HD11 LEU 13 1HD1 LEU 13 19.643 -19.746 5.009 107 HD12 LEU 13 2HD1 LEU 13 19.083 -19.012 6.529 108 HD13 LEU 13 3HD1 LEU 13 19.624 -20.713 6.497 109 HD21 LEU 13 1HD2 LEU 13 21.380 -17.841 4.823 110 HD22 LEU 13 2HD2 LEU 13 22.455 -17.548 6.189 111 HD23 LEU 13 3HD2 LEU 13 20.715 -17.209 6.347 112 H TYR 14 H TYR 14 21.388 -17.580 10.687 113 HA TYR 14 HA TYR 14 22.209 -19.607 12.691 114 HB2 TYR 14 1HB TYR 14 23.990 -17.360 11.667 115 HB3 TYR 14 2HB TYR 14 24.368 -18.485 12.976 116 HD1 TYR 14 HD1 TYR 14 24.910 -20.878 12.466 117 HD2 TYR 14 HD2 TYR 14 24.203 -18.015 9.333 118 HE1 TYR 14 HE1 TYR 14 25.924 -22.434 10.807 119 HE2 TYR 14 HE2 TYR 14 25.177 -19.597 7.669 120 HH TYR 14 HH TYR 14 26.513 -22.767 8.638 121 H ASP 15 H ASP 15 22.459 -18.445 14.810 122 HA ASP 15 HA ASP 15 20.572 -16.197 14.971 123 HB2 ASP 15 1HB ASP 15 20.997 -16.367 17.392 124 HB3 ASP 15 2HB ASP 15 20.535 -17.930 16.709 125 H ASN 16 H ASN 16 21.310 -14.261 16.312 126 HA ASN 16 HA ASN 16 24.157 -13.601 15.827 127 HB2 ASN 16 1HB ASN 16 22.708 -12.844 13.853 128 HB3 ASN 16 2HB ASN 16 21.946 -11.719 14.974 129 HD21 ASN 16 1HD2 ASN 16 24.464 -9.363 14.472 130 HD22 ASN 16 2HD2 ASN 16 22.762 -9.723 14.739 131 H VAL 17 H VAL 17 24.995 -12.254 17.298 132 HA VAL 17 HA VAL 17 23.146 -11.190 19.382 133 HB VAL 17 HB VAL 17 26.099 -11.961 19.606 134 HG11 VAL 17 1HG1 VAL 17 25.808 -11.469 22.032 135 HG12 VAL 17 2HG1 VAL 17 25.557 -10.025 21.032 136 HG13 VAL 17 3HG1 VAL 17 24.156 -10.891 21.711 137 HG21 VAL 17 1HG2 VAL 17 25.278 -13.720 21.175 138 HG22 VAL 17 2HG2 VAL 17 23.600 -13.265 20.791 139 HG23 VAL 17 3HG2 VAL 17 24.649 -13.959 19.532 140 H ALA 18 H ALA 18 23.025 -9.067 19.367 141 HA ALA 18 HA ALA 18 24.508 -7.548 17.395 142 HB1 ALA 18 1HB ALA 18 22.157 -7.057 17.834 143 HB2 ALA 18 2HB ALA 18 22.510 -6.740 19.553 144 HB3 ALA 18 3HB ALA 18 23.154 -5.659 18.297 145 H GLU 19 H GLU 19 26.438 -6.703 17.718 146 HA GLU 19 HA GLU 19 27.363 -6.279 20.552 147 HB2 GLU 19 1HB GLU 19 28.905 -6.799 17.985 148 HB3 GLU 19 2HB GLU 19 29.645 -6.448 19.557 149 HG2 GLU 19 1HG GLU 19 28.603 -8.460 20.510 150 HG3 GLU 19 2HG GLU 19 27.836 -8.815 18.960 151 H SER 20 H SER 20 26.756 -4.885 17.418 152 HA SER 20 HA SER 20 27.881 -2.247 18.258 153 HB2 SER 20 1HB SER 20 28.329 -2.858 15.951 154 HB3 SER 20 2HB SER 20 26.640 -3.308 15.686 155 HG SER 20 HG SER 20 27.377 -1.144 14.935 156 HA PRO 21 HA PRO 21 23.832 -1.167 19.671 157 HB2 PRO 21 1HB PRO 21 23.837 1.555 19.326 158 HB3 PRO 21 2HB PRO 21 24.801 0.740 20.605 159 HG2 PRO 21 1HG PRO 21 25.692 1.627 17.857 160 HG3 PRO 21 2HG PRO 21 26.449 1.957 19.446 161 HD2 PRO 21 1HD PRO 21 27.350 0.009 17.897 162 HD3 PRO 21 2HD PRO 21 27.232 -0.206 19.677 163 H ASP 22 H ASP 22 24.969 -0.604 16.442 164 HA ASP 22 HA ASP 22 22.321 0.230 15.448 165 HB2 ASP 22 1HB ASP 22 25.031 -0.234 14.145 166 HB3 ASP 22 2HB ASP 22 23.583 0.223 13.240 167 H GLU 23 H GLU 23 23.752 -2.688 16.321 168 HA GLU 23 HA GLU 23 22.922 -4.132 13.890 169 HB2 GLU 23 1HB GLU 23 25.140 -4.405 15.009 170 HB3 GLU 23 2HB GLU 23 24.314 -5.129 16.387 171 HG2 GLU 23 1HG GLU 23 23.518 -6.951 14.934 172 HG3 GLU 23 2HG GLU 23 24.321 -6.185 13.555 173 H LEU 24 H LEU 24 21.573 -5.981 13.928 174 HA LEU 24 HA LEU 24 19.558 -5.944 16.131 175 HB2 LEU 24 1HB LEU 24 19.538 -7.211 13.385 176 HB3 LEU 24 2HB LEU 24 18.291 -7.483 14.589 177 HG LEU 24 HG LEU 24 18.975 -4.798 13.354 178 HD11 LEU 24 1HD1 LEU 24 16.716 -6.763 12.894 179 HD12 LEU 24 2HD1 LEU 24 17.949 -6.234 11.728 180 HD13 LEU 24 3HD1 LEU 24 16.724 -5.088 12.299 181 HD21 LEU 24 1HD2 LEU 24 18.133 -4.470 15.594 182 HD22 LEU 24 2HD2 LEU 24 16.824 -5.651 15.329 183 HD23 LEU 24 3HD2 LEU 24 16.823 -4.101 14.456 184 H SER 25 H SER 25 19.055 -7.657 17.341 185 HA SER 25 HA SER 25 20.847 -10.033 17.158 186 HB2 SER 25 1HB SER 25 19.839 -10.297 19.587 187 HB3 SER 25 2HB SER 25 21.186 -9.179 19.299 188 HG SER 25 HG SER 25 19.543 -8.160 20.486 189 H PHE 26 H PHE 26 19.923 -11.895 16.707 190 HA PHE 26 HA PHE 26 17.029 -12.352 17.074 191 HB2 PHE 26 1HB PHE 26 16.708 -12.945 14.666 192 HB3 PHE 26 2HB PHE 26 16.928 -11.227 14.978 193 HD1 PHE 26 HD1 PHE 26 18.759 -14.291 13.844 194 HD2 PHE 26 HD2 PHE 26 18.585 -9.994 13.901 195 HE1 PHE 26 HE1 PHE 26 20.579 -14.198 12.153 196 HE2 PHE 26 HE2 PHE 26 20.380 -9.896 12.213 197 HZ PHE 26 HZ PHE 26 21.372 -12.016 11.311 198 H ARG 27 H ARG 27 16.395 -14.565 16.215 199 HA ARG 27 HA ARG 27 18.588 -16.443 16.937 200 HB2 ARG 27 1HB ARG 27 16.186 -16.204 18.046 201 HB3 ARG 27 2HB ARG 27 15.677 -17.159 16.650 202 HG2 ARG 27 1HG ARG 27 16.050 -18.721 18.338 203 HG3 ARG 27 2HG ARG 27 17.501 -18.811 17.330 204 HD2 ARG 27 1HD ARG 27 18.599 -17.181 18.951 205 HD3 ARG 27 2HD ARG 27 17.190 -17.372 20.000 206 HE ARG 27 HE ARG 27 17.785 -19.843 20.035 207 HH11 ARG 27 1HH1 ARG 27 20.310 -17.422 19.523 208 HH12 ARG 27 2HH1 ARG 27 21.574 -18.478 20.084 209 HH21 ARG 27 1HH2 ARG 27 19.455 -21.119 20.794 210 HH22 ARG 27 2HH2 ARG 27 21.090 -20.515 20.804 211 H LYS 28 H LYS 28 18.738 -18.453 15.761 212 HA LYS 28 HA LYS 28 18.709 -18.237 12.904 213 HB2 LYS 28 1HB LYS 28 20.154 -19.793 14.155 214 HB3 LYS 28 2HB LYS 28 18.752 -20.614 14.828 215 HG2 LYS 28 1HG LYS 28 18.184 -21.581 12.714 216 HG3 LYS 28 2HG LYS 28 19.387 -20.589 11.869 217 HD2 LYS 28 1HD LYS 28 21.201 -21.660 13.121 218 HD3 LYS 28 2HD LYS 28 20.037 -22.606 14.062 219 HE2 LYS 28 1HE LYS 28 19.349 -23.819 12.036 220 HE3 LYS 28 2HE LYS 28 20.449 -22.823 11.053 221 HZ1 LYS 28 1HZ LYS 28 21.515 -24.917 11.615 222 HZ2 LYS 28 2HZ LYS 28 21.278 -24.672 13.227 223 HZ3 LYS 28 3HZ LYS 28 22.302 -23.696 12.377 224 H GLY 29 H GLY 29 17.104 -18.484 11.496 225 HA2 GLY 29 1HA GLY 29 15.138 -19.575 10.693 226 HA3 GLY 29 2HA GLY 29 14.629 -19.895 12.356 227 H ASP 30 H ASP 30 15.535 -16.868 12.820 228 HA ASP 30 HA ASP 30 12.846 -15.863 12.755 229 HB2 ASP 30 1HB ASP 30 15.541 -14.529 13.183 230 HB3 ASP 30 2HB ASP 30 14.018 -13.648 13.245 231 H ILE 31 H ILE 31 12.088 -13.943 11.660 232 HA ILE 31 HA ILE 31 13.270 -13.635 8.934 233 HB ILE 31 HB ILE 31 10.342 -13.315 9.780 234 HG12 ILE 31 1HG1 ILE 31 10.902 -15.669 9.716 235 HG13 ILE 31 2HG1 ILE 31 9.915 -15.258 8.314 236 HG21 ILE 31 1HG2 ILE 31 10.791 -11.750 7.992 237 HG22 ILE 31 2HG2 ILE 31 11.733 -12.948 7.076 238 HG23 ILE 31 3HG2 ILE 31 9.967 -13.134 7.247 239 HD11 ILE 31 1HD1 ILE 31 12.799 -16.035 8.448 240 HD12 ILE 31 2HD1 ILE 31 11.496 -16.633 7.395 241 HD13 ILE 31 3HD1 ILE 31 12.228 -15.053 7.075 242 H MET 32 H MET 32 13.934 -11.661 8.403 243 HA MET 32 HA MET 32 12.764 -9.349 9.895 244 HB2 MET 32 1HB MET 32 14.987 -8.242 9.735 245 HB3 MET 32 2HB MET 32 14.969 -9.646 10.784 246 HG2 MET 32 1HG MET 32 15.747 -10.789 8.439 247 HG3 MET 32 2HG MET 32 16.467 -9.189 8.302 248 HE1 MET 32 1HE MET 32 16.370 -12.646 10.087 249 HE2 MET 32 2HE MET 32 17.291 -12.387 11.587 250 HE3 MET 32 3HE MET 32 15.673 -11.680 11.409 251 H THR 33 H THR 33 12.715 -7.417 8.744 252 HA THR 33 HA THR 33 12.265 -7.860 5.836 253 HB THR 33 HB THR 33 11.784 -5.415 7.606 254 HG1 THR 33 HG1 THR 33 10.417 -7.142 8.098 255 HG21 THR 33 1HG2 THR 33 10.317 -4.692 5.713 256 HG22 THR 33 2HG2 THR 33 10.983 -6.019 4.731 257 HG23 THR 33 3HG2 THR 33 12.049 -4.705 5.303 258 H VAL 34 H VAL 34 14.008 -7.615 4.522 259 HA VAL 34 HA VAL 34 16.298 -5.993 5.343 260 HB VAL 34 HB VAL 34 15.695 -7.205 2.630 261 HG11 VAL 34 1HG1 VAL 34 18.297 -6.234 3.879 262 HG12 VAL 34 2HG1 VAL 34 18.171 -7.106 2.329 263 HG13 VAL 34 3HG1 VAL 34 17.441 -5.496 2.509 264 HG21 VAL 34 1HG2 VAL 34 15.695 -8.976 4.249 265 HG22 VAL 34 2HG2 VAL 34 17.239 -9.019 3.389 266 HG23 VAL 34 3HG2 VAL 34 17.168 -8.338 5.023 267 H LEU 35 H LEU 35 16.489 -3.909 5.071 268 HA LEU 35 HA LEU 35 14.486 -2.517 3.389 269 HB2 LEU 35 1HB LEU 35 16.510 -1.543 5.427 270 HB3 LEU 35 2HB LEU 35 15.344 -0.521 4.598 271 HG LEU 35 HG LEU 35 14.598 -2.832 6.425 272 HD11 LEU 35 1HD1 LEU 35 14.790 0.141 6.904 273 HD12 LEU 35 2HD1 LEU 35 15.693 -1.171 7.703 274 HD13 LEU 35 3HD1 LEU 35 13.949 -1.001 7.978 275 HD21 LEU 35 1HD2 LEU 35 12.356 -1.774 6.416 276 HD22 LEU 35 2HD2 LEU 35 12.834 -2.334 4.805 277 HD23 LEU 35 3HD2 LEU 35 12.923 -0.601 5.203 278 H GLU 36 H GLU 36 18.041 -2.662 3.981 279 HA GLU 36 HA GLU 36 18.395 -2.436 1.073 280 HB2 GLU 36 1HB GLU 36 19.799 -0.570 1.022 281 HB3 GLU 36 2HB GLU 36 18.398 -0.060 1.944 282 HG2 GLU 36 1HG GLU 36 19.612 -0.367 3.985 283 HG3 GLU 36 2HG GLU 36 21.043 -0.811 3.046 284 H ARG 37 H ARG 37 20.896 -2.588 0.637 285 HA ARG 37 HA ARG 37 22.117 -4.411 2.668 286 HB2 ARG 37 1HB ARG 37 22.286 -4.572 -0.355 287 HB3 ARG 37 2HB ARG 37 23.116 -5.634 0.790 288 HG2 ARG 37 1HG ARG 37 20.870 -6.412 1.584 289 HG3 ARG 37 2HG ARG 37 20.133 -5.464 0.283 290 HD2 ARG 37 1HD ARG 37 22.192 -7.667 -0.117 291 HD3 ARG 37 2HD ARG 37 20.450 -7.861 -0.330 292 HE ARG 37 HE ARG 37 20.520 -6.528 -2.289 293 HH11 ARG 37 1HH1 ARG 37 23.776 -6.859 -0.936 294 HH12 ARG 37 2HH1 ARG 37 24.535 -6.251 -2.371 295 HH21 ARG 37 1HH2 ARG 37 21.579 -5.778 -4.095 296 HH22 ARG 37 2HH2 ARG 37 23.321 -5.682 -4.127 297 H ASP 38 H ASP 38 24.380 -4.190 2.790 298 HA ASP 38 HA ASP 38 26.350 -3.107 2.793 299 HB2 ASP 38 1HB ASP 38 25.649 -2.284 -0.037 300 HB3 ASP 38 2HB ASP 38 27.267 -2.482 0.655 301 H THR 39 H THR 39 24.191 -1.920 3.910 302 HA THR 39 HA THR 39 23.685 0.802 3.230 303 HB THR 39 HB THR 39 22.145 -0.473 4.621 304 HG1 THR 39 HG1 THR 39 21.918 1.603 5.137 305 HG21 THR 39 1HG2 THR 39 24.381 -0.658 6.610 306 HG22 THR 39 2HG2 THR 39 23.540 -1.980 5.759 307 HG23 THR 39 3HG2 THR 39 22.672 -0.998 6.944 308 H GLN 40 H GLN 40 24.437 2.707 4.110 309 HA GLN 40 HA GLN 40 25.996 4.189 4.836 310 HB2 GLN 40 1HB GLN 40 26.883 2.254 6.953 311 HB3 GLN 40 2HB GLN 40 26.842 4.009 7.006 312 HG2 GLN 40 1HG GLN 40 24.290 3.752 6.835 313 HG3 GLN 40 2HG GLN 40 24.557 2.052 7.214 314 HE21 GLN 40 1HE2 GLN 40 24.815 2.609 10.633 315 HE22 GLN 40 2HE2 GLN 40 24.498 1.519 9.299 316 H GLY 41 H GLY 41 26.862 1.754 3.049 317 HA2 GLY 41 1HA GLY 41 28.829 1.451 1.832 318 HA3 GLY 41 2HA GLY 41 29.675 2.580 2.910 319 H LEU 42 H LEU 42 27.839 0.189 4.582 320 HA LEU 42 HA LEU 42 30.334 -1.121 5.429 321 HB2 LEU 42 1HB LEU 42 27.463 -1.451 6.328 322 HB3 LEU 42 2HB LEU 42 28.878 -2.129 7.119 323 HG LEU 42 HG LEU 42 28.405 0.846 6.852 324 HD11 LEU 42 1HD1 LEU 42 27.595 0.721 9.181 325 HD12 LEU 42 2HD1 LEU 42 27.679 -1.057 9.100 326 HD13 LEU 42 3HD1 LEU 42 26.553 -0.160 8.046 327 HD21 LEU 42 1HD2 LEU 42 29.956 0.929 8.769 328 HD22 LEU 42 2HD2 LEU 42 30.705 0.243 7.314 329 HD23 LEU 42 3HD2 LEU 42 30.188 -0.826 8.642 330 H ASP 43 H ASP 43 30.790 -2.227 3.481 331 HA ASP 43 HA ASP 43 28.969 -3.798 2.008 332 HB2 ASP 43 1HB ASP 43 31.944 -4.019 2.476 333 HB3 ASP 43 2HB ASP 43 31.075 -5.214 1.500 334 H GLY 44 H GLY 44 27.959 -5.662 2.308 335 HA2 GLY 44 1HA GLY 44 27.738 -7.868 3.104 336 HA3 GLY 44 2HA GLY 44 29.075 -7.615 4.229 337 H TRP 45 H TRP 45 27.479 -4.942 5.010 338 HA TRP 45 HA TRP 45 25.831 -6.316 7.054 339 HB2 TRP 45 1HB TRP 45 26.912 -3.540 6.593 340 HB3 TRP 45 2HB TRP 45 25.670 -3.803 7.774 341 HD1 TRP 45 HD1 TRP 45 29.376 -3.935 7.372 342 HE1 TRP 45 HE1 TRP 45 30.544 -4.851 9.437 343 HE3 TRP 45 HE3 TRP 45 25.250 -5.849 9.659 344 HZ2 TRP 45 HZ2 TRP 45 29.749 -6.291 11.797 345 HZ3 TRP 45 HZ3 TRP 45 25.503 -6.987 11.859 346 HH2 TRP 45 HH2 TRP 45 27.731 -7.209 12.903 347 H TRP 46 H TRP 46 23.633 -6.399 6.860 348 HA TRP 46 HA TRP 46 22.417 -4.760 4.657 349 HB2 TRP 46 1HB TRP 46 21.538 -7.424 5.836 350 HB3 TRP 46 2HB TRP 46 20.650 -6.514 4.609 351 HD1 TRP 46 HD1 TRP 46 24.093 -6.082 3.550 352 HE1 TRP 46 HE1 TRP 46 24.894 -7.750 1.834 353 HE3 TRP 46 HE3 TRP 46 20.308 -9.517 4.108 354 HZ2 TRP 46 HZ2 TRP 46 24.043 -10.304 0.845 355 HZ3 TRP 46 HZ3 TRP 46 20.415 -11.609 2.763 356 HH2 TRP 46 HH2 TRP 46 22.245 -11.982 1.130 357 H LEU 47 H LEU 47 20.956 -3.258 5.221 358 HA LEU 47 HA LEU 47 20.288 -2.886 8.049 359 HB2 LEU 47 1HB LEU 47 20.602 -0.976 6.490 360 HB3 LEU 47 2HB LEU 47 19.279 -1.573 5.507 361 HG LEU 47 HG LEU 47 17.698 -1.108 7.293 362 HD11 LEU 47 1HD1 LEU 47 18.433 0.229 9.269 363 HD12 LEU 47 2HD1 LEU 47 20.115 -0.119 8.820 364 HD13 LEU 47 3HD1 LEU 47 19.013 -1.439 9.266 365 HD21 LEU 47 1HD2 LEU 47 18.204 0.636 5.634 366 HD22 LEU 47 2HD2 LEU 47 19.515 1.248 6.665 367 HD23 LEU 47 3HD2 LEU 47 17.823 1.351 7.211 368 H CYS 48 H CYS 48 18.688 -3.958 9.031 369 HA CYS 48 HA CYS 48 16.329 -4.686 7.369 370 HB2 CYS 48 1HB CYS 48 17.546 -6.516 9.469 371 HB3 CYS 48 2HB CYS 48 16.221 -6.867 8.364 372 HG CYS 48 HG CYS 48 19.392 -6.275 7.645 373 H SER 49 H SER 49 14.498 -5.394 8.768 374 HA SER 49 HA SER 49 14.481 -3.898 11.347 375 HB2 SER 49 1HB SER 49 12.792 -2.601 10.683 376 HB3 SER 49 2HB SER 49 13.130 -3.119 9.040 377 HG SER 49 HG SER 49 10.943 -3.451 9.597 378 H LEU 50 H LEU 50 13.802 -5.044 13.013 379 HA LEU 50 HA LEU 50 12.237 -7.549 12.575 380 HB2 LEU 50 1HB LEU 50 14.677 -8.128 12.552 381 HB3 LEU 50 2HB LEU 50 14.857 -7.318 14.107 382 HG LEU 50 HG LEU 50 12.803 -9.179 14.516 383 HD11 LEU 50 1HD1 LEU 50 15.088 -10.478 13.056 384 HD12 LEU 50 2HD1 LEU 50 13.462 -10.207 12.378 385 HD13 LEU 50 3HD1 LEU 50 13.674 -11.273 13.790 386 HD21 LEU 50 1HD2 LEU 50 14.501 -10.288 15.937 387 HD22 LEU 50 2HD2 LEU 50 14.494 -8.526 16.143 388 HD23 LEU 50 3HD2 LEU 50 15.764 -9.303 15.168 389 H HIS 51 H HIS 51 10.694 -7.671 14.109 390 HA HIS 51 HA HIS 51 9.391 -7.139 15.915 391 HB2 HIS 51 1HB HIS 51 12.049 -6.756 17.341 392 HB3 HIS 51 2HB HIS 51 10.478 -7.017 18.105 393 HD1 HIS 51 HD1 HIS 51 12.793 -8.988 18.678 394 HD2 HIS 51 HD2 HIS 51 9.982 -9.521 15.654 395 HE1 HIS 51 HE1 HIS 51 12.735 -11.465 18.148 396 H GLY 52 H GLY 52 10.179 -4.903 14.119 397 HA2 GLY 52 1HA GLY 52 9.545 -2.670 14.090 398 HA3 GLY 52 2HA GLY 52 9.226 -2.753 15.825 399 H ARG 53 H ARG 53 12.362 -3.901 15.160 400 HA ARG 53 HA ARG 53 13.515 -1.235 15.881 401 HB2 ARG 53 1HB ARG 53 13.625 -3.518 17.351 402 HB3 ARG 53 2HB ARG 53 14.989 -3.821 16.290 403 HG2 ARG 53 1HG ARG 53 14.724 -1.265 17.912 404 HG3 ARG 53 2HG ARG 53 15.449 -2.741 18.556 405 HD2 ARG 53 1HD ARG 53 17.004 -2.689 16.508 406 HD3 ARG 53 2HD ARG 53 16.465 -1.015 16.295 407 HE ARG 53 HE ARG 53 17.248 -1.369 18.994 408 HH11 ARG 53 1HH1 ARG 53 18.812 -1.247 15.802 409 HH12 ARG 53 2HH1 ARG 53 20.343 -0.772 16.511 410 HH21 ARG 53 1HH2 ARG 53 19.227 -0.727 19.755 411 HH22 ARG 53 2HH2 ARG 53 20.563 -0.470 18.650 412 H GLN 54 H GLN 54 15.109 -0.509 14.521 413 HA GLN 54 HA GLN 54 15.604 -2.151 12.087 414 HB2 GLN 54 1HB GLN 54 15.056 0.643 12.587 415 HB3 GLN 54 2HB GLN 54 16.622 0.470 11.779 416 HG2 GLN 54 1HG GLN 54 15.586 -0.829 10.020 417 HG3 GLN 54 2HG GLN 54 14.018 -0.734 10.842 418 HE21 GLN 54 1HE2 GLN 54 15.524 2.683 9.098 419 HE22 GLN 54 2HE2 GLN 54 16.621 1.502 9.770 420 H GLY 55 H GLY 55 17.736 -2.508 11.363 421 HA2 GLY 55 1HA GLY 55 20.004 -1.230 12.458 422 HA3 GLY 55 2HA GLY 55 19.721 -2.691 13.408 423 H ILE 56 H ILE 56 22.077 -2.532 12.137 424 HA ILE 56 HA ILE 56 21.862 -3.769 9.475 425 HB ILE 56 HB ILE 56 24.337 -3.714 9.440 426 HG12 ILE 56 1HG1 ILE 56 24.057 -2.725 12.332 427 HG13 ILE 56 2HG1 ILE 56 24.681 -4.298 11.848 428 HG21 ILE 56 1HG2 ILE 56 24.585 -1.329 9.415 429 HG22 ILE 56 2HG2 ILE 56 22.877 -1.627 9.035 430 HG23 ILE 56 3HG2 ILE 56 23.341 -1.087 10.665 431 HD11 ILE 56 1HD1 ILE 56 26.508 -3.022 10.591 432 HD12 ILE 56 2HD1 ILE 56 25.936 -1.569 11.445 433 HD13 ILE 56 3HD1 ILE 56 26.560 -2.954 12.364 434 H VAL 57 H VAL 57 22.767 -5.784 8.943 435 HA VAL 57 HA VAL 57 23.002 -7.772 11.160 436 HB VAL 57 HB VAL 57 21.267 -8.046 8.692 437 HG11 VAL 57 1HG1 VAL 57 20.525 -10.173 9.724 438 HG12 VAL 57 2HG1 VAL 57 22.173 -10.147 9.072 439 HG13 VAL 57 3HG1 VAL 57 21.904 -10.000 10.819 440 HG21 VAL 57 1HG2 VAL 57 20.124 -6.642 10.279 441 HG22 VAL 57 2HG2 VAL 57 19.371 -8.249 10.316 442 HG23 VAL 57 3HG2 VAL 57 20.515 -7.769 11.594 443 HA PRO 58 HA PRO 58 26.258 -8.876 8.309 444 HB2 PRO 58 1HB PRO 58 26.914 -11.384 9.207 445 HB3 PRO 58 2HB PRO 58 27.351 -9.896 10.093 446 HG2 PRO 58 1HG PRO 58 25.045 -11.745 10.551 447 HG3 PRO 58 2HG PRO 58 26.213 -11.077 11.733 448 HD2 PRO 58 1HD PRO 58 23.751 -10.008 11.336 449 HD3 PRO 58 2HD PRO 58 25.162 -8.997 11.739 450 H GLY 59 H GLY 59 25.691 -9.265 6.249 451 HA2 GLY 59 1HA GLY 59 23.352 -10.670 5.523 452 HA3 GLY 59 2HA GLY 59 24.643 -10.173 4.428 453 H ASN 60 H ASN 60 26.594 -11.905 6.025 454 HA ASN 60 HA ASN 60 26.125 -14.294 4.436 455 HB2 ASN 60 1HB ASN 60 28.257 -15.069 5.250 456 HB3 ASN 60 2HB ASN 60 28.393 -13.372 4.774 457 HD21 ASN 60 1HD2 ASN 60 30.220 -13.699 7.920 458 HD22 ASN 60 2HD2 ASN 60 30.332 -14.317 6.283 459 H ARG 61 H ARG 61 24.817 -13.356 7.383 460 HA ARG 61 HA ARG 61 24.417 -16.232 8.133 461 HB2 ARG 61 1HB ARG 61 23.966 -13.700 9.761 462 HB3 ARG 61 2HB ARG 61 23.602 -15.344 10.299 463 HG2 ARG 61 1HG ARG 61 26.033 -15.904 10.010 464 HG3 ARG 61 2HG ARG 61 26.339 -14.177 9.726 465 HD2 ARG 61 1HD ARG 61 25.359 -13.645 11.922 466 HD3 ARG 61 2HD ARG 61 25.018 -15.364 12.180 467 HE ARG 61 HE ARG 61 27.814 -14.967 11.613 468 HH11 ARG 61 1HH1 ARG 61 25.477 -14.619 14.254 469 HH12 ARG 61 2HH1 ARG 61 26.722 -14.737 15.467 470 HH21 ARG 61 1HH2 ARG 61 29.299 -15.148 13.203 471 HH22 ARG 61 2HH2 ARG 61 28.847 -15.027 14.892 472 H LEU 62 H LEU 62 23.141 -14.044 6.137 473 HA LEU 62 HA LEU 62 20.327 -14.708 6.888 474 HB2 LEU 62 1HB LEU 62 21.624 -12.211 5.920 475 HB3 LEU 62 2HB LEU 62 20.071 -12.614 5.210 476 HG LEU 62 HG LEU 62 20.614 -12.215 8.145 477 HD11 LEU 62 1HD1 LEU 62 19.082 -10.595 6.088 478 HD12 LEU 62 2HD1 LEU 62 20.674 -10.179 6.779 479 HD13 LEU 62 3HD1 LEU 62 19.240 -10.207 7.823 480 HD21 LEU 62 1HD2 LEU 62 18.059 -12.197 8.259 481 HD22 LEU 62 2HD2 LEU 62 18.855 -13.759 8.128 482 HD23 LEU 62 3HD2 LEU 62 18.101 -13.032 6.696 483 H LYS 63 H LYS 63 18.854 -15.072 5.313 484 HA LYS 63 HA LYS 63 19.937 -15.534 2.561 485 HB2 LYS 63 1HB LYS 63 19.685 -17.724 3.611 486 HB3 LYS 63 2HB LYS 63 18.073 -17.299 4.184 487 HG2 LYS 63 1HG LYS 63 17.211 -17.309 1.900 488 HG3 LYS 63 2HG LYS 63 18.843 -17.563 1.251 489 HD2 LYS 63 1HD LYS 63 17.667 -19.676 1.252 490 HD3 LYS 63 2HD LYS 63 18.956 -19.734 2.465 491 HE2 LYS 63 1HE LYS 63 17.264 -19.228 4.244 492 HE3 LYS 63 2HE LYS 63 15.989 -19.268 3.003 493 HZ1 LYS 63 1HZ LYS 63 16.412 -21.538 2.607 494 HZ2 LYS 63 2HZ LYS 63 16.318 -21.374 4.246 495 HZ3 LYS 63 3HZ LYS 63 17.791 -21.552 3.523 496 H ILE 64 H ILE 64 18.937 -14.288 1.184 497 HA ILE 64 HA ILE 64 16.529 -12.847 1.854 498 HB ILE 64 HB ILE 64 17.860 -13.331 -0.859 499 HG12 ILE 64 1HG1 ILE 64 19.415 -12.247 0.722 500 HG13 ILE 64 2HG1 ILE 64 18.942 -11.178 -0.587 501 HG21 ILE 64 1HG2 ILE 64 16.702 -11.149 -1.436 502 HG22 ILE 64 2HG2 ILE 64 15.624 -12.545 -1.215 503 HG23 ILE 64 3HG2 ILE 64 15.786 -11.340 0.074 504 HD11 ILE 64 1HD1 ILE 64 17.307 -10.037 0.964 505 HD12 ILE 64 2HD1 ILE 64 17.949 -11.049 2.282 506 HD13 ILE 64 3HD1 ILE 64 18.998 -9.887 1.448 507 H LEU 65 H LEU 65 14.455 -13.502 1.638 508 HA LEU 65 HA LEU 65 14.005 -16.167 0.415 509 HB2 LEU 65 1HB LEU 65 12.139 -14.356 1.991 510 HB3 LEU 65 2HB LEU 65 11.803 -16.015 1.483 511 HG LEU 65 HG LEU 65 13.936 -15.152 3.465 512 HD11 LEU 65 1HD1 LEU 65 11.279 -16.573 3.828 513 HD12 LEU 65 2HD1 LEU 65 11.649 -14.889 4.283 514 HD13 LEU 65 3HD1 LEU 65 12.472 -16.225 5.101 515 HD21 LEU 65 1HD2 LEU 65 13.098 -17.917 2.507 516 HD22 LEU 65 2HD2 LEU 65 14.098 -17.610 3.942 517 HD23 LEU 65 3HD2 LEU 65 14.696 -17.152 2.339 518 H VAL 66 H VAL 66 14.141 -15.701 -1.779 519 HA VAL 66 HA VAL 66 12.347 -13.662 -2.924 520 HB VAL 66 HB VAL 66 13.694 -15.791 -4.594 521 HG11 VAL 66 1HG1 VAL 66 13.275 -12.786 -4.961 522 HG12 VAL 66 2HG1 VAL 66 14.014 -13.881 -6.152 523 HG13 VAL 66 3HG1 VAL 66 12.307 -14.080 -5.707 524 HG21 VAL 66 1HG2 VAL 66 15.152 -13.480 -3.226 525 HG22 VAL 66 2HG2 VAL 66 15.519 -15.219 -3.082 526 HG23 VAL 66 3HG2 VAL 66 15.803 -14.379 -4.614 527 H GLY 67 H GLY 67 11.865 -16.605 -1.551 528 HA2 GLY 67 1HA GLY 67 9.929 -17.884 -1.517 529 HA3 GLY 67 2HA GLY 67 9.321 -16.984 -2.916 530 H MET 68 H MET 68 10.507 -17.463 -5.036 531 HA MET 68 HA MET 68 10.391 -20.336 -5.445 532 HB2 MET 68 1HB MET 68 9.762 -18.544 -7.137 533 HB3 MET 68 2HB MET 68 11.492 -18.242 -7.354 534 HG2 MET 68 1HG MET 68 11.797 -20.599 -8.064 535 HG3 MET 68 2HG MET 68 10.065 -20.882 -7.824 536 HE1 MET 68 1HE MET 68 12.842 -19.676 -10.155 537 HE2 MET 68 2HE MET 68 12.030 -18.588 -11.300 538 HE3 MET 68 3HE MET 68 12.311 -18.062 -9.626 539 H TYR 69 H TYR 69 12.963 -17.955 -4.986 540 HA TYR 69 HA TYR 69 14.999 -20.088 -5.371 541 HB2 TYR 69 1HB TYR 69 15.322 -17.102 -4.949 542 HB3 TYR 69 2HB TYR 69 16.641 -18.251 -5.130 543 HD1 TYR 69 HD1 TYR 69 14.047 -16.324 -6.889 544 HD2 TYR 69 HD2 TYR 69 17.049 -19.376 -7.321 545 HE1 TYR 69 HE1 TYR 69 13.985 -16.041 -9.369 546 HE2 TYR 69 HE2 TYR 69 16.968 -19.095 -9.801 547 HH TYR 69 HH TYR 69 14.844 -16.715 -11.386 548 H ASP 70 H ASP 70 14.971 -21.330 -3.626 549 HA ASP 70 HA ASP 70 15.938 -20.136 -1.110 550 HB2 ASP 70 1HB ASP 70 13.302 -20.418 -1.117 551 HB3 ASP 70 2HB ASP 70 13.665 -22.147 -0.972 552 H LYS 71 H LYS 71 16.511 -22.248 0.300 553 HA LYS 71 HA LYS 71 17.188 -24.560 -1.414 554 HB2 LYS 71 1HB LYS 71 19.127 -22.974 -1.600 555 HB3 LYS 71 2HB LYS 71 19.314 -23.054 0.158 556 HG2 LYS 71 1HG LYS 71 19.696 -25.493 -0.017 557 HG3 LYS 71 2HG LYS 71 19.563 -25.385 -1.780 558 HD2 LYS 71 1HD LYS 71 21.503 -23.868 -1.834 559 HD3 LYS 71 2HD LYS 71 21.633 -23.960 -0.065 560 HE2 LYS 71 1HE LYS 71 21.872 -26.323 -1.983 561 HE3 LYS 71 2HE LYS 71 23.237 -25.479 -1.229 562 HZ1 LYS 71 1HZ LYS 71 22.605 -27.517 -0.029 563 HZ2 LYS 71 2HZ LYS 71 21.109 -26.896 0.290 564 HZ3 LYS 71 3HZ LYS 71 22.450 -26.185 0.930 565 H LYS 72 H LYS 72 16.984 -26.392 -0.293 566 HA LYS 72 HA LYS 72 15.966 -26.368 2.387 567 HB2 LYS 72 1HB LYS 72 17.148 -28.629 0.722 568 HB3 LYS 72 2HB LYS 72 16.260 -28.851 2.231 569 HG2 LYS 72 1HG LYS 72 14.223 -27.913 1.194 570 HG3 LYS 72 2HG LYS 72 15.116 -27.605 -0.301 571 HD2 LYS 72 1HD LYS 72 13.939 -29.614 -0.715 572 HD3 LYS 72 2HD LYS 72 15.606 -30.108 -0.399 573 HE2 LYS 72 1HE LYS 72 14.210 -31.652 0.773 574 HE3 LYS 72 2HE LYS 72 14.898 -30.583 2.011 575 HZ1 LYS 72 1HZ LYS 72 12.802 -29.343 1.993 576 HZ2 LYS 72 2HZ LYS 72 12.526 -30.930 2.342 577 HZ3 LYS 72 3HZ LYS 72 12.175 -30.342 0.840 578 HA PRO 73 HA PRO 73 19.850 -26.459 4.593 579 HB2 PRO 73 1HB PRO 73 19.125 -27.582 6.961 580 HB3 PRO 73 2HB PRO 73 18.523 -25.962 6.480 581 HG2 PRO 73 1HG PRO 73 17.185 -28.643 6.184 582 HG3 PRO 73 2HG PRO 73 16.545 -27.145 6.934 583 HD2 PRO 73 1HD PRO 73 15.971 -27.823 4.378 584 HD3 PRO 73 2HD PRO 73 16.219 -26.111 4.860 585 H ALA 74 H ALA 74 21.174 -28.220 5.964 586 HA ALA 74 HA ALA 74 21.742 -30.361 4.203 587 HB1 ALA 74 1HB ALA 74 23.385 -29.434 5.789 588 HB2 ALA 74 2HB ALA 74 22.438 -30.059 7.164 589 HB3 ALA 74 3HB ALA 74 23.202 -31.187 6.020 590 H GLY 75 H GLY 75 19.493 -30.249 6.946 591 HA2 GLY 75 1HA GLY 75 17.752 -31.743 7.349 592 HA3 GLY 75 2HA GLY 75 18.327 -32.728 6.000 593 H SER 76 H SER 76 19.988 -31.762 9.033 594 HA SER 76 HA SER 76 21.126 -34.327 9.481 595 HB2 SER 76 1HB SER 76 21.974 -32.293 10.580 596 HB3 SER 76 2HB SER 76 20.438 -32.111 11.457 597 HG SER 76 HG SER 76 22.141 -33.156 12.670 598 H GLY 77 H GLY 77 20.412 -36.128 10.529 599 HA2 GLY 77 1HA GLY 77 17.528 -36.225 11.142 600 HA3 GLY 77 2HA GLY 77 18.619 -37.600 10.936 601 H GLY 78 H GLY 78 19.525 -34.929 13.035 602 HA2 GLY 78 1HA GLY 78 19.824 -36.752 15.249 603 HA3 GLY 78 2HA GLY 78 20.030 -34.991 15.302 604 H SER 79 H SER 79 18.391 -37.318 16.770 605 HA SER 79 HA SER 79 15.647 -36.429 16.593 606 HB2 SER 79 1HB SER 79 16.401 -38.722 17.289 607 HB3 SER 79 2HB SER 79 17.014 -38.022 18.802 608 HG SER 79 HG SER 79 14.903 -38.865 19.033 609 H GLY 80 H GLY 80 18.438 -35.387 18.417 610 HA2 GLY 80 1HA GLY 80 17.065 -33.075 19.422 611 HA3 GLY 80 2HA GLY 80 17.347 -34.268 20.715 612 H SER 81 H SER 81 18.744 -32.149 21.272 613 HA SER 81 HA SER 81 21.243 -31.850 19.863 614 HB2 SER 81 1HB SER 81 21.892 -30.618 21.964 615 HB3 SER 81 2HB SER 81 20.362 -30.053 21.255 616 HG SER 81 HG SER 81 20.476 -32.043 23.283 617 H GLY 82 H GLY 82 23.215 -32.821 20.218 618 HA2 GLY 82 1HA GLY 82 23.708 -34.406 22.616 619 HA3 GLY 82 2HA GLY 82 23.437 -35.392 21.166 620 H LEU 83 H LEU 83 25.333 -32.624 22.380 621 HA LEU 83 HA LEU 83 27.413 -31.815 21.862 622 HB2 LEU 83 1HB LEU 83 28.046 -34.699 21.158 623 HB3 LEU 83 2HB LEU 83 29.217 -33.426 21.477 624 HG LEU 83 HG LEU 83 27.241 -34.500 23.522 625 HD11 LEU 83 1HD1 LEU 83 30.208 -35.074 23.160 626 HD12 LEU 83 2HD1 LEU 83 28.874 -36.205 22.835 627 HD13 LEU 83 3HD1 LEU 83 29.180 -35.651 24.495 628 HD21 LEU 83 1HD2 LEU 83 29.647 -32.653 23.810 629 HD22 LEU 83 2HD2 LEU 83 28.716 -33.341 25.159 630 HD23 LEU 83 3HD2 LEU 83 27.940 -32.204 24.041 631 H THR 84 H THR 84 25.610 -31.313 19.987 632 HA THR 84 HA THR 84 27.035 -31.656 17.380 633 HB THR 84 HB THR 84 24.687 -31.312 16.395 634 HG1 THR 84 HG1 THR 84 23.833 -30.512 18.427 635 HG21 THR 84 1HG2 THR 84 25.008 -33.785 18.135 636 HG22 THR 84 2HG2 THR 84 25.711 -33.572 16.518 637 HG23 THR 84 3HG2 THR 84 23.942 -33.615 16.727 638 H ASP 85 H ASP 85 27.632 -29.733 16.475 639 HA ASP 85 HA ASP 85 26.222 -27.252 17.340 640 HB2 ASP 85 1HB ASP 85 29.112 -27.990 17.650 641 HB3 ASP 85 2HB ASP 85 28.738 -26.333 17.149 642 H GLU 86 H GLU 86 26.300 -25.552 15.881 643 HA GLU 86 HA GLU 86 27.522 -26.102 13.205 644 HB2 GLU 86 1HB GLU 86 24.739 -25.095 13.853 645 HB3 GLU 86 2HB GLU 86 25.555 -24.633 12.357 646 HG2 GLU 86 1HG GLU 86 25.772 -26.993 11.717 647 HG3 GLU 86 2HG GLU 86 24.951 -27.474 13.209 648 H LEU 87 H LEU 87 29.280 -24.797 13.533 649 HA LEU 87 HA LEU 87 29.124 -22.311 14.964 650 HB2 LEU 87 1HB LEU 87 31.208 -23.345 13.012 651 HB3 LEU 87 2HB LEU 87 31.398 -21.900 14.001 652 HG LEU 87 HG LEU 87 31.058 -24.714 15.101 653 HD11 LEU 87 1HD1 LEU 87 33.462 -24.567 15.625 654 HD12 LEU 87 2HD1 LEU 87 33.545 -22.974 14.837 655 HD13 LEU 87 3HD1 LEU 87 33.179 -24.426 13.877 656 HD21 LEU 87 1HD2 LEU 87 31.846 -23.684 17.237 657 HD22 LEU 87 2HD2 LEU 87 30.278 -23.051 16.714 658 HD23 LEU 87 3HD2 LEU 87 31.752 -22.080 16.472 659 H ALA 88 H ALA 88 28.679 -20.318 14.337 660 HA ALA 88 HA ALA 88 27.582 -19.915 11.673 661 HB1 ALA 88 1HB ALA 88 26.548 -18.957 13.740 662 HB2 ALA 88 2HB ALA 88 27.996 -17.948 13.968 663 HB3 ALA 88 3HB ALA 88 26.955 -17.707 12.545 664 HA PRO 89 HA PRO 89 31.307 -18.186 10.062 665 HB2 PRO 89 1HB PRO 89 30.444 -16.463 8.130 666 HB3 PRO 89 2HB PRO 89 30.336 -18.241 7.952 667 HG2 PRO 89 1HG PRO 89 28.220 -16.291 8.854 668 HG3 PRO 89 2HG PRO 89 28.108 -17.567 7.602 669 HD2 PRO 89 1HD PRO 89 27.208 -17.957 10.122 670 HD3 PRO 89 2HD PRO 89 27.992 -19.278 9.191 671 HA PRO 90 HA PRO 90 31.775 -14.496 12.335 672 HB2 PRO 90 1HB PRO 90 33.917 -13.225 11.210 673 HB3 PRO 90 2HB PRO 90 34.077 -14.774 12.100 674 HG2 PRO 90 1HG PRO 90 33.884 -14.303 9.137 675 HG3 PRO 90 2HG PRO 90 35.048 -15.316 10.045 676 HD2 PRO 90 1HD PRO 90 32.837 -16.340 8.823 677 HD3 PRO 90 2HD PRO 90 33.479 -17.033 10.347 678 H LYS 91 H LYS 91 31.166 -12.305 12.389 679 HA LYS 91 HA LYS 91 29.643 -11.357 10.092 680 HB2 LYS 91 1HB LYS 91 29.234 -9.369 11.544 681 HB3 LYS 91 2HB LYS 91 28.800 -10.895 12.315 682 HG2 LYS 91 1HG LYS 91 30.879 -10.840 13.647 683 HG3 LYS 91 2HG LYS 91 31.362 -9.345 12.836 684 HD2 LYS 91 1HD LYS 91 30.465 -8.788 15.005 685 HD3 LYS 91 2HD LYS 91 29.328 -8.225 13.776 686 HE2 LYS 91 1HE LYS 91 27.871 -10.179 14.197 687 HE3 LYS 91 2HE LYS 91 29.060 -10.821 15.358 688 HZ1 LYS 91 1HZ LYS 91 28.717 -8.831 16.694 689 HZ2 LYS 91 2HZ LYS 91 27.294 -9.654 16.497 690 HZ3 LYS 91 3HZ LYS 91 27.556 -8.278 15.630 691 HA PRO 92 HA PRO 92 33.050 -9.122 8.363 692 HB2 PRO 92 1HB PRO 92 31.821 -6.974 7.156 693 HB3 PRO 92 2HB PRO 92 31.742 -8.641 6.506 694 HG2 PRO 92 1HG PRO 92 29.747 -7.156 8.128 695 HG3 PRO 92 2HG PRO 92 29.506 -8.160 6.682 696 HD2 PRO 92 1HD PRO 92 29.047 -9.035 9.217 697 HD3 PRO 92 2HD PRO 92 29.595 -10.128 7.902 698 HA PRO 93 HA PRO 93 34.028 -6.211 11.464 699 HB2 PRO 93 1HB PRO 93 35.885 -4.554 10.367 700 HB3 PRO 93 2HB PRO 93 36.206 -6.302 10.608 701 HG2 PRO 93 1HG PRO 93 35.251 -4.878 8.139 702 HG3 PRO 93 2HG PRO 93 36.646 -5.989 8.330 703 HD2 PRO 93 1HD PRO 93 34.260 -6.860 7.418 704 HD3 PRO 93 2HD PRO 93 35.261 -7.880 8.513 705 H LEU 94 H LEU 94 34.265 -3.790 12.000 706 HA LEU 94 HA LEU 94 32.419 -2.115 10.384 707 HB2 LEU 94 1HB LEU 94 32.309 -2.762 13.343 708 HB3 LEU 94 2HB LEU 94 31.709 -1.221 12.746 709 HG LEU 94 HG LEU 94 30.645 -3.952 11.963 710 HD11 LEU 94 1HD1 LEU 94 28.694 -3.273 13.204 711 HD12 LEU 94 2HD1 LEU 94 29.429 -1.684 13.543 712 HD13 LEU 94 3HD1 LEU 94 30.125 -3.165 14.252 713 HD21 LEU 94 1HD2 LEU 94 28.827 -2.656 10.871 714 HD22 LEU 94 2HD2 LEU 94 30.389 -2.409 10.090 715 HD23 LEU 94 3HD2 LEU 94 29.727 -1.158 11.170 716 HA PRO 95 HA PRO 95 35.586 0.926 11.097 717 HB2 PRO 95 1HB PRO 95 34.230 3.230 10.684 718 HB3 PRO 95 2HB PRO 95 34.405 2.028 9.369 719 HG2 PRO 95 1HG PRO 95 32.110 2.417 11.274 720 HG3 PRO 95 2HG PRO 95 32.086 2.356 9.483 721 HD2 PRO 95 1HD PRO 95 31.545 0.165 11.004 722 HD3 PRO 95 2HD PRO 95 32.409 0.037 9.443 723 H GLU 96 H GLU 96 35.933 3.081 12.314 724 HA GLU 96 HA GLU 96 35.330 2.703 15.134 725 HB2 GLU 96 1HB GLU 96 36.757 4.907 13.598 726 HB3 GLU 96 2HB GLU 96 36.736 4.765 15.361 727 HG2 GLU 96 1HG GLU 96 37.789 2.483 13.679 728 HG3 GLU 96 2HG GLU 96 38.789 3.910 13.970 729 H GLY 97 H GLY 97 32.954 3.225 13.493 730 HA2 GLY 97 1HA GLY 97 30.993 4.374 14.199 731 HA3 GLY 97 2HA GLY 97 31.991 5.648 14.903 732 H GLU 98 H GLU 98 30.188 6.855 13.711 733 HA GLU 98 HA GLU 98 30.280 7.038 10.839 734 HB2 GLU 98 1HB GLU 98 28.330 7.710 12.265 735 HB3 GLU 98 2HB GLU 98 29.287 9.060 12.886 736 HG2 GLU 98 1HG GLU 98 29.451 9.992 10.585 737 HG3 GLU 98 2HG GLU 98 28.478 8.640 9.978 738 H VAL 99 H VAL 99 31.605 8.177 9.551 739 HA VAL 99 HA VAL 99 33.237 10.353 10.720 740 HB VAL 99 HB VAL 99 34.678 8.408 10.793 741 HG11 VAL 99 1HG1 VAL 99 34.056 7.973 7.817 742 HG12 VAL 99 2HG1 VAL 99 35.310 7.111 8.726 743 HG13 VAL 99 3HG1 VAL 99 33.616 6.902 9.163 744 HG21 VAL 99 1HG2 VAL 99 35.511 10.151 8.397 745 HG22 VAL 99 2HG2 VAL 99 35.712 10.583 10.109 746 HG23 VAL 99 3HG2 VAL 99 36.580 9.199 9.442 747 HXT VAL 99 H02 VAL 99 32.526 12.079 8.025 Start of MODEL 4 1 H2 GLY 1 2H0 GLY 1 2.192 5.112 3.565 2 H GLY 1 1H0 GLY 1 3.060 3.887 4.210 3 HA2 GLY 1 1HA GLY 1 3.845 6.749 4.266 4 HA3 GLY 1 2HA GLY 1 4.780 5.423 4.999 5 H SER 2 H SER 2 5.684 7.344 3.118 6 HA SER 2 HA SER 2 5.766 6.243 0.468 7 HB2 SER 2 1HB SER 2 7.751 8.112 1.816 8 HB3 SER 2 2HB SER 2 7.518 7.888 0.068 9 HG SER 2 HG SER 2 6.392 9.721 0.828 10 H MET 3 H MET 3 6.736 4.397 -0.123 11 HA MET 3 HA MET 3 8.681 3.089 1.553 12 HB2 MET 3 1HB MET 3 7.908 2.594 -1.346 13 HB3 MET 3 2HB MET 3 8.880 1.507 -0.348 14 HG2 MET 3 1HG MET 3 6.966 1.230 1.197 15 HG3 MET 3 2HG MET 3 5.990 2.291 0.163 16 HE1 MET 3 1HE MET 3 4.081 0.557 -0.256 17 HE2 MET 3 2HE MET 3 4.362 -1.141 -0.716 18 HE3 MET 3 3HE MET 3 4.882 -0.556 0.882 19 H LYS 4 H LYS 4 10.845 3.123 1.505 20 HA LYS 4 HA LYS 4 12.225 4.462 -0.770 21 HB2 LYS 4 1HB LYS 4 12.181 5.193 2.119 22 HB3 LYS 4 2HB LYS 4 13.771 5.206 1.364 23 HG2 LYS 4 1HG LYS 4 11.389 6.724 0.262 24 HG3 LYS 4 2HG LYS 4 12.604 7.417 1.357 25 HD2 LYS 4 1HD LYS 4 14.389 6.823 -0.281 26 HD3 LYS 4 2HD LYS 4 13.139 6.249 -1.402 27 HE2 LYS 4 1HE LYS 4 12.121 8.496 -1.427 28 HE3 LYS 4 2HE LYS 4 13.395 9.076 -0.328 29 HZ1 LYS 4 1HZ LYS 4 15.032 8.486 -2.012 30 HZ2 LYS 4 2HZ LYS 4 13.935 9.549 -2.640 31 HZ3 LYS 4 3HZ LYS 4 13.851 7.947 -3.033 32 H TYR 5 H TYR 5 11.756 1.647 0.480 33 HA TYR 5 HA TYR 5 14.612 0.825 0.490 34 HB2 TYR 5 1HB TYR 5 12.463 0.270 2.553 35 HB3 TYR 5 2HB TYR 5 13.923 -0.701 2.405 36 HD1 TYR 5 HD1 TYR 5 12.563 1.923 4.231 37 HD2 TYR 5 HD2 TYR 5 16.185 0.883 2.145 38 HE1 TYR 5 HE1 TYR 5 13.855 3.519 5.650 39 HE2 TYR 5 HE2 TYR 5 17.459 2.476 3.556 40 HH TYR 5 HH TYR 5 15.899 4.424 6.115 41 H LEU 6 H LEU 6 14.846 -1.557 0.468 42 HA LEU 6 HA LEU 6 13.504 -2.633 -1.832 43 HB2 LEU 6 1HB LEU 6 15.076 -4.073 0.330 44 HB3 LEU 6 2HB LEU 6 14.712 -4.689 -1.270 45 HG LEU 6 HG LEU 6 16.549 -2.364 -0.693 46 HD11 LEU 6 1HD1 LEU 6 18.353 -3.956 -1.242 47 HD12 LEU 6 2HD1 LEU 6 17.152 -5.256 -1.448 48 HD13 LEU 6 3HD1 LEU 6 17.410 -4.519 0.151 49 HD21 LEU 6 1HD2 LEU 6 15.557 -2.179 -2.918 50 HD22 LEU 6 2HD2 LEU 6 15.992 -3.868 -3.271 51 HD23 LEU 6 3HD2 LEU 6 17.264 -2.645 -3.034 52 H ASN 7 H ASN 7 13.113 -3.160 1.654 53 HA ASN 7 HA ASN 7 11.587 -4.278 2.912 54 HB2 ASN 7 1HB ASN 7 9.739 -3.495 0.645 55 HB3 ASN 7 2HB ASN 7 9.225 -4.028 2.253 56 HD21 ASN 7 1HD2 ASN 7 9.908 -0.219 1.673 57 HD22 ASN 7 2HD2 ASN 7 9.596 -1.398 0.423 58 H VAL 8 H VAL 8 13.080 -6.165 1.737 59 HA VAL 8 HA VAL 8 11.140 -8.187 0.696 60 HB VAL 8 HB VAL 8 12.782 -9.047 -0.646 61 HG11 VAL 8 1HG1 VAL 8 14.416 -7.468 -1.461 62 HG12 VAL 8 2HG1 VAL 8 12.938 -6.576 -1.060 63 HG13 VAL 8 3HG1 VAL 8 14.339 -6.530 0.049 64 HG21 VAL 8 1HG2 VAL 8 14.721 -8.599 1.617 65 HG22 VAL 8 2HG2 VAL 8 14.093 -10.129 0.993 66 HG23 VAL 8 3HG2 VAL 8 15.229 -9.173 0.025 67 H LEU 9 H LEU 9 11.438 -10.410 1.647 68 HA LEU 9 HA LEU 9 12.075 -10.131 4.546 69 HB2 LEU 9 1HB LEU 9 10.651 -12.342 3.033 70 HB3 LEU 9 2HB LEU 9 10.898 -12.287 4.774 71 HG LEU 9 HG LEU 9 9.214 -10.342 3.155 72 HD11 LEU 9 1HD1 LEU 9 8.431 -12.548 5.103 73 HD12 LEU 9 2HD1 LEU 9 8.254 -12.607 3.330 74 HD13 LEU 9 3HD1 LEU 9 7.321 -11.431 4.278 75 HD21 LEU 9 1HD2 LEU 9 10.133 -9.191 5.100 76 HD22 LEU 9 2HD2 LEU 9 9.672 -10.538 6.161 77 HD23 LEU 9 3HD2 LEU 9 8.422 -9.544 5.384 78 H ALA 10 H ALA 10 13.611 -11.392 5.574 79 HA ALA 10 HA ALA 10 15.077 -13.366 3.878 80 HB1 ALA 10 1HB ALA 10 16.338 -11.249 3.823 81 HB2 ALA 10 2HB ALA 10 16.380 -11.223 5.602 82 HB3 ALA 10 3HB ALA 10 17.217 -12.513 4.701 83 H LYS 11 H LYS 11 15.849 -15.144 5.001 84 HA LYS 11 HA LYS 11 14.884 -15.353 7.824 85 HB2 LYS 11 1HB LYS 11 13.988 -17.043 6.358 86 HB3 LYS 11 2HB LYS 11 15.589 -17.470 5.756 87 HG2 LYS 11 1HG LYS 11 16.209 -18.515 7.777 88 HG3 LYS 11 2HG LYS 11 14.931 -17.715 8.700 89 HD2 LYS 11 1HD LYS 11 14.310 -19.722 6.525 90 HD3 LYS 11 2HD LYS 11 14.641 -20.194 8.207 91 HE2 LYS 11 1HE LYS 11 12.858 -18.360 8.795 92 HE3 LYS 11 2HE LYS 11 12.346 -18.564 7.115 93 HZ1 LYS 11 1HZ LYS 11 12.443 -20.693 9.172 94 HZ2 LYS 11 2HZ LYS 11 11.962 -20.912 7.608 95 HZ3 LYS 11 3HZ LYS 11 11.084 -19.947 8.620 96 H ALA 12 H ALA 12 16.233 -15.742 9.464 97 HA ALA 12 HA ALA 12 19.103 -15.457 9.096 98 HB1 ALA 12 1HB ALA 12 17.420 -16.235 11.524 99 HB2 ALA 12 2HB ALA 12 19.122 -15.752 11.551 100 HB3 ALA 12 3HB ALA 12 17.888 -14.584 11.078 101 H LEU 13 H LEU 13 20.571 -17.072 8.681 102 HA LEU 13 HA LEU 13 19.645 -19.894 8.797 103 HB2 LEU 13 1HB LEU 13 22.304 -18.654 8.045 104 HB3 LEU 13 2HB LEU 13 21.953 -20.363 7.997 105 HG LEU 13 HG LEU 13 21.820 -19.901 5.838 106 HD11 LEU 13 1HD1 LEU 13 19.568 -19.764 5.000 107 HD12 LEU 13 2HD1 LEU 13 18.991 -19.042 6.520 108 HD13 LEU 13 3HD1 LEU 13 19.563 -20.731 6.487 109 HD21 LEU 13 1HD2 LEU 13 22.336 -17.515 6.185 110 HD22 LEU 13 2HD2 LEU 13 20.583 -17.218 6.310 111 HD23 LEU 13 3HD2 LEU 13 21.286 -17.856 4.806 112 H TYR 14 H TYR 14 21.278 -17.580 10.702 113 HA TYR 14 HA TYR 14 22.055 -19.641 12.695 114 HB2 TYR 14 1HB TYR 14 23.845 -17.346 11.807 115 HB3 TYR 14 2HB TYR 14 24.210 -18.566 13.030 116 HD1 TYR 14 HD1 TYR 14 24.047 -17.830 9.434 117 HD2 TYR 14 HD2 TYR 14 24.795 -20.904 12.341 118 HE1 TYR 14 HE1 TYR 14 25.053 -19.258 7.657 119 HE2 TYR 14 HE2 TYR 14 25.830 -22.311 10.574 120 HH TYR 14 HH TYR 14 26.094 -21.222 7.178 121 H ASP 15 H ASP 15 22.484 -18.372 14.825 122 HA ASP 15 HA ASP 15 20.481 -16.225 15.085 123 HB2 ASP 15 1HB ASP 15 21.137 -16.267 17.443 124 HB3 ASP 15 2HB ASP 15 20.829 -17.916 16.878 125 H ASN 16 H ASN 16 21.354 -14.242 16.430 126 HA ASN 16 HA ASN 16 24.132 -13.551 15.769 127 HB2 ASN 16 1HB ASN 16 22.673 -12.802 13.806 128 HB3 ASN 16 2HB ASN 16 21.913 -11.669 14.923 129 HD21 ASN 16 1HD2 ASN 16 24.442 -9.315 14.460 130 HD22 ASN 16 2HD2 ASN 16 22.751 -9.681 14.787 131 H VAL 17 H VAL 17 24.998 -12.177 17.214 132 HA VAL 17 HA VAL 17 23.195 -11.137 19.346 133 HB VAL 17 HB VAL 17 26.181 -11.816 19.459 134 HG11 VAL 17 1HG1 VAL 17 24.293 -10.775 21.627 135 HG12 VAL 17 2HG1 VAL 17 25.970 -11.309 21.889 136 HG13 VAL 17 3HG1 VAL 17 25.646 -9.882 20.888 137 HG21 VAL 17 1HG2 VAL 17 23.778 -13.181 20.765 138 HG22 VAL 17 2HG2 VAL 17 24.782 -13.853 19.461 139 HG23 VAL 17 3HG2 VAL 17 25.483 -13.585 21.071 140 H ALA 18 H ALA 18 22.999 -9.023 19.313 141 HA ALA 18 HA ALA 18 24.461 -7.433 17.374 142 HB1 ALA 18 1HB ALA 18 22.103 -6.997 17.778 143 HB2 ALA 18 2HB ALA 18 22.419 -6.708 19.507 144 HB3 ALA 18 3HB ALA 18 23.064 -5.590 18.283 145 H GLU 19 H GLU 19 26.478 -6.855 17.791 146 HA GLU 19 HA GLU 19 27.317 -6.431 20.633 147 HB2 GLU 19 1HB GLU 19 28.867 -6.749 18.039 148 HB3 GLU 19 2HB GLU 19 29.612 -6.427 19.615 149 HG2 GLU 19 1HG GLU 19 28.670 -8.512 20.492 150 HG3 GLU 19 2HG GLU 19 27.922 -8.853 18.929 151 H SER 20 H SER 20 26.573 -4.866 17.647 152 HA SER 20 HA SER 20 27.734 -2.292 18.613 153 HB2 SER 20 1HB SER 20 26.455 -2.966 15.936 154 HB3 SER 20 2HB SER 20 27.404 -1.521 16.337 155 HG SER 20 HG SER 20 29.160 -3.037 16.785 156 HA PRO 21 HA PRO 21 23.667 -1.090 19.788 157 HB2 PRO 21 1HB PRO 21 23.754 1.629 19.509 158 HB3 PRO 21 2HB PRO 21 24.689 0.766 20.775 159 HG2 PRO 21 1HG PRO 21 25.607 1.718 18.069 160 HG3 PRO 21 2HG PRO 21 26.370 1.961 19.671 161 HD2 PRO 21 1HD PRO 21 27.194 0.042 18.003 162 HD3 PRO 21 2HD PRO 21 27.157 -0.201 19.785 163 H ASP 22 H ASP 22 24.873 -0.739 16.636 164 HA ASP 22 HA ASP 22 22.344 0.288 15.514 165 HB2 ASP 22 1HB ASP 22 25.112 -0.211 14.370 166 HB3 ASP 22 2HB ASP 22 23.756 0.463 13.458 167 H GLU 23 H GLU 23 23.662 -2.641 16.378 168 HA GLU 23 HA GLU 23 22.928 -4.057 13.885 169 HB2 GLU 23 1HB GLU 23 25.148 -4.344 15.038 170 HB3 GLU 23 2HB GLU 23 24.293 -5.089 16.388 171 HG2 GLU 23 1HG GLU 23 23.502 -6.876 14.880 172 HG3 GLU 23 2HG GLU 23 24.345 -6.103 13.535 173 H LEU 24 H LEU 24 21.602 -5.978 13.954 174 HA LEU 24 HA LEU 24 19.566 -5.904 16.149 175 HB2 LEU 24 1HB LEU 24 19.535 -7.115 13.380 176 HB3 LEU 24 2HB LEU 24 18.305 -7.448 14.590 177 HG LEU 24 HG LEU 24 18.935 -4.714 13.439 178 HD11 LEU 24 1HD1 LEU 24 17.966 -6.072 11.740 179 HD12 LEU 24 2HD1 LEU 24 16.676 -5.029 12.369 180 HD13 LEU 24 3HD1 LEU 24 16.759 -6.734 12.863 181 HD21 LEU 24 1HD2 LEU 24 16.772 -5.668 15.354 182 HD22 LEU 24 2HD2 LEU 24 16.758 -4.094 14.527 183 HD23 LEU 24 3HD2 LEU 24 18.056 -4.472 15.676 184 H SER 25 H SER 25 19.036 -7.642 17.339 185 HA SER 25 HA SER 25 20.832 -10.006 17.140 186 HB2 SER 25 1HB SER 25 19.929 -10.312 19.567 187 HB3 SER 25 2HB SER 25 21.169 -9.076 19.275 188 HG SER 25 HG SER 25 19.483 -8.206 20.501 189 H PHE 26 H PHE 26 19.932 -11.870 16.700 190 HA PHE 26 HA PHE 26 17.045 -12.355 17.071 191 HB2 PHE 26 1HB PHE 26 16.730 -12.964 14.673 192 HB3 PHE 26 2HB PHE 26 16.946 -11.248 14.971 193 HD1 PHE 26 HD1 PHE 26 18.793 -14.308 13.852 194 HD2 PHE 26 HD2 PHE 26 18.588 -10.012 13.894 195 HE1 PHE 26 HE1 PHE 26 20.607 -14.209 12.151 196 HE2 PHE 26 HE2 PHE 26 20.365 -9.904 12.190 197 HZ PHE 26 HZ PHE 26 21.373 -12.015 11.293 198 H ARG 27 H ARG 27 16.439 -14.555 16.101 199 HA ARG 27 HA ARG 27 18.587 -16.472 16.912 200 HB2 ARG 27 1HB ARG 27 16.321 -16.229 18.128 201 HB3 ARG 27 2HB ARG 27 15.579 -16.870 16.667 202 HG2 ARG 27 1HG ARG 27 15.737 -18.669 18.145 203 HG3 ARG 27 2HG ARG 27 17.044 -18.930 16.986 204 HD2 ARG 27 1HD ARG 27 18.675 -18.003 18.574 205 HD3 ARG 27 2HD ARG 27 17.374 -17.617 19.712 206 HE ARG 27 HE ARG 27 18.590 -20.230 19.219 207 HH11 ARG 27 1HH1 ARG 27 15.772 -18.585 20.584 208 HH12 ARG 27 2HH1 ARG 27 15.375 -19.929 21.617 209 HH21 ARG 27 1HH2 ARG 27 18.006 -21.908 20.553 210 HH22 ARG 27 2HH2 ARG 27 16.608 -21.782 21.585 211 H LYS 28 H LYS 28 18.775 -18.437 15.681 212 HA LYS 28 HA LYS 28 18.655 -18.238 12.839 213 HB2 LYS 28 1HB LYS 28 20.084 -19.861 14.002 214 HB3 LYS 28 2HB LYS 28 18.683 -20.615 14.758 215 HG2 LYS 28 1HG LYS 28 17.921 -21.492 12.647 216 HG3 LYS 28 2HG LYS 28 19.175 -20.601 11.775 217 HD2 LYS 28 1HD LYS 28 20.921 -21.871 12.973 218 HD3 LYS 28 2HD LYS 28 19.668 -22.769 13.855 219 HE2 LYS 28 1HE LYS 28 18.845 -23.736 11.763 220 HE3 LYS 28 2HE LYS 28 19.999 -22.749 10.830 221 HZ1 LYS 28 1HZ LYS 28 20.825 -25.000 11.204 222 HZ2 LYS 28 2HZ LYS 28 20.783 -24.774 12.838 223 HZ3 LYS 28 3HZ LYS 28 21.805 -23.880 11.897 224 H GLY 29 H GLY 29 17.031 -18.488 11.438 225 HA2 GLY 29 1HA GLY 29 15.064 -19.540 10.651 226 HA3 GLY 29 2HA GLY 29 14.586 -19.925 12.304 227 H ASP 30 H ASP 30 15.511 -16.825 12.678 228 HA ASP 30 HA ASP 30 12.776 -15.881 12.711 229 HB2 ASP 30 1HB ASP 30 15.468 -14.531 13.129 230 HB3 ASP 30 2HB ASP 30 13.941 -13.650 13.194 231 H ILE 31 H ILE 31 12.045 -13.928 11.615 232 HA ILE 31 HA ILE 31 13.220 -13.651 8.875 233 HB ILE 31 HB ILE 31 10.298 -13.317 9.728 234 HG12 ILE 31 1HG1 ILE 31 10.845 -15.675 9.641 235 HG13 ILE 31 2HG1 ILE 31 9.859 -15.244 8.248 236 HG21 ILE 31 1HG2 ILE 31 11.704 -12.925 7.041 237 HG22 ILE 31 2HG2 ILE 31 9.936 -13.114 7.196 238 HG23 ILE 31 3HG2 ILE 31 10.753 -11.738 7.963 239 HD11 ILE 31 1HD1 ILE 31 12.146 -15.049 6.975 240 HD12 ILE 31 2HD1 ILE 31 12.759 -16.009 8.347 241 HD13 ILE 31 3HD1 ILE 31 11.448 -16.639 7.325 242 H MET 32 H MET 32 13.893 -11.660 8.372 243 HA MET 32 HA MET 32 12.726 -9.362 9.883 244 HB2 MET 32 1HB MET 32 14.947 -8.268 9.810 245 HB3 MET 32 2HB MET 32 14.919 -9.713 10.803 246 HG2 MET 32 1HG MET 32 15.736 -10.799 8.464 247 HG3 MET 32 2HG MET 32 16.416 -9.181 8.321 248 HE1 MET 32 1HE MET 32 17.342 -12.352 11.588 249 HE2 MET 32 2HE MET 32 15.715 -11.649 11.463 250 HE3 MET 32 3HE MET 32 16.377 -12.618 10.118 251 H THR 33 H THR 33 12.717 -7.415 8.747 252 HA THR 33 HA THR 33 12.282 -7.860 5.841 253 HB THR 33 HB THR 33 11.798 -5.428 7.623 254 HG1 THR 33 HG1 THR 33 9.628 -6.116 7.441 255 HG21 THR 33 1HG2 THR 33 12.070 -4.719 5.325 256 HG22 THR 33 2HG2 THR 33 10.344 -4.682 5.739 257 HG23 THR 33 3HG2 THR 33 10.985 -6.019 4.754 258 H VAL 34 H VAL 34 14.012 -7.615 4.523 259 HA VAL 34 HA VAL 34 16.322 -6.017 5.352 260 HB VAL 34 HB VAL 34 15.723 -7.262 2.656 261 HG11 VAL 34 1HG1 VAL 34 18.203 -7.156 2.361 262 HG12 VAL 34 2HG1 VAL 34 17.445 -5.557 2.472 263 HG13 VAL 34 3HG1 VAL 34 18.311 -6.226 3.877 264 HG21 VAL 34 1HG2 VAL 34 17.268 -9.060 3.433 265 HG22 VAL 34 2HG2 VAL 34 17.214 -8.348 5.057 266 HG23 VAL 34 3HG2 VAL 34 15.734 -9.001 4.313 267 H LEU 35 H LEU 35 16.467 -3.945 5.120 268 HA LEU 35 HA LEU 35 14.511 -2.544 3.406 269 HB2 LEU 35 1HB LEU 35 16.512 -1.595 5.474 270 HB3 LEU 35 2HB LEU 35 15.359 -0.562 4.644 271 HG LEU 35 HG LEU 35 14.593 -2.888 6.441 272 HD11 LEU 35 1HD1 LEU 35 15.685 -1.238 7.731 273 HD12 LEU 35 2HD1 LEU 35 13.939 -1.065 7.996 274 HD13 LEU 35 3HD1 LEU 35 14.790 0.079 6.931 275 HD21 LEU 35 1HD2 LEU 35 12.353 -1.832 6.426 276 HD22 LEU 35 2HD2 LEU 35 12.837 -2.378 4.812 277 HD23 LEU 35 3HD2 LEU 35 12.925 -0.652 5.227 278 H GLU 36 H GLU 36 18.061 -2.763 3.989 279 HA GLU 36 HA GLU 36 18.420 -2.471 1.095 280 HB2 GLU 36 1HB GLU 36 19.734 -0.551 1.031 281 HB3 GLU 36 2HB GLU 36 18.336 -0.124 2.000 282 HG2 GLU 36 1HG GLU 36 19.690 -0.430 3.993 283 HG3 GLU 36 2HG GLU 36 21.089 -0.647 2.937 284 H ARG 37 H ARG 37 20.923 -2.541 0.619 285 HA ARG 37 HA ARG 37 22.254 -4.341 2.596 286 HB2 ARG 37 1HB ARG 37 22.191 -4.639 -0.430 287 HB3 ARG 37 2HB ARG 37 23.079 -5.671 0.698 288 HG2 ARG 37 1HG ARG 37 20.886 -6.325 1.715 289 HG3 ARG 37 2HG ARG 37 20.070 -5.415 0.450 290 HD2 ARG 37 1HD ARG 37 21.973 -7.719 -0.053 291 HD3 ARG 37 2HD ARG 37 20.211 -7.847 -0.040 292 HE ARG 37 HE ARG 37 20.084 -6.560 -2.037 293 HH11 ARG 37 1HH1 ARG 37 23.452 -7.194 -1.154 294 HH12 ARG 37 2HH1 ARG 37 24.039 -6.776 -2.739 295 HH21 ARG 37 1HH2 ARG 37 20.916 -6.039 -4.026 296 HH22 ARG 37 2HH2 ARG 37 22.633 -6.139 -4.328 297 H ASP 38 H ASP 38 24.540 -4.058 2.597 298 HA ASP 38 HA ASP 38 26.420 -2.758 2.570 299 HB2 ASP 38 1HB ASP 38 26.529 -3.321 0.169 300 HB3 ASP 38 2HB ASP 38 25.517 -1.922 -0.217 301 H THR 39 H THR 39 24.228 -1.982 3.880 302 HA THR 39 HA THR 39 23.346 0.694 3.343 303 HB THR 39 HB THR 39 21.979 -0.764 4.695 304 HG1 THR 39 HG1 THR 39 21.827 1.389 5.258 305 HG21 THR 39 1HG2 THR 39 23.595 -2.210 5.652 306 HG22 THR 39 2HG2 THR 39 22.594 -1.474 6.904 307 HG23 THR 39 3HG2 THR 39 24.244 -0.878 6.645 308 H GLN 40 H GLN 40 24.044 2.599 4.100 309 HA GLN 40 HA GLN 40 25.547 4.174 4.729 310 HB2 GLN 40 1HB GLN 40 26.625 2.473 6.937 311 HB3 GLN 40 2HB GLN 40 26.269 4.197 6.907 312 HG2 GLN 40 1HG GLN 40 23.792 3.494 6.764 313 HG3 GLN 40 2HG GLN 40 24.349 1.879 7.201 314 HE21 GLN 40 1HE2 GLN 40 24.498 2.562 10.584 315 HE22 GLN 40 2HE2 GLN 40 24.464 1.397 9.280 316 H GLY 41 H GLY 41 26.532 1.756 2.987 317 HA2 GLY 41 1HA GLY 41 28.503 1.526 1.782 318 HA3 GLY 41 2HA GLY 41 29.293 2.716 2.835 319 H LEU 42 H LEU 42 27.582 0.207 4.485 320 HA LEU 42 HA LEU 42 30.168 -0.948 5.341 321 HB2 LEU 42 1HB LEU 42 27.333 -1.377 6.323 322 HB3 LEU 42 2HB LEU 42 28.795 -1.961 7.095 323 HG LEU 42 HG LEU 42 28.172 0.978 6.753 324 HD11 LEU 42 1HD1 LEU 42 27.402 0.875 9.103 325 HD12 LEU 42 2HD1 LEU 42 27.555 -0.898 9.053 326 HD13 LEU 42 3HD1 LEU 42 26.383 -0.066 7.995 327 HD21 LEU 42 1HD2 LEU 42 30.516 0.475 7.222 328 HD22 LEU 42 2HD2 LEU 42 30.041 -0.553 8.597 329 HD23 LEU 42 3HD2 LEU 42 29.747 1.199 8.648 330 H ASP 43 H ASP 43 30.603 -2.127 3.400 331 HA ASP 43 HA ASP 43 28.767 -3.861 2.140 332 HB2 ASP 43 1HB ASP 43 31.170 -3.268 1.370 333 HB3 ASP 43 2HB ASP 43 31.665 -4.601 2.436 334 H GLY 44 H GLY 44 28.300 -5.986 2.350 335 HA2 GLY 44 1HA GLY 44 28.230 -8.049 3.411 336 HA3 GLY 44 2HA GLY 44 29.366 -7.483 4.631 337 H TRP 45 H TRP 45 27.638 -4.990 5.130 338 HA TRP 45 HA TRP 45 25.810 -6.299 7.025 339 HB2 TRP 45 1HB TRP 45 26.814 -3.492 6.552 340 HB3 TRP 45 2HB TRP 45 25.582 -3.829 7.719 341 HD1 TRP 45 HD1 TRP 45 29.287 -3.750 7.333 342 HE1 TRP 45 HE1 TRP 45 30.494 -4.586 9.407 343 HE3 TRP 45 HE3 TRP 45 25.262 -5.880 9.604 344 HZ2 TRP 45 HZ2 TRP 45 29.767 -6.065 11.774 345 HZ3 TRP 45 HZ3 TRP 45 25.562 -6.991 11.810 346 HH2 TRP 45 HH2 TRP 45 27.782 -7.084 12.875 347 H TRP 46 H TRP 46 23.643 -6.309 6.824 348 HA TRP 46 HA TRP 46 22.456 -4.728 4.564 349 HB2 TRP 46 1HB TRP 46 21.605 -7.381 5.746 350 HB3 TRP 46 2HB TRP 46 20.687 -6.494 4.533 351 HD1 TRP 46 HD1 TRP 46 24.106 -6.053 3.405 352 HE1 TRP 46 HE1 TRP 46 24.888 -7.770 1.728 353 HE3 TRP 46 HE3 TRP 46 20.352 -9.502 4.096 354 HZ2 TRP 46 HZ2 TRP 46 24.055 -10.351 0.815 355 HZ3 TRP 46 HZ3 TRP 46 20.451 -11.629 2.801 356 HH2 TRP 46 HH2 TRP 46 22.272 -12.034 1.162 357 H LEU 47 H LEU 47 20.896 -3.291 5.152 358 HA LEU 47 HA LEU 47 20.306 -2.927 8.007 359 HB2 LEU 47 1HB LEU 47 20.538 -1.013 6.449 360 HB3 LEU 47 2HB LEU 47 19.198 -1.624 5.497 361 HG LEU 47 HG LEU 47 17.674 -1.180 7.344 362 HD11 LEU 47 1HD1 LEU 47 20.129 -0.153 8.778 363 HD12 LEU 47 2HD1 LEU 47 19.066 -1.495 9.267 364 HD13 LEU 47 3HD1 LEU 47 18.457 0.166 9.288 365 HD21 LEU 47 1HD2 LEU 47 17.759 1.275 7.245 366 HD22 LEU 47 2HD2 LEU 47 18.125 0.568 5.659 367 HD23 LEU 47 3HD2 LEU 47 19.444 1.200 6.672 368 H CYS 48 H CYS 48 18.695 -3.950 9.040 369 HA CYS 48 HA CYS 48 16.334 -4.722 7.409 370 HB2 CYS 48 1HB CYS 48 17.547 -6.545 9.513 371 HB3 CYS 48 2HB CYS 48 16.238 -6.904 8.389 372 HG CYS 48 HG CYS 48 19.418 -6.291 7.703 373 H SER 49 H SER 49 14.514 -5.413 8.799 374 HA SER 49 HA SER 49 14.492 -3.883 11.358 375 HB2 SER 49 1HB SER 49 12.765 -2.638 10.690 376 HB3 SER 49 2HB SER 49 13.199 -3.112 9.055 377 HG SER 49 HG SER 49 11.004 -3.508 9.467 378 H LEU 50 H LEU 50 13.790 -4.966 13.037 379 HA LEU 50 HA LEU 50 12.209 -7.460 12.734 380 HB2 LEU 50 1HB LEU 50 14.616 -8.098 12.503 381 HB3 LEU 50 2HB LEU 50 14.953 -7.285 14.029 382 HG LEU 50 HG LEU 50 12.946 -9.106 14.677 383 HD11 LEU 50 1HD1 LEU 50 14.985 -10.487 12.975 384 HD12 LEU 50 2HD1 LEU 50 13.318 -10.133 12.455 385 HD13 LEU 50 3HD1 LEU 50 13.613 -11.210 13.845 386 HD21 LEU 50 1HD2 LEU 50 14.806 -10.247 15.858 387 HD22 LEU 50 2HD2 LEU 50 14.834 -8.484 16.066 388 HD23 LEU 50 3HD2 LEU 50 15.962 -9.260 14.932 389 H HIS 51 H HIS 51 10.878 -7.665 14.499 390 HA HIS 51 HA HIS 51 9.783 -7.127 16.440 391 HB2 HIS 51 1HB HIS 51 12.582 -6.573 17.498 392 HB3 HIS 51 2HB HIS 51 11.132 -6.826 18.473 393 HD1 HIS 51 HD1 HIS 51 13.607 -8.695 18.793 394 HD2 HIS 51 HD2 HIS 51 10.353 -9.488 16.314 395 HE1 HIS 51 HE1 HIS 51 13.531 -11.200 18.453 396 H GLY 52 H GLY 52 10.184 -4.924 14.495 397 HA2 GLY 52 1HA GLY 52 9.514 -2.710 14.456 398 HA3 GLY 52 2HA GLY 52 9.279 -2.778 16.206 399 H ARG 53 H ARG 53 12.424 -3.764 15.193 400 HA ARG 53 HA ARG 53 13.517 -1.058 15.857 401 HB2 ARG 53 1HB ARG 53 13.704 -3.284 17.426 402 HB3 ARG 53 2HB ARG 53 15.086 -3.562 16.372 403 HG2 ARG 53 1HG ARG 53 14.719 -0.934 17.842 404 HG3 ARG 53 2HG ARG 53 15.435 -2.350 18.627 405 HD2 ARG 53 1HD ARG 53 17.099 -2.453 16.715 406 HD3 ARG 53 2HD ARG 53 16.497 -0.860 16.212 407 HE ARG 53 HE ARG 53 17.135 -0.727 18.959 408 HH11 ARG 53 1HH1 ARG 53 18.884 -1.084 15.889 409 HH12 ARG 53 2HH1 ARG 53 20.354 -0.428 16.585 410 HH21 ARG 53 1HH2 ARG 53 19.036 0.131 19.703 411 HH22 ARG 53 2HH2 ARG 53 20.434 0.242 18.652 412 H GLN 54 H GLN 54 15.274 -0.468 14.546 413 HA GLN 54 HA GLN 54 15.678 -2.181 12.129 414 HB2 GLN 54 1HB GLN 54 15.196 0.666 12.551 415 HB3 GLN 54 2HB GLN 54 16.687 0.386 11.641 416 HG2 GLN 54 1HG GLN 54 15.458 -0.918 10.013 417 HG3 GLN 54 2HG GLN 54 13.974 -0.751 10.960 418 HE21 GLN 54 1HE2 GLN 54 15.399 2.678 9.179 419 HE22 GLN 54 2HE2 GLN 54 16.520 1.555 9.908 420 H GLY 55 H GLY 55 17.809 -2.536 11.405 421 HA2 GLY 55 1HA GLY 55 20.070 -1.208 12.478 422 HA3 GLY 55 2HA GLY 55 19.800 -2.671 13.436 423 H ILE 56 H ILE 56 22.143 -2.519 12.161 424 HA ILE 56 HA ILE 56 21.914 -3.736 9.488 425 HB ILE 56 HB ILE 56 24.391 -3.718 9.465 426 HG12 ILE 56 1HG1 ILE 56 24.098 -2.763 12.364 427 HG13 ILE 56 2HG1 ILE 56 24.730 -4.324 11.859 428 HG21 ILE 56 1HG2 ILE 56 23.426 -1.086 10.705 429 HG22 ILE 56 2HG2 ILE 56 24.670 -1.339 9.454 430 HG23 ILE 56 3HG2 ILE 56 22.960 -1.606 9.069 431 HD11 ILE 56 1HD1 ILE 56 25.974 -1.587 11.518 432 HD12 ILE 56 2HD1 ILE 56 26.591 -2.987 12.416 433 HD13 ILE 56 3HD1 ILE 56 26.557 -3.018 10.639 434 H VAL 57 H VAL 57 22.802 -5.759 8.948 435 HA VAL 57 HA VAL 57 23.033 -7.759 11.151 436 HB VAL 57 HB VAL 57 21.279 -8.034 8.697 437 HG11 VAL 57 1HG1 VAL 57 21.922 -9.973 10.834 438 HG12 VAL 57 2HG1 VAL 57 20.549 -10.154 9.731 439 HG13 VAL 57 3HG1 VAL 57 22.201 -10.128 9.089 440 HG21 VAL 57 1HG2 VAL 57 19.397 -8.227 10.339 441 HG22 VAL 57 2HG2 VAL 57 20.553 -7.736 11.601 442 HG23 VAL 57 3HG2 VAL 57 20.151 -6.620 10.280 443 HA PRO 58 HA PRO 58 26.262 -8.831 8.266 444 HB2 PRO 58 1HB PRO 58 26.970 -11.327 9.153 445 HB3 PRO 58 2HB PRO 58 27.389 -9.830 10.044 446 HG2 PRO 58 1HG PRO 58 25.116 -11.725 10.523 447 HG3 PRO 58 2HG PRO 58 26.279 -11.037 11.695 448 HD2 PRO 58 1HD PRO 58 23.790 -10.004 11.306 449 HD3 PRO 58 2HD PRO 58 25.186 -8.974 11.716 450 H GLY 59 H GLY 59 25.747 -9.291 6.202 451 HA2 GLY 59 1HA GLY 59 23.500 -10.825 5.420 452 HA3 GLY 59 2HA GLY 59 24.852 -10.353 4.377 453 H ASN 60 H ASN 60 26.763 -11.822 6.193 454 HA ASN 60 HA ASN 60 26.789 -14.313 4.813 455 HB2 ASN 60 1HB ASN 60 28.591 -12.902 6.286 456 HB3 ASN 60 2HB ASN 60 28.163 -14.162 7.453 457 HD21 ASN 60 1HD2 ASN 60 29.341 -16.782 5.159 458 HD22 ASN 60 2HD2 ASN 60 27.885 -16.413 6.066 459 H ARG 61 H ARG 61 24.904 -13.335 7.563 460 HA ARG 61 HA ARG 61 24.410 -16.209 8.233 461 HB2 ARG 61 1HB ARG 61 23.917 -13.706 9.890 462 HB3 ARG 61 2HB ARG 61 23.522 -15.358 10.380 463 HG2 ARG 61 1HG ARG 61 25.966 -15.931 10.170 464 HG3 ARG 61 2HG ARG 61 26.295 -14.203 9.920 465 HD2 ARG 61 1HD ARG 61 25.263 -13.695 12.105 466 HD3 ARG 61 2HD ARG 61 24.901 -15.414 12.324 467 HE ARG 61 HE ARG 61 27.717 -15.014 11.843 468 HH11 ARG 61 1HH1 ARG 61 25.290 -14.814 14.423 469 HH12 ARG 61 2HH1 ARG 61 26.501 -14.980 15.668 470 HH21 ARG 61 1HH2 ARG 61 29.154 -15.257 13.469 471 HH22 ARG 61 2HH2 ARG 61 28.645 -15.224 15.146 472 H LEU 62 H LEU 62 23.189 -14.045 6.182 473 HA LEU 62 HA LEU 62 20.359 -14.705 6.886 474 HB2 LEU 62 1HB LEU 62 21.671 -12.210 5.946 475 HB3 LEU 62 2HB LEU 62 20.131 -12.610 5.207 476 HG LEU 62 HG LEU 62 20.623 -12.230 8.152 477 HD11 LEU 62 1HD1 LEU 62 19.272 -10.202 7.816 478 HD12 LEU 62 2HD1 LEU 62 19.134 -10.585 6.082 479 HD13 LEU 62 3HD1 LEU 62 20.719 -10.183 6.792 480 HD21 LEU 62 1HD2 LEU 62 18.090 -12.192 8.259 481 HD22 LEU 62 2HD2 LEU 62 18.853 -13.763 8.069 482 HD23 LEU 62 3HD2 LEU 62 18.110 -12.976 6.667 483 H LYS 63 H LYS 63 18.902 -15.127 5.341 484 HA LYS 63 HA LYS 63 19.975 -15.494 2.560 485 HB2 LYS 63 1HB LYS 63 19.697 -17.745 3.510 486 HB3 LYS 63 2HB LYS 63 18.046 -17.360 4.008 487 HG2 LYS 63 1HG LYS 63 17.360 -17.137 1.671 488 HG3 LYS 63 2HG LYS 63 19.025 -17.354 1.130 489 HD2 LYS 63 1HD LYS 63 17.894 -19.391 0.739 490 HD3 LYS 63 2HD LYS 63 18.960 -19.675 2.126 491 HE2 LYS 63 1HE LYS 63 17.125 -19.599 3.659 492 HE3 LYS 63 2HE LYS 63 16.040 -18.924 2.420 493 HZ1 LYS 63 1HZ LYS 63 16.211 -21.014 1.186 494 HZ2 LYS 63 2HZ LYS 63 15.634 -21.294 2.704 495 HZ3 LYS 63 3HZ LYS 63 17.200 -21.658 2.338 496 H ILE 64 H ILE 64 19.001 -14.214 1.228 497 HA ILE 64 HA ILE 64 16.571 -12.817 1.857 498 HB ILE 64 HB ILE 64 17.897 -13.313 -0.853 499 HG12 ILE 64 1HG1 ILE 64 19.453 -12.233 0.738 500 HG13 ILE 64 2HG1 ILE 64 19.001 -11.180 -0.589 501 HG21 ILE 64 1HG2 ILE 64 15.689 -12.516 -1.241 502 HG22 ILE 64 2HG2 ILE 64 15.808 -11.351 0.093 503 HG23 ILE 64 3HG2 ILE 64 16.749 -11.096 -1.392 504 HD11 ILE 64 1HD1 ILE 64 17.989 -11.004 2.273 505 HD12 ILE 64 2HD1 ILE 64 19.062 -9.868 1.436 506 HD13 ILE 64 3HD1 ILE 64 17.373 -9.999 0.940 507 H LEU 65 H LEU 65 14.499 -13.480 1.617 508 HA LEU 65 HA LEU 65 14.053 -16.118 0.322 509 HB2 LEU 65 1HB LEU 65 12.155 -14.336 1.892 510 HB3 LEU 65 2HB LEU 65 11.827 -15.980 1.341 511 HG LEU 65 HG LEU 65 13.923 -15.162 3.387 512 HD11 LEU 65 1HD1 LEU 65 11.624 -14.937 4.187 513 HD12 LEU 65 2HD1 LEU 65 12.461 -16.273 4.991 514 HD13 LEU 65 3HD1 LEU 65 11.279 -16.616 3.704 515 HD21 LEU 65 1HD2 LEU 65 13.138 -17.912 2.333 516 HD22 LEU 65 2HD2 LEU 65 14.098 -17.639 3.805 517 HD23 LEU 65 3HD2 LEU 65 14.737 -17.126 2.232 518 H VAL 66 H VAL 66 14.327 -15.585 -1.803 519 HA VAL 66 HA VAL 66 13.218 -13.254 -3.040 520 HB VAL 66 HB VAL 66 14.085 -15.897 -4.312 521 HG11 VAL 66 1HG1 VAL 66 12.862 -14.485 -5.913 522 HG12 VAL 66 2HG1 VAL 66 13.871 -13.085 -5.485 523 HG13 VAL 66 3HG1 VAL 66 14.589 -14.488 -6.314 524 HG21 VAL 66 1HG2 VAL 66 16.298 -14.751 -4.636 525 HG22 VAL 66 2HG2 VAL 66 15.713 -13.410 -3.626 526 HG23 VAL 66 3HG2 VAL 66 15.912 -15.037 -2.931 527 H GLY 67 H GLY 67 11.919 -16.438 -2.332 528 HA2 GLY 67 1HA GLY 67 9.443 -16.433 -2.159 529 HA3 GLY 67 2HA GLY 67 9.403 -15.651 -3.746 530 H MET 68 H MET 68 9.477 -16.868 -5.571 531 HA MET 68 HA MET 68 8.992 -19.707 -5.304 532 HB2 MET 68 1HB MET 68 9.552 -17.965 -7.732 533 HB3 MET 68 2HB MET 68 9.038 -19.655 -7.803 534 HG2 MET 68 1HG MET 68 6.928 -19.089 -6.689 535 HG3 MET 68 2HG MET 68 7.441 -17.400 -6.545 536 HE1 MET 68 1HE MET 68 7.777 -19.990 -9.647 537 HE2 MET 68 2HE MET 68 6.181 -20.252 -8.899 538 HE3 MET 68 3HE MET 68 6.296 -19.524 -10.520 539 H TYR 69 H TYR 69 11.881 -17.863 -5.539 540 HA TYR 69 HA TYR 69 13.420 -20.076 -6.751 541 HB2 TYR 69 1HB TYR 69 14.015 -17.231 -5.952 542 HB3 TYR 69 2HB TYR 69 15.329 -18.375 -6.203 543 HD1 TYR 69 HD1 TYR 69 12.234 -17.103 -7.997 544 HD2 TYR 69 HD2 TYR 69 16.276 -18.563 -8.324 545 HE1 TYR 69 HE1 TYR 69 12.213 -16.641 -10.448 546 HE2 TYR 69 HE2 TYR 69 16.239 -18.091 -10.773 547 HH TYR 69 HH TYR 69 13.407 -16.686 -12.410 548 H ASP 70 H ASP 70 14.050 -21.684 -5.494 549 HA ASP 70 HA ASP 70 15.450 -21.020 -2.962 550 HB2 ASP 70 1HB ASP 70 13.127 -21.860 -2.359 551 HB3 ASP 70 2HB ASP 70 13.521 -23.364 -3.210 552 H LYS 71 H LYS 71 17.010 -22.754 -2.463 553 HA LYS 71 HA LYS 71 18.102 -23.823 -4.997 554 HB2 LYS 71 1HB LYS 71 19.362 -22.619 -3.023 555 HB3 LYS 71 2HB LYS 71 19.384 -24.236 -2.304 556 HG2 LYS 71 1HG LYS 71 20.503 -25.090 -4.381 557 HG3 LYS 71 2HG LYS 71 20.512 -23.440 -5.024 558 HD2 LYS 71 1HD LYS 71 21.870 -22.721 -3.059 559 HD3 LYS 71 2HD LYS 71 21.924 -24.407 -2.509 560 HE2 LYS 71 1HE LYS 71 22.997 -23.359 -5.168 561 HE3 LYS 71 2HE LYS 71 23.979 -23.769 -3.750 562 HZ1 LYS 71 1HZ LYS 71 23.948 -25.564 -5.373 563 HZ2 LYS 71 2HZ LYS 71 22.307 -25.688 -5.278 564 HZ3 LYS 71 3HZ LYS 71 23.238 -26.066 -3.971 565 H LYS 72 H LYS 72 15.793 -24.941 -2.978 566 HA LYS 72 HA LYS 72 16.621 -27.785 -3.409 567 HB2 LYS 72 1HB LYS 72 15.018 -26.584 -1.128 568 HB3 LYS 72 2HB LYS 72 15.159 -28.315 -1.433 569 HG2 LYS 72 1HG LYS 72 17.583 -28.203 -1.095 570 HG3 LYS 72 2HG LYS 72 17.477 -26.457 -0.790 571 HD2 LYS 72 1HD LYS 72 16.074 -26.833 1.161 572 HD3 LYS 72 2HD LYS 72 16.020 -28.575 0.838 573 HE2 LYS 72 1HE LYS 72 18.597 -27.062 1.389 574 HE3 LYS 72 2HE LYS 72 17.638 -27.867 2.647 575 HZ1 LYS 72 1HZ LYS 72 19.396 -29.309 1.839 576 HZ2 LYS 72 2HZ LYS 72 18.828 -29.219 0.293 577 HZ3 LYS 72 3HZ LYS 72 17.927 -29.957 1.459 578 HA PRO 73 HA PRO 73 12.976 -27.506 -5.845 579 HB2 PRO 73 1HB PRO 73 12.586 -30.079 -6.584 580 HB3 PRO 73 2HB PRO 73 14.051 -29.175 -7.092 581 HG2 PRO 73 1HG PRO 73 13.712 -31.076 -4.779 582 HG3 PRO 73 2HG PRO 73 14.958 -31.084 -6.070 583 HD2 PRO 73 1HD PRO 73 15.394 -29.964 -3.620 584 HD3 PRO 73 2HD PRO 73 16.120 -29.288 -5.117 585 H ALA 74 H ALA 74 12.895 -28.869 -2.756 586 HA ALA 74 HA ALA 74 9.936 -29.066 -2.859 587 HB1 ALA 74 1HB ALA 74 9.988 -31.146 -1.548 588 HB2 ALA 74 2HB ALA 74 10.852 -31.370 -3.086 589 HB3 ALA 74 3HB ALA 74 11.767 -31.145 -1.573 590 H GLY 75 H GLY 75 11.960 -27.066 -1.830 591 HA2 GLY 75 1HA GLY 75 11.970 -25.653 0.001 592 HA3 GLY 75 2HA GLY 75 10.645 -26.602 0.689 593 H SER 76 H SER 76 11.720 -26.194 2.735 594 HA SER 76 HA SER 76 14.352 -27.278 3.246 595 HB2 SER 76 1HB SER 76 12.147 -26.460 5.174 596 HB3 SER 76 2HB SER 76 13.852 -26.732 5.590 597 HG SER 76 HG SER 76 13.232 -24.497 5.207 598 H GLY 77 H GLY 77 14.934 -29.274 3.854 599 HA2 GLY 77 1HA GLY 77 12.887 -31.335 4.207 600 HA3 GLY 77 2HA GLY 77 14.642 -31.565 4.156 601 H GLY 78 H GLY 78 12.257 -29.846 6.246 602 HA2 GLY 78 1HA GLY 78 12.006 -29.932 8.553 603 HA3 GLY 78 2HA GLY 78 12.979 -31.414 8.557 604 H SER 79 H SER 79 13.996 -30.685 10.513 605 HA SER 79 HA SER 79 16.412 -29.122 9.941 606 HB2 SER 79 1HB SER 79 14.421 -28.277 12.094 607 HB3 SER 79 2HB SER 79 16.081 -27.660 11.942 608 HG SER 79 HG SER 79 14.687 -27.529 9.594 609 H GLY 80 H GLY 80 18.064 -29.660 11.454 610 HA2 GLY 80 1HA GLY 80 18.706 -30.676 13.581 611 HA3 GLY 80 2HA GLY 80 17.332 -31.785 13.428 612 H SER 81 H SER 81 20.565 -30.980 12.269 613 HA SER 81 HA SER 81 20.658 -33.270 10.448 614 HB2 SER 81 1HB SER 81 22.924 -31.449 11.313 615 HB3 SER 81 2HB SER 81 22.808 -32.417 9.828 616 HG SER 81 HG SER 81 22.293 -30.196 9.497 617 H GLY 82 H GLY 82 20.642 -33.419 13.640 618 HA2 GLY 82 1HA GLY 82 21.393 -35.153 15.015 619 HA3 GLY 82 2HA GLY 82 22.495 -35.681 13.737 620 H LEU 83 H LEU 83 23.604 -32.912 13.476 621 HA LEU 83 HA LEU 83 25.859 -33.191 15.148 622 HB2 LEU 83 1HB LEU 83 24.741 -30.668 13.874 623 HB3 LEU 83 2HB LEU 83 26.381 -30.871 14.471 624 HG LEU 83 HG LEU 83 25.190 -32.416 12.142 625 HD11 LEU 83 1HD1 LEU 83 26.569 -30.917 10.743 626 HD12 LEU 83 2HD1 LEU 83 27.060 -30.010 12.195 627 HD13 LEU 83 3HD1 LEU 83 25.361 -30.004 11.672 628 HD21 LEU 83 1HD2 LEU 83 27.566 -32.973 11.654 629 HD22 LEU 83 2HD2 LEU 83 27.030 -33.638 13.208 630 HD23 LEU 83 3HD2 LEU 83 28.049 -32.180 13.171 631 H THR 84 H THR 84 22.893 -31.366 15.601 632 HA THR 84 HA THR 84 21.912 -30.398 17.388 633 HB THR 84 HB THR 84 24.063 -31.519 19.220 634 HG1 THR 84 HG1 THR 84 23.342 -33.235 17.995 635 HG21 THR 84 1HG2 THR 84 21.087 -30.947 19.562 636 HG22 THR 84 2HG2 THR 84 22.424 -30.018 20.287 637 HG23 THR 84 3HG2 THR 84 22.140 -31.703 20.779 638 H ASP 85 H ASP 85 25.327 -29.772 16.933 639 HA ASP 85 HA ASP 85 24.859 -26.957 17.858 640 HB2 ASP 85 1HB ASP 85 26.545 -28.227 19.229 641 HB3 ASP 85 2HB ASP 85 27.487 -28.488 17.750 642 H GLU 86 H GLU 86 25.948 -25.342 16.536 643 HA GLU 86 HA GLU 86 27.013 -26.135 13.920 644 HB2 GLU 86 1HB GLU 86 24.492 -26.283 13.680 645 HB3 GLU 86 2HB GLU 86 24.412 -24.561 14.044 646 HG2 GLU 86 1HG GLU 86 25.904 -24.161 12.045 647 HG3 GLU 86 2HG GLU 86 25.739 -25.884 11.659 648 H LEU 87 H LEU 87 28.832 -24.856 14.278 649 HA LEU 87 HA LEU 87 28.672 -22.278 15.537 650 HB2 LEU 87 1HB LEU 87 30.847 -23.563 13.859 651 HB3 LEU 87 2HB LEU 87 31.022 -22.010 14.670 652 HG LEU 87 HG LEU 87 30.527 -24.655 16.081 653 HD11 LEU 87 1HD1 LEU 87 33.064 -22.987 15.799 654 HD12 LEU 87 2HD1 LEU 87 32.741 -24.540 14.993 655 HD13 LEU 87 3HD1 LEU 87 32.888 -24.474 16.760 656 HD21 LEU 87 1HD2 LEU 87 31.190 -23.368 18.125 657 HD22 LEU 87 2HD2 LEU 87 29.666 -22.809 17.421 658 HD23 LEU 87 3HD2 LEU 87 31.161 -21.871 17.163 659 H ALA 88 H ALA 88 28.324 -20.332 14.775 660 HA ALA 88 HA ALA 88 27.444 -20.062 12.024 661 HB1 ALA 88 1HB ALA 88 27.660 -18.001 14.256 662 HB2 ALA 88 2HB ALA 88 26.734 -17.829 12.744 663 HB3 ALA 88 3HB ALA 88 26.250 -19.043 13.951 664 HA PRO 89 HA PRO 89 31.180 -18.302 10.425 665 HB2 PRO 89 1HB PRO 89 30.271 -16.738 8.379 666 HB3 PRO 89 2HB PRO 89 30.174 -18.528 8.329 667 HG2 PRO 89 1HG PRO 89 28.073 -16.538 9.140 668 HG3 PRO 89 2HG PRO 89 27.954 -17.876 7.953 669 HD2 PRO 89 1HD PRO 89 27.079 -18.155 10.484 670 HD3 PRO 89 2HD PRO 89 27.892 -19.509 9.626 671 HA PRO 90 HA PRO 90 31.707 -14.404 12.338 672 HB2 PRO 90 1HB PRO 90 33.657 -13.133 10.922 673 HB3 PRO 90 2HB PRO 90 33.980 -14.628 11.858 674 HG2 PRO 90 1HG PRO 90 33.376 -14.333 8.927 675 HG3 PRO 90 2HG PRO 90 34.738 -15.193 9.716 676 HD2 PRO 90 1HD PRO 90 32.524 -16.500 8.903 677 HD3 PRO 90 2HD PRO 90 33.360 -16.961 10.423 678 H LYS 91 H LYS 91 31.612 -12.022 12.123 679 HA LYS 91 HA LYS 91 29.722 -11.211 9.966 680 HB2 LYS 91 1HB LYS 91 29.271 -9.258 11.471 681 HB3 LYS 91 2HB LYS 91 28.846 -10.815 12.185 682 HG2 LYS 91 1HG LYS 91 30.893 -10.783 13.553 683 HG3 LYS 91 2HG LYS 91 31.398 -9.268 12.790 684 HD2 LYS 91 1HD LYS 91 30.467 -8.767 14.959 685 HD3 LYS 91 2HD LYS 91 29.362 -8.157 13.725 686 HE2 LYS 91 1HE LYS 91 27.858 -10.076 14.063 687 HE3 LYS 91 2HE LYS 91 29.016 -10.797 15.210 688 HZ1 LYS 91 1HZ LYS 91 28.705 -8.882 16.639 689 HZ2 LYS 91 2HZ LYS 91 27.253 -9.622 16.362 690 HZ3 LYS 91 3HZ LYS 91 27.606 -8.216 15.584 691 HA PRO 92 HA PRO 92 33.040 -8.839 8.244 692 HB2 PRO 92 1HB PRO 92 31.718 -6.701 7.114 693 HB3 PRO 92 2HB PRO 92 31.655 -8.357 6.438 694 HG2 PRO 92 1HG PRO 92 29.705 -6.961 8.176 695 HG3 PRO 92 2HG PRO 92 29.423 -7.915 6.712 696 HD2 PRO 92 1HD PRO 92 29.056 -8.874 9.200 697 HD3 PRO 92 2HD PRO 92 29.610 -9.908 7.840 698 HA PRO 93 HA PRO 93 34.047 -5.871 11.305 699 HB2 PRO 93 1HB PRO 93 35.833 -4.191 10.139 700 HB3 PRO 93 2HB PRO 93 36.192 -5.934 10.360 701 HG2 PRO 93 1HG PRO 93 35.122 -4.522 7.933 702 HG3 PRO 93 2HG PRO 93 36.534 -5.618 8.065 703 HD2 PRO 93 1HD PRO 93 34.110 -6.495 7.254 704 HD3 PRO 93 2HD PRO 93 35.182 -7.520 8.270 705 H LEU 94 H LEU 94 34.196 -3.492 11.879 706 HA LEU 94 HA LEU 94 32.335 -1.807 10.309 707 HB2 LEU 94 1HB LEU 94 32.225 -2.531 13.242 708 HB3 LEU 94 2HB LEU 94 31.582 -0.998 12.676 709 HG LEU 94 HG LEU 94 30.627 -3.736 11.790 710 HD11 LEU 94 1HD1 LEU 94 30.074 -3.024 14.108 711 HD12 LEU 94 2HD1 LEU 94 28.666 -3.216 13.050 712 HD13 LEU 94 3HD1 LEU 94 29.274 -1.586 13.419 713 HD21 LEU 94 1HD2 LEU 94 30.325 -2.142 9.978 714 HD22 LEU 94 2HD2 LEU 94 29.631 -0.942 11.097 715 HD23 LEU 94 3HD2 LEU 94 28.768 -2.453 10.742 716 HA PRO 95 HA PRO 95 35.377 1.319 11.209 717 HB2 PRO 95 1HB PRO 95 33.952 3.593 10.854 718 HB3 PRO 95 2HB PRO 95 34.257 2.469 9.496 719 HG2 PRO 95 1HG PRO 95 31.825 2.701 11.261 720 HG3 PRO 95 2HG PRO 95 31.911 2.663 9.471 721 HD2 PRO 95 1HD PRO 95 31.382 0.437 10.988 722 HD3 PRO 95 2HD PRO 95 32.247 0.351 9.427 723 H GLU 96 H GLU 96 35.790 3.250 12.573 724 HA GLU 96 HA GLU 96 34.742 2.867 15.301 725 HB2 GLU 96 1HB GLU 96 36.948 4.567 14.098 726 HB3 GLU 96 2HB GLU 96 36.477 4.685 15.799 727 HG2 GLU 96 1HG GLU 96 37.159 1.979 14.706 728 HG3 GLU 96 2HG GLU 96 38.467 3.131 15.026 729 H GLY 97 H GLY 97 32.617 3.661 13.916 730 HA2 GLY 97 1HA GLY 97 30.929 5.214 14.417 731 HA3 GLY 97 2HA GLY 97 32.136 6.321 15.067 732 H GLU 98 H GLU 98 30.780 7.897 13.967 733 HA GLU 98 HA GLU 98 30.552 7.965 11.103 734 HB2 GLU 98 1HB GLU 98 29.495 9.353 13.293 735 HB3 GLU 98 2HB GLU 98 30.453 10.571 12.444 736 HG2 GLU 98 1HG GLU 98 28.368 8.825 11.084 737 HG3 GLU 98 2HG GLU 98 28.008 10.408 11.789 738 H VAL 99 H VAL 99 31.634 9.130 9.584 739 HA VAL 99 HA VAL 99 33.973 10.741 10.279 740 HB VAL 99 HB VAL 99 35.023 8.577 10.366 741 HG11 VAL 99 1HG1 VAL 99 33.392 7.147 9.222 742 HG12 VAL 99 2HG1 VAL 99 33.735 7.910 7.659 743 HG13 VAL 99 3HG1 VAL 99 34.969 6.927 8.467 744 HG21 VAL 99 1HG2 VAL 99 36.300 10.375 9.160 745 HG22 VAL 99 2HG2 VAL 99 36.737 8.753 8.603 746 HG23 VAL 99 3HG2 VAL 99 35.678 9.773 7.612 747 HXT VAL 99 H02 VAL 99 31.927 10.871 7.067 Start of MODEL 5 1 H2 GLY 1 2H0 GLY 1 3.770 9.143 -6.495 2 H GLY 1 1H0 GLY 1 2.782 8.228 -5.580 3 HA2 GLY 1 1HA GLY 1 5.220 9.575 -4.547 4 HA3 GLY 1 2HA GLY 1 4.197 8.433 -3.648 5 H SER 2 H SER 2 6.298 7.440 -3.251 6 HA SER 2 HA SER 2 6.709 5.238 -5.157 7 HB2 SER 2 1HB SER 2 9.179 5.538 -5.153 8 HB3 SER 2 2HB SER 2 8.354 6.879 -5.976 9 HG SER 2 HG SER 2 8.692 8.165 -4.212 10 H MET 3 H MET 3 7.895 3.490 -4.086 11 HA MET 3 HA MET 3 7.406 3.577 -1.167 12 HB2 MET 3 1HB MET 3 8.152 1.291 -3.030 13 HB3 MET 3 2HB MET 3 7.811 1.133 -1.300 14 HG2 MET 3 1HG MET 3 5.503 1.953 -1.690 15 HG3 MET 3 2HG MET 3 5.854 2.114 -3.416 16 HE1 MET 3 1HE MET 3 5.056 -1.786 -1.099 17 HE2 MET 3 2HE MET 3 6.447 -0.793 -0.619 18 HE3 MET 3 3HE MET 3 4.797 -0.126 -0.518 19 H LYS 4 H LYS 4 9.033 3.477 0.310 20 HA LYS 4 HA LYS 4 11.775 3.961 -0.690 21 HB2 LYS 4 1HB LYS 4 10.252 4.694 1.637 22 HB3 LYS 4 2HB LYS 4 11.580 3.664 2.179 23 HG2 LYS 4 1HG LYS 4 13.167 5.160 0.932 24 HG3 LYS 4 2HG LYS 4 11.793 6.237 0.597 25 HD2 LYS 4 1HD LYS 4 11.402 6.423 3.063 26 HD3 LYS 4 2HD LYS 4 12.833 5.412 3.339 27 HE2 LYS 4 1HE LYS 4 13.505 7.701 3.619 28 HE3 LYS 4 2HE LYS 4 14.200 7.118 2.092 29 HZ1 LYS 4 1HZ LYS 4 11.754 8.783 2.335 30 HZ2 LYS 4 2HZ LYS 4 12.386 8.221 0.919 31 HZ3 LYS 4 3HZ LYS 4 13.232 9.312 1.831 32 H TYR 5 H TYR 5 13.517 2.638 -0.073 33 HA TYR 5 HA TYR 5 14.668 0.767 0.324 34 HB2 TYR 5 1HB TYR 5 12.475 0.434 2.372 35 HB3 TYR 5 2HB TYR 5 13.881 -0.610 2.279 36 HD1 TYR 5 HD1 TYR 5 12.629 2.021 4.089 37 HD2 TYR 5 HD2 TYR 5 16.219 0.957 1.939 38 HE1 TYR 5 HE1 TYR 5 13.943 3.613 5.478 39 HE2 TYR 5 HE2 TYR 5 17.517 2.562 3.327 40 HH TYR 5 HH TYR 5 16.025 4.458 5.956 41 H LEU 6 H LEU 6 14.790 -1.588 0.492 42 HA LEU 6 HA LEU 6 13.546 -2.695 -1.863 43 HB2 LEU 6 1HB LEU 6 15.109 -4.050 0.363 44 HB3 LEU 6 2HB LEU 6 14.757 -4.736 -1.209 45 HG LEU 6 HG LEU 6 16.572 -2.374 -0.743 46 HD11 LEU 6 1HD1 LEU 6 17.460 -4.487 0.205 47 HD12 LEU 6 2HD1 LEU 6 18.394 -3.978 -1.220 48 HD13 LEU 6 3HD1 LEU 6 17.207 -5.296 -1.365 49 HD21 LEU 6 1HD2 LEU 6 17.283 -2.756 -3.056 50 HD22 LEU 6 2HD2 LEU 6 15.571 -2.323 -2.974 51 HD23 LEU 6 3HD2 LEU 6 16.043 -4.020 -3.235 52 H ASN 7 H ASN 7 13.120 -3.239 1.629 53 HA ASN 7 HA ASN 7 11.602 -4.394 2.864 54 HB2 ASN 7 1HB ASN 7 9.774 -3.439 0.652 55 HB3 ASN 7 2HB ASN 7 9.212 -4.193 2.149 56 HD21 ASN 7 1HD2 ASN 7 9.912 -0.325 2.123 57 HD22 ASN 7 2HD2 ASN 7 9.717 -1.325 0.706 58 H VAL 8 H VAL 8 13.087 -6.212 1.710 59 HA VAL 8 HA VAL 8 11.205 -8.256 0.610 60 HB VAL 8 HB VAL 8 12.906 -9.118 -0.661 61 HG11 VAL 8 1HG1 VAL 8 14.381 -6.549 0.017 62 HG12 VAL 8 2HG1 VAL 8 14.500 -7.509 -1.473 63 HG13 VAL 8 3HG1 VAL 8 12.997 -6.645 -1.116 64 HG21 VAL 8 1HG2 VAL 8 15.345 -9.111 0.091 65 HG22 VAL 8 2HG2 VAL 8 14.743 -8.547 1.655 66 HG23 VAL 8 3HG2 VAL 8 14.215 -10.113 1.019 67 H LEU 9 H LEU 9 11.508 -10.479 1.586 68 HA LEU 9 HA LEU 9 12.014 -10.168 4.506 69 HB2 LEU 9 1HB LEU 9 10.790 -12.444 2.916 70 HB3 LEU 9 2HB LEU 9 10.969 -12.404 4.667 71 HG LEU 9 HG LEU 9 9.221 -10.537 3.020 72 HD11 LEU 9 1HD1 LEU 9 7.362 -11.769 4.043 73 HD12 LEU 9 2HD1 LEU 9 8.510 -12.822 4.901 74 HD13 LEU 9 3HD1 LEU 9 8.408 -12.866 3.121 75 HD21 LEU 9 1HD2 LEU 9 9.586 -10.772 6.035 76 HD22 LEU 9 2HD2 LEU 9 8.310 -9.831 5.229 77 HD23 LEU 9 3HD2 LEU 9 10.010 -9.372 5.019 78 H ALA 10 H ALA 10 13.560 -11.404 5.589 79 HA ALA 10 HA ALA 10 15.200 -13.264 3.934 80 HB1 ALA 10 1HB ALA 10 16.347 -11.065 5.685 81 HB2 ALA 10 2HB ALA 10 17.271 -12.325 4.826 82 HB3 ALA 10 3HB ALA 10 16.362 -11.126 3.904 83 H LYS 11 H LYS 11 16.066 -14.972 5.080 84 HA LYS 11 HA LYS 11 15.037 -15.279 7.874 85 HB2 LYS 11 1HB LYS 11 14.206 -16.910 6.274 86 HB3 LYS 11 2HB LYS 11 15.842 -17.359 5.808 87 HG2 LYS 11 1HG LYS 11 16.252 -18.267 8.034 88 HG3 LYS 11 2HG LYS 11 14.670 -17.711 8.600 89 HD2 LYS 11 1HD LYS 11 15.073 -19.717 6.354 90 HD3 LYS 11 2HD LYS 11 14.841 -20.157 8.063 91 HE2 LYS 11 1HE LYS 11 12.668 -18.938 8.061 92 HE3 LYS 11 2HE LYS 11 12.874 -18.605 6.328 93 HZ1 LYS 11 1HZ LYS 11 11.498 -20.534 6.668 94 HZ2 LYS 11 2HZ LYS 11 12.659 -21.283 7.558 95 HZ3 LYS 11 3HZ LYS 11 12.903 -20.995 5.943 96 H ALA 12 H ALA 12 16.351 -15.760 9.514 97 HA ALA 12 HA ALA 12 19.242 -15.519 9.210 98 HB1 ALA 12 1HB ALA 12 18.055 -14.680 11.188 99 HB2 ALA 12 2HB ALA 12 17.461 -16.312 11.544 100 HB3 ALA 12 3HB ALA 12 19.198 -15.963 11.653 101 H LEU 13 H LEU 13 20.663 -17.157 8.739 102 HA LEU 13 HA LEU 13 19.663 -19.964 8.837 103 HB2 LEU 13 1HB LEU 13 22.347 -18.835 8.014 104 HB3 LEU 13 2HB LEU 13 21.882 -20.516 7.908 105 HG LEU 13 HG LEU 13 21.688 -19.957 5.775 106 HD11 LEU 13 1HD1 LEU 13 18.976 -18.902 6.612 107 HD12 LEU 13 2HD1 LEU 13 19.406 -20.629 6.478 108 HD13 LEU 13 3HD1 LEU 13 19.430 -19.584 5.040 109 HD21 LEU 13 1HD2 LEU 13 22.417 -17.617 6.259 110 HD22 LEU 13 2HD2 LEU 13 20.690 -17.190 6.368 111 HD23 LEU 13 3HD2 LEU 13 21.375 -17.825 4.854 112 H TYR 14 H TYR 14 21.406 -17.698 10.696 113 HA TYR 14 HA TYR 14 22.218 -19.794 12.622 114 HB2 TYR 14 1HB TYR 14 24.043 -17.590 11.583 115 HB3 TYR 14 2HB TYR 14 24.404 -18.708 12.905 116 HD1 TYR 14 HD1 TYR 14 24.166 -18.309 9.258 117 HD2 TYR 14 HD2 TYR 14 24.863 -21.111 12.439 118 HE1 TYR 14 HE1 TYR 14 25.052 -19.951 7.611 119 HE2 TYR 14 HE2 TYR 14 25.795 -22.733 10.805 120 HH TYR 14 HH TYR 14 26.325 -23.146 8.625 121 H ASP 15 H ASP 15 22.673 -18.846 14.721 122 HA ASP 15 HA ASP 15 20.783 -16.754 15.352 123 HB2 ASP 15 1HB ASP 15 22.947 -18.045 17.049 124 HB3 ASP 15 2HB ASP 15 21.529 -17.168 17.650 125 H ASN 16 H ASN 16 21.288 -14.704 16.342 126 HA ASN 16 HA ASN 16 24.106 -13.796 15.929 127 HB2 ASN 16 1HB ASN 16 22.598 -13.226 13.912 128 HB3 ASN 16 2HB ASN 16 21.819 -12.068 14.991 129 HD21 ASN 16 1HD2 ASN 16 24.302 -9.665 14.507 130 HD22 ASN 16 2HD2 ASN 16 22.633 -10.059 14.901 131 H VAL 17 H VAL 17 24.880 -12.529 17.454 132 HA VAL 17 HA VAL 17 22.958 -11.282 19.355 133 HB VAL 17 HB VAL 17 25.875 -12.105 19.785 134 HG11 VAL 17 1HG1 VAL 17 25.314 -10.103 21.086 135 HG12 VAL 17 2HG1 VAL 17 23.837 -10.886 21.706 136 HG13 VAL 17 3HG1 VAL 17 25.445 -11.502 22.169 137 HG21 VAL 17 1HG2 VAL 17 24.407 -14.071 19.712 138 HG22 VAL 17 2HG2 VAL 17 24.927 -13.777 21.382 139 HG23 VAL 17 3HG2 VAL 17 23.282 -13.310 20.862 140 H ALA 18 H ALA 18 22.904 -9.168 19.266 141 HA ALA 18 HA ALA 18 24.525 -7.701 17.376 142 HB1 ALA 18 1HB ALA 18 22.573 -6.801 19.535 143 HB2 ALA 18 2HB ALA 18 23.321 -5.723 18.344 144 HB3 ALA 18 3HB ALA 18 22.232 -7.016 17.794 145 H GLU 19 H GLU 19 26.459 -6.862 17.714 146 HA GLU 19 HA GLU 19 27.417 -6.601 20.557 147 HB2 GLU 19 1HB GLU 19 28.919 -7.090 17.953 148 HB3 GLU 19 2HB GLU 19 29.687 -6.811 19.524 149 HG2 GLU 19 1HG GLU 19 28.569 -8.776 20.450 150 HG3 GLU 19 2HG GLU 19 27.807 -9.092 18.889 151 H SER 20 H SER 20 26.669 -5.008 17.618 152 HA SER 20 HA SER 20 28.004 -2.487 18.557 153 HB2 SER 20 1HB SER 20 26.981 -3.302 15.804 154 HB3 SER 20 2HB SER 20 27.769 -1.758 16.208 155 HG SER 20 HG SER 20 29.025 -4.200 16.834 156 HA PRO 21 HA PRO 21 24.016 -0.989 19.505 157 HB2 PRO 21 1HB PRO 21 24.220 1.701 19.003 158 HB3 PRO 21 2HB PRO 21 25.077 0.897 20.356 159 HG2 PRO 21 1HG PRO 21 26.120 1.594 17.618 160 HG3 PRO 21 2HG PRO 21 26.849 1.913 19.216 161 HD2 PRO 21 1HD PRO 21 27.629 -0.154 17.740 162 HD3 PRO 21 2HD PRO 21 27.495 -0.276 19.524 163 H ASP 22 H ASP 22 25.243 -0.653 16.287 164 HA ASP 22 HA ASP 22 22.724 0.305 15.122 165 HB2 ASP 22 1HB ASP 22 25.496 -0.387 14.153 166 HB3 ASP 22 2HB ASP 22 24.158 -0.438 12.996 167 H GLU 23 H GLU 23 23.932 -2.687 16.247 168 HA GLU 23 HA GLU 23 23.018 -4.184 13.899 169 HB2 GLU 23 1HB GLU 23 25.242 -4.485 15.065 170 HB3 GLU 23 2HB GLU 23 24.358 -5.218 16.406 171 HG2 GLU 23 1HG GLU 23 23.507 -6.954 14.863 172 HG3 GLU 23 2HG GLU 23 24.403 -6.205 13.542 173 H LEU 24 H LEU 24 21.550 -5.852 13.877 174 HA LEU 24 HA LEU 24 19.558 -5.821 16.089 175 HB2 LEU 24 1HB LEU 24 19.574 -7.144 13.362 176 HB3 LEU 24 2HB LEU 24 18.307 -7.387 14.553 177 HG LEU 24 HG LEU 24 19.000 -4.767 13.202 178 HD11 LEU 24 1HD1 LEU 24 17.895 -6.261 11.690 179 HD12 LEU 24 2HD1 LEU 24 16.691 -5.086 12.239 180 HD13 LEU 24 3HD1 LEU 24 16.707 -6.729 12.919 181 HD21 LEU 24 1HD2 LEU 24 16.922 -5.457 15.315 182 HD22 LEU 24 2HD2 LEU 24 16.865 -3.991 14.313 183 HD23 LEU 24 3HD2 LEU 24 18.236 -4.247 15.412 184 H SER 25 H SER 25 18.967 -7.574 17.249 185 HA SER 25 HA SER 25 20.844 -9.890 17.218 186 HB2 SER 25 1HB SER 25 20.814 -8.474 19.315 187 HB3 SER 25 2HB SER 25 19.099 -8.881 19.498 188 HG SER 25 HG SER 25 20.330 -10.307 20.704 189 H PHE 26 H PHE 26 19.955 -11.786 16.682 190 HA PHE 26 HA PHE 26 17.084 -12.333 17.025 191 HB2 PHE 26 1HB PHE 26 16.730 -12.884 14.634 192 HB3 PHE 26 2HB PHE 26 16.945 -11.166 14.919 193 HD1 PHE 26 HD1 PHE 26 18.798 -14.231 13.796 194 HD2 PHE 26 HD2 PHE 26 18.535 -9.939 13.730 195 HE1 PHE 26 HE1 PHE 26 20.531 -14.154 12.012 196 HE2 PHE 26 HE2 PHE 26 20.230 -9.858 11.951 197 HZ PHE 26 HZ PHE 26 21.213 -11.973 11.042 198 H ARG 27 H ARG 27 16.681 -14.627 15.986 199 HA ARG 27 HA ARG 27 19.206 -16.173 16.433 200 HB2 ARG 27 1HB ARG 27 18.160 -17.611 17.907 201 HB3 ARG 27 2HB ARG 27 17.546 -16.026 18.356 202 HG2 ARG 27 1HG ARG 27 15.536 -16.974 18.310 203 HG3 ARG 27 2HG ARG 27 15.673 -16.920 16.531 204 HD2 ARG 27 1HD ARG 27 16.981 -19.047 16.677 205 HD3 ARG 27 2HD ARG 27 16.513 -19.138 18.384 206 HE ARG 27 HE ARG 27 14.152 -18.733 16.887 207 HH11 ARG 27 1HH1 ARG 27 16.609 -21.255 17.145 208 HH12 ARG 27 2HH1 ARG 27 15.496 -22.521 16.692 209 HH21 ARG 27 1HH2 ARG 27 12.792 -20.392 16.317 210 HH22 ARG 27 2HH2 ARG 27 13.369 -22.035 16.228 211 H LYS 28 H LYS 28 18.980 -18.514 15.645 212 HA LYS 28 HA LYS 28 18.687 -18.407 12.821 213 HB2 LYS 28 1HB LYS 28 20.080 -20.032 14.024 214 HB3 LYS 28 2HB LYS 28 18.647 -20.790 14.719 215 HG2 LYS 28 1HG LYS 28 17.935 -21.576 12.539 216 HG3 LYS 28 2HG LYS 28 19.257 -20.704 11.746 217 HD2 LYS 28 1HD LYS 28 20.904 -22.045 12.994 218 HD3 LYS 28 2HD LYS 28 19.596 -22.910 13.811 219 HE2 LYS 28 1HE LYS 28 18.820 -23.765 11.600 220 HE3 LYS 28 2HE LYS 28 20.190 -22.932 10.833 221 HZ1 LYS 28 1HZ LYS 28 20.402 -25.099 12.855 222 HZ2 LYS 28 2HZ LYS 28 21.686 -24.291 12.210 223 HZ3 LYS 28 3HZ LYS 28 20.756 -25.242 11.255 224 H GLY 29 H GLY 29 17.071 -18.556 11.465 225 HA2 GLY 29 1HA GLY 29 15.090 -19.575 10.655 226 HA3 GLY 29 2HA GLY 29 14.580 -19.948 12.304 227 H ASP 30 H ASP 30 15.528 -16.905 12.774 228 HA ASP 30 HA ASP 30 12.833 -15.884 12.740 229 HB2 ASP 30 1HB ASP 30 15.553 -14.610 13.188 230 HB3 ASP 30 2HB ASP 30 14.054 -13.684 13.243 231 H ILE 31 H ILE 31 12.038 -14.057 11.594 232 HA ILE 31 HA ILE 31 13.266 -13.704 8.895 233 HB ILE 31 HB ILE 31 10.315 -13.535 9.688 234 HG12 ILE 31 1HG1 ILE 31 11.026 -15.859 9.651 235 HG13 ILE 31 2HG1 ILE 31 10.002 -15.517 8.265 236 HG21 ILE 31 1HG2 ILE 31 9.979 -13.410 7.148 237 HG22 ILE 31 2HG2 ILE 31 10.685 -11.965 7.903 238 HG23 ILE 31 3HG2 ILE 31 11.727 -13.099 7.014 239 HD11 ILE 31 1HD1 ILE 31 11.695 -16.883 7.457 240 HD12 ILE 31 2HD1 ILE 31 12.165 -15.262 6.919 241 HD13 ILE 31 3HD1 ILE 31 12.963 -16.000 8.328 242 H MET 32 H MET 32 13.821 -11.692 8.344 243 HA MET 32 HA MET 32 12.582 -9.418 9.845 244 HB2 MET 32 1HB MET 32 14.772 -8.270 9.759 245 HB3 MET 32 2HB MET 32 14.786 -9.717 10.750 246 HG2 MET 32 1HG MET 32 15.620 -10.757 8.382 247 HG3 MET 32 2HG MET 32 16.274 -9.122 8.286 248 HE1 MET 32 1HE MET 32 15.610 -11.685 11.412 249 HE2 MET 32 2HE MET 32 16.229 -12.614 10.022 250 HE3 MET 32 3HE MET 32 17.235 -12.393 11.473 251 H THR 33 H THR 33 12.643 -7.410 8.711 252 HA THR 33 HA THR 33 12.210 -7.842 5.792 253 HB THR 33 HB THR 33 11.691 -5.420 7.572 254 HG1 THR 33 HG1 THR 33 10.278 -7.042 8.095 255 HG21 THR 33 1HG2 THR 33 11.980 -4.680 5.310 256 HG22 THR 33 2HG2 THR 33 10.240 -4.707 5.659 257 HG23 THR 33 3HG2 THR 33 10.961 -6.011 4.686 258 H VAL 34 H VAL 34 13.929 -7.508 4.467 259 HA VAL 34 HA VAL 34 16.204 -5.892 5.388 260 HB VAL 34 HB VAL 34 15.727 -7.122 2.669 261 HG11 VAL 34 1HG1 VAL 34 18.267 -6.153 4.040 262 HG12 VAL 34 2HG1 VAL 34 18.221 -7.051 2.503 263 HG13 VAL 34 3HG1 VAL 34 17.493 -5.437 2.611 264 HG21 VAL 34 1HG2 VAL 34 15.618 -8.903 4.226 265 HG22 VAL 34 2HG2 VAL 34 17.256 -8.919 3.560 266 HG23 VAL 34 3HG2 VAL 34 16.980 -8.245 5.174 267 H LEU 35 H LEU 35 16.414 -3.833 5.091 268 HA LEU 35 HA LEU 35 14.469 -2.445 3.352 269 HB2 LEU 35 1HB LEU 35 16.458 -1.471 5.418 270 HB3 LEU 35 2HB LEU 35 15.299 -0.453 4.573 271 HG LEU 35 HG LEU 35 14.541 -2.767 6.393 272 HD11 LEU 35 1HD1 LEU 35 14.731 0.198 6.886 273 HD12 LEU 35 2HD1 LEU 35 15.635 -1.113 7.680 274 HD13 LEU 35 3HD1 LEU 35 13.891 -0.953 7.949 275 HD21 LEU 35 1HD2 LEU 35 12.881 -0.535 5.162 276 HD22 LEU 35 2HD2 LEU 35 12.303 -1.698 6.373 277 HD23 LEU 35 3HD2 LEU 35 12.788 -2.269 4.769 278 H GLU 36 H GLU 36 18.013 -2.670 3.969 279 HA GLU 36 HA GLU 36 18.406 -2.410 1.076 280 HB2 GLU 36 1HB GLU 36 19.744 -0.499 1.003 281 HB3 GLU 36 2HB GLU 36 18.334 -0.057 1.950 282 HG2 GLU 36 1HG GLU 36 19.659 -0.351 3.974 283 HG3 GLU 36 2HG GLU 36 21.067 -0.602 2.937 284 H ARG 37 H ARG 37 20.908 -2.545 0.625 285 HA ARG 37 HA ARG 37 22.122 -4.380 2.662 286 HB2 ARG 37 1HB ARG 37 22.191 -4.657 -0.358 287 HB3 ARG 37 2HB ARG 37 23.031 -5.697 0.792 288 HG2 ARG 37 1HG ARG 37 20.736 -6.307 1.726 289 HG3 ARG 37 2HG ARG 37 20.053 -5.475 0.323 290 HD2 ARG 37 1HD ARG 37 21.894 -7.869 0.324 291 HD3 ARG 37 2HD ARG 37 20.209 -7.824 -0.212 292 HE ARG 37 HE ARG 37 21.558 -5.933 -1.766 293 HH11 ARG 37 1HH1 ARG 37 21.892 -9.411 -1.261 294 HH12 ARG 37 2HH1 ARG 37 22.569 -9.668 -2.849 295 HH21 ARG 37 1HH2 ARG 37 22.424 -6.329 -3.756 296 HH22 ARG 37 2HH2 ARG 37 22.866 -7.942 -4.240 297 H ASP 38 H ASP 38 24.388 -4.273 2.725 298 HA ASP 38 HA ASP 38 26.372 -3.202 2.755 299 HB2 ASP 38 1HB ASP 38 25.673 -2.353 -0.064 300 HB3 ASP 38 2HB ASP 38 27.289 -2.505 0.640 301 H THR 39 H THR 39 24.172 -2.107 3.861 302 HA THR 39 HA THR 39 23.567 0.602 3.249 303 HB THR 39 HB THR 39 22.067 -0.746 4.598 304 HG1 THR 39 HG1 THR 39 21.947 1.413 5.086 305 HG21 THR 39 1HG2 THR 39 22.618 -1.301 6.926 306 HG22 THR 39 2HG2 THR 39 24.317 -0.941 6.566 307 HG23 THR 39 3HG2 THR 39 23.470 -2.246 5.701 308 H GLN 40 H GLN 40 24.228 2.524 4.100 309 HA GLN 40 HA GLN 40 25.732 4.065 4.817 310 HB2 GLN 40 1HB GLN 40 26.692 2.234 6.990 311 HB3 GLN 40 2HB GLN 40 26.515 3.982 7.000 312 HG2 GLN 40 1HG GLN 40 23.969 3.494 6.773 313 HG3 GLN 40 2HG GLN 40 24.397 1.855 7.276 314 HE21 GLN 40 1HE2 GLN 40 24.467 2.676 10.659 315 HE22 GLN 40 2HE2 GLN 40 24.368 1.468 9.397 316 H GLY 41 H GLY 41 26.719 1.619 3.076 317 HA2 GLY 41 1HA GLY 41 28.704 1.424 1.866 318 HA3 GLY 41 2HA GLY 41 29.494 2.566 2.965 319 H LEU 42 H LEU 42 27.729 0.102 4.585 320 HA LEU 42 HA LEU 42 30.273 -1.098 5.471 321 HB2 LEU 42 1HB LEU 42 27.407 -1.528 6.344 322 HB3 LEU 42 2HB LEU 42 28.832 -2.157 7.167 323 HG LEU 42 HG LEU 42 28.254 0.803 6.831 324 HD11 LEU 42 1HD1 LEU 42 27.512 0.717 9.189 325 HD12 LEU 42 2HD1 LEU 42 27.625 -1.058 9.141 326 HD13 LEU 42 3HD1 LEU 42 26.460 -0.202 8.094 327 HD21 LEU 42 1HD2 LEU 42 30.571 0.314 7.259 328 HD22 LEU 42 2HD2 LEU 42 30.129 -0.766 8.600 329 HD23 LEU 42 3HD2 LEU 42 29.829 0.980 8.727 330 H ASP 43 H ASP 43 30.928 -2.373 3.769 331 HA ASP 43 HA ASP 43 29.273 -3.925 2.107 332 HB2 ASP 43 1HB ASP 43 32.166 -4.217 2.962 333 HB3 ASP 43 2HB ASP 43 31.404 -5.400 1.891 334 H GLY 44 H GLY 44 28.141 -5.730 2.308 335 HA2 GLY 44 1HA GLY 44 27.709 -7.908 3.066 336 HA3 GLY 44 2HA GLY 44 29.008 -7.774 4.249 337 H TRP 45 H TRP 45 27.512 -5.039 5.033 338 HA TRP 45 HA TRP 45 25.793 -6.368 7.038 339 HB2 TRP 45 1HB TRP 45 26.904 -3.602 6.600 340 HB3 TRP 45 2HB TRP 45 25.688 -3.908 7.811 341 HD1 TRP 45 HD1 TRP 45 29.381 -4.086 7.283 342 HE1 TRP 45 HE1 TRP 45 30.584 -5.066 9.291 343 HE3 TRP 45 HE3 TRP 45 25.272 -5.898 9.677 344 HZ2 TRP 45 HZ2 TRP 45 29.826 -6.548 11.649 345 HZ3 TRP 45 HZ3 TRP 45 25.559 -7.086 11.842 346 HH2 TRP 45 HH2 TRP 45 27.805 -7.423 12.803 347 H TRP 46 H TRP 46 23.613 -6.377 6.864 348 HA TRP 46 HA TRP 46 22.433 -4.724 4.659 349 HB2 TRP 46 1HB TRP 46 21.572 -7.407 5.799 350 HB3 TRP 46 2HB TRP 46 20.697 -6.500 4.554 351 HD1 TRP 46 HD1 TRP 46 24.077 -5.942 3.480 352 HE1 TRP 46 HE1 TRP 46 24.943 -7.583 1.768 353 HE3 TRP 46 HE3 TRP 46 20.552 -9.570 4.192 354 HZ2 TRP 46 HZ2 TRP 46 24.213 -10.194 0.827 355 HZ3 TRP 46 HZ3 TRP 46 20.708 -11.669 2.861 356 HH2 TRP 46 HH2 TRP 46 22.511 -11.965 1.177 357 H LEU 47 H LEU 47 20.919 -3.246 5.207 358 HA LEU 47 HA LEU 47 20.239 -2.863 8.029 359 HB2 LEU 47 1HB LEU 47 20.544 -0.971 6.457 360 HB3 LEU 47 2HB LEU 47 19.220 -1.571 5.479 361 HG LEU 47 HG LEU 47 17.644 -1.071 7.265 362 HD11 LEU 47 1HD1 LEU 47 18.390 0.275 9.225 363 HD12 LEU 47 2HD1 LEU 47 20.074 -0.061 8.765 364 HD13 LEU 47 3HD1 LEU 47 18.986 -1.391 9.230 365 HD21 LEU 47 1HD2 LEU 47 17.787 1.383 7.148 366 HD22 LEU 47 2HD2 LEU 47 18.148 0.646 5.574 367 HD23 LEU 47 3HD2 LEU 47 19.476 1.261 6.592 368 H CYS 48 H CYS 48 18.641 -3.929 9.022 369 HA CYS 48 HA CYS 48 16.273 -4.664 7.371 370 HB2 CYS 48 1HB CYS 48 17.466 -6.517 9.469 371 HB3 CYS 48 2HB CYS 48 16.174 -6.865 8.331 372 HG CYS 48 HG CYS 48 19.375 -6.276 7.711 373 H SER 49 H SER 49 14.452 -5.389 8.770 374 HA SER 49 HA SER 49 14.424 -3.863 11.334 375 HB2 SER 49 1HB SER 49 12.693 -2.617 10.662 376 HB3 SER 49 2HB SER 49 13.102 -3.110 9.028 377 HG SER 49 HG SER 49 10.944 -3.548 9.382 378 H LEU 50 H LEU 50 13.750 -4.965 13.012 379 HA LEU 50 HA LEU 50 12.139 -7.439 12.708 380 HB2 LEU 50 1HB LEU 50 14.530 -8.116 12.452 381 HB3 LEU 50 2HB LEU 50 14.892 -7.318 13.983 382 HG LEU 50 HG LEU 50 12.839 -9.112 14.614 383 HD11 LEU 50 1HD1 LEU 50 13.506 -11.224 13.811 384 HD12 LEU 50 2HD1 LEU 50 14.888 -10.514 12.939 385 HD13 LEU 50 3HD1 LEU 50 13.224 -10.158 12.416 386 HD21 LEU 50 1HD2 LEU 50 14.666 -10.271 15.824 387 HD22 LEU 50 2HD2 LEU 50 14.708 -8.508 16.028 388 HD23 LEU 50 3HD2 LEU 50 15.847 -9.298 14.917 389 H HIS 51 H HIS 51 10.827 -7.658 14.501 390 HA HIS 51 HA HIS 51 9.766 -7.116 16.458 391 HB2 HIS 51 1HB HIS 51 12.583 -6.588 17.468 392 HB3 HIS 51 2HB HIS 51 11.149 -6.812 18.472 393 HD1 HIS 51 HD1 HIS 51 13.575 -8.721 18.786 394 HD2 HIS 51 HD2 HIS 51 10.294 -9.466 16.327 395 HE1 HIS 51 HE1 HIS 51 13.450 -11.227 18.459 396 H GLY 52 H GLY 52 10.174 -4.925 14.496 397 HA2 GLY 52 1HA GLY 52 9.513 -2.708 14.440 398 HA3 GLY 52 2HA GLY 52 9.272 -2.768 16.194 399 H ARG 53 H ARG 53 12.420 -3.779 15.212 400 HA ARG 53 HA ARG 53 13.518 -1.065 15.852 401 HB2 ARG 53 1HB ARG 53 13.787 -3.345 17.382 402 HB3 ARG 53 2HB ARG 53 15.175 -3.502 16.317 403 HG2 ARG 53 1HG ARG 53 14.774 -0.843 17.659 404 HG3 ARG 53 2HG ARG 53 15.251 -2.209 18.677 405 HD2 ARG 53 1HD ARG 53 17.159 -2.660 17.105 406 HD3 ARG 53 2HD ARG 53 16.754 -1.169 16.249 407 HE ARG 53 HE ARG 53 17.937 -1.429 18.945 408 HH11 ARG 53 1HH1 ARG 53 16.775 0.783 16.440 409 HH12 ARG 53 2HH1 ARG 53 17.520 2.157 17.200 410 HH21 ARG 53 1HH2 ARG 53 18.859 0.385 19.833 411 HH22 ARG 53 2HH2 ARG 53 18.684 1.935 19.064 412 H GLN 54 H GLN 54 15.309 -0.506 14.582 413 HA GLN 54 HA GLN 54 15.652 -2.148 12.112 414 HB2 GLN 54 1HB GLN 54 15.070 0.652 12.563 415 HB3 GLN 54 2HB GLN 54 16.627 0.475 11.743 416 HG2 GLN 54 1HG GLN 54 15.559 -0.877 10.020 417 HG3 GLN 54 2HG GLN 54 14.000 -0.713 10.847 418 HE21 GLN 54 1HE2 GLN 54 15.598 2.692 9.164 419 HE22 GLN 54 2HE2 GLN 54 16.649 1.535 9.937 420 H GLY 55 H GLY 55 17.769 -2.527 11.388 421 HA2 GLY 55 1HA GLY 55 20.037 -1.152 12.405 422 HA3 GLY 55 2HA GLY 55 19.796 -2.606 13.378 423 H ILE 56 H ILE 56 22.125 -2.494 12.106 424 HA ILE 56 HA ILE 56 21.917 -3.709 9.439 425 HB ILE 56 HB ILE 56 24.374 -3.737 9.443 426 HG12 ILE 56 1HG1 ILE 56 24.128 -2.819 12.344 427 HG13 ILE 56 2HG1 ILE 56 24.687 -4.399 11.820 428 HG21 ILE 56 1HG2 ILE 56 23.481 -1.091 10.692 429 HG22 ILE 56 2HG2 ILE 56 24.732 -1.363 9.461 430 HG23 ILE 56 3HG2 ILE 56 23.024 -1.591 9.052 431 HD11 ILE 56 1HD1 ILE 56 26.072 -1.722 11.494 432 HD12 ILE 56 2HD1 ILE 56 26.622 -3.152 12.386 433 HD13 ILE 56 3HD1 ILE 56 26.578 -3.178 10.610 434 H VAL 57 H VAL 57 22.809 -5.739 8.913 435 HA VAL 57 HA VAL 57 22.893 -7.764 11.107 436 HB VAL 57 HB VAL 57 21.259 -7.896 8.566 437 HG11 VAL 57 1HG1 VAL 57 20.429 -10.062 9.454 438 HG12 VAL 57 2HG1 VAL 57 22.097 -10.049 8.841 439 HG13 VAL 57 3HG1 VAL 57 21.785 -9.991 10.587 440 HG21 VAL 57 1HG2 VAL 57 19.302 -8.155 10.143 441 HG22 VAL 57 2HG2 VAL 57 20.428 -7.729 11.460 442 HG23 VAL 57 3HG2 VAL 57 20.080 -6.557 10.175 443 HA PRO 58 HA PRO 58 26.235 -8.975 8.390 444 HB2 PRO 58 1HB PRO 58 26.809 -11.467 9.372 445 HB3 PRO 58 2HB PRO 58 27.213 -9.957 10.258 446 HG2 PRO 58 1HG PRO 58 24.853 -11.777 10.643 447 HG3 PRO 58 2HG PRO 58 25.977 -11.104 11.866 448 HD2 PRO 58 1HD PRO 58 23.551 -9.987 11.310 449 HD3 PRO 58 2HD PRO 58 24.957 -9.005 11.789 450 H GLY 59 H GLY 59 25.554 -9.303 6.319 451 HA2 GLY 59 1HA GLY 59 23.412 -10.972 5.534 452 HA3 GLY 59 2HA GLY 59 24.716 -10.392 4.486 453 H ASN 60 H ASN 60 26.703 -11.773 6.314 454 HA ASN 60 HA ASN 60 26.925 -14.218 4.867 455 HB2 ASN 60 1HB ASN 60 28.701 -12.772 6.122 456 HB3 ASN 60 2HB ASN 60 28.248 -13.738 7.536 457 HD21 ASN 60 1HD2 ASN 60 30.919 -15.746 6.403 458 HD22 ASN 60 2HD2 ASN 60 30.444 -14.485 7.526 459 H ARG 61 H ARG 61 24.977 -13.436 7.610 460 HA ARG 61 HA ARG 61 24.601 -16.367 8.189 461 HB2 ARG 61 1HB ARG 61 24.131 -13.932 9.963 462 HB3 ARG 61 2HB ARG 61 23.718 -15.597 10.393 463 HG2 ARG 61 1HG ARG 61 26.089 -16.226 10.250 464 HG3 ARG 61 2HG ARG 61 26.517 -14.543 9.874 465 HD2 ARG 61 1HD ARG 61 25.597 -13.811 12.031 466 HD3 ARG 61 2HD ARG 61 25.080 -15.474 12.383 467 HE ARG 61 HE ARG 61 27.870 -15.494 11.816 468 HH11 ARG 61 1HH1 ARG 61 25.700 -14.375 14.391 469 HH12 ARG 61 2HH1 ARG 61 26.938 -14.542 15.603 470 HH21 ARG 61 1HH2 ARG 61 29.352 -15.681 13.394 471 HH22 ARG 61 2HH2 ARG 61 28.978 -15.254 15.050 472 H LEU 62 H LEU 62 23.340 -14.126 6.268 473 HA LEU 62 HA LEU 62 20.519 -14.735 7.043 474 HB2 LEU 62 1HB LEU 62 21.579 -12.303 7.304 475 HB3 LEU 62 2HB LEU 62 21.232 -12.232 5.577 476 HG LEU 62 HG LEU 62 18.866 -12.794 6.096 477 HD11 LEU 62 1HD1 LEU 62 17.975 -12.485 8.274 478 HD12 LEU 62 2HD1 LEU 62 19.607 -12.199 8.937 479 HD13 LEU 62 3HD1 LEU 62 19.166 -13.783 8.283 480 HD21 LEU 62 1HD2 LEU 62 20.085 -10.285 7.243 481 HD22 LEU 62 2HD2 LEU 62 18.341 -10.504 6.997 482 HD23 LEU 62 3HD2 LEU 62 19.436 -10.538 5.605 483 H LYS 63 H LYS 63 19.052 -15.163 5.471 484 HA LYS 63 HA LYS 63 20.138 -15.311 2.681 485 HB2 LYS 63 1HB LYS 63 19.816 -17.559 3.586 486 HB3 LYS 63 2HB LYS 63 18.162 -17.168 4.047 487 HG2 LYS 63 1HG LYS 63 17.612 -16.828 1.653 488 HG3 LYS 63 2HG LYS 63 19.262 -17.295 1.213 489 HD2 LYS 63 1HD LYS 63 17.392 -19.066 2.801 490 HD3 LYS 63 2HD LYS 63 17.465 -19.052 1.039 491 HE2 LYS 63 1HE LYS 63 19.888 -19.575 1.163 492 HE3 LYS 63 2HE LYS 63 19.701 -19.777 2.923 493 HZ1 LYS 63 1HZ LYS 63 18.058 -21.497 2.492 494 HZ2 LYS 63 2HZ LYS 63 19.449 -21.883 1.699 495 HZ3 LYS 63 3HZ LYS 63 18.163 -21.265 0.860 496 H ILE 64 H ILE 64 19.209 -13.986 1.365 497 HA ILE 64 HA ILE 64 16.748 -12.630 1.958 498 HB ILE 64 HB ILE 64 18.184 -13.046 -0.703 499 HG12 ILE 64 1HG1 ILE 64 19.648 -12.000 0.927 500 HG13 ILE 64 2HG1 ILE 64 19.187 -10.852 -0.320 501 HG21 ILE 64 1HG2 ILE 64 15.941 -11.243 0.148 502 HG22 ILE 64 2HG2 ILE 64 16.990 -10.821 -1.218 503 HG23 ILE 64 3HG2 ILE 64 16.030 -12.315 -1.263 504 HD11 ILE 64 1HD1 ILE 64 17.419 -9.964 1.364 505 HD12 ILE 64 2HD1 ILE 64 18.275 -10.937 2.586 506 HD13 ILE 64 3HD1 ILE 64 19.116 -9.629 1.730 507 H LEU 65 H LEU 65 14.754 -13.379 1.785 508 HA LEU 65 HA LEU 65 14.302 -15.908 0.290 509 HB2 LEU 65 1HB LEU 65 12.398 -14.287 2.020 510 HB3 LEU 65 2HB LEU 65 12.117 -15.906 1.378 511 HG LEU 65 HG LEU 65 14.183 -15.130 3.471 512 HD11 LEU 65 1HD1 LEU 65 11.874 -15.023 4.241 513 HD12 LEU 65 2HD1 LEU 65 12.717 -16.386 4.978 514 HD13 LEU 65 3HD1 LEU 65 11.576 -16.674 3.646 515 HD21 LEU 65 1HD2 LEU 65 15.049 -17.031 2.196 516 HD22 LEU 65 2HD2 LEU 65 13.485 -17.868 2.333 517 HD23 LEU 65 3HD2 LEU 65 14.480 -17.586 3.775 518 H VAL 66 H VAL 66 14.500 -15.190 -1.775 519 HA VAL 66 HA VAL 66 13.573 -12.707 -2.757 520 HB VAL 66 HB VAL 66 13.868 -13.794 -5.033 521 HG11 VAL 66 1HG1 VAL 66 16.140 -14.209 -3.037 522 HG12 VAL 66 2HG1 VAL 66 16.305 -14.080 -4.805 523 HG13 VAL 66 3HG1 VAL 66 15.742 -12.692 -3.864 524 HG21 VAL 66 1HG2 VAL 66 14.840 -16.245 -3.479 525 HG22 VAL 66 2HG2 VAL 66 13.209 -16.148 -4.171 526 HG23 VAL 66 3HG2 VAL 66 14.629 -16.066 -5.229 527 H GLY 67 H GLY 67 11.638 -15.403 -1.977 528 HA2 GLY 67 1HA GLY 67 9.350 -15.638 -2.171 529 HA3 GLY 67 2HA GLY 67 9.293 -14.097 -3.038 530 H MET 68 H MET 68 11.494 -15.654 -4.759 531 HA MET 68 HA MET 68 9.465 -16.627 -6.693 532 HB2 MET 68 1HB MET 68 12.343 -15.716 -7.039 533 HB3 MET 68 2HB MET 68 11.294 -16.237 -8.357 534 HG2 MET 68 1HG MET 68 10.711 -13.870 -6.538 535 HG3 MET 68 2HG MET 68 11.534 -13.750 -8.100 536 HE1 MET 68 1HE MET 68 10.102 -15.529 -10.179 537 HE2 MET 68 2HE MET 68 8.784 -14.469 -10.728 538 HE3 MET 68 3HE MET 68 10.404 -13.791 -10.407 539 H TYR 69 H TYR 69 12.812 -17.475 -5.631 540 HA TYR 69 HA TYR 69 12.217 -20.308 -6.338 541 HB2 TYR 69 1HB TYR 69 14.491 -20.352 -7.475 542 HB3 TYR 69 2HB TYR 69 13.218 -19.468 -8.307 543 HD1 TYR 69 HD1 TYR 69 16.247 -18.955 -6.124 544 HD2 TYR 69 HD2 TYR 69 13.483 -17.185 -8.901 545 HE1 TYR 69 HE1 TYR 69 17.664 -16.899 -6.226 546 HE2 TYR 69 HE2 TYR 69 14.910 -15.137 -9.001 547 HH TYR 69 HH TYR 69 16.800 -14.100 -8.270 548 H ASP 70 H ASP 70 12.501 -19.077 -3.667 549 HA ASP 70 HA ASP 70 15.119 -19.639 -2.636 550 HB2 ASP 70 1HB ASP 70 13.433 -18.309 -1.381 551 HB3 ASP 70 2HB ASP 70 12.469 -19.781 -1.163 552 H LYS 71 H LYS 71 16.039 -21.427 -1.806 553 HA LYS 71 HA LYS 71 14.972 -23.974 -2.709 554 HB2 LYS 71 1HB LYS 71 17.440 -23.284 -2.625 555 HB3 LYS 71 2HB LYS 71 17.358 -23.500 -0.880 556 HG2 LYS 71 1HG LYS 71 18.312 -25.488 -1.784 557 HG3 LYS 71 2HG LYS 71 16.657 -25.916 -1.315 558 HD2 LYS 71 1HD LYS 71 15.923 -25.663 -3.676 559 HD3 LYS 71 2HD LYS 71 17.570 -25.204 -4.142 560 HE2 LYS 71 1HE LYS 71 16.776 -27.877 -2.924 561 HE3 LYS 71 2HE LYS 71 17.032 -27.581 -4.656 562 HZ1 LYS 71 1HZ LYS 71 19.334 -27.007 -4.146 563 HZ2 LYS 71 2HZ LYS 71 18.990 -28.539 -3.632 564 HZ3 LYS 71 3HZ LYS 71 19.098 -27.308 -2.544 565 H LYS 72 H LYS 72 13.310 -24.834 -1.673 566 HA LYS 72 HA LYS 72 12.469 -24.195 0.927 567 HB2 LYS 72 1HB LYS 72 11.961 -26.732 -0.681 568 HB3 LYS 72 2HB LYS 72 11.048 -26.236 0.753 569 HG2 LYS 72 1HG LYS 72 10.292 -24.201 -0.418 570 HG3 LYS 72 2HG LYS 72 11.194 -24.694 -1.860 571 HD2 LYS 72 1HD LYS 72 9.836 -26.771 -1.996 572 HD3 LYS 72 2HD LYS 72 8.899 -26.235 -0.581 573 HE2 LYS 72 1HE LYS 72 8.207 -24.197 -1.828 574 HE3 LYS 72 2HE LYS 72 9.126 -24.754 -3.239 575 HZ1 LYS 72 1HZ LYS 72 7.664 -26.693 -3.347 576 HZ2 LYS 72 2HZ LYS 72 6.776 -25.303 -3.435 577 HZ3 LYS 72 3HZ LYS 72 6.808 -26.173 -2.035 578 HA PRO 73 HA PRO 73 15.253 -26.592 3.363 579 HB2 PRO 73 1HB PRO 73 14.010 -26.620 5.776 580 HB3 PRO 73 2HB PRO 73 14.624 -25.096 5.056 581 HG2 PRO 73 1HG PRO 73 11.843 -26.229 4.979 582 HG3 PRO 73 2HG PRO 73 12.381 -24.596 5.487 583 HD2 PRO 73 1HD PRO 73 11.451 -25.098 2.986 584 HD3 PRO 73 2HD PRO 73 12.769 -23.911 3.282 585 H ALA 74 H ALA 74 15.400 -28.579 4.729 586 HA ALA 74 HA ALA 74 13.160 -30.456 4.705 587 HB1 ALA 74 1HB ALA 74 15.765 -31.055 3.198 588 HB2 ALA 74 2HB ALA 74 14.458 -32.222 3.511 589 HB3 ALA 74 3HB ALA 74 14.172 -30.829 2.440 590 H GLY 75 H GLY 75 13.952 -32.434 6.016 591 HA2 GLY 75 1HA GLY 75 16.263 -32.912 7.258 592 HA3 GLY 75 2HA GLY 75 15.733 -31.473 8.156 593 H SER 76 H SER 76 15.987 -33.560 9.736 594 HA SER 76 HA SER 76 13.660 -35.293 9.776 595 HB2 SER 76 1HB SER 76 15.739 -34.698 11.907 596 HB3 SER 76 2HB SER 76 14.597 -36.055 11.919 597 HG SER 76 HG SER 76 16.758 -36.520 11.087 598 H GLY 77 H GLY 77 11.744 -34.992 10.845 599 HA2 GLY 77 1HA GLY 77 11.033 -32.374 11.675 600 HA3 GLY 77 2HA GLY 77 10.082 -33.838 11.951 601 H GLY 78 H GLY 78 12.312 -35.095 13.526 602 HA2 GLY 78 1HA GLY 78 11.548 -33.973 16.099 603 HA3 GLY 78 2HA GLY 78 12.649 -35.331 15.814 604 H SER 79 H SER 79 13.932 -33.152 13.825 605 HA SER 79 HA SER 79 15.815 -32.163 15.919 606 HB2 SER 79 1HB SER 79 16.204 -32.424 12.915 607 HB3 SER 79 2HB SER 79 17.452 -32.057 14.128 608 HG SER 79 HG SER 79 17.260 -34.107 14.927 609 H GLY 80 H GLY 80 13.276 -30.869 15.436 610 HA2 GLY 80 1HA GLY 80 13.601 -28.684 13.607 611 HA3 GLY 80 2HA GLY 80 12.368 -28.843 14.859 612 H SER 81 H SER 81 15.077 -29.124 16.644 613 HA SER 81 HA SER 81 15.667 -26.222 16.793 614 HB2 SER 81 1HB SER 81 14.790 -27.946 19.148 615 HB3 SER 81 2HB SER 81 15.368 -26.269 19.243 616 HG SER 81 HG SER 81 13.012 -26.633 19.186 617 H GLY 82 H GLY 82 17.663 -25.770 17.873 618 HA2 GLY 82 1HA GLY 82 19.590 -26.441 19.102 619 HA3 GLY 82 2HA GLY 82 19.301 -28.120 18.630 620 H LEU 83 H LEU 83 21.757 -27.530 18.366 621 HA LEU 83 HA LEU 83 22.228 -27.235 15.447 622 HB2 LEU 83 1HB LEU 83 23.771 -25.845 17.682 623 HB3 LEU 83 2HB LEU 83 24.338 -25.969 16.025 624 HG LEU 83 HG LEU 83 21.838 -24.467 16.858 625 HD11 LEU 83 1HD1 LEU 83 24.629 -23.419 16.231 626 HD12 LEU 83 2HD1 LEU 83 23.884 -23.482 17.842 627 HD13 LEU 83 3HD1 LEU 83 23.187 -22.434 16.592 628 HD21 LEU 83 1HD2 LEU 83 22.023 -23.440 14.652 629 HD22 LEU 83 2HD2 LEU 83 21.871 -25.210 14.506 630 HD23 LEU 83 3HD2 LEU 83 23.455 -24.420 14.287 631 H THR 84 H THR 84 23.802 -28.749 14.797 632 HA THR 84 HA THR 84 25.260 -30.159 17.019 633 HB THR 84 HB THR 84 25.167 -32.246 15.583 634 HG1 THR 84 HG1 THR 84 24.499 -31.056 13.660 635 HG21 THR 84 1HG2 THR 84 22.444 -31.184 16.446 636 HG22 THR 84 2HG2 THR 84 23.652 -31.890 17.551 637 HG23 THR 84 3HG2 THR 84 22.917 -32.887 16.273 638 H ASP 85 H ASP 85 27.164 -29.189 16.835 639 HA ASP 85 HA ASP 85 29.170 -28.508 16.058 640 HB2 ASP 85 1HB ASP 85 28.747 -30.622 13.917 641 HB3 ASP 85 2HB ASP 85 30.288 -29.849 14.324 642 H GLU 86 H GLU 86 26.532 -27.514 14.748 643 HA GLU 86 HA GLU 86 27.480 -26.370 12.224 644 HB2 GLU 86 1HB GLU 86 24.989 -25.969 13.898 645 HB3 GLU 86 2HB GLU 86 25.272 -25.160 12.348 646 HG2 GLU 86 1HG GLU 86 25.226 -27.227 11.176 647 HG3 GLU 86 2HG GLU 86 25.224 -28.147 12.691 648 H LEU 87 H LEU 87 29.365 -25.260 13.189 649 HA LEU 87 HA LEU 87 28.838 -23.019 14.984 650 HB2 LEU 87 1HB LEU 87 31.257 -23.769 13.312 651 HB3 LEU 87 2HB LEU 87 31.205 -22.378 14.394 652 HG LEU 87 HG LEU 87 30.831 -25.263 15.279 653 HD11 LEU 87 1HD1 LEU 87 33.109 -24.827 14.459 654 HD12 LEU 87 2HD1 LEU 87 33.099 -25.048 16.219 655 HD13 LEU 87 3HD1 LEU 87 33.236 -23.411 15.529 656 HD21 LEU 87 1HD2 LEU 87 29.708 -23.741 16.827 657 HD22 LEU 87 2HD2 LEU 87 31.136 -22.664 16.862 658 HD23 LEU 87 3HD2 LEU 87 31.219 -24.297 17.566 659 H ALA 88 H ALA 88 28.525 -20.929 14.519 660 HA ALA 88 HA ALA 88 27.476 -20.363 11.901 661 HB1 ALA 88 1HB ALA 88 26.476 -19.449 13.987 662 HB2 ALA 88 2HB ALA 88 27.963 -18.514 14.286 663 HB3 ALA 88 3HB ALA 88 26.950 -18.150 12.869 664 HA PRO 89 HA PRO 89 31.206 -18.689 10.230 665 HB2 PRO 89 1HB PRO 89 30.283 -17.165 8.178 666 HB3 PRO 89 2HB PRO 89 30.154 -18.950 8.158 667 HG2 PRO 89 1HG PRO 89 28.111 -16.904 8.968 668 HG3 PRO 89 2HG PRO 89 27.940 -18.259 7.813 669 HD2 PRO 89 1HD PRO 89 27.112 -18.464 10.375 670 HD3 PRO 89 2HD PRO 89 27.850 -19.857 9.513 671 HA PRO 90 HA PRO 90 31.720 -14.790 12.136 672 HB2 PRO 90 1HB PRO 90 33.636 -13.480 10.712 673 HB3 PRO 90 2HB PRO 90 33.988 -14.975 11.630 674 HG2 PRO 90 1HG PRO 90 33.365 -14.662 8.703 675 HG3 PRO 90 2HG PRO 90 34.735 -15.519 9.484 676 HD2 PRO 90 1HD PRO 90 32.513 -16.831 8.660 677 HD3 PRO 90 2HD PRO 90 33.369 -17.313 10.161 678 H LYS 91 H LYS 91 31.363 -12.493 12.085 679 HA LYS 91 HA LYS 91 29.516 -11.635 9.927 680 HB2 LYS 91 1HB LYS 91 29.220 -9.628 11.414 681 HB3 LYS 91 2HB LYS 91 28.756 -11.155 12.163 682 HG2 LYS 91 1HG LYS 91 30.838 -11.192 13.467 683 HG3 LYS 91 2HG LYS 91 31.399 -9.719 12.655 684 HD2 LYS 91 1HD LYS 91 30.544 -9.122 14.847 685 HD3 LYS 91 2HD LYS 91 29.455 -8.474 13.615 686 HE2 LYS 91 1HE LYS 91 27.855 -10.309 14.014 687 HE3 LYS 91 2HE LYS 91 28.978 -11.053 15.168 688 HZ1 LYS 91 1HZ LYS 91 28.767 -9.061 16.550 689 HZ2 LYS 91 2HZ LYS 91 27.295 -9.778 16.324 690 HZ3 LYS 91 3HZ LYS 91 27.663 -8.410 15.491 691 HA PRO 92 HA PRO 92 32.805 -9.426 7.968 692 HB2 PRO 92 1HB PRO 92 31.519 -7.228 6.906 693 HB3 PRO 92 2HB PRO 92 31.350 -8.876 6.237 694 HG2 PRO 92 1HG PRO 92 29.553 -7.391 8.070 695 HG3 PRO 92 2HG PRO 92 29.153 -8.346 6.621 696 HD2 PRO 92 1HD PRO 92 28.883 -9.285 9.137 697 HD3 PRO 92 2HD PRO 92 29.333 -10.353 7.766 698 HA PRO 93 HA PRO 93 34.174 -6.473 10.911 699 HB2 PRO 93 1HB PRO 93 35.885 -4.843 9.570 700 HB3 PRO 93 2HB PRO 93 36.226 -6.588 9.794 701 HG2 PRO 93 1HG PRO 93 34.983 -5.200 7.441 702 HG3 PRO 93 2HG PRO 93 36.388 -6.315 7.475 703 HD2 PRO 93 1HD PRO 93 33.905 -7.183 6.877 704 HD3 PRO 93 2HD PRO 93 35.028 -8.196 7.856 705 H LEU 94 H LEU 94 34.449 -4.067 11.405 706 HA LEU 94 HA LEU 94 32.462 -2.384 9.974 707 HB2 LEU 94 1HB LEU 94 32.605 -3.067 12.920 708 HB3 LEU 94 2HB LEU 94 32.012 -1.494 12.410 709 HG LEU 94 HG LEU 94 30.788 -4.160 11.641 710 HD11 LEU 94 1HD1 LEU 94 30.492 -3.490 14.004 711 HD12 LEU 94 2HD1 LEU 94 28.968 -3.488 13.089 712 HD13 LEU 94 3HD1 LEU 94 29.792 -1.951 13.447 713 HD21 LEU 94 1HD2 LEU 94 28.909 -2.781 10.776 714 HD22 LEU 94 2HD2 LEU 94 30.402 -2.521 9.870 715 HD23 LEU 94 3HD2 LEU 94 29.871 -1.316 11.067 716 HA PRO 95 HA PRO 95 35.721 0.557 10.247 717 HB2 PRO 95 1HB PRO 95 34.413 2.941 10.252 718 HB3 PRO 95 2HB PRO 95 34.343 1.838 8.841 719 HG2 PRO 95 1HG PRO 95 32.377 2.149 11.088 720 HG3 PRO 95 2HG PRO 95 32.093 2.190 9.321 721 HD2 PRO 95 1HD PRO 95 31.719 -0.045 10.792 722 HD3 PRO 95 2HD PRO 95 32.340 -0.129 9.122 723 H GLU 96 H GLU 96 36.609 2.363 11.472 724 HA GLU 96 HA GLU 96 35.887 2.200 14.369 725 HB2 GLU 96 1HB GLU 96 38.611 2.613 13.077 726 HB3 GLU 96 2HB GLU 96 38.287 2.563 14.821 727 HG2 GLU 96 1HG GLU 96 37.558 0.215 14.618 728 HG3 GLU 96 2HG GLU 96 37.833 0.269 12.868 729 H GLY 97 H GLY 97 34.382 4.049 13.743 730 HA2 GLY 97 1HA GLY 97 35.533 6.510 14.575 731 HA3 GLY 97 2HA GLY 97 35.371 6.534 12.807 732 H GLU 98 H GLU 98 33.941 8.421 13.968 733 HA GLU 98 HA GLU 98 31.162 7.410 13.753 734 HB2 GLU 98 1HB GLU 98 30.425 8.731 15.632 735 HB3 GLU 98 2HB GLU 98 31.675 7.606 16.173 736 HG2 GLU 98 1HG GLU 98 33.341 9.455 16.129 737 HG3 GLU 98 2HG GLU 98 32.073 10.578 15.621 738 H VAL 99 H VAL 99 29.662 9.115 13.157 739 HA VAL 99 HA VAL 99 30.894 10.987 11.290 740 HB VAL 99 HB VAL 99 28.532 11.515 10.656 741 HG11 VAL 99 1HG1 VAL 99 29.106 8.492 10.781 742 HG12 VAL 99 2HG1 VAL 99 28.015 9.303 9.649 743 HG13 VAL 99 3HG1 VAL 99 29.754 9.613 9.572 744 HG21 VAL 99 1HG2 VAL 99 26.632 10.267 11.638 745 HG22 VAL 99 2HG2 VAL 99 27.703 9.393 12.733 746 HG23 VAL 99 3HG2 VAL 99 27.465 11.134 12.930 747 HXT VAL 99 H02 VAL 99 29.931 12.970 14.403 Start of MODEL 6 1 H2 GLY 1 2H0 GLY 1 13.556 9.753 -7.686 2 H GLY 1 1H0 GLY 1 12.768 9.096 -6.395 3 HA2 GLY 1 1HA GLY 1 13.026 7.568 -8.367 4 HA3 GLY 1 2HA GLY 1 14.758 7.548 -7.956 5 H SER 2 H SER 2 13.346 5.314 -8.223 6 HA SER 2 HA SER 2 12.795 3.298 -7.273 7 HB2 SER 2 1HB SER 2 15.069 3.751 -6.170 8 HB3 SER 2 2HB SER 2 14.160 4.257 -4.733 9 HG SER 2 HG SER 2 14.717 2.056 -4.618 10 H MET 3 H MET 3 12.111 2.611 -4.608 11 HA MET 3 HA MET 3 9.882 4.454 -3.904 12 HB2 MET 3 1HB MET 3 9.049 2.577 -5.400 13 HB3 MET 3 2HB MET 3 9.520 1.442 -4.132 14 HG2 MET 3 1HG MET 3 7.962 2.570 -2.566 15 HG3 MET 3 2HG MET 3 7.524 3.720 -3.840 16 HE1 MET 3 1HE MET 3 7.055 0.202 -2.301 17 HE2 MET 3 2HE MET 3 6.289 -0.740 -3.599 18 HE3 MET 3 3HE MET 3 8.009 -0.299 -3.717 19 H LYS 4 H LYS 4 11.831 4.865 -2.516 20 HA LYS 4 HA LYS 4 12.958 4.735 -0.538 21 HB2 LYS 4 1HB LYS 4 10.419 3.331 0.273 22 HB3 LYS 4 2HB LYS 4 11.759 3.512 1.406 23 HG2 LYS 4 1HG LYS 4 10.525 5.884 -0.004 24 HG3 LYS 4 2HG LYS 4 9.942 5.251 1.550 25 HD2 LYS 4 1HD LYS 4 12.269 5.488 2.465 26 HD3 LYS 4 2HD LYS 4 12.740 6.295 0.958 27 HE2 LYS 4 1HE LYS 4 11.056 8.052 1.364 28 HE3 LYS 4 2HE LYS 4 10.555 7.228 2.858 29 HZ1 LYS 4 1HZ LYS 4 13.262 8.327 2.337 30 HZ2 LYS 4 2HZ LYS 4 12.802 7.552 3.717 31 HZ3 LYS 4 3HZ LYS 4 12.129 9.006 3.322 32 H TYR 5 H TYR 5 11.827 1.694 0.509 33 HA TYR 5 HA TYR 5 14.622 0.733 0.223 34 HB2 TYR 5 1HB TYR 5 12.406 0.218 2.223 35 HB3 TYR 5 2HB TYR 5 13.818 -0.822 2.113 36 HD1 TYR 5 HD1 TYR 5 16.144 0.789 1.812 37 HD2 TYR 5 HD2 TYR 5 12.579 1.713 4.051 38 HE1 TYR 5 HE1 TYR 5 17.455 2.304 3.276 39 HE2 TYR 5 HE2 TYR 5 13.919 3.227 5.522 40 HH TYR 5 HH TYR 5 17.440 3.683 5.065 41 H LEU 6 H LEU 6 14.914 -1.645 0.277 42 HA LEU 6 HA LEU 6 13.676 -2.834 -2.034 43 HB2 LEU 6 1HB LEU 6 15.204 -4.158 0.239 44 HB3 LEU 6 2HB LEU 6 14.912 -4.839 -1.351 45 HG LEU 6 HG LEU 6 16.662 -2.443 -0.788 46 HD11 LEU 6 1HD1 LEU 6 17.563 -4.534 0.148 47 HD12 LEU 6 2HD1 LEU 6 18.525 -3.982 -1.238 48 HD13 LEU 6 3HD1 LEU 6 17.377 -5.328 -1.437 49 HD21 LEU 6 1HD2 LEU 6 17.469 -2.774 -3.097 50 HD22 LEU 6 2HD2 LEU 6 15.748 -2.343 -3.048 51 HD23 LEU 6 3HD2 LEU 6 16.231 -4.032 -3.339 52 H ASN 7 H ASN 7 13.248 -3.176 1.462 53 HA ASN 7 HA ASN 7 11.682 -4.189 2.766 54 HB2 ASN 7 1HB ASN 7 9.928 -3.320 0.449 55 HB3 ASN 7 2HB ASN 7 9.300 -3.909 1.993 56 HD21 ASN 7 1HD2 ASN 7 10.496 -1.057 3.840 57 HD22 ASN 7 2HD2 ASN 7 10.490 -2.797 3.937 58 H VAL 8 H VAL 8 13.111 -6.160 1.677 59 HA VAL 8 HA VAL 8 11.141 -8.168 0.681 60 HB VAL 8 HB VAL 8 12.809 -9.127 -0.575 61 HG11 VAL 8 1HG1 VAL 8 14.360 -6.580 0.029 62 HG12 VAL 8 2HG1 VAL 8 14.461 -7.586 -1.436 63 HG13 VAL 8 3HG1 VAL 8 12.977 -6.672 -1.101 64 HG21 VAL 8 1HG2 VAL 8 14.114 -10.137 1.098 65 HG22 VAL 8 2HG2 VAL 8 15.269 -9.160 0.172 66 HG23 VAL 8 3HG2 VAL 8 14.672 -8.581 1.733 67 H LEU 9 H LEU 9 11.457 -10.407 1.653 68 HA LEU 9 HA LEU 9 12.069 -10.116 4.563 69 HB2 LEU 9 1HB LEU 9 10.560 -12.286 3.079 70 HB3 LEU 9 2HB LEU 9 10.838 -12.236 4.817 71 HG LEU 9 HG LEU 9 9.198 -10.226 3.228 72 HD11 LEU 9 1HD1 LEU 9 8.353 -12.419 5.163 73 HD12 LEU 9 2HD1 LEU 9 8.151 -12.452 3.395 74 HD13 LEU 9 3HD1 LEU 9 7.274 -11.251 4.366 75 HD21 LEU 9 1HD2 LEU 9 10.173 -9.120 5.168 76 HD22 LEU 9 2HD2 LEU 9 9.695 -10.467 6.225 77 HD23 LEU 9 3HD2 LEU 9 8.459 -9.431 5.482 78 H ALA 10 H ALA 10 13.581 -11.375 5.589 79 HA ALA 10 HA ALA 10 15.046 -13.373 3.913 80 HB1 ALA 10 1HB ALA 10 16.275 -11.229 3.857 81 HB2 ALA 10 2HB ALA 10 16.332 -11.217 5.631 82 HB3 ALA 10 3HB ALA 10 17.182 -12.486 4.714 83 H LYS 11 H LYS 11 15.873 -15.132 5.044 84 HA LYS 11 HA LYS 11 14.927 -15.374 7.866 85 HB2 LYS 11 1HB LYS 11 14.041 -17.059 6.377 86 HB3 LYS 11 2HB LYS 11 15.648 -17.467 5.783 87 HG2 LYS 11 1HG LYS 11 16.261 -18.544 7.784 88 HG3 LYS 11 2HG LYS 11 14.983 -17.754 8.720 89 HD2 LYS 11 1HD LYS 11 14.359 -19.725 6.510 90 HD3 LYS 11 2HD LYS 11 14.701 -20.234 8.178 91 HE2 LYS 11 1HE LYS 11 12.902 -18.211 8.595 92 HE3 LYS 11 2HE LYS 11 12.313 -18.872 7.066 93 HZ1 LYS 11 1HZ LYS 11 11.256 -19.926 8.946 94 HZ2 LYS 11 2HZ LYS 11 12.700 -20.362 9.603 95 HZ3 LYS 11 3HZ LYS 11 12.198 -21.051 8.188 96 H ALA 12 H ALA 12 16.278 -15.826 9.513 97 HA ALA 12 HA ALA 12 19.149 -15.548 9.142 98 HB1 ALA 12 1HB ALA 12 19.154 -15.963 11.595 99 HB2 ALA 12 2HB ALA 12 18.010 -14.689 11.118 100 HB3 ALA 12 3HB ALA 12 17.414 -16.311 11.519 101 H LEU 13 H LEU 13 20.654 -17.123 8.849 102 HA LEU 13 HA LEU 13 19.753 -19.970 8.923 103 HB2 LEU 13 1HB LEU 13 22.409 -18.724 8.163 104 HB3 LEU 13 2HB LEU 13 22.010 -20.420 8.040 105 HG LEU 13 HG LEU 13 21.894 -19.848 5.907 106 HD11 LEU 13 1HD1 LEU 13 19.079 -18.974 6.621 107 HD12 LEU 13 2HD1 LEU 13 19.629 -20.669 6.532 108 HD13 LEU 13 3HD1 LEU 13 19.656 -19.648 5.079 109 HD21 LEU 13 1HD2 LEU 13 21.425 -17.734 4.976 110 HD22 LEU 13 2HD2 LEU 13 22.451 -17.481 6.385 111 HD23 LEU 13 3HD2 LEU 13 20.702 -17.156 6.497 112 H TYR 14 H TYR 14 21.352 -17.633 10.826 113 HA TYR 14 HA TYR 14 22.200 -19.700 12.770 114 HB2 TYR 14 1HB TYR 14 23.985 -17.454 11.753 115 HB3 TYR 14 2HB TYR 14 24.369 -18.587 13.054 116 HD1 TYR 14 HD1 TYR 14 24.207 -18.098 9.420 117 HD2 TYR 14 HD2 TYR 14 24.827 -21.005 12.532 118 HE1 TYR 14 HE1 TYR 14 25.145 -19.692 7.749 119 HE2 TYR 14 HE2 TYR 14 25.801 -22.571 10.867 120 HH TYR 14 HH TYR 14 26.376 -22.909 8.692 121 H ASP 15 H ASP 15 22.712 -18.621 14.866 122 HA ASP 15 HA ASP 15 20.845 -16.494 15.509 123 HB2 ASP 15 1HB ASP 15 23.159 -17.830 16.974 124 HB3 ASP 15 2HB ASP 15 22.285 -16.450 17.655 125 H ASN 16 H ASN 16 21.451 -14.365 16.209 126 HA ASN 16 HA ASN 16 24.258 -13.588 15.596 127 HB2 ASN 16 1HB ASN 16 22.712 -12.912 13.665 128 HB3 ASN 16 2HB ASN 16 21.963 -11.786 14.808 129 HD21 ASN 16 1HD2 ASN 16 24.439 -9.384 14.280 130 HD22 ASN 16 2HD2 ASN 16 22.762 -9.769 14.644 131 H VAL 17 H VAL 17 25.125 -12.355 17.122 132 HA VAL 17 HA VAL 17 23.320 -11.291 19.238 133 HB VAL 17 HB VAL 17 26.286 -12.037 19.382 134 HG11 VAL 17 1HG1 VAL 17 25.752 -10.127 20.856 135 HG12 VAL 17 2HG1 VAL 17 24.377 -11.026 21.547 136 HG13 VAL 17 3HG1 VAL 17 26.043 -11.588 21.819 137 HG21 VAL 17 1HG2 VAL 17 25.523 -13.833 20.937 138 HG22 VAL 17 2HG2 VAL 17 23.829 -13.392 20.600 139 HG23 VAL 17 3HG2 VAL 17 24.858 -14.046 19.305 140 H ALA 18 H ALA 18 23.156 -9.183 19.217 141 HA ALA 18 HA ALA 18 24.640 -7.597 17.301 142 HB1 ALA 18 1HB ALA 18 22.633 -6.863 19.474 143 HB2 ALA 18 2HB ALA 18 23.271 -5.739 18.257 144 HB3 ALA 18 3HB ALA 18 22.280 -7.126 17.748 145 H GLU 19 H GLU 19 26.519 -6.609 17.660 146 HA GLU 19 HA GLU 19 27.454 -6.366 20.509 147 HB2 GLU 19 1HB GLU 19 28.989 -6.482 17.884 148 HB3 GLU 19 2HB GLU 19 29.723 -6.238 19.478 149 HG2 GLU 19 1HG GLU 19 28.883 -8.431 20.208 150 HG3 GLU 19 2HG GLU 19 28.119 -8.674 18.635 151 H SER 20 H SER 20 26.765 -4.697 17.509 152 HA SER 20 HA SER 20 27.750 -2.119 18.655 153 HB2 SER 20 1HB SER 20 26.804 -2.888 15.860 154 HB3 SER 20 2HB SER 20 27.407 -1.284 16.343 155 HG SER 20 HG SER 20 29.066 -2.552 15.438 156 HA PRO 21 HA PRO 21 23.647 -0.913 19.578 157 HB2 PRO 21 1HB PRO 21 23.689 1.791 19.133 158 HB3 PRO 21 2HB PRO 21 24.562 1.019 20.495 159 HG2 PRO 21 1HG PRO 21 25.619 1.823 17.792 160 HG3 PRO 21 2HG PRO 21 26.288 2.174 19.415 161 HD2 PRO 21 1HD PRO 21 27.248 0.194 17.940 162 HD3 PRO 21 2HD PRO 21 27.065 0.030 19.721 163 H ASP 22 H ASP 22 24.929 -0.456 16.383 164 HA ASP 22 HA ASP 22 22.337 0.308 15.234 165 HB2 ASP 22 1HB ASP 22 25.123 -0.199 14.137 166 HB3 ASP 22 2HB ASP 22 23.716 0.004 13.081 167 H GLU 23 H GLU 23 23.761 -2.585 16.308 168 HA GLU 23 HA GLU 23 22.964 -4.103 13.910 169 HB2 GLU 23 1HB GLU 23 25.208 -4.312 15.049 170 HB3 GLU 23 2HB GLU 23 24.376 -5.079 16.406 171 HG2 GLU 23 1HG GLU 23 23.574 -6.851 14.890 172 HG3 GLU 23 2HG GLU 23 24.401 -6.065 13.543 173 H LEU 24 H LEU 24 21.624 -5.921 13.944 174 HA LEU 24 HA LEU 24 19.638 -5.945 16.175 175 HB2 LEU 24 1HB LEU 24 19.593 -7.092 13.377 176 HB3 LEU 24 2HB LEU 24 18.377 -7.470 14.589 177 HG LEU 24 HG LEU 24 18.976 -4.702 13.486 178 HD11 LEU 24 1HD1 LEU 24 16.754 -6.680 12.929 179 HD12 LEU 24 2HD1 LEU 24 17.965 -6.057 11.788 180 HD13 LEU 24 3HD1 LEU 24 16.718 -4.974 12.433 181 HD21 LEU 24 1HD2 LEU 24 18.151 -4.488 15.735 182 HD22 LEU 24 2HD2 LEU 24 16.869 -5.693 15.439 183 HD23 LEU 24 3HD2 LEU 24 16.816 -4.107 14.632 184 H SER 25 H SER 25 19.139 -7.727 17.321 185 HA SER 25 HA SER 25 20.955 -10.064 17.021 186 HB2 SER 25 1HB SER 25 19.866 -10.338 19.491 187 HB3 SER 25 2HB SER 25 21.377 -9.459 19.185 188 HG SER 25 HG SER 25 19.968 -8.175 20.397 189 H PHE 26 H PHE 26 20.057 -11.935 16.594 190 HA PHE 26 HA PHE 26 17.202 -12.457 17.063 191 HB2 PHE 26 1HB PHE 26 16.782 -13.063 14.685 192 HB3 PHE 26 2HB PHE 26 16.999 -11.345 14.973 193 HD1 PHE 26 HD1 PHE 26 18.469 -10.111 13.705 194 HD2 PHE 26 HD2 PHE 26 18.918 -14.386 13.840 195 HE1 PHE 26 HE1 PHE 26 20.122 -9.987 11.901 196 HE2 PHE 26 HE2 PHE 26 20.608 -14.266 12.011 197 HZ PHE 26 HZ PHE 26 21.178 -12.070 10.988 198 H ARG 27 H ARG 27 16.551 -14.630 16.154 199 HA ARG 27 HA ARG 27 18.695 -16.578 16.908 200 HB2 ARG 27 1HB ARG 27 16.478 -16.285 18.185 201 HB3 ARG 27 2HB ARG 27 15.656 -16.860 16.741 202 HG2 ARG 27 1HG ARG 27 15.735 -18.680 18.207 203 HG3 ARG 27 2HG ARG 27 16.964 -19.032 16.985 204 HD2 ARG 27 1HD ARG 27 18.721 -18.560 18.462 205 HD3 ARG 27 2HD ARG 27 17.697 -17.618 19.550 206 HE ARG 27 HE ARG 27 16.603 -20.121 19.682 207 HH11 ARG 27 1HH1 ARG 27 19.936 -19.002 20.129 208 HH12 ARG 27 2HH1 ARG 27 20.249 -20.197 21.365 209 HH21 ARG 27 1HH2 ARG 27 17.115 -21.638 21.222 210 HH22 ARG 27 2HH2 ARG 27 18.704 -21.679 21.933 211 H LYS 28 H LYS 28 18.889 -18.517 15.685 212 HA LYS 28 HA LYS 28 18.715 -18.365 12.846 213 HB2 LYS 28 1HB LYS 28 20.140 -19.915 14.120 214 HB3 LYS 28 2HB LYS 28 18.727 -20.710 14.800 215 HG2 LYS 28 1HG LYS 28 18.163 -21.712 12.706 216 HG3 LYS 28 2HG LYS 28 19.371 -20.738 11.847 217 HD2 LYS 28 1HD LYS 28 21.171 -21.768 13.168 218 HD3 LYS 28 2HD LYS 28 19.990 -22.715 14.086 219 HE2 LYS 28 1HE LYS 28 19.373 -23.938 12.028 220 HE3 LYS 28 2HE LYS 28 20.542 -22.963 11.104 221 HZ1 LYS 28 1HZ LYS 28 22.293 -23.838 12.574 222 HZ2 LYS 28 2HZ LYS 28 21.553 -25.057 11.750 223 HZ3 LYS 28 3HZ LYS 28 21.200 -24.802 13.342 224 H GLY 29 H GLY 29 17.077 -18.573 11.463 225 HA2 GLY 29 1HA GLY 29 15.105 -19.638 10.677 226 HA3 GLY 29 2HA GLY 29 14.618 -19.984 12.334 227 H ASP 30 H ASP 30 15.514 -16.922 12.758 228 HA ASP 30 HA ASP 30 12.810 -15.937 12.725 229 HB2 ASP 30 1HB ASP 30 15.514 -14.615 13.141 230 HB3 ASP 30 2HB ASP 30 14.001 -13.710 13.189 231 H ILE 31 H ILE 31 12.084 -13.978 11.636 232 HA ILE 31 HA ILE 31 13.239 -13.687 8.894 233 HB ILE 31 HB ILE 31 10.313 -13.393 9.741 234 HG12 ILE 31 1HG1 ILE 31 10.882 -15.744 9.654 235 HG13 ILE 31 2HG1 ILE 31 9.899 -15.324 8.255 236 HG21 ILE 31 1HG2 ILE 31 11.715 -12.989 7.052 237 HG22 ILE 31 2HG2 ILE 31 9.951 -13.200 7.208 238 HG23 ILE 31 3HG2 ILE 31 10.748 -11.813 7.972 239 HD11 ILE 31 1HD1 ILE 31 11.522 -16.711 7.356 240 HD12 ILE 31 2HD1 ILE 31 12.188 -15.110 6.991 241 HD13 ILE 31 3HD1 ILE 31 12.816 -16.040 8.376 242 H MET 32 H MET 32 13.877 -11.668 8.374 243 HA MET 32 HA MET 32 12.665 -9.392 9.882 244 HB2 MET 32 1HB MET 32 14.870 -8.253 9.761 245 HB3 MET 32 2HB MET 32 14.866 -9.674 10.788 246 HG2 MET 32 1HG MET 32 15.672 -10.763 8.422 247 HG3 MET 32 2HG MET 32 16.378 -9.154 8.334 248 HE1 MET 32 1HE MET 32 15.582 -11.697 11.418 249 HE2 MET 32 2HE MET 32 16.242 -12.641 10.060 250 HE3 MET 32 3HE MET 32 17.197 -12.428 11.542 251 H THR 33 H THR 33 12.648 -7.419 8.752 252 HA THR 33 HA THR 33 12.214 -7.838 5.844 253 HB THR 33 HB THR 33 11.739 -5.413 7.641 254 HG1 THR 33 HG1 THR 33 9.589 -6.092 7.526 255 HG21 THR 33 1HG2 THR 33 10.281 -4.658 5.757 256 HG22 THR 33 2HG2 THR 33 10.929 -5.992 4.765 257 HG23 THR 33 3HG2 THR 33 12.010 -4.693 5.344 258 H VAL 34 H VAL 34 13.960 -7.581 4.533 259 HA VAL 34 HA VAL 34 16.246 -5.973 5.391 260 HB VAL 34 HB VAL 34 15.723 -7.210 2.688 261 HG11 VAL 34 1HG1 VAL 34 17.468 -5.514 2.579 262 HG12 VAL 34 2HG1 VAL 34 18.271 -6.201 4.013 263 HG13 VAL 34 3HG1 VAL 34 18.218 -7.120 2.490 264 HG21 VAL 34 1HG2 VAL 34 15.657 -8.971 4.300 265 HG22 VAL 34 2HG2 VAL 34 17.255 -9.009 3.544 266 HG23 VAL 34 3HG2 VAL 34 17.072 -8.317 5.161 267 H LEU 35 H LEU 35 16.505 -3.906 5.045 268 HA LEU 35 HA LEU 35 14.515 -2.502 3.353 269 HB2 LEU 35 1HB LEU 35 16.525 -1.537 5.406 270 HB3 LEU 35 2HB LEU 35 15.355 -0.516 4.584 271 HG LEU 35 HG LEU 35 14.619 -2.849 6.390 272 HD11 LEU 35 1HD1 LEU 35 13.970 -1.041 7.970 273 HD12 LEU 35 2HD1 LEU 35 14.820 0.114 6.919 274 HD13 LEU 35 3HD1 LEU 35 15.712 -1.214 7.702 275 HD21 LEU 35 1HD2 LEU 35 12.381 -1.802 6.393 276 HD22 LEU 35 2HD2 LEU 35 12.865 -2.318 4.769 277 HD23 LEU 35 3HD2 LEU 35 12.948 -0.597 5.215 278 H GLU 36 H GLU 36 18.071 -2.658 3.961 279 HA GLU 36 HA GLU 36 18.455 -2.380 1.062 280 HB2 GLU 36 1HB GLU 36 19.737 -0.450 1.010 281 HB3 GLU 36 2HB GLU 36 18.355 -0.032 2.007 282 HG2 GLU 36 1HG GLU 36 19.763 -0.362 3.976 283 HG3 GLU 36 2HG GLU 36 21.138 -0.548 2.883 284 H ARG 37 H ARG 37 20.962 -2.483 0.614 285 HA ARG 37 HA ARG 37 22.189 -4.314 2.637 286 HB2 ARG 37 1HB ARG 37 22.261 -4.574 -0.385 287 HB3 ARG 37 2HB ARG 37 23.112 -5.610 0.763 288 HG2 ARG 37 1HG ARG 37 20.835 -6.249 1.704 289 HG3 ARG 37 2HG ARG 37 20.124 -5.408 0.318 290 HD2 ARG 37 1HD ARG 37 22.046 -7.741 0.221 291 HD3 ARG 37 2HD ARG 37 20.317 -7.779 -0.170 292 HE ARG 37 HE ARG 37 21.502 -5.810 -1.800 293 HH11 ARG 37 1HH1 ARG 37 21.780 -9.304 -1.418 294 HH12 ARG 37 2HH1 ARG 37 22.261 -9.542 -3.077 295 HH21 ARG 37 1HH2 ARG 37 22.118 -6.183 -3.895 296 HH22 ARG 37 2HH2 ARG 37 22.446 -7.798 -4.456 297 H ASP 38 H ASP 38 24.434 -4.177 2.742 298 HA ASP 38 HA ASP 38 26.421 -3.125 2.781 299 HB2 ASP 38 1HB ASP 38 25.766 -2.275 -0.048 300 HB3 ASP 38 2HB ASP 38 27.373 -2.464 0.672 301 H THR 39 H THR 39 24.208 -1.999 3.840 302 HA THR 39 HA THR 39 23.669 0.717 3.246 303 HB THR 39 HB THR 39 22.143 -0.630 4.578 304 HG1 THR 39 HG1 THR 39 21.999 1.507 5.093 305 HG21 THR 39 1HG2 THR 39 24.358 -0.829 6.585 306 HG22 THR 39 2HG2 THR 39 23.561 -2.135 5.672 307 HG23 THR 39 3HG2 THR 39 22.654 -1.226 6.879 308 H GLN 40 H GLN 40 24.357 2.615 4.128 309 HA GLN 40 HA GLN 40 25.869 4.131 4.855 310 HB2 GLN 40 1HB GLN 40 26.750 2.273 7.039 311 HB3 GLN 40 2HB GLN 40 26.619 4.027 7.051 312 HG2 GLN 40 1HG GLN 40 24.058 3.589 6.771 313 HG3 GLN 40 2HG GLN 40 24.443 1.945 7.290 314 HE21 GLN 40 1HE2 GLN 40 24.531 2.784 10.664 315 HE22 GLN 40 2HE2 GLN 40 24.449 1.557 9.423 316 H GLY 41 H GLY 41 26.856 1.698 3.113 317 HA2 GLY 41 1HA GLY 41 28.860 1.464 1.944 318 HA3 GLY 41 2HA GLY 41 29.642 2.610 3.050 319 H LEU 42 H LEU 42 27.843 0.182 4.674 320 HA LEU 42 HA LEU 42 30.350 -1.040 5.605 321 HB2 LEU 42 1HB LEU 42 27.466 -1.442 6.429 322 HB3 LEU 42 2HB LEU 42 28.871 -2.078 7.265 323 HG LEU 42 HG LEU 42 28.332 0.882 6.936 324 HD11 LEU 42 1HD1 LEU 42 27.544 0.787 9.270 325 HD12 LEU 42 2HD1 LEU 42 27.653 -0.989 9.222 326 HD13 LEU 42 3HD1 LEU 42 26.508 -0.132 8.157 327 HD21 LEU 42 1HD2 LEU 42 30.166 -0.733 8.734 328 HD22 LEU 42 2HD2 LEU 42 29.892 1.017 8.873 329 HD23 LEU 42 3HD2 LEU 42 30.656 0.354 7.412 330 H ASP 43 H ASP 43 31.036 -2.347 3.944 331 HA ASP 43 HA ASP 43 29.377 -3.820 2.214 332 HB2 ASP 43 1HB ASP 43 32.126 -3.476 2.565 333 HB3 ASP 43 2HB ASP 43 31.867 -5.208 2.854 334 H GLY 44 H GLY 44 28.256 -5.650 2.334 335 HA2 GLY 44 1HA GLY 44 27.766 -7.803 3.061 336 HA3 GLY 44 2HA GLY 44 29.025 -7.701 4.285 337 H TRP 45 H TRP 45 27.575 -4.969 5.108 338 HA TRP 45 HA TRP 45 25.802 -6.302 7.042 339 HB2 TRP 45 1HB TRP 45 26.889 -3.522 6.605 340 HB3 TRP 45 2HB TRP 45 25.647 -3.826 7.789 341 HD1 TRP 45 HD1 TRP 45 29.351 -3.923 7.384 342 HE1 TRP 45 HE1 TRP 45 30.516 -4.856 9.440 343 HE3 TRP 45 HE3 TRP 45 25.221 -5.859 9.642 344 HZ2 TRP 45 HZ2 TRP 45 29.723 -6.354 11.771 345 HZ3 TRP 45 HZ3 TRP 45 25.470 -7.026 11.822 346 HH2 TRP 45 HH2 TRP 45 27.697 -7.282 12.862 347 H TRP 46 H TRP 46 23.627 -6.358 6.829 348 HA TRP 46 HA TRP 46 22.441 -4.711 4.622 349 HB2 TRP 46 1HB TRP 46 21.592 -7.401 5.757 350 HB3 TRP 46 2HB TRP 46 20.707 -6.493 4.524 351 HD1 TRP 46 HD1 TRP 46 24.121 -5.958 3.471 352 HE1 TRP 46 HE1 TRP 46 24.975 -7.592 1.740 353 HE3 TRP 46 HE3 TRP 46 20.509 -9.532 4.081 354 HZ2 TRP 46 HZ2 TRP 46 24.205 -10.170 0.749 355 HZ3 TRP 46 HZ3 TRP 46 20.661 -11.622 2.726 356 HH2 TRP 46 HH2 TRP 46 22.460 -11.914 1.048 357 H LEU 47 H LEU 47 20.979 -3.225 5.199 358 HA LEU 47 HA LEU 47 20.291 -2.869 8.019 359 HB2 LEU 47 1HB LEU 47 20.601 -0.965 6.457 360 HB3 LEU 47 2HB LEU 47 19.285 -1.566 5.467 361 HG LEU 47 HG LEU 47 17.689 -1.061 7.217 362 HD11 LEU 47 1HD1 LEU 47 20.091 -0.110 8.804 363 HD12 LEU 47 2HD1 LEU 47 18.955 -1.412 9.229 364 HD13 LEU 47 3HD1 LEU 47 18.403 0.267 9.211 365 HD21 LEU 47 1HD2 LEU 47 17.854 1.391 7.138 366 HD22 LEU 47 2HD2 LEU 47 18.260 0.665 5.571 367 HD23 LEU 47 3HD2 LEU 47 19.557 1.264 6.633 368 H CYS 48 H CYS 48 18.660 -3.911 9.010 369 HA CYS 48 HA CYS 48 16.306 -4.642 7.349 370 HB2 CYS 48 1HB CYS 48 17.480 -6.493 9.452 371 HB3 CYS 48 2HB CYS 48 16.181 -6.830 8.312 372 HG CYS 48 HG CYS 48 19.375 -6.249 7.667 373 H SER 49 H SER 49 14.479 -5.372 8.795 374 HA SER 49 HA SER 49 14.506 -3.867 11.368 375 HB2 SER 49 1HB SER 49 12.826 -2.558 10.712 376 HB3 SER 49 2HB SER 49 13.103 -3.120 9.073 377 HG SER 49 HG SER 49 10.926 -3.396 9.773 378 H LEU 50 H LEU 50 13.819 -4.983 13.047 379 HA LEU 50 HA LEU 50 12.226 -7.473 12.699 380 HB2 LEU 50 1HB LEU 50 14.638 -8.116 12.508 381 HB3 LEU 50 2HB LEU 50 14.948 -7.311 14.041 382 HG LEU 50 HG LEU 50 12.942 -9.108 14.687 383 HD11 LEU 50 1HD1 LEU 50 13.253 -10.132 12.449 384 HD12 LEU 50 2HD1 LEU 50 13.553 -11.227 13.825 385 HD13 LEU 50 3HD1 LEU 50 14.921 -10.522 12.934 386 HD21 LEU 50 1HD2 LEU 50 14.781 -10.310 15.825 387 HD22 LEU 50 2HD2 LEU 50 14.871 -8.552 16.041 388 HD23 LEU 50 3HD2 LEU 50 15.955 -9.358 14.886 389 H HIS 51 H HIS 51 10.865 -7.681 14.453 390 HA HIS 51 HA HIS 51 9.743 -7.125 16.373 391 HB2 HIS 51 1HB HIS 51 12.522 -6.564 17.474 392 HB3 HIS 51 2HB HIS 51 11.058 -6.833 18.423 393 HD1 HIS 51 HD1 HIS 51 13.572 -8.678 18.742 394 HD2 HIS 51 HD2 HIS 51 10.307 -9.495 16.285 395 HE1 HIS 51 HE1 HIS 51 13.510 -11.185 18.402 396 H GLY 52 H GLY 52 10.193 -4.944 14.412 397 HA2 GLY 52 1HA GLY 52 9.542 -2.727 14.329 398 HA3 GLY 52 2HA GLY 52 9.255 -2.770 16.074 399 H ARG 53 H ARG 53 12.412 -3.804 15.184 400 HA ARG 53 HA ARG 53 13.524 -1.117 15.899 401 HB2 ARG 53 1HB ARG 53 13.663 -3.371 17.413 402 HB3 ARG 53 2HB ARG 53 15.033 -3.677 16.358 403 HG2 ARG 53 1HG ARG 53 14.735 -1.092 17.921 404 HG3 ARG 53 2HG ARG 53 15.463 -2.548 18.611 405 HD2 ARG 53 1HD ARG 53 17.026 -2.543 16.572 406 HD3 ARG 53 2HD ARG 53 16.470 -0.879 16.304 407 HE ARG 53 HE ARG 53 17.236 -1.135 19.014 408 HH11 ARG 53 1HH1 ARG 53 18.819 -1.123 15.833 409 HH12 ARG 53 2HH1 ARG 53 20.342 -0.602 16.531 410 HH21 ARG 53 1HH2 ARG 53 19.206 -0.447 19.765 411 HH22 ARG 53 2HH2 ARG 53 20.547 -0.219 18.659 412 H GLN 54 H GLN 54 15.144 -0.419 14.521 413 HA GLN 54 HA GLN 54 15.600 -2.108 12.107 414 HB2 GLN 54 1HB GLN 54 15.065 0.689 12.551 415 HB3 GLN 54 2HB GLN 54 16.644 0.504 11.773 416 HG2 GLN 54 1HG GLN 54 15.611 -0.841 10.020 417 HG3 GLN 54 2HG GLN 54 14.039 -0.673 10.814 418 HE21 GLN 54 1HE2 GLN 54 15.670 2.718 9.120 419 HE22 GLN 54 2HE2 GLN 54 16.709 1.561 9.914 420 H GLY 55 H GLY 55 17.729 -2.457 11.349 421 HA2 GLY 55 1HA GLY 55 20.010 -1.191 12.427 422 HA3 GLY 55 2HA GLY 55 19.726 -2.650 13.381 423 H ILE 56 H ILE 56 22.065 -2.511 12.113 424 HA ILE 56 HA ILE 56 21.838 -3.740 9.449 425 HB ILE 56 HB ILE 56 24.306 -3.712 9.424 426 HG12 ILE 56 1HG1 ILE 56 24.031 -2.727 12.309 427 HG13 ILE 56 2HG1 ILE 56 24.645 -4.301 11.823 428 HG21 ILE 56 1HG2 ILE 56 24.575 -1.333 9.381 429 HG22 ILE 56 2HG2 ILE 56 22.862 -1.610 9.016 430 HG23 ILE 56 3HG2 ILE 56 23.344 -1.072 10.640 431 HD11 ILE 56 1HD1 ILE 56 26.512 -2.951 12.367 432 HD12 ILE 56 2HD1 ILE 56 26.490 -3.061 10.594 433 HD13 ILE 56 3HD1 ILE 56 25.914 -1.585 11.406 434 H VAL 57 H VAL 57 22.707 -5.746 8.906 435 HA VAL 57 HA VAL 57 22.914 -7.767 11.097 436 HB VAL 57 HB VAL 57 21.202 -7.939 8.609 437 HG11 VAL 57 1HG1 VAL 57 20.437 -10.113 9.502 438 HG12 VAL 57 2HG1 VAL 57 22.102 -10.067 8.893 439 HG13 VAL 57 3HG1 VAL 57 21.792 -10.011 10.639 440 HG21 VAL 57 1HG2 VAL 57 19.298 -8.195 10.225 441 HG22 VAL 57 2HG2 VAL 57 20.450 -7.795 11.525 442 HG23 VAL 57 3HG2 VAL 57 20.075 -6.600 10.267 443 HA PRO 58 HA PRO 58 26.160 -8.866 8.219 444 HB2 PRO 58 1HB PRO 58 26.834 -11.357 9.133 445 HB3 PRO 58 2HB PRO 58 27.257 -9.861 10.022 446 HG2 PRO 58 1HG PRO 58 24.962 -11.736 10.489 447 HG3 PRO 58 2HG PRO 58 26.116 -11.051 11.666 448 HD2 PRO 58 1HD PRO 58 23.635 -10.004 11.231 449 HD3 PRO 58 2HD PRO 58 25.032 -8.992 11.687 450 H GLY 59 H GLY 59 25.446 -9.237 6.164 451 HA2 GLY 59 1HA GLY 59 23.275 -10.916 5.469 452 HA3 GLY 59 2HA GLY 59 24.542 -10.344 4.368 453 H ASN 60 H ASN 60 26.585 -11.685 6.146 454 HA ASN 60 HA ASN 60 26.808 -14.153 4.741 455 HB2 ASN 60 1HB ASN 60 28.575 -12.657 5.968 456 HB3 ASN 60 2HB ASN 60 28.149 -13.609 7.399 457 HD21 ASN 60 1HD2 ASN 60 30.913 -15.495 6.194 458 HD22 ASN 60 2HD2 ASN 60 30.447 -14.183 7.264 459 H ARG 61 H ARG 61 24.899 -13.337 7.507 460 HA ARG 61 HA ARG 61 24.558 -16.257 8.145 461 HB2 ARG 61 1HB ARG 61 24.138 -13.803 9.898 462 HB3 ARG 61 2HB ARG 61 23.750 -15.460 10.369 463 HG2 ARG 61 1HG ARG 61 26.114 -16.093 10.177 464 HG3 ARG 61 2HG ARG 61 26.531 -14.437 9.692 465 HD2 ARG 61 1HD ARG 61 25.715 -13.581 11.842 466 HD3 ARG 61 2HD ARG 61 25.240 -15.219 12.327 467 HE ARG 61 HE ARG 61 27.975 -15.327 11.616 468 HH11 ARG 61 1HH1 ARG 61 26.044 -13.740 14.131 469 HH12 ARG 61 2HH1 ARG 61 27.355 -13.814 15.282 470 HH21 ARG 61 1HH2 ARG 61 29.554 -15.369 13.108 471 HH22 ARG 61 2HH2 ARG 61 29.319 -14.701 14.712 472 H LEU 62 H LEU 62 23.242 -14.095 6.207 473 HA LEU 62 HA LEU 62 20.444 -14.707 7.044 474 HB2 LEU 62 1HB LEU 62 21.494 -12.271 7.240 475 HB3 LEU 62 2HB LEU 62 21.126 -12.229 5.519 476 HG LEU 62 HG LEU 62 18.776 -12.743 6.043 477 HD11 LEU 62 1HD1 LEU 62 18.972 -13.820 8.157 478 HD12 LEU 62 2HD1 LEU 62 17.903 -12.426 8.255 479 HD13 LEU 62 3HD1 LEU 62 19.558 -12.318 8.898 480 HD21 LEU 62 1HD2 LEU 62 18.260 -10.474 6.949 481 HD22 LEU 62 2HD2 LEU 62 19.438 -10.480 5.626 482 HD23 LEU 62 3HD2 LEU 62 19.988 -10.281 7.302 483 H LYS 63 H LYS 63 18.953 -15.183 5.505 484 HA LYS 63 HA LYS 63 20.005 -15.402 2.708 485 HB2 LYS 63 1HB LYS 63 19.831 -17.622 3.668 486 HB3 LYS 63 2HB LYS 63 18.188 -17.296 4.225 487 HG2 LYS 63 1HG LYS 63 17.361 -17.262 1.944 488 HG3 LYS 63 2HG LYS 63 19.012 -17.316 1.296 489 HD2 LYS 63 1HD LYS 63 18.049 -19.505 1.100 490 HD3 LYS 63 2HD LYS 63 19.308 -19.555 2.349 491 HE2 LYS 63 1HE LYS 63 17.516 -19.344 4.094 492 HE3 LYS 63 2HE LYS 63 16.296 -19.421 2.802 493 HZ1 LYS 63 1HZ LYS 63 16.706 -21.599 3.784 494 HZ2 LYS 63 2HZ LYS 63 18.311 -21.521 3.409 495 HZ3 LYS 63 3HZ LYS 63 17.186 -21.602 2.205 496 H ILE 64 H ILE 64 19.017 -14.189 1.343 497 HA ILE 64 HA ILE 64 16.534 -12.860 1.925 498 HB ILE 64 HB ILE 64 17.980 -13.240 -0.744 499 HG12 ILE 64 1HG1 ILE 64 19.499 -12.242 0.879 500 HG13 ILE 64 2HG1 ILE 64 19.008 -11.051 -0.313 501 HG21 ILE 64 1HG2 ILE 64 15.887 -11.270 0.197 502 HG22 ILE 64 2HG2 ILE 64 16.840 -11.059 -1.288 503 HG23 ILE 64 3HG2 ILE 64 15.743 -12.448 -1.111 504 HD11 ILE 64 1HD1 ILE 64 17.280 -10.221 1.451 505 HD12 ILE 64 2HD1 ILE 64 18.187 -11.224 2.610 506 HD13 ILE 64 3HD1 ILE 64 18.988 -9.892 1.757 507 H LEU 65 H LEU 65 14.483 -13.542 1.598 508 HA LEU 65 HA LEU 65 14.136 -16.190 0.311 509 HB2 LEU 65 1HB LEU 65 12.179 -14.467 1.863 510 HB3 LEU 65 2HB LEU 65 11.917 -16.127 1.341 511 HG LEU 65 HG LEU 65 13.993 -15.213 3.365 512 HD11 LEU 65 1HD1 LEU 65 11.360 -16.685 3.713 513 HD12 LEU 65 2HD1 LEU 65 11.693 -14.996 4.165 514 HD13 LEU 65 3HD1 LEU 65 12.533 -16.312 4.997 515 HD21 LEU 65 1HD2 LEU 65 14.219 -17.668 3.834 516 HD22 LEU 65 2HD2 LEU 65 14.815 -17.199 2.231 517 HD23 LEU 65 3HD2 LEU 65 13.229 -17.999 2.394 518 H VAL 66 H VAL 66 14.636 -15.150 -1.817 519 HA VAL 66 HA VAL 66 12.699 -13.355 -3.016 520 HB VAL 66 HB VAL 66 13.814 -14.286 -5.207 521 HG11 VAL 66 1HG1 VAL 66 15.544 -12.839 -3.179 522 HG12 VAL 66 2HG1 VAL 66 15.710 -12.795 -4.944 523 HG13 VAL 66 3HG1 VAL 66 14.282 -12.074 -4.169 524 HG21 VAL 66 1HG2 VAL 66 14.752 -16.346 -4.084 525 HG22 VAL 66 2HG2 VAL 66 15.954 -15.385 -4.963 526 HG23 VAL 66 3HG2 VAL 66 15.883 -15.290 -3.189 527 H GLY 67 H GLY 67 12.422 -16.617 -2.200 528 HA2 GLY 67 1HA GLY 67 10.454 -17.877 -2.607 529 HA3 GLY 67 2HA GLY 67 10.115 -16.877 -4.030 530 H MET 68 H MET 68 10.531 -17.765 -5.972 531 HA MET 68 HA MET 68 12.058 -20.304 -6.019 532 HB2 MET 68 1HB MET 68 10.321 -18.956 -8.110 533 HB3 MET 68 2HB MET 68 11.173 -20.487 -8.337 534 HG2 MET 68 1HG MET 68 8.995 -19.931 -6.297 535 HG3 MET 68 2HG MET 68 8.832 -20.897 -7.770 536 HE1 MET 68 1HE MET 68 10.824 -24.157 -6.954 537 HE2 MET 68 2HE MET 68 9.722 -23.333 -8.078 538 HE3 MET 68 3HE MET 68 11.408 -22.779 -7.909 539 H TYR 69 H TYR 69 13.634 -20.694 -7.657 540 HA TYR 69 HA TYR 69 15.281 -18.249 -8.136 541 HB2 TYR 69 1HB TYR 69 16.294 -21.084 -7.846 542 HB3 TYR 69 2HB TYR 69 17.185 -19.568 -7.635 543 HD1 TYR 69 HD1 TYR 69 16.771 -18.176 -5.551 544 HD2 TYR 69 HD2 TYR 69 15.006 -22.073 -6.058 545 HE1 TYR 69 HE1 TYR 69 16.245 -18.267 -3.108 546 HE2 TYR 69 HE2 TYR 69 14.475 -22.143 -3.623 547 HH TYR 69 HH TYR 69 14.394 -20.954 -1.682 548 H ASP 70 H ASP 70 13.288 -19.446 -9.991 549 HA ASP 70 HA ASP 70 13.008 -20.194 -12.134 550 HB2 ASP 70 1HB ASP 70 14.589 -18.182 -12.479 551 HB3 ASP 70 2HB ASP 70 15.854 -19.389 -12.759 552 H LYS 71 H LYS 71 14.000 -21.957 -10.099 553 HA LYS 71 HA LYS 71 15.093 -24.158 -11.725 554 HB2 LYS 71 1HB LYS 71 17.028 -22.744 -10.863 555 HB3 LYS 71 2HB LYS 71 16.464 -23.078 -9.224 556 HG2 LYS 71 1HG LYS 71 16.855 -25.511 -9.630 557 HG3 LYS 71 2HG LYS 71 17.529 -25.099 -11.222 558 HD2 LYS 71 1HD LYS 71 19.221 -23.678 -10.127 559 HD3 LYS 71 2HD LYS 71 18.530 -24.079 -8.540 560 HE2 LYS 71 1HE LYS 71 19.057 -26.457 -8.892 561 HE3 LYS 71 2HE LYS 71 19.734 -26.075 -10.493 562 HZ1 LYS 71 1HZ LYS 71 21.464 -26.221 -8.803 563 HZ2 LYS 71 2HZ LYS 71 20.758 -25.018 -7.918 564 HZ3 LYS 71 3HZ LYS 71 21.385 -24.689 -9.407 565 H LYS 72 H LYS 72 14.717 -26.179 -10.640 566 HA LYS 72 HA LYS 72 12.525 -26.282 -8.800 567 HB2 LYS 72 1HB LYS 72 13.024 -28.642 -8.591 568 HB3 LYS 72 2HB LYS 72 13.221 -28.178 -10.283 569 HG2 LYS 72 1HG LYS 72 15.681 -28.132 -9.990 570 HG3 LYS 72 2HG LYS 72 15.482 -28.569 -8.280 571 HD2 LYS 72 1HD LYS 72 14.329 -30.665 -8.986 572 HD3 LYS 72 2HD LYS 72 14.677 -30.251 -10.680 573 HE2 LYS 72 1HE LYS 72 17.105 -30.261 -10.180 574 HE3 LYS 72 2HE LYS 72 16.757 -30.651 -8.483 575 HZ1 LYS 72 1HZ LYS 72 15.756 -32.730 -9.230 576 HZ2 LYS 72 2HZ LYS 72 17.322 -32.633 -9.741 577 HZ3 LYS 72 3HZ LYS 72 16.087 -32.373 -10.807 578 HA PRO 73 HA PRO 73 14.724 -25.263 -5.180 579 HB2 PRO 73 1HB PRO 73 13.475 -26.606 -3.155 580 HB3 PRO 73 2HB PRO 73 12.690 -25.251 -4.030 581 HG2 PRO 73 1HG PRO 73 12.420 -28.212 -4.507 582 HG3 PRO 73 2HG PRO 73 11.128 -26.985 -4.276 583 HD2 PRO 73 1HD PRO 73 11.877 -27.783 -6.738 584 HD3 PRO 73 2HD PRO 73 11.470 -26.065 -6.409 585 H ALA 74 H ALA 74 16.307 -25.987 -3.699 586 HA ALA 74 HA ALA 74 17.019 -28.874 -3.722 587 HB1 ALA 74 1HB ALA 74 18.314 -27.797 -5.565 588 HB2 ALA 74 2HB ALA 74 18.958 -26.607 -4.405 589 HB3 ALA 74 3HB ALA 74 19.373 -28.328 -4.236 590 H GLY 75 H GLY 75 15.728 -27.279 -1.742 591 HA2 GLY 75 1HA GLY 75 17.719 -26.186 0.060 592 HA3 GLY 75 2HA GLY 75 15.986 -26.327 0.357 593 H SER 76 H SER 76 16.008 -29.264 -0.144 594 HA SER 76 HA SER 76 16.059 -31.152 1.128 595 HB2 SER 76 1HB SER 76 18.891 -30.235 1.703 596 HB3 SER 76 2HB SER 76 18.272 -31.900 1.791 597 HG SER 76 HG SER 76 19.336 -31.389 -0.206 598 H GLY 77 H GLY 77 15.097 -28.802 2.656 599 HA2 GLY 77 1HA GLY 77 16.160 -29.033 5.338 600 HA3 GLY 77 2HA GLY 77 14.670 -28.196 4.857 601 H GLY 78 H GLY 78 14.846 -29.755 7.212 602 HA2 GLY 78 1HA GLY 78 13.215 -31.170 8.180 603 HA3 GLY 78 2HA GLY 78 12.812 -31.814 6.577 604 H SER 79 H SER 79 16.101 -31.691 6.684 605 HA SER 79 HA SER 79 16.369 -34.557 7.221 606 HB2 SER 79 1HB SER 79 18.848 -33.856 6.729 607 HB3 SER 79 2HB SER 79 17.665 -33.824 5.402 608 HG SER 79 HG SER 79 17.883 -31.742 5.258 609 H GLY 80 H GLY 80 17.796 -35.397 8.836 610 HA2 GLY 80 1HA GLY 80 19.394 -34.674 10.693 611 HA3 GLY 80 2HA GLY 80 18.073 -33.606 11.212 612 H SER 81 H SER 81 18.931 -35.418 13.053 613 HA SER 81 HA SER 81 16.561 -37.049 13.465 614 HB2 SER 81 1HB SER 81 17.792 -38.546 11.919 615 HB3 SER 81 2HB SER 81 19.213 -38.478 12.978 616 HG SER 81 HG SER 81 16.637 -39.461 13.683 617 H GLY 82 H GLY 82 20.048 -36.995 14.328 618 HA2 GLY 82 1HA GLY 82 19.304 -36.914 17.204 619 HA3 GLY 82 2HA GLY 82 20.918 -37.255 16.535 620 H LEU 83 H LEU 83 21.487 -35.522 18.191 621 HA LEU 83 HA LEU 83 20.770 -32.781 17.689 622 HB2 LEU 83 1HB LEU 83 23.247 -33.980 18.983 623 HB3 LEU 83 2HB LEU 83 22.797 -32.281 19.052 624 HG LEU 83 HG LEU 83 21.175 -34.541 20.272 625 HD11 LEU 83 1HD1 LEU 83 22.052 -33.708 22.425 626 HD12 LEU 83 2HD1 LEU 83 23.068 -32.528 21.555 627 HD13 LEU 83 3HD1 LEU 83 23.364 -34.272 21.367 628 HD21 LEU 83 1HD2 LEU 83 19.774 -32.609 19.728 629 HD22 LEU 83 2HD2 LEU 83 20.938 -31.512 20.514 630 HD23 LEU 83 3HD2 LEU 83 20.029 -32.695 21.482 631 H THR 84 H THR 84 21.834 -31.206 16.481 632 HA THR 84 HA THR 84 24.206 -32.051 14.909 633 HB THR 84 HB THR 84 23.336 -30.814 12.932 634 HG1 THR 84 HG1 THR 84 21.869 -29.408 13.562 635 HG21 THR 84 1HG2 THR 84 21.663 -32.395 12.175 636 HG22 THR 84 2HG2 THR 84 21.280 -32.864 13.844 637 HG23 THR 84 3HG2 THR 84 22.864 -33.279 13.147 638 H ASP 85 H ASP 85 25.678 -30.346 14.619 639 HA ASP 85 HA ASP 85 25.028 -27.805 16.047 640 HB2 ASP 85 1HB ASP 85 27.435 -29.631 16.341 641 HB3 ASP 85 2HB ASP 85 27.484 -27.914 16.784 642 H GLU 86 H GLU 86 25.427 -26.088 14.819 643 HA GLU 86 HA GLU 86 27.405 -26.316 12.602 644 HB2 GLU 86 1HB GLU 86 24.617 -25.113 12.464 645 HB3 GLU 86 2HB GLU 86 25.852 -24.940 11.213 646 HG2 GLU 86 1HG GLU 86 25.209 -26.847 10.275 647 HG3 GLU 86 2HG GLU 86 25.548 -27.733 11.766 648 H LEU 87 H LEU 87 28.956 -24.930 13.147 649 HA LEU 87 HA LEU 87 28.421 -22.629 14.847 650 HB2 LEU 87 1HB LEU 87 30.901 -23.505 13.324 651 HB3 LEU 87 2HB LEU 87 30.847 -22.150 14.459 652 HG LEU 87 HG LEU 87 30.199 -25.028 15.222 653 HD11 LEU 87 1HD1 LEU 87 32.448 -25.073 16.238 654 HD12 LEU 87 2HD1 LEU 87 32.782 -23.448 15.589 655 HD13 LEU 87 3HD1 LEU 87 32.540 -24.823 14.484 656 HD21 LEU 87 1HD2 LEU 87 30.751 -22.534 16.898 657 HD22 LEU 87 2HD2 LEU 87 30.583 -24.184 17.542 658 HD23 LEU 87 3HD2 LEU 87 29.200 -23.402 16.757 659 H ALA 88 H ALA 88 28.403 -20.495 14.299 660 HA ALA 88 HA ALA 88 27.456 -19.969 11.629 661 HB1 ALA 88 1HB ALA 88 28.055 -18.008 13.880 662 HB2 ALA 88 2HB ALA 88 27.012 -17.730 12.465 663 HB3 ALA 88 3HB ALA 88 26.531 -18.913 13.702 664 HA PRO 89 HA PRO 89 31.316 -18.493 9.980 665 HB2 PRO 89 1HB PRO 89 30.471 -16.980 7.890 666 HB3 PRO 89 2HB PRO 89 30.307 -18.758 7.884 667 HG2 PRO 89 1HG PRO 89 28.274 -16.667 8.612 668 HG3 PRO 89 2HG PRO 89 28.114 -18.040 7.468 669 HD2 PRO 89 1HD PRO 89 27.219 -18.182 10.023 670 HD3 PRO 89 2HD PRO 89 27.936 -19.603 9.192 671 HA PRO 90 HA PRO 90 31.817 -14.632 11.911 672 HB2 PRO 90 1HB PRO 90 33.718 -13.263 10.516 673 HB3 PRO 90 2HB PRO 90 34.085 -14.778 11.408 674 HG2 PRO 90 1HG PRO 90 33.465 -14.417 8.487 675 HG3 PRO 90 2HG PRO 90 34.843 -15.275 9.251 676 HD2 PRO 90 1HD PRO 90 32.644 -16.590 8.400 677 HD3 PRO 90 2HD PRO 90 33.494 -17.090 9.900 678 H LYS 91 H LYS 91 31.389 -12.364 11.951 679 HA LYS 91 HA LYS 91 29.594 -11.425 9.787 680 HB2 LYS 91 1HB LYS 91 29.200 -9.505 11.348 681 HB3 LYS 91 2HB LYS 91 28.773 -11.067 12.050 682 HG2 LYS 91 1HG LYS 91 30.799 -11.077 13.408 683 HG3 LYS 91 2HG LYS 91 31.390 -9.616 12.604 684 HD2 LYS 91 1HD LYS 91 30.526 -8.997 14.768 685 HD3 LYS 91 2HD LYS 91 29.448 -8.344 13.530 686 HE2 LYS 91 1HE LYS 91 27.815 -10.132 13.947 687 HE3 LYS 91 2HE LYS 91 28.942 -10.916 15.081 688 HZ1 LYS 91 1HZ LYS 91 27.732 -8.233 15.452 689 HZ2 LYS 91 2HZ LYS 91 28.795 -8.971 16.496 690 HZ3 LYS 91 3HZ LYS 91 27.288 -9.600 16.251 691 HA PRO 92 HA PRO 92 32.981 -9.061 8.161 692 HB2 PRO 92 1HB PRO 92 31.725 -6.874 7.062 693 HB3 PRO 92 2HB PRO 92 31.656 -8.507 6.329 694 HG2 PRO 92 1HG PRO 92 29.665 -7.126 8.050 695 HG3 PRO 92 2HG PRO 92 29.413 -8.042 6.552 696 HD2 PRO 92 1HD PRO 92 28.975 -9.059 9.027 697 HD3 PRO 92 2HD PRO 92 29.526 -10.070 7.649 698 HA PRO 93 HA PRO 93 33.900 -6.258 11.403 699 HB2 PRO 93 1HB PRO 93 35.789 -4.584 10.407 700 HB3 PRO 93 2HB PRO 93 36.089 -6.345 10.569 701 HG2 PRO 93 1HG PRO 93 35.190 -4.796 8.156 702 HG3 PRO 93 2HG PRO 93 36.562 -5.938 8.313 703 HD2 PRO 93 1HD PRO 93 34.162 -6.711 7.337 704 HD3 PRO 93 2HD PRO 93 35.150 -7.808 8.361 705 H LEU 94 H LEU 94 34.088 -3.904 12.083 706 HA LEU 94 HA LEU 94 32.351 -2.114 10.491 707 HB2 LEU 94 1HB LEU 94 32.081 -2.936 13.392 708 HB3 LEU 94 2HB LEU 94 31.497 -1.369 12.847 709 HG LEU 94 HG LEU 94 30.541 -4.044 11.795 710 HD11 LEU 94 1HD1 LEU 94 29.183 -1.969 13.504 711 HD12 LEU 94 2HD1 LEU 94 29.892 -3.498 14.106 712 HD13 LEU 94 3HD1 LEU 94 28.523 -3.538 12.980 713 HD21 LEU 94 1HD2 LEU 94 29.623 -1.200 11.222 714 HD22 LEU 94 2HD2 LEU 94 28.748 -2.672 10.748 715 HD23 LEU 94 3HD2 LEU 94 30.342 -2.353 10.068 716 HA PRO 95 HA PRO 95 35.392 0.915 11.745 717 HB2 PRO 95 1HB PRO 95 34.031 3.223 11.347 718 HB3 PRO 95 2HB PRO 95 34.462 2.154 9.977 719 HG2 PRO 95 1HG PRO 95 31.862 2.374 11.483 720 HG3 PRO 95 2HG PRO 95 32.136 2.360 9.712 721 HD2 PRO 95 1HD PRO 95 31.417 0.121 11.162 722 HD3 PRO 95 2HD PRO 95 32.378 0.040 9.661 723 H GLU 96 H GLU 96 35.613 2.836 13.249 724 HA GLU 96 HA GLU 96 34.292 2.240 15.811 725 HB2 GLU 96 1HB GLU 96 36.507 4.180 15.051 726 HB3 GLU 96 2HB GLU 96 35.930 3.893 16.703 727 HG2 GLU 96 1HG GLU 96 36.583 1.512 16.506 728 HG3 GLU 96 2HG GLU 96 37.231 1.836 14.888 729 H GLY 97 H GLY 97 32.363 3.180 14.107 730 HA2 GLY 97 1HA GLY 97 30.605 4.722 14.367 731 HA3 GLY 97 2HA GLY 97 31.625 5.697 15.435 732 H GLU 98 H GLU 98 31.679 7.711 14.576 733 HA GLU 98 HA GLU 98 31.444 8.250 11.779 734 HB2 GLU 98 1HB GLU 98 32.510 9.902 14.099 735 HB3 GLU 98 2HB GLU 98 32.389 10.514 12.451 736 HG2 GLU 98 1HG GLU 98 30.457 11.317 13.478 737 HG3 GLU 98 2HG GLU 98 29.904 9.933 12.530 738 H VAL 99 H VAL 99 32.776 7.726 10.296 739 HA VAL 99 HA VAL 99 34.571 7.456 8.983 740 HB VAL 99 HB VAL 99 36.304 8.945 11.008 741 HG11 VAL 99 1HG1 VAL 99 37.779 9.364 9.026 742 HG12 VAL 99 2HG1 VAL 99 37.625 7.639 9.352 743 HG13 VAL 99 3HG1 VAL 99 36.719 8.364 8.015 744 HG21 VAL 99 1HG2 VAL 99 35.922 10.958 9.539 745 HG22 VAL 99 2HG2 VAL 99 34.715 10.047 8.611 746 HG23 VAL 99 3HG2 VAL 99 34.442 10.419 10.325 747 HXT VAL 99 H02 VAL 99 36.324 5.349 11.731 Start of MODEL 7 1 H2 GLY 1 2H0 GLY 1 7.973 4.776 -10.942 2 H GLY 1 1H0 GLY 1 6.997 3.900 -9.972 3 HA2 GLY 1 1HA GLY 1 7.709 6.744 -9.518 4 HA3 GLY 1 2HA GLY 1 6.668 5.768 -8.461 5 H SER 2 H SER 2 8.931 7.208 -7.656 6 HA SER 2 HA SER 2 11.168 5.355 -7.333 7 HB2 SER 2 1HB SER 2 11.520 7.808 -7.390 8 HB3 SER 2 2HB SER 2 10.532 7.980 -5.923 9 HG SER 2 HG SER 2 13.020 6.626 -6.191 10 H MET 3 H MET 3 11.428 3.888 -5.765 11 HA MET 3 HA MET 3 9.319 3.671 -3.686 12 HB2 MET 3 1HB MET 3 11.488 1.736 -4.587 13 HB3 MET 3 2HB MET 3 10.243 1.393 -3.377 14 HG2 MET 3 1HG MET 3 8.494 1.706 -5.090 15 HG3 MET 3 2HG MET 3 9.747 2.020 -6.307 16 HE1 MET 3 1HE MET 3 8.567 -1.542 -7.384 17 HE2 MET 3 2HE MET 3 7.560 -0.199 -6.793 18 HE3 MET 3 3HE MET 3 8.908 0.124 -7.911 19 H LYS 4 H LYS 4 10.098 2.918 -1.500 20 HA LYS 4 HA LYS 4 12.767 4.091 -0.814 21 HB2 LYS 4 1HB LYS 4 10.219 4.059 0.861 22 HB3 LYS 4 2HB LYS 4 11.813 4.562 1.441 23 HG2 LYS 4 1HG LYS 4 11.832 6.366 -0.264 24 HG3 LYS 4 2HG LYS 4 10.190 5.899 -0.748 25 HD2 LYS 4 1HD LYS 4 9.415 6.319 1.583 26 HD3 LYS 4 2HD LYS 4 11.048 6.875 2.003 27 HE2 LYS 4 1HE LYS 4 9.224 8.101 -0.109 28 HE3 LYS 4 2HE LYS 4 9.537 8.769 1.507 29 HZ1 LYS 4 1HZ LYS 4 11.868 9.005 0.889 30 HZ2 LYS 4 2HZ LYS 4 10.914 9.827 -0.179 31 HZ3 LYS 4 3HZ LYS 4 11.580 8.380 -0.609 32 H TYR 5 H TYR 5 14.082 2.585 -0.142 33 HA TYR 5 HA TYR 5 14.973 0.633 0.438 34 HB2 TYR 5 1HB TYR 5 12.547 0.589 2.216 35 HB3 TYR 5 2HB TYR 5 13.826 -0.608 2.294 36 HD1 TYR 5 HD1 TYR 5 16.318 0.897 2.004 37 HD2 TYR 5 HD2 TYR 5 12.720 1.965 4.123 38 HE1 TYR 5 HE1 TYR 5 17.637 2.358 3.504 39 HE2 TYR 5 HE2 TYR 5 14.065 3.430 5.631 40 HH TYR 5 HH TYR 5 16.142 4.221 6.160 41 H LEU 6 H LEU 6 14.866 -1.703 0.571 42 HA LEU 6 HA LEU 6 13.645 -2.684 -1.889 43 HB2 LEU 6 1HB LEU 6 15.153 -4.163 0.298 44 HB3 LEU 6 2HB LEU 6 14.811 -4.764 -1.317 45 HG LEU 6 HG LEU 6 16.646 -2.445 -0.699 46 HD11 LEU 6 1HD1 LEU 6 18.457 -4.032 -1.215 47 HD12 LEU 6 2HD1 LEU 6 17.265 -5.337 -1.423 48 HD13 LEU 6 3HD1 LEU 6 17.500 -4.586 0.174 49 HD21 LEU 6 1HD2 LEU 6 15.695 -2.273 -2.945 50 HD22 LEU 6 2HD2 LEU 6 16.136 -3.963 -3.283 51 HD23 LEU 6 3HD2 LEU 6 17.405 -2.737 -3.032 52 H ASN 7 H ASN 7 13.217 -3.236 1.589 53 HA ASN 7 HA ASN 7 11.608 -4.239 2.832 54 HB2 ASN 7 1HB ASN 7 9.807 -3.490 0.515 55 HB3 ASN 7 2HB ASN 7 9.291 -3.855 2.167 56 HD21 ASN 7 1HD2 ASN 7 10.314 -0.151 1.187 57 HD22 ASN 7 2HD2 ASN 7 9.916 -1.429 0.065 58 H VAL 8 H VAL 8 13.059 -6.181 1.761 59 HA VAL 8 HA VAL 8 11.110 -8.193 0.710 60 HB VAL 8 HB VAL 8 12.747 -9.070 -0.636 61 HG11 VAL 8 1HG1 VAL 8 14.292 -6.535 0.023 62 HG12 VAL 8 2HG1 VAL 8 14.361 -7.485 -1.479 63 HG13 VAL 8 3HG1 VAL 8 12.879 -6.601 -1.074 64 HG21 VAL 8 1HG2 VAL 8 14.700 -8.571 1.611 65 HG22 VAL 8 2HG2 VAL 8 14.093 -10.118 1.002 66 HG23 VAL 8 3HG2 VAL 8 15.210 -9.153 0.021 67 H LEU 9 H LEU 9 11.470 -10.441 1.659 68 HA LEU 9 HA LEU 9 12.074 -10.135 4.562 69 HB2 LEU 9 1HB LEU 9 10.717 -12.379 3.037 70 HB3 LEU 9 2HB LEU 9 10.945 -12.318 4.779 71 HG LEU 9 HG LEU 9 9.231 -10.413 3.147 72 HD11 LEU 9 1HD1 LEU 9 7.351 -11.546 4.249 73 HD12 LEU 9 2HD1 LEU 9 8.479 -12.638 5.085 74 HD13 LEU 9 3HD1 LEU 9 8.323 -12.700 3.312 75 HD21 LEU 9 1HD2 LEU 9 10.107 -9.243 5.103 76 HD22 LEU 9 2HD2 LEU 9 9.663 -10.604 6.157 77 HD23 LEU 9 3HD2 LEU 9 8.401 -9.636 5.368 78 H ALA 10 H ALA 10 13.600 -11.428 5.621 79 HA ALA 10 HA ALA 10 15.124 -13.358 3.925 80 HB1 ALA 10 1HB ALA 10 16.380 -11.180 5.643 81 HB2 ALA 10 2HB ALA 10 17.251 -12.465 4.767 82 HB3 ALA 10 3HB ALA 10 16.353 -11.230 3.866 83 H LYS 11 H LYS 11 15.945 -15.121 5.054 84 HA LYS 11 HA LYS 11 14.962 -15.378 7.867 85 HB2 LYS 11 1HB LYS 11 14.122 -17.069 6.382 86 HB3 LYS 11 2HB LYS 11 15.732 -17.458 5.788 87 HG2 LYS 11 1HG LYS 11 16.357 -18.475 7.846 88 HG3 LYS 11 2HG LYS 11 14.983 -17.777 8.713 89 HD2 LYS 11 1HD LYS 11 14.628 -19.786 6.473 90 HD3 LYS 11 2HD LYS 11 14.877 -20.258 8.167 91 HE2 LYS 11 1HE LYS 11 12.929 -18.702 8.748 92 HE3 LYS 11 2HE LYS 11 12.584 -18.649 7.009 93 HZ1 LYS 11 1HZ LYS 11 11.277 -20.332 8.136 94 HZ2 LYS 11 2HZ LYS 11 12.631 -21.092 8.687 95 HZ3 LYS 11 3HZ LYS 11 12.306 -21.060 7.069 96 H ALA 12 H ALA 12 16.294 -15.770 9.535 97 HA ALA 12 HA ALA 12 19.177 -15.481 9.202 98 HB1 ALA 12 1HB ALA 12 18.023 -14.612 11.183 99 HB2 ALA 12 2HB ALA 12 17.409 -16.227 11.578 100 HB3 ALA 12 3HB ALA 12 19.150 -15.893 11.679 101 H LEU 13 H LEU 13 20.637 -17.089 8.783 102 HA LEU 13 HA LEU 13 19.736 -19.929 9.005 103 HB2 LEU 13 1HB LEU 13 22.367 -18.711 8.117 104 HB3 LEU 13 2HB LEU 13 21.980 -20.415 8.090 105 HG LEU 13 HG LEU 13 21.790 -19.948 5.942 106 HD11 LEU 13 1HD1 LEU 13 19.564 -20.770 6.655 107 HD12 LEU 13 2HD1 LEU 13 19.508 -19.788 5.181 108 HD13 LEU 13 3HD1 LEU 13 18.996 -19.081 6.725 109 HD21 LEU 13 1HD2 LEU 13 21.264 -17.905 4.910 110 HD22 LEU 13 2HD2 LEU 13 22.332 -17.556 6.270 111 HD23 LEU 13 3HD2 LEU 13 20.584 -17.249 6.416 112 H TYR 14 H TYR 14 21.331 -17.519 10.779 113 HA TYR 14 HA TYR 14 22.188 -19.533 12.776 114 HB2 TYR 14 1HB TYR 14 23.941 -17.269 11.759 115 HB3 TYR 14 2HB TYR 14 24.325 -18.385 13.075 116 HD1 TYR 14 HD1 TYR 14 24.889 -20.770 12.598 117 HD2 TYR 14 HD2 TYR 14 24.124 -17.967 9.424 118 HE1 TYR 14 HE1 TYR 14 25.885 -22.348 10.956 119 HE2 TYR 14 HE2 TYR 14 25.084 -19.568 7.779 120 HH TYR 14 HH TYR 14 26.099 -21.596 7.468 121 H ASP 15 H ASP 15 22.311 -18.673 14.888 122 HA ASP 15 HA ASP 15 20.588 -16.474 15.516 123 HB2 ASP 15 1HB ASP 15 22.787 -17.834 17.132 124 HB3 ASP 15 2HB ASP 15 21.474 -16.842 17.790 125 H ASN 16 H ASN 16 21.261 -14.420 16.415 126 HA ASN 16 HA ASN 16 24.110 -13.708 15.895 127 HB2 ASN 16 1HB ASN 16 22.596 -13.066 13.923 128 HB3 ASN 16 2HB ASN 16 21.871 -11.876 15.015 129 HD21 ASN 16 1HD2 ASN 16 24.408 -9.567 14.380 130 HD22 ASN 16 2HD2 ASN 16 22.730 -9.894 14.787 131 H VAL 17 H VAL 17 24.969 -12.551 17.458 132 HA VAL 17 HA VAL 17 23.153 -11.280 19.448 133 HB VAL 17 HB VAL 17 26.052 -12.213 19.750 134 HG11 VAL 17 1HG1 VAL 17 24.126 -10.980 21.777 135 HG12 VAL 17 2HG1 VAL 17 25.736 -11.635 22.152 136 HG13 VAL 17 3HG1 VAL 17 25.586 -10.209 21.109 137 HG21 VAL 17 1HG2 VAL 17 23.462 -13.342 20.921 138 HG22 VAL 17 2HG2 VAL 17 24.486 -14.123 19.695 139 HG23 VAL 17 3HG2 VAL 17 25.104 -13.883 21.342 140 H ALA 18 H ALA 18 23.168 -9.163 19.372 141 HA ALA 18 HA ALA 18 24.708 -7.801 17.343 142 HB1 ALA 18 1HB ALA 18 23.498 -5.802 18.205 143 HB2 ALA 18 2HB ALA 18 22.402 -7.154 17.833 144 HB3 ALA 18 3HB ALA 18 22.837 -6.792 19.524 145 H GLU 19 H GLU 19 26.641 -6.883 17.571 146 HA GLU 19 HA GLU 19 27.740 -6.577 20.352 147 HB2 GLU 19 1HB GLU 19 29.115 -6.857 17.653 148 HB3 GLU 19 2HB GLU 19 29.950 -6.608 19.196 149 HG2 GLU 19 1HG GLU 19 29.025 -8.725 20.044 150 HG3 GLU 19 2HG GLU 19 28.169 -8.976 18.519 151 H SER 20 H SER 20 26.721 -4.994 17.493 152 HA SER 20 HA SER 20 27.861 -2.371 18.390 153 HB2 SER 20 1HB SER 20 28.419 -2.873 16.083 154 HB3 SER 20 2HB SER 20 26.758 -3.374 15.734 155 HG SER 20 HG SER 20 27.462 -1.159 15.091 156 HA PRO 21 HA PRO 21 23.755 -1.414 19.712 157 HB2 PRO 21 1HB PRO 21 23.717 1.319 19.489 158 HB3 PRO 21 2HB PRO 21 24.679 0.461 20.738 159 HG2 PRO 21 1HG PRO 21 25.583 1.489 18.047 160 HG3 PRO 21 2HG PRO 21 26.316 1.760 19.659 161 HD2 PRO 21 1HD PRO 21 27.272 -0.102 18.038 162 HD3 PRO 21 2HD PRO 21 27.137 -0.396 19.805 163 H ASP 22 H ASP 22 24.877 -0.721 16.513 164 HA ASP 22 HA ASP 22 22.182 0.038 15.536 165 HB2 ASP 22 1HB ASP 22 24.994 0.073 14.429 166 HB3 ASP 22 2HB ASP 22 23.622 0.020 13.313 167 H GLU 23 H GLU 23 23.818 -2.779 16.298 168 HA GLU 23 HA GLU 23 23.018 -4.207 13.837 169 HB2 GLU 23 1HB GLU 23 25.273 -4.529 14.859 170 HB3 GLU 23 2HB GLU 23 24.496 -5.213 16.287 171 HG2 GLU 23 1HG GLU 23 23.566 -7.026 14.899 172 HG3 GLU 23 2HG GLU 23 24.330 -6.321 13.473 173 H LEU 24 H LEU 24 21.550 -5.921 13.807 174 HA LEU 24 HA LEU 24 19.621 -5.917 16.066 175 HB2 LEU 24 1HB LEU 24 19.580 -7.243 13.348 176 HB3 LEU 24 2HB LEU 24 18.346 -7.496 14.569 177 HG LEU 24 HG LEU 24 19.007 -4.841 13.259 178 HD11 LEU 24 1HD1 LEU 24 17.946 -6.311 11.684 179 HD12 LEU 24 2HD1 LEU 24 16.732 -5.150 12.251 180 HD13 LEU 24 3HD1 LEU 24 16.734 -6.811 12.882 181 HD21 LEU 24 1HD2 LEU 24 16.860 -4.127 14.375 182 HD22 LEU 24 2HD2 LEU 24 18.201 -4.434 15.492 183 HD23 LEU 24 3HD2 LEU 24 16.904 -5.644 15.304 184 H SER 25 H SER 25 19.115 -7.638 17.294 185 HA SER 25 HA SER 25 20.920 -9.997 17.088 186 HB2 SER 25 1HB SER 25 21.123 -8.712 19.225 187 HB3 SER 25 2HB SER 25 19.392 -8.966 19.513 188 HG SER 25 HG SER 25 21.033 -11.196 18.976 189 H PHE 26 H PHE 26 19.964 -11.882 16.753 190 HA PHE 26 HA PHE 26 17.071 -12.260 17.068 191 HB2 PHE 26 1HB PHE 26 16.747 -12.848 14.663 192 HB3 PHE 26 2HB PHE 26 17.012 -11.137 14.975 193 HD1 PHE 26 HD1 PHE 26 18.762 -14.245 13.839 194 HD2 PHE 26 HD2 PHE 26 18.699 -9.945 13.914 195 HE1 PHE 26 HE1 PHE 26 20.582 -14.189 12.145 196 HE2 PHE 26 HE2 PHE 26 20.490 -9.883 12.221 197 HZ PHE 26 HZ PHE 26 21.428 -12.023 11.310 198 H ARG 27 H ARG 27 16.390 -14.393 16.097 199 HA ARG 27 HA ARG 27 18.394 -16.441 17.006 200 HB2 ARG 27 1HB ARG 27 16.536 -16.515 18.431 201 HB3 ARG 27 2HB ARG 27 15.440 -15.940 17.196 202 HG2 ARG 27 1HG ARG 27 14.722 -18.109 17.715 203 HG3 ARG 27 2HG ARG 27 15.529 -18.237 16.146 204 HD2 ARG 27 1HD ARG 27 17.582 -18.899 17.333 205 HD3 ARG 27 2HD ARG 27 16.705 -18.894 18.855 206 HE ARG 27 HE ARG 27 15.234 -20.584 17.288 207 HH11 ARG 27 1HH1 ARG 27 18.709 -20.455 17.959 208 HH12 ARG 27 2HH1 ARG 27 18.888 -22.187 17.828 209 HH21 ARG 27 1HH2 ARG 27 15.549 -22.784 17.115 210 HH22 ARG 27 2HH2 ARG 27 17.129 -23.479 17.348 211 H LYS 28 H LYS 28 18.616 -18.336 15.882 212 HA LYS 28 HA LYS 28 18.618 -18.215 13.021 213 HB2 LYS 28 1HB LYS 28 20.032 -19.688 14.401 214 HB3 LYS 28 2HB LYS 28 18.617 -20.559 14.974 215 HG2 LYS 28 1HG LYS 28 18.275 -21.594 12.878 216 HG3 LYS 28 2HG LYS 28 19.404 -20.491 12.064 217 HD2 LYS 28 1HD LYS 28 21.259 -21.330 13.391 218 HD3 LYS 28 2HD LYS 28 20.189 -22.396 14.308 219 HE2 LYS 28 1HE LYS 28 20.116 -23.965 12.630 220 HE3 LYS 28 2HE LYS 28 20.241 -22.737 11.339 221 HZ1 LYS 28 1HZ LYS 28 22.548 -22.456 11.827 222 HZ2 LYS 28 2HZ LYS 28 22.302 -24.080 11.631 223 HZ3 LYS 28 3HZ LYS 28 22.484 -23.444 13.146 224 H GLY 29 H GLY 29 17.056 -18.406 11.598 225 HA2 GLY 29 1HA GLY 29 15.165 -19.550 10.689 226 HA3 GLY 29 2HA GLY 29 14.604 -19.931 12.323 227 H ASP 30 H ASP 30 15.508 -16.834 12.741 228 HA ASP 30 HA ASP 30 12.788 -15.871 12.696 229 HB2 ASP 30 1HB ASP 30 15.477 -14.499 13.071 230 HB3 ASP 30 2HB ASP 30 13.949 -13.616 13.089 231 H ILE 31 H ILE 31 12.026 -13.991 11.543 232 HA ILE 31 HA ILE 31 13.242 -13.709 8.828 233 HB ILE 31 HB ILE 31 10.306 -13.416 9.626 234 HG12 ILE 31 1HG1 ILE 31 10.887 -15.765 9.599 235 HG13 ILE 31 2HG1 ILE 31 9.928 -15.378 8.179 236 HG21 ILE 31 1HG2 ILE 31 10.788 -11.863 7.841 237 HG22 ILE 31 2HG2 ILE 31 11.750 -13.067 6.953 238 HG23 ILE 31 3HG2 ILE 31 9.982 -13.256 7.097 239 HD11 ILE 31 1HD1 ILE 31 12.206 -15.204 6.923 240 HD12 ILE 31 2HD1 ILE 31 12.841 -16.081 8.338 241 HD13 ILE 31 3HD1 ILE 31 11.553 -16.797 7.346 242 H MET 32 H MET 32 13.926 -11.696 8.354 243 HA MET 32 HA MET 32 12.699 -9.419 9.860 244 HB2 MET 32 1HB MET 32 14.904 -8.285 9.779 245 HB3 MET 32 2HB MET 32 14.890 -9.722 10.783 246 HG2 MET 32 1HG MET 32 15.744 -10.798 8.448 247 HG3 MET 32 2HG MET 32 16.407 -9.173 8.326 248 HE1 MET 32 1HE MET 32 17.322 -12.348 11.609 249 HE2 MET 32 2HE MET 32 15.690 -11.662 11.458 250 HE3 MET 32 3HE MET 32 16.378 -12.625 10.128 251 H THR 33 H THR 33 12.709 -7.433 8.740 252 HA THR 33 HA THR 33 12.256 -7.859 5.831 253 HB THR 33 HB THR 33 11.792 -5.411 7.602 254 HG1 THR 33 HG1 THR 33 10.394 -7.024 8.194 255 HG21 THR 33 1HG2 THR 33 12.015 -4.725 5.303 256 HG22 THR 33 2HG2 THR 33 10.289 -4.727 5.722 257 HG23 THR 33 3HG2 THR 33 10.962 -6.060 4.752 258 H VAL 34 H VAL 34 13.986 -7.586 4.503 259 HA VAL 34 HA VAL 34 16.286 -5.981 5.336 260 HB VAL 34 HB VAL 34 15.711 -7.194 2.624 261 HG11 VAL 34 1HG1 VAL 34 18.196 -7.126 2.381 262 HG12 VAL 34 2HG1 VAL 34 17.475 -5.511 2.526 263 HG13 VAL 34 3HG1 VAL 34 18.296 -6.244 3.926 264 HG21 VAL 34 1HG2 VAL 34 17.223 -9.026 3.417 265 HG22 VAL 34 2HG2 VAL 34 17.097 -8.355 5.054 266 HG23 VAL 34 3HG2 VAL 34 15.649 -8.974 4.220 267 H LEU 35 H LEU 35 16.456 -3.904 5.089 268 HA LEU 35 HA LEU 35 14.515 -2.495 3.353 269 HB2 LEU 35 1HB LEU 35 16.483 -1.546 5.451 270 HB3 LEU 35 2HB LEU 35 15.332 -0.519 4.609 271 HG LEU 35 HG LEU 35 14.551 -2.863 6.374 272 HD11 LEU 35 1HD1 LEU 35 14.748 0.093 6.923 273 HD12 LEU 35 2HD1 LEU 35 15.657 -1.236 7.689 274 HD13 LEU 35 3HD1 LEU 35 13.911 -1.079 7.966 275 HD21 LEU 35 1HD2 LEU 35 12.817 -2.321 4.734 276 HD22 LEU 35 2HD2 LEU 35 12.917 -0.600 5.158 277 HD23 LEU 35 3HD2 LEU 35 12.315 -1.781 6.343 278 H GLU 36 H GLU 36 18.065 -2.701 3.989 279 HA GLU 36 HA GLU 36 18.445 -2.400 1.104 280 HB2 GLU 36 1HB GLU 36 19.718 -0.472 1.024 281 HB3 GLU 36 2HB GLU 36 18.350 -0.048 2.035 282 HG2 GLU 36 1HG GLU 36 19.768 -0.342 3.993 283 HG3 GLU 36 2HG GLU 36 21.133 -0.569 2.894 284 H ARG 37 H ARG 37 20.981 -2.427 0.679 285 HA ARG 37 HA ARG 37 22.215 -4.289 2.667 286 HB2 ARG 37 1HB ARG 37 22.330 -4.513 -0.354 287 HB3 ARG 37 2HB ARG 37 23.139 -5.575 0.801 288 HG2 ARG 37 1HG ARG 37 20.822 -6.224 1.650 289 HG3 ARG 37 2HG ARG 37 20.169 -5.350 0.249 290 HD2 ARG 37 1HD ARG 37 22.039 -7.729 0.232 291 HD3 ARG 37 2HD ARG 37 20.364 -7.682 -0.347 292 HE ARG 37 HE ARG 37 21.858 -5.712 -1.743 293 HH11 ARG 37 1HH1 ARG 37 21.769 -9.230 -1.545 294 HH12 ARG 37 2HH1 ARG 37 22.407 -9.429 -3.155 295 HH21 ARG 37 1HH2 ARG 37 22.670 -6.031 -3.773 296 HH22 ARG 37 2HH2 ARG 37 22.906 -7.642 -4.396 297 H ASP 38 H ASP 38 24.479 -4.111 2.732 298 HA ASP 38 HA ASP 38 26.448 -3.015 2.724 299 HB2 ASP 38 1HB ASP 38 25.695 -2.121 -0.068 300 HB3 ASP 38 2HB ASP 38 27.324 -2.310 0.599 301 H THR 39 H THR 39 24.212 -1.946 3.846 302 HA THR 39 HA THR 39 23.647 0.782 3.290 303 HB THR 39 HB THR 39 22.128 -0.612 4.588 304 HG1 THR 39 HG1 THR 39 21.947 1.519 5.115 305 HG21 THR 39 1HG2 THR 39 24.309 -0.784 6.631 306 HG22 THR 39 2HG2 THR 39 23.579 -2.102 5.681 307 HG23 THR 39 3HG2 THR 39 22.613 -1.237 6.877 308 H GLN 40 H GLN 40 24.343 2.665 4.212 309 HA GLN 40 HA GLN 40 25.847 4.163 4.985 310 HB2 GLN 40 1HB GLN 40 26.700 2.236 7.126 311 HB3 GLN 40 2HB GLN 40 26.599 3.992 7.186 312 HG2 GLN 40 1HG GLN 40 24.040 3.607 6.862 313 HG3 GLN 40 2HG GLN 40 24.390 1.947 7.348 314 HE21 GLN 40 1HE2 GLN 40 24.484 2.695 10.738 315 HE22 GLN 40 2HE2 GLN 40 24.402 1.501 9.462 316 H GLY 41 H GLY 41 26.839 1.782 3.184 317 HA2 GLY 41 1HA GLY 41 28.853 1.579 2.025 318 HA3 GLY 41 2HA GLY 41 29.633 2.684 3.174 319 H LEU 42 H LEU 42 27.795 0.208 4.694 320 HA LEU 42 HA LEU 42 30.294 -1.084 5.570 321 HB2 LEU 42 1HB LEU 42 27.412 -1.456 6.415 322 HB3 LEU 42 2HB LEU 42 28.818 -2.131 7.217 323 HG LEU 42 HG LEU 42 28.316 0.847 6.982 324 HD11 LEU 42 1HD1 LEU 42 27.602 -1.089 9.197 325 HD12 LEU 42 2HD1 LEU 42 26.472 -0.205 8.135 326 HD13 LEU 42 3HD1 LEU 42 27.490 0.685 9.287 327 HD21 LEU 42 1HD2 LEU 42 30.641 0.199 7.480 328 HD22 LEU 42 2HD2 LEU 42 30.074 -0.836 8.813 329 HD23 LEU 42 3HD2 LEU 42 29.871 0.925 8.906 330 H ASP 43 H ASP 43 30.827 -2.190 3.660 331 HA ASP 43 HA ASP 43 29.062 -3.709 2.069 332 HB2 ASP 43 1HB ASP 43 32.007 -3.724 2.574 333 HB3 ASP 43 2HB ASP 43 31.311 -5.181 1.848 334 H GLY 44 H GLY 44 28.024 -5.563 2.257 335 HA2 GLY 44 1HA GLY 44 27.709 -7.776 2.980 336 HA3 GLY 44 2HA GLY 44 29.029 -7.601 4.143 337 H TRP 45 H TRP 45 27.478 -4.918 4.993 338 HA TRP 45 HA TRP 45 25.790 -6.324 6.968 339 HB2 TRP 45 1HB TRP 45 26.847 -3.529 6.580 340 HB3 TRP 45 2HB TRP 45 25.637 -3.862 7.778 341 HD1 TRP 45 HD1 TRP 45 29.341 -4.007 7.240 342 HE1 TRP 45 HE1 TRP 45 30.563 -4.970 9.252 343 HE3 TRP 45 HE3 TRP 45 25.256 -5.838 9.664 344 HZ2 TRP 45 HZ2 TRP 45 29.828 -6.479 11.592 345 HZ3 TRP 45 HZ3 TRP 45 25.565 -7.017 11.832 346 HH2 TRP 45 HH2 TRP 45 27.824 -7.348 12.772 347 H TRP 46 H TRP 46 23.606 -6.386 6.802 348 HA TRP 46 HA TRP 46 22.371 -4.755 4.610 349 HB2 TRP 46 1HB TRP 46 21.520 -7.426 5.794 350 HB3 TRP 46 2HB TRP 46 20.634 -6.530 4.554 351 HD1 TRP 46 HD1 TRP 46 24.054 -6.052 3.484 352 HE1 TRP 46 HE1 TRP 46 24.884 -7.729 1.786 353 HE3 TRP 46 HE3 TRP 46 20.357 -9.561 4.112 354 HZ2 TRP 46 HZ2 TRP 46 24.089 -10.308 0.838 355 HZ3 TRP 46 HZ3 TRP 46 20.493 -11.666 2.786 356 HH2 TRP 46 HH2 TRP 46 22.323 -12.018 1.143 357 H LEU 47 H LEU 47 20.937 -3.250 5.200 358 HA LEU 47 HA LEU 47 20.268 -2.886 8.025 359 HB2 LEU 47 1HB LEU 47 20.567 -0.979 6.460 360 HB3 LEU 47 2HB LEU 47 19.235 -1.576 5.484 361 HG LEU 47 HG LEU 47 17.674 -1.101 7.288 362 HD11 LEU 47 1HD1 LEU 47 18.436 0.238 9.257 363 HD12 LEU 47 2HD1 LEU 47 20.112 -0.142 8.800 364 HD13 LEU 47 3HD1 LEU 47 18.986 -1.444 9.257 365 HD21 LEU 47 1HD2 LEU 47 19.505 1.241 6.652 366 HD22 LEU 47 2HD2 LEU 47 17.815 1.354 7.204 367 HD23 LEU 47 3HD2 LEU 47 18.183 0.635 5.626 368 H CYS 48 H CYS 48 18.652 -3.928 9.023 369 HA CYS 48 HA CYS 48 16.294 -4.677 7.374 370 HB2 CYS 48 1HB CYS 48 17.531 -6.518 9.456 371 HB3 CYS 48 2HB CYS 48 16.198 -6.870 8.361 372 HG CYS 48 HG CYS 48 19.361 -6.260 7.612 373 H SER 49 H SER 49 14.471 -5.384 8.777 374 HA SER 49 HA SER 49 14.453 -3.873 11.355 375 HB2 SER 49 1HB SER 49 12.743 -2.609 10.673 376 HB3 SER 49 2HB SER 49 13.124 -3.126 9.035 377 HG SER 49 HG SER 49 10.965 -3.536 9.437 378 H LEU 50 H LEU 50 13.785 -4.998 13.026 379 HA LEU 50 HA LEU 50 12.180 -7.474 12.662 380 HB2 LEU 50 1HB LEU 50 14.585 -8.128 12.490 381 HB3 LEU 50 2HB LEU 50 14.889 -7.336 14.033 382 HG LEU 50 HG LEU 50 12.817 -9.142 14.567 383 HD11 LEU 50 1HD1 LEU 50 13.567 -11.253 13.789 384 HD12 LEU 50 2HD1 LEU 50 14.959 -10.502 12.975 385 HD13 LEU 50 3HD1 LEU 50 13.305 -10.180 12.390 386 HD21 LEU 50 1HD2 LEU 50 15.810 -9.302 15.026 387 HD22 LEU 50 2HD2 LEU 50 14.595 -10.299 15.861 388 HD23 LEU 50 3HD2 LEU 50 14.601 -8.539 16.086 389 H HIS 51 H HIS 51 10.755 -7.622 14.320 390 HA HIS 51 HA HIS 51 9.588 -7.098 16.221 391 HB2 HIS 51 1HB HIS 51 12.354 -6.770 17.435 392 HB3 HIS 51 2HB HIS 51 10.847 -6.999 18.324 393 HD1 HIS 51 HD1 HIS 51 13.168 -9.027 18.678 394 HD2 HIS 51 HD2 HIS 51 10.071 -9.474 15.930 395 HE1 HIS 51 HE1 HIS 51 12.992 -11.499 18.155 396 H GLY 52 H GLY 52 10.234 -4.829 14.415 397 HA2 GLY 52 1HA GLY 52 9.616 -2.592 14.485 398 HA3 GLY 52 2HA GLY 52 9.392 -2.725 16.232 399 H ARG 53 H ARG 53 12.507 -3.819 15.259 400 HA ARG 53 HA ARG 53 13.682 -1.154 15.966 401 HB2 ARG 53 1HB ARG 53 13.885 -3.431 17.451 402 HB3 ARG 53 2HB ARG 53 15.187 -3.736 16.307 403 HG2 ARG 53 1HG ARG 53 14.960 -1.331 18.173 404 HG3 ARG 53 2HG ARG 53 16.027 -2.729 18.388 405 HD2 ARG 53 1HD ARG 53 16.959 -2.086 16.043 406 HD3 ARG 53 2HD ARG 53 16.200 -0.521 16.333 407 HE ARG 53 HE ARG 53 18.636 -1.575 17.522 408 HH11 ARG 53 1HH1 ARG 53 16.080 0.827 17.983 409 HH12 ARG 53 2HH1 ARG 53 17.116 1.872 18.914 410 HH21 ARG 53 1HH2 ARG 53 19.899 -0.177 18.675 411 HH22 ARG 53 2HH2 ARG 53 19.232 1.302 19.313 412 H GLN 54 H GLN 54 15.198 -0.433 14.487 413 HA GLN 54 HA GLN 54 15.601 -2.119 12.059 414 HB2 GLN 54 1HB GLN 54 15.042 0.681 12.541 415 HB3 GLN 54 2HB GLN 54 16.592 0.507 11.704 416 HG2 GLN 54 1HG GLN 54 15.480 -0.844 9.993 417 HG3 GLN 54 2HG GLN 54 13.940 -0.644 10.845 418 HE21 GLN 54 1HE2 GLN 54 15.576 2.740 9.147 419 HE22 GLN 54 2HE2 GLN 54 16.617 1.578 9.929 420 H GLY 55 H GLY 55 17.722 -2.576 11.385 421 HA2 GLY 55 1HA GLY 55 19.998 -1.207 12.411 422 HA3 GLY 55 2HA GLY 55 19.726 -2.657 13.386 423 H ILE 56 H ILE 56 22.067 -2.553 12.118 424 HA ILE 56 HA ILE 56 21.816 -3.773 9.446 425 HB ILE 56 HB ILE 56 24.284 -3.711 9.376 426 HG12 ILE 56 1HG1 ILE 56 24.051 -2.760 12.282 427 HG13 ILE 56 2HG1 ILE 56 24.672 -4.324 11.770 428 HG21 ILE 56 1HG2 ILE 56 24.527 -1.333 9.368 429 HG22 ILE 56 2HG2 ILE 56 22.808 -1.618 9.037 430 HG23 ILE 56 3HG2 ILE 56 23.321 -1.103 10.660 431 HD11 ILE 56 1HD1 ILE 56 26.476 -3.058 10.515 432 HD12 ILE 56 2HD1 ILE 56 25.907 -1.595 11.352 433 HD13 ILE 56 3HD1 ILE 56 26.533 -2.964 12.287 434 H VAL 57 H VAL 57 22.746 -5.777 8.896 435 HA VAL 57 HA VAL 57 23.041 -7.772 11.099 436 HB VAL 57 HB VAL 57 21.277 -8.082 8.658 437 HG11 VAL 57 1HG1 VAL 57 20.579 -10.210 9.730 438 HG12 VAL 57 2HG1 VAL 57 22.216 -10.165 9.051 439 HG13 VAL 57 3HG1 VAL 57 21.973 -9.998 10.801 440 HG21 VAL 57 1HG2 VAL 57 20.552 -7.769 11.558 441 HG22 VAL 57 2HG2 VAL 57 20.120 -6.682 10.224 442 HG23 VAL 57 3HG2 VAL 57 19.401 -8.303 10.309 443 HA PRO 58 HA PRO 58 26.215 -8.777 8.135 444 HB2 PRO 58 1HB PRO 58 27.019 -11.248 8.995 445 HB3 PRO 58 2HB PRO 58 27.413 -9.742 9.883 446 HG2 PRO 58 1HG PRO 58 25.213 -11.709 10.410 447 HG3 PRO 58 2HG PRO 58 26.381 -10.989 11.557 448 HD2 PRO 58 1HD PRO 58 23.849 -10.042 11.221 449 HD3 PRO 58 2HD PRO 58 25.220 -8.980 11.633 450 H GLY 59 H GLY 59 25.640 -9.256 6.078 451 HA2 GLY 59 1HA GLY 59 23.405 -10.851 5.385 452 HA3 GLY 59 2HA GLY 59 24.707 -10.354 4.293 453 H ASN 60 H ASN 60 26.693 -11.737 6.069 454 HA ASN 60 HA ASN 60 26.807 -14.240 4.722 455 HB2 ASN 60 1HB ASN 60 28.653 -12.809 5.876 456 HB3 ASN 60 2HB ASN 60 28.183 -13.657 7.358 457 HD21 ASN 60 1HD2 ASN 60 30.794 -15.804 6.307 458 HD22 ASN 60 2HD2 ASN 60 30.386 -14.445 7.337 459 H ARG 61 H ARG 61 24.885 -13.317 7.429 460 HA ARG 61 HA ARG 61 24.523 -16.203 8.170 461 HB2 ARG 61 1HB ARG 61 24.109 -13.690 9.835 462 HB3 ARG 61 2HB ARG 61 23.729 -15.335 10.364 463 HG2 ARG 61 1HG ARG 61 26.106 -15.969 10.135 464 HG3 ARG 61 2HG ARG 61 26.503 -14.320 9.621 465 HD2 ARG 61 1HD ARG 61 25.746 -13.443 11.790 466 HD3 ARG 61 2HD ARG 61 25.291 -15.081 12.297 467 HE ARG 61 HE ARG 61 28.009 -15.160 11.491 468 HH11 ARG 61 1HH1 ARG 61 26.148 -13.639 14.107 469 HH12 ARG 61 2HH1 ARG 61 27.495 -13.744 15.211 470 HH21 ARG 61 1HH2 ARG 61 29.632 -15.228 12.937 471 HH22 ARG 61 2HH2 ARG 61 29.438 -14.602 14.559 472 H LEU 62 H LEU 62 23.211 -14.085 6.158 473 HA LEU 62 HA LEU 62 20.399 -14.744 6.940 474 HB2 LEU 62 1HB LEU 62 21.682 -12.234 5.999 475 HB3 LEU 62 2HB LEU 62 20.142 -12.636 5.257 476 HG LEU 62 HG LEU 62 20.635 -12.240 8.200 477 HD11 LEU 62 1HD1 LEU 62 19.267 -10.222 7.853 478 HD12 LEU 62 2HD1 LEU 62 19.130 -10.613 6.119 479 HD13 LEU 62 3HD1 LEU 62 20.713 -10.201 6.826 480 HD21 LEU 62 1HD2 LEU 62 18.127 -13.021 6.719 481 HD22 LEU 62 2HD2 LEU 62 18.096 -12.227 8.304 482 HD23 LEU 62 3HD2 LEU 62 18.876 -13.792 8.128 483 H LYS 63 H LYS 63 18.901 -15.105 5.373 484 HA LYS 63 HA LYS 63 19.968 -15.516 2.599 485 HB2 LYS 63 1HB LYS 63 19.666 -17.711 3.635 486 HB3 LYS 63 2HB LYS 63 18.023 -17.298 4.121 487 HG2 LYS 63 1HG LYS 63 17.307 -17.201 1.798 488 HG3 LYS 63 2HG LYS 63 18.964 -17.466 1.231 489 HD2 LYS 63 1HD LYS 63 17.462 -19.451 2.972 490 HD3 LYS 63 2HD LYS 63 17.446 -19.490 1.197 491 HE2 LYS 63 1HE LYS 63 19.929 -19.594 1.211 492 HE3 LYS 63 2HE LYS 63 19.886 -19.704 2.977 493 HZ1 LYS 63 1HZ LYS 63 18.692 -21.665 1.107 494 HZ2 LYS 63 2HZ LYS 63 18.638 -21.769 2.754 495 HZ3 LYS 63 3HZ LYS 63 20.082 -21.879 1.967 496 H ILE 64 H ILE 64 19.002 -14.233 1.242 497 HA ILE 64 HA ILE 64 16.594 -12.792 1.883 498 HB ILE 64 HB ILE 64 17.929 -13.297 -0.821 499 HG12 ILE 64 1HG1 ILE 64 19.480 -12.218 0.764 500 HG13 ILE 64 2HG1 ILE 64 19.029 -11.151 -0.555 501 HG21 ILE 64 1HG2 ILE 64 15.830 -11.329 0.091 502 HG22 ILE 64 2HG2 ILE 64 16.794 -11.077 -1.381 503 HG23 ILE 64 3HG2 ILE 64 15.733 -12.498 -1.242 504 HD11 ILE 64 1HD1 ILE 64 18.031 -11.006 2.313 505 HD12 ILE 64 2HD1 ILE 64 19.077 -9.850 1.470 506 HD13 ILE 64 3HD1 ILE 64 17.383 -10.002 0.993 507 H LEU 65 H LEU 65 14.523 -13.419 1.657 508 HA LEU 65 HA LEU 65 13.990 -15.954 0.172 509 HB2 LEU 65 1HB LEU 65 12.221 -14.437 2.119 510 HB3 LEU 65 2HB LEU 65 11.920 -16.035 1.438 511 HG LEU 65 HG LEU 65 14.082 -15.282 3.439 512 HD11 LEU 65 1HD1 LEU 65 11.509 -16.889 3.654 513 HD12 LEU 65 2HD1 LEU 65 11.837 -15.288 4.367 514 HD13 LEU 65 3HD1 LEU 65 12.714 -16.709 4.944 515 HD21 LEU 65 1HD2 LEU 65 14.506 -17.739 3.624 516 HD22 LEU 65 2HD2 LEU 65 14.970 -17.077 2.047 517 HD23 LEU 65 3HD2 LEU 65 13.456 -18.002 2.211 518 H VAL 66 H VAL 66 13.688 -15.334 -1.932 519 HA VAL 66 HA VAL 66 12.365 -12.812 -2.559 520 HB VAL 66 HB VAL 66 12.580 -13.526 -4.932 521 HG11 VAL 66 1HG1 VAL 66 15.156 -14.002 -3.355 522 HG12 VAL 66 2HG1 VAL 66 15.028 -13.505 -5.058 523 HG13 VAL 66 3HG1 VAL 66 14.486 -12.407 -3.772 524 HG21 VAL 66 1HG2 VAL 66 13.731 -15.629 -5.531 525 HG22 VAL 66 2HG2 VAL 66 13.799 -16.103 -3.822 526 HG23 VAL 66 3HG2 VAL 66 12.230 -15.968 -4.649 527 H GLY 67 H GLY 67 10.340 -12.618 -3.662 528 HA2 GLY 67 1HA GLY 67 8.406 -14.651 -2.761 529 HA3 GLY 67 2HA GLY 67 8.036 -13.068 -3.478 530 H MET 68 H MET 68 6.905 -15.623 -4.229 531 HA MET 68 HA MET 68 6.341 -16.815 -6.086 532 HB2 MET 68 1HB MET 68 6.399 -14.260 -6.905 533 HB3 MET 68 2HB MET 68 7.674 -14.887 -7.945 534 HG2 MET 68 1HG MET 68 6.009 -16.666 -8.711 535 HG3 MET 68 2HG MET 68 4.773 -15.786 -7.805 536 HE1 MET 68 1HE MET 68 6.927 -14.292 -11.651 537 HE2 MET 68 2HE MET 68 7.848 -14.590 -10.160 538 HE3 MET 68 3HE MET 68 7.039 -15.940 -10.994 539 H TYR 69 H TYR 69 7.631 -17.145 -8.586 540 HA TYR 69 HA TYR 69 9.058 -18.612 -9.571 541 HB2 TYR 69 1HB TYR 69 11.176 -17.614 -7.645 542 HB3 TYR 69 2HB TYR 69 11.411 -18.295 -9.260 543 HD1 TYR 69 HD1 TYR 69 10.861 -15.289 -7.338 544 HD2 TYR 69 HD2 TYR 69 10.571 -16.954 -11.296 545 HE1 TYR 69 HE1 TYR 69 10.802 -12.992 -8.303 546 HE2 TYR 69 HE2 TYR 69 10.534 -14.646 -12.255 547 HH TYR 69 HH TYR 69 10.598 -12.396 -11.811 548 H ASP 70 H ASP 70 11.413 -19.803 -8.228 549 HA ASP 70 HA ASP 70 11.884 -21.890 -7.492 550 HB2 ASP 70 1HB ASP 70 11.775 -20.072 -5.576 551 HB3 ASP 70 2HB ASP 70 10.569 -21.177 -4.904 552 H LYS 71 H LYS 71 9.428 -22.255 -8.873 553 HA LYS 71 HA LYS 71 7.689 -23.924 -7.251 554 HB2 LYS 71 1HB LYS 71 7.902 -23.639 -10.274 555 HB3 LYS 71 2HB LYS 71 6.603 -24.469 -9.404 556 HG2 LYS 71 1HG LYS 71 6.144 -22.256 -8.219 557 HG3 LYS 71 2HG LYS 71 7.234 -21.499 -9.392 558 HD2 LYS 71 1HD LYS 71 4.756 -23.117 -10.117 559 HD3 LYS 71 2HD LYS 71 4.809 -21.348 -10.006 560 HE2 LYS 71 1HE LYS 71 6.582 -21.320 -11.777 561 HE3 LYS 71 2HE LYS 71 6.407 -23.080 -11.941 562 HZ1 LYS 71 1HZ LYS 71 4.249 -21.097 -12.409 563 HZ2 LYS 71 2HZ LYS 71 4.090 -22.731 -12.558 564 HZ3 LYS 71 3HZ LYS 71 5.082 -21.903 -13.584 565 H LYS 72 H LYS 72 9.627 -25.197 -6.440 566 HA LYS 72 HA LYS 72 9.920 -27.685 -8.095 567 HB2 LYS 72 1HB LYS 72 12.107 -26.070 -6.725 568 HB3 LYS 72 2HB LYS 72 12.326 -27.746 -7.224 569 HG2 LYS 72 1HG LYS 72 12.170 -27.221 -9.538 570 HG3 LYS 72 2HG LYS 72 11.536 -25.596 -9.217 571 HD2 LYS 72 1HD LYS 72 14.269 -26.432 -8.235 572 HD3 LYS 72 2HD LYS 72 14.025 -25.804 -9.881 573 HE2 LYS 72 1HE LYS 72 13.450 -23.682 -9.147 574 HE3 LYS 72 2HE LYS 72 12.822 -24.270 -7.603 575 HZ1 LYS 72 1HZ LYS 72 15.642 -23.845 -8.317 576 HZ2 LYS 72 2HZ LYS 72 15.187 -24.741 -7.005 577 HZ3 LYS 72 3HZ LYS 72 14.760 -23.154 -7.093 578 HA PRO 73 HA PRO 73 8.944 -29.289 -4.112 579 HB2 PRO 73 1HB PRO 73 9.935 -31.811 -4.111 580 HB3 PRO 73 2HB PRO 73 8.623 -31.320 -5.230 581 HG2 PRO 73 1HG PRO 73 11.588 -31.472 -5.751 582 HG3 PRO 73 2HG PRO 73 10.243 -32.198 -6.692 583 HD2 PRO 73 1HD PRO 73 11.369 -29.827 -7.392 584 HD3 PRO 73 2HD PRO 73 9.611 -30.135 -7.600 585 H ALA 74 H ALA 74 12.263 -28.835 -4.939 586 HA ALA 74 HA ALA 74 13.321 -29.800 -2.385 587 HB1 ALA 74 1HB ALA 74 14.651 -29.996 -4.482 588 HB2 ALA 74 2HB ALA 74 14.649 -28.220 -4.641 589 HB3 ALA 74 3HB ALA 74 15.481 -28.992 -3.272 590 H GLY 75 H GLY 75 13.964 -28.531 -0.658 591 HA2 GLY 75 1HA GLY 75 14.657 -26.392 0.238 592 HA3 GLY 75 2HA GLY 75 13.612 -25.585 -0.939 593 H SER 76 H SER 76 12.699 -24.396 0.785 594 HA SER 76 HA SER 76 11.200 -23.894 2.404 595 HB2 SER 76 1HB SER 76 9.750 -26.315 1.294 596 HB3 SER 76 2HB SER 76 9.036 -25.049 2.321 597 HG SER 76 HG SER 76 9.953 -24.906 -0.337 598 H GLY 77 H GLY 77 10.294 -27.293 2.868 599 HA2 GLY 77 1HA GLY 77 10.760 -26.954 5.734 600 HA3 GLY 77 2HA GLY 77 10.005 -28.328 4.923 601 H GLY 78 H GLY 78 13.265 -26.862 4.561 602 HA2 GLY 78 1HA GLY 78 14.513 -29.397 4.234 603 HA3 GLY 78 2HA GLY 78 15.339 -27.875 4.586 604 H SER 79 H SER 79 13.907 -27.522 7.186 605 HA SER 79 HA SER 79 14.591 -29.896 8.756 606 HB2 SER 79 1HB SER 79 16.792 -28.760 8.658 607 HB3 SER 79 2HB SER 79 16.043 -27.249 9.216 608 HG SER 79 HG SER 79 17.046 -29.134 10.709 609 H GLY 80 H GLY 80 13.381 -29.909 10.652 610 HA2 GLY 80 1HA GLY 80 11.277 -27.853 10.729 611 HA3 GLY 80 2HA GLY 80 11.294 -29.390 11.594 612 H SER 81 H SER 81 13.941 -28.983 12.817 613 HA SER 81 HA SER 81 13.375 -26.669 14.600 614 HB2 SER 81 1HB SER 81 13.851 -29.478 15.638 615 HB3 SER 81 2HB SER 81 13.441 -28.030 16.583 616 HG SER 81 HG SER 81 11.495 -28.026 15.084 617 H GLY 82 H GLY 82 15.649 -27.974 12.697 618 HA2 GLY 82 1HA GLY 82 17.926 -27.479 12.640 619 HA3 GLY 82 2HA GLY 82 17.822 -26.826 14.285 620 H LEU 83 H LEU 83 17.528 -28.425 16.051 621 HA LEU 83 HA LEU 83 18.381 -30.162 17.277 622 HB2 LEU 83 1HB LEU 83 17.872 -31.794 14.773 623 HB3 LEU 83 2HB LEU 83 18.062 -32.420 16.405 624 HG LEU 83 HG LEU 83 15.780 -30.637 15.487 625 HD11 LEU 83 1HD1 LEU 83 15.753 -32.855 14.412 626 HD12 LEU 83 2HD1 LEU 83 14.424 -32.685 15.582 627 HD13 LEU 83 3HD1 LEU 83 15.872 -33.633 16.008 628 HD21 LEU 83 1HD2 LEU 83 14.713 -31.356 17.624 629 HD22 LEU 83 2HD2 LEU 83 16.177 -30.394 17.891 630 HD23 LEU 83 3HD2 LEU 83 16.229 -32.161 18.092 631 H THR 84 H THR 84 20.329 -28.568 16.045 632 HA THR 84 HA THR 84 22.607 -30.413 15.939 633 HB THR 84 HB THR 84 21.803 -30.246 13.547 634 HG1 THR 84 HG1 THR 84 23.886 -29.334 12.777 635 HG21 THR 84 1HG2 THR 84 20.834 -27.969 13.683 636 HG22 THR 84 2HG2 THR 84 21.995 -28.131 12.355 637 HG23 THR 84 3HG2 THR 84 22.472 -27.295 13.847 638 H ASP 85 H ASP 85 24.654 -29.042 15.881 639 HA ASP 85 HA ASP 85 24.223 -26.312 17.028 640 HB2 ASP 85 1HB ASP 85 25.000 -27.933 18.799 641 HB3 ASP 85 2HB ASP 85 26.425 -28.272 17.802 642 H GLU 86 H GLU 86 25.110 -24.868 15.690 643 HA GLU 86 HA GLU 86 27.244 -25.718 13.797 644 HB2 GLU 86 1HB GLU 86 24.535 -24.534 13.111 645 HB3 GLU 86 2HB GLU 86 25.911 -24.486 12.000 646 HG2 GLU 86 1HG GLU 86 25.998 -26.923 11.923 647 HG3 GLU 86 2HG GLU 86 24.708 -27.035 13.128 648 H LEU 87 H LEU 87 28.792 -24.389 14.533 649 HA LEU 87 HA LEU 87 28.306 -21.798 15.625 650 HB2 LEU 87 1HB LEU 87 30.820 -23.015 14.432 651 HB3 LEU 87 2HB LEU 87 30.777 -21.505 15.346 652 HG LEU 87 HG LEU 87 29.906 -24.197 16.475 653 HD11 LEU 87 1HD1 LEU 87 32.084 -24.221 17.627 654 HD12 LEU 87 2HD1 LEU 87 32.562 -22.729 16.785 655 HD13 LEU 87 3HD1 LEU 87 32.297 -24.231 15.867 656 HD21 LEU 87 1HD2 LEU 87 30.516 -21.517 17.806 657 HD22 LEU 87 2HD2 LEU 87 30.210 -23.044 18.667 658 HD23 LEU 87 3HD2 LEU 87 28.926 -22.317 17.691 659 H ALA 88 H ALA 88 28.088 -19.877 14.731 660 HA ALA 88 HA ALA 88 27.433 -19.780 11.968 661 HB1 ALA 88 1HB ALA 88 26.384 -18.446 13.810 662 HB2 ALA 88 2HB ALA 88 27.862 -17.458 13.876 663 HB3 ALA 88 3HB ALA 88 26.865 -17.479 12.401 664 HA PRO 89 HA PRO 89 31.316 -18.578 10.264 665 HB2 PRO 89 1HB PRO 89 30.589 -17.240 8.005 666 HB3 PRO 89 2HB PRO 89 30.351 -19.006 8.168 667 HG2 PRO 89 1HG PRO 89 28.374 -16.787 8.660 668 HG3 PRO 89 2HG PRO 89 28.198 -18.244 7.625 669 HD2 PRO 89 1HD PRO 89 27.229 -18.192 10.136 670 HD3 PRO 89 2HD PRO 89 28.001 -19.675 9.476 671 HA PRO 90 HA PRO 90 32.132 -14.612 11.891 672 HB2 PRO 90 1HB PRO 90 33.765 -13.936 9.448 673 HB3 PRO 90 2HB PRO 90 34.228 -13.865 11.178 674 HG2 PRO 90 1HG PRO 90 35.137 -15.823 9.666 675 HG3 PRO 90 2HG PRO 90 34.514 -16.180 11.311 676 HD2 PRO 90 1HD PRO 90 33.134 -16.523 8.645 677 HD3 PRO 90 2HD PRO 90 33.249 -17.666 10.031 678 H LYS 91 H LYS 91 31.589 -12.428 11.849 679 HA LYS 91 HA LYS 91 29.791 -11.568 9.652 680 HB2 LYS 91 1HB LYS 91 29.343 -9.630 11.191 681 HB3 LYS 91 2HB LYS 91 28.905 -11.197 11.876 682 HG2 LYS 91 1HG LYS 91 30.910 -11.203 13.279 683 HG3 LYS 91 2HG LYS 91 31.478 -9.705 12.523 684 HD2 LYS 91 1HD LYS 91 30.531 -9.176 14.685 685 HD3 LYS 91 2HD LYS 91 29.482 -8.510 13.429 686 HE2 LYS 91 1HE LYS 91 27.872 -10.331 13.738 687 HE3 LYS 91 2HE LYS 91 28.978 -11.147 14.868 688 HZ1 LYS 91 1HZ LYS 91 27.713 -8.502 15.331 689 HZ2 LYS 91 2HZ LYS 91 28.745 -9.287 16.375 690 HZ3 LYS 91 3HZ LYS 91 27.257 -9.917 16.038 691 HA PRO 92 HA PRO 92 33.167 -9.169 8.067 692 HB2 PRO 92 1HB PRO 92 31.915 -6.983 6.957 693 HB3 PRO 92 2HB PRO 92 31.851 -8.616 6.223 694 HG2 PRO 92 1HG PRO 92 29.851 -7.243 7.945 695 HG3 PRO 92 2HG PRO 92 29.608 -8.140 6.429 696 HD2 PRO 92 1HD PRO 92 29.152 -9.203 8.881 697 HD3 PRO 92 2HD PRO 92 29.738 -10.194 7.503 698 HA PRO 93 HA PRO 93 34.031 -6.405 11.334 699 HB2 PRO 93 1HB PRO 93 35.836 -4.618 10.368 700 HB3 PRO 93 2HB PRO 93 36.216 -6.366 10.491 701 HG2 PRO 93 1HG PRO 93 35.231 -4.814 8.116 702 HG3 PRO 93 2HG PRO 93 36.657 -5.893 8.242 703 HD2 PRO 93 1HD PRO 93 34.299 -6.762 7.261 704 HD3 PRO 93 2HD PRO 93 35.332 -7.830 8.275 705 H LEU 94 H LEU 94 34.131 -4.065 12.070 706 HA LEU 94 HA LEU 94 32.322 -2.293 10.529 707 HB2 LEU 94 1HB LEU 94 32.081 -3.205 13.406 708 HB3 LEU 94 2HB LEU 94 31.505 -1.615 12.932 709 HG LEU 94 HG LEU 94 30.495 -4.249 11.841 710 HD11 LEU 94 1HD1 LEU 94 29.163 -2.141 13.537 711 HD12 LEU 94 2HD1 LEU 94 29.857 -3.657 14.174 712 HD13 LEU 94 3HD1 LEU 94 28.488 -3.713 13.041 713 HD21 LEU 94 1HD2 LEU 94 29.605 -1.395 11.273 714 HD22 LEU 94 2HD2 LEU 94 28.735 -2.862 10.780 715 HD23 LEU 94 3HD2 LEU 94 30.332 -2.535 10.114 716 HA PRO 95 HA PRO 95 35.342 0.743 11.779 717 HB2 PRO 95 1HB PRO 95 33.901 3.034 11.602 718 HB3 PRO 95 2HB PRO 95 34.311 2.075 10.151 719 HG2 PRO 95 1HG PRO 95 31.776 2.125 11.755 720 HG3 PRO 95 2HG PRO 95 31.989 2.242 9.981 721 HD2 PRO 95 1HD PRO 95 31.360 -0.093 11.271 722 HD3 PRO 95 2HD PRO 95 32.309 -0.056 9.759 723 H GLU 96 H GLU 96 35.641 2.570 13.378 724 HA GLU 96 HA GLU 96 34.354 1.826 15.962 725 HB2 GLU 96 1HB GLU 96 36.647 3.720 15.321 726 HB3 GLU 96 2HB GLU 96 36.060 3.324 16.945 727 HG2 GLU 96 1HG GLU 96 36.595 0.909 16.491 728 HG3 GLU 96 2HG GLU 96 37.336 1.404 14.962 729 H GLY 97 H GLY 97 32.798 3.175 13.879 730 HA2 GLY 97 1HA GLY 97 31.034 4.708 14.096 731 HA3 GLY 97 2HA GLY 97 31.808 5.402 15.530 732 H GLU 98 H GLU 98 33.999 5.040 12.971 733 HA GLU 98 HA GLU 98 34.135 7.914 12.539 734 HB2 GLU 98 1HB GLU 98 36.057 7.437 11.215 735 HB3 GLU 98 2HB GLU 98 36.107 6.350 12.603 736 HG2 GLU 98 1HG GLU 98 34.751 4.871 10.673 737 HG3 GLU 98 2HG GLU 98 35.968 5.753 9.742 738 H VAL 99 H VAL 99 34.501 8.511 10.054 739 HA VAL 99 HA VAL 99 31.969 8.389 8.773 740 HB VAL 99 HB VAL 99 33.485 10.252 8.375 741 HG11 VAL 99 1HG1 VAL 99 35.704 9.167 8.592 742 HG12 VAL 99 2HG1 VAL 99 35.438 8.241 7.108 743 HG13 VAL 99 3HG1 VAL 99 35.617 10.001 7.041 744 HG21 VAL 99 1HG2 VAL 99 33.376 10.438 5.914 745 HG22 VAL 99 2HG2 VAL 99 33.198 8.682 5.748 746 HG23 VAL 99 3HG2 VAL 99 31.912 9.639 6.507 747 HXT VAL 99 H02 VAL 99 31.889 5.614 7.032 Start of MODEL 8 1 H2 GLY 1 2H0 GLY 1 1.968 5.573 0.680 2 H GLY 1 1H0 GLY 1 2.153 3.990 1.034 3 HA2 GLY 1 1HA GLY 1 3.579 6.213 2.385 4 HA3 GLY 1 2HA GLY 1 3.781 4.493 2.774 5 H SER 2 H SER 2 5.773 6.433 2.035 6 HA SER 2 HA SER 2 6.525 5.803 -0.737 7 HB2 SER 2 1HB SER 2 8.061 7.276 1.434 8 HB3 SER 2 2HB SER 2 8.454 7.245 -0.300 9 HG SER 2 HG SER 2 6.212 8.121 -0.537 10 H MET 3 H MET 3 7.699 4.106 -1.338 11 HA MET 3 HA MET 3 9.278 2.662 0.728 12 HB2 MET 3 1HB MET 3 9.386 0.901 -1.147 13 HB3 MET 3 2HB MET 3 7.861 1.132 -0.287 14 HG2 MET 3 1HG MET 3 7.058 2.576 -2.186 15 HG3 MET 3 2HG MET 3 8.541 2.168 -3.065 16 HE1 MET 3 1HE MET 3 5.006 1.135 -1.927 17 HE2 MET 3 2HE MET 3 4.954 -0.626 -2.179 18 HE3 MET 3 3HE MET 3 5.893 0.052 -0.829 19 H LYS 4 H LYS 4 11.251 3.446 0.901 20 HA LYS 4 HA LYS 4 12.782 4.108 -1.604 21 HB2 LYS 4 1HB LYS 4 13.285 4.936 1.283 22 HB3 LYS 4 2HB LYS 4 14.377 5.249 -0.069 23 HG2 LYS 4 1HG LYS 4 12.445 6.510 -1.157 24 HG3 LYS 4 2HG LYS 4 11.670 6.461 0.443 25 HD2 LYS 4 1HD LYS 4 13.728 7.490 1.424 26 HD3 LYS 4 2HD LYS 4 14.451 7.549 -0.191 27 HE2 LYS 4 1HE LYS 4 13.609 9.732 0.255 28 HE3 LYS 4 2HE LYS 4 12.505 8.990 -0.925 29 HZ1 LYS 4 1HZ LYS 4 12.044 9.126 2.002 30 HZ2 LYS 4 2HZ LYS 4 11.000 8.480 0.901 31 HZ3 LYS 4 3HZ LYS 4 11.323 10.100 0.883 32 H TYR 5 H TYR 5 12.060 1.521 -0.178 33 HA TYR 5 HA TYR 5 14.823 0.526 0.218 34 HB2 TYR 5 1HB TYR 5 12.414 0.251 2.046 35 HB3 TYR 5 2HB TYR 5 13.807 -0.817 2.126 36 HD1 TYR 5 HD1 TYR 5 12.456 1.950 3.688 37 HD2 TYR 5 HD2 TYR 5 16.180 0.654 1.974 38 HE1 TYR 5 HE1 TYR 5 13.709 3.537 5.165 39 HE2 TYR 5 HE2 TYR 5 17.413 2.226 3.434 40 HH TYR 5 HH TYR 5 17.280 3.787 5.071 41 H LEU 6 H LEU 6 14.934 -1.800 0.251 42 HA LEU 6 HA LEU 6 13.673 -2.889 -2.103 43 HB2 LEU 6 1HB LEU 6 15.136 -4.296 0.156 44 HB3 LEU 6 2HB LEU 6 14.854 -4.932 -1.453 45 HG LEU 6 HG LEU 6 16.635 -2.564 -0.831 46 HD11 LEU 6 1HD1 LEU 6 17.486 -4.657 0.136 47 HD12 LEU 6 2HD1 LEU 6 18.490 -4.127 -1.228 48 HD13 LEU 6 3HD1 LEU 6 17.330 -5.461 -1.443 49 HD21 LEU 6 1HD2 LEU 6 16.252 -4.175 -3.382 50 HD22 LEU 6 2HD2 LEU 6 17.485 -2.916 -3.123 51 HD23 LEU 6 3HD2 LEU 6 15.765 -2.483 -3.118 52 H ASN 7 H ASN 7 13.196 -3.237 1.389 53 HA ASN 7 HA ASN 7 11.564 -4.174 2.661 54 HB2 ASN 7 1HB ASN 7 9.883 -3.303 0.287 55 HB3 ASN 7 2HB ASN 7 9.214 -3.848 1.832 56 HD21 ASN 7 1HD2 ASN 7 10.473 -0.980 3.640 57 HD22 ASN 7 2HD2 ASN 7 10.437 -2.718 3.773 58 H VAL 8 H VAL 8 13.010 -6.149 1.622 59 HA VAL 8 HA VAL 8 11.057 -8.196 0.655 60 HB VAL 8 HB VAL 8 12.737 -9.154 -0.607 61 HG11 VAL 8 1HG1 VAL 8 14.277 -6.610 -0.008 62 HG12 VAL 8 2HG1 VAL 8 14.389 -7.622 -1.463 63 HG13 VAL 8 3HG1 VAL 8 12.899 -6.712 -1.145 64 HG21 VAL 8 1HG2 VAL 8 14.567 -8.628 1.737 65 HG22 VAL 8 2HG2 VAL 8 14.075 -10.168 1.024 66 HG23 VAL 8 3HG2 VAL 8 15.222 -9.120 0.168 67 H LEU 9 H LEU 9 11.549 -10.457 1.684 68 HA LEU 9 HA LEU 9 12.110 -10.039 4.601 69 HB2 LEU 9 1HB LEU 9 10.721 -12.322 3.163 70 HB3 LEU 9 2HB LEU 9 10.990 -12.218 4.899 71 HG LEU 9 HG LEU 9 9.228 -10.352 3.272 72 HD11 LEU 9 1HD1 LEU 9 8.539 -12.550 5.261 73 HD12 LEU 9 2HD1 LEU 9 8.349 -12.644 3.494 74 HD13 LEU 9 3HD1 LEU 9 7.380 -11.486 4.428 75 HD21 LEU 9 1HD2 LEU 9 9.747 -10.495 6.273 76 HD22 LEU 9 2HD2 LEU 9 8.450 -9.555 5.511 77 HD23 LEU 9 3HD2 LEU 9 10.140 -9.148 5.183 78 H ALA 10 H ALA 10 13.624 -11.367 5.664 79 HA ALA 10 HA ALA 10 15.133 -13.291 3.943 80 HB1 ALA 10 1HB ALA 10 16.396 -11.188 3.928 81 HB2 ALA 10 2HB ALA 10 16.408 -11.174 5.708 82 HB3 ALA 10 3HB ALA 10 17.259 -12.456 4.814 83 H LYS 11 H LYS 11 15.993 -15.058 5.063 84 HA LYS 11 HA LYS 11 14.981 -15.354 7.869 85 HB2 LYS 11 1HB LYS 11 14.102 -17.035 6.374 86 HB3 LYS 11 2HB LYS 11 15.700 -17.396 5.722 87 HG2 LYS 11 1HG LYS 11 16.399 -18.495 7.677 88 HG3 LYS 11 2HG LYS 11 15.127 -17.767 8.668 89 HD2 LYS 11 1HD LYS 11 14.513 -19.713 6.436 90 HD3 LYS 11 2HD LYS 11 14.888 -20.223 8.101 91 HE2 LYS 11 1HE LYS 11 13.077 -18.492 8.797 92 HE3 LYS 11 2HE LYS 11 12.559 -18.571 7.110 93 HZ1 LYS 11 1HZ LYS 11 12.682 -20.843 9.006 94 HZ2 LYS 11 2HZ LYS 11 12.222 -20.965 7.425 95 HZ3 LYS 11 3HZ LYS 11 11.314 -20.087 8.492 96 H ALA 12 H ALA 12 16.340 -15.775 9.492 97 HA ALA 12 HA ALA 12 19.218 -15.530 9.124 98 HB1 ALA 12 1HB ALA 12 19.214 -15.919 11.551 99 HB2 ALA 12 2HB ALA 12 18.023 -14.698 11.092 100 HB3 ALA 12 3HB ALA 12 17.502 -16.349 11.490 101 H LEU 13 H LEU 13 20.663 -17.147 8.687 102 HA LEU 13 HA LEU 13 19.706 -19.962 8.725 103 HB2 LEU 13 1HB LEU 13 22.414 -18.763 8.070 104 HB3 LEU 13 2HB LEU 13 22.004 -20.455 7.930 105 HG LEU 13 HG LEU 13 21.947 -19.898 5.785 106 HD11 LEU 13 1HD1 LEU 13 19.145 -18.928 6.428 107 HD12 LEU 13 2HD1 LEU 13 19.629 -20.648 6.356 108 HD13 LEU 13 3HD1 LEU 13 19.733 -19.631 4.905 109 HD21 LEU 13 1HD2 LEU 13 22.568 -17.554 6.252 110 HD22 LEU 13 2HD2 LEU 13 20.835 -17.164 6.375 111 HD23 LEU 13 3HD2 LEU 13 21.526 -17.762 4.848 112 H TYR 14 H TYR 14 21.390 -17.697 10.676 113 HA TYR 14 HA TYR 14 22.045 -19.782 12.683 114 HB2 TYR 14 1HB TYR 14 23.952 -17.566 11.851 115 HB3 TYR 14 2HB TYR 14 24.245 -18.843 13.032 116 HD1 TYR 14 HD1 TYR 14 24.687 -21.192 12.252 117 HD2 TYR 14 HD2 TYR 14 24.193 -17.953 9.474 118 HE1 TYR 14 HE1 TYR 14 25.693 -22.581 10.441 119 HE2 TYR 14 HE2 TYR 14 25.169 -19.352 7.660 120 HH TYR 14 HH TYR 14 26.113 -21.342 7.110 121 H ASP 15 H ASP 15 22.427 -18.545 14.842 122 HA ASP 15 HA ASP 15 20.537 -16.293 14.964 123 HB2 ASP 15 1HB ASP 15 20.956 -16.378 17.357 124 HB3 ASP 15 2HB ASP 15 20.609 -18.001 16.759 125 H ASN 16 H ASN 16 21.312 -14.312 16.249 126 HA ASN 16 HA ASN 16 24.158 -13.689 15.739 127 HB2 ASN 16 1HB ASN 16 22.751 -12.912 13.739 128 HB3 ASN 16 2HB ASN 16 21.971 -11.784 14.859 129 HD21 ASN 16 1HD2 ASN 16 24.494 -9.432 14.394 130 HD22 ASN 16 2HD2 ASN 16 22.789 -9.794 14.643 131 H VAL 17 H VAL 17 24.995 -12.475 17.317 132 HA VAL 17 HA VAL 17 23.123 -11.345 19.337 133 HB VAL 17 HB VAL 17 26.053 -12.173 19.618 134 HG11 VAL 17 1HG1 VAL 17 25.742 -11.666 22.032 135 HG12 VAL 17 2HG1 VAL 17 25.505 -10.221 21.036 136 HG13 VAL 17 3HG1 VAL 17 24.095 -11.083 21.697 137 HG21 VAL 17 1HG2 VAL 17 24.557 -14.136 19.510 138 HG22 VAL 17 2HG2 VAL 17 25.182 -13.928 21.156 139 HG23 VAL 17 3HG2 VAL 17 23.515 -13.433 20.766 140 H ALA 18 H ALA 18 23.045 -9.220 19.315 141 HA ALA 18 HA ALA 18 24.571 -7.731 17.368 142 HB1 ALA 18 1HB ALA 18 22.615 -6.865 19.531 143 HB2 ALA 18 2HB ALA 18 23.265 -5.808 18.261 144 HB3 ALA 18 3HB ALA 18 22.234 -7.192 17.822 145 H GLU 19 H GLU 19 26.492 -6.828 17.669 146 HA GLU 19 HA GLU 19 27.459 -6.452 20.497 147 HB2 GLU 19 1HB GLU 19 28.975 -6.902 17.896 148 HB3 GLU 19 2HB GLU 19 29.732 -6.572 19.464 149 HG2 GLU 19 1HG GLU 19 28.735 -8.613 20.388 150 HG3 GLU 19 2HG GLU 19 27.950 -8.956 18.840 151 H SER 20 H SER 20 26.630 -4.998 17.500 152 HA SER 20 HA SER 20 27.847 -2.382 18.267 153 HB2 SER 20 1HB SER 20 28.325 -2.930 15.993 154 HB3 SER 20 2HB SER 20 26.693 -3.537 15.715 155 HG SER 20 HG SER 20 27.168 -1.394 14.859 156 HA PRO 21 HA PRO 21 23.846 -1.144 19.681 157 HB2 PRO 21 1HB PRO 21 23.927 1.566 19.290 158 HB3 PRO 21 2HB PRO 21 24.907 0.747 20.553 159 HG2 PRO 21 1HG PRO 21 25.732 1.558 17.764 160 HG3 PRO 21 2HG PRO 21 26.547 1.897 19.325 161 HD2 PRO 21 1HD PRO 21 27.347 -0.114 17.784 162 HD3 PRO 21 2HD PRO 21 27.282 -0.286 19.572 163 H ASP 22 H ASP 22 24.921 -0.696 16.421 164 HA ASP 22 HA ASP 22 22.210 0.092 15.488 165 HB2 ASP 22 1HB ASP 22 24.979 0.023 14.286 166 HB3 ASP 22 2HB ASP 22 23.559 -0.001 13.228 167 H GLU 23 H GLU 23 23.687 -2.756 16.365 168 HA GLU 23 HA GLU 23 22.917 -4.198 13.896 169 HB2 GLU 23 1HB GLU 23 25.143 -4.476 14.958 170 HB3 GLU 23 2HB GLU 23 24.361 -5.181 16.371 171 HG2 GLU 23 1HG GLU 23 23.511 -7.009 14.967 172 HG3 GLU 23 2HG GLU 23 24.267 -6.270 13.550 173 H LEU 24 H LEU 24 21.510 -5.926 13.835 174 HA LEU 24 HA LEU 24 19.538 -5.986 16.055 175 HB2 LEU 24 1HB LEU 24 19.527 -7.144 13.265 176 HB3 LEU 24 2HB LEU 24 18.291 -7.506 14.459 177 HG LEU 24 HG LEU 24 18.909 -4.745 13.370 178 HD11 LEU 24 1HD1 LEU 24 17.938 -6.104 11.657 179 HD12 LEU 24 2HD1 LEU 24 16.674 -5.036 12.289 180 HD13 LEU 24 3HD1 LEU 24 16.718 -6.746 12.778 181 HD21 LEU 24 1HD2 LEU 24 16.747 -5.748 15.266 182 HD22 LEU 24 2HD2 LEU 24 16.745 -4.150 14.494 183 HD23 LEU 24 3HD2 LEU 24 18.045 -4.575 15.618 184 H SER 25 H SER 25 19.052 -7.709 17.234 185 HA SER 25 HA SER 25 20.858 -10.069 17.027 186 HB2 SER 25 1HB SER 25 20.206 -10.442 19.406 187 HB3 SER 25 2HB SER 25 21.047 -8.899 19.179 188 HG SER 25 HG SER 25 18.218 -9.144 19.150 189 H PHE 26 H PHE 26 19.932 -11.932 16.538 190 HA PHE 26 HA PHE 26 17.049 -12.388 16.979 191 HB2 PHE 26 1HB PHE 26 16.690 -13.049 14.594 192 HB3 PHE 26 2HB PHE 26 16.892 -11.324 14.864 193 HD1 PHE 26 HD1 PHE 26 18.896 -14.359 13.852 194 HD2 PHE 26 HD2 PHE 26 18.357 -10.098 13.595 195 HE1 PHE 26 HE1 PHE 26 20.636 -14.242 12.074 196 HE2 PHE 26 HE2 PHE 26 20.054 -9.984 11.835 197 HZ PHE 26 HZ PHE 26 21.180 -12.065 11.007 198 H ARG 27 H ARG 27 16.446 -14.637 16.047 199 HA ARG 27 HA ARG 27 18.645 -16.467 16.868 200 HB2 ARG 27 1HB ARG 27 16.313 -16.237 18.039 201 HB3 ARG 27 2HB ARG 27 15.705 -17.134 16.645 202 HG2 ARG 27 1HG ARG 27 16.078 -18.696 18.373 203 HG3 ARG 27 2HG ARG 27 17.378 -18.931 17.201 204 HD2 ARG 27 1HD ARG 27 18.918 -17.612 18.608 205 HD3 ARG 27 2HD ARG 27 17.613 -17.281 19.755 206 HE ARG 27 HE ARG 27 17.768 -20.057 19.600 207 HH11 ARG 27 1HH1 ARG 27 20.030 -17.491 20.503 208 HH12 ARG 27 2HH1 ARG 27 20.888 -18.517 21.616 209 HH21 ARG 27 1HH2 ARG 27 18.923 -21.303 21.049 210 HH22 ARG 27 2HH2 ARG 27 20.274 -20.627 21.917 211 H LYS 28 H LYS 28 18.747 -18.566 15.703 212 HA LYS 28 HA LYS 28 18.719 -18.339 12.847 213 HB2 LYS 28 1HB LYS 28 20.068 -20.037 14.008 214 HB3 LYS 28 2HB LYS 28 18.615 -20.751 14.717 215 HG2 LYS 28 1HG LYS 28 17.840 -21.485 12.540 216 HG3 LYS 28 2HG LYS 28 19.184 -20.671 11.745 217 HD2 LYS 28 1HD LYS 28 20.792 -22.151 12.855 218 HD3 LYS 28 2HD LYS 28 19.473 -22.922 13.768 219 HE2 LYS 28 1HE LYS 28 18.463 -23.698 11.644 220 HE3 LYS 28 2HE LYS 28 19.791 -22.934 10.740 221 HZ1 LYS 28 1HZ LYS 28 20.052 -25.357 11.185 222 HZ2 LYS 28 2HZ LYS 28 20.259 -25.010 12.785 223 HZ3 LYS 28 3HZ LYS 28 21.326 -24.430 11.658 224 H GLY 29 H GLY 29 17.128 -18.641 11.398 225 HA2 GLY 29 1HA GLY 29 15.118 -19.548 10.591 226 HA3 GLY 29 2HA GLY 29 14.635 -19.988 12.232 227 H ASP 30 H ASP 30 15.590 -16.923 12.734 228 HA ASP 30 HA ASP 30 12.888 -15.920 12.789 229 HB2 ASP 30 1HB ASP 30 15.111 -15.300 14.148 230 HB3 ASP 30 2HB ASP 30 15.254 -14.071 12.887 231 H ILE 31 H ILE 31 12.205 -13.886 11.746 232 HA ILE 31 HA ILE 31 13.282 -13.658 8.955 233 HB ILE 31 HB ILE 31 10.368 -13.428 9.843 234 HG12 ILE 31 1HG1 ILE 31 11.046 -15.765 9.774 235 HG13 ILE 31 2HG1 ILE 31 9.963 -15.394 8.434 236 HG21 ILE 31 1HG2 ILE 31 11.718 -13.006 7.135 237 HG22 ILE 31 2HG2 ILE 31 9.967 -13.278 7.311 238 HG23 ILE 31 3HG2 ILE 31 10.720 -11.853 8.054 239 HD11 ILE 31 1HD1 ILE 31 12.898 -16.020 8.372 240 HD12 ILE 31 2HD1 ILE 31 11.562 -16.740 7.444 241 HD13 ILE 31 3HD1 ILE 31 12.156 -15.126 7.022 242 H MET 32 H MET 32 13.930 -11.669 8.432 243 HA MET 32 HA MET 32 12.710 -9.363 9.908 244 HB2 MET 32 1HB MET 32 14.905 -8.223 9.697 245 HB3 MET 32 2HB MET 32 14.937 -9.628 10.750 246 HG2 MET 32 1HG MET 32 15.662 -10.730 8.338 247 HG3 MET 32 2HG MET 32 16.405 -9.132 8.280 248 HE1 MET 32 1HE MET 32 16.208 -12.639 9.939 249 HE2 MET 32 2HE MET 32 17.200 -12.477 11.404 250 HE3 MET 32 3HE MET 32 15.594 -11.711 11.328 251 H THR 33 H THR 33 12.655 -7.409 8.747 252 HA THR 33 HA THR 33 12.175 -7.861 5.845 253 HB THR 33 HB THR 33 11.672 -5.438 7.635 254 HG1 THR 33 HG1 THR 33 10.306 -7.225 8.050 255 HG21 THR 33 1HG2 THR 33 10.223 -4.713 5.708 256 HG22 THR 33 2HG2 THR 33 10.970 -6.002 4.729 257 HG23 THR 33 3HG2 THR 33 11.966 -4.668 5.375 258 H VAL 34 H VAL 34 13.872 -7.545 4.497 259 HA VAL 34 HA VAL 34 16.185 -5.961 5.360 260 HB VAL 34 HB VAL 34 15.616 -7.174 2.645 261 HG11 VAL 34 1HG1 VAL 34 18.100 -7.086 2.407 262 HG12 VAL 34 2HG1 VAL 34 17.374 -5.477 2.556 263 HG13 VAL 34 3HG1 VAL 34 18.196 -6.211 3.957 264 HG21 VAL 34 1HG2 VAL 34 15.562 -8.956 4.225 265 HG22 VAL 34 2HG2 VAL 34 17.157 -8.985 3.462 266 HG23 VAL 34 3HG2 VAL 34 16.982 -8.315 5.089 267 H LEU 35 H LEU 35 16.434 -3.894 5.042 268 HA LEU 35 HA LEU 35 14.444 -2.489 3.350 269 HB2 LEU 35 1HB LEU 35 16.466 -1.540 5.397 270 HB3 LEU 35 2HB LEU 35 15.317 -0.503 4.562 271 HG LEU 35 HG LEU 35 14.522 -2.812 6.361 272 HD11 LEU 35 1HD1 LEU 35 14.772 0.144 6.881 273 HD12 LEU 35 2HD1 LEU 35 15.643 -1.198 7.666 274 HD13 LEU 35 3HD1 LEU 35 13.903 -0.998 7.935 275 HD21 LEU 35 1HD2 LEU 35 12.783 -2.253 4.733 276 HD22 LEU 35 2HD2 LEU 35 12.916 -0.526 5.152 277 HD23 LEU 35 3HD2 LEU 35 12.306 -1.697 6.348 278 H GLU 36 H GLU 36 18.005 -2.631 3.952 279 HA GLU 36 HA GLU 36 18.352 -2.397 1.036 280 HB2 GLU 36 1HB GLU 36 19.732 -0.513 0.993 281 HB3 GLU 36 2HB GLU 36 18.356 -0.019 1.966 282 HG2 GLU 36 1HG GLU 36 19.651 -0.434 3.958 283 HG3 GLU 36 2HG GLU 36 21.049 -0.780 2.938 284 H ARG 37 H ARG 37 20.868 -2.558 0.596 285 HA ARG 37 HA ARG 37 22.053 -4.396 2.642 286 HB2 ARG 37 1HB ARG 37 22.216 -4.607 -0.381 287 HB3 ARG 37 2HB ARG 37 23.058 -5.642 0.770 288 HG2 ARG 37 1HG ARG 37 20.781 -6.352 1.637 289 HG3 ARG 37 2HG ARG 37 20.087 -5.502 0.251 290 HD2 ARG 37 1HD ARG 37 22.066 -7.785 0.164 291 HD3 ARG 37 2HD ARG 37 20.359 -7.843 -0.315 292 HE ARG 37 HE ARG 37 21.473 -5.815 -1.848 293 HH11 ARG 37 1HH1 ARG 37 22.223 -9.235 -1.445 294 HH12 ARG 37 2HH1 ARG 37 22.887 -9.371 -3.051 295 HH21 ARG 37 1HH2 ARG 37 22.329 -6.055 -3.872 296 HH22 ARG 37 2HH2 ARG 37 22.942 -7.593 -4.405 297 H ASP 38 H ASP 38 24.288 -4.206 2.831 298 HA ASP 38 HA ASP 38 26.275 -3.159 2.878 299 HB2 ASP 38 1HB ASP 38 25.684 -2.426 0.008 300 HB3 ASP 38 2HB ASP 38 27.276 -2.632 0.759 301 H THR 39 H THR 39 24.130 -1.910 3.900 302 HA THR 39 HA THR 39 23.674 0.800 3.155 303 HB THR 39 HB THR 39 22.113 -0.475 4.556 304 HG1 THR 39 HG1 THR 39 21.762 1.584 5.009 305 HG21 THR 39 1HG2 THR 39 24.299 -0.487 6.618 306 HG22 THR 39 2HG2 THR 39 23.542 -1.879 5.808 307 HG23 THR 39 3HG2 THR 39 22.597 -0.880 6.917 308 H GLN 40 H GLN 40 24.441 2.720 4.057 309 HA GLN 40 HA GLN 40 26.002 4.175 4.831 310 HB2 GLN 40 1HB GLN 40 26.766 2.164 6.934 311 HB3 GLN 40 2HB GLN 40 26.854 3.911 7.015 312 HG2 GLN 40 1HG GLN 40 24.317 3.860 6.778 313 HG3 GLN 40 2HG GLN 40 24.426 2.131 7.116 314 HE21 GLN 40 1HE2 GLN 40 24.492 2.617 10.546 315 HE22 GLN 40 2HE2 GLN 40 24.112 1.609 9.170 316 H GLY 41 H GLY 41 26.867 1.751 3.037 317 HA2 GLY 41 1HA GLY 41 28.839 1.420 1.834 318 HA3 GLY 41 2HA GLY 41 29.688 2.546 2.910 319 H LEU 42 H LEU 42 27.819 0.191 4.581 320 HA LEU 42 HA LEU 42 30.296 -1.124 5.464 321 HB2 LEU 42 1HB LEU 42 27.418 -1.441 6.333 322 HB3 LEU 42 2HB LEU 42 28.819 -2.130 7.133 323 HG LEU 42 HG LEU 42 28.358 0.845 6.856 324 HD11 LEU 42 1HD1 LEU 42 27.564 0.744 9.180 325 HD12 LEU 42 2HD1 LEU 42 27.663 -1.036 9.123 326 HD13 LEU 42 3HD1 LEU 42 26.516 -0.166 8.071 327 HD21 LEU 42 1HD2 LEU 42 29.915 0.935 8.774 328 HD22 LEU 42 2HD2 LEU 42 30.663 0.259 7.308 329 HD23 LEU 42 3HD2 LEU 42 30.156 -0.819 8.631 330 H ASP 43 H ASP 43 30.836 -2.302 3.593 331 HA ASP 43 HA ASP 43 29.060 -3.917 2.095 332 HB2 ASP 43 1HB ASP 43 32.027 -4.090 2.657 333 HB3 ASP 43 2HB ASP 43 31.205 -5.329 1.694 334 H GLY 44 H GLY 44 28.042 -5.771 2.416 335 HA2 GLY 44 1HA GLY 44 27.796 -7.957 3.253 336 HA3 GLY 44 2HA GLY 44 29.124 -7.688 4.390 337 H TRP 45 H TRP 45 27.506 -4.996 5.044 338 HA TRP 45 HA TRP 45 25.831 -6.294 7.128 339 HB2 TRP 45 1HB TRP 45 26.990 -3.553 6.651 340 HB3 TRP 45 2HB TRP 45 25.743 -3.793 7.836 341 HD1 TRP 45 HD1 TRP 45 29.427 -3.902 7.480 342 HE1 TRP 45 HE1 TRP 45 30.576 -4.858 9.533 343 HE3 TRP 45 HE3 TRP 45 25.290 -5.912 9.653 344 HZ2 TRP 45 HZ2 TRP 45 29.766 -6.359 11.853 345 HZ3 TRP 45 HZ3 TRP 45 25.519 -7.095 11.831 346 HH2 TRP 45 HH2 TRP 45 27.736 -7.324 12.910 347 H TRP 46 H TRP 46 23.658 -6.353 6.869 348 HA TRP 46 HA TRP 46 22.499 -4.656 4.683 349 HB2 TRP 46 1HB TRP 46 21.647 -7.368 5.756 350 HB3 TRP 46 2HB TRP 46 20.770 -6.442 4.528 351 HD1 TRP 46 HD1 TRP 46 24.168 -5.829 3.503 352 HE1 TRP 46 HE1 TRP 46 25.047 -7.403 1.737 353 HE3 TRP 46 HE3 TRP 46 20.645 -9.500 4.067 354 HZ2 TRP 46 HZ2 TRP 46 24.332 -9.979 0.699 355 HZ3 TRP 46 HZ3 TRP 46 20.834 -11.552 2.667 356 HH2 TRP 46 HH2 TRP 46 22.627 -11.770 0.974 357 H LEU 47 H LEU 47 20.972 -3.208 5.211 358 HA LEU 47 HA LEU 47 20.239 -2.867 8.013 359 HB2 LEU 47 1HB LEU 47 20.536 -0.954 6.455 360 HB3 LEU 47 2HB LEU 47 19.225 -1.580 5.469 361 HG LEU 47 HG LEU 47 17.637 -1.150 7.263 362 HD11 LEU 47 1HD1 LEU 47 20.024 -0.042 8.758 363 HD12 LEU 47 2HD1 LEU 47 18.989 -1.409 9.234 364 HD13 LEU 47 3HD1 LEU 47 18.328 0.231 9.216 365 HD21 LEU 47 1HD2 LEU 47 18.081 0.579 5.575 366 HD22 LEU 47 2HD2 LEU 47 19.365 1.254 6.601 367 HD23 LEU 47 3HD2 LEU 47 17.668 1.303 7.143 368 H CYS 48 H CYS 48 18.629 -3.906 8.991 369 HA CYS 48 HA CYS 48 16.263 -4.638 7.343 370 HB2 CYS 48 1HB CYS 48 17.492 -6.490 9.417 371 HB3 CYS 48 2HB CYS 48 16.158 -6.831 8.316 372 HG CYS 48 HG CYS 48 19.335 -6.264 7.595 373 H SER 49 H SER 49 14.467 -5.387 8.800 374 HA SER 49 HA SER 49 14.504 -3.854 11.367 375 HB2 SER 49 1HB SER 49 12.748 -2.622 10.734 376 HB3 SER 49 2HB SER 49 13.116 -3.113 9.090 377 HG SER 49 HG SER 49 11.735 -5.056 9.751 378 H LEU 50 H LEU 50 13.950 -5.013 13.071 379 HA LEU 50 HA LEU 50 12.244 -7.449 12.813 380 HB2 LEU 50 1HB LEU 50 14.674 -8.126 12.565 381 HB3 LEU 50 2HB LEU 50 14.979 -7.411 14.147 382 HG LEU 50 HG LEU 50 12.812 -9.193 14.505 383 HD11 LEU 50 1HD1 LEU 50 13.599 -11.269 13.677 384 HD12 LEU 50 2HD1 LEU 50 15.037 -10.489 12.973 385 HD13 LEU 50 3HD1 LEU 50 13.411 -10.128 12.334 386 HD21 LEU 50 1HD2 LEU 50 14.472 -10.487 15.830 387 HD22 LEU 50 2HD2 LEU 50 14.498 -8.747 16.193 388 HD23 LEU 50 3HD2 LEU 50 15.760 -9.456 15.164 389 H HIS 51 H HIS 51 11.028 -7.687 14.702 390 HA HIS 51 HA HIS 51 9.998 -7.055 16.661 391 HB2 HIS 51 1HB HIS 51 12.880 -6.482 17.458 392 HB3 HIS 51 2HB HIS 51 11.522 -6.392 18.577 393 HD1 HIS 51 HD1 HIS 51 13.061 -8.315 19.806 394 HD2 HIS 51 HD2 HIS 51 11.017 -9.394 16.340 395 HE1 HIS 51 HE1 HIS 51 12.934 -10.840 19.781 396 H GLY 52 H GLY 52 10.369 -4.982 14.509 397 HA2 GLY 52 1HA GLY 52 9.685 -2.784 14.288 398 HA3 GLY 52 2HA GLY 52 9.364 -2.743 16.026 399 H ARG 53 H ARG 53 12.566 -3.750 15.260 400 HA ARG 53 HA ARG 53 13.591 -1.003 15.842 401 HB2 ARG 53 1HB ARG 53 13.860 -3.003 17.545 402 HB3 ARG 53 2HB ARG 53 15.052 -3.602 16.408 403 HG2 ARG 53 1HG ARG 53 15.357 -0.748 17.241 404 HG3 ARG 53 2HG ARG 53 15.619 -1.967 18.504 405 HD2 ARG 53 1HD ARG 53 17.223 -3.135 17.015 406 HD3 ARG 53 2HD ARG 53 17.006 -1.872 15.808 407 HE ARG 53 HE ARG 53 18.290 -0.395 17.083 408 HH11 ARG 53 1HH1 ARG 53 17.884 -3.427 18.852 409 HH12 ARG 53 2HH1 ARG 53 19.157 -3.039 19.977 410 HH21 ARG 53 1HH2 ARG 53 19.910 0.001 18.551 411 HH22 ARG 53 2HH2 ARG 53 20.256 -1.140 19.816 412 H GLN 54 H GLN 54 15.228 -0.330 14.459 413 HA GLN 54 HA GLN 54 15.637 -2.033 12.044 414 HB2 GLN 54 1HB GLN 54 15.080 0.767 12.491 415 HB3 GLN 54 2HB GLN 54 16.629 0.585 11.654 416 HG2 GLN 54 1HG GLN 54 15.532 -0.774 9.952 417 HG3 GLN 54 2HG GLN 54 13.992 -0.622 10.814 418 HE21 GLN 54 1HE2 GLN 54 15.493 2.818 9.109 419 HE22 GLN 54 2HE2 GLN 54 16.573 1.719 9.930 420 H GLY 55 H GLY 55 17.724 -2.523 11.357 421 HA2 GLY 55 1HA GLY 55 20.035 -1.191 12.353 422 HA3 GLY 55 2HA GLY 55 19.745 -2.626 13.337 423 H ILE 56 H ILE 56 22.072 -2.516 12.063 424 HA ILE 56 HA ILE 56 21.903 -3.759 9.415 425 HB ILE 56 HB ILE 56 24.365 -3.760 9.451 426 HG12 ILE 56 1HG1 ILE 56 24.059 -2.824 12.349 427 HG13 ILE 56 2HG1 ILE 56 24.660 -4.398 11.839 428 HG21 ILE 56 1HG2 ILE 56 22.990 -1.630 9.032 429 HG22 ILE 56 2HG2 ILE 56 23.409 -1.133 10.691 430 HG23 ILE 56 3HG2 ILE 56 24.688 -1.380 9.478 431 HD11 ILE 56 1HD1 ILE 56 26.573 -3.140 12.404 432 HD12 ILE 56 2HD1 ILE 56 26.534 -3.104 10.626 433 HD13 ILE 56 3HD1 ILE 56 25.988 -1.691 11.563 434 H VAL 57 H VAL 57 22.805 -5.782 8.902 435 HA VAL 57 HA VAL 57 22.919 -7.804 11.097 436 HB VAL 57 HB VAL 57 21.276 -7.978 8.562 437 HG11 VAL 57 1HG1 VAL 57 22.151 -10.106 8.891 438 HG12 VAL 57 2HG1 VAL 57 21.790 -10.037 10.625 439 HG13 VAL 57 3HG1 VAL 57 20.469 -10.137 9.449 440 HG21 VAL 57 1HG2 VAL 57 20.099 -6.627 10.178 441 HG22 VAL 57 2HG2 VAL 57 19.321 -8.220 10.123 442 HG23 VAL 57 3HG2 VAL 57 20.436 -7.816 11.453 443 HA PRO 58 HA PRO 58 26.236 -8.942 8.308 444 HB2 PRO 58 1HB PRO 58 26.890 -11.429 9.255 445 HB3 PRO 58 2HB PRO 58 27.284 -9.923 10.146 446 HG2 PRO 58 1HG PRO 58 24.976 -11.804 10.559 447 HG3 PRO 58 2HG PRO 58 26.098 -11.113 11.767 448 HD2 PRO 58 1HD PRO 58 23.627 -10.053 11.261 449 HD3 PRO 58 2HD PRO 58 25.017 -9.044 11.745 450 H GLY 59 H GLY 59 25.608 -9.344 6.238 451 HA2 GLY 59 1HA GLY 59 23.445 -11.025 5.486 452 HA3 GLY 59 2HA GLY 59 24.739 -10.451 4.421 453 H ASN 60 H ASN 60 26.722 -11.783 6.293 454 HA ASN 60 HA ASN 60 27.006 -14.257 4.907 455 HB2 ASN 60 1HB ASN 60 28.716 -12.763 6.221 456 HB3 ASN 60 2HB ASN 60 28.227 -13.728 7.622 457 HD21 ASN 60 1HD2 ASN 60 31.034 -15.614 6.514 458 HD22 ASN 60 2HD2 ASN 60 30.536 -14.309 7.576 459 H ARG 61 H ARG 61 25.004 -13.420 7.619 460 HA ARG 61 HA ARG 61 24.596 -16.334 8.211 461 HB2 ARG 61 1HB ARG 61 24.106 -13.902 9.970 462 HB3 ARG 61 2HB ARG 61 23.712 -15.570 10.399 463 HG2 ARG 61 1HG ARG 61 26.128 -16.147 10.193 464 HG3 ARG 61 2HG ARG 61 26.486 -14.426 9.945 465 HD2 ARG 61 1HD ARG 61 25.508 -13.892 12.125 466 HD3 ARG 61 2HD ARG 61 25.059 -15.589 12.348 467 HE ARG 61 HE ARG 61 27.887 -15.332 11.840 468 HH11 ARG 61 1HH1 ARG 61 25.503 -15.009 14.453 469 HH12 ARG 61 2HH1 ARG 61 26.722 -15.241 15.681 470 HH21 ARG 61 1HH2 ARG 61 29.328 -15.655 13.438 471 HH22 ARG 61 2HH2 ARG 61 28.851 -15.602 15.122 472 H LEU 62 H LEU 62 23.354 -14.149 6.237 473 HA LEU 62 HA LEU 62 20.533 -14.743 7.010 474 HB2 LEU 62 1HB LEU 62 21.598 -12.325 7.251 475 HB3 LEU 62 2HB LEU 62 21.262 -12.257 5.524 476 HG LEU 62 HG LEU 62 18.898 -12.773 6.014 477 HD11 LEU 62 1HD1 LEU 62 17.998 -12.438 8.200 478 HD12 LEU 62 2HD1 LEU 62 19.643 -12.293 8.873 479 HD13 LEU 62 3HD1 LEU 62 19.087 -13.818 8.152 480 HD21 LEU 62 1HD2 LEU 62 19.550 -10.524 5.567 481 HD22 LEU 62 2HD2 LEU 62 20.147 -10.306 7.225 482 HD23 LEU 62 3HD2 LEU 62 18.407 -10.482 6.923 483 H LYS 63 H LYS 63 19.077 -15.243 5.487 484 HA LYS 63 HA LYS 63 20.105 -15.365 2.674 485 HB2 LYS 63 1HB LYS 63 19.881 -17.629 3.556 486 HB3 LYS 63 2HB LYS 63 18.223 -17.291 4.074 487 HG2 LYS 63 1HG LYS 63 17.453 -17.129 1.804 488 HG3 LYS 63 2HG LYS 63 19.107 -17.098 1.176 489 HD2 LYS 63 1HD LYS 63 18.195 -19.253 0.741 490 HD3 LYS 63 2HD LYS 63 19.420 -19.428 2.014 491 HE2 LYS 63 1HE LYS 63 17.610 -19.478 3.717 492 HE3 LYS 63 2HE LYS 63 16.403 -19.323 2.416 493 HZ1 LYS 63 1HZ LYS 63 18.353 -21.547 2.704 494 HZ2 LYS 63 2HZ LYS 63 17.248 -21.403 1.487 495 HZ3 LYS 63 3HZ LYS 63 16.741 -21.644 3.036 496 H ILE 64 H ILE 64 19.134 -14.078 1.376 497 HA ILE 64 HA ILE 64 16.704 -12.697 1.996 498 HB ILE 64 HB ILE 64 18.106 -13.158 -0.680 499 HG12 ILE 64 1HG1 ILE 64 19.604 -12.114 0.926 500 HG13 ILE 64 2HG1 ILE 64 19.143 -10.970 -0.324 501 HG21 ILE 64 1HG2 ILE 64 15.959 -11.223 0.181 502 HG22 ILE 64 2HG2 ILE 64 16.979 -10.943 -1.249 503 HG23 ILE 64 3HG2 ILE 64 15.921 -12.369 -1.173 504 HD11 ILE 64 1HD1 ILE 64 18.252 -11.029 2.583 505 HD12 ILE 64 2HD1 ILE 64 19.138 -9.756 1.722 506 HD13 ILE 64 3HD1 ILE 64 17.429 -10.028 1.356 507 H LEU 65 H LEU 65 14.654 -13.350 1.797 508 HA LEU 65 HA LEU 65 14.116 -15.866 0.304 509 HB2 LEU 65 1HB LEU 65 12.322 -14.239 2.139 510 HB3 LEU 65 2HB LEU 65 11.960 -15.820 1.452 511 HG LEU 65 HG LEU 65 14.114 -15.196 3.501 512 HD11 LEU 65 1HD1 LEU 65 11.828 -15.028 4.368 513 HD12 LEU 65 2HD1 LEU 65 12.656 -16.444 5.022 514 HD13 LEU 65 3HD1 LEU 65 11.454 -16.649 3.731 515 HD21 LEU 65 1HD2 LEU 65 14.887 -17.047 2.150 516 HD22 LEU 65 2HD2 LEU 65 13.297 -17.847 2.246 517 HD23 LEU 65 3HD2 LEU 65 14.312 -17.687 3.700 518 H VAL 66 H VAL 66 14.144 -15.196 -1.787 519 HA VAL 66 HA VAL 66 13.094 -12.684 -2.677 520 HB VAL 66 HB VAL 66 13.619 -15.272 -4.240 521 HG11 VAL 66 1HG1 VAL 66 13.297 -12.396 -5.205 522 HG12 VAL 66 2HG1 VAL 66 13.856 -13.754 -6.210 523 HG13 VAL 66 3HG1 VAL 66 12.212 -13.763 -5.549 524 HG21 VAL 66 1HG2 VAL 66 15.422 -12.856 -3.719 525 HG22 VAL 66 2HG2 VAL 66 15.661 -14.507 -3.095 526 HG23 VAL 66 3HG2 VAL 66 15.798 -14.193 -4.834 527 H GLY 67 H GLY 67 11.065 -12.119 -3.303 528 HA2 GLY 67 1HA GLY 67 8.905 -14.042 -2.758 529 HA3 GLY 67 2HA GLY 67 8.728 -12.308 -3.102 530 H MET 68 H MET 68 7.296 -14.508 -4.303 531 HA MET 68 HA MET 68 6.433 -15.084 -6.328 532 HB2 MET 68 1HB MET 68 6.919 -12.608 -6.827 533 HB3 MET 68 2HB MET 68 8.333 -13.180 -7.714 534 HG2 MET 68 1HG MET 68 6.907 -14.442 -9.239 535 HG3 MET 68 2HG MET 68 5.467 -13.968 -8.312 536 HE1 MET 68 1HE MET 68 5.858 -13.461 -11.508 537 HE2 MET 68 2HE MET 68 4.384 -13.023 -10.610 538 HE3 MET 68 3HE MET 68 5.194 -11.815 -11.635 539 H TYR 69 H TYR 69 6.936 -16.302 -8.303 540 HA TYR 69 HA TYR 69 7.917 -18.053 -9.343 541 HB2 TYR 69 1HB TYR 69 10.637 -16.987 -8.594 542 HB3 TYR 69 2HB TYR 69 10.149 -17.868 -10.045 543 HD1 TYR 69 HD1 TYR 69 8.575 -16.659 -11.728 544 HD2 TYR 69 HD2 TYR 69 10.660 -14.612 -8.561 545 HE1 TYR 69 HE1 TYR 69 8.277 -14.486 -12.927 546 HE2 TYR 69 HE2 TYR 69 10.347 -12.449 -9.767 547 HH TYR 69 HH TYR 69 8.662 -12.225 -12.901 548 H ASP 70 H ASP 70 10.162 -19.515 -8.999 549 HA ASP 70 HA ASP 70 11.011 -21.319 -7.957 550 HB2 ASP 70 1HB ASP 70 11.659 -19.271 -6.422 551 HB3 ASP 70 2HB ASP 70 10.607 -20.080 -5.252 552 H LYS 71 H LYS 71 10.787 -22.892 -5.990 553 HA LYS 71 HA LYS 71 7.903 -23.711 -5.925 554 HB2 LYS 71 1HB LYS 71 9.583 -25.307 -6.872 555 HB3 LYS 71 2HB LYS 71 10.422 -25.305 -5.315 556 HG2 LYS 71 1HG LYS 71 8.401 -26.226 -4.230 557 HG3 LYS 71 2HG LYS 71 7.570 -26.239 -5.799 558 HD2 LYS 71 1HD LYS 71 9.307 -27.765 -6.683 559 HD3 LYS 71 2HD LYS 71 10.107 -27.757 -5.095 560 HE2 LYS 71 1HE LYS 71 8.049 -28.691 -4.066 561 HE3 LYS 71 2HE LYS 71 7.275 -28.726 -5.665 562 HZ1 LYS 71 1HZ LYS 71 9.005 -30.256 -6.401 563 HZ2 LYS 71 2HZ LYS 71 8.218 -30.877 -5.089 564 HZ3 LYS 71 3HZ LYS 71 9.724 -30.226 -4.914 565 H LYS 72 H LYS 72 6.900 -23.044 -4.139 566 HA LYS 72 HA LYS 72 8.224 -22.149 -1.783 567 HB2 LYS 72 1HB LYS 72 5.399 -23.212 -2.143 568 HB3 LYS 72 2HB LYS 72 5.977 -22.373 -0.702 569 HG2 LYS 72 1HG LYS 72 6.417 -20.347 -2.049 570 HG3 LYS 72 2HG LYS 72 5.838 -21.185 -3.498 571 HD2 LYS 72 1HD LYS 72 3.761 -20.511 -3.023 572 HD3 LYS 72 2HD LYS 72 3.793 -21.518 -1.567 573 HE2 LYS 72 1HE LYS 72 4.811 -18.646 -1.707 574 HE3 LYS 72 2HE LYS 72 3.194 -19.116 -1.141 575 HZ1 LYS 72 1HZ LYS 72 4.705 -18.822 0.709 576 HZ2 LYS 72 2HZ LYS 72 5.748 -19.946 0.106 577 HZ3 LYS 72 3HZ LYS 72 4.250 -20.407 0.621 578 HA PRO 73 HA PRO 73 9.321 -26.024 -0.099 579 HB2 PRO 73 1HB PRO 73 9.497 -25.537 2.590 580 HB3 PRO 73 2HB PRO 73 10.663 -24.857 1.407 581 HG2 PRO 73 1HG PRO 73 8.224 -23.569 2.605 582 HG3 PRO 73 2HG PRO 73 9.899 -22.936 2.505 583 HD2 PRO 73 1HD PRO 73 8.001 -22.228 0.717 584 HD3 PRO 73 2HD PRO 73 9.698 -22.487 0.197 585 H ALA 74 H ALA 74 8.465 -27.878 0.886 586 HA ALA 74 HA ALA 74 5.932 -27.716 2.355 587 HB1 ALA 74 1HB ALA 74 5.174 -27.753 -0.023 588 HB2 ALA 74 2HB ALA 74 6.176 -29.199 -0.319 589 HB3 ALA 74 3HB ALA 74 4.790 -29.289 0.793 590 H GLY 75 H GLY 75 5.783 -29.455 3.742 591 HA2 GLY 75 1HA GLY 75 6.373 -31.500 4.713 592 HA3 GLY 75 2HA GLY 75 7.522 -31.791 3.392 593 H SER 76 H SER 76 8.103 -32.246 6.143 594 HA SER 76 HA SER 76 9.912 -29.987 6.845 595 HB2 SER 76 1HB SER 76 9.074 -32.354 8.550 596 HB3 SER 76 2HB SER 76 9.857 -30.851 9.090 597 HG SER 76 HG SER 76 7.663 -30.672 9.483 598 H GLY 77 H GLY 77 10.138 -32.776 5.131 599 HA2 GLY 77 1HA GLY 77 12.538 -33.840 6.466 600 HA3 GLY 77 2HA GLY 77 11.685 -34.553 5.094 601 H GLY 78 H GLY 78 14.213 -34.730 4.737 602 HA2 GLY 78 1HA GLY 78 15.775 -34.274 3.098 603 HA3 GLY 78 2HA GLY 78 14.711 -33.001 2.479 604 H SER 79 H SER 79 14.960 -30.883 3.177 605 HA SER 79 HA SER 79 17.640 -30.220 4.109 606 HB2 SER 79 1HB SER 79 16.896 -27.892 3.851 607 HB3 SER 79 2HB SER 79 16.499 -28.852 2.414 608 HG SER 79 HG SER 79 14.392 -28.848 2.959 609 H GLY 80 H GLY 80 14.607 -30.838 5.625 610 HA2 GLY 80 1HA GLY 80 15.289 -29.299 8.047 611 HA3 GLY 80 2HA GLY 80 13.827 -30.263 7.769 612 H SER 81 H SER 81 17.186 -31.347 7.281 613 HA SER 81 HA SER 81 16.734 -33.758 8.811 614 HB2 SER 81 1HB SER 81 19.181 -34.070 8.449 615 HB3 SER 81 2HB SER 81 18.311 -33.702 6.944 616 HG SER 81 HG SER 81 19.730 -31.818 8.538 617 H GLY 82 H GLY 82 17.791 -34.348 10.801 618 HA2 GLY 82 1HA GLY 82 17.854 -32.214 12.741 619 HA3 GLY 82 2HA GLY 82 18.328 -33.906 13.018 620 H LEU 83 H LEU 83 19.689 -31.477 13.929 621 HA LEU 83 HA LEU 83 22.336 -31.938 12.618 622 HB2 LEU 83 1HB LEU 83 21.179 -29.307 13.619 623 HB3 LEU 83 2HB LEU 83 22.839 -29.542 13.076 624 HG LEU 83 HG LEU 83 20.396 -29.858 11.296 625 HD11 LEU 83 1HD1 LEU 83 20.663 -27.557 12.132 626 HD12 LEU 83 2HD1 LEU 83 21.023 -27.668 10.392 627 HD13 LEU 83 3HD1 LEU 83 22.355 -27.543 11.561 628 HD21 LEU 83 1HD2 LEU 83 22.051 -29.694 9.454 629 HD22 LEU 83 2HD2 LEU 83 22.335 -31.120 10.470 630 HD23 LEU 83 3HD2 LEU 83 23.370 -29.682 10.650 631 H THR 84 H THR 84 24.076 -31.817 14.099 632 HA THR 84 HA THR 84 23.232 -32.047 16.962 633 HB THR 84 HB THR 84 25.774 -33.133 15.657 634 HG1 THR 84 HG1 THR 84 23.564 -34.014 15.040 635 HG21 THR 84 1HG2 THR 84 25.943 -32.834 18.100 636 HG22 THR 84 2HG2 THR 84 25.847 -34.557 17.683 637 HG23 THR 84 3HG2 THR 84 24.413 -33.723 18.325 638 H ASP 85 H ASP 85 25.328 -30.461 14.626 639 HA ASP 85 HA ASP 85 26.088 -28.455 16.671 640 HB2 ASP 85 1HB ASP 85 27.980 -30.110 16.374 641 HB3 ASP 85 2HB ASP 85 27.999 -29.703 14.651 642 H GLU 86 H GLU 86 26.553 -26.413 15.655 643 HA GLU 86 HA GLU 86 26.240 -26.076 12.772 644 HB2 GLU 86 1HB GLU 86 23.838 -26.181 13.493 645 HB3 GLU 86 2HB GLU 86 24.150 -24.865 14.626 646 HG2 GLU 86 1HG GLU 86 23.312 -23.649 12.898 647 HG3 GLU 86 2HG GLU 86 25.014 -23.617 12.441 648 H LEU 87 H LEU 87 28.226 -25.047 12.828 649 HA LEU 87 HA LEU 87 28.645 -22.891 14.812 650 HB2 LEU 87 1HB LEU 87 30.509 -24.117 12.754 651 HB3 LEU 87 2HB LEU 87 30.954 -22.846 13.895 652 HG LEU 87 HG LEU 87 30.044 -25.641 14.670 653 HD11 LEU 87 1HD1 LEU 87 32.386 -26.038 15.232 654 HD12 LEU 87 2HD1 LEU 87 32.823 -24.401 14.678 655 HD13 LEU 87 3HD1 LEU 87 32.224 -25.618 13.518 656 HD21 LEU 87 1HD2 LEU 87 30.927 -25.027 16.919 657 HD22 LEU 87 2HD2 LEU 87 29.526 -24.055 16.452 658 HD23 LEU 87 3HD2 LEU 87 31.161 -23.355 16.351 659 H ALA 88 H ALA 88 28.132 -20.901 14.362 660 HA ALA 88 HA ALA 88 27.331 -20.132 11.710 661 HB1 ALA 88 1HB ALA 88 27.773 -18.402 14.169 662 HB2 ALA 88 2HB ALA 88 26.793 -18.003 12.734 663 HB3 ALA 88 3HB ALA 88 26.280 -19.314 13.817 664 HA PRO 89 HA PRO 89 31.257 -18.582 10.381 665 HB2 PRO 89 1HB PRO 89 30.547 -17.073 8.243 666 HB3 PRO 89 2HB PRO 89 30.375 -18.852 8.239 667 HG2 PRO 89 1HG PRO 89 28.312 -16.747 8.841 668 HG3 PRO 89 2HG PRO 89 28.216 -18.116 7.690 669 HD2 PRO 89 1HD PRO 89 27.174 -18.258 10.184 670 HD3 PRO 89 2HD PRO 89 27.933 -19.686 9.401 671 HA PRO 90 HA PRO 90 31.747 -14.687 12.269 672 HB2 PRO 90 1HB PRO 90 33.761 -13.424 10.937 673 HB3 PRO 90 2HB PRO 90 34.039 -14.910 11.902 674 HG2 PRO 90 1HG PRO 90 33.582 -14.646 8.942 675 HG3 PRO 90 2HG PRO 90 34.896 -15.510 9.807 676 HD2 PRO 90 1HD PRO 90 32.718 -16.809 8.891 677 HD3 PRO 90 2HD PRO 90 33.462 -17.256 10.462 678 H LYS 91 H LYS 91 31.399 -12.414 12.210 679 HA LYS 91 HA LYS 91 29.691 -11.526 9.958 680 HB2 LYS 91 1HB LYS 91 29.211 -9.595 11.479 681 HB3 LYS 91 2HB LYS 91 28.780 -11.163 12.170 682 HG2 LYS 91 1HG LYS 91 30.784 -11.136 13.583 683 HG3 LYS 91 2HG LYS 91 31.324 -9.625 12.833 684 HD2 LYS 91 1HD LYS 91 30.360 -9.100 14.971 685 HD3 LYS 91 2HD LYS 91 29.275 -8.491 13.716 686 HE2 LYS 91 1HE LYS 91 27.753 -10.389 14.047 687 HE3 LYS 91 2HE LYS 91 28.888 -11.119 15.210 688 HZ1 LYS 91 1HZ LYS 91 27.523 -8.514 15.557 689 HZ2 LYS 91 2HZ LYS 91 28.585 -9.205 16.634 690 HZ3 LYS 91 3HZ LYS 91 27.124 -9.912 16.333 691 HA PRO 92 HA PRO 92 33.045 -9.124 8.364 692 HB2 PRO 92 1HB PRO 92 31.782 -6.960 7.227 693 HB3 PRO 92 2HB PRO 92 31.715 -8.604 6.527 694 HG2 PRO 92 1HG PRO 92 29.726 -7.206 8.238 695 HG3 PRO 92 2HG PRO 92 29.476 -8.127 6.738 696 HD2 PRO 92 1HD PRO 92 29.039 -9.147 9.217 697 HD3 PRO 92 2HD PRO 92 29.612 -10.161 7.849 698 HA PRO 93 HA PRO 93 34.015 -6.193 11.495 699 HB2 PRO 93 1HB PRO 93 35.865 -4.551 10.368 700 HB3 PRO 93 2HB PRO 93 36.186 -6.302 10.593 701 HG2 PRO 93 1HG PRO 93 35.177 -4.865 8.145 702 HG3 PRO 93 2HG PRO 93 36.577 -5.975 8.296 703 HD2 PRO 93 1HD PRO 93 34.176 -6.845 7.442 704 HD3 PRO 93 2HD PRO 93 35.210 -7.864 8.501 705 H LEU 94 H LEU 94 34.286 -3.738 11.989 706 HA LEU 94 HA LEU 94 32.431 -2.100 10.359 707 HB2 LEU 94 1HB LEU 94 32.378 -2.615 13.340 708 HB3 LEU 94 2HB LEU 94 31.764 -1.110 12.680 709 HG LEU 94 HG LEU 94 30.686 -3.877 12.042 710 HD11 LEU 94 1HD1 LEU 94 28.760 -3.126 13.302 711 HD12 LEU 94 2HD1 LEU 94 29.521 -1.539 13.579 712 HD13 LEU 94 3HD1 LEU 94 30.217 -3.010 14.314 713 HD21 LEU 94 1HD2 LEU 94 30.383 -2.401 10.122 714 HD22 LEU 94 2HD2 LEU 94 29.744 -1.112 11.171 715 HD23 LEU 94 3HD2 LEU 94 28.843 -2.624 10.944 716 HA PRO 95 HA PRO 95 35.649 0.916 10.859 717 HB2 PRO 95 1HB PRO 95 34.330 3.211 10.298 718 HB3 PRO 95 2HB PRO 95 34.491 1.916 9.068 719 HG2 PRO 95 1HG PRO 95 32.198 2.482 10.938 720 HG3 PRO 95 2HG PRO 95 32.168 2.274 9.154 721 HD2 PRO 95 1HD PRO 95 31.607 0.227 10.873 722 HD3 PRO 95 2HD PRO 95 32.428 -0.045 9.307 723 H GLU 96 H GLU 96 36.198 2.996 11.952 724 HA GLU 96 HA GLU 96 35.228 2.971 14.736 725 HB2 GLU 96 1HB GLU 96 37.541 4.436 13.414 726 HB3 GLU 96 2HB GLU 96 37.172 4.444 15.147 727 HG2 GLU 96 1HG GLU 96 37.437 1.949 15.162 728 HG3 GLU 96 2HG GLU 96 37.979 2.039 13.476 729 H GLY 97 H GLY 97 33.302 3.942 12.931 730 HA2 GLY 97 1HA GLY 97 31.737 5.663 13.373 731 HA3 GLY 97 2HA GLY 97 33.022 6.669 14.038 732 H GLU 98 H GLU 98 31.611 8.187 12.668 733 HA GLU 98 HA GLU 98 31.881 8.079 9.798 734 HB2 GLU 98 1HB GLU 98 31.179 10.381 11.657 735 HB3 GLU 98 2HB GLU 98 31.053 10.424 9.893 736 HG2 GLU 98 1HG GLU 98 29.421 8.527 10.012 737 HG3 GLU 98 2HG GLU 98 29.460 8.661 11.783 738 H VAL 99 H VAL 99 33.557 8.617 8.598 739 HA VAL 99 HA VAL 99 35.552 10.579 9.628 740 HB VAL 99 HB VAL 99 37.342 9.243 8.507 741 HG11 VAL 99 1HG1 VAL 99 36.883 9.007 10.985 742 HG12 VAL 99 2HG1 VAL 99 35.825 7.632 10.649 743 HG13 VAL 99 3HG1 VAL 99 37.555 7.528 10.278 744 HG21 VAL 99 1HG2 VAL 99 35.223 7.014 8.260 745 HG22 VAL 99 2HG2 VAL 99 35.858 7.952 6.898 746 HG23 VAL 99 3HG2 VAL 99 36.930 6.900 7.822 747 HXT VAL 99 H02 VAL 99 34.211 11.073 6.149 Start of MODEL 9 1 H2 GLY 1 2H0 GLY 1 6.071 4.580 -6.908 2 H GLY 1 1H0 GLY 1 4.505 4.418 -7.329 3 HA2 GLY 1 1HA GLY 1 5.526 6.469 -5.436 4 HA3 GLY 1 2HA GLY 1 3.822 6.225 -5.873 5 H SER 2 H SER 2 4.689 6.337 -3.335 6 HA SER 2 HA SER 2 4.522 5.371 -1.283 7 HB2 SER 2 1HB SER 2 2.964 3.219 -2.752 8 HB3 SER 2 2HB SER 2 2.910 3.561 -1.009 9 HG SER 2 HG SER 2 1.212 4.556 -2.289 10 H MET 3 H MET 3 6.742 4.279 -3.217 11 HA MET 3 HA MET 3 7.359 1.822 -1.641 12 HB2 MET 3 1HB MET 3 8.431 2.825 -4.301 13 HB3 MET 3 2HB MET 3 9.022 1.387 -3.461 14 HG2 MET 3 1HG MET 3 6.186 1.775 -4.464 15 HG3 MET 3 2HG MET 3 7.451 0.839 -5.276 16 HE1 MET 3 1HE MET 3 4.501 -0.285 -4.373 17 HE2 MET 3 2HE MET 3 5.709 -1.192 -5.314 18 HE3 MET 3 3HE MET 3 4.997 -1.915 -3.855 19 H LYS 4 H LYS 4 9.127 1.715 -0.401 20 HA LYS 4 HA LYS 4 11.308 3.698 -0.667 21 HB2 LYS 4 1HB LYS 4 9.762 3.191 1.923 22 HB3 LYS 4 2HB LYS 4 11.358 3.953 1.846 23 HG2 LYS 4 1HG LYS 4 10.384 5.779 0.458 24 HG3 LYS 4 2HG LYS 4 8.779 5.049 0.688 25 HD2 LYS 4 1HD LYS 4 9.049 5.271 3.141 26 HD3 LYS 4 2HD LYS 4 10.630 6.041 2.885 27 HE2 LYS 4 1HE LYS 4 9.522 7.840 1.575 28 HE3 LYS 4 2HE LYS 4 7.945 7.083 1.898 29 HZ1 LYS 4 1HZ LYS 4 8.404 8.866 3.463 30 HZ2 LYS 4 2HZ LYS 4 9.798 8.140 3.961 31 HZ3 LYS 4 3HZ LYS 4 8.344 7.429 4.268 32 H TYR 5 H TYR 5 13.237 2.665 -0.027 33 HA TYR 5 HA TYR 5 14.661 0.946 0.273 34 HB2 TYR 5 1HB TYR 5 12.552 0.354 2.355 35 HB3 TYR 5 2HB TYR 5 13.967 -0.642 2.164 36 HD1 TYR 5 HD1 TYR 5 12.720 1.914 4.094 37 HD2 TYR 5 HD2 TYR 5 16.286 0.901 1.898 38 HE1 TYR 5 HE1 TYR 5 14.067 3.440 5.543 39 HE2 TYR 5 HE2 TYR 5 17.611 2.430 3.339 40 HH TYR 5 HH TYR 5 16.138 4.281 6.016 41 H LEU 6 H LEU 6 14.874 -1.573 0.496 42 HA LEU 6 HA LEU 6 13.732 -2.669 -1.939 43 HB2 LEU 6 1HB LEU 6 15.236 -4.035 0.325 44 HB3 LEU 6 2HB LEU 6 14.920 -4.716 -1.261 45 HG LEU 6 HG LEU 6 16.705 -2.339 -0.724 46 HD11 LEU 6 1HD1 LEU 6 18.542 -3.896 -1.204 47 HD12 LEU 6 2HD1 LEU 6 17.378 -5.226 -1.409 48 HD13 LEU 6 3HD1 LEU 6 17.594 -4.461 0.184 49 HD21 LEU 6 1HD2 LEU 6 17.460 -2.679 -3.060 50 HD22 LEU 6 2HD2 LEU 6 15.747 -2.225 -2.964 51 HD23 LEU 6 3HD2 LEU 6 16.194 -3.918 -3.270 52 H ASN 7 H ASN 7 13.223 -3.136 1.544 53 HA ASN 7 HA ASN 7 11.622 -4.196 2.762 54 HB2 ASN 7 1HB ASN 7 10.246 -2.708 0.639 55 HB3 ASN 7 2HB ASN 7 9.252 -3.972 1.358 56 HD21 ASN 7 1HD2 ASN 7 9.695 -0.578 3.303 57 HD22 ASN 7 2HD2 ASN 7 10.081 -0.806 1.609 58 H VAL 8 H VAL 8 13.060 -6.132 1.807 59 HA VAL 8 HA VAL 8 11.149 -8.146 0.686 60 HB VAL 8 HB VAL 8 12.815 -9.042 -0.622 61 HG11 VAL 8 1HG1 VAL 8 14.296 -6.459 0.002 62 HG12 VAL 8 2HG1 VAL 8 14.404 -7.432 -1.483 63 HG13 VAL 8 3HG1 VAL 8 12.899 -6.578 -1.111 64 HG21 VAL 8 1HG2 VAL 8 14.752 -8.427 1.609 65 HG22 VAL 8 2HG2 VAL 8 14.168 -10.007 1.073 66 HG23 VAL 8 3HG2 VAL 8 15.264 -9.072 0.044 67 H LEU 9 H LEU 9 11.434 -10.377 1.641 68 HA LEU 9 HA LEU 9 12.033 -10.101 4.545 69 HB2 LEU 9 1HB LEU 9 10.707 -12.344 2.991 70 HB3 LEU 9 2HB LEU 9 10.922 -12.300 4.736 71 HG LEU 9 HG LEU 9 9.209 -10.382 3.119 72 HD11 LEU 9 1HD1 LEU 9 7.325 -11.566 4.157 73 HD12 LEU 9 2HD1 LEU 9 8.454 -12.668 4.980 74 HD13 LEU 9 3HD1 LEU 9 8.324 -12.680 3.202 75 HD21 LEU 9 1HD2 LEU 9 10.037 -9.261 5.119 76 HD22 LEU 9 2HD2 LEU 9 9.590 -10.652 6.129 77 HD23 LEU 9 3HD2 LEU 9 8.330 -9.670 5.345 78 H ALA 10 H ALA 10 13.531 -11.414 5.623 79 HA ALA 10 HA ALA 10 15.093 -13.326 3.955 80 HB1 ALA 10 1HB ALA 10 16.316 -11.175 3.926 81 HB2 ALA 10 2HB ALA 10 16.329 -11.168 5.702 82 HB3 ALA 10 3HB ALA 10 17.210 -12.432 4.806 83 H LYS 11 H LYS 11 15.912 -15.081 5.078 84 HA LYS 11 HA LYS 11 14.930 -15.332 7.898 85 HB2 LYS 11 1HB LYS 11 14.053 -17.008 6.385 86 HB3 LYS 11 2HB LYS 11 15.669 -17.431 5.816 87 HG2 LYS 11 1HG LYS 11 16.243 -18.431 7.908 88 HG3 LYS 11 2HG LYS 11 14.849 -17.718 8.731 89 HD2 LYS 11 1HD LYS 11 14.560 -19.748 6.497 90 HD3 LYS 11 2HD LYS 11 14.747 -20.201 8.202 91 HE2 LYS 11 1HE LYS 11 12.774 -18.661 8.707 92 HE3 LYS 11 2HE LYS 11 12.500 -18.586 6.962 93 HZ1 LYS 11 1HZ LYS 11 11.129 -20.259 7.997 94 HZ2 LYS 11 2HZ LYS 11 12.443 -21.038 8.617 95 HZ3 LYS 11 3HZ LYS 11 12.202 -20.999 6.984 96 H ALA 12 H ALA 12 16.300 -15.773 9.525 97 HA ALA 12 HA ALA 12 19.163 -15.486 9.156 98 HB1 ALA 12 1HB ALA 12 17.445 -16.292 11.525 99 HB2 ALA 12 2HB ALA 12 19.181 -15.939 11.601 100 HB3 ALA 12 3HB ALA 12 18.030 -14.663 11.145 101 H LEU 13 H LEU 13 20.671 -17.036 8.777 102 HA LEU 13 HA LEU 13 19.823 -19.890 8.823 103 HB2 LEU 13 1HB LEU 13 22.469 -18.598 8.119 104 HB3 LEU 13 2HB LEU 13 22.115 -20.303 7.997 105 HG LEU 13 HG LEU 13 22.009 -19.753 5.859 106 HD11 LEU 13 1HD1 LEU 13 19.743 -20.597 6.449 107 HD12 LEU 13 2HD1 LEU 13 19.782 -19.590 4.990 108 HD13 LEU 13 3HD1 LEU 13 19.171 -18.910 6.519 109 HD21 LEU 13 1HD2 LEU 13 21.518 -17.653 4.908 110 HD22 LEU 13 2HD2 LEU 13 22.538 -17.382 6.321 111 HD23 LEU 13 3HD2 LEU 13 20.782 -17.079 6.424 112 H TYR 14 H TYR 14 21.401 -17.564 10.782 113 HA TYR 14 HA TYR 14 22.227 -19.663 12.707 114 HB2 TYR 14 1HB TYR 14 24.017 -17.410 11.706 115 HB3 TYR 14 2HB TYR 14 24.382 -18.499 13.047 116 HD1 TYR 14 HD1 TYR 14 24.250 -18.150 9.386 117 HD2 TYR 14 HD2 TYR 14 24.932 -20.896 12.630 118 HE1 TYR 14 HE1 TYR 14 25.236 -19.793 7.793 119 HE2 TYR 14 HE2 TYR 14 25.962 -22.504 11.043 120 HH TYR 14 HH TYR 14 26.480 -22.963 8.862 121 H ASP 15 H ASP 15 22.671 -18.674 14.835 122 HA ASP 15 HA ASP 15 20.827 -16.548 15.515 123 HB2 ASP 15 1HB ASP 15 23.156 -17.766 17.062 124 HB3 ASP 15 2HB ASP 15 21.864 -16.764 17.746 125 H ASN 16 H ASN 16 21.457 -14.427 16.299 126 HA ASN 16 HA ASN 16 24.271 -13.646 15.736 127 HB2 ASN 16 1HB ASN 16 22.739 -13.009 13.779 128 HB3 ASN 16 2HB ASN 16 21.966 -11.872 14.891 129 HD21 ASN 16 1HD2 ASN 16 24.423 -9.455 14.310 130 HD22 ASN 16 2HD2 ASN 16 22.748 -9.846 14.666 131 H VAL 17 H VAL 17 25.100 -12.319 17.223 132 HA VAL 17 HA VAL 17 23.245 -11.224 19.288 133 HB VAL 17 HB VAL 17 26.197 -12.015 19.543 134 HG11 VAL 17 1HG1 VAL 17 25.893 -11.489 21.955 135 HG12 VAL 17 2HG1 VAL 17 25.664 -10.055 20.938 136 HG13 VAL 17 3HG1 VAL 17 24.248 -10.900 21.620 137 HG21 VAL 17 1HG2 VAL 17 23.680 -13.283 20.733 138 HG22 VAL 17 2HG2 VAL 17 24.732 -13.998 19.491 139 HG23 VAL 17 3HG2 VAL 17 25.357 -13.748 21.135 140 H ALA 18 H ALA 18 23.158 -9.090 19.266 141 HA ALA 18 HA ALA 18 24.661 -7.617 17.281 142 HB1 ALA 18 1HB ALA 18 22.705 -6.738 19.442 143 HB2 ALA 18 2HB ALA 18 23.348 -5.692 18.158 144 HB3 ALA 18 3HB ALA 18 22.322 -7.080 17.736 145 H GLU 19 H GLU 19 26.513 -6.572 17.562 146 HA GLU 19 HA GLU 19 27.543 -6.255 20.376 147 HB2 GLU 19 1HB GLU 19 28.999 -6.571 17.725 148 HB3 GLU 19 2HB GLU 19 29.786 -6.270 19.279 149 HG2 GLU 19 1HG GLU 19 28.895 -8.373 20.157 150 HG3 GLU 19 2HG GLU 19 28.051 -8.675 18.636 151 H SER 20 H SER 20 26.609 -4.745 17.428 152 HA SER 20 HA SER 20 27.704 -2.099 18.300 153 HB2 SER 20 1HB SER 20 28.237 -2.664 15.990 154 HB3 SER 20 2HB SER 20 26.562 -3.135 15.674 155 HG SER 20 HG SER 20 27.260 -0.957 14.978 156 HA PRO 21 HA PRO 21 23.582 -1.170 19.612 157 HB2 PRO 21 1HB PRO 21 23.509 1.559 19.319 158 HB3 PRO 21 2HB PRO 21 24.456 0.749 20.611 159 HG2 PRO 21 1HG PRO 21 25.394 1.735 17.918 160 HG3 PRO 21 2HG PRO 21 26.101 2.034 19.538 161 HD2 PRO 21 1HD PRO 21 27.091 0.165 17.936 162 HD3 PRO 21 2HD PRO 21 26.965 -0.094 19.708 163 H ASP 22 H ASP 22 24.787 -0.497 16.446 164 HA ASP 22 HA ASP 22 22.174 0.255 15.337 165 HB2 ASP 22 1HB ASP 22 24.999 -0.020 14.242 166 HB3 ASP 22 2HB ASP 22 23.610 0.278 13.190 167 H GLU 23 H GLU 23 23.577 -2.617 16.290 168 HA GLU 23 HA GLU 23 22.853 -4.073 13.805 169 HB2 GLU 23 1HB GLU 23 25.118 -4.319 14.821 170 HB3 GLU 23 2HB GLU 23 24.371 -5.011 16.260 171 HG2 GLU 23 1HG GLU 23 23.496 -6.868 14.878 172 HG3 GLU 23 2HG GLU 23 24.264 -6.155 13.455 173 H LEU 24 H LEU 24 21.493 -5.881 13.794 174 HA LEU 24 HA LEU 24 19.550 -5.969 16.047 175 HB2 LEU 24 1HB LEU 24 19.585 -7.228 13.298 176 HB3 LEU 24 2HB LEU 24 18.378 -7.620 14.518 177 HG LEU 24 HG LEU 24 18.841 -4.874 13.288 178 HD11 LEU 24 1HD1 LEU 24 16.608 -5.299 12.250 179 HD12 LEU 24 2HD1 LEU 24 16.685 -6.967 12.861 180 HD13 LEU 24 3HD1 LEU 24 17.882 -6.387 11.682 181 HD21 LEU 24 1HD2 LEU 24 16.660 -4.337 14.418 182 HD22 LEU 24 2HD2 LEU 24 18.017 -4.591 15.531 183 HD23 LEU 24 3HD2 LEU 24 16.796 -5.872 15.305 184 H SER 25 H SER 25 19.137 -7.734 17.262 185 HA SER 25 HA SER 25 21.017 -10.024 17.001 186 HB2 SER 25 1HB SER 25 20.412 -10.454 19.400 187 HB3 SER 25 2HB SER 25 21.274 -8.923 19.160 188 HG SER 25 HG SER 25 19.449 -8.665 20.506 189 H PHE 26 H PHE 26 20.116 -11.963 16.724 190 HA PHE 26 HA PHE 26 17.249 -12.419 17.070 191 HB2 PHE 26 1HB PHE 26 16.861 -13.041 14.691 192 HB3 PHE 26 2HB PHE 26 17.108 -11.326 14.974 193 HD1 PHE 26 HD1 PHE 26 18.610 -10.115 13.748 194 HD2 PHE 26 HD2 PHE 26 18.980 -14.402 13.859 195 HE1 PHE 26 HE1 PHE 26 20.277 -10.007 11.948 196 HE2 PHE 26 HE2 PHE 26 20.687 -14.296 12.036 197 HZ PHE 26 HZ PHE 26 21.302 -12.104 11.035 198 H ARG 27 H ARG 27 16.567 -14.578 16.160 199 HA ARG 27 HA ARG 27 18.677 -16.557 16.897 200 HB2 ARG 27 1HB ARG 27 16.362 -16.192 18.107 201 HB3 ARG 27 2HB ARG 27 15.672 -16.988 16.691 202 HG2 ARG 27 1HG ARG 27 15.913 -18.685 18.265 203 HG3 ARG 27 2HG ARG 27 17.307 -18.900 17.196 204 HD2 ARG 27 1HD ARG 27 18.546 -17.362 18.909 205 HD3 ARG 27 2HD ARG 27 17.221 -17.774 20.006 206 HE ARG 27 HE ARG 27 19.346 -19.540 18.950 207 HH11 ARG 27 1HH1 ARG 27 16.304 -19.411 20.754 208 HH12 ARG 27 2HH1 ARG 27 16.561 -20.974 21.482 209 HH21 ARG 27 1HH2 ARG 27 19.598 -21.510 19.912 210 HH22 ARG 27 2HH2 ARG 27 18.399 -22.148 21.005 211 H LYS 28 H LYS 28 18.825 -18.483 15.710 212 HA LYS 28 HA LYS 28 18.723 -18.304 12.867 213 HB2 LYS 28 1HB LYS 28 20.107 -19.871 14.183 214 HB3 LYS 28 2HB LYS 28 18.664 -20.684 14.777 215 HG2 LYS 28 1HG LYS 28 18.193 -21.629 12.652 216 HG3 LYS 28 2HG LYS 28 19.384 -20.594 11.843 217 HD2 LYS 28 1HD LYS 28 21.210 -21.631 13.092 218 HD3 LYS 28 2HD LYS 28 20.071 -22.631 14.006 219 HE2 LYS 28 1HE LYS 28 19.522 -23.928 12.057 220 HE3 LYS 28 2HE LYS 28 20.362 -22.778 10.985 221 HZ1 LYS 28 1HZ LYS 28 21.733 -24.317 13.111 222 HZ2 LYS 28 2HZ LYS 28 22.434 -23.381 11.952 223 HZ3 LYS 28 3HZ LYS 28 21.694 -24.795 11.536 224 H GLY 29 H GLY 29 17.101 -18.462 11.465 225 HA2 GLY 29 1HA GLY 29 15.127 -19.503 10.636 226 HA3 GLY 29 2HA GLY 29 14.612 -19.864 12.281 227 H ASP 30 H ASP 30 15.499 -16.829 12.807 228 HA ASP 30 HA ASP 30 12.808 -15.820 12.732 229 HB2 ASP 30 1HB ASP 30 15.519 -14.542 13.194 230 HB3 ASP 30 2HB ASP 30 14.042 -13.578 13.140 231 H ILE 31 H ILE 31 11.982 -13.999 11.592 232 HA ILE 31 HA ILE 31 13.174 -13.679 8.869 233 HB ILE 31 HB ILE 31 10.238 -13.451 9.689 234 HG12 ILE 31 1HG1 ILE 31 10.875 -15.783 9.677 235 HG13 ILE 31 2HG1 ILE 31 9.894 -15.433 8.260 236 HG21 ILE 31 1HG2 ILE 31 11.659 -13.064 7.010 237 HG22 ILE 31 2HG2 ILE 31 9.900 -13.331 7.143 238 HG23 ILE 31 3HG2 ILE 31 10.641 -11.903 7.889 239 HD11 ILE 31 1HD1 ILE 31 11.521 -16.784 7.392 240 HD12 ILE 31 2HD1 ILE 31 12.184 -15.188 7.023 241 HD13 ILE 31 3HD1 ILE 31 12.799 -16.103 8.422 242 H MET 32 H MET 32 13.853 -11.705 8.388 243 HA MET 32 HA MET 32 12.586 -9.398 9.821 244 HB2 MET 32 1HB MET 32 14.790 -8.279 9.804 245 HB3 MET 32 2HB MET 32 14.766 -9.729 10.787 246 HG2 MET 32 1HG MET 32 15.661 -10.797 8.469 247 HG3 MET 32 2HG MET 32 16.301 -9.154 8.332 248 HE1 MET 32 1HE MET 32 16.140 -12.504 10.232 249 HE2 MET 32 2HE MET 32 17.299 -12.332 11.567 250 HE3 MET 32 3HE MET 32 15.709 -11.532 11.668 251 H THR 33 H THR 33 12.629 -7.420 8.685 252 HA THR 33 HA THR 33 12.269 -7.860 5.773 253 HB THR 33 HB THR 33 11.667 -5.471 7.572 254 HG1 THR 33 HG1 THR 33 9.479 -6.211 7.073 255 HG21 THR 33 1HG2 THR 33 11.013 -6.010 4.658 256 HG22 THR 33 2HG2 THR 33 12.017 -4.689 5.322 257 HG23 THR 33 3HG2 THR 33 10.277 -4.721 5.644 258 H VAL 34 H VAL 34 14.003 -7.555 4.495 259 HA VAL 34 HA VAL 34 16.258 -5.919 5.382 260 HB VAL 34 HB VAL 34 15.796 -7.139 2.664 261 HG11 VAL 34 1HG1 VAL 34 18.290 -7.062 2.535 262 HG12 VAL 34 2HG1 VAL 34 17.551 -5.450 2.638 263 HG13 VAL 34 3HG1 VAL 34 18.311 -6.174 4.080 264 HG21 VAL 34 1HG2 VAL 34 15.668 -8.937 4.202 265 HG22 VAL 34 2HG2 VAL 34 17.323 -8.950 3.569 266 HG23 VAL 34 3HG2 VAL 34 17.008 -8.290 5.180 267 H LEU 35 H LEU 35 16.464 -3.855 5.099 268 HA LEU 35 HA LEU 35 14.514 -2.450 3.371 269 HB2 LEU 35 1HB LEU 35 16.492 -1.494 5.461 270 HB3 LEU 35 2HB LEU 35 15.340 -0.469 4.623 271 HG LEU 35 HG LEU 35 14.561 -2.813 6.395 272 HD11 LEU 35 1HD1 LEU 35 15.665 -1.170 7.703 273 HD12 LEU 35 2HD1 LEU 35 13.921 -1.025 7.979 274 HD13 LEU 35 3HD1 LEU 35 14.749 0.149 6.931 275 HD21 LEU 35 1HD2 LEU 35 12.920 -0.550 5.180 276 HD22 LEU 35 2HD2 LEU 35 12.320 -1.740 6.361 277 HD23 LEU 35 3HD2 LEU 35 12.828 -2.278 4.751 278 H GLU 36 H GLU 36 18.062 -2.651 4.005 279 HA GLU 36 HA GLU 36 18.449 -2.372 1.119 280 HB2 GLU 36 1HB GLU 36 19.745 -0.449 1.045 281 HB3 GLU 36 2HB GLU 36 18.371 -0.010 2.041 282 HG2 GLU 36 1HG GLU 36 19.773 -0.376 4.013 283 HG3 GLU 36 2HG GLU 36 21.144 -0.558 2.915 284 H ARG 37 H ARG 37 20.929 -2.523 0.657 285 HA ARG 37 HA ARG 37 22.166 -4.323 2.699 286 HB2 ARG 37 1HB ARG 37 22.161 -4.650 -0.318 287 HB3 ARG 37 2HB ARG 37 23.039 -5.667 0.828 288 HG2 ARG 37 1HG ARG 37 20.825 -6.271 1.862 289 HG3 ARG 37 2HG ARG 37 20.036 -5.423 0.528 290 HD2 ARG 37 1HD ARG 37 21.935 -7.767 0.255 291 HD3 ARG 37 2HD ARG 37 20.165 -7.827 0.093 292 HE ARG 37 HE ARG 37 21.263 -5.854 -1.675 293 HH11 ARG 37 1HH1 ARG 37 21.049 -9.358 -1.369 294 HH12 ARG 37 2HH1 ARG 37 21.189 -9.613 -3.089 295 HH21 ARG 37 1HH2 ARG 37 21.441 -6.243 -3.847 296 HH22 ARG 37 2HH2 ARG 37 21.411 -7.869 -4.470 297 H ASP 38 H ASP 38 24.402 -4.168 2.778 298 HA ASP 38 HA ASP 38 26.387 -3.109 2.746 299 HB2 ASP 38 1HB ASP 38 25.689 -2.343 -0.096 300 HB3 ASP 38 2HB ASP 38 27.302 -2.554 0.606 301 H THR 39 H THR 39 24.237 -1.936 3.856 302 HA THR 39 HA THR 39 23.704 0.790 3.189 303 HB THR 39 HB THR 39 22.170 -0.486 4.599 304 HG1 THR 39 HG1 THR 39 22.006 1.607 5.124 305 HG21 THR 39 1HG2 THR 39 22.730 -1.061 6.893 306 HG22 THR 39 2HG2 THR 39 24.438 -0.696 6.552 307 HG23 THR 39 3HG2 THR 39 23.599 -2.011 5.685 308 H GLN 40 H GLN 40 24.508 2.698 4.075 309 HA GLN 40 HA GLN 40 26.120 4.137 4.776 310 HB2 GLN 40 1HB GLN 40 27.054 2.211 6.867 311 HB3 GLN 40 2HB GLN 40 26.955 3.963 6.929 312 HG2 GLN 40 1HG GLN 40 24.448 3.696 6.890 313 HG3 GLN 40 2HG GLN 40 24.693 1.962 7.083 314 HE21 GLN 40 1HE2 GLN 40 24.231 2.789 10.513 315 HE22 GLN 40 2HE2 GLN 40 23.393 2.321 9.048 316 H GLY 41 H GLY 41 26.871 1.717 2.972 317 HA2 GLY 41 1HA GLY 41 28.795 1.351 1.697 318 HA3 GLY 41 2HA GLY 41 29.699 2.457 2.747 319 H LEU 42 H LEU 42 27.891 0.129 4.502 320 HA LEU 42 HA LEU 42 30.381 -1.192 5.303 321 HB2 LEU 42 1HB LEU 42 27.522 -1.526 6.230 322 HB3 LEU 42 2HB LEU 42 28.936 -2.204 7.004 323 HG LEU 42 HG LEU 42 28.469 0.760 6.758 324 HD11 LEU 42 1HD1 LEU 42 27.636 0.632 9.084 325 HD12 LEU 42 2HD1 LEU 42 27.720 -1.145 9.007 326 HD13 LEU 42 3HD1 LEU 42 26.599 -0.251 7.948 327 HD21 LEU 42 1HD2 LEU 42 30.763 0.158 7.234 328 HD22 LEU 42 2HD2 LEU 42 30.234 -0.912 8.559 329 HD23 LEU 42 3HD2 LEU 42 30.001 0.847 8.680 330 H ASP 43 H ASP 43 30.895 -2.407 3.468 331 HA ASP 43 HA ASP 43 29.111 -3.985 1.957 332 HB2 ASP 43 1HB ASP 43 32.059 -4.274 2.597 333 HB3 ASP 43 2HB ASP 43 31.210 -5.469 1.599 334 H GLY 44 H GLY 44 27.991 -5.759 2.287 335 HA2 GLY 44 1HA GLY 44 27.649 -7.943 3.101 336 HA3 GLY 44 2HA GLY 44 28.999 -7.752 4.222 337 H TRP 45 H TRP 45 27.488 -5.007 4.972 338 HA TRP 45 HA TRP 45 25.824 -6.303 7.047 339 HB2 TRP 45 1HB TRP 45 26.962 -3.557 6.554 340 HB3 TRP 45 2HB TRP 45 25.731 -3.802 7.757 341 HD1 TRP 45 HD1 TRP 45 29.421 -3.947 7.354 342 HE1 TRP 45 HE1 TRP 45 30.584 -4.869 9.412 343 HE3 TRP 45 HE3 TRP 45 25.291 -5.867 9.620 344 HZ2 TRP 45 HZ2 TRP 45 29.788 -6.334 11.761 345 HZ3 TRP 45 HZ3 TRP 45 25.538 -7.011 11.811 346 HH2 TRP 45 HH2 TRP 45 27.761 -7.253 12.861 347 H TRP 46 H TRP 46 23.658 -6.364 6.864 348 HA TRP 46 HA TRP 46 22.421 -4.729 4.676 349 HB2 TRP 46 1HB TRP 46 21.609 -7.419 5.827 350 HB3 TRP 46 2HB TRP 46 20.700 -6.522 4.605 351 HD1 TRP 46 HD1 TRP 46 24.121 -5.966 3.539 352 HE1 TRP 46 HE1 TRP 46 24.955 -7.573 1.775 353 HE3 TRP 46 HE3 TRP 46 20.490 -9.531 4.095 354 HZ2 TRP 46 HZ2 TRP 46 24.173 -10.128 0.749 355 HZ3 TRP 46 HZ3 TRP 46 20.626 -11.595 2.703 356 HH2 TRP 46 HH2 TRP 46 22.426 -11.866 1.021 357 H LEU 47 H LEU 47 21.005 -3.215 5.278 358 HA LEU 47 HA LEU 47 20.266 -2.888 8.078 359 HB2 LEU 47 1HB LEU 47 20.612 -0.971 6.546 360 HB3 LEU 47 2HB LEU 47 19.305 -1.556 5.526 361 HG LEU 47 HG LEU 47 17.687 -1.098 7.283 362 HD11 LEU 47 1HD1 LEU 47 20.078 -0.113 8.865 363 HD12 LEU 47 2HD1 LEU 47 18.959 -1.430 9.292 364 HD13 LEU 47 3HD1 LEU 47 18.390 0.243 9.279 365 HD21 LEU 47 1HD2 LEU 47 18.220 0.649 5.646 366 HD22 LEU 47 2HD2 LEU 47 19.510 1.263 6.702 367 HD23 LEU 47 3HD2 LEU 47 17.805 1.356 7.218 368 H CYS 48 H CYS 48 18.646 -3.957 9.041 369 HA CYS 48 HA CYS 48 16.287 -4.660 7.366 370 HB2 CYS 48 1HB CYS 48 17.463 -6.526 9.451 371 HB3 CYS 48 2HB CYS 48 16.177 -6.865 8.294 372 HG CYS 48 HG CYS 48 19.371 -6.243 7.677 373 H SER 49 H SER 49 14.457 -5.416 8.777 374 HA SER 49 HA SER 49 14.439 -3.923 11.364 375 HB2 SER 49 1HB SER 49 12.723 -2.656 10.698 376 HB3 SER 49 2HB SER 49 13.119 -3.135 9.057 377 HG SER 49 HG SER 49 10.955 -3.558 9.434 378 H LEU 50 H LEU 50 13.715 -5.043 13.036 379 HA LEU 50 HA LEU 50 12.077 -7.490 12.655 380 HB2 LEU 50 1HB LEU 50 14.492 -8.204 12.505 381 HB3 LEU 50 2HB LEU 50 14.765 -7.449 14.075 382 HG LEU 50 HG LEU 50 12.867 -9.058 14.869 383 HD11 LEU 50 1HD1 LEU 50 13.922 -10.650 12.556 384 HD12 LEU 50 2HD1 LEU 50 12.329 -9.867 12.586 385 HD13 LEU 50 3HD1 LEU 50 12.712 -11.145 13.755 386 HD21 LEU 50 1HD2 LEU 50 14.518 -10.749 15.408 387 HD22 LEU 50 2HD2 LEU 50 15.111 -9.100 15.691 388 HD23 LEU 50 3HD2 LEU 50 15.640 -9.988 14.244 389 H HIS 51 H HIS 51 10.692 -7.673 14.380 390 HA HIS 51 HA HIS 51 9.571 -7.143 16.305 391 HB2 HIS 51 1HB HIS 51 12.339 -6.636 17.463 392 HB3 HIS 51 2HB HIS 51 10.863 -6.957 18.378 393 HD1 HIS 51 HD1 HIS 51 13.400 -8.787 18.649 394 HD2 HIS 51 HD2 HIS 51 10.183 -9.545 16.124 395 HE1 HIS 51 HE1 HIS 51 13.376 -11.281 18.211 396 H GLY 52 H GLY 52 10.200 -4.914 14.396 397 HA2 GLY 52 1HA GLY 52 9.593 -2.676 14.358 398 HA3 GLY 52 2HA GLY 52 9.290 -2.748 16.101 399 H ARG 53 H ARG 53 12.431 -3.877 15.240 400 HA ARG 53 HA ARG 53 13.619 -1.227 15.994 401 HB2 ARG 53 1HB ARG 53 13.760 -3.486 17.470 402 HB3 ARG 53 2HB ARG 53 15.028 -3.880 16.322 403 HG2 ARG 53 1HG ARG 53 14.976 -1.434 18.143 404 HG3 ARG 53 2HG ARG 53 15.910 -2.913 18.416 405 HD2 ARG 53 1HD ARG 53 16.969 -2.451 16.106 406 HD3 ARG 53 2HD ARG 53 16.292 -0.830 16.258 407 HE ARG 53 HE ARG 53 18.616 -1.922 17.615 408 HH11 ARG 53 1HH1 ARG 53 16.172 0.630 17.799 409 HH12 ARG 53 2HH1 ARG 53 17.225 1.686 18.697 410 HH21 ARG 53 1HH2 ARG 53 19.903 -0.500 18.717 411 HH22 ARG 53 2HH2 ARG 53 19.281 1.047 19.227 412 H GLN 54 H GLN 54 15.185 -0.523 14.540 413 HA GLN 54 HA GLN 54 15.587 -2.184 12.095 414 HB2 GLN 54 1HB GLN 54 15.072 0.624 12.602 415 HB3 GLN 54 2HB GLN 54 16.619 0.427 11.768 416 HG2 GLN 54 1HG GLN 54 15.500 -0.881 10.032 417 HG3 GLN 54 2HG GLN 54 13.960 -0.686 10.878 418 HE21 GLN 54 1HE2 GLN 54 15.619 2.718 9.246 419 HE22 GLN 54 2HE2 GLN 54 16.647 1.547 10.031 420 H GLY 55 H GLY 55 17.704 -2.656 11.413 421 HA2 GLY 55 1HA GLY 55 19.986 -1.300 12.449 422 HA3 GLY 55 2HA GLY 55 19.723 -2.762 13.405 423 H ILE 56 H ILE 56 22.063 -2.535 12.057 424 HA ILE 56 HA ILE 56 21.823 -3.786 9.406 425 HB ILE 56 HB ILE 56 24.295 -3.735 9.354 426 HG12 ILE 56 1HG1 ILE 56 24.031 -2.808 12.260 427 HG13 ILE 56 2HG1 ILE 56 24.677 -4.351 11.733 428 HG21 ILE 56 1HG2 ILE 56 23.319 -1.122 10.616 429 HG22 ILE 56 2HG2 ILE 56 24.549 -1.347 9.350 430 HG23 ILE 56 3HG2 ILE 56 22.838 -1.638 8.983 431 HD11 ILE 56 1HD1 ILE 56 25.883 -1.602 11.385 432 HD12 ILE 56 2HD1 ILE 56 26.510 -2.989 12.299 433 HD13 ILE 56 3HD1 ILE 56 26.485 -3.044 10.526 434 H VAL 57 H VAL 57 22.808 -5.793 8.870 435 HA VAL 57 HA VAL 57 23.002 -7.801 11.071 436 HB VAL 57 HB VAL 57 21.321 -8.035 8.569 437 HG11 VAL 57 1HG1 VAL 57 20.563 -10.194 9.521 438 HG12 VAL 57 2HG1 VAL 57 22.228 -10.147 8.912 439 HG13 VAL 57 3HG1 VAL 57 21.915 -10.050 10.655 440 HG21 VAL 57 1HG2 VAL 57 19.393 -8.292 10.163 441 HG22 VAL 57 2HG2 VAL 57 20.515 -7.824 11.462 442 HG23 VAL 57 3HG2 VAL 57 20.131 -6.678 10.162 443 HA PRO 58 HA PRO 58 26.266 -8.898 8.215 444 HB2 PRO 58 1HB PRO 58 26.980 -11.368 9.158 445 HB3 PRO 58 2HB PRO 58 27.377 -9.850 10.029 446 HG2 PRO 58 1HG PRO 58 25.095 -11.750 10.510 447 HG3 PRO 58 2HG PRO 58 26.240 -11.053 11.691 448 HD2 PRO 58 1HD PRO 58 23.758 -10.024 11.251 449 HD3 PRO 58 2HD PRO 58 25.147 -8.995 11.683 450 H GLY 59 H GLY 59 25.617 -9.337 6.164 451 HA2 GLY 59 1HA GLY 59 23.440 -11.011 5.457 452 HA3 GLY 59 2HA GLY 59 24.724 -10.464 4.371 453 H ASN 60 H ASN 60 26.726 -11.835 6.226 454 HA ASN 60 HA ASN 60 26.903 -14.315 4.822 455 HB2 ASN 60 1HB ASN 60 28.629 -12.817 6.310 456 HB3 ASN 60 2HB ASN 60 28.245 -14.095 7.474 457 HD21 ASN 60 1HD2 ASN 60 29.517 -16.633 5.090 458 HD22 ASN 60 2HD2 ASN 60 28.007 -16.323 5.925 459 H ARG 61 H ARG 61 25.021 -13.388 7.584 460 HA ARG 61 HA ARG 61 24.542 -16.280 8.242 461 HB2 ARG 61 1HB ARG 61 24.149 -13.800 9.965 462 HB3 ARG 61 2HB ARG 61 23.772 -15.457 10.446 463 HG2 ARG 61 1HG ARG 61 26.161 -16.064 10.242 464 HG3 ARG 61 2HG ARG 61 26.543 -14.391 9.795 465 HD2 ARG 61 1HD ARG 61 25.666 -13.601 11.965 466 HD3 ARG 61 2HD ARG 61 25.281 -15.271 12.411 467 HE ARG 61 HE ARG 61 28.033 -15.161 11.699 468 HH11 ARG 61 1HH1 ARG 61 25.950 -13.959 14.298 469 HH12 ARG 61 2HH1 ARG 61 27.246 -14.013 15.463 470 HH21 ARG 61 1HH2 ARG 61 29.602 -15.186 13.218 471 HH22 ARG 61 2HH2 ARG 61 29.290 -14.665 14.862 472 H LEU 62 H LEU 62 23.304 -14.080 6.264 473 HA LEU 62 HA LEU 62 20.488 -14.640 7.079 474 HB2 LEU 62 1HB LEU 62 21.591 -12.218 7.267 475 HB3 LEU 62 2HB LEU 62 21.189 -12.176 5.553 476 HG LEU 62 HG LEU 62 18.840 -12.656 6.105 477 HD11 LEU 62 1HD1 LEU 62 19.678 -12.285 8.956 478 HD12 LEU 62 2HD1 LEU 62 19.017 -13.749 8.204 479 HD13 LEU 62 3HD1 LEU 62 18.007 -12.321 8.341 480 HD21 LEU 62 1HD2 LEU 62 18.367 -10.396 7.050 481 HD22 LEU 62 2HD2 LEU 62 19.498 -10.411 5.689 482 HD23 LEU 62 3HD2 LEU 62 20.108 -10.224 7.347 483 H LYS 63 H LYS 63 18.984 -15.067 5.535 484 HA LYS 63 HA LYS 63 20.035 -15.260 2.736 485 HB2 LYS 63 1HB LYS 63 19.888 -17.499 3.661 486 HB3 LYS 63 2HB LYS 63 18.227 -17.210 4.188 487 HG2 LYS 63 1HG LYS 63 17.453 -17.110 1.892 488 HG3 LYS 63 2HG LYS 63 19.115 -17.115 1.278 489 HD2 LYS 63 1HD LYS 63 18.191 -19.297 0.964 490 HD3 LYS 63 2HD LYS 63 19.413 -19.391 2.250 491 HE2 LYS 63 1HE LYS 63 17.585 -19.290 3.945 492 HE3 LYS 63 2HE LYS 63 16.394 -19.268 2.624 493 HZ1 LYS 63 1HZ LYS 63 17.261 -21.414 1.908 494 HZ2 LYS 63 2HZ LYS 63 16.751 -21.504 3.475 495 HZ3 LYS 63 3HZ LYS 63 18.365 -21.430 3.135 496 H ILE 64 H ILE 64 19.039 -14.041 1.394 497 HA ILE 64 HA ILE 64 16.559 -12.731 1.952 498 HB ILE 64 HB ILE 64 17.979 -13.203 -0.722 499 HG12 ILE 64 1HG1 ILE 64 19.489 -12.138 0.855 500 HG13 ILE 64 2HG1 ILE 64 18.987 -10.984 -0.367 501 HG21 ILE 64 1HG2 ILE 64 15.828 -11.266 0.151 502 HG22 ILE 64 2HG2 ILE 64 16.817 -11.003 -1.301 503 HG23 ILE 64 3HG2 ILE 64 15.765 -12.432 -1.183 504 HD11 ILE 64 1HD1 ILE 64 18.974 -9.781 1.687 505 HD12 ILE 64 2HD1 ILE 64 17.265 -10.108 1.367 506 HD13 ILE 64 3HD1 ILE 64 18.158 -11.089 2.561 507 H LEU 65 H LEU 65 14.532 -13.437 1.752 508 HA LEU 65 HA LEU 65 14.064 -16.027 0.362 509 HB2 LEU 65 1HB LEU 65 12.236 -14.364 2.132 510 HB3 LEU 65 2HB LEU 65 11.886 -15.966 1.482 511 HG LEU 65 HG LEU 65 14.019 -15.269 3.527 512 HD11 LEU 65 1HD1 LEU 65 12.566 -16.555 5.034 513 HD12 LEU 65 2HD1 LEU 65 11.393 -16.778 3.718 514 HD13 LEU 65 3HD1 LEU 65 11.731 -15.151 4.359 515 HD21 LEU 65 1HD2 LEU 65 14.860 -17.125 2.215 516 HD22 LEU 65 2HD2 LEU 65 13.282 -17.956 2.294 517 HD23 LEU 65 3HD2 LEU 65 14.267 -17.756 3.762 518 H VAL 66 H VAL 66 14.143 -15.380 -1.753 519 HA VAL 66 HA VAL 66 12.811 -13.018 -2.712 520 HB VAL 66 HB VAL 66 13.315 -15.096 -4.746 521 HG11 VAL 66 1HG1 VAL 66 13.021 -12.699 -5.241 522 HG12 VAL 66 2HG1 VAL 66 14.459 -12.308 -4.267 523 HG13 VAL 66 3HG1 VAL 66 14.622 -13.261 -5.764 524 HG21 VAL 66 1HG2 VAL 66 15.628 -14.248 -2.934 525 HG22 VAL 66 2HG2 VAL 66 15.046 -15.912 -3.231 526 HG23 VAL 66 3HG2 VAL 66 15.818 -14.995 -4.532 527 H GLY 67 H GLY 67 11.310 -15.621 -1.503 528 HA2 GLY 67 1HA GLY 67 9.076 -16.198 -1.641 529 HA3 GLY 67 2HA GLY 67 8.896 -15.085 -3.001 530 H MET 68 H MET 68 11.322 -16.755 -4.158 531 HA MET 68 HA MET 68 9.588 -18.418 -5.788 532 HB2 MET 68 1HB MET 68 12.609 -18.131 -5.764 533 HB3 MET 68 2HB MET 68 11.651 -18.922 -7.021 534 HG2 MET 68 1HG MET 68 10.488 -16.736 -7.430 535 HG3 MET 68 2HG MET 68 11.619 -15.972 -6.299 536 HE1 MET 68 1HE MET 68 14.458 -17.214 -6.850 537 HE2 MET 68 2HE MET 68 15.051 -16.207 -8.187 538 HE3 MET 68 3HE MET 68 14.161 -15.458 -6.843 539 H TYR 69 H TYR 69 10.991 -19.025 -2.790 540 HA TYR 69 HA TYR 69 10.975 -21.948 -3.303 541 HB2 TYR 69 1HB TYR 69 13.176 -20.651 -1.676 542 HB3 TYR 69 2HB TYR 69 13.104 -22.299 -2.303 543 HD1 TYR 69 HD1 TYR 69 14.336 -18.963 -2.840 544 HD2 TYR 69 HD2 TYR 69 13.202 -22.556 -4.930 545 HE1 TYR 69 HE1 TYR 69 15.654 -18.229 -4.829 546 HE2 TYR 69 HE2 TYR 69 14.524 -21.811 -6.910 547 HH TYR 69 HH TYR 69 15.826 -20.159 -7.817 548 H ASP 70 H ASP 70 10.578 -23.243 -1.460 549 HA ASP 70 HA ASP 70 10.258 -21.892 1.173 550 HB2 ASP 70 1HB ASP 70 7.963 -22.050 0.227 551 HB3 ASP 70 2HB ASP 70 8.207 -23.782 -0.063 552 H LYS 71 H LYS 71 10.383 -23.431 2.930 553 HA LYS 71 HA LYS 71 10.918 -26.220 2.400 554 HB2 LYS 71 1HB LYS 71 13.164 -25.245 1.851 555 HB3 LYS 71 2HB LYS 71 13.234 -24.555 3.475 556 HG2 LYS 71 1HG LYS 71 14.566 -26.581 3.436 557 HG3 LYS 71 2HG LYS 71 13.145 -26.847 4.452 558 HD2 LYS 71 1HD LYS 71 13.429 -28.840 3.155 559 HD3 LYS 71 2HD LYS 71 12.034 -28.003 2.471 560 HE2 LYS 71 1HE LYS 71 13.330 -28.781 0.624 561 HE3 LYS 71 2HE LYS 71 13.604 -27.029 0.711 562 HZ1 LYS 71 1HZ LYS 71 15.675 -28.226 0.394 563 HZ2 LYS 71 2HZ LYS 71 15.431 -29.124 1.753 564 HZ3 LYS 71 3HZ LYS 71 15.696 -27.498 1.877 565 H LYS 72 H LYS 72 9.515 -26.883 3.938 566 HA LYS 72 HA LYS 72 9.321 -25.557 6.523 567 HB2 LYS 72 1HB LYS 72 8.224 -28.217 5.537 568 HB3 LYS 72 2HB LYS 72 7.818 -27.462 7.084 569 HG2 LYS 72 1HG LYS 72 6.884 -25.510 5.855 570 HG3 LYS 72 2HG LYS 72 7.232 -26.330 4.319 571 HD2 LYS 72 1HD LYS 72 5.755 -28.203 4.998 572 HD3 LYS 72 2HD LYS 72 5.387 -27.343 6.513 573 HE2 LYS 72 1HE LYS 72 4.489 -25.434 5.195 574 HE3 LYS 72 2HE LYS 72 4.830 -26.315 3.693 575 HZ1 LYS 72 1HZ LYS 72 3.279 -28.027 4.429 576 HZ2 LYS 72 2HZ LYS 72 2.525 -26.564 4.372 577 HZ3 LYS 72 3HZ LYS 72 2.965 -27.208 5.825 578 HA PRO 73 HA PRO 73 12.633 -27.975 8.181 579 HB2 PRO 73 1HB PRO 73 12.386 -27.532 10.858 580 HB3 PRO 73 2HB PRO 73 12.886 -26.240 9.717 581 HG2 PRO 73 1HG PRO 73 10.176 -26.782 10.904 582 HG3 PRO 73 2HG PRO 73 11.059 -25.232 10.750 583 HD2 PRO 73 1HD PRO 73 9.100 -26.061 9.001 584 HD3 PRO 73 2HD PRO 73 10.457 -24.983 8.521 585 H ALA 74 H ALA 74 12.346 -30.151 7.869 586 HA ALA 74 HA ALA 74 11.136 -31.696 10.041 587 HB1 ALA 74 1HB ALA 74 10.057 -31.867 7.170 588 HB2 ALA 74 2HB ALA 74 9.644 -32.986 8.492 589 HB3 ALA 74 3HB ALA 74 9.151 -31.277 8.582 590 H GLY 75 H GLY 75 11.853 -33.939 9.914 591 HA2 GLY 75 1HA GLY 75 13.015 -35.388 8.017 592 HA3 GLY 75 2HA GLY 75 14.321 -34.227 8.318 593 H SER 76 H SER 76 15.018 -36.743 8.729 594 HA SER 76 HA SER 76 14.504 -37.620 11.476 595 HB2 SER 76 1HB SER 76 16.250 -39.340 10.858 596 HB3 SER 76 2HB SER 76 14.861 -39.295 9.753 597 HG SER 76 HG SER 76 17.413 -38.114 9.335 598 H GLY 77 H GLY 77 16.422 -37.987 12.961 599 HA2 GLY 77 1HA GLY 77 18.499 -37.356 13.849 600 HA3 GLY 77 2HA GLY 77 18.731 -36.227 12.507 601 H GLY 78 H GLY 78 16.368 -34.715 12.698 602 HA2 GLY 78 1HA GLY 78 17.015 -32.977 14.923 603 HA3 GLY 78 2HA GLY 78 15.683 -32.780 13.770 604 H SER 79 H SER 79 15.679 -35.850 15.153 605 HA SER 79 HA SER 79 13.362 -35.209 16.850 606 HB2 SER 79 1HB SER 79 14.650 -37.919 16.453 607 HB3 SER 79 2HB SER 79 12.948 -37.538 16.803 608 HG SER 79 HG SER 79 12.853 -36.576 14.699 609 H GLY 80 H GLY 80 16.743 -35.391 17.160 610 HA2 GLY 80 1HA GLY 80 16.675 -36.455 19.926 611 HA3 GLY 80 2HA GLY 80 18.116 -36.061 18.969 612 H SER 81 H SER 81 17.621 -35.208 21.693 613 HA SER 81 HA SER 81 16.663 -32.507 21.749 614 HB2 SER 81 1HB SER 81 18.652 -33.836 23.626 615 HB3 SER 81 2HB SER 81 17.575 -32.470 23.992 616 HG SER 81 HG SER 81 15.806 -33.894 23.662 617 H GLY 82 H GLY 82 19.758 -33.941 20.942 618 HA2 GLY 82 1HA GLY 82 20.743 -31.675 19.627 619 HA3 GLY 82 2HA GLY 82 21.428 -31.651 21.277 620 H LEU 83 H LEU 83 22.865 -32.191 18.745 621 HA LEU 83 HA LEU 83 24.116 -34.744 19.525 622 HB2 LEU 83 1HB LEU 83 22.712 -34.321 16.865 623 HB3 LEU 83 2HB LEU 83 24.053 -35.439 17.031 624 HG LEU 83 HG LEU 83 21.407 -35.693 18.497 625 HD11 LEU 83 1HD1 LEU 83 21.164 -35.991 16.071 626 HD12 LEU 83 2HD1 LEU 83 20.994 -37.543 16.919 627 HD13 LEU 83 3HD1 LEU 83 22.507 -37.160 16.072 628 HD21 LEU 83 1HD2 LEU 83 23.804 -37.569 18.282 629 HD22 LEU 83 2HD2 LEU 83 22.227 -38.005 18.980 630 HD23 LEU 83 3HD2 LEU 83 23.217 -36.758 19.753 631 H THR 84 H THR 84 23.889 -32.177 17.044 632 HA THR 84 HA THR 84 26.845 -31.841 17.142 633 HB THR 84 HB THR 84 26.788 -31.469 14.651 634 HG1 THR 84 HG1 THR 84 24.532 -31.053 14.499 635 HG21 THR 84 1HG2 THR 84 26.705 -33.788 13.964 636 HG22 THR 84 2HG2 THR 84 25.708 -34.223 15.368 637 HG23 THR 84 3HG2 THR 84 27.399 -33.725 15.602 638 H ASP 85 H ASP 85 27.382 -29.651 16.163 639 HA ASP 85 HA ASP 85 25.137 -27.713 16.480 640 HB2 ASP 85 1HB ASP 85 27.715 -27.921 17.938 641 HB3 ASP 85 2HB ASP 85 27.343 -26.313 17.291 642 H GLU 86 H GLU 86 25.465 -25.721 15.348 643 HA GLU 86 HA GLU 86 27.389 -25.935 13.058 644 HB2 GLU 86 1HB GLU 86 24.527 -24.932 13.125 645 HB3 GLU 86 2HB GLU 86 25.659 -24.525 11.831 646 HG2 GLU 86 1HG GLU 86 25.919 -26.889 11.279 647 HG3 GLU 86 2HG GLU 86 24.813 -27.321 12.593 648 H LEU 87 H LEU 87 28.963 -24.697 14.008 649 HA LEU 87 HA LEU 87 28.414 -22.212 15.363 650 HB2 LEU 87 1HB LEU 87 30.945 -23.278 14.063 651 HB3 LEU 87 2HB LEU 87 30.874 -21.802 15.025 652 HG LEU 87 HG LEU 87 30.170 -24.566 16.088 653 HD11 LEU 87 1HD1 LEU 87 32.551 -24.412 15.441 654 HD12 LEU 87 2HD1 LEU 87 32.365 -24.479 17.206 655 HD13 LEU 87 3HD1 LEU 87 32.723 -22.926 16.408 656 HD21 LEU 87 1HD2 LEU 87 30.436 -23.453 18.310 657 HD22 LEU 87 2HD2 LEU 87 29.091 -22.784 17.376 658 HD23 LEU 87 3HD2 LEU 87 30.627 -21.885 17.487 659 H ALA 88 H ALA 88 28.281 -20.185 14.635 660 HA ALA 88 HA ALA 88 27.528 -19.877 11.893 661 HB1 ALA 88 1HB ALA 88 26.491 -18.698 13.841 662 HB2 ALA 88 2HB ALA 88 27.981 -17.739 14.006 663 HB3 ALA 88 3HB ALA 88 26.989 -17.604 12.535 664 HA PRO 89 HA PRO 89 31.369 -18.410 10.199 665 HB2 PRO 89 1HB PRO 89 30.500 -16.842 8.138 666 HB3 PRO 89 2HB PRO 89 30.375 -18.625 8.103 667 HG2 PRO 89 1HG PRO 89 28.300 -16.593 8.875 668 HG3 PRO 89 2HG PRO 89 28.164 -17.953 7.713 669 HD2 PRO 89 1HD PRO 89 27.272 -18.157 10.248 670 HD3 PRO 89 2HD PRO 89 28.056 -19.545 9.414 671 HA PRO 90 HA PRO 90 31.966 -14.540 12.113 672 HB2 PRO 90 1HB PRO 90 33.855 -13.215 10.648 673 HB3 PRO 90 2HB PRO 90 34.230 -14.704 11.577 674 HG2 PRO 90 1HG PRO 90 33.558 -14.424 8.657 675 HG3 PRO 90 2HG PRO 90 34.948 -15.268 9.418 676 HD2 PRO 90 1HD PRO 90 32.734 -16.600 8.649 677 HD3 PRO 90 2HD PRO 90 33.594 -17.055 10.156 678 H LYS 91 H LYS 91 31.685 -12.200 12.008 679 HA LYS 91 HA LYS 91 29.832 -11.369 9.828 680 HB2 LYS 91 1HB LYS 91 29.342 -9.441 11.365 681 HB3 LYS 91 2HB LYS 91 28.898 -11.012 12.036 682 HG2 LYS 91 1HG LYS 91 30.852 -11.015 13.489 683 HG3 LYS 91 2HG LYS 91 31.469 -9.539 12.727 684 HD2 LYS 91 1HD LYS 91 30.489 -8.961 14.855 685 HD3 LYS 91 2HD LYS 91 29.476 -8.294 13.570 686 HE2 LYS 91 1HE LYS 91 27.834 -10.086 13.865 687 HE3 LYS 91 2HE LYS 91 28.898 -10.899 15.037 688 HZ1 LYS 91 1HZ LYS 91 28.669 -9.007 16.495 689 HZ2 LYS 91 2HZ LYS 91 27.174 -9.610 16.139 690 HZ3 LYS 91 3HZ LYS 91 27.681 -8.225 15.412 691 HA PRO 92 HA PRO 92 33.236 -8.987 8.322 692 HB2 PRO 92 1HB PRO 92 32.008 -6.828 7.128 693 HB3 PRO 92 2HB PRO 92 32.007 -8.475 6.419 694 HG2 PRO 92 1HG PRO 92 29.896 -7.106 8.010 695 HG3 PRO 92 2HG PRO 92 29.749 -8.049 6.510 696 HD2 PRO 92 1HD PRO 92 29.190 -9.049 8.970 697 HD3 PRO 92 2HD PRO 92 29.850 -10.062 7.643 698 HA PRO 93 HA PRO 93 33.981 -6.109 11.549 699 HB2 PRO 93 1HB PRO 93 35.864 -4.411 10.591 700 HB3 PRO 93 2HB PRO 93 36.202 -6.157 10.799 701 HG2 PRO 93 1HG PRO 93 35.358 -4.695 8.316 702 HG3 PRO 93 2HG PRO 93 36.753 -5.797 8.558 703 HD2 PRO 93 1HD PRO 93 34.414 -6.660 7.510 704 HD3 PRO 93 2HD PRO 93 35.387 -7.700 8.609 705 H LEU 94 H LEU 94 34.127 -3.698 12.149 706 HA LEU 94 HA LEU 94 32.358 -2.028 10.461 707 HB2 LEU 94 1HB LEU 94 32.113 -2.678 13.410 708 HB3 LEU 94 2HB LEU 94 31.501 -1.165 12.763 709 HG LEU 94 HG LEU 94 30.532 -3.930 11.980 710 HD11 LEU 94 1HD1 LEU 94 29.223 -1.637 13.454 711 HD12 LEU 94 2HD1 LEU 94 29.921 -3.086 14.236 712 HD13 LEU 94 3HD1 LEU 94 28.529 -3.247 13.138 713 HD21 LEU 94 1HD2 LEU 94 30.340 -2.426 10.075 714 HD22 LEU 94 2HD2 LEU 94 29.622 -1.158 11.098 715 HD23 LEU 94 3HD2 LEU 94 28.749 -2.677 10.789 716 HA PRO 95 HA PRO 95 35.336 1.134 11.632 717 HB2 PRO 95 1HB PRO 95 33.975 3.357 10.929 718 HB3 PRO 95 2HB PRO 95 34.481 2.169 9.694 719 HG2 PRO 95 1HG PRO 95 31.811 2.486 11.049 720 HG3 PRO 95 2HG PRO 95 32.168 2.332 9.300 721 HD2 PRO 95 1HD PRO 95 31.412 0.203 10.897 722 HD3 PRO 95 2HD PRO 95 32.450 0.021 9.458 723 H GLU 96 H GLU 96 35.287 3.288 12.939 724 HA GLU 96 HA GLU 96 33.756 2.806 15.428 725 HB2 GLU 96 1HB GLU 96 35.973 4.771 14.755 726 HB3 GLU 96 2HB GLU 96 35.227 4.577 16.355 727 HG2 GLU 96 1HG GLU 96 35.958 2.173 16.343 728 HG3 GLU 96 2HG GLU 96 36.834 2.486 14.836 729 H GLY 97 H GLY 97 32.477 3.756 12.921 730 HA2 GLY 97 1HA GLY 97 30.416 5.108 13.170 731 HA3 GLY 97 2HA GLY 97 31.410 6.363 13.924 732 H GLU 98 H GLU 98 30.006 7.329 11.961 733 HA GLU 98 HA GLU 98 31.905 7.530 9.670 734 HB2 GLU 98 1HB GLU 98 29.122 6.669 9.659 735 HB3 GLU 98 2HB GLU 98 29.318 8.158 8.729 736 HG2 GLU 98 1HG GLU 98 31.054 5.706 8.312 737 HG3 GLU 98 2HG GLU 98 29.545 5.996 7.430 738 H VAL 99 H VAL 99 32.192 9.582 8.873 739 HA VAL 99 HA VAL 99 30.809 11.808 10.317 740 HB VAL 99 HB VAL 99 32.997 13.021 10.528 741 HG11 VAL 99 1HG1 VAL 99 32.938 10.340 12.042 742 HG12 VAL 99 2HG1 VAL 99 33.760 11.822 12.557 743 HG13 VAL 99 3HG1 VAL 99 31.993 11.768 12.474 744 HG21 VAL 99 1HG2 VAL 99 34.295 10.307 9.847 745 HG22 VAL 99 2HG2 VAL 99 34.316 11.730 8.797 746 HG23 VAL 99 3HG2 VAL 99 35.144 11.774 10.353 747 HXT VAL 99 H02 VAL 99 31.706 12.114 6.615 Start of MODEL 10 1 H2 GLY 1 2H0 GLY 1 6.790 5.660 3.759 2 H GLY 1 1H0 GLY 1 8.359 5.315 3.469 3 HA2 GLY 1 1HA GLY 1 6.828 7.578 2.315 4 HA3 GLY 1 2HA GLY 1 8.576 7.354 2.094 5 H SER 2 H SER 2 6.636 7.612 0.054 6 HA SER 2 HA SER 2 5.861 5.081 -1.030 7 HB2 SER 2 1HB SER 2 5.621 6.399 -3.158 8 HB3 SER 2 2HB SER 2 4.804 7.140 -1.762 9 HG SER 2 HG SER 2 7.412 7.823 -2.675 10 H MET 3 H MET 3 6.954 3.571 -2.053 11 HA MET 3 HA MET 3 8.649 2.409 -3.023 12 HB2 MET 3 1HB MET 3 7.846 4.122 -4.797 13 HB3 MET 3 2HB MET 3 9.414 4.893 -4.550 14 HG2 MET 3 1HG MET 3 10.552 2.806 -5.174 15 HG3 MET 3 2HG MET 3 8.988 1.983 -5.324 16 HE1 MET 3 1HE MET 3 9.984 2.209 -9.091 17 HE2 MET 3 2HE MET 3 11.021 1.818 -7.699 18 HE3 MET 3 3HE MET 3 9.368 1.163 -7.789 19 H LYS 4 H LYS 4 9.466 2.996 -0.577 20 HA LYS 4 HA LYS 4 12.322 3.818 -0.944 21 HB2 LYS 4 1HB LYS 4 10.605 3.974 1.567 22 HB3 LYS 4 2HB LYS 4 12.326 4.373 1.470 23 HG2 LYS 4 1HG LYS 4 10.077 5.834 0.041 24 HG3 LYS 4 2HG LYS 4 10.929 6.396 1.484 25 HD2 LYS 4 1HD LYS 4 13.047 6.479 0.202 26 HD3 LYS 4 2HD LYS 4 12.188 5.915 -1.247 27 HE2 LYS 4 1HE LYS 4 10.704 7.894 -1.118 28 HE3 LYS 4 2HE LYS 4 11.670 8.498 0.251 29 HZ1 LYS 4 1HZ LYS 4 13.605 8.495 -1.213 30 HZ2 LYS 4 2HZ LYS 4 12.410 9.438 -1.856 31 HZ3 LYS 4 3HZ LYS 4 12.698 7.932 -2.474 32 H TYR 5 H TYR 5 13.841 2.480 -0.227 33 HA TYR 5 HA TYR 5 14.878 0.579 0.301 34 HB2 TYR 5 1HB TYR 5 12.580 0.434 2.243 35 HB3 TYR 5 2HB TYR 5 13.899 -0.713 2.225 36 HD1 TYR 5 HD1 TYR 5 16.337 0.772 1.834 37 HD2 TYR 5 HD2 TYR 5 12.824 1.935 4.046 38 HE1 TYR 5 HE1 TYR 5 17.719 2.275 3.242 39 HE2 TYR 5 HE2 TYR 5 14.236 3.436 5.460 40 HH TYR 5 HH TYR 5 17.775 3.707 4.986 41 H LEU 6 H LEU 6 14.799 -1.819 0.528 42 HA LEU 6 HA LEU 6 13.627 -2.795 -1.944 43 HB2 LEU 6 1HB LEU 6 15.105 -4.263 0.264 44 HB3 LEU 6 2HB LEU 6 14.792 -4.876 -1.350 45 HG LEU 6 HG LEU 6 16.593 -2.525 -0.743 46 HD11 LEU 6 1HD1 LEU 6 17.453 -4.622 0.222 47 HD12 LEU 6 2HD1 LEU 6 18.437 -4.112 -1.166 48 HD13 LEU 6 3HD1 LEU 6 17.258 -5.436 -1.349 49 HD21 LEU 6 1HD2 LEU 6 16.171 -4.139 -3.285 50 HD22 LEU 6 2HD2 LEU 6 17.407 -2.878 -3.043 51 HD23 LEU 6 3HD2 LEU 6 15.685 -2.450 -3.017 52 H ASN 7 H ASN 7 12.946 -3.175 1.479 53 HA ASN 7 HA ASN 7 11.337 -4.265 2.668 54 HB2 ASN 7 1HB ASN 7 9.647 -3.829 0.181 55 HB3 ASN 7 2HB ASN 7 9.047 -4.146 1.815 56 HD21 ASN 7 1HD2 ASN 7 10.398 -0.826 2.872 57 HD22 ASN 7 2HD2 ASN 7 10.795 -2.477 3.282 58 H VAL 8 H VAL 8 13.031 -6.195 1.613 59 HA VAL 8 HA VAL 8 11.184 -8.320 0.628 60 HB VAL 8 HB VAL 8 12.898 -9.226 -0.586 61 HG11 VAL 8 1HG1 VAL 8 14.527 -7.663 -1.420 62 HG12 VAL 8 2HG1 VAL 8 13.015 -6.786 -1.133 63 HG13 VAL 8 3HG1 VAL 8 14.367 -6.642 0.029 64 HG21 VAL 8 1HG2 VAL 8 14.688 -8.626 1.765 65 HG22 VAL 8 2HG2 VAL 8 14.189 -10.195 1.119 66 HG23 VAL 8 3HG2 VAL 8 15.342 -9.191 0.223 67 H LEU 9 H LEU 9 11.533 -10.497 1.640 68 HA LEU 9 HA LEU 9 12.095 -10.158 4.555 69 HB2 LEU 9 1HB LEU 9 10.640 -12.370 3.073 70 HB3 LEU 9 2HB LEU 9 10.897 -12.301 4.812 71 HG LEU 9 HG LEU 9 9.227 -10.353 3.186 72 HD11 LEU 9 1HD1 LEU 9 8.429 -12.521 5.170 73 HD12 LEU 9 2HD1 LEU 9 8.237 -12.602 3.400 74 HD13 LEU 9 3HD1 LEU 9 7.328 -11.400 4.338 75 HD21 LEU 9 1HD2 LEU 9 8.464 -9.523 5.417 76 HD22 LEU 9 2HD2 LEU 9 10.175 -9.187 5.108 77 HD23 LEU 9 3HD2 LEU 9 9.716 -10.519 6.190 78 H ALA 10 H ALA 10 13.627 -11.383 5.591 79 HA ALA 10 HA ALA 10 15.134 -13.356 3.918 80 HB1 ALA 10 1HB ALA 10 17.243 -12.453 4.735 81 HB2 ALA 10 2HB ALA 10 16.324 -11.193 3.889 82 HB3 ALA 10 3HB ALA 10 16.375 -11.204 5.666 83 H LYS 11 H LYS 11 15.946 -15.120 5.059 84 HA LYS 11 HA LYS 11 14.959 -15.361 7.869 85 HB2 LYS 11 1HB LYS 11 14.088 -17.065 6.401 86 HB3 LYS 11 2HB LYS 11 15.692 -17.454 5.785 87 HG2 LYS 11 1HG LYS 11 16.342 -18.522 7.786 88 HG3 LYS 11 2HG LYS 11 15.055 -17.762 8.732 89 HD2 LYS 11 1HD LYS 11 14.449 -19.713 6.504 90 HD3 LYS 11 2HD LYS 11 14.818 -20.256 8.154 91 HE2 LYS 11 1HE LYS 11 12.899 -18.095 8.211 92 HE3 LYS 11 2HE LYS 11 12.322 -19.371 7.136 93 HZ1 LYS 11 1HZ LYS 11 12.776 -20.911 9.081 94 HZ2 LYS 11 2HZ LYS 11 11.524 -19.854 9.286 95 HZ3 LYS 11 3HZ LYS 11 12.965 -19.557 10.018 96 H ALA 12 H ALA 12 16.322 -15.742 9.506 97 HA ALA 12 HA ALA 12 19.201 -15.515 9.145 98 HB1 ALA 12 1HB ALA 12 19.193 -15.942 11.592 99 HB2 ALA 12 2HB ALA 12 18.066 -14.653 11.118 100 HB3 ALA 12 3HB ALA 12 17.448 -16.267 11.510 101 H LEU 13 H LEU 13 20.667 -17.126 8.793 102 HA LEU 13 HA LEU 13 19.725 -19.942 8.874 103 HB2 LEU 13 1HB LEU 13 22.392 -18.701 8.139 104 HB3 LEU 13 2HB LEU 13 22.038 -20.413 8.085 105 HG LEU 13 HG LEU 13 21.852 -19.974 5.932 106 HD11 LEU 13 1HD1 LEU 13 19.586 -20.705 6.640 107 HD12 LEU 13 2HD1 LEU 13 19.599 -19.770 5.139 108 HD13 LEU 13 3HD1 LEU 13 19.082 -18.995 6.646 109 HD21 LEU 13 1HD2 LEU 13 21.394 -17.915 4.880 110 HD22 LEU 13 2HD2 LEU 13 22.482 -17.608 6.236 111 HD23 LEU 13 3HD2 LEU 13 20.750 -17.228 6.388 112 H TYR 14 H TYR 14 21.417 -17.651 10.807 113 HA TYR 14 HA TYR 14 22.119 -19.780 12.760 114 HB2 TYR 14 1HB TYR 14 23.964 -17.506 11.925 115 HB3 TYR 14 2HB TYR 14 24.297 -18.753 13.132 116 HD1 TYR 14 HD1 TYR 14 24.805 -21.097 12.425 117 HD2 TYR 14 HD2 TYR 14 24.182 -17.965 9.539 118 HE1 TYR 14 HE1 TYR 14 25.847 -22.507 10.652 119 HE2 TYR 14 HE2 TYR 14 25.176 -19.406 7.763 120 HH TYR 14 HH TYR 14 26.454 -22.671 8.476 121 H ASP 15 H ASP 15 22.465 -18.811 14.927 122 HA ASP 15 HA ASP 15 20.686 -16.623 15.554 123 HB2 ASP 15 1HB ASP 15 22.977 -17.884 17.132 124 HB3 ASP 15 2HB ASP 15 21.765 -16.779 17.799 125 H ASN 16 H ASN 16 21.341 -14.490 16.268 126 HA ASN 16 HA ASN 16 24.177 -13.772 15.705 127 HB2 ASN 16 1HB ASN 16 22.688 -13.128 13.728 128 HB3 ASN 16 2HB ASN 16 21.890 -11.991 14.826 129 HD21 ASN 16 1HD2 ASN 16 24.333 -9.555 14.323 130 HD22 ASN 16 2HD2 ASN 16 22.655 -9.966 14.650 131 H VAL 17 H VAL 17 25.032 -12.465 17.179 132 HA VAL 17 HA VAL 17 23.211 -11.325 19.241 133 HB VAL 17 HB VAL 17 26.158 -12.125 19.463 134 HG11 VAL 17 1HG1 VAL 17 25.876 -11.602 21.879 135 HG12 VAL 17 2HG1 VAL 17 25.635 -10.165 20.866 136 HG13 VAL 17 3HG1 VAL 17 24.228 -11.015 21.556 137 HG21 VAL 17 1HG2 VAL 17 23.652 -13.395 20.666 138 HG22 VAL 17 2HG2 VAL 17 24.696 -14.105 19.414 139 HG23 VAL 17 3HG2 VAL 17 25.327 -13.858 21.055 140 H ALA 18 H ALA 18 23.113 -9.213 19.210 141 HA ALA 18 HA ALA 18 24.590 -7.694 17.249 142 HB1 ALA 18 1HB ALA 18 22.689 -6.863 19.474 143 HB2 ALA 18 2HB ALA 18 23.316 -5.783 18.212 144 HB3 ALA 18 3HB ALA 18 22.269 -7.148 17.766 145 H GLU 19 H GLU 19 26.527 -6.858 17.517 146 HA GLU 19 HA GLU 19 27.646 -6.633 20.301 147 HB2 GLU 19 1HB GLU 19 28.921 -6.888 17.555 148 HB3 GLU 19 2HB GLU 19 29.835 -6.655 19.058 149 HG2 GLU 19 1HG GLU 19 29.064 -8.742 19.933 150 HG3 GLU 19 2HG GLU 19 27.923 -8.960 18.617 151 H SER 20 H SER 20 26.576 -5.002 17.519 152 HA SER 20 HA SER 20 27.761 -2.400 18.431 153 HB2 SER 20 1HB SER 20 28.320 -2.897 16.117 154 HB3 SER 20 2HB SER 20 26.645 -3.346 15.758 155 HG SER 20 HG SER 20 27.297 -1.182 15.098 156 HA PRO 21 HA PRO 21 23.609 -1.459 19.658 157 HB2 PRO 21 1HB PRO 21 23.628 1.273 19.591 158 HB3 PRO 21 2HB PRO 21 24.525 0.337 20.834 159 HG2 PRO 21 1HG PRO 21 25.546 1.511 18.252 160 HG3 PRO 21 2HG PRO 21 26.218 1.664 19.905 161 HD2 PRO 21 1HD PRO 21 27.199 -0.108 18.172 162 HD3 PRO 21 2HD PRO 21 27.045 -0.491 19.921 163 H ASP 22 H ASP 22 24.921 -0.778 16.548 164 HA ASP 22 HA ASP 22 22.343 0.195 15.471 165 HB2 ASP 22 1HB ASP 22 25.097 0.515 14.777 166 HB3 ASP 22 2HB ASP 22 24.353 -0.410 13.483 167 H GLU 23 H GLU 23 23.641 -2.749 16.349 168 HA GLU 23 HA GLU 23 22.868 -4.130 13.838 169 HB2 GLU 23 1HB GLU 23 25.128 -4.441 14.869 170 HB3 GLU 23 2HB GLU 23 24.346 -5.169 16.271 171 HG2 GLU 23 1HG GLU 23 23.456 -6.960 14.817 172 HG3 GLU 23 2HG GLU 23 24.266 -6.222 13.431 173 H LEU 24 H LEU 24 21.505 -5.942 13.815 174 HA LEU 24 HA LEU 24 19.540 -5.995 16.049 175 HB2 LEU 24 1HB LEU 24 19.546 -7.184 13.272 176 HB3 LEU 24 2HB LEU 24 18.315 -7.553 14.472 177 HG LEU 24 HG LEU 24 18.905 -4.780 13.382 178 HD11 LEU 24 1HD1 LEU 24 18.004 -6.074 11.627 179 HD12 LEU 24 2HD1 LEU 24 16.649 -5.139 12.285 180 HD13 LEU 24 3HD1 LEU 24 16.827 -6.860 12.699 181 HD21 LEU 24 1HD2 LEU 24 16.737 -5.836 15.239 182 HD22 LEU 24 2HD2 LEU 24 16.695 -4.240 14.458 183 HD23 LEU 24 3HD2 LEU 24 17.994 -4.624 15.605 184 H SER 25 H SER 25 19.076 -7.729 17.241 185 HA SER 25 HA SER 25 20.923 -10.060 17.040 186 HB2 SER 25 1HB SER 25 20.016 -10.360 19.486 187 HB3 SER 25 2HB SER 25 21.276 -9.150 19.171 188 HG SER 25 HG SER 25 19.589 -8.267 20.413 189 H PHE 26 H PHE 26 20.028 -11.940 16.586 190 HA PHE 26 HA PHE 26 17.159 -12.416 17.019 191 HB2 PHE 26 1HB PHE 26 16.775 -13.031 14.632 192 HB3 PHE 26 2HB PHE 26 17.003 -11.319 14.924 193 HD1 PHE 26 HD1 PHE 26 18.956 -14.359 13.851 194 HD2 PHE 26 HD2 PHE 26 18.453 -10.092 13.634 195 HE1 PHE 26 HE1 PHE 26 20.654 -14.250 12.028 196 HE2 PHE 26 HE2 PHE 26 20.115 -9.983 11.829 197 HZ PHE 26 HZ PHE 26 21.197 -12.065 10.966 198 H ARG 27 H ARG 27 16.451 -14.549 16.177 199 HA ARG 27 HA ARG 27 18.503 -16.579 16.939 200 HB2 ARG 27 1HB ARG 27 16.156 -16.270 18.027 201 HB3 ARG 27 2HB ARG 27 15.494 -16.855 16.502 202 HG2 ARG 27 1HG ARG 27 15.497 -18.742 17.845 203 HG3 ARG 27 2HG ARG 27 16.970 -18.940 16.892 204 HD2 ARG 27 1HD ARG 27 18.204 -17.803 18.821 205 HD3 ARG 27 2HD ARG 27 16.718 -18.009 19.764 206 HE ARG 27 HE ARG 27 18.632 -20.065 18.903 207 HH11 ARG 27 1HH1 ARG 27 15.364 -19.520 20.151 208 HH12 ARG 27 2HH1 ARG 27 15.220 -21.150 20.756 209 HH21 ARG 27 1HH2 ARG 27 18.372 -22.118 19.703 210 HH22 ARG 27 2HH2 ARG 27 16.894 -22.599 20.494 211 H LYS 28 H LYS 28 18.750 -18.466 15.689 212 HA LYS 28 HA LYS 28 18.673 -18.288 12.839 213 HB2 LYS 28 1HB LYS 28 20.017 -19.971 14.012 214 HB3 LYS 28 2HB LYS 28 18.567 -20.666 14.742 215 HG2 LYS 28 1HG LYS 28 17.765 -21.386 12.551 216 HG3 LYS 28 2HG LYS 28 19.171 -20.653 11.776 217 HD2 LYS 28 1HD LYS 28 20.651 -22.155 13.032 218 HD3 LYS 28 2HD LYS 28 19.241 -22.879 13.835 219 HE2 LYS 28 1HE LYS 28 18.370 -23.553 11.584 220 HE3 LYS 28 2HE LYS 28 19.866 -22.918 10.857 221 HZ1 LYS 28 1HZ LYS 28 20.031 -25.287 11.248 222 HZ2 LYS 28 2HZ LYS 28 19.731 -25.092 12.862 223 HZ3 LYS 28 3HZ LYS 28 21.114 -24.485 12.194 224 H GLY 29 H GLY 29 17.062 -18.538 11.416 225 HA2 GLY 29 1HA GLY 29 15.064 -19.493 10.626 226 HA3 GLY 29 2HA GLY 29 14.584 -19.905 12.275 227 H ASP 30 H ASP 30 15.527 -16.814 12.717 228 HA ASP 30 HA ASP 30 12.807 -15.834 12.719 229 HB2 ASP 30 1HB ASP 30 15.522 -14.552 13.162 230 HB3 ASP 30 2HB ASP 30 14.041 -13.599 13.133 231 H ILE 31 H ILE 31 12.084 -13.910 11.611 232 HA ILE 31 HA ILE 31 13.256 -13.642 8.873 233 HB ILE 31 HB ILE 31 10.324 -13.352 9.702 234 HG12 ILE 31 1HG1 ILE 31 10.920 -15.706 9.637 235 HG13 ILE 31 2HG1 ILE 31 9.924 -15.298 8.247 236 HG21 ILE 31 1HG2 ILE 31 9.988 -13.183 7.163 237 HG22 ILE 31 2HG2 ILE 31 10.771 -11.786 7.925 238 HG23 ILE 31 3HG2 ILE 31 11.755 -12.966 7.027 239 HD11 ILE 31 1HD1 ILE 31 11.544 -16.704 7.379 240 HD12 ILE 31 2HD1 ILE 31 12.138 -15.098 6.931 241 HD13 ILE 31 3HD1 ILE 31 12.848 -15.950 8.324 242 H MET 32 H MET 32 13.891 -11.633 8.362 243 HA MET 32 HA MET 32 12.689 -9.358 9.886 244 HB2 MET 32 1HB MET 32 14.898 -8.231 9.790 245 HB3 MET 32 2HB MET 32 14.898 -9.683 10.774 246 HG2 MET 32 1HG MET 32 15.677 -10.729 8.381 247 HG3 MET 32 2HG MET 32 16.385 -9.115 8.309 248 HE1 MET 32 1HE MET 32 16.258 -12.619 10.014 249 HE2 MET 32 2HE MET 32 17.256 -12.418 11.472 250 HE3 MET 32 3HE MET 32 15.647 -11.675 11.394 251 H THR 33 H THR 33 12.644 -7.398 8.743 252 HA THR 33 HA THR 33 12.208 -7.852 5.837 253 HB THR 33 HB THR 33 11.707 -5.415 7.611 254 HG1 THR 33 HG1 THR 33 9.570 -6.116 7.514 255 HG21 THR 33 1HG2 THR 33 10.242 -4.706 5.704 256 HG22 THR 33 2HG2 THR 33 10.943 -6.024 4.733 257 HG23 THR 33 3HG2 THR 33 11.977 -4.695 5.328 258 H VAL 34 H VAL 34 13.941 -7.581 4.514 259 HA VAL 34 HA VAL 34 16.219 -5.961 5.376 260 HB VAL 34 HB VAL 34 15.701 -7.194 2.668 261 HG11 VAL 34 1HG1 VAL 34 17.422 -5.477 2.556 262 HG12 VAL 34 2HG1 VAL 34 18.243 -6.153 3.984 263 HG13 VAL 34 3HG1 VAL 34 18.191 -7.071 2.459 264 HG21 VAL 34 1HG2 VAL 34 15.670 -8.955 4.298 265 HG22 VAL 34 2HG2 VAL 34 17.252 -8.981 3.506 266 HG23 VAL 34 3HG2 VAL 34 17.095 -8.285 5.125 267 H LEU 35 H LEU 35 16.456 -3.899 5.062 268 HA LEU 35 HA LEU 35 14.491 -2.494 3.349 269 HB2 LEU 35 1HB LEU 35 16.485 -1.545 5.421 270 HB3 LEU 35 2HB LEU 35 15.348 -0.507 4.576 271 HG LEU 35 HG LEU 35 14.543 -2.820 6.374 272 HD11 LEU 35 1HD1 LEU 35 14.757 0.143 6.866 273 HD12 LEU 35 2HD1 LEU 35 15.655 -1.176 7.658 274 HD13 LEU 35 3HD1 LEU 35 13.910 -1.004 7.930 275 HD21 LEU 35 1HD2 LEU 35 12.920 -0.568 5.122 276 HD22 LEU 35 2HD2 LEU 35 12.313 -1.721 6.334 277 HD23 LEU 35 3HD2 LEU 35 12.808 -2.302 4.735 278 H GLU 36 H GLU 36 18.045 -2.675 3.983 279 HA GLU 36 HA GLU 36 18.414 -2.441 1.083 280 HB2 GLU 36 1HB GLU 36 19.714 -0.526 0.991 281 HB3 GLU 36 2HB GLU 36 18.356 -0.074 1.997 282 HG2 GLU 36 1HG GLU 36 19.801 -0.457 3.948 283 HG3 GLU 36 2HG GLU 36 21.149 -0.579 2.816 284 H ARG 37 H ARG 37 20.910 -2.549 0.630 285 HA ARG 37 HA ARG 37 22.128 -4.398 2.648 286 HB2 ARG 37 1HB ARG 37 22.329 -4.517 -0.375 287 HB3 ARG 37 2HB ARG 37 23.148 -5.589 0.764 288 HG2 ARG 37 1HG ARG 37 20.854 -6.368 1.524 289 HG3 ARG 37 2HG ARG 37 20.188 -5.449 0.158 290 HD2 ARG 37 1HD ARG 37 22.088 -7.800 0.089 291 HD3 ARG 37 2HD ARG 37 20.478 -7.693 -0.638 292 HE ARG 37 HE ARG 37 23.024 -6.575 -1.655 293 HH11 ARG 37 1HH1 ARG 37 19.511 -6.636 -2.076 294 HH12 ARG 37 2HH1 ARG 37 19.605 -5.992 -3.693 295 HH21 ARG 37 1HH2 ARG 37 23.061 -5.759 -3.699 296 HH22 ARG 37 2HH2 ARG 37 21.590 -5.505 -4.596 297 H ASP 38 H ASP 38 24.372 -4.176 2.804 298 HA ASP 38 HA ASP 38 26.349 -3.106 2.816 299 HB2 ASP 38 1HB ASP 38 25.671 -2.307 -0.023 300 HB3 ASP 38 2HB ASP 38 27.281 -2.556 0.676 301 H THR 39 H THR 39 24.174 -1.918 3.899 302 HA THR 39 HA THR 39 23.666 0.799 3.209 303 HB THR 39 HB THR 39 22.117 -0.489 4.582 304 HG1 THR 39 HG1 THR 39 21.855 1.583 5.101 305 HG21 THR 39 1HG2 THR 39 22.636 -0.991 6.926 306 HG22 THR 39 2HG2 THR 39 24.346 -0.659 6.584 307 HG23 THR 39 3HG2 THR 39 23.498 -1.983 5.743 308 H GLN 40 H GLN 40 24.417 2.714 4.131 309 HA GLN 40 HA GLN 40 25.971 4.181 4.886 310 HB2 GLN 40 1HB GLN 40 26.828 2.204 6.979 311 HB3 GLN 40 2HB GLN 40 26.802 3.958 7.062 312 HG2 GLN 40 1HG GLN 40 24.263 3.751 6.868 313 HG3 GLN 40 2HG GLN 40 24.475 2.030 7.161 314 HE21 GLN 40 1HE2 GLN 40 24.352 2.491 10.603 315 HE22 GLN 40 2HE2 GLN 40 23.926 1.567 9.181 316 H GLY 41 H GLY 41 26.849 1.738 3.099 317 HA2 GLY 41 1HA GLY 41 28.816 1.458 1.868 318 HA3 GLY 41 2HA GLY 41 29.660 2.580 2.956 319 H LEU 42 H LEU 42 27.825 0.196 4.615 320 HA LEU 42 HA LEU 42 30.312 -1.117 5.479 321 HB2 LEU 42 1HB LEU 42 27.434 -1.471 6.329 322 HB3 LEU 42 2HB LEU 42 28.837 -2.150 7.133 323 HG LEU 42 HG LEU 42 28.358 0.821 6.889 324 HD11 LEU 42 1HD1 LEU 42 26.479 -0.215 8.017 325 HD12 LEU 42 2HD1 LEU 42 27.479 0.670 9.186 326 HD13 LEU 42 3HD1 LEU 42 27.582 -1.108 9.096 327 HD21 LEU 42 1HD2 LEU 42 29.861 0.914 8.837 328 HD22 LEU 42 2HD2 LEU 42 30.659 0.187 7.427 329 HD23 LEU 42 3HD2 LEU 42 30.076 -0.846 8.756 330 H ASP 43 H ASP 43 30.853 -2.297 3.600 331 HA ASP 43 HA ASP 43 29.058 -3.861 2.069 332 HB2 ASP 43 1HB ASP 43 32.023 -3.989 2.589 333 HB3 ASP 43 2HB ASP 43 31.230 -5.332 1.749 334 H GLY 44 H GLY 44 28.003 -5.692 2.352 335 HA2 GLY 44 1HA GLY 44 27.708 -7.888 3.142 336 HA3 GLY 44 2HA GLY 44 29.042 -7.676 4.280 337 H TRP 45 H TRP 45 27.510 -4.969 5.043 338 HA TRP 45 HA TRP 45 25.823 -6.300 7.084 339 HB2 TRP 45 1HB TRP 45 26.958 -3.547 6.627 340 HB3 TRP 45 2HB TRP 45 25.715 -3.803 7.813 341 HD1 TRP 45 HD1 TRP 45 29.408 -3.922 7.442 342 HE1 TRP 45 HE1 TRP 45 30.555 -4.865 9.503 343 HE3 TRP 45 HE3 TRP 45 25.265 -5.891 9.639 344 HZ2 TRP 45 HZ2 TRP 45 29.738 -6.365 11.825 345 HZ3 TRP 45 HZ3 TRP 45 25.493 -7.065 11.816 346 HH2 TRP 45 HH2 TRP 45 27.698 -7.307 12.889 347 H TRP 46 H TRP 46 23.644 -6.347 6.867 348 HA TRP 46 HA TRP 46 22.470 -4.667 4.677 349 HB2 TRP 46 1HB TRP 46 21.619 -7.378 5.755 350 HB3 TRP 46 2HB TRP 46 20.747 -6.456 4.523 351 HD1 TRP 46 HD1 TRP 46 24.159 -5.866 3.506 352 HE1 TRP 46 HE1 TRP 46 25.047 -7.469 1.765 353 HE3 TRP 46 HE3 TRP 46 20.612 -9.514 4.078 354 HZ2 TRP 46 HZ2 TRP 46 24.312 -10.044 0.734 355 HZ3 TRP 46 HZ3 TRP 46 20.802 -11.583 2.700 356 HH2 TRP 46 HH2 TRP 46 22.602 -11.824 1.015 357 H LEU 47 H LEU 47 20.977 -3.211 5.226 358 HA LEU 47 HA LEU 47 20.251 -2.857 8.030 359 HB2 LEU 47 1HB LEU 47 20.555 -0.956 6.456 360 HB3 LEU 47 2HB LEU 47 19.236 -1.573 5.471 361 HG LEU 47 HG LEU 47 17.658 -1.123 7.273 362 HD11 LEU 47 1HD1 LEU 47 19.000 -1.392 9.241 363 HD12 LEU 47 2HD1 LEU 47 18.365 0.259 9.217 364 HD13 LEU 47 3HD1 LEU 47 20.058 -0.042 8.763 365 HD21 LEU 47 1HD2 LEU 47 19.420 1.254 6.587 366 HD22 LEU 47 2HD2 LEU 47 17.729 1.333 7.137 367 HD23 LEU 47 3HD2 LEU 47 18.118 0.590 5.572 368 H CYS 48 H CYS 48 18.633 -3.896 9.021 369 HA CYS 48 HA CYS 48 16.268 -4.637 7.370 370 HB2 CYS 48 1HB CYS 48 17.474 -6.478 9.458 371 HB3 CYS 48 2HB CYS 48 16.157 -6.825 8.343 372 HG CYS 48 HG CYS 48 19.352 -6.283 7.676 373 H SER 49 H SER 49 14.450 -5.348 8.772 374 HA SER 49 HA SER 49 14.443 -3.828 11.339 375 HB2 SER 49 1HB SER 49 12.702 -2.605 10.685 376 HB3 SER 49 2HB SER 49 13.096 -3.094 9.045 377 HG SER 49 HG SER 49 10.890 -3.469 9.632 378 H LEU 50 H LEU 50 13.779 -4.911 13.022 379 HA LEU 50 HA LEU 50 12.212 -7.412 12.820 380 HB2 LEU 50 1HB LEU 50 14.588 -8.060 12.398 381 HB3 LEU 50 2HB LEU 50 15.051 -7.241 13.880 382 HG LEU 50 HG LEU 50 13.170 -9.042 14.778 383 HD11 LEU 50 1HD1 LEU 50 14.896 -10.495 12.818 384 HD12 LEU 50 2HD1 LEU 50 13.198 -10.066 12.503 385 HD13 LEU 50 3HD1 LEU 50 13.614 -11.152 13.855 386 HD21 LEU 50 1HD2 LEU 50 15.273 -8.443 15.828 387 HD22 LEU 50 2HD2 LEU 50 16.174 -9.280 14.543 388 HD23 LEU 50 3HD2 LEU 50 15.152 -10.204 15.670 389 H HIS 51 H HIS 51 11.113 -7.716 14.758 390 HA HIS 51 HA HIS 51 10.205 -7.210 16.802 391 HB2 HIS 51 1HB HIS 51 13.060 -6.465 17.545 392 HB3 HIS 51 2HB HIS 51 11.744 -6.779 18.675 393 HD1 HIS 51 HD1 HIS 51 14.426 -8.474 18.611 394 HD2 HIS 51 HD2 HIS 51 10.817 -9.552 16.829 395 HE1 HIS 51 HE1 HIS 51 14.438 -10.991 18.378 396 H GLY 52 H GLY 52 10.313 -5.020 14.782 397 HA2 GLY 52 1HA GLY 52 9.555 -2.834 14.759 398 HA3 GLY 52 2HA GLY 52 9.425 -2.897 16.522 399 H ARG 53 H ARG 53 12.550 -3.728 15.267 400 HA ARG 53 HA ARG 53 13.557 -0.977 15.843 401 HB2 ARG 53 1HB ARG 53 14.029 -2.873 17.560 402 HB3 ARG 53 2HB ARG 53 15.115 -3.491 16.323 403 HG2 ARG 53 1HG ARG 53 15.643 -0.692 16.585 404 HG3 ARG 53 2HG ARG 53 15.554 -1.381 18.222 405 HD2 ARG 53 1HD ARG 53 17.028 -3.199 17.463 406 HD3 ARG 53 2HD ARG 53 17.200 -2.406 15.906 407 HE ARG 53 HE ARG 53 18.707 -0.917 16.800 408 HH11 ARG 53 1HH1 ARG 53 17.125 -2.570 19.498 409 HH12 ARG 53 2HH1 ARG 53 18.260 -1.942 20.659 410 HH21 ARG 53 1HH2 ARG 53 20.146 -0.202 18.348 411 HH22 ARG 53 2HH2 ARG 53 19.901 -0.606 20.025 412 H GLN 54 H GLN 54 15.385 -0.432 14.539 413 HA GLN 54 HA GLN 54 15.666 -2.108 12.084 414 HB2 GLN 54 1HB GLN 54 15.127 0.710 12.491 415 HB3 GLN 54 2HB GLN 54 16.661 0.496 11.638 416 HG2 GLN 54 1HG GLN 54 15.560 -0.821 9.945 417 HG3 GLN 54 2HG GLN 54 14.037 -0.763 10.847 418 HE21 GLN 54 1HE2 GLN 54 15.300 2.785 9.180 419 HE22 GLN 54 2HE2 GLN 54 16.466 1.725 9.936 420 H GLY 55 H GLY 55 17.786 -2.488 11.362 421 HA2 GLY 55 1HA GLY 55 20.071 -1.208 12.455 422 HA3 GLY 55 2HA GLY 55 19.757 -2.674 13.395 423 H ILE 56 H ILE 56 22.113 -2.515 12.108 424 HA ILE 56 HA ILE 56 21.895 -3.719 9.437 425 HB ILE 56 HB ILE 56 24.361 -3.721 9.443 426 HG12 ILE 56 1HG1 ILE 56 24.073 -2.860 12.365 427 HG13 ILE 56 2HG1 ILE 56 24.680 -4.412 11.810 428 HG21 ILE 56 1HG2 ILE 56 23.483 -1.102 10.775 429 HG22 ILE 56 2HG2 ILE 56 24.682 -1.358 9.482 430 HG23 ILE 56 3HG2 ILE 56 22.957 -1.560 9.130 431 HD11 ILE 56 1HD1 ILE 56 25.971 -1.691 11.582 432 HD12 ILE 56 2HD1 ILE 56 26.565 -3.147 12.407 433 HD13 ILE 56 3HD1 ILE 56 26.524 -3.092 10.633 434 H VAL 57 H VAL 57 22.828 -5.745 8.898 435 HA VAL 57 HA VAL 57 22.939 -7.785 11.077 436 HB VAL 57 HB VAL 57 21.287 -7.959 8.546 437 HG11 VAL 57 1HG1 VAL 57 21.818 -10.031 10.597 438 HG12 VAL 57 2HG1 VAL 57 20.500 -10.131 9.420 439 HG13 VAL 57 3HG1 VAL 57 22.184 -10.092 8.861 440 HG21 VAL 57 1HG2 VAL 57 20.467 -7.811 11.441 441 HG22 VAL 57 2HG2 VAL 57 20.115 -6.623 10.170 442 HG23 VAL 57 3HG2 VAL 57 19.347 -8.223 10.117 443 HA PRO 58 HA PRO 58 26.286 -8.957 8.321 444 HB2 PRO 58 1HB PRO 58 26.873 -11.445 9.299 445 HB3 PRO 58 2HB PRO 58 27.300 -9.940 10.168 446 HG2 PRO 58 1HG PRO 58 24.961 -11.761 10.592 447 HG3 PRO 58 2HG PRO 58 26.088 -11.060 11.794 448 HD2 PRO 58 1HD PRO 58 23.634 -10.001 11.255 449 HD3 PRO 58 2HD PRO 58 25.027 -8.998 11.734 450 H GLY 59 H GLY 59 25.542 -9.243 6.281 451 HA2 GLY 59 1HA GLY 59 23.305 -10.792 5.567 452 HA3 GLY 59 2HA GLY 59 24.549 -10.200 4.462 453 H ASN 60 H ASN 60 26.622 -11.859 6.001 454 HA ASN 60 HA ASN 60 26.258 -14.235 4.366 455 HB2 ASN 60 1HB ASN 60 28.436 -14.893 5.091 456 HB3 ASN 60 2HB ASN 60 28.473 -13.158 4.757 457 HD21 ASN 60 1HD2 ASN 60 30.219 -13.998 7.976 458 HD22 ASN 60 2HD2 ASN 60 30.275 -14.699 6.371 459 H ARG 61 H ARG 61 24.951 -13.421 7.342 460 HA ARG 61 HA ARG 61 24.675 -16.335 8.049 461 HB2 ARG 61 1HB ARG 61 24.232 -13.859 9.766 462 HB3 ARG 61 2HB ARG 61 23.917 -15.517 10.276 463 HG2 ARG 61 1HG ARG 61 26.313 -16.053 10.031 464 HG3 ARG 61 2HG ARG 61 26.639 -14.367 9.572 465 HD2 ARG 61 1HD ARG 61 25.800 -13.588 11.734 466 HD3 ARG 61 2HD ARG 61 25.353 -15.241 12.185 467 HE ARG 61 HE ARG 61 28.119 -15.230 11.545 468 HH11 ARG 61 1HH1 ARG 61 26.026 -13.866 14.063 469 HH12 ARG 61 2HH1 ARG 61 27.290 -13.956 15.262 470 HH21 ARG 61 1HH2 ARG 61 29.641 -15.292 13.107 471 HH22 ARG 61 2HH2 ARG 61 29.304 -14.722 14.732 472 H LEU 62 H LEU 62 23.290 -14.152 6.156 473 HA LEU 62 HA LEU 62 20.512 -14.773 7.048 474 HB2 LEU 62 1HB LEU 62 21.580 -12.333 7.159 475 HB3 LEU 62 2HB LEU 62 21.184 -12.335 5.442 476 HG LEU 62 HG LEU 62 18.837 -12.790 6.015 477 HD11 LEU 62 1HD1 LEU 62 19.049 -13.833 8.133 478 HD12 LEU 62 2HD1 LEU 62 18.016 -12.413 8.241 479 HD13 LEU 62 3HD1 LEU 62 19.689 -12.339 8.845 480 HD21 LEU 62 1HD2 LEU 62 20.116 -10.329 7.207 481 HD22 LEU 62 2HD2 LEU 62 18.375 -10.498 6.910 482 HD23 LEU 62 3HD2 LEU 62 19.513 -10.543 5.549 483 H LYS 63 H LYS 63 18.965 -15.209 5.500 484 HA LYS 63 HA LYS 63 20.023 -15.541 2.715 485 HB2 LYS 63 1HB LYS 63 19.712 -17.730 3.728 486 HB3 LYS 63 2HB LYS 63 18.083 -17.304 4.252 487 HG2 LYS 63 1HG LYS 63 17.349 -17.158 1.911 488 HG3 LYS 63 2HG LYS 63 18.985 -17.545 1.355 489 HD2 LYS 63 1HD LYS 63 17.381 -19.364 3.180 490 HD3 LYS 63 2HD LYS 63 17.292 -19.460 1.413 491 HE2 LYS 63 1HE LYS 63 19.834 -19.757 3.043 492 HE3 LYS 63 2HE LYS 63 18.874 -21.098 2.396 493 HZ1 LYS 63 1HZ LYS 63 20.200 -19.008 0.759 494 HZ2 LYS 63 2HZ LYS 63 19.335 -20.284 0.168 495 HZ3 LYS 63 3HZ LYS 63 20.755 -20.550 0.967 496 H ILE 64 H ILE 64 19.097 -14.267 1.344 497 HA ILE 64 HA ILE 64 16.645 -12.867 1.938 498 HB ILE 64 HB ILE 64 18.116 -13.235 -0.714 499 HG12 ILE 64 1HG1 ILE 64 19.608 -12.237 0.913 500 HG13 ILE 64 2HG1 ILE 64 19.108 -11.032 -0.264 501 HG21 ILE 64 1HG2 ILE 64 15.900 -12.440 -1.157 502 HG22 ILE 64 2HG2 ILE 64 15.975 -11.302 0.193 503 HG23 ILE 64 3HG2 ILE 64 16.978 -11.030 -1.248 504 HD11 ILE 64 1HD1 ILE 64 17.364 -10.255 1.504 505 HD12 ILE 64 2HD1 ILE 64 18.287 -11.255 2.656 506 HD13 ILE 64 3HD1 ILE 64 19.067 -9.900 1.815 507 H LEU 65 H LEU 65 14.608 -13.554 1.666 508 HA LEU 65 HA LEU 65 14.212 -16.169 0.324 509 HB2 LEU 65 1HB LEU 65 12.296 -14.473 1.959 510 HB3 LEU 65 2HB LEU 65 12.008 -16.117 1.390 511 HG LEU 65 HG LEU 65 14.100 -15.271 3.429 512 HD11 LEU 65 1HD1 LEU 65 12.621 -16.443 5.013 513 HD12 LEU 65 2HD1 LEU 65 11.448 -16.728 3.711 514 HD13 LEU 65 3HD1 LEU 65 11.814 -15.069 4.248 515 HD21 LEU 65 1HD2 LEU 65 13.345 -18.037 2.391 516 HD22 LEU 65 2HD2 LEU 65 14.341 -17.739 3.833 517 HD23 LEU 65 3HD2 LEU 65 14.923 -17.224 2.241 518 H VAL 66 H VAL 66 14.662 -15.128 -1.773 519 HA VAL 66 HA VAL 66 12.961 -13.109 -2.866 520 HB VAL 66 HB VAL 66 14.364 -15.341 -4.424 521 HG11 VAL 66 1HG1 VAL 66 12.851 -13.929 -5.789 522 HG12 VAL 66 2HG1 VAL 66 13.667 -12.469 -5.195 523 HG13 VAL 66 3HG1 VAL 66 14.545 -13.634 -6.218 524 HG21 VAL 66 1HG2 VAL 66 16.030 -14.353 -2.928 525 HG22 VAL 66 2HG2 VAL 66 16.317 -13.780 -4.578 526 HG23 VAL 66 3HG2 VAL 66 15.522 -12.712 -3.402 527 H GLY 67 H GLY 67 12.544 -16.556 -2.396 528 HA2 GLY 67 1HA GLY 67 10.502 -17.715 -2.494 529 HA3 GLY 67 2HA GLY 67 9.774 -16.347 -3.351 530 H MET 68 H MET 68 11.995 -16.233 -5.270 531 HA MET 68 HA MET 68 10.981 -18.009 -7.296 532 HB2 MET 68 1HB MET 68 12.108 -15.606 -7.279 533 HB3 MET 68 2HB MET 68 13.594 -16.524 -7.497 534 HG2 MET 68 1HG MET 68 12.558 -17.574 -9.536 535 HG3 MET 68 2HG MET 68 11.169 -16.487 -9.324 536 HE1 MET 68 1HE MET 68 12.782 -12.922 -9.886 537 HE2 MET 68 2HE MET 68 11.307 -13.832 -9.486 538 HE3 MET 68 3HE MET 68 12.631 -13.710 -8.299 539 H TYR 69 H TYR 69 12.160 -19.477 -5.008 540 HA TYR 69 HA TYR 69 14.236 -21.023 -6.477 541 HB2 TYR 69 1HB TYR 69 14.499 -19.868 -3.672 542 HB3 TYR 69 2HB TYR 69 15.513 -21.176 -4.293 543 HD1 TYR 69 HD1 TYR 69 14.663 -17.548 -4.751 544 HD2 TYR 69 HD2 TYR 69 17.344 -20.751 -5.803 545 HE1 TYR 69 HE1 TYR 69 16.240 -15.911 -5.773 546 HE2 TYR 69 HE2 TYR 69 18.907 -19.098 -6.820 547 HH TYR 69 HH TYR 69 19.270 -16.893 -7.346 548 H ASP 70 H ASP 70 13.746 -23.117 -6.415 549 HA ASP 70 HA ASP 70 11.564 -24.124 -4.845 550 HB2 ASP 70 1HB ASP 70 13.779 -25.543 -6.358 551 HB3 ASP 70 2HB ASP 70 12.306 -26.319 -5.745 552 H LYS 71 H LYS 71 15.028 -24.001 -4.379 553 HA LYS 71 HA LYS 71 15.121 -26.039 -2.315 554 HB2 LYS 71 1HB LYS 71 16.971 -25.334 -3.919 555 HB3 LYS 71 2HB LYS 71 17.237 -23.940 -2.868 556 HG2 LYS 71 1HG LYS 71 17.738 -25.437 -0.975 557 HG3 LYS 71 2HG LYS 71 17.363 -26.855 -1.964 558 HD2 LYS 71 1HD LYS 71 19.578 -24.885 -2.651 559 HD3 LYS 71 2HD LYS 71 19.829 -26.331 -1.654 560 HE2 LYS 71 1HE LYS 71 18.944 -27.739 -3.541 561 HE3 LYS 71 2HE LYS 71 18.875 -26.280 -4.551 562 HZ1 LYS 71 1HZ LYS 71 20.921 -27.521 -4.913 563 HZ2 LYS 71 2HZ LYS 71 21.333 -27.403 -3.321 564 HZ3 LYS 71 3HZ LYS 71 21.277 -26.049 -4.261 565 H LYS 72 H LYS 72 13.179 -24.772 -1.353 566 HA LYS 72 HA LYS 72 13.874 -22.570 0.459 567 HB2 LYS 72 1HB LYS 72 11.445 -24.380 0.186 568 HB3 LYS 72 2HB LYS 72 11.534 -23.032 1.324 569 HG2 LYS 72 1HG LYS 72 11.615 -21.416 -0.407 570 HG3 LYS 72 2HG LYS 72 11.971 -22.626 -1.638 571 HD2 LYS 72 1HD LYS 72 9.344 -22.683 -0.143 572 HD3 LYS 72 2HD LYS 72 9.597 -21.629 -1.549 573 HE2 LYS 72 1HE LYS 72 10.333 -23.660 -2.864 574 HE3 LYS 72 2HE LYS 72 9.821 -24.667 -1.496 575 HZ1 LYS 72 1HZ LYS 72 7.571 -23.769 -1.784 576 HZ2 LYS 72 2HZ LYS 72 8.088 -24.492 -3.173 577 HZ3 LYS 72 3HZ LYS 72 8.067 -22.850 -3.062 578 HA PRO 73 HA PRO 73 15.466 -25.280 3.487 579 HB2 PRO 73 1HB PRO 73 15.053 -23.960 5.847 580 HB3 PRO 73 2HB PRO 73 16.224 -23.396 4.611 581 HG2 PRO 73 1HG PRO 73 13.393 -22.490 5.076 582 HG3 PRO 73 2HG PRO 73 14.882 -21.506 4.900 583 HD2 PRO 73 1HD PRO 73 13.199 -21.923 2.824 584 HD3 PRO 73 2HD PRO 73 14.975 -21.866 2.577 585 H ALA 74 H ALA 74 12.089 -24.441 3.593 586 HA ALA 74 HA ALA 74 11.272 -26.115 5.755 587 HB1 ALA 74 1HB ALA 74 9.038 -25.983 4.700 588 HB2 ALA 74 2HB ALA 74 9.813 -24.384 4.746 589 HB3 ALA 74 3HB ALA 74 9.761 -25.309 3.222 590 H GLY 75 H GLY 75 12.325 -26.838 2.482 591 HA2 GLY 75 1HA GLY 75 11.053 -29.466 2.433 592 HA3 GLY 75 2HA GLY 75 12.186 -28.804 1.247 593 H SER 76 H SER 76 13.666 -28.308 4.171 594 HA SER 76 HA SER 76 15.398 -30.657 3.749 595 HB2 SER 76 1HB SER 76 16.273 -28.326 4.197 596 HB3 SER 76 2HB SER 76 15.611 -28.459 5.840 597 HG SER 76 HG SER 76 16.903 -30.466 5.956 598 H GLY 77 H GLY 77 12.630 -29.876 5.589 599 HA2 GLY 77 1HA GLY 77 11.542 -31.091 7.232 600 HA3 GLY 77 2HA GLY 77 12.784 -32.347 7.072 601 H GLY 78 H GLY 78 12.790 -32.595 9.369 602 HA2 GLY 78 1HA GLY 78 14.611 -30.634 10.650 603 HA3 GLY 78 2HA GLY 78 13.115 -31.108 11.507 604 H SER 79 H SER 79 15.983 -31.712 12.200 605 HA SER 79 HA SER 79 15.702 -34.604 12.571 606 HB2 SER 79 1HB SER 79 16.680 -34.328 10.242 607 HB3 SER 79 2HB SER 79 18.061 -33.498 10.986 608 HG SER 79 HG SER 79 18.313 -35.813 10.609 609 H GLY 80 H GLY 80 17.726 -35.366 13.795 610 HA2 GLY 80 1HA GLY 80 19.722 -34.528 15.040 611 HA3 GLY 80 2HA GLY 80 18.726 -33.151 15.546 612 H SER 81 H SER 81 20.094 -35.133 17.219 613 HA SER 81 HA SER 81 17.807 -35.872 18.907 614 HB2 SER 81 1HB SER 81 18.557 -37.771 17.101 615 HB3 SER 81 2HB SER 81 19.663 -38.156 18.434 616 HG SER 81 HG SER 81 16.827 -37.950 18.532 617 H GLY 82 H GLY 82 20.113 -34.051 18.968 618 HA2 GLY 82 1HA GLY 82 21.114 -34.661 21.593 619 HA3 GLY 82 2HA GLY 82 22.356 -34.948 20.343 620 H LEU 83 H LEU 83 23.173 -32.957 21.809 621 HA LEU 83 HA LEU 83 21.939 -30.416 21.405 622 HB2 LEU 83 1HB LEU 83 24.855 -31.091 21.948 623 HB3 LEU 83 2HB LEU 83 24.139 -29.490 22.105 624 HG LEU 83 HG LEU 83 23.343 -31.904 23.774 625 HD11 LEU 83 1HD1 LEU 83 25.141 -29.542 24.448 626 HD12 LEU 83 2HD1 LEU 83 25.669 -31.222 24.193 627 HD13 LEU 83 3HD1 LEU 83 24.628 -30.822 25.576 628 HD21 LEU 83 1HD2 LEU 83 22.669 -28.942 24.039 629 HD22 LEU 83 2HD2 LEU 83 22.276 -30.199 25.236 630 HD23 LEU 83 3HD2 LEU 83 21.536 -30.251 23.624 631 H THR 84 H THR 84 24.598 -32.054 19.718 632 HA THR 84 HA THR 84 25.557 -31.793 17.677 633 HB THR 84 HB THR 84 23.436 -29.986 16.560 634 HG1 THR 84 HG1 THR 84 22.198 -31.305 17.899 635 HG21 THR 84 1HG2 THR 84 24.707 -32.625 15.686 636 HG22 THR 84 2HG2 THR 84 25.061 -31.002 15.033 637 HG23 THR 84 3HG2 THR 84 23.472 -31.740 14.762 638 H ASP 85 H ASP 85 26.379 -30.056 16.044 639 HA ASP 85 HA ASP 85 26.898 -27.489 17.477 640 HB2 ASP 85 1HB ASP 85 28.858 -29.379 16.135 641 HB3 ASP 85 2HB ASP 85 29.210 -27.657 16.360 642 H GLU 86 H GLU 86 26.821 -25.714 16.197 643 HA GLU 86 HA GLU 86 27.030 -25.985 13.276 644 HB2 GLU 86 1HB GLU 86 24.601 -26.339 13.790 645 HB3 GLU 86 2HB GLU 86 24.568 -24.748 14.556 646 HG2 GLU 86 1HG GLU 86 25.250 -23.728 12.391 647 HG3 GLU 86 2HG GLU 86 25.212 -25.336 11.645 648 H LEU 87 H LEU 87 28.901 -24.750 13.470 649 HA LEU 87 HA LEU 87 28.812 -22.270 15.027 650 HB2 LEU 87 1HB LEU 87 30.992 -23.460 13.280 651 HB3 LEU 87 2HB LEU 87 31.170 -22.035 14.304 652 HG LEU 87 HG LEU 87 30.568 -24.846 15.304 653 HD11 LEU 87 1HD1 LEU 87 32.886 -24.818 16.116 654 HD12 LEU 87 2HD1 LEU 87 33.135 -23.211 15.388 655 HD13 LEU 87 3HD1 LEU 87 32.830 -24.627 14.351 656 HD21 LEU 87 1HD2 LEU 87 31.204 -22.276 16.822 657 HD22 LEU 87 2HD2 LEU 87 31.128 -23.901 17.543 658 HD23 LEU 87 3HD2 LEU 87 29.669 -23.179 16.851 659 H ALA 88 H ALA 88 28.419 -20.319 14.305 660 HA ALA 88 HA ALA 88 27.568 -19.946 11.565 661 HB1 ALA 88 1HB ALA 88 26.520 -18.838 13.576 662 HB2 ALA 88 2HB ALA 88 28.001 -17.870 13.760 663 HB3 ALA 88 3HB ALA 88 26.995 -17.697 12.301 664 HA PRO 89 HA PRO 89 31.483 -18.466 10.092 665 HB2 PRO 89 1HB PRO 89 30.778 -16.765 8.071 666 HB3 PRO 89 2HB PRO 89 30.618 -18.542 7.934 667 HG2 PRO 89 1HG PRO 89 28.529 -16.497 8.677 668 HG3 PRO 89 2HG PRO 89 28.432 -17.802 7.452 669 HD2 PRO 89 1HD PRO 89 27.391 -18.093 9.928 670 HD3 PRO 89 2HD PRO 89 28.185 -19.466 9.079 671 HA PRO 90 HA PRO 90 32.027 -14.715 12.260 672 HB2 PRO 90 1HB PRO 90 34.158 -13.471 11.081 673 HB3 PRO 90 2HB PRO 90 34.327 -14.995 12.013 674 HG2 PRO 90 1HG PRO 90 34.096 -14.609 9.041 675 HG3 PRO 90 2HG PRO 90 35.281 -15.588 9.966 676 HD2 PRO 90 1HD PRO 90 33.076 -16.678 8.812 677 HD3 PRO 90 2HD PRO 90 33.713 -17.294 10.368 678 H LYS 91 H LYS 91 31.476 -12.494 12.274 679 HA LYS 91 HA LYS 91 29.900 -11.632 9.958 680 HB2 LYS 91 1HB LYS 91 29.288 -9.736 11.423 681 HB3 LYS 91 2HB LYS 91 29.005 -11.292 12.204 682 HG2 LYS 91 1HG LYS 91 30.997 -11.021 13.588 683 HG3 LYS 91 2HG LYS 91 31.448 -9.551 12.707 684 HD2 LYS 91 1HD LYS 91 30.467 -8.859 14.765 685 HD3 LYS 91 2HD LYS 91 29.312 -8.495 13.482 686 HE2 LYS 91 1HE LYS 91 28.024 -10.548 14.060 687 HE3 LYS 91 2HE LYS 91 29.204 -10.900 15.349 688 HZ1 LYS 91 1HZ LYS 91 27.382 -9.786 16.326 689 HZ2 LYS 91 2HZ LYS 91 27.372 -8.586 15.190 690 HZ3 LYS 91 3HZ LYS 91 28.617 -8.694 16.275 691 HA PRO 92 HA PRO 92 33.138 -9.080 8.355 692 HB2 PRO 92 1HB PRO 92 31.779 -6.963 7.245 693 HB3 PRO 92 2HB PRO 92 31.769 -8.608 6.531 694 HG2 PRO 92 1HG PRO 92 29.741 -7.291 8.275 695 HG3 PRO 92 2HG PRO 92 29.506 -8.219 6.774 696 HD2 PRO 92 1HD PRO 92 29.142 -9.270 9.250 697 HD3 PRO 92 2HD PRO 92 29.742 -10.254 7.875 698 HA PRO 93 HA PRO 93 33.981 -6.193 11.552 699 HB2 PRO 93 1HB PRO 93 35.819 -4.497 10.501 700 HB3 PRO 93 2HB PRO 93 36.163 -6.246 10.693 701 HG2 PRO 93 1HG PRO 93 35.189 -4.774 8.259 702 HG3 PRO 93 2HG PRO 93 36.599 -5.869 8.421 703 HD2 PRO 93 1HD PRO 93 34.217 -6.742 7.491 704 HD3 PRO 93 2HD PRO 93 35.247 -7.780 8.538 705 H LEU 94 H LEU 94 34.174 -3.769 12.128 706 HA LEU 94 HA LEU 94 32.326 -2.100 10.521 707 HB2 LEU 94 1HB LEU 94 32.190 -2.774 13.467 708 HB3 LEU 94 2HB LEU 94 31.563 -1.245 12.868 709 HG LEU 94 HG LEU 94 30.581 -3.996 12.047 710 HD11 LEU 94 1HD1 LEU 94 30.011 -3.220 14.339 711 HD12 LEU 94 2HD1 LEU 94 28.604 -3.383 13.268 712 HD13 LEU 94 3HD1 LEU 94 29.269 -1.768 13.613 713 HD21 LEU 94 1HD2 LEU 94 30.323 -2.434 10.186 714 HD22 LEU 94 2HD2 LEU 94 29.609 -1.213 11.269 715 HD23 LEU 94 3HD2 LEU 94 28.757 -2.735 10.933 716 HA PRO 95 HA PRO 95 35.388 1.009 11.320 717 HB2 PRO 95 1HB PRO 95 33.976 3.298 10.986 718 HB3 PRO 95 2HB PRO 95 34.235 2.161 9.626 719 HG2 PRO 95 1HG PRO 95 31.865 2.410 11.462 720 HG3 PRO 95 2HG PRO 95 31.900 2.390 9.670 721 HD2 PRO 95 1HD PRO 95 31.391 0.153 11.146 722 HD3 PRO 95 2HD PRO 95 32.273 0.079 9.595 723 H GLU 96 H GLU 96 35.886 2.901 12.648 724 HA GLU 96 HA GLU 96 34.841 2.536 15.393 725 HB2 GLU 96 1HB GLU 96 37.317 3.946 14.336 726 HB3 GLU 96 2HB GLU 96 36.896 3.756 16.048 727 HG2 GLU 96 1HG GLU 96 37.009 1.301 15.809 728 HG3 GLU 96 2HG GLU 96 37.438 1.486 14.100 729 H GLY 97 H GLY 97 33.053 3.919 13.729 730 HA2 GLY 97 1HA GLY 97 31.683 5.740 14.555 731 HA3 GLY 97 2HA GLY 97 33.146 6.596 15.043 732 H GLU 98 H GLU 98 32.271 8.452 13.921 733 HA GLU 98 HA GLU 98 31.709 8.388 11.102 734 HB2 GLU 98 1HB GLU 98 32.468 10.685 12.948 735 HB3 GLU 98 2HB GLU 98 31.951 10.876 11.267 736 HG2 GLU 98 1HG GLU 98 29.792 9.760 11.858 737 HG3 GLU 98 2HG GLU 98 30.304 9.763 13.558 738 H VAL 99 H VAL 99 33.144 7.981 9.567 739 HA VAL 99 HA VAL 99 35.975 8.080 10.004 740 HB VAL 99 HB VAL 99 36.079 7.304 7.628 741 HG11 VAL 99 1HG1 VAL 99 35.633 5.668 9.494 742 HG12 VAL 99 2HG1 VAL 99 33.889 5.862 9.261 743 HG13 VAL 99 3HG1 VAL 99 34.883 5.156 7.977 744 HG21 VAL 99 1HG2 VAL 99 33.005 7.633 7.590 745 HG22 VAL 99 2HG2 VAL 99 34.149 8.668 6.714 746 HG23 VAL 99 3HG2 VAL 99 34.012 6.957 6.305 747 HXT VAL 99 H02 VAL 99 35.124 10.383 10.419 Start of MODEL 11 1 H2 GLY 1 2H0 GLY 1 8.721 10.630 -1.333 2 H GLY 1 1H0 GLY 1 8.600 9.160 -2.056 3 HA2 GLY 1 1HA GLY 1 10.528 9.095 -0.632 4 HA3 GLY 1 2HA GLY 1 9.536 9.683 0.729 5 H SER 2 H SER 2 7.417 7.933 -0.549 6 HA SER 2 HA SER 2 7.707 5.675 1.221 7 HB2 SER 2 1HB SER 2 5.864 6.015 -1.177 8 HB3 SER 2 2HB SER 2 5.659 4.854 0.158 9 HG SER 2 HG SER 2 4.403 6.767 0.444 10 H MET 3 H MET 3 8.036 3.492 0.719 11 HA MET 3 HA MET 3 9.151 1.747 -0.222 12 HB2 MET 3 1HB MET 3 7.091 2.156 -1.737 13 HB3 MET 3 2HB MET 3 8.248 2.757 -2.925 14 HG2 MET 3 1HG MET 3 7.730 0.419 -3.367 15 HG3 MET 3 2HG MET 3 9.421 0.566 -2.864 16 HE1 MET 3 1HE MET 3 8.523 -2.233 -2.909 17 HE2 MET 3 2HE MET 3 10.006 -1.839 -2.002 18 HE3 MET 3 3HE MET 3 8.762 -2.885 -1.276 19 H LYS 4 H LYS 4 10.838 4.017 0.223 20 HA LYS 4 HA LYS 4 12.658 4.025 -2.100 21 HB2 LYS 4 1HB LYS 4 12.049 5.915 -0.209 22 HB3 LYS 4 2HB LYS 4 13.585 5.283 0.398 23 HG2 LYS 4 1HG LYS 4 14.581 5.676 -1.845 24 HG3 LYS 4 2HG LYS 4 13.039 6.364 -2.388 25 HD2 LYS 4 1HD LYS 4 13.222 8.073 -0.568 26 HD3 LYS 4 2HD LYS 4 14.835 7.436 -0.183 27 HE2 LYS 4 1HE LYS 4 13.950 8.597 -2.858 28 HE3 LYS 4 2HE LYS 4 14.973 9.414 -1.660 29 HZ1 LYS 4 1HZ LYS 4 15.676 6.898 -3.077 30 HZ2 LYS 4 2HZ LYS 4 16.632 7.678 -1.983 31 HZ3 LYS 4 3HZ LYS 4 16.289 8.394 -3.430 32 H TYR 5 H TYR 5 12.018 1.690 -0.211 33 HA TYR 5 HA TYR 5 14.832 0.824 0.176 34 HB2 TYR 5 1HB TYR 5 12.541 0.696 2.160 35 HB3 TYR 5 2HB TYR 5 13.927 -0.390 2.245 36 HD1 TYR 5 HD1 TYR 5 12.689 2.839 3.201 37 HD2 TYR 5 HD2 TYR 5 16.299 0.693 2.296 38 HE1 TYR 5 HE1 TYR 5 14.021 4.525 4.464 39 HE2 TYR 5 HE2 TYR 5 17.624 2.367 3.545 40 HH TYR 5 HH TYR 5 16.105 5.163 5.177 41 H LEU 6 H LEU 6 14.984 -1.526 0.300 42 HA LEU 6 HA LEU 6 13.614 -2.694 -1.926 43 HB2 LEU 6 1HB LEU 6 15.169 -4.067 0.292 44 HB3 LEU 6 2HB LEU 6 14.804 -4.734 -1.286 45 HG LEU 6 HG LEU 6 16.664 -2.413 -0.767 46 HD11 LEU 6 1HD1 LEU 6 17.505 -4.569 0.100 47 HD12 LEU 6 2HD1 LEU 6 18.446 -4.028 -1.303 48 HD13 LEU 6 3HD1 LEU 6 17.231 -5.318 -1.489 49 HD21 LEU 6 1HD2 LEU 6 15.669 -2.239 -2.991 50 HD22 LEU 6 2HD2 LEU 6 16.057 -3.945 -3.323 51 HD23 LEU 6 3HD2 LEU 6 17.362 -2.750 -3.121 52 H ASN 7 H ASN 7 13.258 -3.160 1.587 53 HA ASN 7 HA ASN 7 11.697 -4.220 2.865 54 HB2 ASN 7 1HB ASN 7 9.891 -3.317 0.607 55 HB3 ASN 7 2HB ASN 7 9.323 -3.938 2.159 56 HD21 ASN 7 1HD2 ASN 7 10.146 -0.104 1.849 57 HD22 ASN 7 2HD2 ASN 7 9.884 -1.178 0.497 58 H VAL 8 H VAL 8 13.118 -6.155 1.781 59 HA VAL 8 HA VAL 8 11.155 -8.137 0.700 60 HB VAL 8 HB VAL 8 12.806 -9.060 -0.608 61 HG11 VAL 8 1HG1 VAL 8 14.337 -6.510 0.024 62 HG12 VAL 8 2HG1 VAL 8 14.409 -7.476 -1.470 63 HG13 VAL 8 3HG1 VAL 8 12.925 -6.588 -1.073 64 HG21 VAL 8 1HG2 VAL 8 15.269 -9.104 0.068 65 HG22 VAL 8 2HG2 VAL 8 14.733 -8.519 1.651 66 HG23 VAL 8 3HG2 VAL 8 14.151 -10.075 1.039 67 H LEU 9 H LEU 9 11.487 -10.400 1.614 68 HA LEU 9 HA LEU 9 12.065 -10.163 4.528 69 HB2 LEU 9 1HB LEU 9 10.727 -12.384 2.953 70 HB3 LEU 9 2HB LEU 9 10.944 -12.352 4.703 71 HG LEU 9 HG LEU 9 9.232 -10.417 3.095 72 HD11 LEU 9 1HD1 LEU 9 7.351 -11.590 4.155 73 HD12 LEU 9 2HD1 LEU 9 8.481 -12.701 4.964 74 HD13 LEU 9 3HD1 LEU 9 8.330 -12.711 3.189 75 HD21 LEU 9 1HD2 LEU 9 10.093 -9.302 5.095 76 HD22 LEU 9 2HD2 LEU 9 9.643 -10.695 6.104 77 HD23 LEU 9 3HD2 LEU 9 8.385 -9.703 5.334 78 H ALA 10 H ALA 10 13.602 -11.389 5.558 79 HA ALA 10 HA ALA 10 15.153 -13.322 3.888 80 HB1 ALA 10 1HB ALA 10 16.365 -11.137 5.626 81 HB2 ALA 10 2HB ALA 10 17.260 -12.411 4.752 82 HB3 ALA 10 3HB ALA 10 16.358 -11.177 3.847 83 H LYS 11 H LYS 11 15.995 -15.058 5.024 84 HA LYS 11 HA LYS 11 14.983 -15.328 7.838 85 HB2 LYS 11 1HB LYS 11 14.147 -16.997 6.296 86 HB3 LYS 11 2HB LYS 11 15.774 -17.412 5.769 87 HG2 LYS 11 1HG LYS 11 16.303 -18.342 7.946 88 HG3 LYS 11 2HG LYS 11 14.781 -17.765 8.634 89 HD2 LYS 11 1HD LYS 11 14.914 -19.771 6.362 90 HD3 LYS 11 2HD LYS 11 14.912 -20.232 8.077 91 HE2 LYS 11 1HE LYS 11 12.770 -18.982 8.382 92 HE3 LYS 11 2HE LYS 11 12.734 -18.674 6.634 93 HZ1 LYS 11 1HZ LYS 11 11.407 -20.591 7.212 94 HZ2 LYS 11 2HZ LYS 11 12.700 -21.350 7.899 95 HZ3 LYS 11 3HZ LYS 11 12.675 -21.068 6.273 96 H ALA 12 H ALA 12 16.309 -15.783 9.504 97 HA ALA 12 HA ALA 12 19.197 -15.470 9.181 98 HB1 ALA 12 1HB ALA 12 18.006 -14.637 11.188 99 HB2 ALA 12 2HB ALA 12 17.455 -16.280 11.561 100 HB3 ALA 12 3HB ALA 12 19.176 -15.888 11.647 101 H LEU 13 H LEU 13 20.636 -17.089 8.697 102 HA LEU 13 HA LEU 13 19.701 -19.905 8.817 103 HB2 LEU 13 1HB LEU 13 22.367 -18.678 8.056 104 HB3 LEU 13 2HB LEU 13 21.997 -20.384 8.000 105 HG LEU 13 HG LEU 13 21.838 -19.928 5.847 106 HD11 LEU 13 1HD1 LEU 13 19.577 -20.696 6.519 107 HD12 LEU 13 2HD1 LEU 13 19.583 -19.730 5.034 108 HD13 LEU 13 3HD1 LEU 13 19.048 -18.995 6.561 109 HD21 LEU 13 1HD2 LEU 13 22.433 -17.554 6.181 110 HD22 LEU 13 2HD2 LEU 13 20.694 -17.202 6.334 111 HD23 LEU 13 3HD2 LEU 13 21.355 -17.859 4.820 112 H TYR 14 H TYR 14 21.360 -17.597 10.721 113 HA TYR 14 HA TYR 14 22.141 -19.701 12.675 114 HB2 TYR 14 1HB TYR 14 23.919 -17.391 11.802 115 HB3 TYR 14 2HB TYR 14 24.297 -18.621 13.016 116 HD1 TYR 14 HD1 TYR 14 24.789 -20.981 12.312 117 HD2 TYR 14 HD2 TYR 14 24.140 -17.852 9.433 118 HE1 TYR 14 HE1 TYR 14 25.804 -22.397 10.538 119 HE2 TYR 14 HE2 TYR 14 25.115 -19.287 7.650 120 HH TYR 14 HH TYR 14 26.124 -21.275 7.159 121 H ASP 15 H ASP 15 22.526 -18.722 14.815 122 HA ASP 15 HA ASP 15 20.589 -16.643 15.437 123 HB2 ASP 15 1HB ASP 15 22.870 -17.800 17.102 124 HB3 ASP 15 2HB ASP 15 21.430 -16.962 17.716 125 H ASN 16 H ASN 16 21.153 -14.524 16.381 126 HA ASN 16 HA ASN 16 23.979 -13.705 15.914 127 HB2 ASN 16 1HB ASN 16 22.444 -13.097 13.939 128 HB3 ASN 16 2HB ASN 16 21.718 -11.913 15.031 129 HD21 ASN 16 1HD2 ASN 16 24.233 -9.592 14.409 130 HD22 ASN 16 2HD2 ASN 16 22.560 -9.931 14.844 131 H VAL 17 H VAL 17 24.780 -12.644 17.559 132 HA VAL 17 HA VAL 17 22.922 -11.347 19.483 133 HB VAL 17 HB VAL 17 25.829 -12.247 19.820 134 HG11 VAL 17 1HG1 VAL 17 23.885 -11.008 21.828 135 HG12 VAL 17 2HG1 VAL 17 25.494 -11.655 22.220 136 HG13 VAL 17 3HG1 VAL 17 25.350 -10.237 21.163 137 HG21 VAL 17 1HG2 VAL 17 23.250 -13.393 20.999 138 HG22 VAL 17 2HG2 VAL 17 24.271 -14.170 19.767 139 HG23 VAL 17 3HG2 VAL 17 24.899 -13.923 21.409 140 H ALA 18 H ALA 18 22.923 -9.209 19.353 141 HA ALA 18 HA ALA 18 24.507 -7.862 17.355 142 HB1 ALA 18 1HB ALA 18 22.648 -6.856 19.554 143 HB2 ALA 18 2HB ALA 18 23.392 -5.817 18.320 144 HB3 ALA 18 3HB ALA 18 22.253 -7.089 17.829 145 H GLU 19 H GLU 19 26.478 -7.036 17.593 146 HA GLU 19 HA GLU 19 27.600 -6.829 20.371 147 HB2 GLU 19 1HB GLU 19 28.916 -7.120 17.647 148 HB3 GLU 19 2HB GLU 19 29.802 -6.840 19.156 149 HG2 GLU 19 1HG GLU 19 28.911 -8.910 20.090 150 HG3 GLU 19 2HG GLU 19 27.988 -9.208 18.615 151 H SER 20 H SER 20 26.725 -5.145 17.469 152 HA SER 20 HA SER 20 27.949 -2.620 18.499 153 HB2 SER 20 1HB SER 20 26.753 -3.296 15.779 154 HB3 SER 20 2HB SER 20 27.552 -1.770 16.223 155 HG SER 20 HG SER 20 29.012 -3.163 15.191 156 HA PRO 21 HA PRO 21 23.960 -1.329 19.730 157 HB2 PRO 21 1HB PRO 21 24.068 1.389 19.417 158 HB3 PRO 21 2HB PRO 21 25.012 0.522 20.674 159 HG2 PRO 21 1HG PRO 21 25.903 1.434 17.942 160 HG3 PRO 21 2HG PRO 21 26.693 1.677 19.530 161 HD2 PRO 21 1HD PRO 21 27.468 -0.263 17.881 162 HD3 PRO 21 2HD PRO 21 27.426 -0.503 19.660 163 H ASP 22 H ASP 22 25.057 -0.797 16.494 164 HA ASP 22 HA ASP 22 22.418 0.129 15.557 165 HB2 ASP 22 1HB ASP 22 25.079 -0.377 14.175 166 HB3 ASP 22 2HB ASP 22 23.625 0.226 13.362 167 H GLU 23 H GLU 23 23.862 -2.812 16.319 168 HA GLU 23 HA GLU 23 22.939 -4.211 13.904 169 HB2 GLU 23 1HB GLU 23 25.183 -4.573 15.003 170 HB3 GLU 23 2HB GLU 23 24.327 -5.321 16.352 171 HG2 GLU 23 1HG GLU 23 23.424 -7.025 14.805 172 HG3 GLU 23 2HG GLU 23 24.290 -6.259 13.472 173 H LEU 24 H LEU 24 21.518 -6.005 13.949 174 HA LEU 24 HA LEU 24 19.529 -5.885 16.167 175 HB2 LEU 24 1HB LEU 24 19.452 -7.197 13.443 176 HB3 LEU 24 2HB LEU 24 18.197 -7.390 14.657 177 HG LEU 24 HG LEU 24 19.000 -4.763 13.374 178 HD11 LEU 24 1HD1 LEU 24 17.904 -6.167 11.770 179 HD12 LEU 24 2HD1 LEU 24 16.735 -4.956 12.325 180 HD13 LEU 24 3HD1 LEU 24 16.648 -6.621 12.940 181 HD21 LEU 24 1HD2 LEU 24 16.880 -3.954 14.462 182 HD22 LEU 24 2HD2 LEU 24 18.171 -4.354 15.606 183 HD23 LEU 24 3HD2 LEU 24 16.811 -5.483 15.366 184 H SER 25 H SER 25 18.936 -7.550 17.393 185 HA SER 25 HA SER 25 20.688 -9.949 17.354 186 HB2 SER 25 1HB SER 25 19.880 -10.237 19.695 187 HB3 SER 25 2HB SER 25 20.737 -8.698 19.465 188 HG SER 25 HG SER 25 17.916 -8.953 19.250 189 H PHE 26 H PHE 26 19.819 -11.796 16.798 190 HA PHE 26 HA PHE 26 16.954 -12.380 17.136 191 HB2 PHE 26 1HB PHE 26 16.681 -13.029 14.748 192 HB3 PHE 26 2HB PHE 26 16.819 -11.297 15.003 193 HD1 PHE 26 HD1 PHE 26 18.472 -10.016 13.944 194 HD2 PHE 26 HD2 PHE 26 18.736 -14.309 13.913 195 HE1 PHE 26 HE1 PHE 26 20.257 -9.891 12.242 196 HE2 PHE 26 HE2 PHE 26 20.546 -14.193 12.221 197 HZ PHE 26 HZ PHE 26 21.296 -11.996 11.362 198 H ARG 27 H ARG 27 16.606 -14.698 16.114 199 HA ARG 27 HA ARG 27 19.075 -16.279 16.741 200 HB2 ARG 27 1HB ARG 27 17.947 -17.724 18.077 201 HB3 ARG 27 2HB ARG 27 17.041 -16.261 18.403 202 HG2 ARG 27 1HG ARG 27 16.210 -18.523 16.563 203 HG3 ARG 27 2HG ARG 27 15.556 -18.164 18.163 204 HD2 ARG 27 1HD ARG 27 14.727 -16.023 17.372 205 HD3 ARG 27 2HD ARG 27 15.436 -16.320 15.776 206 HE ARG 27 HE ARG 27 13.891 -18.514 16.050 207 HH11 ARG 27 1HH1 ARG 27 13.064 -15.107 16.544 208 HH12 ARG 27 2HH1 ARG 27 11.378 -15.380 16.193 209 HH21 ARG 27 1HH2 ARG 27 11.740 -18.754 15.576 210 HH22 ARG 27 2HH2 ARG 27 10.652 -17.392 15.635 211 H LYS 28 H LYS 28 18.854 -18.608 15.748 212 HA LYS 28 HA LYS 28 18.668 -18.323 12.911 213 HB2 LYS 28 1HB LYS 28 19.989 -20.052 14.092 214 HB3 LYS 28 2HB LYS 28 18.507 -20.779 14.720 215 HG2 LYS 28 1HG LYS 28 17.820 -21.429 12.501 216 HG3 LYS 28 2HG LYS 28 19.195 -20.578 11.781 217 HD2 LYS 28 1HD LYS 28 20.745 -22.049 12.997 218 HD3 LYS 28 2HD LYS 28 19.368 -22.901 13.728 219 HE2 LYS 28 1HE LYS 28 18.602 -23.575 11.470 220 HE3 LYS 28 2HE LYS 28 20.000 -22.727 10.761 221 HZ1 LYS 28 1HZ LYS 28 20.501 -25.039 11.027 222 HZ2 LYS 28 2HZ LYS 28 20.140 -24.999 12.638 223 HZ3 LYS 28 3HZ LYS 28 21.443 -24.171 12.056 224 H GLY 29 H GLY 29 17.105 -18.578 11.480 225 HA2 GLY 29 1HA GLY 29 15.082 -19.410 10.640 226 HA3 GLY 29 2HA GLY 29 14.586 -19.901 12.262 227 H ASP 30 H ASP 30 15.671 -16.775 12.627 228 HA ASP 30 HA ASP 30 12.971 -15.732 12.842 229 HB2 ASP 30 1HB ASP 30 15.560 -14.944 13.681 230 HB3 ASP 30 2HB ASP 30 15.005 -13.667 12.609 231 H ILE 31 H ILE 31 12.176 -13.848 11.665 232 HA ILE 31 HA ILE 31 13.247 -13.693 8.868 233 HB ILE 31 HB ILE 31 10.327 -13.499 9.750 234 HG12 ILE 31 1HG1 ILE 31 11.052 -15.828 9.710 235 HG13 ILE 31 2HG1 ILE 31 9.965 -15.495 8.365 236 HG21 ILE 31 1HG2 ILE 31 10.665 -11.943 7.933 237 HG22 ILE 31 2HG2 ILE 31 11.671 -13.097 7.029 238 HG23 ILE 31 3HG2 ILE 31 9.922 -13.383 7.216 239 HD11 ILE 31 1HD1 ILE 31 11.619 -16.854 7.438 240 HD12 ILE 31 2HD1 ILE 31 12.108 -15.231 6.918 241 HD13 ILE 31 3HD1 ILE 31 12.925 -16.016 8.288 242 H MET 32 H MET 32 13.902 -11.698 8.352 243 HA MET 32 HA MET 32 12.662 -9.404 9.820 244 HB2 MET 32 1HB MET 32 14.865 -8.278 9.759 245 HB3 MET 32 2HB MET 32 14.848 -9.720 10.759 246 HG2 MET 32 1HG MET 32 15.715 -10.788 8.428 247 HG3 MET 32 2HG MET 32 16.363 -9.155 8.299 248 HE1 MET 32 1HE MET 32 16.359 -12.588 10.099 249 HE2 MET 32 2HE MET 32 17.348 -12.321 11.554 250 HE3 MET 32 3HE MET 32 15.709 -11.638 11.459 251 H THR 33 H THR 33 12.677 -7.424 8.716 252 HA THR 33 HA THR 33 12.251 -7.829 5.807 253 HB THR 33 HB THR 33 11.750 -5.421 7.616 254 HG1 THR 33 HG1 THR 33 9.586 -6.115 7.426 255 HG21 THR 33 1HG2 THR 33 10.284 -4.689 5.717 256 HG22 THR 33 2HG2 THR 33 10.988 -5.994 4.731 257 HG23 THR 33 3HG2 THR 33 12.017 -4.671 5.343 258 H VAL 34 H VAL 34 14.009 -7.565 4.514 259 HA VAL 34 HA VAL 34 16.272 -5.924 5.374 260 HB VAL 34 HB VAL 34 15.767 -7.171 2.668 261 HG11 VAL 34 1HG1 VAL 34 17.484 -5.459 2.557 262 HG12 VAL 34 2HG1 VAL 34 18.294 -6.127 3.992 263 HG13 VAL 34 3HG1 VAL 34 18.257 -7.053 2.473 264 HG21 VAL 34 1HG2 VAL 34 17.144 -8.272 5.126 265 HG22 VAL 34 2HG2 VAL 34 15.719 -8.934 4.285 266 HG23 VAL 34 3HG2 VAL 34 17.305 -8.965 3.504 267 H LEU 35 H LEU 35 16.373 -3.833 5.134 268 HA LEU 35 HA LEU 35 14.437 -2.475 3.357 269 HB2 LEU 35 1HB LEU 35 16.453 -1.426 5.366 270 HB3 LEU 35 2HB LEU 35 15.241 -0.454 4.530 271 HG LEU 35 HG LEU 35 14.606 -2.739 6.434 272 HD11 LEU 35 1HD1 LEU 35 13.944 -0.891 7.945 273 HD12 LEU 35 2HD1 LEU 35 14.730 0.245 6.825 274 HD13 LEU 35 3HD1 LEU 35 15.685 -1.021 7.635 275 HD21 LEU 35 1HD2 LEU 35 12.343 -1.751 6.444 276 HD22 LEU 35 2HD2 LEU 35 12.798 -2.336 4.838 277 HD23 LEU 35 3HD2 LEU 35 12.845 -0.591 5.191 278 H GLU 36 H GLU 36 17.979 -2.717 3.965 279 HA GLU 36 HA GLU 36 18.354 -2.474 1.072 280 HB2 GLU 36 1HB GLU 36 19.687 -0.591 0.974 281 HB3 GLU 36 2HB GLU 36 18.351 -0.085 1.994 282 HG2 GLU 36 1HG GLU 36 19.748 -0.464 3.934 283 HG3 GLU 36 2HG GLU 36 21.089 -0.838 2.850 284 H ARG 37 H ARG 37 20.810 -2.710 0.603 285 HA ARG 37 HA ARG 37 22.045 -4.460 2.686 286 HB2 ARG 37 1HB ARG 37 22.106 -4.728 -0.332 287 HB3 ARG 37 2HB ARG 37 23.007 -5.736 0.805 288 HG2 ARG 37 1HG ARG 37 20.821 -6.477 1.763 289 HG3 ARG 37 2HG ARG 37 20.004 -5.600 0.467 290 HD2 ARG 37 1HD ARG 37 22.087 -7.750 -0.009 291 HD3 ARG 37 2HD ARG 37 20.346 -8.053 0.026 292 HE ARG 37 HE ARG 37 20.071 -6.902 -2.004 293 HH11 ARG 37 1HH1 ARG 37 23.495 -6.783 -1.068 294 HH12 ARG 37 2HH1 ARG 37 23.993 -6.278 -2.649 295 HH21 ARG 37 1HH2 ARG 37 20.807 -6.263 -3.989 296 HH22 ARG 37 2HH2 ARG 37 22.507 -5.996 -4.266 297 H ASP 38 H ASP 38 24.303 -4.283 2.791 298 HA ASP 38 HA ASP 38 26.294 -3.235 2.751 299 HB2 ASP 38 1HB ASP 38 25.595 -2.458 -0.087 300 HB3 ASP 38 2HB ASP 38 27.208 -2.711 0.598 301 H THR 39 H THR 39 24.156 -2.024 3.854 302 HA THR 39 HA THR 39 23.623 0.672 3.095 303 HB THR 39 HB THR 39 22.109 -0.618 4.534 304 HG1 THR 39 HG1 THR 39 21.782 1.473 4.959 305 HG21 THR 39 1HG2 THR 39 24.292 -0.573 6.584 306 HG22 THR 39 2HG2 THR 39 23.611 -1.990 5.745 307 HG23 THR 39 3HG2 THR 39 22.610 -1.054 6.856 308 H GLN 40 H GLN 40 24.346 2.607 3.881 309 HA GLN 40 HA GLN 40 25.856 4.141 4.587 310 HB2 GLN 40 1HB GLN 40 26.688 2.301 6.811 311 HB3 GLN 40 2HB GLN 40 26.647 4.060 6.787 312 HG2 GLN 40 1HG GLN 40 24.110 3.797 6.510 313 HG3 GLN 40 2HG GLN 40 24.356 2.115 6.977 314 HE21 GLN 40 1HE2 GLN 40 24.597 2.779 10.372 315 HE22 GLN 40 2HE2 GLN 40 24.518 1.605 9.079 316 H GLY 41 H GLY 41 26.843 1.639 2.942 317 HA2 GLY 41 1HA GLY 41 28.867 1.351 1.802 318 HA3 GLY 41 2HA GLY 41 29.639 2.542 2.871 319 H LEU 42 H LEU 42 27.786 0.172 4.559 320 HA LEU 42 HA LEU 42 30.270 -1.075 5.531 321 HB2 LEU 42 1HB LEU 42 27.369 -1.444 6.321 322 HB3 LEU 42 2HB LEU 42 28.761 -2.078 7.189 323 HG LEU 42 HG LEU 42 28.249 0.882 6.803 324 HD11 LEU 42 1HD1 LEU 42 27.487 -0.928 9.106 325 HD12 LEU 42 2HD1 LEU 42 26.375 -0.105 7.977 326 HD13 LEU 42 3HD1 LEU 42 27.373 0.849 9.096 327 HD21 LEU 42 1HD2 LEU 42 29.955 -0.676 8.766 328 HD22 LEU 42 2HD2 LEU 42 29.739 1.089 8.730 329 HD23 LEU 42 3HD2 LEU 42 30.549 0.272 7.378 330 H ASP 43 H ASP 43 30.878 -2.274 3.729 331 HA ASP 43 HA ASP 43 29.162 -3.784 2.077 332 HB2 ASP 43 1HB ASP 43 32.048 -3.635 2.625 333 HB3 ASP 43 2HB ASP 43 31.506 -5.250 2.130 334 H GLY 44 H GLY 44 28.082 -5.638 2.265 335 HA2 GLY 44 1HA GLY 44 27.688 -7.809 3.022 336 HA3 GLY 44 2HA GLY 44 29.006 -7.660 4.188 337 H TRP 45 H TRP 45 27.498 -4.935 5.019 338 HA TRP 45 HA TRP 45 25.816 -6.310 7.019 339 HB2 TRP 45 1HB TRP 45 26.889 -3.535 6.574 340 HB3 TRP 45 2HB TRP 45 25.690 -3.829 7.791 341 HD1 TRP 45 HD1 TRP 45 29.378 -4.050 7.188 342 HE1 TRP 45 HE1 TRP 45 30.619 -5.031 9.177 343 HE3 TRP 45 HE3 TRP 45 25.305 -5.806 9.706 344 HZ2 TRP 45 HZ2 TRP 45 29.903 -6.461 11.574 345 HZ3 TRP 45 HZ3 TRP 45 25.636 -6.960 11.883 346 HH2 TRP 45 HH2 TRP 45 27.904 -7.284 12.802 347 H TRP 46 H TRP 46 23.640 -6.394 6.869 348 HA TRP 46 HA TRP 46 22.395 -4.786 4.669 349 HB2 TRP 46 1HB TRP 46 21.593 -7.461 5.868 350 HB3 TRP 46 2HB TRP 46 20.668 -6.587 4.640 351 HD1 TRP 46 HD1 TRP 46 24.092 -6.041 3.569 352 HE1 TRP 46 HE1 TRP 46 24.928 -7.663 1.823 353 HE3 TRP 46 HE3 TRP 46 20.441 -9.595 4.151 354 HZ2 TRP 46 HZ2 TRP 46 24.137 -10.229 0.815 355 HZ3 TRP 46 HZ3 TRP 46 20.579 -11.668 2.774 356 HH2 TRP 46 HH2 TRP 46 22.390 -11.960 1.099 357 H LEU 47 H LEU 47 20.922 -3.306 5.210 358 HA LEU 47 HA LEU 47 20.249 -2.889 8.027 359 HB2 LEU 47 1HB LEU 47 20.567 -1.005 6.437 360 HB3 LEU 47 2HB LEU 47 19.235 -1.610 5.469 361 HG LEU 47 HG LEU 47 17.676 -1.137 7.279 362 HD11 LEU 47 1HD1 LEU 47 20.099 -0.098 8.765 363 HD12 LEU 47 2HD1 LEU 47 19.020 -1.426 9.244 364 HD13 LEU 47 3HD1 LEU 47 18.413 0.236 9.227 365 HD21 LEU 47 1HD2 LEU 47 17.765 1.311 7.148 366 HD22 LEU 47 2HD2 LEU 47 18.162 0.582 5.580 367 HD23 LEU 47 3HD2 LEU 47 19.459 1.232 6.608 368 H CYS 48 H CYS 48 18.685 -3.994 9.022 369 HA CYS 48 HA CYS 48 16.306 -4.721 7.379 370 HB2 CYS 48 1HB CYS 48 17.497 -6.527 9.509 371 HB3 CYS 48 2HB CYS 48 16.201 -6.891 8.371 372 HG CYS 48 HG CYS 48 19.390 -6.272 7.730 373 H SER 49 H SER 49 14.480 -5.403 8.803 374 HA SER 49 HA SER 49 14.494 -3.890 11.371 375 HB2 SER 49 1HB SER 49 12.815 -2.584 10.700 376 HB3 SER 49 2HB SER 49 13.147 -3.122 9.062 377 HG SER 49 HG SER 49 10.982 -3.461 9.538 378 H LEU 50 H LEU 50 13.805 -5.020 13.036 379 HA LEU 50 HA LEU 50 12.182 -7.484 12.647 380 HB2 LEU 50 1HB LEU 50 14.587 -8.153 12.504 381 HB3 LEU 50 2HB LEU 50 14.873 -7.367 14.052 382 HG LEU 50 HG LEU 50 12.800 -9.140 14.596 383 HD11 LEU 50 1HD1 LEU 50 13.415 -11.247 13.764 384 HD12 LEU 50 2HD1 LEU 50 14.854 -10.575 12.963 385 HD13 LEU 50 3HD1 LEU 50 13.225 -10.151 12.379 386 HD21 LEU 50 1HD2 LEU 50 15.794 -9.382 14.972 387 HD22 LEU 50 2HD2 LEU 50 14.579 -10.372 15.815 388 HD23 LEU 50 3HD2 LEU 50 14.631 -8.620 16.078 389 H HIS 51 H HIS 51 10.768 -7.685 14.319 390 HA HIS 51 HA HIS 51 9.565 -7.126 16.193 391 HB2 HIS 51 1HB HIS 51 12.298 -6.612 17.427 392 HB3 HIS 51 2HB HIS 51 10.788 -6.853 18.305 393 HD1 HIS 51 HD1 HIS 51 13.251 -8.738 18.735 394 HD2 HIS 51 HD2 HIS 51 10.092 -9.513 16.130 395 HE1 HIS 51 HE1 HIS 51 13.164 -11.248 18.402 396 H GLY 52 H GLY 52 10.242 -4.934 14.263 397 HA2 GLY 52 1HA GLY 52 9.569 -2.711 14.168 398 HA3 GLY 52 2HA GLY 52 9.255 -2.748 15.904 399 H ARG 53 H ARG 53 12.417 -3.852 15.204 400 HA ARG 53 HA ARG 53 13.532 -1.147 15.851 401 HB2 ARG 53 1HB ARG 53 13.675 -3.372 17.400 402 HB3 ARG 53 2HB ARG 53 15.040 -3.699 16.342 403 HG2 ARG 53 1HG ARG 53 14.755 -1.083 17.865 404 HG3 ARG 53 2HG ARG 53 15.490 -2.530 18.572 405 HD2 ARG 53 1HD ARG 53 17.033 -2.550 16.511 406 HD3 ARG 53 2HD ARG 53 16.481 -0.886 16.245 407 HE ARG 53 HE ARG 53 17.277 -1.106 18.941 408 HH11 ARG 53 1HH1 ARG 53 18.852 -1.220 15.756 409 HH12 ARG 53 2HH1 ARG 53 20.395 -0.751 16.443 410 HH21 ARG 53 1HH2 ARG 53 19.261 -0.469 19.673 411 HH22 ARG 53 2HH2 ARG 53 20.615 -0.320 18.572 412 H GLN 54 H GLN 54 15.113 -0.444 14.466 413 HA GLN 54 HA GLN 54 15.618 -2.137 12.063 414 HB2 GLN 54 1HB GLN 54 15.110 0.686 12.547 415 HB3 GLN 54 2HB GLN 54 16.634 0.457 11.680 416 HG2 GLN 54 1HG GLN 54 15.478 -0.825 9.976 417 HG3 GLN 54 2HG GLN 54 13.962 -0.681 10.870 418 HE21 GLN 54 1HE2 GLN 54 15.451 2.778 9.209 419 HE22 GLN 54 2HE2 GLN 54 16.544 1.636 9.946 420 H GLY 55 H GLY 55 17.756 -2.501 11.352 421 HA2 GLY 55 1HA GLY 55 20.014 -1.176 12.443 422 HA3 GLY 55 2HA GLY 55 19.745 -2.647 13.385 423 H ILE 56 H ILE 56 22.101 -2.486 12.140 424 HA ILE 56 HA ILE 56 21.913 -3.718 9.469 425 HB ILE 56 HB ILE 56 24.386 -3.719 9.472 426 HG12 ILE 56 1HG1 ILE 56 24.103 -2.721 12.362 427 HG13 ILE 56 2HG1 ILE 56 24.686 -4.313 11.889 428 HG21 ILE 56 1HG2 ILE 56 24.709 -1.342 9.472 429 HG22 ILE 56 2HG2 ILE 56 23.013 -1.602 9.028 430 HG23 ILE 56 3HG2 ILE 56 23.426 -1.070 10.677 431 HD11 ILE 56 1HD1 ILE 56 26.036 -1.627 11.499 432 HD12 ILE 56 2HD1 ILE 56 26.608 -3.039 12.413 433 HD13 ILE 56 3HD1 ILE 56 26.559 -3.095 10.636 434 H VAL 57 H VAL 57 22.812 -5.756 8.975 435 HA VAL 57 HA VAL 57 23.017 -7.718 11.210 436 HB VAL 57 HB VAL 57 21.256 -8.022 8.762 437 HG11 VAL 57 1HG1 VAL 57 20.531 -10.140 9.805 438 HG12 VAL 57 2HG1 VAL 57 22.196 -10.119 9.193 439 HG13 VAL 57 3HG1 VAL 57 21.884 -9.941 10.933 440 HG21 VAL 57 1HG2 VAL 57 20.121 -6.598 10.342 441 HG22 VAL 57 2HG2 VAL 57 19.372 -8.205 10.407 442 HG23 VAL 57 3HG2 VAL 57 20.526 -7.706 11.669 443 HA PRO 58 HA PRO 58 26.248 -8.789 8.332 444 HB2 PRO 58 1HB PRO 58 26.962 -11.289 9.208 445 HB3 PRO 58 2HB PRO 58 27.370 -9.797 10.112 446 HG2 PRO 58 1HG PRO 58 25.089 -11.696 10.562 447 HG3 PRO 58 2HG PRO 58 26.248 -11.022 11.749 448 HD2 PRO 58 1HD PRO 58 23.774 -9.979 11.372 449 HD3 PRO 58 2HD PRO 58 25.175 -8.954 11.772 450 H GLY 59 H GLY 59 25.673 -9.217 6.248 451 HA2 GLY 59 1HA GLY 59 23.434 -10.811 5.523 452 HA3 GLY 59 2HA GLY 59 24.726 -10.269 4.439 453 H ASN 60 H ASN 60 26.715 -11.670 6.222 454 HA ASN 60 HA ASN 60 26.889 -14.141 4.823 455 HB2 ASN 60 1HB ASN 60 28.675 -12.703 6.093 456 HB3 ASN 60 2HB ASN 60 28.191 -13.642 7.511 457 HD21 ASN 60 1HD2 ASN 60 30.923 -15.612 6.350 458 HD22 ASN 60 2HD2 ASN 60 30.486 -14.286 7.410 459 H ARG 61 H ARG 61 24.920 -13.288 7.528 460 HA ARG 61 HA ARG 61 24.526 -16.194 8.164 461 HB2 ARG 61 1HB ARG 61 24.051 -13.742 9.893 462 HB3 ARG 61 2HB ARG 61 23.676 -15.404 10.361 463 HG2 ARG 61 1HG ARG 61 26.078 -15.993 10.128 464 HG3 ARG 61 2HG ARG 61 26.445 -14.290 9.783 465 HD2 ARG 61 1HD ARG 61 25.545 -13.640 11.970 466 HD3 ARG 61 2HD ARG 61 25.126 -15.332 12.303 467 HE ARG 61 HE ARG 61 27.898 -15.200 11.654 468 HH11 ARG 61 1HH1 ARG 61 25.744 -14.219 14.294 469 HH12 ARG 61 2HH1 ARG 61 27.017 -14.361 15.480 470 HH21 ARG 61 1HH2 ARG 61 29.430 -15.342 13.196 471 HH22 ARG 61 2HH2 ARG 61 29.079 -14.966 14.872 472 H LEU 62 H LEU 62 23.255 -14.025 6.181 473 HA LEU 62 HA LEU 62 20.432 -14.692 6.919 474 HB2 LEU 62 1HB LEU 62 21.731 -12.180 5.997 475 HB3 LEU 62 2HB LEU 62 20.194 -12.573 5.243 476 HG LEU 62 HG LEU 62 20.667 -12.197 8.195 477 HD11 LEU 62 1HD1 LEU 62 19.307 -10.173 7.846 478 HD12 LEU 62 2HD1 LEU 62 19.176 -10.554 6.113 479 HD13 LEU 62 3HD1 LEU 62 20.757 -10.142 6.827 480 HD21 LEU 62 1HD2 LEU 62 18.172 -12.970 6.678 481 HD22 LEU 62 2HD2 LEU 62 18.123 -12.183 8.266 482 HD23 LEU 62 3HD2 LEU 62 18.909 -13.748 8.093 483 H LYS 63 H LYS 63 18.959 -15.072 5.349 484 HA LYS 63 HA LYS 63 20.051 -15.439 2.579 485 HB2 LYS 63 1HB LYS 63 19.762 -17.656 3.553 486 HB3 LYS 63 2HB LYS 63 18.116 -17.260 4.059 487 HG2 LYS 63 1HG LYS 63 17.425 -17.063 1.717 488 HG3 LYS 63 2HG LYS 63 19.074 -17.408 1.173 489 HD2 LYS 63 1HD LYS 63 17.486 -19.308 2.925 490 HD3 LYS 63 2HD LYS 63 17.387 -19.340 1.159 491 HE2 LYS 63 1HE LYS 63 19.949 -19.665 2.749 492 HE3 LYS 63 2HE LYS 63 18.986 -20.995 2.087 493 HZ1 LYS 63 1HZ LYS 63 20.278 -18.872 0.471 494 HZ2 LYS 63 2HZ LYS 63 19.387 -20.118 -0.133 495 HZ3 LYS 63 3HZ LYS 63 20.824 -20.419 0.623 496 H ILE 64 H ILE 64 19.093 -14.143 1.240 497 HA ILE 64 HA ILE 64 16.639 -12.757 1.873 498 HB ILE 64 HB ILE 64 18.008 -13.193 -0.824 499 HG12 ILE 64 1HG1 ILE 64 19.535 -12.120 0.776 500 HG13 ILE 64 2HG1 ILE 64 19.065 -11.045 -0.523 501 HG21 ILE 64 1HG2 ILE 64 15.781 -12.433 -1.205 502 HG22 ILE 64 2HG2 ILE 64 15.891 -11.256 0.117 503 HG23 ILE 64 3HG2 ILE 64 16.830 -11.008 -1.371 504 HD11 ILE 64 1HD1 ILE 64 19.115 -9.779 1.531 505 HD12 ILE 64 2HD1 ILE 64 17.425 -9.921 1.041 506 HD13 ILE 64 3HD1 ILE 64 18.064 -10.946 2.347 507 H LEU 65 H LEU 65 14.598 -13.491 1.622 508 HA LEU 65 HA LEU 65 14.244 -16.120 0.277 509 HB2 LEU 65 1HB LEU 65 12.294 -14.432 1.884 510 HB3 LEU 65 2HB LEU 65 12.039 -16.082 1.323 511 HG LEU 65 HG LEU 65 14.107 -15.204 3.366 512 HD11 LEU 65 1HD1 LEU 65 11.499 -16.734 3.664 513 HD12 LEU 65 2HD1 LEU 65 11.797 -15.052 4.160 514 HD13 LEU 65 3HD1 LEU 65 12.660 -16.369 4.958 515 HD21 LEU 65 1HD2 LEU 65 14.979 -17.145 2.191 516 HD22 LEU 65 2HD2 LEU 65 13.412 -17.985 2.319 517 HD23 LEU 65 3HD2 LEU 65 14.387 -17.673 3.776 518 H VAL 66 H VAL 66 14.409 -15.594 -1.872 519 HA VAL 66 HA VAL 66 12.947 -13.324 -2.976 520 HB VAL 66 HB VAL 66 14.363 -15.591 -4.471 521 HG11 VAL 66 1HG1 VAL 66 13.699 -12.723 -5.302 522 HG12 VAL 66 2HG1 VAL 66 14.562 -13.924 -6.287 523 HG13 VAL 66 3HG1 VAL 66 12.860 -14.185 -5.872 524 HG21 VAL 66 1HG2 VAL 66 15.977 -14.564 -2.935 525 HG22 VAL 66 2HG2 VAL 66 16.324 -14.038 -4.589 526 HG23 VAL 66 3HG2 VAL 66 15.493 -12.937 -3.467 527 H GLY 67 H GLY 67 10.920 -13.365 -3.836 528 HA2 GLY 67 1HA GLY 67 9.305 -15.730 -3.512 529 HA3 GLY 67 2HA GLY 67 8.809 -14.208 -4.273 530 H MET 68 H MET 68 7.830 -16.405 -5.368 531 HA MET 68 HA MET 68 7.442 -17.368 -7.395 532 HB2 MET 68 1HB MET 68 8.398 -15.160 -8.273 533 HB3 MET 68 2HB MET 68 9.896 -16.045 -8.575 534 HG2 MET 68 1HG MET 68 7.254 -16.984 -9.711 535 HG3 MET 68 2HG MET 68 8.231 -15.737 -10.503 536 HE1 MET 68 1HE MET 68 8.901 -16.779 -12.722 537 HE2 MET 68 2HE MET 68 9.247 -18.512 -12.930 538 HE3 MET 68 3HE MET 68 7.644 -17.989 -12.364 539 H TYR 69 H TYR 69 10.900 -17.382 -6.521 540 HA TYR 69 HA TYR 69 11.330 -20.063 -7.617 541 HB2 TYR 69 1HB TYR 69 13.037 -18.370 -5.752 542 HB3 TYR 69 2HB TYR 69 13.562 -19.809 -6.639 543 HD1 TYR 69 HD1 TYR 69 13.035 -16.213 -6.799 544 HD2 TYR 69 HD2 TYR 69 13.657 -19.726 -9.195 545 HE1 TYR 69 HE1 TYR 69 13.655 -14.776 -8.745 546 HE2 TYR 69 HE2 TYR 69 14.285 -18.283 -11.139 547 HH TYR 69 HH TYR 69 14.607 -16.142 -11.892 548 H ASP 70 H ASP 70 12.613 -21.536 -5.900 549 HA ASP 70 HA ASP 70 12.383 -23.050 -4.222 550 HB2 ASP 70 1HB ASP 70 11.751 -20.515 -2.674 551 HB3 ASP 70 2HB ASP 70 12.136 -22.078 -1.942 552 H LYS 71 H LYS 71 10.064 -22.748 -5.831 553 HA LYS 71 HA LYS 71 7.689 -22.867 -4.188 554 HB2 LYS 71 1HB LYS 71 7.814 -22.208 -6.602 555 HB3 LYS 71 2HB LYS 71 8.133 -23.899 -7.001 556 HG2 LYS 71 1HG LYS 71 5.926 -24.455 -5.838 557 HG3 LYS 71 2HG LYS 71 5.607 -22.710 -5.801 558 HD2 LYS 71 1HD LYS 71 6.194 -24.349 -8.296 559 HD3 LYS 71 2HD LYS 71 4.576 -23.862 -7.755 560 HE2 LYS 71 1HE LYS 71 5.248 -21.464 -7.962 561 HE3 LYS 71 2HE LYS 71 6.841 -21.974 -8.554 562 HZ1 LYS 71 1HZ LYS 71 4.258 -22.539 -9.896 563 HZ2 LYS 71 2HZ LYS 71 5.737 -23.030 -10.435 564 HZ3 LYS 71 3HZ LYS 71 5.378 -21.422 -10.374 565 H LYS 72 H LYS 72 7.817 -24.366 -2.633 566 HA LYS 72 HA LYS 72 7.467 -26.408 -1.624 567 HB2 LYS 72 1HB LYS 72 7.593 -27.706 -4.378 568 HB3 LYS 72 2HB LYS 72 7.104 -28.488 -2.889 569 HG2 LYS 72 1HG LYS 72 5.147 -27.014 -2.714 570 HG3 LYS 72 2HG LYS 72 5.631 -26.183 -4.209 571 HD2 LYS 72 1HD LYS 72 5.497 -28.336 -5.436 572 HD3 LYS 72 2HD LYS 72 4.920 -29.128 -3.958 573 HE2 LYS 72 1HE LYS 72 3.528 -26.798 -5.343 574 HE3 LYS 72 2HE LYS 72 3.091 -28.503 -5.557 575 HZ1 LYS 72 1HZ LYS 72 2.986 -27.032 -2.986 576 HZ2 LYS 72 2HZ LYS 72 2.575 -28.614 -3.197 577 HZ3 LYS 72 3HZ LYS 72 1.682 -27.431 -3.917 578 HA PRO 73 HA PRO 73 11.653 -27.450 -1.107 579 HB2 PRO 73 1HB PRO 73 11.698 -29.766 0.308 580 HB3 PRO 73 2HB PRO 73 10.944 -28.282 0.961 581 HG2 PRO 73 1HG PRO 73 9.642 -30.579 -0.469 582 HG3 PRO 73 2HG PRO 73 9.239 -29.872 1.130 583 HD2 PRO 73 1HD PRO 73 7.917 -29.146 -1.114 584 HD3 PRO 73 2HD PRO 73 8.285 -27.952 0.179 585 H ALA 74 H ALA 74 11.021 -28.062 -3.767 586 HA ALA 74 HA ALA 74 11.929 -30.740 -4.465 587 HB1 ALA 74 1HB ALA 74 11.824 -28.146 -6.092 588 HB2 ALA 74 2HB ALA 74 12.108 -29.771 -6.760 589 HB3 ALA 74 3HB ALA 74 10.538 -29.376 -6.020 590 H GLY 75 H GLY 75 14.058 -31.377 -4.836 591 HA2 GLY 75 1HA GLY 75 16.363 -31.162 -5.044 592 HA3 GLY 75 2HA GLY 75 16.202 -29.404 -4.970 593 H SER 76 H SER 76 15.017 -28.944 -2.518 594 HA SER 76 HA SER 76 17.250 -29.480 -0.732 595 HB2 SER 76 1HB SER 76 15.916 -28.224 0.914 596 HB3 SER 76 2HB SER 76 15.995 -27.369 -0.646 597 HG SER 76 HG SER 76 13.866 -27.540 0.389 598 H GLY 77 H GLY 77 14.147 -30.997 -1.346 599 HA2 GLY 77 1HA GLY 77 13.532 -33.140 -0.670 600 HA3 GLY 77 2HA GLY 77 14.910 -33.189 0.435 601 H GLY 78 H GLY 78 14.364 -30.840 1.941 602 HA2 GLY 78 1HA GLY 78 11.715 -30.710 2.962 603 HA3 GLY 78 2HA GLY 78 12.613 -31.933 3.888 604 H SER 79 H SER 79 13.143 -31.006 5.790 605 HA SER 79 HA SER 79 14.883 -28.609 5.673 606 HB2 SER 79 1HB SER 79 12.477 -28.900 7.531 607 HB3 SER 79 2HB SER 79 13.696 -27.607 7.606 608 HG SER 79 HG SER 79 12.742 -27.824 5.096 609 H GLY 80 H GLY 80 16.427 -28.645 7.382 610 HA2 GLY 80 1HA GLY 80 16.571 -31.305 8.721 611 HA3 GLY 80 2HA GLY 80 17.956 -30.297 8.282 612 H SER 81 H SER 81 17.240 -31.463 10.883 613 HA SER 81 HA SER 81 17.466 -28.988 12.485 614 HB2 SER 81 1HB SER 81 15.015 -29.477 12.351 615 HB3 SER 81 2HB SER 81 15.319 -31.094 13.014 616 HG SER 81 HG SER 81 16.037 -30.160 14.907 617 H GLY 82 H GLY 82 19.652 -30.268 12.249 618 HA2 GLY 82 1HA GLY 82 19.909 -32.787 13.572 619 HA3 GLY 82 2HA GLY 82 21.230 -31.677 13.174 620 H LEU 83 H LEU 83 20.411 -29.452 14.690 621 HA LEU 83 HA LEU 83 20.688 -28.544 16.769 622 HB2 LEU 83 1HB LEU 83 19.017 -30.917 17.633 623 HB3 LEU 83 2HB LEU 83 19.237 -29.424 18.535 624 HG LEU 83 HG LEU 83 17.865 -29.599 15.832 625 HD11 LEU 83 1HD1 LEU 83 16.619 -30.840 17.539 626 HD12 LEU 83 2HD1 LEU 83 15.776 -29.332 17.125 627 HD13 LEU 83 3HD1 LEU 83 16.704 -29.442 18.638 628 HD21 LEU 83 1HD2 LEU 83 18.785 -27.373 16.283 629 HD22 LEU 83 2HD2 LEU 83 18.016 -27.359 17.883 630 HD23 LEU 83 3HD2 LEU 83 17.016 -27.348 16.411 631 H THR 84 H THR 84 22.862 -30.299 16.019 632 HA THR 84 HA THR 84 23.591 -31.512 18.637 633 HB THR 84 HB THR 84 25.105 -31.852 16.024 634 HG1 THR 84 HG1 THR 84 22.665 -32.925 16.844 635 HG21 THR 84 1HG2 THR 84 24.782 -33.606 18.491 636 HG22 THR 84 2HG2 THR 84 26.214 -32.623 18.095 637 HG23 THR 84 3HG2 THR 84 25.758 -33.988 17.054 638 H ASP 85 H ASP 85 25.227 -29.741 15.954 639 HA ASP 85 HA ASP 85 26.290 -27.731 17.782 640 HB2 ASP 85 1HB ASP 85 27.908 -29.748 17.911 641 HB3 ASP 85 2HB ASP 85 28.228 -29.462 16.193 642 H GLU 86 H GLU 86 26.979 -25.926 16.474 643 HA GLU 86 HA GLU 86 27.123 -26.140 13.584 644 HB2 GLU 86 1HB GLU 86 24.629 -26.194 13.991 645 HB3 GLU 86 2HB GLU 86 24.761 -24.587 14.704 646 HG2 GLU 86 1HG GLU 86 25.612 -23.701 12.573 647 HG3 GLU 86 2HG GLU 86 25.571 -25.330 11.872 648 H LEU 87 H LEU 87 28.857 -24.824 13.303 649 HA LEU 87 HA LEU 87 29.166 -22.482 15.073 650 HB2 LEU 87 1HB LEU 87 30.991 -23.623 12.937 651 HB3 LEU 87 2HB LEU 87 31.386 -22.282 14.013 652 HG LEU 87 HG LEU 87 30.853 -25.147 14.889 653 HD11 LEU 87 1HD1 LEU 87 33.448 -23.562 14.725 654 HD12 LEU 87 2HD1 LEU 87 32.951 -24.859 13.612 655 HD13 LEU 87 3HD1 LEU 87 33.262 -25.230 15.321 656 HD21 LEU 87 1HD2 LEU 87 31.754 -22.705 16.484 657 HD22 LEU 87 2HD2 LEU 87 31.783 -24.385 17.079 658 HD23 LEU 87 3HD2 LEU 87 30.236 -23.622 16.686 659 H ALA 88 H ALA 88 28.417 -20.569 14.519 660 HA ALA 88 HA ALA 88 27.436 -20.044 11.858 661 HB1 ALA 88 1HB ALA 88 27.889 -18.130 14.190 662 HB2 ALA 88 2HB ALA 88 26.886 -17.828 12.749 663 HB3 ALA 88 3HB ALA 88 26.411 -19.087 13.909 664 HA PRO 89 HA PRO 89 31.229 -18.540 10.237 665 HB2 PRO 89 1HB PRO 89 30.448 -17.037 8.118 666 HB3 PRO 89 2HB PRO 89 30.190 -18.808 8.153 667 HG2 PRO 89 1HG PRO 89 28.270 -16.611 8.872 668 HG3 PRO 89 2HG PRO 89 28.043 -17.978 7.734 669 HD2 PRO 89 1HD PRO 89 27.152 -18.104 10.281 670 HD3 PRO 89 2HD PRO 89 27.854 -19.547 9.466 671 HA PRO 90 HA PRO 90 32.150 -14.625 12.029 672 HB2 PRO 90 1HB PRO 90 33.764 -13.946 9.579 673 HB3 PRO 90 2HB PRO 90 34.265 -13.958 11.298 674 HG2 PRO 90 1HG PRO 90 35.065 -15.882 9.692 675 HG3 PRO 90 2HG PRO 90 34.466 -16.283 11.335 676 HD2 PRO 90 1HD PRO 90 33.004 -16.450 8.694 677 HD3 PRO 90 2HD PRO 90 33.128 -17.669 10.013 678 H LYS 91 H LYS 91 31.821 -12.347 11.937 679 HA LYS 91 HA LYS 91 29.804 -11.474 9.968 680 HB2 LYS 91 1HB LYS 91 31.122 -10.032 12.311 681 HB3 LYS 91 2HB LYS 91 29.749 -9.437 11.380 682 HG2 LYS 91 1HG LYS 91 28.407 -11.391 12.194 683 HG3 LYS 91 2HG LYS 91 29.792 -11.874 13.195 684 HD2 LYS 91 1HD LYS 91 29.729 -9.656 14.315 685 HD3 LYS 91 2HD LYS 91 28.309 -9.228 13.346 686 HE2 LYS 91 1HE LYS 91 27.043 -11.070 14.353 687 HE3 LYS 91 2HE LYS 91 28.470 -11.515 15.326 688 HZ1 LYS 91 1HZ LYS 91 28.395 -9.365 16.361 689 HZ2 LYS 91 2HZ LYS 91 26.916 -10.083 16.546 690 HZ3 LYS 91 3HZ LYS 91 27.109 -8.884 15.427 691 HA PRO 92 HA PRO 92 33.011 -9.246 7.736 692 HB2 PRO 92 1HB PRO 92 31.612 -7.107 6.719 693 HB3 PRO 92 2HB PRO 92 31.463 -8.765 6.061 694 HG2 PRO 92 1HG PRO 92 29.682 -7.313 7.934 695 HG3 PRO 92 2HG PRO 92 29.265 -8.320 6.531 696 HD2 PRO 92 1HD PRO 92 29.159 -9.173 9.124 697 HD3 PRO 92 2HD PRO 92 29.484 -10.273 7.740 698 HA PRO 93 HA PRO 93 34.278 -6.360 10.778 699 HB2 PRO 93 1HB PRO 93 35.938 -4.610 9.518 700 HB3 PRO 93 2HB PRO 93 36.341 -6.352 9.668 701 HG2 PRO 93 1HG PRO 93 35.050 -4.906 7.375 702 HG3 PRO 93 2HG PRO 93 36.498 -5.966 7.371 703 HD2 PRO 93 1HD PRO 93 34.057 -6.908 6.717 704 HD3 PRO 93 2HD PRO 93 35.211 -7.911 7.669 705 H LEU 94 H LEU 94 34.507 -3.964 11.360 706 HA LEU 94 HA LEU 94 32.449 -2.288 10.034 707 HB2 LEU 94 1HB LEU 94 32.622 -3.102 12.940 708 HB3 LEU 94 2HB LEU 94 31.976 -1.523 12.514 709 HG LEU 94 HG LEU 94 30.844 -4.189 11.593 710 HD11 LEU 94 1HD1 LEU 94 28.984 -3.637 13.038 711 HD12 LEU 94 2HD1 LEU 94 29.768 -2.106 13.506 712 HD13 LEU 94 3HD1 LEU 94 30.498 -3.673 13.974 713 HD21 LEU 94 1HD2 LEU 94 29.824 -1.346 11.161 714 HD22 LEU 94 2HD2 LEU 94 28.922 -2.833 10.796 715 HD23 LEU 94 3HD2 LEU 94 30.399 -2.471 9.905 716 HA PRO 95 HA PRO 95 35.558 0.817 10.394 717 HB2 PRO 95 1HB PRO 95 34.089 3.109 10.372 718 HB3 PRO 95 2HB PRO 95 34.061 1.974 8.991 719 HG2 PRO 95 1HG PRO 95 32.150 2.159 11.305 720 HG3 PRO 95 2HG PRO 95 31.804 2.225 9.550 721 HD2 PRO 95 1HD PRO 95 31.586 -0.075 10.923 722 HD3 PRO 95 2HD PRO 95 32.234 -0.052 9.253 723 H GLU 96 H GLU 96 35.500 3.262 11.627 724 HA GLU 96 HA GLU 96 35.866 4.426 13.435 725 HB2 GLU 96 1HB GLU 96 33.541 3.475 14.042 726 HB3 GLU 96 2HB GLU 96 34.434 2.486 15.196 727 HG2 GLU 96 1HG GLU 96 35.373 4.580 16.156 728 HG3 GLU 96 2HG GLU 96 34.360 5.514 15.054 729 H GLY 97 H GLY 97 37.083 1.539 12.934 730 HA2 GLY 97 1HA GLY 97 39.612 1.980 13.521 731 HA3 GLY 97 2HA GLY 97 39.038 1.732 15.162 732 H GLU 98 H GLU 98 39.598 0.198 12.047 733 HA GLU 98 HA GLU 98 39.088 -2.482 13.063 734 HB2 GLU 98 1HB GLU 98 40.564 -1.498 10.593 735 HB3 GLU 98 2HB GLU 98 40.259 -3.198 10.975 736 HG2 GLU 98 1HG GLU 98 37.797 -2.660 11.015 737 HG3 GLU 98 2HG GLU 98 38.207 -1.054 10.379 738 H VAL 99 H VAL 99 40.416 -3.744 14.166 739 HA VAL 99 HA VAL 99 43.282 -2.973 14.452 740 HB VAL 99 HB VAL 99 43.189 -3.947 16.741 741 HG11 VAL 99 1HG1 VAL 99 42.855 -1.469 16.356 742 HG12 VAL 99 2HG1 VAL 99 41.103 -1.716 16.313 743 HG13 VAL 99 3HG1 VAL 99 42.006 -2.038 17.801 744 HG21 VAL 99 1HG2 VAL 99 41.202 -5.497 16.408 745 HG22 VAL 99 2HG2 VAL 99 41.028 -4.463 17.830 746 HG23 VAL 99 3HG2 VAL 99 40.132 -4.080 16.355 747 HXT VAL 99 H02 VAL 99 42.542 -6.594 13.502 Start of MODEL 12 1 H2 GLY 1 2H0 GLY 1 8.766 9.119 -6.339 2 H GLY 1 1H0 GLY 1 8.998 7.509 -6.158 3 HA2 GLY 1 1HA GLY 1 9.628 8.602 -4.110 4 HA3 GLY 1 2HA GLY 1 8.030 9.392 -4.052 5 H SER 2 H SER 2 7.181 6.732 -5.257 6 HA SER 2 HA SER 2 6.284 5.461 -2.778 7 HB2 SER 2 1HB SER 2 5.227 3.849 -4.372 8 HB3 SER 2 2HB SER 2 4.811 5.539 -4.724 9 HG SER 2 HG SER 2 6.911 4.111 -6.015 10 H MET 3 H MET 3 6.572 3.074 -2.491 11 HA MET 3 HA MET 3 7.885 1.253 -2.121 12 HB2 MET 3 1HB MET 3 7.632 1.451 -4.769 13 HB3 MET 3 2HB MET 3 9.387 1.623 -4.683 14 HG2 MET 3 1HG MET 3 8.877 -0.698 -5.006 15 HG3 MET 3 2HG MET 3 9.458 -0.497 -3.338 16 HE1 MET 3 1HE MET 3 5.966 -0.124 -5.313 17 HE2 MET 3 2HE MET 3 6.641 -1.733 -5.652 18 HE3 MET 3 3HE MET 3 5.159 -1.574 -4.682 19 H LYS 4 H LYS 4 8.836 3.363 -0.729 20 HA LYS 4 HA LYS 4 11.683 3.756 -1.039 21 HB2 LYS 4 1HB LYS 4 10.057 5.128 0.393 22 HB3 LYS 4 2HB LYS 4 10.113 3.799 1.560 23 HG2 LYS 4 1HG LYS 4 12.582 4.108 1.723 24 HG3 LYS 4 2HG LYS 4 12.440 5.511 0.641 25 HD2 LYS 4 1HD LYS 4 10.865 6.564 2.265 26 HD3 LYS 4 2HD LYS 4 11.075 5.168 3.335 27 HE2 LYS 4 1HE LYS 4 12.507 6.926 4.135 28 HE3 LYS 4 2HE LYS 4 13.531 5.673 3.410 29 HZ1 LYS 4 1HZ LYS 4 12.741 8.190 2.058 30 HZ2 LYS 4 2HZ LYS 4 13.738 7.021 1.439 31 HZ3 LYS 4 3HZ LYS 4 14.211 7.903 2.752 32 H TYR 5 H TYR 5 13.322 2.447 -0.390 33 HA TYR 5 HA TYR 5 14.511 0.695 0.248 34 HB2 TYR 5 1HB TYR 5 12.345 0.462 2.309 35 HB3 TYR 5 2HB TYR 5 13.752 -0.564 2.278 36 HD1 TYR 5 HD1 TYR 5 12.421 2.244 3.789 37 HD2 TYR 5 HD2 TYR 5 16.094 0.890 1.986 38 HE1 TYR 5 HE1 TYR 5 13.699 3.937 5.089 39 HE2 TYR 5 HE2 TYR 5 17.347 2.600 3.267 40 HH TYR 5 HH TYR 5 15.799 4.722 5.666 41 H LEU 6 H LEU 6 14.731 -1.635 0.438 42 HA LEU 6 HA LEU 6 13.447 -2.844 -1.832 43 HB2 LEU 6 1HB LEU 6 15.048 -4.134 0.404 44 HB3 LEU 6 2HB LEU 6 14.689 -4.847 -1.150 45 HG LEU 6 HG LEU 6 16.496 -2.466 -0.740 46 HD11 LEU 6 1HD1 LEU 6 17.414 -4.539 0.238 47 HD12 LEU 6 2HD1 LEU 6 18.316 -4.076 -1.215 48 HD13 LEU 6 3HD1 LEU 6 17.138 -5.401 -1.293 49 HD21 LEU 6 1HD2 LEU 6 15.473 -2.451 -2.975 50 HD22 LEU 6 2HD2 LEU 6 15.944 -4.154 -3.220 51 HD23 LEU 6 3HD2 LEU 6 17.188 -2.889 -3.080 52 H ASN 7 H ASN 7 13.075 -3.317 1.669 53 HA ASN 7 HA ASN 7 11.598 -4.487 2.937 54 HB2 ASN 7 1HB ASN 7 9.741 -3.554 0.739 55 HB3 ASN 7 2HB ASN 7 9.191 -4.329 2.228 56 HD21 ASN 7 1HD2 ASN 7 10.076 -0.447 2.203 57 HD22 ASN 7 2HD2 ASN 7 10.029 -1.428 0.769 58 H VAL 8 H VAL 8 13.100 -6.288 1.701 59 HA VAL 8 HA VAL 8 11.206 -8.367 0.689 60 HB VAL 8 HB VAL 8 12.911 -9.276 -0.567 61 HG11 VAL 8 1HG1 VAL 8 12.958 -6.801 -1.070 62 HG12 VAL 8 2HG1 VAL 8 14.379 -6.681 0.011 63 HG13 VAL 8 3HG1 VAL 8 14.449 -7.676 -1.465 64 HG21 VAL 8 1HG2 VAL 8 15.341 -9.249 0.165 65 HG22 VAL 8 2HG2 VAL 8 14.779 -8.585 1.701 66 HG23 VAL 8 3HG2 VAL 8 14.230 -10.186 1.171 67 H LEU 9 H LEU 9 11.480 -10.547 1.696 68 HA LEU 9 HA LEU 9 12.068 -10.204 4.587 69 HB2 LEU 9 1HB LEU 9 10.710 -12.473 3.102 70 HB3 LEU 9 2HB LEU 9 10.938 -12.368 4.848 71 HG LEU 9 HG LEU 9 9.219 -10.502 3.155 72 HD11 LEU 9 1HD1 LEU 9 8.491 -12.678 5.162 73 HD12 LEU 9 2HD1 LEU 9 8.317 -12.781 3.389 74 HD13 LEU 9 3HD1 LEU 9 7.352 -11.611 4.311 75 HD21 LEU 9 1HD2 LEU 9 10.088 -9.279 5.076 76 HD22 LEU 9 2HD2 LEU 9 9.657 -10.613 6.167 77 HD23 LEU 9 3HD2 LEU 9 8.385 -9.675 5.362 78 H ALA 10 H ALA 10 13.657 -11.381 5.631 79 HA ALA 10 HA ALA 10 15.180 -13.342 3.960 80 HB1 ALA 10 1HB ALA 10 17.283 -12.427 4.803 81 HB2 ALA 10 2HB ALA 10 16.361 -11.182 3.936 82 HB3 ALA 10 3HB ALA 10 16.394 -11.168 5.714 83 H LYS 11 H LYS 11 15.887 -15.124 5.079 84 HA LYS 11 HA LYS 11 14.915 -15.339 7.897 85 HB2 LYS 11 1HB LYS 11 13.989 -17.008 6.434 86 HB3 LYS 11 2HB LYS 11 15.583 -17.458 5.824 87 HG2 LYS 11 1HG LYS 11 16.193 -18.492 7.865 88 HG3 LYS 11 2HG LYS 11 14.897 -17.692 8.768 89 HD2 LYS 11 1HD LYS 11 14.339 -19.708 6.584 90 HD3 LYS 11 2HD LYS 11 14.632 -20.168 8.274 91 HE2 LYS 11 1HE LYS 11 12.805 -18.473 8.898 92 HE3 LYS 11 2HE LYS 11 12.391 -18.443 7.179 93 HZ1 LYS 11 1HZ LYS 11 12.364 -20.841 8.905 94 HZ2 LYS 11 2HZ LYS 11 11.929 -20.802 7.312 95 HZ3 LYS 11 3HZ LYS 11 11.030 -19.988 8.435 96 H ALA 12 H ALA 12 16.283 -15.718 9.521 97 HA ALA 12 HA ALA 12 19.143 -15.509 9.099 98 HB1 ALA 12 1HB ALA 12 17.441 -16.223 11.527 99 HB2 ALA 12 2HB ALA 12 19.197 -15.939 11.571 100 HB3 ALA 12 3HB ALA 12 18.097 -14.626 11.110 101 H LEU 13 H LEU 13 20.615 -17.129 8.751 102 HA LEU 13 HA LEU 13 19.636 -19.936 8.857 103 HB2 LEU 13 1HB LEU 13 22.321 -18.763 8.122 104 HB3 LEU 13 2HB LEU 13 21.927 -20.461 8.045 105 HG LEU 13 HG LEU 13 21.816 -19.969 5.892 106 HD11 LEU 13 1HD1 LEU 13 19.021 -18.954 6.528 107 HD12 LEU 13 2HD1 LEU 13 19.493 -20.681 6.511 108 HD13 LEU 13 3HD1 LEU 13 19.601 -19.717 5.029 109 HD21 LEU 13 1HD2 LEU 13 20.753 -17.214 6.422 110 HD22 LEU 13 2HD2 LEU 13 21.411 -17.853 4.897 111 HD23 LEU 13 3HD2 LEU 13 22.477 -17.636 6.288 112 H TYR 14 H TYR 14 21.317 -17.627 10.761 113 HA TYR 14 HA TYR 14 22.119 -19.716 12.713 114 HB2 TYR 14 1HB TYR 14 23.931 -17.462 11.766 115 HB3 TYR 14 2HB TYR 14 24.313 -18.696 12.975 116 HD1 TYR 14 HD1 TYR 14 24.630 -21.112 12.250 117 HD2 TYR 14 HD2 TYR 14 24.155 -17.925 9.402 118 HE1 TYR 14 HE1 TYR 14 25.515 -22.576 10.459 119 HE2 TYR 14 HE2 TYR 14 25.021 -19.421 7.599 120 HH TYR 14 HH TYR 14 26.006 -22.782 8.254 121 H ASP 15 H ASP 15 22.636 -18.680 14.834 122 HA ASP 15 HA ASP 15 20.785 -16.548 15.525 123 HB2 ASP 15 1HB ASP 15 23.062 -17.977 16.956 124 HB3 ASP 15 2HB ASP 15 22.243 -16.579 17.678 125 H ASN 16 H ASN 16 21.393 -14.432 16.297 126 HA ASN 16 HA ASN 16 24.216 -13.663 15.807 127 HB2 ASN 16 1HB ASN 16 22.732 -12.965 13.828 128 HB3 ASN 16 2HB ASN 16 21.976 -11.822 14.950 129 HD21 ASN 16 1HD2 ASN 16 24.494 -9.458 14.466 130 HD22 ASN 16 2HD2 ASN 16 22.802 -9.830 14.787 131 H VAL 17 H VAL 17 24.999 -12.507 17.440 132 HA VAL 17 HA VAL 17 23.061 -11.373 19.412 133 HB VAL 17 HB VAL 17 25.985 -12.194 19.785 134 HG11 VAL 17 1HG1 VAL 17 23.953 -11.056 21.774 135 HG12 VAL 17 2HG1 VAL 17 25.577 -11.663 22.185 136 HG13 VAL 17 3HG1 VAL 17 25.409 -10.224 21.152 137 HG21 VAL 17 1HG2 VAL 17 25.070 -13.923 21.325 138 HG22 VAL 17 2HG2 VAL 17 23.409 -13.442 20.870 139 HG23 VAL 17 3HG2 VAL 17 24.500 -14.161 19.662 140 H ALA 18 H ALA 18 22.997 -9.236 19.358 141 HA ALA 18 HA ALA 18 24.557 -7.794 17.415 142 HB1 ALA 18 1HB ALA 18 22.646 -6.858 19.598 143 HB2 ALA 18 2HB ALA 18 23.317 -5.826 18.320 144 HB3 ALA 18 3HB ALA 18 22.229 -7.173 17.889 145 H GLU 19 H GLU 19 26.488 -6.929 17.689 146 HA GLU 19 HA GLU 19 27.562 -6.653 20.494 147 HB2 GLU 19 1HB GLU 19 28.933 -6.836 17.777 148 HB3 GLU 19 2HB GLU 19 29.768 -6.631 19.325 149 HG2 GLU 19 1HG GLU 19 28.878 -8.813 20.073 150 HG3 GLU 19 2HG GLU 19 28.032 -8.995 18.535 151 H SER 20 H SER 20 26.511 -5.031 17.658 152 HA SER 20 HA SER 20 27.812 -2.474 18.513 153 HB2 SER 20 1HB SER 20 26.430 -3.032 15.873 154 HB3 SER 20 2HB SER 20 27.639 -1.786 16.249 155 HG SER 20 HG SER 20 28.023 -4.606 16.134 156 HA PRO 21 HA PRO 21 23.837 -1.033 19.696 157 HB2 PRO 21 1HB PRO 21 24.004 1.663 19.226 158 HB3 PRO 21 2HB PRO 21 24.911 0.850 20.537 159 HG2 PRO 21 1HG PRO 21 25.840 1.609 17.782 160 HG3 PRO 21 2HG PRO 21 26.636 1.894 19.355 161 HD2 PRO 21 1HD PRO 21 27.356 -0.127 17.778 162 HD3 PRO 21 2HD PRO 21 27.335 -0.285 19.574 163 H ASP 22 H ASP 22 24.986 -0.684 16.455 164 HA ASP 22 HA ASP 22 22.361 0.193 15.414 165 HB2 ASP 22 1HB ASP 22 25.087 -0.312 14.152 166 HB3 ASP 22 2HB ASP 22 23.631 0.101 13.233 167 H GLU 23 H GLU 23 23.729 -2.713 16.367 168 HA GLU 23 HA GLU 23 22.950 -4.200 13.934 169 HB2 GLU 23 1HB GLU 23 25.194 -4.458 15.046 170 HB3 GLU 23 2HB GLU 23 24.362 -5.170 16.424 171 HG2 GLU 23 1HG GLU 23 23.566 -6.998 14.981 172 HG3 GLU 23 2HG GLU 23 24.353 -6.240 13.595 173 H LEU 24 H LEU 24 21.560 -5.978 13.931 174 HA LEU 24 HA LEU 24 19.590 -5.995 16.151 175 HB2 LEU 24 1HB LEU 24 19.588 -7.217 13.390 176 HB3 LEU 24 2HB LEU 24 18.341 -7.542 14.589 177 HG LEU 24 HG LEU 24 19.001 -4.812 13.426 178 HD11 LEU 24 1HD1 LEU 24 18.021 -6.241 11.746 179 HD12 LEU 24 2HD1 LEU 24 16.789 -5.090 12.290 180 HD13 LEU 24 3HD1 LEU 24 16.749 -6.770 12.874 181 HD21 LEU 24 1HD2 LEU 24 18.104 -4.549 15.649 182 HD22 LEU 24 2HD2 LEU 24 16.804 -5.724 15.320 183 HD23 LEU 24 3HD2 LEU 24 16.831 -4.159 14.485 184 H SER 25 H SER 25 19.055 -7.756 17.320 185 HA SER 25 HA SER 25 20.880 -10.098 17.134 186 HB2 SER 25 1HB SER 25 19.912 -10.419 19.553 187 HB3 SER 25 2HB SER 25 21.186 -9.213 19.275 188 HG SER 25 HG SER 25 19.414 -8.376 20.498 189 H PHE 26 H PHE 26 19.995 -11.981 16.702 190 HA PHE 26 HA PHE 26 17.128 -12.501 17.102 191 HB2 PHE 26 1HB PHE 26 16.770 -13.090 14.696 192 HB3 PHE 26 2HB PHE 26 16.962 -11.371 15.012 193 HD1 PHE 26 HD1 PHE 26 18.540 -10.091 13.894 194 HD2 PHE 26 HD2 PHE 26 18.867 -14.384 13.849 195 HE1 PHE 26 HE1 PHE 26 20.318 -9.938 12.182 196 HE2 PHE 26 HE2 PHE 26 20.673 -14.236 12.157 197 HZ PHE 26 HZ PHE 26 21.385 -12.023 11.306 198 H ARG 27 H ARG 27 16.519 -14.669 16.145 199 HA ARG 27 HA ARG 27 18.627 -16.640 16.911 200 HB2 ARG 27 1HB ARG 27 16.353 -16.423 18.097 201 HB3 ARG 27 2HB ARG 27 15.613 -16.946 16.582 202 HG2 ARG 27 1HG ARG 27 15.639 -18.866 17.905 203 HG3 ARG 27 2HG ARG 27 17.044 -19.101 16.858 204 HD2 ARG 27 1HD ARG 27 18.548 -18.429 18.644 205 HD3 ARG 27 2HD ARG 27 17.189 -17.905 19.645 206 HE ARG 27 HE ARG 27 16.613 -20.146 20.087 207 HH11 ARG 27 1HH1 ARG 27 19.553 -20.019 18.097 208 HH12 ARG 27 2HH1 ARG 27 19.919 -21.696 18.428 209 HH21 ARG 27 1HH2 ARG 27 17.184 -22.247 20.440 210 HH22 ARG 27 2HH2 ARG 27 18.626 -22.914 19.728 211 H LYS 28 H LYS 28 18.845 -18.565 15.616 212 HA LYS 28 HA LYS 28 18.677 -18.371 12.781 213 HB2 LYS 28 1HB LYS 28 20.033 -20.060 13.951 214 HB3 LYS 28 2HB LYS 28 18.581 -20.759 14.671 215 HG2 LYS 28 1HG LYS 28 17.800 -21.511 12.494 216 HG3 LYS 28 2HG LYS 28 19.146 -20.702 11.702 217 HD2 LYS 28 1HD LYS 28 20.729 -22.145 12.951 218 HD3 LYS 28 2HD LYS 28 19.359 -22.999 13.692 219 HE2 LYS 28 1HE LYS 28 18.599 -23.744 11.493 220 HE3 LYS 28 2HE LYS 28 19.874 -22.791 10.693 221 HZ1 LYS 28 1HZ LYS 28 21.513 -24.124 11.648 222 HZ2 LYS 28 2HZ LYS 28 20.419 -25.158 11.007 223 HZ3 LYS 28 3HZ LYS 28 20.452 -24.917 12.632 224 H GLY 29 H GLY 29 17.047 -18.588 11.381 225 HA2 GLY 29 1HA GLY 29 15.029 -19.508 10.604 226 HA3 GLY 29 2HA GLY 29 14.560 -19.932 12.246 227 H ASP 30 H ASP 30 15.562 -16.854 12.689 228 HA ASP 30 HA ASP 30 12.856 -15.860 12.790 229 HB2 ASP 30 1HB ASP 30 15.047 -15.273 14.176 230 HB3 ASP 30 2HB ASP 30 15.261 -14.049 12.909 231 H ILE 31 H ILE 31 12.157 -13.818 11.752 232 HA ILE 31 HA ILE 31 13.253 -13.595 8.949 233 HB ILE 31 HB ILE 31 10.345 -13.294 9.863 234 HG12 ILE 31 1HG1 ILE 31 10.953 -15.641 9.789 235 HG13 ILE 31 2HG1 ILE 31 9.893 -15.237 8.446 236 HG21 ILE 31 1HG2 ILE 31 11.692 -12.899 7.145 237 HG22 ILE 31 2HG2 ILE 31 9.934 -13.141 7.324 238 HG23 ILE 31 3HG2 ILE 31 10.716 -11.734 8.066 239 HD11 ILE 31 1HD1 ILE 31 11.434 -16.601 7.436 240 HD12 ILE 31 2HD1 ILE 31 12.109 -15.009 7.061 241 HD13 ILE 31 3HD1 ILE 31 12.789 -15.969 8.396 242 H MET 32 H MET 32 14.025 -11.662 8.501 243 HA MET 32 HA MET 32 12.810 -9.306 9.886 244 HB2 MET 32 1HB MET 32 15.024 -8.208 9.722 245 HB3 MET 32 2HB MET 32 15.004 -9.610 10.787 246 HG2 MET 32 1HG MET 32 15.761 -10.754 8.423 247 HG3 MET 32 2HG MET 32 16.518 -9.164 8.320 248 HE1 MET 32 1HE MET 32 17.304 -12.404 11.558 249 HE2 MET 32 2HE MET 32 15.710 -11.628 11.474 250 HE3 MET 32 3HE MET 32 16.297 -12.613 10.106 251 H THR 33 H THR 33 12.672 -7.427 8.718 252 HA THR 33 HA THR 33 12.270 -7.872 5.811 253 HB THR 33 HB THR 33 11.748 -5.444 7.595 254 HG1 THR 33 HG1 THR 33 9.552 -6.182 7.307 255 HG21 THR 33 1HG2 THR 33 12.003 -4.752 5.291 256 HG22 THR 33 2HG2 THR 33 10.281 -4.720 5.730 257 HG23 THR 33 3HG2 THR 33 10.912 -6.061 4.743 258 H VAL 34 H VAL 34 14.009 -7.574 4.491 259 HA VAL 34 HA VAL 34 16.264 -5.915 5.370 260 HB VAL 34 HB VAL 34 15.806 -7.199 2.674 261 HG11 VAL 34 1HG1 VAL 34 17.533 -5.480 2.582 262 HG12 VAL 34 2HG1 VAL 34 18.322 -6.158 4.023 263 HG13 VAL 34 3HG1 VAL 34 18.290 -7.085 2.502 264 HG21 VAL 34 1HG2 VAL 34 15.730 -8.940 4.315 265 HG22 VAL 34 2HG2 VAL 34 17.328 -8.970 3.552 266 HG23 VAL 34 3HG2 VAL 34 17.145 -8.263 5.163 267 H LEU 35 H LEU 35 16.395 -3.824 5.074 268 HA LEU 35 HA LEU 35 14.420 -2.501 3.311 269 HB2 LEU 35 1HB LEU 35 16.403 -1.452 5.351 270 HB3 LEU 35 2HB LEU 35 15.221 -0.469 4.489 271 HG LEU 35 HG LEU 35 14.492 -2.775 6.335 272 HD11 LEU 35 1HD1 LEU 35 15.614 -1.114 7.600 273 HD12 LEU 35 2HD1 LEU 35 13.872 -0.952 7.897 274 HD13 LEU 35 3HD1 LEU 35 14.693 0.200 6.819 275 HD21 LEU 35 1HD2 LEU 35 12.748 -2.271 4.711 276 HD22 LEU 35 2HD2 LEU 35 12.842 -0.533 5.090 277 HD23 LEU 35 3HD2 LEU 35 12.261 -1.692 6.308 278 H GLU 36 H GLU 36 17.962 -2.706 3.883 279 HA GLU 36 HA GLU 36 18.352 -2.396 0.991 280 HB2 GLU 36 1HB GLU 36 19.780 -0.531 0.994 281 HB3 GLU 36 2HB GLU 36 18.352 -0.021 1.876 282 HG2 GLU 36 1HG GLU 36 19.476 -0.342 3.945 283 HG3 GLU 36 2HG GLU 36 20.925 -0.861 3.082 284 H ARG 37 H ARG 37 20.863 -2.608 0.578 285 HA ARG 37 HA ARG 37 22.044 -4.379 2.678 286 HB2 ARG 37 1HB ARG 37 22.260 -4.659 -0.332 287 HB3 ARG 37 2HB ARG 37 23.071 -5.673 0.871 288 HG2 ARG 37 1HG ARG 37 20.784 -6.396 1.653 289 HG3 ARG 37 2HG ARG 37 20.110 -5.537 0.268 290 HD2 ARG 37 1HD ARG 37 22.091 -7.834 0.164 291 HD3 ARG 37 2HD ARG 37 20.389 -7.914 -0.278 292 HE ARG 37 HE ARG 37 20.848 -6.676 -2.261 293 HH11 ARG 37 1HH1 ARG 37 23.837 -7.248 -0.449 294 HH12 ARG 37 2HH1 ARG 37 24.849 -6.756 -1.776 295 HH21 ARG 37 1HH2 ARG 37 22.220 -6.085 -3.914 296 HH22 ARG 37 2HH2 ARG 37 23.949 -6.146 -3.690 297 H ASP 38 H ASP 38 24.316 -4.222 2.820 298 HA ASP 38 HA ASP 38 26.300 -3.173 2.847 299 HB2 ASP 38 1HB ASP 38 25.687 -2.354 0.006 300 HB3 ASP 38 2HB ASP 38 27.286 -2.590 0.739 301 H THR 39 H THR 39 24.133 -1.961 3.907 302 HA THR 39 HA THR 39 23.647 0.748 3.191 303 HB THR 39 HB THR 39 22.100 -0.557 4.554 304 HG1 THR 39 HG1 THR 39 21.776 1.522 5.012 305 HG21 THR 39 1HG2 THR 39 22.580 -0.989 6.919 306 HG22 THR 39 2HG2 THR 39 24.289 -0.613 6.610 307 HG23 THR 39 3HG2 THR 39 23.503 -1.984 5.783 308 H GLN 40 H GLN 40 24.342 2.676 4.111 309 HA GLN 40 HA GLN 40 25.904 4.155 4.845 310 HB2 GLN 40 1HB GLN 40 26.682 2.215 7.013 311 HB3 GLN 40 2HB GLN 40 26.677 3.972 7.053 312 HG2 GLN 40 1HG GLN 40 24.129 3.775 6.778 313 HG3 GLN 40 2HG GLN 40 24.341 2.075 7.203 314 HE21 GLN 40 1HE2 GLN 40 24.425 2.717 10.616 315 HE22 GLN 40 2HE2 GLN 40 24.162 1.606 9.292 316 H GLY 41 H GLY 41 26.775 1.870 3.000 317 HA2 GLY 41 1HA GLY 41 28.747 1.415 1.890 318 HA3 GLY 41 2HA GLY 41 29.587 2.585 2.913 319 H LEU 42 H LEU 42 27.787 0.235 4.674 320 HA LEU 42 HA LEU 42 30.299 -0.995 5.585 321 HB2 LEU 42 1HB LEU 42 27.416 -1.420 6.410 322 HB3 LEU 42 2HB LEU 42 28.826 -2.060 7.243 323 HG LEU 42 HG LEU 42 28.267 0.900 6.944 324 HD11 LEU 42 1HD1 LEU 42 27.601 -0.985 9.213 325 HD12 LEU 42 2HD1 LEU 42 26.452 -0.146 8.144 326 HD13 LEU 42 3HD1 LEU 42 27.458 0.794 9.262 327 HD21 LEU 42 1HD2 LEU 42 30.575 0.412 7.416 328 HD22 LEU 42 2HD2 LEU 42 30.099 -0.700 8.718 329 HD23 LEU 42 3HD2 LEU 42 29.791 1.041 8.877 330 H ASP 43 H ASP 43 30.939 -2.223 3.816 331 HA ASP 43 HA ASP 43 29.189 -3.708 2.164 332 HB2 ASP 43 1HB ASP 43 31.851 -3.195 2.128 333 HB3 ASP 43 2HB ASP 43 31.857 -4.875 2.712 334 H GLY 44 H GLY 44 28.261 -5.653 2.295 335 HA2 GLY 44 1HA GLY 44 27.916 -7.804 3.096 336 HA3 GLY 44 2HA GLY 44 29.174 -7.578 4.303 337 H TRP 45 H TRP 45 27.547 -4.906 5.029 338 HA TRP 45 HA TRP 45 25.857 -6.312 7.021 339 HB2 TRP 45 1HB TRP 45 26.937 -3.521 6.644 340 HB3 TRP 45 2HB TRP 45 25.713 -3.847 7.832 341 HD1 TRP 45 HD1 TRP 45 29.418 -4.025 7.308 342 HE1 TRP 45 HE1 TRP 45 30.616 -5.005 9.322 343 HE3 TRP 45 HE3 TRP 45 25.301 -5.838 9.725 344 HZ2 TRP 45 HZ2 TRP 45 29.877 -6.481 11.670 345 HZ3 TRP 45 HZ3 TRP 45 25.603 -7.013 11.903 346 HH2 TRP 45 HH2 TRP 45 27.864 -7.343 12.848 347 H TRP 46 H TRP 46 23.663 -6.351 6.861 348 HA TRP 46 HA TRP 46 22.453 -4.683 4.688 349 HB2 TRP 46 1HB TRP 46 21.575 -7.352 5.834 350 HB3 TRP 46 2HB TRP 46 20.714 -6.447 4.591 351 HD1 TRP 46 HD1 TRP 46 24.119 -5.951 3.555 352 HE1 TRP 46 HE1 TRP 46 24.977 -7.601 1.856 353 HE3 TRP 46 HE3 TRP 46 20.457 -9.498 4.167 354 HZ2 TRP 46 HZ2 TRP 46 24.202 -10.193 0.886 355 HZ3 TRP 46 HZ3 TRP 46 20.626 -11.602 2.825 356 HH2 TRP 46 HH2 TRP 46 22.454 -11.922 1.173 357 H LEU 47 H LEU 47 20.936 -3.219 5.199 358 HA LEU 47 HA LEU 47 20.232 -2.831 8.018 359 HB2 LEU 47 1HB LEU 47 20.526 -0.923 6.437 360 HB3 LEU 47 2HB LEU 47 19.214 -1.556 5.461 361 HG LEU 47 HG LEU 47 17.614 -1.076 7.203 362 HD11 LEU 47 1HD1 LEU 47 19.984 -0.057 8.778 363 HD12 LEU 47 2HD1 LEU 47 18.904 -1.408 9.205 364 HD13 LEU 47 3HD1 LEU 47 18.283 0.248 9.197 365 HD21 LEU 47 1HD2 LEU 47 19.421 1.285 6.604 366 HD22 LEU 47 2HD2 LEU 47 17.739 1.389 7.154 367 HD23 LEU 47 3HD2 LEU 47 18.115 0.674 5.581 368 H CYS 48 H CYS 48 18.647 -3.896 8.994 369 HA CYS 48 HA CYS 48 16.279 -4.633 7.356 370 HB2 CYS 48 1HB CYS 48 17.481 -6.464 9.459 371 HB3 CYS 48 2HB CYS 48 16.200 -6.824 8.302 372 HG CYS 48 HG CYS 48 19.396 -6.193 7.716 373 H SER 49 H SER 49 14.469 -5.362 8.776 374 HA SER 49 HA SER 49 14.451 -3.842 11.349 375 HB2 SER 49 1HB SER 49 12.722 -2.601 10.684 376 HB3 SER 49 2HB SER 49 13.067 -3.118 9.041 377 HG SER 49 HG SER 49 11.672 -5.014 9.634 378 H LEU 50 H LEU 50 13.851 -5.021 13.022 379 HA LEU 50 HA LEU 50 12.247 -7.510 12.591 380 HB2 LEU 50 1HB LEU 50 14.697 -8.082 12.630 381 HB3 LEU 50 2HB LEU 50 14.824 -7.295 14.203 382 HG LEU 50 HG LEU 50 12.818 -9.119 14.654 383 HD11 LEU 50 1HD1 LEU 50 13.232 -10.015 12.370 384 HD12 LEU 50 2HD1 LEU 50 13.419 -11.187 13.687 385 HD13 LEU 50 3HD1 LEU 50 14.860 -10.480 12.931 386 HD21 LEU 50 1HD2 LEU 50 15.819 -9.445 14.986 387 HD22 LEU 50 2HD2 LEU 50 14.596 -10.437 15.805 388 HD23 LEU 50 3HD2 LEU 50 14.699 -8.692 16.146 389 H HIS 51 H HIS 51 10.653 -7.593 14.145 390 HA HIS 51 HA HIS 51 9.312 -6.881 15.861 391 HB2 HIS 51 1HB HIS 51 11.984 -6.817 17.295 392 HB3 HIS 51 2HB HIS 51 10.428 -6.580 18.098 393 HD1 HIS 51 HD1 HIS 51 8.664 -8.664 17.844 394 HD2 HIS 51 HD2 HIS 51 12.681 -9.445 17.059 395 HE1 HIS 51 HE1 HIS 51 8.969 -11.176 17.973 396 H GLY 52 H GLY 52 10.236 -4.756 14.030 397 HA2 GLY 52 1HA GLY 52 9.659 -2.505 13.925 398 HA3 GLY 52 2HA GLY 52 9.273 -2.537 15.645 399 H ARG 53 H ARG 53 12.388 -3.797 15.188 400 HA ARG 53 HA ARG 53 13.592 -1.137 15.857 401 HB2 ARG 53 1HB ARG 53 13.644 -3.405 17.340 402 HB3 ARG 53 2HB ARG 53 15.004 -3.752 16.280 403 HG2 ARG 53 1HG ARG 53 14.785 -1.201 17.911 404 HG3 ARG 53 2HG ARG 53 15.550 -2.685 18.511 405 HD2 ARG 53 1HD ARG 53 17.080 -2.579 16.477 406 HD3 ARG 53 2HD ARG 53 16.474 -0.936 16.210 407 HE ARG 53 HE ARG 53 17.274 -1.159 18.913 408 HH11 ARG 53 1HH1 ARG 53 18.848 -1.086 15.726 409 HH12 ARG 53 2HH1 ARG 53 20.348 -0.506 16.427 410 HH21 ARG 53 1HH2 ARG 53 19.204 -0.390 19.653 411 HH22 ARG 53 2HH2 ARG 53 20.545 -0.120 18.561 412 H GLN 54 H GLN 54 15.166 -0.442 14.469 413 HA GLN 54 HA GLN 54 15.628 -2.129 12.053 414 HB2 GLN 54 1HB GLN 54 15.095 0.684 12.506 415 HB3 GLN 54 2HB GLN 54 16.636 0.473 11.661 416 HG2 GLN 54 1HG GLN 54 15.529 -0.818 9.931 417 HG3 GLN 54 2HG GLN 54 13.995 -0.740 10.821 418 HE21 GLN 54 1HE2 GLN 54 15.367 2.812 9.244 419 HE22 GLN 54 2HE2 GLN 54 16.490 1.709 9.992 420 H GLY 55 H GLY 55 17.754 -2.519 11.337 421 HA2 GLY 55 1HA GLY 55 20.033 -1.229 12.433 422 HA3 GLY 55 2HA GLY 55 19.729 -2.696 13.367 423 H ILE 56 H ILE 56 22.085 -2.541 12.129 424 HA ILE 56 HA ILE 56 21.892 -3.759 9.466 425 HB ILE 56 HB ILE 56 24.357 -3.722 9.455 426 HG12 ILE 56 1HG1 ILE 56 24.086 -2.774 12.353 427 HG13 ILE 56 2HG1 ILE 56 24.687 -4.337 11.849 428 HG21 ILE 56 1HG2 ILE 56 23.361 -1.105 10.691 429 HG22 ILE 56 2HG2 ILE 56 24.637 -1.334 9.469 430 HG23 ILE 56 3HG2 ILE 56 22.938 -1.624 9.046 431 HD11 ILE 56 1HD1 ILE 56 26.566 -3.034 12.414 432 HD12 ILE 56 2HD1 ILE 56 26.554 -3.102 10.640 433 HD13 ILE 56 3HD1 ILE 56 25.993 -1.635 11.486 434 H VAL 57 H VAL 57 22.780 -5.783 8.931 435 HA VAL 57 HA VAL 57 23.021 -7.777 11.139 436 HB VAL 57 HB VAL 57 21.282 -8.069 8.675 437 HG11 VAL 57 1HG1 VAL 57 20.551 -10.182 9.714 438 HG12 VAL 57 2HG1 VAL 57 22.206 -10.155 9.102 439 HG13 VAL 57 3HG1 VAL 57 21.903 -9.990 10.837 440 HG21 VAL 57 1HG2 VAL 57 19.382 -8.254 10.290 441 HG22 VAL 57 2HG2 VAL 57 20.529 -7.766 11.571 442 HG23 VAL 57 3HG2 VAL 57 20.136 -6.653 10.241 443 HA PRO 58 HA PRO 58 26.271 -8.804 8.266 444 HB2 PRO 58 1HB PRO 58 27.036 -11.276 9.144 445 HB3 PRO 58 2HB PRO 58 27.404 -9.769 10.052 446 HG2 PRO 58 1HG PRO 58 25.170 -11.743 10.507 447 HG3 PRO 58 2HG PRO 58 26.312 -11.032 11.691 448 HD2 PRO 58 1HD PRO 58 23.797 -10.052 11.291 449 HD3 PRO 58 2HD PRO 58 25.173 -9.000 11.730 450 H GLY 59 H GLY 59 25.788 -9.281 6.180 451 HA2 GLY 59 1HA GLY 59 23.555 -10.821 5.401 452 HA3 GLY 59 2HA GLY 59 24.906 -10.364 4.360 453 H ASN 60 H ASN 60 26.821 -11.827 6.148 454 HA ASN 60 HA ASN 60 26.861 -14.315 4.762 455 HB2 ASN 60 1HB ASN 60 28.636 -12.885 6.244 456 HB3 ASN 60 2HB ASN 60 28.229 -14.171 7.398 457 HD21 ASN 60 1HD2 ASN 60 29.434 -16.730 5.036 458 HD22 ASN 60 2HD2 ASN 60 27.968 -16.406 5.936 459 H ARG 61 H ARG 61 24.960 -13.375 7.524 460 HA ARG 61 HA ARG 61 24.476 -16.270 8.136 461 HB2 ARG 61 1HB ARG 61 24.134 -13.819 9.898 462 HB3 ARG 61 2HB ARG 61 23.663 -15.465 10.349 463 HG2 ARG 61 1HG ARG 61 26.029 -16.185 10.103 464 HG3 ARG 61 2HG ARG 61 26.483 -14.497 9.763 465 HD2 ARG 61 1HD ARG 61 25.660 -13.810 11.961 466 HD3 ARG 61 2HD ARG 61 25.104 -15.468 12.278 467 HE ARG 61 HE ARG 61 27.887 -15.521 11.640 468 HH11 ARG 61 1HH1 ARG 61 25.747 -14.568 14.290 469 HH12 ARG 61 2HH1 ARG 61 27.000 -14.771 15.487 470 HH21 ARG 61 1HH2 ARG 61 29.399 -15.785 13.201 471 HH22 ARG 61 2HH2 ARG 61 29.036 -15.453 14.883 472 H LEU 62 H LEU 62 23.235 -14.045 6.212 473 HA LEU 62 HA LEU 62 20.412 -14.693 6.961 474 HB2 LEU 62 1HB LEU 62 21.715 -12.202 6.014 475 HB3 LEU 62 2HB LEU 62 20.191 -12.608 5.249 476 HG LEU 62 HG LEU 62 20.631 -12.194 8.201 477 HD11 LEU 62 1HD1 LEU 62 19.263 -10.187 7.820 478 HD12 LEU 62 2HD1 LEU 62 19.121 -10.604 6.092 479 HD13 LEU 62 3HD1 LEU 62 20.705 -10.170 6.792 480 HD21 LEU 62 1HD2 LEU 62 18.182 -13.078 6.684 481 HD22 LEU 62 2HD2 LEU 62 18.063 -12.191 8.207 482 HD23 LEU 62 3HD2 LEU 62 18.886 -13.740 8.169 483 H LYS 63 H LYS 63 18.952 -15.152 5.420 484 HA LYS 63 HA LYS 63 20.042 -15.556 2.646 485 HB2 LYS 63 1HB LYS 63 19.762 -17.763 3.630 486 HB3 LYS 63 2HB LYS 63 18.133 -17.358 4.189 487 HG2 LYS 63 1HG LYS 63 17.289 -17.320 1.949 488 HG3 LYS 63 2HG LYS 63 18.920 -17.337 1.264 489 HD2 LYS 63 1HD LYS 63 17.977 -19.521 0.992 490 HD3 LYS 63 2HD LYS 63 19.257 -19.611 2.217 491 HE2 LYS 63 1HE LYS 63 17.490 -19.504 3.994 492 HE3 LYS 63 2HE LYS 63 16.254 -19.529 2.716 493 HZ1 LYS 63 1HZ LYS 63 17.196 -21.664 1.984 494 HZ2 LYS 63 2HZ LYS 63 16.684 -21.751 3.553 495 HZ3 LYS 63 3HZ LYS 63 18.295 -21.626 3.214 496 H ILE 64 H ILE 64 19.090 -14.253 1.313 497 HA ILE 64 HA ILE 64 16.652 -12.853 1.940 498 HB ILE 64 HB ILE 64 18.057 -13.300 -0.739 499 HG12 ILE 64 1HG1 ILE 64 19.557 -12.210 0.879 500 HG13 ILE 64 2HG1 ILE 64 19.087 -11.131 -0.425 501 HG21 ILE 64 1HG2 ILE 64 15.891 -11.393 0.149 502 HG22 ILE 64 2HG2 ILE 64 16.883 -11.088 -1.293 503 HG23 ILE 64 3HG2 ILE 64 15.854 -12.537 -1.201 504 HD11 ILE 64 1HD1 ILE 64 17.397 -10.055 1.145 505 HD12 ILE 64 2HD1 ILE 64 18.061 -11.073 2.444 506 HD13 ILE 64 3HD1 ILE 64 19.082 -9.878 1.638 507 H LEU 65 H LEU 65 14.584 -13.542 1.667 508 HA LEU 65 HA LEU 65 14.211 -16.197 0.401 509 HB2 LEU 65 1HB LEU 65 12.239 -14.397 1.868 510 HB3 LEU 65 2HB LEU 65 11.950 -16.059 1.346 511 HG LEU 65 HG LEU 65 14.005 -15.190 3.418 512 HD11 LEU 65 1HD1 LEU 65 12.494 -16.206 5.046 513 HD12 LEU 65 2HD1 LEU 65 11.333 -16.600 3.756 514 HD13 LEU 65 3HD1 LEU 65 11.680 -14.906 4.174 515 HD21 LEU 65 1HD2 LEU 65 14.778 -17.204 2.313 516 HD22 LEU 65 2HD2 LEU 65 13.165 -17.948 2.459 517 HD23 LEU 65 3HD2 LEU 65 14.144 -17.646 3.912 518 H VAL 66 H VAL 66 14.569 -15.707 -1.732 519 HA VAL 66 HA VAL 66 13.242 -13.463 -3.009 520 HB VAL 66 HB VAL 66 14.649 -15.883 -4.274 521 HG11 VAL 66 1HG1 VAL 66 13.950 -13.136 -5.404 522 HG12 VAL 66 2HG1 VAL 66 14.932 -14.372 -6.235 523 HG13 VAL 66 3HG1 VAL 66 13.227 -14.695 -5.878 524 HG21 VAL 66 1HG2 VAL 66 15.764 -13.132 -3.535 525 HG22 VAL 66 2HG2 VAL 66 16.196 -14.682 -2.770 526 HG23 VAL 66 3HG2 VAL 66 16.620 -14.378 -4.457 527 H GLY 67 H GLY 67 11.125 -13.441 -3.394 528 HA2 GLY 67 1HA GLY 67 9.649 -15.977 -3.722 529 HA3 GLY 67 2HA GLY 67 8.962 -14.342 -3.591 530 H MET 68 H MET 68 7.742 -15.539 -5.449 531 HA MET 68 HA MET 68 7.091 -15.517 -7.580 532 HB2 MET 68 1HB MET 68 7.308 -13.652 -8.773 533 HB3 MET 68 2HB MET 68 7.998 -13.055 -7.272 534 HG2 MET 68 1HG MET 68 10.283 -13.390 -8.229 535 HG3 MET 68 2HG MET 68 9.566 -14.004 -9.717 536 HE1 MET 68 1HE MET 68 9.493 -9.574 -8.298 537 HE2 MET 68 2HE MET 68 8.701 -10.821 -7.323 538 HE3 MET 68 3HE MET 68 10.463 -10.862 -7.558 539 H TYR 69 H TYR 69 10.144 -16.654 -6.876 540 HA TYR 69 HA TYR 69 10.412 -17.857 -9.609 541 HB2 TYR 69 1HB TYR 69 12.340 -17.441 -7.311 542 HB3 TYR 69 2HB TYR 69 12.639 -18.662 -8.560 543 HD1 TYR 69 HD1 TYR 69 13.309 -18.083 -10.794 544 HD2 TYR 69 HD2 TYR 69 12.242 -14.993 -7.993 545 HE1 TYR 69 HE1 TYR 69 14.222 -16.347 -12.348 546 HE2 TYR 69 HE2 TYR 69 13.134 -13.278 -9.553 547 HH TYR 69 HH TYR 69 14.120 -12.872 -11.587 548 H ASP 70 H ASP 70 9.024 -18.394 -6.624 549 HA ASP 70 HA ASP 70 9.528 -21.282 -6.472 550 HB2 ASP 70 1HB ASP 70 7.912 -21.177 -4.626 551 HB3 ASP 70 2HB ASP 70 9.185 -19.954 -4.429 552 H LYS 71 H LYS 71 7.827 -22.849 -6.722 553 HA LYS 71 HA LYS 71 5.439 -21.986 -8.261 554 HB2 LYS 71 1HB LYS 71 7.524 -23.926 -9.309 555 HB3 LYS 71 2HB LYS 71 5.859 -23.882 -9.906 556 HG2 LYS 71 1HG LYS 71 6.220 -21.417 -10.380 557 HG3 LYS 71 2HG LYS 71 7.945 -21.697 -10.090 558 HD2 LYS 71 1HD LYS 71 7.971 -23.394 -11.887 559 HD3 LYS 71 2HD LYS 71 6.243 -23.103 -12.183 560 HE2 LYS 71 1HE LYS 71 8.489 -21.053 -12.456 561 HE3 LYS 71 2HE LYS 71 7.629 -21.857 -13.793 562 HZ1 LYS 71 1HZ LYS 71 5.580 -20.787 -13.014 563 HZ2 LYS 71 2HZ LYS 71 6.734 -19.659 -13.389 564 HZ3 LYS 71 3HZ LYS 71 6.407 -20.017 -11.820 565 H LYS 72 H LYS 72 7.086 -24.574 -6.465 566 HA LYS 72 HA LYS 72 4.433 -25.938 -6.266 567 HB2 LYS 72 1HB LYS 72 7.243 -27.027 -5.796 568 HB3 LYS 72 2HB LYS 72 5.749 -27.918 -5.490 569 HG2 LYS 72 1HG LYS 72 5.182 -27.690 -7.931 570 HG3 LYS 72 2HG LYS 72 6.763 -26.933 -8.179 571 HD2 LYS 72 1HD LYS 72 7.044 -29.236 -8.773 572 HD3 LYS 72 2HD LYS 72 7.806 -29.058 -7.183 573 HE2 LYS 72 1HE LYS 72 5.763 -30.010 -6.108 574 HE3 LYS 72 2HE LYS 72 4.997 -30.146 -7.699 575 HZ1 LYS 72 1HZ LYS 72 7.460 -31.591 -6.855 576 HZ2 LYS 72 2HZ LYS 72 6.744 -31.720 -8.338 577 HZ3 LYS 72 3HZ LYS 72 5.962 -32.265 -6.995 578 HA PRO 73 HA PRO 73 4.660 -24.549 -2.067 579 HB2 PRO 73 1HB PRO 73 2.788 -26.078 -0.854 580 HB3 PRO 73 2HB PRO 73 2.334 -24.880 -2.105 581 HG2 PRO 73 1HG PRO 73 2.798 -27.840 -2.402 582 HG3 PRO 73 2HG PRO 73 1.386 -26.873 -2.931 583 HD2 PRO 73 1HD PRO 73 3.415 -27.513 -4.630 584 HD3 PRO 73 2HD PRO 73 2.561 -25.939 -4.729 585 H ALA 74 H ALA 74 6.069 -27.329 -3.063 586 HA ALA 74 HA ALA 74 6.343 -28.817 -0.613 587 HB1 ALA 74 1HB ALA 74 8.119 -30.025 -1.841 588 HB2 ALA 74 2HB ALA 74 6.655 -29.866 -2.835 589 HB3 ALA 74 3HB ALA 74 8.052 -28.810 -3.137 590 H GLY 75 H GLY 75 7.770 -28.564 1.025 591 HA2 GLY 75 1HA GLY 75 9.465 -26.163 0.985 592 HA3 GLY 75 2HA GLY 75 9.153 -27.223 2.367 593 H SER 76 H SER 76 11.709 -26.288 1.845 594 HA SER 76 HA SER 76 13.263 -28.098 0.244 595 HB2 SER 76 1HB SER 76 13.966 -25.791 0.883 596 HB3 SER 76 2HB SER 76 14.188 -26.352 2.557 597 HG SER 76 HG SER 76 15.606 -28.028 1.442 598 H GLY 77 H GLY 77 12.097 -28.301 3.559 599 HA2 GLY 77 1HA GLY 77 12.151 -30.210 4.907 600 HA3 GLY 77 2HA GLY 77 13.249 -30.979 3.755 601 H GLY 78 H GLY 78 14.114 -31.650 5.936 602 HA2 GLY 78 1HA GLY 78 16.567 -31.219 6.555 603 HA3 GLY 78 2HA GLY 78 15.998 -29.613 7.049 604 H SER 79 H SER 79 17.174 -31.888 8.649 605 HA SER 79 HA SER 79 15.004 -33.097 10.089 606 HB2 SER 79 1HB SER 79 17.867 -32.804 11.049 607 HB3 SER 79 2HB SER 79 16.696 -34.086 11.443 608 HG SER 79 HG SER 79 18.017 -34.887 9.854 609 H GLY 80 H GLY 80 17.157 -30.338 10.853 610 HA2 GLY 80 1HA GLY 80 16.888 -28.625 12.354 611 HA3 GLY 80 2HA GLY 80 15.195 -29.088 12.489 612 H SER 81 H SER 81 17.045 -31.755 13.363 613 HA SER 81 HA SER 81 16.254 -31.401 16.136 614 HB2 SER 81 1HB SER 81 17.457 -33.797 16.104 615 HB3 SER 81 2HB SER 81 15.834 -33.529 15.417 616 HG SER 81 HG SER 81 17.385 -34.639 14.028 617 H GLY 82 H GLY 82 18.974 -30.223 14.686 618 HA2 GLY 82 1HA GLY 82 20.880 -29.375 15.688 619 HA3 GLY 82 2HA GLY 82 20.326 -30.054 17.229 620 H LEU 83 H LEU 83 20.643 -32.174 14.471 621 HA LEU 83 HA LEU 83 22.443 -33.915 15.852 622 HB2 LEU 83 1HB LEU 83 21.835 -33.670 12.886 623 HB3 LEU 83 2HB LEU 83 22.703 -35.010 13.625 624 HG LEU 83 HG LEU 83 19.817 -34.272 14.247 625 HD11 LEU 83 1HD1 LEU 83 20.918 -36.412 12.384 626 HD12 LEU 83 2HD1 LEU 83 20.076 -34.926 11.889 627 HD13 LEU 83 3HD1 LEU 83 19.213 -36.172 12.810 628 HD21 LEU 83 1HD2 LEU 83 20.864 -35.546 16.058 629 HD22 LEU 83 2HD2 LEU 83 21.488 -36.739 14.889 630 HD23 LEU 83 3HD2 LEU 83 19.738 -36.592 15.177 631 H THR 84 H THR 84 24.544 -33.766 16.154 632 HA THR 84 HA THR 84 26.714 -33.164 16.016 633 HB THR 84 HB THR 84 26.558 -32.383 13.109 634 HG1 THR 84 HG1 THR 84 26.225 -34.510 12.527 635 HG21 THR 84 1HG2 THR 84 28.328 -34.296 14.691 636 HG22 THR 84 2HG2 THR 84 28.750 -32.623 14.259 637 HG23 THR 84 3HG2 THR 84 28.544 -33.844 12.986 638 H ASP 85 H ASP 85 24.446 -30.965 16.111 639 HA ASP 85 HA ASP 85 24.317 -28.721 16.434 640 HB2 ASP 85 1HB ASP 85 26.518 -29.485 17.799 641 HB3 ASP 85 2HB ASP 85 27.247 -28.318 16.689 642 H GLU 86 H GLU 86 25.538 -26.457 15.700 643 HA GLU 86 HA GLU 86 26.500 -26.703 12.921 644 HB2 GLU 86 1HB GLU 86 23.939 -26.809 12.891 645 HB3 GLU 86 2HB GLU 86 23.962 -25.125 13.422 646 HG2 GLU 86 1HG GLU 86 25.313 -24.561 11.393 647 HG3 GLU 86 2HG GLU 86 25.164 -26.244 10.858 648 H LEU 87 H LEU 87 28.326 -25.556 13.312 649 HA LEU 87 HA LEU 87 28.321 -23.184 14.970 650 HB2 LEU 87 1HB LEU 87 30.421 -24.256 13.049 651 HB3 LEU 87 2HB LEU 87 30.682 -22.955 14.211 652 HG LEU 87 HG LEU 87 29.999 -25.834 14.955 653 HD11 LEU 87 1HD1 LEU 87 32.368 -25.998 15.586 654 HD12 LEU 87 2HD1 LEU 87 32.659 -24.344 15.015 655 HD13 LEU 87 3HD1 LEU 87 32.214 -25.623 13.863 656 HD21 LEU 87 1HD2 LEU 87 29.302 -24.252 16.689 657 HD22 LEU 87 2HD2 LEU 87 30.889 -23.449 16.640 658 HD23 LEU 87 3HD2 LEU 87 30.746 -25.123 17.222 659 H ALA 88 H ALA 88 28.477 -21.043 14.388 660 HA ALA 88 HA ALA 88 27.358 -20.433 11.761 661 HB1 ALA 88 1HB ALA 88 27.969 -18.593 14.101 662 HB2 ALA 88 2HB ALA 88 26.970 -18.211 12.685 663 HB3 ALA 88 3HB ALA 88 26.428 -19.447 13.839 664 HA PRO 89 HA PRO 89 31.148 -18.899 9.994 665 HB2 PRO 89 1HB PRO 89 30.178 -17.285 8.023 666 HB3 PRO 89 2HB PRO 89 29.966 -19.061 7.972 667 HG2 PRO 89 1HG PRO 89 28.080 -16.945 8.934 668 HG3 PRO 89 2HG PRO 89 27.787 -18.255 7.747 669 HD2 PRO 89 1HD PRO 89 27.079 -18.511 10.340 670 HD3 PRO 89 2HD PRO 89 27.721 -19.902 9.408 671 HA PRO 90 HA PRO 90 31.944 -14.998 11.856 672 HB2 PRO 90 1HB PRO 90 33.753 -13.746 10.242 673 HB3 PRO 90 2HB PRO 90 34.158 -15.244 11.139 674 HG2 PRO 90 1HG PRO 90 33.252 -14.936 8.292 675 HG3 PRO 90 2HG PRO 90 34.679 -15.813 8.937 676 HD2 PRO 90 1HD PRO 90 32.379 -17.097 8.349 677 HD3 PRO 90 2HD PRO 90 33.354 -17.566 9.786 678 H LYS 91 H LYS 91 31.883 -12.581 11.617 679 HA LYS 91 HA LYS 91 29.875 -11.747 9.566 680 HB2 LYS 91 1HB LYS 91 29.332 -9.892 11.165 681 HB3 LYS 91 2HB LYS 91 28.945 -11.497 11.787 682 HG2 LYS 91 1HG LYS 91 30.906 -11.459 13.235 683 HG3 LYS 91 2HG LYS 91 31.478 -9.953 12.500 684 HD2 LYS 91 1HD LYS 91 30.486 -9.393 14.609 685 HD3 LYS 91 2HD LYS 91 29.420 -8.793 13.340 686 HE2 LYS 91 1HE LYS 91 27.886 -10.694 13.680 687 HE3 LYS 91 2HE LYS 91 29.005 -11.399 14.869 688 HZ1 LYS 91 1HZ LYS 91 28.651 -9.484 16.282 689 HZ2 LYS 91 2HZ LYS 91 27.210 -10.203 15.943 690 HZ3 LYS 91 3HZ LYS 91 27.613 -8.803 15.180 691 HA PRO 92 HA PRO 92 33.137 -9.193 8.010 692 HB2 PRO 92 1HB PRO 92 31.814 -7.019 6.983 693 HB3 PRO 92 2HB PRO 92 31.725 -8.646 6.234 694 HG2 PRO 92 1HG PRO 92 29.806 -7.336 8.114 695 HG3 PRO 92 2HG PRO 92 29.480 -8.150 6.557 696 HD2 PRO 92 1HD PRO 92 29.138 -9.369 8.925 697 HD3 PRO 92 2HD PRO 92 29.744 -10.263 7.484 698 HA PRO 93 HA PRO 93 34.087 -6.333 11.236 699 HB2 PRO 93 1HB PRO 93 35.897 -4.632 10.153 700 HB3 PRO 93 2HB PRO 93 36.245 -6.377 10.325 701 HG2 PRO 93 1HG PRO 93 35.206 -4.887 7.934 702 HG3 PRO 93 2HG PRO 93 36.618 -5.980 8.048 703 HD2 PRO 93 1HD PRO 93 34.209 -6.837 7.172 704 HD3 PRO 93 2HD PRO 93 35.266 -7.890 8.165 705 H LEU 94 H LEU 94 34.266 -3.918 11.846 706 HA LEU 94 HA LEU 94 32.412 -2.217 10.287 707 HB2 LEU 94 1HB LEU 94 32.318 -2.922 13.225 708 HB3 LEU 94 2HB LEU 94 31.698 -1.383 12.648 709 HG LEU 94 HG LEU 94 30.673 -4.099 11.786 710 HD11 LEU 94 1HD1 LEU 94 29.443 -1.929 13.494 711 HD12 LEU 94 2HD1 LEU 94 30.167 -3.426 14.122 712 HD13 LEU 94 3HD1 LEU 94 28.726 -3.504 13.079 713 HD21 LEU 94 1HD2 LEU 94 30.368 -2.479 9.994 714 HD22 LEU 94 2HD2 LEU 94 29.704 -1.280 11.130 715 HD23 LEU 94 3HD2 LEU 94 28.822 -2.781 10.776 716 HA PRO 95 HA PRO 95 35.475 0.918 11.258 717 HB2 PRO 95 1HB PRO 95 34.075 3.171 10.789 718 HB3 PRO 95 2HB PRO 95 34.398 2.026 9.460 719 HG2 PRO 95 1HG PRO 95 31.932 2.304 11.172 720 HG3 PRO 95 2HG PRO 95 32.054 2.244 9.379 721 HD2 PRO 95 1HD PRO 95 31.485 0.030 10.926 722 HD3 PRO 95 2HD PRO 95 32.369 -0.078 9.383 723 H GLU 96 H GLU 96 35.632 3.034 12.604 724 HA GLU 96 HA GLU 96 34.253 2.580 15.213 725 HB2 GLU 96 1HB GLU 96 36.787 4.117 14.517 726 HB3 GLU 96 2HB GLU 96 36.105 3.941 16.145 727 HG2 GLU 96 1HG GLU 96 36.390 1.475 15.983 728 HG3 GLU 96 2HG GLU 96 37.133 1.681 14.377 729 H GLY 97 H GLY 97 32.864 3.971 12.991 730 HA2 GLY 97 1HA GLY 97 31.924 6.201 14.492 731 HA3 GLY 97 2HA GLY 97 33.013 6.781 13.222 732 H GLU 98 H GLU 98 30.512 7.689 13.159 733 HA GLU 98 HA GLU 98 28.716 6.066 11.555 734 HB2 GLU 98 1HB GLU 98 27.998 7.862 13.159 735 HB3 GLU 98 2HB GLU 98 28.713 9.066 12.079 736 HG2 GLU 98 1HG GLU 98 27.148 8.298 10.266 737 HG3 GLU 98 2HG GLU 98 26.386 7.211 11.442 738 H VAL 99 H VAL 99 29.378 5.523 9.542 739 HA VAL 99 HA VAL 99 29.883 7.648 7.610 740 HB VAL 99 HB VAL 99 32.147 7.331 8.509 741 HG11 VAL 99 1HG1 VAL 99 31.943 4.382 7.655 742 HG12 VAL 99 2HG1 VAL 99 33.391 5.185 8.285 743 HG13 VAL 99 3HG1 VAL 99 31.980 4.976 9.320 744 HG21 VAL 99 1HG2 VAL 99 33.357 6.924 6.398 745 HG22 VAL 99 2HG2 VAL 99 31.937 6.126 5.693 746 HG23 VAL 99 3HG2 VAL 99 31.891 7.862 6.075 747 HXT VAL 99 H02 VAL 99 29.033 3.985 6.520 Start of MODEL 13 1 H2 GLY 1 2H0 GLY 1 1.144 0.772 -0.027 2 H GLY 1 1H0 GLY 1 1.351 1.872 -1.209 3 HA2 GLY 1 1HA GLY 1 2.267 -0.952 -1.301 4 HA3 GLY 1 2HA GLY 1 2.459 0.213 -2.630 5 H SER 2 H SER 2 4.686 -0.671 -2.303 6 HA SER 2 HA SER 2 6.177 1.210 -0.540 7 HB2 SER 2 1HB SER 2 7.745 -0.602 0.014 8 HB3 SER 2 2HB SER 2 6.117 -0.966 0.615 9 HG SER 2 HG SER 2 7.474 -2.595 -0.715 10 H MET 3 H MET 3 8.458 1.384 -1.261 11 HA MET 3 HA MET 3 9.323 0.491 -3.833 12 HB2 MET 3 1HB MET 3 7.457 2.258 -4.402 13 HB3 MET 3 2HB MET 3 8.662 3.442 -3.887 14 HG2 MET 3 1HG MET 3 10.246 2.502 -5.560 15 HG3 MET 3 2HG MET 3 8.985 1.371 -6.080 16 HE1 MET 3 1HE MET 3 10.235 2.935 -8.341 17 HE2 MET 3 2HE MET 3 8.748 1.980 -8.549 18 HE3 MET 3 3HE MET 3 8.832 3.643 -9.174 19 H LYS 4 H LYS 4 9.425 2.861 -1.219 20 HA LYS 4 HA LYS 4 12.310 3.411 -1.648 21 HB2 LYS 4 1HB LYS 4 10.146 4.397 0.191 22 HB3 LYS 4 2HB LYS 4 11.776 4.307 0.865 23 HG2 LYS 4 1HG LYS 4 11.384 6.543 0.004 24 HG3 LYS 4 2HG LYS 4 12.630 5.734 -0.961 25 HD2 LYS 4 1HD LYS 4 10.922 5.208 -2.698 26 HD3 LYS 4 2HD LYS 4 9.704 6.076 -1.740 27 HE2 LYS 4 1HE LYS 4 11.017 8.149 -1.943 28 HE3 LYS 4 2HE LYS 4 12.279 7.273 -2.839 29 HZ1 LYS 4 1HZ LYS 4 10.643 6.799 -4.561 30 HZ2 LYS 4 2HZ LYS 4 10.779 8.428 -4.339 31 HZ3 LYS 4 3HZ LYS 4 9.472 7.619 -3.738 32 H TYR 5 H TYR 5 13.828 2.298 -0.529 33 HA TYR 5 HA TYR 5 14.846 0.525 0.309 34 HB2 TYR 5 1HB TYR 5 12.465 0.545 2.130 35 HB3 TYR 5 2HB TYR 5 13.768 -0.612 2.264 36 HD1 TYR 5 HD1 TYR 5 12.603 2.201 3.782 37 HD2 TYR 5 HD2 TYR 5 16.241 0.778 1.967 38 HE1 TYR 5 HE1 TYR 5 13.936 3.797 5.163 39 HE2 TYR 5 HE2 TYR 5 17.549 2.369 3.334 40 HH TYR 5 HH TYR 5 16.017 4.575 5.692 41 H LEU 6 H LEU 6 14.850 -1.806 0.515 42 HA LEU 6 HA LEU 6 13.644 -2.893 -1.879 43 HB2 LEU 6 1HB LEU 6 15.133 -4.281 0.374 44 HB3 LEU 6 2HB LEU 6 14.812 -4.946 -1.221 45 HG LEU 6 HG LEU 6 16.602 -2.574 -0.690 46 HD11 LEU 6 1HD1 LEU 6 17.272 -5.483 -1.273 47 HD12 LEU 6 2HD1 LEU 6 17.488 -4.649 0.285 48 HD13 LEU 6 3HD1 LEU 6 18.443 -4.149 -1.126 49 HD21 LEU 6 1HD2 LEU 6 17.382 -2.962 -3.003 50 HD22 LEU 6 2HD2 LEU 6 15.666 -2.522 -2.950 51 HD23 LEU 6 3HD2 LEU 6 16.138 -4.219 -3.205 52 H ASN 7 H ASN 7 13.080 -3.302 1.583 53 HA ASN 7 HA ASN 7 11.460 -4.326 2.806 54 HB2 ASN 7 1HB ASN 7 9.714 -3.718 0.398 55 HB3 ASN 7 2HB ASN 7 9.143 -4.096 2.029 56 HD21 ASN 7 1HD2 ASN 7 10.497 -0.936 3.312 57 HD22 ASN 7 2HD2 ASN 7 10.693 -2.634 3.668 58 H VAL 8 H VAL 8 13.041 -6.246 1.673 59 HA VAL 8 HA VAL 8 11.147 -8.320 0.678 60 HB VAL 8 HB VAL 8 12.888 -9.286 -0.484 61 HG11 VAL 8 1HG1 VAL 8 14.319 -6.664 0.052 62 HG12 VAL 8 2HG1 VAL 8 14.461 -7.710 -1.380 63 HG13 VAL 8 3HG1 VAL 8 12.945 -6.837 -1.083 64 HG21 VAL 8 1HG2 VAL 8 14.638 -8.561 1.859 65 HG22 VAL 8 2HG2 VAL 8 14.208 -10.162 1.245 66 HG23 VAL 8 3HG2 VAL 8 15.333 -9.136 0.340 67 H LEU 9 H LEU 9 11.468 -10.516 1.681 68 HA LEU 9 HA LEU 9 11.990 -10.206 4.604 69 HB2 LEU 9 1HB LEU 9 10.655 -12.448 3.052 70 HB3 LEU 9 2HB LEU 9 10.857 -12.392 4.799 71 HG LEU 9 HG LEU 9 9.161 -10.490 3.143 72 HD11 LEU 9 1HD1 LEU 9 8.256 -12.777 3.295 73 HD12 LEU 9 2HD1 LEU 9 7.270 -11.629 4.222 74 HD13 LEU 9 3HD1 LEU 9 8.391 -12.720 5.070 75 HD21 LEU 9 1HD2 LEU 9 10.005 -9.316 5.107 76 HD22 LEU 9 2HD2 LEU 9 9.553 -10.680 6.157 77 HD23 LEU 9 3HD2 LEU 9 8.296 -9.716 5.352 78 H ALA 10 H ALA 10 13.588 -11.385 5.627 79 HA ALA 10 HA ALA 10 15.119 -13.325 3.944 80 HB1 ALA 10 1HB ALA 10 16.350 -11.148 5.677 81 HB2 ALA 10 2HB ALA 10 17.229 -12.396 4.754 82 HB3 ALA 10 3HB ALA 10 16.295 -11.154 3.901 83 H LYS 11 H LYS 11 15.937 -15.081 5.058 84 HA LYS 11 HA LYS 11 14.974 -15.322 7.879 85 HB2 LYS 11 1HB LYS 11 14.097 -17.016 6.396 86 HB3 LYS 11 2HB LYS 11 15.709 -17.425 5.808 87 HG2 LYS 11 1HG LYS 11 16.333 -18.407 7.882 88 HG3 LYS 11 2HG LYS 11 14.959 -17.693 8.736 89 HD2 LYS 11 1HD LYS 11 14.605 -19.731 6.527 90 HD3 LYS 11 2HD LYS 11 14.858 -20.179 8.230 91 HE2 LYS 11 1HE LYS 11 12.910 -18.660 8.816 92 HE3 LYS 11 2HE LYS 11 12.576 -18.547 7.080 93 HZ1 LYS 11 1HZ LYS 11 11.247 -20.246 8.139 94 HZ2 LYS 11 2HZ LYS 11 12.590 -21.043 8.668 95 HZ3 LYS 11 3HZ LYS 11 12.271 -20.945 7.050 96 H ALA 12 H ALA 12 16.312 -15.683 9.499 97 HA ALA 12 HA ALA 12 19.187 -15.457 9.168 98 HB1 ALA 12 1HB ALA 12 18.006 -14.616 11.130 99 HB2 ALA 12 2HB ALA 12 17.442 -16.254 11.521 100 HB3 ALA 12 3HB ALA 12 19.167 -15.861 11.600 101 H LEU 13 H LEU 13 20.605 -17.057 8.616 102 HA LEU 13 HA LEU 13 19.708 -19.877 8.684 103 HB2 LEU 13 1HB LEU 13 22.379 -18.611 8.017 104 HB3 LEU 13 2HB LEU 13 22.033 -20.318 7.915 105 HG LEU 13 HG LEU 13 21.926 -19.839 5.768 106 HD11 LEU 13 1HD1 LEU 13 19.621 -20.580 6.363 107 HD12 LEU 13 2HD1 LEU 13 19.705 -19.602 4.885 108 HD13 LEU 13 3HD1 LEU 13 19.124 -18.867 6.397 109 HD21 LEU 13 1HD2 LEU 13 20.819 -17.105 6.299 110 HD22 LEU 13 2HD2 LEU 13 21.484 -17.732 4.775 111 HD23 LEU 13 3HD2 LEU 13 22.551 -17.495 6.159 112 H TYR 14 H TYR 14 21.360 -17.597 10.659 113 HA TYR 14 HA TYR 14 22.037 -19.707 12.635 114 HB2 TYR 14 1HB TYR 14 23.943 -17.511 11.739 115 HB3 TYR 14 2HB TYR 14 24.230 -18.716 12.997 116 HD1 TYR 14 HD1 TYR 14 24.166 -18.073 9.378 117 HD2 TYR 14 HD2 TYR 14 24.705 -21.091 12.395 118 HE1 TYR 14 HE1 TYR 14 25.122 -19.607 7.669 119 HE2 TYR 14 HE2 TYR 14 25.702 -22.603 10.695 120 HH TYR 14 HH TYR 14 26.099 -21.631 7.273 121 H ASP 15 H ASP 15 22.538 -18.494 14.771 122 HA ASP 15 HA ASP 15 20.642 -16.265 15.059 123 HB2 ASP 15 1HB ASP 15 21.321 -16.344 17.416 124 HB3 ASP 15 2HB ASP 15 20.908 -17.964 16.835 125 H ASN 16 H ASN 16 21.522 -14.294 16.327 126 HA ASN 16 HA ASN 16 24.310 -13.635 15.631 127 HB2 ASN 16 1HB ASN 16 22.806 -12.869 13.713 128 HB3 ASN 16 2HB ASN 16 22.066 -11.752 14.860 129 HD21 ASN 16 1HD2 ASN 16 24.559 -9.379 14.333 130 HD22 ASN 16 2HD2 ASN 16 22.866 -9.752 14.641 131 H VAL 17 H VAL 17 25.228 -12.302 17.080 132 HA VAL 17 HA VAL 17 23.485 -11.262 19.261 133 HB VAL 17 HB VAL 17 26.459 -11.978 19.304 134 HG11 VAL 17 1HG1 VAL 17 26.298 -11.513 21.747 135 HG12 VAL 17 2HG1 VAL 17 25.969 -10.064 20.780 136 HG13 VAL 17 3HG1 VAL 17 24.622 -10.960 21.525 137 HG21 VAL 17 1HG2 VAL 17 25.033 -13.997 19.290 138 HG22 VAL 17 2HG2 VAL 17 25.767 -13.772 20.890 139 HG23 VAL 17 3HG2 VAL 17 24.061 -13.338 20.625 140 H ALA 18 H ALA 18 23.275 -9.162 19.238 141 HA ALA 18 HA ALA 18 24.686 -7.546 17.290 142 HB1 ALA 18 1HB ALA 18 23.280 -5.724 18.236 143 HB2 ALA 18 2HB ALA 18 22.323 -7.145 17.761 144 HB3 ALA 18 3HB ALA 18 22.689 -6.847 19.479 145 H GLU 19 H GLU 19 26.640 -6.752 17.622 146 HA GLU 19 HA GLU 19 27.558 -6.320 20.449 147 HB2 GLU 19 1HB GLU 19 29.086 -6.691 17.847 148 HB3 GLU 19 2HB GLU 19 29.834 -6.355 19.420 149 HG2 GLU 19 1HG GLU 19 28.898 -8.434 20.321 150 HG3 GLU 19 2HG GLU 19 28.125 -8.780 18.772 151 H SER 20 H SER 20 26.822 -4.851 17.390 152 HA SER 20 HA SER 20 27.899 -2.208 18.279 153 HB2 SER 20 1HB SER 20 28.369 -2.728 15.964 154 HB3 SER 20 2HB SER 20 26.703 -3.252 15.683 155 HG SER 20 HG SER 20 27.361 -1.039 14.985 156 HA PRO 21 HA PRO 21 23.831 -1.237 19.696 157 HB2 PRO 21 1HB PRO 21 23.809 1.493 19.478 158 HB3 PRO 21 2HB PRO 21 24.778 0.630 20.718 159 HG2 PRO 21 1HG PRO 21 25.658 1.664 18.025 160 HG3 PRO 21 2HG PRO 21 26.412 1.913 19.630 161 HD2 PRO 21 1HD PRO 21 27.324 0.059 17.967 162 HD3 PRO 21 2HD PRO 21 27.237 -0.239 19.737 163 H ASP 22 H ASP 22 24.923 -0.634 16.465 164 HA ASP 22 HA ASP 22 22.212 0.162 15.563 165 HB2 ASP 22 1HB ASP 22 24.827 0.756 14.694 166 HB3 ASP 22 2HB ASP 22 24.183 -0.330 13.478 167 H GLU 23 H GLU 23 23.815 -2.666 16.296 168 HA GLU 23 HA GLU 23 22.991 -4.116 13.865 169 HB2 GLU 23 1HB GLU 23 25.229 -4.377 14.947 170 HB3 GLU 23 2HB GLU 23 24.431 -5.100 16.342 171 HG2 GLU 23 1HG GLU 23 23.613 -6.927 14.911 172 HG3 GLU 23 2HG GLU 23 24.387 -6.173 13.512 173 H LEU 24 H LEU 24 21.643 -5.933 13.870 174 HA LEU 24 HA LEU 24 19.666 -5.973 16.105 175 HB2 LEU 24 1HB LEU 24 19.632 -7.147 13.321 176 HB3 LEU 24 2HB LEU 24 18.419 -7.522 14.537 177 HG LEU 24 HG LEU 24 18.993 -4.767 13.393 178 HD11 LEU 24 1HD1 LEU 24 16.773 -6.765 12.903 179 HD12 LEU 24 2HD1 LEU 24 17.974 -6.170 11.737 180 HD13 LEU 24 3HD1 LEU 24 16.733 -5.070 12.365 181 HD21 LEU 24 1HD2 LEU 24 16.834 -4.172 14.556 182 HD22 LEU 24 2HD2 LEU 24 18.194 -4.508 15.645 183 HD23 LEU 24 3HD2 LEU 24 16.920 -5.736 15.399 184 H SER 25 H SER 25 19.203 -7.726 17.280 185 HA SER 25 HA SER 25 21.007 -10.072 16.984 186 HB2 SER 25 1HB SER 25 20.242 -10.449 19.424 187 HB3 SER 25 2HB SER 25 21.400 -9.138 19.127 188 HG SER 25 HG SER 25 19.704 -8.424 20.452 189 H PHE 26 H PHE 26 20.087 -11.947 16.624 190 HA PHE 26 HA PHE 26 17.227 -12.432 17.102 191 HB2 PHE 26 1HB PHE 26 16.813 -13.102 14.728 192 HB3 PHE 26 2HB PHE 26 16.997 -11.375 14.985 193 HD1 PHE 26 HD1 PHE 26 18.415 -10.134 13.661 194 HD2 PHE 26 HD2 PHE 26 19.011 -14.386 13.930 195 HE1 PHE 26 HE1 PHE 26 20.060 -10.014 11.843 196 HE2 PHE 26 HE2 PHE 26 20.693 -14.265 12.097 197 HZ PHE 26 HZ PHE 26 21.182 -12.090 10.997 198 H ARG 27 H ARG 27 16.628 -14.707 16.222 199 HA ARG 27 HA ARG 27 18.942 -16.495 16.827 200 HB2 ARG 27 1HB ARG 27 16.877 -16.414 18.348 201 HB3 ARG 27 2HB ARG 27 15.961 -17.073 16.989 202 HG2 ARG 27 1HG ARG 27 16.479 -18.905 18.373 203 HG3 ARG 27 2HG ARG 27 17.583 -19.018 17.005 204 HD2 ARG 27 1HD ARG 27 19.266 -17.712 18.502 205 HD3 ARG 27 2HD ARG 27 18.190 -18.115 19.842 206 HE ARG 27 HE ARG 27 20.018 -19.886 18.396 207 HH11 ARG 27 1HH1 ARG 27 17.195 -19.835 20.526 208 HH12 ARG 27 2HH1 ARG 27 17.487 -21.458 21.092 209 HH21 ARG 27 1HH2 ARG 27 20.315 -21.940 19.155 210 HH22 ARG 27 2HH2 ARG 27 19.217 -22.632 20.317 211 H LYS 28 H LYS 28 18.997 -18.508 15.593 212 HA LYS 28 HA LYS 28 18.704 -18.285 12.793 213 HB2 LYS 28 1HB LYS 28 20.087 -20.000 13.889 214 HB3 LYS 28 2HB LYS 28 18.654 -20.716 14.628 215 HG2 LYS 28 1HG LYS 28 17.800 -21.388 12.455 216 HG3 LYS 28 2HG LYS 28 19.146 -20.569 11.647 217 HD2 LYS 28 1HD LYS 28 20.728 -22.073 12.831 218 HD3 LYS 28 2HD LYS 28 19.348 -22.924 13.551 219 HE2 LYS 28 1HE LYS 28 19.093 -24.168 11.702 220 HE3 LYS 28 2HE LYS 28 18.981 -22.705 10.689 221 HZ1 LYS 28 1HZ LYS 28 20.865 -23.970 10.004 222 HZ2 LYS 28 2HZ LYS 28 21.442 -24.108 11.535 223 HZ3 LYS 28 3HZ LYS 28 21.447 -22.629 10.780 224 H GLY 29 H GLY 29 17.042 -18.524 11.437 225 HA2 GLY 29 1HA GLY 29 15.001 -19.510 10.742 226 HA3 GLY 29 2HA GLY 29 14.552 -19.801 12.424 227 H ASP 30 H ASP 30 15.525 -16.781 12.829 228 HA ASP 30 HA ASP 30 12.844 -15.731 12.761 229 HB2 ASP 30 1HB ASP 30 15.575 -14.566 13.304 230 HB3 ASP 30 2HB ASP 30 14.188 -13.496 13.081 231 H ILE 31 H ILE 31 12.060 -13.926 11.615 232 HA ILE 31 HA ILE 31 13.249 -13.639 8.886 233 HB ILE 31 HB ILE 31 10.318 -13.373 9.713 234 HG12 ILE 31 1HG1 ILE 31 10.936 -15.716 9.698 235 HG13 ILE 31 2HG1 ILE 31 9.947 -15.352 8.290 236 HG21 ILE 31 1HG2 ILE 31 9.971 -13.243 7.179 237 HG22 ILE 31 2HG2 ILE 31 10.755 -11.829 7.909 238 HG23 ILE 31 3HG2 ILE 31 11.735 -13.023 7.025 239 HD11 ILE 31 1HD1 ILE 31 11.577 -16.739 7.432 240 HD12 ILE 31 2HD1 ILE 31 12.220 -15.143 7.016 241 HD13 ILE 31 3HD1 ILE 31 12.865 -16.023 8.423 242 H MET 32 H MET 32 13.949 -11.659 8.417 243 HA MET 32 HA MET 32 12.723 -9.353 9.880 244 HB2 MET 32 1HB MET 32 14.931 -8.225 9.682 245 HB3 MET 32 2HB MET 32 14.932 -9.612 10.752 246 HG2 MET 32 1HG MET 32 15.703 -10.757 8.377 247 HG3 MET 32 2HG MET 32 16.445 -9.156 8.295 248 HE1 MET 32 1HE MET 32 16.280 -12.656 10.035 249 HE2 MET 32 2HE MET 32 17.180 -12.404 11.547 250 HE3 MET 32 3HE MET 32 15.571 -11.681 11.345 251 H THR 33 H THR 33 12.664 -7.409 8.735 252 HA THR 33 HA THR 33 12.198 -7.851 5.830 253 HB THR 33 HB THR 33 11.702 -5.422 7.617 254 HG1 THR 33 HG1 THR 33 10.345 -7.172 8.095 255 HG21 THR 33 1HG2 THR 33 11.965 -4.684 5.345 256 HG22 THR 33 2HG2 THR 33 10.227 -4.714 5.721 257 HG23 THR 33 3HG2 THR 33 10.939 -6.018 4.739 258 H VAL 34 H VAL 34 13.943 -7.562 4.498 259 HA VAL 34 HA VAL 34 16.194 -5.918 5.391 260 HB VAL 34 HB VAL 34 15.773 -7.165 2.678 261 HG11 VAL 34 1HG1 VAL 34 18.263 -6.157 4.110 262 HG12 VAL 34 2HG1 VAL 34 18.267 -7.061 2.578 263 HG13 VAL 34 3HG1 VAL 34 17.513 -5.458 2.656 264 HG21 VAL 34 1HG2 VAL 34 17.303 -8.947 3.621 265 HG22 VAL 34 2HG2 VAL 34 16.987 -8.266 5.221 266 HG23 VAL 34 3HG2 VAL 34 15.652 -8.940 4.259 267 H LEU 35 H LEU 35 16.456 -3.861 5.042 268 HA LEU 35 HA LEU 35 14.500 -2.468 3.303 269 HB2 LEU 35 1HB LEU 35 16.469 -1.473 5.379 270 HB3 LEU 35 2HB LEU 35 15.289 -0.476 4.538 271 HG LEU 35 HG LEU 35 14.571 -2.808 6.349 272 HD11 LEU 35 1HD1 LEU 35 13.915 -1.008 7.923 273 HD12 LEU 35 2HD1 LEU 35 14.737 0.158 6.860 274 HD13 LEU 35 3HD1 LEU 35 15.660 -1.153 7.637 275 HD21 LEU 35 1HD2 LEU 35 12.321 -1.763 6.334 276 HD22 LEU 35 2HD2 LEU 35 12.819 -2.317 4.726 277 HD23 LEU 35 3HD2 LEU 35 12.892 -0.583 5.128 278 H GLU 36 H GLU 36 18.042 -2.666 3.975 279 HA GLU 36 HA GLU 36 18.455 -2.398 1.088 280 HB2 GLU 36 1HB GLU 36 19.725 -0.473 1.005 281 HB3 GLU 36 2HB GLU 36 18.370 -0.040 2.026 282 HG2 GLU 36 1HG GLU 36 19.804 -0.357 3.972 283 HG3 GLU 36 2HG GLU 36 21.159 -0.566 2.858 284 H ARG 37 H ARG 37 20.959 -2.515 0.658 285 HA ARG 37 HA ARG 37 22.173 -4.332 2.697 286 HB2 ARG 37 1HB ARG 37 22.250 -4.621 -0.325 287 HB3 ARG 37 2HB ARG 37 23.097 -5.648 0.835 288 HG2 ARG 37 1HG ARG 37 20.827 -6.273 1.781 289 HG3 ARG 37 2HG ARG 37 20.110 -5.437 0.396 290 HD2 ARG 37 1HD ARG 37 22.011 -7.790 0.302 291 HD3 ARG 37 2HD ARG 37 20.277 -7.812 -0.075 292 HE ARG 37 HE ARG 37 21.571 -5.871 -1.711 293 HH11 ARG 37 1HH1 ARG 37 21.439 -9.379 -1.382 294 HH12 ARG 37 2HH1 ARG 37 21.825 -9.644 -3.063 295 HH21 ARG 37 1HH2 ARG 37 22.062 -6.277 -3.831 296 HH22 ARG 37 2HH2 ARG 37 22.170 -7.911 -4.426 297 H ASP 38 H ASP 38 24.422 -4.170 2.798 298 HA ASP 38 HA ASP 38 26.398 -3.099 2.816 299 HB2 ASP 38 1HB ASP 38 25.727 -2.251 -0.007 300 HB3 ASP 38 2HB ASP 38 27.336 -2.448 0.705 301 H THR 39 H THR 39 24.175 -1.962 3.890 302 HA THR 39 HA THR 39 23.670 0.768 3.287 303 HB THR 39 HB THR 39 22.117 -0.550 4.605 304 HG1 THR 39 HG1 THR 39 21.983 1.564 5.140 305 HG21 THR 39 1HG2 THR 39 23.414 -2.117 5.705 306 HG22 THR 39 2HG2 THR 39 22.643 -1.129 6.948 307 HG23 THR 39 3HG2 THR 39 24.357 -0.873 6.564 308 H GLN 40 H GLN 40 24.406 2.653 4.218 309 HA GLN 40 HA GLN 40 25.934 4.139 4.972 310 HB2 GLN 40 1HB GLN 40 26.906 2.252 7.077 311 HB3 GLN 40 2HB GLN 40 26.673 3.992 7.148 312 HG2 GLN 40 1HG GLN 40 24.187 3.543 7.021 313 HG3 GLN 40 2HG GLN 40 24.554 1.829 7.204 314 HE21 GLN 40 1HE2 GLN 40 24.012 2.376 10.636 315 HE22 GLN 40 2HE2 GLN 40 23.350 1.766 9.136 316 H GLY 41 H GLY 41 26.864 1.650 3.246 317 HA2 GLY 41 1HA GLY 41 28.845 1.392 2.022 318 HA3 GLY 41 2HA GLY 41 29.665 2.548 3.094 319 H LEU 42 H LEU 42 27.819 0.117 4.707 320 HA LEU 42 HA LEU 42 30.303 -1.163 5.647 321 HB2 LEU 42 1HB LEU 42 27.400 -1.536 6.417 322 HB3 LEU 42 2HB LEU 42 28.780 -2.216 7.257 323 HG LEU 42 HG LEU 42 28.313 0.759 7.036 324 HD11 LEU 42 1HD1 LEU 42 26.364 -0.270 8.036 325 HD12 LEU 42 2HD1 LEU 42 27.308 0.578 9.279 326 HD13 LEU 42 3HD1 LEU 42 27.391 -1.199 9.160 327 HD21 LEU 42 1HD2 LEU 42 29.853 -0.944 9.043 328 HD22 LEU 42 2HD2 LEU 42 29.732 0.828 9.030 329 HD23 LEU 42 3HD2 LEU 42 30.586 -0.004 7.715 330 H ASP 43 H ASP 43 30.903 -2.326 3.813 331 HA ASP 43 HA ASP 43 29.177 -3.829 2.157 332 HB2 ASP 43 1HB ASP 43 32.096 -4.148 2.897 333 HB3 ASP 43 2HB ASP 43 31.290 -5.262 1.778 334 H GLY 44 H GLY 44 28.089 -5.667 2.352 335 HA2 GLY 44 1HA GLY 44 27.723 -7.868 3.089 336 HA3 GLY 44 2HA GLY 44 29.025 -7.704 4.270 337 H TRP 45 H TRP 45 27.489 -4.996 5.060 338 HA TRP 45 HA TRP 45 25.781 -6.362 7.044 339 HB2 TRP 45 1HB TRP 45 26.887 -3.592 6.639 340 HB3 TRP 45 2HB TRP 45 25.668 -3.898 7.838 341 HD1 TRP 45 HD1 TRP 45 29.363 -4.064 7.336 342 HE1 TRP 45 HE1 TRP 45 30.553 -5.045 9.357 343 HE3 TRP 45 HE3 TRP 45 25.244 -5.905 9.684 344 HZ2 TRP 45 HZ2 TRP 45 29.784 -6.572 11.673 345 HZ3 TRP 45 HZ3 TRP 45 25.517 -7.110 11.836 346 HH2 TRP 45 HH2 TRP 45 27.755 -7.455 12.805 347 H TRP 46 H TRP 46 23.606 -6.382 6.874 348 HA TRP 46 HA TRP 46 22.416 -4.726 4.678 349 HB2 TRP 46 1HB TRP 46 21.556 -7.411 5.812 350 HB3 TRP 46 2HB TRP 46 20.684 -6.506 4.568 351 HD1 TRP 46 HD1 TRP 46 24.107 -5.969 3.539 352 HE1 TRP 46 HE1 TRP 46 24.969 -7.602 1.814 353 HE3 TRP 46 HE3 TRP 46 20.496 -9.548 4.127 354 HZ2 TRP 46 HZ2 TRP 46 24.204 -10.176 0.811 355 HZ3 TRP 46 HZ3 TRP 46 20.653 -11.632 2.770 356 HH2 TRP 46 HH2 TRP 46 22.458 -11.917 1.096 357 H LEU 47 H LEU 47 20.948 -3.243 5.226 358 HA LEU 47 HA LEU 47 20.233 -2.856 8.034 359 HB2 LEU 47 1HB LEU 47 20.566 -0.960 6.470 360 HB3 LEU 47 2HB LEU 47 19.260 -1.565 5.464 361 HG LEU 47 HG LEU 47 17.654 -1.103 7.236 362 HD11 LEU 47 1HD1 LEU 47 18.956 -1.394 9.234 363 HD12 LEU 47 2HD1 LEU 47 18.347 0.268 9.201 364 HD13 LEU 47 3HD1 LEU 47 20.042 -0.058 8.777 365 HD21 LEU 47 1HD2 LEU 47 18.150 0.615 5.557 366 HD22 LEU 47 2HD2 LEU 47 19.449 1.260 6.586 367 HD23 LEU 47 3HD2 LEU 47 17.753 1.354 7.119 368 H CYS 48 H CYS 48 18.648 -3.947 9.006 369 HA CYS 48 HA CYS 48 16.278 -4.675 7.347 370 HB2 CYS 48 1HB CYS 48 17.491 -6.501 9.449 371 HB3 CYS 48 2HB CYS 48 16.193 -6.867 8.315 372 HG CYS 48 HG CYS 48 19.386 -6.263 7.687 373 H SER 49 H SER 49 14.460 -5.389 8.753 374 HA SER 49 HA SER 49 14.464 -3.902 11.333 375 HB2 SER 49 1HB SER 49 12.765 -2.616 10.689 376 HB3 SER 49 2HB SER 49 13.121 -3.110 9.043 377 HG SER 49 HG SER 49 10.940 -3.472 9.532 378 H LEU 50 H LEU 50 13.825 -5.054 13.001 379 HA LEU 50 HA LEU 50 12.273 -7.577 12.590 380 HB2 LEU 50 1HB LEU 50 14.723 -8.102 12.548 381 HB3 LEU 50 2HB LEU 50 14.892 -7.297 14.107 382 HG LEU 50 HG LEU 50 12.960 -9.147 14.674 383 HD11 LEU 50 1HD1 LEU 50 13.529 -11.234 13.719 384 HD12 LEU 50 2HD1 LEU 50 14.905 -10.518 12.853 385 HD13 LEU 50 3HD1 LEU 50 13.242 -10.086 12.387 386 HD21 LEU 50 1HD2 LEU 50 14.930 -8.645 16.017 387 HD22 LEU 50 2HD2 LEU 50 15.976 -9.436 14.819 388 HD23 LEU 50 3HD2 LEU 50 14.806 -10.396 15.756 389 H HIS 51 H HIS 51 10.727 -7.700 14.142 390 HA HIS 51 HA HIS 51 9.373 -7.049 15.864 391 HB2 HIS 51 1HB HIS 51 12.010 -6.708 17.317 392 HB3 HIS 51 2HB HIS 51 10.420 -6.686 18.086 393 HD1 HIS 51 HD1 HIS 51 8.983 -9.015 17.833 394 HD2 HIS 51 HD2 HIS 51 13.059 -9.175 17.040 395 HE1 HIS 51 HE1 HIS 51 9.653 -11.454 17.922 396 H GLY 52 H GLY 52 10.261 -4.931 13.966 397 HA2 GLY 52 1HA GLY 52 9.661 -2.696 13.775 398 HA3 GLY 52 2HA GLY 52 9.232 -2.676 15.488 399 H ARG 53 H ARG 53 12.386 -3.892 15.156 400 HA ARG 53 HA ARG 53 13.522 -1.204 15.799 401 HB2 ARG 53 1HB ARG 53 13.627 -3.476 17.293 402 HB3 ARG 53 2HB ARG 53 15.003 -3.784 16.249 403 HG2 ARG 53 1HG ARG 53 14.705 -1.217 17.854 404 HG3 ARG 53 2HG ARG 53 15.452 -2.681 18.503 405 HD2 ARG 53 1HD ARG 53 17.021 -2.616 16.479 406 HD3 ARG 53 2HD ARG 53 16.432 -0.963 16.216 407 HE ARG 53 HE ARG 53 17.202 -1.220 18.928 408 HH11 ARG 53 1HH1 ARG 53 18.794 -1.134 15.749 409 HH12 ARG 53 2HH1 ARG 53 20.299 -0.585 16.459 410 HH21 ARG 53 1HH2 ARG 53 19.145 -0.497 19.691 411 HH22 ARG 53 2HH2 ARG 53 20.490 -0.230 18.598 412 H GLN 54 H GLN 54 15.106 -0.496 14.441 413 HA GLN 54 HA GLN 54 15.625 -2.157 12.025 414 HB2 GLN 54 1HB GLN 54 15.129 0.661 12.530 415 HB3 GLN 54 2HB GLN 54 16.661 0.428 11.672 416 HG2 GLN 54 1HG GLN 54 15.504 -0.855 9.960 417 HG3 GLN 54 2HG GLN 54 13.980 -0.690 10.846 418 HE21 GLN 54 1HE2 GLN 54 15.521 2.761 9.203 419 HE22 GLN 54 2HE2 GLN 54 16.593 1.616 9.971 420 H GLY 55 H GLY 55 17.755 -2.519 11.316 421 HA2 GLY 55 1HA GLY 55 20.016 -1.229 12.414 422 HA3 GLY 55 2HA GLY 55 19.730 -2.689 13.366 423 H ILE 56 H ILE 56 22.086 -2.552 12.139 424 HA ILE 56 HA ILE 56 21.918 -3.758 9.464 425 HB ILE 56 HB ILE 56 24.382 -3.742 9.483 426 HG12 ILE 56 1HG1 ILE 56 24.063 -2.825 12.390 427 HG13 ILE 56 2HG1 ILE 56 24.675 -4.393 11.873 428 HG21 ILE 56 1HG2 ILE 56 22.960 -1.614 9.111 429 HG22 ILE 56 2HG2 ILE 56 23.437 -1.115 10.758 430 HG23 ILE 56 3HG2 ILE 56 24.671 -1.367 9.500 431 HD11 ILE 56 1HD1 ILE 56 26.562 -3.104 12.465 432 HD12 ILE 56 2HD1 ILE 56 26.538 -3.104 10.688 433 HD13 ILE 56 3HD1 ILE 56 25.974 -1.674 11.591 434 H VAL 57 H VAL 57 22.799 -5.768 8.916 435 HA VAL 57 HA VAL 57 22.958 -7.813 11.087 436 HB VAL 57 HB VAL 57 21.271 -7.989 8.581 437 HG11 VAL 57 1HG1 VAL 57 21.807 -10.040 10.654 438 HG12 VAL 57 2HG1 VAL 57 20.485 -10.147 9.479 439 HG13 VAL 57 3HG1 VAL 57 22.168 -10.123 8.917 440 HG21 VAL 57 1HG2 VAL 57 20.486 -7.820 11.484 441 HG22 VAL 57 2HG2 VAL 57 20.132 -6.629 10.214 442 HG23 VAL 57 3HG2 VAL 57 19.348 -8.222 10.174 443 HA PRO 58 HA PRO 58 26.241 -8.949 8.268 444 HB2 PRO 58 1HB PRO 58 26.896 -11.430 9.209 445 HB3 PRO 58 2HB PRO 58 27.300 -9.928 10.098 446 HG2 PRO 58 1HG PRO 58 24.990 -11.803 10.523 447 HG3 PRO 58 2HG PRO 58 26.120 -11.115 11.725 448 HD2 PRO 58 1HD PRO 58 23.651 -10.058 11.235 449 HD3 PRO 58 2HD PRO 58 25.047 -9.052 11.711 450 H GLY 59 H GLY 59 25.592 -9.339 6.201 451 HA2 GLY 59 1HA GLY 59 23.428 -10.994 5.452 452 HA3 GLY 59 2HA GLY 59 24.730 -10.446 4.387 453 H ASN 60 H ASN 60 26.706 -11.866 6.232 454 HA ASN 60 HA ASN 60 26.849 -14.324 4.777 455 HB2 ASN 60 1HB ASN 60 28.602 -12.877 6.282 456 HB3 ASN 60 2HB ASN 60 28.223 -14.181 7.416 457 HD21 ASN 60 1HD2 ASN 60 29.448 -16.680 4.982 458 HD22 ASN 60 2HD2 ASN 60 27.962 -16.378 5.861 459 H ARG 61 H ARG 61 24.990 -13.440 7.571 460 HA ARG 61 HA ARG 61 24.516 -16.339 8.184 461 HB2 ARG 61 1HB ARG 61 24.038 -13.876 9.908 462 HB3 ARG 61 2HB ARG 61 23.691 -15.545 10.373 463 HG2 ARG 61 1HG ARG 61 26.127 -16.062 10.139 464 HG3 ARG 61 2HG ARG 61 26.425 -14.332 9.866 465 HD2 ARG 61 1HD ARG 61 25.399 -13.821 12.057 466 HD3 ARG 61 2HD ARG 61 25.104 -15.551 12.309 467 HE ARG 61 HE ARG 61 27.890 -15.062 11.754 468 HH11 ARG 61 1HH1 ARG 61 25.519 -14.882 14.386 469 HH12 ARG 61 2HH1 ARG 61 26.763 -14.989 15.608 470 HH21 ARG 61 1HH2 ARG 61 29.371 -15.232 13.344 471 HH22 ARG 61 2HH2 ARG 61 28.906 -15.184 15.030 472 H LEU 62 H LEU 62 23.294 -14.134 6.197 473 HA LEU 62 HA LEU 62 20.473 -14.718 6.979 474 HB2 LEU 62 1HB LEU 62 21.568 -12.299 7.185 475 HB3 LEU 62 2HB LEU 62 21.168 -12.243 5.472 476 HG LEU 62 HG LEU 62 18.829 -12.731 6.034 477 HD11 LEU 62 1HD1 LEU 62 17.995 -12.415 8.252 478 HD12 LEU 62 2HD1 LEU 62 19.664 -12.355 8.870 479 HD13 LEU 62 3HD1 LEU 62 19.031 -13.825 8.107 480 HD21 LEU 62 1HD2 LEU 62 20.126 -10.296 7.239 481 HD22 LEU 62 2HD2 LEU 62 18.373 -10.461 7.021 482 HD23 LEU 62 3HD2 LEU 62 19.445 -10.487 5.610 483 H LYS 63 H LYS 63 19.016 -15.208 5.460 484 HA LYS 63 HA LYS 63 20.044 -15.325 2.654 485 HB2 LYS 63 1HB LYS 63 19.855 -17.600 3.503 486 HB3 LYS 63 2HB LYS 63 18.195 -17.296 4.034 487 HG2 LYS 63 1HG LYS 63 17.430 -17.086 1.746 488 HG3 LYS 63 2HG LYS 63 19.089 -17.072 1.134 489 HD2 LYS 63 1HD LYS 63 18.134 -19.201 0.664 490 HD3 LYS 63 2HD LYS 63 19.359 -19.421 1.926 491 HE2 LYS 63 1HE LYS 63 17.596 -19.528 3.633 492 HE3 LYS 63 2HE LYS 63 16.359 -19.218 2.389 493 HZ1 LYS 63 1HZ LYS 63 16.840 -21.268 1.350 494 HZ2 LYS 63 2HZ LYS 63 16.698 -21.605 2.952 495 HZ3 LYS 63 3HZ LYS 63 18.196 -21.534 2.265 496 H ILE 64 H ILE 64 19.070 -14.084 1.342 497 HA ILE 64 HA ILE 64 16.595 -12.755 1.945 498 HB ILE 64 HB ILE 64 18.048 -13.136 -0.714 499 HG12 ILE 64 1HG1 ILE 64 19.544 -12.121 0.903 500 HG13 ILE 64 2HG1 ILE 64 19.038 -10.929 -0.273 501 HG21 ILE 64 1HG2 ILE 64 15.869 -11.259 0.182 502 HG22 ILE 64 2HG2 ILE 64 16.893 -10.916 -1.227 503 HG23 ILE 64 3HG2 ILE 64 15.862 -12.367 -1.200 504 HD11 ILE 64 1HD1 ILE 64 18.989 -9.781 1.801 505 HD12 ILE 64 2HD1 ILE 64 17.287 -10.152 1.499 506 HD13 ILE 64 3HD1 ILE 64 18.227 -11.140 2.649 507 H LEU 65 H LEU 65 14.583 -13.499 1.722 508 HA LEU 65 HA LEU 65 14.209 -16.101 0.353 509 HB2 LEU 65 1HB LEU 65 12.266 -14.433 1.987 510 HB3 LEU 65 2HB LEU 65 11.997 -16.073 1.400 511 HG LEU 65 HG LEU 65 14.076 -15.229 3.452 512 HD11 LEU 65 1HD1 LEU 65 11.772 -15.069 4.262 513 HD12 LEU 65 2HD1 LEU 65 12.618 -16.415 5.033 514 HD13 LEU 65 3HD1 LEU 65 11.453 -16.740 3.731 515 HD21 LEU 65 1HD2 LEU 65 14.334 -17.700 3.824 516 HD22 LEU 65 2HD2 LEU 65 14.925 -17.157 2.245 517 HD23 LEU 65 3HD2 LEU 65 13.353 -17.988 2.369 518 H VAL 66 H VAL 66 14.303 -15.615 -1.779 519 HA VAL 66 HA VAL 66 12.809 -13.376 -2.907 520 HB VAL 66 HB VAL 66 13.647 -14.303 -5.095 521 HG11 VAL 66 1HG1 VAL 66 15.807 -14.044 -2.954 522 HG12 VAL 66 2HG1 VAL 66 16.003 -13.785 -4.703 523 HG13 VAL 66 3HG1 VAL 66 14.984 -12.684 -3.755 524 HG21 VAL 66 1HG2 VAL 66 13.682 -16.736 -4.351 525 HG22 VAL 66 2HG2 VAL 66 15.166 -16.193 -5.152 526 HG23 VAL 66 3HG2 VAL 66 15.127 -16.367 -3.386 527 H GLY 67 H GLY 67 11.655 -16.154 -1.687 528 HA2 GLY 67 1HA GLY 67 9.514 -17.050 -1.926 529 HA3 GLY 67 2HA GLY 67 9.286 -16.091 -3.399 530 H MET 68 H MET 68 11.524 -16.903 -4.831 531 HA MET 68 HA MET 68 10.695 -19.505 -5.838 532 HB2 MET 68 1HB MET 68 13.118 -17.765 -6.455 533 HB3 MET 68 2HB MET 68 12.618 -19.181 -7.385 534 HG2 MET 68 1HG MET 68 10.972 -16.653 -7.015 535 HG3 MET 68 2HG MET 68 11.949 -17.033 -8.441 536 HE1 MET 68 1HE MET 68 10.014 -19.848 -10.241 537 HE2 MET 68 2HE MET 68 11.238 -18.565 -10.373 538 HE3 MET 68 3HE MET 68 11.516 -19.952 -9.292 539 H TYR 69 H TYR 69 12.273 -21.252 -6.126 540 HA TYR 69 HA TYR 69 13.657 -22.872 -5.352 541 HB2 TYR 69 1HB TYR 69 15.234 -20.827 -3.794 542 HB3 TYR 69 2HB TYR 69 15.797 -22.319 -4.558 543 HD1 TYR 69 HD1 TYR 69 15.590 -18.787 -4.894 544 HD2 TYR 69 HD2 TYR 69 15.476 -22.401 -7.231 545 HE1 TYR 69 HE1 TYR 69 16.172 -17.487 -6.947 546 HE2 TYR 69 HE2 TYR 69 16.057 -21.089 -9.274 547 HH TYR 69 HH TYR 69 16.535 -19.018 -10.141 548 H ASP 70 H ASP 70 15.004 -23.273 -2.943 549 HA ASP 70 HA ASP 70 14.709 -24.253 -0.929 550 HB2 ASP 70 1HB ASP 70 12.892 -21.864 -0.610 551 HB3 ASP 70 2HB ASP 70 13.102 -23.042 0.687 552 H LYS 71 H LYS 71 12.035 -24.344 -2.997 553 HA LYS 71 HA LYS 71 10.146 -25.551 -1.222 554 HB2 LYS 71 1HB LYS 71 9.670 -24.282 -3.327 555 HB3 LYS 71 2HB LYS 71 10.221 -25.682 -4.253 556 HG2 LYS 71 1HG LYS 71 8.400 -27.042 -3.400 557 HG3 LYS 71 2HG LYS 71 7.959 -25.791 -2.224 558 HD2 LYS 71 1HD LYS 71 6.373 -25.642 -4.002 559 HD3 LYS 71 2HD LYS 71 7.455 -24.247 -4.160 560 HE2 LYS 71 1HE LYS 71 8.729 -25.443 -5.930 561 HE3 LYS 71 2HE LYS 71 7.638 -26.837 -5.764 562 HZ1 LYS 71 1HZ LYS 71 6.976 -25.398 -7.596 563 HZ2 LYS 71 2HZ LYS 71 6.817 -24.103 -6.587 564 HZ3 LYS 71 3HZ LYS 71 5.805 -25.396 -6.437 565 H LYS 72 H LYS 72 11.073 -27.258 -0.157 566 HA LYS 72 HA LYS 72 10.882 -29.818 -1.685 567 HB2 LYS 72 1HB LYS 72 13.068 -29.053 0.305 568 HB3 LYS 72 2HB LYS 72 12.688 -30.715 -0.140 569 HG2 LYS 72 1HG LYS 72 13.232 -30.179 -2.510 570 HG3 LYS 72 2HG LYS 72 13.773 -28.569 -1.980 571 HD2 LYS 72 1HD LYS 72 15.411 -29.630 -0.453 572 HD3 LYS 72 2HD LYS 72 14.854 -31.235 -0.969 573 HE2 LYS 72 1HE LYS 72 15.547 -30.707 -3.300 574 HE3 LYS 72 2HE LYS 72 16.164 -29.136 -2.744 575 HZ1 LYS 72 1HZ LYS 72 17.926 -30.801 -2.853 576 HZ2 LYS 72 2HZ LYS 72 17.125 -31.787 -1.801 577 HZ3 LYS 72 3HZ LYS 72 17.700 -30.330 -1.289 578 HA PRO 73 HA PRO 73 8.269 -30.347 1.821 579 HB2 PRO 73 1HB PRO 73 8.186 -33.039 2.261 580 HB3 PRO 73 2HB PRO 73 7.443 -32.284 0.813 581 HG2 PRO 73 1HG PRO 73 10.142 -33.596 1.082 582 HG3 PRO 73 2HG PRO 73 8.868 -33.882 -0.146 583 HD2 PRO 73 1HD PRO 73 10.977 -32.246 -0.626 584 HD3 PRO 73 2HD PRO 73 9.340 -31.875 -1.267 585 H ALA 74 H ALA 74 11.515 -31.687 1.917 586 HA ALA 74 HA ALA 74 11.850 -30.819 4.681 587 HB1 ALA 74 1HB ALA 74 12.690 -33.034 5.461 588 HB2 ALA 74 2HB ALA 74 10.976 -33.149 5.002 589 HB3 ALA 74 3HB ALA 74 12.235 -33.764 3.902 590 H GLY 75 H GLY 75 14.205 -30.745 5.122 591 HA2 GLY 75 1HA GLY 75 15.712 -30.331 2.642 592 HA3 GLY 75 2HA GLY 75 16.267 -30.014 4.295 593 H SER 76 H SER 76 15.406 -32.736 5.126 594 HA SER 76 HA SER 76 16.323 -34.779 5.500 595 HB2 SER 76 1HB SER 76 15.985 -35.008 2.962 596 HB3 SER 76 2HB SER 76 17.727 -34.686 2.822 597 HG SER 76 HG SER 76 17.249 -36.930 2.966 598 H GLY 77 H GLY 77 18.632 -35.956 5.503 599 HA2 GLY 77 1HA GLY 77 20.764 -35.881 6.385 600 HA3 GLY 77 2HA GLY 77 20.966 -34.341 5.535 601 H GLY 78 H GLY 78 18.512 -34.901 8.044 602 HA2 GLY 78 1HA GLY 78 20.001 -33.734 10.196 603 HA3 GLY 78 2HA GLY 78 19.038 -32.496 9.357 604 H SER 79 H SER 79 17.746 -32.254 11.262 605 HA SER 79 HA SER 79 15.935 -32.618 12.600 606 HB2 SER 79 1HB SER 79 15.066 -34.566 10.436 607 HB3 SER 79 2HB SER 79 14.029 -33.850 11.685 608 HG SER 79 HG SER 79 14.293 -31.863 10.766 609 H GLY 80 H GLY 80 18.308 -34.201 13.027 610 HA2 GLY 80 1HA GLY 80 17.068 -36.372 14.652 611 HA3 GLY 80 2HA GLY 80 18.571 -36.642 13.736 612 H SER 81 H SER 81 20.265 -36.620 15.137 613 HA SER 81 HA SER 81 20.599 -34.206 16.823 614 HB2 SER 81 1HB SER 81 20.902 -37.052 17.869 615 HB3 SER 81 2HB SER 81 21.260 -35.556 18.762 616 HG SER 81 HG SER 81 18.838 -35.221 17.907 617 H GLY 82 H GLY 82 22.908 -33.979 17.490 618 HA2 GLY 82 1HA GLY 82 24.873 -35.772 16.344 619 HA3 GLY 82 2HA GLY 82 24.741 -34.233 15.450 620 H LEU 83 H LEU 83 27.117 -34.749 16.758 621 HA LEU 83 HA LEU 83 26.947 -33.420 19.405 622 HB2 LEU 83 1HB LEU 83 28.515 -35.494 18.301 623 HB3 LEU 83 2HB LEU 83 29.620 -34.140 18.532 624 HG LEU 83 HG LEU 83 27.829 -35.285 20.706 625 HD11 LEU 83 1HD1 LEU 83 30.791 -35.740 20.161 626 HD12 LEU 83 2HD1 LEU 83 29.489 -36.934 19.942 627 HD13 LEU 83 3HD1 LEU 83 29.884 -36.340 21.568 628 HD21 LEU 83 1HD2 LEU 83 29.345 -34.046 22.240 629 HD22 LEU 83 2HD2 LEU 83 28.467 -32.955 21.151 630 HD23 LEU 83 3HD2 LEU 83 30.172 -33.337 20.832 631 H THR 84 H THR 84 27.901 -32.778 16.112 632 HA THR 84 HA THR 84 29.547 -30.452 16.863 633 HB THR 84 HB THR 84 29.652 -30.172 14.332 634 HG1 THR 84 HG1 THR 84 27.659 -31.320 13.963 635 HG21 THR 84 1HG2 THR 84 30.429 -32.936 15.357 636 HG22 THR 84 2HG2 THR 84 31.395 -31.455 15.570 637 HG23 THR 84 3HG2 THR 84 31.104 -32.103 13.941 638 H ASP 85 H ASP 85 28.697 -28.484 17.128 639 HA ASP 85 HA ASP 85 25.871 -28.017 16.547 640 HB2 ASP 85 1HB ASP 85 27.139 -27.118 18.567 641 HB3 ASP 85 2HB ASP 85 27.979 -26.026 17.454 642 H GLU 86 H GLU 86 25.128 -26.288 15.195 643 HA GLU 86 HA GLU 86 26.704 -26.067 12.705 644 HB2 GLU 86 1HB GLU 86 24.566 -24.787 11.986 645 HB3 GLU 86 2HB GLU 86 24.508 -26.534 12.205 646 HG2 GLU 86 1HG GLU 86 23.470 -26.240 14.443 647 HG3 GLU 86 2HG GLU 86 23.504 -24.482 14.215 648 H LEU 87 H LEU 87 28.344 -24.928 14.020 649 HA LEU 87 HA LEU 87 27.923 -22.378 15.161 650 HB2 LEU 87 1HB LEU 87 30.430 -23.562 13.923 651 HB3 LEU 87 2HB LEU 87 30.392 -22.124 14.940 652 HG LEU 87 HG LEU 87 29.595 -24.915 15.848 653 HD11 LEU 87 1HD1 LEU 87 31.993 -24.741 15.332 654 HD12 LEU 87 2HD1 LEU 87 31.722 -24.884 17.081 655 HD13 LEU 87 3HD1 LEU 87 32.122 -23.300 16.371 656 HD21 LEU 87 1HD2 LEU 87 29.747 -23.915 18.136 657 HD22 LEU 87 2HD2 LEU 87 28.435 -23.225 17.170 658 HD23 LEU 87 3HD2 LEU 87 29.949 -22.310 17.395 659 H ALA 88 H ALA 88 28.058 -20.356 14.477 660 HA ALA 88 HA ALA 88 27.364 -20.015 11.718 661 HB1 ALA 88 1HB ALA 88 26.272 -18.896 13.677 662 HB2 ALA 88 2HB ALA 88 27.738 -17.911 13.876 663 HB3 ALA 88 3HB ALA 88 26.765 -17.774 12.390 664 HA PRO 89 HA PRO 89 31.229 -18.419 10.172 665 HB2 PRO 89 1HB PRO 89 30.374 -16.847 8.107 666 HB3 PRO 89 2HB PRO 89 30.253 -18.634 8.055 667 HG2 PRO 89 1HG PRO 89 28.171 -16.612 8.826 668 HG3 PRO 89 2HG PRO 89 28.053 -17.953 7.642 669 HD2 PRO 89 1HD PRO 89 27.127 -18.199 10.155 670 HD3 PRO 89 2HD PRO 89 27.921 -19.574 9.314 671 HA PRO 90 HA PRO 90 31.737 -14.528 12.088 672 HB2 PRO 90 1HB PRO 90 33.618 -13.173 10.649 673 HB3 PRO 90 2HB PRO 90 34.006 -14.666 11.563 674 HG2 PRO 90 1HG PRO 90 33.339 -14.362 8.647 675 HG3 PRO 90 2HG PRO 90 34.742 -15.185 9.402 676 HD2 PRO 90 1HD PRO 90 32.557 -16.556 8.614 677 HD3 PRO 90 2HD PRO 90 33.426 -17.004 10.118 678 H LYS 91 H LYS 91 31.514 -12.160 11.945 679 HA LYS 91 HA LYS 91 29.574 -11.341 9.859 680 HB2 LYS 91 1HB LYS 91 29.241 -9.378 11.394 681 HB3 LYS 91 2HB LYS 91 28.826 -10.926 12.133 682 HG2 LYS 91 1HG LYS 91 30.925 -10.938 13.400 683 HG3 LYS 91 2HG LYS 91 31.457 -9.459 12.584 684 HD2 LYS 91 1HD LYS 91 30.664 -8.886 14.788 685 HD3 LYS 91 2HD LYS 91 29.535 -8.237 13.596 686 HE2 LYS 91 1HE LYS 91 27.969 -10.104 14.030 687 HE3 LYS 91 2HE LYS 91 29.135 -10.816 15.172 688 HZ1 LYS 91 1HZ LYS 91 28.942 -8.792 16.500 689 HZ2 LYS 91 2HZ LYS 91 27.480 -9.554 16.351 690 HZ3 LYS 91 3HZ LYS 91 27.781 -8.198 15.467 691 HA PRO 92 HA PRO 92 32.830 -8.977 7.958 692 HB2 PRO 92 1HB PRO 92 31.034 -6.611 7.776 693 HB3 PRO 92 2HB PRO 92 31.790 -7.534 6.456 694 HG2 PRO 92 1HG PRO 92 29.165 -7.639 6.947 695 HG3 PRO 92 2HG PRO 92 30.091 -9.060 6.386 696 HD2 PRO 92 1HD PRO 92 29.133 -8.408 9.160 697 HD3 PRO 92 2HD PRO 92 29.142 -9.968 8.273 698 HA PRO 93 HA PRO 93 34.258 -6.342 11.237 699 HB2 PRO 93 1HB PRO 93 35.906 -4.522 10.062 700 HB3 PRO 93 2HB PRO 93 36.328 -6.260 10.149 701 HG2 PRO 93 1HG PRO 93 35.067 -4.729 7.890 702 HG3 PRO 93 2HG PRO 93 36.496 -5.812 7.855 703 HD2 PRO 93 1HD PRO 93 34.024 -6.663 7.152 704 HD3 PRO 93 2HD PRO 93 35.177 -7.741 8.014 705 H LEU 94 H LEU 94 34.350 -4.003 11.967 706 HA LEU 94 HA LEU 94 32.336 -2.314 10.600 707 HB2 LEU 94 1HB LEU 94 32.340 -3.266 13.466 708 HB3 LEU 94 2HB LEU 94 31.653 -1.698 13.064 709 HG LEU 94 HG LEU 94 30.715 -4.373 11.979 710 HD11 LEU 94 1HD1 LEU 94 28.725 -3.922 13.262 711 HD12 LEU 94 2HD1 LEU 94 29.384 -2.353 13.783 712 HD13 LEU 94 3HD1 LEU 94 30.142 -3.872 14.334 713 HD21 LEU 94 1HD2 LEU 94 30.355 -2.652 10.282 714 HD22 LEU 94 2HD2 LEU 94 29.632 -1.565 11.494 715 HD23 LEU 94 3HD2 LEU 94 28.821 -3.075 11.035 716 HA PRO 95 HA PRO 95 35.225 0.919 11.384 717 HB2 PRO 95 1HB PRO 95 33.629 3.124 11.440 718 HB3 PRO 95 2HB PRO 95 33.800 2.136 9.957 719 HG2 PRO 95 1HG PRO 95 31.665 2.012 12.066 720 HG3 PRO 95 2HG PRO 95 31.486 2.194 10.291 721 HD2 PRO 95 1HD PRO 95 31.280 -0.212 11.497 722 HD3 PRO 95 2HD PRO 95 32.054 -0.049 9.891 723 H GLU 96 H GLU 96 35.288 3.086 12.827 724 HA GLU 96 HA GLU 96 35.697 3.986 14.790 725 HB2 GLU 96 1HB GLU 96 33.107 3.566 14.847 726 HB3 GLU 96 2HB GLU 96 33.542 2.465 16.147 727 HG2 GLU 96 1HG GLU 96 34.665 4.323 17.320 728 HG3 GLU 96 2HG GLU 96 34.267 5.406 15.985 729 H GLY 97 H GLY 97 36.453 1.046 14.121 730 HA2 GLY 97 1HA GLY 97 37.679 0.374 16.736 731 HA3 GLY 97 2HA GLY 97 37.765 -0.601 15.249 732 H GLU 98 H GLU 98 40.103 0.088 16.745 733 HA GLU 98 HA GLU 98 41.315 2.450 15.650 734 HB2 GLU 98 1HB GLU 98 43.394 1.619 16.616 735 HB3 GLU 98 2HB GLU 98 42.056 1.527 17.764 736 HG2 GLU 98 1HG GLU 98 41.858 -0.895 17.380 737 HG3 GLU 98 2HG GLU 98 43.174 -0.823 16.193 738 H VAL 99 H VAL 99 42.574 2.787 13.889 739 HA VAL 99 HA VAL 99 42.435 0.727 11.832 740 HB VAL 99 HB VAL 99 43.673 3.514 11.648 741 HG11 VAL 99 1HG1 VAL 99 42.693 1.570 9.461 742 HG12 VAL 99 2HG1 VAL 99 43.280 3.219 9.179 743 HG13 VAL 99 3HG1 VAL 99 44.385 1.988 9.795 744 HG21 VAL 99 1HG2 VAL 99 40.798 2.565 11.058 745 HG22 VAL 99 2HG2 VAL 99 41.280 3.740 12.289 746 HG23 VAL 99 3HG2 VAL 99 41.444 4.144 10.583 747 HXT VAL 99 H02 VAL 99 43.530 -0.494 13.143 Start of MODEL 14 1 H2 GLY 1 2H0 GLY 1 1.495 4.687 -0.978 2 H GLY 1 1H0 GLY 1 2.164 3.205 -0.849 3 HA2 GLY 1 1HA GLY 1 2.891 5.546 0.832 4 HA3 GLY 1 2HA GLY 1 3.634 3.936 0.939 5 H SER 2 H SER 2 5.456 5.596 0.769 6 HA SER 2 HA SER 2 6.075 6.346 -2.032 7 HB2 SER 2 1HB SER 2 8.083 7.388 -1.025 8 HB3 SER 2 2HB SER 2 6.601 7.938 -0.211 9 HG SER 2 HG SER 2 7.998 5.684 0.758 10 H MET 3 H MET 3 7.793 5.442 -3.205 11 HA MET 3 HA MET 3 8.577 2.741 -2.441 12 HB2 MET 3 1HB MET 3 9.438 4.525 -4.748 13 HB3 MET 3 2HB MET 3 9.904 2.830 -4.540 14 HG2 MET 3 1HG MET 3 7.494 2.191 -4.616 15 HG3 MET 3 2HG MET 3 7.081 3.887 -4.918 16 HE1 MET 3 1HE MET 3 9.838 1.279 -6.328 17 HE2 MET 3 2HE MET 3 8.233 0.510 -6.386 18 HE3 MET 3 3HE MET 3 9.066 0.944 -7.895 19 H LYS 4 H LYS 4 9.675 3.004 -0.501 20 HA LYS 4 HA LYS 4 12.478 4.031 -0.815 21 HB2 LYS 4 1HB LYS 4 10.591 4.182 1.578 22 HB3 LYS 4 2HB LYS 4 12.343 4.326 1.739 23 HG2 LYS 4 1HG LYS 4 10.619 6.205 0.081 24 HG3 LYS 4 2HG LYS 4 11.156 6.502 1.744 25 HD2 LYS 4 1HD LYS 4 13.552 6.191 0.904 26 HD3 LYS 4 2HD LYS 4 12.887 6.223 -0.742 27 HE2 LYS 4 1HE LYS 4 13.639 8.442 -0.233 28 HE3 LYS 4 2HE LYS 4 11.863 8.466 -0.200 29 HZ1 LYS 4 1HZ LYS 4 11.980 8.303 2.225 30 HZ2 LYS 4 2HZ LYS 4 12.815 9.630 1.705 31 HZ3 LYS 4 3HZ LYS 4 13.629 8.279 2.183 32 H TYR 5 H TYR 5 13.972 2.590 -0.139 33 HA TYR 5 HA TYR 5 14.938 0.646 0.355 34 HB2 TYR 5 1HB TYR 5 12.656 0.566 2.319 35 HB3 TYR 5 2HB TYR 5 13.958 -0.605 2.300 36 HD1 TYR 5 HD1 TYR 5 12.945 2.107 4.089 37 HD2 TYR 5 HD2 TYR 5 16.420 0.806 1.894 38 HE1 TYR 5 HE1 TYR 5 14.405 3.609 5.463 39 HE2 TYR 5 HE2 TYR 5 17.846 2.310 3.259 40 HH TYR 5 HH TYR 5 17.954 3.756 4.983 41 H LEU 6 H LEU 6 14.860 -1.710 0.535 42 HA LEU 6 HA LEU 6 13.573 -2.711 -1.864 43 HB2 LEU 6 1HB LEU 6 15.097 -4.187 0.310 44 HB3 LEU 6 2HB LEU 6 14.733 -4.791 -1.296 45 HG LEU 6 HG LEU 6 16.612 -2.501 -0.708 46 HD11 LEU 6 1HD1 LEU 6 17.181 -5.411 -1.423 47 HD12 LEU 6 2HD1 LEU 6 17.437 -4.661 0.171 48 HD13 LEU 6 3HD1 LEU 6 18.396 -4.125 -1.224 49 HD21 LEU 6 1HD2 LEU 6 15.638 -2.332 -2.948 50 HD22 LEU 6 2HD2 LEU 6 16.057 -4.027 -3.278 51 HD23 LEU 6 3HD2 LEU 6 17.342 -2.816 -3.045 52 H ASN 7 H ASN 7 13.190 -3.259 1.623 53 HA ASN 7 HA ASN 7 11.604 -4.269 2.889 54 HB2 ASN 7 1HB ASN 7 9.768 -3.513 0.600 55 HB3 ASN 7 2HB ASN 7 9.264 -3.929 2.243 56 HD21 ASN 7 1HD2 ASN 7 10.308 -0.193 1.343 57 HD22 ASN 7 2HD2 ASN 7 10.017 -1.454 0.173 58 H VAL 8 H VAL 8 13.059 -6.199 1.744 59 HA VAL 8 HA VAL 8 11.094 -8.201 0.716 60 HB VAL 8 HB VAL 8 12.733 -9.107 -0.608 61 HG11 VAL 8 1HG1 VAL 8 14.339 -7.535 -1.468 62 HG12 VAL 8 2HG1 VAL 8 12.864 -6.641 -1.061 63 HG13 VAL 8 3HG1 VAL 8 14.283 -6.573 0.026 64 HG21 VAL 8 1HG2 VAL 8 15.199 -9.176 0.061 65 HG22 VAL 8 2HG2 VAL 8 14.675 -8.590 1.645 66 HG23 VAL 8 3HG2 VAL 8 14.077 -10.142 1.040 67 H LEU 9 H LEU 9 11.417 -10.444 1.635 68 HA LEU 9 HA LEU 9 12.020 -10.196 4.541 69 HB2 LEU 9 1HB LEU 9 10.645 -12.404 2.981 70 HB3 LEU 9 2HB LEU 9 10.881 -12.379 4.725 71 HG LEU 9 HG LEU 9 9.176 -10.425 3.136 72 HD11 LEU 9 1HD1 LEU 9 7.289 -11.572 4.218 73 HD12 LEU 9 2HD1 LEU 9 8.413 -12.693 5.021 74 HD13 LEU 9 3HD1 LEU 9 8.249 -12.706 3.247 75 HD21 LEU 9 1HD2 LEU 9 10.062 -9.309 5.117 76 HD22 LEU 9 2HD2 LEU 9 9.609 -10.691 6.141 77 HD23 LEU 9 3HD2 LEU 9 8.354 -9.694 5.374 78 H ALA 10 H ALA 10 13.603 -11.388 5.548 79 HA ALA 10 HA ALA 10 15.107 -13.348 3.865 80 HB1 ALA 10 1HB ALA 10 16.331 -11.220 3.789 81 HB2 ALA 10 2HB ALA 10 16.356 -11.161 5.568 82 HB3 ALA 10 3HB ALA 10 17.230 -12.448 4.701 83 H LYS 11 H LYS 11 15.981 -15.075 5.006 84 HA LYS 11 HA LYS 11 15.006 -15.334 7.828 85 HB2 LYS 11 1HB LYS 11 14.180 -17.055 6.354 86 HB3 LYS 11 2HB LYS 11 15.801 -17.415 5.759 87 HG2 LYS 11 1HG LYS 11 16.464 -18.304 7.892 88 HG3 LYS 11 2HG LYS 11 14.964 -17.769 8.661 89 HD2 LYS 11 1HD LYS 11 15.023 -19.774 6.396 90 HD3 LYS 11 2HD LYS 11 15.184 -20.232 8.104 91 HE2 LYS 11 1HE LYS 11 13.028 -19.025 8.572 92 HE3 LYS 11 2HE LYS 11 12.830 -18.807 6.817 93 HZ1 LYS 11 1HZ LYS 11 11.677 -20.773 7.630 94 HZ2 LYS 11 2HZ LYS 11 13.082 -21.412 8.210 95 HZ3 LYS 11 3HZ LYS 11 12.877 -21.214 6.584 96 H ALA 12 H ALA 12 16.349 -15.657 9.468 97 HA ALA 12 HA ALA 12 19.235 -15.427 9.116 98 HB1 ALA 12 1HB ALA 12 19.225 -15.775 11.573 99 HB2 ALA 12 2HB ALA 12 18.097 -14.507 11.073 100 HB3 ALA 12 3HB ALA 12 17.488 -16.114 11.508 101 H LEU 13 H LEU 13 20.678 -17.066 8.772 102 HA LEU 13 HA LEU 13 19.684 -19.871 8.906 103 HB2 LEU 13 1HB LEU 13 22.364 -18.695 8.131 104 HB3 LEU 13 2HB LEU 13 21.964 -20.395 8.077 105 HG LEU 13 HG LEU 13 21.810 -19.932 5.929 106 HD11 LEU 13 1HD1 LEU 13 19.034 -18.949 6.646 107 HD12 LEU 13 2HD1 LEU 13 19.527 -20.661 6.591 108 HD13 LEU 13 3HD1 LEU 13 19.552 -19.678 5.113 109 HD21 LEU 13 1HD2 LEU 13 22.447 -17.567 6.247 110 HD22 LEU 13 2HD2 LEU 13 20.715 -17.180 6.397 111 HD23 LEU 13 3HD2 LEU 13 21.360 -17.859 4.889 112 H TYR 14 H TYR 14 21.314 -17.575 10.796 113 HA TYR 14 HA TYR 14 22.096 -19.637 12.780 114 HB2 TYR 14 1HB TYR 14 23.908 -17.370 11.879 115 HB3 TYR 14 2HB TYR 14 24.269 -18.616 13.077 116 HD1 TYR 14 HD1 TYR 14 24.197 -17.778 9.528 117 HD2 TYR 14 HD2 TYR 14 24.562 -21.035 12.309 118 HE1 TYR 14 HE1 TYR 14 25.080 -19.228 7.710 119 HE2 TYR 14 HE2 TYR 14 25.469 -22.472 10.495 120 HH TYR 14 HH TYR 14 25.900 -21.274 7.149 121 H ASP 15 H ASP 15 22.600 -18.506 14.911 122 HA ASP 15 HA ASP 15 20.675 -16.325 15.383 123 HB2 ASP 15 1HB ASP 15 21.457 -16.508 17.703 124 HB3 ASP 15 2HB ASP 15 20.966 -18.085 17.062 125 H ASN 16 H ASN 16 21.457 -14.319 16.472 126 HA ASN 16 HA ASN 16 24.274 -13.614 15.897 127 HB2 ASN 16 1HB ASN 16 22.754 -12.948 13.918 128 HB3 ASN 16 2HB ASN 16 22.025 -11.778 15.026 129 HD21 ASN 16 1HD2 ASN 16 24.582 -9.456 14.579 130 HD22 ASN 16 2HD2 ASN 16 22.915 -9.804 15.015 131 H VAL 17 H VAL 17 25.081 -12.359 17.487 132 HA VAL 17 HA VAL 17 23.166 -11.238 19.476 133 HB VAL 17 HB VAL 17 26.119 -11.980 19.798 134 HG11 VAL 17 1HG1 VAL 17 25.509 -10.035 21.188 135 HG12 VAL 17 2HG1 VAL 17 24.098 -10.915 21.831 136 HG13 VAL 17 3HG1 VAL 17 25.748 -11.467 22.204 137 HG21 VAL 17 1HG2 VAL 17 25.268 -13.734 21.360 138 HG22 VAL 17 2HG2 VAL 17 23.600 -13.306 20.911 139 HG23 VAL 17 3HG2 VAL 17 24.706 -13.996 19.699 140 H ALA 18 H ALA 18 23.013 -9.116 19.384 141 HA ALA 18 HA ALA 18 24.554 -7.614 17.466 142 HB1 ALA 18 1HB ALA 18 22.204 -7.100 17.862 143 HB2 ALA 18 2HB ALA 18 22.531 -6.771 19.581 144 HB3 ALA 18 3HB ALA 18 23.201 -5.703 18.326 145 H GLU 19 H GLU 19 26.423 -6.623 17.781 146 HA GLU 19 HA GLU 19 27.351 -6.207 20.605 147 HB2 GLU 19 1HB GLU 19 28.890 -6.570 18.012 148 HB3 GLU 19 2HB GLU 19 29.630 -6.239 19.586 149 HG2 GLU 19 1HG GLU 19 28.800 -8.351 20.472 150 HG3 GLU 19 2HG GLU 19 27.921 -8.675 18.971 151 H SER 20 H SER 20 26.893 -4.789 17.416 152 HA SER 20 HA SER 20 27.888 -2.136 18.305 153 HB2 SER 20 1HB SER 20 28.337 -2.740 15.995 154 HB3 SER 20 2HB SER 20 26.652 -3.205 15.733 155 HG SER 20 HG SER 20 27.425 -1.024 15.003 156 HA PRO 21 HA PRO 21 23.853 -1.036 19.729 157 HB2 PRO 21 1HB PRO 21 23.852 1.683 19.340 158 HB3 PRO 21 2HB PRO 21 24.823 0.886 20.624 159 HG2 PRO 21 1HG PRO 21 25.693 1.733 17.861 160 HG3 PRO 21 2HG PRO 21 26.462 2.083 19.441 161 HD2 PRO 21 1HD PRO 21 27.356 0.117 17.917 162 HD3 PRO 21 2HD PRO 21 27.242 -0.077 19.701 163 H ASP 22 H ASP 22 24.921 -0.569 16.468 164 HA ASP 22 HA ASP 22 22.191 0.149 15.547 165 HB2 ASP 22 1HB ASP 22 24.964 0.341 14.446 166 HB3 ASP 22 2HB ASP 22 23.673 -0.005 13.289 167 H GLU 23 H GLU 23 23.844 -2.654 16.336 168 HA GLU 23 HA GLU 23 23.046 -4.153 13.930 169 HB2 GLU 23 1HB GLU 23 25.251 -4.423 15.038 170 HB3 GLU 23 2HB GLU 23 24.437 -5.046 16.472 171 HG2 GLU 23 1HG GLU 23 23.634 -6.968 15.196 172 HG3 GLU 23 2HG GLU 23 24.348 -6.304 13.718 173 H LEU 24 H LEU 24 21.685 -5.987 13.986 174 HA LEU 24 HA LEU 24 19.673 -5.922 16.197 175 HB2 LEU 24 1HB LEU 24 19.596 -7.105 13.420 176 HB3 LEU 24 2HB LEU 24 18.378 -7.441 14.639 177 HG LEU 24 HG LEU 24 19.022 -4.703 13.486 178 HD11 LEU 24 1HD1 LEU 24 16.761 -6.656 12.972 179 HD12 LEU 24 2HD1 LEU 24 17.972 -6.061 11.815 180 HD13 LEU 24 3HD1 LEU 24 16.742 -4.955 12.458 181 HD21 LEU 24 1HD2 LEU 24 16.897 -5.612 15.466 182 HD22 LEU 24 2HD2 LEU 24 16.878 -4.040 14.630 183 HD23 LEU 24 3HD2 LEU 24 18.206 -4.433 15.739 184 H SER 25 H SER 25 19.128 -7.655 17.375 185 HA SER 25 HA SER 25 20.892 -10.037 17.171 186 HB2 SER 25 1HB SER 25 19.687 -10.219 19.603 187 HB3 SER 25 2HB SER 25 21.238 -9.402 19.340 188 HG SER 25 HG SER 25 19.861 -8.014 20.442 189 H PHE 26 H PHE 26 19.980 -11.891 16.731 190 HA PHE 26 HA PHE 26 17.112 -12.427 17.113 191 HB2 PHE 26 1HB PHE 26 16.774 -12.983 14.700 192 HB3 PHE 26 2HB PHE 26 16.975 -11.264 15.020 193 HD1 PHE 26 HD1 PHE 26 18.581 -10.000 13.920 194 HD2 PHE 26 HD2 PHE 26 18.869 -14.293 13.875 195 HE1 PHE 26 HE1 PHE 26 20.367 -9.860 12.223 196 HE2 PHE 26 HE2 PHE 26 20.687 -14.158 12.190 197 HZ PHE 26 HZ PHE 26 21.420 -11.959 11.336 198 H ARG 27 H ARG 27 16.613 -14.676 16.034 199 HA ARG 27 HA ARG 27 18.949 -16.446 16.663 200 HB2 ARG 27 1HB ARG 27 16.918 -16.408 18.188 201 HB3 ARG 27 2HB ARG 27 15.983 -17.066 16.841 202 HG2 ARG 27 1HG ARG 27 16.687 -19.135 17.277 203 HG3 ARG 27 2HG ARG 27 18.389 -18.624 17.301 204 HD2 ARG 27 1HD ARG 27 18.196 -17.868 19.572 205 HD3 ARG 27 2HD ARG 27 16.456 -18.254 19.584 206 HE ARG 27 HE ARG 27 18.043 -20.557 18.876 207 HH11 ARG 27 1HH1 ARG 27 17.002 -18.677 21.673 208 HH12 ARG 27 2HH1 ARG 27 17.191 -20.024 22.766 209 HH21 ARG 27 1HH2 ARG 27 18.278 -22.226 20.329 210 HH22 ARG 27 2HH2 ARG 27 17.899 -21.995 22.015 211 H LYS 28 H LYS 28 19.041 -18.462 15.481 212 HA LYS 28 HA LYS 28 18.728 -18.376 12.678 213 HB2 LYS 28 1HB LYS 28 20.124 -20.017 13.874 214 HB3 LYS 28 2HB LYS 28 18.699 -20.703 14.649 215 HG2 LYS 28 1HG LYS 28 17.880 -21.538 12.518 216 HG3 LYS 28 2HG LYS 28 19.227 -20.778 11.671 217 HD2 LYS 28 1HD LYS 28 20.822 -22.134 13.002 218 HD3 LYS 28 2HD LYS 28 19.452 -22.913 13.826 219 HE2 LYS 28 1HE LYS 28 18.674 -23.748 11.579 220 HE3 LYS 28 2HE LYS 28 20.167 -23.081 10.877 221 HZ1 LYS 28 1HZ LYS 28 20.759 -25.236 11.324 222 HZ2 LYS 28 2HZ LYS 28 19.867 -25.360 12.717 223 HZ3 LYS 28 3HZ LYS 28 21.284 -24.505 12.697 224 H GLY 29 H GLY 29 17.030 -18.549 11.374 225 HA2 GLY 29 1HA GLY 29 14.993 -19.578 10.701 226 HA3 GLY 29 2HA GLY 29 14.568 -19.867 12.390 227 H ASP 30 H ASP 30 15.554 -16.816 12.717 228 HA ASP 30 HA ASP 30 12.844 -15.803 12.677 229 HB2 ASP 30 1HB ASP 30 15.563 -14.604 13.240 230 HB3 ASP 30 2HB ASP 30 14.157 -13.558 13.028 231 H ILE 31 H ILE 31 12.076 -13.980 11.542 232 HA ILE 31 HA ILE 31 13.276 -13.693 8.817 233 HB ILE 31 HB ILE 31 10.340 -13.455 9.639 234 HG12 ILE 31 1HG1 ILE 31 10.986 -15.793 9.641 235 HG13 ILE 31 2HG1 ILE 31 9.977 -15.450 8.243 236 HG21 ILE 31 1HG2 ILE 31 10.774 -11.912 7.832 237 HG22 ILE 31 2HG2 ILE 31 11.736 -13.111 6.940 238 HG23 ILE 31 3HG2 ILE 31 9.975 -13.324 7.118 239 HD11 ILE 31 1HD1 ILE 31 12.152 -15.291 6.878 240 HD12 ILE 31 2HD1 ILE 31 12.936 -16.008 8.304 241 HD13 ILE 31 3HD1 ILE 31 11.655 -16.893 7.459 242 H MET 32 H MET 32 13.909 -11.669 8.323 243 HA MET 32 HA MET 32 12.685 -9.409 9.848 244 HB2 MET 32 1HB MET 32 14.879 -8.266 9.786 245 HB3 MET 32 2HB MET 32 14.883 -9.728 10.753 246 HG2 MET 32 1HG MET 32 15.740 -10.771 8.419 247 HG3 MET 32 2HG MET 32 16.371 -9.129 8.281 248 HE1 MET 32 1HE MET 32 15.745 -11.652 11.408 249 HE2 MET 32 2HE MET 32 16.465 -12.590 10.078 250 HE3 MET 32 3HE MET 32 17.400 -12.278 11.558 251 H THR 33 H THR 33 12.705 -7.410 8.742 252 HA THR 33 HA THR 33 12.218 -7.828 5.835 253 HB THR 33 HB THR 33 11.780 -5.384 7.615 254 HG1 THR 33 HG1 THR 33 10.373 -6.989 8.211 255 HG21 THR 33 1HG2 THR 33 11.992 -4.695 5.317 256 HG22 THR 33 2HG2 THR 33 10.269 -4.683 5.747 257 HG23 THR 33 3HG2 THR 33 10.924 -6.020 4.771 258 H VAL 34 H VAL 34 13.955 -7.578 4.503 259 HA VAL 34 HA VAL 34 16.254 -5.978 5.348 260 HB VAL 34 HB VAL 34 15.693 -7.199 2.635 261 HG11 VAL 34 1HG1 VAL 34 18.184 -7.105 2.400 262 HG12 VAL 34 2HG1 VAL 34 17.435 -5.500 2.517 263 HG13 VAL 34 3HG1 VAL 34 18.262 -6.199 3.932 264 HG21 VAL 34 1HG2 VAL 34 17.100 -8.325 5.066 265 HG22 VAL 34 2HG2 VAL 34 15.652 -8.966 4.248 266 HG23 VAL 34 3HG2 VAL 34 17.223 -9.010 3.437 267 H LEU 35 H LEU 35 16.409 -3.900 5.119 268 HA LEU 35 HA LEU 35 14.490 -2.491 3.366 269 HB2 LEU 35 1HB LEU 35 16.483 -1.538 5.435 270 HB3 LEU 35 2HB LEU 35 15.338 -0.506 4.588 271 HG LEU 35 HG LEU 35 14.558 -2.814 6.406 272 HD11 LEU 35 1HD1 LEU 35 14.753 0.157 6.870 273 HD12 LEU 35 2HD1 LEU 35 15.648 -1.152 7.682 274 HD13 LEU 35 3HD1 LEU 35 13.901 -0.978 7.941 275 HD21 LEU 35 1HD2 LEU 35 12.913 -0.594 5.134 276 HD22 LEU 35 2HD2 LEU 35 12.321 -1.734 6.362 277 HD23 LEU 35 3HD2 LEU 35 12.813 -2.331 4.771 278 H GLU 36 H GLU 36 18.033 -2.761 3.989 279 HA GLU 36 HA GLU 36 18.397 -2.542 1.092 280 HB2 GLU 36 1HB GLU 36 19.715 -0.646 0.966 281 HB3 GLU 36 2HB GLU 36 18.375 -0.163 1.981 282 HG2 GLU 36 1HG GLU 36 19.873 -0.592 3.912 283 HG3 GLU 36 2HG GLU 36 21.182 -0.667 2.733 284 H ARG 37 H ARG 37 20.870 -2.713 0.602 285 HA ARG 37 HA ARG 37 22.109 -4.512 2.651 286 HB2 ARG 37 1HB ARG 37 22.304 -4.703 -0.365 287 HB3 ARG 37 2HB ARG 37 23.091 -5.762 0.806 288 HG2 ARG 37 1HG ARG 37 20.807 -6.524 1.543 289 HG3 ARG 37 2HG ARG 37 20.130 -5.578 0.209 290 HD2 ARG 37 1HD ARG 37 22.088 -7.894 -0.025 291 HD3 ARG 37 2HD ARG 37 20.386 -7.915 -0.483 292 HE ARG 37 HE ARG 37 20.876 -6.590 -2.394 293 HH11 ARG 37 1HH1 ARG 37 23.838 -7.267 -0.583 294 HH12 ARG 37 2HH1 ARG 37 24.863 -6.679 -1.862 295 HH21 ARG 37 1HH2 ARG 37 22.269 -5.931 -4.010 296 HH22 ARG 37 2HH2 ARG 37 23.996 -5.994 -3.763 297 H ASP 38 H ASP 38 24.380 -4.312 2.750 298 HA ASP 38 HA ASP 38 26.349 -3.223 2.753 299 HB2 ASP 38 1HB ASP 38 25.650 -2.393 -0.074 300 HB3 ASP 38 2HB ASP 38 27.267 -2.579 0.626 301 H THR 39 H THR 39 24.173 -2.074 3.867 302 HA THR 39 HA THR 39 23.638 0.639 3.190 303 HB THR 39 HB THR 39 22.103 -0.686 4.552 304 HG1 THR 39 HG1 THR 39 21.782 1.379 5.075 305 HG21 THR 39 1HG2 THR 39 22.591 -1.203 6.874 306 HG22 THR 39 2HG2 THR 39 24.291 -0.767 6.601 307 HG23 THR 39 3HG2 THR 39 23.554 -2.127 5.720 308 H GLN 40 H GLN 40 24.320 2.552 4.071 309 HA GLN 40 HA GLN 40 25.817 4.077 4.804 310 HB2 GLN 40 1HB GLN 40 26.660 2.174 6.977 311 HB3 GLN 40 2HB GLN 40 26.631 3.933 7.001 312 HG2 GLN 40 1HG GLN 40 24.052 3.615 6.687 313 HG3 GLN 40 2HG GLN 40 24.358 1.976 7.257 314 HE21 GLN 40 1HE2 GLN 40 24.421 2.919 10.606 315 HE22 GLN 40 2HE2 GLN 40 24.278 1.666 9.393 316 H GLY 41 H GLY 41 26.814 1.655 3.055 317 HA2 GLY 41 1HA GLY 41 28.824 1.426 1.896 318 HA3 GLY 41 2HA GLY 41 29.602 2.573 3.004 319 H LEU 42 H LEU 42 27.780 0.135 4.604 320 HA LEU 42 HA LEU 42 30.282 -1.133 5.510 321 HB2 LEU 42 1HB LEU 42 27.405 -1.491 6.380 322 HB3 LEU 42 2HB LEU 42 28.820 -2.152 7.192 323 HG LEU 42 HG LEU 42 28.311 0.828 6.880 324 HD11 LEU 42 1HD1 LEU 42 27.618 -1.043 9.155 325 HD12 LEU 42 2HD1 LEU 42 26.481 -0.162 8.097 326 HD13 LEU 42 3HD1 LEU 42 27.537 0.735 9.211 327 HD21 LEU 42 1HD2 LEU 42 29.891 0.975 8.768 328 HD22 LEU 42 2HD2 LEU 42 30.643 0.177 7.374 329 HD23 LEU 42 3HD2 LEU 42 30.081 -0.791 8.762 330 H ASP 43 H ASP 43 30.831 -2.305 3.658 331 HA ASP 43 HA ASP 43 29.057 -3.843 2.078 332 HB2 ASP 43 1HB ASP 43 31.999 -3.871 2.615 333 HB3 ASP 43 2HB ASP 43 31.289 -5.308 1.862 334 H GLY 44 H GLY 44 28.027 -5.704 2.309 335 HA2 GLY 44 1HA GLY 44 27.700 -7.882 3.101 336 HA3 GLY 44 2HA GLY 44 29.022 -7.681 4.254 337 H TRP 45 H TRP 45 27.477 -4.967 5.042 338 HA TRP 45 HA TRP 45 25.797 -6.340 7.052 339 HB2 TRP 45 1HB TRP 45 26.912 -3.576 6.629 340 HB3 TRP 45 2HB TRP 45 25.671 -3.855 7.817 341 HD1 TRP 45 HD1 TRP 45 29.386 -4.149 7.321 342 HE1 TRP 45 HE1 TRP 45 30.542 -5.111 9.374 343 HE3 TRP 45 HE3 TRP 45 25.201 -5.736 9.737 344 HZ2 TRP 45 HZ2 TRP 45 29.707 -6.535 11.763 345 HZ3 TRP 45 HZ3 TRP 45 25.419 -6.848 11.943 346 HH2 TRP 45 HH2 TRP 45 27.641 -7.250 12.930 347 H TRP 46 H TRP 46 23.606 -6.382 6.886 348 HA TRP 46 HA TRP 46 22.394 -4.763 4.670 349 HB2 TRP 46 1HB TRP 46 21.518 -7.416 5.875 350 HB3 TRP 46 2HB TRP 46 20.630 -6.522 4.636 351 HD1 TRP 46 HD1 TRP 46 24.084 -6.104 3.594 352 HE1 TRP 46 HE1 TRP 46 24.886 -7.787 1.891 353 HE3 TRP 46 HE3 TRP 46 20.286 -9.519 4.153 354 HZ2 TRP 46 HZ2 TRP 46 24.036 -10.340 0.916 355 HZ3 TRP 46 HZ3 TRP 46 20.394 -11.622 2.826 356 HH2 TRP 46 HH2 TRP 46 22.232 -12.013 1.203 357 H LEU 47 H LEU 47 20.909 -3.277 5.206 358 HA LEU 47 HA LEU 47 20.243 -2.861 8.027 359 HB2 LEU 47 1HB LEU 47 20.530 -0.973 6.432 360 HB3 LEU 47 2HB LEU 47 19.200 -1.594 5.466 361 HG LEU 47 HG LEU 47 17.650 -1.141 7.299 362 HD11 LEU 47 1HD1 LEU 47 19.009 -1.399 9.245 363 HD12 LEU 47 2HD1 LEU 47 18.401 0.261 9.220 364 HD13 LEU 47 3HD1 LEU 47 20.082 -0.070 8.739 365 HD21 LEU 47 1HD2 LEU 47 17.703 1.307 7.145 366 HD22 LEU 47 2HD2 LEU 47 18.094 0.568 5.580 367 HD23 LEU 47 3HD2 LEU 47 19.393 1.245 6.589 368 H CYS 48 H CYS 48 18.643 -3.924 9.030 369 HA CYS 48 HA CYS 48 16.279 -4.687 7.392 370 HB2 CYS 48 1HB CYS 48 17.529 -6.507 9.479 371 HB3 CYS 48 2HB CYS 48 16.198 -6.874 8.385 372 HG CYS 48 HG CYS 48 19.362 -6.262 7.651 373 H SER 49 H SER 49 14.462 -5.383 8.772 374 HA SER 49 HA SER 49 14.450 -3.868 11.339 375 HB2 SER 49 1HB SER 49 12.709 -2.635 10.690 376 HB3 SER 49 2HB SER 49 13.132 -3.101 9.049 377 HG SER 49 HG SER 49 10.963 -3.542 9.411 378 H LEU 50 H LEU 50 13.785 -4.958 13.023 379 HA LEU 50 HA LEU 50 12.203 -7.454 12.773 380 HB2 LEU 50 1HB LEU 50 14.602 -8.098 12.457 381 HB3 LEU 50 2HB LEU 50 14.984 -7.294 13.978 382 HG LEU 50 HG LEU 50 12.958 -9.144 14.608 383 HD11 LEU 50 1HD1 LEU 50 13.411 -10.176 12.417 384 HD12 LEU 50 2HD1 LEU 50 13.780 -11.237 13.801 385 HD13 LEU 50 3HD1 LEU 50 15.100 -10.419 12.935 386 HD21 LEU 50 1HD2 LEU 50 14.796 -10.223 15.873 387 HD22 LEU 50 2HD2 LEU 50 14.804 -8.457 16.056 388 HD23 LEU 50 3HD2 LEU 50 15.972 -9.242 14.969 389 H HIS 51 H HIS 51 11.005 -7.734 14.682 390 HA HIS 51 HA HIS 51 9.999 -7.137 16.657 391 HB2 HIS 51 1HB HIS 51 12.927 -6.877 17.269 392 HB3 HIS 51 2HB HIS 51 11.774 -6.299 18.466 393 HD1 HIS 51 HD1 HIS 51 10.303 -8.047 19.705 394 HD2 HIS 51 HD2 HIS 51 12.988 -9.662 16.964 395 HE1 HIS 51 HE1 HIS 51 10.395 -10.535 20.144 396 H GLY 52 H GLY 52 10.309 -5.009 14.549 397 HA2 GLY 52 1HA GLY 52 9.517 -2.835 14.399 398 HA3 GLY 52 2HA GLY 52 9.250 -2.840 16.149 399 H ARG 53 H ARG 53 12.441 -3.736 15.198 400 HA ARG 53 HA ARG 53 13.445 -0.987 15.814 401 HB2 ARG 53 1HB ARG 53 13.738 -3.184 17.402 402 HB3 ARG 53 2HB ARG 53 15.093 -3.451 16.316 403 HG2 ARG 53 1HG ARG 53 14.792 -0.742 17.594 404 HG3 ARG 53 2HG ARG 53 15.336 -2.099 18.593 405 HD2 ARG 53 1HD ARG 53 17.136 -2.557 16.911 406 HD3 ARG 53 2HD ARG 53 16.652 -1.080 16.061 407 HE ARG 53 HE ARG 53 17.112 -0.412 18.762 408 HH11 ARG 53 1HH1 ARG 53 19.027 -1.438 15.955 409 HH12 ARG 53 2HH1 ARG 53 20.481 -0.711 16.603 410 HH21 ARG 53 1HH2 ARG 53 19.007 0.522 19.445 411 HH22 ARG 53 2HH2 ARG 53 20.467 0.366 18.489 412 H GLN 54 H GLN 54 15.289 -0.435 14.538 413 HA GLN 54 HA GLN 54 15.618 -2.112 12.084 414 HB2 GLN 54 1HB GLN 54 15.104 0.719 12.517 415 HB3 GLN 54 2HB GLN 54 16.616 0.480 11.633 416 HG2 GLN 54 1HG GLN 54 15.427 -0.856 9.979 417 HG3 GLN 54 2HG GLN 54 13.920 -0.661 10.890 418 HE21 GLN 54 1HE2 GLN 54 15.451 2.726 9.108 419 HE22 GLN 54 2HE2 GLN 54 16.532 1.587 9.871 420 H GLY 55 H GLY 55 17.745 -2.486 11.349 421 HA2 GLY 55 1HA GLY 55 20.013 -1.153 12.406 422 HA3 GLY 55 2HA GLY 55 19.736 -2.604 13.375 423 H ILE 56 H ILE 56 22.075 -2.490 12.145 424 HA ILE 56 HA ILE 56 21.877 -3.729 9.481 425 HB ILE 56 HB ILE 56 24.346 -3.659 9.451 426 HG12 ILE 56 1HG1 ILE 56 24.075 -2.621 12.328 427 HG13 ILE 56 2HG1 ILE 56 24.662 -4.220 11.885 428 HG21 ILE 56 1HG2 ILE 56 22.878 -1.582 9.038 429 HG22 ILE 56 2HG2 ILE 56 23.331 -1.038 10.671 430 HG23 ILE 56 3HG2 ILE 56 24.582 -1.274 9.424 431 HD11 ILE 56 1HD1 ILE 56 25.985 -1.539 11.403 432 HD12 ILE 56 2HD1 ILE 56 26.572 -2.906 12.369 433 HD13 ILE 56 3HD1 ILE 56 26.520 -3.033 10.597 434 H VAL 57 H VAL 57 22.731 -5.736 8.956 435 HA VAL 57 HA VAL 57 22.996 -7.710 11.185 436 HB VAL 57 HB VAL 57 21.272 -8.003 8.716 437 HG11 VAL 57 1HG1 VAL 57 21.913 -9.936 10.854 438 HG12 VAL 57 2HG1 VAL 57 20.536 -10.123 9.763 439 HG13 VAL 57 3HG1 VAL 57 22.184 -10.098 9.109 440 HG21 VAL 57 1HG2 VAL 57 20.513 -7.701 11.613 441 HG22 VAL 57 2HG2 VAL 57 20.126 -6.586 10.285 442 HG23 VAL 57 3HG2 VAL 57 19.374 -8.193 10.336 443 HA PRO 58 HA PRO 58 26.261 -8.794 8.340 444 HB2 PRO 58 1HB PRO 58 26.975 -11.270 9.284 445 HB3 PRO 58 2HB PRO 58 27.393 -9.746 10.128 446 HG2 PRO 58 1HG PRO 58 25.171 -11.653 10.690 447 HG3 PRO 58 2HG PRO 58 26.312 -10.875 11.818 448 HD2 PRO 58 1HD PRO 58 23.773 -9.952 11.363 449 HD3 PRO 58 2HD PRO 58 25.133 -8.878 11.799 450 H GLY 59 H GLY 59 25.645 -9.211 6.297 451 HA2 GLY 59 1HA GLY 59 23.424 -10.802 5.574 452 HA3 GLY 59 2HA GLY 59 24.707 -10.249 4.488 453 H ASN 60 H ASN 60 26.736 -11.722 6.181 454 HA ASN 60 HA ASN 60 26.756 -14.168 4.707 455 HB2 ASN 60 1HB ASN 60 28.702 -12.853 5.788 456 HB3 ASN 60 2HB ASN 60 28.274 -13.695 7.287 457 HD21 ASN 60 1HD2 ASN 60 30.608 -16.083 6.226 458 HD22 ASN 60 2HD2 ASN 60 30.232 -14.804 7.365 459 H ARG 61 H ARG 61 24.931 -13.314 7.471 460 HA ARG 61 HA ARG 61 24.532 -16.216 8.121 461 HB2 ARG 61 1HB ARG 61 24.155 -13.767 9.884 462 HB3 ARG 61 2HB ARG 61 23.743 -15.423 10.344 463 HG2 ARG 61 1HG ARG 61 26.094 -16.100 10.133 464 HG3 ARG 61 2HG ARG 61 26.543 -14.460 9.631 465 HD2 ARG 61 1HD ARG 61 25.836 -13.566 11.794 466 HD3 ARG 61 2HD ARG 61 25.291 -15.179 12.300 467 HE ARG 61 HE ARG 61 27.984 -15.464 11.544 468 HH11 ARG 61 1HH1 ARG 61 26.250 -13.624 14.038 469 HH12 ARG 61 2HH1 ARG 61 27.589 -13.740 15.150 470 HH21 ARG 61 1HH2 ARG 61 29.605 -15.552 12.996 471 HH22 ARG 61 2HH2 ARG 61 29.461 -14.797 14.569 472 H LEU 62 H LEU 62 23.261 -14.043 6.161 473 HA LEU 62 HA LEU 62 20.437 -14.684 6.922 474 HB2 LEU 62 1HB LEU 62 21.742 -12.172 6.018 475 HB3 LEU 62 2HB LEU 62 20.211 -12.560 5.250 476 HG LEU 62 HG LEU 62 20.658 -12.189 8.204 477 HD11 LEU 62 1HD1 LEU 62 20.762 -10.137 6.844 478 HD12 LEU 62 2HD1 LEU 62 19.304 -10.164 7.852 479 HD13 LEU 62 3HD1 LEU 62 19.187 -10.541 6.115 480 HD21 LEU 62 1HD2 LEU 62 18.164 -12.931 6.679 481 HD22 LEU 62 2HD2 LEU 62 18.128 -12.175 8.283 482 HD23 LEU 62 3HD2 LEU 62 18.896 -13.739 8.075 483 H LYS 63 H LYS 63 18.959 -15.049 5.344 484 HA LYS 63 HA LYS 63 20.044 -15.425 2.573 485 HB2 LYS 63 1HB LYS 63 19.787 -17.636 3.574 486 HB3 LYS 63 2HB LYS 63 18.133 -17.269 4.061 487 HG2 LYS 63 1HG LYS 63 17.422 -17.145 1.735 488 HG3 LYS 63 2HG LYS 63 19.087 -17.345 1.171 489 HD2 LYS 63 1HD LYS 63 17.601 -19.428 2.814 490 HD3 LYS 63 2HD LYS 63 17.648 -19.402 1.040 491 HE2 LYS 63 1HE LYS 63 20.150 -19.418 1.165 492 HE3 LYS 63 2HE LYS 63 20.008 -19.665 2.912 493 HZ1 LYS 63 1HZ LYS 63 18.961 -21.504 0.837 494 HZ2 LYS 63 2HZ LYS 63 18.839 -21.737 2.464 495 HZ3 LYS 63 3HZ LYS 63 20.321 -21.753 1.740 496 H ILE 64 H ILE 64 19.057 -14.152 1.216 497 HA ILE 64 HA ILE 64 16.592 -12.795 1.843 498 HB ILE 64 HB ILE 64 17.937 -13.249 -0.862 499 HG12 ILE 64 1HG1 ILE 64 19.468 -12.150 0.731 500 HG13 ILE 64 2HG1 ILE 64 18.990 -11.096 -0.585 501 HG21 ILE 64 1HG2 ILE 64 15.707 -12.505 -1.250 502 HG22 ILE 64 2HG2 ILE 64 15.794 -11.341 0.089 503 HG23 ILE 64 3HG2 ILE 64 16.729 -11.059 -1.396 504 HD11 ILE 64 1HD1 ILE 64 17.339 -9.961 0.956 505 HD12 ILE 64 2HD1 ILE 64 17.986 -10.961 2.281 506 HD13 ILE 64 3HD1 ILE 64 19.028 -9.796 1.446 507 H LEU 65 H LEU 65 14.559 -13.537 1.629 508 HA LEU 65 HA LEU 65 14.203 -16.177 0.297 509 HB2 LEU 65 1HB LEU 65 12.270 -14.547 1.980 510 HB3 LEU 65 2HB LEU 65 12.024 -16.193 1.397 511 HG LEU 65 HG LEU 65 14.102 -15.284 3.422 512 HD11 LEU 65 1HD1 LEU 65 11.800 -15.268 4.240 513 HD12 LEU 65 2HD1 LEU 65 12.719 -16.575 4.989 514 HD13 LEU 65 3HD1 LEU 65 11.572 -16.946 3.686 515 HD21 LEU 65 1HD2 LEU 65 13.561 -18.071 2.292 516 HD22 LEU 65 2HD2 LEU 65 14.505 -17.758 3.767 517 HD23 LEU 65 3HD2 LEU 65 15.083 -17.151 2.210 518 H VAL 66 H VAL 66 14.362 -15.570 -1.816 519 HA VAL 66 HA VAL 66 13.180 -13.246 -2.935 520 HB VAL 66 HB VAL 66 13.872 -15.848 -4.391 521 HG11 VAL 66 1HG1 VAL 66 13.843 -12.950 -5.357 522 HG12 VAL 66 2HG1 VAL 66 14.311 -14.368 -6.325 523 HG13 VAL 66 3HG1 VAL 66 12.634 -14.181 -5.771 524 HG21 VAL 66 1HG2 VAL 66 15.816 -15.206 -3.060 525 HG22 VAL 66 2HG2 VAL 66 16.131 -14.772 -4.748 526 HG23 VAL 66 3HG2 VAL 66 15.667 -13.510 -3.584 527 H GLY 67 H GLY 67 11.912 -16.544 -2.506 528 HA2 GLY 67 1HA GLY 67 9.706 -17.237 -2.549 529 HA3 GLY 67 2HA GLY 67 9.213 -15.568 -2.858 530 H MET 68 H MET 68 11.468 -16.314 -5.161 531 HA MET 68 HA MET 68 9.352 -16.907 -7.162 532 HB2 MET 68 1HB MET 68 10.833 -14.975 -7.556 533 HB3 MET 68 2HB MET 68 12.248 -16.028 -7.460 534 HG2 MET 68 1HG MET 68 10.384 -17.044 -9.427 535 HG3 MET 68 2HG MET 68 10.766 -15.342 -9.751 536 HE1 MET 68 1HE MET 68 13.055 -14.426 -10.516 537 HE2 MET 68 2HE MET 68 13.722 -14.802 -8.911 538 HE3 MET 68 3HE MET 68 14.593 -15.308 -10.376 539 H TYR 69 H TYR 69 12.614 -18.005 -6.151 540 HA TYR 69 HA TYR 69 12.533 -20.394 -7.772 541 HB2 TYR 69 1HB TYR 69 14.211 -19.813 -5.299 542 HB3 TYR 69 2HB TYR 69 14.548 -21.010 -6.554 543 HD1 TYR 69 HD1 TYR 69 15.063 -17.598 -5.474 544 HD2 TYR 69 HD2 TYR 69 14.996 -20.113 -8.970 545 HE1 TYR 69 HE1 TYR 69 16.363 -15.883 -6.745 546 HE2 TYR 69 HE2 TYR 69 16.309 -18.394 -10.220 547 HH TYR 69 HH TYR 69 17.342 -16.350 -10.134 548 H ASP 70 H ASP 70 11.805 -19.544 -4.413 549 HA ASP 70 HA ASP 70 11.059 -22.287 -3.679 550 HB2 ASP 70 1HB ASP 70 10.833 -19.596 -2.266 551 HB3 ASP 70 2HB ASP 70 10.315 -21.135 -1.555 552 H LYS 71 H LYS 71 9.158 -23.034 -4.504 553 HA LYS 71 HA LYS 71 7.194 -21.280 -5.613 554 HB2 LYS 71 1HB LYS 71 7.044 -24.217 -4.879 555 HB3 LYS 71 2HB LYS 71 5.769 -23.336 -5.730 556 HG2 LYS 71 1HG LYS 71 7.450 -22.736 -7.508 557 HG3 LYS 71 2HG LYS 71 8.618 -23.783 -6.688 558 HD2 LYS 71 1HD LYS 71 7.661 -25.059 -8.474 559 HD3 LYS 71 2HD LYS 71 6.997 -25.697 -6.963 560 HE2 LYS 71 1HE LYS 71 5.231 -25.533 -8.657 561 HE3 LYS 71 2HE LYS 71 4.903 -24.397 -7.338 562 HZ1 LYS 71 1HZ LYS 71 6.109 -23.681 -9.953 563 HZ2 LYS 71 2HZ LYS 71 5.813 -22.622 -8.724 564 HZ3 LYS 71 3HZ LYS 71 4.556 -23.365 -9.494 565 H LYS 72 H LYS 72 7.632 -22.107 -2.316 566 HA LYS 72 HA LYS 72 5.287 -20.556 -1.616 567 HB2 LYS 72 1HB LYS 72 4.174 -22.255 -0.242 568 HB3 LYS 72 2HB LYS 72 4.159 -22.713 -1.943 569 HG2 LYS 72 1HG LYS 72 5.766 -24.441 -1.606 570 HG3 LYS 72 2HG LYS 72 6.236 -23.804 -0.021 571 HD2 LYS 72 1HD LYS 72 4.871 -25.748 0.342 572 HD3 LYS 72 2HD LYS 72 3.962 -24.314 0.848 573 HE2 LYS 72 1HE LYS 72 2.732 -24.350 -1.324 574 HE3 LYS 72 2HE LYS 72 3.624 -25.818 -1.784 575 HZ1 LYS 72 1HZ LYS 72 1.833 -25.563 0.570 576 HZ2 LYS 72 2HZ LYS 72 2.647 -26.930 0.136 577 HZ3 LYS 72 3HZ LYS 72 1.455 -26.341 -0.836 578 HA PRO 73 HA PRO 73 8.062 -20.088 1.814 579 HB2 PRO 73 1HB PRO 73 6.473 -19.283 3.873 580 HB3 PRO 73 2HB PRO 73 6.776 -18.225 2.456 581 HG2 PRO 73 1HG PRO 73 4.440 -20.054 2.987 582 HG3 PRO 73 2HG PRO 73 4.430 -18.320 2.533 583 HD2 PRO 73 1HD PRO 73 4.104 -20.276 0.694 584 HD3 PRO 73 2HD PRO 73 5.023 -18.778 0.313 585 H ALA 74 H ALA 74 8.594 -21.071 3.939 586 HA ALA 74 HA ALA 74 7.988 -23.851 3.998 587 HB1 ALA 74 1HB ALA 74 9.287 -23.863 6.104 588 HB2 ALA 74 2HB ALA 74 10.105 -22.918 4.838 589 HB3 ALA 74 3HB ALA 74 9.232 -22.085 6.154 590 H GLY 75 H GLY 75 6.541 -21.120 5.752 591 HA2 GLY 75 1HA GLY 75 4.565 -21.041 6.924 592 HA3 GLY 75 2HA GLY 75 4.226 -22.676 6.357 593 H SER 76 H SER 76 7.128 -22.087 8.263 594 HA SER 76 HA SER 76 5.790 -23.494 10.529 595 HB2 SER 76 1HB SER 76 8.122 -24.324 11.054 596 HB3 SER 76 2HB SER 76 7.381 -24.959 9.571 597 HG SER 76 HG SER 76 9.485 -24.353 9.126 598 H GLY 77 H GLY 77 9.035 -22.179 10.780 599 HA2 GLY 77 1HA GLY 77 9.741 -20.200 11.898 600 HA3 GLY 77 2HA GLY 77 8.059 -19.867 12.360 601 H GLY 78 H GLY 78 9.352 -19.520 14.492 602 HA2 GLY 78 1HA GLY 78 9.362 -20.307 16.689 603 HA3 GLY 78 2HA GLY 78 8.934 -21.927 16.109 604 H SER 79 H SER 79 10.629 -22.350 17.885 605 HA SER 79 HA SER 79 13.211 -22.862 16.546 606 HB2 SER 79 1HB SER 79 12.968 -21.292 19.152 607 HB3 SER 79 2HB SER 79 14.480 -21.922 18.466 608 HG SER 79 HG SER 79 13.216 -20.527 16.573 609 H GLY 80 H GLY 80 14.536 -24.344 18.001 610 HA2 GLY 80 1HA GLY 80 14.572 -25.762 19.969 611 HA3 GLY 80 2HA GLY 80 12.804 -25.818 19.942 612 H SER 81 H SER 81 13.692 -26.014 16.790 613 HA SER 81 HA SER 81 14.411 -28.880 16.753 614 HB2 SER 81 1HB SER 81 11.948 -27.727 15.368 615 HB3 SER 81 2HB SER 81 12.587 -29.371 15.150 616 HG SER 81 HG SER 81 12.318 -28.926 17.763 617 H GLY 82 H GLY 82 15.028 -29.427 14.428 618 HA2 GLY 82 1HA GLY 82 15.718 -28.647 12.255 619 HA3 GLY 82 2HA GLY 82 15.793 -26.993 12.884 620 H LEU 83 H LEU 83 17.081 -29.989 14.237 621 HA LEU 83 HA LEU 83 19.091 -30.660 14.941 622 HB2 LEU 83 1HB LEU 83 19.489 -29.588 12.262 623 HB3 LEU 83 2HB LEU 83 20.966 -29.538 13.202 624 HG LEU 83 HG LEU 83 20.723 -31.561 11.824 625 HD11 LEU 83 1HD1 LEU 83 22.118 -31.591 13.875 626 HD12 LEU 83 2HD1 LEU 83 21.423 -33.180 13.503 627 HD13 LEU 83 3HD1 LEU 83 20.719 -32.194 14.803 628 HD21 LEU 83 1HD2 LEU 83 19.161 -33.323 12.323 629 HD22 LEU 83 2HD2 LEU 83 18.249 -31.830 12.025 630 HD23 LEU 83 3HD2 LEU 83 18.485 -32.416 13.692 631 H THR 84 H THR 84 21.472 -30.014 15.363 632 HA THR 84 HA THR 84 21.527 -27.404 16.811 633 HB THR 84 HB THR 84 22.677 -28.704 18.685 634 HG1 THR 84 HG1 THR 84 23.244 -30.638 17.909 635 HG21 THR 84 1HG2 THR 84 20.658 -29.603 19.691 636 HG22 THR 84 2HG2 THR 84 19.851 -29.677 18.112 637 HG23 THR 84 3HG2 THR 84 20.251 -28.098 18.833 638 H ASP 85 H ASP 85 23.893 -27.157 17.607 639 HA ASP 85 HA ASP 85 26.103 -26.979 17.234 640 HB2 ASP 85 1HB ASP 85 25.870 -29.718 15.977 641 HB3 ASP 85 2HB ASP 85 27.290 -29.005 16.751 642 H GLU 86 H GLU 86 24.213 -26.393 14.845 643 HA GLU 86 HA GLU 86 26.110 -26.491 12.608 644 HB2 GLU 86 1HB GLU 86 23.586 -26.775 12.404 645 HB3 GLU 86 2HB GLU 86 23.431 -25.048 12.724 646 HG2 GLU 86 1HG GLU 86 24.581 -24.491 10.694 647 HG3 GLU 86 2HG GLU 86 25.148 -26.156 10.487 648 H LEU 87 H LEU 87 27.825 -25.318 13.345 649 HA LEU 87 HA LEU 87 27.587 -22.893 14.835 650 HB2 LEU 87 1HB LEU 87 29.940 -24.091 13.342 651 HB3 LEU 87 2HB LEU 87 30.053 -22.772 14.505 652 HG LEU 87 HG LEU 87 29.033 -25.557 15.187 653 HD11 LEU 87 1HD1 LEU 87 31.241 -25.919 16.214 654 HD12 LEU 87 2HD1 LEU 87 31.786 -24.328 15.628 655 HD13 LEU 87 3HD1 LEU 87 31.389 -25.622 14.471 656 HD21 LEU 87 1HD2 LEU 87 29.468 -24.840 17.529 657 HD22 LEU 87 2HD2 LEU 87 28.223 -23.853 16.748 658 HD23 LEU 87 3HD2 LEU 87 29.870 -23.208 16.944 659 H ALA 88 H ALA 88 27.993 -20.788 14.331 660 HA ALA 88 HA ALA 88 27.206 -20.105 11.647 661 HB1 ALA 88 1HB ALA 88 26.341 -18.997 13.733 662 HB2 ALA 88 2HB ALA 88 27.941 -18.251 13.946 663 HB3 ALA 88 3HB ALA 88 26.954 -17.856 12.516 664 HA PRO 89 HA PRO 89 31.264 -19.016 10.159 665 HB2 PRO 89 1HB PRO 89 30.632 -17.545 7.971 666 HB3 PRO 89 2HB PRO 89 30.251 -19.294 8.043 667 HG2 PRO 89 1HG PRO 89 28.475 -16.945 8.645 668 HG3 PRO 89 2HG PRO 89 28.176 -18.326 7.541 669 HD2 PRO 89 1HD PRO 89 27.226 -18.278 10.079 670 HD3 PRO 89 2HD PRO 89 27.783 -19.799 9.304 671 HA PRO 90 HA PRO 90 32.253 -15.031 11.802 672 HB2 PRO 90 1HB PRO 90 33.692 -14.327 9.250 673 HB3 PRO 90 2HB PRO 90 34.292 -14.291 10.937 674 HG2 PRO 90 1HG PRO 90 35.070 -16.214 9.316 675 HG3 PRO 90 2HG PRO 90 34.581 -16.606 10.999 676 HD2 PRO 90 1HD PRO 90 32.982 -16.872 8.446 677 HD3 PRO 90 2HD PRO 90 33.219 -18.062 9.776 678 H LYS 91 H LYS 91 31.900 -12.752 11.679 679 HA LYS 91 HA LYS 91 29.879 -11.929 9.646 680 HB2 LYS 91 1HB LYS 91 29.389 -10.098 11.285 681 HB3 LYS 91 2HB LYS 91 29.072 -11.712 11.927 682 HG2 LYS 91 1HG LYS 91 31.279 -11.631 13.122 683 HG3 LYS 91 2HG LYS 91 31.484 -9.960 12.573 684 HD2 LYS 91 1HD LYS 91 29.036 -10.835 14.136 685 HD3 LYS 91 2HD LYS 91 30.538 -10.353 14.945 686 HE2 LYS 91 1HE LYS 91 30.434 -8.194 13.764 687 HE3 LYS 91 2HE LYS 91 28.870 -8.695 13.077 688 HZ1 LYS 91 1HZ LYS 91 28.712 -7.329 15.158 689 HZ2 LYS 91 2HZ LYS 91 29.388 -8.578 16.006 690 HZ3 LYS 91 3HZ LYS 91 27.923 -8.765 15.250 691 HA PRO 92 HA PRO 92 33.066 -9.339 7.997 692 HB2 PRO 92 1HB PRO 92 31.691 -7.150 7.063 693 HB3 PRO 92 2HB PRO 92 31.602 -8.758 6.272 694 HG2 PRO 92 1HG PRO 92 29.723 -7.523 8.242 695 HG3 PRO 92 2HG PRO 92 29.362 -8.295 6.672 696 HD2 PRO 92 1HD PRO 92 29.105 -9.603 9.010 697 HD3 PRO 92 2HD PRO 92 29.699 -10.442 7.541 698 HA PRO 93 HA PRO 93 34.103 -6.568 11.264 699 HB2 PRO 93 1HB PRO 93 35.874 -4.833 10.139 700 HB3 PRO 93 2HB PRO 93 36.242 -6.580 10.299 701 HG2 PRO 93 1HG PRO 93 35.133 -5.092 7.933 702 HG3 PRO 93 2HG PRO 93 36.563 -6.173 8.015 703 HD2 PRO 93 1HD PRO 93 34.163 -7.083 7.186 704 HD3 PRO 93 2HD PRO 93 35.239 -8.103 8.204 705 H LEU 94 H LEU 94 34.348 -4.117 11.816 706 HA LEU 94 HA LEU 94 32.415 -2.454 10.301 707 HB2 LEU 94 1HB LEU 94 32.380 -3.147 13.246 708 HB3 LEU 94 2HB LEU 94 31.842 -1.560 12.722 709 HG LEU 94 HG LEU 94 30.614 -4.207 11.893 710 HD11 LEU 94 1HD1 LEU 94 30.176 -3.451 14.221 711 HD12 LEU 94 2HD1 LEU 94 28.721 -3.456 13.199 712 HD13 LEU 94 3HD1 LEU 94 29.543 -1.919 13.561 713 HD21 LEU 94 1HD2 LEU 94 30.388 -2.592 10.063 714 HD22 LEU 94 2HD2 LEU 94 29.788 -1.357 11.195 715 HD23 LEU 94 3HD2 LEU 94 28.836 -2.819 10.865 716 HA PRO 95 HA PRO 95 35.672 0.460 10.721 717 HB2 PRO 95 1HB PRO 95 34.368 2.857 10.618 718 HB3 PRO 95 2HB PRO 95 34.361 1.718 9.236 719 HG2 PRO 95 1HG PRO 95 32.300 2.053 11.407 720 HG3 PRO 95 2HG PRO 95 32.085 2.104 9.625 721 HD2 PRO 95 1HD PRO 95 31.625 -0.150 11.032 722 HD3 PRO 95 2HD PRO 95 32.378 -0.209 9.410 723 H GLU 96 H GLU 96 35.984 2.808 11.880 724 HA GLU 96 HA GLU 96 36.468 3.971 13.665 725 HB2 GLU 96 1HB GLU 96 34.000 3.539 14.211 726 HB3 GLU 96 2HB GLU 96 34.624 2.391 15.398 727 HG2 GLU 96 1HG GLU 96 35.976 4.266 16.361 728 HG3 GLU 96 2HG GLU 96 35.145 5.368 15.267 729 H GLY 97 H GLY 97 37.010 0.866 13.355 730 HA2 GLY 97 1HA GLY 97 39.581 1.113 14.623 731 HA3 GLY 97 2HA GLY 97 38.531 -0.023 15.513 732 H GLU 98 H GLU 98 40.999 -0.351 13.666 733 HA GLU 98 HA GLU 98 39.965 -2.709 12.276 734 HB2 GLU 98 1HB GLU 98 39.569 -0.867 10.627 735 HB3 GLU 98 2HB GLU 98 41.278 -0.433 10.719 736 HG2 GLU 98 1HG GLU 98 40.723 -1.771 8.700 737 HG3 GLU 98 2HG GLU 98 41.930 -2.550 9.729 738 H VAL 99 H VAL 99 41.707 -4.145 11.819 739 HA VAL 99 HA VAL 99 43.939 -3.792 13.637 740 HB VAL 99 HB VAL 99 42.851 -5.988 13.185 741 HG11 VAL 99 1HG1 VAL 99 43.406 -7.290 11.134 742 HG12 VAL 99 2HG1 VAL 99 42.505 -5.834 10.726 743 HG13 VAL 99 3HG1 VAL 99 44.249 -5.889 10.450 744 HG21 VAL 99 1HG2 VAL 99 45.153 -5.889 14.171 745 HG22 VAL 99 2HG2 VAL 99 44.919 -7.347 13.199 746 HG23 VAL 99 3HG2 VAL 99 45.857 -5.991 12.549 747 HXT VAL 99 H02 VAL 99 45.265 -2.667 10.217 Start of MODEL 15 1 H2 GLY 1 2H0 GLY 1 6.401 4.929 5.839 2 H GLY 1 1H0 GLY 1 6.126 3.321 5.877 3 HA2 GLY 1 1HA GLY 1 5.348 3.215 3.656 4 HA3 GLY 1 2HA GLY 1 4.595 4.666 4.373 5 H SER 2 H SER 2 7.815 5.007 4.064 6 HA SER 2 HA SER 2 7.662 7.035 1.991 7 HB2 SER 2 1HB SER 2 9.273 7.083 3.900 8 HB3 SER 2 2HB SER 2 10.121 5.694 3.192 9 HG SER 2 HG SER 2 11.022 7.786 2.667 10 H MET 3 H MET 3 8.465 3.633 2.083 11 HA MET 3 HA MET 3 9.029 2.084 0.501 12 HB2 MET 3 1HB MET 3 7.624 3.994 -1.397 13 HB3 MET 3 2HB MET 3 7.992 2.292 -1.705 14 HG2 MET 3 1HG MET 3 6.560 1.649 0.214 15 HG3 MET 3 2HG MET 3 6.145 3.357 0.453 16 HE1 MET 3 1HE MET 3 3.554 2.975 0.246 17 HE2 MET 3 2HE MET 3 2.797 2.025 -1.056 18 HE3 MET 3 3HE MET 3 3.859 1.224 0.126 19 H LYS 4 H LYS 4 11.164 3.603 1.139 20 HA LYS 4 HA LYS 4 12.567 4.041 -1.468 21 HB2 LYS 4 1HB LYS 4 12.540 5.560 1.071 22 HB3 LYS 4 2HB LYS 4 14.156 5.252 0.439 23 HG2 LYS 4 1HG LYS 4 13.403 7.393 -0.396 24 HG3 LYS 4 2HG LYS 4 13.484 6.246 -1.749 25 HD2 LYS 4 1HD LYS 4 11.046 5.850 -1.512 26 HD3 LYS 4 2HD LYS 4 10.990 7.049 -0.222 27 HE2 LYS 4 1HE LYS 4 11.620 8.792 -1.786 28 HE3 LYS 4 2HE LYS 4 11.830 7.575 -3.081 29 HZ1 LYS 4 1HZ LYS 4 9.517 6.975 -2.841 30 HZ2 LYS 4 2HZ LYS 4 9.598 8.603 -3.107 31 HZ3 LYS 4 3HZ LYS 4 9.300 8.018 -1.590 32 H TYR 5 H TYR 5 12.004 1.573 0.023 33 HA TYR 5 HA TYR 5 14.811 0.666 0.343 34 HB2 TYR 5 1HB TYR 5 12.475 0.286 2.244 35 HB3 TYR 5 2HB TYR 5 13.897 -0.753 2.251 36 HD1 TYR 5 HD1 TYR 5 12.534 2.033 3.832 37 HD2 TYR 5 HD2 TYR 5 16.233 0.711 2.090 38 HE1 TYR 5 HE1 TYR 5 13.806 3.629 5.285 39 HE2 TYR 5 HE2 TYR 5 17.491 2.288 3.528 40 HH TYR 5 HH TYR 5 17.382 3.863 5.157 41 H LEU 6 H LEU 6 14.973 -1.694 0.333 42 HA LEU 6 HA LEU 6 13.676 -2.764 -2.004 43 HB2 LEU 6 1HB LEU 6 15.176 -4.216 0.206 44 HB3 LEU 6 2HB LEU 6 14.858 -4.821 -1.415 45 HG LEU 6 HG LEU 6 16.673 -2.495 -0.755 46 HD11 LEU 6 1HD1 LEU 6 17.522 -4.641 0.096 47 HD12 LEU 6 2HD1 LEU 6 18.499 -4.061 -1.268 48 HD13 LEU 6 3HD1 LEU 6 17.315 -5.369 -1.515 49 HD21 LEU 6 1HD2 LEU 6 16.201 -3.975 -3.366 50 HD22 LEU 6 2HD2 LEU 6 17.463 -2.752 -3.080 51 HD23 LEU 6 3HD2 LEU 6 15.754 -2.291 -3.011 52 H ASN 7 H ASN 7 13.255 -3.196 1.480 53 HA ASN 7 HA ASN 7 11.659 -4.192 2.762 54 HB2 ASN 7 1HB ASN 7 9.915 -3.304 0.436 55 HB3 ASN 7 2HB ASN 7 9.290 -3.882 1.986 56 HD21 ASN 7 1HD2 ASN 7 10.562 -1.021 3.803 57 HD22 ASN 7 2HD2 ASN 7 10.569 -2.760 3.906 58 H VAL 8 H VAL 8 13.087 -6.171 1.699 59 HA VAL 8 HA VAL 8 11.103 -8.169 0.696 60 HB VAL 8 HB VAL 8 12.692 -9.054 -0.675 61 HG11 VAL 8 1HG1 VAL 8 14.347 -6.601 0.002 62 HG12 VAL 8 2HG1 VAL 8 14.382 -7.549 -1.504 63 HG13 VAL 8 3HG1 VAL 8 12.937 -6.607 -1.099 64 HG21 VAL 8 1HG2 VAL 8 15.143 -9.270 -0.060 65 HG22 VAL 8 2HG2 VAL 8 14.682 -8.723 1.562 66 HG23 VAL 8 3HG2 VAL 8 13.989 -10.218 0.888 67 H LEU 9 H LEU 9 11.446 -10.415 1.614 68 HA LEU 9 HA LEU 9 12.084 -10.159 4.515 69 HB2 LEU 9 1HB LEU 9 10.646 -12.355 2.997 70 HB3 LEU 9 2HB LEU 9 10.895 -12.305 4.737 71 HG LEU 9 HG LEU 9 9.221 -10.345 3.124 72 HD11 LEU 9 1HD1 LEU 9 8.246 -12.604 3.290 73 HD12 LEU 9 2HD1 LEU 9 7.319 -11.426 4.240 74 HD13 LEU 9 3HD1 LEU 9 8.422 -12.554 5.062 75 HD21 LEU 9 1HD2 LEU 9 8.434 -9.551 5.354 76 HD22 LEU 9 2HD2 LEU 9 10.149 -9.211 5.076 77 HD23 LEU 9 3HD2 LEU 9 9.672 -10.563 6.130 78 H ALA 10 H ALA 10 13.631 -11.370 5.534 79 HA ALA 10 HA ALA 10 15.111 -13.377 3.878 80 HB1 ALA 10 1HB ALA 10 17.237 -12.504 4.721 81 HB2 ALA 10 2HB ALA 10 16.361 -11.263 3.808 82 HB3 ALA 10 3HB ALA 10 16.378 -11.206 5.587 83 H LYS 11 H LYS 11 15.924 -15.128 5.044 84 HA LYS 11 HA LYS 11 14.935 -15.327 7.863 85 HB2 LYS 11 1HB LYS 11 14.065 -17.036 6.404 86 HB3 LYS 11 2HB LYS 11 15.673 -17.451 5.813 87 HG2 LYS 11 1HG LYS 11 16.292 -18.455 7.860 88 HG3 LYS 11 2HG LYS 11 14.959 -17.702 8.745 89 HD2 LYS 11 1HD LYS 11 14.494 -19.739 6.552 90 HD3 LYS 11 2HD LYS 11 14.771 -20.189 8.250 91 HE2 LYS 11 1HE LYS 11 12.888 -18.483 8.788 92 HE3 LYS 11 2HE LYS 11 12.476 -18.610 7.073 93 HZ1 LYS 11 1HZ LYS 11 12.553 -20.853 9.007 94 HZ2 LYS 11 2HZ LYS 11 12.163 -20.995 7.410 95 HZ3 LYS 11 3HZ LYS 11 11.193 -20.131 8.428 96 H ALA 12 H ALA 12 16.282 -15.690 9.506 97 HA ALA 12 HA ALA 12 19.158 -15.456 9.178 98 HB1 ALA 12 1HB ALA 12 19.133 -15.886 11.641 99 HB2 ALA 12 2HB ALA 12 18.011 -14.595 11.160 100 HB3 ALA 12 3HB ALA 12 17.390 -16.211 11.543 101 H LEU 13 H LEU 13 20.630 -17.065 8.816 102 HA LEU 13 HA LEU 13 19.697 -19.890 8.926 103 HB2 LEU 13 1HB LEU 13 22.351 -18.654 8.156 104 HB3 LEU 13 2HB LEU 13 21.990 -20.362 8.102 105 HG LEU 13 HG LEU 13 21.798 -19.917 5.961 106 HD11 LEU 13 1HD1 LEU 13 19.029 -18.944 6.716 107 HD12 LEU 13 2HD1 LEU 13 19.532 -20.654 6.652 108 HD13 LEU 13 3HD1 LEU 13 19.526 -19.671 5.180 109 HD21 LEU 13 1HD2 LEU 13 22.431 -17.550 6.290 110 HD22 LEU 13 2HD2 LEU 13 20.696 -17.174 6.427 111 HD23 LEU 13 3HD2 LEU 13 21.358 -17.851 4.923 112 H TYR 14 H TYR 14 21.322 -17.570 10.828 113 HA TYR 14 HA TYR 14 22.158 -19.662 12.766 114 HB2 TYR 14 1HB TYR 14 23.914 -17.374 11.794 115 HB3 TYR 14 2HB TYR 14 24.305 -18.528 13.071 116 HD1 TYR 14 HD1 TYR 14 24.107 -17.990 9.443 117 HD2 TYR 14 HD2 TYR 14 24.851 -20.893 12.525 118 HE1 TYR 14 HE1 TYR 14 25.078 -19.536 7.751 119 HE2 TYR 14 HE2 TYR 14 25.864 -22.413 10.846 120 HH TYR 14 HH TYR 14 26.102 -21.549 7.381 121 H ASP 15 H ASP 15 22.637 -18.646 14.881 122 HA ASP 15 HA ASP 15 20.773 -16.526 15.568 123 HB2 ASP 15 1HB ASP 15 23.082 -17.870 17.045 124 HB3 ASP 15 2HB ASP 15 22.105 -16.575 17.754 125 H ASN 16 H ASN 16 21.408 -14.398 16.320 126 HA ASN 16 HA ASN 16 24.211 -13.633 15.693 127 HB2 ASN 16 1HB ASN 16 22.625 -12.977 13.782 128 HB3 ASN 16 2HB ASN 16 21.910 -11.830 14.923 129 HD21 ASN 16 1HD2 ASN 16 24.391 -9.462 14.311 130 HD22 ASN 16 2HD2 ASN 16 22.730 -9.828 14.758 131 H VAL 17 H VAL 17 25.079 -12.531 17.288 132 HA VAL 17 HA VAL 17 23.282 -11.355 19.346 133 HB VAL 17 HB VAL 17 26.221 -12.193 19.538 134 HG11 VAL 17 1HG1 VAL 17 24.326 -11.067 21.657 135 HG12 VAL 17 2HG1 VAL 17 25.969 -11.679 21.959 136 HG13 VAL 17 3HG1 VAL 17 25.738 -10.235 20.956 137 HG21 VAL 17 1HG2 VAL 17 24.726 -14.153 19.490 138 HG22 VAL 17 2HG2 VAL 17 25.381 -13.926 21.123 139 HG23 VAL 17 3HG2 VAL 17 23.709 -13.434 20.761 140 H ALA 18 H ALA 18 23.210 -9.239 19.301 141 HA ALA 18 HA ALA 18 24.681 -7.758 17.305 142 HB1 ALA 18 1HB ALA 18 23.441 -5.825 18.274 143 HB2 ALA 18 2HB ALA 18 22.367 -7.182 17.857 144 HB3 ALA 18 3HB ALA 18 22.823 -6.889 19.556 145 H GLU 19 H GLU 19 26.647 -6.945 17.551 146 HA GLU 19 HA GLU 19 27.722 -6.617 20.342 147 HB2 GLU 19 1HB GLU 19 29.104 -7.136 17.684 148 HB3 GLU 19 2HB GLU 19 29.948 -6.797 19.205 149 HG2 GLU 19 1HG GLU 19 28.913 -8.778 20.225 150 HG3 GLU 19 2HG GLU 19 28.072 -9.134 18.716 151 H SER 20 H SER 20 26.797 -5.105 17.428 152 HA SER 20 HA SER 20 28.082 -2.513 18.205 153 HB2 SER 20 1HB SER 20 28.529 -2.861 15.928 154 HB3 SER 20 2HB SER 20 26.990 -3.682 15.644 155 HG SER 20 HG SER 20 27.325 -1.373 14.900 156 HA PRO 21 HA PRO 21 24.128 -1.329 19.747 157 HB2 PRO 21 1HB PRO 21 24.178 1.393 19.426 158 HB3 PRO 21 2HB PRO 21 25.199 0.538 20.630 159 HG2 PRO 21 1HG PRO 21 25.934 1.447 17.847 160 HG3 PRO 21 2HG PRO 21 26.800 1.728 19.390 161 HD2 PRO 21 1HD PRO 21 27.542 -0.219 17.745 162 HD3 PRO 21 2HD PRO 21 27.554 -0.452 19.528 163 H ASP 22 H ASP 22 25.018 -0.802 16.447 164 HA ASP 22 HA ASP 22 22.279 0.064 15.670 165 HB2 ASP 22 1HB ASP 22 24.748 0.740 14.714 166 HB3 ASP 22 2HB ASP 22 24.328 -0.560 13.617 167 H GLU 23 H GLU 23 23.947 -2.767 16.279 168 HA GLU 23 HA GLU 23 23.005 -4.221 13.918 169 HB2 GLU 23 1HB GLU 23 25.263 -4.527 14.944 170 HB3 GLU 23 2HB GLU 23 24.484 -5.254 16.351 171 HG2 GLU 23 1HG GLU 23 23.584 -7.043 14.917 172 HG3 GLU 23 2HG GLU 23 24.331 -6.284 13.506 173 H LEU 24 H LEU 24 21.584 -5.951 13.913 174 HA LEU 24 HA LEU 24 19.649 -5.967 16.172 175 HB2 LEU 24 1HB LEU 24 19.574 -7.199 13.415 176 HB3 LEU 24 2HB LEU 24 18.345 -7.484 14.639 177 HG LEU 24 HG LEU 24 19.049 -4.787 13.419 178 HD11 LEU 24 1HD1 LEU 24 16.765 -5.006 12.414 179 HD12 LEU 24 2HD1 LEU 24 16.733 -6.689 12.981 180 HD13 LEU 24 3HD1 LEU 24 17.952 -6.170 11.798 181 HD21 LEU 24 1HD2 LEU 24 18.273 -4.430 15.662 182 HD22 LEU 24 2HD2 LEU 24 16.948 -5.609 15.458 183 HD23 LEU 24 3HD2 LEU 24 16.923 -4.066 14.571 184 H SER 25 H SER 25 19.120 -7.691 17.366 185 HA SER 25 HA SER 25 20.898 -10.064 17.154 186 HB2 SER 25 1HB SER 25 20.013 -10.360 19.594 187 HB3 SER 25 2HB SER 25 21.272 -9.147 19.278 188 HG SER 25 HG SER 25 19.644 -8.210 20.509 189 H PHE 26 H PHE 26 20.000 -11.918 16.724 190 HA PHE 26 HA PHE 26 17.126 -12.431 17.141 191 HB2 PHE 26 1HB PHE 26 16.772 -13.032 14.743 192 HB3 PHE 26 2HB PHE 26 16.977 -11.315 15.048 193 HD1 PHE 26 HD1 PHE 26 18.849 -14.353 13.898 194 HD2 PHE 26 HD2 PHE 26 18.566 -10.059 13.919 195 HE1 PHE 26 HE1 PHE 26 20.630 -14.231 12.168 196 HE2 PHE 26 HE2 PHE 26 20.319 -9.928 12.186 197 HZ PHE 26 HZ PHE 26 21.354 -12.031 11.287 198 H ARG 27 H ARG 27 16.487 -14.607 16.218 199 HA ARG 27 HA ARG 27 18.633 -16.578 16.931 200 HB2 ARG 27 1HB ARG 27 16.543 -16.434 18.332 201 HB3 ARG 27 2HB ARG 27 15.583 -16.771 16.893 202 HG2 ARG 27 1HG ARG 27 15.680 -18.805 18.099 203 HG3 ARG 27 2HG ARG 27 16.773 -19.007 16.733 204 HD2 ARG 27 1HD ARG 27 18.109 -19.829 18.393 205 HD3 ARG 27 2HD ARG 27 18.576 -18.125 18.475 206 HE ARG 27 HE ARG 27 16.369 -18.588 20.214 207 HH11 ARG 27 1HH1 ARG 27 19.846 -19.251 20.004 208 HH12 ARG 27 2HH1 ARG 27 19.992 -19.426 21.738 209 HH21 ARG 27 1HH2 ARG 27 16.664 -18.786 22.409 210 HH22 ARG 27 2HH2 ARG 27 18.238 -19.145 23.066 211 H LYS 28 H LYS 28 18.822 -18.482 15.659 212 HA LYS 28 HA LYS 28 18.626 -18.286 12.841 213 HB2 LYS 28 1HB LYS 28 19.988 -19.943 14.045 214 HB3 LYS 28 2HB LYS 28 18.537 -20.681 14.721 215 HG2 LYS 28 1HG LYS 28 17.843 -21.469 12.542 216 HG3 LYS 28 2HG LYS 28 19.191 -20.612 11.773 217 HD2 LYS 28 1HD LYS 28 20.778 -21.966 13.139 218 HD3 LYS 28 2HD LYS 28 19.403 -22.882 13.785 219 HE2 LYS 28 1HE LYS 28 19.315 -24.180 11.950 220 HE3 LYS 28 2HE LYS 28 19.349 -22.763 10.865 221 HZ1 LYS 28 1HZ LYS 28 21.313 -24.167 10.606 222 HZ2 LYS 28 2HZ LYS 28 21.697 -23.975 12.188 223 HZ3 LYS 28 3HZ LYS 28 21.739 -22.666 11.168 224 H GLY 29 H GLY 29 17.012 -18.489 11.436 225 HA2 GLY 29 1HA GLY 29 15.015 -19.481 10.633 226 HA3 GLY 29 2HA GLY 29 14.517 -19.851 12.285 227 H ASP 30 H ASP 30 15.487 -16.794 12.726 228 HA ASP 30 HA ASP 30 12.784 -15.785 12.710 229 HB2 ASP 30 1HB ASP 30 15.501 -14.510 13.173 230 HB3 ASP 30 2HB ASP 30 14.008 -13.569 13.179 231 H ILE 31 H ILE 31 11.990 -13.961 11.560 232 HA ILE 31 HA ILE 31 13.220 -13.649 8.853 233 HB ILE 31 HB ILE 31 10.284 -13.348 9.658 234 HG12 ILE 31 1HG1 ILE 31 10.868 -15.699 9.618 235 HG13 ILE 31 2HG1 ILE 31 9.899 -15.304 8.205 236 HG21 ILE 31 1HG2 ILE 31 10.758 -11.790 7.877 237 HG22 ILE 31 2HG2 ILE 31 11.729 -12.985 6.986 238 HG23 ILE 31 3HG2 ILE 31 9.960 -13.183 7.122 239 HD11 ILE 31 1HD1 ILE 31 12.813 -15.992 8.347 240 HD12 ILE 31 2HD1 ILE 31 11.523 -16.714 7.363 241 HD13 ILE 31 3HD1 ILE 31 12.161 -15.117 6.939 242 H MET 32 H MET 32 13.924 -11.675 8.381 243 HA MET 32 HA MET 32 12.719 -9.370 9.861 244 HB2 MET 32 1HB MET 32 14.929 -8.257 9.747 245 HB3 MET 32 2HB MET 32 14.909 -9.678 10.773 246 HG2 MET 32 1HG MET 32 15.735 -10.791 8.439 247 HG3 MET 32 2HG MET 32 16.423 -9.174 8.303 248 HE1 MET 32 1HE MET 32 15.673 -11.641 11.438 249 HE2 MET 32 2HE MET 32 16.382 -12.627 10.136 250 HE3 MET 32 3HE MET 32 17.302 -12.321 11.626 251 H THR 33 H THR 33 12.705 -7.416 8.738 252 HA THR 33 HA THR 33 12.225 -7.845 5.834 253 HB THR 33 HB THR 33 11.788 -5.401 7.620 254 HG1 THR 33 HG1 THR 33 10.392 -7.084 8.146 255 HG21 THR 33 1HG2 THR 33 10.305 -4.669 5.742 256 HG22 THR 33 2HG2 THR 33 10.963 -5.997 4.756 257 HG23 THR 33 3HG2 THR 33 12.034 -4.688 5.328 258 H VAL 34 H VAL 34 13.946 -7.594 4.492 259 HA VAL 34 HA VAL 34 16.273 -6.025 5.324 260 HB VAL 34 HB VAL 34 15.637 -7.230 2.611 261 HG11 VAL 34 1HG1 VAL 34 18.117 -7.152 2.308 262 HG12 VAL 34 2HG1 VAL 34 17.406 -5.536 2.485 263 HG13 VAL 34 3HG1 VAL 34 18.261 -6.284 3.856 264 HG21 VAL 34 1HG2 VAL 34 15.616 -8.996 4.230 265 HG22 VAL 34 2HG2 VAL 34 17.162 -9.059 3.373 266 HG23 VAL 34 3HG2 VAL 34 17.095 -8.375 5.008 267 H LEU 35 H LEU 35 16.463 -3.940 5.089 268 HA LEU 35 HA LEU 35 14.493 -2.526 3.388 269 HB2 LEU 35 1HB LEU 35 16.503 -1.579 5.451 270 HB3 LEU 35 2HB LEU 35 15.347 -0.545 4.620 271 HG LEU 35 HG LEU 35 14.576 -2.872 6.415 272 HD11 LEU 35 1HD1 LEU 35 14.792 0.088 6.920 273 HD12 LEU 35 2HD1 LEU 35 15.669 -1.241 7.718 274 HD13 LEU 35 3HD1 LEU 35 13.924 -1.053 7.974 275 HD21 LEU 35 1HD2 LEU 35 12.346 -1.789 6.394 276 HD22 LEU 35 2HD2 LEU 35 12.839 -2.349 4.788 277 HD23 LEU 35 3HD2 LEU 35 12.942 -0.619 5.193 278 H GLU 36 H GLU 36 18.045 -2.715 3.992 279 HA GLU 36 HA GLU 36 18.403 -2.441 1.091 280 HB2 GLU 36 1HB GLU 36 19.678 -0.522 1.024 281 HB3 GLU 36 2HB GLU 36 18.366 -0.079 2.104 282 HG2 GLU 36 1HG GLU 36 19.895 -0.564 3.966 283 HG3 GLU 36 2HG GLU 36 21.182 -0.709 2.770 284 H ARG 37 H ARG 37 20.930 -2.541 0.658 285 HA ARG 37 HA ARG 37 22.159 -4.373 2.669 286 HB2 ARG 37 1HB ARG 37 22.230 -4.657 -0.350 287 HB3 ARG 37 2HB ARG 37 23.066 -5.693 0.810 288 HG2 ARG 37 1HG ARG 37 20.787 -6.314 1.737 289 HG3 ARG 37 2HG ARG 37 20.083 -5.458 0.357 290 HD2 ARG 37 1HD ARG 37 21.967 -7.822 0.247 291 HD3 ARG 37 2HD ARG 37 20.239 -7.823 -0.158 292 HE ARG 37 HE ARG 37 21.554 -5.855 -1.735 293 HH11 ARG 37 1HH1 ARG 37 21.478 -9.367 -1.469 294 HH12 ARG 37 2HH1 ARG 37 21.914 -9.596 -3.142 295 HH21 ARG 37 1HH2 ARG 37 22.110 -6.211 -3.845 296 HH22 ARG 37 2HH2 ARG 37 22.263 -7.832 -4.466 297 H ASP 38 H ASP 38 24.410 -4.181 2.754 298 HA ASP 38 HA ASP 38 26.377 -3.090 2.740 299 HB2 ASP 38 1HB ASP 38 25.663 -2.243 -0.077 300 HB3 ASP 38 2HB ASP 38 27.283 -2.431 0.615 301 H THR 39 H THR 39 24.171 -1.979 3.853 302 HA THR 39 HA THR 39 23.623 0.744 3.230 303 HB THR 39 HB THR 39 22.112 -0.647 4.575 304 HG1 THR 39 HG1 THR 39 21.718 1.399 5.114 305 HG21 THR 39 1HG2 THR 39 24.272 -0.663 6.652 306 HG22 THR 39 2HG2 THR 39 23.626 -2.047 5.737 307 HG23 THR 39 3HG2 THR 39 22.592 -1.184 6.880 308 H GLN 40 H GLN 40 24.300 2.642 4.158 309 HA GLN 40 HA GLN 40 25.785 4.154 4.953 310 HB2 GLN 40 1HB GLN 40 26.619 2.176 7.064 311 HB3 GLN 40 2HB GLN 40 26.583 3.933 7.153 312 HG2 GLN 40 1HG GLN 40 24.039 3.691 6.846 313 HG3 GLN 40 2HG GLN 40 24.278 1.982 7.208 314 HE21 GLN 40 1HE2 GLN 40 24.151 2.513 10.631 315 HE22 GLN 40 2HE2 GLN 40 23.884 1.477 9.256 316 H GLY 41 H GLY 41 26.793 1.777 3.154 317 HA2 GLY 41 1HA GLY 41 28.802 1.579 1.984 318 HA3 GLY 41 2HA GLY 41 29.577 2.705 3.117 319 H LEU 42 H LEU 42 27.772 0.245 4.693 320 HA LEU 42 HA LEU 42 30.281 -1.028 5.569 321 HB2 LEU 42 1HB LEU 42 27.400 -1.447 6.391 322 HB3 LEU 42 2HB LEU 42 28.811 -2.097 7.207 323 HG LEU 42 HG LEU 42 28.257 0.868 6.970 324 HD11 LEU 42 1HD1 LEU 42 27.380 0.683 9.264 325 HD12 LEU 42 2HD1 LEU 42 27.521 -1.090 9.166 326 HD13 LEU 42 3HD1 LEU 42 26.400 -0.215 8.088 327 HD21 LEU 42 1HD2 LEU 42 30.574 0.253 7.513 328 HD22 LEU 42 2HD2 LEU 42 29.988 -0.771 8.849 329 HD23 LEU 42 3HD2 LEU 42 29.758 0.988 8.910 330 H ASP 43 H ASP 43 30.893 -2.209 3.762 331 HA ASP 43 HA ASP 43 29.180 -3.707 2.093 332 HB2 ASP 43 1HB ASP 43 32.092 -4.029 2.854 333 HB3 ASP 43 2HB ASP 43 31.293 -5.158 1.748 334 H GLY 44 H GLY 44 28.084 -5.537 2.275 335 HA2 GLY 44 1HA GLY 44 27.700 -7.733 2.990 336 HA3 GLY 44 2HA GLY 44 29.007 -7.593 4.171 337 H TRP 45 H TRP 45 27.480 -4.890 5.024 338 HA TRP 45 HA TRP 45 25.794 -6.293 6.995 339 HB2 TRP 45 1HB TRP 45 26.838 -3.498 6.571 340 HB3 TRP 45 2HB TRP 45 25.633 -3.823 7.783 341 HD1 TRP 45 HD1 TRP 45 29.336 -3.983 7.216 342 HE1 TRP 45 HE1 TRP 45 30.569 -4.958 9.213 343 HE3 TRP 45 HE3 TRP 45 25.261 -5.785 9.679 344 HZ2 TRP 45 HZ2 TRP 45 29.846 -6.454 11.567 345 HZ3 TRP 45 HZ3 TRP 45 25.581 -6.972 11.835 346 HH2 TRP 45 HH2 TRP 45 27.844 -7.319 12.757 347 H TRP 46 H TRP 46 23.616 -6.375 6.838 348 HA TRP 46 HA TRP 46 22.361 -4.781 4.630 349 HB2 TRP 46 1HB TRP 46 21.561 -7.454 5.840 350 HB3 TRP 46 2HB TRP 46 20.638 -6.581 4.609 351 HD1 TRP 46 HD1 TRP 46 24.061 -6.061 3.523 352 HE1 TRP 46 HE1 TRP 46 24.891 -7.714 1.802 353 HE3 TRP 46 HE3 TRP 46 20.385 -9.593 4.132 354 HZ2 TRP 46 HZ2 TRP 46 24.098 -10.285 0.825 355 HZ3 TRP 46 HZ3 TRP 46 20.522 -11.682 2.781 356 HH2 TRP 46 HH2 TRP 46 22.340 -12.007 1.123 357 H LEU 47 H LEU 47 20.951 -3.259 5.222 358 HA LEU 47 HA LEU 47 20.267 -2.891 8.036 359 HB2 LEU 47 1HB LEU 47 20.537 -0.982 6.458 360 HB3 LEU 47 2HB LEU 47 19.207 -1.604 5.492 361 HG LEU 47 HG LEU 47 17.660 -1.185 7.331 362 HD11 LEU 47 1HD1 LEU 47 18.403 0.204 9.261 363 HD12 LEU 47 2HD1 LEU 47 20.083 -0.096 8.768 364 HD13 LEU 47 3HD1 LEU 47 19.036 -1.448 9.262 365 HD21 LEU 47 1HD2 LEU 47 19.364 1.231 6.638 366 HD22 LEU 47 2HD2 LEU 47 17.673 1.263 7.199 367 HD23 LEU 47 3HD2 LEU 47 18.076 0.545 5.625 368 H CYS 48 H CYS 48 18.665 -3.948 9.041 369 HA CYS 48 HA CYS 48 16.307 -4.700 7.393 370 HB2 CYS 48 1HB CYS 48 17.532 -6.526 9.490 371 HB3 CYS 48 2HB CYS 48 16.194 -6.881 8.401 372 HG CYS 48 HG CYS 48 19.362 -6.303 7.647 373 H SER 49 H SER 49 14.475 -5.393 8.800 374 HA SER 49 HA SER 49 14.481 -3.879 11.374 375 HB2 SER 49 1HB SER 49 12.796 -2.584 10.703 376 HB3 SER 49 2HB SER 49 13.133 -3.114 9.063 377 HG SER 49 HG SER 49 10.949 -3.439 9.608 378 H LEU 50 H LEU 50 13.844 -5.005 13.040 379 HA LEU 50 HA LEU 50 12.224 -7.479 12.691 380 HB2 LEU 50 1HB LEU 50 14.646 -8.118 12.516 381 HB3 LEU 50 2HB LEU 50 14.929 -7.335 14.068 382 HG LEU 50 HG LEU 50 12.896 -9.119 14.647 383 HD11 LEU 50 1HD1 LEU 50 13.229 -10.108 12.400 384 HD12 LEU 50 2HD1 LEU 50 13.474 -11.227 13.764 385 HD13 LEU 50 3HD1 LEU 50 14.877 -10.542 12.915 386 HD21 LEU 50 1HD2 LEU 50 15.899 -9.406 14.898 387 HD22 LEU 50 2HD2 LEU 50 14.700 -10.371 15.794 388 HD23 LEU 50 3HD2 LEU 50 14.800 -8.618 16.053 389 H HIS 51 H HIS 51 10.839 -7.659 14.399 390 HA HIS 51 HA HIS 51 9.678 -7.087 16.292 391 HB2 HIS 51 1HB HIS 51 12.437 -6.573 17.463 392 HB3 HIS 51 2HB HIS 51 10.947 -6.839 18.372 393 HD1 HIS 51 HD1 HIS 51 13.453 -8.706 18.712 394 HD2 HIS 51 HD2 HIS 51 10.222 -9.476 16.199 395 HE1 HIS 51 HE1 HIS 51 13.381 -11.209 18.342 396 H GLY 52 H GLY 52 10.308 -4.900 14.347 397 HA2 GLY 52 1HA GLY 52 9.657 -2.675 14.265 398 HA3 GLY 52 2HA GLY 52 9.374 -2.710 16.007 399 H ARG 53 H ARG 53 12.538 -3.813 15.280 400 HA ARG 53 HA ARG 53 13.635 -1.093 15.888 401 HB2 ARG 53 1HB ARG 53 13.850 -3.255 17.482 402 HB3 ARG 53 2HB ARG 53 15.134 -3.673 16.361 403 HG2 ARG 53 1HG ARG 53 15.017 -1.062 17.942 404 HG3 ARG 53 2HG ARG 53 15.904 -2.509 18.450 405 HD2 ARG 53 1HD ARG 53 17.120 -2.375 16.204 406 HD3 ARG 53 2HD ARG 53 16.438 -0.762 16.039 407 HE ARG 53 HE ARG 53 18.603 -1.620 17.816 408 HH11 ARG 53 1HH1 ARG 53 16.392 1.012 16.999 409 HH12 ARG 53 2HH1 ARG 53 17.434 2.218 17.701 410 HH21 ARG 53 1HH2 ARG 53 19.885 -0.021 18.662 411 HH22 ARG 53 2HH2 ARG 53 19.361 1.639 18.634 412 H GLN 54 H GLN 54 15.141 -0.372 14.425 413 HA GLN 54 HA GLN 54 15.610 -2.075 12.029 414 HB2 GLN 54 1HB GLN 54 15.064 0.737 12.510 415 HB3 GLN 54 2HB GLN 54 16.589 0.536 11.635 416 HG2 GLN 54 1HG GLN 54 15.424 -0.836 9.982 417 HG3 GLN 54 2HG GLN 54 13.907 -0.602 10.865 418 HE21 GLN 54 1HE2 GLN 54 15.545 2.698 9.000 419 HE22 GLN 54 2HE2 GLN 54 16.594 1.524 9.757 420 H GLY 55 H GLY 55 17.720 -2.544 11.373 421 HA2 GLY 55 1HA GLY 55 19.991 -1.153 12.373 422 HA3 GLY 55 2HA GLY 55 19.718 -2.583 13.375 423 H ILE 56 H ILE 56 22.065 -2.422 12.090 424 HA ILE 56 HA ILE 56 21.899 -3.711 9.462 425 HB ILE 56 HB ILE 56 24.370 -3.698 9.478 426 HG12 ILE 56 1HG1 ILE 56 24.047 -2.730 12.376 427 HG13 ILE 56 2HG1 ILE 56 24.667 -4.305 11.884 428 HG21 ILE 56 1HG2 ILE 56 23.433 -1.050 10.711 429 HG22 ILE 56 2HG2 ILE 56 24.664 -1.329 9.455 430 HG23 ILE 56 3HG2 ILE 56 22.951 -1.574 9.075 431 HD11 ILE 56 1HD1 ILE 56 26.527 -3.041 10.678 432 HD12 ILE 56 2HD1 ILE 56 25.961 -1.593 11.547 433 HD13 ILE 56 3HD1 ILE 56 26.549 -3.001 12.455 434 H VAL 57 H VAL 57 22.770 -5.733 8.940 435 HA VAL 57 HA VAL 57 23.032 -7.726 11.145 436 HB VAL 57 HB VAL 57 21.252 -8.040 8.714 437 HG11 VAL 57 1HG1 VAL 57 20.554 -10.160 9.764 438 HG12 VAL 57 2HG1 VAL 57 22.210 -10.124 9.129 439 HG13 VAL 57 3HG1 VAL 57 21.920 -9.953 10.872 440 HG21 VAL 57 1HG2 VAL 57 20.549 -7.735 11.622 441 HG22 VAL 57 2HG2 VAL 57 20.131 -6.623 10.302 442 HG23 VAL 57 3HG2 VAL 57 19.387 -8.233 10.366 443 HA PRO 58 HA PRO 58 26.232 -8.771 8.229 444 HB2 PRO 58 1HB PRO 58 27.006 -11.245 9.109 445 HB3 PRO 58 2HB PRO 58 27.389 -9.738 10.000 446 HG2 PRO 58 1HG PRO 58 25.160 -11.687 10.480 447 HG3 PRO 58 2HG PRO 58 26.315 -10.985 11.652 448 HD2 PRO 58 1HD PRO 58 23.807 -9.999 11.283 449 HD3 PRO 58 2HD PRO 58 25.187 -8.947 11.697 450 H GLY 59 H GLY 59 25.725 -9.256 6.160 451 HA2 GLY 59 1HA GLY 59 23.516 -10.843 5.391 452 HA3 GLY 59 2HA GLY 59 24.866 -10.366 4.348 453 H ASN 60 H ASN 60 26.791 -11.787 6.178 454 HA ASN 60 HA ASN 60 26.861 -14.288 4.823 455 HB2 ASN 60 1HB ASN 60 28.624 -12.826 6.306 456 HB3 ASN 60 2HB ASN 60 28.225 -14.106 7.461 457 HD21 ASN 60 1HD2 ASN 60 29.486 -16.679 5.173 458 HD22 ASN 60 2HD2 ASN 60 28.035 -16.357 6.104 459 H ARG 61 H ARG 61 24.944 -13.325 7.539 460 HA ARG 61 HA ARG 61 24.491 -16.209 8.237 461 HB2 ARG 61 1HB ARG 61 24.075 -13.708 9.916 462 HB3 ARG 61 2HB ARG 61 23.668 -15.354 10.420 463 HG2 ARG 61 1HG ARG 61 26.050 -16.002 10.250 464 HG3 ARG 61 2HG ARG 61 26.468 -14.350 9.760 465 HD2 ARG 61 1HD ARG 61 25.653 -13.484 11.913 466 HD3 ARG 61 2HD ARG 61 25.175 -15.121 12.401 467 HE ARG 61 HE ARG 61 27.922 -15.202 11.686 468 HH11 ARG 61 1HH1 ARG 61 25.958 -13.716 14.233 469 HH12 ARG 61 2HH1 ARG 61 27.261 -13.814 15.391 470 HH21 ARG 61 1HH2 ARG 61 29.497 -15.264 13.189 471 HH22 ARG 61 2HH2 ARG 61 29.235 -14.648 14.810 472 H LEU 62 H LEU 62 23.247 -14.040 6.224 473 HA LEU 62 HA LEU 62 20.419 -14.692 6.959 474 HB2 LEU 62 1HB LEU 62 21.722 -12.187 6.046 475 HB3 LEU 62 2HB LEU 62 20.200 -12.585 5.264 476 HG LEU 62 HG LEU 62 20.625 -12.190 8.220 477 HD11 LEU 62 1HD1 LEU 62 20.712 -10.152 6.839 478 HD12 LEU 62 2HD1 LEU 62 19.247 -10.183 7.837 479 HD13 LEU 62 3HD1 LEU 62 19.147 -10.582 6.104 480 HD21 LEU 62 1HD2 LEU 62 18.146 -12.988 6.691 481 HD22 LEU 62 2HD2 LEU 62 18.084 -12.201 8.279 482 HD23 LEU 62 3HD2 LEU 62 18.874 -13.762 8.110 483 H LYS 63 H LYS 63 18.942 -15.078 5.391 484 HA LYS 63 HA LYS 63 20.035 -15.511 2.627 485 HB2 LYS 63 1HB LYS 63 19.721 -17.689 3.710 486 HB3 LYS 63 2HB LYS 63 18.075 -17.265 4.162 487 HG2 LYS 63 1HG LYS 63 17.431 -17.191 1.786 488 HG3 LYS 63 2HG LYS 63 19.088 -17.595 1.307 489 HD2 LYS 63 1HD LYS 63 17.394 -19.358 3.118 490 HD3 LYS 63 2HD LYS 63 17.427 -19.525 1.352 491 HE2 LYS 63 1HE LYS 63 19.854 -19.887 1.407 492 HE3 LYS 63 2HE LYS 63 19.847 -19.714 3.165 493 HZ1 LYS 63 1HZ LYS 63 19.859 -22.032 2.522 494 HZ2 LYS 63 2HZ LYS 63 18.462 -21.856 1.662 495 HZ3 LYS 63 3HZ LYS 63 18.451 -21.685 3.304 496 H ILE 64 H ILE 64 19.076 -14.217 1.257 497 HA ILE 64 HA ILE 64 16.605 -12.852 1.865 498 HB ILE 64 HB ILE 64 17.959 -13.287 -0.839 499 HG12 ILE 64 1HG1 ILE 64 19.500 -12.217 0.762 500 HG13 ILE 64 2HG1 ILE 64 19.026 -11.150 -0.545 501 HG21 ILE 64 1HG2 ILE 64 15.724 -12.516 -1.187 502 HG22 ILE 64 2HG2 ILE 64 15.854 -11.354 0.145 503 HG23 ILE 64 3HG2 ILE 64 16.772 -11.090 -1.353 504 HD11 ILE 64 1HD1 ILE 64 18.040 -11.030 2.324 505 HD12 ILE 64 2HD1 ILE 64 19.084 -9.864 1.492 506 HD13 ILE 64 3HD1 ILE 64 17.391 -10.015 1.012 507 H LEU 65 H LEU 65 14.574 -13.610 1.610 508 HA LEU 65 HA LEU 65 14.324 -16.330 0.495 509 HB2 LEU 65 1HB LEU 65 12.295 -14.571 1.898 510 HB3 LEU 65 2HB LEU 65 12.055 -16.255 1.422 511 HG LEU 65 HG LEU 65 14.056 -15.241 3.469 512 HD11 LEU 65 1HD1 LEU 65 11.721 -15.147 4.188 513 HD12 LEU 65 2HD1 LEU 65 12.596 -16.415 5.052 514 HD13 LEU 65 3HD1 LEU 65 11.494 -16.852 3.730 515 HD21 LEU 65 1HD2 LEU 65 14.354 -17.727 3.967 516 HD22 LEU 65 2HD2 LEU 65 15.069 -17.184 2.444 517 HD23 LEU 65 3HD2 LEU 65 13.518 -18.064 2.438 518 H VAL 66 H VAL 66 14.897 -15.391 -1.646 519 HA VAL 66 HA VAL 66 12.830 -14.011 -3.150 520 HB VAL 66 HB VAL 66 15.034 -15.915 -4.154 521 HG11 VAL 66 1HG1 VAL 66 13.344 -15.509 -5.889 522 HG12 VAL 66 2HG1 VAL 66 13.432 -13.753 -5.607 523 HG13 VAL 66 3HG1 VAL 66 14.826 -14.623 -6.293 524 HG21 VAL 66 1HG2 VAL 66 16.323 -13.806 -4.617 525 HG22 VAL 66 2HG2 VAL 66 15.089 -12.899 -3.711 526 HG23 VAL 66 3HG2 VAL 66 16.085 -14.127 -2.890 527 H GLY 67 H GLY 67 13.456 -17.224 -1.998 528 HA2 GLY 67 1HA GLY 67 11.845 -18.927 -1.803 529 HA3 GLY 67 2HA GLY 67 10.883 -18.166 -3.082 530 H MET 68 H MET 68 11.657 -18.339 -5.306 531 HA MET 68 HA MET 68 13.634 -20.463 -5.837 532 HB2 MET 68 1HB MET 68 12.108 -21.845 -7.097 533 HB3 MET 68 2HB MET 68 11.507 -21.691 -5.447 534 HG2 MET 68 1HG MET 68 10.449 -20.023 -7.765 535 HG3 MET 68 2HG MET 68 9.769 -21.583 -7.295 536 HE1 MET 68 1HE MET 68 8.493 -18.352 -7.394 537 HE2 MET 68 2HE MET 68 8.402 -17.627 -5.771 538 HE3 MET 68 3HE MET 68 9.973 -17.770 -6.595 539 H TYR 69 H TYR 69 14.004 -20.705 -8.170 540 HA TYR 69 HA TYR 69 13.033 -18.655 -9.990 541 HB2 TYR 69 1HB TYR 69 15.435 -17.819 -10.424 542 HB3 TYR 69 2HB TYR 69 14.578 -17.188 -9.022 543 HD1 TYR 69 HD1 TYR 69 15.227 -17.809 -6.719 544 HD2 TYR 69 HD2 TYR 69 17.422 -19.259 -10.127 545 HE1 TYR 69 HE1 TYR 69 17.105 -18.475 -5.227 546 HE2 TYR 69 HE2 TYR 69 19.309 -19.892 -8.627 547 HH TYR 69 HH TYR 69 19.224 -19.298 -5.104 548 H ASP 70 H ASP 70 12.730 -21.302 -10.015 549 HA ASP 70 HA ASP 70 12.904 -23.176 -11.245 550 HB2 ASP 70 1HB ASP 70 14.006 -21.263 -13.309 551 HB3 ASP 70 2HB ASP 70 13.311 -22.857 -13.632 552 H LYS 71 H LYS 71 15.740 -22.132 -10.051 553 HA LYS 71 HA LYS 71 17.604 -23.623 -11.654 554 HB2 LYS 71 1HB LYS 71 18.236 -21.800 -10.078 555 HB3 LYS 71 2HB LYS 71 17.817 -22.859 -8.723 556 HG2 LYS 71 1HG LYS 71 19.579 -24.440 -9.369 557 HG3 LYS 71 2HG LYS 71 19.921 -23.494 -10.827 558 HD2 LYS 71 1HD LYS 71 21.613 -22.949 -9.240 559 HD3 LYS 71 2HD LYS 71 20.529 -21.553 -9.342 560 HE2 LYS 71 1HE LYS 71 19.367 -22.340 -7.273 561 HE3 LYS 71 2HE LYS 71 20.510 -23.698 -7.174 562 HZ1 LYS 71 1HZ LYS 71 21.249 -21.904 -5.778 563 HZ2 LYS 71 2HZ LYS 71 21.184 -20.813 -7.012 564 HZ3 LYS 71 3HZ LYS 71 22.304 -22.027 -7.041 565 H LYS 72 H LYS 72 17.475 -25.697 -11.982 566 HA LYS 72 HA LYS 72 16.054 -27.554 -10.368 567 HB2 LYS 72 1HB LYS 72 18.263 -27.993 -12.411 568 HB3 LYS 72 2HB LYS 72 17.224 -29.268 -11.765 569 HG2 LYS 72 1HG LYS 72 15.231 -28.041 -12.668 570 HG3 LYS 72 2HG LYS 72 16.324 -26.877 -13.429 571 HD2 LYS 72 1HD LYS 72 16.375 -29.870 -13.989 572 HD3 LYS 72 2HD LYS 72 15.465 -28.689 -14.953 573 HE2 LYS 72 1HE LYS 72 17.612 -27.461 -15.398 574 HE3 LYS 72 2HE LYS 72 18.487 -28.765 -14.566 575 HZ1 LYS 72 1HZ LYS 72 18.454 -29.109 -16.956 576 HZ2 LYS 72 2HZ LYS 72 16.806 -29.092 -16.991 577 HZ3 LYS 72 3HZ LYS 72 17.602 -30.313 -16.217 578 HA PRO 73 HA PRO 73 18.983 -28.316 -7.208 579 HB2 PRO 73 1HB PRO 73 18.458 -30.884 -6.430 580 HB3 PRO 73 2HB PRO 73 17.304 -29.542 -6.137 581 HG2 PRO 73 1HG PRO 73 17.339 -31.540 -8.391 582 HG3 PRO 73 2HG PRO 73 15.987 -31.102 -7.297 583 HD2 PRO 73 1HD PRO 73 16.221 -29.998 -9.745 584 HD3 PRO 73 2HD PRO 73 15.671 -29.018 -8.342 585 H ALA 74 H ALA 74 21.003 -29.260 -6.766 586 HA ALA 74 HA ALA 74 22.127 -30.910 -8.988 587 HB1 ALA 74 1HB ALA 74 23.055 -28.628 -8.868 588 HB2 ALA 74 2HB ALA 74 23.534 -28.902 -7.173 589 HB3 ALA 74 3HB ALA 74 24.289 -29.848 -8.477 590 H GLY 75 H GLY 75 21.272 -31.051 -5.700 591 HA2 GLY 75 1HA GLY 75 21.585 -32.750 -4.176 592 HA3 GLY 75 2HA GLY 75 22.460 -33.643 -5.421 593 H SER 76 H SER 76 23.845 -30.579 -4.877 594 HA SER 76 HA SER 76 26.240 -31.831 -3.884 595 HB2 SER 76 1HB SER 76 26.156 -29.962 -5.535 596 HB3 SER 76 2HB SER 76 25.642 -28.873 -4.232 597 HG SER 76 HG SER 76 27.598 -29.332 -3.167 598 H GLY 77 H GLY 77 25.027 -32.600 -1.822 599 HA2 GLY 77 1HA GLY 77 25.425 -32.605 0.453 600 HA3 GLY 77 2HA GLY 77 26.271 -31.072 0.301 601 H GLY 78 H GLY 78 24.116 -29.463 -0.688 602 HA2 GLY 78 1HA GLY 78 22.034 -28.582 -0.005 603 HA3 GLY 78 2HA GLY 78 21.960 -29.758 1.312 604 H SER 79 H SER 79 24.987 -28.482 1.416 605 HA SER 79 HA SER 79 26.079 -26.998 2.739 606 HB2 SER 79 1HB SER 79 23.707 -25.180 2.229 607 HB3 SER 79 2HB SER 79 25.357 -24.690 2.664 608 HG SER 79 HG SER 79 26.075 -25.482 0.691 609 H GLY 80 H GLY 80 24.422 -28.828 4.294 610 HA2 GLY 80 1HA GLY 80 24.734 -27.408 6.792 611 HA3 GLY 80 2HA GLY 80 23.024 -27.727 6.415 612 H SER 81 H SER 81 24.599 -28.914 8.601 613 HA SER 81 HA SER 81 24.091 -31.738 7.946 614 HB2 SER 81 1HB SER 81 26.857 -30.875 8.862 615 HB3 SER 81 2HB SER 81 26.305 -32.532 8.540 616 HG SER 81 HG SER 81 25.732 -31.359 6.357 617 H GLY 82 H GLY 82 24.867 -29.283 10.412 618 HA2 GLY 82 1HA GLY 82 24.228 -29.243 12.620 619 HA3 GLY 82 2HA GLY 82 23.282 -30.708 12.333 620 H LEU 83 H LEU 83 26.723 -30.686 11.653 621 HA LEU 83 HA LEU 83 27.103 -32.800 13.650 622 HB2 LEU 83 1HB LEU 83 29.029 -31.457 11.717 623 HB3 LEU 83 2HB LEU 83 29.428 -32.830 12.746 624 HG LEU 83 HG LEU 83 27.328 -32.878 10.555 625 HD11 LEU 83 1HD1 LEU 83 29.597 -32.531 9.658 626 HD12 LEU 83 2HD1 LEU 83 28.988 -34.153 9.267 627 HD13 LEU 83 3HD1 LEU 83 30.178 -33.943 10.572 628 HD21 LEU 83 1HD2 LEU 83 28.562 -35.104 12.223 629 HD22 LEU 83 2HD2 LEU 83 27.509 -35.350 10.810 630 HD23 LEU 83 3HD2 LEU 83 26.868 -34.556 12.260 631 H THR 84 H THR 84 27.478 -32.308 15.671 632 HA THR 84 HA THR 84 27.995 -31.137 17.561 633 HB THR 84 HB THR 84 30.372 -30.300 17.696 634 HG1 THR 84 HG1 THR 84 30.328 -30.026 15.236 635 HG21 THR 84 1HG2 THR 84 29.733 -32.634 18.264 636 HG22 THR 84 2HG2 THR 84 31.356 -32.537 17.548 637 HG23 THR 84 3HG2 THR 84 29.990 -33.100 16.563 638 H ASP 85 H ASP 85 26.286 -29.695 16.957 639 HA ASP 85 HA ASP 85 25.320 -27.651 17.119 640 HB2 ASP 85 1HB ASP 85 27.273 -27.274 18.775 641 HB3 ASP 85 2HB ASP 85 28.021 -26.331 17.476 642 H GLU 86 H GLU 86 25.429 -25.310 16.111 643 HA GLU 86 HA GLU 86 26.411 -25.597 13.287 644 HB2 GLU 86 1HB GLU 86 23.758 -24.473 14.255 645 HB3 GLU 86 2HB GLU 86 24.382 -24.312 12.605 646 HG2 GLU 86 1HG GLU 86 24.456 -26.795 12.425 647 HG3 GLU 86 2HG GLU 86 23.687 -26.905 14.018 648 H LEU 87 H LEU 87 28.188 -24.600 14.657 649 HA LEU 87 HA LEU 87 28.013 -21.959 15.653 650 HB2 LEU 87 1HB LEU 87 30.367 -23.396 14.379 651 HB3 LEU 87 2HB LEU 87 30.485 -21.898 15.300 652 HG LEU 87 HG LEU 87 29.522 -24.554 16.430 653 HD11 LEU 87 1HD1 LEU 87 31.709 -24.635 17.546 654 HD12 LEU 87 2HD1 LEU 87 32.203 -23.140 16.716 655 HD13 LEU 87 3HD1 LEU 87 31.893 -24.625 15.781 656 HD21 LEU 87 1HD2 LEU 87 28.589 -22.686 17.690 657 HD22 LEU 87 2HD2 LEU 87 30.187 -21.898 17.778 658 HD23 LEU 87 3HD2 LEU 87 29.885 -23.431 18.632 659 H ALA 88 H ALA 88 28.091 -20.000 14.783 660 HA ALA 88 HA ALA 88 27.375 -19.863 12.003 661 HB1 ALA 88 1HB ALA 88 27.798 -17.590 13.969 662 HB2 ALA 88 2HB ALA 88 26.811 -17.578 12.484 663 HB3 ALA 88 3HB ALA 88 26.316 -18.570 13.871 664 HA PRO 89 HA PRO 89 31.265 -18.524 10.318 665 HB2 PRO 89 1HB PRO 89 30.443 -17.056 8.161 666 HB3 PRO 89 2HB PRO 89 30.288 -18.839 8.217 667 HG2 PRO 89 1HG PRO 89 28.239 -16.733 8.867 668 HG3 PRO 89 2HG PRO 89 28.095 -18.141 7.766 669 HD2 PRO 89 1HD PRO 89 27.166 -18.228 10.285 670 HD3 PRO 89 2HD PRO 89 27.957 -19.659 9.537 671 HA PRO 90 HA PRO 90 31.890 -14.574 12.038 672 HB2 PRO 90 1HB PRO 90 33.799 -13.340 10.525 673 HB3 PRO 90 2HB PRO 90 34.149 -14.787 11.524 674 HG2 PRO 90 1HG PRO 90 33.501 -14.633 8.593 675 HG3 PRO 90 2HG PRO 90 34.875 -15.456 9.403 676 HD2 PRO 90 1HD PRO 90 32.656 -16.801 8.676 677 HD3 PRO 90 2HD PRO 90 33.498 -17.189 10.212 678 H LYS 91 H LYS 91 31.646 -12.256 11.852 679 HA LYS 91 HA LYS 91 29.750 -11.475 9.698 680 HB2 LYS 91 1HB LYS 91 29.374 -9.475 11.198 681 HB3 LYS 91 2HB LYS 91 28.897 -11.022 11.900 682 HG2 LYS 91 1HG LYS 91 30.936 -11.072 13.271 683 HG3 LYS 91 2HG LYS 91 31.502 -9.573 12.518 684 HD2 LYS 91 1HD LYS 91 30.586 -9.059 14.696 685 HD3 LYS 91 2HD LYS 91 29.523 -8.377 13.459 686 HE2 LYS 91 1HE LYS 91 27.915 -10.207 13.769 687 HE3 LYS 91 2HE LYS 91 29.031 -11.025 14.888 688 HZ1 LYS 91 1HZ LYS 91 27.749 -8.391 15.355 689 HZ2 LYS 91 2HZ LYS 91 28.824 -9.139 16.382 690 HZ3 LYS 91 3HZ LYS 91 27.340 -9.807 16.092 691 HA PRO 92 HA PRO 92 33.056 -9.148 7.905 692 HB2 PRO 92 1HB PRO 92 31.771 -6.978 6.797 693 HB3 PRO 92 2HB PRO 92 31.667 -8.630 6.111 694 HG2 PRO 92 1HG PRO 92 29.752 -7.201 7.879 695 HG3 PRO 92 2HG PRO 92 29.438 -8.138 6.401 696 HD2 PRO 92 1HD PRO 92 29.079 -9.138 8.888 697 HD3 PRO 92 2HD PRO 92 29.622 -10.162 7.516 698 HA PRO 93 HA PRO 93 34.160 -6.306 11.016 699 HB2 PRO 93 1HB PRO 93 35.912 -4.562 9.883 700 HB3 PRO 93 2HB PRO 93 36.283 -6.309 10.033 701 HG2 PRO 93 1HG PRO 93 35.160 -4.817 7.682 702 HG3 PRO 93 2HG PRO 93 36.583 -5.909 7.751 703 HD2 PRO 93 1HD PRO 93 34.157 -6.777 6.949 704 HD3 PRO 93 2HD PRO 93 35.241 -7.829 7.926 705 H LEU 94 H LEU 94 34.324 -3.976 11.700 706 HA LEU 94 HA LEU 94 32.380 -2.228 10.301 707 HB2 LEU 94 1HB LEU 94 32.381 -3.157 13.180 708 HB3 LEU 94 2HB LEU 94 31.734 -1.579 12.770 709 HG LEU 94 HG LEU 94 30.696 -4.230 11.731 710 HD11 LEU 94 1HD1 LEU 94 30.215 -3.718 14.106 711 HD12 LEU 94 2HD1 LEU 94 28.760 -3.721 13.085 712 HD13 LEU 94 3HD1 LEU 94 29.485 -2.174 13.587 713 HD21 LEU 94 1HD2 LEU 94 28.817 -2.873 10.844 714 HD22 LEU 94 2HD2 LEU 94 30.345 -2.501 10.049 715 HD23 LEU 94 3HD2 LEU 94 29.690 -1.391 11.280 716 HA PRO 95 HA PRO 95 35.348 0.979 11.458 717 HB2 PRO 95 1HB PRO 95 33.813 3.183 11.236 718 HB3 PRO 95 2HB PRO 95 34.123 2.163 9.800 719 HG2 PRO 95 1HG PRO 95 31.765 2.159 11.655 720 HG3 PRO 95 2HG PRO 95 31.792 2.284 9.866 721 HD2 PRO 95 1HD PRO 95 31.397 -0.075 11.191 722 HD3 PRO 95 2HD PRO 95 32.213 0.004 9.601 723 H GLU 96 H GLU 96 34.696 3.267 12.931 724 HA GLU 96 HA GLU 96 34.467 4.131 14.985 725 HB2 GLU 96 1HB GLU 96 32.120 3.029 14.517 726 HB3 GLU 96 2HB GLU 96 32.608 1.972 15.835 727 HG2 GLU 96 1HG GLU 96 32.973 3.965 17.254 728 HG3 GLU 96 2HG GLU 96 32.465 4.997 15.920 729 H GLY 97 H GLY 97 36.335 1.838 14.329 730 HA2 GLY 97 1HA GLY 97 37.438 1.768 17.046 731 HA3 GLY 97 2HA GLY 97 37.144 0.184 16.279 732 H GLU 98 H GLU 98 39.742 1.272 16.966 733 HA GLU 98 HA GLU 98 40.934 2.318 14.515 734 HB2 GLU 98 1HB GLU 98 42.120 1.343 17.139 735 HB3 GLU 98 2HB GLU 98 43.073 2.003 15.806 736 HG2 GLU 98 1HG GLU 98 40.919 3.478 17.359 737 HG3 GLU 98 2HG GLU 98 42.667 3.692 17.535 738 H VAL 99 H VAL 99 42.018 1.249 12.982 739 HA VAL 99 HA VAL 99 41.811 -1.666 12.941 740 HB VAL 99 HB VAL 99 43.066 0.251 10.907 741 HG11 VAL 99 1HG1 VAL 99 43.906 -2.071 10.596 742 HG12 VAL 99 2HG1 VAL 99 42.249 -2.707 10.630 743 HG13 VAL 99 3HG1 VAL 99 42.783 -1.669 9.295 744 HG21 VAL 99 1HG2 VAL 99 40.638 0.739 11.180 745 HG22 VAL 99 2HG2 VAL 99 40.889 -0.084 9.640 746 HG23 VAL 99 3HG2 VAL 99 40.238 -0.977 11.027 747 HXT VAL 99 H02 VAL 99 44.833 -2.432 14.036 Start of MODEL 16 1 H2 GLY 1 2H0 GLY 1 12.569 0.973 -8.584 2 H GLY 1 1H0 GLY 1 13.198 -0.152 -7.576 3 HA2 GLY 1 1HA GLY 1 13.712 1.402 -5.874 4 HA3 GLY 1 2HA GLY 1 14.242 2.141 -7.409 5 H SER 2 H SER 2 10.972 1.894 -7.212 6 HA SER 2 HA SER 2 10.602 4.795 -6.755 7 HB2 SER 2 1HB SER 2 8.226 4.274 -7.316 8 HB3 SER 2 2HB SER 2 9.361 3.707 -8.560 9 HG SER 2 HG SER 2 7.778 2.124 -7.977 10 H MET 3 H MET 3 10.416 1.816 -5.031 11 HA MET 3 HA MET 3 8.645 2.854 -2.921 12 HB2 MET 3 1HB MET 3 8.731 0.433 -3.786 13 HB3 MET 3 2HB MET 3 10.272 0.285 -2.934 14 HG2 MET 3 1HG MET 3 9.162 0.747 -0.802 15 HG3 MET 3 2HG MET 3 7.625 1.029 -1.643 16 HE1 MET 3 1HE MET 3 7.560 -0.918 0.720 17 HE2 MET 3 2HE MET 3 6.162 -0.769 -0.374 18 HE3 MET 3 3HE MET 3 6.790 -2.378 0.057 19 H LYS 4 H LYS 4 9.384 3.251 -0.763 20 HA LYS 4 HA LYS 4 12.211 4.088 -0.553 21 HB2 LYS 4 1HB LYS 4 9.804 4.112 1.312 22 HB3 LYS 4 2HB LYS 4 11.437 4.287 1.957 23 HG2 LYS 4 1HG LYS 4 10.520 6.483 1.708 24 HG3 LYS 4 2HG LYS 4 11.786 6.280 0.488 25 HD2 LYS 4 1HD LYS 4 10.054 5.835 -1.228 26 HD3 LYS 4 2HD LYS 4 8.788 6.036 0.002 27 HE2 LYS 4 1HE LYS 4 9.482 8.362 0.355 28 HE3 LYS 4 2HE LYS 4 10.819 8.154 -0.801 29 HZ1 LYS 4 1HZ LYS 4 8.915 9.186 -1.861 30 HZ2 LYS 4 2HZ LYS 4 7.935 7.921 -1.456 31 HZ3 LYS 4 3HZ LYS 4 9.172 7.696 -2.524 32 H TYR 5 H TYR 5 13.722 2.660 -0.028 33 HA TYR 5 HA TYR 5 14.799 0.786 0.482 34 HB2 TYR 5 1HB TYR 5 12.596 0.627 2.520 35 HB3 TYR 5 2HB TYR 5 13.906 -0.526 2.431 36 HD1 TYR 5 HD1 TYR 5 16.333 0.966 1.958 37 HD2 TYR 5 HD2 TYR 5 12.920 2.071 4.348 38 HE1 TYR 5 HE1 TYR 5 17.775 2.449 3.336 39 HE2 TYR 5 HE2 TYR 5 14.391 3.547 5.732 40 HH TYR 5 HH TYR 5 17.904 3.843 5.105 41 H LEU 6 H LEU 6 14.822 -1.582 0.615 42 HA LEU 6 HA LEU 6 13.539 -2.596 -1.761 43 HB2 LEU 6 1HB LEU 6 15.088 -4.044 0.415 44 HB3 LEU 6 2HB LEU 6 14.716 -4.675 -1.176 45 HG LEU 6 HG LEU 6 16.560 -2.348 -0.653 46 HD11 LEU 6 1HD1 LEU 6 17.437 -4.470 0.254 47 HD12 LEU 6 2HD1 LEU 6 18.364 -3.956 -1.170 48 HD13 LEU 6 3HD1 LEU 6 17.164 -5.261 -1.318 49 HD21 LEU 6 1HD2 LEU 6 15.563 -2.227 -2.879 50 HD22 LEU 6 2HD2 LEU 6 16.000 -3.925 -3.187 51 HD23 LEU 6 3HD2 LEU 6 17.272 -2.693 -2.987 52 H ASN 7 H ASN 7 13.120 -3.220 1.712 53 HA ASN 7 HA ASN 7 11.560 -4.336 2.926 54 HB2 ASN 7 1HB ASN 7 9.725 -3.529 0.655 55 HB3 ASN 7 2HB ASN 7 9.210 -4.085 2.255 56 HD21 ASN 7 1HD2 ASN 7 10.304 -0.268 1.652 57 HD22 ASN 7 2HD2 ASN 7 10.232 -1.456 0.371 58 H VAL 8 H VAL 8 13.076 -6.187 1.768 59 HA VAL 8 HA VAL 8 11.177 -8.219 0.672 60 HB VAL 8 HB VAL 8 12.860 -9.069 -0.636 61 HG11 VAL 8 1HG1 VAL 8 14.341 -6.503 0.053 62 HG12 VAL 8 2HG1 VAL 8 14.445 -7.444 -1.454 63 HG13 VAL 8 3HG1 VAL 8 12.941 -6.586 -1.058 64 HG21 VAL 8 1HG2 VAL 8 15.306 -9.096 0.074 65 HG22 VAL 8 2HG2 VAL 8 14.748 -8.525 1.650 66 HG23 VAL 8 3HG2 VAL 8 14.187 -10.083 1.033 67 H LEU 9 H LEU 9 11.479 -10.443 1.623 68 HA LEU 9 HA LEU 9 12.059 -10.170 4.532 69 HB2 LEU 9 1HB LEU 9 10.727 -12.406 2.974 70 HB3 LEU 9 2HB LEU 9 10.941 -12.363 4.720 71 HG LEU 9 HG LEU 9 9.239 -10.432 3.104 72 HD11 LEU 9 1HD1 LEU 9 7.348 -11.595 4.157 73 HD12 LEU 9 2HD1 LEU 9 8.470 -12.708 4.975 74 HD13 LEU 9 3HD1 LEU 9 8.331 -12.723 3.200 75 HD21 LEU 9 1HD2 LEU 9 9.641 -10.702 6.112 76 HD22 LEU 9 2HD2 LEU 9 8.383 -9.713 5.337 77 HD23 LEU 9 3HD2 LEU 9 10.092 -9.312 5.099 78 H ALA 10 H ALA 10 13.571 -11.427 5.597 79 HA ALA 10 HA ALA 10 15.147 -13.349 3.947 80 HB1 ALA 10 1HB ALA 10 16.313 -11.177 3.894 81 HB2 ALA 10 2HB ALA 10 16.358 -11.163 5.670 82 HB3 ALA 10 3HB ALA 10 17.239 -12.415 4.759 83 H LYS 11 H LYS 11 15.969 -15.077 5.080 84 HA LYS 11 HA LYS 11 14.992 -15.334 7.900 85 HB2 LYS 11 1HB LYS 11 14.133 -17.012 6.365 86 HB3 LYS 11 2HB LYS 11 15.760 -17.437 5.843 87 HG2 LYS 11 1HG LYS 11 16.294 -18.362 8.011 88 HG3 LYS 11 2HG LYS 11 14.798 -17.743 8.719 89 HD2 LYS 11 1HD LYS 11 14.817 -19.773 6.467 90 HD3 LYS 11 2HD LYS 11 14.901 -20.230 8.180 91 HE2 LYS 11 1HE LYS 11 12.787 -18.923 8.578 92 HE3 LYS 11 2HE LYS 11 12.661 -18.691 6.821 93 HZ1 LYS 11 1HZ LYS 11 12.653 -21.138 6.624 94 HZ2 LYS 11 2HZ LYS 11 11.354 -20.560 7.459 95 HZ3 LYS 11 3HZ LYS 11 12.601 -21.272 8.269 96 H ALA 12 H ALA 12 16.308 -15.773 9.539 97 HA ALA 12 HA ALA 12 19.199 -15.521 9.219 98 HB1 ALA 12 1HB ALA 12 18.006 -14.644 11.175 99 HB2 ALA 12 2HB ALA 12 17.397 -16.261 11.569 100 HB3 ALA 12 3HB ALA 12 19.132 -15.913 11.681 101 H LEU 13 H LEU 13 20.591 -17.148 8.686 102 HA LEU 13 HA LEU 13 19.674 -19.972 8.903 103 HB2 LEU 13 1HB LEU 13 22.317 -18.767 8.035 104 HB3 LEU 13 2HB LEU 13 21.929 -20.469 8.005 105 HG LEU 13 HG LEU 13 21.768 -19.992 5.845 106 HD11 LEU 13 1HD1 LEU 13 19.548 -20.853 6.543 107 HD12 LEU 13 2HD1 LEU 13 19.484 -19.861 5.073 108 HD13 LEU 13 3HD1 LEU 13 18.952 -19.174 6.627 109 HD21 LEU 13 1HD2 LEU 13 20.475 -17.325 6.297 110 HD22 LEU 13 2HD2 LEU 13 21.248 -17.959 4.828 111 HD23 LEU 13 3HD2 LEU 13 22.240 -17.570 6.232 112 H TYR 14 H TYR 14 21.356 -17.604 10.689 113 HA TYR 14 HA TYR 14 22.145 -19.624 12.707 114 HB2 TYR 14 1HB TYR 14 23.982 -17.412 11.709 115 HB3 TYR 14 2HB TYR 14 24.336 -18.594 12.974 116 HD1 TYR 14 HD1 TYR 14 24.820 -20.976 12.374 117 HD2 TYR 14 HD2 TYR 14 24.115 -18.002 9.348 118 HE1 TYR 14 HE1 TYR 14 25.763 -22.498 10.645 119 HE2 TYR 14 HE2 TYR 14 25.026 -19.543 7.619 120 HH TYR 14 HH TYR 14 25.942 -21.584 7.194 121 H ASP 15 H ASP 15 22.441 -18.483 14.816 122 HA ASP 15 HA ASP 15 20.622 -16.182 15.002 123 HB2 ASP 15 1HB ASP 15 21.150 -16.340 17.426 124 HB3 ASP 15 2HB ASP 15 20.546 -17.858 16.747 125 H ASN 16 H ASN 16 21.393 -14.247 16.259 126 HA ASN 16 HA ASN 16 24.237 -13.615 15.701 127 HB2 ASN 16 1HB ASN 16 22.728 -12.884 13.755 128 HB3 ASN 16 2HB ASN 16 21.999 -11.739 14.887 129 HD21 ASN 16 1HD2 ASN 16 24.505 -9.399 14.318 130 HD22 ASN 16 2HD2 ASN 16 22.817 -9.754 14.664 131 H VAL 17 H VAL 17 25.115 -12.436 17.259 132 HA VAL 17 HA VAL 17 23.317 -11.285 19.330 133 HB VAL 17 HB VAL 17 26.263 -12.100 19.493 134 HG11 VAL 17 1HG1 VAL 17 26.030 -11.597 21.919 135 HG12 VAL 17 2HG1 VAL 17 25.780 -10.150 20.924 136 HG13 VAL 17 3HG1 VAL 17 24.379 -10.995 21.633 137 HG21 VAL 17 1HG2 VAL 17 24.757 -14.065 19.444 138 HG22 VAL 17 2HG2 VAL 17 25.450 -13.853 21.066 139 HG23 VAL 17 3HG2 VAL 17 23.770 -13.359 20.743 140 H ALA 18 H ALA 18 23.221 -9.176 19.300 141 HA ALA 18 HA ALA 18 24.670 -7.673 17.295 142 HB1 ALA 18 1HB ALA 18 22.747 -6.848 19.505 143 HB2 ALA 18 2HB ALA 18 23.373 -5.762 18.245 144 HB3 ALA 18 3HB ALA 18 22.346 -7.143 17.792 145 H GLU 19 H GLU 19 26.603 -6.787 17.558 146 HA GLU 19 HA GLU 19 27.630 -6.416 20.360 147 HB2 GLU 19 1HB GLU 19 29.086 -6.847 17.725 148 HB3 GLU 19 2HB GLU 19 29.874 -6.552 19.285 149 HG2 GLU 19 1HG GLU 19 28.869 -8.605 20.193 150 HG3 GLU 19 2HG GLU 19 28.053 -8.904 18.656 151 H SER 20 H SER 20 26.869 -4.942 17.312 152 HA SER 20 HA SER 20 28.047 -2.325 18.146 153 HB2 SER 20 1HB SER 20 28.466 -2.966 15.835 154 HB3 SER 20 2HB SER 20 26.758 -3.341 15.583 155 HG SER 20 HG SER 20 28.033 -0.859 15.725 156 HA PRO 21 HA PRO 21 24.040 -1.112 19.587 157 HB2 PRO 21 1HB PRO 21 24.126 1.605 19.219 158 HB3 PRO 21 2HB PRO 21 25.081 0.766 20.484 159 HG2 PRO 21 1HG PRO 21 25.951 1.606 17.719 160 HG3 PRO 21 2HG PRO 21 26.746 1.921 19.295 161 HD2 PRO 21 1HD PRO 21 27.564 -0.063 17.755 162 HD3 PRO 21 2HD PRO 21 27.456 -0.265 19.536 163 H ASP 22 H ASP 22 25.062 -0.664 16.309 164 HA ASP 22 HA ASP 22 22.353 0.152 15.418 165 HB2 ASP 22 1HB ASP 22 25.096 0.004 14.184 166 HB3 ASP 22 2HB ASP 22 23.686 -0.138 13.129 167 H GLU 23 H GLU 23 23.876 -2.734 16.252 168 HA GLU 23 HA GLU 23 22.999 -4.184 13.846 169 HB2 GLU 23 1HB GLU 23 25.241 -4.470 14.916 170 HB3 GLU 23 2HB GLU 23 24.438 -5.198 16.308 171 HG2 GLU 23 1HG GLU 23 23.587 -6.996 14.861 172 HG3 GLU 23 2HG GLU 23 24.358 -6.233 13.464 173 H LEU 24 H LEU 24 21.567 -5.892 13.808 174 HA LEU 24 HA LEU 24 19.613 -5.928 16.050 175 HB2 LEU 24 1HB LEU 24 19.573 -7.171 13.294 176 HB3 LEU 24 2HB LEU 24 18.340 -7.466 14.511 177 HG LEU 24 HG LEU 24 19.000 -4.777 13.273 178 HD11 LEU 24 1HD1 LEU 24 17.912 -6.216 11.682 179 HD12 LEU 24 2HD1 LEU 24 16.728 -5.035 12.272 180 HD13 LEU 24 3HD1 LEU 24 16.694 -6.705 12.881 181 HD21 LEU 24 1HD2 LEU 24 16.881 -4.064 14.432 182 HD22 LEU 24 2HD2 LEU 24 18.230 -4.420 15.526 183 HD23 LEU 24 3HD2 LEU 24 16.910 -5.605 15.323 184 H SER 25 H SER 25 19.114 -7.647 17.247 185 HA SER 25 HA SER 25 20.928 -10.000 17.051 186 HB2 SER 25 1HB SER 25 19.556 -10.001 19.518 187 HB3 SER 25 2HB SER 25 21.272 -9.630 19.250 188 HG SER 25 HG SER 25 20.703 -7.450 18.975 189 H PHE 26 H PHE 26 19.999 -11.874 16.623 190 HA PHE 26 HA PHE 26 17.128 -12.336 17.083 191 HB2 PHE 26 1HB PHE 26 16.723 -12.981 14.706 192 HB3 PHE 26 2HB PHE 26 16.939 -11.256 14.972 193 HD1 PHE 26 HD1 PHE 26 18.896 -14.311 13.926 194 HD2 PHE 26 HD2 PHE 26 18.396 -10.048 13.657 195 HE1 PHE 26 HE1 PHE 26 20.597 -14.224 12.105 196 HE2 PHE 26 HE2 PHE 26 20.061 -9.963 11.854 197 HZ PHE 26 HZ PHE 26 21.146 -12.059 11.018 198 H ARG 27 H ARG 27 16.484 -14.582 16.246 199 HA ARG 27 HA ARG 27 18.729 -16.425 16.939 200 HB2 ARG 27 1HB ARG 27 16.728 -16.316 18.445 201 HB3 ARG 27 2HB ARG 27 15.708 -16.791 17.087 202 HG2 ARG 27 1HG ARG 27 16.073 -18.713 18.483 203 HG3 ARG 27 2HG ARG 27 16.935 -18.954 16.965 204 HD2 ARG 27 1HD ARG 27 19.025 -18.082 18.163 205 HD3 ARG 27 2HD ARG 27 18.111 -18.218 19.670 206 HE ARG 27 HE ARG 27 17.805 -20.696 18.567 207 HH11 ARG 27 1HH1 ARG 27 20.724 -18.775 19.157 208 HH12 ARG 27 2HH1 ARG 27 21.731 -20.185 19.291 209 HH21 ARG 27 1HH2 ARG 27 19.167 -22.448 18.795 210 HH22 ARG 27 2HH2 ARG 27 20.865 -22.216 19.112 211 H LYS 28 H LYS 28 18.852 -18.433 15.772 212 HA LYS 28 HA LYS 28 18.671 -18.267 12.947 213 HB2 LYS 28 1HB LYS 28 20.108 -19.852 14.176 214 HB3 LYS 28 2HB LYS 28 18.690 -20.649 14.855 215 HG2 LYS 28 1HG LYS 28 18.060 -21.530 12.710 216 HG3 LYS 28 2HG LYS 28 19.311 -20.579 11.897 217 HD2 LYS 28 1HD LYS 28 21.054 -21.767 13.164 218 HD3 LYS 28 2HD LYS 28 19.816 -22.723 13.999 219 HE2 LYS 28 1HE LYS 28 19.717 -24.196 12.301 220 HE3 LYS 28 2HE LYS 28 19.510 -22.892 11.103 221 HZ1 LYS 28 1HZ LYS 28 21.861 -22.568 11.054 222 HZ2 LYS 28 2HZ LYS 28 21.602 -24.187 10.835 223 HZ3 LYS 28 3HZ LYS 28 22.117 -23.633 12.289 224 H GLY 29 H GLY 29 17.053 -18.561 11.551 225 HA2 GLY 29 1HA GLY 29 15.070 -19.613 10.789 226 HA3 GLY 29 2HA GLY 29 14.587 -19.945 12.455 227 H ASP 30 H ASP 30 15.526 -16.865 12.802 228 HA ASP 30 HA ASP 30 12.807 -15.885 12.772 229 HB2 ASP 30 1HB ASP 30 15.507 -14.567 13.223 230 HB3 ASP 30 2HB ASP 30 13.995 -13.663 13.256 231 H ILE 31 H ILE 31 12.062 -13.989 11.636 232 HA ILE 31 HA ILE 31 13.276 -13.709 8.919 233 HB ILE 31 HB ILE 31 10.331 -13.461 9.718 234 HG12 ILE 31 1HG1 ILE 31 10.967 -15.801 9.696 235 HG13 ILE 31 2HG1 ILE 31 9.966 -15.438 8.296 236 HG21 ILE 31 1HG2 ILE 31 11.743 -13.084 7.029 237 HG22 ILE 31 2HG2 ILE 31 9.984 -13.321 7.183 238 HG23 ILE 31 3HG2 ILE 31 10.755 -11.904 7.922 239 HD11 ILE 31 1HD1 ILE 31 11.609 -16.833 7.448 240 HD12 ILE 31 2HD1 ILE 31 12.204 -15.227 6.989 241 HD13 ILE 31 3HD1 ILE 31 12.898 -16.067 8.397 242 H MET 32 H MET 32 13.901 -11.702 8.384 243 HA MET 32 HA MET 32 12.665 -9.411 9.861 244 HB2 MET 32 1HB MET 32 14.867 -8.267 9.707 245 HB3 MET 32 2HB MET 32 14.875 -9.672 10.754 246 HG2 MET 32 1HG MET 32 15.669 -10.779 8.380 247 HG3 MET 32 2HG MET 32 16.378 -9.170 8.294 248 HE1 MET 32 1HE MET 32 15.577 -11.691 11.377 249 HE2 MET 32 2HE MET 32 16.245 -12.657 10.039 250 HE3 MET 32 3HE MET 32 17.192 -12.418 11.525 251 H THR 33 H THR 33 12.650 -7.446 8.725 252 HA THR 33 HA THR 33 12.230 -7.872 5.809 253 HB THR 33 HB THR 33 11.692 -5.464 7.613 254 HG1 THR 33 HG1 THR 33 9.526 -6.180 7.372 255 HG21 THR 33 1HG2 THR 33 10.244 -4.732 5.713 256 HG22 THR 33 2HG2 THR 33 10.938 -6.044 4.728 257 HG23 THR 33 3HG2 THR 33 11.977 -4.723 5.334 258 H VAL 34 H VAL 34 13.979 -7.578 4.511 259 HA VAL 34 HA VAL 34 16.239 -5.941 5.387 260 HB VAL 34 HB VAL 34 15.736 -7.160 2.671 261 HG11 VAL 34 1HG1 VAL 34 18.231 -7.076 2.497 262 HG12 VAL 34 2HG1 VAL 34 17.481 -5.472 2.591 263 HG13 VAL 34 3HG1 VAL 34 18.274 -6.167 4.028 264 HG21 VAL 34 1HG2 VAL 34 17.283 -8.958 3.544 265 HG22 VAL 34 2HG2 VAL 34 17.013 -8.298 5.162 266 HG23 VAL 34 3HG2 VAL 34 15.650 -8.951 4.221 267 H LEU 35 H LEU 35 16.487 -3.880 5.060 268 HA LEU 35 HA LEU 35 14.528 -2.472 3.340 269 HB2 LEU 35 1HB LEU 35 16.476 -1.530 5.456 270 HB3 LEU 35 2HB LEU 35 15.328 -0.501 4.615 271 HG LEU 35 HG LEU 35 14.544 -2.866 6.353 272 HD11 LEU 35 1HD1 LEU 35 14.730 0.086 6.925 273 HD12 LEU 35 2HD1 LEU 35 15.644 -1.247 7.678 274 HD13 LEU 35 3HD1 LEU 35 13.896 -1.101 7.956 275 HD21 LEU 35 1HD2 LEU 35 12.305 -1.800 6.324 276 HD22 LEU 35 2HD2 LEU 35 12.817 -2.306 4.708 277 HD23 LEU 35 3HD2 LEU 35 12.904 -0.591 5.167 278 H GLU 36 H GLU 36 18.074 -2.671 3.982 279 HA GLU 36 HA GLU 36 18.456 -2.316 1.102 280 HB2 GLU 36 1HB GLU 36 19.721 -0.389 1.053 281 HB3 GLU 36 2HB GLU 36 18.378 0.023 2.099 282 HG2 GLU 36 1HG GLU 36 19.846 -0.361 4.015 283 HG3 GLU 36 2HG GLU 36 21.179 -0.512 2.868 284 H ARG 37 H ARG 37 20.969 -2.381 0.656 285 HA ARG 37 HA ARG 37 22.186 -4.290 2.614 286 HB2 ARG 37 1HB ARG 37 22.343 -4.401 -0.412 287 HB3 ARG 37 2HB ARG 37 23.136 -5.504 0.715 288 HG2 ARG 37 1HG ARG 37 20.773 -6.154 1.503 289 HG3 ARG 37 2HG ARG 37 20.190 -5.282 0.070 290 HD2 ARG 37 1HD ARG 37 22.000 -7.695 0.187 291 HD3 ARG 37 2HD ARG 37 20.418 -7.570 -0.594 292 HE ARG 37 HE ARG 37 22.097 -5.645 -1.790 293 HH11 ARG 37 1HH1 ARG 37 22.076 -9.163 -1.545 294 HH12 ARG 37 2HH1 ARG 37 22.962 -9.359 -3.035 295 HH21 ARG 37 1HH2 ARG 37 23.221 -5.965 -3.660 296 HH22 ARG 37 2HH2 ARG 37 23.591 -7.574 -4.216 297 H ASP 38 H ASP 38 24.437 -4.123 2.738 298 HA ASP 38 HA ASP 38 26.421 -3.062 2.792 299 HB2 ASP 38 1HB ASP 38 25.752 -2.162 -0.017 300 HB3 ASP 38 2HB ASP 38 27.363 -2.378 0.690 301 H THR 39 H THR 39 24.197 -1.930 3.869 302 HA THR 39 HA THR 39 23.694 0.803 3.308 303 HB THR 39 HB THR 39 22.147 -0.553 4.611 304 HG1 THR 39 HG1 THR 39 21.928 1.536 5.177 305 HG21 THR 39 1HG2 THR 39 23.565 -2.070 5.710 306 HG22 THR 39 2HG2 THR 39 22.620 -1.178 6.903 307 HG23 THR 39 3HG2 THR 39 24.329 -0.762 6.653 308 H GLN 40 H GLN 40 24.407 2.678 4.242 309 HA GLN 40 HA GLN 40 25.914 4.164 5.026 310 HB2 GLN 40 1HB GLN 40 26.713 2.216 7.171 311 HB3 GLN 40 2HB GLN 40 26.656 3.973 7.235 312 HG2 GLN 40 1HG GLN 40 24.087 3.631 6.860 313 HG3 GLN 40 2HG GLN 40 24.408 1.977 7.389 314 HE21 GLN 40 1HE2 GLN 40 24.480 2.799 10.766 315 HE22 GLN 40 2HE2 GLN 40 24.383 1.581 9.515 316 H GLY 41 H GLY 41 26.920 1.773 3.238 317 HA2 GLY 41 1HA GLY 41 28.948 1.561 2.108 318 HA3 GLY 41 2HA GLY 41 29.714 2.671 3.263 319 H LEU 42 H LEU 42 27.842 0.195 4.751 320 HA LEU 42 HA LEU 42 30.322 -1.100 5.680 321 HB2 LEU 42 1HB LEU 42 27.424 -1.467 6.468 322 HB3 LEU 42 2HB LEU 42 28.810 -2.151 7.296 323 HG LEU 42 HG LEU 42 28.331 0.830 7.065 324 HD11 LEU 42 1HD1 LEU 42 27.437 0.662 9.351 325 HD12 LEU 42 2HD1 LEU 42 27.530 -1.115 9.249 326 HD13 LEU 42 3HD1 LEU 42 26.440 -0.207 8.165 327 HD21 LEU 42 1HD2 LEU 42 30.640 0.125 7.633 328 HD22 LEU 42 2HD2 LEU 42 30.001 -0.871 8.964 329 HD23 LEU 42 3HD2 LEU 42 29.839 0.896 9.020 330 H ASP 43 H ASP 43 30.955 -2.294 3.898 331 HA ASP 43 HA ASP 43 29.246 -3.755 2.188 332 HB2 ASP 43 1HB ASP 43 32.149 -4.101 2.976 333 HB3 ASP 43 2HB ASP 43 31.357 -5.217 1.850 334 H GLY 44 H GLY 44 28.126 -5.577 2.335 335 HA2 GLY 44 1HA GLY 44 27.703 -7.777 3.025 336 HA3 GLY 44 2HA GLY 44 28.999 -7.667 4.221 337 H TRP 45 H TRP 45 27.510 -4.946 5.053 338 HA TRP 45 HA TRP 45 25.779 -6.311 7.011 339 HB2 TRP 45 1HB TRP 45 26.879 -3.535 6.613 340 HB3 TRP 45 2HB TRP 45 25.668 -3.859 7.821 341 HD1 TRP 45 HD1 TRP 45 29.360 -4.032 7.271 342 HE1 TRP 45 HE1 TRP 45 30.573 -5.065 9.251 343 HE3 TRP 45 HE3 TRP 45 25.252 -5.864 9.652 344 HZ2 TRP 45 HZ2 TRP 45 29.815 -6.654 11.542 345 HZ3 TRP 45 HZ3 TRP 45 25.544 -7.117 11.772 346 HH2 TRP 45 HH2 TRP 45 27.793 -7.531 12.690 347 H TRP 46 H TRP 46 23.608 -6.343 6.824 348 HA TRP 46 HA TRP 46 22.420 -4.673 4.636 349 HB2 TRP 46 1HB TRP 46 21.587 -7.387 5.722 350 HB3 TRP 46 2HB TRP 46 20.699 -6.467 4.501 351 HD1 TRP 46 HD1 TRP 46 24.096 -5.861 3.452 352 HE1 TRP 46 HE1 TRP 46 24.975 -7.455 1.697 353 HE3 TRP 46 HE3 TRP 46 20.572 -9.528 4.049 354 HZ2 TRP 46 HZ2 TRP 46 24.239 -10.026 0.662 355 HZ3 TRP 46 HZ3 TRP 46 20.757 -11.588 2.658 356 HH2 TRP 46 HH2 TRP 46 22.539 -11.807 0.953 357 H LEU 47 H LEU 47 20.953 -3.208 5.212 358 HA LEU 47 HA LEU 47 20.248 -2.880 8.028 359 HB2 LEU 47 1HB LEU 47 20.559 -0.963 6.474 360 HB3 LEU 47 2HB LEU 47 19.227 -1.552 5.494 361 HG LEU 47 HG LEU 47 17.663 -1.085 7.300 362 HD11 LEU 47 1HD1 LEU 47 18.420 0.240 9.271 363 HD12 LEU 47 2HD1 LEU 47 20.099 -0.121 8.809 364 HD13 LEU 47 3HD1 LEU 47 18.987 -1.436 9.259 365 HD21 LEU 47 1HD2 LEU 47 18.185 0.655 5.640 366 HD22 LEU 47 2HD2 LEU 47 19.498 1.257 6.679 367 HD23 LEU 47 3HD2 LEU 47 17.803 1.369 7.218 368 H CYS 48 H CYS 48 18.628 -3.932 9.004 369 HA CYS 48 HA CYS 48 16.281 -4.681 7.331 370 HB2 CYS 48 1HB CYS 48 17.473 -6.520 9.437 371 HB3 CYS 48 2HB CYS 48 16.172 -6.870 8.303 372 HG CYS 48 HG CYS 48 19.375 -6.316 7.680 373 H SER 49 H SER 49 14.455 -5.398 8.769 374 HA SER 49 HA SER 49 14.474 -3.888 11.342 375 HB2 SER 49 1HB SER 49 12.794 -2.581 10.668 376 HB3 SER 49 2HB SER 49 13.098 -3.142 9.033 377 HG SER 49 HG SER 49 10.938 -3.471 9.567 378 H LEU 50 H LEU 50 13.808 -5.031 13.014 379 HA LEU 50 HA LEU 50 12.205 -7.508 12.594 380 HB2 LEU 50 1HB LEU 50 14.627 -8.148 12.522 381 HB3 LEU 50 2HB LEU 50 14.855 -7.364 14.084 382 HG LEU 50 HG LEU 50 12.752 -9.166 14.503 383 HD11 LEU 50 1HD1 LEU 50 13.335 -10.180 12.341 384 HD12 LEU 50 2HD1 LEU 50 13.520 -11.274 13.734 385 HD13 LEU 50 3HD1 LEU 50 14.958 -10.529 12.996 386 HD21 LEU 50 1HD2 LEU 50 14.479 -8.596 16.115 387 HD22 LEU 50 2HD2 LEU 50 15.716 -9.387 15.111 388 HD23 LEU 50 3HD2 LEU 50 14.437 -10.357 15.877 389 H HIS 51 H HIS 51 10.702 -7.632 14.159 390 HA HIS 51 HA HIS 51 9.436 -7.085 15.988 391 HB2 HIS 51 1HB HIS 51 12.137 -6.785 17.351 392 HB3 HIS 51 2HB HIS 51 10.579 -6.986 18.159 393 HD1 HIS 51 HD1 HIS 51 12.812 -9.050 18.686 394 HD2 HIS 51 HD2 HIS 51 9.937 -9.462 15.701 395 HE1 HIS 51 HE1 HIS 51 12.642 -11.520 18.159 396 H GLY 52 H GLY 52 10.240 -4.855 14.197 397 HA2 GLY 52 1HA GLY 52 9.605 -2.621 14.200 398 HA3 GLY 52 2HA GLY 52 9.333 -2.709 15.941 399 H ARG 53 H ARG 53 12.474 -3.848 15.212 400 HA ARG 53 HA ARG 53 13.605 -1.142 15.840 401 HB2 ARG 53 1HB ARG 53 13.810 -3.360 17.388 402 HB3 ARG 53 2HB ARG 53 15.145 -3.687 16.295 403 HG2 ARG 53 1HG ARG 53 14.920 -1.033 17.764 404 HG3 ARG 53 2HG ARG 53 15.601 -2.463 18.543 405 HD2 ARG 53 1HD ARG 53 17.256 -2.625 16.625 406 HD3 ARG 53 2HD ARG 53 16.673 -1.038 16.092 407 HE ARG 53 HE ARG 53 17.489 -1.118 18.887 408 HH11 ARG 53 1HH1 ARG 53 18.700 -0.544 15.592 409 HH12 ARG 53 2HH1 ARG 53 20.106 0.307 16.197 410 HH21 ARG 53 1HH2 ARG 53 19.292 0.007 19.520 411 HH22 ARG 53 2HH2 ARG 53 20.443 0.581 18.337 412 H GLN 54 H GLN 54 15.124 -0.424 14.420 413 HA GLN 54 HA GLN 54 15.592 -2.099 11.999 414 HB2 GLN 54 1HB GLN 54 15.023 0.700 12.496 415 HB3 GLN 54 2HB GLN 54 16.557 0.528 11.630 416 HG2 GLN 54 1HG GLN 54 15.435 -0.804 9.935 417 HG3 GLN 54 2HG GLN 54 13.909 -0.667 10.822 418 HE21 GLN 54 1HE2 GLN 54 15.394 2.715 8.988 419 HE22 GLN 54 2HE2 GLN 54 16.498 1.536 9.651 420 H GLY 55 H GLY 55 17.712 -2.537 11.322 421 HA2 GLY 55 1HA GLY 55 19.990 -1.192 12.367 422 HA3 GLY 55 2HA GLY 55 19.697 -2.635 13.346 423 H ILE 56 H ILE 56 22.051 -2.523 12.080 424 HA ILE 56 HA ILE 56 21.839 -3.762 9.425 425 HB ILE 56 HB ILE 56 24.303 -3.750 9.413 426 HG12 ILE 56 1HG1 ILE 56 24.034 -2.780 12.303 427 HG13 ILE 56 2HG1 ILE 56 24.626 -4.363 11.808 428 HG21 ILE 56 1HG2 ILE 56 22.880 -1.637 9.012 429 HG22 ILE 56 2HG2 ILE 56 23.362 -1.108 10.637 430 HG23 ILE 56 3HG2 ILE 56 24.594 -1.378 9.381 431 HD11 ILE 56 1HD1 ILE 56 25.943 -1.667 11.407 432 HD12 ILE 56 2HD1 ILE 56 26.519 -3.048 12.360 433 HD13 ILE 56 3HD1 ILE 56 26.491 -3.147 10.586 434 H VAL 57 H VAL 57 22.747 -5.771 8.883 435 HA VAL 57 HA VAL 57 22.917 -7.797 11.068 436 HB VAL 57 HB VAL 57 21.235 -7.983 8.556 437 HG11 VAL 57 1HG1 VAL 57 21.779 -10.033 10.629 438 HG12 VAL 57 2HG1 VAL 57 20.457 -10.146 9.456 439 HG13 VAL 57 3HG1 VAL 57 22.139 -10.114 8.893 440 HG21 VAL 57 1HG2 VAL 57 20.078 -6.633 10.179 441 HG22 VAL 57 2HG2 VAL 57 19.312 -8.234 10.155 442 HG23 VAL 57 3HG2 VAL 57 20.448 -7.806 11.459 443 HA PRO 58 HA PRO 58 26.201 -8.918 8.238 444 HB2 PRO 58 1HB PRO 58 26.866 -11.398 9.181 445 HB3 PRO 58 2HB PRO 58 27.269 -9.895 10.069 446 HG2 PRO 58 1HG PRO 58 24.964 -11.775 10.501 447 HG3 PRO 58 2HG PRO 58 26.092 -11.083 11.701 448 HD2 PRO 58 1HD PRO 58 23.621 -10.042 11.210 449 HD3 PRO 58 2HD PRO 58 25.009 -9.030 11.691 450 H GLY 59 H GLY 59 25.473 -9.273 6.183 451 HA2 GLY 59 1HA GLY 59 23.323 -10.954 5.469 452 HA3 GLY 59 2HA GLY 59 24.592 -10.379 4.377 453 H ASN 60 H ASN 60 26.641 -11.746 6.133 454 HA ASN 60 HA ASN 60 26.817 -14.207 4.702 455 HB2 ASN 60 1HB ASN 60 28.634 -12.750 5.879 456 HB3 ASN 60 2HB ASN 60 28.219 -13.675 7.332 457 HD21 ASN 60 1HD2 ASN 60 30.857 -15.717 6.170 458 HD22 ASN 60 2HD2 ASN 60 30.412 -14.436 7.281 459 H ARG 61 H ARG 61 24.907 -13.416 7.452 460 HA ARG 61 HA ARG 61 24.611 -16.334 8.110 461 HB2 ARG 61 1HB ARG 61 24.161 -13.877 9.848 462 HB3 ARG 61 2HB ARG 61 23.775 -15.534 10.324 463 HG2 ARG 61 1HG ARG 61 26.146 -16.158 10.136 464 HG3 ARG 61 2HG ARG 61 26.554 -14.492 9.674 465 HD2 ARG 61 1HD ARG 61 25.745 -13.663 11.822 466 HD3 ARG 61 2HD ARG 61 25.215 -15.294 12.278 467 HE ARG 61 HE ARG 61 27.975 -15.422 11.617 468 HH11 ARG 61 1HH1 ARG 61 25.962 -13.988 14.157 469 HH12 ARG 61 2HH1 ARG 61 27.235 -14.112 15.341 470 HH21 ARG 61 1HH2 ARG 61 29.514 -15.536 13.154 471 HH22 ARG 61 2HH2 ARG 61 29.222 -14.964 14.785 472 H LEU 62 H LEU 62 23.263 -14.195 6.169 473 HA LEU 62 HA LEU 62 20.469 -14.813 7.006 474 HB2 LEU 62 1HB LEU 62 21.553 -12.382 7.188 475 HB3 LEU 62 2HB LEU 62 21.154 -12.337 5.477 476 HG LEU 62 HG LEU 62 18.807 -12.825 6.061 477 HD11 LEU 62 1HD1 LEU 62 19.060 -13.868 8.172 478 HD12 LEU 62 2HD1 LEU 62 17.987 -12.479 8.270 479 HD13 LEU 62 3HD1 LEU 62 19.656 -12.357 8.881 480 HD21 LEU 62 1HD2 LEU 62 19.480 -10.579 5.586 481 HD22 LEU 62 2HD2 LEU 62 20.077 -10.360 7.246 482 HD23 LEU 62 3HD2 LEU 62 18.338 -10.539 6.946 483 H LYS 63 H LYS 63 18.979 -15.276 5.463 484 HA LYS 63 HA LYS 63 20.020 -15.399 2.657 485 HB2 LYS 63 1HB LYS 63 19.724 -17.681 3.562 486 HB3 LYS 63 2HB LYS 63 18.037 -17.319 3.931 487 HG2 LYS 63 1HG LYS 63 17.580 -16.990 1.527 488 HG3 LYS 63 2HG LYS 63 19.285 -17.228 1.152 489 HD2 LYS 63 1HD LYS 63 18.195 -19.228 0.582 490 HD3 LYS 63 2HD LYS 63 19.054 -19.577 2.094 491 HE2 LYS 63 1HE LYS 63 17.078 -19.624 3.338 492 HE3 LYS 63 2HE LYS 63 16.210 -18.634 2.149 493 HZ1 LYS 63 1HZ LYS 63 16.503 -20.604 0.596 494 HZ2 LYS 63 2HZ LYS 63 15.375 -20.742 1.783 495 HZ3 LYS 63 3HZ LYS 63 16.844 -21.499 1.940 496 H ILE 64 H ILE 64 19.064 -14.131 1.331 497 HA ILE 64 HA ILE 64 16.599 -12.777 1.931 498 HB ILE 64 HB ILE 64 18.049 -13.163 -0.729 499 HG12 ILE 64 1HG1 ILE 64 19.558 -12.165 0.874 500 HG13 ILE 64 2HG1 ILE 64 19.042 -10.951 -0.283 501 HG21 ILE 64 1HG2 ILE 64 15.896 -11.258 0.177 502 HG22 ILE 64 2HG2 ILE 64 16.916 -10.939 -1.242 503 HG23 ILE 64 3HG2 ILE 64 15.863 -12.373 -1.201 504 HD11 ILE 64 1HD1 ILE 64 18.280 -11.203 2.648 505 HD12 ILE 64 2HD1 ILE 64 19.016 -9.831 1.798 506 HD13 ILE 64 3HD1 ILE 64 17.310 -10.211 1.526 507 H LEU 65 H LEU 65 14.579 -13.504 1.705 508 HA LEU 65 HA LEU 65 14.203 -16.132 0.395 509 HB2 LEU 65 1HB LEU 65 12.240 -14.412 1.948 510 HB3 LEU 65 2HB LEU 65 12.003 -16.085 1.440 511 HG LEU 65 HG LEU 65 14.012 -15.077 3.480 512 HD11 LEU 65 1HD1 LEU 65 11.510 -16.769 3.752 513 HD12 LEU 65 2HD1 LEU 65 11.680 -15.057 4.221 514 HD13 LEU 65 3HD1 LEU 65 12.616 -16.300 5.061 515 HD21 LEU 65 1HD2 LEU 65 14.417 -17.502 3.939 516 HD22 LEU 65 2HD2 LEU 65 15.013 -16.974 2.359 517 HD23 LEU 65 3HD2 LEU 65 13.491 -17.895 2.480 518 H VAL 66 H VAL 66 14.595 -15.296 -1.752 519 HA VAL 66 HA VAL 66 12.812 -13.339 -2.911 520 HB VAL 66 HB VAL 66 14.356 -15.586 -4.316 521 HG11 VAL 66 1HG1 VAL 66 12.622 -14.588 -5.759 522 HG12 VAL 66 2HG1 VAL 66 13.205 -12.955 -5.368 523 HG13 VAL 66 3HG1 VAL 66 14.225 -14.069 -6.304 524 HG21 VAL 66 1HG2 VAL 66 16.086 -13.833 -4.756 525 HG22 VAL 66 2HG2 VAL 66 15.201 -12.721 -3.685 526 HG23 VAL 66 3HG2 VAL 66 15.923 -14.213 -3.032 527 H GLY 67 H GLY 67 10.736 -13.628 -3.581 528 HA2 GLY 67 1HA GLY 67 9.363 -16.085 -2.962 529 HA3 GLY 67 2HA GLY 67 8.675 -14.640 -3.711 530 H MET 68 H MET 68 11.309 -16.687 -4.824 531 HA MET 68 HA MET 68 9.720 -17.903 -6.971 532 HB2 MET 68 1HB MET 68 10.379 -15.658 -7.869 533 HB3 MET 68 2HB MET 68 12.073 -16.062 -7.581 534 HG2 MET 68 1HG MET 68 11.932 -17.897 -9.196 535 HG3 MET 68 2HG MET 68 10.209 -17.548 -9.456 536 HE1 MET 68 1HE MET 68 12.344 -17.665 -11.865 537 HE2 MET 68 2HE MET 68 10.613 -17.313 -12.087 538 HE3 MET 68 3HE MET 68 11.840 -16.241 -12.803 539 H TYR 69 H TYR 69 12.844 -17.288 -5.351 540 HA TYR 69 HA TYR 69 13.782 -19.951 -6.283 541 HB2 TYR 69 1HB TYR 69 15.383 -17.543 -5.382 542 HB3 TYR 69 2HB TYR 69 16.038 -19.064 -5.997 543 HD1 TYR 69 HD1 TYR 69 14.737 -19.761 -8.390 544 HD2 TYR 69 HD2 TYR 69 15.512 -15.789 -6.924 545 HE1 TYR 69 HE1 TYR 69 14.644 -18.876 -10.720 546 HE2 TYR 69 HE2 TYR 69 15.407 -14.914 -9.259 547 HH TYR 69 HH TYR 69 15.105 -15.421 -11.469 548 H ASP 70 H ASP 70 12.596 -18.679 -3.365 549 HA ASP 70 HA ASP 70 14.592 -19.621 -1.546 550 HB2 ASP 70 1HB ASP 70 12.797 -18.277 -0.669 551 HB3 ASP 70 2HB ASP 70 11.580 -19.425 -1.254 552 H LYS 71 H LYS 71 11.732 -21.264 -2.894 553 HA LYS 71 HA LYS 71 13.054 -23.834 -2.904 554 HB2 LYS 71 1HB LYS 71 12.500 -23.589 -0.473 555 HB3 LYS 71 2HB LYS 71 10.792 -23.476 -0.891 556 HG2 LYS 71 1HG LYS 71 10.706 -25.737 -1.590 557 HG3 LYS 71 2HG LYS 71 12.470 -25.842 -1.746 558 HD2 LYS 71 1HD LYS 71 11.816 -27.039 0.243 559 HD3 LYS 71 2HD LYS 71 12.682 -25.568 0.720 560 HE2 LYS 71 1HE LYS 71 10.503 -24.438 1.152 561 HE3 LYS 71 2HE LYS 71 9.656 -25.941 0.717 562 HZ1 LYS 71 1HZ LYS 71 9.955 -25.754 3.105 563 HZ2 LYS 71 2HZ LYS 71 11.590 -25.627 2.941 564 HZ3 LYS 71 3HZ LYS 71 10.830 -27.036 2.543 565 H LYS 72 H LYS 72 9.732 -22.493 -2.534 566 HA LYS 72 HA LYS 72 9.016 -23.375 -5.266 567 HB2 LYS 72 1HB LYS 72 7.613 -24.391 -2.740 568 HB3 LYS 72 2HB LYS 72 6.884 -24.416 -4.345 569 HG2 LYS 72 1HG LYS 72 8.939 -25.817 -5.055 570 HG3 LYS 72 2HG LYS 72 9.175 -26.075 -3.316 571 HD2 LYS 72 1HD LYS 72 6.626 -26.688 -4.876 572 HD3 LYS 72 2HD LYS 72 7.843 -27.885 -4.402 573 HE2 LYS 72 1HE LYS 72 7.409 -27.350 -2.003 574 HE3 LYS 72 2HE LYS 72 6.147 -26.201 -2.502 575 HZ1 LYS 72 1HZ LYS 72 6.133 -29.114 -3.063 576 HZ2 LYS 72 2HZ LYS 72 4.971 -28.046 -3.547 577 HZ3 LYS 72 3HZ LYS 72 5.198 -28.346 -1.942 578 HA PRO 73 HA PRO 73 6.620 -19.691 -4.448 579 HB2 PRO 73 1HB PRO 73 4.552 -19.830 -6.199 580 HB3 PRO 73 2HB PRO 73 6.239 -19.595 -6.765 581 HG2 PRO 73 1HG PRO 73 4.646 -22.148 -6.577 582 HG3 PRO 73 2HG PRO 73 5.549 -21.487 -7.978 583 HD2 PRO 73 1HD PRO 73 6.627 -23.354 -6.331 584 HD3 PRO 73 2HD PRO 73 7.628 -22.045 -7.054 585 H ALA 74 H ALA 74 5.480 -22.847 -3.853 586 HA ALA 74 HA ALA 74 3.066 -21.834 -2.433 587 HB1 ALA 74 1HB ALA 74 3.652 -24.624 -3.525 588 HB2 ALA 74 2HB ALA 74 2.187 -24.139 -2.639 589 HB3 ALA 74 3HB ALA 74 2.533 -23.433 -4.233 590 H GLY 75 H GLY 75 3.556 -21.499 -0.380 591 HA2 GLY 75 1HA GLY 75 3.709 -22.873 1.733 592 HA3 GLY 75 2HA GLY 75 5.209 -23.537 1.059 593 H SER 76 H SER 76 5.157 -22.217 3.549 594 HA SER 76 HA SER 76 6.537 -19.636 2.911 595 HB2 SER 76 1HB SER 76 5.946 -19.031 5.280 596 HB3 SER 76 2HB SER 76 4.545 -19.240 4.203 597 HG SER 76 HG SER 76 4.257 -20.313 6.208 598 H GLY 77 H GLY 77 6.581 -22.466 5.126 599 HA2 GLY 77 1HA GLY 77 8.488 -23.635 5.839 600 HA3 GLY 77 2HA GLY 77 9.512 -22.428 5.045 601 H GLY 78 H GLY 78 7.842 -23.330 7.999 602 HA2 GLY 78 1HA GLY 78 8.506 -20.847 9.373 603 HA3 GLY 78 2HA GLY 78 7.805 -22.309 10.081 604 H SER 79 H SER 79 9.291 -21.726 11.843 605 HA SER 79 HA SER 79 12.137 -22.448 11.413 606 HB2 SER 79 1HB SER 79 12.291 -21.797 13.835 607 HB3 SER 79 2HB SER 79 11.670 -20.493 12.800 608 HG SER 79 HG SER 79 10.418 -20.767 14.702 609 H GLY 80 H GLY 80 12.880 -23.863 13.530 610 HA2 GLY 80 1HA GLY 80 10.945 -25.837 14.382 611 HA3 GLY 80 2HA GLY 80 12.093 -26.483 13.182 612 H SER 81 H SER 81 12.235 -27.605 15.665 613 HA SER 81 HA SER 81 14.117 -26.148 17.365 614 HB2 SER 81 1HB SER 81 12.431 -27.755 18.280 615 HB3 SER 81 2HB SER 81 13.264 -29.076 17.434 616 HG SER 81 HG SER 81 15.027 -28.802 18.750 617 H GLY 82 H GLY 82 16.309 -26.658 17.672 618 HA2 GLY 82 1HA GLY 82 17.583 -28.121 15.420 619 HA3 GLY 82 2HA GLY 82 18.404 -27.091 16.620 620 H LEU 83 H LEU 83 19.110 -29.844 15.930 621 HA LEU 83 HA LEU 83 18.641 -31.099 18.609 622 HB2 LEU 83 1HB LEU 83 18.919 -32.467 15.912 623 HB3 LEU 83 2HB LEU 83 18.819 -33.293 17.463 624 HG LEU 83 HG LEU 83 16.599 -31.579 16.290 625 HD11 LEU 83 1HD1 LEU 83 15.497 -33.726 15.794 626 HD12 LEU 83 2HD1 LEU 83 16.931 -34.606 16.374 627 HD13 LEU 83 3HD1 LEU 83 17.036 -33.578 14.924 628 HD21 LEU 83 1HD2 LEU 83 16.661 -33.479 18.676 629 HD22 LEU 83 2HD2 LEU 83 15.197 -32.716 18.010 630 HD23 LEU 83 3HD2 LEU 83 16.465 -31.710 18.734 631 H THR 84 H THR 84 20.871 -29.744 16.500 632 HA THR 84 HA THR 84 23.151 -31.010 17.906 633 HB THR 84 HB THR 84 24.393 -31.104 15.708 634 HG1 THR 84 HG1 THR 84 23.248 -29.730 14.426 635 HG21 THR 84 1HG2 THR 84 23.236 -33.159 16.593 636 HG22 THR 84 2HG2 THR 84 23.404 -33.125 14.823 637 HG23 THR 84 3HG2 THR 84 21.838 -32.750 15.571 638 H ASP 85 H ASP 85 25.083 -29.610 17.670 639 HA ASP 85 HA ASP 85 24.385 -26.763 17.575 640 HB2 ASP 85 1HB ASP 85 26.951 -28.318 18.047 641 HB3 ASP 85 2HB ASP 85 26.914 -26.550 17.934 642 H GLU 86 H GLU 86 25.370 -25.269 16.095 643 HA GLU 86 HA GLU 86 26.689 -26.386 13.700 644 HB2 GLU 86 1HB GLU 86 24.160 -26.379 13.354 645 HB3 GLU 86 2HB GLU 86 24.221 -24.618 13.486 646 HG2 GLU 86 1HG GLU 86 25.777 -24.568 11.539 647 HG3 GLU 86 2HG GLU 86 25.623 -26.329 11.402 648 H LEU 87 H LEU 87 28.448 -25.094 13.445 649 HA LEU 87 HA LEU 87 28.601 -22.637 14.999 650 HB2 LEU 87 1HB LEU 87 30.563 -23.942 13.088 651 HB3 LEU 87 2HB LEU 87 30.920 -22.529 14.080 652 HG LEU 87 HG LEU 87 30.179 -25.266 15.183 653 HD11 LEU 87 1HD1 LEU 87 32.891 -23.898 14.951 654 HD12 LEU 87 2HD1 LEU 87 32.338 -25.294 13.993 655 HD13 LEU 87 3HD1 LEU 87 32.567 -25.457 15.746 656 HD21 LEU 87 1HD2 LEU 87 31.068 -24.337 17.324 657 HD22 LEU 87 2HD2 LEU 87 29.619 -23.487 16.766 658 HD23 LEU 87 3HD2 LEU 87 31.223 -22.744 16.549 659 H ALA 88 H ALA 88 28.409 -20.608 14.368 660 HA ALA 88 HA ALA 88 27.395 -20.115 11.698 661 HB1 ALA 88 1HB ALA 88 26.952 -17.867 12.535 662 HB2 ALA 88 2HB ALA 88 26.452 -19.056 13.756 663 HB3 ALA 88 3HB ALA 88 27.977 -18.160 13.962 664 HA PRO 89 HA PRO 89 31.250 -18.690 10.027 665 HB2 PRO 89 1HB PRO 89 30.418 -17.168 7.935 666 HB3 PRO 89 2HB PRO 89 30.218 -18.943 7.943 667 HG2 PRO 89 1HG PRO 89 28.237 -16.806 8.686 668 HG3 PRO 89 2HG PRO 89 28.037 -18.175 7.546 669 HD2 PRO 89 1HD PRO 89 27.164 -18.307 10.100 670 HD3 PRO 89 2HD PRO 89 27.865 -19.740 9.273 671 HA PRO 90 HA PRO 90 31.880 -14.807 11.882 672 HB2 PRO 90 1HB PRO 90 33.799 -13.519 10.432 673 HB3 PRO 90 2HB PRO 90 34.140 -15.014 11.362 674 HG2 PRO 90 1HG PRO 90 33.502 -14.718 8.436 675 HG3 PRO 90 2HG PRO 90 34.864 -15.593 9.210 676 HD2 PRO 90 1HD PRO 90 32.619 -16.870 8.412 677 HD3 PRO 90 2HD PRO 90 33.472 -17.357 9.914 678 H LYS 91 H LYS 91 31.445 -12.555 11.884 679 HA LYS 91 HA LYS 91 29.658 -11.644 9.710 680 HB2 LYS 91 1HB LYS 91 29.286 -9.691 11.236 681 HB3 LYS 91 2HB LYS 91 28.850 -11.239 11.963 682 HG2 LYS 91 1HG LYS 91 30.885 -11.245 13.311 683 HG3 LYS 91 2HG LYS 91 31.472 -9.789 12.492 684 HD2 LYS 91 1HD LYS 91 30.609 -9.144 14.646 685 HD3 LYS 91 2HD LYS 91 29.524 -8.517 13.405 686 HE2 LYS 91 1HE LYS 91 27.910 -10.335 13.850 687 HE3 LYS 91 2HE LYS 91 29.038 -11.055 15.023 688 HZ1 LYS 91 1HZ LYS 91 27.709 -8.415 15.270 689 HZ2 LYS 91 2HZ LYS 91 28.861 -8.993 16.320 690 HZ3 LYS 91 3HZ LYS 91 27.400 -9.754 16.178 691 HA PRO 92 HA PRO 92 33.023 -9.328 7.985 692 HB2 PRO 92 1HB PRO 92 31.773 -7.124 6.908 693 HB3 PRO 92 2HB PRO 92 31.653 -8.762 6.191 694 HG2 PRO 92 1HG PRO 92 29.741 -7.336 7.966 695 HG3 PRO 92 2HG PRO 92 29.426 -8.250 6.475 696 HD2 PRO 92 1HD PRO 92 29.041 -9.264 8.962 697 HD3 PRO 92 2HD PRO 92 29.551 -10.286 7.576 698 HA PRO 93 HA PRO 93 34.094 -6.567 11.176 699 HB2 PRO 93 1HB PRO 93 35.887 -4.811 10.131 700 HB3 PRO 93 2HB PRO 93 36.238 -6.566 10.242 701 HG2 PRO 93 1HG PRO 93 35.190 -4.998 7.907 702 HG3 PRO 93 2HG PRO 93 36.594 -6.110 7.979 703 HD2 PRO 93 1HD PRO 93 34.168 -6.914 7.101 704 HD3 PRO 93 2HD PRO 93 35.222 -8.015 8.053 705 H LEU 94 H LEU 94 34.205 -4.289 11.955 706 HA LEU 94 HA LEU 94 32.371 -2.457 10.525 707 HB2 LEU 94 1HB LEU 94 32.179 -3.532 13.342 708 HB3 LEU 94 2HB LEU 94 31.609 -1.908 12.997 709 HG LEU 94 HG LEU 94 30.570 -4.444 11.716 710 HD11 LEU 94 1HD1 LEU 94 29.951 -4.074 14.085 711 HD12 LEU 94 2HD1 LEU 94 28.570 -3.996 12.968 712 HD13 LEU 94 3HD1 LEU 94 29.270 -2.493 13.609 713 HD21 LEU 94 1HD2 LEU 94 29.655 -1.558 11.404 714 HD22 LEU 94 2HD2 LEU 94 28.784 -2.983 10.807 715 HD23 LEU 94 3HD2 LEU 94 30.368 -2.595 10.141 716 HA PRO 95 HA PRO 95 35.329 0.582 11.938 717 HB2 PRO 95 1HB PRO 95 33.814 2.838 12.062 718 HB3 PRO 95 2HB PRO 95 34.203 2.060 10.497 719 HG2 PRO 95 1HG PRO 95 31.715 1.858 12.156 720 HG3 PRO 95 2HG PRO 95 31.881 2.145 10.397 721 HD2 PRO 95 1HD PRO 95 31.359 -0.310 11.514 722 HD3 PRO 95 2HD PRO 95 32.215 -0.125 9.955 723 H GLU 96 H GLU 96 35.394 2.349 13.792 724 HA GLU 96 HA GLU 96 35.471 2.787 15.965 725 HB2 GLU 96 1HB GLU 96 32.927 2.968 15.341 726 HB3 GLU 96 2HB GLU 96 32.782 1.592 16.430 727 HG2 GLU 96 1HG GLU 96 33.879 2.948 18.202 728 HG3 GLU 96 2HG GLU 96 33.940 4.315 17.088 729 H GLY 97 H GLY 97 35.720 -0.168 14.957 730 HA2 GLY 97 1HA GLY 97 35.913 -1.477 17.605 731 HA3 GLY 97 2HA GLY 97 36.150 -2.251 16.028 732 H GLU 98 H GLU 98 37.752 0.463 15.656 733 HA GLU 98 HA GLU 98 40.021 0.649 15.138 734 HB2 GLU 98 1HB GLU 98 39.888 0.880 18.155 735 HB3 GLU 98 2HB GLU 98 41.156 1.540 17.105 736 HG2 GLU 98 1HG GLU 98 39.333 2.831 15.892 737 HG3 GLU 98 2HG GLU 98 38.225 2.336 17.181 738 H VAL 99 H VAL 99 40.014 -1.889 14.656 739 HA VAL 99 HA VAL 99 41.588 -3.460 16.482 740 HB VAL 99 HB VAL 99 39.748 -4.283 15.013 741 HG11 VAL 99 1HG1 VAL 99 40.313 -3.086 12.883 742 HG12 VAL 99 2HG1 VAL 99 41.746 -4.110 12.689 743 HG13 VAL 99 3HG1 VAL 99 40.127 -4.823 12.631 744 HG21 VAL 99 1HG2 VAL 99 42.373 -5.813 14.630 745 HG22 VAL 99 2HG2 VAL 99 41.327 -5.885 16.060 746 HG23 VAL 99 3HG2 VAL 99 40.738 -6.483 14.506 747 HXT VAL 99 H02 VAL 99 42.886 -1.539 16.253 Start of MODEL 17 1 H2 GLY 1 2H0 GLY 1 6.333 7.812 -7.079 2 H GLY 1 1H0 GLY 1 5.339 7.982 -5.791 3 HA2 GLY 1 1HA GLY 1 4.834 5.836 -6.618 4 HA3 GLY 1 2HA GLY 1 6.578 5.476 -6.812 5 H SER 2 H SER 2 6.585 7.092 -4.239 6 HA SER 2 HA SER 2 6.899 6.770 -1.982 7 HB2 SER 2 1HB SER 2 4.379 6.444 -2.258 8 HB3 SER 2 2HB SER 2 4.686 4.703 -2.116 9 HG SER 2 HG SER 2 5.629 5.098 -0.092 10 H MET 3 H MET 3 8.107 4.693 -3.984 11 HA MET 3 HA MET 3 8.276 2.278 -2.398 12 HB2 MET 3 1HB MET 3 8.240 2.715 -4.988 13 HB3 MET 3 2HB MET 3 9.988 2.842 -4.816 14 HG2 MET 3 1HG MET 3 10.119 0.573 -3.980 15 HG3 MET 3 2HG MET 3 8.346 0.476 -3.866 16 HE1 MET 3 1HE MET 3 8.648 -1.896 -6.902 17 HE2 MET 3 2HE MET 3 9.569 -1.882 -5.377 18 HE3 MET 3 3HE MET 3 7.821 -1.545 -5.370 19 H LYS 4 H LYS 4 9.237 3.671 -0.508 20 HA LYS 4 HA LYS 4 12.158 4.092 -0.750 21 HB2 LYS 4 1HB LYS 4 10.165 5.074 0.961 22 HB3 LYS 4 2HB LYS 4 11.070 3.957 1.989 23 HG2 LYS 4 1HG LYS 4 12.355 6.203 0.379 24 HG3 LYS 4 2HG LYS 4 11.849 6.350 2.074 25 HD2 LYS 4 1HD LYS 4 13.374 4.462 2.659 26 HD3 LYS 4 2HD LYS 4 13.951 4.436 0.984 27 HE2 LYS 4 1HE LYS 4 14.698 6.790 1.216 28 HE3 LYS 4 2HE LYS 4 14.146 6.789 2.903 29 HZ1 LYS 4 1HZ LYS 4 15.767 5.059 3.382 30 HZ2 LYS 4 2HZ LYS 4 16.533 6.358 2.718 31 HZ3 LYS 4 3HZ LYS 4 16.263 5.013 1.810 32 H TYR 5 H TYR 5 13.661 2.639 -0.218 33 HA TYR 5 HA TYR 5 14.728 0.771 0.325 34 HB2 TYR 5 1HB TYR 5 12.540 0.660 2.381 35 HB3 TYR 5 2HB TYR 5 13.817 -0.532 2.289 36 HD1 TYR 5 HD1 TYR 5 12.959 2.125 4.192 37 HD2 TYR 5 HD2 TYR 5 16.288 0.847 1.778 38 HE1 TYR 5 HE1 TYR 5 14.507 3.565 5.527 39 HE2 TYR 5 HE2 TYR 5 17.795 2.278 3.114 40 HH TYR 5 HH TYR 5 18.054 3.577 4.921 41 H LEU 6 H LEU 6 14.783 -1.572 0.504 42 HA LEU 6 HA LEU 6 13.513 -2.635 -1.862 43 HB2 LEU 6 1HB LEU 6 15.081 -4.057 0.328 44 HB3 LEU 6 2HB LEU 6 14.726 -4.683 -1.270 45 HG LEU 6 HG LEU 6 16.548 -2.341 -0.720 46 HD11 LEU 6 1HD1 LEU 6 17.432 -4.482 0.165 47 HD12 LEU 6 2HD1 LEU 6 18.369 -3.929 -1.239 48 HD13 LEU 6 3HD1 LEU 6 17.184 -5.245 -1.420 49 HD21 LEU 6 1HD2 LEU 6 17.262 -2.658 -3.059 50 HD22 LEU 6 2HD2 LEU 6 15.551 -2.209 -2.943 51 HD23 LEU 6 3HD2 LEU 6 15.998 -3.892 -3.272 52 H ASN 7 H ASN 7 13.156 -3.205 1.628 53 HA ASN 7 HA ASN 7 11.610 -4.297 2.880 54 HB2 ASN 7 1HB ASN 7 9.757 -3.505 0.617 55 HB3 ASN 7 2HB ASN 7 9.251 -4.012 2.238 56 HD21 ASN 7 1HD2 ASN 7 10.123 -0.206 1.540 57 HD22 ASN 7 2HD2 ASN 7 9.854 -1.409 0.311 58 H VAL 8 H VAL 8 13.104 -6.169 1.675 59 HA VAL 8 HA VAL 8 11.173 -8.200 0.647 60 HB VAL 8 HB VAL 8 12.825 -9.069 -0.683 61 HG11 VAL 8 1HG1 VAL 8 14.362 -6.528 -0.029 62 HG12 VAL 8 2HG1 VAL 8 14.426 -7.482 -1.530 63 HG13 VAL 8 3HG1 VAL 8 12.946 -6.595 -1.125 64 HG21 VAL 8 1HG2 VAL 8 15.272 -9.147 -0.014 65 HG22 VAL 8 2HG2 VAL 8 14.769 -8.546 1.570 66 HG23 VAL 8 3HG2 VAL 8 14.156 -10.101 0.977 67 H LEU 9 H LEU 9 11.447 -10.416 1.625 68 HA LEU 9 HA LEU 9 12.110 -10.107 4.514 69 HB2 LEU 9 1HB LEU 9 10.685 -12.334 3.031 70 HB3 LEU 9 2HB LEU 9 10.954 -12.274 4.766 71 HG LEU 9 HG LEU 9 9.225 -10.358 3.164 72 HD11 LEU 9 1HD1 LEU 9 7.368 -11.430 4.357 73 HD12 LEU 9 2HD1 LEU 9 8.508 -12.529 5.167 74 HD13 LEU 9 3HD1 LEU 9 8.283 -12.623 3.407 75 HD21 LEU 9 1HD2 LEU 9 9.795 -10.498 6.159 76 HD22 LEU 9 2HD2 LEU 9 8.484 -9.552 5.422 77 HD23 LEU 9 3HD2 LEU 9 10.169 -9.155 5.055 78 H ALA 10 H ALA 10 13.593 -11.405 5.581 79 HA ALA 10 HA ALA 10 15.114 -13.358 3.916 80 HB1 ALA 10 1HB ALA 10 16.346 -11.231 3.852 81 HB2 ALA 10 2HB ALA 10 16.359 -11.161 5.630 82 HB3 ALA 10 3HB ALA 10 17.239 -12.456 4.773 83 H LYS 11 H LYS 11 15.864 -15.140 5.043 84 HA LYS 11 HA LYS 11 14.923 -15.360 7.869 85 HB2 LYS 11 1HB LYS 11 14.021 -17.057 6.397 86 HB3 LYS 11 2HB LYS 11 15.625 -17.466 5.779 87 HG2 LYS 11 1HG LYS 11 16.281 -18.517 7.786 88 HG3 LYS 11 2HG LYS 11 15.002 -17.737 8.723 89 HD2 LYS 11 1HD LYS 11 14.377 -19.749 6.553 90 HD3 LYS 11 2HD LYS 11 14.733 -20.218 8.228 91 HE2 LYS 11 1HE LYS 11 12.940 -18.430 8.858 92 HE3 LYS 11 2HE LYS 11 12.419 -18.597 7.182 93 HZ1 LYS 11 1HZ LYS 11 11.185 -20.037 8.682 94 HZ2 LYS 11 2HZ LYS 11 12.562 -20.793 9.164 95 HZ3 LYS 11 3HZ LYS 11 12.030 -20.947 7.601 96 H ALA 12 H ALA 12 16.281 -15.745 9.498 97 HA ALA 12 HA ALA 12 19.159 -15.490 9.110 98 HB1 ALA 12 1HB ALA 12 19.178 -15.799 11.573 99 HB2 ALA 12 2HB ALA 12 17.992 -14.577 11.092 100 HB3 ALA 12 3HB ALA 12 17.450 -16.202 11.542 101 H LEU 13 H LEU 13 20.617 -17.133 8.783 102 HA LEU 13 HA LEU 13 19.638 -19.948 8.923 103 HB2 LEU 13 1HB LEU 13 22.314 -18.766 8.137 104 HB3 LEU 13 2HB LEU 13 21.916 -20.465 8.086 105 HG LEU 13 HG LEU 13 21.784 -19.986 5.922 106 HD11 LEU 13 1HD1 LEU 13 18.991 -19.038 6.623 107 HD12 LEU 13 2HD1 LEU 13 19.505 -20.750 6.607 108 HD13 LEU 13 3HD1 LEU 13 19.537 -19.798 5.107 109 HD21 LEU 13 1HD2 LEU 13 21.297 -17.915 4.897 110 HD22 LEU 13 2HD2 LEU 13 22.369 -17.612 6.265 111 HD23 LEU 13 3HD2 LEU 13 20.628 -17.260 6.408 112 H TYR 14 H TYR 14 21.289 -17.620 10.774 113 HA TYR 14 HA TYR 14 22.045 -19.654 12.793 114 HB2 TYR 14 1HB TYR 14 23.847 -17.399 11.843 115 HB3 TYR 14 2HB TYR 14 24.199 -18.583 13.102 116 HD1 TYR 14 HD1 TYR 14 24.119 -17.941 9.488 117 HD2 TYR 14 HD2 TYR 14 24.652 -20.987 12.483 118 HE1 TYR 14 HE1 TYR 14 25.095 -19.456 7.775 119 HE2 TYR 14 HE2 TYR 14 25.650 -22.477 10.776 120 HH TYR 14 HH TYR 14 26.247 -22.742 8.592 121 H ASP 15 H ASP 15 22.491 -18.433 14.911 122 HA ASP 15 HA ASP 15 20.540 -16.245 15.200 123 HB2 ASP 15 1HB ASP 15 21.185 -16.327 17.550 124 HB3 ASP 15 2HB ASP 15 20.842 -17.966 16.977 125 H ASN 16 H ASN 16 21.365 -14.275 16.452 126 HA ASN 16 HA ASN 16 24.167 -13.581 15.850 127 HB2 ASN 16 1HB ASN 16 22.670 -12.870 13.882 128 HB3 ASN 16 2HB ASN 16 21.941 -11.714 14.994 129 HD21 ASN 16 1HD2 ASN 16 24.478 -9.398 14.435 130 HD22 ASN 16 2HD2 ASN 16 22.793 -9.737 14.816 131 H VAL 17 H VAL 17 24.986 -12.486 17.517 132 HA VAL 17 HA VAL 17 23.114 -11.289 19.491 133 HB VAL 17 HB VAL 17 26.055 -12.096 19.782 134 HG11 VAL 17 1HG1 VAL 17 24.092 -10.991 21.841 135 HG12 VAL 17 2HG1 VAL 17 25.723 -11.582 22.195 136 HG13 VAL 17 3HG1 VAL 17 25.513 -10.141 21.187 137 HG21 VAL 17 1HG2 VAL 17 25.206 -13.834 21.338 138 HG22 VAL 17 2HG2 VAL 17 23.535 -13.363 20.945 139 HG23 VAL 17 3HG2 VAL 17 24.580 -14.071 19.692 140 H ALA 18 H ALA 18 23.007 -9.150 19.360 141 HA ALA 18 HA ALA 18 24.583 -7.701 17.427 142 HB1 ALA 18 1HB ALA 18 23.315 -5.735 18.316 143 HB2 ALA 18 2HB ALA 18 22.263 -7.086 17.845 144 HB3 ALA 18 3HB ALA 18 22.611 -6.779 19.568 145 H GLU 19 H GLU 19 26.535 -6.863 17.727 146 HA GLU 19 HA GLU 19 27.528 -6.525 20.545 147 HB2 GLU 19 1HB GLU 19 28.987 -6.907 17.906 148 HB3 GLU 19 2HB GLU 19 29.781 -6.599 19.463 149 HG2 GLU 19 1HG GLU 19 28.871 -8.652 20.375 150 HG3 GLU 19 2HG GLU 19 27.990 -8.980 18.882 151 H SER 20 H SER 20 26.694 -4.973 17.593 152 HA SER 20 HA SER 20 27.905 -2.384 18.520 153 HB2 SER 20 1HB SER 20 28.551 -3.035 16.229 154 HB3 SER 20 2HB SER 20 26.847 -3.275 15.802 155 HG SER 20 HG SER 20 28.156 -1.107 15.470 156 HA PRO 21 HA PRO 21 23.801 -1.338 19.662 157 HB2 PRO 21 1HB PRO 21 23.806 1.396 19.464 158 HB3 PRO 21 2HB PRO 21 24.701 0.510 20.742 159 HG2 PRO 21 1HG PRO 21 25.742 1.554 18.107 160 HG3 PRO 21 2HG PRO 21 26.408 1.791 19.747 161 HD2 PRO 21 1HD PRO 21 27.403 -0.070 18.160 162 HD3 PRO 21 2HD PRO 21 27.182 -0.382 19.912 163 H ASP 22 H ASP 22 25.017 -0.698 16.481 164 HA ASP 22 HA ASP 22 22.400 0.218 15.459 165 HB2 ASP 22 1HB ASP 22 24.952 0.762 14.720 166 HB3 ASP 22 2HB ASP 22 24.640 -0.605 13.663 167 H GLU 23 H GLU 23 23.846 -2.681 16.297 168 HA GLU 23 HA GLU 23 22.977 -4.152 13.908 169 HB2 GLU 23 1HB GLU 23 25.213 -4.439 15.032 170 HB3 GLU 23 2HB GLU 23 24.366 -5.187 16.386 171 HG2 GLU 23 1HG GLU 23 23.539 -6.951 14.872 172 HG3 GLU 23 2HG GLU 23 24.386 -6.172 13.525 173 H LEU 24 H LEU 24 21.609 -5.977 13.955 174 HA LEU 24 HA LEU 24 19.599 -5.920 16.159 175 HB2 LEU 24 1HB LEU 24 19.588 -7.209 13.424 176 HB3 LEU 24 2HB LEU 24 18.342 -7.480 14.627 177 HG LEU 24 HG LEU 24 19.010 -4.803 13.380 178 HD11 LEU 24 1HD1 LEU 24 16.787 -6.800 12.895 179 HD12 LEU 24 2HD1 LEU 24 18.009 -6.221 11.743 180 HD13 LEU 24 3HD1 LEU 24 16.744 -5.115 12.327 181 HD21 LEU 24 1HD2 LEU 24 16.835 -5.653 15.336 182 HD22 LEU 24 2HD2 LEU 24 16.867 -4.098 14.468 183 HD23 LEU 24 3HD2 LEU 24 18.158 -4.488 15.616 184 H SER 25 H SER 25 19.067 -7.633 17.380 185 HA SER 25 HA SER 25 20.862 -10.002 17.220 186 HB2 SER 25 1HB SER 25 20.177 -10.400 19.570 187 HB3 SER 25 2HB SER 25 20.964 -8.820 19.384 188 HG SER 25 HG SER 25 18.149 -9.131 19.232 189 H PHE 26 H PHE 26 19.959 -11.884 16.785 190 HA PHE 26 HA PHE 26 17.074 -12.354 17.089 191 HB2 PHE 26 1HB PHE 26 16.771 -12.971 14.691 192 HB3 PHE 26 2HB PHE 26 16.981 -11.249 14.986 193 HD1 PHE 26 HD1 PHE 26 18.595 -10.007 13.902 194 HD2 PHE 26 HD2 PHE 26 18.858 -14.306 13.880 195 HE1 PHE 26 HE1 PHE 26 20.377 -9.882 12.203 196 HE2 PHE 26 HE2 PHE 26 20.669 -14.188 12.175 197 HZ PHE 26 HZ PHE 26 21.416 -11.981 11.312 198 H ARG 27 H ARG 27 16.461 -14.534 16.170 199 HA ARG 27 HA ARG 27 18.598 -16.468 16.964 200 HB2 ARG 27 1HB ARG 27 16.262 -16.189 18.105 201 HB3 ARG 27 2HB ARG 27 15.607 -16.925 16.646 202 HG2 ARG 27 1HG ARG 27 15.785 -18.639 18.231 203 HG3 ARG 27 2HG ARG 27 17.132 -18.910 17.113 204 HD2 ARG 27 1HD ARG 27 18.698 -17.898 18.678 205 HD3 ARG 27 2HD ARG 27 17.378 -17.400 19.748 206 HE ARG 27 HE ARG 27 18.568 -20.065 19.502 207 HH11 ARG 27 1HH1 ARG 27 15.771 -18.263 20.694 208 HH12 ARG 27 2HH1 ARG 27 15.334 -19.510 21.829 209 HH21 ARG 27 1HH2 ARG 27 17.944 -21.612 20.964 210 HH22 ARG 27 2HH2 ARG 27 16.533 -21.378 21.962 211 H LYS 28 H LYS 28 18.782 -18.415 15.727 212 HA LYS 28 HA LYS 28 18.683 -18.232 12.884 213 HB2 LYS 28 1HB LYS 28 20.068 -19.855 14.079 214 HB3 LYS 28 2HB LYS 28 18.657 -20.571 14.845 215 HG2 LYS 28 1HG LYS 28 17.888 -21.483 12.743 216 HG3 LYS 28 2HG LYS 28 19.197 -20.677 11.873 217 HD2 LYS 28 1HD LYS 28 20.859 -21.927 13.175 218 HD3 LYS 28 2HD LYS 28 19.558 -22.689 14.112 219 HE2 LYS 28 1HE LYS 28 18.705 -23.660 11.935 220 HE3 LYS 28 2HE LYS 28 20.214 -23.072 11.176 221 HZ1 LYS 28 1HZ LYS 28 19.976 -24.981 13.432 222 HZ2 LYS 28 2HZ LYS 28 21.404 -24.322 12.918 223 HZ3 LYS 28 3HZ LYS 28 20.545 -25.303 11.911 224 H GLY 29 H GLY 29 17.058 -18.530 11.467 225 HA2 GLY 29 1HA GLY 29 15.055 -19.520 10.716 226 HA3 GLY 29 2HA GLY 29 14.581 -19.881 12.376 227 H ASP 30 H ASP 30 15.530 -16.794 12.744 228 HA ASP 30 HA ASP 30 12.802 -15.832 12.728 229 HB2 ASP 30 1HB ASP 30 15.489 -14.517 13.213 230 HB3 ASP 30 2HB ASP 30 13.998 -13.589 13.178 231 H ILE 31 H ILE 31 12.063 -13.920 11.616 232 HA ILE 31 HA ILE 31 13.248 -13.667 8.883 233 HB ILE 31 HB ILE 31 10.317 -13.354 9.732 234 HG12 ILE 31 1HG1 ILE 31 10.901 -15.707 9.684 235 HG13 ILE 31 2HG1 ILE 31 9.897 -15.314 8.292 236 HG21 ILE 31 1HG2 ILE 31 11.717 -12.976 7.036 237 HG22 ILE 31 2HG2 ILE 31 9.953 -13.200 7.192 238 HG23 ILE 31 3HG2 ILE 31 10.738 -11.799 7.944 239 HD11 ILE 31 1HD1 ILE 31 11.496 -16.707 7.392 240 HD12 ILE 31 2HD1 ILE 31 12.158 -15.115 6.994 241 HD13 ILE 31 3HD1 ILE 31 12.808 -16.027 8.377 242 H MET 32 H MET 32 13.908 -11.679 8.339 243 HA MET 32 HA MET 32 12.743 -9.368 9.835 244 HB2 MET 32 1HB MET 32 14.955 -8.271 9.732 245 HB3 MET 32 2HB MET 32 14.941 -9.711 10.734 246 HG2 MET 32 1HG MET 32 15.750 -10.802 8.399 247 HG3 MET 32 2HG MET 32 16.411 -9.174 8.243 248 HE1 MET 32 1HE MET 32 15.767 -11.695 11.335 249 HE2 MET 32 2HE MET 32 16.533 -12.627 10.031 250 HE3 MET 32 3HE MET 32 17.427 -12.300 11.527 251 H THR 33 H THR 33 12.702 -7.438 8.697 252 HA THR 33 HA THR 33 12.276 -7.850 5.785 253 HB THR 33 HB THR 33 11.746 -5.439 7.592 254 HG1 THR 33 HG1 THR 33 9.572 -6.150 7.333 255 HG21 THR 33 1HG2 THR 33 12.018 -4.682 5.314 256 HG22 THR 33 2HG2 THR 33 10.285 -4.710 5.691 257 HG23 THR 33 3HG2 THR 33 10.989 -6.006 4.701 258 H VAL 34 H VAL 34 13.998 -7.553 4.476 259 HA VAL 34 HA VAL 34 16.296 -5.951 5.336 260 HB VAL 34 HB VAL 34 15.728 -7.175 2.626 261 HG11 VAL 34 1HG1 VAL 34 17.484 -5.503 2.502 262 HG12 VAL 34 2HG1 VAL 34 18.304 -6.204 3.912 263 HG13 VAL 34 3HG1 VAL 34 18.213 -7.109 2.382 264 HG21 VAL 34 1HG2 VAL 34 17.231 -9.005 3.415 265 HG22 VAL 34 2HG2 VAL 34 17.135 -8.320 5.046 266 HG23 VAL 34 3HG2 VAL 34 15.669 -8.942 4.246 267 H LEU 35 H LEU 35 16.393 -3.849 5.142 268 HA LEU 35 HA LEU 35 14.453 -2.464 3.404 269 HB2 LEU 35 1HB LEU 35 16.464 -1.479 5.450 270 HB3 LEU 35 2HB LEU 35 15.288 -0.466 4.617 271 HG LEU 35 HG LEU 35 14.565 -2.789 6.441 272 HD11 LEU 35 1HD1 LEU 35 14.722 0.189 6.923 273 HD12 LEU 35 2HD1 LEU 35 15.653 -1.103 7.718 274 HD13 LEU 35 3HD1 LEU 35 13.908 -0.966 8.002 275 HD21 LEU 35 1HD2 LEU 35 12.317 -1.721 6.435 276 HD22 LEU 35 2HD2 LEU 35 12.797 -2.333 4.845 277 HD23 LEU 35 3HD2 LEU 35 12.888 -0.590 5.185 278 H GLU 36 H GLU 36 17.999 -2.693 3.976 279 HA GLU 36 HA GLU 36 18.347 -2.431 1.084 280 HB2 GLU 36 1HB GLU 36 19.693 -0.534 0.990 281 HB3 GLU 36 2HB GLU 36 18.304 -0.066 1.942 282 HG2 GLU 36 1HG GLU 36 19.711 -0.450 3.942 283 HG3 GLU 36 2HG GLU 36 21.073 -0.543 2.828 284 H ARG 37 H ARG 37 20.854 -2.556 0.620 285 HA ARG 37 HA ARG 37 22.071 -4.391 2.656 286 HB2 ARG 37 1HB ARG 37 22.264 -4.566 -0.369 287 HB3 ARG 37 2HB ARG 37 23.069 -5.634 0.778 288 HG2 ARG 37 1HG ARG 37 20.761 -6.367 1.557 289 HG3 ARG 37 2HG ARG 37 20.106 -5.461 0.176 290 HD2 ARG 37 1HD ARG 37 21.988 -7.824 0.132 291 HD3 ARG 37 2HD ARG 37 20.371 -7.738 -0.568 292 HE ARG 37 HE ARG 37 22.900 -6.645 -1.649 293 HH11 ARG 37 1HH1 ARG 37 19.382 -6.712 -2.025 294 HH12 ARG 37 2HH1 ARG 37 19.458 -6.108 -3.656 295 HH21 ARG 37 1HH2 ARG 37 22.911 -5.876 -3.699 296 HH22 ARG 37 2HH2 ARG 37 21.432 -5.644 -4.593 297 H ASP 38 H ASP 38 24.341 -4.195 2.762 298 HA ASP 38 HA ASP 38 26.316 -3.104 2.756 299 HB2 ASP 38 1HB ASP 38 25.595 -2.297 -0.068 300 HB3 ASP 38 2HB ASP 38 27.215 -2.531 0.603 301 H THR 39 H THR 39 24.161 -1.953 3.886 302 HA THR 39 HA THR 39 23.603 0.752 3.191 303 HB THR 39 HB THR 39 22.078 -0.588 4.546 304 HG1 THR 39 HG1 THR 39 21.745 1.476 5.072 305 HG21 THR 39 1HG2 THR 39 23.490 -2.045 5.731 306 HG22 THR 39 2HG2 THR 39 22.591 -1.074 6.906 307 HG23 THR 39 3HG2 THR 39 24.295 -0.701 6.574 308 H GLN 40 H GLN 40 24.307 2.682 4.096 309 HA GLN 40 HA GLN 40 25.848 4.172 4.850 310 HB2 GLN 40 1HB GLN 40 26.660 2.256 7.019 311 HB3 GLN 40 2HB GLN 40 26.582 4.012 7.064 312 HG2 GLN 40 1HG GLN 40 24.053 3.710 6.761 313 HG3 GLN 40 2HG GLN 40 24.329 2.017 7.167 314 HE21 GLN 40 1HE2 GLN 40 24.517 2.526 10.599 315 HE22 GLN 40 2HE2 GLN 40 24.526 1.419 9.242 316 H GLY 41 H GLY 41 26.781 1.891 3.003 317 HA2 GLY 41 1HA GLY 41 28.784 1.596 1.869 318 HA3 GLY 41 2HA GLY 41 29.585 2.680 3.023 319 H LEU 42 H LEU 42 27.759 0.237 4.598 320 HA LEU 42 HA LEU 42 30.260 -1.071 5.410 321 HB2 LEU 42 1HB LEU 42 27.392 -1.436 6.307 322 HB3 LEU 42 2HB LEU 42 28.822 -2.095 7.096 323 HG LEU 42 HG LEU 42 28.284 0.870 6.833 324 HD11 LEU 42 1HD1 LEU 42 26.474 -0.164 8.042 325 HD12 LEU 42 2HD1 LEU 42 27.522 0.745 9.157 326 HD13 LEU 42 3HD1 LEU 42 27.639 -1.036 9.086 327 HD21 LEU 42 1HD2 LEU 42 29.859 1.000 8.721 328 HD22 LEU 42 2HD2 LEU 42 30.607 0.329 7.259 329 HD23 LEU 42 3HD2 LEU 42 30.125 -0.750 8.595 330 H ASP 43 H ASP 43 30.743 -2.171 3.461 331 HA ASP 43 HA ASP 43 28.963 -3.781 1.973 332 HB2 ASP 43 1HB ASP 43 31.937 -3.917 2.472 333 HB3 ASP 43 2HB ASP 43 31.120 -5.167 1.523 334 H GLY 44 H GLY 44 27.987 -5.665 2.260 335 HA2 GLY 44 1HA GLY 44 27.755 -7.860 3.080 336 HA3 GLY 44 2HA GLY 44 29.091 -7.593 4.207 337 H TRP 45 H TRP 45 27.474 -4.924 4.973 338 HA TRP 45 HA TRP 45 25.822 -6.305 7.010 339 HB2 TRP 45 1HB TRP 45 26.883 -3.524 6.568 340 HB3 TRP 45 2HB TRP 45 25.685 -3.826 7.782 341 HD1 TRP 45 HD1 TRP 45 29.376 -3.987 7.200 342 HE1 TRP 45 HE1 TRP 45 30.628 -4.944 9.197 343 HE3 TRP 45 HE3 TRP 45 25.327 -5.818 9.694 344 HZ2 TRP 45 HZ2 TRP 45 29.930 -6.374 11.589 345 HZ3 TRP 45 HZ3 TRP 45 25.673 -6.970 11.869 346 HH2 TRP 45 HH2 TRP 45 27.945 -7.239 12.806 347 H TRP 46 H TRP 46 23.634 -6.362 6.851 348 HA TRP 46 HA TRP 46 22.406 -4.725 4.657 349 HB2 TRP 46 1HB TRP 46 21.559 -7.395 5.839 350 HB3 TRP 46 2HB TRP 46 20.659 -6.500 4.611 351 HD1 TRP 46 HD1 TRP 46 24.072 -6.003 3.513 352 HE1 TRP 46 HE1 TRP 46 24.892 -7.664 1.798 353 HE3 TRP 46 HE3 TRP 46 20.411 -9.533 4.184 354 HZ2 TRP 46 HZ2 TRP 46 24.100 -10.253 0.852 355 HZ3 TRP 46 HZ3 TRP 46 20.539 -11.638 2.853 356 HH2 TRP 46 HH2 TRP 46 22.344 -11.974 1.187 357 H LEU 47 H LEU 47 20.927 -3.246 5.216 358 HA LEU 47 HA LEU 47 20.251 -2.856 8.041 359 HB2 LEU 47 1HB LEU 47 20.551 -0.949 6.468 360 HB3 LEU 47 2HB LEU 47 19.222 -1.556 5.491 361 HG LEU 47 HG LEU 47 17.659 -1.079 7.290 362 HD11 LEU 47 1HD1 LEU 47 20.083 -0.094 8.822 363 HD12 LEU 47 2HD1 LEU 47 18.993 -1.433 9.266 364 HD13 LEU 47 3HD1 LEU 47 18.398 0.233 9.280 365 HD21 LEU 47 1HD2 LEU 47 18.191 0.671 5.642 366 HD22 LEU 47 2HD2 LEU 47 19.479 1.284 6.705 367 HD23 LEU 47 3HD2 LEU 47 17.774 1.371 7.220 368 H CYS 48 H CYS 48 18.685 -3.959 9.023 369 HA CYS 48 HA CYS 48 16.315 -4.692 7.366 370 HB2 CYS 48 1HB CYS 48 17.531 -6.526 9.459 371 HB3 CYS 48 2HB CYS 48 16.219 -6.879 8.339 372 HG CYS 48 HG CYS 48 19.405 -6.275 7.663 373 H SER 49 H SER 49 14.486 -5.391 8.752 374 HA SER 49 HA SER 49 14.476 -3.930 11.353 375 HB2 SER 49 1HB SER 49 12.784 -2.628 10.695 376 HB3 SER 49 2HB SER 49 13.126 -3.140 9.050 377 HG SER 49 HG SER 49 10.948 -3.484 9.578 378 H LEU 50 H LEU 50 13.836 -5.106 13.001 379 HA LEU 50 HA LEU 50 12.290 -7.623 12.548 380 HB2 LEU 50 1HB LEU 50 14.723 -8.182 12.494 381 HB3 LEU 50 2HB LEU 50 14.923 -7.377 14.042 382 HG LEU 50 HG LEU 50 12.904 -9.245 14.512 383 HD11 LEU 50 1HD1 LEU 50 13.756 -11.333 13.773 384 HD12 LEU 50 2HD1 LEU 50 15.137 -10.539 12.975 385 HD13 LEU 50 3HD1 LEU 50 13.481 -10.283 12.360 386 HD21 LEU 50 1HD2 LEU 50 14.626 -8.577 16.064 387 HD22 LEU 50 2HD2 LEU 50 15.887 -9.322 15.044 388 HD23 LEU 50 3HD2 LEU 50 14.669 -10.342 15.860 389 H HIS 51 H HIS 51 10.775 -7.819 14.116 390 HA HIS 51 HA HIS 51 9.483 -7.332 15.944 391 HB2 HIS 51 1HB HIS 51 12.129 -6.808 17.345 392 HB3 HIS 51 2HB HIS 51 10.579 -7.144 18.118 393 HD1 HIS 51 HD1 HIS 51 13.105 -8.936 18.595 394 HD2 HIS 51 HD2 HIS 51 10.123 -9.730 15.806 395 HE1 HIS 51 HE1 HIS 51 13.153 -11.429 18.161 396 H GLY 52 H GLY 52 10.241 -5.070 14.110 397 HA2 GLY 52 1HA GLY 52 9.569 -2.848 14.063 398 HA3 GLY 52 2HA GLY 52 9.210 -2.922 15.792 399 H ARG 53 H ARG 53 12.381 -4.026 15.174 400 HA ARG 53 HA ARG 53 13.487 -1.346 15.906 401 HB2 ARG 53 1HB ARG 53 13.585 -3.590 17.413 402 HB3 ARG 53 2HB ARG 53 14.947 -3.940 16.366 403 HG2 ARG 53 1HG ARG 53 14.791 -1.281 17.786 404 HG3 ARG 53 2HG ARG 53 15.301 -2.732 18.662 405 HD2 ARG 53 1HD ARG 53 17.019 -3.121 16.877 406 HD3 ARG 53 2HD ARG 53 16.601 -1.546 16.196 407 HE ARG 53 HE ARG 53 17.215 -1.239 18.950 408 HH11 ARG 53 1HH1 ARG 53 18.897 -1.892 15.897 409 HH12 ARG 53 2HH1 ARG 53 20.420 -1.311 16.532 410 HH21 ARG 53 1HH2 ARG 53 19.186 -0.474 19.625 411 HH22 ARG 53 2HH2 ARG 53 20.566 -0.496 18.548 412 H GLN 54 H GLN 54 15.103 -0.613 14.567 413 HA GLN 54 HA GLN 54 15.634 -2.241 12.124 414 HB2 GLN 54 1HB GLN 54 15.092 0.546 12.668 415 HB3 GLN 54 2HB GLN 54 16.653 0.375 11.858 416 HG2 GLN 54 1HG GLN 54 15.577 -0.916 10.090 417 HG3 GLN 54 2HG GLN 54 14.021 -0.758 10.917 418 HE21 GLN 54 1HE2 GLN 54 15.645 2.662 9.299 419 HE22 GLN 54 2HE2 GLN 54 16.697 1.480 10.040 420 H GLY 55 H GLY 55 17.770 -2.533 11.366 421 HA2 GLY 55 1HA GLY 55 20.022 -1.223 12.443 422 HA3 GLY 55 2HA GLY 55 19.784 -2.696 13.391 423 H ILE 56 H ILE 56 22.120 -2.464 12.110 424 HA ILE 56 HA ILE 56 21.962 -3.708 9.462 425 HB ILE 56 HB ILE 56 24.420 -3.678 9.476 426 HG12 ILE 56 1HG1 ILE 56 24.126 -2.757 12.386 427 HG13 ILE 56 2HG1 ILE 56 24.731 -4.329 11.869 428 HG21 ILE 56 1HG2 ILE 56 24.723 -1.294 9.516 429 HG22 ILE 56 2HG2 ILE 56 23.016 -1.542 9.099 430 HG23 ILE 56 3HG2 ILE 56 23.468 -1.051 10.754 431 HD11 ILE 56 1HD1 ILE 56 26.045 -1.622 11.538 432 HD12 ILE 56 2HD1 ILE 56 26.625 -3.042 12.439 433 HD13 ILE 56 3HD1 ILE 56 26.596 -3.072 10.664 434 H VAL 57 H VAL 57 22.834 -5.730 8.937 435 HA VAL 57 HA VAL 57 23.069 -7.726 11.147 436 HB VAL 57 HB VAL 57 21.298 -8.004 8.701 437 HG11 VAL 57 1HG1 VAL 57 22.211 -10.108 9.088 438 HG12 VAL 57 2HG1 VAL 57 21.952 -9.955 10.834 439 HG13 VAL 57 3HG1 VAL 57 20.567 -10.124 9.750 440 HG21 VAL 57 1HG2 VAL 57 20.174 -6.595 10.291 441 HG22 VAL 57 2HG2 VAL 57 19.422 -8.202 10.363 442 HG23 VAL 57 3HG2 VAL 57 20.588 -7.702 11.616 443 HA PRO 58 HA PRO 58 26.281 -8.832 8.263 444 HB2 PRO 58 1HB PRO 58 26.972 -11.335 9.160 445 HB3 PRO 58 2HB PRO 58 27.399 -9.836 10.050 446 HG2 PRO 58 1HG PRO 58 25.093 -11.704 10.520 447 HG3 PRO 58 2HG PRO 58 26.266 -11.042 11.697 448 HD2 PRO 58 1HD PRO 58 23.810 -9.953 11.330 449 HD3 PRO 58 2HD PRO 58 25.227 -8.947 11.707 450 H GLY 59 H GLY 59 25.709 -9.264 6.197 451 HA2 GLY 59 1HA GLY 59 23.474 -10.856 5.449 452 HA3 GLY 59 2HA GLY 59 24.790 -10.332 4.382 453 H ASN 60 H ASN 60 26.744 -11.704 6.205 454 HA ASN 60 HA ASN 60 26.960 -14.196 4.859 455 HB2 ASN 60 1HB ASN 60 28.719 -12.734 6.122 456 HB3 ASN 60 2HB ASN 60 28.196 -13.625 7.564 457 HD21 ASN 60 1HD2 ASN 60 30.869 -15.733 6.631 458 HD22 ASN 60 2HD2 ASN 60 30.375 -14.424 7.679 459 H ARG 61 H ARG 61 24.934 -13.322 7.535 460 HA ARG 61 HA ARG 61 24.546 -16.228 8.174 461 HB2 ARG 61 1HB ARG 61 24.000 -13.775 9.883 462 HB3 ARG 61 2HB ARG 61 23.655 -15.446 10.341 463 HG2 ARG 61 1HG ARG 61 26.089 -15.960 10.144 464 HG3 ARG 61 2HG ARG 61 26.397 -14.235 9.847 465 HD2 ARG 61 1HD ARG 61 25.379 -13.681 12.022 466 HD3 ARG 61 2HD ARG 61 25.039 -15.399 12.294 467 HE ARG 61 HE ARG 61 27.837 -15.010 11.753 468 HH11 ARG 61 1HH1 ARG 61 25.464 -14.638 14.368 469 HH12 ARG 61 2HH1 ARG 61 26.698 -14.752 15.598 470 HH21 ARG 61 1HH2 ARG 61 29.302 -15.185 13.365 471 HH22 ARG 61 2HH2 ARG 61 28.826 -15.049 15.041 472 H LEU 62 H LEU 62 23.261 -14.072 6.166 473 HA LEU 62 HA LEU 62 20.439 -14.742 6.914 474 HB2 LEU 62 1HB LEU 62 21.737 -12.244 5.947 475 HB3 LEU 62 2HB LEU 62 20.191 -12.653 5.216 476 HG LEU 62 HG LEU 62 20.686 -12.246 8.164 477 HD11 LEU 62 1HD1 LEU 62 19.223 -10.616 6.064 478 HD12 LEU 62 2HD1 LEU 62 20.785 -10.201 6.817 479 HD13 LEU 62 3HD1 LEU 62 19.308 -10.236 7.800 480 HD21 LEU 62 1HD2 LEU 62 18.156 -12.227 8.275 481 HD22 LEU 62 2HD2 LEU 62 18.914 -13.795 8.056 482 HD23 LEU 62 3HD2 LEU 62 18.170 -12.986 6.672 483 H LYS 63 H LYS 63 18.959 -15.188 5.389 484 HA LYS 63 HA LYS 63 20.003 -15.570 2.601 485 HB2 LYS 63 1HB LYS 63 19.689 -17.798 3.600 486 HB3 LYS 63 2HB LYS 63 18.052 -17.368 4.101 487 HG2 LYS 63 1HG LYS 63 17.379 -17.163 1.735 488 HG3 LYS 63 2HG LYS 63 19.031 -17.490 1.216 489 HD2 LYS 63 1HD LYS 63 17.805 -19.498 0.924 490 HD3 LYS 63 2HD LYS 63 18.848 -19.757 2.333 491 HE2 LYS 63 1HE LYS 63 17.050 -19.659 3.834 492 HE3 LYS 63 2HE LYS 63 16.040 -18.737 2.702 493 HZ1 LYS 63 1HZ LYS 63 16.755 -21.594 2.368 494 HZ2 LYS 63 2HZ LYS 63 15.833 -20.717 1.316 495 HZ3 LYS 63 3HZ LYS 63 15.280 -21.027 2.840 496 H ILE 64 H ILE 64 19.043 -14.255 1.280 497 HA ILE 64 HA ILE 64 16.618 -12.849 1.933 498 HB ILE 64 HB ILE 64 17.946 -13.299 -0.795 499 HG12 ILE 64 1HG1 ILE 64 19.507 -12.241 0.793 500 HG13 ILE 64 2HG1 ILE 64 19.042 -11.160 -0.515 501 HG21 ILE 64 1HG2 ILE 64 15.874 -11.328 0.176 502 HG22 ILE 64 2HG2 ILE 64 16.780 -11.105 -1.332 503 HG23 ILE 64 3HG2 ILE 64 15.712 -12.511 -1.130 504 HD11 ILE 64 1HD1 ILE 64 19.112 -9.882 1.529 505 HD12 ILE 64 2HD1 ILE 64 17.412 -10.024 1.065 506 HD13 ILE 64 3HD1 ILE 64 18.071 -11.044 2.367 507 H LEU 65 H LEU 65 14.545 -13.504 1.675 508 HA LEU 65 HA LEU 65 14.084 -16.126 0.338 509 HB2 LEU 65 1HB LEU 65 12.209 -14.338 1.946 510 HB3 LEU 65 2HB LEU 65 11.856 -15.969 1.374 511 HG LEU 65 HG LEU 65 13.961 -15.210 3.433 512 HD11 LEU 65 1HD1 LEU 65 12.466 -16.322 5.014 513 HD12 LEU 65 2HD1 LEU 65 11.271 -16.573 3.727 514 HD13 LEU 65 3HD1 LEU 65 11.690 -14.930 4.257 515 HD21 LEU 65 1HD2 LEU 65 14.693 -17.174 2.236 516 HD22 LEU 65 2HD2 LEU 65 13.083 -17.925 2.386 517 HD23 LEU 65 3HD2 LEU 65 14.097 -17.672 3.832 518 H VAL 66 H VAL 66 14.460 -15.384 -1.781 519 HA VAL 66 HA VAL 66 13.208 -13.030 -2.827 520 HB VAL 66 HB VAL 66 14.203 -15.435 -4.430 521 HG11 VAL 66 1HG1 VAL 66 12.944 -13.760 -5.746 522 HG12 VAL 66 2HG1 VAL 66 13.975 -12.470 -5.101 523 HG13 VAL 66 3HG1 VAL 66 14.664 -13.710 -6.166 524 HG21 VAL 66 1HG2 VAL 66 15.794 -13.059 -3.356 525 HG22 VAL 66 2HG2 VAL 66 15.990 -14.767 -2.881 526 HG23 VAL 66 3HG2 VAL 66 16.394 -14.251 -4.525 527 H GLY 67 H GLY 67 12.288 -16.459 -2.749 528 HA2 GLY 67 1HA GLY 67 10.126 -17.319 -2.899 529 HA3 GLY 67 2HA GLY 67 9.526 -15.708 -3.331 530 H MET 68 H MET 68 11.199 -15.179 -5.532 531 HA MET 68 HA MET 68 9.799 -16.582 -7.615 532 HB2 MET 68 1HB MET 68 12.297 -14.856 -7.776 533 HB3 MET 68 2HB MET 68 11.256 -15.301 -9.133 534 HG2 MET 68 1HG MET 68 9.389 -14.047 -8.102 535 HG3 MET 68 2HG MET 68 10.432 -13.616 -6.733 536 HE1 MET 68 1HE MET 68 10.743 -13.636 -10.752 537 HE2 MET 68 2HE MET 68 9.255 -12.768 -10.298 538 HE3 MET 68 3HE MET 68 10.626 -11.883 -11.015 539 H TYR 69 H TYR 69 12.813 -17.114 -5.945 540 HA TYR 69 HA TYR 69 13.073 -19.729 -7.162 541 HB2 TYR 69 1HB TYR 69 15.415 -19.420 -7.908 542 HB3 TYR 69 2HB TYR 69 14.285 -18.476 -8.877 543 HD1 TYR 69 HD1 TYR 69 16.877 -18.251 -6.190 544 HD2 TYR 69 HD2 TYR 69 14.448 -16.076 -9.007 545 HE1 TYR 69 HE1 TYR 69 18.211 -16.183 -5.772 546 HE2 TYR 69 HE2 TYR 69 15.804 -14.024 -8.583 547 HH TYR 69 HH TYR 69 17.556 -13.102 -7.423 548 H ASP 70 H ASP 70 14.916 -20.900 -5.998 549 HA ASP 70 HA ASP 70 15.734 -19.604 -3.462 550 HB2 ASP 70 1HB ASP 70 13.512 -21.104 -3.332 551 HB3 ASP 70 2HB ASP 70 14.703 -22.413 -3.284 552 H LYS 71 H LYS 71 17.426 -21.034 -2.380 553 HA LYS 71 HA LYS 71 19.036 -22.342 -4.554 554 HB2 LYS 71 1HB LYS 71 20.019 -20.740 -2.171 555 HB3 LYS 71 2HB LYS 71 21.054 -21.660 -3.279 556 HG2 LYS 71 1HG LYS 71 20.006 -20.272 -5.168 557 HG3 LYS 71 2HG LYS 71 19.417 -19.185 -3.897 558 HD2 LYS 71 1HD LYS 71 22.340 -20.000 -4.218 559 HD3 LYS 71 2HD LYS 71 21.653 -18.562 -4.989 560 HE2 LYS 71 1HE LYS 71 21.590 -19.037 -1.980 561 HE3 LYS 71 2HE LYS 71 22.877 -18.144 -2.816 562 HZ1 LYS 71 1HZ LYS 71 21.207 -16.584 -3.615 563 HZ2 LYS 71 2HZ LYS 71 21.170 -16.657 -1.962 564 HZ3 LYS 71 3HZ LYS 71 20.001 -17.405 -2.858 565 H LYS 72 H LYS 72 17.077 -23.577 -2.662 566 HA LYS 72 HA LYS 72 18.917 -25.774 -1.877 567 HB2 LYS 72 1HB LYS 72 16.745 -24.573 -0.103 568 HB3 LYS 72 2HB LYS 72 17.400 -26.189 0.135 569 HG2 LYS 72 1HG LYS 72 19.049 -23.628 0.243 570 HG3 LYS 72 2HG LYS 72 18.400 -24.457 1.656 571 HD2 LYS 72 1HD LYS 72 20.310 -25.799 -0.321 572 HD3 LYS 72 2HD LYS 72 20.866 -24.911 1.091 573 HE2 LYS 72 1HE LYS 72 18.878 -27.183 1.390 574 HE3 LYS 72 2HE LYS 72 20.616 -27.493 1.255 575 HZ1 LYS 72 1HZ LYS 72 19.949 -27.336 3.556 576 HZ2 LYS 72 2HZ LYS 72 19.356 -25.809 3.337 577 HZ3 LYS 72 3HZ LYS 72 20.972 -26.099 3.197 578 HA PRO 73 HA PRO 73 15.806 -27.664 -4.291 579 HB2 PRO 73 1HB PRO 73 16.031 -30.301 -3.708 580 HB3 PRO 73 2HB PRO 73 17.355 -29.408 -4.518 581 HG2 PRO 73 1HG PRO 73 17.025 -30.043 -1.586 582 HG3 PRO 73 2HG PRO 73 18.439 -30.344 -2.652 583 HD2 PRO 73 1HD PRO 73 18.299 -28.158 -1.056 584 HD3 PRO 73 2HD PRO 73 19.044 -28.084 -2.696 585 H ALA 74 H ALA 74 15.550 -27.729 -0.857 586 HA ALA 74 HA ALA 74 12.656 -28.104 -1.040 587 HB1 ALA 74 1HB ALA 74 13.465 -30.451 -0.804 588 HB2 ALA 74 2HB ALA 74 14.400 -29.983 0.638 589 HB3 ALA 74 3HB ALA 74 12.622 -29.913 0.670 590 H GLY 75 H GLY 75 11.657 -27.686 1.076 591 HA2 GLY 75 1HA GLY 75 13.313 -25.845 2.760 592 HA3 GLY 75 2HA GLY 75 11.579 -25.617 2.429 593 H SER 76 H SER 76 11.258 -25.702 4.801 594 HA SER 76 HA SER 76 11.774 -28.214 6.195 595 HB2 SER 76 1HB SER 76 10.235 -27.154 7.900 596 HB3 SER 76 2HB SER 76 11.646 -26.159 7.480 597 HG SER 76 HG SER 76 9.031 -25.900 6.369 598 H GLY 77 H GLY 77 10.244 -29.824 6.665 599 HA2 GLY 77 1HA GLY 77 7.661 -29.643 5.162 600 HA3 GLY 77 2HA GLY 77 8.563 -31.159 5.370 601 H GLY 78 H GLY 78 9.336 -31.100 7.971 602 HA2 GLY 78 1HA GLY 78 6.781 -31.313 9.431 603 HA3 GLY 78 2HA GLY 78 8.391 -31.826 10.001 604 H SER 79 H SER 79 7.252 -30.523 11.916 605 HA SER 79 HA SER 79 7.164 -27.696 11.820 606 HB2 SER 79 1HB SER 79 7.908 -29.447 14.197 607 HB3 SER 79 2HB SER 79 7.180 -27.827 14.248 608 HG SER 79 HG SER 79 5.293 -28.661 13.461 609 H GLY 80 H GLY 80 8.675 -26.104 12.172 610 HA2 GLY 80 1HA GLY 80 11.497 -26.914 11.959 611 HA3 GLY 80 2HA GLY 80 10.842 -25.277 11.796 612 H SER 81 H SER 81 9.695 -27.043 14.497 613 HA SER 81 HA SER 81 11.055 -25.210 16.342 614 HB2 SER 81 1HB SER 81 9.576 -26.398 18.004 615 HB3 SER 81 2HB SER 81 8.681 -25.661 16.656 616 HG SER 81 HG SER 81 9.532 -28.370 16.671 617 H GLY 82 H GLY 82 12.378 -25.899 18.065 618 HA2 GLY 82 1HA GLY 82 13.155 -28.019 19.269 619 HA3 GLY 82 2HA GLY 82 13.635 -28.567 17.646 620 H LEU 83 H LEU 83 15.819 -28.635 18.682 621 HA LEU 83 HA LEU 83 17.141 -25.985 18.323 622 HB2 LEU 83 1HB LEU 83 17.684 -28.037 20.505 623 HB3 LEU 83 2HB LEU 83 18.743 -26.680 20.131 624 HG LEU 83 HG LEU 83 15.885 -26.398 21.132 625 HD11 LEU 83 1HD1 LEU 83 16.903 -25.792 23.280 626 HD12 LEU 83 2HD1 LEU 83 18.524 -26.109 22.614 627 HD13 LEU 83 3HD1 LEU 83 17.355 -27.438 22.801 628 HD21 LEU 83 1HD2 LEU 83 16.623 -24.431 19.847 629 HD22 LEU 83 2HD2 LEU 83 18.129 -24.361 20.786 630 HD23 LEU 83 3HD2 LEU 83 16.564 -24.045 21.571 631 H THR 84 H THR 84 19.208 -26.199 17.380 632 HA THR 84 HA THR 84 20.163 -28.903 16.627 633 HB THR 84 HB THR 84 20.631 -27.776 14.272 634 HG1 THR 84 HG1 THR 84 18.297 -26.370 15.111 635 HG21 THR 84 1HG2 THR 84 18.475 -28.557 13.371 636 HG22 THR 84 2HG2 THR 84 17.811 -28.652 15.019 637 HG23 THR 84 3HG2 THR 84 19.151 -29.717 14.528 638 H ASP 85 H ASP 85 22.461 -28.805 16.249 639 HA ASP 85 HA ASP 85 23.709 -26.325 17.319 640 HB2 ASP 85 1HB ASP 85 24.225 -28.498 18.418 641 HB3 ASP 85 2HB ASP 85 24.883 -29.095 16.886 642 H GLU 86 H GLU 86 24.221 -24.924 15.769 643 HA GLU 86 HA GLU 86 25.838 -25.851 13.465 644 HB2 GLU 86 1HB GLU 86 23.154 -24.497 13.273 645 HB3 GLU 86 2HB GLU 86 24.419 -24.029 12.134 646 HG2 GLU 86 1HG GLU 86 24.609 -26.327 11.319 647 HG3 GLU 86 2HG GLU 86 23.429 -26.877 12.522 648 H LEU 87 H LEU 87 27.635 -24.822 14.261 649 HA LEU 87 HA LEU 87 27.552 -22.259 15.541 650 HB2 LEU 87 1HB LEU 87 29.847 -23.731 14.192 651 HB3 LEU 87 2HB LEU 87 30.025 -22.285 15.182 652 HG LEU 87 HG LEU 87 28.967 -24.951 16.184 653 HD11 LEU 87 1HD1 LEU 87 31.132 -25.147 17.314 654 HD12 LEU 87 2HD1 LEU 87 31.673 -23.612 16.595 655 HD13 LEU 87 3HD1 LEU 87 31.358 -25.029 15.562 656 HD21 LEU 87 1HD2 LEU 87 29.681 -22.387 17.675 657 HD22 LEU 87 2HD2 LEU 87 29.298 -23.953 18.442 658 HD23 LEU 87 3HD2 LEU 87 28.059 -23.102 17.501 659 H ALA 88 H ALA 88 27.940 -20.241 14.785 660 HA ALA 88 HA ALA 88 27.188 -19.895 12.001 661 HB1 ALA 88 1HB ALA 88 26.152 -18.713 13.967 662 HB2 ALA 88 2HB ALA 88 27.658 -17.771 14.106 663 HB3 ALA 88 3HB ALA 88 26.667 -17.663 12.627 664 HA PRO 89 HA PRO 89 31.178 -18.611 10.562 665 HB2 PRO 89 1HB PRO 89 30.536 -17.163 8.360 666 HB3 PRO 89 2HB PRO 89 30.272 -18.927 8.429 667 HG2 PRO 89 1HG PRO 89 28.328 -16.697 8.956 668 HG3 PRO 89 2HG PRO 89 28.153 -18.096 7.854 669 HD2 PRO 89 1HD PRO 89 27.107 -18.115 10.347 670 HD3 PRO 89 2HD PRO 89 27.822 -19.596 9.613 671 HA PRO 90 HA PRO 90 31.888 -14.674 12.279 672 HB2 PRO 90 1HB PRO 90 33.919 -13.539 10.843 673 HB3 PRO 90 2HB PRO 90 34.154 -14.990 11.867 674 HG2 PRO 90 1HG PRO 90 33.637 -14.839 8.902 675 HG3 PRO 90 2HG PRO 90 34.940 -15.711 9.779 676 HD2 PRO 90 1HD PRO 90 32.691 -16.973 8.980 677 HD3 PRO 90 2HD PRO 90 33.446 -17.367 10.556 678 H LYS 91 H LYS 91 31.780 -12.356 12.116 679 HA LYS 91 HA LYS 91 29.817 -11.439 10.125 680 HB2 LYS 91 1HB LYS 91 31.227 -10.008 12.426 681 HB3 LYS 91 2HB LYS 91 29.864 -9.371 11.504 682 HG2 LYS 91 1HG LYS 91 28.415 -11.158 12.420 683 HG3 LYS 91 2HG LYS 91 29.785 -11.797 13.347 684 HD2 LYS 91 1HD LYS 91 30.016 -9.634 14.516 685 HD3 LYS 91 2HD LYS 91 28.653 -8.993 13.582 686 HE2 LYS 91 1HE LYS 91 27.173 -10.720 14.562 687 HE3 LYS 91 2HE LYS 91 28.538 -11.292 15.562 688 HZ1 LYS 91 1HZ LYS 91 28.648 -9.101 16.547 689 HZ2 LYS 91 2HZ LYS 91 27.126 -9.722 16.749 690 HZ3 LYS 91 3HZ LYS 91 27.389 -8.559 15.607 691 HA PRO 92 HA PRO 92 33.076 -9.238 7.908 692 HB2 PRO 92 1HB PRO 92 31.688 -7.102 6.870 693 HB3 PRO 92 2HB PRO 92 31.563 -8.756 6.199 694 HG2 PRO 92 1HG PRO 92 29.733 -7.314 8.036 695 HG3 PRO 92 2HG PRO 92 29.349 -8.326 6.624 696 HD2 PRO 92 1HD PRO 92 29.202 -9.172 9.222 697 HD3 PRO 92 2HD PRO 92 29.542 -10.282 7.856 698 HA PRO 93 HA PRO 93 34.207 -6.356 11.019 699 HB2 PRO 93 1HB PRO 93 35.939 -4.628 9.833 700 HB3 PRO 93 2HB PRO 93 36.320 -6.363 10.019 701 HG2 PRO 93 1HG PRO 93 35.183 -4.927 7.645 702 HG3 PRO 93 2HG PRO 93 36.603 -6.019 7.732 703 HD2 PRO 93 1HD PRO 93 34.161 -6.901 6.952 704 HD3 PRO 93 2HD PRO 93 35.258 -7.936 7.936 705 H LEU 94 H LEU 94 34.410 -3.928 11.587 706 HA LEU 94 HA LEU 94 32.464 -2.266 10.090 707 HB2 LEU 94 1HB LEU 94 32.536 -2.887 13.055 708 HB3 LEU 94 2HB LEU 94 31.921 -1.343 12.484 709 HG LEU 94 HG LEU 94 30.762 -4.053 11.780 710 HD11 LEU 94 1HD1 LEU 94 29.722 -1.774 13.479 711 HD12 LEU 94 2HD1 LEU 94 30.418 -3.288 14.111 712 HD13 LEU 94 3HD1 LEU 94 28.910 -3.330 13.174 713 HD21 LEU 94 1HD2 LEU 94 29.829 -1.238 11.083 714 HD22 LEU 94 2HD2 LEU 94 28.894 -2.724 10.819 715 HD23 LEU 94 3HD2 LEU 94 30.402 -2.474 9.938 716 HA PRO 95 HA PRO 95 35.749 0.688 10.619 717 HB2 PRO 95 1HB PRO 95 34.464 3.014 10.122 718 HB3 PRO 95 2HB PRO 95 34.566 1.749 8.859 719 HG2 PRO 95 1HG PRO 95 32.326 2.317 10.799 720 HG3 PRO 95 2HG PRO 95 32.253 2.151 9.015 721 HD2 PRO 95 1HD PRO 95 31.698 0.077 10.720 722 HD3 PRO 95 2HD PRO 95 32.434 -0.179 9.114 723 H GLU 96 H GLU 96 36.162 2.913 11.759 724 HA GLU 96 HA GLU 96 35.301 2.647 14.557 725 HB2 GLU 96 1HB GLU 96 37.297 4.475 13.181 726 HB3 GLU 96 2HB GLU 96 36.998 4.454 14.925 727 HG2 GLU 96 1HG GLU 96 37.723 2.104 15.040 728 HG3 GLU 96 2HG GLU 96 38.029 2.105 13.295 729 H GLY 97 H GLY 97 33.753 3.771 12.089 730 HA2 GLY 97 1HA GLY 97 31.728 5.055 12.380 731 HA3 GLY 97 2HA GLY 97 32.552 6.045 13.591 732 H GLU 98 H GLU 98 31.238 7.495 11.879 733 HA GLU 98 HA GLU 98 33.326 8.644 10.090 734 HB2 GLU 98 1HB GLU 98 30.423 8.092 9.340 735 HB3 GLU 98 2HB GLU 98 31.510 9.155 8.434 736 HG2 GLU 98 1HG GLU 98 33.048 7.123 8.216 737 HG3 GLU 98 2HG GLU 98 31.638 6.164 8.710 738 H VAL 99 H VAL 99 32.714 10.878 9.456 739 HA VAL 99 HA VAL 99 30.954 12.234 11.437 740 HB VAL 99 HB VAL 99 32.531 14.180 11.383 741 HG11 VAL 99 1HG1 VAL 99 34.204 13.197 12.948 742 HG12 VAL 99 2HG1 VAL 99 32.607 12.492 13.258 743 HG13 VAL 99 3HG1 VAL 99 33.831 11.562 12.374 744 HG21 VAL 99 1HG2 VAL 99 34.846 13.906 10.546 745 HG22 VAL 99 2HG2 VAL 99 34.503 12.268 9.976 746 HG23 VAL 99 3HG2 VAL 99 33.710 13.664 9.220 747 HXT VAL 99 H02 VAL 99 30.673 13.111 7.725 Start of MODEL 18 1 H2 GLY 1 2H0 GLY 1 2.380 3.782 2.086 2 H GLY 1 1H0 GLY 1 3.822 3.015 2.001 3 HA2 GLY 1 1HA GLY 1 3.322 3.659 -0.227 4 HA3 GLY 1 2HA GLY 1 2.911 5.303 0.328 5 H SER 2 H SER 2 5.294 4.653 2.178 6 HA SER 2 HA SER 2 7.273 6.120 0.554 7 HB2 SER 2 1HB SER 2 8.516 6.019 2.836 8 HB3 SER 2 2HB SER 2 7.035 6.993 2.712 9 HG SER 2 HG SER 2 7.219 5.473 4.558 10 H MET 3 H MET 3 7.137 3.821 -0.736 11 HA MET 3 HA MET 3 8.972 1.803 0.316 12 HB2 MET 3 1HB MET 3 7.937 2.270 -2.508 13 HB3 MET 3 2HB MET 3 8.906 0.889 -1.989 14 HG2 MET 3 1HG MET 3 6.808 -0.019 -1.907 15 HG3 MET 3 2HG MET 3 6.999 0.526 -0.235 16 HE1 MET 3 1HE MET 3 4.249 2.432 -3.463 17 HE2 MET 3 2HE MET 3 6.013 2.424 -3.679 18 HE3 MET 3 3HE MET 3 5.116 0.887 -3.623 19 H LYS 4 H LYS 4 10.730 3.150 0.910 20 HA LYS 4 HA LYS 4 12.336 4.245 -1.357 21 HB2 LYS 4 1HB LYS 4 11.604 5.568 0.804 22 HB3 LYS 4 2HB LYS 4 12.895 4.657 1.586 23 HG2 LYS 4 1HG LYS 4 13.764 6.809 0.964 24 HG3 LYS 4 2HG LYS 4 14.501 5.612 -0.114 25 HD2 LYS 4 1HD LYS 4 12.824 6.200 -1.865 26 HD3 LYS 4 2HD LYS 4 12.149 7.431 -0.777 27 HE2 LYS 4 1HE LYS 4 14.329 8.583 -0.733 28 HE3 LYS 4 2HE LYS 4 15.017 7.331 -1.791 29 HZ1 LYS 4 1HZ LYS 4 14.341 9.267 -3.056 30 HZ2 LYS 4 2HZ LYS 4 12.787 9.144 -2.513 31 HZ3 LYS 4 3HZ LYS 4 13.415 7.971 -3.489 32 H TYR 5 H TYR 5 11.915 1.431 0.008 33 HA TYR 5 HA TYR 5 14.798 0.714 0.128 34 HB2 TYR 5 1HB TYR 5 12.578 0.238 2.130 35 HB3 TYR 5 2HB TYR 5 13.993 -0.800 2.056 36 HD1 TYR 5 HD1 TYR 5 16.341 0.596 1.899 37 HD2 TYR 5 HD2 TYR 5 12.690 2.019 3.673 38 HE1 TYR 5 HE1 TYR 5 17.648 2.167 3.308 39 HE2 TYR 5 HE2 TYR 5 14.010 3.600 5.082 40 HH TYR 5 HH TYR 5 17.591 3.743 4.924 41 H LEU 6 H LEU 6 15.024 -1.713 0.219 42 HA LEU 6 HA LEU 6 13.790 -2.866 -2.106 43 HB2 LEU 6 1HB LEU 6 15.235 -4.227 0.197 44 HB3 LEU 6 2HB LEU 6 14.944 -4.909 -1.393 45 HG LEU 6 HG LEU 6 16.771 -2.571 -0.829 46 HD11 LEU 6 1HD1 LEU 6 17.387 -5.495 -1.422 47 HD12 LEU 6 2HD1 LEU 6 17.582 -4.684 0.152 48 HD13 LEU 6 3HD1 LEU 6 18.584 -4.191 -1.228 49 HD21 LEU 6 1HD2 LEU 6 17.590 -2.962 -3.125 50 HD22 LEU 6 2HD2 LEU 6 15.884 -2.484 -3.108 51 HD23 LEU 6 3HD2 LEU 6 16.322 -4.190 -3.361 52 H ASN 7 H ASN 7 13.251 -3.208 1.390 53 HA ASN 7 HA ASN 7 11.597 -4.170 2.629 54 HB2 ASN 7 1HB ASN 7 9.948 -3.343 0.212 55 HB3 ASN 7 2HB ASN 7 9.265 -3.869 1.757 56 HD21 ASN 7 1HD2 ASN 7 10.454 -0.949 3.525 57 HD22 ASN 7 2HD2 ASN 7 10.426 -2.685 3.696 58 H VAL 8 H VAL 8 13.057 -6.171 1.705 59 HA VAL 8 HA VAL 8 11.134 -8.190 0.624 60 HB VAL 8 HB VAL 8 12.828 -9.143 -0.606 61 HG11 VAL 8 1HG1 VAL 8 12.983 -6.694 -1.128 62 HG12 VAL 8 2HG1 VAL 8 14.348 -6.588 0.025 63 HG13 VAL 8 3HG1 VAL 8 14.478 -7.598 -1.437 64 HG21 VAL 8 1HG2 VAL 8 15.284 -9.144 0.186 65 HG22 VAL 8 2HG2 VAL 8 14.645 -8.589 1.737 66 HG23 VAL 8 3HG2 VAL 8 14.127 -10.144 1.079 67 H LEU 9 H LEU 9 11.488 -10.439 1.568 68 HA LEU 9 HA LEU 9 12.036 -10.178 4.492 69 HB2 LEU 9 1HB LEU 9 10.607 -12.361 2.947 70 HB3 LEU 9 2HB LEU 9 10.851 -12.332 4.688 71 HG LEU 9 HG LEU 9 9.184 -10.347 3.101 72 HD11 LEU 9 1HD1 LEU 9 7.275 -11.440 4.196 73 HD12 LEU 9 2HD1 LEU 9 8.375 -12.590 4.996 74 HD13 LEU 9 3HD1 LEU 9 8.200 -12.602 3.223 75 HD21 LEU 9 1HD2 LEU 9 10.108 -9.245 5.073 76 HD22 LEU 9 2HD2 LEU 9 9.635 -10.617 6.103 77 HD23 LEU 9 3HD2 LEU 9 8.395 -9.594 5.349 78 H ALA 10 H ALA 10 13.569 -11.387 5.515 79 HA ALA 10 HA ALA 10 15.104 -13.355 3.866 80 HB1 ALA 10 1HB ALA 10 17.206 -12.448 4.724 81 HB2 ALA 10 2HB ALA 10 16.304 -11.205 3.835 82 HB3 ALA 10 3HB ALA 10 16.318 -11.186 5.613 83 H LYS 11 H LYS 11 16.012 -15.061 5.047 84 HA LYS 11 HA LYS 11 14.979 -15.320 7.850 85 HB2 LYS 11 1HB LYS 11 14.162 -17.036 6.343 86 HB3 LYS 11 2HB LYS 11 15.792 -17.412 5.794 87 HG2 LYS 11 1HG LYS 11 16.378 -18.403 7.867 88 HG3 LYS 11 2HG LYS 11 14.982 -17.711 8.703 89 HD2 LYS 11 1HD LYS 11 14.687 -19.729 6.464 90 HD3 LYS 11 2HD LYS 11 14.912 -20.197 8.163 91 HE2 LYS 11 1HE LYS 11 12.943 -18.696 8.731 92 HE3 LYS 11 2HE LYS 11 12.640 -18.570 6.990 93 HZ1 LYS 11 1HZ LYS 11 11.304 -20.291 8.011 94 HZ2 LYS 11 2HZ LYS 11 12.641 -21.079 8.560 95 HZ3 LYS 11 3HZ LYS 11 12.355 -20.976 6.938 96 H ALA 12 H ALA 12 16.312 -15.712 9.500 97 HA ALA 12 HA ALA 12 19.198 -15.453 9.178 98 HB1 ALA 12 1HB ALA 12 19.152 -15.859 11.624 99 HB2 ALA 12 2HB ALA 12 18.007 -14.601 11.138 100 HB3 ALA 12 3HB ALA 12 17.420 -16.229 11.524 101 H LEU 13 H LEU 13 20.612 -17.093 8.656 102 HA LEU 13 HA LEU 13 19.635 -19.897 8.772 103 HB2 LEU 13 1HB LEU 13 22.325 -18.749 8.013 104 HB3 LEU 13 2HB LEU 13 21.883 -20.433 7.906 105 HG LEU 13 HG LEU 13 21.727 -19.920 5.762 106 HD11 LEU 13 1HD1 LEU 13 19.394 -20.513 6.442 107 HD12 LEU 13 2HD1 LEU 13 19.487 -19.525 4.976 108 HD13 LEU 13 3HD1 LEU 13 19.019 -18.772 6.511 109 HD21 LEU 13 1HD2 LEU 13 21.442 -17.758 4.828 110 HD22 LEU 13 2HD2 LEU 13 22.519 -17.613 6.212 111 HD23 LEU 13 3HD2 LEU 13 20.817 -17.121 6.366 112 H TYR 14 H TYR 14 21.363 -17.617 10.644 113 HA TYR 14 HA TYR 14 22.110 -19.689 12.630 114 HB2 TYR 14 1HB TYR 14 23.975 -17.481 11.680 115 HB3 TYR 14 2HB TYR 14 24.324 -18.722 12.885 116 HD1 TYR 14 HD1 TYR 14 24.691 -21.109 12.152 117 HD2 TYR 14 HD2 TYR 14 24.133 -17.937 9.305 118 HE1 TYR 14 HE1 TYR 14 25.582 -22.558 10.346 119 HE2 TYR 14 HE2 TYR 14 24.995 -19.416 7.489 120 HH TYR 14 HH TYR 14 26.082 -22.759 8.143 121 H ASP 15 H ASP 15 22.493 -18.508 14.760 122 HA ASP 15 HA ASP 15 20.635 -16.238 14.983 123 HB2 ASP 15 1HB ASP 15 21.203 -16.372 17.383 124 HB3 ASP 15 2HB ASP 15 20.707 -17.948 16.746 125 H ASN 16 H ASN 16 21.449 -14.303 16.292 126 HA ASN 16 HA ASN 16 24.285 -13.662 15.749 127 HB2 ASN 16 1HB ASN 16 22.861 -12.902 13.763 128 HB3 ASN 16 2HB ASN 16 22.079 -11.772 14.876 129 HD21 ASN 16 1HD2 ASN 16 24.596 -9.412 14.419 130 HD22 ASN 16 2HD2 ASN 16 22.897 -9.780 14.686 131 H VAL 17 H VAL 17 25.137 -12.395 17.292 132 HA VAL 17 HA VAL 17 23.282 -11.272 19.337 133 HB VAL 17 HB VAL 17 26.216 -12.103 19.600 134 HG11 VAL 17 1HG1 VAL 17 24.268 -10.973 21.666 135 HG12 VAL 17 2HG1 VAL 17 25.897 -11.591 22.018 136 HG13 VAL 17 3HG1 VAL 17 25.702 -10.147 21.008 137 HG21 VAL 17 1HG2 VAL 17 24.719 -14.064 19.514 138 HG22 VAL 17 2HG2 VAL 17 25.343 -13.840 21.161 139 HG23 VAL 17 3HG2 VAL 17 23.679 -13.347 20.766 140 H ALA 18 H ALA 18 23.205 -9.156 19.326 141 HA ALA 18 HA ALA 18 24.718 -7.659 17.365 142 HB1 ALA 18 1HB ALA 18 22.761 -6.796 19.534 143 HB2 ALA 18 2HB ALA 18 23.396 -5.745 18.252 144 HB3 ALA 18 3HB ALA 18 22.368 -7.135 17.828 145 H GLU 19 H GLU 19 26.634 -6.733 17.675 146 HA GLU 19 HA GLU 19 27.637 -6.472 20.494 147 HB2 GLU 19 1HB GLU 19 29.079 -6.664 17.823 148 HB3 GLU 19 2HB GLU 19 29.878 -6.413 19.385 149 HG2 GLU 19 1HG GLU 19 28.993 -8.546 20.194 150 HG3 GLU 19 2HG GLU 19 28.180 -8.818 18.652 151 H SER 20 H SER 20 26.789 -4.796 17.579 152 HA SER 20 HA SER 20 27.897 -2.239 18.685 153 HB2 SER 20 1HB SER 20 26.981 -2.977 15.875 154 HB3 SER 20 2HB SER 20 27.628 -1.397 16.375 155 HG SER 20 HG SER 20 29.526 -2.629 17.090 156 HA PRO 21 HA PRO 21 23.838 -1.017 19.628 157 HB2 PRO 21 1HB PRO 21 23.880 1.698 19.230 158 HB3 PRO 21 2HB PRO 21 24.781 0.895 20.559 159 HG2 PRO 21 1HG PRO 21 25.788 1.747 17.851 160 HG3 PRO 21 2HG PRO 21 26.487 2.064 19.469 161 HD2 PRO 21 1HD PRO 21 27.409 0.102 17.942 162 HD3 PRO 21 2HD PRO 21 27.260 -0.090 19.724 163 H ASP 22 H ASP 22 25.047 -0.534 16.408 164 HA ASP 22 HA ASP 22 22.426 0.290 15.374 165 HB2 ASP 22 1HB ASP 22 25.112 0.693 14.607 166 HB3 ASP 22 2HB ASP 22 24.473 -0.435 13.417 167 H GLU 23 H GLU 23 23.872 -2.596 16.303 168 HA GLU 23 HA GLU 23 23.044 -4.092 13.906 169 HB2 GLU 23 1HB GLU 23 25.291 -4.348 15.006 170 HB3 GLU 23 2HB GLU 23 24.471 -5.066 16.393 171 HG2 GLU 23 1HG GLU 23 23.621 -6.871 14.950 172 HG3 GLU 23 2HG GLU 23 24.421 -6.134 13.559 173 H LEU 24 H LEU 24 21.651 -5.850 13.899 174 HA LEU 24 HA LEU 24 19.686 -5.897 16.145 175 HB2 LEU 24 1HB LEU 24 19.635 -7.085 13.363 176 HB3 LEU 24 2HB LEU 24 18.412 -7.418 14.579 177 HG LEU 24 HG LEU 24 19.037 -4.692 13.406 178 HD11 LEU 24 1HD1 LEU 24 16.781 -6.660 12.927 179 HD12 LEU 24 2HD1 LEU 24 17.979 -6.073 11.755 180 HD13 LEU 24 3HD1 LEU 24 16.753 -4.965 12.398 181 HD21 LEU 24 1HD2 LEU 24 16.898 -4.045 14.567 182 HD22 LEU 24 2HD2 LEU 24 18.249 -4.405 15.659 183 HD23 LEU 24 3HD2 LEU 24 16.950 -5.607 15.420 184 H SER 25 H SER 25 19.167 -7.687 17.284 185 HA SER 25 HA SER 25 20.983 -10.030 16.980 186 HB2 SER 25 1HB SER 25 21.244 -8.822 19.143 187 HB3 SER 25 2HB SER 25 19.516 -9.047 19.463 188 HG SER 25 HG SER 25 21.170 -11.271 18.875 189 H PHE 26 H PHE 26 20.056 -11.893 16.561 190 HA PHE 26 HA PHE 26 17.190 -12.360 17.073 191 HB2 PHE 26 1HB PHE 26 16.775 -13.018 14.693 192 HB3 PHE 26 2HB PHE 26 16.984 -11.295 14.964 193 HD1 PHE 26 HD1 PHE 26 18.962 -14.324 13.900 194 HD2 PHE 26 HD2 PHE 26 18.414 -10.065 13.656 195 HE1 PHE 26 HE1 PHE 26 20.654 -14.210 12.075 196 HE2 PHE 26 HE2 PHE 26 20.067 -9.951 11.850 197 HZ PHE 26 HZ PHE 26 21.170 -12.032 10.993 198 H ARG 27 H ARG 27 16.517 -14.574 16.197 199 HA ARG 27 HA ARG 27 18.687 -16.485 16.935 200 HB2 ARG 27 1HB ARG 27 16.460 -16.268 18.205 201 HB3 ARG 27 2HB ARG 27 15.680 -16.909 16.757 202 HG2 ARG 27 1HG ARG 27 15.923 -18.717 18.242 203 HG3 ARG 27 2HG ARG 27 17.163 -18.954 17.007 204 HD2 ARG 27 1HD ARG 27 18.846 -17.925 18.534 205 HD3 ARG 27 2HD ARG 27 17.595 -17.752 19.773 206 HE ARG 27 HE ARG 27 19.008 -20.185 18.983 207 HH11 ARG 27 1HH1 ARG 27 16.139 -18.954 20.640 208 HH12 ARG 27 2HH1 ARG 27 15.936 -20.412 21.570 209 HH21 ARG 27 1HH2 ARG 27 18.674 -22.019 20.187 210 HH22 ARG 27 2HH2 ARG 27 17.337 -22.124 21.298 211 H LYS 28 H LYS 28 18.883 -18.439 15.692 212 HA LYS 28 HA LYS 28 18.706 -18.245 12.858 213 HB2 LYS 28 1HB LYS 28 20.140 -19.885 13.991 214 HB3 LYS 28 2HB LYS 28 18.738 -20.640 14.755 215 HG2 LYS 28 1HG LYS 28 17.933 -21.447 12.621 216 HG3 LYS 28 2HG LYS 28 19.219 -20.591 11.768 217 HD2 LYS 28 1HD LYS 28 20.913 -21.954 12.925 218 HD3 LYS 28 2HD LYS 28 19.630 -22.805 13.814 219 HE2 LYS 28 1HE LYS 28 18.724 -23.665 11.685 220 HE3 LYS 28 2HE LYS 28 19.980 -22.777 10.792 221 HZ1 LYS 28 1HZ LYS 28 20.629 -25.063 11.110 222 HZ2 LYS 28 2HZ LYS 28 20.494 -24.933 12.750 223 HZ3 LYS 28 3HZ LYS 28 21.650 -24.078 11.936 224 H GLY 29 H GLY 29 17.082 -18.532 11.469 225 HA2 GLY 29 1HA GLY 29 15.101 -19.591 10.717 226 HA3 GLY 29 2HA GLY 29 14.615 -19.902 12.384 227 H ASP 30 H ASP 30 15.517 -16.839 12.752 228 HA ASP 30 HA ASP 30 12.801 -15.879 12.697 229 HB2 ASP 30 1HB ASP 30 15.492 -14.553 13.172 230 HB3 ASP 30 2HB ASP 30 13.983 -13.640 13.171 231 H ILE 31 H ILE 31 12.000 -14.046 11.552 232 HA ILE 31 HA ILE 31 13.231 -13.713 8.846 233 HB ILE 31 HB ILE 31 10.287 -13.474 9.648 234 HG12 ILE 31 1HG1 ILE 31 10.913 -15.812 9.571 235 HG13 ILE 31 2HG1 ILE 31 9.946 -15.416 8.157 236 HG21 ILE 31 1HG2 ILE 31 11.716 -13.046 6.976 237 HG22 ILE 31 2HG2 ILE 31 9.953 -13.282 7.115 238 HG23 ILE 31 3HG2 ILE 31 10.723 -11.881 7.883 239 HD11 ILE 31 1HD1 ILE 31 12.238 -15.156 6.918 240 HD12 ILE 31 2HD1 ILE 31 12.876 -16.064 8.315 241 HD13 ILE 31 3HD1 ILE 31 11.609 -16.770 7.289 242 H MET 32 H MET 32 13.839 -11.692 8.335 243 HA MET 32 HA MET 32 12.611 -9.434 9.863 244 HB2 MET 32 1HB MET 32 14.801 -8.270 9.726 245 HB3 MET 32 2HB MET 32 14.824 -9.696 10.745 246 HG2 MET 32 1HG MET 32 15.637 -10.770 8.378 247 HG3 MET 32 2HG MET 32 16.299 -9.141 8.270 248 HE1 MET 32 1HE MET 32 15.598 -11.680 11.362 249 HE2 MET 32 2HE MET 32 16.301 -12.625 10.030 250 HE3 MET 32 3HE MET 32 17.237 -12.347 11.513 251 H THR 33 H THR 33 12.630 -7.438 8.739 252 HA THR 33 HA THR 33 12.164 -7.865 5.821 253 HB THR 33 HB THR 33 11.675 -5.437 7.612 254 HG1 THR 33 HG1 THR 33 10.304 -7.260 7.986 255 HG21 THR 33 1HG2 THR 33 12.003 -4.685 5.338 256 HG22 THR 33 2HG2 THR 33 10.260 -4.679 5.684 257 HG23 THR 33 3HG2 THR 33 10.962 -5.992 4.706 258 H VAL 34 H VAL 34 13.884 -7.568 4.495 259 HA VAL 34 HA VAL 34 16.180 -5.978 5.402 260 HB VAL 34 HB VAL 34 15.691 -7.225 2.698 261 HG11 VAL 34 1HG1 VAL 34 18.181 -7.116 2.512 262 HG12 VAL 34 2HG1 VAL 34 17.423 -5.516 2.602 263 HG13 VAL 34 3HG1 VAL 34 18.227 -6.199 4.037 264 HG21 VAL 34 1HG2 VAL 34 17.009 -8.310 5.193 265 HG22 VAL 34 2HG2 VAL 34 15.618 -8.979 4.303 266 HG23 VAL 34 3HG2 VAL 34 17.230 -9.005 3.581 267 H LEU 35 H LEU 35 16.433 -3.917 5.073 268 HA LEU 35 HA LEU 35 14.477 -2.528 3.334 269 HB2 LEU 35 1HB LEU 35 16.483 -1.543 5.384 270 HB3 LEU 35 2HB LEU 35 15.324 -0.529 4.535 271 HG LEU 35 HG LEU 35 14.557 -2.826 6.373 272 HD11 LEU 35 1HD1 LEU 35 13.907 -0.985 7.916 273 HD12 LEU 35 2HD1 LEU 35 14.774 0.144 6.849 274 HD13 LEU 35 3HD1 LEU 35 15.650 -1.176 7.662 275 HD21 LEU 35 1HD2 LEU 35 12.324 -1.745 6.337 276 HD22 LEU 35 2HD2 LEU 35 12.816 -2.326 4.736 277 HD23 LEU 35 3HD2 LEU 35 12.917 -0.589 5.119 278 H GLU 36 H GLU 36 18.031 -2.715 3.979 279 HA GLU 36 HA GLU 36 18.403 -2.536 1.068 280 HB2 GLU 36 1HB GLU 36 19.715 -0.641 0.963 281 HB3 GLU 36 2HB GLU 36 18.402 -0.151 2.016 282 HG2 GLU 36 1HG GLU 36 19.883 -0.592 3.913 283 HG3 GLU 36 2HG GLU 36 21.189 -0.836 2.757 284 H ARG 37 H ARG 37 20.893 -2.708 0.609 285 HA ARG 37 HA ARG 37 22.109 -4.503 2.668 286 HB2 ARG 37 1HB ARG 37 22.314 -4.713 -0.348 287 HB3 ARG 37 2HB ARG 37 23.120 -5.748 0.829 288 HG2 ARG 37 1HG ARG 37 20.836 -6.510 1.593 289 HG3 ARG 37 2HG ARG 37 20.166 -5.620 0.221 290 HD2 ARG 37 1HD ARG 37 22.128 -7.939 0.099 291 HD3 ARG 37 2HD ARG 37 20.443 -7.954 -0.429 292 HE ARG 37 HE ARG 37 21.031 -6.645 -2.334 293 HH11 ARG 37 1HH1 ARG 37 23.897 -7.408 -0.410 294 HH12 ARG 37 2HH1 ARG 37 24.990 -6.845 -1.646 295 HH21 ARG 37 1HH2 ARG 37 22.507 -6.020 -3.892 296 HH22 ARG 37 2HH2 ARG 37 24.219 -6.131 -3.576 297 H ASP 38 H ASP 38 24.362 -4.299 2.816 298 HA ASP 38 HA ASP 38 26.346 -3.253 2.826 299 HB2 ASP 38 1HB ASP 38 25.732 -2.449 -0.028 300 HB3 ASP 38 2HB ASP 38 27.323 -2.695 0.711 301 H THR 39 H THR 39 24.179 -2.019 3.874 302 HA THR 39 HA THR 39 23.724 0.691 3.133 303 HB THR 39 HB THR 39 22.159 -0.598 4.522 304 HG1 THR 39 HG1 THR 39 21.782 1.456 4.983 305 HG21 THR 39 1HG2 THR 39 24.302 -0.575 6.618 306 HG22 THR 39 2HG2 THR 39 23.617 -1.983 5.770 307 HG23 THR 39 3HG2 THR 39 22.604 -1.027 6.862 308 H GLN 40 H GLN 40 24.440 2.610 4.012 309 HA GLN 40 HA GLN 40 25.968 4.110 4.746 310 HB2 GLN 40 1HB GLN 40 26.744 2.185 6.924 311 HB3 GLN 40 2HB GLN 40 26.776 3.944 6.949 312 HG2 GLN 40 1HG GLN 40 24.230 3.795 6.661 313 HG3 GLN 40 2HG GLN 40 24.404 2.089 7.074 314 HE21 GLN 40 1HE2 GLN 40 24.453 2.670 10.492 315 HE22 GLN 40 2HE2 GLN 40 24.216 1.585 9.145 316 H GLY 41 H GLY 41 26.917 1.631 3.053 317 HA2 GLY 41 1HA GLY 41 28.923 1.340 1.889 318 HA3 GLY 41 2HA GLY 41 29.724 2.496 2.974 319 H LEU 42 H LEU 42 27.867 0.171 4.667 320 HA LEU 42 HA LEU 42 30.320 -1.155 5.599 321 HB2 LEU 42 1HB LEU 42 27.418 -1.459 6.405 322 HB3 LEU 42 2HB LEU 42 28.805 -2.127 7.256 323 HG LEU 42 HG LEU 42 28.345 0.847 6.904 324 HD11 LEU 42 1HD1 LEU 42 27.484 0.783 9.206 325 HD12 LEU 42 2HD1 LEU 42 27.571 -0.995 9.179 326 HD13 LEU 42 3HD1 LEU 42 26.469 -0.131 8.072 327 HD21 LEU 42 1HD2 LEU 42 30.061 -0.779 8.807 328 HD22 LEU 42 2HD2 LEU 42 29.861 0.983 8.850 329 HD23 LEU 42 3HD2 LEU 42 30.645 0.217 7.451 330 H ASP 43 H ASP 43 30.848 -2.314 3.709 331 HA ASP 43 HA ASP 43 28.991 -3.782 2.158 332 HB2 ASP 43 1HB ASP 43 31.669 -3.289 1.977 333 HB3 ASP 43 2HB ASP 43 31.655 -5.002 2.458 334 H GLY 44 H GLY 44 28.049 -5.726 2.336 335 HA2 GLY 44 1HA GLY 44 27.781 -7.891 3.145 336 HA3 GLY 44 2HA GLY 44 29.087 -7.654 4.303 337 H TRP 45 H TRP 45 27.531 -4.972 5.071 338 HA TRP 45 HA TRP 45 25.834 -6.320 7.090 339 HB2 TRP 45 1HB TRP 45 26.972 -3.566 6.663 340 HB3 TRP 45 2HB TRP 45 25.737 -3.833 7.853 341 HD1 TRP 45 HD1 TRP 45 29.424 -4.025 7.397 342 HE1 TRP 45 HE1 TRP 45 30.591 -5.013 9.429 343 HE3 TRP 45 HE3 TRP 45 25.277 -5.847 9.710 344 HZ2 TRP 45 HZ2 TRP 45 29.794 -6.529 11.743 345 HZ3 TRP 45 HZ3 TRP 45 25.526 -7.052 11.869 346 HH2 TRP 45 HH2 TRP 45 27.759 -7.404 12.859 347 H TRP 46 H TRP 46 23.648 -6.326 6.922 348 HA TRP 46 HA TRP 46 22.475 -4.673 4.710 349 HB2 TRP 46 1HB TRP 46 21.624 -7.373 5.816 350 HB3 TRP 46 2HB TRP 46 20.754 -6.463 4.575 351 HD1 TRP 46 HD1 TRP 46 24.196 -5.909 3.599 352 HE1 TRP 46 HE1 TRP 46 25.076 -7.510 1.862 353 HE3 TRP 46 HE3 TRP 46 20.565 -9.484 4.092 354 HZ2 TRP 46 HZ2 TRP 46 24.314 -10.075 0.812 355 HZ3 TRP 46 HZ3 TRP 46 20.738 -11.545 2.709 356 HH2 TRP 46 HH2 TRP 46 22.559 -11.814 1.055 357 H LEU 47 H LEU 47 20.957 -3.233 5.223 358 HA LEU 47 HA LEU 47 20.235 -2.846 8.025 359 HB2 LEU 47 1HB LEU 47 20.527 -0.961 6.429 360 HB3 LEU 47 2HB LEU 47 19.204 -1.593 5.459 361 HG LEU 47 HG LEU 47 17.638 -1.140 7.266 362 HD11 LEU 47 1HD1 LEU 47 20.046 -0.048 8.733 363 HD12 LEU 47 2HD1 LEU 47 18.981 -1.387 9.231 364 HD13 LEU 47 3HD1 LEU 47 18.359 0.268 9.193 365 HD21 LEU 47 1HD2 LEU 47 18.088 0.566 5.549 366 HD22 LEU 47 2HD2 LEU 47 19.371 1.253 6.568 367 HD23 LEU 47 3HD2 LEU 47 17.674 1.308 7.108 368 H CYS 48 H CYS 48 18.644 -3.925 9.026 369 HA CYS 48 HA CYS 48 16.272 -4.664 7.386 370 HB2 CYS 48 1HB CYS 48 17.456 -6.526 9.472 371 HB3 CYS 48 2HB CYS 48 16.170 -6.858 8.321 372 HG CYS 48 HG CYS 48 19.358 -6.242 7.689 373 H SER 49 H SER 49 14.455 -5.364 8.791 374 HA SER 49 HA SER 49 14.463 -3.847 11.366 375 HB2 SER 49 1HB SER 49 12.732 -2.601 10.700 376 HB3 SER 49 2HB SER 49 13.088 -3.135 9.064 377 HG SER 49 HG SER 49 11.695 -5.032 9.708 378 H LEU 50 H LEU 50 13.890 -5.005 13.054 379 HA LEU 50 HA LEU 50 12.241 -7.464 12.753 380 HB2 LEU 50 1HB LEU 50 14.628 -8.139 12.462 381 HB3 LEU 50 2HB LEU 50 15.012 -7.344 13.985 382 HG LEU 50 HG LEU 50 12.995 -9.121 14.684 383 HD11 LEU 50 1HD1 LEU 50 13.567 -11.239 13.816 384 HD12 LEU 50 2HD1 LEU 50 14.926 -10.550 12.897 385 HD13 LEU 50 3HD1 LEU 50 13.250 -10.147 12.442 386 HD21 LEU 50 1HD2 LEU 50 16.010 -9.355 14.818 387 HD22 LEU 50 2HD2 LEU 50 14.868 -10.323 15.781 388 HD23 LEU 50 3HD2 LEU 50 14.947 -8.563 16.002 389 H HIS 51 H HIS 51 10.982 -7.728 14.586 390 HA HIS 51 HA HIS 51 9.935 -7.187 16.554 391 HB2 HIS 51 1HB HIS 51 12.752 -6.554 17.518 392 HB3 HIS 51 2HB HIS 51 11.340 -6.809 18.542 393 HD1 HIS 51 HD1 HIS 51 13.875 -8.617 18.804 394 HD2 HIS 51 HD2 HIS 51 10.522 -9.543 16.511 395 HE1 HIS 51 HE1 HIS 51 13.831 -11.132 18.539 396 H GLY 52 H GLY 52 10.259 -5.013 14.553 397 HA2 GLY 52 1HA GLY 52 9.577 -2.804 14.471 398 HA3 GLY 52 2HA GLY 52 9.347 -2.842 16.224 399 H ARG 53 H ARG 53 12.490 -3.832 15.244 400 HA ARG 53 HA ARG 53 13.582 -1.123 15.903 401 HB2 ARG 53 1HB ARG 53 13.782 -3.363 17.440 402 HB3 ARG 53 2HB ARG 53 15.146 -3.645 16.368 403 HG2 ARG 53 1HG ARG 53 14.809 -1.047 17.906 404 HG3 ARG 53 2HG ARG 53 15.576 -2.479 18.609 405 HD2 ARG 53 1HD ARG 53 17.120 -2.478 16.563 406 HD3 ARG 53 2HD ARG 53 16.525 -0.835 16.258 407 HE ARG 53 HE ARG 53 17.322 -0.995 18.964 408 HH11 ARG 53 1HH1 ARG 53 18.885 -1.041 15.772 409 HH12 ARG 53 2HH1 ARG 53 20.400 -0.473 16.446 410 HH21 ARG 53 1HH2 ARG 53 19.275 -0.250 19.681 411 HH22 ARG 53 2HH2 ARG 53 20.610 -0.036 18.567 412 H GLN 54 H GLN 54 15.168 -0.423 14.490 413 HA GLN 54 HA GLN 54 15.633 -2.133 12.093 414 HB2 GLN 54 1HB GLN 54 15.085 0.673 12.531 415 HB3 GLN 54 2HB GLN 54 16.640 0.478 11.706 416 HG2 GLN 54 1HG GLN 54 15.551 -0.855 9.986 417 HG3 GLN 54 2HG GLN 54 14.006 -0.714 10.841 418 HE21 GLN 54 1HE2 GLN 54 15.505 2.741 9.171 419 HE22 GLN 54 2HE2 GLN 54 16.592 1.624 9.960 420 H GLY 55 H GLY 55 17.784 -2.437 11.334 421 HA2 GLY 55 1HA GLY 55 20.039 -1.133 12.411 422 HA3 GLY 55 2HA GLY 55 19.769 -2.585 13.385 423 H ILE 56 H ILE 56 22.115 -2.471 12.131 424 HA ILE 56 HA ILE 56 21.890 -3.710 9.467 425 HB ILE 56 HB ILE 56 24.355 -3.695 9.441 426 HG12 ILE 56 1HG1 ILE 56 24.088 -2.742 12.337 427 HG13 ILE 56 2HG1 ILE 56 24.693 -4.314 11.830 428 HG21 ILE 56 1HG2 ILE 56 22.923 -1.560 9.075 429 HG22 ILE 56 2HG2 ILE 56 23.451 -1.045 10.700 430 HG23 ILE 56 3HG2 ILE 56 24.648 -1.322 9.412 431 HD11 ILE 56 1HD1 ILE 56 25.978 -1.603 11.428 432 HD12 ILE 56 2HD1 ILE 56 26.559 -2.969 12.395 433 HD13 ILE 56 3HD1 ILE 56 26.543 -3.085 10.622 434 H VAL 57 H VAL 57 22.810 -5.723 8.942 435 HA VAL 57 HA VAL 57 22.943 -7.746 11.137 436 HB VAL 57 HB VAL 57 21.293 -7.912 8.606 437 HG11 VAL 57 1HG1 VAL 57 21.808 -9.993 10.651 438 HG12 VAL 57 2HG1 VAL 57 20.494 -10.081 9.468 439 HG13 VAL 57 3HG1 VAL 57 22.180 -10.049 8.917 440 HG21 VAL 57 1HG2 VAL 57 20.471 -7.767 11.501 441 HG22 VAL 57 2HG2 VAL 57 20.126 -6.571 10.233 442 HG23 VAL 57 3HG2 VAL 57 19.348 -8.168 10.178 443 HA PRO 58 HA PRO 58 26.251 -8.902 8.349 444 HB2 PRO 58 1HB PRO 58 26.869 -11.397 9.287 445 HB3 PRO 58 2HB PRO 58 27.293 -9.901 10.179 446 HG2 PRO 58 1HG PRO 58 24.962 -11.753 10.605 447 HG3 PRO 58 2HG PRO 58 26.094 -11.067 11.805 448 HD2 PRO 58 1HD PRO 58 23.629 -9.995 11.295 449 HD3 PRO 58 2HD PRO 58 25.027 -8.998 11.789 450 H GLY 59 H GLY 59 25.502 -9.208 6.297 451 HA2 GLY 59 1HA GLY 59 23.319 -10.856 5.578 452 HA3 GLY 59 2HA GLY 59 24.573 -10.255 4.482 453 H ASN 60 H ASN 60 26.631 -11.672 6.185 454 HA ASN 60 HA ASN 60 26.796 -14.094 4.688 455 HB2 ASN 60 1HB ASN 60 28.623 -12.680 5.901 456 HB3 ASN 60 2HB ASN 60 28.204 -13.639 7.328 457 HD21 ASN 60 1HD2 ASN 60 30.843 -15.643 6.093 458 HD22 ASN 60 2HD2 ASN 60 30.413 -14.379 7.229 459 H ARG 61 H ARG 61 24.953 -13.349 7.521 460 HA ARG 61 HA ARG 61 24.588 -16.282 8.063 461 HB2 ARG 61 1HB ARG 61 24.139 -13.874 9.872 462 HB3 ARG 61 2HB ARG 61 23.748 -15.545 10.290 463 HG2 ARG 61 1HG ARG 61 26.148 -16.140 10.025 464 HG3 ARG 61 2HG ARG 61 26.515 -14.418 9.773 465 HD2 ARG 61 1HD ARG 61 25.590 -13.883 11.980 466 HD3 ARG 61 2HD ARG 61 25.130 -15.578 12.206 467 HE ARG 61 HE ARG 61 27.941 -15.377 11.639 468 HH11 ARG 61 1HH1 ARG 61 25.632 -14.931 14.300 469 HH12 ARG 61 2HH1 ARG 61 26.871 -15.167 15.506 470 HH21 ARG 61 1HH2 ARG 61 29.416 -15.688 13.212 471 HH22 ARG 61 2HH2 ARG 61 28.980 -15.586 14.903 472 H LEU 62 H LEU 62 23.271 -14.054 6.184 473 HA LEU 62 HA LEU 62 20.473 -14.691 7.010 474 HB2 LEU 62 1HB LEU 62 21.529 -12.258 7.215 475 HB3 LEU 62 2HB LEU 62 21.149 -12.207 5.495 476 HG LEU 62 HG LEU 62 18.801 -12.723 6.041 477 HD11 LEU 62 1HD1 LEU 62 19.042 -13.777 8.159 478 HD12 LEU 62 2HD1 LEU 62 17.953 -12.399 8.249 479 HD13 LEU 62 3HD1 LEU 62 19.612 -12.262 8.878 480 HD21 LEU 62 1HD2 LEU 62 18.299 -10.452 6.936 481 HD22 LEU 62 2HD2 LEU 62 19.462 -10.468 5.596 482 HD23 LEU 62 3HD2 LEU 62 20.031 -10.258 7.268 483 H LYS 63 H LYS 63 18.988 -15.166 5.475 484 HA LYS 63 HA LYS 63 20.048 -15.354 2.682 485 HB2 LYS 63 1HB LYS 63 19.779 -17.572 3.655 486 HB3 LYS 63 2HB LYS 63 18.113 -17.217 4.096 487 HG2 LYS 63 1HG LYS 63 17.441 -17.126 1.777 488 HG3 LYS 63 2HG LYS 63 19.118 -17.199 1.222 489 HD2 LYS 63 1HD LYS 63 17.777 -19.433 2.791 490 HD3 LYS 63 2HD LYS 63 17.815 -19.352 1.014 491 HE2 LYS 63 1HE LYS 63 20.300 -19.213 1.111 492 HE3 LYS 63 2HE LYS 63 20.218 -19.434 2.865 493 HZ1 LYS 63 1HZ LYS 63 19.290 -21.398 0.854 494 HZ2 LYS 63 2HZ LYS 63 19.224 -21.603 2.489 495 HZ3 LYS 63 3HZ LYS 63 20.684 -21.507 1.729 496 H ILE 64 H ILE 64 19.113 -14.080 1.344 497 HA ILE 64 HA ILE 64 16.601 -12.772 1.889 498 HB ILE 64 HB ILE 64 18.120 -13.122 -0.738 499 HG12 ILE 64 1HG1 ILE 64 19.584 -12.125 0.910 500 HG13 ILE 64 2HG1 ILE 64 19.097 -10.924 -0.268 501 HG21 ILE 64 1HG2 ILE 64 16.023 -12.304 -1.356 502 HG22 ILE 64 2HG2 ILE 64 15.859 -11.331 0.124 503 HG23 ILE 64 3HG2 ILE 64 16.976 -10.821 -1.158 504 HD11 ILE 64 1HD1 ILE 64 18.255 -11.149 2.635 505 HD12 ILE 64 2HD1 ILE 64 19.030 -9.789 1.801 506 HD13 ILE 64 3HD1 ILE 64 17.328 -10.157 1.479 507 H LEU 65 H LEU 65 14.591 -13.554 1.542 508 HA LEU 65 HA LEU 65 14.416 -16.259 0.326 509 HB2 LEU 65 1HB LEU 65 12.337 -14.622 1.806 510 HB3 LEU 65 2HB LEU 65 12.186 -16.314 1.325 511 HG LEU 65 HG LEU 65 14.161 -15.201 3.345 512 HD11 LEU 65 1HD1 LEU 65 11.694 -16.945 3.671 513 HD12 LEU 65 2HD1 LEU 65 11.812 -15.215 4.078 514 HD13 LEU 65 3HD1 LEU 65 12.778 -16.394 4.967 515 HD21 LEU 65 1HD2 LEU 65 15.213 -17.110 2.252 516 HD22 LEU 65 2HD2 LEU 65 13.713 -18.064 2.377 517 HD23 LEU 65 3HD2 LEU 65 14.632 -17.636 3.837 518 H VAL 66 H VAL 66 14.655 -13.597 -1.096 519 HA VAL 66 HA VAL 66 14.111 -12.732 -3.098 520 HB VAL 66 HB VAL 66 12.362 -15.167 -3.638 521 HG11 VAL 66 1HG1 VAL 66 13.930 -13.319 -5.496 522 HG12 VAL 66 2HG1 VAL 66 12.967 -14.732 -5.991 523 HG13 VAL 66 3HG1 VAL 66 12.167 -13.318 -5.281 524 HG21 VAL 66 1HG2 VAL 66 15.386 -14.824 -3.956 525 HG22 VAL 66 2HG2 VAL 66 14.546 -15.995 -2.908 526 HG23 VAL 66 3HG2 VAL 66 14.441 -16.154 -4.668 527 H GLY 67 H GLY 67 11.118 -13.987 -1.522 528 HA2 GLY 67 1HA GLY 67 9.653 -12.007 -0.847 529 HA3 GLY 67 2HA GLY 67 9.760 -11.512 -2.544 530 H MET 68 H MET 68 7.867 -11.887 -3.493 531 HA MET 68 HA MET 68 6.033 -13.928 -2.577 532 HB2 MET 68 1HB MET 68 4.596 -13.096 -4.331 533 HB3 MET 68 2HB MET 68 5.360 -11.729 -3.517 534 HG2 MET 68 1HG MET 68 6.993 -11.523 -5.363 535 HG3 MET 68 2HG MET 68 6.248 -12.903 -6.187 536 HE1 MET 68 1HE MET 68 4.039 -12.868 -7.502 537 HE2 MET 68 2HE MET 68 3.127 -12.553 -6.006 538 HE3 MET 68 3HE MET 68 2.847 -11.549 -7.446 539 H TYR 69 H TYR 69 8.783 -14.460 -4.271 540 HA TYR 69 HA TYR 69 7.571 -16.118 -6.391 541 HB2 TYR 69 1HB TYR 69 10.440 -15.327 -5.806 542 HB3 TYR 69 2HB TYR 69 9.929 -16.332 -7.168 543 HD1 TYR 69 HD1 TYR 69 8.590 -15.352 -9.032 544 HD2 TYR 69 HD2 TYR 69 10.046 -12.896 -5.807 545 HE1 TYR 69 HE1 TYR 69 8.162 -13.300 -10.388 546 HE2 TYR 69 HE2 TYR 69 9.612 -10.855 -7.174 547 HH TYR 69 HH TYR 69 8.827 -10.023 -9.164 548 H ASP 70 H ASP 70 7.122 -18.157 -6.021 549 HA ASP 70 HA ASP 70 9.127 -19.835 -4.599 550 HB2 ASP 70 1HB ASP 70 7.265 -19.383 -2.989 551 HB3 ASP 70 2HB ASP 70 6.107 -19.983 -4.188 552 H LYS 71 H LYS 71 8.590 -22.192 -5.110 553 HA LYS 71 HA LYS 71 7.300 -22.493 -7.784 554 HB2 LYS 71 1HB LYS 71 10.078 -23.528 -7.095 555 HB3 LYS 71 2HB LYS 71 9.164 -23.919 -8.562 556 HG2 LYS 71 1HG LYS 71 9.089 -21.458 -9.075 557 HG3 LYS 71 2HG LYS 71 10.202 -21.195 -7.723 558 HD2 LYS 71 1HD LYS 71 11.832 -22.739 -8.834 559 HD3 LYS 71 2HD LYS 71 10.730 -22.825 -10.228 560 HE2 LYS 71 1HE LYS 71 12.062 -20.320 -9.106 561 HE3 LYS 71 2HE LYS 71 12.477 -21.139 -10.624 562 HZ1 LYS 71 1HZ LYS 71 11.060 -19.211 -11.008 563 HZ2 LYS 71 2HZ LYS 71 9.878 -19.823 -10.034 564 HZ3 LYS 71 3HZ LYS 71 10.255 -20.582 -11.449 565 H LYS 72 H LYS 72 8.233 -23.876 -4.663 566 HA LYS 72 HA LYS 72 6.191 -25.931 -4.982 567 HB2 LYS 72 1HB LYS 72 9.092 -26.601 -5.195 568 HB3 LYS 72 2HB LYS 72 8.168 -27.578 -4.062 569 HG2 LYS 72 1HG LYS 72 7.578 -28.874 -5.773 570 HG3 LYS 72 2HG LYS 72 6.556 -27.537 -6.327 571 HD2 LYS 72 1HD LYS 72 8.660 -26.646 -7.513 572 HD3 LYS 72 2HD LYS 72 9.367 -28.244 -7.206 573 HE2 LYS 72 1HE LYS 72 7.497 -29.312 -8.395 574 HE3 LYS 72 2HE LYS 72 6.723 -27.728 -8.628 575 HZ1 LYS 72 1HZ LYS 72 8.609 -27.062 -9.966 576 HZ2 LYS 72 2HZ LYS 72 7.929 -28.428 -10.595 577 HZ3 LYS 72 3HZ LYS 72 9.345 -28.522 -9.751 578 HA PRO 73 HA PRO 73 6.364 -25.015 -0.644 579 HB2 PRO 73 1HB PRO 73 4.559 -26.766 0.344 580 HB3 PRO 73 2HB PRO 73 4.068 -25.473 -0.797 581 HG2 PRO 73 1HG PRO 73 4.700 -28.358 -1.365 582 HG3 PRO 73 2HG PRO 73 3.262 -27.405 -1.849 583 HD2 PRO 73 1HD PRO 73 5.417 -27.804 -3.494 584 HD3 PRO 73 2HD PRO 73 4.432 -26.305 -3.554 585 H ALA 74 H ALA 74 7.997 -27.543 -1.934 586 HA ALA 74 HA ALA 74 9.061 -28.387 0.678 587 HB1 ALA 74 1HB ALA 74 8.919 -30.791 0.054 588 HB2 ALA 74 2HB ALA 74 7.300 -30.065 0.189 589 HB3 ALA 74 3HB ALA 74 8.016 -30.356 -1.416 590 H GLY 75 H GLY 75 11.184 -29.177 0.531 591 HA2 GLY 75 1HA GLY 75 12.592 -28.342 -1.936 592 HA3 GLY 75 2HA GLY 75 13.321 -28.679 -0.356 593 H SER 76 H SER 76 14.818 -29.856 -1.969 594 HA SER 76 HA SER 76 14.061 -32.715 -1.876 595 HB2 SER 76 1HB SER 76 15.064 -31.333 -4.403 596 HB3 SER 76 2HB SER 76 14.775 -33.075 -4.203 597 HG SER 76 HG SER 76 12.563 -31.871 -3.447 598 H GLY 77 H GLY 77 16.025 -34.080 -2.075 599 HA2 GLY 77 1HA GLY 77 18.335 -34.429 -2.041 600 HA3 GLY 77 2HA GLY 77 18.601 -32.682 -2.061 601 H GLY 78 H GLY 78 16.407 -33.071 0.342 602 HA2 GLY 78 1HA GLY 78 18.443 -32.754 2.392 603 HA3 GLY 78 2HA GLY 78 16.691 -32.673 2.602 604 H SER 79 H SER 79 18.934 -35.262 1.508 605 HA SER 79 HA SER 79 17.453 -37.243 3.093 606 HB2 SER 79 1HB SER 79 20.072 -37.456 1.548 607 HB3 SER 79 2HB SER 79 19.116 -38.814 2.180 608 HG SER 79 HG SER 79 18.675 -38.438 -0.025 609 H GLY 80 H GLY 80 18.387 -38.452 4.864 610 HA2 GLY 80 1HA GLY 80 19.955 -38.842 6.575 611 HA3 GLY 80 2HA GLY 80 20.950 -37.511 5.953 612 H SER 81 H SER 81 21.207 -36.634 8.075 613 HA SER 81 HA SER 81 18.942 -34.920 8.869 614 HB2 SER 81 1HB SER 81 20.299 -36.863 10.787 615 HB3 SER 81 2HB SER 81 19.137 -35.598 11.241 616 HG SER 81 HG SER 81 18.089 -37.041 9.254 617 H GLY 82 H GLY 82 19.688 -33.211 10.339 618 HA2 GLY 82 1HA GLY 82 22.537 -32.564 9.847 619 HA3 GLY 82 2HA GLY 82 21.275 -31.443 10.391 620 H LEU 83 H LEU 83 23.375 -31.125 11.855 621 HA LEU 83 HA LEU 83 22.968 -32.777 14.322 622 HB2 LEU 83 1HB LEU 83 25.467 -31.338 13.359 623 HB3 LEU 83 2HB LEU 83 25.310 -32.212 14.877 624 HG LEU 83 HG LEU 83 25.188 -33.483 12.121 625 HD11 LEU 83 1HD1 LEU 83 27.392 -33.444 14.224 626 HD12 LEU 83 2HD1 LEU 83 27.409 -32.565 12.678 627 HD13 LEU 83 3HD1 LEU 83 27.427 -34.340 12.687 628 HD21 LEU 83 1HD2 LEU 83 25.436 -35.614 13.388 629 HD22 LEU 83 2HD2 LEU 83 23.912 -34.789 13.757 630 HD23 LEU 83 3HD2 LEU 83 25.267 -34.712 14.914 631 H THR 84 H THR 84 23.407 -31.553 16.325 632 HA THR 84 HA THR 84 22.214 -28.899 16.310 633 HB THR 84 HB THR 84 23.850 -30.195 18.543 634 HG1 THR 84 HG1 THR 84 22.025 -31.299 19.123 635 HG21 THR 84 1HG2 THR 84 23.136 -27.861 18.936 636 HG22 THR 84 2HG2 THR 84 22.260 -28.979 20.001 637 HG23 THR 84 3HG2 THR 84 21.452 -28.309 18.566 638 H ASP 85 H ASP 85 25.365 -30.366 16.169 639 HA ASP 85 HA ASP 85 26.906 -28.039 16.871 640 HB2 ASP 85 1HB ASP 85 27.714 -30.575 15.406 641 HB3 ASP 85 2HB ASP 85 28.802 -29.443 16.226 642 H GLU 86 H GLU 86 26.232 -26.374 15.520 643 HA GLU 86 HA GLU 86 27.194 -26.578 12.703 644 HB2 GLU 86 1HB GLU 86 24.673 -26.766 12.894 645 HB3 GLU 86 2HB GLU 86 24.672 -25.164 13.634 646 HG2 GLU 86 1HG GLU 86 25.854 -24.347 11.518 647 HG3 GLU 86 2HG GLU 86 25.445 -25.919 10.811 648 H LEU 87 H LEU 87 28.897 -25.227 12.653 649 HA LEU 87 HA LEU 87 29.033 -22.976 14.534 650 HB2 LEU 87 1HB LEU 87 30.955 -23.925 12.382 651 HB3 LEU 87 2HB LEU 87 31.276 -22.616 13.521 652 HG LEU 87 HG LEU 87 30.818 -25.523 14.292 653 HD11 LEU 87 1HD1 LEU 87 33.379 -23.881 14.162 654 HD12 LEU 87 2HD1 LEU 87 32.915 -25.187 13.043 655 HD13 LEU 87 3HD1 LEU 87 33.233 -25.554 14.752 656 HD21 LEU 87 1HD2 LEU 87 31.712 -24.796 16.510 657 HD22 LEU 87 2HD2 LEU 87 30.162 -24.035 16.116 658 HD23 LEU 87 3HD2 LEU 87 31.673 -23.107 15.948 659 H ALA 88 H ALA 88 28.455 -20.973 14.114 660 HA ALA 88 HA ALA 88 27.379 -20.280 11.529 661 HB1 ALA 88 1HB ALA 88 27.949 -18.531 13.962 662 HB2 ALA 88 2HB ALA 88 26.905 -18.111 12.581 663 HB3 ALA 88 3HB ALA 88 26.443 -19.436 13.672 664 HA PRO 89 HA PRO 89 31.160 -18.683 9.886 665 HB2 PRO 89 1HB PRO 89 30.281 -17.088 7.872 666 HB3 PRO 89 2HB PRO 89 30.087 -18.863 7.817 667 HG2 PRO 89 1HG PRO 89 28.116 -16.767 8.680 668 HG3 PRO 89 2HG PRO 89 27.901 -18.090 7.491 669 HD2 PRO 89 1HD PRO 89 27.081 -18.326 10.056 670 HD3 PRO 89 2HD PRO 89 27.769 -19.722 9.159 671 HA PRO 90 HA PRO 90 31.853 -14.848 11.845 672 HB2 PRO 90 1HB PRO 90 33.781 -13.575 10.394 673 HB3 PRO 90 2HB PRO 90 34.104 -15.095 11.289 674 HG2 PRO 90 1HG PRO 90 33.423 -14.730 8.380 675 HG3 PRO 90 2HG PRO 90 34.785 -15.640 9.113 676 HD2 PRO 90 1HD PRO 90 32.512 -16.868 8.332 677 HD3 PRO 90 2HD PRO 90 33.378 -17.391 9.813 678 H LYS 91 H LYS 91 31.522 -12.556 11.854 679 HA LYS 91 HA LYS 91 29.712 -11.606 9.700 680 HB2 LYS 91 1HB LYS 91 29.283 -9.718 11.272 681 HB3 LYS 91 2HB LYS 91 28.878 -11.290 11.965 682 HG2 LYS 91 1HG LYS 91 30.882 -11.269 13.343 683 HG3 LYS 91 2HG LYS 91 31.474 -9.812 12.532 684 HD2 LYS 91 1HD LYS 91 30.591 -9.147 14.658 685 HD3 LYS 91 2HD LYS 91 29.492 -8.556 13.412 686 HE2 LYS 91 1HE LYS 91 27.908 -10.391 13.893 687 HE3 LYS 91 2HE LYS 91 29.055 -11.080 15.065 688 HZ1 LYS 91 1HZ LYS 91 27.678 -8.461 15.291 689 HZ2 LYS 91 2HZ LYS 91 28.864 -8.986 16.331 690 HZ3 LYS 91 3HZ LYS 91 27.421 -9.787 16.231 691 HA PRO 92 HA PRO 92 33.071 -9.161 8.129 692 HB2 PRO 92 1HB PRO 92 31.787 -6.974 7.066 693 HB3 PRO 92 2HB PRO 92 31.733 -8.597 6.309 694 HG2 PRO 92 1HG PRO 92 29.731 -7.270 8.068 695 HG3 PRO 92 2HG PRO 92 29.482 -8.152 6.545 696 HD2 PRO 92 1HD PRO 92 29.061 -9.243 8.992 697 HD3 PRO 92 2HD PRO 92 29.635 -10.210 7.589 698 HA PRO 93 HA PRO 93 33.933 -6.379 11.421 699 HB2 PRO 93 1HB PRO 93 35.822 -4.686 10.458 700 HB3 PRO 93 2HB PRO 93 36.128 -6.447 10.603 701 HG2 PRO 93 1HG PRO 93 35.239 -4.878 8.197 702 HG3 PRO 93 2HG PRO 93 36.618 -6.015 8.354 703 HD2 PRO 93 1HD PRO 93 34.226 -6.790 7.351 704 HD3 PRO 93 2HD PRO 93 35.218 -7.893 8.369 705 H LEU 94 H LEU 94 34.117 -4.008 12.107 706 HA LEU 94 HA LEU 94 32.349 -2.243 10.515 707 HB2 LEU 94 1HB LEU 94 32.081 -3.091 13.403 708 HB3 LEU 94 2HB LEU 94 31.488 -1.516 12.885 709 HG LEU 94 HG LEU 94 30.576 -4.179 11.760 710 HD11 LEU 94 1HD1 LEU 94 28.536 -3.761 12.923 711 HD12 LEU 94 2HD1 LEU 94 29.135 -2.185 13.494 712 HD13 LEU 94 3HD1 LEU 94 29.876 -3.697 14.083 713 HD21 LEU 94 1HD2 LEU 94 29.610 -1.338 11.252 714 HD22 LEU 94 2HD2 LEU 94 28.770 -2.810 10.725 715 HD23 LEU 94 3HD2 LEU 94 30.365 -2.442 10.075 716 HA PRO 95 HA PRO 95 35.336 0.865 11.613 717 HB2 PRO 95 1HB PRO 95 33.923 3.134 11.222 718 HB3 PRO 95 2HB PRO 95 34.254 2.012 9.865 719 HG2 PRO 95 1HG PRO 95 31.794 2.221 11.596 720 HG3 PRO 95 2HG PRO 95 31.909 2.231 9.807 721 HD2 PRO 95 1HD PRO 95 31.358 -0.039 11.228 722 HD3 PRO 95 2HD PRO 95 32.290 -0.069 9.704 723 H GLU 96 H GLU 96 35.676 2.811 12.983 724 HA GLU 96 HA GLU 96 34.646 2.372 15.694 725 HB2 GLU 96 1HB GLU 96 36.718 4.277 14.542 726 HB3 GLU 96 2HB GLU 96 36.368 4.114 16.264 727 HG2 GLU 96 1HG GLU 96 37.405 1.873 14.499 728 HG3 GLU 96 2HG GLU 96 38.404 2.903 15.534 729 H GLY 97 H GLY 97 32.691 3.595 13.711 730 HA2 GLY 97 1HA GLY 97 31.563 5.458 15.447 731 HA3 GLY 97 2HA GLY 97 32.575 6.406 14.370 732 H GLU 98 H GLU 98 29.867 6.749 14.744 733 HA GLU 98 HA GLU 98 28.483 5.688 12.345 734 HB2 GLU 98 1HB GLU 98 27.590 7.382 14.711 735 HB3 GLU 98 2HB GLU 98 26.514 6.805 13.430 736 HG2 GLU 98 1HG GLU 98 26.663 4.560 14.145 737 HG3 GLU 98 2HG GLU 98 28.136 4.854 15.080 738 H VAL 99 H VAL 99 30.572 7.336 11.622 739 HA VAL 99 HA VAL 99 29.174 9.817 10.735 740 HB VAL 99 HB VAL 99 30.591 10.270 12.762 741 HG11 VAL 99 1HG1 VAL 99 32.477 8.687 12.306 742 HG12 VAL 99 2HG1 VAL 99 32.983 9.675 10.926 743 HG13 VAL 99 3HG1 VAL 99 33.064 10.333 12.568 744 HG21 VAL 99 1HG2 VAL 99 31.616 12.348 11.887 745 HG22 VAL 99 2HG2 VAL 99 31.493 11.743 10.223 746 HG23 VAL 99 3HG2 VAL 99 30.026 12.086 11.156 747 HXT VAL 99 H02 VAL 99 31.504 7.959 8.346 Start of MODEL 19 1 H2 GLY 1 2H0 GLY 1 2.961 2.277 -1.361 2 H GLY 1 1H0 GLY 1 1.818 1.411 -0.572 3 HA2 GLY 1 1HA GLY 1 3.346 -0.301 0.068 4 HA3 GLY 1 2HA GLY 1 3.577 0.019 -1.671 5 H SER 2 H SER 2 4.444 2.385 0.383 6 HA SER 2 HA SER 2 6.356 3.356 1.239 7 HB2 SER 2 1HB SER 2 7.020 1.128 2.132 8 HB3 SER 2 2HB SER 2 7.841 0.788 0.596 9 HG SER 2 HG SER 2 9.457 1.677 1.604 10 H MET 3 H MET 3 8.046 4.583 0.498 11 HA MET 3 HA MET 3 8.680 4.360 -2.429 12 HB2 MET 3 1HB MET 3 8.247 6.828 -0.700 13 HB3 MET 3 2HB MET 3 8.961 6.877 -2.317 14 HG2 MET 3 1HG MET 3 6.190 5.774 -1.773 15 HG3 MET 3 2HG MET 3 6.516 7.463 -2.195 16 HE1 MET 3 1HE MET 3 5.613 4.318 -5.169 17 HE2 MET 3 2HE MET 3 6.193 3.769 -3.584 18 HE3 MET 3 3HE MET 3 4.808 4.883 -3.687 19 H LYS 4 H LYS 4 9.856 3.229 0.059 20 HA LYS 4 HA LYS 4 12.635 4.179 -0.333 21 HB2 LYS 4 1HB LYS 4 11.027 4.499 2.187 22 HB3 LYS 4 2HB LYS 4 12.621 3.776 2.369 23 HG2 LYS 4 1HG LYS 4 13.288 5.905 2.620 24 HG3 LYS 4 2HG LYS 4 13.307 5.887 0.848 25 HD2 LYS 4 1HD LYS 4 10.929 6.747 0.907 26 HD3 LYS 4 2HD LYS 4 11.105 6.929 2.664 27 HE2 LYS 4 1HE LYS 4 13.007 8.448 2.329 28 HE3 LYS 4 2HE LYS 4 12.899 8.211 0.571 29 HZ1 LYS 4 1HZ LYS 4 11.803 10.243 1.251 30 HZ2 LYS 4 2HZ LYS 4 10.790 9.419 2.259 31 HZ3 LYS 4 3HZ LYS 4 10.698 9.188 0.626 32 H TYR 5 H TYR 5 14.087 2.589 0.162 33 HA TYR 5 HA TYR 5 14.974 0.583 0.529 34 HB2 TYR 5 1HB TYR 5 12.639 0.410 2.419 35 HB3 TYR 5 2HB TYR 5 13.968 -0.732 2.396 36 HD1 TYR 5 HD1 TYR 5 12.825 1.796 4.307 37 HD2 TYR 5 HD2 TYR 5 16.381 0.837 2.073 38 HE1 TYR 5 HE1 TYR 5 14.173 3.282 5.785 39 HE2 TYR 5 HE2 TYR 5 17.703 2.323 3.531 40 HH TYR 5 HH TYR 5 16.243 4.145 6.242 41 H LEU 6 H LEU 6 14.855 -1.738 0.608 42 HA LEU 6 HA LEU 6 13.611 -2.653 -1.851 43 HB2 LEU 6 1HB LEU 6 15.074 -4.193 0.323 44 HB3 LEU 6 2HB LEU 6 14.714 -4.778 -1.291 45 HG LEU 6 HG LEU 6 16.612 -2.505 -0.695 46 HD11 LEU 6 1HD1 LEU 6 17.430 -4.643 0.223 47 HD12 LEU 6 2HD1 LEU 6 18.388 -4.160 -1.191 48 HD13 LEU 6 3HD1 LEU 6 17.154 -5.434 -1.347 49 HD21 LEU 6 1HD2 LEU 6 17.361 -2.862 -3.019 50 HD22 LEU 6 2HD2 LEU 6 15.661 -2.360 -2.944 51 HD23 LEU 6 3HD2 LEU 6 16.064 -4.067 -3.245 52 H ASN 7 H ASN 7 13.003 -3.146 1.588 53 HA ASN 7 HA ASN 7 11.349 -4.172 2.766 54 HB2 ASN 7 1HB ASN 7 9.662 -3.596 0.304 55 HB3 ASN 7 2HB ASN 7 9.054 -3.944 1.928 56 HD21 ASN 7 1HD2 ASN 7 10.460 -0.751 3.160 57 HD22 ASN 7 2HD2 ASN 7 10.699 -2.443 3.528 58 H VAL 8 H VAL 8 12.970 -6.121 1.586 59 HA VAL 8 HA VAL 8 11.041 -8.196 0.659 60 HB VAL 8 HB VAL 8 12.702 -9.102 -0.631 61 HG11 VAL 8 1HG1 VAL 8 14.247 -6.567 0.001 62 HG12 VAL 8 2HG1 VAL 8 14.338 -7.551 -1.479 63 HG13 VAL 8 3HG1 VAL 8 12.854 -6.646 -1.120 64 HG21 VAL 8 1HG2 VAL 8 15.162 -9.146 0.094 65 HG22 VAL 8 2HG2 VAL 8 14.581 -8.592 1.670 66 HG23 VAL 8 3HG2 VAL 8 14.017 -10.133 1.013 67 H LEU 9 H LEU 9 11.423 -10.412 1.638 68 HA LEU 9 HA LEU 9 12.042 -10.099 4.548 69 HB2 LEU 9 1HB LEU 9 10.610 -12.318 3.059 70 HB3 LEU 9 2HB LEU 9 10.880 -12.260 4.796 71 HG LEU 9 HG LEU 9 9.158 -10.332 3.198 72 HD11 LEU 9 1HD1 LEU 9 7.282 -11.445 4.332 73 HD12 LEU 9 2HD1 LEU 9 8.410 -12.546 5.154 74 HD13 LEU 9 3HD1 LEU 9 8.222 -12.615 3.383 75 HD21 LEU 9 1HD2 LEU 9 8.382 -9.547 5.439 76 HD22 LEU 9 2HD2 LEU 9 10.087 -9.177 5.133 77 HD23 LEU 9 3HD2 LEU 9 9.653 -10.534 6.195 78 H ALA 10 H ALA 10 13.560 -11.417 5.573 79 HA ALA 10 HA ALA 10 15.020 -13.374 3.858 80 HB1 ALA 10 1HB ALA 10 16.336 -11.223 5.555 81 HB2 ALA 10 2HB ALA 10 17.172 -12.526 4.676 82 HB3 ALA 10 3HB ALA 10 16.290 -11.277 3.778 83 H LYS 11 H LYS 11 15.891 -15.124 5.006 84 HA LYS 11 HA LYS 11 14.921 -15.371 7.826 85 HB2 LYS 11 1HB LYS 11 14.093 -17.095 6.378 86 HB3 LYS 11 2HB LYS 11 15.699 -17.446 5.747 87 HG2 LYS 11 1HG LYS 11 16.403 -18.465 7.756 88 HG3 LYS 11 2HG LYS 11 15.081 -17.755 8.695 89 HD2 LYS 11 1HD LYS 11 14.595 -19.779 6.499 90 HD3 LYS 11 2HD LYS 11 14.940 -20.233 8.183 91 HE2 LYS 11 1HE LYS 11 13.042 -18.613 8.829 92 HE3 LYS 11 2HE LYS 11 12.583 -18.660 7.118 93 HZ1 LYS 11 1HZ LYS 11 12.321 -21.058 7.336 94 HZ2 LYS 11 2HZ LYS 11 11.364 -20.269 8.427 95 HZ3 LYS 11 3HZ LYS 11 12.755 -20.995 8.929 96 H ALA 12 H ALA 12 16.287 -15.725 9.489 97 HA ALA 12 HA ALA 12 19.170 -15.436 9.088 98 HB1 ALA 12 1HB ALA 12 18.090 -14.500 11.079 99 HB2 ALA 12 2HB ALA 12 17.451 -16.091 11.527 100 HB3 ALA 12 3HB ALA 12 19.198 -15.791 11.577 101 H LEU 13 H LEU 13 20.619 -17.080 8.742 102 HA LEU 13 HA LEU 13 19.635 -19.893 8.987 103 HB2 LEU 13 1HB LEU 13 22.278 -18.748 8.043 104 HB3 LEU 13 2HB LEU 13 21.850 -20.444 8.041 105 HG LEU 13 HG LEU 13 21.662 -19.962 5.888 106 HD11 LEU 13 1HD1 LEU 13 18.866 -19.126 6.701 107 HD12 LEU 13 2HD1 LEU 13 19.447 -20.810 6.622 108 HD13 LEU 13 3HD1 LEU 13 19.369 -19.826 5.145 109 HD21 LEU 13 1HD2 LEU 13 22.174 -17.557 6.205 110 HD22 LEU 13 2HD2 LEU 13 20.423 -17.274 6.368 111 HD23 LEU 13 3HD2 LEU 13 21.097 -17.927 4.858 112 H TYR 14 H TYR 14 21.275 -17.509 10.725 113 HA TYR 14 HA TYR 14 22.210 -19.508 12.703 114 HB2 TYR 14 1HB TYR 14 23.920 -17.240 11.643 115 HB3 TYR 14 2HB TYR 14 24.363 -18.409 12.886 116 HD1 TYR 14 HD1 TYR 14 24.124 -17.764 9.306 117 HD2 TYR 14 HD2 TYR 14 24.698 -20.856 12.239 118 HE1 TYR 14 HE1 TYR 14 24.988 -19.282 7.535 119 HE2 TYR 14 HE2 TYR 14 25.591 -22.351 10.468 120 HH TYR 14 HH TYR 14 25.830 -21.352 7.053 121 H ASP 15 H ASP 15 22.666 -18.508 14.789 122 HA ASP 15 HA ASP 15 20.835 -16.390 15.496 123 HB2 ASP 15 1HB ASP 15 23.184 -17.638 16.975 124 HB3 ASP 15 2HB ASP 15 21.946 -16.605 17.710 125 H ASN 16 H ASN 16 21.462 -14.301 16.353 126 HA ASN 16 HA ASN 16 24.280 -13.509 15.838 127 HB2 ASN 16 1HB ASN 16 22.797 -12.848 13.854 128 HB3 ASN 16 2HB ASN 16 22.015 -11.712 14.958 129 HD21 ASN 16 1HD2 ASN 16 24.501 -9.316 14.471 130 HD22 ASN 16 2HD2 ASN 16 22.816 -9.702 14.796 131 H VAL 17 H VAL 17 25.078 -12.149 17.316 132 HA VAL 17 HA VAL 17 23.193 -11.083 19.365 133 HB VAL 17 HB VAL 17 26.147 -11.841 19.648 134 HG11 VAL 17 1HG1 VAL 17 25.812 -11.317 22.060 135 HG12 VAL 17 2HG1 VAL 17 25.573 -9.887 21.037 136 HG13 VAL 17 3HG1 VAL 17 24.164 -10.751 21.702 137 HG21 VAL 17 1HG2 VAL 17 23.633 -13.143 20.803 138 HG22 VAL 17 2HG2 VAL 17 24.719 -13.844 19.580 139 HG23 VAL 17 3HG2 VAL 17 25.306 -13.576 21.233 140 H ALA 18 H ALA 18 23.114 -8.948 19.377 141 HA ALA 18 HA ALA 18 24.578 -7.468 17.366 142 HB1 ALA 18 1HB ALA 18 22.642 -6.610 19.550 143 HB2 ALA 18 2HB ALA 18 23.266 -5.555 18.263 144 HB3 ALA 18 3HB ALA 18 22.245 -6.951 17.845 145 H GLU 19 H GLU 19 26.496 -6.571 17.628 146 HA GLU 19 HA GLU 19 27.550 -6.211 20.416 147 HB2 GLU 19 1HB GLU 19 28.913 -6.503 17.714 148 HB3 GLU 19 2HB GLU 19 29.768 -6.149 19.225 149 HG2 GLU 19 1HG GLU 19 29.121 -8.265 20.173 150 HG3 GLU 19 2HG GLU 19 28.034 -8.606 18.822 151 H SER 20 H SER 20 26.926 -4.699 17.305 152 HA SER 20 HA SER 20 27.921 -2.059 18.242 153 HB2 SER 20 1HB SER 20 28.381 -2.639 15.921 154 HB3 SER 20 2HB SER 20 26.689 -3.075 15.642 155 HG SER 20 HG SER 20 27.551 -0.864 14.996 156 HA PRO 21 HA PRO 21 23.838 -0.985 19.597 157 HB2 PRO 21 1HB PRO 21 23.852 1.735 19.252 158 HB3 PRO 21 2HB PRO 21 24.783 0.921 20.553 159 HG2 PRO 21 1HG PRO 21 25.738 1.818 17.835 160 HG3 PRO 21 2HG PRO 21 26.459 2.130 19.445 161 HD2 PRO 21 1HD PRO 21 27.392 0.195 17.900 162 HD3 PRO 21 2HD PRO 21 27.241 -0.027 19.676 163 H ASP 22 H ASP 22 25.028 -0.443 16.376 164 HA ASP 22 HA ASP 22 22.384 0.352 15.340 165 HB2 ASP 22 1HB ASP 22 25.181 0.124 14.248 166 HB3 ASP 22 2HB ASP 22 23.818 -0.009 13.133 167 H GLU 23 H GLU 23 23.859 -2.558 16.277 168 HA GLU 23 HA GLU 23 22.973 -4.041 13.893 169 HB2 GLU 23 1HB GLU 23 25.217 -4.306 14.997 170 HB3 GLU 23 2HB GLU 23 24.397 -5.043 16.371 171 HG2 GLU 23 1HG GLU 23 23.577 -6.837 14.892 172 HG3 GLU 23 2HG GLU 23 24.380 -6.068 13.518 173 H LEU 24 H LEU 24 21.649 -5.895 13.974 174 HA LEU 24 HA LEU 24 19.656 -5.854 16.201 175 HB2 LEU 24 1HB LEU 24 19.603 -7.112 13.449 176 HB3 LEU 24 2HB LEU 24 18.383 -7.416 14.677 177 HG LEU 24 HG LEU 24 18.999 -4.722 13.419 178 HD11 LEU 24 1HD1 LEU 24 17.933 -6.184 11.829 179 HD12 LEU 24 2HD1 LEU 24 16.727 -5.023 12.413 180 HD13 LEU 24 3HD1 LEU 24 16.724 -6.690 13.029 181 HD21 LEU 24 1HD2 LEU 24 18.224 -4.355 15.660 182 HD22 LEU 24 2HD2 LEU 24 16.938 -5.576 15.482 183 HD23 LEU 24 3HD2 LEU 24 16.857 -4.048 14.571 184 H SER 25 H SER 25 19.157 -7.607 17.398 185 HA SER 25 HA SER 25 20.984 -9.949 17.182 186 HB2 SER 25 1HB SER 25 20.334 -10.359 19.554 187 HB3 SER 25 2HB SER 25 21.141 -8.791 19.345 188 HG SER 25 HG SER 25 18.321 -9.083 19.287 189 H PHE 26 H PHE 26 20.087 -11.835 16.746 190 HA PHE 26 HA PHE 26 17.207 -12.327 17.107 191 HB2 PHE 26 1HB PHE 26 16.865 -12.918 14.711 192 HB3 PHE 26 2HB PHE 26 17.095 -11.203 15.021 193 HD1 PHE 26 HD1 PHE 26 18.742 -9.969 13.953 194 HD2 PHE 26 HD2 PHE 26 18.893 -14.265 13.844 195 HE1 PHE 26 HE1 PHE 26 20.511 -9.857 12.244 196 HE2 PHE 26 HE2 PHE 26 20.690 -14.160 12.126 197 HZ PHE 26 HZ PHE 26 21.483 -11.968 11.298 198 H ARG 27 H ARG 27 16.556 -14.476 16.143 199 HA ARG 27 HA ARG 27 18.657 -16.477 16.917 200 HB2 ARG 27 1HB ARG 27 16.513 -16.296 18.258 201 HB3 ARG 27 2HB ARG 27 15.599 -16.582 16.785 202 HG2 ARG 27 1HG ARG 27 15.479 -18.643 17.750 203 HG3 ARG 27 2HG ARG 27 16.889 -18.883 16.726 204 HD2 ARG 27 1HD ARG 27 18.365 -18.483 18.669 205 HD3 ARG 27 2HD ARG 27 16.948 -18.159 19.675 206 HE ARG 27 HE ARG 27 16.344 -20.443 19.608 207 HH11 ARG 27 1HH1 ARG 27 19.403 -19.935 17.878 208 HH12 ARG 27 2HH1 ARG 27 19.778 -21.636 17.903 209 HH21 ARG 27 1HH2 ARG 27 16.910 -22.588 19.565 210 HH22 ARG 27 2HH2 ARG 27 18.404 -23.098 18.828 211 H LYS 28 H LYS 28 18.916 -18.299 15.698 212 HA LYS 28 HA LYS 28 18.747 -18.208 12.855 213 HB2 LYS 28 1HB LYS 28 20.207 -19.686 14.176 214 HB3 LYS 28 2HB LYS 28 18.813 -20.476 14.895 215 HG2 LYS 28 1HG LYS 28 18.270 -21.597 12.895 216 HG3 LYS 28 2HG LYS 28 19.393 -20.605 11.948 217 HD2 LYS 28 1HD LYS 28 21.290 -21.454 13.251 218 HD3 LYS 28 2HD LYS 28 20.203 -22.444 14.239 219 HE2 LYS 28 1HE LYS 28 19.702 -23.874 12.370 220 HE3 LYS 28 2HE LYS 28 20.510 -22.760 11.240 221 HZ1 LYS 28 1HZ LYS 28 22.580 -23.164 12.510 222 HZ2 LYS 28 2HZ LYS 28 22.018 -24.504 11.741 223 HZ3 LYS 28 3HZ LYS 28 21.821 -24.342 13.378 224 H GLY 29 H GLY 29 17.102 -18.435 11.507 225 HA2 GLY 29 1HA GLY 29 15.147 -19.568 10.742 226 HA3 GLY 29 2HA GLY 29 14.669 -19.890 12.411 227 H ASP 30 H ASP 30 15.574 -16.798 12.732 228 HA ASP 30 HA ASP 30 12.844 -15.855 12.722 229 HB2 ASP 30 1HB ASP 30 15.530 -14.485 13.102 230 HB3 ASP 30 2HB ASP 30 14.006 -13.591 13.108 231 H ILE 31 H ILE 31 12.023 -14.015 11.573 232 HA ILE 31 HA ILE 31 13.197 -13.720 8.836 233 HB ILE 31 HB ILE 31 10.263 -13.467 9.676 234 HG12 ILE 31 1HG1 ILE 31 10.879 -15.807 9.632 235 HG13 ILE 31 2HG1 ILE 31 9.893 -15.434 8.223 236 HG21 ILE 31 1HG2 ILE 31 11.663 -13.086 6.982 237 HG22 ILE 31 2HG2 ILE 31 9.902 -13.309 7.145 238 HG23 ILE 31 3HG2 ILE 31 10.692 -11.904 7.885 239 HD11 ILE 31 1HD1 ILE 31 12.828 -16.073 8.349 240 HD12 ILE 31 2HD1 ILE 31 11.547 -16.824 7.377 241 HD13 ILE 31 3HD1 ILE 31 12.151 -15.219 6.942 242 H MET 32 H MET 32 13.874 -11.720 8.365 243 HA MET 32 HA MET 32 12.637 -9.435 9.849 244 HB2 MET 32 1HB MET 32 14.837 -8.310 9.810 245 HB3 MET 32 2HB MET 32 14.824 -9.764 10.788 246 HG2 MET 32 1HG MET 32 15.708 -10.824 8.476 247 HG3 MET 32 2HG MET 32 16.333 -9.180 8.323 248 HE1 MET 32 1HE MET 32 17.365 -12.293 11.617 249 HE2 MET 32 2HE MET 32 15.712 -11.651 11.494 250 HE3 MET 32 3HE MET 32 16.408 -12.600 10.151 251 H THR 33 H THR 33 12.677 -7.449 8.724 252 HA THR 33 HA THR 33 12.219 -7.883 5.822 253 HB THR 33 HB THR 33 11.770 -5.446 7.609 254 HG1 THR 33 HG1 THR 33 9.597 -6.109 7.452 255 HG21 THR 33 1HG2 THR 33 10.323 -4.677 5.728 256 HG22 THR 33 2HG2 THR 33 10.925 -6.032 4.742 257 HG23 THR 33 3HG2 THR 33 12.044 -4.753 5.291 258 H VAL 34 H VAL 34 13.947 -7.632 4.492 259 HA VAL 34 HA VAL 34 16.258 -6.043 5.329 260 HB VAL 34 HB VAL 34 15.679 -7.255 2.622 261 HG11 VAL 34 1HG1 VAL 34 17.416 -5.547 2.497 262 HG12 VAL 34 2HG1 VAL 34 18.263 -6.263 3.889 263 HG13 VAL 34 3HG1 VAL 34 18.158 -7.150 2.349 264 HG21 VAL 34 1HG2 VAL 34 17.125 -8.373 5.035 265 HG22 VAL 34 2HG2 VAL 34 15.661 -9.019 4.249 266 HG23 VAL 34 3HG2 VAL 34 17.216 -9.066 3.405 267 H LEU 35 H LEU 35 16.522 -3.998 5.038 268 HA LEU 35 HA LEU 35 14.544 -2.551 3.372 269 HB2 LEU 35 1HB LEU 35 16.517 -1.668 5.491 270 HB3 LEU 35 2HB LEU 35 15.392 -0.602 4.668 271 HG LEU 35 HG LEU 35 14.567 -2.967 6.382 272 HD11 LEU 35 1HD1 LEU 35 13.912 -1.198 7.987 273 HD12 LEU 35 2HD1 LEU 35 14.758 -0.015 6.964 274 HD13 LEU 35 3HD1 LEU 35 15.657 -1.352 7.726 275 HD21 LEU 35 1HD2 LEU 35 12.947 -0.683 5.188 276 HD22 LEU 35 2HD2 LEU 35 12.333 -1.893 6.340 277 HD23 LEU 35 3HD2 LEU 35 12.857 -2.397 4.723 278 H GLU 36 H GLU 36 18.096 -2.796 3.979 279 HA GLU 36 HA GLU 36 18.457 -2.504 1.092 280 HB2 GLU 36 1HB GLU 36 19.762 -0.583 1.004 281 HB3 GLU 36 2HB GLU 36 18.370 -0.145 1.978 282 HG2 GLU 36 1HG GLU 36 19.752 -0.445 3.967 283 HG3 GLU 36 2HG GLU 36 21.141 -0.627 2.889 284 H ARG 37 H ARG 37 20.998 -2.536 0.669 285 HA ARG 37 HA ARG 37 22.220 -4.394 2.670 286 HB2 ARG 37 1HB ARG 37 22.434 -4.557 -0.351 287 HB3 ARG 37 2HB ARG 37 23.211 -5.638 0.811 288 HG2 ARG 37 1HG ARG 37 20.882 -6.353 1.545 289 HG3 ARG 37 2HG ARG 37 20.256 -5.424 0.167 290 HD2 ARG 37 1HD ARG 37 22.121 -7.801 0.113 291 HD3 ARG 37 2HD ARG 37 20.492 -7.706 -0.567 292 HE ARG 37 HE ARG 37 23.005 -6.602 -1.677 293 HH11 ARG 37 1HH1 ARG 37 19.484 -6.732 -2.018 294 HH12 ARG 37 2HH1 ARG 37 19.536 -6.145 -3.659 295 HH21 ARG 37 1HH2 ARG 37 22.984 -5.856 -3.747 296 HH22 ARG 37 2HH2 ARG 37 21.486 -5.661 -4.619 297 H ASP 38 H ASP 38 24.479 -4.175 2.789 298 HA ASP 38 HA ASP 38 26.432 -3.061 2.828 299 HB2 ASP 38 1HB ASP 38 25.730 -2.185 0.019 300 HB3 ASP 38 2HB ASP 38 27.347 -2.388 0.716 301 H THR 39 H THR 39 24.210 -1.980 3.930 302 HA THR 39 HA THR 39 23.632 0.743 3.341 303 HB THR 39 HB THR 39 22.104 -0.661 4.624 304 HG1 THR 39 HG1 THR 39 21.862 1.458 5.133 305 HG21 THR 39 1HG2 THR 39 22.559 -1.255 6.926 306 HG22 THR 39 2HG2 THR 39 24.250 -0.763 6.714 307 HG23 THR 39 3HG2 THR 39 23.572 -2.111 5.764 308 H GLN 40 H GLN 40 24.274 2.634 4.311 309 HA GLN 40 HA GLN 40 25.744 4.152 5.114 310 HB2 GLN 40 1HB GLN 40 26.607 2.183 7.220 311 HB3 GLN 40 2HB GLN 40 26.556 3.939 7.311 312 HG2 GLN 40 1HG GLN 40 23.981 3.612 6.998 313 HG3 GLN 40 2HG GLN 40 24.299 1.945 7.480 314 HE21 GLN 40 1HE2 GLN 40 24.336 2.712 10.882 315 HE22 GLN 40 2HE2 GLN 40 24.176 1.531 9.598 316 H GLY 41 H GLY 41 26.762 1.798 3.288 317 HA2 GLY 41 1HA GLY 41 28.767 1.618 2.117 318 HA3 GLY 41 2HA GLY 41 29.539 2.734 3.258 319 H LEU 42 H LEU 42 27.754 0.244 4.812 320 HA LEU 42 HA LEU 42 30.273 -0.996 5.683 321 HB2 LEU 42 1HB LEU 42 27.400 -1.444 6.517 322 HB3 LEU 42 2HB LEU 42 28.818 -2.097 7.317 323 HG LEU 42 HG LEU 42 28.265 0.873 7.097 324 HD11 LEU 42 1HD1 LEU 42 26.437 -0.185 8.271 325 HD12 LEU 42 2HD1 LEU 42 27.468 0.688 9.425 326 HD13 LEU 42 3HD1 LEU 42 27.578 -1.087 9.304 327 HD21 LEU 42 1HD2 LEU 42 30.059 -0.796 8.902 328 HD22 LEU 42 2HD2 LEU 42 29.822 0.964 9.014 329 HD23 LEU 42 3HD2 LEU 42 30.591 0.269 7.573 330 H ASP 43 H ASP 43 30.927 -2.189 3.902 331 HA ASP 43 HA ASP 43 29.245 -3.707 2.216 332 HB2 ASP 43 1HB ASP 43 32.158 -3.753 2.912 333 HB3 ASP 43 2HB ASP 43 31.486 -5.186 2.115 334 H GLY 44 H GLY 44 28.193 -5.556 2.347 335 HA2 GLY 44 1HA GLY 44 27.814 -7.756 3.058 336 HA3 GLY 44 2HA GLY 44 29.094 -7.600 4.266 337 H TRP 45 H TRP 45 27.516 -4.914 5.068 338 HA TRP 45 HA TRP 45 25.814 -6.334 7.016 339 HB2 TRP 45 1HB TRP 45 26.820 -3.518 6.627 340 HB3 TRP 45 2HB TRP 45 25.623 -3.887 7.832 341 HD1 TRP 45 HD1 TRP 45 29.331 -4.010 7.236 342 HE1 TRP 45 HE1 TRP 45 30.586 -4.955 9.235 343 HE3 TRP 45 HE3 TRP 45 25.287 -5.823 9.737 344 HZ2 TRP 45 HZ2 TRP 45 29.888 -6.431 11.611 345 HZ3 TRP 45 HZ3 TRP 45 25.628 -6.989 11.903 346 HH2 TRP 45 HH2 TRP 45 27.895 -7.304 12.817 347 H TRP 46 H TRP 46 23.631 -6.439 6.828 348 HA TRP 46 HA TRP 46 22.395 -4.826 4.625 349 HB2 TRP 46 1HB TRP 46 21.537 -7.474 5.849 350 HB3 TRP 46 2HB TRP 46 20.634 -6.586 4.616 351 HD1 TRP 46 HD1 TRP 46 24.106 -6.189 3.572 352 HE1 TRP 46 HE1 TRP 46 24.882 -7.875 1.856 353 HE3 TRP 46 HE3 TRP 46 20.240 -9.538 4.085 354 HZ2 TRP 46 HZ2 TRP 46 23.990 -10.406 0.862 355 HZ3 TRP 46 HZ3 TRP 46 20.314 -11.632 2.745 356 HH2 TRP 46 HH2 TRP 46 22.158 -12.046 1.127 357 H LEU 47 H LEU 47 20.924 -3.334 5.180 358 HA LEU 47 HA LEU 47 20.282 -2.923 8.010 359 HB2 LEU 47 1HB LEU 47 20.542 -1.039 6.406 360 HB3 LEU 47 2HB LEU 47 19.206 -1.664 5.460 361 HG LEU 47 HG LEU 47 17.671 -1.187 7.300 362 HD11 LEU 47 1HD1 LEU 47 18.457 0.210 9.207 363 HD12 LEU 47 2HD1 LEU 47 20.128 -0.142 8.715 364 HD13 LEU 47 3HD1 LEU 47 19.046 -1.457 9.229 365 HD21 LEU 47 1HD2 LEU 47 18.111 0.510 5.576 366 HD22 LEU 47 2HD2 LEU 47 19.436 1.173 6.553 367 HD23 LEU 47 3HD2 LEU 47 17.759 1.267 7.138 368 H CYS 48 H CYS 48 18.674 -3.979 9.027 369 HA CYS 48 HA CYS 48 16.317 -4.741 7.376 370 HB2 CYS 48 1HB CYS 48 17.507 -6.558 9.497 371 HB3 CYS 48 2HB CYS 48 16.199 -6.912 8.374 372 HG CYS 48 HG CYS 48 19.382 -6.328 7.682 373 H SER 49 H SER 49 14.479 -5.405 8.780 374 HA SER 49 HA SER 49 14.497 -3.876 11.338 375 HB2 SER 49 1HB SER 49 12.820 -2.573 10.662 376 HB3 SER 49 2HB SER 49 13.123 -3.148 9.027 377 HG SER 49 HG SER 49 10.943 -3.429 9.646 378 H LEU 50 H LEU 50 13.803 -4.971 13.028 379 HA LEU 50 HA LEU 50 12.165 -7.425 12.705 380 HB2 LEU 50 1HB LEU 50 14.562 -8.133 12.486 381 HB3 LEU 50 2HB LEU 50 14.898 -7.356 14.029 382 HG LEU 50 HG LEU 50 12.862 -9.083 14.687 383 HD11 LEU 50 1HD1 LEU 50 13.027 -10.084 12.433 384 HD12 LEU 50 2HD1 LEU 50 13.303 -11.208 13.784 385 HD13 LEU 50 3HD1 LEU 50 14.680 -10.584 12.855 386 HD21 LEU 50 1HD2 LEU 50 14.682 -10.415 15.719 387 HD22 LEU 50 2HD2 LEU 50 14.841 -8.669 16.000 388 HD23 LEU 50 3HD2 LEU 50 15.856 -9.465 14.777 389 H HIS 51 H HIS 51 10.836 -7.613 14.483 390 HA HIS 51 HA HIS 51 9.739 -7.019 16.405 391 HB2 HIS 51 1HB HIS 51 12.533 -6.449 17.461 392 HB3 HIS 51 2HB HIS 51 11.081 -6.688 18.435 393 HD1 HIS 51 HD1 HIS 51 13.626 -8.536 18.699 394 HD2 HIS 51 HD2 HIS 51 10.253 -9.395 16.416 395 HE1 HIS 51 HE1 HIS 51 13.539 -11.049 18.429 396 H GLY 52 H GLY 52 10.221 -4.867 14.397 397 HA2 GLY 52 1HA GLY 52 9.568 -2.647 14.284 398 HA3 GLY 52 2HA GLY 52 9.281 -2.671 16.030 399 H ARG 53 H ARG 53 12.435 -3.725 15.166 400 HA ARG 53 HA ARG 53 13.554 -1.031 15.840 401 HB2 ARG 53 1HB ARG 53 13.711 -3.278 17.375 402 HB3 ARG 53 2HB ARG 53 15.075 -3.578 16.313 403 HG2 ARG 53 1HG ARG 53 14.775 -0.974 17.854 404 HG3 ARG 53 2HG ARG 53 15.502 -2.424 18.564 405 HD2 ARG 53 1HD ARG 53 17.061 -2.444 16.515 406 HD3 ARG 53 2HD ARG 53 16.519 -0.777 16.241 407 HE ARG 53 HE ARG 53 17.292 -1.025 18.951 408 HH11 ARG 53 1HH1 ARG 53 18.873 -1.051 15.767 409 HH12 ARG 53 2HH1 ARG 53 20.405 -0.552 16.463 410 HH21 ARG 53 1HH2 ARG 53 19.270 -0.370 19.698 411 HH22 ARG 53 2HH2 ARG 53 20.615 -0.162 18.590 412 H GLN 54 H GLN 54 15.219 -0.383 14.477 413 HA GLN 54 HA GLN 54 15.641 -2.096 12.069 414 HB2 GLN 54 1HB GLN 54 15.067 0.700 12.472 415 HB3 GLN 54 2HB GLN 54 16.669 0.537 11.731 416 HG2 GLN 54 1HG GLN 54 15.711 -0.840 9.977 417 HG3 GLN 54 2HG GLN 54 14.113 -0.696 10.724 418 HE21 GLN 54 1HE2 GLN 54 15.757 2.615 8.896 419 HE22 GLN 54 2HE2 GLN 54 16.796 1.409 9.610 420 H GLY 55 H GLY 55 17.770 -2.492 11.355 421 HA2 GLY 55 1HA GLY 55 20.032 -1.171 12.426 422 HA3 GLY 55 2HA GLY 55 19.756 -2.626 13.386 423 H ILE 56 H ILE 56 22.103 -2.461 12.135 424 HA ILE 56 HA ILE 56 21.925 -3.709 9.478 425 HB ILE 56 HB ILE 56 24.391 -3.698 9.497 426 HG12 ILE 56 1HG1 ILE 56 24.103 -2.689 12.373 427 HG13 ILE 56 2HG1 ILE 56 24.686 -4.282 11.908 428 HG21 ILE 56 1HG2 ILE 56 22.986 -1.588 9.056 429 HG22 ILE 56 2HG2 ILE 56 23.436 -1.044 10.686 430 HG23 ILE 56 3HG2 ILE 56 24.690 -1.326 9.456 431 HD11 ILE 56 1HD1 ILE 56 26.603 -3.005 12.437 432 HD12 ILE 56 2HD1 ILE 56 26.561 -3.081 10.661 433 HD13 ILE 56 3HD1 ILE 56 26.033 -1.605 11.502 434 H VAL 57 H VAL 57 22.808 -5.734 8.971 435 HA VAL 57 HA VAL 57 23.014 -7.720 11.189 436 HB VAL 57 HB VAL 57 21.279 -7.977 8.723 437 HG11 VAL 57 1HG1 VAL 57 21.943 -9.953 10.797 438 HG12 VAL 57 2HG1 VAL 57 20.538 -10.108 9.739 439 HG13 VAL 57 3HG1 VAL 57 22.168 -10.071 9.045 440 HG21 VAL 57 1HG2 VAL 57 20.535 -7.729 11.628 441 HG22 VAL 57 2HG2 VAL 57 20.139 -6.588 10.324 442 HG23 VAL 57 3HG2 VAL 57 19.385 -8.195 10.350 443 HA PRO 58 HA PRO 58 26.246 -8.810 8.313 444 HB2 PRO 58 1HB PRO 58 26.909 -11.332 9.173 445 HB3 PRO 58 2HB PRO 58 27.352 -9.849 10.079 446 HG2 PRO 58 1HG PRO 58 25.048 -11.705 10.544 447 HG3 PRO 58 2HG PRO 58 26.228 -11.048 11.718 448 HD2 PRO 58 1HD PRO 58 23.762 -9.966 11.353 449 HD3 PRO 58 2HD PRO 58 25.177 -8.963 11.756 450 H GLY 59 H GLY 59 25.648 -9.197 6.236 451 HA2 GLY 59 1HA GLY 59 23.390 -10.759 5.502 452 HA3 GLY 59 2HA GLY 59 24.677 -10.208 4.415 453 H ASN 60 H ASN 60 26.677 -11.641 6.135 454 HA ASN 60 HA ASN 60 26.814 -14.097 4.708 455 HB2 ASN 60 1HB ASN 60 28.642 -12.686 5.920 456 HB3 ASN 60 2HB ASN 60 28.180 -13.597 7.366 457 HD21 ASN 60 1HD2 ASN 60 30.816 -15.675 6.244 458 HD22 ASN 60 2HD2 ASN 60 30.388 -14.367 7.331 459 H ARG 61 H ARG 61 24.839 -13.277 7.389 460 HA ARG 61 HA ARG 61 24.503 -16.179 8.050 461 HB2 ARG 61 1HB ARG 61 24.055 -13.720 9.778 462 HB3 ARG 61 2HB ARG 61 23.655 -15.377 10.251 463 HG2 ARG 61 1HG ARG 61 26.045 -16.005 10.003 464 HG3 ARG 61 2HG ARG 61 26.436 -14.311 9.640 465 HD2 ARG 61 1HD ARG 61 25.592 -13.624 11.828 466 HD3 ARG 61 2HD ARG 61 25.100 -15.289 12.175 467 HE ARG 61 HE ARG 61 27.869 -15.306 11.528 468 HH11 ARG 61 1HH1 ARG 61 25.790 -14.153 14.155 469 HH12 ARG 61 2HH1 ARG 61 27.066 -14.299 15.329 470 HH21 ARG 61 1HH2 ARG 61 29.400 -15.490 13.065 471 HH22 ARG 61 2HH2 ARG 61 29.083 -15.038 14.728 472 H LEU 62 H LEU 62 23.171 -14.045 6.072 473 HA LEU 62 HA LEU 62 20.365 -14.738 6.861 474 HB2 LEU 62 1HB LEU 62 21.631 -12.229 5.874 475 HB3 LEU 62 2HB LEU 62 20.066 -12.638 5.198 476 HG LEU 62 HG LEU 62 20.658 -12.259 8.127 477 HD11 LEU 62 1HD1 LEU 62 20.758 -10.193 6.795 478 HD12 LEU 62 2HD1 LEU 62 19.327 -10.199 7.841 479 HD13 LEU 62 3HD1 LEU 62 19.154 -10.558 6.105 480 HD21 LEU 62 1HD2 LEU 62 18.168 -12.190 8.350 481 HD22 LEU 62 2HD2 LEU 62 18.846 -13.773 8.002 482 HD23 LEU 62 3HD2 LEU 62 18.064 -12.854 6.706 483 H LYS 63 H LYS 63 18.866 -15.094 5.289 484 HA LYS 63 HA LYS 63 19.936 -15.377 2.502 485 HB2 LYS 63 1HB LYS 63 19.729 -17.669 3.368 486 HB3 LYS 63 2HB LYS 63 18.039 -17.365 3.805 487 HG2 LYS 63 1HG LYS 63 17.446 -17.043 1.466 488 HG3 LYS 63 2HG LYS 63 19.143 -17.105 0.989 489 HD2 LYS 63 1HD LYS 63 18.152 -19.147 0.376 490 HD3 LYS 63 2HD LYS 63 19.199 -19.491 1.763 491 HE2 LYS 63 1HE LYS 63 17.335 -19.723 3.221 492 HE3 LYS 63 2HE LYS 63 16.235 -18.942 2.057 493 HZ1 LYS 63 1HZ LYS 63 16.295 -20.794 0.656 494 HZ2 LYS 63 2HZ LYS 63 16.136 -21.443 2.160 495 HZ3 LYS 63 3HZ LYS 63 17.605 -21.474 1.410 496 H ILE 64 H ILE 64 18.940 -14.107 1.202 497 HA ILE 64 HA ILE 64 16.492 -12.750 1.819 498 HB ILE 64 HB ILE 64 17.819 -13.270 -0.885 499 HG12 ILE 64 1HG1 ILE 64 19.362 -12.165 0.694 500 HG13 ILE 64 2HG1 ILE 64 18.912 -11.136 -0.653 501 HG21 ILE 64 1HG2 ILE 64 16.651 -11.073 -1.468 502 HG22 ILE 64 2HG2 ILE 64 15.605 -12.501 -1.294 503 HG23 ILE 64 3HG2 ILE 64 15.710 -11.310 0.019 504 HD11 ILE 64 1HD1 ILE 64 18.973 -9.801 1.365 505 HD12 ILE 64 2HD1 ILE 64 17.289 -9.919 0.845 506 HD13 ILE 64 3HD1 ILE 64 17.874 -10.913 2.199 507 H LEU 65 H LEU 65 14.440 -13.445 1.629 508 HA LEU 65 HA LEU 65 13.989 -16.054 0.269 509 HB2 LEU 65 1HB LEU 65 12.150 -14.416 2.050 510 HB3 LEU 65 2HB LEU 65 11.830 -16.035 1.422 511 HG LEU 65 HG LEU 65 13.976 -15.260 3.430 512 HD11 LEU 65 1HD1 LEU 65 12.607 -16.579 4.979 513 HD12 LEU 65 2HD1 LEU 65 11.415 -16.870 3.691 514 HD13 LEU 65 3HD1 LEU 65 11.696 -15.222 4.305 515 HD21 LEU 65 1HD2 LEU 65 14.861 -17.094 2.109 516 HD22 LEU 65 2HD2 LEU 65 13.319 -17.984 2.225 517 HD23 LEU 65 3HD2 LEU 65 14.325 -17.734 3.671 518 H VAL 66 H VAL 66 13.889 -15.610 -1.842 519 HA VAL 66 HA VAL 66 12.745 -13.238 -2.974 520 HB VAL 66 HB VAL 66 13.259 -15.970 -4.272 521 HG11 VAL 66 1HG1 VAL 66 11.863 -14.560 -5.710 522 HG12 VAL 66 2HG1 VAL 66 12.981 -13.191 -5.504 523 HG13 VAL 66 3HG1 VAL 66 13.501 -14.650 -6.382 524 HG21 VAL 66 1HG2 VAL 66 15.322 -15.163 -3.229 525 HG22 VAL 66 2HG2 VAL 66 15.445 -14.947 -4.983 526 HG23 VAL 66 3HG2 VAL 66 15.092 -13.547 -3.943 527 H GLY 67 H GLY 67 11.428 -16.395 -2.121 528 HA2 GLY 67 1HA GLY 67 9.144 -16.890 -1.823 529 HA3 GLY 67 2HA GLY 67 8.705 -15.415 -2.720 530 H MET 68 H MET 68 7.438 -17.750 -3.319 531 HA MET 68 HA MET 68 6.804 -19.128 -5.014 532 HB2 MET 68 1HB MET 68 7.597 -17.073 -6.422 533 HB3 MET 68 2HB MET 68 8.956 -18.105 -6.860 534 HG2 MET 68 1HG MET 68 6.030 -18.827 -7.247 535 HG3 MET 68 2HG MET 68 7.054 -18.110 -8.492 536 HE1 MET 68 1HE MET 68 9.851 -19.593 -8.341 537 HE2 MET 68 2HE MET 68 9.525 -20.947 -9.446 538 HE3 MET 68 3HE MET 68 8.905 -19.324 -9.826 539 H TYR 69 H TYR 69 10.363 -18.821 -5.103 540 HA TYR 69 HA TYR 69 10.818 -21.708 -5.271 541 HB2 TYR 69 1HB TYR 69 12.670 -19.432 -4.452 542 HB3 TYR 69 2HB TYR 69 13.163 -21.061 -4.932 543 HD1 TYR 69 HD1 TYR 69 12.224 -17.714 -6.088 544 HD2 TYR 69 HD2 TYR 69 12.842 -21.786 -7.360 545 HE1 TYR 69 HE1 TYR 69 12.336 -16.963 -8.462 546 HE2 TYR 69 HE2 TYR 69 12.962 -21.013 -9.736 547 HH TYR 69 HH TYR 69 12.891 -19.219 -11.164 548 H ASP 70 H ASP 70 12.221 -22.652 -3.394 549 HA ASP 70 HA ASP 70 12.238 -23.442 -1.253 550 HB2 ASP 70 1HB ASP 70 12.056 -20.476 -0.652 551 HB3 ASP 70 2HB ASP 70 12.290 -21.709 0.590 552 H LYS 71 H LYS 71 9.678 -23.416 -2.586 553 HA LYS 71 HA LYS 71 7.588 -22.798 -0.724 554 HB2 LYS 71 1HB LYS 71 7.401 -23.318 -3.220 555 HB3 LYS 71 2HB LYS 71 7.559 -25.027 -2.788 556 HG2 LYS 71 1HG LYS 71 5.515 -24.829 -1.372 557 HG3 LYS 71 2HG LYS 71 5.386 -23.123 -1.827 558 HD2 LYS 71 1HD LYS 71 3.878 -24.178 -3.258 559 HD3 LYS 71 2HD LYS 71 5.325 -23.981 -4.270 560 HE2 LYS 71 1HE LYS 71 5.967 -26.325 -3.832 561 HE3 LYS 71 2HE LYS 71 4.575 -26.515 -2.743 562 HZ1 LYS 71 1HZ LYS 71 4.109 -27.379 -4.957 563 HZ2 LYS 71 2HZ LYS 71 4.400 -25.907 -5.641 564 HZ3 LYS 71 3HZ LYS 71 3.116 -26.104 -4.623 565 H LYS 72 H LYS 72 9.918 -25.364 -0.867 566 HA LYS 72 HA LYS 72 8.438 -27.055 1.081 567 HB2 LYS 72 1HB LYS 72 11.198 -27.309 -0.159 568 HB3 LYS 72 2HB LYS 72 10.503 -28.464 0.968 569 HG2 LYS 72 1HG LYS 72 8.800 -29.111 -0.634 570 HG3 LYS 72 2HG LYS 72 9.291 -27.819 -1.743 571 HD2 LYS 72 1HD LYS 72 10.224 -29.886 -2.567 572 HD3 LYS 72 2HD LYS 72 11.549 -28.890 -1.943 573 HE2 LYS 72 1HE LYS 72 11.516 -30.214 0.178 574 HE3 LYS 72 2HE LYS 72 10.229 -31.233 -0.498 575 HZ1 LYS 72 1HZ LYS 72 12.964 -30.939 -1.617 576 HZ2 LYS 72 2HZ LYS 72 11.776 -31.886 -2.260 577 HZ3 LYS 72 3HZ LYS 72 12.409 -32.243 -0.778 578 HA PRO 73 HA PRO 73 10.650 -24.887 4.254 579 HB2 PRO 73 1HB PRO 73 10.667 -26.672 6.322 580 HB3 PRO 73 2HB PRO 73 9.170 -25.832 5.803 581 HG2 PRO 73 1HG PRO 73 10.140 -28.589 5.097 582 HG3 PRO 73 2HG PRO 73 8.522 -28.074 5.673 583 HD2 PRO 73 1HD PRO 73 9.080 -28.484 3.037 584 HD3 PRO 73 2HD PRO 73 7.935 -27.210 3.569 585 H ALA 74 H ALA 74 12.766 -24.820 5.181 586 HA ALA 74 HA ALA 74 14.698 -26.533 3.804 587 HB1 ALA 74 1HB ALA 74 16.372 -25.063 4.869 588 HB2 ALA 74 2HB ALA 74 15.104 -24.093 4.083 589 HB3 ALA 74 3HB ALA 74 15.101 -24.302 5.854 590 H GLY 75 H GLY 75 15.990 -28.089 4.761 591 HA2 GLY 75 1HA GLY 75 16.800 -29.501 6.411 592 HA3 GLY 75 2HA GLY 75 16.055 -28.462 7.639 593 H SER 76 H SER 76 15.696 -30.776 8.500 594 HA SER 76 HA SER 76 12.938 -31.565 7.694 595 HB2 SER 76 1HB SER 76 13.647 -33.967 8.005 596 HB3 SER 76 2HB SER 76 14.358 -33.177 6.582 597 HG SER 76 HG SER 76 15.641 -33.434 9.113 598 H GLY 77 H GLY 77 11.768 -31.145 9.470 599 HA2 GLY 77 1HA GLY 77 11.065 -31.560 11.664 600 HA3 GLY 77 2HA GLY 77 12.630 -32.296 12.031 601 H GLY 78 H GLY 78 13.730 -29.635 10.687 602 HA2 GLY 78 1HA GLY 78 14.132 -27.429 11.420 603 HA3 GLY 78 2HA GLY 78 13.161 -27.738 12.875 604 H SER 79 H SER 79 15.128 -26.610 13.857 605 HA SER 79 HA SER 79 17.577 -28.243 13.980 606 HB2 SER 79 1HB SER 79 18.416 -26.338 15.316 607 HB3 SER 79 2HB SER 79 17.700 -25.793 13.781 608 HG SER 79 HG SER 79 16.494 -25.747 16.364 609 H GLY 80 H GLY 80 14.644 -28.290 15.634 610 HA2 GLY 80 1HA GLY 80 14.072 -29.374 17.610 611 HA3 GLY 80 2HA GLY 80 15.775 -29.818 17.826 612 H SER 81 H SER 81 15.115 -29.314 20.116 613 HA SER 81 HA SER 81 15.558 -26.407 20.683 614 HB2 SER 81 1HB SER 81 13.826 -28.326 22.285 615 HB3 SER 81 2HB SER 81 14.051 -26.584 22.575 616 HG SER 81 HG SER 81 13.223 -26.382 20.316 617 H GLY 82 H GLY 82 17.352 -28.845 20.483 618 HA2 GLY 82 1HA GLY 82 18.967 -28.301 22.811 619 HA3 GLY 82 2HA GLY 82 18.208 -29.928 22.880 620 H LEU 83 H LEU 83 20.913 -30.030 22.516 621 HA LEU 83 HA LEU 83 22.647 -30.558 21.091 622 HB2 LEU 83 1HB LEU 83 20.395 -31.646 19.364 623 HB3 LEU 83 2HB LEU 83 22.107 -31.984 19.146 624 HG LEU 83 HG LEU 83 20.503 -32.780 21.599 625 HD11 LEU 83 1HD1 LEU 83 21.394 -34.422 19.193 626 HD12 LEU 83 2HD1 LEU 83 19.724 -33.935 19.568 627 HD13 LEU 83 3HD1 LEU 83 20.586 -35.051 20.648 628 HD21 LEU 83 1HD2 LEU 83 22.454 -34.282 22.029 629 HD22 LEU 83 2HD2 LEU 83 22.893 -32.565 22.100 630 HD23 LEU 83 3HD2 LEU 83 23.311 -33.527 20.665 631 H THR 84 H THR 84 22.186 -27.971 20.984 632 HA THR 84 HA THR 84 21.501 -26.905 18.404 633 HB THR 84 HB THR 84 22.767 -24.864 19.317 634 HG1 THR 84 HG1 THR 84 24.137 -26.232 20.675 635 HG21 THR 84 1HG2 THR 84 21.133 -24.379 21.079 636 HG22 THR 84 2HG2 THR 84 20.711 -26.099 21.206 637 HG23 THR 84 3HG2 THR 84 20.323 -25.195 19.723 638 H ASP 85 H ASP 85 22.669 -26.959 16.586 639 HA ASP 85 HA ASP 85 25.614 -27.307 16.731 640 HB2 ASP 85 1HB ASP 85 24.130 -29.495 16.502 641 HB3 ASP 85 2HB ASP 85 23.944 -28.959 14.826 642 H GLU 86 H GLU 86 26.316 -27.429 14.256 643 HA GLU 86 HA GLU 86 26.661 -26.342 12.293 644 HB2 GLU 86 1HB GLU 86 24.260 -26.955 11.885 645 HB3 GLU 86 2HB GLU 86 23.826 -25.328 12.389 646 HG2 GLU 86 1HG GLU 86 25.165 -24.386 10.555 647 HG3 GLU 86 2HG GLU 86 25.635 -26.016 10.060 648 H LEU 87 H LEU 87 28.185 -25.148 13.337 649 HA LEU 87 HA LEU 87 27.698 -22.740 14.777 650 HB2 LEU 87 1HB LEU 87 30.204 -23.741 13.387 651 HB3 LEU 87 2HB LEU 87 30.152 -22.413 14.540 652 HG LEU 87 HG LEU 87 29.467 -25.300 15.191 653 HD11 LEU 87 1HD1 LEU 87 31.836 -25.000 14.618 654 HD12 LEU 87 2HD1 LEU 87 31.635 -25.323 16.351 655 HD13 LEU 87 3HD1 LEU 87 31.964 -23.666 15.788 656 HD21 LEU 87 1HD2 LEU 87 29.656 -24.530 17.554 657 HD22 LEU 87 2HD2 LEU 87 28.307 -23.757 16.702 658 HD23 LEU 87 3HD2 LEU 87 29.819 -22.854 16.980 659 H ALA 88 H ALA 88 28.060 -20.610 14.261 660 HA ALA 88 HA ALA 88 27.258 -20.001 11.569 661 HB1 ALA 88 1HB ALA 88 26.346 -18.915 13.645 662 HB2 ALA 88 2HB ALA 88 27.913 -18.094 13.845 663 HB3 ALA 88 3HB ALA 88 26.906 -17.762 12.413 664 HA PRO 89 HA PRO 89 31.248 -18.677 10.069 665 HB2 PRO 89 1HB PRO 89 30.518 -17.140 7.954 666 HB3 PRO 89 2HB PRO 89 30.286 -18.910 7.942 667 HG2 PRO 89 1HG PRO 89 28.314 -16.739 8.616 668 HG3 PRO 89 2HG PRO 89 28.131 -18.104 7.469 669 HD2 PRO 89 1HD PRO 89 27.168 -18.209 9.999 670 HD3 PRO 89 2HD PRO 89 27.838 -19.659 9.177 671 HA PRO 90 HA PRO 90 31.805 -14.808 11.992 672 HB2 PRO 90 1HB PRO 90 33.773 -13.498 10.629 673 HB3 PRO 90 2HB PRO 90 34.079 -15.006 11.547 674 HG2 PRO 90 1HG PRO 90 33.548 -14.671 8.606 675 HG3 PRO 90 2HG PRO 90 34.878 -15.555 9.419 676 HD2 PRO 90 1HD PRO 90 32.670 -16.824 8.521 677 HD3 PRO 90 2HD PRO 90 33.465 -17.328 10.047 678 H LYS 91 H LYS 91 31.400 -12.544 12.005 679 HA LYS 91 HA LYS 91 29.637 -11.609 9.822 680 HB2 LYS 91 1HB LYS 91 29.295 -9.644 11.351 681 HB3 LYS 91 2HB LYS 91 28.811 -11.187 12.054 682 HG2 LYS 91 1HG LYS 91 30.814 -11.253 13.445 683 HG3 LYS 91 2HG LYS 91 31.458 -9.810 12.647 684 HD2 LYS 91 1HD LYS 91 30.558 -9.171 14.804 685 HD3 LYS 91 2HD LYS 91 29.540 -8.479 13.536 686 HE2 LYS 91 1HE LYS 91 27.839 -10.229 13.892 687 HE3 LYS 91 2HE LYS 91 28.895 -11.032 15.078 688 HZ1 LYS 91 1HZ LYS 91 28.726 -9.086 16.484 689 HZ2 LYS 91 2HZ LYS 91 27.217 -9.661 16.154 690 HZ3 LYS 91 3HZ LYS 91 27.750 -8.310 15.383 691 HA PRO 92 HA PRO 92 33.007 -9.330 8.069 692 HB2 PRO 92 1HB PRO 92 31.765 -7.132 6.980 693 HB3 PRO 92 2HB PRO 92 31.614 -8.776 6.286 694 HG2 PRO 92 1HG PRO 92 29.755 -7.309 8.079 695 HG3 PRO 92 2HG PRO 92 29.402 -8.220 6.593 696 HD2 PRO 92 1HD PRO 92 29.037 -9.225 9.080 697 HD3 PRO 92 2HD PRO 92 29.528 -10.259 7.694 698 HA PRO 93 HA PRO 93 34.143 -6.484 11.189 699 HB2 PRO 93 1HB PRO 93 35.918 -4.772 10.038 700 HB3 PRO 93 2HB PRO 93 36.268 -6.523 10.209 701 HG2 PRO 93 1HG PRO 93 35.161 -5.047 7.838 702 HG3 PRO 93 2HG PRO 93 36.573 -6.148 7.919 703 HD2 PRO 93 1HD PRO 93 34.150 -7.013 7.120 704 HD3 PRO 93 2HD PRO 93 35.220 -8.054 8.122 705 H LEU 94 H LEU 94 34.372 -4.100 11.794 706 HA LEU 94 HA LEU 94 32.432 -2.371 10.353 707 HB2 LEU 94 1HB LEU 94 32.458 -3.197 13.265 708 HB3 LEU 94 2HB LEU 94 31.857 -1.610 12.819 709 HG LEU 94 HG LEU 94 30.713 -4.256 11.878 710 HD11 LEU 94 1HD1 LEU 94 29.595 -2.110 13.696 711 HD12 LEU 94 2HD1 LEU 94 30.282 -3.663 14.247 712 HD13 LEU 94 3HD1 LEU 94 28.811 -3.644 13.247 713 HD21 LEU 94 1HD2 LEU 94 29.775 -1.401 11.360 714 HD22 LEU 94 2HD2 LEU 94 28.863 -2.875 10.968 715 HD23 LEU 94 3HD2 LEU 94 30.393 -2.552 10.150 716 HA PRO 95 HA PRO 95 35.577 0.672 11.077 717 HB2 PRO 95 1HB PRO 95 34.162 2.995 11.278 718 HB3 PRO 95 2HB PRO 95 34.249 2.075 9.742 719 HG2 PRO 95 1HG PRO 95 32.102 2.043 11.845 720 HG3 PRO 95 2HG PRO 95 31.948 2.272 10.073 721 HD2 PRO 95 1HD PRO 95 31.553 -0.124 11.270 722 HD3 PRO 95 2HD PRO 95 32.286 -0.006 9.640 723 H GLU 96 H GLU 96 35.884 2.728 12.662 724 HA GLU 96 HA GLU 96 36.322 3.471 14.675 725 HB2 GLU 96 1HB GLU 96 33.763 3.254 14.852 726 HB3 GLU 96 2HB GLU 96 34.117 1.887 15.908 727 HG2 GLU 96 1HG GLU 96 35.473 3.401 17.317 728 HG3 GLU 96 2HG GLU 96 34.981 4.757 16.301 729 H GLY 97 H GLY 97 36.409 0.339 14.030 730 HA2 GLY 97 1HA GLY 97 38.275 -0.263 16.288 731 HA3 GLY 97 2HA GLY 97 37.508 -1.480 15.244 732 H GLU 98 H GLU 98 38.374 1.197 13.445 733 HA GLU 98 HA GLU 98 40.403 -0.275 12.008 734 HB2 GLU 98 1HB GLU 98 38.774 1.302 10.962 735 HB3 GLU 98 2HB GLU 98 39.587 2.645 11.778 736 HG2 GLU 98 1HG GLU 98 41.648 2.188 10.549 737 HG3 GLU 98 2HG GLU 98 40.923 0.746 9.816 738 H VAL 99 H VAL 99 42.595 -0.127 12.148 739 HA VAL 99 HA VAL 99 43.703 1.275 14.425 740 HB VAL 99 HB VAL 99 45.226 -0.226 12.239 741 HG11 VAL 99 1HG1 VAL 99 46.664 1.148 13.762 742 HG12 VAL 99 2HG1 VAL 99 45.931 0.374 15.183 743 HG13 VAL 99 3HG1 VAL 99 46.922 -0.573 14.057 744 HG21 VAL 99 1HG2 VAL 99 43.524 -1.788 13.113 745 HG22 VAL 99 2HG2 VAL 99 45.070 -2.219 13.835 746 HG23 VAL 99 3HG2 VAL 99 43.874 -1.320 14.785 747 HXT VAL 99 H02 VAL 99 42.838 3.057 13.560 Start of MODEL 20 1 H2 GLY 1 2H0 GLY 1 7.577 -3.847 -7.064 2 H GLY 1 1H0 GLY 1 8.670 -2.678 -6.705 3 HA2 GLY 1 1HA GLY 1 6.518 -1.626 -6.871 4 HA3 GLY 1 2HA GLY 1 5.859 -2.820 -5.726 5 H SER 2 H SER 2 8.606 -2.523 -4.446 6 HA SER 2 HA SER 2 7.834 -0.884 -2.252 7 HB2 SER 2 1HB SER 2 10.669 -1.584 -3.081 8 HB3 SER 2 2HB SER 2 10.069 -1.258 -1.441 9 HG SER 2 HG SER 2 10.278 -3.513 -1.881 10 H MET 3 H MET 3 7.680 1.281 -2.142 11 HA MET 3 HA MET 3 9.096 2.897 -4.178 12 HB2 MET 3 1HB MET 3 6.568 3.062 -3.407 13 HB3 MET 3 2HB MET 3 7.251 4.074 -2.129 14 HG2 MET 3 1HG MET 3 8.460 5.262 -4.171 15 HG3 MET 3 2HG MET 3 7.128 4.546 -5.093 16 HE1 MET 3 1HE MET 3 6.127 6.872 -5.867 17 HE2 MET 3 2HE MET 3 5.908 8.254 -4.769 18 HE3 MET 3 3HE MET 3 7.544 7.640 -5.112 19 H LYS 4 H LYS 4 9.664 1.852 -1.031 20 HA LYS 4 HA LYS 4 11.836 3.832 -0.691 21 HB2 LYS 4 1HB LYS 4 9.654 3.296 1.387 22 HB3 LYS 4 2HB LYS 4 11.265 3.872 1.818 23 HG2 LYS 4 1HG LYS 4 10.314 5.906 1.697 24 HG3 LYS 4 2HG LYS 4 10.613 5.723 -0.037 25 HD2 LYS 4 1HD LYS 4 8.262 4.658 -0.159 26 HD3 LYS 4 2HD LYS 4 8.028 5.253 1.492 27 HE2 LYS 4 1HE LYS 4 7.103 6.889 -0.016 28 HE3 LYS 4 2HE LYS 4 8.604 7.563 0.658 29 HZ1 LYS 4 1HZ LYS 4 8.215 6.388 -2.035 30 HZ2 LYS 4 2HZ LYS 4 9.706 6.706 -1.419 31 HZ3 LYS 4 3HZ LYS 4 8.636 7.941 -1.673 32 H TYR 5 H TYR 5 13.591 2.615 -0.133 33 HA TYR 5 HA TYR 5 14.861 0.797 0.260 34 HB2 TYR 5 1HB TYR 5 12.665 0.423 2.300 35 HB3 TYR 5 2HB TYR 5 14.023 -0.660 2.174 36 HD1 TYR 5 HD1 TYR 5 12.920 1.929 4.096 37 HD2 TYR 5 HD2 TYR 5 16.402 0.839 1.802 38 HE1 TYR 5 HE1 TYR 5 14.347 3.412 5.519 39 HE2 TYR 5 HE2 TYR 5 17.798 2.324 3.219 40 HH TYR 5 HH TYR 5 17.876 3.719 4.992 41 H LEU 6 H LEU 6 14.761 -1.765 0.611 42 HA LEU 6 HA LEU 6 13.642 -2.721 -1.912 43 HB2 LEU 6 1HB LEU 6 15.079 -4.200 0.316 44 HB3 LEU 6 2HB LEU 6 14.745 -4.823 -1.289 45 HG LEU 6 HG LEU 6 16.613 -2.523 -0.710 46 HD11 LEU 6 1HD1 LEU 6 17.433 -4.657 0.224 47 HD12 LEU 6 2HD1 LEU 6 18.407 -4.159 -1.174 48 HD13 LEU 6 3HD1 LEU 6 17.193 -5.446 -1.354 49 HD21 LEU 6 1HD2 LEU 6 17.379 -2.894 -3.031 50 HD22 LEU 6 2HD2 LEU 6 15.678 -2.397 -2.967 51 HD23 LEU 6 3HD2 LEU 6 16.092 -4.103 -3.254 52 H ASN 7 H ASN 7 12.993 -3.195 1.531 53 HA ASN 7 HA ASN 7 11.332 -4.231 2.702 54 HB2 ASN 7 1HB ASN 7 9.624 -3.717 0.236 55 HB3 ASN 7 2HB ASN 7 9.032 -4.082 1.858 56 HD21 ASN 7 1HD2 ASN 7 10.521 -0.771 2.925 57 HD22 ASN 7 2HD2 ASN 7 11.022 -2.417 3.224 58 H VAL 8 H VAL 8 12.970 -6.175 1.756 59 HA VAL 8 HA VAL 8 11.106 -8.264 0.699 60 HB VAL 8 HB VAL 8 12.774 -9.131 -0.598 61 HG11 VAL 8 1HG1 VAL 8 14.276 -6.575 0.052 62 HG12 VAL 8 2HG1 VAL 8 14.390 -7.551 -1.430 63 HG13 VAL 8 3HG1 VAL 8 12.889 -6.674 -1.075 64 HG21 VAL 8 1HG2 VAL 8 14.659 -8.591 1.695 65 HG22 VAL 8 2HG2 VAL 8 14.100 -10.148 1.067 66 HG23 VAL 8 3HG2 VAL 8 15.228 -9.160 0.122 67 H LEU 9 H LEU 9 11.441 -10.457 1.667 68 HA LEU 9 HA LEU 9 12.067 -10.168 4.569 69 HB2 LEU 9 1HB LEU 9 10.621 -12.371 3.064 70 HB3 LEU 9 2HB LEU 9 10.878 -12.317 4.804 71 HG LEU 9 HG LEU 9 9.196 -10.360 3.197 72 HD11 LEU 9 1HD1 LEU 9 8.217 -12.617 3.368 73 HD12 LEU 9 2HD1 LEU 9 7.300 -11.437 4.327 74 HD13 LEU 9 3HD1 LEU 9 8.406 -12.570 5.139 75 HD21 LEU 9 1HD2 LEU 9 8.419 -9.568 5.434 76 HD22 LEU 9 2HD2 LEU 9 10.130 -9.221 5.139 77 HD23 LEU 9 3HD2 LEU 9 9.669 -10.573 6.198 78 H ALA 10 H ALA 10 13.637 -11.362 5.572 79 HA ALA 10 HA ALA 10 15.116 -13.351 3.891 80 HB1 ALA 10 1HB ALA 10 16.371 -11.176 5.614 81 HB2 ALA 10 2HB ALA 10 17.239 -12.454 4.724 82 HB3 ALA 10 3HB ALA 10 16.337 -11.213 3.835 83 H LYS 11 H LYS 11 15.916 -15.123 5.021 84 HA LYS 11 HA LYS 11 14.948 -15.354 7.840 85 HB2 LYS 11 1HB LYS 11 14.102 -17.073 6.379 86 HB3 LYS 11 2HB LYS 11 15.711 -17.444 5.768 87 HG2 LYS 11 1HG LYS 11 16.362 -18.521 7.741 88 HG3 LYS 11 2HG LYS 11 15.118 -17.726 8.715 89 HD2 LYS 11 1HD LYS 11 14.425 -19.713 6.542 90 HD3 LYS 11 2HD LYS 11 14.804 -20.202 8.210 91 HE2 LYS 11 1HE LYS 11 13.037 -18.236 8.733 92 HE3 LYS 11 2HE LYS 11 12.432 -18.729 7.145 93 HZ1 LYS 11 1HZ LYS 11 11.341 -19.924 8.921 94 HZ2 LYS 11 2HZ LYS 11 12.771 -20.483 9.509 95 HZ3 LYS 11 3HZ LYS 11 12.233 -20.994 8.033 96 H ALA 12 H ALA 12 16.290 -15.714 9.493 97 HA ALA 12 HA ALA 12 19.167 -15.445 9.143 98 HB1 ALA 12 1HB ALA 12 19.167 -15.764 11.590 99 HB2 ALA 12 2HB ALA 12 17.956 -14.573 11.113 100 HB3 ALA 12 3HB ALA 12 17.458 -16.221 11.545 101 H LEU 13 H LEU 13 20.620 -17.081 8.728 102 HA LEU 13 HA LEU 13 19.656 -19.890 8.843 103 HB2 LEU 13 1HB LEU 13 22.339 -18.695 8.106 104 HB3 LEU 13 2HB LEU 13 21.949 -20.396 8.038 105 HG LEU 13 HG LEU 13 21.793 -19.937 5.887 106 HD11 LEU 13 1HD1 LEU 13 19.539 -19.650 5.078 107 HD12 LEU 13 2HD1 LEU 13 19.031 -18.907 6.604 108 HD13 LEU 13 3HD1 LEU 13 19.497 -20.627 6.555 109 HD21 LEU 13 1HD2 LEU 13 21.386 -17.839 4.868 110 HD22 LEU 13 2HD2 LEU 13 22.472 -17.588 6.236 111 HD23 LEU 13 3HD2 LEU 13 20.748 -17.170 6.386 112 H TYR 14 H TYR 14 21.310 -17.600 10.750 113 HA TYR 14 HA TYR 14 22.056 -19.658 12.752 114 HB2 TYR 14 1HB TYR 14 23.886 -17.405 11.832 115 HB3 TYR 14 2HB TYR 14 24.235 -18.611 13.076 116 HD1 TYR 14 HD1 TYR 14 24.740 -20.982 12.425 117 HD2 TYR 14 HD2 TYR 14 24.085 -17.931 9.464 118 HE1 TYR 14 HE1 TYR 14 25.718 -22.453 10.682 119 HE2 TYR 14 HE2 TYR 14 25.034 -19.431 7.712 120 HH TYR 14 HH TYR 14 26.228 -22.708 8.481 121 H ASP 15 H ASP 15 22.476 -18.407 14.884 122 HA ASP 15 HA ASP 15 20.489 -16.246 15.119 123 HB2 ASP 15 1HB ASP 15 21.124 -16.289 17.487 124 HB3 ASP 15 2HB ASP 15 20.797 -17.932 16.915 125 H ASN 16 H ASN 16 21.294 -14.245 16.411 126 HA ASN 16 HA ASN 16 24.089 -13.544 15.819 127 HB2 ASN 16 1HB ASN 16 22.616 -12.787 13.852 128 HB3 ASN 16 2HB ASN 16 21.882 -11.648 14.979 129 HD21 ASN 16 1HD2 ASN 16 24.444 -9.333 14.525 130 HD22 ASN 16 2HD2 ASN 16 22.749 -9.674 14.853 131 H VAL 17 H VAL 17 24.908 -12.254 17.359 132 HA VAL 17 HA VAL 17 23.038 -11.249 19.448 133 HB VAL 17 HB VAL 17 26.030 -11.898 19.598 134 HG11 VAL 17 1HG1 VAL 17 24.103 -10.929 21.763 135 HG12 VAL 17 2HG1 VAL 17 25.790 -11.432 22.028 136 HG13 VAL 17 3HG1 VAL 17 25.442 -9.994 21.051 137 HG21 VAL 17 1HG2 VAL 17 24.648 -13.946 19.538 138 HG22 VAL 17 2HG2 VAL 17 25.335 -13.708 21.158 139 HG23 VAL 17 3HG2 VAL 17 23.628 -13.313 20.848 140 H ALA 18 H ALA 18 22.824 -9.117 19.409 141 HA ALA 18 HA ALA 18 24.350 -7.532 17.506 142 HB1 ALA 18 1HB ALA 18 22.232 -6.800 19.557 143 HB2 ALA 18 2HB ALA 18 22.943 -5.677 18.377 144 HB3 ALA 18 3HB ALA 18 21.996 -7.068 17.813 145 H GLU 19 H GLU 19 26.332 -6.941 17.974 146 HA GLU 19 HA GLU 19 27.086 -6.505 20.846 147 HB2 GLU 19 1HB GLU 19 28.713 -7.095 18.350 148 HB3 GLU 19 2HB GLU 19 29.407 -6.777 19.948 149 HG2 GLU 19 1HG GLU 19 28.220 -8.718 20.860 150 HG3 GLU 19 2HG GLU 19 27.505 -9.045 19.283 151 H SER 20 H SER 20 26.516 -5.019 17.822 152 HA SER 20 HA SER 20 27.862 -2.492 18.706 153 HB2 SER 20 1HB SER 20 26.782 -3.335 15.983 154 HB3 SER 20 2HB SER 20 27.604 -1.802 16.347 155 HG SER 20 HG SER 20 28.812 -4.281 16.942 156 HA PRO 21 HA PRO 21 23.898 -1.004 19.707 157 HB2 PRO 21 1HB PRO 21 24.103 1.692 19.241 158 HB3 PRO 21 2HB PRO 21 24.975 0.862 20.572 159 HG2 PRO 21 1HG PRO 21 25.986 1.584 17.826 160 HG3 PRO 21 2HG PRO 21 26.733 1.896 19.424 161 HD2 PRO 21 1HD PRO 21 27.503 -0.161 17.930 162 HD3 PRO 21 2HD PRO 21 27.368 -0.299 19.719 163 H ASP 22 H ASP 22 25.036 -0.713 16.447 164 HA ASP 22 HA ASP 22 22.396 0.216 15.480 165 HB2 ASP 22 1HB ASP 22 25.030 0.645 14.653 166 HB3 ASP 22 2HB ASP 22 24.407 -0.503 13.479 167 H GLU 23 H GLU 23 23.815 -2.673 16.337 168 HA GLU 23 HA GLU 23 23.003 -4.166 13.945 169 HB2 GLU 23 1HB GLU 23 25.178 -4.442 15.200 170 HB3 GLU 23 2HB GLU 23 24.253 -5.177 16.510 171 HG2 GLU 23 1HG GLU 23 23.524 -6.961 14.987 172 HG3 GLU 23 2HG GLU 23 24.389 -6.184 13.657 173 H LEU 24 H LEU 24 21.638 -6.001 13.986 174 HA LEU 24 HA LEU 24 19.553 -5.924 16.129 175 HB2 LEU 24 1HB LEU 24 19.573 -7.165 13.372 176 HB3 LEU 24 2HB LEU 24 18.310 -7.462 14.557 177 HG LEU 24 HG LEU 24 18.999 -4.780 13.314 178 HD11 LEU 24 1HD1 LEU 24 16.680 -6.693 12.911 179 HD12 LEU 24 2HD1 LEU 24 17.930 -6.250 11.727 180 HD13 LEU 24 3HD1 LEU 24 16.753 -5.039 12.268 181 HD21 LEU 24 1HD2 LEU 24 16.876 -5.578 15.340 182 HD22 LEU 24 2HD2 LEU 24 16.863 -4.051 14.428 183 HD23 LEU 24 3HD2 LEU 24 18.194 -4.392 15.547 184 H SER 25 H SER 25 18.954 -7.674 17.290 185 HA SER 25 HA SER 25 20.727 -10.052 17.125 186 HB2 SER 25 1HB SER 25 19.685 -10.342 19.529 187 HB3 SER 25 2HB SER 25 21.033 -9.214 19.282 188 HG SER 25 HG SER 25 19.348 -8.231 20.456 189 H PHE 26 H PHE 26 19.814 -11.913 16.704 190 HA PHE 26 HA PHE 26 16.930 -12.397 17.071 191 HB2 PHE 26 1HB PHE 26 16.634 -13.068 14.672 192 HB3 PHE 26 2HB PHE 26 16.795 -11.337 14.947 193 HD1 PHE 26 HD1 PHE 26 18.362 -10.070 13.801 194 HD2 PHE 26 HD2 PHE 26 18.802 -14.348 13.939 195 HE1 PHE 26 HE1 PHE 26 20.170 -9.936 12.119 196 HE2 PHE 26 HE2 PHE 26 20.639 -14.217 12.270 197 HZ PHE 26 HZ PHE 26 21.308 -12.027 11.335 198 H ARG 27 H ARG 27 16.391 -14.670 16.157 199 HA ARG 27 HA ARG 27 18.649 -16.475 16.916 200 HB2 ARG 27 1HB ARG 27 16.549 -16.413 18.327 201 HB3 ARG 27 2HB ARG 27 15.638 -16.948 16.916 202 HG2 ARG 27 1HG ARG 27 15.968 -18.856 18.266 203 HG3 ARG 27 2HG ARG 27 17.063 -19.035 16.901 204 HD2 ARG 27 1HD ARG 27 18.926 -18.135 18.348 205 HD3 ARG 27 2HD ARG 27 17.802 -18.132 19.717 206 HE ARG 27 HE ARG 27 19.110 -20.441 18.470 207 HH11 ARG 27 1HH1 ARG 27 16.471 -19.457 20.611 208 HH12 ARG 27 2HH1 ARG 27 16.328 -21.051 21.301 209 HH21 ARG 27 1HH2 ARG 27 18.858 -22.436 19.400 210 HH22 ARG 27 2HH2 ARG 27 17.639 -22.708 20.611 211 H LYS 28 H LYS 28 18.819 -18.485 15.677 212 HA LYS 28 HA LYS 28 18.661 -18.264 12.856 213 HB2 LYS 28 1HB LYS 28 20.064 -19.928 13.982 214 HB3 LYS 28 2HB LYS 28 18.651 -20.659 14.744 215 HG2 LYS 28 1HG LYS 28 17.843 -21.463 12.607 216 HG3 LYS 28 2HG LYS 28 19.152 -20.637 11.762 217 HD2 LYS 28 1HD LYS 28 20.808 -22.018 12.974 218 HD3 LYS 28 2HD LYS 28 19.488 -22.849 13.826 219 HE2 LYS 28 1HE LYS 28 18.629 -23.709 11.692 220 HE3 LYS 28 2HE LYS 28 19.898 -22.826 10.808 221 HZ1 LYS 28 1HZ LYS 28 21.545 -24.168 11.767 222 HZ2 LYS 28 2HZ LYS 28 20.390 -25.215 11.271 223 HZ3 LYS 28 3HZ LYS 28 20.519 -24.844 12.873 224 H GLY 29 H GLY 29 17.058 -18.528 11.432 225 HA2 GLY 29 1HA GLY 29 15.097 -19.533 10.611 226 HA3 GLY 29 2HA GLY 29 14.613 -19.985 12.246 227 H ASP 30 H ASP 30 15.528 -16.848 12.622 228 HA ASP 30 HA ASP 30 12.761 -15.955 12.699 229 HB2 ASP 30 1HB ASP 30 14.900 -15.306 14.152 230 HB3 ASP 30 2HB ASP 30 15.100 -14.072 12.903 231 H ILE 31 H ILE 31 12.108 -13.877 11.648 232 HA ILE 31 HA ILE 31 13.264 -13.669 8.877 233 HB ILE 31 HB ILE 31 10.335 -13.377 9.713 234 HG12 ILE 31 1HG1 ILE 31 10.958 -15.728 9.636 235 HG13 ILE 31 2HG1 ILE 31 9.924 -15.322 8.272 236 HG21 ILE 31 1HG2 ILE 31 11.750 -12.967 7.033 237 HG22 ILE 31 2HG2 ILE 31 9.986 -13.199 7.175 238 HG23 ILE 31 3HG2 ILE 31 10.760 -11.801 7.943 239 HD11 ILE 31 1HD1 ILE 31 12.138 -15.103 6.907 240 HD12 ILE 31 2HD1 ILE 31 12.854 -15.991 8.273 241 HD13 ILE 31 3HD1 ILE 31 11.531 -16.711 7.334 242 H MET 32 H MET 32 14.001 -11.683 8.419 243 HA MET 32 HA MET 32 12.771 -9.377 9.884 244 HB2 MET 32 1HB MET 32 14.969 -8.238 9.715 245 HB3 MET 32 2HB MET 32 14.981 -9.648 10.754 246 HG2 MET 32 1HG MET 32 15.761 -10.766 8.386 247 HG3 MET 32 2HG MET 32 16.473 -9.155 8.284 248 HE1 MET 32 1HE MET 32 16.348 -12.623 10.036 249 HE2 MET 32 2HE MET 32 17.293 -12.388 11.522 250 HE3 MET 32 3HE MET 32 15.678 -11.660 11.376 251 H THR 33 H THR 33 12.711 -7.422 8.760 252 HA THR 33 HA THR 33 12.219 -7.847 5.858 253 HB THR 33 HB THR 33 11.749 -5.428 7.667 254 HG1 THR 33 HG1 THR 33 10.362 -7.109 8.176 255 HG21 THR 33 1HG2 THR 33 10.965 -5.998 4.788 256 HG22 THR 33 2HG2 THR 33 11.993 -4.670 5.399 257 HG23 THR 33 3HG2 THR 33 10.258 -4.702 5.783 258 H VAL 34 H VAL 34 13.943 -7.584 4.528 259 HA VAL 34 HA VAL 34 16.236 -5.973 5.360 260 HB VAL 34 HB VAL 34 15.671 -7.172 2.642 261 HG11 VAL 34 1HG1 VAL 34 18.155 -7.083 2.405 262 HG12 VAL 34 2HG1 VAL 34 17.424 -5.475 2.561 263 HG13 VAL 34 3HG1 VAL 34 18.247 -6.212 3.955 264 HG21 VAL 34 1HG2 VAL 34 17.190 -9.001 3.429 265 HG22 VAL 34 2HG2 VAL 34 17.075 -8.328 5.064 266 HG23 VAL 34 3HG2 VAL 34 15.622 -8.956 4.249 267 H LEU 35 H LEU 35 16.467 -3.913 5.067 268 HA LEU 35 HA LEU 35 14.501 -2.481 3.375 269 HB2 LEU 35 1HB LEU 35 16.518 -1.549 5.433 270 HB3 LEU 35 2HB LEU 35 15.374 -0.506 4.601 271 HG LEU 35 HG LEU 35 14.590 -2.821 6.408 272 HD11 LEU 35 1HD1 LEU 35 14.815 0.144 6.909 273 HD12 LEU 35 2HD1 LEU 35 15.702 -1.185 7.699 274 HD13 LEU 35 3HD1 LEU 35 13.960 -0.998 7.972 275 HD21 LEU 35 1HD2 LEU 35 12.359 -1.720 6.386 276 HD22 LEU 35 2HD2 LEU 35 12.843 -2.309 4.788 277 HD23 LEU 35 3HD2 LEU 35 12.957 -0.572 5.163 278 H GLU 36 H GLU 36 18.055 -2.721 3.988 279 HA GLU 36 HA GLU 36 18.413 -2.498 1.092 280 HB2 GLU 36 1HB GLU 36 19.696 -0.581 0.965 281 HB3 GLU 36 2HB GLU 36 18.348 -0.128 1.985 282 HG2 GLU 36 1HG GLU 36 19.807 -0.458 3.924 283 HG3 GLU 36 2HG GLU 36 21.147 -0.629 2.786 284 H ARG 37 H ARG 37 20.932 -2.550 0.642 285 HA ARG 37 HA ARG 37 22.175 -4.396 2.646 286 HB2 ARG 37 1HB ARG 37 22.380 -4.534 -0.373 287 HB3 ARG 37 2HB ARG 37 23.170 -5.617 0.776 288 HG2 ARG 37 1HG ARG 37 20.845 -6.372 1.498 289 HG3 ARG 37 2HG ARG 37 20.216 -5.450 0.111 290 HD2 ARG 37 1HD ARG 37 22.129 -7.789 0.090 291 HD3 ARG 37 2HD ARG 37 20.525 -7.709 -0.656 292 HE ARG 37 HE ARG 37 21.886 -5.672 -1.890 293 HH11 ARG 37 1HH1 ARG 37 22.773 -9.054 -1.427 294 HH12 ARG 37 2HH1 ARG 37 23.795 -9.069 -2.839 295 HH21 ARG 37 1HH2 ARG 37 23.205 -5.761 -3.656 296 HH22 ARG 37 2HH2 ARG 37 24.026 -7.234 -4.084 297 H ASP 38 H ASP 38 24.444 -4.168 2.731 298 HA ASP 38 HA ASP 38 26.402 -3.059 2.709 299 HB2 ASP 38 1HB ASP 38 25.640 -2.201 -0.094 300 HB3 ASP 38 2HB ASP 38 27.270 -2.422 0.563 301 H THR 39 H THR 39 24.192 -1.942 3.838 302 HA THR 39 HA THR 39 23.639 0.772 3.195 303 HB THR 39 HB THR 39 22.112 -0.579 4.531 304 HG1 THR 39 HG1 THR 39 21.836 1.505 5.058 305 HG21 THR 39 1HG2 THR 39 22.621 -1.122 6.864 306 HG22 THR 39 2HG2 THR 39 24.322 -0.734 6.548 307 HG23 THR 39 3HG2 THR 39 23.519 -2.061 5.667 308 H GLN 40 H GLN 40 24.334 2.679 4.095 309 HA GLN 40 HA GLN 40 25.835 4.191 4.850 310 HB2 GLN 40 1HB GLN 40 26.703 2.295 7.012 311 HB3 GLN 40 2HB GLN 40 26.564 4.048 7.058 312 HG2 GLN 40 1HG GLN 40 24.039 3.670 6.771 313 HG3 GLN 40 2HG GLN 40 24.366 1.974 7.129 314 HE21 GLN 40 1HE2 GLN 40 24.248 2.452 10.551 315 HE22 GLN 40 2HE2 GLN 40 24.077 1.413 9.157 316 H GLY 41 H GLY 41 26.825 1.774 3.098 317 HA2 GLY 41 1HA GLY 41 28.834 1.559 1.930 318 HA3 GLY 41 2HA GLY 41 29.618 2.680 3.061 319 H LEU 42 H LEU 42 27.784 0.236 4.641 320 HA LEU 42 HA LEU 42 30.277 -1.065 5.519 321 HB2 LEU 42 1HB LEU 42 27.388 -1.443 6.339 322 HB3 LEU 42 2HB LEU 42 28.789 -2.100 7.163 323 HG LEU 42 HG LEU 42 28.276 0.871 6.912 324 HD11 LEU 42 1HD1 LEU 42 27.455 -1.079 9.082 325 HD12 LEU 42 2HD1 LEU 42 26.379 -0.182 7.978 326 HD13 LEU 42 3HD1 LEU 42 27.341 0.698 9.184 327 HD21 LEU 42 1HD2 LEU 42 29.753 0.977 8.872 328 HD22 LEU 42 2HD2 LEU 42 30.580 0.180 7.518 329 HD23 LEU 42 3HD2 LEU 42 29.925 -0.788 8.862 330 H ASP 43 H ASP 43 30.806 -2.175 3.606 331 HA ASP 43 HA ASP 43 29.013 -3.691 2.027 332 HB2 ASP 43 1HB ASP 43 31.977 -3.903 2.570 333 HB3 ASP 43 2HB ASP 43 31.149 -5.113 1.576 334 H GLY 44 H GLY 44 27.996 -5.562 2.237 335 HA2 GLY 44 1HA GLY 44 27.711 -7.771 2.982 336 HA3 GLY 44 2HA GLY 44 29.039 -7.574 4.131 337 H TRP 45 H TRP 45 27.474 -4.900 4.978 338 HA TRP 45 HA TRP 45 25.824 -6.305 6.982 339 HB2 TRP 45 1HB TRP 45 26.858 -3.514 6.542 340 HB3 TRP 45 2HB TRP 45 25.655 -3.823 7.751 341 HD1 TRP 45 HD1 TRP 45 29.347 -3.967 7.193 342 HE1 TRP 45 HE1 TRP 45 30.587 -4.929 9.190 343 HE3 TRP 45 HE3 TRP 45 25.285 -5.810 9.647 344 HZ2 TRP 45 HZ2 TRP 45 29.870 -6.420 11.554 345 HZ3 TRP 45 HZ3 TRP 45 25.609 -6.980 11.819 346 HH2 TRP 45 HH2 TRP 45 27.874 -7.294 12.744 347 H TRP 46 H TRP 46 23.639 -6.397 6.842 348 HA TRP 46 HA TRP 46 22.380 -4.803 4.635 349 HB2 TRP 46 1HB TRP 46 21.569 -7.470 5.848 350 HB3 TRP 46 2HB TRP 46 20.648 -6.592 4.621 351 HD1 TRP 46 HD1 TRP 46 24.077 -6.081 3.537 352 HE1 TRP 46 HE1 TRP 46 24.907 -7.738 1.819 353 HE3 TRP 46 HE3 TRP 46 20.390 -9.602 4.142 354 HZ2 TRP 46 HZ2 TRP 46 24.096 -10.296 0.827 355 HZ3 TRP 46 HZ3 TRP 46 20.518 -11.687 2.782 356 HH2 TRP 46 HH2 TRP 46 22.327 -12.006 1.114 357 H LEU 47 H LEU 47 20.945 -3.301 5.195 358 HA LEU 47 HA LEU 47 20.273 -2.887 8.011 359 HB2 LEU 47 1HB LEU 47 20.583 -1.001 6.423 360 HB3 LEU 47 2HB LEU 47 19.255 -1.607 5.450 361 HG LEU 47 HG LEU 47 17.692 -1.129 7.256 362 HD11 LEU 47 1HD1 LEU 47 18.440 0.248 9.200 363 HD12 LEU 47 2HD1 LEU 47 20.121 -0.112 8.749 364 HD13 LEU 47 3HD1 LEU 47 19.015 -1.424 9.227 365 HD21 LEU 47 1HD2 LEU 47 18.179 0.582 5.560 366 HD22 LEU 47 2HD2 LEU 47 19.490 1.224 6.575 367 HD23 LEU 47 3HD2 LEU 47 17.799 1.324 7.125 368 H CYS 48 H CYS 48 18.672 -3.933 9.014 369 HA CYS 48 HA CYS 48 16.303 -4.686 7.375 370 HB2 CYS 48 1HB CYS 48 17.540 -6.507 9.466 371 HB3 CYS 48 2HB CYS 48 16.215 -6.871 8.366 372 HG CYS 48 HG CYS 48 19.386 -6.272 7.644 373 H SER 49 H SER 49 14.500 -5.420 8.813 374 HA SER 49 HA SER 49 14.528 -3.914 11.381 375 HB2 SER 49 1HB SER 49 12.824 -2.624 10.747 376 HB3 SER 49 2HB SER 49 13.171 -3.125 9.100 377 HG SER 49 HG SER 49 10.984 -3.462 9.637 378 H LEU 50 H LEU 50 13.873 -5.041 13.064 379 HA LEU 50 HA LEU 50 12.186 -7.473 12.721 380 HB2 LEU 50 1HB LEU 50 14.627 -8.141 12.582 381 HB3 LEU 50 2HB LEU 50 14.852 -7.455 14.190 382 HG LEU 50 HG LEU 50 12.659 -9.246 14.380 383 HD11 LEU 50 1HD1 LEU 50 13.550 -11.312 13.599 384 HD12 LEU 50 2HD1 LEU 50 15.014 -10.497 12.999 385 HD13 LEU 50 3HD1 LEU 50 13.426 -10.164 12.254 386 HD21 LEU 50 1HD2 LEU 50 14.213 -10.538 15.828 387 HD22 LEU 50 2HD2 LEU 50 14.215 -8.796 16.192 388 HD23 LEU 50 3HD2 LEU 50 15.552 -9.508 15.263 389 H HIS 51 H HIS 51 10.792 -7.639 14.461 390 HA HIS 51 HA HIS 51 9.628 -6.976 16.330 391 HB2 HIS 51 1HB HIS 51 12.471 -6.806 17.374 392 HB3 HIS 51 2HB HIS 51 11.073 -6.468 18.394 393 HD1 HIS 51 HD1 HIS 51 11.008 -8.439 19.927 394 HD2 HIS 51 HD2 HIS 51 11.351 -9.536 15.924 395 HE1 HIS 51 HE1 HIS 51 10.756 -10.953 19.828 396 H GLY 52 H GLY 52 10.225 -4.875 14.338 397 HA2 GLY 52 1HA GLY 52 9.662 -2.636 14.183 398 HA3 GLY 52 2HA GLY 52 9.318 -2.636 15.918 399 H ARG 53 H ARG 53 12.467 -3.793 15.211 400 HA ARG 53 HA ARG 53 13.631 -1.122 15.901 401 HB2 ARG 53 1HB ARG 53 13.751 -3.395 17.394 402 HB3 ARG 53 2HB ARG 53 15.107 -3.708 16.321 403 HG2 ARG 53 1HG ARG 53 14.856 -1.134 17.916 404 HG3 ARG 53 2HG ARG 53 15.587 -2.603 18.577 405 HD2 ARG 53 1HD ARG 53 17.107 -2.566 16.483 406 HD3 ARG 53 2HD ARG 53 16.576 -0.884 16.299 407 HE ARG 53 HE ARG 53 17.409 -1.297 18.980 408 HH11 ARG 53 1HH1 ARG 53 18.889 -1.055 15.756 409 HH12 ARG 53 2HH1 ARG 53 20.422 -0.553 16.438 410 HH21 ARG 53 1HH2 ARG 53 19.388 -0.637 19.710 411 HH22 ARG 53 2HH2 ARG 53 20.692 -0.312 18.587 412 H GLN 54 H GLN 54 15.224 -0.433 14.511 413 HA GLN 54 HA GLN 54 15.662 -2.114 12.086 414 HB2 GLN 54 1HB GLN 54 15.143 0.693 12.555 415 HB3 GLN 54 2HB GLN 54 16.704 0.493 11.742 416 HG2 GLN 54 1HG GLN 54 15.630 -0.823 10.006 417 HG3 GLN 54 2HG GLN 54 14.074 -0.675 10.838 418 HE21 GLN 54 1HE2 GLN 54 15.650 2.714 9.094 419 HE22 GLN 54 2HE2 GLN 54 16.720 1.538 9.815 420 H GLY 55 H GLY 55 17.785 -2.493 11.348 421 HA2 GLY 55 1HA GLY 55 20.063 -1.202 12.420 422 HA3 GLY 55 2HA GLY 55 19.781 -2.663 13.372 423 H ILE 56 H ILE 56 22.124 -2.509 12.119 424 HA ILE 56 HA ILE 56 21.933 -3.754 9.461 425 HB ILE 56 HB ILE 56 24.400 -3.722 9.451 426 HG12 ILE 56 1HG1 ILE 56 24.113 -2.769 12.355 427 HG13 ILE 56 2HG1 ILE 56 24.727 -4.340 11.851 428 HG21 ILE 56 1HG2 ILE 56 22.967 -1.604 9.071 429 HG22 ILE 56 2HG2 ILE 56 23.463 -1.083 10.705 430 HG23 ILE 56 3HG2 ILE 56 24.682 -1.351 9.435 431 HD11 ILE 56 1HD1 ILE 56 26.617 -3.031 12.397 432 HD12 ILE 56 2HD1 ILE 56 26.568 -3.069 10.621 433 HD13 ILE 56 3HD1 ILE 56 26.013 -1.623 11.497 434 H VAL 57 H VAL 57 22.820 -5.776 8.947 435 HA VAL 57 HA VAL 57 23.055 -7.754 11.171 436 HB VAL 57 HB VAL 57 21.330 -8.085 8.703 437 HG11 VAL 57 1HG1 VAL 57 21.914 -9.965 10.923 438 HG12 VAL 57 2HG1 VAL 57 20.596 -10.188 9.759 439 HG13 VAL 57 3HG1 VAL 57 22.278 -10.172 9.196 440 HG21 VAL 57 1HG2 VAL 57 19.422 -8.245 10.314 441 HG22 VAL 57 2HG2 VAL 57 20.554 -7.731 11.589 442 HG23 VAL 57 3HG2 VAL 57 20.173 -6.639 10.241 443 HA PRO 58 HA PRO 58 26.322 -8.824 8.337 444 HB2 PRO 58 1HB PRO 58 27.029 -11.325 9.225 445 HB3 PRO 58 2HB PRO 58 27.428 -9.833 10.135 446 HG2 PRO 58 1HG PRO 58 25.135 -11.732 10.548 447 HG3 PRO 58 2HG PRO 58 26.279 -11.069 11.752 448 HD2 PRO 58 1HD PRO 58 23.815 -10.012 11.349 449 HD3 PRO 58 2HD PRO 58 25.210 -8.987 11.767 450 H GLY 59 H GLY 59 25.800 -9.262 6.255 451 HA2 GLY 59 1HA GLY 59 23.559 -10.789 5.466 452 HA3 GLY 59 2HA GLY 59 24.911 -10.319 4.425 453 H ASN 60 H ASN 60 26.808 -11.809 6.236 454 HA ASN 60 HA ASN 60 26.850 -14.280 4.835 455 HB2 ASN 60 1HB ASN 60 28.613 -12.889 6.393 456 HB3 ASN 60 2HB ASN 60 28.166 -14.194 7.502 457 HD21 ASN 60 1HD2 ASN 60 29.356 -16.690 5.030 458 HD22 ASN 60 2HD2 ASN 60 27.847 -16.348 5.856 459 H ARG 61 H ARG 61 24.958 -13.340 7.608 460 HA ARG 61 HA ARG 61 24.439 -16.228 8.222 461 HB2 ARG 61 1HB ARG 61 23.959 -13.747 9.915 462 HB3 ARG 61 2HB ARG 61 23.551 -15.402 10.384 463 HG2 ARG 61 1HG ARG 61 25.976 -15.996 10.180 464 HG3 ARG 61 2HG ARG 61 26.332 -14.276 9.925 465 HD2 ARG 61 1HD ARG 61 25.318 -13.748 12.112 466 HD3 ARG 61 2HD ARG 61 24.942 -15.464 12.343 467 HE ARG 61 HE ARG 61 27.755 -15.081 11.815 468 HH11 ARG 61 1HH1 ARG 61 25.368 -14.878 14.435 469 HH12 ARG 61 2HH1 ARG 61 26.597 -15.065 15.660 470 HH21 ARG 61 1HH2 ARG 61 29.216 -15.341 13.410 471 HH22 ARG 61 2HH2 ARG 61 28.737 -15.321 15.095 472 H LEU 62 H LEU 62 23.233 -14.035 6.202 473 HA LEU 62 HA LEU 62 20.398 -14.680 6.907 474 HB2 LEU 62 1HB LEU 62 21.725 -12.183 6.000 475 HB3 LEU 62 2HB LEU 62 20.192 -12.567 5.231 476 HG LEU 62 HG LEU 62 20.646 -12.207 8.188 477 HD11 LEU 62 1HD1 LEU 62 19.289 -10.185 7.846 478 HD12 LEU 62 2HD1 LEU 62 19.162 -10.562 6.109 479 HD13 LEU 62 3HD1 LEU 62 20.741 -10.156 6.829 480 HD21 LEU 62 1HD2 LEU 62 18.095 -12.193 8.246 481 HD22 LEU 62 2HD2 LEU 62 18.884 -13.753 8.088 482 HD23 LEU 62 3HD2 LEU 62 18.161 -12.988 6.663 483 H LYS 63 H LYS 63 18.931 -15.072 5.358 484 HA LYS 63 HA LYS 63 20.009 -15.480 2.589 485 HB2 LYS 63 1HB LYS 63 19.714 -17.663 3.660 486 HB3 LYS 63 2HB LYS 63 18.059 -17.263 4.104 487 HG2 LYS 63 1HG LYS 63 17.374 -17.233 1.777 488 HG3 LYS 63 2HG LYS 63 19.047 -17.432 1.229 489 HD2 LYS 63 1HD LYS 63 17.590 -19.480 2.946 490 HD3 LYS 63 2HD LYS 63 17.630 -19.528 1.171 491 HE2 LYS 63 1HE LYS 63 20.103 -19.542 1.243 492 HE3 LYS 63 2HE LYS 63 20.037 -19.586 3.008 493 HZ1 LYS 63 1HZ LYS 63 18.930 -21.728 2.862 494 HZ2 LYS 63 2HZ LYS 63 20.385 -21.780 2.087 495 HZ3 LYS 63 3HZ LYS 63 18.989 -21.692 1.212 496 H ILE 64 H ILE 64 19.041 -14.197 1.227 497 HA ILE 64 HA ILE 64 16.580 -12.823 1.861 498 HB ILE 64 HB ILE 64 17.936 -13.231 -0.844 499 HG12 ILE 64 1HG1 ILE 64 19.488 -12.184 0.764 500 HG13 ILE 64 2HG1 ILE 64 19.015 -11.099 -0.528 501 HG21 ILE 64 1HG2 ILE 64 16.767 -11.034 -1.351 502 HG22 ILE 64 2HG2 ILE 64 15.700 -12.445 -1.171 503 HG23 ILE 64 3HG2 ILE 64 15.857 -11.282 0.154 504 HD11 ILE 64 1HD1 ILE 64 17.394 -9.965 1.039 505 HD12 ILE 64 2HD1 ILE 64 18.019 -11.008 2.342 506 HD13 ILE 64 3HD1 ILE 64 19.084 -9.843 1.536 507 H LEU 65 H LEU 65 14.535 -13.546 1.571 508 HA LEU 65 HA LEU 65 14.233 -16.200 0.270 509 HB2 LEU 65 1HB LEU 65 12.240 -14.560 1.864 510 HB3 LEU 65 2HB LEU 65 12.042 -16.234 1.339 511 HG LEU 65 HG LEU 65 14.098 -15.209 3.335 512 HD11 LEU 65 1HD1 LEU 65 11.595 -16.879 3.736 513 HD12 LEU 65 2HD1 LEU 65 11.770 -15.149 4.129 514 HD13 LEU 65 3HD1 LEU 65 12.735 -16.348 4.993 515 HD21 LEU 65 1HD2 LEU 65 14.482 -17.669 3.819 516 HD22 LEU 65 2HD2 LEU 65 15.083 -17.141 2.240 517 HD23 LEU 65 3HD2 LEU 65 13.553 -18.049 2.353 518 H VAL 66 H VAL 66 14.579 -15.416 -1.863 519 HA VAL 66 HA VAL 66 12.873 -13.359 -2.987 520 HB VAL 66 HB VAL 66 14.569 -15.459 -4.442 521 HG11 VAL 66 1HG1 VAL 66 13.472 -12.754 -5.348 522 HG12 VAL 66 2HG1 VAL 66 14.585 -13.780 -6.285 523 HG13 VAL 66 3HG1 VAL 66 12.953 -14.354 -5.924 524 HG21 VAL 66 1HG2 VAL 66 16.297 -13.669 -4.581 525 HG22 VAL 66 2HG2 VAL 66 15.311 -12.653 -3.507 526 HG23 VAL 66 3HG2 VAL 66 15.997 -14.186 -2.913 527 H GLY 67 H GLY 67 10.717 -13.745 -3.056 528 HA2 GLY 67 1HA GLY 67 9.686 -16.431 -3.451 529 HA3 GLY 67 2HA GLY 67 8.744 -14.952 -3.248 530 H MET 68 H MET 68 11.201 -15.376 -5.754 531 HA MET 68 HA MET 68 9.210 -14.794 -7.833 532 HB2 MET 68 1HB MET 68 11.561 -13.901 -7.812 533 HB3 MET 68 2HB MET 68 12.151 -15.545 -8.061 534 HG2 MET 68 1HG MET 68 10.928 -15.631 -10.224 535 HG3 MET 68 2HG MET 68 10.400 -13.959 -9.972 536 HE1 MET 68 1HE MET 68 13.700 -11.915 -10.349 537 HE2 MET 68 2HE MET 68 11.934 -11.871 -10.132 538 HE3 MET 68 3HE MET 68 12.982 -12.439 -8.809 539 H TYR 69 H TYR 69 10.677 -17.547 -6.324 540 HA TYR 69 HA TYR 69 9.518 -19.322 -8.421 541 HB2 TYR 69 1HB TYR 69 12.087 -19.778 -6.864 542 HB3 TYR 69 2HB TYR 69 11.411 -20.823 -8.120 543 HD1 TYR 69 HD1 TYR 69 11.137 -19.759 -10.512 544 HD2 TYR 69 HD2 TYR 69 13.628 -18.054 -7.440 545 HE1 TYR 69 HE1 TYR 69 12.397 -18.469 -12.236 546 HE2 TYR 69 HE2 TYR 69 14.890 -16.785 -9.179 547 HH TYR 69 HH TYR 69 14.072 -16.967 -12.640 548 H ASP 70 H ASP 70 8.554 -21.200 -7.697 549 HA ASP 70 HA ASP 70 8.067 -21.308 -4.767 550 HB2 ASP 70 1HB ASP 70 6.116 -21.075 -6.378 551 HB3 ASP 70 2HB ASP 70 6.486 -22.719 -6.926 552 H LYS 71 H LYS 71 7.172 -24.011 -4.680 553 HA LYS 71 HA LYS 71 7.997 -26.077 -4.205 554 HB2 LYS 71 1HB LYS 71 8.111 -25.945 -6.799 555 HB3 LYS 71 2HB LYS 71 9.863 -25.904 -6.568 556 HG2 LYS 71 1HG LYS 71 9.750 -28.060 -5.364 557 HG3 LYS 71 2HG LYS 71 7.984 -28.064 -5.528 558 HD2 LYS 71 1HD LYS 71 8.234 -28.068 -7.997 559 HD3 LYS 71 2HD LYS 71 10.000 -28.143 -7.798 560 HE2 LYS 71 1HE LYS 71 9.764 -30.276 -6.560 561 HE3 LYS 71 2HE LYS 71 8.002 -30.197 -6.763 562 HZ1 LYS 71 1HZ LYS 71 8.339 -30.299 -9.161 563 HZ2 LYS 71 2HZ LYS 71 9.019 -31.613 -8.430 564 HZ3 LYS 71 3HZ LYS 71 9.975 -30.381 -8.969 565 H LYS 72 H LYS 72 9.124 -23.941 -2.877 566 HA LYS 72 HA LYS 72 11.973 -24.017 -2.661 567 HB2 LYS 72 1HB LYS 72 9.835 -23.405 -0.581 568 HB3 LYS 72 2HB LYS 72 11.554 -23.178 -0.316 569 HG2 LYS 72 1HG LYS 72 10.979 -21.030 -0.870 570 HG3 LYS 72 2HG LYS 72 11.426 -21.649 -2.461 571 HD2 LYS 72 1HD LYS 72 9.417 -20.366 -2.715 572 HD3 LYS 72 2HD LYS 72 8.966 -22.060 -2.912 573 HE2 LYS 72 1HE LYS 72 8.049 -22.127 -0.638 574 HE3 LYS 72 2HE LYS 72 8.622 -20.471 -0.338 575 HZ1 LYS 72 1HZ LYS 72 6.288 -20.463 -0.935 576 HZ2 LYS 72 2HZ LYS 72 6.580 -21.266 -2.352 577 HZ3 LYS 72 3HZ LYS 72 7.144 -19.728 -2.138 578 HA PRO 73 HA PRO 73 12.252 -28.050 -1.032 579 HB2 PRO 73 1HB PRO 73 14.665 -28.088 0.238 580 HB3 PRO 73 2HB PRO 73 14.510 -27.937 -1.544 581 HG2 PRO 73 1HG PRO 73 14.890 -25.767 0.505 582 HG3 PRO 73 2HG PRO 73 15.808 -26.067 -1.006 583 HD2 PRO 73 1HD PRO 73 13.796 -24.254 -0.894 584 HD3 PRO 73 2HD PRO 73 14.059 -25.257 -2.358 585 H ALA 74 H ALA 74 12.350 -25.397 1.218 586 HA ALA 74 HA ALA 74 11.773 -25.175 3.414 587 HB1 ALA 74 1HB ALA 74 9.629 -26.122 2.424 588 HB2 ALA 74 2HB ALA 74 10.134 -27.723 3.007 589 HB3 ALA 74 3HB ALA 74 9.822 -26.404 4.167 590 H GLY 75 H GLY 75 11.050 -27.463 5.224 591 HA2 GLY 75 1HA GLY 75 13.165 -29.308 5.492 592 HA3 GLY 75 2HA GLY 75 13.575 -27.855 6.447 593 H SER 76 H SER 76 13.134 -30.066 7.966 594 HA SER 76 HA SER 76 10.704 -29.325 9.427 595 HB2 SER 76 1HB SER 76 9.934 -31.028 7.688 596 HB3 SER 76 2HB SER 76 11.033 -32.196 8.454 597 HG SER 76 HG SER 76 8.838 -32.267 9.240 598 H GLY 77 H GLY 77 10.681 -30.929 11.447 599 HA2 GLY 77 1HA GLY 77 12.201 -32.530 12.623 600 HA3 GLY 77 2HA GLY 77 13.532 -31.452 12.202 601 H GLY 78 H GLY 78 12.234 -28.934 12.812 602 HA2 GLY 78 1HA GLY 78 11.001 -28.904 15.340 603 HA3 GLY 78 2HA GLY 78 12.751 -28.877 15.620 604 H SER 79 H SER 79 11.636 -26.769 16.595 605 HA SER 79 HA SER 79 12.010 -24.598 14.571 606 HB2 SER 79 1HB SER 79 10.234 -23.360 15.789 607 HB3 SER 79 2HB SER 79 9.637 -24.877 15.080 608 HG SER 79 HG SER 79 10.266 -24.315 17.783 609 H GLY 80 H GLY 80 14.277 -25.150 15.712 610 HA2 GLY 80 1HA GLY 80 15.802 -23.581 16.710 611 HA3 GLY 80 2HA GLY 80 14.538 -23.062 17.823 612 H SER 81 H SER 81 14.593 -26.445 17.522 613 HA SER 81 HA SER 81 15.882 -26.769 20.148 614 HB2 SER 81 1HB SER 81 13.894 -28.149 19.484 615 HB3 SER 81 2HB SER 81 14.860 -28.854 18.168 616 HG SER 81 HG SER 81 14.961 -30.210 19.949 617 H GLY 82 H GLY 82 17.858 -27.981 20.392 618 HA2 GLY 82 1HA GLY 82 19.799 -29.069 19.509 619 HA3 GLY 82 2HA GLY 82 19.462 -28.376 17.914 620 H LEU 83 H LEU 83 21.787 -28.307 19.978 621 HA LEU 83 HA LEU 83 22.473 -25.454 19.620 622 HB2 LEU 83 1HB LEU 83 22.309 -26.869 22.316 623 HB3 LEU 83 2HB LEU 83 23.200 -25.381 22.054 624 HG LEU 83 HG LEU 83 20.192 -25.636 21.763 625 HD11 LEU 83 1HD1 LEU 83 20.942 -26.019 24.076 626 HD12 LEU 83 2HD1 LEU 83 20.110 -24.459 23.924 627 HD13 LEU 83 3HD1 LEU 83 21.885 -24.510 24.029 628 HD21 LEU 83 1HD2 LEU 83 22.046 -23.211 21.818 629 HD22 LEU 83 2HD2 LEU 83 20.269 -23.146 21.852 630 HD23 LEU 83 3HD2 LEU 83 21.100 -23.792 20.424 631 H THR 84 H THR 84 24.798 -25.192 20.289 632 HA THR 84 HA THR 84 26.984 -25.777 20.356 633 HB THR 84 HB THR 84 26.585 -28.610 21.194 634 HG1 THR 84 HG1 THR 84 24.834 -27.875 22.233 635 HG21 THR 84 1HG2 THR 84 28.098 -27.899 23.000 636 HG22 THR 84 2HG2 THR 84 27.968 -26.208 22.465 637 HG23 THR 84 3HG2 THR 84 28.753 -27.422 21.419 638 H ASP 85 H ASP 85 25.482 -26.331 17.864 639 HA ASP 85 HA ASP 85 27.642 -27.799 16.531 640 HB2 ASP 85 1HB ASP 85 25.767 -29.483 17.180 641 HB3 ASP 85 2HB ASP 85 24.762 -28.616 16.009 642 H GLU 86 H GLU 86 27.182 -27.592 14.091 643 HA GLU 86 HA GLU 86 27.032 -26.168 12.314 644 HB2 GLU 86 1HB GLU 86 24.590 -26.817 12.880 645 HB3 GLU 86 2HB GLU 86 24.409 -25.126 13.349 646 HG2 GLU 86 1HG GLU 86 25.242 -24.478 11.069 647 HG3 GLU 86 2HG GLU 86 25.283 -26.192 10.636 648 H LEU 87 H LEU 87 28.834 -25.094 13.559 649 HA LEU 87 HA LEU 87 28.479 -22.673 14.964 650 HB2 LEU 87 1HB LEU 87 30.834 -23.605 13.287 651 HB3 LEU 87 2HB LEU 87 30.879 -22.276 14.442 652 HG LEU 87 HG LEU 87 30.353 -25.184 15.156 653 HD11 LEU 87 1HD1 LEU 87 32.851 -23.472 15.486 654 HD12 LEU 87 2HD1 LEU 87 32.642 -24.810 14.330 655 HD13 LEU 87 3HD1 LEU 87 32.638 -25.138 16.074 656 HD21 LEU 87 1HD2 LEU 87 29.320 -23.683 16.787 657 HD22 LEU 87 2HD2 LEU 87 30.822 -22.733 16.909 658 HD23 LEU 87 3HD2 LEU 87 30.774 -24.414 17.488 659 H ALA 88 H ALA 88 28.374 -20.594 14.426 660 HA ALA 88 HA ALA 88 27.433 -20.072 11.759 661 HB1 ALA 88 1HB ALA 88 27.843 -18.172 14.109 662 HB2 ALA 88 2HB ALA 88 26.845 -17.868 12.668 663 HB3 ALA 88 3HB ALA 88 26.378 -19.141 13.817 664 HA PRO 89 HA PRO 89 31.145 -18.289 10.098 665 HB2 PRO 89 1HB PRO 89 30.159 -16.641 8.161 666 HB3 PRO 89 2HB PRO 89 30.034 -18.425 8.043 667 HG2 PRO 89 1HG PRO 89 28.010 -16.448 9.031 668 HG3 PRO 89 2HG PRO 89 27.820 -17.734 7.799 669 HD2 PRO 89 1HD PRO 89 27.056 -18.103 10.354 670 HD3 PRO 89 2HD PRO 89 27.800 -19.433 9.398 671 HA PRO 90 HA PRO 90 31.800 -14.486 12.159 672 HB2 PRO 90 1HB PRO 90 33.729 -13.198 10.735 673 HB3 PRO 90 2HB PRO 90 34.044 -14.754 11.569 674 HG2 PRO 90 1HG PRO 90 33.310 -14.275 8.691 675 HG3 PRO 90 2HG PRO 90 34.694 -15.201 9.361 676 HD2 PRO 90 1HD PRO 90 32.422 -16.432 8.597 677 HD3 PRO 90 2HD PRO 90 33.315 -16.973 10.057 678 H LYS 91 H LYS 91 31.793 -12.103 12.084 679 HA LYS 91 HA LYS 91 29.721 -11.075 10.245 680 HB2 LYS 91 1HB LYS 91 31.229 -9.790 12.565 681 HB3 LYS 91 2HB LYS 91 29.878 -9.059 11.695 682 HG2 LYS 91 1HG LYS 91 28.376 -10.822 12.526 683 HG3 LYS 91 2HG LYS 91 29.730 -11.589 13.379 684 HD2 LYS 91 1HD LYS 91 30.057 -9.537 14.716 685 HD3 LYS 91 2HD LYS 91 28.708 -8.771 13.863 686 HE2 LYS 91 1HE LYS 91 27.200 -10.567 14.696 687 HE3 LYS 91 2HE LYS 91 28.555 -11.211 15.656 688 HZ1 LYS 91 1HZ LYS 91 27.102 -9.683 16.901 689 HZ2 LYS 91 2HZ LYS 91 27.492 -8.454 15.873 690 HZ3 LYS 91 3HZ LYS 91 28.662 -9.142 16.839 691 HA PRO 92 HA PRO 92 33.011 -9.113 7.917 692 HB2 PRO 92 1HB PRO 92 31.662 -7.030 6.718 693 HB3 PRO 92 2HB PRO 92 31.537 -8.723 6.167 694 HG2 PRO 92 1HG PRO 92 29.673 -7.146 7.830 695 HG3 PRO 92 2HG PRO 92 29.329 -8.293 6.526 696 HD2 PRO 92 1HD PRO 92 29.138 -8.864 9.207 697 HD3 PRO 92 2HD PRO 92 29.459 -10.098 7.939 698 HA PRO 93 HA PRO 93 34.530 -6.024 10.652 699 HB2 PRO 93 1HB PRO 93 35.284 -4.367 8.248 700 HB3 PRO 93 2HB PRO 93 36.297 -4.881 9.634 701 HG2 PRO 93 1HG PRO 93 36.550 -6.029 7.313 702 HG3 PRO 93 2HG PRO 93 36.546 -6.995 8.822 703 HD2 PRO 93 1HD PRO 93 34.353 -6.638 6.791 704 HD3 PRO 93 2HD PRO 93 34.890 -8.083 7.708 705 H LEU 94 H LEU 94 34.407 -3.972 11.426 706 HA LEU 94 HA LEU 94 32.355 -2.168 10.274 707 HB2 LEU 94 1HB LEU 94 32.479 -3.300 13.074 708 HB3 LEU 94 2HB LEU 94 31.824 -1.693 12.813 709 HG LEU 94 HG LEU 94 30.731 -4.271 11.667 710 HD11 LEU 94 1HD1 LEU 94 30.302 -3.819 14.066 711 HD12 LEU 94 2HD1 LEU 94 28.830 -3.788 13.071 712 HD13 LEU 94 3HD1 LEU 94 29.569 -2.261 13.601 713 HD21 LEU 94 1HD2 LEU 94 29.731 -1.416 11.321 714 HD22 LEU 94 2HD2 LEU 94 28.844 -2.883 10.861 715 HD23 LEU 94 3HD2 LEU 94 30.353 -2.492 10.043 716 HA PRO 95 HA PRO 95 35.340 0.982 11.339 717 HB2 PRO 95 1HB PRO 95 33.765 3.191 11.391 718 HB3 PRO 95 2HB PRO 95 33.981 2.257 9.879 719 HG2 PRO 95 1HG PRO 95 31.758 2.107 11.893 720 HG3 PRO 95 2HG PRO 95 31.656 2.324 10.117 721 HD2 PRO 95 1HD PRO 95 31.388 -0.106 11.328 722 HD3 PRO 95 2HD PRO 95 32.118 0.065 9.704 723 H GLU 96 H GLU 96 35.040 3.171 12.969 724 HA GLU 96 HA GLU 96 35.187 3.910 15.073 725 HB2 GLU 96 1HB GLU 96 32.681 3.176 14.860 726 HB3 GLU 96 2HB GLU 96 33.157 1.957 16.038 727 HG2 GLU 96 1HG GLU 96 34.003 3.805 17.506 728 HG3 GLU 96 2HG GLU 96 33.401 4.970 16.326 729 H GLY 97 H GLY 97 36.498 1.284 14.114 730 HA2 GLY 97 1HA GLY 97 37.983 0.964 16.643 731 HA3 GLY 97 2HA GLY 97 37.351 -0.515 15.863 732 H GLU 98 H GLU 98 40.191 0.318 16.171 733 HA GLU 98 HA GLU 98 41.005 1.255 13.525 734 HB2 GLU 98 1HB GLU 98 42.615 0.254 15.902 735 HB3 GLU 98 2HB GLU 98 43.299 0.948 14.423 736 HG2 GLU 98 1HG GLU 98 42.047 3.062 14.884 737 HG3 GLU 98 2HG GLU 98 41.488 2.360 16.413 738 H VAL 99 H VAL 99 40.053 -0.376 12.237 739 HA VAL 99 HA VAL 99 41.248 -3.087 12.423 740 HB VAL 99 HB VAL 99 38.977 -2.089 10.629 741 HG11 VAL 99 1HG1 VAL 99 39.931 -4.943 11.303 742 HG12 VAL 99 2HG1 VAL 99 38.482 -4.549 10.363 743 HG13 VAL 99 3HG1 VAL 99 40.075 -4.136 9.728 744 HG21 VAL 99 1HG2 VAL 99 37.460 -3.310 12.257 745 HG22 VAL 99 2HG2 VAL 99 38.845 -3.542 13.342 746 HG23 VAL 99 3HG2 VAL 99 38.242 -1.915 12.980 747 HXT VAL 99 H02 VAL 99 43.296 -2.679 9.859 Start of MODEL 21 1 H2 GLY 1 2H0 GLY 1 3.355 0.859 0.530 2 H GLY 1 1H0 GLY 1 2.884 2.154 1.408 3 HA2 GLY 1 1HA GLY 1 2.640 1.857 -1.538 4 HA3 GLY 1 2HA GLY 1 2.013 3.248 -0.622 5 H SER 2 H SER 2 3.366 4.084 -2.448 6 HA SER 2 HA SER 2 5.150 5.328 -3.177 7 HB2 SER 2 1HB SER 2 6.222 5.204 -0.340 8 HB3 SER 2 2HB SER 2 6.582 6.420 -1.581 9 HG SER 2 HG SER 2 4.163 5.981 -0.188 10 H MET 3 H MET 3 7.869 5.339 -2.664 11 HA MET 3 HA MET 3 8.692 2.489 -2.877 12 HB2 MET 3 1HB MET 3 8.333 3.457 -5.151 13 HB3 MET 3 2HB MET 3 9.586 4.656 -4.807 14 HG2 MET 3 1HG MET 3 11.246 2.863 -4.525 15 HG3 MET 3 2HG MET 3 9.990 1.641 -4.790 16 HE1 MET 3 1HE MET 3 9.045 0.895 -7.081 17 HE2 MET 3 2HE MET 3 8.234 2.473 -7.234 18 HE3 MET 3 3HE MET 3 9.199 1.835 -8.582 19 H LYS 4 H LYS 4 9.552 2.592 -0.831 20 HA LYS 4 HA LYS 4 12.146 4.058 -0.661 21 HB2 LYS 4 1HB LYS 4 9.917 3.932 1.413 22 HB3 LYS 4 2HB LYS 4 11.601 4.187 1.874 23 HG2 LYS 4 1HG LYS 4 10.088 6.016 -0.024 24 HG3 LYS 4 2HG LYS 4 10.225 6.273 1.729 25 HD2 LYS 4 1HD LYS 4 12.723 6.245 1.490 26 HD3 LYS 4 2HD LYS 4 12.514 6.183 -0.274 27 HE2 LYS 4 1HE LYS 4 11.267 8.312 -0.203 28 HE3 LYS 4 2HE LYS 4 11.466 8.368 1.565 29 HZ1 LYS 4 1HZ LYS 4 13.134 9.704 0.430 30 HZ2 LYS 4 2HZ LYS 4 13.688 8.391 -0.400 31 HZ3 LYS 4 3HZ LYS 4 13.857 8.461 1.238 32 H TYR 5 H TYR 5 13.708 2.685 -0.058 33 HA TYR 5 HA TYR 5 14.800 0.790 0.405 34 HB2 TYR 5 1HB TYR 5 12.550 0.593 2.406 35 HB3 TYR 5 2HB TYR 5 13.870 -0.552 2.339 36 HD1 TYR 5 HD1 TYR 5 12.830 2.156 4.148 37 HD2 TYR 5 HD2 TYR 5 16.316 0.846 1.979 38 HE1 TYR 5 HE1 TYR 5 14.283 3.632 5.553 39 HE2 TYR 5 HE2 TYR 5 17.745 2.320 3.381 40 HH TYR 5 HH TYR 5 17.836 3.761 5.117 41 H LEU 6 H LEU 6 14.816 -1.606 0.582 42 HA LEU 6 HA LEU 6 13.566 -2.630 -1.827 43 HB2 LEU 6 1HB LEU 6 15.127 -4.059 0.359 44 HB3 LEU 6 2HB LEU 6 14.759 -4.695 -1.234 45 HG LEU 6 HG LEU 6 16.609 -2.368 -0.690 46 HD11 LEU 6 1HD1 LEU 6 18.399 -3.975 -1.245 47 HD12 LEU 6 2HD1 LEU 6 17.191 -5.271 -1.425 48 HD13 LEU 6 3HD1 LEU 6 17.474 -4.523 0.164 49 HD21 LEU 6 1HD2 LEU 6 15.592 -2.208 -2.915 50 HD22 LEU 6 2HD2 LEU 6 16.024 -3.900 -3.252 51 HD23 LEU 6 3HD2 LEU 6 17.300 -2.676 -3.045 52 H ASN 7 H ASN 7 13.163 -3.193 1.658 53 HA ASN 7 HA ASN 7 11.628 -4.323 2.897 54 HB2 ASN 7 1HB ASN 7 9.832 -3.353 0.668 55 HB3 ASN 7 2HB ASN 7 9.243 -4.102 2.161 56 HD21 ASN 7 1HD2 ASN 7 10.019 -0.241 2.137 57 HD22 ASN 7 2HD2 ASN 7 9.815 -1.235 0.718 58 H VAL 8 H VAL 8 13.101 -6.175 1.741 59 HA VAL 8 HA VAL 8 11.172 -8.194 0.671 60 HB VAL 8 HB VAL 8 12.819 -9.065 -0.662 61 HG11 VAL 8 1HG1 VAL 8 14.394 -7.453 -1.516 62 HG12 VAL 8 2HG1 VAL 8 12.905 -6.582 -1.095 63 HG13 VAL 8 3HG1 VAL 8 14.325 -6.508 -0.011 64 HG21 VAL 8 1HG2 VAL 8 14.771 -8.509 1.580 65 HG22 VAL 8 2HG2 VAL 8 14.177 -10.070 0.995 66 HG23 VAL 8 3HG2 VAL 8 15.278 -9.106 -0.003 67 H LEU 9 H LEU 9 11.472 -10.421 1.620 68 HA LEU 9 HA LEU 9 12.072 -10.134 4.521 69 HB2 LEU 9 1HB LEU 9 10.765 -12.396 2.977 70 HB3 LEU 9 2HB LEU 9 10.985 -12.338 4.723 71 HG LEU 9 HG LEU 9 9.235 -10.455 3.101 72 HD11 LEU 9 1HD1 LEU 9 7.375 -11.658 4.161 73 HD12 LEU 9 2HD1 LEU 9 8.523 -12.735 4.994 74 HD13 LEU 9 3HD1 LEU 9 8.387 -12.770 3.213 75 HD21 LEU 9 1HD2 LEU 9 10.084 -9.301 5.085 76 HD22 LEU 9 2HD2 LEU 9 9.657 -10.687 6.111 77 HD23 LEU 9 3HD2 LEU 9 8.381 -9.727 5.330 78 H ALA 10 H ALA 10 13.597 -11.408 5.589 79 HA ALA 10 HA ALA 10 15.163 -13.318 3.903 80 HB1 ALA 10 1HB ALA 10 16.370 -11.167 3.873 81 HB2 ALA 10 2HB ALA 10 16.378 -11.147 5.653 82 HB3 ALA 10 3HB ALA 10 17.271 -12.409 4.765 83 H LYS 11 H LYS 11 15.917 -15.087 5.003 84 HA LYS 11 HA LYS 11 14.955 -15.347 7.820 85 HB2 LYS 11 1HB LYS 11 14.073 -17.020 6.315 86 HB3 LYS 11 2HB LYS 11 15.689 -17.439 5.742 87 HG2 LYS 11 1HG LYS 11 16.284 -18.408 7.864 88 HG3 LYS 11 2HG LYS 11 14.844 -17.752 8.652 89 HD2 LYS 11 1HD LYS 11 14.702 -19.777 6.407 90 HD3 LYS 11 2HD LYS 11 14.853 -20.232 8.118 91 HE2 LYS 11 1HE LYS 11 12.797 -18.868 8.608 92 HE3 LYS 11 2HE LYS 11 12.594 -18.631 6.861 93 HZ1 LYS 11 1HZ LYS 11 12.580 -21.243 8.252 94 HZ2 LYS 11 2HZ LYS 11 12.415 -21.038 6.625 95 HZ3 LYS 11 3HZ LYS 11 11.258 -20.465 7.652 96 H ALA 12 H ALA 12 16.281 -15.811 9.488 97 HA ALA 12 HA ALA 12 19.155 -15.502 9.122 98 HB1 ALA 12 1HB ALA 12 19.191 -15.732 11.557 99 HB2 ALA 12 2HB ALA 12 17.882 -14.637 11.107 100 HB3 ALA 12 3HB ALA 12 17.522 -16.314 11.570 101 H LEU 13 H LEU 13 20.580 -17.136 8.666 102 HA LEU 13 HA LEU 13 19.637 -19.954 8.849 103 HB2 LEU 13 1HB LEU 13 22.302 -18.761 8.046 104 HB3 LEU 13 2HB LEU 13 21.914 -20.461 8.008 105 HG LEU 13 HG LEU 13 21.784 -19.997 5.853 106 HD11 LEU 13 1HD1 LEU 13 18.973 -19.075 6.522 107 HD12 LEU 13 2HD1 LEU 13 19.502 -20.777 6.524 108 HD13 LEU 13 3HD1 LEU 13 19.532 -19.842 5.019 109 HD21 LEU 13 1HD2 LEU 13 20.600 -17.279 6.314 110 HD22 LEU 13 2HD2 LEU 13 21.296 -17.935 4.814 111 HD23 LEU 13 3HD2 LEU 13 22.346 -17.616 6.198 112 H TYR 14 H TYR 14 21.202 -17.600 10.700 113 HA TYR 14 HA TYR 14 22.076 -19.610 12.696 114 HB2 TYR 14 1HB TYR 14 23.794 -17.324 11.675 115 HB3 TYR 14 2HB TYR 14 24.202 -18.452 12.973 116 HD1 TYR 14 HD1 TYR 14 24.122 -17.913 9.368 117 HD2 TYR 14 HD2 TYR 14 24.563 -20.906 12.418 118 HE1 TYR 14 HE1 TYR 14 25.027 -19.501 7.678 119 HE2 TYR 14 HE2 TYR 14 25.481 -22.468 10.741 120 HH TYR 14 HH TYR 14 25.795 -22.883 8.465 121 H ASP 15 H ASP 15 22.586 -18.447 14.802 122 HA ASP 15 HA ASP 15 20.570 -16.360 15.298 123 HB2 ASP 15 1HB ASP 15 21.474 -16.484 17.594 124 HB3 ASP 15 2HB ASP 15 21.098 -18.106 16.986 125 H ASN 16 H ASN 16 21.298 -14.316 16.399 126 HA ASN 16 HA ASN 16 24.094 -13.577 15.784 127 HB2 ASN 16 1HB ASN 16 22.585 -12.854 13.852 128 HB3 ASN 16 2HB ASN 16 21.868 -11.700 14.977 129 HD21 ASN 16 1HD2 ASN 16 24.407 -9.394 14.442 130 HD22 ASN 16 2HD2 ASN 16 22.717 -9.738 14.810 131 H VAL 17 H VAL 17 24.983 -12.450 17.331 132 HA VAL 17 HA VAL 17 23.246 -11.295 19.445 133 HB VAL 17 HB VAL 17 26.213 -12.056 19.475 134 HG11 VAL 17 1HG1 VAL 17 24.413 -11.004 21.708 135 HG12 VAL 17 2HG1 VAL 17 26.089 -11.569 21.908 136 HG13 VAL 17 3HG1 VAL 17 25.758 -10.119 20.941 137 HG21 VAL 17 1HG2 VAL 17 25.515 -13.833 21.067 138 HG22 VAL 17 2HG2 VAL 17 23.811 -13.376 20.828 139 HG23 VAL 17 3HG2 VAL 17 24.753 -14.051 19.479 140 H ALA 18 H ALA 18 23.076 -9.173 19.358 141 HA ALA 18 HA ALA 18 24.541 -7.627 17.393 142 HB1 ALA 18 1HB ALA 18 22.218 -7.071 17.859 143 HB2 ALA 18 2HB ALA 18 22.580 -6.825 19.587 144 HB3 ALA 18 3HB ALA 18 23.249 -5.719 18.364 145 H GLU 19 H GLU 19 26.563 -7.008 17.721 146 HA GLU 19 HA GLU 19 27.530 -6.673 20.538 147 HB2 GLU 19 1HB GLU 19 28.982 -7.019 17.894 148 HB3 GLU 19 2HB GLU 19 29.781 -6.765 19.456 149 HG2 GLU 19 1HG GLU 19 28.751 -8.819 20.324 150 HG3 GLU 19 2HG GLU 19 27.953 -9.091 18.778 151 H SER 20 H SER 20 26.678 -5.032 17.642 152 HA SER 20 HA SER 20 27.876 -2.482 18.670 153 HB2 SER 20 1HB SER 20 26.922 -3.272 15.887 154 HB3 SER 20 2HB SER 20 27.552 -1.671 16.343 155 HG SER 20 HG SER 20 28.986 -4.084 16.735 156 HA PRO 21 HA PRO 21 23.773 -1.292 19.596 157 HB2 PRO 21 1HB PRO 21 23.836 1.429 19.332 158 HB3 PRO 21 2HB PRO 21 24.707 0.561 20.641 159 HG2 PRO 21 1HG PRO 21 25.779 1.540 18.003 160 HG3 PRO 21 2HG PRO 21 26.442 1.772 19.648 161 HD2 PRO 21 1HD PRO 21 27.383 -0.120 18.029 162 HD3 PRO 21 2HD PRO 21 27.225 -0.385 19.801 163 H ASP 22 H ASP 22 25.066 -0.712 16.426 164 HA ASP 22 HA ASP 22 22.511 0.245 15.310 165 HB2 ASP 22 1HB ASP 22 25.092 0.682 14.608 166 HB3 ASP 22 2HB ASP 22 24.766 -0.719 13.597 167 H GLU 23 H GLU 23 23.938 -2.697 16.234 168 HA GLU 23 HA GLU 23 23.018 -4.202 13.902 169 HB2 GLU 23 1HB GLU 23 25.241 -4.494 15.055 170 HB3 GLU 23 2HB GLU 23 24.370 -5.215 16.409 171 HG2 GLU 23 1HG GLU 23 23.540 -6.990 14.936 172 HG3 GLU 23 2HG GLU 23 24.343 -6.229 13.561 173 H LEU 24 H LEU 24 21.584 -5.931 13.919 174 HA LEU 24 HA LEU 24 19.591 -5.889 16.129 175 HB2 LEU 24 1HB LEU 24 19.569 -7.179 13.396 176 HB3 LEU 24 2HB LEU 24 18.320 -7.442 14.602 177 HG LEU 24 HG LEU 24 19.010 -4.788 13.305 178 HD11 LEU 24 1HD1 LEU 24 16.747 -5.049 12.288 179 HD12 LEU 24 2HD1 LEU 24 16.694 -6.700 12.939 180 HD13 LEU 24 3HD1 LEU 24 17.927 -6.253 11.738 181 HD21 LEU 24 1HD2 LEU 24 16.873 -4.049 14.428 182 HD22 LEU 24 2HD2 LEU 24 18.222 -4.357 15.531 183 HD23 LEU 24 3HD2 LEU 24 16.909 -5.558 15.367 184 H SER 25 H SER 25 19.059 -7.589 17.357 185 HA SER 25 HA SER 25 20.826 -9.967 17.206 186 HB2 SER 25 1HB SER 25 19.808 -10.234 19.611 187 HB3 SER 25 2HB SER 25 21.120 -9.066 19.344 188 HG SER 25 HG SER 25 19.446 -8.084 20.494 189 H PHE 26 H PHE 26 19.933 -11.837 16.801 190 HA PHE 26 HA PHE 26 17.059 -12.375 17.122 191 HB2 PHE 26 1HB PHE 26 16.780 -12.996 14.724 192 HB3 PHE 26 2HB PHE 26 16.931 -11.271 15.008 193 HD1 PHE 26 HD1 PHE 26 18.564 -9.999 13.931 194 HD2 PHE 26 HD2 PHE 26 18.832 -14.293 13.882 195 HE1 PHE 26 HE1 PHE 26 20.321 -9.865 12.203 196 HE2 PHE 26 HE2 PHE 26 20.625 -14.167 12.171 197 HZ PHE 26 HZ PHE 26 21.359 -11.962 11.302 198 H ARG 27 H ARG 27 16.680 -14.704 16.070 199 HA ARG 27 HA ARG 27 19.156 -16.285 16.611 200 HB2 ARG 27 1HB ARG 27 18.083 -17.870 17.855 201 HB3 ARG 27 2HB ARG 27 17.371 -16.371 18.436 202 HG2 ARG 27 1HG ARG 27 16.092 -18.358 16.512 203 HG3 ARG 27 2HG ARG 27 15.686 -18.128 18.220 204 HD2 ARG 27 1HD ARG 27 15.102 -15.775 17.710 205 HD3 ARG 27 2HD ARG 27 15.389 -16.121 15.998 206 HE ARG 27 HE ARG 27 13.610 -18.081 16.691 207 HH11 ARG 27 1HH1 ARG 27 13.457 -14.564 17.027 208 HH12 ARG 27 2HH1 ARG 27 11.714 -14.553 16.999 209 HH21 ARG 27 1HH2 ARG 27 11.399 -17.965 16.604 210 HH22 ARG 27 2HH2 ARG 27 10.582 -16.429 16.739 211 H LYS 28 H LYS 28 19.034 -18.540 15.646 212 HA LYS 28 HA LYS 28 18.703 -18.399 12.835 213 HB2 LYS 28 1HB LYS 28 20.098 -20.026 14.098 214 HB3 LYS 28 2HB LYS 28 18.650 -20.789 14.750 215 HG2 LYS 28 1HG LYS 28 18.055 -21.696 12.628 216 HG3 LYS 28 2HG LYS 28 19.256 -20.700 11.794 217 HD2 LYS 28 1HD LYS 28 21.072 -21.821 13.057 218 HD3 LYS 28 2HD LYS 28 19.882 -22.862 13.857 219 HE2 LYS 28 1HE LYS 28 19.352 -23.970 11.779 220 HE3 LYS 28 2HE LYS 28 20.244 -22.750 10.840 221 HZ1 LYS 28 1HZ LYS 28 21.662 -24.621 11.044 222 HZ2 LYS 28 2HZ LYS 28 21.402 -24.765 12.674 223 HZ3 LYS 28 3HZ LYS 28 22.259 -23.492 12.075 224 H GLY 29 H GLY 29 17.060 -18.576 11.501 225 HA2 GLY 29 1HA GLY 29 15.007 -19.506 10.773 226 HA3 GLY 29 2HA GLY 29 14.556 -19.871 12.440 227 H ASP 30 H ASP 30 15.686 -16.775 12.668 228 HA ASP 30 HA ASP 30 13.026 -15.666 12.868 229 HB2 ASP 30 1HB ASP 30 15.724 -14.832 13.488 230 HB3 ASP 30 2HB ASP 30 14.944 -13.574 12.547 231 H ILE 31 H ILE 31 12.240 -13.801 11.692 232 HA ILE 31 HA ILE 31 13.279 -13.656 8.890 233 HB ILE 31 HB ILE 31 10.363 -13.417 9.792 234 HG12 ILE 31 1HG1 ILE 31 11.031 -15.755 9.746 235 HG13 ILE 31 2HG1 ILE 31 9.947 -15.402 8.409 236 HG21 ILE 31 1HG2 ILE 31 9.927 -13.282 7.269 237 HG22 ILE 31 2HG2 ILE 31 10.717 -11.864 7.978 238 HG23 ILE 31 3HG2 ILE 31 11.680 -13.037 7.056 239 HD11 ILE 31 1HD1 ILE 31 12.875 -16.063 8.336 240 HD12 ILE 31 2HD1 ILE 31 11.534 -16.761 7.412 241 HD13 ILE 31 3HD1 ILE 31 12.154 -15.159 6.987 242 H MET 32 H MET 32 13.947 -11.674 8.366 243 HA MET 32 HA MET 32 12.758 -9.363 9.841 244 HB2 MET 32 1HB MET 32 14.960 -8.257 9.712 245 HB3 MET 32 2HB MET 32 14.967 -9.689 10.720 246 HG2 MET 32 1HG MET 32 15.760 -10.773 8.368 247 HG3 MET 32 2HG MET 32 16.423 -9.148 8.227 248 HE1 MET 32 1HE MET 32 16.502 -12.609 10.021 249 HE2 MET 32 2HE MET 32 17.450 -12.286 11.493 250 HE3 MET 32 3HE MET 32 15.803 -11.643 11.346 251 H THR 33 H THR 33 12.709 -7.424 8.697 252 HA THR 33 HA THR 33 12.283 -7.851 5.786 253 HB THR 33 HB THR 33 11.721 -5.451 7.600 254 HG1 THR 33 HG1 THR 33 9.549 -6.183 7.294 255 HG21 THR 33 1HG2 THR 33 11.004 -6.007 4.707 256 HG22 THR 33 2HG2 THR 33 12.014 -4.680 5.341 257 HG23 THR 33 3HG2 THR 33 10.278 -4.717 5.698 258 H VAL 34 H VAL 34 14.016 -7.560 4.492 259 HA VAL 34 HA VAL 34 16.288 -5.936 5.348 260 HB VAL 34 HB VAL 34 15.758 -7.131 2.622 261 HG11 VAL 34 1HG1 VAL 34 18.312 -6.170 3.977 262 HG12 VAL 34 2HG1 VAL 34 18.250 -7.046 2.427 263 HG13 VAL 34 3HG1 VAL 34 17.511 -5.440 2.568 264 HG21 VAL 34 1HG2 VAL 34 17.268 -8.964 3.429 265 HG22 VAL 34 2HG2 VAL 34 17.106 -8.299 5.062 266 HG23 VAL 34 3HG2 VAL 34 15.678 -8.924 4.203 267 H LEU 35 H LEU 35 16.402 -3.852 5.158 268 HA LEU 35 HA LEU 35 14.463 -2.450 3.423 269 HB2 LEU 35 1HB LEU 35 16.474 -1.492 5.477 270 HB3 LEU 35 2HB LEU 35 15.311 -0.467 4.649 271 HG LEU 35 HG LEU 35 14.567 -2.789 6.464 272 HD11 LEU 35 1HD1 LEU 35 14.731 0.191 6.942 273 HD12 LEU 35 2HD1 LEU 35 15.668 -1.106 7.727 274 HD13 LEU 35 3HD1 LEU 35 13.924 -0.972 8.021 275 HD21 LEU 35 1HD2 LEU 35 12.806 -2.304 4.845 276 HD22 LEU 35 2HD2 LEU 35 12.902 -0.566 5.212 277 HD23 LEU 35 3HD2 LEU 35 12.323 -1.716 6.440 278 H GLU 36 H GLU 36 18.013 -2.715 4.004 279 HA GLU 36 HA GLU 36 18.350 -2.470 1.109 280 HB2 GLU 36 1HB GLU 36 19.690 -0.586 0.988 281 HB3 GLU 36 2HB GLU 36 18.339 -0.090 1.991 282 HG2 GLU 36 1HG GLU 36 19.784 -0.496 3.942 283 HG3 GLU 36 2HG GLU 36 21.121 -0.681 2.803 284 H ARG 37 H ARG 37 20.794 -2.716 0.583 285 HA ARG 37 HA ARG 37 22.044 -4.490 2.648 286 HB2 ARG 37 1HB ARG 37 22.174 -4.709 -0.374 287 HB3 ARG 37 2HB ARG 37 23.010 -5.746 0.789 288 HG2 ARG 37 1HG ARG 37 20.777 -6.501 1.634 289 HG3 ARG 37 2HG ARG 37 20.027 -5.590 0.317 290 HD2 ARG 37 1HD ARG 37 22.034 -7.840 -0.012 291 HD3 ARG 37 2HD ARG 37 20.297 -7.981 -0.269 292 HE ARG 37 HE ARG 37 20.480 -6.693 -2.256 293 HH11 ARG 37 1HH1 ARG 37 23.666 -7.126 -0.781 294 HH12 ARG 37 2HH1 ARG 37 24.504 -6.584 -2.203 295 HH21 ARG 37 1HH2 ARG 37 21.632 -6.051 -4.052 296 HH22 ARG 37 2HH2 ARG 37 23.377 -6.022 -4.019 297 H ASP 38 H ASP 38 24.299 -4.314 2.758 298 HA ASP 38 HA ASP 38 26.280 -3.258 2.767 299 HB2 ASP 38 1HB ASP 38 25.633 -2.459 -0.081 300 HB3 ASP 38 2HB ASP 38 27.234 -2.690 0.635 301 H THR 39 H THR 39 24.147 -2.059 3.867 302 HA THR 39 HA THR 39 23.609 0.635 3.125 303 HB THR 39 HB THR 39 22.087 -0.660 4.548 304 HG1 THR 39 HG1 THR 39 21.737 1.407 5.011 305 HG21 THR 39 1HG2 THR 39 24.320 -0.687 6.551 306 HG22 THR 39 2HG2 THR 39 23.520 -2.064 5.756 307 HG23 THR 39 3HG2 THR 39 22.625 -1.063 6.902 308 H GLN 40 H GLN 40 24.282 2.577 3.998 309 HA GLN 40 HA GLN 40 25.798 4.109 4.695 310 HB2 GLN 40 1HB GLN 40 26.680 2.225 6.870 311 HB3 GLN 40 2HB GLN 40 26.625 3.986 6.887 312 HG2 GLN 40 1HG GLN 40 24.056 3.661 6.627 313 HG3 GLN 40 2HG GLN 40 24.364 1.999 7.133 314 HE21 GLN 40 1HE2 GLN 40 24.523 2.796 10.527 315 HE22 GLN 40 2HE2 GLN 40 24.395 1.589 9.269 316 H GLY 41 H GLY 41 26.779 1.664 2.961 317 HA2 GLY 41 1HA GLY 41 28.773 1.441 1.771 318 HA3 GLY 41 2HA GLY 41 29.564 2.588 2.870 319 H LEU 42 H LEU 42 27.773 0.172 4.523 320 HA LEU 42 HA LEU 42 30.284 -1.109 5.382 321 HB2 LEU 42 1HB LEU 42 27.412 -1.466 6.279 322 HB3 LEU 42 2HB LEU 42 28.837 -2.108 7.087 323 HG LEU 42 HG LEU 42 28.287 0.854 6.763 324 HD11 LEU 42 1HD1 LEU 42 27.619 -1.017 9.050 325 HD12 LEU 42 2HD1 LEU 42 26.469 -0.191 7.968 326 HD13 LEU 42 3HD1 LEU 42 27.473 0.760 9.081 327 HD21 LEU 42 1HD2 LEU 42 29.845 1.014 8.688 328 HD22 LEU 42 2HD2 LEU 42 30.608 0.322 7.239 329 HD23 LEU 42 3HD2 LEU 42 30.115 -0.738 8.577 330 H ASP 43 H ASP 43 30.768 -2.264 3.472 331 HA ASP 43 HA ASP 43 28.930 -3.836 2.004 332 HB2 ASP 43 1HB ASP 43 31.913 -3.990 2.432 333 HB3 ASP 43 2HB ASP 43 31.068 -5.264 1.537 334 H GLY 44 H GLY 44 27.941 -5.711 2.309 335 HA2 GLY 44 1HA GLY 44 27.720 -7.900 3.143 336 HA3 GLY 44 2HA GLY 44 29.060 -7.630 4.259 337 H TRP 45 H TRP 45 27.459 -4.942 5.001 338 HA TRP 45 HA TRP 45 25.812 -6.299 7.055 339 HB2 TRP 45 1HB TRP 45 26.919 -3.534 6.595 340 HB3 TRP 45 2HB TRP 45 25.689 -3.799 7.793 341 HD1 TRP 45 HD1 TRP 45 29.375 -3.983 7.321 342 HE1 TRP 45 HE1 TRP 45 30.554 -4.950 9.355 343 HE3 TRP 45 HE3 TRP 45 25.243 -5.823 9.659 344 HZ2 TRP 45 HZ2 TRP 45 29.769 -6.408 11.712 345 HZ3 TRP 45 HZ3 TRP 45 25.509 -6.989 11.843 346 HH2 TRP 45 HH2 TRP 45 27.747 -7.286 12.842 347 H TRP 46 H TRP 46 23.627 -6.350 6.889 348 HA TRP 46 HA TRP 46 22.415 -4.721 4.681 349 HB2 TRP 46 1HB TRP 46 21.584 -7.406 5.841 350 HB3 TRP 46 2HB TRP 46 20.687 -6.516 4.607 351 HD1 TRP 46 HD1 TRP 46 24.085 -5.969 3.528 352 HE1 TRP 46 HE1 TRP 46 24.933 -7.608 1.808 353 HE3 TRP 46 HE3 TRP 46 20.497 -9.568 4.209 354 HZ2 TRP 46 HZ2 TRP 46 24.175 -10.210 0.849 355 HZ3 TRP 46 HZ3 TRP 46 20.651 -11.663 2.866 356 HH2 TRP 46 HH2 TRP 46 22.455 -11.968 1.186 357 H LEU 47 H LEU 47 20.965 -3.227 5.244 358 HA LEU 47 HA LEU 47 20.262 -2.858 8.053 359 HB2 LEU 47 1HB LEU 47 20.556 -0.951 6.484 360 HB3 LEU 47 2HB LEU 47 19.237 -1.565 5.500 361 HG LEU 47 HG LEU 47 17.668 -1.135 7.315 362 HD11 LEU 47 1HD1 LEU 47 20.070 -0.046 8.802 363 HD12 LEU 47 2HD1 LEU 47 19.013 -1.394 9.285 364 HD13 LEU 47 3HD1 LEU 47 18.378 0.256 9.260 365 HD21 LEU 47 1HD2 LEU 47 18.134 0.582 5.614 366 HD22 LEU 47 2HD2 LEU 47 19.409 1.259 6.648 367 HD23 LEU 47 3HD2 LEU 47 17.713 1.311 7.177 368 H CYS 48 H CYS 48 18.652 -3.921 9.042 369 HA CYS 48 HA CYS 48 16.308 -4.675 7.372 370 HB2 CYS 48 1HB CYS 48 17.529 -6.505 9.468 371 HB3 CYS 48 2HB CYS 48 16.206 -6.863 8.360 372 HG CYS 48 HG CYS 48 19.376 -6.260 7.646 373 H SER 49 H SER 49 14.486 -5.397 8.783 374 HA SER 49 HA SER 49 14.478 -3.918 11.365 375 HB2 SER 49 1HB SER 49 12.782 -2.620 10.715 376 HB3 SER 49 2HB SER 49 13.129 -3.121 9.069 377 HG SER 49 HG SER 49 10.970 -3.507 9.515 378 H LEU 50 H LEU 50 13.805 -5.082 13.023 379 HA LEU 50 HA LEU 50 12.230 -7.582 12.568 380 HB2 LEU 50 1HB LEU 50 14.673 -8.152 12.534 381 HB3 LEU 50 2HB LEU 50 14.849 -7.391 14.109 382 HG LEU 50 HG LEU 50 12.783 -9.275 14.435 383 HD11 LEU 50 1HD1 LEU 50 15.113 -10.497 12.976 384 HD12 LEU 50 2HD1 LEU 50 13.487 -10.243 12.291 385 HD13 LEU 50 3HD1 LEU 50 13.713 -11.337 13.673 386 HD21 LEU 50 1HD2 LEU 50 14.432 -8.662 16.125 387 HD22 LEU 50 2HD2 LEU 50 15.733 -9.379 15.155 388 HD23 LEU 50 3HD2 LEU 50 14.473 -10.418 15.859 389 H HIS 51 H HIS 51 10.697 -7.755 14.138 390 HA HIS 51 HA HIS 51 9.376 -7.155 15.914 391 HB2 HIS 51 1HB HIS 51 12.120 -7.145 17.183 392 HB3 HIS 51 2HB HIS 51 10.683 -6.760 18.119 393 HD1 HIS 51 HD1 HIS 51 8.917 -8.661 18.518 394 HD2 HIS 51 HD2 HIS 51 12.410 -9.859 16.595 395 HE1 HIS 51 HE1 HIS 51 8.974 -11.186 18.612 396 H GLY 52 H GLY 52 10.257 -4.963 14.094 397 HA2 GLY 52 1HA GLY 52 9.599 -2.734 14.016 398 HA3 GLY 52 2HA GLY 52 9.231 -2.792 15.741 399 H ARG 53 H ARG 53 12.386 -3.951 15.191 400 HA ARG 53 HA ARG 53 13.521 -1.275 15.905 401 HB2 ARG 53 1HB ARG 53 13.649 -3.561 17.372 402 HB3 ARG 53 2HB ARG 53 15.004 -3.866 16.298 403 HG2 ARG 53 1HG ARG 53 14.749 -1.328 17.959 404 HG3 ARG 53 2HG ARG 53 15.515 -2.806 18.551 405 HD2 ARG 53 1HD ARG 53 16.954 -2.632 16.366 406 HD3 ARG 53 2HD ARG 53 16.458 -0.932 16.392 407 HE ARG 53 HE ARG 53 17.379 -1.633 18.974 408 HH11 ARG 53 1HH1 ARG 53 18.785 -1.192 15.734 409 HH12 ARG 53 2HH1 ARG 53 20.360 -0.830 16.412 410 HH21 ARG 53 1HH2 ARG 53 19.407 -1.138 19.693 411 HH22 ARG 53 2HH2 ARG 53 20.692 -0.779 18.557 412 H GLN 54 H GLN 54 15.095 -0.535 14.541 413 HA GLN 54 HA GLN 54 15.600 -2.157 12.084 414 HB2 GLN 54 1HB GLN 54 15.060 0.643 12.628 415 HB3 GLN 54 2HB GLN 54 16.598 0.455 11.775 416 HG2 GLN 54 1HG GLN 54 15.457 -0.847 10.048 417 HG3 GLN 54 2HG GLN 54 13.928 -0.662 10.921 418 HE21 GLN 54 1HE2 GLN 54 15.525 2.749 9.248 419 HE22 GLN 54 2HE2 GLN 54 16.580 1.581 10.003 420 H GLY 55 H GLY 55 17.729 -2.497 11.366 421 HA2 GLY 55 1HA GLY 55 19.983 -1.163 12.427 422 HA3 GLY 55 2HA GLY 55 19.735 -2.624 13.397 423 H ILE 56 H ILE 56 22.073 -2.431 12.101 424 HA ILE 56 HA ILE 56 21.869 -3.701 9.457 425 HB ILE 56 HB ILE 56 24.337 -3.674 9.435 426 HG12 ILE 56 1HG1 ILE 56 24.071 -2.722 12.335 427 HG13 ILE 56 2HG1 ILE 56 24.675 -4.296 11.830 428 HG21 ILE 56 1HG2 ILE 56 22.917 -1.550 9.058 429 HG22 ILE 56 2HG2 ILE 56 23.400 -1.036 10.693 430 HG23 ILE 56 3HG2 ILE 56 24.629 -1.298 9.432 431 HD11 ILE 56 1HD1 ILE 56 25.972 -1.588 11.436 432 HD12 ILE 56 2HD1 ILE 56 26.561 -2.967 12.380 433 HD13 ILE 56 3HD1 ILE 56 26.525 -3.060 10.604 434 H VAL 57 H VAL 57 22.756 -5.729 8.938 435 HA VAL 57 HA VAL 57 22.965 -7.724 11.152 436 HB VAL 57 HB VAL 57 21.221 -7.991 8.688 437 HG11 VAL 57 1HG1 VAL 57 21.840 -9.941 10.816 438 HG12 VAL 57 2HG1 VAL 57 20.476 -10.109 9.710 439 HG13 VAL 57 3HG1 VAL 57 22.128 -10.097 9.076 440 HG21 VAL 57 1HG2 VAL 57 20.485 -7.715 11.588 441 HG22 VAL 57 2HG2 VAL 57 20.105 -6.583 10.277 442 HG23 VAL 57 3HG2 VAL 57 19.338 -8.180 10.309 443 HA PRO 58 HA PRO 58 26.216 -8.853 8.332 444 HB2 PRO 58 1HB PRO 58 26.887 -11.348 9.240 445 HB3 PRO 58 2HB PRO 58 27.288 -9.850 10.136 446 HG2 PRO 58 1HG PRO 58 24.986 -11.719 10.560 447 HG3 PRO 58 2HG PRO 58 26.138 -11.055 11.756 448 HD2 PRO 58 1HD PRO 58 23.685 -9.972 11.340 449 HD3 PRO 58 2HD PRO 58 25.097 -8.968 11.749 450 H GLY 59 H GLY 59 25.730 -9.296 6.252 451 HA2 GLY 59 1HA GLY 59 23.521 -10.872 5.429 452 HA3 GLY 59 2HA GLY 59 24.875 -10.360 4.408 453 H ASN 60 H ASN 60 26.794 -11.784 6.249 454 HA ASN 60 HA ASN 60 26.918 -14.270 4.870 455 HB2 ASN 60 1HB ASN 60 28.638 -12.814 6.414 456 HB3 ASN 60 2HB ASN 60 28.218 -14.103 7.550 457 HD21 ASN 60 1HD2 ASN 60 29.530 -16.644 5.224 458 HD22 ASN 60 2HD2 ASN 60 28.036 -16.338 6.093 459 H ARG 61 H ARG 61 24.929 -13.353 7.558 460 HA ARG 61 HA ARG 61 24.481 -16.247 8.203 461 HB2 ARG 61 1HB ARG 61 23.966 -13.764 9.884 462 HB3 ARG 61 2HB ARG 61 23.582 -15.422 10.360 463 HG2 ARG 61 1HG ARG 61 26.020 -15.983 10.165 464 HG3 ARG 61 2HG ARG 61 26.348 -14.263 9.884 465 HD2 ARG 61 1HD ARG 61 25.334 -13.714 12.066 466 HD3 ARG 61 2HD ARG 61 24.981 -15.432 12.322 467 HE ARG 61 HE ARG 61 27.783 -15.054 11.779 468 HH11 ARG 61 1HH1 ARG 61 25.423 -14.713 14.406 469 HH12 ARG 61 2HH1 ARG 61 26.661 -14.847 15.633 470 HH21 ARG 61 1HH2 ARG 61 29.259 -15.244 13.376 471 HH22 ARG 61 2HH2 ARG 61 28.794 -15.134 15.063 472 H LEU 62 H LEU 62 23.247 -14.089 6.167 473 HA LEU 62 HA LEU 62 20.417 -14.747 6.866 474 HB2 LEU 62 1HB LEU 62 21.733 -12.259 5.921 475 HB3 LEU 62 2HB LEU 62 20.193 -12.654 5.176 476 HG LEU 62 HG LEU 62 20.683 -12.246 8.120 477 HD11 LEU 62 1HD1 LEU 62 20.763 -10.211 6.746 478 HD12 LEU 62 2HD1 LEU 62 19.315 -10.238 7.767 479 HD13 LEU 62 3HD1 LEU 62 19.180 -10.632 6.036 480 HD21 LEU 62 1HD2 LEU 62 18.195 -13.060 6.638 481 HD22 LEU 62 2HD2 LEU 62 18.132 -12.220 8.198 482 HD23 LEU 62 3HD2 LEU 62 18.930 -13.787 8.079 483 H LYS 63 H LYS 63 18.958 -15.169 5.323 484 HA LYS 63 HA LYS 63 20.024 -15.581 2.549 485 HB2 LYS 63 1HB LYS 63 19.679 -17.797 3.541 486 HB3 LYS 63 2HB LYS 63 18.066 -17.330 4.082 487 HG2 LYS 63 1HG LYS 63 17.336 -17.136 1.717 488 HG3 LYS 63 2HG LYS 63 18.958 -17.584 1.182 489 HD2 LYS 63 1HD LYS 63 17.577 -19.535 1.045 490 HD3 LYS 63 2HD LYS 63 18.676 -19.769 2.419 491 HE2 LYS 63 1HE LYS 63 16.971 -19.801 3.907 492 HE3 LYS 63 2HE LYS 63 16.176 -18.411 3.146 493 HZ1 LYS 63 1HZ LYS 63 14.739 -20.199 2.806 494 HZ2 LYS 63 2HZ LYS 63 15.943 -21.255 2.418 495 HZ3 LYS 63 3HZ LYS 63 15.512 -20.069 1.352 496 H ILE 64 H ILE 64 19.070 -14.259 1.203 497 HA ILE 64 HA ILE 64 16.682 -12.799 1.901 498 HB ILE 64 HB ILE 64 18.027 -13.209 -0.805 499 HG12 ILE 64 1HG1 ILE 64 19.584 -12.209 0.819 500 HG13 ILE 64 2HG1 ILE 64 19.140 -11.093 -0.455 501 HG21 ILE 64 1HG2 ILE 64 15.964 -11.242 0.190 502 HG22 ILE 64 2HG2 ILE 64 16.904 -10.980 -1.298 503 HG23 ILE 64 3HG2 ILE 64 15.818 -12.382 -1.161 504 HD11 ILE 64 1HD1 ILE 64 18.169 -11.034 2.423 505 HD12 ILE 64 2HD1 ILE 64 19.199 -9.853 1.597 506 HD13 ILE 64 3HD1 ILE 64 17.496 -9.989 1.146 507 H LEU 65 H LEU 65 14.605 -13.415 1.666 508 HA LEU 65 HA LEU 65 14.067 -15.996 0.327 509 HB2 LEU 65 1HB LEU 65 12.240 -14.156 1.906 510 HB3 LEU 65 2HB LEU 65 11.851 -15.783 1.354 511 HG LEU 65 HG LEU 65 14.002 -15.087 3.376 512 HD11 LEU 65 1HD1 LEU 65 11.251 -16.322 3.702 513 HD12 LEU 65 2HD1 LEU 65 11.757 -14.700 4.236 514 HD13 LEU 65 3HD1 LEU 65 12.476 -16.137 4.980 515 HD21 LEU 65 1HD2 LEU 65 14.011 -17.557 3.782 516 HD22 LEU 65 2HD2 LEU 65 14.633 -17.088 2.188 517 HD23 LEU 65 3HD2 LEU 65 12.985 -17.755 2.341 518 H VAL 66 H VAL 66 14.737 -14.739 -1.724 519 HA VAL 66 HA VAL 66 12.716 -13.011 -2.923 520 HB VAL 66 HB VAL 66 14.049 -13.967 -5.092 521 HG11 VAL 66 1HG1 VAL 66 13.908 -11.621 -4.444 522 HG12 VAL 66 2HG1 VAL 66 15.103 -11.875 -3.154 523 HG13 VAL 66 3HG1 VAL 66 15.582 -12.045 -4.856 524 HG21 VAL 66 1HG2 VAL 66 16.134 -14.201 -2.861 525 HG22 VAL 66 2HG2 VAL 66 15.370 -15.595 -3.680 526 HG23 VAL 66 3HG2 VAL 66 16.375 -14.462 -4.600 527 H GLY 67 H GLY 67 12.815 -16.314 -2.238 528 HA2 GLY 67 1HA GLY 67 10.309 -16.850 -3.406 529 HA3 GLY 67 2HA GLY 67 11.560 -17.470 -4.511 530 H MET 68 H MET 68 10.099 -19.443 -3.447 531 HA MET 68 HA MET 68 11.241 -20.317 -0.899 532 HB2 MET 68 1HB MET 68 8.889 -20.802 -1.520 533 HB3 MET 68 2HB MET 68 9.450 -21.807 -2.861 534 HG2 MET 68 1HG MET 68 8.784 -23.133 -0.865 535 HG3 MET 68 2HG MET 68 10.475 -23.382 -1.320 536 HE1 MET 68 1HE MET 68 11.587 -24.242 0.806 537 HE2 MET 68 2HE MET 68 12.535 -22.896 0.140 538 HE3 MET 68 3HE MET 68 12.270 -23.012 1.895 539 H TYR 69 H TYR 69 13.456 -20.191 -1.575 540 HA TYR 69 HA TYR 69 14.336 -22.688 -2.949 541 HB2 TYR 69 1HB TYR 69 15.646 -19.964 -3.285 542 HB3 TYR 69 2HB TYR 69 16.080 -21.468 -4.106 543 HD1 TYR 69 HD1 TYR 69 14.526 -18.384 -4.583 544 HD2 TYR 69 HD2 TYR 69 13.861 -22.562 -5.398 545 HE1 TYR 69 HE1 TYR 69 12.986 -17.784 -6.453 546 HE2 TYR 69 HE2 TYR 69 12.319 -21.949 -7.257 547 HH TYR 69 HH TYR 69 11.289 -20.241 -8.400 548 H ASP 70 H ASP 70 16.281 -23.536 -2.119 549 HA ASP 70 HA ASP 70 17.568 -22.078 0.120 550 HB2 ASP 70 1HB ASP 70 15.959 -24.549 0.316 551 HB3 ASP 70 2HB ASP 70 17.593 -24.695 0.989 552 H LYS 71 H LYS 71 19.677 -22.803 0.488 553 HA LYS 71 HA LYS 71 21.706 -22.851 -0.826 554 HB2 LYS 71 1HB LYS 71 21.011 -25.607 0.237 555 HB3 LYS 71 2HB LYS 71 22.638 -25.081 -0.222 556 HG2 LYS 71 1HG LYS 71 22.488 -23.251 1.502 557 HG3 LYS 71 2HG LYS 71 20.931 -23.914 2.027 558 HD2 LYS 71 1HD LYS 71 22.051 -26.075 2.584 559 HD3 LYS 71 2HD LYS 71 23.608 -25.393 2.076 560 HE2 LYS 71 1HE LYS 71 23.409 -23.640 3.845 561 HE3 LYS 71 2HE LYS 71 21.864 -24.342 4.354 562 HZ1 LYS 71 1HZ LYS 71 24.488 -25.736 4.482 563 HZ2 LYS 71 2HZ LYS 71 23.050 -26.368 4.974 564 HZ3 LYS 71 3HZ LYS 71 23.697 -25.077 5.775 565 H LYS 72 H LYS 72 20.829 -22.489 -3.070 566 HA LYS 72 HA LYS 72 20.346 -24.699 -4.819 567 HB2 LYS 72 1HB LYS 72 21.414 -21.908 -5.425 568 HB3 LYS 72 2HB LYS 72 20.936 -23.089 -6.649 569 HG2 LYS 72 1HG LYS 72 18.617 -23.110 -5.619 570 HG3 LYS 72 2HG LYS 72 19.140 -21.789 -4.560 571 HD2 LYS 72 1HD LYS 72 17.988 -20.752 -6.364 572 HD3 LYS 72 2HD LYS 72 19.710 -20.477 -6.691 573 HE2 LYS 72 1HE LYS 72 19.703 -22.371 -8.306 574 HE3 LYS 72 2HE LYS 72 17.990 -22.679 -7.935 575 HZ1 LYS 72 1HZ LYS 72 17.475 -20.469 -8.811 576 HZ2 LYS 72 2HZ LYS 72 18.236 -21.381 -9.958 577 HZ3 LYS 72 3HZ LYS 72 19.065 -20.196 -9.167 578 HA PRO 73 HA PRO 73 24.228 -26.428 -4.930 579 HB2 PRO 73 1HB PRO 73 24.597 -27.382 -7.492 580 HB3 PRO 73 2HB PRO 73 23.448 -28.103 -6.321 581 HG2 PRO 73 1HG PRO 73 22.907 -26.079 -8.486 582 HG3 PRO 73 2HG PRO 73 22.058 -27.626 -8.152 583 HD2 PRO 73 1HD PRO 73 21.059 -25.317 -7.259 584 HD3 PRO 73 2HD PRO 73 21.038 -26.771 -6.204 585 H ALA 74 H ALA 74 26.271 -25.921 -5.036 586 HA ALA 74 HA ALA 74 27.500 -24.461 -7.225 587 HB1 ALA 74 1HB ALA 74 26.515 -22.540 -6.027 588 HB2 ALA 74 2HB ALA 74 27.198 -23.114 -4.486 589 HB3 ALA 74 3HB ALA 74 28.279 -22.558 -5.787 590 H GLY 75 H GLY 75 27.764 -25.308 -3.733 591 HA2 GLY 75 1HA GLY 75 30.595 -25.799 -3.892 592 HA3 GLY 75 2HA GLY 75 29.527 -26.192 -2.542 593 H SER 76 H SER 76 27.973 -27.709 -4.871 594 HA SER 76 HA SER 76 27.722 -29.864 -5.529 595 HB2 SER 76 1HB SER 76 30.734 -29.790 -5.832 596 HB3 SER 76 2HB SER 76 29.594 -30.853 -6.691 597 HG SER 76 HG SER 76 29.998 -28.070 -6.946 598 H GLY 77 H GLY 77 28.489 -29.474 -2.538 599 HA2 GLY 77 1HA GLY 77 28.309 -32.269 -1.880 600 HA3 GLY 77 2HA GLY 77 29.943 -31.628 -1.565 601 H GLY 78 H GLY 78 28.802 -32.337 0.717 602 HA2 GLY 78 1HA GLY 78 28.204 -31.499 2.782 603 HA3 GLY 78 2HA GLY 78 28.540 -29.886 2.136 604 H SER 79 H SER 79 26.068 -32.201 1.022 605 HA SER 79 HA SER 79 24.091 -30.272 0.629 606 HB2 SER 79 1HB SER 79 24.069 -32.564 -0.300 607 HB3 SER 79 2HB SER 79 23.699 -33.211 1.311 608 HG SER 79 HG SER 79 21.816 -32.924 0.031 609 H GLY 80 H GLY 80 24.499 -32.330 3.557 610 HA2 GLY 80 1HA GLY 80 23.898 -31.806 5.735 611 HA3 GLY 80 2HA GLY 80 23.286 -30.247 5.172 612 H SER 81 H SER 81 22.496 -33.640 5.737 613 HA SER 81 HA SER 81 19.605 -32.896 5.642 614 HB2 SER 81 1HB SER 81 20.177 -34.280 3.682 615 HB3 SER 81 2HB SER 81 20.859 -35.520 4.758 616 HG SER 81 HG SER 81 18.826 -35.849 5.630 617 H GLY 82 H GLY 82 19.887 -32.441 7.929 618 HA2 GLY 82 1HA GLY 82 19.023 -34.537 9.588 619 HA3 GLY 82 2HA GLY 82 20.787 -34.407 9.789 620 H LEU 83 H LEU 83 19.557 -33.808 12.044 621 HA LEU 83 HA LEU 83 19.509 -30.815 12.103 622 HB2 LEU 83 1HB LEU 83 17.767 -32.827 13.543 623 HB3 LEU 83 2HB LEU 83 18.135 -31.266 14.265 624 HG LEU 83 HG LEU 83 17.148 -30.165 12.207 625 HD11 LEU 83 1HD1 LEU 83 16.116 -32.989 11.726 626 HD12 LEU 83 2HD1 LEU 83 17.086 -31.993 10.620 627 HD13 LEU 83 3HD1 LEU 83 15.421 -31.524 10.990 628 HD21 LEU 83 1HD2 LEU 83 15.356 -31.895 13.959 629 HD22 LEU 83 2HD2 LEU 83 14.867 -30.437 13.073 630 HD23 LEU 83 3HD2 LEU 83 16.032 -30.309 14.407 631 H THR 84 H THR 84 21.457 -30.304 12.854 632 HA THR 84 HA THR 84 22.288 -31.392 15.488 633 HB THR 84 HB THR 84 24.692 -31.384 14.614 634 HG1 THR 84 HG1 THR 84 24.458 -30.244 12.725 635 HG21 THR 84 1HG2 THR 84 24.618 -33.575 13.559 636 HG22 THR 84 2HG2 THR 84 22.886 -33.381 13.207 637 HG23 THR 84 3HG2 THR 84 23.439 -33.522 14.893 638 H ASP 85 H ASP 85 24.045 -29.863 16.349 639 HA ASP 85 HA ASP 85 23.279 -27.120 16.007 640 HB2 ASP 85 1HB ASP 85 25.767 -28.409 17.186 641 HB3 ASP 85 2HB ASP 85 25.368 -26.688 17.319 642 H GLU 86 H GLU 86 24.369 -25.457 14.891 643 HA GLU 86 HA GLU 86 26.453 -26.284 12.933 644 HB2 GLU 86 1HB GLU 86 24.073 -26.388 11.962 645 HB3 GLU 86 2HB GLU 86 24.007 -24.641 12.200 646 HG2 GLU 86 1HG GLU 86 26.035 -24.441 10.712 647 HG3 GLU 86 2HG GLU 86 25.905 -26.176 10.391 648 H LEU 87 H LEU 87 28.081 -25.030 13.671 649 HA LEU 87 HA LEU 87 27.646 -22.608 15.134 650 HB2 LEU 87 1HB LEU 87 30.133 -23.722 13.802 651 HB3 LEU 87 2HB LEU 87 30.130 -22.338 14.895 652 HG LEU 87 HG LEU 87 29.196 -25.125 15.686 653 HD11 LEU 87 1HD1 LEU 87 31.577 -25.149 15.086 654 HD12 LEU 87 2HD1 LEU 87 31.371 -25.326 16.839 655 HD13 LEU 87 3HD1 LEU 87 31.880 -23.762 16.160 656 HD21 LEU 87 1HD2 LEU 87 29.509 -24.257 18.003 657 HD22 LEU 87 2HD2 LEU 87 28.257 -23.367 17.118 658 HD23 LEU 87 3HD2 LEU 87 29.872 -22.648 17.334 659 H ALA 88 H ALA 88 27.838 -20.504 14.599 660 HA ALA 88 HA ALA 88 27.103 -19.923 11.887 661 HB1 ALA 88 1HB ALA 88 27.665 -18.007 14.172 662 HB2 ALA 88 2HB ALA 88 26.690 -17.702 12.712 663 HB3 ALA 88 3HB ALA 88 26.125 -18.866 13.926 664 HA PRO 89 HA PRO 89 31.074 -18.626 10.407 665 HB2 PRO 89 1HB PRO 89 30.377 -17.082 8.274 666 HB3 PRO 89 2HB PRO 89 30.091 -18.853 8.279 667 HG2 PRO 89 1HG PRO 89 28.193 -16.629 8.962 668 HG3 PRO 89 2HG PRO 89 27.970 -17.985 7.812 669 HD2 PRO 89 1HD PRO 89 27.008 -18.071 10.336 670 HD3 PRO 89 2HD PRO 89 27.659 -19.536 9.528 671 HA PRO 90 HA PRO 90 31.917 -14.663 12.191 672 HB2 PRO 90 1HB PRO 90 33.472 -13.923 9.721 673 HB3 PRO 90 2HB PRO 90 33.994 -13.904 11.433 674 HG2 PRO 90 1HG PRO 90 34.867 -15.801 9.827 675 HG3 PRO 90 2HG PRO 90 34.300 -16.222 11.477 676 HD2 PRO 90 1HD PRO 90 32.821 -16.460 8.852 677 HD3 PRO 90 2HD PRO 90 33.012 -17.671 10.168 678 H LYS 91 H LYS 91 31.562 -12.361 12.005 679 HA LYS 91 HA LYS 91 29.624 -11.604 9.868 680 HB2 LYS 91 1HB LYS 91 29.162 -9.648 11.370 681 HB3 LYS 91 2HB LYS 91 28.778 -11.203 12.109 682 HG2 LYS 91 1HG LYS 91 30.829 -11.118 13.454 683 HG3 LYS 91 2HG LYS 91 31.319 -9.618 12.647 684 HD2 LYS 91 1HD LYS 91 30.413 -9.051 14.800 685 HD3 LYS 91 2HD LYS 91 29.285 -8.496 13.564 686 HE2 LYS 91 1HE LYS 91 27.800 -10.411 13.999 687 HE3 LYS 91 2HE LYS 91 28.986 -11.080 15.151 688 HZ1 LYS 91 1HZ LYS 91 28.697 -9.085 16.497 689 HZ2 LYS 91 2HZ LYS 91 27.260 -9.880 16.311 690 HZ3 LYS 91 3HZ LYS 91 27.542 -8.507 15.448 691 HA PRO 92 HA PRO 92 32.953 -9.242 8.176 692 HB2 PRO 92 1HB PRO 92 31.703 -7.064 7.053 693 HB3 PRO 92 2HB PRO 92 31.615 -8.710 6.349 694 HG2 PRO 92 1HG PRO 92 29.650 -7.292 8.083 695 HG3 PRO 92 2HG PRO 92 29.369 -8.209 6.586 696 HD2 PRO 92 1HD PRO 92 28.951 -9.244 9.049 697 HD3 PRO 92 2HD PRO 92 29.526 -10.252 7.681 698 HA PRO 93 HA PRO 93 33.928 -6.353 11.335 699 HB2 PRO 93 1HB PRO 93 35.814 -4.725 10.247 700 HB3 PRO 93 2HB PRO 93 36.110 -6.475 10.479 701 HG2 PRO 93 1HG PRO 93 35.176 -5.030 8.006 702 HG3 PRO 93 2HG PRO 93 36.554 -6.162 8.197 703 HD2 PRO 93 1HD PRO 93 34.153 -6.992 7.282 704 HD3 PRO 93 2HD PRO 93 35.147 -8.032 8.362 705 H LEU 94 H LEU 94 34.201 -3.912 11.849 706 HA LEU 94 HA LEU 94 32.372 -2.241 10.220 707 HB2 LEU 94 1HB LEU 94 32.255 -2.872 13.178 708 HB3 LEU 94 2HB LEU 94 31.682 -1.320 12.583 709 HG LEU 94 HG LEU 94 30.585 -4.020 11.742 710 HD11 LEU 94 1HD1 LEU 94 29.386 -1.808 13.416 711 HD12 LEU 94 2HD1 LEU 94 30.094 -3.307 14.069 712 HD13 LEU 94 3HD1 LEU 94 28.658 -3.384 13.031 713 HD21 LEU 94 1HD2 LEU 94 30.335 -2.402 9.942 714 HD22 LEU 94 2HD2 LEU 94 29.681 -1.187 11.070 715 HD23 LEU 94 3HD2 LEU 94 28.776 -2.673 10.709 716 HA PRO 95 HA PRO 95 35.570 0.742 10.850 717 HB2 PRO 95 1HB PRO 95 34.259 3.091 10.530 718 HB3 PRO 95 2HB PRO 95 34.376 1.911 9.185 719 HG2 PRO 95 1HG PRO 95 32.141 2.320 11.152 720 HG3 PRO 95 2HG PRO 95 32.069 2.272 9.359 721 HD2 PRO 95 1HD PRO 95 31.527 0.085 10.875 722 HD3 PRO 95 2HD PRO 95 32.341 -0.049 9.292 723 H GLU 96 H GLU 96 36.184 2.697 12.097 724 HA GLU 96 HA GLU 96 35.123 2.536 14.880 725 HB2 GLU 96 1HB GLU 96 37.807 3.488 13.812 726 HB3 GLU 96 2HB GLU 96 37.341 3.428 15.523 727 HG2 GLU 96 1HG GLU 96 37.106 0.974 15.386 728 HG3 GLU 96 2HG GLU 96 37.544 1.023 13.668 729 H GLY 97 H GLY 97 33.552 4.051 13.170 730 HA2 GLY 97 1HA GLY 97 33.757 6.649 14.435 731 HA3 GLY 97 2HA GLY 97 34.145 6.712 12.706 732 H GLU 98 H GLU 98 31.844 7.801 14.318 733 HA GLU 98 HA GLU 98 29.634 6.595 12.711 734 HB2 GLU 98 1HB GLU 98 28.205 6.679 14.738 735 HB3 GLU 98 2HB GLU 98 29.576 5.578 14.918 736 HG2 GLU 98 1HG GLU 98 30.802 7.346 16.201 737 HG3 GLU 98 2HG GLU 98 29.367 8.376 16.104 738 H VAL 99 H VAL 99 31.173 9.112 12.356 739 HA VAL 99 HA VAL 99 29.047 11.102 12.999 740 HB VAL 99 HB VAL 99 30.811 12.850 12.673 741 HG11 VAL 99 1HG1 VAL 99 31.718 12.514 14.984 742 HG12 VAL 99 2HG1 VAL 99 30.005 12.090 14.923 743 HG13 VAL 99 3HG1 VAL 99 31.225 10.814 14.949 744 HG21 VAL 99 1HG2 VAL 99 32.526 11.426 11.440 745 HG22 VAL 99 2HG2 VAL 99 33.190 12.220 12.868 746 HG23 VAL 99 3HG2 VAL 99 32.798 10.500 12.928 747 HXT VAL 99 H02 VAL 99 27.890 10.780 11.601 Start of MODEL 22 1 H2 GLY 1 2H0 GLY 1 2.669 3.896 -5.161 2 H GLY 1 1H0 GLY 1 2.686 5.107 -6.306 3 HA2 GLY 1 1HA GLY 1 3.523 2.272 -6.790 4 HA3 GLY 1 2HA GLY 1 3.589 3.577 -7.993 5 H SER 2 H SER 2 4.413 5.122 -5.344 6 HA SER 2 HA SER 2 7.284 5.003 -5.915 7 HB2 SER 2 1HB SER 2 5.784 6.444 -3.690 8 HB3 SER 2 2HB SER 2 7.465 6.736 -4.190 9 HG SER 2 HG SER 2 6.522 7.230 -6.319 10 H MET 3 H MET 3 8.901 4.282 -4.446 11 HA MET 3 HA MET 3 7.920 2.526 -2.233 12 HB2 MET 3 1HB MET 3 10.087 1.915 -4.282 13 HB3 MET 3 2HB MET 3 9.677 0.902 -2.890 14 HG2 MET 3 1HG MET 3 7.443 0.499 -3.816 15 HG3 MET 3 2HG MET 3 7.811 1.556 -5.195 16 HE1 MET 3 1HE MET 3 7.907 -1.891 -6.988 17 HE2 MET 3 2HE MET 3 6.766 -1.358 -5.731 18 HE3 MET 3 3HE MET 3 7.277 -0.226 -7.007 19 H LYS 4 H LYS 4 9.662 2.002 -0.679 20 HA LYS 4 HA LYS 4 12.025 3.798 -0.725 21 HB2 LYS 4 1HB LYS 4 10.055 3.520 1.590 22 HB3 LYS 4 2HB LYS 4 11.709 4.112 1.783 23 HG2 LYS 4 1HG LYS 4 11.195 5.972 0.224 24 HG3 LYS 4 2HG LYS 4 9.511 5.411 0.148 25 HD2 LYS 4 1HD LYS 4 9.307 5.695 2.598 26 HD3 LYS 4 2HD LYS 4 10.984 6.271 2.671 27 HE2 LYS 4 1HE LYS 4 8.731 7.592 1.103 28 HE3 LYS 4 2HE LYS 4 9.337 8.133 2.683 29 HZ1 LYS 4 1HZ LYS 4 11.501 8.509 1.651 30 HZ2 LYS 4 2HZ LYS 4 10.340 9.385 0.872 31 HZ3 LYS 4 3HZ LYS 4 10.935 8.009 0.185 32 H TYR 5 H TYR 5 13.747 2.546 -0.202 33 HA TYR 5 HA TYR 5 14.982 0.731 0.235 34 HB2 TYR 5 1HB TYR 5 12.865 0.452 2.368 35 HB3 TYR 5 2HB TYR 5 14.180 -0.670 2.200 36 HD1 TYR 5 HD1 TYR 5 16.574 0.809 1.666 37 HD2 TYR 5 HD2 TYR 5 13.243 1.937 4.157 38 HE1 TYR 5 HE1 TYR 5 18.064 2.284 2.996 39 HE2 TYR 5 HE2 TYR 5 14.767 3.410 5.492 40 HH TYR 5 HH TYR 5 18.272 3.640 4.782 41 H LEU 6 H LEU 6 14.947 -1.773 0.523 42 HA LEU 6 HA LEU 6 13.773 -2.714 -1.956 43 HB2 LEU 6 1HB LEU 6 15.224 -4.229 0.238 44 HB3 LEU 6 2HB LEU 6 14.908 -4.818 -1.386 45 HG LEU 6 HG LEU 6 16.750 -2.512 -0.723 46 HD11 LEU 6 1HD1 LEU 6 17.363 -5.406 -1.464 47 HD12 LEU 6 2HD1 LEU 6 17.581 -4.671 0.143 48 HD13 LEU 6 3HD1 LEU 6 18.562 -4.112 -1.227 49 HD21 LEU 6 1HD2 LEU 6 15.827 -2.321 -2.982 50 HD22 LEU 6 2HD2 LEU 6 16.261 -4.012 -3.324 51 HD23 LEU 6 3HD2 LEU 6 17.533 -2.796 -3.051 52 H ASN 7 H ASN 7 13.048 -3.141 1.450 53 HA ASN 7 HA ASN 7 11.376 -4.184 2.597 54 HB2 ASN 7 1HB ASN 7 9.754 -3.786 0.054 55 HB3 ASN 7 2HB ASN 7 9.117 -4.037 1.683 56 HD21 ASN 7 1HD2 ASN 7 10.580 -0.681 2.590 57 HD22 ASN 7 2HD2 ASN 7 11.004 -2.318 3.046 58 H VAL 8 H VAL 8 13.083 -6.157 1.603 59 HA VAL 8 HA VAL 8 11.225 -8.255 0.585 60 HB VAL 8 HB VAL 8 12.913 -9.124 -0.678 61 HG11 VAL 8 1HG1 VAL 8 14.440 -6.600 0.044 62 HG12 VAL 8 2HG1 VAL 8 14.612 -7.581 -1.428 63 HG13 VAL 8 3HG1 VAL 8 13.109 -6.686 -1.147 64 HG21 VAL 8 1HG2 VAL 8 14.757 -8.644 1.662 65 HG22 VAL 8 2HG2 VAL 8 14.140 -10.181 1.043 66 HG23 VAL 8 3HG2 VAL 8 15.327 -9.258 0.105 67 H LEU 9 H LEU 9 11.407 -10.396 1.556 68 HA LEU 9 HA LEU 9 11.957 -10.175 4.483 69 HB2 LEU 9 1HB LEU 9 10.630 -12.375 2.866 70 HB3 LEU 9 2HB LEU 9 10.784 -12.342 4.621 71 HG LEU 9 HG LEU 9 9.171 -10.380 2.950 72 HD11 LEU 9 1HD1 LEU 9 7.225 -11.515 3.924 73 HD12 LEU 9 2HD1 LEU 9 8.295 -12.642 4.790 74 HD13 LEU 9 3HD1 LEU 9 8.228 -12.659 3.012 75 HD21 LEU 9 1HD2 LEU 9 9.966 -9.273 4.968 76 HD22 LEU 9 2HD2 LEU 9 9.477 -10.662 5.970 77 HD23 LEU 9 3HD2 LEU 9 8.250 -9.662 5.160 78 H ALA 10 H ALA 10 13.492 -11.403 5.550 79 HA ALA 10 HA ALA 10 15.007 -13.394 3.922 80 HB1 ALA 10 1HB ALA 10 16.291 -11.225 5.622 81 HB2 ALA 10 2HB ALA 10 17.142 -12.502 4.718 82 HB3 ALA 10 3HB ALA 10 16.237 -11.246 3.848 83 H LYS 11 H LYS 11 15.899 -15.111 5.081 84 HA LYS 11 HA LYS 11 14.923 -15.338 7.898 85 HB2 LYS 11 1HB LYS 11 14.076 -17.075 6.466 86 HB3 LYS 11 2HB LYS 11 15.675 -17.435 5.825 87 HG2 LYS 11 1HG LYS 11 16.367 -18.501 7.795 88 HG3 LYS 11 2HG LYS 11 15.123 -17.723 8.782 89 HD2 LYS 11 1HD LYS 11 14.445 -19.715 6.611 90 HD3 LYS 11 2HD LYS 11 14.824 -20.198 8.281 91 HE2 LYS 11 1HE LYS 11 13.024 -18.140 8.653 92 HE3 LYS 11 2HE LYS 11 12.398 -18.911 7.190 93 HZ1 LYS 11 1HZ LYS 11 12.343 -21.008 8.457 94 HZ2 LYS 11 2HZ LYS 11 11.415 -19.842 9.171 95 HZ3 LYS 11 3HZ LYS 11 12.883 -20.218 9.806 96 H ALA 12 H ALA 12 16.327 -15.739 9.538 97 HA ALA 12 HA ALA 12 19.193 -15.480 9.123 98 HB1 ALA 12 1HB ALA 12 18.044 -14.649 11.113 99 HB2 ALA 12 2HB ALA 12 17.528 -16.298 11.524 100 HB3 ALA 12 3HB ALA 12 19.247 -15.875 11.549 101 H LEU 13 H LEU 13 20.656 -17.074 8.680 102 HA LEU 13 HA LEU 13 19.763 -19.910 8.745 103 HB2 LEU 13 1HB LEU 13 22.427 -18.651 8.047 104 HB3 LEU 13 2HB LEU 13 22.058 -20.353 7.928 105 HG LEU 13 HG LEU 13 21.960 -19.819 5.784 106 HD11 LEU 13 1HD1 LEU 13 19.733 -19.625 4.934 107 HD12 LEU 13 2HD1 LEU 13 19.142 -18.906 6.449 108 HD13 LEU 13 3HD1 LEU 13 19.670 -20.611 6.407 109 HD21 LEU 13 1HD2 LEU 13 21.522 -17.704 4.832 110 HD22 LEU 13 2HD2 LEU 13 22.524 -17.448 6.256 111 HD23 LEU 13 3HD2 LEU 13 20.777 -17.113 6.335 112 H TYR 14 H TYR 14 21.458 -17.621 10.667 113 HA TYR 14 HA TYR 14 22.168 -19.716 12.645 114 HB2 TYR 14 1HB TYR 14 24.042 -17.486 11.756 115 HB3 TYR 14 2HB TYR 14 24.370 -18.732 12.966 116 HD1 TYR 14 HD1 TYR 14 24.244 -17.944 9.375 117 HD2 TYR 14 HD2 TYR 14 24.825 -21.094 12.246 118 HE1 TYR 14 HE1 TYR 14 25.180 -19.403 7.583 119 HE2 TYR 14 HE2 TYR 14 25.795 -22.527 10.455 120 HH TYR 14 HH TYR 14 26.369 -22.702 8.269 121 H ASP 15 H ASP 15 22.487 -18.510 14.803 122 HA ASP 15 HA ASP 15 20.603 -16.256 14.888 123 HB2 ASP 15 1HB ASP 15 20.878 -16.416 17.295 124 HB3 ASP 15 2HB ASP 15 20.545 -18.012 16.623 125 H ASN 16 H ASN 16 21.289 -14.312 16.224 126 HA ASN 16 HA ASN 16 24.142 -13.634 15.789 127 HB2 ASN 16 1HB ASN 16 22.677 -12.876 13.802 128 HB3 ASN 16 2HB ASN 16 21.941 -11.738 14.938 129 HD21 ASN 16 1HD2 ASN 16 24.496 -9.426 14.464 130 HD22 ASN 16 2HD2 ASN 16 22.797 -9.761 14.766 131 H VAL 17 H VAL 17 24.938 -12.347 17.335 132 HA VAL 17 HA VAL 17 23.028 -11.297 19.370 133 HB VAL 17 HB VAL 17 25.975 -12.077 19.665 134 HG11 VAL 17 1HG1 VAL 17 23.981 -11.025 21.729 135 HG12 VAL 17 2HG1 VAL 17 25.627 -11.601 22.081 136 HG13 VAL 17 3HG1 VAL 17 25.394 -10.148 21.089 137 HG21 VAL 17 1HG2 VAL 17 25.119 -13.856 21.182 138 HG22 VAL 17 2HG2 VAL 17 23.449 -13.382 20.787 139 HG23 VAL 17 3HG2 VAL 17 24.505 -14.062 19.527 140 H ALA 18 H ALA 18 22.923 -9.163 19.365 141 HA ALA 18 HA ALA 18 24.475 -7.651 17.443 142 HB1 ALA 18 1HB ALA 18 23.123 -5.752 18.324 143 HB2 ALA 18 2HB ALA 18 22.129 -7.131 17.805 144 HB3 ALA 18 3HB ALA 18 22.424 -6.845 19.540 145 H GLU 19 H GLU 19 26.444 -6.928 17.835 146 HA GLU 19 HA GLU 19 27.302 -6.570 20.689 147 HB2 GLU 19 1HB GLU 19 28.872 -6.953 18.112 148 HB3 GLU 19 2HB GLU 19 29.600 -6.680 19.705 149 HG2 GLU 19 1HG GLU 19 28.570 -8.732 20.549 150 HG3 GLU 19 2HG GLU 19 27.791 -9.014 18.993 151 H SER 20 H SER 20 26.710 -5.005 17.652 152 HA SER 20 HA SER 20 27.868 -2.442 18.657 153 HB2 SER 20 1HB SER 20 26.784 -3.238 15.922 154 HB3 SER 20 2HB SER 20 27.515 -1.672 16.332 155 HG SER 20 HG SER 20 29.000 -3.162 15.373 156 HA PRO 21 HA PRO 21 23.827 -1.127 19.688 157 HB2 PRO 21 1HB PRO 21 23.948 1.585 19.315 158 HB3 PRO 21 2HB PRO 21 24.837 0.744 20.628 159 HG2 PRO 21 1HG PRO 21 25.845 1.591 17.918 160 HG3 PRO 21 2HG PRO 21 26.568 1.874 19.532 161 HD2 PRO 21 1HD PRO 21 27.413 -0.105 17.966 162 HD3 PRO 21 2HD PRO 21 27.291 -0.303 19.750 163 H ASP 22 H ASP 22 25.020 -0.717 16.474 164 HA ASP 22 HA ASP 22 22.438 0.230 15.394 165 HB2 ASP 22 1HB ASP 22 24.981 0.708 14.672 166 HB3 ASP 22 2HB ASP 22 24.714 -0.730 13.698 167 H GLU 23 H GLU 23 23.913 -2.695 16.307 168 HA GLU 23 HA GLU 23 23.031 -4.186 13.960 169 HB2 GLU 23 1HB GLU 23 25.230 -4.470 15.179 170 HB3 GLU 23 2HB GLU 23 24.324 -5.244 16.479 171 HG2 GLU 23 1HG GLU 23 23.555 -6.969 14.897 172 HG3 GLU 23 2HG GLU 23 24.427 -6.156 13.593 173 H LEU 24 H LEU 24 21.638 -5.945 13.944 174 HA LEU 24 HA LEU 24 19.594 -5.945 16.120 175 HB2 LEU 24 1HB LEU 24 19.628 -7.167 13.351 176 HB3 LEU 24 2HB LEU 24 18.374 -7.492 14.537 177 HG LEU 24 HG LEU 24 19.014 -4.790 13.315 178 HD11 LEU 24 1HD1 LEU 24 16.750 -5.079 12.294 179 HD12 LEU 24 2HD1 LEU 24 16.732 -6.747 12.907 180 HD13 LEU 24 3HD1 LEU 24 17.951 -6.246 11.717 181 HD21 LEU 24 1HD2 LEU 24 16.926 -5.642 15.360 182 HD22 LEU 24 2HD2 LEU 24 16.872 -4.112 14.453 183 HD23 LEU 24 3HD2 LEU 24 18.230 -4.427 15.553 184 H SER 25 H SER 25 19.039 -7.721 17.265 185 HA SER 25 HA SER 25 20.829 -10.082 17.016 186 HB2 SER 25 1HB SER 25 20.086 -10.529 19.390 187 HB3 SER 25 2HB SER 25 21.086 -9.076 19.197 188 HG SER 25 HG SER 25 19.224 -8.717 20.503 189 H PHE 26 H PHE 26 19.887 -11.958 16.649 190 HA PHE 26 HA PHE 26 17.008 -12.383 16.974 191 HB2 PHE 26 1HB PHE 26 16.674 -13.016 14.577 192 HB3 PHE 26 2HB PHE 26 16.862 -11.296 14.865 193 HD1 PHE 26 HD1 PHE 26 18.338 -10.053 13.608 194 HD2 PHE 26 HD2 PHE 26 18.886 -14.314 13.845 195 HE1 PHE 26 HE1 PHE 26 20.036 -9.930 11.834 196 HE2 PHE 26 HE2 PHE 26 20.627 -14.190 12.060 197 HZ PHE 26 HZ PHE 26 21.164 -12.008 10.995 198 H ARG 27 H ARG 27 16.400 -14.651 16.145 199 HA ARG 27 HA ARG 27 18.664 -16.437 16.891 200 HB2 ARG 27 1HB ARG 27 16.501 -16.285 18.245 201 HB3 ARG 27 2HB ARG 27 15.677 -17.006 16.860 202 HG2 ARG 27 1HG ARG 27 16.112 -18.726 18.457 203 HG3 ARG 27 2HG ARG 27 17.193 -18.989 17.084 204 HD2 ARG 27 1HD ARG 27 19.029 -17.859 18.348 205 HD3 ARG 27 2HD ARG 27 17.942 -17.671 19.731 206 HE ARG 27 HE ARG 27 17.832 -20.344 19.325 207 HH11 ARG 27 1HH1 ARG 27 20.665 -18.215 19.505 208 HH12 ARG 27 2HH1 ARG 27 21.681 -19.481 20.114 209 HH21 ARG 27 1HH2 ARG 27 19.213 -21.897 20.129 210 HH22 ARG 27 2HH2 ARG 27 20.877 -21.516 20.464 211 H LYS 28 H LYS 28 18.856 -18.474 15.712 212 HA LYS 28 HA LYS 28 18.728 -18.277 12.881 213 HB2 LYS 28 1HB LYS 28 20.144 -19.915 14.044 214 HB3 LYS 28 2HB LYS 28 18.721 -20.694 14.744 215 HG2 LYS 28 1HG LYS 28 17.994 -21.460 12.570 216 HG3 LYS 28 2HG LYS 28 19.303 -20.578 11.779 217 HD2 LYS 28 1HD LYS 28 20.967 -21.943 12.943 218 HD3 LYS 28 2HD LYS 28 19.676 -22.802 13.812 219 HE2 LYS 28 1HE LYS 28 18.797 -23.638 11.649 220 HE3 LYS 28 2HE LYS 28 20.119 -22.795 10.806 221 HZ1 LYS 28 1HZ LYS 28 20.697 -25.092 11.181 222 HZ2 LYS 28 2HZ LYS 28 20.464 -24.945 12.810 223 HZ3 LYS 28 3HZ LYS 28 21.693 -24.131 12.067 224 H GLY 29 H GLY 29 17.098 -18.503 11.471 225 HA2 GLY 29 1HA GLY 29 15.095 -19.506 10.705 226 HA3 GLY 29 2HA GLY 29 14.628 -19.888 12.363 227 H ASP 30 H ASP 30 15.587 -16.785 12.744 228 HA ASP 30 HA ASP 30 12.898 -15.759 12.822 229 HB2 ASP 30 1HB ASP 30 15.635 -14.748 13.341 230 HB3 ASP 30 2HB ASP 30 14.527 -13.530 12.729 231 H ILE 31 H ILE 31 12.110 -13.884 11.679 232 HA ILE 31 HA ILE 31 13.189 -13.664 8.897 233 HB ILE 31 HB ILE 31 10.271 -13.415 9.775 234 HG12 ILE 31 1HG1 ILE 31 10.914 -15.758 9.726 235 HG13 ILE 31 2HG1 ILE 31 9.890 -15.388 8.347 236 HG21 ILE 31 1HG2 ILE 31 11.649 -13.030 7.065 237 HG22 ILE 31 2HG2 ILE 31 9.889 -13.277 7.232 238 HG23 ILE 31 3HG2 ILE 31 10.657 -11.857 7.965 239 HD11 ILE 31 1HD1 ILE 31 12.820 -16.003 8.386 240 HD12 ILE 31 2HD1 ILE 31 11.515 -16.762 7.450 241 HD13 ILE 31 3HD1 ILE 31 12.096 -15.151 7.004 242 H MET 32 H MET 32 13.842 -11.669 8.386 243 HA MET 32 HA MET 32 12.623 -9.377 9.872 244 HB2 MET 32 1HB MET 32 14.815 -8.231 9.693 245 HB3 MET 32 2HB MET 32 14.853 -9.646 10.726 246 HG2 MET 32 1HG MET 32 15.614 -10.736 8.345 247 HG3 MET 32 2HG MET 32 16.292 -9.116 8.230 248 HE1 MET 32 1HE MET 32 16.245 -12.580 9.960 249 HE2 MET 32 2HE MET 32 17.248 -12.360 11.411 250 HE3 MET 32 3HE MET 32 15.621 -11.647 11.344 251 H THR 33 H THR 33 12.653 -7.408 8.725 252 HA THR 33 HA THR 33 12.176 -7.838 5.809 253 HB THR 33 HB THR 33 11.715 -5.403 7.603 254 HG1 THR 33 HG1 THR 33 10.300 -7.087 8.077 255 HG21 THR 33 1HG2 THR 33 12.025 -4.670 5.325 256 HG22 THR 33 2HG2 THR 33 10.284 -4.648 5.687 257 HG23 THR 33 3HG2 THR 33 10.967 -5.973 4.711 258 H VAL 34 H VAL 34 13.921 -7.575 4.501 259 HA VAL 34 HA VAL 34 16.228 -6.011 5.403 260 HB VAL 34 HB VAL 34 15.680 -7.226 2.685 261 HG11 VAL 34 1HG1 VAL 34 18.248 -6.219 3.977 262 HG12 VAL 34 2HG1 VAL 34 18.168 -7.135 2.451 263 HG13 VAL 34 3HG1 VAL 34 17.420 -5.530 2.558 264 HG21 VAL 34 1HG2 VAL 34 15.640 -8.985 4.316 265 HG22 VAL 34 2HG2 VAL 34 17.211 -9.035 3.502 266 HG23 VAL 34 3HG2 VAL 34 17.088 -8.337 5.125 267 H LEU 35 H LEU 35 16.501 -3.954 5.100 268 HA LEU 35 HA LEU 35 14.571 -2.492 3.393 269 HB2 LEU 35 1HB LEU 35 16.589 -1.596 5.466 270 HB3 LEU 35 2HB LEU 35 15.486 -0.526 4.615 271 HG LEU 35 HG LEU 35 14.607 -2.813 6.417 272 HD11 LEU 35 1HD1 LEU 35 14.000 -0.962 7.973 273 HD12 LEU 35 2HD1 LEU 35 14.923 0.145 6.931 274 HD13 LEU 35 3HD1 LEU 35 15.739 -1.213 7.745 275 HD21 LEU 35 1HD2 LEU 35 12.901 -2.247 4.772 276 HD22 LEU 35 2HD2 LEU 35 13.062 -0.515 5.154 277 HD23 LEU 35 3HD2 LEU 35 12.412 -1.647 6.364 278 H GLU 36 H GLU 36 18.128 -2.774 4.020 279 HA GLU 36 HA GLU 36 18.480 -2.568 1.117 280 HB2 GLU 36 1HB GLU 36 19.796 -0.677 0.991 281 HB3 GLU 36 2HB GLU 36 18.459 -0.198 2.013 282 HG2 GLU 36 1HG GLU 36 19.923 -0.569 3.944 283 HG3 GLU 36 2HG GLU 36 21.251 -0.757 2.799 284 H ARG 37 H ARG 37 20.985 -2.636 0.640 285 HA ARG 37 HA ARG 37 22.255 -4.477 2.627 286 HB2 ARG 37 1HB ARG 37 22.514 -4.568 -0.381 287 HB3 ARG 37 2HB ARG 37 23.262 -5.662 0.782 288 HG2 ARG 37 1HG ARG 37 20.971 -6.489 1.387 289 HG3 ARG 37 2HG ARG 37 20.324 -5.480 0.078 290 HD2 ARG 37 1HD ARG 37 22.315 -7.767 -0.201 291 HD3 ARG 37 2HD ARG 37 20.639 -7.758 -0.755 292 HE ARG 37 HE ARG 37 21.233 -6.301 -2.540 293 HH11 ARG 37 1HH1 ARG 37 24.092 -7.139 -0.636 294 HH12 ARG 37 2HH1 ARG 37 25.184 -6.443 -1.802 295 HH21 ARG 37 1HH2 ARG 37 22.719 -5.508 -4.013 296 HH22 ARG 37 2HH2 ARG 37 24.428 -5.596 -3.674 297 H ASP 38 H ASP 38 24.534 -4.225 2.696 298 HA ASP 38 HA ASP 38 26.464 -3.066 2.723 299 HB2 ASP 38 1HB ASP 38 25.720 -2.173 -0.075 300 HB3 ASP 38 2HB ASP 38 27.345 -2.302 0.617 301 H THR 39 H THR 39 24.269 -2.029 3.901 302 HA THR 39 HA THR 39 23.602 0.669 3.274 303 HB THR 39 HB THR 39 22.136 -0.745 4.620 304 HG1 THR 39 HG1 THR 39 21.815 1.355 5.129 305 HG21 THR 39 1HG2 THR 39 24.319 -0.758 6.671 306 HG22 THR 39 2HG2 THR 39 23.680 -2.136 5.738 307 HG23 THR 39 3HG2 THR 39 22.649 -1.309 6.905 308 H GLN 40 H GLN 40 24.240 2.602 4.150 309 HA GLN 40 HA GLN 40 25.730 4.152 4.866 310 HB2 GLN 40 1HB GLN 40 26.652 2.306 7.052 311 HB3 GLN 40 2HB GLN 40 26.494 4.059 7.069 312 HG2 GLN 40 1HG GLN 40 23.955 3.613 6.792 313 HG3 GLN 40 2HG GLN 40 24.331 1.953 7.249 314 HE21 GLN 40 1HE2 GLN 40 24.514 2.607 10.663 315 HE22 GLN 40 2HE2 GLN 40 24.586 1.450 9.355 316 H GLY 41 H GLY 41 26.719 1.782 3.085 317 HA2 GLY 41 1HA GLY 41 28.708 1.579 1.892 318 HA3 GLY 41 2HA GLY 41 29.498 2.709 3.010 319 H LEU 42 H LEU 42 27.760 0.257 4.649 320 HA LEU 42 HA LEU 42 30.302 -0.976 5.470 321 HB2 LEU 42 1HB LEU 42 27.450 -1.417 6.381 322 HB3 LEU 42 2HB LEU 42 28.892 -2.018 7.174 323 HG LEU 42 HG LEU 42 28.286 0.929 6.883 324 HD11 LEU 42 1HD1 LEU 42 27.633 -0.987 9.140 325 HD12 LEU 42 2HD1 LEU 42 26.474 -0.152 8.074 326 HD13 LEU 42 3HD1 LEU 42 27.471 0.788 9.202 327 HD21 LEU 42 1HD2 LEU 42 30.617 0.390 7.362 328 HD22 LEU 42 2HD2 LEU 42 30.112 -0.654 8.713 329 HD23 LEU 42 3HD2 LEU 42 29.835 1.099 8.790 330 H ASP 43 H ASP 43 30.882 -2.191 3.677 331 HA ASP 43 HA ASP 43 29.149 -3.744 2.083 332 HB2 ASP 43 1HB ASP 43 32.084 -4.004 2.768 333 HB3 ASP 43 2HB ASP 43 31.276 -5.202 1.746 334 H GLY 44 H GLY 44 28.070 -5.565 2.302 335 HA2 GLY 44 1HA GLY 44 27.705 -7.757 3.043 336 HA3 GLY 44 2HA GLY 44 29.026 -7.604 4.203 337 H TRP 45 H TRP 45 27.538 -4.900 5.076 338 HA TRP 45 HA TRP 45 25.840 -6.266 7.056 339 HB2 TRP 45 1HB TRP 45 26.853 -3.465 6.580 340 HB3 TRP 45 2HB TRP 45 25.638 -3.785 7.785 341 HD1 TRP 45 HD1 TRP 45 29.339 -3.823 7.306 342 HE1 TRP 45 HE1 TRP 45 30.564 -4.720 9.339 343 HE3 TRP 45 HE3 TRP 45 25.292 -5.805 9.666 344 HZ2 TRP 45 HZ2 TRP 45 29.845 -6.229 11.694 345 HZ3 TRP 45 HZ3 TRP 45 25.604 -6.963 11.842 346 HH2 TRP 45 HH2 TRP 45 27.847 -7.184 12.834 347 H TRP 46 H TRP 46 23.652 -6.369 6.855 348 HA TRP 46 HA TRP 46 22.429 -4.780 4.624 349 HB2 TRP 46 1HB TRP 46 21.615 -7.470 5.793 350 HB3 TRP 46 2HB TRP 46 20.705 -6.579 4.564 351 HD1 TRP 46 HD1 TRP 46 24.190 -6.095 3.580 352 HE1 TRP 46 HE1 TRP 46 25.028 -7.723 1.843 353 HE3 TRP 46 HE3 TRP 46 20.396 -9.528 3.964 354 HZ2 TRP 46 HZ2 TRP 46 24.179 -10.232 0.745 355 HZ3 TRP 46 HZ3 TRP 46 20.529 -11.586 2.580 356 HH2 TRP 46 HH2 TRP 46 22.364 -11.913 0.953 357 H LEU 47 H LEU 47 20.972 -3.297 5.197 358 HA LEU 47 HA LEU 47 20.313 -2.927 8.027 359 HB2 LEU 47 1HB LEU 47 20.617 -1.024 6.462 360 HB3 LEU 47 2HB LEU 47 19.272 -1.603 5.495 361 HG LEU 47 HG LEU 47 17.729 -1.106 7.297 362 HD11 LEU 47 1HD1 LEU 47 19.012 -1.486 9.272 363 HD12 LEU 47 2HD1 LEU 47 18.514 0.210 9.277 364 HD13 LEU 47 3HD1 LEU 47 20.179 -0.217 8.829 365 HD21 LEU 47 1HD2 LEU 47 17.902 1.339 7.222 366 HD22 LEU 47 2HD2 LEU 47 18.304 0.632 5.644 367 HD23 LEU 47 3HD2 LEU 47 19.603 1.211 6.712 368 H CYS 48 H CYS 48 18.670 -3.938 9.035 369 HA CYS 48 HA CYS 48 16.312 -4.675 7.372 370 HB2 CYS 48 1HB CYS 48 17.478 -6.522 9.480 371 HB3 CYS 48 2HB CYS 48 16.181 -6.858 8.340 372 HG CYS 48 HG CYS 48 19.371 -6.266 7.678 373 H SER 49 H SER 49 14.476 -5.358 8.772 374 HA SER 49 HA SER 49 14.471 -3.874 11.361 375 HB2 SER 49 1HB SER 49 12.808 -2.550 10.677 376 HB3 SER 49 2HB SER 49 13.109 -3.111 9.040 377 HG SER 49 HG SER 49 10.941 -3.422 9.593 378 H LEU 50 H LEU 50 13.821 -5.046 13.009 379 HA LEU 50 HA LEU 50 12.223 -7.531 12.552 380 HB2 LEU 50 1HB LEU 50 14.651 -8.133 12.529 381 HB3 LEU 50 2HB LEU 50 14.839 -7.344 14.095 382 HG LEU 50 HG LEU 50 12.777 -9.188 14.503 383 HD11 LEU 50 1HD1 LEU 50 13.594 -11.287 13.707 384 HD12 LEU 50 2HD1 LEU 50 15.000 -10.493 12.959 385 HD13 LEU 50 3HD1 LEU 50 13.362 -10.185 12.327 386 HD21 LEU 50 1HD2 LEU 50 15.754 -9.369 15.078 387 HD22 LEU 50 2HD2 LEU 50 14.500 -10.363 15.854 388 HD23 LEU 50 3HD2 LEU 50 14.520 -8.604 16.104 389 H HIS 51 H HIS 51 10.632 -7.589 14.050 390 HA HIS 51 HA HIS 51 9.296 -6.952 15.793 391 HB2 HIS 51 1HB HIS 51 11.973 -6.972 17.215 392 HB3 HIS 51 2HB HIS 51 10.422 -6.769 18.040 393 HD1 HIS 51 HD1 HIS 51 8.627 -8.834 17.634 394 HD2 HIS 51 HD2 HIS 51 12.657 -9.576 16.908 395 HE1 HIS 51 HE1 HIS 51 8.922 -11.344 17.626 396 H GLY 52 H GLY 52 10.246 -4.757 14.059 397 HA2 GLY 52 1HA GLY 52 9.702 -2.498 14.049 398 HA3 GLY 52 2HA GLY 52 9.315 -2.600 15.770 399 H ARG 53 H ARG 53 12.417 -3.875 15.204 400 HA ARG 53 HA ARG 53 13.664 -1.269 15.994 401 HB2 ARG 53 1HB ARG 53 13.712 -3.597 17.389 402 HB3 ARG 53 2HB ARG 53 15.047 -3.925 16.292 403 HG2 ARG 53 1HG ARG 53 14.882 -1.444 18.054 404 HG3 ARG 53 2HG ARG 53 15.650 -2.956 18.548 405 HD2 ARG 53 1HD ARG 53 16.988 -2.650 16.279 406 HD3 ARG 53 2HD ARG 53 16.562 -0.946 16.524 407 HE ARG 53 HE ARG 53 17.567 -2.003 18.960 408 HH11 ARG 53 1HH1 ARG 53 18.826 -1.136 15.747 409 HH12 ARG 53 2HH1 ARG 53 20.428 -0.855 16.392 410 HH21 ARG 53 1HH2 ARG 53 19.625 -1.613 19.646 411 HH22 ARG 53 2HH2 ARG 53 20.857 -1.085 18.522 412 H GLN 54 H GLN 54 15.246 -0.555 14.615 413 HA GLN 54 HA GLN 54 15.647 -2.163 12.130 414 HB2 GLN 54 1HB GLN 54 15.024 0.602 12.637 415 HB3 GLN 54 2HB GLN 54 16.617 0.495 11.867 416 HG2 GLN 54 1HG GLN 54 15.645 -0.853 10.078 417 HG3 GLN 54 2HG GLN 54 14.056 -0.729 10.855 418 HE21 GLN 54 1HE2 GLN 54 15.668 2.671 9.167 419 HE22 GLN 54 2HE2 GLN 54 16.724 1.485 9.893 420 H GLY 55 H GLY 55 17.759 -2.489 11.367 421 HA2 GLY 55 1HA GLY 55 20.027 -1.171 12.416 422 HA3 GLY 55 2HA GLY 55 19.774 -2.626 13.383 423 H ILE 56 H ILE 56 22.101 -2.418 12.113 424 HA ILE 56 HA ILE 56 21.955 -3.677 9.468 425 HB ILE 56 HB ILE 56 24.421 -3.651 9.504 426 HG12 ILE 56 1HG1 ILE 56 24.087 -2.692 12.397 427 HG13 ILE 56 2HG1 ILE 56 24.694 -4.272 11.909 428 HG21 ILE 56 1HG2 ILE 56 24.711 -1.272 9.510 429 HG22 ILE 56 2HG2 ILE 56 23.010 -1.533 9.086 430 HG23 ILE 56 3HG2 ILE 56 23.441 -1.017 10.734 431 HD11 ILE 56 1HD1 ILE 56 26.578 -3.037 10.716 432 HD12 ILE 56 2HD1 ILE 56 26.017 -1.570 11.552 433 HD13 ILE 56 3HD1 ILE 56 26.582 -2.967 12.492 434 H VAL 57 H VAL 57 22.841 -5.686 8.946 435 HA VAL 57 HA VAL 57 22.991 -7.708 11.138 436 HB VAL 57 HB VAL 57 21.333 -7.891 8.613 437 HG11 VAL 57 1HG1 VAL 57 20.548 -10.057 9.483 438 HG12 VAL 57 2HG1 VAL 57 22.241 -10.027 8.961 439 HG13 VAL 57 3HG1 VAL 57 21.842 -9.952 10.689 440 HG21 VAL 57 1HG2 VAL 57 20.528 -7.723 11.509 441 HG22 VAL 57 2HG2 VAL 57 20.172 -6.542 10.232 442 HG23 VAL 57 3HG2 VAL 57 19.398 -8.141 10.195 443 HA PRO 58 HA PRO 58 26.300 -8.871 8.347 444 HB2 PRO 58 1HB PRO 58 26.903 -11.371 9.292 445 HB3 PRO 58 2HB PRO 58 27.338 -9.880 10.189 446 HG2 PRO 58 1HG PRO 58 24.962 -11.695 10.590 447 HG3 PRO 58 2HG PRO 58 26.099 -11.052 11.810 448 HD2 PRO 58 1HD PRO 58 23.682 -9.917 11.324 449 HD3 PRO 58 2HD PRO 58 25.103 -8.939 11.775 450 H GLY 59 H GLY 59 25.532 -9.172 6.289 451 HA2 GLY 59 1HA GLY 59 23.356 -10.832 5.587 452 HA3 GLY 59 2HA GLY 59 24.600 -10.230 4.481 453 H ASN 60 H ASN 60 26.652 -11.617 6.215 454 HA ASN 60 HA ASN 60 26.950 -14.043 4.780 455 HB2 ASN 60 1HB ASN 60 28.568 -12.540 6.294 456 HB3 ASN 60 2HB ASN 60 28.109 -13.707 7.541 457 HD21 ASN 60 1HD2 ASN 60 31.151 -15.035 6.066 458 HD22 ASN 60 2HD2 ASN 60 30.628 -13.763 7.154 459 H ARG 61 H ARG 61 24.957 -13.300 7.543 460 HA ARG 61 HA ARG 61 24.551 -16.230 8.057 461 HB2 ARG 61 1HB ARG 61 24.046 -13.838 9.871 462 HB3 ARG 61 2HB ARG 61 23.714 -15.527 10.279 463 HG2 ARG 61 1HG ARG 61 26.135 -16.026 10.023 464 HG3 ARG 61 2HG ARG 61 26.437 -14.294 9.771 465 HD2 ARG 61 1HD ARG 61 25.464 -13.803 11.979 466 HD3 ARG 61 2HD ARG 61 25.143 -15.531 12.221 467 HE ARG 61 HE ARG 61 27.922 -15.112 11.606 468 HH11 ARG 61 1HH1 ARG 61 25.633 -14.791 14.298 469 HH12 ARG 61 2HH1 ARG 61 26.904 -14.924 15.485 470 HH21 ARG 61 1HH2 ARG 61 29.439 -15.295 13.153 471 HH22 ARG 61 2HH2 ARG 61 29.028 -15.203 14.850 472 H LEU 62 H LEU 62 23.254 -14.022 6.144 473 HA LEU 62 HA LEU 62 20.455 -14.645 6.974 474 HB2 LEU 62 1HB LEU 62 21.531 -12.211 7.131 475 HB3 LEU 62 2HB LEU 62 21.101 -12.182 5.423 476 HG LEU 62 HG LEU 62 18.776 -12.675 6.035 477 HD11 LEU 62 1HD1 LEU 62 17.982 -12.367 8.262 478 HD12 LEU 62 2HD1 LEU 62 19.657 -12.268 8.855 479 HD13 LEU 62 3HD1 LEU 62 19.041 -13.762 8.121 480 HD21 LEU 62 1HD2 LEU 62 19.456 -10.420 5.600 481 HD22 LEU 62 2HD2 LEU 62 20.038 -10.231 7.267 482 HD23 LEU 62 3HD2 LEU 62 18.301 -10.410 6.945 483 H LYS 63 H LYS 63 18.963 -15.151 5.486 484 HA LYS 63 HA LYS 63 19.951 -15.361 2.670 485 HB2 LYS 63 1HB LYS 63 19.850 -17.579 3.647 486 HB3 LYS 63 2HB LYS 63 18.197 -17.304 4.196 487 HG2 LYS 63 1HG LYS 63 17.373 -17.303 1.926 488 HG3 LYS 63 2HG LYS 63 19.020 -17.254 1.272 489 HD2 LYS 63 1HD LYS 63 18.196 -19.483 1.024 490 HD3 LYS 63 2HD LYS 63 19.445 -19.490 2.283 491 HE2 LYS 63 1HE LYS 63 17.620 -19.412 4.012 492 HE3 LYS 63 2HE LYS 63 16.429 -19.553 2.697 493 HZ1 LYS 63 1HZ LYS 63 17.491 -21.654 2.077 494 HZ2 LYS 63 2HZ LYS 63 16.974 -21.718 3.644 495 HZ3 LYS 63 3HZ LYS 63 18.576 -21.514 3.309 496 H ILE 64 H ILE 64 18.924 -14.208 1.324 497 HA ILE 64 HA ILE 64 16.454 -12.887 1.898 498 HB ILE 64 HB ILE 64 17.894 -13.376 -0.759 499 HG12 ILE 64 1HG1 ILE 64 19.403 -12.302 0.803 500 HG13 ILE 64 2HG1 ILE 64 18.890 -11.139 -0.404 501 HG21 ILE 64 1HG2 ILE 64 16.763 -11.138 -1.319 502 HG22 ILE 64 2HG2 ILE 64 15.748 -12.598 -1.323 503 HG23 ILE 64 3HG2 ILE 64 15.705 -11.480 0.062 504 HD11 ILE 64 1HD1 ILE 64 18.114 -11.268 2.540 505 HD12 ILE 64 2HD1 ILE 64 18.838 -9.924 1.634 506 HD13 ILE 64 3HD1 ILE 64 17.136 -10.336 1.378 507 H LEU 65 H LEU 65 14.408 -13.556 1.675 508 HA LEU 65 HA LEU 65 13.911 -16.154 0.290 509 HB2 LEU 65 1HB LEU 65 12.143 -14.620 2.208 510 HB3 LEU 65 2HB LEU 65 11.875 -16.252 1.615 511 HG LEU 65 HG LEU 65 14.034 -15.371 3.549 512 HD11 LEU 65 1HD1 LEU 65 11.456 -16.964 3.823 513 HD12 LEU 65 2HD1 LEU 65 11.808 -15.354 4.499 514 HD13 LEU 65 3HD1 LEU 65 12.665 -16.771 5.100 515 HD21 LEU 65 1HD2 LEU 65 14.907 -17.185 2.201 516 HD22 LEU 65 2HD2 LEU 65 13.400 -18.117 2.406 517 HD23 LEU 65 3HD2 LEU 65 14.464 -17.816 3.803 518 H VAL 66 H VAL 66 13.895 -13.061 -0.288 519 HA VAL 66 HA VAL 66 12.888 -11.560 -1.666 520 HB VAL 66 HB VAL 66 11.342 -13.885 -2.924 521 HG11 VAL 66 1HG1 VAL 66 12.073 -11.111 -3.975 522 HG12 VAL 66 2HG1 VAL 66 11.273 -12.396 -4.912 523 HG13 VAL 66 3HG1 VAL 66 10.443 -11.667 -3.526 524 HG21 VAL 66 1HG2 VAL 66 13.740 -14.376 -3.015 525 HG22 VAL 66 2HG2 VAL 66 13.166 -13.899 -4.622 526 HG23 VAL 66 3HG2 VAL 66 14.081 -12.741 -3.630 527 H GLY 67 H GLY 67 9.976 -13.631 -1.605 528 HA2 GLY 67 1HA GLY 67 8.407 -13.064 0.407 529 HA3 GLY 67 2HA GLY 67 8.566 -11.398 -0.225 530 H MET 68 H MET 68 6.030 -12.348 -0.343 531 HA MET 68 HA MET 68 4.281 -12.952 -1.709 532 HB2 MET 68 1HB MET 68 5.442 -10.915 -2.844 533 HB3 MET 68 2HB MET 68 5.960 -12.076 -4.065 534 HG2 MET 68 1HG MET 68 3.611 -12.625 -4.551 535 HG3 MET 68 2HG MET 68 3.080 -11.535 -3.256 536 HE1 MET 68 1HE MET 68 4.821 -10.259 -7.364 537 HE2 MET 68 2HE MET 68 5.792 -11.243 -6.245 538 HE3 MET 68 3HE MET 68 4.282 -11.895 -6.924 539 H TYR 69 H TYR 69 5.831 -15.085 -0.996 540 HA TYR 69 HA TYR 69 6.072 -16.746 -3.466 541 HB2 TYR 69 1HB TYR 69 7.940 -16.158 -1.274 542 HB3 TYR 69 2HB TYR 69 7.722 -17.888 -1.518 543 HD1 TYR 69 HD1 TYR 69 7.850 -15.083 -4.055 544 HD2 TYR 69 HD2 TYR 69 9.645 -18.690 -2.545 545 HE1 TYR 69 HE1 TYR 69 9.487 -15.050 -5.920 546 HE2 TYR 69 HE2 TYR 69 11.288 -18.645 -4.427 547 HH TYR 69 HH TYR 69 11.281 -16.071 -6.894 548 H ASP 70 H ASP 70 3.952 -17.567 -3.282 549 HA ASP 70 HA ASP 70 3.135 -19.030 -0.876 550 HB2 ASP 70 1HB ASP 70 1.993 -18.889 -3.691 551 HB3 ASP 70 2HB ASP 70 1.209 -19.703 -2.323 552 H LYS 71 H LYS 71 5.652 -19.867 -1.888 553 HA LYS 71 HA LYS 71 5.428 -22.081 -3.692 554 HB2 LYS 71 1HB LYS 71 7.471 -20.572 -2.876 555 HB3 LYS 71 2HB LYS 71 7.713 -21.929 -1.760 556 HG2 LYS 71 1HG LYS 71 7.747 -23.476 -3.712 557 HG3 LYS 71 2HG LYS 71 7.551 -22.081 -4.791 558 HD2 LYS 71 1HD LYS 71 9.674 -21.129 -3.793 559 HD3 LYS 71 2HD LYS 71 9.902 -22.686 -2.970 560 HE2 LYS 71 1HE LYS 71 9.699 -22.217 -5.978 561 HE3 LYS 71 2HE LYS 71 11.174 -22.618 -5.078 562 HZ1 LYS 71 1HZ LYS 71 10.180 -24.761 -4.528 563 HZ2 LYS 71 2HZ LYS 71 10.211 -24.562 -6.165 564 HZ3 LYS 71 3HZ LYS 71 8.796 -24.378 -5.339 565 H LYS 72 H LYS 72 4.897 -21.830 -0.291 566 HA LYS 72 HA LYS 72 3.969 -24.610 -0.239 567 HB2 LYS 72 1HB LYS 72 6.238 -23.633 1.540 568 HB3 LYS 72 2HB LYS 72 5.089 -24.846 2.099 569 HG2 LYS 72 1HG LYS 72 5.694 -26.224 0.058 570 HG3 LYS 72 2HG LYS 72 7.053 -25.107 -0.184 571 HD2 LYS 72 1HD LYS 72 7.872 -25.619 2.082 572 HD3 LYS 72 2HD LYS 72 6.477 -26.686 2.346 573 HE2 LYS 72 1HE LYS 72 7.236 -28.087 0.417 574 HE3 LYS 72 2HE LYS 72 8.701 -27.084 0.316 575 HZ1 LYS 72 1HZ LYS 72 9.209 -27.728 2.606 576 HZ2 LYS 72 2HZ LYS 72 9.070 -29.071 1.657 577 HZ3 LYS 72 3HZ LYS 72 7.850 -28.655 2.689 578 HA PRO 73 HA PRO 73 1.171 -22.115 2.070 579 HB2 PRO 73 1HB PRO 73 -0.460 -23.924 3.248 580 HB3 PRO 73 2HB PRO 73 -0.373 -23.769 1.464 581 HG2 PRO 73 1HG PRO 73 1.055 -25.720 3.261 582 HG3 PRO 73 2HG PRO 73 0.065 -26.052 1.801 583 HD2 PRO 73 1HD PRO 73 2.784 -25.874 1.710 584 HD3 PRO 73 2HD PRO 73 1.750 -25.316 0.352 585 H ALA 74 H ALA 74 3.468 -24.020 3.731 586 HA ALA 74 HA ALA 74 2.808 -22.628 6.266 587 HB1 ALA 74 1HB ALA 74 1.812 -24.866 6.449 588 HB2 ALA 74 2HB ALA 74 3.370 -25.622 6.038 589 HB3 ALA 74 3HB ALA 74 3.194 -24.708 7.556 590 H GLY 75 H GLY 75 5.284 -24.777 4.722 591 HA2 GLY 75 1HA GLY 75 7.459 -23.278 4.602 592 HA3 GLY 75 2HA GLY 75 7.304 -23.368 6.360 593 H SER 76 H SER 76 9.234 -24.417 6.666 594 HA SER 76 HA SER 76 9.576 -27.090 5.406 595 HB2 SER 76 1HB SER 76 11.894 -26.863 6.309 596 HB3 SER 76 2HB SER 76 11.439 -25.538 5.215 597 HG SER 76 HG SER 76 11.602 -25.511 8.046 598 H GLY 77 H GLY 77 8.202 -25.872 8.203 599 HA2 GLY 77 1HA GLY 77 7.428 -27.489 9.881 600 HA3 GLY 77 2HA GLY 77 9.003 -28.296 9.762 601 H GLY 78 H GLY 78 8.807 -27.865 12.224 602 HA2 GLY 78 1HA GLY 78 10.565 -25.748 12.953 603 HA3 GLY 78 2HA GLY 78 8.887 -25.255 13.282 604 H SER 79 H SER 79 9.458 -25.304 15.566 605 HA SER 79 HA SER 79 9.456 -26.220 17.642 606 HB2 SER 79 1HB SER 79 8.073 -28.574 16.318 607 HB3 SER 79 2HB SER 79 7.997 -28.110 18.031 608 HG SER 79 HG SER 79 6.191 -27.338 16.879 609 H GLY 80 H GLY 80 11.881 -26.783 16.122 610 HA2 GLY 80 1HA GLY 80 12.700 -29.249 17.595 611 HA3 GLY 80 2HA GLY 80 13.339 -28.831 15.996 612 H SER 81 H SER 81 14.381 -29.021 18.969 613 HA SER 81 HA SER 81 16.333 -26.864 18.658 614 HB2 SER 81 1HB SER 81 15.909 -25.927 20.915 615 HB3 SER 81 2HB SER 81 14.508 -25.681 19.848 616 HG SER 81 HG SER 81 13.828 -26.459 21.855 617 H GLY 82 H GLY 82 18.069 -27.199 20.365 618 HA2 GLY 82 1HA GLY 82 18.301 -29.180 22.223 619 HA3 GLY 82 2HA GLY 82 18.513 -30.056 20.682 620 H LEU 83 H LEU 83 20.767 -30.314 21.735 621 HA LEU 83 HA LEU 83 22.501 -27.948 21.478 622 HB2 LEU 83 1HB LEU 83 22.644 -30.239 22.969 623 HB3 LEU 83 2HB LEU 83 23.635 -30.707 21.590 624 HG LEU 83 HG LEU 83 24.103 -28.279 23.360 625 HD11 LEU 83 1HD1 LEU 83 25.978 -29.587 24.274 626 HD12 LEU 83 2HD1 LEU 83 25.539 -30.962 23.237 627 HD13 LEU 83 3HD1 LEU 83 24.436 -30.429 24.531 628 HD21 LEU 83 1HD2 LEU 83 26.374 -28.264 22.281 629 HD22 LEU 83 2HD2 LEU 83 25.062 -27.854 21.169 630 HD23 LEU 83 3HD2 LEU 83 25.793 -29.475 21.117 631 H THR 84 H THR 84 23.461 -27.398 19.555 632 HA THR 84 HA THR 84 23.645 -29.470 17.424 633 HB THR 84 HB THR 84 23.042 -27.681 15.749 634 HG1 THR 84 HG1 THR 84 23.483 -25.946 17.308 635 HG21 THR 84 1HG2 THR 84 20.843 -28.101 17.814 636 HG22 THR 84 2HG2 THR 84 21.316 -29.306 16.591 637 HG23 THR 84 3HG2 THR 84 20.640 -27.740 16.085 638 H ASP 85 H ASP 85 25.704 -29.616 16.767 639 HA ASP 85 HA ASP 85 27.600 -27.479 17.471 640 HB2 ASP 85 1HB ASP 85 27.897 -30.199 16.191 641 HB3 ASP 85 2HB ASP 85 29.244 -29.068 16.362 642 H GLU 86 H GLU 86 26.900 -25.828 16.185 643 HA GLU 86 HA GLU 86 27.483 -26.103 13.282 644 HB2 GLU 86 1HB GLU 86 25.016 -26.273 13.674 645 HB3 GLU 86 2HB GLU 86 25.060 -24.693 14.464 646 HG2 GLU 86 1HG GLU 86 25.900 -23.690 12.352 647 HG3 GLU 86 2HG GLU 86 25.777 -25.278 11.573 648 H LEU 87 H LEU 87 29.129 -24.755 12.940 649 HA LEU 87 HA LEU 87 29.444 -22.379 14.659 650 HB2 LEU 87 1HB LEU 87 31.207 -23.520 12.466 651 HB3 LEU 87 2HB LEU 87 31.607 -22.129 13.472 652 HG LEU 87 HG LEU 87 31.205 -24.968 14.491 653 HD11 LEU 87 1HD1 LEU 87 33.747 -23.340 14.090 654 HD12 LEU 87 2HD1 LEU 87 33.218 -24.715 13.090 655 HD13 LEU 87 3HD1 LEU 87 33.640 -24.970 14.795 656 HD21 LEU 87 1HD2 LEU 87 32.151 -22.438 15.911 657 HD22 LEU 87 2HD2 LEU 87 32.234 -24.082 16.591 658 HD23 LEU 87 3HD2 LEU 87 30.658 -23.352 16.239 659 H ALA 88 H ALA 88 28.738 -20.459 14.108 660 HA ALA 88 HA ALA 88 27.593 -20.005 11.475 661 HB1 ALA 88 1HB ALA 88 28.012 -18.087 13.808 662 HB2 ALA 88 2HB ALA 88 26.937 -17.841 12.410 663 HB3 ALA 88 3HB ALA 88 26.585 -19.128 13.583 664 HA PRO 89 HA PRO 89 31.264 -18.235 9.782 665 HB2 PRO 89 1HB PRO 89 30.308 -16.628 7.802 666 HB3 PRO 89 2HB PRO 89 30.189 -18.408 7.718 667 HG2 PRO 89 1HG PRO 89 28.140 -16.416 8.632 668 HG3 PRO 89 2HG PRO 89 27.977 -17.728 7.421 669 HD2 PRO 89 1HD PRO 89 27.174 -18.055 9.976 670 HD3 PRO 89 2HD PRO 89 27.945 -19.396 9.061 671 HA PRO 90 HA PRO 90 31.945 -14.476 11.848 672 HB2 PRO 90 1HB PRO 90 33.899 -13.188 10.452 673 HB3 PRO 90 2HB PRO 90 34.192 -14.748 11.290 674 HG2 PRO 90 1HG PRO 90 33.509 -14.262 8.400 675 HG3 PRO 90 2HG PRO 90 34.868 -15.207 9.093 676 HD2 PRO 90 1HD PRO 90 32.596 -16.410 8.289 677 HD3 PRO 90 2HD PRO 90 33.449 -16.961 9.770 678 H LYS 91 H LYS 91 31.759 -12.177 11.935 679 HA LYS 91 HA LYS 91 29.774 -11.081 10.070 680 HB2 LYS 91 1HB LYS 91 31.260 -9.848 12.431 681 HB3 LYS 91 2HB LYS 91 29.913 -9.100 11.574 682 HG2 LYS 91 1HG LYS 91 28.415 -10.900 12.353 683 HG3 LYS 91 2HG LYS 91 29.771 -11.656 13.218 684 HD2 LYS 91 1HD LYS 91 30.060 -9.623 14.578 685 HD3 LYS 91 2HD LYS 91 28.741 -8.837 13.695 686 HE2 LYS 91 1HE LYS 91 27.183 -10.597 14.499 687 HE3 LYS 91 2HE LYS 91 28.509 -11.289 15.467 688 HZ1 LYS 91 1HZ LYS 91 27.131 -9.763 16.753 689 HZ2 LYS 91 2HZ LYS 91 27.454 -8.528 15.712 690 HZ3 LYS 91 3HZ LYS 91 28.676 -9.184 16.630 691 HA PRO 92 HA PRO 92 33.031 -8.872 7.866 692 HB2 PRO 92 1HB PRO 92 31.614 -6.730 6.870 693 HB3 PRO 92 2HB PRO 92 31.529 -8.372 6.159 694 HG2 PRO 92 1HG PRO 92 29.645 -7.013 7.999 695 HG3 PRO 92 2HG PRO 92 29.308 -8.012 6.575 696 HD2 PRO 92 1HD PRO 92 29.141 -8.895 9.161 697 HD3 PRO 92 2HD PRO 92 29.522 -9.965 7.770 698 HA PRO 93 HA PRO 93 34.161 -6.046 11.011 699 HB2 PRO 93 1HB PRO 93 35.899 -4.302 9.863 700 HB3 PRO 93 2HB PRO 93 36.266 -6.052 9.988 701 HG2 PRO 93 1HG PRO 93 35.109 -4.528 7.674 702 HG3 PRO 93 2HG PRO 93 36.525 -5.629 7.702 703 HD2 PRO 93 1HD PRO 93 34.070 -6.466 6.938 704 HD3 PRO 93 2HD PRO 93 35.175 -7.543 7.861 705 H LEU 94 H LEU 94 34.324 -3.703 11.706 706 HA LEU 94 HA LEU 94 32.402 -1.947 10.293 707 HB2 LEU 94 1HB LEU 94 32.384 -2.825 13.189 708 HB3 LEU 94 2HB LEU 94 31.734 -1.258 12.730 709 HG LEU 94 HG LEU 94 30.720 -3.941 11.745 710 HD11 LEU 94 1HD1 LEU 94 28.784 -3.425 13.077 711 HD12 LEU 94 2HD1 LEU 94 29.480 -1.850 13.537 712 HD13 LEU 94 3HD1 LEU 94 30.240 -3.369 14.101 713 HD21 LEU 94 1HD2 LEU 94 29.732 -1.112 11.211 714 HD22 LEU 94 2HD2 LEU 94 28.834 -2.595 10.827 715 HD23 LEU 94 3HD2 LEU 94 30.368 -2.275 10.019 716 HA PRO 95 HA PRO 95 35.442 1.184 11.291 717 HB2 PRO 95 1HB PRO 95 33.957 3.440 11.079 718 HB3 PRO 95 2HB PRO 95 34.257 2.396 9.653 719 HG2 PRO 95 1HG PRO 95 31.864 2.485 11.469 720 HG3 PRO 95 2HG PRO 95 31.923 2.540 9.678 721 HD2 PRO 95 1HD PRO 95 31.458 0.236 11.094 722 HD3 PRO 95 2HD PRO 95 32.295 0.235 9.512 723 H GLU 96 H GLU 96 35.656 3.195 12.776 724 HA GLU 96 HA GLU 96 34.981 2.367 15.487 725 HB2 GLU 96 1HB GLU 96 36.477 4.770 14.389 726 HB3 GLU 96 2HB GLU 96 36.366 4.342 16.105 727 HG2 GLU 96 1HG GLU 96 37.465 2.172 15.613 728 HG3 GLU 96 2HG GLU 96 37.663 2.677 13.925 729 H GLY 97 H GLY 97 32.642 3.104 13.941 730 HA2 GLY 97 1HA GLY 97 30.686 4.059 15.011 731 HA3 GLY 97 2HA GLY 97 31.694 5.368 15.645 732 H GLU 98 H GLU 98 29.671 6.449 14.587 733 HA GLU 98 HA GLU 98 30.297 7.014 11.727 734 HB2 GLU 98 1HB GLU 98 27.773 6.416 13.130 735 HB3 GLU 98 2HB GLU 98 27.707 7.882 12.147 736 HG2 GLU 98 1HG GLU 98 28.490 5.111 11.196 737 HG3 GLU 98 2HG GLU 98 26.978 5.968 10.839 738 H VAL 99 H VAL 99 30.105 9.078 10.965 739 HA VAL 99 HA VAL 99 30.798 11.134 12.951 740 HB VAL 99 HB VAL 99 32.008 10.817 10.765 741 HG11 VAL 99 1HG1 VAL 99 29.503 12.056 9.476 742 HG12 VAL 99 2HG1 VAL 99 31.038 11.705 8.661 743 HG13 VAL 99 3HG1 VAL 99 30.044 10.379 9.269 744 HG21 VAL 99 1HG2 VAL 99 30.817 13.623 11.144 745 HG22 VAL 99 2HG2 VAL 99 32.197 12.957 12.036 746 HG23 VAL 99 3HG2 VAL 99 32.322 13.226 10.293 747 HXT VAL 99 H02 VAL 99 28.244 10.273 11.265 Start of MODEL 23 1 H2 GLY 1 2H0 GLY 1 9.748 -1.760 -4.878 2 H GLY 1 1H0 GLY 1 11.354 -1.426 -4.918 3 HA2 GLY 1 1HA GLY 1 11.059 0.738 -5.823 4 HA3 GLY 1 2HA GLY 1 9.971 -0.328 -6.751 5 H SER 2 H SER 2 9.044 0.032 -3.607 6 HA SER 2 HA SER 2 7.425 2.488 -3.944 7 HB2 SER 2 1HB SER 2 6.008 0.674 -4.922 8 HB3 SER 2 2HB SER 2 6.132 -0.216 -3.389 9 HG SER 2 HG SER 2 4.218 1.096 -3.597 10 H MET 3 H MET 3 6.582 3.188 -1.898 11 HA MET 3 HA MET 3 6.794 3.677 0.315 12 HB2 MET 3 1HB MET 3 7.206 0.696 0.698 13 HB3 MET 3 2HB MET 3 6.714 1.860 1.930 14 HG2 MET 3 1HG MET 3 4.633 2.307 0.682 15 HG3 MET 3 2HG MET 3 5.120 1.123 -0.546 16 HE1 MET 3 1HE MET 3 2.311 0.871 0.841 17 HE2 MET 3 2HE MET 3 2.942 -0.335 -0.307 18 HE3 MET 3 3HE MET 3 2.274 -0.859 1.256 19 H LYS 4 H LYS 4 9.319 3.229 -1.404 20 HA LYS 4 HA LYS 4 11.572 3.598 -1.215 21 HB2 LYS 4 1HB LYS 4 10.560 4.879 1.085 22 HB3 LYS 4 2HB LYS 4 11.882 3.862 1.668 23 HG2 LYS 4 1HG LYS 4 13.375 4.915 -0.038 24 HG3 LYS 4 2HG LYS 4 12.028 5.977 -0.502 25 HD2 LYS 4 1HD LYS 4 11.911 6.782 1.874 26 HD3 LYS 4 2HD LYS 4 13.333 5.786 2.244 27 HE2 LYS 4 1HE LYS 4 14.106 8.029 1.878 28 HE3 LYS 4 2HE LYS 4 14.600 7.063 0.473 29 HZ1 LYS 4 1HZ LYS 4 12.692 7.965 -0.729 30 HZ2 LYS 4 2HZ LYS 4 13.658 9.190 -0.192 31 HZ3 LYS 4 3HZ LYS 4 12.238 8.859 0.580 32 H TYR 5 H TYR 5 13.583 2.615 -0.191 33 HA TYR 5 HA TYR 5 14.811 0.774 0.207 34 HB2 TYR 5 1HB TYR 5 12.583 0.411 2.217 35 HB3 TYR 5 2HB TYR 5 13.969 -0.646 2.129 36 HD1 TYR 5 HD1 TYR 5 12.757 2.049 3.899 37 HD2 TYR 5 HD2 TYR 5 16.337 0.807 1.849 38 HE1 TYR 5 HE1 TYR 5 14.126 3.595 5.314 39 HE2 TYR 5 HE2 TYR 5 17.680 2.352 3.256 40 HH TYR 5 HH TYR 5 17.687 3.815 4.974 41 H LEU 6 H LEU 6 14.733 -1.752 0.581 42 HA LEU 6 HA LEU 6 13.648 -2.767 -1.936 43 HB2 LEU 6 1HB LEU 6 15.101 -4.191 0.318 44 HB3 LEU 6 2HB LEU 6 14.787 -4.838 -1.281 45 HG LEU 6 HG LEU 6 16.628 -2.517 -0.722 46 HD11 LEU 6 1HD1 LEU 6 17.462 -4.623 0.266 47 HD12 LEU 6 2HD1 LEU 6 18.445 -4.152 -1.134 48 HD13 LEU 6 3HD1 LEU 6 17.238 -5.452 -1.292 49 HD21 LEU 6 1HD2 LEU 6 16.156 -4.153 -3.239 50 HD22 LEU 6 2HD2 LEU 6 17.425 -2.921 -3.023 51 HD23 LEU 6 3HD2 LEU 6 15.716 -2.447 -2.991 52 H ASN 7 H ASN 7 13.018 -3.244 1.523 53 HA ASN 7 HA ASN 7 11.460 -4.418 2.690 54 HB2 ASN 7 1HB ASN 7 9.812 -3.398 0.378 55 HB3 ASN 7 2HB ASN 7 9.097 -4.264 1.745 56 HD21 ASN 7 1HD2 ASN 7 9.701 -0.406 2.102 57 HD22 ASN 7 2HD2 ASN 7 9.602 -1.283 0.599 58 H VAL 8 H VAL 8 13.017 -6.246 1.636 59 HA VAL 8 HA VAL 8 11.172 -8.348 0.558 60 HB VAL 8 HB VAL 8 12.872 -9.183 -0.728 61 HG11 VAL 8 1HG1 VAL 8 14.359 -6.630 -0.021 62 HG12 VAL 8 2HG1 VAL 8 14.502 -7.589 -1.513 63 HG13 VAL 8 3HG1 VAL 8 12.994 -6.717 -1.176 64 HG21 VAL 8 1HG2 VAL 8 14.716 -8.658 1.601 65 HG22 VAL 8 2HG2 VAL 8 14.164 -10.210 0.951 66 HG23 VAL 8 3HG2 VAL 8 15.309 -9.220 0.032 67 H LEU 9 H LEU 9 11.619 -10.563 1.608 68 HA LEU 9 HA LEU 9 12.139 -10.106 4.517 69 HB2 LEU 9 1HB LEU 9 10.801 -12.412 3.068 70 HB3 LEU 9 2HB LEU 9 11.017 -12.287 4.807 71 HG LEU 9 HG LEU 9 9.314 -10.437 3.100 72 HD11 LEU 9 1HD1 LEU 9 8.540 -12.619 5.079 73 HD12 LEU 9 2HD1 LEU 9 8.400 -12.718 3.306 74 HD13 LEU 9 3HD1 LEU 9 7.421 -11.544 4.211 75 HD21 LEU 9 1HD2 LEU 9 8.458 -9.610 5.297 76 HD22 LEU 9 2HD2 LEU 9 10.163 -9.218 5.032 77 HD23 LEU 9 3HD2 LEU 9 9.721 -10.555 6.116 78 H ALA 10 H ALA 10 13.649 -11.433 5.629 79 HA ALA 10 HA ALA 10 15.182 -13.353 3.923 80 HB1 ALA 10 1HB ALA 10 16.437 -11.201 5.673 81 HB2 ALA 10 2HB ALA 10 17.305 -12.489 4.795 82 HB3 ALA 10 3HB ALA 10 16.430 -11.241 3.893 83 H LYS 11 H LYS 11 15.913 -15.165 5.021 84 HA LYS 11 HA LYS 11 14.915 -15.413 7.819 85 HB2 LYS 11 1HB LYS 11 14.100 -17.121 6.355 86 HB3 LYS 11 2HB LYS 11 15.712 -17.482 5.739 87 HG2 LYS 11 1HG LYS 11 16.372 -18.546 7.732 88 HG3 LYS 11 2HG LYS 11 15.086 -17.793 8.683 89 HD2 LYS 11 1HD LYS 11 14.511 -19.800 6.491 90 HD3 LYS 11 2HD LYS 11 14.846 -20.268 8.174 91 HE2 LYS 11 1HE LYS 11 13.005 -18.375 8.647 92 HE3 LYS 11 2HE LYS 11 12.475 -18.850 7.023 93 HZ1 LYS 11 1HZ LYS 11 12.801 -20.700 9.323 94 HZ2 LYS 11 2HZ LYS 11 12.208 -21.109 7.836 95 HZ3 LYS 11 3HZ LYS 11 11.365 -20.082 8.810 96 H ALA 12 H ALA 12 16.258 -15.760 9.493 97 HA ALA 12 HA ALA 12 19.140 -15.464 9.142 98 HB1 ALA 12 1HB ALA 12 19.145 -15.845 11.609 99 HB2 ALA 12 2HB ALA 12 18.009 -14.573 11.117 100 HB3 ALA 12 3HB ALA 12 17.406 -16.185 11.538 101 H LEU 13 H LEU 13 20.627 -17.060 8.844 102 HA LEU 13 HA LEU 13 19.705 -19.893 9.006 103 HB2 LEU 13 1HB LEU 13 22.370 -18.669 8.247 104 HB3 LEU 13 2HB LEU 13 21.992 -20.374 8.202 105 HG LEU 13 HG LEU 13 21.904 -19.906 6.054 106 HD11 LEU 13 1HD1 LEU 13 19.676 -19.782 5.170 107 HD12 LEU 13 2HD1 LEU 13 19.066 -19.037 6.665 108 HD13 LEU 13 3HD1 LEU 13 19.633 -20.730 6.671 109 HD21 LEU 13 1HD2 LEU 13 22.422 -17.524 6.374 110 HD22 LEU 13 2HD2 LEU 13 20.672 -17.211 6.489 111 HD23 LEU 13 3HD2 LEU 13 21.379 -17.862 4.993 112 H TYR 14 H TYR 14 21.241 -17.500 10.875 113 HA TYR 14 HA TYR 14 22.050 -19.540 12.867 114 HB2 TYR 14 1HB TYR 14 23.838 -17.303 11.851 115 HB3 TYR 14 2HB TYR 14 24.200 -18.409 13.182 116 HD1 TYR 14 HD1 TYR 14 24.235 -17.955 9.571 117 HD2 TYR 14 HD2 TYR 14 24.430 -20.907 12.698 118 HE1 TYR 14 HE1 TYR 14 25.085 -19.639 7.939 119 HE2 TYR 14 HE2 TYR 14 25.297 -22.558 11.073 120 HH TYR 14 HH TYR 14 25.555 -23.040 8.828 121 H ASP 15 H ASP 15 22.454 -18.624 14.967 122 HA ASP 15 HA ASP 15 20.677 -16.485 15.742 123 HB2 ASP 15 1HB ASP 15 23.030 -17.846 17.144 124 HB3 ASP 15 2HB ASP 15 21.982 -16.643 17.912 125 H ASN 16 H ASN 16 21.288 -14.359 16.382 126 HA ASN 16 HA ASN 16 24.113 -13.608 15.840 127 HB2 ASN 16 1HB ASN 16 22.549 -13.002 13.878 128 HB3 ASN 16 2HB ASN 16 21.839 -11.815 14.979 129 HD21 ASN 16 1HD2 ASN 16 24.382 -9.501 14.429 130 HD22 ASN 16 2HD2 ASN 16 22.722 -9.838 14.897 131 H VAL 17 H VAL 17 24.921 -12.369 17.382 132 HA VAL 17 HA VAL 17 23.036 -11.173 19.355 133 HB VAL 17 HB VAL 17 25.959 -12.025 19.699 134 HG11 VAL 17 1HG1 VAL 17 25.612 -11.422 22.092 135 HG12 VAL 17 2HG1 VAL 17 25.441 -10.014 21.027 136 HG13 VAL 17 3HG1 VAL 17 23.991 -10.805 21.695 137 HG21 VAL 17 1HG2 VAL 17 25.043 -13.693 21.308 138 HG22 VAL 17 2HG2 VAL 17 23.391 -13.201 20.866 139 HG23 VAL 17 3HG2 VAL 17 24.446 -13.971 19.660 140 H ALA 18 H ALA 18 22.989 -9.050 19.267 141 HA ALA 18 HA ALA 18 24.553 -7.635 17.302 142 HB1 ALA 18 1HB ALA 18 23.315 -5.694 18.152 143 HB2 ALA 18 2HB ALA 18 22.231 -7.082 17.850 144 HB3 ALA 18 3HB ALA 18 22.714 -6.672 19.510 145 H GLU 19 H GLU 19 26.579 -7.078 17.586 146 HA GLU 19 HA GLU 19 27.633 -6.704 20.369 147 HB2 GLU 19 1HB GLU 19 28.939 -7.276 17.689 148 HB3 GLU 19 2HB GLU 19 29.849 -6.973 19.181 149 HG2 GLU 19 1HG GLU 19 28.927 -8.923 20.230 150 HG3 GLU 19 2HG GLU 19 27.779 -9.175 18.925 151 H SER 20 H SER 20 27.040 -5.250 17.272 152 HA SER 20 HA SER 20 28.331 -2.679 18.058 153 HB2 SER 20 1HB SER 20 28.651 -3.233 15.757 154 HB3 SER 20 2HB SER 20 26.973 -3.743 15.563 155 HG SER 20 HG SER 20 27.649 -1.566 14.753 156 HA PRO 21 HA PRO 21 24.484 -1.295 19.691 157 HB2 PRO 21 1HB PRO 21 24.674 1.417 19.357 158 HB3 PRO 21 2HB PRO 21 25.667 0.514 20.548 159 HG2 PRO 21 1HG PRO 21 26.400 1.365 17.751 160 HG3 PRO 21 2HG PRO 21 27.304 1.612 19.279 161 HD2 PRO 21 1HD PRO 21 27.923 -0.381 17.644 162 HD3 PRO 21 2HD PRO 21 27.940 -0.605 19.427 163 H ASP 22 H ASP 22 25.288 -0.931 16.349 164 HA ASP 22 HA ASP 22 22.551 0.056 15.700 165 HB2 ASP 22 1HB ASP 22 24.866 0.768 14.622 166 HB3 ASP 22 2HB ASP 22 24.607 -0.660 13.643 167 H GLU 23 H GLU 23 24.265 -2.815 16.106 168 HA GLU 23 HA GLU 23 23.134 -4.262 13.870 169 HB2 GLU 23 1HB GLU 23 25.368 -4.652 14.892 170 HB3 GLU 23 2HB GLU 23 24.573 -5.301 16.323 171 HG2 GLU 23 1HG GLU 23 23.627 -7.114 14.968 172 HG3 GLU 23 2HG GLU 23 24.354 -6.415 13.516 173 H LEU 24 H LEU 24 21.744 -6.045 13.974 174 HA LEU 24 HA LEU 24 19.744 -5.884 16.180 175 HB2 LEU 24 1HB LEU 24 19.644 -7.183 13.452 176 HB3 LEU 24 2HB LEU 24 18.379 -7.347 14.661 177 HG LEU 24 HG LEU 24 19.281 -4.753 13.355 178 HD11 LEU 24 1HD1 LEU 24 17.004 -4.829 12.345 179 HD12 LEU 24 2HD1 LEU 24 16.806 -6.463 12.999 180 HD13 LEU 24 3HD1 LEU 24 18.070 -6.133 11.795 181 HD21 LEU 24 1HD2 LEU 24 17.162 -5.355 15.446 182 HD22 LEU 24 2HD2 LEU 24 17.186 -3.861 14.475 183 HD23 LEU 24 3HD2 LEU 24 18.541 -4.226 15.560 184 H SER 25 H SER 25 19.091 -7.572 17.377 185 HA SER 25 HA SER 25 20.803 -9.996 17.319 186 HB2 SER 25 1HB SER 25 18.978 -8.908 19.507 187 HB3 SER 25 2HB SER 25 19.964 -10.376 19.604 188 HG SER 25 HG SER 25 20.816 -8.339 20.542 189 H PHE 26 H PHE 26 19.894 -11.821 16.750 190 HA PHE 26 HA PHE 26 17.005 -12.303 17.022 191 HB2 PHE 26 1HB PHE 26 16.700 -12.869 14.622 192 HB3 PHE 26 2HB PHE 26 16.945 -11.155 14.939 193 HD1 PHE 26 HD1 PHE 26 18.608 -9.942 13.875 194 HD2 PHE 26 HD2 PHE 26 18.747 -14.242 13.811 195 HE1 PHE 26 HE1 PHE 26 20.410 -9.852 12.197 196 HE2 PHE 26 HE2 PHE 26 20.578 -14.161 12.131 197 HZ PHE 26 HZ PHE 26 21.398 -11.978 11.299 198 H ARG 27 H ARG 27 16.359 -14.483 16.131 199 HA ARG 27 HA ARG 27 18.459 -16.455 16.949 200 HB2 ARG 27 1HB ARG 27 16.118 -16.147 18.062 201 HB3 ARG 27 2HB ARG 27 15.457 -16.822 16.576 202 HG2 ARG 27 1HG ARG 27 15.537 -18.674 17.935 203 HG3 ARG 27 2HG ARG 27 17.071 -18.825 17.073 204 HD2 ARG 27 1HD ARG 27 17.690 -17.220 19.277 205 HD3 ARG 27 2HD ARG 27 16.560 -18.417 19.931 206 HE ARG 27 HE ARG 27 19.252 -18.896 18.774 207 HH11 ARG 27 1HH1 ARG 27 16.333 -20.417 20.092 208 HH12 ARG 27 2HH1 ARG 27 17.158 -21.930 20.358 209 HH21 ARG 27 1HH2 ARG 27 20.200 -20.785 19.134 210 HH22 ARG 27 2HH2 ARG 27 19.316 -22.151 19.800 211 H LYS 28 H LYS 28 18.717 -18.369 15.736 212 HA LYS 28 HA LYS 28 18.638 -18.260 12.889 213 HB2 LYS 28 1HB LYS 28 19.980 -19.828 14.261 214 HB3 LYS 28 2HB LYS 28 18.511 -20.597 14.853 215 HG2 LYS 28 1HG LYS 28 18.051 -21.581 12.743 216 HG3 LYS 28 2HG LYS 28 19.272 -20.586 11.936 217 HD2 LYS 28 1HD LYS 28 21.038 -21.623 13.306 218 HD3 LYS 28 2HD LYS 28 19.833 -22.639 14.116 219 HE2 LYS 28 1HE LYS 28 19.879 -24.150 12.443 220 HE3 LYS 28 2HE LYS 28 19.708 -22.883 11.200 221 HZ1 LYS 28 1HZ LYS 28 21.856 -24.079 11.101 222 HZ2 LYS 28 2HZ LYS 28 22.248 -23.500 12.595 223 HZ3 LYS 28 3HZ LYS 28 22.043 -22.450 11.333 224 H GLY 29 H GLY 29 17.039 -18.487 11.466 225 HA2 GLY 29 1HA GLY 29 15.041 -19.455 10.660 226 HA3 GLY 29 2HA GLY 29 14.534 -19.829 12.307 227 H ASP 30 H ASP 30 15.534 -16.721 12.665 228 HA ASP 30 HA ASP 30 12.841 -15.693 12.728 229 HB2 ASP 30 1HB ASP 30 15.574 -14.638 13.238 230 HB3 ASP 30 2HB ASP 30 14.433 -13.451 12.624 231 H ILE 31 H ILE 31 11.999 -13.928 11.511 232 HA ILE 31 HA ILE 31 13.164 -13.709 8.766 233 HB ILE 31 HB ILE 31 10.222 -13.477 9.566 234 HG12 ILE 31 1HG1 ILE 31 10.882 -15.814 9.572 235 HG13 ILE 31 2HG1 ILE 31 9.885 -15.472 8.164 236 HG21 ILE 31 1HG2 ILE 31 11.675 -13.129 6.903 237 HG22 ILE 31 2HG2 ILE 31 9.911 -13.379 7.026 238 HG23 ILE 31 3HG2 ILE 31 10.657 -11.947 7.761 239 HD11 ILE 31 1HD1 ILE 31 12.139 -15.241 6.872 240 HD12 ILE 31 2HD1 ILE 31 12.818 -16.085 8.284 241 HD13 ILE 31 3HD1 ILE 31 11.539 -16.846 7.315 242 H MET 32 H MET 32 13.920 -11.747 8.360 243 HA MET 32 HA MET 32 12.654 -9.445 9.799 244 HB2 MET 32 1HB MET 32 14.851 -8.353 9.825 245 HB3 MET 32 2HB MET 32 14.838 -9.852 10.742 246 HG2 MET 32 1HG MET 32 15.727 -10.816 8.401 247 HG3 MET 32 2HG MET 32 16.322 -9.158 8.276 248 HE1 MET 32 1HE MET 32 16.356 -12.570 10.050 249 HE2 MET 32 2HE MET 32 17.489 -12.373 11.408 250 HE3 MET 32 3HE MET 32 15.860 -11.674 11.507 251 H THR 33 H THR 33 12.658 -7.479 8.686 252 HA THR 33 HA THR 33 12.227 -7.882 5.787 253 HB THR 33 HB THR 33 11.796 -5.442 7.576 254 HG1 THR 33 HG1 THR 33 9.606 -6.102 7.425 255 HG21 THR 33 1HG2 THR 33 10.955 -6.068 4.732 256 HG22 THR 33 2HG2 THR 33 12.024 -4.753 5.290 257 HG23 THR 33 3HG2 THR 33 10.301 -4.727 5.708 258 H VAL 34 H VAL 34 13.924 -7.573 4.427 259 HA VAL 34 HA VAL 34 16.244 -6.001 5.296 260 HB VAL 34 HB VAL 34 15.695 -7.206 2.574 261 HG11 VAL 34 1HG1 VAL 34 18.179 -7.152 2.361 262 HG12 VAL 34 2HG1 VAL 34 17.483 -5.528 2.536 263 HG13 VAL 34 3HG1 VAL 34 18.275 -6.306 3.925 264 HG21 VAL 34 1HG2 VAL 34 15.595 -8.990 4.171 265 HG22 VAL 34 2HG2 VAL 34 17.178 -9.055 3.385 266 HG23 VAL 34 3HG2 VAL 34 17.040 -8.383 5.020 267 H LEU 35 H LEU 35 16.427 -3.917 5.043 268 HA LEU 35 HA LEU 35 14.480 -2.518 3.301 269 HB2 LEU 35 1HB LEU 35 16.434 -1.547 5.400 270 HB3 LEU 35 2HB LEU 35 15.265 -0.533 4.561 271 HG LEU 35 HG LEU 35 14.504 -2.909 6.301 272 HD11 LEU 35 1HD1 LEU 35 14.713 0.029 6.936 273 HD12 LEU 35 2HD1 LEU 35 15.609 -1.326 7.669 274 HD13 LEU 35 3HD1 LEU 35 13.863 -1.168 7.943 275 HD21 LEU 35 1HD2 LEU 35 12.874 -0.609 5.157 276 HD22 LEU 35 2HD2 LEU 35 12.275 -1.826 6.305 277 HD23 LEU 35 3HD2 LEU 35 12.772 -2.319 4.681 278 H GLU 36 H GLU 36 18.023 -2.683 3.976 279 HA GLU 36 HA GLU 36 18.429 -2.407 1.087 280 HB2 GLU 36 1HB GLU 36 19.646 -0.465 0.991 281 HB3 GLU 36 2HB GLU 36 18.347 -0.049 2.088 282 HG2 GLU 36 1HG GLU 36 19.932 -0.490 3.936 283 HG3 GLU 36 2HG GLU 36 21.194 -0.509 2.705 284 H ARG 37 H ARG 37 20.928 -2.497 0.646 285 HA ARG 37 HA ARG 37 22.169 -4.327 2.668 286 HB2 ARG 37 1HB ARG 37 22.395 -4.467 -0.350 287 HB3 ARG 37 2HB ARG 37 23.205 -5.527 0.806 288 HG2 ARG 37 1HG ARG 37 20.881 -6.316 1.525 289 HG3 ARG 37 2HG ARG 37 20.260 -5.436 0.109 290 HD2 ARG 37 1HD ARG 37 22.149 -7.786 0.201 291 HD3 ARG 37 2HD ARG 37 20.625 -7.670 -0.675 292 HE ARG 37 HE ARG 37 23.278 -6.608 -1.454 293 HH11 ARG 37 1HH1 ARG 37 19.824 -6.571 -2.213 294 HH12 ARG 37 2HH1 ARG 37 20.094 -5.914 -3.804 295 HH21 ARG 37 1HH2 ARG 37 23.538 -5.767 -3.462 296 HH22 ARG 37 2HH2 ARG 37 22.170 -5.475 -4.504 297 H ASP 38 H ASP 38 24.441 -4.091 2.762 298 HA ASP 38 HA ASP 38 26.401 -2.982 2.729 299 HB2 ASP 38 1HB ASP 38 25.617 -2.130 -0.068 300 HB3 ASP 38 2HB ASP 38 27.253 -2.345 0.575 301 H THR 39 H THR 39 24.154 -1.853 3.833 302 HA THR 39 HA THR 39 23.654 0.879 3.235 303 HB THR 39 HB THR 39 22.109 -0.440 4.564 304 HG1 THR 39 HG1 THR 39 21.839 1.589 5.182 305 HG21 THR 39 1HG2 THR 39 24.333 -0.720 6.556 306 HG22 THR 39 2HG2 THR 39 23.476 -1.996 5.653 307 HG23 THR 39 3HG2 THR 39 22.618 -1.057 6.880 308 H GLN 40 H GLN 40 24.436 2.761 4.151 309 HA GLN 40 HA GLN 40 25.985 4.222 4.920 310 HB2 GLN 40 1HB GLN 40 26.922 2.295 7.004 311 HB3 GLN 40 2HB GLN 40 26.732 4.038 7.096 312 HG2 GLN 40 1HG GLN 40 24.248 3.662 6.968 313 HG3 GLN 40 2HG GLN 40 24.555 1.934 7.097 314 HE21 GLN 40 1HE2 GLN 40 24.191 2.188 10.541 315 HE22 GLN 40 2HE2 GLN 40 23.615 1.542 9.021 316 H GLY 41 H GLY 41 26.877 1.713 3.193 317 HA2 GLY 41 1HA GLY 41 28.852 1.435 1.958 318 HA3 GLY 41 2HA GLY 41 29.689 2.580 3.027 319 H LEU 42 H LEU 42 27.809 0.166 4.644 320 HA LEU 42 HA LEU 42 30.281 -1.143 5.569 321 HB2 LEU 42 1HB LEU 42 27.384 -1.460 6.376 322 HB3 LEU 42 2HB LEU 42 28.766 -2.154 7.207 323 HG LEU 42 HG LEU 42 28.331 0.825 6.941 324 HD11 LEU 42 1HD1 LEU 42 27.399 0.688 9.216 325 HD12 LEU 42 2HD1 LEU 42 27.471 -1.091 9.122 326 HD13 LEU 42 3HD1 LEU 42 26.414 -0.176 8.017 327 HD21 LEU 42 1HD2 LEU 42 29.937 -0.851 8.903 328 HD22 LEU 42 2HD2 LEU 42 29.806 0.919 8.895 329 HD23 LEU 42 3HD2 LEU 42 30.615 0.089 7.549 330 H ASP 43 H ASP 43 30.778 -2.234 3.626 331 HA ASP 43 HA ASP 43 28.952 -3.729 2.066 332 HB2 ASP 43 1HB ASP 43 31.926 -3.897 2.521 333 HB3 ASP 43 2HB ASP 43 31.104 -5.189 1.634 334 H GLY 44 H GLY 44 27.933 -5.594 2.276 335 HA2 GLY 44 1HA GLY 44 27.638 -7.803 3.025 336 HA3 GLY 44 2HA GLY 44 28.976 -7.612 4.164 337 H TRP 45 H TRP 45 27.439 -4.917 5.007 338 HA TRP 45 HA TRP 45 25.769 -6.301 7.014 339 HB2 TRP 45 1HB TRP 45 26.864 -3.528 6.594 340 HB3 TRP 45 2HB TRP 45 25.669 -3.829 7.811 341 HD1 TRP 45 HD1 TRP 45 29.360 -4.055 7.205 342 HE1 TRP 45 HE1 TRP 45 30.600 -5.050 9.192 343 HE3 TRP 45 HE3 TRP 45 25.280 -5.783 9.710 344 HZ2 TRP 45 HZ2 TRP 45 29.870 -6.541 11.553 345 HZ3 TRP 45 HZ3 TRP 45 25.597 -6.976 11.860 346 HH2 TRP 45 HH2 TRP 45 27.858 -7.369 12.761 347 H TRP 46 H TRP 46 23.583 -6.333 6.859 348 HA TRP 46 HA TRP 46 22.371 -4.700 4.657 349 HB2 TRP 46 1HB TRP 46 21.502 -7.371 5.825 350 HB3 TRP 46 2HB TRP 46 20.632 -6.473 4.575 351 HD1 TRP 46 HD1 TRP 46 24.071 -5.988 3.558 352 HE1 TRP 46 HE1 TRP 46 24.947 -7.665 1.884 353 HE3 TRP 46 HE3 TRP 46 20.372 -9.517 4.103 354 HZ2 TRP 46 HZ2 TRP 46 24.172 -10.234 0.903 355 HZ3 TRP 46 HZ3 TRP 46 20.554 -11.617 2.784 356 HH2 TRP 46 HH2 TRP 46 22.409 -11.947 1.169 357 H LEU 47 H LEU 47 20.911 -3.216 5.210 358 HA LEU 47 HA LEU 47 20.218 -2.817 8.024 359 HB2 LEU 47 1HB LEU 47 20.510 -0.915 6.453 360 HB3 LEU 47 2HB LEU 47 19.208 -1.547 5.454 361 HG LEU 47 HG LEU 47 17.602 -1.116 7.234 362 HD11 LEU 47 1HD1 LEU 47 18.891 -1.370 9.221 363 HD12 LEU 47 2HD1 LEU 47 18.284 0.290 9.182 364 HD13 LEU 47 3HD1 LEU 47 19.978 -0.038 8.758 365 HD21 LEU 47 1HD2 LEU 47 18.066 0.604 5.541 366 HD22 LEU 47 2HD2 LEU 47 19.331 1.293 6.583 367 HD23 LEU 47 3HD2 LEU 47 17.626 1.331 7.099 368 H CYS 48 H CYS 48 18.635 -3.910 9.014 369 HA CYS 48 HA CYS 48 16.262 -4.640 7.377 370 HB2 CYS 48 1HB CYS 48 17.479 -6.533 9.415 371 HB3 CYS 48 2HB CYS 48 16.183 -6.858 8.271 372 HG CYS 48 HG CYS 48 19.366 -6.227 7.633 373 H SER 49 H SER 49 14.474 -5.436 8.789 374 HA SER 49 HA SER 49 14.492 -3.948 11.380 375 HB2 SER 49 1HB SER 49 12.683 -2.794 10.764 376 HB3 SER 49 2HB SER 49 13.013 -3.310 9.124 377 HG SER 49 HG SER 49 11.742 -5.305 9.944 378 H LEU 50 H LEU 50 14.134 -5.194 13.089 379 HA LEU 50 HA LEU 50 12.459 -7.640 12.912 380 HB2 LEU 50 1HB LEU 50 14.915 -8.183 12.352 381 HB3 LEU 50 2HB LEU 50 15.308 -7.692 13.975 382 HG LEU 50 HG LEU 50 15.227 -10.154 13.461 383 HD11 LEU 50 1HD1 LEU 50 13.471 -9.440 15.772 384 HD12 LEU 50 2HD1 LEU 50 15.237 -9.231 15.765 385 HD13 LEU 50 3HD1 LEU 50 14.523 -10.846 15.572 386 HD21 LEU 50 1HD2 LEU 50 13.072 -10.079 12.198 387 HD22 LEU 50 2HD2 LEU 50 12.236 -9.839 13.744 388 HD23 LEU 50 3HD2 LEU 50 13.150 -11.329 13.455 389 H HIS 51 H HIS 51 11.598 -8.080 15.000 390 HA HIS 51 HA HIS 51 10.926 -7.631 17.145 391 HB2 HIS 51 1HB HIS 51 13.816 -7.552 17.102 392 HB3 HIS 51 2HB HIS 51 13.238 -6.416 18.311 393 HD1 HIS 51 HD1 HIS 51 11.632 -7.491 20.230 394 HD2 HIS 51 HD2 HIS 51 13.727 -10.165 17.805 395 HE1 HIS 51 HE1 HIS 51 11.599 -9.732 21.409 396 H GLY 52 H GLY 52 10.660 -5.436 15.095 397 HA2 GLY 52 1HA GLY 52 9.710 -3.326 15.140 398 HA3 GLY 52 2HA GLY 52 9.692 -3.409 16.910 399 H ARG 53 H ARG 53 12.740 -3.975 15.353 400 HA ARG 53 HA ARG 53 13.640 -1.200 15.991 401 HB2 ARG 53 1HB ARG 53 14.137 -3.366 17.552 402 HB3 ARG 53 2HB ARG 53 15.431 -3.584 16.383 403 HG2 ARG 53 1HG ARG 53 15.037 -0.962 17.850 404 HG3 ARG 53 2HG ARG 53 15.910 -2.322 18.572 405 HD2 ARG 53 1HD ARG 53 17.255 -2.295 16.309 406 HD3 ARG 53 2HD ARG 53 16.684 -0.618 16.225 407 HE ARG 53 HE ARG 53 17.732 -1.071 18.811 408 HH11 ARG 53 1HH1 ARG 53 18.976 -0.838 15.491 409 HH12 ARG 53 2HH1 ARG 53 20.565 -0.375 16.049 410 HH21 ARG 53 1HH2 ARG 53 19.757 -0.469 19.404 411 HH22 ARG 53 2HH2 ARG 53 20.998 -0.168 18.210 412 H GLN 54 H GLN 54 15.292 -0.487 14.558 413 HA GLN 54 HA GLN 54 15.629 -2.167 12.109 414 HB2 GLN 54 1HB GLN 54 14.893 0.584 12.539 415 HB3 GLN 54 2HB GLN 54 16.460 0.532 11.716 416 HG2 GLN 54 1HG GLN 54 15.507 -0.888 9.998 417 HG3 GLN 54 2HG GLN 54 13.947 -0.870 10.838 418 HE21 GLN 54 1HE2 GLN 54 15.238 2.546 8.933 419 HE22 GLN 54 2HE2 GLN 54 16.402 1.382 9.515 420 H GLY 55 H GLY 55 17.761 -2.510 11.363 421 HA2 GLY 55 1HA GLY 55 20.002 -1.051 12.329 422 HA3 GLY 55 2HA GLY 55 19.784 -2.481 13.348 423 H ILE 56 H ILE 56 22.096 -2.490 12.164 424 HA ILE 56 HA ILE 56 21.907 -3.693 9.483 425 HB ILE 56 HB ILE 56 24.376 -3.686 9.461 426 HG12 ILE 56 1HG1 ILE 56 24.102 -2.690 12.354 427 HG13 ILE 56 2HG1 ILE 56 24.690 -4.280 11.873 428 HG21 ILE 56 1HG2 ILE 56 22.952 -1.571 9.057 429 HG22 ILE 56 2HG2 ILE 56 23.434 -1.033 10.688 430 HG23 ILE 56 3HG2 ILE 56 24.664 -1.310 9.432 431 HD11 ILE 56 1HD1 ILE 56 26.557 -3.072 10.626 432 HD12 ILE 56 2HD1 ILE 56 26.024 -1.592 11.456 433 HD13 ILE 56 3HD1 ILE 56 26.602 -2.982 12.400 434 H VAL 57 H VAL 57 22.774 -5.708 8.939 435 HA VAL 57 HA VAL 57 23.031 -7.706 11.143 436 HB VAL 57 HB VAL 57 21.267 -8.003 8.703 437 HG11 VAL 57 1HG1 VAL 57 21.932 -9.929 10.836 438 HG12 VAL 57 2HG1 VAL 57 20.556 -10.121 9.739 439 HG13 VAL 57 3HG1 VAL 57 22.207 -10.085 9.091 440 HG21 VAL 57 1HG2 VAL 57 19.396 -8.201 10.355 441 HG22 VAL 57 2HG2 VAL 57 20.558 -7.695 11.607 442 HG23 VAL 57 3HG2 VAL 57 20.139 -6.590 10.283 443 HA PRO 58 HA PRO 58 26.234 -8.789 8.242 444 HB2 PRO 58 1HB PRO 58 26.974 -11.265 9.149 445 HB3 PRO 58 2HB PRO 58 27.376 -9.756 10.027 446 HG2 PRO 58 1HG PRO 58 25.131 -11.677 10.530 447 HG3 PRO 58 2HG PRO 58 26.292 -10.962 11.690 448 HD2 PRO 58 1HD PRO 58 23.783 -9.967 11.294 449 HD3 PRO 58 2HD PRO 58 25.167 -8.927 11.716 450 H GLY 59 H GLY 59 25.663 -9.255 6.187 451 HA2 GLY 59 1HA GLY 59 23.441 -10.856 5.464 452 HA3 GLY 59 2HA GLY 59 24.755 -10.353 4.388 453 H ASN 60 H ASN 60 26.727 -11.732 6.197 454 HA ASN 60 HA ASN 60 26.835 -14.237 4.842 455 HB2 ASN 60 1HB ASN 60 28.702 -12.818 5.958 456 HB3 ASN 60 2HB ASN 60 28.244 -13.641 7.458 457 HD21 ASN 60 1HD2 ASN 60 30.694 -15.968 6.533 458 HD22 ASN 60 2HD2 ASN 60 30.238 -14.675 7.626 459 H ARG 61 H ARG 61 24.892 -13.325 7.522 460 HA ARG 61 HA ARG 61 24.529 -16.216 8.247 461 HB2 ARG 61 1HB ARG 61 24.096 -13.718 9.928 462 HB3 ARG 61 2HB ARG 61 23.664 -15.358 10.424 463 HG2 ARG 61 1HG ARG 61 26.026 -16.042 10.278 464 HG3 ARG 61 2HG ARG 61 26.483 -14.395 9.802 465 HD2 ARG 61 1HD ARG 61 25.701 -13.512 11.929 466 HD3 ARG 61 2HD ARG 61 25.077 -15.105 12.392 467 HE ARG 61 HE ARG 61 27.830 -15.411 11.797 468 HH11 ARG 61 1HH1 ARG 61 25.892 -13.749 14.255 469 HH12 ARG 61 2HH1 ARG 61 27.134 -13.947 15.467 470 HH21 ARG 61 1HH2 ARG 61 29.330 -15.599 13.368 471 HH22 ARG 61 2HH2 ARG 61 29.054 -14.950 14.973 472 H LEU 62 H LEU 62 23.268 -14.099 6.215 473 HA LEU 62 HA LEU 62 20.438 -14.728 6.956 474 HB2 LEU 62 1HB LEU 62 21.755 -12.239 6.008 475 HB3 LEU 62 2HB LEU 62 20.222 -12.638 5.250 476 HG LEU 62 HG LEU 62 20.683 -12.224 8.193 477 HD11 LEU 62 1HD1 LEU 62 19.325 -10.198 7.815 478 HD12 LEU 62 2HD1 LEU 62 19.212 -10.602 6.085 479 HD13 LEU 62 3HD1 LEU 62 20.786 -10.189 6.810 480 HD21 LEU 62 1HD2 LEU 62 18.917 -13.740 8.165 481 HD22 LEU 62 2HD2 LEU 62 18.209 -13.049 6.696 482 HD23 LEU 62 3HD2 LEU 62 18.125 -12.173 8.235 483 H LYS 63 H LYS 63 18.976 -15.120 5.390 484 HA LYS 63 HA LYS 63 20.061 -15.519 2.622 485 HB2 LYS 63 1HB LYS 63 19.848 -17.739 3.553 486 HB3 LYS 63 2HB LYS 63 18.229 -17.384 4.167 487 HG2 LYS 63 1HG LYS 63 17.290 -17.371 1.975 488 HG3 LYS 63 2HG LYS 63 18.886 -17.276 1.211 489 HD2 LYS 63 1HD LYS 63 18.027 -19.499 0.938 490 HD3 LYS 63 2HD LYS 63 19.408 -19.546 2.050 491 HE2 LYS 63 1HE LYS 63 17.793 -19.591 3.970 492 HE3 LYS 63 2HE LYS 63 16.459 -19.669 2.796 493 HZ1 LYS 63 1HZ LYS 63 18.665 -21.646 3.031 494 HZ2 LYS 63 2HZ LYS 63 17.427 -21.729 1.945 495 HZ3 LYS 63 3HZ LYS 63 17.121 -21.878 3.560 496 H ILE 64 H ILE 64 19.081 -14.276 1.265 497 HA ILE 64 HA ILE 64 16.688 -12.830 1.905 498 HB ILE 64 HB ILE 64 18.028 -13.354 -0.795 499 HG12 ILE 64 1HG1 ILE 64 19.562 -12.244 0.785 500 HG13 ILE 64 2HG1 ILE 64 19.104 -11.185 -0.542 501 HG21 ILE 64 1HG2 ILE 64 15.916 -11.387 0.078 502 HG22 ILE 64 2HG2 ILE 64 16.897 -11.136 -1.380 503 HG23 ILE 64 3HG2 ILE 64 15.840 -12.561 -1.255 504 HD11 ILE 64 1HD1 ILE 64 18.094 -11.038 2.327 505 HD12 ILE 64 2HD1 ILE 64 19.122 -9.870 1.477 506 HD13 ILE 64 3HD1 ILE 64 17.431 -10.052 1.001 507 H LEU 65 H LEU 65 14.623 -13.414 1.720 508 HA LEU 65 HA LEU 65 13.924 -15.811 0.081 509 HB2 LEU 65 1HB LEU 65 12.237 -14.299 2.111 510 HB3 LEU 65 2HB LEU 65 11.864 -15.850 1.367 511 HG LEU 65 HG LEU 65 14.051 -15.290 3.408 512 HD11 LEU 65 1HD1 LEU 65 11.405 -16.768 3.601 513 HD12 LEU 65 2HD1 LEU 65 11.791 -15.179 4.311 514 HD13 LEU 65 3HD1 LEU 65 12.620 -16.631 4.890 515 HD21 LEU 65 1HD2 LEU 65 14.835 -17.101 2.005 516 HD22 LEU 65 2HD2 LEU 65 13.249 -17.913 2.089 517 HD23 LEU 65 3HD2 LEU 65 14.264 -17.782 3.546 518 H VAL 66 H VAL 66 13.499 -15.058 -1.942 519 HA VAL 66 HA VAL 66 13.304 -12.340 -2.571 520 HB VAL 66 HB VAL 66 12.185 -14.618 -4.268 521 HG11 VAL 66 1HG1 VAL 66 11.616 -12.344 -5.078 522 HG12 VAL 66 2HG1 VAL 66 13.336 -11.890 -5.025 523 HG13 VAL 66 3HG1 VAL 66 12.773 -13.138 -6.160 524 HG21 VAL 66 1HG2 VAL 66 14.463 -15.221 -3.634 525 HG22 VAL 66 2HG2 VAL 66 14.489 -14.641 -5.307 526 HG23 VAL 66 3HG2 VAL 66 15.048 -13.578 -3.994 527 H GLY 67 H GLY 67 11.805 -10.889 -2.206 528 HA2 GLY 67 1HA GLY 67 9.134 -11.737 -1.381 529 HA3 GLY 67 2HA GLY 67 9.796 -10.093 -1.347 530 H MET 68 H MET 68 7.362 -10.113 -2.104 531 HA MET 68 HA MET 68 5.892 -9.446 -3.673 532 HB2 MET 68 1HB MET 68 8.408 -8.740 -5.208 533 HB3 MET 68 2HB MET 68 6.782 -8.297 -5.715 534 HG2 MET 68 1HG MET 68 7.625 -6.390 -4.624 535 HG3 MET 68 2HG MET 68 6.479 -7.123 -3.503 536 HE1 MET 68 1HE MET 68 11.062 -6.776 -2.912 537 HE2 MET 68 2HE MET 68 10.430 -7.705 -4.296 538 HE3 MET 68 3HE MET 68 10.096 -5.960 -4.161 539 H TYR 69 H TYR 69 7.428 -12.285 -4.139 540 HA TYR 69 HA TYR 69 6.268 -12.828 -6.803 541 HB2 TYR 69 1HB TYR 69 8.000 -14.301 -4.853 542 HB3 TYR 69 2HB TYR 69 6.968 -15.264 -5.922 543 HD1 TYR 69 HD1 TYR 69 7.660 -15.752 -8.126 544 HD2 TYR 69 HD2 TYR 69 9.507 -12.479 -6.037 545 HE1 TYR 69 HE1 TYR 69 9.293 -15.473 -9.994 546 HE2 TYR 69 HE2 TYR 69 11.124 -12.197 -7.915 547 HH TYR 69 HH TYR 69 11.070 -14.281 -10.805 548 H ASP 70 H ASP 70 5.952 -14.472 -3.596 549 HA ASP 70 HA ASP 70 3.058 -14.179 -3.653 550 HB2 ASP 70 1HB ASP 70 2.399 -16.365 -4.002 551 HB3 ASP 70 2HB ASP 70 3.683 -16.196 -5.206 552 H LYS 71 H LYS 71 2.295 -15.951 -1.742 553 HA LYS 71 HA LYS 71 4.330 -15.916 0.401 554 HB2 LYS 71 1HB LYS 71 2.856 -13.746 0.268 555 HB3 LYS 71 2HB LYS 71 1.619 -14.751 1.027 556 HG2 LYS 71 1HG LYS 71 3.270 -15.253 2.876 557 HG3 LYS 71 2HG LYS 71 4.396 -14.114 2.125 558 HD2 LYS 71 1HD LYS 71 1.592 -13.387 3.070 559 HD3 LYS 71 2HD LYS 71 3.063 -13.164 4.035 560 HE2 LYS 71 1HE LYS 71 3.991 -11.698 2.227 561 HE3 LYS 71 2HE LYS 71 2.450 -11.846 1.356 562 HZ1 LYS 71 1HZ LYS 71 2.776 -10.697 4.071 563 HZ2 LYS 71 2HZ LYS 71 1.346 -10.834 3.261 564 HZ3 LYS 71 3HZ LYS 71 2.526 -9.832 2.689 565 H LYS 72 H LYS 72 3.095 -18.131 -1.065 566 HA LYS 72 HA LYS 72 1.075 -19.263 0.771 567 HB2 LYS 72 1HB LYS 72 2.643 -20.519 -1.508 568 HB3 LYS 72 2HB LYS 72 1.320 -21.298 -0.638 569 HG2 LYS 72 1HG LYS 72 -0.248 -19.581 -1.456 570 HG3 LYS 72 2HG LYS 72 1.076 -18.777 -2.311 571 HD2 LYS 72 1HD LYS 72 1.353 -21.329 -3.257 572 HD3 LYS 72 2HD LYS 72 -0.399 -21.264 -2.991 573 HE2 LYS 72 1HE LYS 72 -0.086 -20.522 -5.225 574 HE3 LYS 72 2HE LYS 72 -0.349 -19.037 -4.285 575 HZ1 LYS 72 1HZ LYS 72 1.528 -18.694 -5.693 576 HZ2 LYS 72 2HZ LYS 72 2.246 -20.108 -5.243 577 HZ3 LYS 72 3HZ LYS 72 2.141 -18.867 -4.165 578 HA PRO 73 HA PRO 73 4.223 -21.012 3.302 579 HB2 PRO 73 1HB PRO 73 2.978 -23.121 4.517 580 HB3 PRO 73 2HB PRO 73 2.581 -21.417 4.915 581 HG2 PRO 73 1HG PRO 73 1.153 -23.315 3.064 582 HG3 PRO 73 2HG PRO 73 0.474 -22.256 4.340 583 HD2 PRO 73 1HD PRO 73 0.482 -21.572 1.698 584 HD3 PRO 73 2HD PRO 73 0.645 -20.350 3.003 585 H ALA 74 H ALA 74 5.930 -22.321 2.794 586 HA ALA 74 HA ALA 74 5.504 -24.976 1.648 587 HB1 ALA 74 1HB ALA 74 6.908 -22.777 0.044 588 HB2 ALA 74 2HB ALA 74 6.870 -24.504 -0.389 589 HB3 ALA 74 3HB ALA 74 5.365 -23.555 -0.383 590 H GLY 75 H GLY 75 7.246 -26.306 2.090 591 HA2 GLY 75 1HA GLY 75 9.290 -26.953 2.949 592 HA3 GLY 75 2HA GLY 75 9.904 -25.373 2.440 593 H SER 76 H SER 76 11.117 -24.837 4.127 594 HA SER 76 HA SER 76 11.713 -24.074 6.175 595 HB2 SER 76 1HB SER 76 9.868 -22.467 5.537 596 HB3 SER 76 2HB SER 76 8.790 -23.396 6.601 597 HG SER 76 HG SER 76 10.186 -22.961 8.318 598 H GLY 77 H GLY 77 10.888 -26.939 6.081 599 HA2 GLY 77 1HA GLY 77 9.767 -27.446 8.731 600 HA3 GLY 77 2HA GLY 77 10.430 -28.648 7.604 601 H GLY 78 H GLY 78 11.045 -28.808 10.321 602 HA2 GLY 78 1HA GLY 78 13.861 -28.976 10.270 603 HA3 GLY 78 2HA GLY 78 13.420 -27.458 11.092 604 H SER 79 H SER 79 14.637 -29.192 12.728 605 HA SER 79 HA SER 79 12.521 -30.814 14.047 606 HB2 SER 79 1HB SER 79 15.534 -30.762 14.455 607 HB3 SER 79 2HB SER 79 14.391 -31.884 15.226 608 HG SER 79 HG SER 79 15.376 -32.789 13.358 609 H GLY 80 H GLY 80 11.655 -30.209 15.945 610 HA2 GLY 80 1HA GLY 80 12.534 -27.694 17.162 611 HA3 GLY 80 2HA GLY 80 11.129 -28.670 17.613 612 H SER 81 H SER 81 14.584 -29.606 17.413 613 HA SER 81 HA SER 81 14.412 -31.173 19.782 614 HB2 SER 81 1HB SER 81 16.940 -30.035 18.551 615 HB3 SER 81 2HB SER 81 16.756 -31.546 19.470 616 HG SER 81 HG SER 81 16.780 -32.036 17.287 617 H GLY 82 H GLY 82 15.228 -27.781 19.331 618 HA2 GLY 82 1HA GLY 82 15.360 -26.151 20.985 619 HA3 GLY 82 2HA GLY 82 15.220 -27.407 22.220 620 H LEU 83 H LEU 83 17.595 -28.595 20.413 621 HA LEU 83 HA LEU 83 19.659 -27.805 22.279 622 HB2 LEU 83 1HB LEU 83 19.818 -29.356 19.668 623 HB3 LEU 83 2HB LEU 83 21.092 -29.259 20.878 624 HG LEU 83 HG LEU 83 18.375 -30.553 21.315 625 HD11 LEU 83 1HD1 LEU 83 19.751 -31.750 19.654 626 HD12 LEU 83 2HD1 LEU 83 19.601 -32.677 21.162 627 HD13 LEU 83 3HD1 LEU 83 21.107 -31.796 20.803 628 HD21 LEU 83 1HD2 LEU 83 19.456 -31.530 23.331 629 HD22 LEU 83 2HD2 LEU 83 19.333 -29.764 23.425 630 HD23 LEU 83 3HD2 LEU 83 20.894 -30.526 23.031 631 H THR 84 H THR 84 21.702 -26.857 21.699 632 HA THR 84 HA THR 84 21.511 -24.839 19.517 633 HB THR 84 HB THR 84 23.671 -24.008 20.584 634 HG1 THR 84 HG1 THR 84 24.089 -26.107 21.590 635 HG21 THR 84 1HG2 THR 84 21.497 -22.995 21.214 636 HG22 THR 84 2HG2 THR 84 22.618 -23.050 22.591 637 HG23 THR 84 3HG2 THR 84 21.293 -24.230 22.482 638 H ASP 85 H ASP 85 22.518 -25.296 17.612 639 HA ASP 85 HA ASP 85 24.899 -27.006 17.541 640 HB2 ASP 85 1HB ASP 85 22.710 -28.468 17.511 641 HB3 ASP 85 2HB ASP 85 22.511 -27.835 15.870 642 H GLU 86 H GLU 86 25.579 -27.207 15.199 643 HA GLU 86 HA GLU 86 26.313 -26.216 13.300 644 HB2 GLU 86 1HB GLU 86 23.783 -26.496 12.840 645 HB3 GLU 86 2HB GLU 86 23.722 -24.736 12.962 646 HG2 GLU 86 1HG GLU 86 25.601 -24.692 11.228 647 HG3 GLU 86 2HG GLU 86 25.311 -26.423 11.003 648 H LEU 87 H LEU 87 27.922 -25.043 14.278 649 HA LEU 87 HA LEU 87 27.595 -22.483 15.467 650 HB2 LEU 87 1HB LEU 87 30.034 -23.752 14.178 651 HB3 LEU 87 2HB LEU 87 30.064 -22.306 15.182 652 HG LEU 87 HG LEU 87 29.212 -25.063 16.140 653 HD11 LEU 87 1HD1 LEU 87 31.602 -24.963 15.550 654 HD12 LEU 87 2HD1 LEU 87 31.378 -25.087 17.307 655 HD13 LEU 87 3HD1 LEU 87 31.802 -23.521 16.576 656 HD21 LEU 87 1HD2 LEU 87 28.151 -23.302 17.468 657 HD22 LEU 87 2HD2 LEU 87 29.711 -22.461 17.656 658 HD23 LEU 87 3HD2 LEU 87 29.451 -24.053 18.409 659 H ALA 88 H ALA 88 27.903 -20.443 14.748 660 HA ALA 88 HA ALA 88 27.175 -20.089 11.983 661 HB1 ALA 88 1HB ALA 88 26.177 -18.850 13.929 662 HB2 ALA 88 2HB ALA 88 27.720 -17.982 14.108 663 HB3 ALA 88 3HB ALA 88 26.755 -17.795 12.623 664 HA PRO 89 HA PRO 89 31.187 -18.809 10.495 665 HB2 PRO 89 1HB PRO 89 30.498 -17.367 8.297 666 HB3 PRO 89 2HB PRO 89 30.265 -19.137 8.363 667 HG2 PRO 89 1HG PRO 89 28.284 -16.940 8.904 668 HG3 PRO 89 2HG PRO 89 28.125 -18.353 7.811 669 HD2 PRO 89 1HD PRO 89 27.109 -18.352 10.319 670 HD3 PRO 89 2HD PRO 89 27.808 -19.836 9.584 671 HA PRO 90 HA PRO 90 31.741 -14.834 12.215 672 HB2 PRO 90 1HB PRO 90 33.734 -13.619 10.808 673 HB3 PRO 90 2HB PRO 90 34.020 -15.082 11.806 674 HG2 PRO 90 1HG PRO 90 33.507 -14.890 8.850 675 HG3 PRO 90 2HG PRO 90 34.834 -15.733 9.712 676 HD2 PRO 90 1HD PRO 90 32.629 -17.044 8.872 677 HD3 PRO 90 2HD PRO 90 33.413 -17.466 10.429 678 H LYS 91 H LYS 91 31.557 -12.500 12.006 679 HA LYS 91 HA LYS 91 29.741 -11.695 9.797 680 HB2 LYS 91 1HB LYS 91 29.322 -9.710 11.261 681 HB3 LYS 91 2HB LYS 91 28.910 -11.239 12.039 682 HG2 LYS 91 1HG LYS 91 30.993 -11.161 13.355 683 HG3 LYS 91 2HG LYS 91 31.479 -9.676 12.522 684 HD2 LYS 91 1HD LYS 91 30.609 -9.065 14.674 685 HD3 LYS 91 2HD LYS 91 29.446 -8.542 13.450 686 HE2 LYS 91 1HE LYS 91 28.010 -10.492 13.946 687 HE3 LYS 91 2HE LYS 91 29.218 -11.085 15.114 688 HZ1 LYS 91 1HZ LYS 91 27.492 -9.906 16.260 689 HZ2 LYS 91 2HZ LYS 91 27.675 -8.564 15.321 690 HZ3 LYS 91 3HZ LYS 91 28.886 -9.025 16.362 691 HA PRO 92 HA PRO 92 33.111 -9.390 8.072 692 HB2 PRO 92 1HB PRO 92 31.883 -7.204 6.946 693 HB3 PRO 92 2HB PRO 92 31.737 -8.852 6.264 694 HG2 PRO 92 1HG PRO 92 29.857 -7.366 8.023 695 HG3 PRO 92 2HG PRO 92 29.520 -8.293 6.541 696 HD2 PRO 92 1HD PRO 92 29.132 -9.278 9.038 697 HD3 PRO 92 2HD PRO 92 29.626 -10.325 7.666 698 HA PRO 93 HA PRO 93 34.182 -6.508 11.194 699 HB2 PRO 93 1HB PRO 93 36.001 -4.832 10.062 700 HB3 PRO 93 2HB PRO 93 36.333 -6.582 10.272 701 HG2 PRO 93 1HG PRO 93 35.301 -5.137 7.849 702 HG3 PRO 93 2HG PRO 93 36.703 -6.248 7.987 703 HD2 PRO 93 1HD PRO 93 34.291 -7.107 7.139 704 HD3 PRO 93 2HD PRO 93 35.326 -8.140 8.185 705 H LEU 94 H LEU 94 34.424 -4.113 11.761 706 HA LEU 94 HA LEU 94 32.471 -2.429 10.286 707 HB2 LEU 94 1HB LEU 94 32.473 -3.279 13.181 708 HB3 LEU 94 2HB LEU 94 31.869 -1.686 12.760 709 HG LEU 94 HG LEU 94 30.762 -4.327 11.761 710 HD11 LEU 94 1HD1 LEU 94 28.837 -3.727 13.068 711 HD12 LEU 94 2HD1 LEU 94 29.592 -2.179 13.520 712 HD13 LEU 94 3HD1 LEU 94 30.283 -3.720 14.104 713 HD21 LEU 94 1HD2 LEU 94 30.458 -2.627 10.025 714 HD22 LEU 94 2HD2 LEU 94 29.800 -1.488 11.225 715 HD23 LEU 94 3HD2 LEU 94 28.919 -2.972 10.815 716 HA PRO 95 HA PRO 95 35.439 0.781 11.018 717 HB2 PRO 95 1HB PRO 95 33.906 3.021 11.286 718 HB3 PRO 95 2HB PRO 95 34.019 2.132 9.734 719 HG2 PRO 95 1HG PRO 95 31.914 1.959 11.862 720 HG3 PRO 95 2HG PRO 95 31.723 2.195 10.096 721 HD2 PRO 95 1HD PRO 95 31.475 -0.226 11.278 722 HD3 PRO 95 2HD PRO 95 32.165 -0.062 9.637 723 H GLU 96 H GLU 96 35.779 2.751 12.620 724 HA GLU 96 HA GLU 96 36.371 3.418 14.641 725 HB2 GLU 96 1HB GLU 96 33.787 3.231 14.924 726 HB3 GLU 96 2HB GLU 96 34.198 1.868 15.957 727 HG2 GLU 96 1HG GLU 96 35.675 3.407 17.271 728 HG3 GLU 96 2HG GLU 96 35.110 4.743 16.270 729 H GLY 97 H GLY 97 36.740 0.547 13.515 730 HA2 GLY 97 1HA GLY 97 38.548 -0.883 13.896 731 HA3 GLY 97 2HA GLY 97 38.839 -0.073 15.446 732 H GLU 98 H GLU 98 39.215 -2.419 16.012 733 HA GLU 98 HA GLU 98 36.772 -4.010 16.415 734 HB2 GLU 98 1HB GLU 98 39.681 -4.467 17.188 735 HB3 GLU 98 2HB GLU 98 38.375 -5.649 17.397 736 HG2 GLU 98 1HG GLU 98 38.020 -5.718 14.964 737 HG3 GLU 98 2HG GLU 98 39.280 -4.496 14.725 738 H VAL 99 H VAL 99 36.186 -1.818 17.582 739 HA VAL 99 HA VAL 99 36.702 -2.125 20.511 740 HB VAL 99 HB VAL 99 36.453 0.490 18.922 741 HG11 VAL 99 1HG1 VAL 99 36.987 0.041 21.920 742 HG12 VAL 99 2HG1 VAL 99 37.065 1.608 21.088 743 HG13 VAL 99 3HG1 VAL 99 35.529 0.756 21.201 744 HG21 VAL 99 1HG2 VAL 99 38.874 0.854 19.607 745 HG22 VAL 99 2HG2 VAL 99 38.925 -0.819 20.204 746 HG23 VAL 99 3HG2 VAL 99 38.661 -0.483 18.484 747 HXT VAL 99 H02 VAL 99 33.420 -1.813 21.001 Start of MODEL 24 1 H2 GLY 1 2H0 GLY 1 3.940 0.676 0.338 2 H GLY 1 1H0 GLY 1 5.516 0.991 0.667 3 HA2 GLY 1 1HA GLY 1 5.392 -1.352 0.622 4 HA3 GLY 1 2HA GLY 1 4.423 -1.296 -0.878 5 H SER 2 H SER 2 5.941 0.703 -2.073 6 HA SER 2 HA SER 2 8.572 -0.612 -2.591 7 HB2 SER 2 1HB SER 2 6.690 0.297 -4.802 8 HB3 SER 2 2HB SER 2 8.193 -0.627 -4.962 9 HG SER 2 HG SER 2 7.084 -2.263 -3.626 10 H MET 3 H MET 3 7.211 2.136 -1.575 11 HA MET 3 HA MET 3 8.484 4.027 -3.435 12 HB2 MET 3 1HB MET 3 6.775 4.261 -0.966 13 HB3 MET 3 2HB MET 3 7.661 5.668 -1.564 14 HG2 MET 3 1HG MET 3 5.728 4.041 -3.267 15 HG3 MET 3 2HG MET 3 5.311 5.525 -2.387 16 HE1 MET 3 1HE MET 3 5.041 5.129 -5.661 17 HE2 MET 3 2HE MET 3 4.506 6.575 -4.761 18 HE3 MET 3 3HE MET 3 5.578 6.755 -6.179 19 H LYS 4 H LYS 4 9.333 2.509 -0.404 20 HA LYS 4 HA LYS 4 11.922 3.954 -0.476 21 HB2 LYS 4 1HB LYS 4 10.025 3.891 1.916 22 HB3 LYS 4 2HB LYS 4 11.760 4.119 2.090 23 HG2 LYS 4 1HG LYS 4 9.941 5.973 0.514 24 HG3 LYS 4 2HG LYS 4 10.471 6.241 2.180 25 HD2 LYS 4 1HD LYS 4 12.846 6.185 1.420 26 HD3 LYS 4 2HD LYS 4 12.273 6.065 -0.255 27 HE2 LYS 4 1HE LYS 4 11.086 8.211 -0.004 28 HE3 LYS 4 2HE LYS 4 11.658 8.327 1.679 29 HZ1 LYS 4 1HZ LYS 4 13.392 8.236 -0.738 30 HZ2 LYS 4 2HZ LYS 4 13.940 8.315 0.813 31 HZ3 LYS 4 3HZ LYS 4 13.085 9.576 0.171 32 H TYR 5 H TYR 5 13.528 2.602 0.045 33 HA TYR 5 HA TYR 5 14.647 0.721 0.459 34 HB2 TYR 5 1HB TYR 5 12.502 0.484 2.560 35 HB3 TYR 5 2HB TYR 5 13.843 -0.628 2.429 36 HD1 TYR 5 HD1 TYR 5 12.876 2.015 4.356 37 HD2 TYR 5 HD2 TYR 5 16.244 0.853 1.920 38 HE1 TYR 5 HE1 TYR 5 14.377 3.522 5.665 39 HE2 TYR 5 HE2 TYR 5 17.720 2.350 3.249 40 HH TYR 5 HH TYR 5 16.501 4.255 6.006 41 H LEU 6 H LEU 6 14.702 -1.672 0.647 42 HA LEU 6 HA LEU 6 13.399 -2.701 -1.725 43 HB2 LEU 6 1HB LEU 6 14.996 -4.139 0.415 44 HB3 LEU 6 2HB LEU 6 14.621 -4.749 -1.178 45 HG LEU 6 HG LEU 6 16.442 -2.399 -0.651 46 HD11 LEU 6 1HD1 LEU 6 17.081 -5.305 -1.325 47 HD12 LEU 6 2HD1 LEU 6 17.351 -4.518 0.240 48 HD13 LEU 6 3HD1 LEU 6 18.269 -3.982 -1.181 49 HD21 LEU 6 1HD2 LEU 6 17.142 -2.741 -2.993 50 HD22 LEU 6 2HD2 LEU 6 15.422 -2.302 -2.877 51 HD23 LEU 6 3HD2 LEU 6 15.888 -3.995 -3.180 52 H ASN 7 H ASN 7 13.058 -3.293 1.762 53 HA ASN 7 HA ASN 7 11.537 -4.408 3.016 54 HB2 ASN 7 1HB ASN 7 9.642 -3.653 0.776 55 HB3 ASN 7 2HB ASN 7 9.171 -4.168 2.402 56 HD21 ASN 7 1HD2 ASN 7 10.078 -0.364 1.671 57 HD22 ASN 7 2HD2 ASN 7 9.846 -1.580 0.439 58 H VAL 8 H VAL 8 13.061 -6.238 1.726 59 HA VAL 8 HA VAL 8 11.141 -8.280 0.723 60 HB VAL 8 HB VAL 8 12.766 -9.130 -0.646 61 HG11 VAL 8 1HG1 VAL 8 14.261 -6.569 -0.010 62 HG12 VAL 8 2HG1 VAL 8 14.310 -7.515 -1.510 63 HG13 VAL 8 3HG1 VAL 8 12.818 -6.666 -1.063 64 HG21 VAL 8 1HG2 VAL 8 14.157 -10.148 1.005 65 HG22 VAL 8 2HG2 VAL 8 15.227 -9.182 -0.023 66 HG23 VAL 8 3HG2 VAL 8 14.762 -8.580 1.561 67 H LEU 9 H LEU 9 11.332 -10.453 1.626 68 HA LEU 9 HA LEU 9 11.978 -10.294 4.516 69 HB2 LEU 9 1HB LEU 9 10.674 -12.504 2.890 70 HB3 LEU 9 2HB LEU 9 10.838 -12.472 4.640 71 HG LEU 9 HG LEU 9 9.184 -10.542 2.972 72 HD11 LEU 9 1HD1 LEU 9 7.270 -11.681 4.010 73 HD12 LEU 9 2HD1 LEU 9 8.367 -12.797 4.857 74 HD13 LEU 9 3HD1 LEU 9 8.262 -12.822 3.075 75 HD21 LEU 9 1HD2 LEU 9 9.981 -9.378 4.967 76 HD22 LEU 9 2HD2 LEU 9 9.501 -10.749 6.001 77 HD23 LEU 9 3HD2 LEU 9 8.266 -9.787 5.157 78 H ALA 10 H ALA 10 13.567 -11.431 5.523 79 HA ALA 10 HA ALA 10 15.095 -13.409 3.873 80 HB1 ALA 10 1HB ALA 10 16.284 -11.247 3.792 81 HB2 ALA 10 2HB ALA 10 16.334 -11.209 5.568 82 HB3 ALA 10 3HB ALA 10 17.208 -12.487 4.669 83 H LYS 11 H LYS 11 15.919 -15.119 5.017 84 HA LYS 11 HA LYS 11 14.919 -15.356 7.822 85 HB2 LYS 11 1HB LYS 11 14.099 -17.044 6.321 86 HB3 LYS 11 2HB LYS 11 15.727 -17.476 5.812 87 HG2 LYS 11 1HG LYS 11 16.226 -18.388 7.965 88 HG3 LYS 11 2HG LYS 11 14.752 -17.733 8.685 89 HD2 LYS 11 1HD LYS 11 14.706 -19.789 6.439 90 HD3 LYS 11 2HD LYS 11 14.760 -20.231 8.158 91 HE2 LYS 11 1HE LYS 11 12.696 -18.842 8.516 92 HE3 LYS 11 2HE LYS 11 12.588 -18.624 6.769 93 HZ1 LYS 11 1HZ LYS 11 11.186 -20.424 7.575 94 HZ2 LYS 11 2HZ LYS 11 12.478 -21.234 8.177 95 HZ3 LYS 11 3HZ LYS 11 12.325 -21.024 6.540 96 H ALA 12 H ALA 12 16.266 -15.695 9.488 97 HA ALA 12 HA ALA 12 19.156 -15.434 9.136 98 HB1 ALA 12 1HB ALA 12 18.004 -14.512 11.097 99 HB2 ALA 12 2HB ALA 12 17.419 -16.117 11.533 100 HB3 ALA 12 3HB ALA 12 19.159 -15.765 11.604 101 H LEU 13 H LEU 13 20.649 -17.038 8.928 102 HA LEU 13 HA LEU 13 19.683 -19.853 9.049 103 HB2 LEU 13 1HB LEU 13 22.344 -18.671 8.250 104 HB3 LEU 13 2HB LEU 13 21.935 -20.374 8.188 105 HG LEU 13 HG LEU 13 21.731 -19.899 6.042 106 HD11 LEU 13 1HD1 LEU 13 19.437 -20.573 6.747 107 HD12 LEU 13 2HD1 LEU 13 19.456 -19.574 5.276 108 HD13 LEU 13 3HD1 LEU 13 18.997 -18.844 6.821 109 HD21 LEU 13 1HD2 LEU 13 22.434 -17.549 6.397 110 HD22 LEU 13 2HD2 LEU 13 20.717 -17.125 6.538 111 HD23 LEU 13 3HD2 LEU 13 21.357 -17.793 5.028 112 H TYR 14 H TYR 14 21.300 -17.533 10.942 113 HA TYR 14 HA TYR 14 22.067 -19.628 12.910 114 HB2 TYR 14 1HB TYR 14 23.903 -17.346 12.086 115 HB3 TYR 14 2HB TYR 14 24.250 -18.645 13.233 116 HD1 TYR 14 HD1 TYR 14 24.646 -21.011 12.388 117 HD2 TYR 14 HD2 TYR 14 24.115 -17.696 9.694 118 HE1 TYR 14 HE1 TYR 14 25.569 -22.372 10.505 119 HE2 TYR 14 HE2 TYR 14 25.037 -19.064 7.829 120 HH TYR 14 HH TYR 14 25.921 -21.038 7.197 121 H ASP 15 H ASP 15 22.436 -18.655 15.054 122 HA ASP 15 HA ASP 15 20.613 -16.495 15.698 123 HB2 ASP 15 1HB ASP 15 22.772 -18.002 17.222 124 HB3 ASP 15 2HB ASP 15 21.943 -16.604 17.917 125 H ASN 16 H ASN 16 21.242 -14.386 16.464 126 HA ASN 16 HA ASN 16 24.084 -13.646 16.015 127 HB2 ASN 16 1HB ASN 16 22.620 -13.017 13.989 128 HB3 ASN 16 2HB ASN 16 21.859 -11.826 15.062 129 HD21 ASN 16 1HD2 ASN 16 24.412 -9.511 14.526 130 HD22 ASN 16 2HD2 ASN 16 22.724 -9.836 14.889 131 H VAL 17 H VAL 17 24.845 -12.390 17.613 132 HA VAL 17 HA VAL 17 22.862 -11.157 19.485 133 HB VAL 17 HB VAL 17 25.743 -12.059 19.998 134 HG11 VAL 17 1HG1 VAL 17 23.710 -10.749 21.858 135 HG12 VAL 17 2HG1 VAL 17 25.263 -11.438 22.372 136 HG13 VAL 17 3HG1 VAL 17 25.234 -10.033 21.286 137 HG21 VAL 17 1HG2 VAL 17 24.703 -13.669 21.588 138 HG22 VAL 17 2HG2 VAL 17 23.085 -13.165 21.046 139 HG23 VAL 17 3HG2 VAL 17 24.199 -13.979 19.924 140 H ALA 18 H ALA 18 22.862 -9.026 19.384 141 HA ALA 18 HA ALA 18 24.519 -7.666 17.460 142 HB1 ALA 18 1HB ALA 18 22.504 -6.669 19.505 143 HB2 ALA 18 2HB ALA 18 23.236 -5.672 18.239 144 HB3 ALA 18 3HB ALA 18 22.175 -7.035 17.803 145 H GLU 19 H GLU 19 26.433 -6.737 17.792 146 HA GLU 19 HA GLU 19 27.345 -6.386 20.633 147 HB2 GLU 19 1HB GLU 19 28.857 -6.538 17.991 148 HB3 GLU 19 2HB GLU 19 29.610 -6.172 19.556 149 HG2 GLU 19 1HG GLU 19 28.936 -8.354 20.423 150 HG3 GLU 19 2HG GLU 19 28.124 -8.741 18.891 151 H SER 20 H SER 20 26.757 -4.806 17.553 152 HA SER 20 HA SER 20 27.704 -2.211 18.624 153 HB2 SER 20 1HB SER 20 26.609 -2.999 15.892 154 HB3 SER 20 2HB SER 20 27.321 -1.429 16.318 155 HG SER 20 HG SER 20 28.894 -2.731 15.363 156 HA PRO 21 HA PRO 21 23.588 -0.995 19.617 157 HB2 PRO 21 1HB PRO 21 23.663 1.716 19.275 158 HB3 PRO 21 2HB PRO 21 24.534 0.895 20.614 159 HG2 PRO 21 1HG PRO 21 25.597 1.781 17.934 160 HG3 PRO 21 2HG PRO 21 26.283 2.073 19.562 161 HD2 PRO 21 1HD PRO 21 27.208 0.104 18.010 162 HD3 PRO 21 2HD PRO 21 27.049 -0.099 19.788 163 H ASP 22 H ASP 22 24.947 -0.579 16.498 164 HA ASP 22 HA ASP 22 22.432 0.317 15.257 165 HB2 ASP 22 1HB ASP 22 25.304 0.272 14.606 166 HB3 ASP 22 2HB ASP 22 24.305 -0.351 13.282 167 H GLU 23 H GLU 23 23.771 -2.634 16.334 168 HA GLU 23 HA GLU 23 22.975 -4.104 13.901 169 HB2 GLU 23 1HB GLU 23 25.208 -4.377 15.007 170 HB3 GLU 23 2HB GLU 23 24.379 -5.082 16.398 171 HG2 GLU 23 1HG GLU 23 23.532 -6.895 14.955 172 HG3 GLU 23 2HG GLU 23 24.371 -6.178 13.578 173 H LEU 24 H LEU 24 21.608 -5.933 13.938 174 HA LEU 24 HA LEU 24 19.578 -5.889 16.140 175 HB2 LEU 24 1HB LEU 24 19.598 -7.181 13.402 176 HB3 LEU 24 2HB LEU 24 18.350 -7.475 14.600 177 HG LEU 24 HG LEU 24 18.958 -4.806 13.298 178 HD11 LEU 24 1HD1 LEU 24 16.694 -6.789 12.923 179 HD12 LEU 24 2HD1 LEU 24 17.936 -6.323 11.733 180 HD13 LEU 24 3HD1 LEU 24 16.722 -5.142 12.254 181 HD21 LEU 24 1HD2 LEU 24 16.866 -5.628 15.334 182 HD22 LEU 24 2HD2 LEU 24 16.803 -4.126 14.394 183 HD23 LEU 24 3HD2 LEU 24 18.147 -4.398 15.517 184 H SER 25 H SER 25 19.042 -7.624 17.341 185 HA SER 25 HA SER 25 20.813 -10.005 17.171 186 HB2 SER 25 1HB SER 25 20.094 -10.410 19.511 187 HB3 SER 25 2HB SER 25 20.913 -8.843 19.340 188 HG SER 25 HG SER 25 18.092 -9.107 19.170 189 H PHE 26 H PHE 26 19.873 -11.910 16.801 190 HA PHE 26 HA PHE 26 16.979 -12.340 17.070 191 HB2 PHE 26 1HB PHE 26 16.700 -12.947 14.655 192 HB3 PHE 26 2HB PHE 26 16.886 -11.226 14.971 193 HD1 PHE 26 HD1 PHE 26 18.820 -14.266 13.905 194 HD2 PHE 26 HD2 PHE 26 18.496 -9.974 13.875 195 HE1 PHE 26 HE1 PHE 26 20.660 -14.143 12.242 196 HE2 PHE 26 HE2 PHE 26 20.315 -9.846 12.213 197 HZ PHE 26 HZ PHE 26 21.402 -11.947 11.374 198 H ARG 27 H ARG 27 16.348 -14.496 16.084 199 HA ARG 27 HA ARG 27 18.389 -16.517 16.951 200 HB2 ARG 27 1HB ARG 27 16.035 -16.207 17.998 201 HB3 ARG 27 2HB ARG 27 15.391 -16.801 16.472 202 HG2 ARG 27 1HG ARG 27 15.371 -18.671 17.837 203 HG3 ARG 27 2HG ARG 27 16.841 -18.888 16.879 204 HD2 ARG 27 1HD ARG 27 18.141 -17.850 18.746 205 HD3 ARG 27 2HD ARG 27 16.643 -17.811 19.702 206 HE ARG 27 HE ARG 27 17.724 -20.362 18.597 207 HH11 ARG 27 1HH1 ARG 27 16.730 -18.491 21.419 208 HH12 ARG 27 2HH1 ARG 27 16.840 -19.869 22.483 209 HH21 ARG 27 1HH2 ARG 27 17.828 -22.071 20.002 210 HH22 ARG 27 2HH2 ARG 27 17.435 -21.860 21.689 211 H LYS 28 H LYS 28 18.675 -18.413 15.688 212 HA LYS 28 HA LYS 28 18.590 -18.285 12.845 213 HB2 LYS 28 1HB LYS 28 19.930 -19.909 14.156 214 HB3 LYS 28 2HB LYS 28 18.447 -20.629 14.782 215 HG2 LYS 28 1HG LYS 28 17.863 -21.517 12.621 216 HG3 LYS 28 2HG LYS 28 19.210 -20.651 11.864 217 HD2 LYS 28 1HD LYS 28 20.795 -21.883 13.337 218 HD3 LYS 28 2HD LYS 28 19.436 -22.803 14.007 219 HE2 LYS 28 1HE LYS 28 19.556 -24.267 12.317 220 HE3 LYS 28 2HE LYS 28 19.379 -22.955 11.121 221 HZ1 LYS 28 1HZ LYS 28 21.729 -22.541 11.282 222 HZ2 LYS 28 2HZ LYS 28 21.523 -24.138 10.938 223 HZ3 LYS 28 3HZ LYS 28 21.924 -23.678 12.459 224 H GLY 29 H GLY 29 16.975 -18.501 11.425 225 HA2 GLY 29 1HA GLY 29 14.979 -19.495 10.640 226 HA3 GLY 29 2HA GLY 29 14.488 -19.850 12.292 227 H ASP 30 H ASP 30 15.444 -16.765 12.707 228 HA ASP 30 HA ASP 30 12.738 -15.757 12.655 229 HB2 ASP 30 1HB ASP 30 15.466 -14.583 13.199 230 HB3 ASP 30 2HB ASP 30 14.153 -13.479 12.818 231 H ILE 31 H ILE 31 11.933 -13.995 11.450 232 HA ILE 31 HA ILE 31 13.170 -13.729 8.745 233 HB ILE 31 HB ILE 31 10.222 -13.448 9.531 234 HG12 ILE 31 1HG1 ILE 31 10.830 -15.792 9.526 235 HG13 ILE 31 2HG1 ILE 31 9.862 -15.428 8.101 236 HG21 ILE 31 1HG2 ILE 31 10.703 -11.896 7.757 237 HG22 ILE 31 2HG2 ILE 31 11.674 -13.091 6.864 238 HG23 ILE 31 3HG2 ILE 31 9.907 -13.294 7.008 239 HD11 ILE 31 1HD1 ILE 31 11.504 -16.855 7.321 240 HD12 ILE 31 2HD1 ILE 31 12.106 -15.258 6.829 241 HD13 ILE 31 3HD1 ILE 31 12.786 -16.077 8.262 242 H MET 32 H MET 32 13.859 -11.727 8.286 243 HA MET 32 HA MET 32 12.632 -9.451 9.798 244 HB2 MET 32 1HB MET 32 14.831 -8.350 9.808 245 HB3 MET 32 2HB MET 32 14.798 -9.829 10.755 246 HG2 MET 32 1HG MET 32 15.716 -10.839 8.440 247 HG3 MET 32 2HG MET 32 16.320 -9.188 8.300 248 HE1 MET 32 1HE MET 32 16.353 -12.565 10.114 249 HE2 MET 32 2HE MET 32 17.387 -12.331 11.540 250 HE3 MET 32 3HE MET 32 15.746 -11.643 11.502 251 H THR 33 H THR 33 12.720 -7.455 8.735 252 HA THR 33 HA THR 33 12.213 -7.821 5.825 253 HB THR 33 HB THR 33 11.814 -5.410 7.663 254 HG1 THR 33 HG1 THR 33 10.429 -7.100 8.201 255 HG21 THR 33 1HG2 THR 33 12.034 -4.714 5.351 256 HG22 THR 33 2HG2 THR 33 10.329 -4.642 5.824 257 HG23 THR 33 3HG2 THR 33 10.903 -5.996 4.828 258 H VAL 34 H VAL 34 13.954 -7.574 4.489 259 HA VAL 34 HA VAL 34 16.263 -5.992 5.359 260 HB VAL 34 HB VAL 34 15.712 -7.202 2.645 261 HG11 VAL 34 1HG1 VAL 34 18.280 -6.216 3.934 262 HG12 VAL 34 2HG1 VAL 34 18.196 -7.094 2.381 263 HG13 VAL 34 3HG1 VAL 34 17.443 -5.498 2.543 264 HG21 VAL 34 1HG2 VAL 34 17.240 -9.023 3.447 265 HG22 VAL 34 2HG2 VAL 34 17.140 -8.326 5.079 266 HG23 VAL 34 3HG2 VAL 34 15.681 -8.972 4.280 267 H LEU 35 H LEU 35 16.434 -3.909 5.128 268 HA LEU 35 HA LEU 35 14.482 -2.490 3.431 269 HB2 LEU 35 1HB LEU 35 16.496 -1.548 5.488 270 HB3 LEU 35 2HB LEU 35 15.340 -0.514 4.659 271 HG LEU 35 HG LEU 35 14.562 -2.833 6.460 272 HD11 LEU 35 1HD1 LEU 35 13.962 -1.031 8.058 273 HD12 LEU 35 2HD1 LEU 35 14.756 0.144 6.986 274 HD13 LEU 35 3HD1 LEU 35 15.696 -1.163 7.747 275 HD21 LEU 35 1HD2 LEU 35 12.341 -1.736 6.455 276 HD22 LEU 35 2HD2 LEU 35 12.808 -2.284 4.837 277 HD23 LEU 35 3HD2 LEU 35 12.921 -0.559 5.255 278 H GLU 36 H GLU 36 18.029 -2.724 3.987 279 HA GLU 36 HA GLU 36 18.385 -2.412 1.085 280 HB2 GLU 36 1HB GLU 36 19.773 -0.518 1.066 281 HB3 GLU 36 2HB GLU 36 18.369 -0.043 2.011 282 HG2 GLU 36 1HG GLU 36 19.590 -0.384 4.040 283 HG3 GLU 36 2HG GLU 36 21.009 -0.840 3.089 284 H ARG 37 H ARG 37 20.903 -2.569 0.661 285 HA ARG 37 HA ARG 37 22.145 -4.321 2.719 286 HB2 ARG 37 1HB ARG 37 22.158 -4.717 -0.289 287 HB3 ARG 37 2HB ARG 37 23.018 -5.695 0.900 288 HG2 ARG 37 1HG ARG 37 20.786 -6.308 1.882 289 HG3 ARG 37 2HG ARG 37 20.033 -5.475 0.515 290 HD2 ARG 37 1HD ARG 37 21.962 -7.801 0.297 291 HD3 ARG 37 2HD ARG 37 20.203 -7.912 0.176 292 HE ARG 37 HE ARG 37 20.246 -6.883 -1.930 293 HH11 ARG 37 1HH1 ARG 37 23.560 -7.104 -0.679 294 HH12 ARG 37 2HH1 ARG 37 24.260 -6.768 -2.237 295 HH21 ARG 37 1HH2 ARG 37 21.231 -6.493 -3.869 296 HH22 ARG 37 2HH2 ARG 37 22.971 -6.452 -3.998 297 H ASP 38 H ASP 38 24.416 -4.103 2.753 298 HA ASP 38 HA ASP 38 26.365 -3.004 2.643 299 HB2 ASP 38 1HB ASP 38 25.539 -2.180 -0.146 300 HB3 ASP 38 2HB ASP 38 27.180 -2.264 0.503 301 H THR 39 H THR 39 24.200 -1.943 3.848 302 HA THR 39 HA THR 39 23.579 0.787 3.278 303 HB THR 39 HB THR 39 22.132 -0.683 4.629 304 HG1 THR 39 HG1 THR 39 21.724 1.392 5.110 305 HG21 THR 39 1HG2 THR 39 24.256 -0.558 6.740 306 HG22 THR 39 2HG2 THR 39 23.828 -1.986 5.769 307 HG23 THR 39 3HG2 THR 39 22.637 -1.285 6.879 308 H GLN 40 H GLN 40 24.248 2.669 4.209 309 HA GLN 40 HA GLN 40 25.713 4.206 4.998 310 HB2 GLN 40 1HB GLN 40 26.800 2.233 6.986 311 HB3 GLN 40 2HB GLN 40 26.640 3.985 7.130 312 HG2 GLN 40 1HG GLN 40 24.142 3.640 7.131 313 HG3 GLN 40 2HG GLN 40 24.430 1.909 7.207 314 HE21 GLN 40 1HE2 GLN 40 23.947 2.838 10.705 315 HE22 GLN 40 2HE2 GLN 40 23.004 2.710 9.229 316 H GLY 41 H GLY 41 26.674 1.731 3.217 317 HA2 GLY 41 1HA GLY 41 28.613 1.635 1.865 318 HA3 GLY 41 2HA GLY 41 29.431 2.777 2.949 319 H LEU 42 H LEU 42 27.771 0.319 4.655 320 HA LEU 42 HA LEU 42 30.335 -0.972 5.341 321 HB2 LEU 42 1HB LEU 42 27.507 -1.411 6.371 322 HB3 LEU 42 2HB LEU 42 28.981 -2.033 7.099 323 HG LEU 42 HG LEU 42 28.349 0.912 6.868 324 HD11 LEU 42 1HD1 LEU 42 27.620 0.740 9.245 325 HD12 LEU 42 2HD1 LEU 42 27.766 -1.037 9.140 326 HD13 LEU 42 3HD1 LEU 42 26.572 -0.167 8.136 327 HD21 LEU 42 1HD2 LEU 42 30.224 -0.695 8.619 328 HD22 LEU 42 2HD2 LEU 42 29.973 1.064 8.695 329 HD23 LEU 42 3HD2 LEU 42 30.692 0.337 7.238 330 H ASP 43 H ASP 43 30.890 -2.313 3.698 331 HA ASP 43 HA ASP 43 28.928 -3.682 2.147 332 HB2 ASP 43 1HB ASP 43 30.730 -4.753 1.075 333 HB3 ASP 43 2HB ASP 43 31.239 -3.097 1.426 334 H GLY 44 H GLY 44 28.109 -5.683 2.182 335 HA2 GLY 44 1HA GLY 44 27.754 -7.839 3.011 336 HA3 GLY 44 2HA GLY 44 29.087 -7.621 4.153 337 H TRP 45 H TRP 45 27.559 -4.922 4.932 338 HA TRP 45 HA TRP 45 25.877 -6.282 6.961 339 HB2 TRP 45 1HB TRP 45 26.944 -3.496 6.526 340 HB3 TRP 45 2HB TRP 45 25.714 -3.811 7.726 341 HD1 TRP 45 HD1 TRP 45 29.423 -3.951 7.223 342 HE1 TRP 45 HE1 TRP 45 30.638 -4.890 9.249 343 HE3 TRP 45 HE3 TRP 45 25.337 -5.827 9.624 344 HZ2 TRP 45 HZ2 TRP 45 29.900 -6.302 11.641 345 HZ3 TRP 45 HZ3 TRP 45 25.646 -6.961 11.820 346 HH2 TRP 45 HH2 TRP 45 27.890 -7.190 12.813 347 H TRP 46 H TRP 46 23.704 -6.346 6.855 348 HA TRP 46 HA TRP 46 22.404 -4.777 4.656 349 HB2 TRP 46 1HB TRP 46 21.613 -7.421 5.911 350 HB3 TRP 46 2HB TRP 46 20.667 -6.558 4.692 351 HD1 TRP 46 HD1 TRP 46 24.100 -6.112 3.556 352 HE1 TRP 46 HE1 TRP 46 24.871 -7.799 1.837 353 HE3 TRP 46 HE3 TRP 46 20.305 -9.510 4.181 354 HZ2 TRP 46 HZ2 TRP 46 24.003 -10.358 0.887 355 HZ3 TRP 46 HZ3 TRP 46 20.364 -11.604 2.829 356 HH2 TRP 46 HH2 TRP 46 22.185 -12.019 1.198 357 H LEU 47 H LEU 47 20.981 -3.248 5.241 358 HA LEU 47 HA LEU 47 20.295 -2.914 8.064 359 HB2 LEU 47 1HB LEU 47 20.580 -0.969 6.531 360 HB3 LEU 47 2HB LEU 47 19.257 -1.576 5.549 361 HG LEU 47 HG LEU 47 17.686 -1.165 7.356 362 HD11 LEU 47 1HD1 LEU 47 20.089 -0.127 8.857 363 HD12 LEU 47 2HD1 LEU 47 19.025 -1.484 9.308 364 HD13 LEU 47 3HD1 LEU 47 18.393 0.170 9.329 365 HD21 LEU 47 1HD2 LEU 47 18.124 0.602 5.713 366 HD22 LEU 47 2HD2 LEU 47 19.448 1.230 6.726 367 HD23 LEU 47 3HD2 LEU 47 17.769 1.299 7.307 368 H CYS 48 H CYS 48 18.702 -3.987 9.038 369 HA CYS 48 HA CYS 48 16.338 -4.721 7.371 370 HB2 CYS 48 1HB CYS 48 17.552 -6.571 9.458 371 HB3 CYS 48 2HB CYS 48 16.248 -6.915 8.319 372 HG CYS 48 HG CYS 48 19.419 -6.266 7.641 373 H SER 49 H SER 49 14.523 -5.454 8.810 374 HA SER 49 HA SER 49 14.550 -3.976 11.394 375 HB2 SER 49 1HB SER 49 12.887 -2.637 10.767 376 HB3 SER 49 2HB SER 49 13.182 -3.158 9.119 377 HG SER 49 HG SER 49 11.016 -3.492 9.639 378 H LEU 50 H LEU 50 13.838 -5.068 13.071 379 HA LEU 50 HA LEU 50 12.139 -7.478 12.710 380 HB2 LEU 50 1HB LEU 50 14.487 -8.250 12.501 381 HB3 LEU 50 2HB LEU 50 14.872 -7.484 14.042 382 HG LEU 50 HG LEU 50 12.682 -9.211 14.539 383 HD11 LEU 50 1HD1 LEU 50 13.446 -11.345 13.812 384 HD12 LEU 50 2HD1 LEU 50 14.875 -10.607 13.045 385 HD13 LEU 50 3HD1 LEU 50 13.244 -10.279 12.402 386 HD21 LEU 50 1HD2 LEU 50 14.407 -8.621 16.144 387 HD22 LEU 50 2HD2 LEU 50 15.646 -9.423 15.152 388 HD23 LEU 50 3HD2 LEU 50 14.361 -10.381 15.923 389 H HIS 51 H HIS 51 10.778 -7.657 14.462 390 HA HIS 51 HA HIS 51 9.678 -7.081 16.387 391 HB2 HIS 51 1HB HIS 51 12.487 -6.683 17.464 392 HB3 HIS 51 2HB HIS 51 11.024 -6.787 18.446 393 HD1 HIS 51 HD1 HIS 51 13.147 -8.855 19.041 394 HD2 HIS 51 HD2 HIS 51 10.190 -9.437 16.167 395 HE1 HIS 51 HE1 HIS 51 12.905 -11.349 18.733 396 H GLY 52 H GLY 52 10.179 -4.897 14.458 397 HA2 GLY 52 1HA GLY 52 9.579 -2.655 14.418 398 HA3 GLY 52 2HA GLY 52 9.295 -2.728 16.163 399 H ARG 53 H ARG 53 12.407 -3.809 15.175 400 HA ARG 53 HA ARG 53 13.611 -1.162 15.901 401 HB2 ARG 53 1HB ARG 53 13.722 -3.474 17.376 402 HB3 ARG 53 2HB ARG 53 15.084 -3.751 16.301 403 HG2 ARG 53 1HG ARG 53 14.811 -1.201 17.936 404 HG3 ARG 53 2HG ARG 53 15.527 -2.681 18.588 405 HD2 ARG 53 1HD ARG 53 17.082 -2.641 16.537 406 HD3 ARG 53 2HD ARG 53 16.525 -0.966 16.315 407 HE ARG 53 HE ARG 53 17.327 -1.364 19.019 408 HH11 ARG 53 1HH1 ARG 53 18.830 -1.061 15.815 409 HH12 ARG 53 2HH1 ARG 53 20.350 -0.530 16.512 410 HH21 ARG 53 1HH2 ARG 53 19.304 -0.679 19.774 411 HH22 ARG 53 2HH2 ARG 53 20.594 -0.312 18.646 412 H GLN 54 H GLN 54 15.312 -0.547 14.588 413 HA GLN 54 HA GLN 54 15.672 -2.153 12.098 414 HB2 GLN 54 1HB GLN 54 15.131 0.634 12.637 415 HB3 GLN 54 2HB GLN 54 16.701 0.475 11.833 416 HG2 GLN 54 1HG GLN 54 15.664 -0.761 10.023 417 HG3 GLN 54 2HG GLN 54 14.101 -0.707 10.859 418 HE21 GLN 54 1HE2 GLN 54 15.543 2.900 9.456 419 HE22 GLN 54 2HE2 GLN 54 16.644 1.752 10.176 420 H GLY 55 H GLY 55 17.803 -2.554 11.374 421 HA2 GLY 55 1HA GLY 55 20.068 -1.209 12.414 422 HA3 GLY 55 2HA GLY 55 19.837 -2.682 13.371 423 H ILE 56 H ILE 56 22.163 -2.452 12.085 424 HA ILE 56 HA ILE 56 21.994 -3.706 9.434 425 HB ILE 56 HB ILE 56 24.455 -3.699 9.430 426 HG12 ILE 56 1HG1 ILE 56 24.197 -2.728 12.330 427 HG13 ILE 56 2HG1 ILE 56 24.772 -4.315 11.837 428 HG21 ILE 56 1HG2 ILE 56 23.064 -1.568 9.043 429 HG22 ILE 56 2HG2 ILE 56 23.552 -1.040 10.672 430 HG23 ILE 56 3HG2 ILE 56 24.778 -1.332 9.411 431 HD11 ILE 56 1HD1 ILE 56 26.651 -3.081 10.585 432 HD12 ILE 56 2HD1 ILE 56 26.139 -1.628 11.484 433 HD13 ILE 56 3HD1 ILE 56 26.712 -3.062 12.358 434 H VAL 57 H VAL 57 22.840 -5.745 8.925 435 HA VAL 57 HA VAL 57 23.055 -7.710 11.157 436 HB VAL 57 HB VAL 57 21.325 -8.016 8.690 437 HG11 VAL 57 1HG1 VAL 57 20.576 -10.125 9.752 438 HG12 VAL 57 2HG1 VAL 57 22.231 -10.108 9.116 439 HG13 VAL 57 3HG1 VAL 57 21.938 -9.934 10.860 440 HG21 VAL 57 1HG2 VAL 57 20.566 -7.681 11.574 441 HG22 VAL 57 2HG2 VAL 57 20.174 -6.582 10.242 442 HG23 VAL 57 3HG2 VAL 57 19.421 -8.191 10.315 443 HA PRO 58 HA PRO 58 26.286 -8.773 8.306 444 HB2 PRO 58 1HB PRO 58 26.997 -11.290 9.190 445 HB3 PRO 58 2HB PRO 58 27.419 -9.792 10.080 446 HG2 PRO 58 1HG PRO 58 25.155 -11.696 10.568 447 HG3 PRO 58 2HG PRO 58 26.323 -10.971 11.733 448 HD2 PRO 58 1HD PRO 58 23.815 -9.991 11.330 449 HD3 PRO 58 2HD PRO 58 25.201 -8.947 11.756 450 H GLY 59 H GLY 59 25.748 -9.212 6.225 451 HA2 GLY 59 1HA GLY 59 23.530 -10.786 5.427 452 HA3 GLY 59 2HA GLY 59 24.877 -10.286 4.394 453 H ASN 60 H ASN 60 26.815 -11.702 6.192 454 HA ASN 60 HA ASN 60 26.919 -14.185 4.816 455 HB2 ASN 60 1HB ASN 60 28.627 -12.726 6.379 456 HB3 ASN 60 2HB ASN 60 28.230 -14.059 7.478 457 HD21 ASN 60 1HD2 ASN 60 29.545 -16.501 5.046 458 HD22 ASN 60 2HD2 ASN 60 28.038 -16.224 5.897 459 H ARG 61 H ARG 61 24.938 -13.279 7.504 460 HA ARG 61 HA ARG 61 24.502 -16.175 8.166 461 HB2 ARG 61 1HB ARG 61 24.086 -13.716 9.903 462 HB3 ARG 61 2HB ARG 61 23.709 -15.383 10.375 463 HG2 ARG 61 1HG ARG 61 26.087 -15.998 10.170 464 HG3 ARG 61 2HG ARG 61 26.492 -14.345 9.680 465 HD2 ARG 61 1HD ARG 61 25.718 -13.482 11.847 466 HD3 ARG 61 2HD ARG 61 25.235 -15.117 12.343 467 HE ARG 61 HE ARG 61 27.962 -15.239 11.570 468 HH11 ARG 61 1HH1 ARG 61 26.105 -13.644 14.152 469 HH12 ARG 61 2HH1 ARG 61 27.448 -13.747 15.259 470 HH21 ARG 61 1HH2 ARG 61 29.570 -15.309 13.023 471 HH22 ARG 61 2HH2 ARG 61 29.374 -14.640 14.632 472 H LEU 62 H LEU 62 23.239 -13.993 6.197 473 HA LEU 62 HA LEU 62 20.413 -14.654 6.944 474 HB2 LEU 62 1HB LEU 62 21.719 -12.145 6.014 475 HB3 LEU 62 2HB LEU 62 20.178 -12.541 5.262 476 HG LEU 62 HG LEU 62 20.642 -12.164 8.224 477 HD11 LEU 62 1HD1 LEU 62 19.275 -10.150 7.900 478 HD12 LEU 62 2HD1 LEU 62 19.128 -10.510 6.160 479 HD13 LEU 62 3HD1 LEU 62 20.712 -10.093 6.864 480 HD21 LEU 62 1HD2 LEU 62 18.883 -13.767 7.991 481 HD22 LEU 62 2HD2 LEU 62 18.101 -12.816 6.713 482 HD23 LEU 62 3HD2 LEU 62 18.150 -12.216 8.385 483 H LYS 63 H LYS 63 18.920 -15.000 5.353 484 HA LYS 63 HA LYS 63 20.023 -15.397 2.601 485 HB2 LYS 63 1HB LYS 63 19.776 -17.575 3.732 486 HB3 LYS 63 2HB LYS 63 18.077 -17.245 4.039 487 HG2 LYS 63 1HG LYS 63 17.592 -17.253 1.663 488 HG3 LYS 63 2HG LYS 63 19.310 -17.425 1.260 489 HD2 LYS 63 1HD LYS 63 17.725 -19.459 2.863 490 HD3 LYS 63 2HD LYS 63 18.010 -19.557 1.113 491 HE2 LYS 63 1HE LYS 63 20.471 -19.510 1.539 492 HE3 LYS 63 2HE LYS 63 20.144 -19.507 3.281 493 HZ1 LYS 63 1HZ LYS 63 19.422 -21.664 1.402 494 HZ2 LYS 63 2HZ LYS 63 19.072 -21.660 3.018 495 HZ3 LYS 63 3HZ LYS 63 20.642 -21.718 2.510 496 H ILE 64 H ILE 64 19.014 -14.149 1.228 497 HA ILE 64 HA ILE 64 16.512 -12.839 1.818 498 HB ILE 64 HB ILE 64 17.873 -13.265 -0.885 499 HG12 ILE 64 1HG1 ILE 64 19.405 -12.166 0.731 500 HG13 ILE 64 2HG1 ILE 64 18.938 -11.113 -0.594 501 HG21 ILE 64 1HG2 ILE 64 15.640 -12.526 -1.226 502 HG22 ILE 64 2HG2 ILE 64 15.739 -11.378 0.115 503 HG23 ILE 64 3HG2 ILE 64 16.655 -11.070 -1.377 504 HD11 ILE 64 1HD1 ILE 64 18.971 -9.823 1.466 505 HD12 ILE 64 2HD1 ILE 64 17.303 -9.957 0.923 506 HD13 ILE 64 3HD1 ILE 64 17.879 -10.975 2.257 507 H LEU 65 H LEU 65 14.457 -13.566 1.517 508 HA LEU 65 HA LEU 65 14.165 -16.234 0.219 509 HB2 LEU 65 1HB LEU 65 12.206 -14.679 1.929 510 HB3 LEU 65 2HB LEU 65 12.028 -16.337 1.364 511 HG LEU 65 HG LEU 65 14.043 -15.312 3.388 512 HD11 LEU 65 1HD1 LEU 65 11.601 -17.102 3.620 513 HD12 LEU 65 2HD1 LEU 65 11.727 -15.411 4.171 514 HD13 LEU 65 3HD1 LEU 65 12.698 -16.682 4.938 515 HD21 LEU 65 1HD2 LEU 65 14.603 -17.735 3.746 516 HD22 LEU 65 2HD2 LEU 65 15.097 -17.149 2.146 517 HD23 LEU 65 3HD2 LEU 65 13.629 -18.140 2.316 518 H VAL 66 H VAL 66 14.460 -15.136 -1.902 519 HA VAL 66 HA VAL 66 12.535 -13.191 -2.812 520 HB VAL 66 HB VAL 66 13.418 -14.161 -5.158 521 HG11 VAL 66 1HG1 VAL 66 15.306 -12.601 -5.038 522 HG12 VAL 66 2HG1 VAL 66 13.854 -11.917 -4.273 523 HG13 VAL 66 3HG1 VAL 66 15.177 -12.556 -3.269 524 HG21 VAL 66 1HG2 VAL 66 14.546 -16.154 -4.035 525 HG22 VAL 66 2HG2 VAL 66 15.610 -15.167 -5.046 526 HG23 VAL 66 3HG2 VAL 66 15.694 -15.009 -3.283 527 H GLY 67 H GLY 67 12.154 -16.567 -2.370 528 HA2 GLY 67 1HA GLY 67 10.282 -17.872 -2.848 529 HA3 GLY 67 2HA GLY 67 9.587 -16.503 -3.736 530 H MET 68 H MET 68 11.628 -16.069 -5.597 531 HA MET 68 HA MET 68 10.939 -17.693 -7.731 532 HB2 MET 68 1HB MET 68 12.308 -15.467 -7.475 533 HB3 MET 68 2HB MET 68 13.719 -16.523 -7.505 534 HG2 MET 68 1HG MET 68 11.598 -16.606 -9.674 535 HG3 MET 68 2HG MET 68 12.888 -15.404 -9.704 536 HE1 MET 68 1HE MET 68 16.100 -17.459 -10.413 537 HE2 MET 68 2HE MET 68 15.367 -15.839 -10.308 538 HE3 MET 68 3HE MET 68 15.561 -16.836 -8.829 539 H TYR 69 H TYR 69 13.411 -18.385 -5.298 540 HA TYR 69 HA TYR 69 14.261 -20.788 -6.836 541 HB2 TYR 69 1HB TYR 69 15.473 -19.301 -4.493 542 HB3 TYR 69 2HB TYR 69 15.991 -20.927 -4.955 543 HD1 TYR 69 HD1 TYR 69 16.737 -21.306 -7.415 544 HD2 TYR 69 HD2 TYR 69 16.504 -17.431 -5.563 545 HE1 TYR 69 HE1 TYR 69 18.330 -20.401 -9.098 546 HE2 TYR 69 HE2 TYR 69 18.108 -16.537 -7.251 547 HH TYR 69 HH TYR 69 19.440 -17.023 -9.060 548 H ASP 70 H ASP 70 12.064 -21.734 -6.332 549 HA ASP 70 HA ASP 70 12.148 -22.943 -3.596 550 HB2 ASP 70 1HB ASP 70 10.096 -21.604 -4.196 551 HB3 ASP 70 2HB ASP 70 9.735 -22.833 -5.420 552 H LYS 71 H LYS 71 13.397 -24.691 -3.836 553 HA LYS 71 HA LYS 71 12.461 -26.795 -5.730 554 HB2 LYS 71 1HB LYS 71 14.393 -25.427 -6.684 555 HB3 LYS 71 2HB LYS 71 15.409 -26.151 -5.427 556 HG2 LYS 71 1HG LYS 71 14.919 -28.409 -6.323 557 HG3 LYS 71 2HG LYS 71 13.835 -27.721 -7.531 558 HD2 LYS 71 1HD LYS 71 16.757 -26.959 -7.356 559 HD3 LYS 71 2HD LYS 71 16.198 -28.393 -8.246 560 HE2 LYS 71 1HE LYS 71 14.659 -26.916 -9.565 561 HE3 LYS 71 2HE LYS 71 15.389 -25.508 -8.776 562 HZ1 LYS 71 1HZ LYS 71 17.524 -26.208 -9.700 563 HZ2 LYS 71 2HZ LYS 71 16.424 -25.965 -10.901 564 HZ3 LYS 71 3HZ LYS 71 16.824 -27.498 -10.433 565 H LYS 72 H LYS 72 13.013 -25.977 -2.609 566 HA LYS 72 HA LYS 72 13.420 -28.832 -1.868 567 HB2 LYS 72 1HB LYS 72 14.786 -26.448 -0.553 568 HB3 LYS 72 2HB LYS 72 14.620 -28.023 0.202 569 HG2 LYS 72 1HG LYS 72 15.868 -29.026 -1.753 570 HG3 LYS 72 2HG LYS 72 16.238 -27.372 -2.286 571 HD2 LYS 72 1HD LYS 72 17.357 -26.922 -0.118 572 HD3 LYS 72 2HD LYS 72 16.951 -28.568 0.431 573 HE2 LYS 72 1HE LYS 72 18.259 -29.495 -1.490 574 HE3 LYS 72 2HE LYS 72 18.748 -27.842 -1.919 575 HZ1 LYS 72 1HZ LYS 72 19.351 -29.218 0.646 576 HZ2 LYS 72 2HZ LYS 72 19.809 -27.674 0.268 577 HZ3 LYS 72 3HZ LYS 72 20.424 -28.953 -0.570 578 HA PRO 73 HA PRO 73 9.669 -27.645 -0.116 579 HB2 PRO 73 1HB PRO 73 9.406 -29.140 2.178 580 HB3 PRO 73 2HB PRO 73 9.277 -29.838 0.530 581 HG2 PRO 73 1HG PRO 73 11.671 -29.756 2.361 582 HG3 PRO 73 2HG PRO 73 10.978 -31.156 1.480 583 HD2 PRO 73 1HD PRO 73 13.091 -29.820 0.506 584 HD3 PRO 73 2HD PRO 73 11.793 -30.406 -0.591 585 H ALA 74 H ALA 74 8.717 -26.267 1.394 586 HA ALA 74 HA ALA 74 10.538 -24.431 2.662 587 HB1 ALA 74 1HB ALA 74 8.465 -23.743 1.498 588 HB2 ALA 74 2HB ALA 74 7.496 -24.564 2.745 589 HB3 ALA 74 3HB ALA 74 8.498 -23.170 3.183 590 H GLY 75 H GLY 75 10.806 -26.969 3.895 591 HA2 GLY 75 1HA GLY 75 11.411 -27.103 6.290 592 HA3 GLY 75 2HA GLY 75 9.844 -26.356 6.669 593 H SER 76 H SER 76 11.354 -29.161 6.967 594 HA SER 76 HA SER 76 8.885 -30.730 6.935 595 HB2 SER 76 1HB SER 76 11.293 -31.529 5.226 596 HB3 SER 76 2HB SER 76 9.874 -32.546 5.566 597 HG SER 76 HG SER 76 8.995 -30.209 4.648 598 H GLY 77 H GLY 77 9.172 -32.579 8.329 599 HA2 GLY 77 1HA GLY 77 10.275 -33.911 9.883 600 HA3 GLY 77 2HA GLY 77 11.823 -33.256 9.321 601 H GLY 78 H GLY 78 12.305 -33.357 11.689 602 HA2 GLY 78 1HA GLY 78 11.022 -31.205 13.265 603 HA3 GLY 78 2HA GLY 78 12.207 -32.399 13.860 604 H SER 79 H SER 79 12.275 -29.468 14.161 605 HA SER 79 HA SER 79 14.131 -28.339 12.280 606 HB2 SER 79 1HB SER 79 12.622 -27.011 13.756 607 HB3 SER 79 2HB SER 79 13.587 -27.507 15.160 608 HG SER 79 HG SER 79 15.421 -26.592 13.780 609 H GLY 80 H GLY 80 14.592 -30.432 15.068 610 HA2 GLY 80 1HA GLY 80 17.220 -31.063 14.537 611 HA3 GLY 80 2HA GLY 80 17.315 -29.618 15.571 612 H SER 81 H SER 81 18.465 -31.481 16.836 613 HA SER 81 HA SER 81 16.624 -32.212 18.992 614 HB2 SER 81 1HB SER 81 16.486 -34.197 17.468 615 HB3 SER 81 2HB SER 81 18.253 -34.331 17.503 616 HG SER 81 HG SER 81 17.258 -35.723 19.017 617 H GLY 82 H GLY 82 17.866 -32.553 20.948 618 HA2 GLY 82 1HA GLY 82 19.739 -32.303 22.300 619 HA3 GLY 82 2HA GLY 82 20.740 -32.635 20.880 620 H LEU 83 H LEU 83 22.246 -31.011 21.405 621 HA LEU 83 HA LEU 83 21.316 -28.239 21.716 622 HB2 LEU 83 1HB LEU 83 24.095 -29.471 21.606 623 HB3 LEU 83 2HB LEU 83 23.759 -27.770 21.931 624 HG LEU 83 HG LEU 83 22.784 -30.041 23.693 625 HD11 LEU 83 1HD1 LEU 83 24.627 -29.433 25.206 626 HD12 LEU 83 2HD1 LEU 83 25.207 -28.231 24.026 627 HD13 LEU 83 3HD1 LEU 83 25.249 -29.965 23.624 628 HD21 LEU 83 1HD2 LEU 83 22.935 -27.031 24.126 629 HD22 LEU 83 2HD2 LEU 83 22.486 -28.227 25.362 630 HD23 LEU 83 3HD2 LEU 83 21.451 -27.993 23.940 631 H THR 84 H THR 84 21.880 -30.218 19.098 632 HA THR 84 HA THR 84 22.536 -29.930 16.913 633 HB THR 84 HB THR 84 21.462 -27.950 15.776 634 HG1 THR 84 HG1 THR 84 21.566 -26.763 17.949 635 HG21 THR 84 1HG2 THR 84 20.296 -30.130 16.147 636 HG22 THR 84 2HG2 THR 84 19.209 -28.720 16.099 637 HG23 THR 84 3HG2 THR 84 19.621 -29.458 17.663 638 H ASP 85 H ASP 85 24.782 -29.758 17.608 639 HA ASP 85 HA ASP 85 26.178 -27.310 17.834 640 HB2 ASP 85 1HB ASP 85 27.142 -30.014 16.856 641 HB3 ASP 85 2HB ASP 85 28.173 -28.696 17.444 642 H GLU 86 H GLU 86 25.780 -25.805 16.216 643 HA GLU 86 HA GLU 86 27.049 -26.385 13.610 644 HB2 GLU 86 1HB GLU 86 24.550 -26.681 13.422 645 HB3 GLU 86 2HB GLU 86 24.363 -24.982 13.883 646 HG2 GLU 86 1HG GLU 86 25.691 -24.308 11.883 647 HG3 GLU 86 2HG GLU 86 25.816 -26.014 11.418 648 H LEU 87 H LEU 87 28.617 -24.929 13.413 649 HA LEU 87 HA LEU 87 28.548 -22.483 15.022 650 HB2 LEU 87 1HB LEU 87 30.660 -23.588 13.147 651 HB3 LEU 87 2HB LEU 87 30.857 -22.170 14.171 652 HG LEU 87 HG LEU 87 30.408 -25.001 15.189 653 HD11 LEU 87 1HD1 LEU 87 32.916 -23.286 15.079 654 HD12 LEU 87 2HD1 LEU 87 32.573 -24.703 14.066 655 HD13 LEU 87 3HD1 LEU 87 32.780 -24.899 15.815 656 HD21 LEU 87 1HD2 LEU 87 31.078 -22.412 16.656 657 HD22 LEU 87 2HD2 LEU 87 31.110 -24.032 17.388 658 HD23 LEU 87 3HD2 LEU 87 29.578 -23.351 16.806 659 H ALA 88 H ALA 88 28.437 -20.426 14.328 660 HA ALA 88 HA ALA 88 27.373 -19.990 11.646 661 HB1 ALA 88 1HB ALA 88 27.973 -17.984 13.876 662 HB2 ALA 88 2HB ALA 88 26.949 -17.716 12.447 663 HB3 ALA 88 3HB ALA 88 26.446 -18.867 13.702 664 HA PRO 89 HA PRO 89 31.275 -18.585 10.017 665 HB2 PRO 89 1HB PRO 89 30.491 -16.974 7.962 666 HB3 PRO 89 2HB PRO 89 30.247 -18.749 7.899 667 HG2 PRO 89 1HG PRO 89 28.303 -16.603 8.698 668 HG3 PRO 89 2HG PRO 89 28.100 -17.937 7.517 669 HD2 PRO 89 1HD PRO 89 27.187 -18.104 10.057 670 HD3 PRO 89 2HD PRO 89 27.869 -19.535 9.198 671 HA PRO 90 HA PRO 90 32.076 -14.698 11.981 672 HB2 PRO 90 1HB PRO 90 33.572 -13.823 9.526 673 HB3 PRO 90 2HB PRO 90 34.108 -13.850 11.229 674 HG2 PRO 90 1HG PRO 90 35.021 -15.656 9.552 675 HG3 PRO 90 2HG PRO 90 34.458 -16.163 11.184 676 HD2 PRO 90 1HD PRO 90 32.977 -16.305 8.545 677 HD3 PRO 90 2HD PRO 90 33.201 -17.583 9.798 678 H LYS 91 H LYS 91 31.649 -12.399 11.961 679 HA LYS 91 HA LYS 91 29.727 -11.541 9.840 680 HB2 LYS 91 1HB LYS 91 29.315 -9.602 11.347 681 HB3 LYS 91 2HB LYS 91 28.927 -11.137 12.120 682 HG2 LYS 91 1HG LYS 91 30.977 -11.043 13.445 683 HG3 LYS 91 2HG LYS 91 31.514 -9.595 12.573 684 HD2 LYS 91 1HD LYS 91 30.662 -8.915 14.708 685 HD3 LYS 91 2HD LYS 91 29.551 -8.343 13.466 686 HE2 LYS 91 1HE LYS 91 27.979 -10.172 13.977 687 HE3 LYS 91 2HE LYS 91 29.123 -10.840 15.160 688 HZ1 LYS 91 1HZ LYS 91 27.788 -8.202 15.350 689 HZ2 LYS 91 2HZ LYS 91 28.941 -8.763 16.406 690 HZ3 LYS 91 3HZ LYS 91 27.474 -9.514 16.277 691 HA PRO 92 HA PRO 92 33.097 -9.257 8.101 692 HB2 PRO 92 1HB PRO 92 31.892 -7.064 6.989 693 HB3 PRO 92 2HB PRO 92 31.708 -8.713 6.309 694 HG2 PRO 92 1HG PRO 92 29.869 -7.216 8.080 695 HG3 PRO 92 2HG PRO 92 29.517 -8.130 6.596 696 HD2 PRO 92 1HD PRO 92 29.130 -9.117 9.090 697 HD3 PRO 92 2HD PRO 92 29.616 -10.162 7.709 698 HA PRO 93 HA PRO 93 34.286 -6.300 11.141 699 HB2 PRO 93 1HB PRO 93 36.066 -4.672 9.887 700 HB3 PRO 93 2HB PRO 93 36.390 -6.418 10.131 701 HG2 PRO 93 1HG PRO 93 35.259 -5.025 7.713 702 HG3 PRO 93 2HG PRO 93 36.661 -6.138 7.818 703 HD2 PRO 93 1HD PRO 93 34.216 -7.022 7.087 704 HD3 PRO 93 2HD PRO 93 35.297 -8.015 8.129 705 H LEU 94 H LEU 94 34.663 -3.806 11.519 706 HA LEU 94 HA LEU 94 32.645 -2.204 10.077 707 HB2 LEU 94 1HB LEU 94 32.829 -2.740 13.048 708 HB3 LEU 94 2HB LEU 94 32.183 -1.213 12.462 709 HG LEU 94 HG LEU 94 31.036 -3.968 11.851 710 HD11 LEU 94 1HD1 LEU 94 29.990 -1.654 13.523 711 HD12 LEU 94 2HD1 LEU 94 30.695 -3.157 14.170 712 HD13 LEU 94 3HD1 LEU 94 29.180 -3.218 13.241 713 HD21 LEU 94 1HD2 LEU 94 29.120 -2.728 10.895 714 HD22 LEU 94 2HD2 LEU 94 30.603 -2.447 9.975 715 HD23 LEU 94 3HD2 LEU 94 30.011 -1.202 11.098 716 HA PRO 95 HA PRO 95 35.797 0.875 10.023 717 HB2 PRO 95 1HB PRO 95 34.372 3.202 10.042 718 HB3 PRO 95 2HB PRO 95 34.250 2.033 8.699 719 HG2 PRO 95 1HG PRO 95 32.477 2.319 11.098 720 HG3 PRO 95 2HG PRO 95 32.038 2.330 9.365 721 HD2 PRO 95 1HD PRO 95 31.844 0.084 10.814 722 HD3 PRO 95 2HD PRO 95 32.449 0.025 9.127 723 H GLU 96 H GLU 96 36.156 3.282 11.086 724 HA GLU 96 HA GLU 96 36.949 4.437 12.811 725 HB2 GLU 96 1HB GLU 96 34.482 4.034 13.550 726 HB3 GLU 96 2HB GLU 96 35.214 2.990 14.765 727 HG2 GLU 96 1HG GLU 96 36.616 4.924 15.483 728 HG3 GLU 96 2HG GLU 96 35.774 5.923 14.299 729 H GLY 97 H GLY 97 37.559 1.440 12.224 730 HA2 GLY 97 1HA GLY 97 39.163 0.745 14.581 731 HA3 GLY 97 2HA GLY 97 39.052 -0.165 13.057 732 H GLU 98 H GLU 98 40.752 2.265 14.843 733 HA GLU 98 HA GLU 98 42.405 3.200 12.632 734 HB2 GLU 98 1HB GLU 98 42.621 3.398 15.659 735 HB3 GLU 98 2HB GLU 98 43.799 4.119 14.558 736 HG2 GLU 98 1HG GLU 98 40.834 4.758 14.619 737 HG3 GLU 98 2HG GLU 98 42.117 5.754 15.329 738 H VAL 99 H VAL 99 42.647 0.791 12.036 739 HA VAL 99 HA VAL 99 44.876 -0.587 13.416 740 HB VAL 99 HB VAL 99 42.776 -1.762 12.677 741 HG11 VAL 99 1HG1 VAL 99 43.830 -1.299 9.822 742 HG12 VAL 99 2HG1 VAL 99 42.484 -2.362 10.254 743 HG13 VAL 99 3HG1 VAL 99 42.347 -0.626 10.516 744 HG21 VAL 99 1HG2 VAL 99 45.319 -2.880 11.340 745 HG22 VAL 99 2HG2 VAL 99 44.929 -3.034 13.060 746 HG23 VAL 99 3HG2 VAL 99 43.897 -3.799 11.840 747 HXT VAL 99 H02 VAL 99 44.490 1.340 10.985 Start of MODEL 25 1 H2 GLY 1 2H0 GLY 1 3.206 5.890 -0.472 2 H GLY 1 1H0 GLY 1 2.946 7.163 -1.513 3 HA2 GLY 1 1HA GLY 1 2.464 4.266 -2.134 4 HA3 GLY 1 2HA GLY 1 2.070 5.608 -3.230 5 H SER 2 H SER 2 4.868 6.299 -1.585 6 HA SER 2 HA SER 2 6.466 5.765 -4.009 7 HB2 SER 2 1HB SER 2 8.209 7.072 -2.800 8 HB3 SER 2 2HB SER 2 6.671 7.952 -2.944 9 HG SER 2 HG SER 2 7.308 6.377 -0.671 10 H MET 3 H MET 3 7.575 3.936 -4.251 11 HA MET 3 HA MET 3 8.030 2.098 -2.069 12 HB2 MET 3 1HB MET 3 9.311 2.181 -4.834 13 HB3 MET 3 2HB MET 3 9.316 0.814 -3.716 14 HG2 MET 3 1HG MET 3 7.619 0.192 -5.129 15 HG3 MET 3 2HG MET 3 6.695 1.040 -3.878 16 HE1 MET 3 1HE MET 3 7.461 2.452 -8.228 17 HE2 MET 3 2HE MET 3 8.814 2.010 -7.162 18 HE3 MET 3 3HE MET 3 7.601 0.788 -7.614 19 H LYS 4 H LYS 4 9.312 2.771 -0.450 20 HA LYS 4 HA LYS 4 12.057 3.765 -1.158 21 HB2 LYS 4 1HB LYS 4 10.414 4.159 1.387 22 HB3 LYS 4 2HB LYS 4 12.093 4.666 1.184 23 HG2 LYS 4 1HG LYS 4 9.726 5.746 -0.401 24 HG3 LYS 4 2HG LYS 4 10.514 6.551 0.965 25 HD2 LYS 4 1HD LYS 4 12.664 6.547 -0.322 26 HD3 LYS 4 2HD LYS 4 11.786 5.884 -1.717 27 HE2 LYS 4 1HE LYS 4 10.287 7.862 -1.696 28 HE3 LYS 4 2HE LYS 4 11.219 8.533 -0.340 29 HZ1 LYS 4 1HZ LYS 4 13.176 8.523 -1.771 30 HZ2 LYS 4 2HZ LYS 4 11.974 9.424 -2.458 31 HZ3 LYS 4 3HZ LYS 4 12.307 7.912 -3.030 32 H TYR 5 H TYR 5 13.702 2.550 -0.327 33 HA TYR 5 HA TYR 5 14.806 0.722 0.289 34 HB2 TYR 5 1HB TYR 5 12.601 0.626 2.333 35 HB3 TYR 5 2HB TYR 5 13.930 -0.504 2.303 36 HD1 TYR 5 HD1 TYR 5 16.355 0.870 1.875 37 HD2 TYR 5 HD2 TYR 5 12.857 2.300 3.949 38 HE1 TYR 5 HE1 TYR 5 17.766 2.462 3.157 39 HE2 TYR 5 HE2 TYR 5 14.290 3.884 5.242 40 HH TYR 5 HH TYR 5 16.409 4.659 5.625 41 H LEU 6 H LEU 6 14.830 -1.650 0.506 42 HA LEU 6 HA LEU 6 13.532 -2.727 -1.836 43 HB2 LEU 6 1HB LEU 6 15.080 -4.136 0.369 44 HB3 LEU 6 2HB LEU 6 14.698 -4.796 -1.212 45 HG LEU 6 HG LEU 6 16.569 -2.473 -0.736 46 HD11 LEU 6 1HD1 LEU 6 18.359 -4.110 -1.224 47 HD12 LEU 6 2HD1 LEU 6 17.149 -5.408 -1.362 48 HD13 LEU 6 3HD1 LEU 6 17.428 -4.603 0.204 49 HD21 LEU 6 1HD2 LEU 6 15.976 -4.100 -3.234 50 HD22 LEU 6 2HD2 LEU 6 17.263 -2.876 -3.074 51 HD23 LEU 6 3HD2 LEU 6 15.561 -2.393 -2.963 52 H ASN 7 H ASN 7 13.132 -3.250 1.658 53 HA ASN 7 HA ASN 7 11.572 -4.321 2.914 54 HB2 ASN 7 1HB ASN 7 9.725 -3.540 0.648 55 HB3 ASN 7 2HB ASN 7 9.219 -4.058 2.263 56 HD21 ASN 7 1HD2 ASN 7 10.281 -0.264 1.576 57 HD22 ASN 7 2HD2 ASN 7 10.175 -1.475 0.320 58 H VAL 8 H VAL 8 13.039 -6.228 1.797 59 HA VAL 8 HA VAL 8 11.092 -8.235 0.745 60 HB VAL 8 HB VAL 8 12.744 -9.156 -0.559 61 HG11 VAL 8 1HG1 VAL 8 14.240 -6.575 0.018 62 HG12 VAL 8 2HG1 VAL 8 14.302 -7.555 -1.466 63 HG13 VAL 8 3HG1 VAL 8 12.810 -6.685 -1.054 64 HG21 VAL 8 1HG2 VAL 8 14.679 -8.525 1.664 65 HG22 VAL 8 2HG2 VAL 8 14.112 -10.107 1.114 66 HG23 VAL 8 3HG2 VAL 8 15.203 -9.151 0.097 67 H LEU 9 H LEU 9 11.346 -10.452 1.694 68 HA LEU 9 HA LEU 9 12.012 -10.202 4.583 69 HB2 LEU 9 1HB LEU 9 10.609 -12.418 3.056 70 HB3 LEU 9 2HB LEU 9 10.865 -12.377 4.793 71 HG LEU 9 HG LEU 9 9.145 -10.443 3.208 72 HD11 LEU 9 1HD1 LEU 9 7.274 -11.567 4.347 73 HD12 LEU 9 2HD1 LEU 9 8.411 -12.677 5.147 74 HD13 LEU 9 3HD1 LEU 9 8.212 -12.720 3.377 75 HD21 LEU 9 1HD2 LEU 9 8.363 -9.658 5.440 76 HD22 LEU 9 2HD2 LEU 9 10.070 -9.289 5.155 77 HD23 LEU 9 3HD2 LEU 9 9.617 -10.647 6.212 78 H ALA 10 H ALA 10 13.585 -11.406 5.589 79 HA ALA 10 HA ALA 10 15.069 -13.377 3.901 80 HB1 ALA 10 1HB ALA 10 16.337 -11.203 5.617 81 HB2 ALA 10 2HB ALA 10 17.201 -12.475 4.716 82 HB3 ALA 10 3HB ALA 10 16.295 -11.227 3.840 83 H LYS 11 H LYS 11 15.919 -15.124 5.050 84 HA LYS 11 HA LYS 11 14.930 -15.343 7.871 85 HB2 LYS 11 1HB LYS 11 14.045 -17.039 6.405 86 HB3 LYS 11 2HB LYS 11 15.648 -17.460 5.806 87 HG2 LYS 11 1HG LYS 11 16.275 -18.473 7.848 88 HG3 LYS 11 2HG LYS 11 14.944 -17.727 8.741 89 HD2 LYS 11 1HD LYS 11 14.480 -19.747 6.533 90 HD3 LYS 11 2HD LYS 11 14.753 -20.209 8.228 91 HE2 LYS 11 1HE LYS 11 12.870 -18.581 8.828 92 HE3 LYS 11 2HE LYS 11 12.488 -18.541 7.102 93 HZ1 LYS 11 1HZ LYS 11 12.089 -20.925 7.204 94 HZ2 LYS 11 2HZ LYS 11 11.142 -20.143 8.303 95 HZ3 LYS 11 3HZ LYS 11 12.481 -20.962 8.807 96 H ALA 12 H ALA 12 16.283 -15.735 9.518 97 HA ALA 12 HA ALA 12 19.150 -15.452 9.155 98 HB1 ALA 12 1HB ALA 12 18.007 -14.624 11.157 99 HB2 ALA 12 2HB ALA 12 17.412 -16.251 11.526 100 HB3 ALA 12 3HB ALA 12 19.147 -15.906 11.615 101 H LEU 13 H LEU 13 20.621 -17.050 8.719 102 HA LEU 13 HA LEU 13 19.698 -19.877 8.785 103 HB2 LEU 13 1HB LEU 13 22.379 -18.627 8.119 104 HB3 LEU 13 2HB LEU 13 22.024 -20.333 8.027 105 HG LEU 13 HG LEU 13 21.950 -19.840 5.877 106 HD11 LEU 13 1HD1 LEU 13 19.114 -18.944 6.480 107 HD12 LEU 13 2HD1 LEU 13 19.655 -20.643 6.449 108 HD13 LEU 13 3HD1 LEU 13 19.732 -19.658 4.975 109 HD21 LEU 13 1HD2 LEU 13 20.759 -17.133 6.374 110 HD22 LEU 13 2HD2 LEU 13 21.460 -17.753 4.863 111 HD23 LEU 13 3HD2 LEU 13 22.502 -17.475 6.258 112 H TYR 14 H TYR 14 21.292 -17.564 10.751 113 HA TYR 14 HA TYR 14 22.074 -19.669 12.692 114 HB2 TYR 14 1HB TYR 14 23.864 -17.389 11.778 115 HB3 TYR 14 2HB TYR 14 24.233 -18.577 13.030 116 HD1 TYR 14 HD1 TYR 14 24.195 -17.887 9.445 117 HD2 TYR 14 HD2 TYR 14 24.593 -21.009 12.377 118 HE1 TYR 14 HE1 TYR 14 25.170 -19.395 7.716 119 HE2 TYR 14 HE2 TYR 14 25.584 -22.488 10.655 120 HH TYR 14 HH TYR 14 26.238 -22.716 8.495 121 H ASP 15 H ASP 15 22.596 -18.691 14.812 122 HA ASP 15 HA ASP 15 20.806 -16.572 15.621 123 HB2 ASP 15 1HB ASP 15 21.879 -18.574 16.947 124 HB3 ASP 15 2HB ASP 15 23.253 -17.479 17.136 125 H ASN 16 H ASN 16 21.607 -14.585 16.659 126 HA ASN 16 HA ASN 16 24.267 -13.648 15.898 127 HB2 ASN 16 1HB ASN 16 22.688 -13.203 13.898 128 HB3 ASN 16 2HB ASN 16 21.914 -12.007 14.935 129 HD21 ASN 16 1HD2 ASN 16 24.361 -9.603 14.343 130 HD22 ASN 16 2HD2 ASN 16 22.736 -10.001 14.875 131 H VAL 17 H VAL 17 24.797 -13.104 17.923 132 HA VAL 17 HA VAL 17 22.954 -11.592 19.612 133 HB VAL 17 HB VAL 17 24.132 -13.073 20.969 134 HG11 VAL 17 1HG1 VAL 17 26.548 -13.684 20.662 135 HG12 VAL 17 2HG1 VAL 17 25.494 -14.161 19.315 136 HG13 VAL 17 3HG1 VAL 17 26.554 -12.723 19.167 137 HG21 VAL 17 1HG2 VAL 17 25.796 -11.874 22.252 138 HG22 VAL 17 2HG2 VAL 17 26.132 -10.779 20.895 139 HG23 VAL 17 3HG2 VAL 17 24.556 -10.718 21.722 140 H ALA 18 H ALA 18 22.933 -9.507 19.445 141 HA ALA 18 HA ALA 18 24.592 -8.096 17.558 142 HB1 ALA 18 1HB ALA 18 22.572 -7.131 19.625 143 HB2 ALA 18 2HB ALA 18 23.365 -6.091 18.424 144 HB3 ALA 18 3HB ALA 18 22.287 -7.394 17.882 145 H GLU 19 H GLU 19 26.413 -7.037 17.904 146 HA GLU 19 HA GLU 19 27.339 -6.710 20.750 147 HB2 GLU 19 1HB GLU 19 28.937 -7.318 18.236 148 HB3 GLU 19 2HB GLU 19 29.635 -6.998 19.836 149 HG2 GLU 19 1HG GLU 19 28.488 -8.944 20.753 150 HG3 GLU 19 2HG GLU 19 27.722 -9.269 19.200 151 H SER 20 H SER 20 26.813 -5.296 17.627 152 HA SER 20 HA SER 20 28.084 -2.724 18.459 153 HB2 SER 20 1HB SER 20 28.563 -3.405 16.166 154 HB3 SER 20 2HB SER 20 26.850 -3.725 15.857 155 HG SER 20 HG SER 20 27.728 -1.648 15.087 156 HA PRO 21 HA PRO 21 24.110 -1.442 19.854 157 HB2 PRO 21 1HB PRO 21 24.231 1.281 19.511 158 HB3 PRO 21 2HB PRO 21 25.168 0.412 20.770 159 HG2 PRO 21 1HG PRO 21 26.063 1.278 18.022 160 HG3 PRO 21 2HG PRO 21 26.859 1.551 19.604 161 HD2 PRO 21 1HD PRO 21 27.640 -0.418 18.022 162 HD3 PRO 21 2HD PRO 21 27.537 -0.645 19.803 163 H ASP 22 H ASP 22 25.125 -0.970 16.593 164 HA ASP 22 HA ASP 22 22.455 -0.036 15.711 165 HB2 ASP 22 1HB ASP 22 25.161 -0.341 14.363 166 HB3 ASP 22 2HB ASP 22 23.693 0.108 13.482 167 H GLU 23 H GLU 23 23.977 -2.943 16.395 168 HA GLU 23 HA GLU 23 23.084 -4.349 13.972 169 HB2 GLU 23 1HB GLU 23 25.294 -4.724 15.021 170 HB3 GLU 23 2HB GLU 23 24.488 -5.341 16.466 171 HG2 GLU 23 1HG GLU 23 23.551 -7.183 15.173 172 HG3 GLU 23 2HG GLU 23 24.279 -6.531 13.697 173 H LEU 24 H LEU 24 21.539 -5.960 13.902 174 HA LEU 24 HA LEU 24 19.588 -5.930 16.137 175 HB2 LEU 24 1HB LEU 24 19.532 -7.205 13.399 176 HB3 LEU 24 2HB LEU 24 18.269 -7.428 14.600 177 HG LEU 24 HG LEU 24 19.088 -4.778 13.359 178 HD11 LEU 24 1HD1 LEU 24 16.732 -6.620 12.884 179 HD12 LEU 24 2HD1 LEU 24 17.991 -6.144 11.726 180 HD13 LEU 24 3HD1 LEU 24 16.820 -4.947 12.302 181 HD21 LEU 24 1HD2 LEU 24 16.900 -5.501 15.351 182 HD22 LEU 24 2HD2 LEU 24 16.949 -3.970 14.448 183 HD23 LEU 24 3HD2 LEU 24 18.253 -4.363 15.585 184 H SER 25 H SER 25 18.979 -7.638 17.335 185 HA SER 25 HA SER 25 20.813 -9.963 17.296 186 HB2 SER 25 1HB SER 25 19.331 -9.976 19.676 187 HB3 SER 25 2HB SER 25 21.024 -9.483 19.482 188 HG SER 25 HG SER 25 20.380 -7.374 19.227 189 H PHE 26 H PHE 26 19.997 -11.837 16.666 190 HA PHE 26 HA PHE 26 17.135 -12.441 17.088 191 HB2 PHE 26 1HB PHE 26 16.804 -13.013 14.689 192 HB3 PHE 26 2HB PHE 26 17.014 -11.296 14.997 193 HD1 PHE 26 HD1 PHE 26 18.840 -14.340 13.820 194 HD2 PHE 26 HD2 PHE 26 18.668 -10.045 13.931 195 HE1 PHE 26 HE1 PHE 26 20.640 -14.231 12.112 196 HE2 PHE 26 HE2 PHE 26 20.447 -9.927 12.228 197 HZ PHE 26 HZ PHE 26 21.432 -12.033 11.288 198 H ARG 27 H ARG 27 16.516 -14.583 16.239 199 HA ARG 27 HA ARG 27 18.640 -16.568 16.974 200 HB2 ARG 27 1HB ARG 27 16.391 -16.304 18.191 201 HB3 ARG 27 2HB ARG 27 15.597 -16.778 16.701 202 HG2 ARG 27 1HG ARG 27 15.566 -18.668 18.076 203 HG3 ARG 27 2HG ARG 27 16.825 -19.007 16.880 204 HD2 ARG 27 1HD ARG 27 18.541 -18.745 18.427 205 HD3 ARG 27 2HD ARG 27 17.580 -17.695 19.477 206 HE ARG 27 HE ARG 27 16.588 -19.550 20.478 207 HH11 ARG 27 1HH1 ARG 27 18.720 -20.632 17.885 208 HH12 ARG 27 2HH1 ARG 27 18.700 -22.289 18.429 209 HH21 ARG 27 1HH2 ARG 27 16.611 -21.676 21.114 210 HH22 ARG 27 2HH2 ARG 27 17.524 -22.865 20.228 211 H LYS 28 H LYS 28 18.841 -18.474 15.721 212 HA LYS 28 HA LYS 28 18.713 -18.261 12.874 213 HB2 LYS 28 1HB LYS 28 20.112 -19.950 13.986 214 HB3 LYS 28 2HB LYS 28 18.693 -20.671 14.755 215 HG2 LYS 28 1HG LYS 28 17.853 -21.446 12.614 216 HG3 LYS 28 2HG LYS 28 19.159 -20.625 11.763 217 HD2 LYS 28 1HD LYS 28 20.813 -22.061 12.904 218 HD3 LYS 28 2HD LYS 28 19.499 -22.876 13.781 219 HE2 LYS 28 1HE LYS 28 18.544 -23.634 11.624 220 HE3 LYS 28 2HE LYS 28 19.875 -22.828 10.762 221 HZ1 LYS 28 1HZ LYS 28 20.221 -25.019 12.719 222 HZ2 LYS 28 2HZ LYS 28 21.426 -24.263 11.882 223 HZ3 LYS 28 3HZ LYS 28 20.320 -25.174 11.078 224 H GLY 29 H GLY 29 17.097 -18.466 11.478 225 HA2 GLY 29 1HA GLY 29 15.129 -19.512 10.667 226 HA3 GLY 29 2HA GLY 29 14.627 -19.874 12.320 227 H ASP 30 H ASP 30 15.556 -16.811 12.757 228 HA ASP 30 HA ASP 30 12.844 -15.842 12.751 229 HB2 ASP 30 1HB ASP 30 15.541 -14.518 13.188 230 HB3 ASP 30 2HB ASP 30 14.025 -13.619 13.237 231 H ILE 31 H ILE 31 12.067 -13.944 11.643 232 HA ILE 31 HA ILE 31 13.234 -13.663 8.906 233 HB ILE 31 HB ILE 31 10.315 -13.363 9.768 234 HG12 ILE 31 1HG1 ILE 31 10.900 -15.713 9.709 235 HG13 ILE 31 2HG1 ILE 31 9.898 -15.316 8.321 236 HG21 ILE 31 1HG2 ILE 31 10.743 -11.800 7.978 237 HG22 ILE 31 2HG2 ILE 31 11.694 -12.993 7.063 238 HG23 ILE 31 3HG2 ILE 31 9.932 -13.195 7.240 239 HD11 ILE 31 1HD1 ILE 31 12.154 -15.115 7.014 240 HD12 ILE 31 2HD1 ILE 31 12.810 -16.022 8.399 241 HD13 ILE 31 3HD1 ILE 31 11.499 -16.708 7.417 242 H MET 32 H MET 32 13.912 -11.678 8.391 243 HA MET 32 HA MET 32 12.723 -9.365 9.866 244 HB2 MET 32 1HB MET 32 14.933 -8.256 9.754 245 HB3 MET 32 2HB MET 32 14.914 -9.678 10.779 246 HG2 MET 32 1HG MET 32 15.735 -10.793 8.457 247 HG3 MET 32 2HG MET 32 16.415 -9.177 8.301 248 HE1 MET 32 1HE MET 32 15.699 -11.680 11.417 249 HE2 MET 32 2HE MET 32 16.440 -12.633 10.109 250 HE3 MET 32 3HE MET 32 17.342 -12.320 11.610 251 H THR 33 H THR 33 12.688 -7.431 8.722 252 HA THR 33 HA THR 33 12.253 -7.874 5.820 253 HB THR 33 HB THR 33 11.738 -5.447 7.608 254 HG1 THR 33 HG1 THR 33 9.561 -6.167 7.375 255 HG21 THR 33 1HG2 THR 33 12.006 -4.742 5.306 256 HG22 THR 33 2HG2 THR 33 10.286 -4.707 5.730 257 HG23 THR 33 3HG2 THR 33 10.923 -6.044 4.743 258 H VAL 34 H VAL 34 13.993 -7.602 4.502 259 HA VAL 34 HA VAL 34 16.267 -5.965 5.346 260 HB VAL 34 HB VAL 34 15.750 -7.212 2.646 261 HG11 VAL 34 1HG1 VAL 34 17.488 -5.513 2.555 262 HG12 VAL 34 2HG1 VAL 34 18.300 -6.224 3.972 263 HG13 VAL 34 3HG1 VAL 34 18.226 -7.121 2.433 264 HG21 VAL 34 1HG2 VAL 34 17.269 -9.022 3.487 265 HG22 VAL 34 2HG2 VAL 34 17.107 -8.328 5.111 266 HG23 VAL 34 3HG2 VAL 34 15.679 -8.974 4.264 267 H LEU 35 H LEU 35 16.423 -3.876 5.059 268 HA LEU 35 HA LEU 35 14.467 -2.528 3.283 269 HB2 LEU 35 1HB LEU 35 16.426 -1.479 5.342 270 HB3 LEU 35 2HB LEU 35 15.232 -0.511 4.489 271 HG LEU 35 HG LEU 35 14.561 -2.828 6.340 272 HD11 LEU 35 1HD1 LEU 35 14.620 0.151 6.784 273 HD12 LEU 35 2HD1 LEU 35 15.619 -1.097 7.569 274 HD13 LEU 35 3HD1 LEU 35 13.874 -1.030 7.884 275 HD21 LEU 35 1HD2 LEU 35 12.787 -2.422 4.712 276 HD22 LEU 35 2HD2 LEU 35 12.816 -0.682 5.074 277 HD23 LEU 35 3HD2 LEU 35 12.284 -1.847 6.307 278 H GLU 36 H GLU 36 18.005 -2.752 3.932 279 HA GLU 36 HA GLU 36 18.399 -2.527 1.048 280 HB2 GLU 36 1HB GLU 36 19.741 -0.632 0.923 281 HB3 GLU 36 2HB GLU 36 18.338 -0.143 1.858 282 HG2 GLU 36 1HG GLU 36 19.650 -0.361 3.883 283 HG3 GLU 36 2HG GLU 36 21.066 -0.671 2.871 284 H ARG 37 H ARG 37 20.908 -2.625 0.630 285 HA ARG 37 HA ARG 37 22.103 -4.456 2.680 286 HB2 ARG 37 1HB ARG 37 22.397 -4.569 -0.325 287 HB3 ARG 37 2HB ARG 37 23.174 -5.643 0.841 288 HG2 ARG 37 1HG ARG 37 20.847 -6.451 1.483 289 HG3 ARG 37 2HG ARG 37 20.247 -5.534 0.081 290 HD2 ARG 37 1HD ARG 37 22.029 -7.950 0.166 291 HD3 ARG 37 2HD ARG 37 20.623 -7.657 -0.854 292 HE ARG 37 HE ARG 37 23.413 -6.742 -1.271 293 HH11 ARG 37 1HH1 ARG 37 20.071 -6.469 -2.417 294 HH12 ARG 37 2HH1 ARG 37 20.562 -5.722 -3.913 295 HH21 ARG 37 1HH2 ARG 37 23.945 -5.776 -3.156 296 HH22 ARG 37 2HH2 ARG 37 22.725 -5.349 -4.331 297 H ASP 38 H ASP 38 24.379 -4.224 2.806 298 HA ASP 38 HA ASP 38 26.349 -3.126 2.780 299 HB2 ASP 38 1HB ASP 38 25.596 -2.347 -0.054 300 HB3 ASP 38 2HB ASP 38 27.228 -2.575 0.603 301 H THR 39 H THR 39 24.181 -1.953 3.902 302 HA THR 39 HA THR 39 23.619 0.746 3.157 303 HB THR 39 HB THR 39 22.082 -0.543 4.552 304 HG1 THR 39 HG1 THR 39 21.889 1.592 4.971 305 HG21 THR 39 1HG2 THR 39 23.491 -1.999 5.735 306 HG22 THR 39 2HG2 THR 39 22.598 -1.016 6.905 307 HG23 THR 39 3HG2 THR 39 24.305 -0.652 6.570 308 H GLN 40 H GLN 40 24.334 2.690 4.008 309 HA GLN 40 HA GLN 40 25.867 4.201 4.727 310 HB2 GLN 40 1HB GLN 40 26.833 2.317 6.838 311 HB3 GLN 40 2HB GLN 40 26.696 4.065 6.893 312 HG2 GLN 40 1HG GLN 40 24.193 3.746 6.814 313 HG3 GLN 40 2HG GLN 40 24.472 2.016 7.009 314 HE21 GLN 40 1HE2 GLN 40 23.839 3.310 10.379 315 HE22 GLN 40 2HE2 GLN 40 22.957 3.170 8.872 316 H GLY 41 H GLY 41 26.753 1.679 3.035 317 HA2 GLY 41 1HA GLY 41 28.703 1.361 1.776 318 HA3 GLY 41 2HA GLY 41 29.549 2.553 2.784 319 H LEU 42 H LEU 42 27.769 0.206 4.579 320 HA LEU 42 HA LEU 42 30.284 -1.024 5.474 321 HB2 LEU 42 1HB LEU 42 27.409 -1.401 6.351 322 HB3 LEU 42 2HB LEU 42 28.825 -2.032 7.172 323 HG LEU 42 HG LEU 42 28.295 0.920 6.822 324 HD11 LEU 42 1HD1 LEU 42 27.609 -0.918 9.138 325 HD12 LEU 42 2HD1 LEU 42 26.457 -0.091 8.053 326 HD13 LEU 42 3HD1 LEU 42 27.480 0.860 9.149 327 HD21 LEU 42 1HD2 LEU 42 29.838 1.101 8.734 328 HD22 LEU 42 2HD2 LEU 42 30.609 0.373 7.311 329 HD23 LEU 42 3HD2 LEU 42 30.098 -0.656 8.671 330 H ASP 43 H ASP 43 30.848 -2.215 3.640 331 HA ASP 43 HA ASP 43 29.110 -3.782 2.074 332 HB2 ASP 43 1HB ASP 43 32.051 -4.015 2.725 333 HB3 ASP 43 2HB ASP 43 31.242 -5.234 1.727 334 H GLY 44 H GLY 44 28.023 -5.604 2.332 335 HA2 GLY 44 1HA GLY 44 27.692 -7.794 3.101 336 HA3 GLY 44 2HA GLY 44 29.022 -7.613 4.250 337 H TRP 45 H TRP 45 27.499 -4.900 5.070 338 HA TRP 45 HA TRP 45 25.827 -6.271 7.089 339 HB2 TRP 45 1HB TRP 45 26.874 -3.481 6.621 340 HB3 TRP 45 2HB TRP 45 25.662 -3.775 7.827 341 HD1 TRP 45 HD1 TRP 45 29.353 -3.840 7.342 342 HE1 TRP 45 HE1 TRP 45 30.582 -4.759 9.366 343 HE3 TRP 45 HE3 TRP 45 25.311 -5.838 9.716 344 HZ2 TRP 45 HZ2 TRP 45 29.879 -6.255 11.718 345 HZ3 TRP 45 HZ3 TRP 45 25.639 -6.996 11.899 346 HH2 TRP 45 HH2 TRP 45 27.899 -7.213 12.876 347 H TRP 46 H TRP 46 23.634 -6.351 6.911 348 HA TRP 46 HA TRP 46 22.410 -4.760 4.680 349 HB2 TRP 46 1HB TRP 46 21.560 -7.403 5.926 350 HB3 TRP 46 2HB TRP 46 20.652 -6.531 4.682 351 HD1 TRP 46 HD1 TRP 46 24.115 -6.103 3.643 352 HE1 TRP 46 HE1 TRP 46 24.909 -7.777 1.925 353 HE3 TRP 46 HE3 TRP 46 20.295 -9.496 4.168 354 HZ2 TRP 46 HZ2 TRP 46 24.019 -10.298 0.900 355 HZ3 TRP 46 HZ3 TRP 46 20.374 -11.577 2.803 356 HH2 TRP 46 HH2 TRP 46 22.195 -11.948 1.156 357 H LEU 47 H LEU 47 20.925 -3.272 5.188 358 HA LEU 47 HA LEU 47 20.240 -2.813 8.000 359 HB2 LEU 47 1HB LEU 47 20.542 -0.949 6.380 360 HB3 LEU 47 2HB LEU 47 19.227 -1.591 5.411 361 HG LEU 47 HG LEU 47 17.646 -1.108 7.208 362 HD11 LEU 47 1HD1 LEU 47 20.063 -0.003 8.654 363 HD12 LEU 47 2HD1 LEU 47 18.989 -1.321 9.178 364 HD13 LEU 47 3HD1 LEU 47 18.384 0.336 9.113 365 HD21 LEU 47 1HD2 LEU 47 19.400 1.255 6.440 366 HD22 LEU 47 2HD2 LEU 47 17.719 1.351 7.014 367 HD23 LEU 47 3HD2 LEU 47 18.082 0.566 5.466 368 H CYS 48 H CYS 48 18.679 -3.939 8.988 369 HA CYS 48 HA CYS 48 16.315 -4.696 7.335 370 HB2 CYS 48 1HB CYS 48 17.511 -6.506 9.458 371 HB3 CYS 48 2HB CYS 48 16.223 -6.874 8.314 372 HG CYS 48 HG CYS 48 19.406 -6.231 7.686 373 H SER 49 H SER 49 14.488 -5.375 8.748 374 HA SER 49 HA SER 49 14.513 -3.870 11.315 375 HB2 SER 49 1HB SER 49 12.829 -2.562 10.658 376 HB3 SER 49 2HB SER 49 13.112 -3.125 9.017 377 HG SER 49 HG SER 49 10.957 -3.446 9.604 378 H LEU 50 H LEU 50 13.876 -5.030 12.988 379 HA LEU 50 HA LEU 50 12.300 -7.537 12.583 380 HB2 LEU 50 1HB LEU 50 14.732 -8.130 12.517 381 HB3 LEU 50 2HB LEU 50 14.957 -7.304 14.057 382 HG LEU 50 HG LEU 50 12.941 -9.115 14.621 383 HD11 LEU 50 1HD1 LEU 50 13.612 -11.234 13.814 384 HD12 LEU 50 2HD1 LEU 50 15.007 -10.525 12.970 385 HD13 LEU 50 3HD1 LEU 50 13.352 -10.156 12.421 386 HD21 LEU 50 1HD2 LEU 50 15.941 -9.345 14.971 387 HD22 LEU 50 2HD2 LEU 50 14.727 -10.295 15.859 388 HD23 LEU 50 3HD2 LEU 50 14.798 -8.535 16.070 389 H HIS 51 H HIS 51 10.840 -7.725 14.220 390 HA HIS 51 HA HIS 51 9.575 -7.143 16.043 391 HB2 HIS 51 1HB HIS 51 12.241 -6.508 17.356 392 HB3 HIS 51 2HB HIS 51 10.713 -6.824 18.179 393 HD1 HIS 51 HD1 HIS 51 13.312 -8.558 18.657 394 HD2 HIS 51 HD2 HIS 51 10.201 -9.541 16.066 395 HE1 HIS 51 HE1 HIS 51 13.370 -11.066 18.353 396 H GLY 52 H GLY 52 10.308 -4.986 14.067 397 HA2 GLY 52 1HA GLY 52 9.593 -2.781 13.890 398 HA3 GLY 52 2HA GLY 52 9.226 -2.773 15.618 399 H ARG 53 H ARG 53 12.419 -3.851 15.130 400 HA ARG 53 HA ARG 53 13.464 -1.102 15.681 401 HB2 ARG 53 1HB ARG 53 13.672 -3.348 17.265 402 HB3 ARG 53 2HB ARG 53 15.101 -3.534 16.259 403 HG2 ARG 53 1HG ARG 53 14.467 -1.082 17.957 404 HG3 ARG 53 2HG ARG 53 15.566 -2.393 18.422 405 HD2 ARG 53 1HD ARG 53 16.888 -1.889 16.307 406 HD3 ARG 53 2HD ARG 53 15.896 -0.436 16.119 407 HE ARG 53 HE ARG 53 18.070 -0.888 18.016 408 HH11 ARG 53 1HH1 ARG 53 15.295 1.176 17.268 409 HH12 ARG 53 2HH1 ARG 53 15.940 2.520 18.170 410 HH21 ARG 53 1HH2 ARG 53 18.816 0.858 19.142 411 HH22 ARG 53 2HH2 ARG 53 17.894 2.336 19.222 412 H GLN 54 H GLN 54 15.028 -0.395 14.295 413 HA GLN 54 HA GLN 54 15.653 -2.124 11.958 414 HB2 GLN 54 1HB GLN 54 15.154 0.721 12.412 415 HB3 GLN 54 2HB GLN 54 16.662 0.442 11.529 416 HG2 GLN 54 1HG GLN 54 15.457 -0.865 9.880 417 HG3 GLN 54 2HG GLN 54 13.949 -0.634 10.782 418 HE21 GLN 54 1HE2 GLN 54 15.579 2.578 8.784 419 HE22 GLN 54 2HE2 GLN 54 16.619 1.297 9.355 420 H GLY 55 H GLY 55 17.808 -2.489 11.340 421 HA2 GLY 55 1HA GLY 55 20.037 -1.140 12.481 422 HA3 GLY 55 2HA GLY 55 19.743 -2.614 13.418 423 H ILE 56 H ILE 56 22.115 -2.559 12.237 424 HA ILE 56 HA ILE 56 21.913 -3.729 9.532 425 HB ILE 56 HB ILE 56 24.379 -3.705 9.513 426 HG12 ILE 56 1HG1 ILE 56 24.106 -2.760 12.413 427 HG13 ILE 56 2HG1 ILE 56 24.716 -4.327 11.909 428 HG21 ILE 56 1HG2 ILE 56 24.667 -1.317 9.540 429 HG22 ILE 56 2HG2 ILE 56 22.968 -1.593 9.113 430 HG23 ILE 56 3HG2 ILE 56 23.400 -1.090 10.769 431 HD11 ILE 56 1HD1 ILE 56 26.001 -1.609 11.580 432 HD12 ILE 56 2HD1 ILE 56 26.612 -3.036 12.439 433 HD13 ILE 56 3HD1 ILE 56 26.548 -3.031 10.664 434 H VAL 57 H VAL 57 22.796 -5.746 8.983 435 HA VAL 57 HA VAL 57 23.045 -7.749 11.180 436 HB VAL 57 HB VAL 57 21.301 -8.028 8.721 437 HG11 VAL 57 1HG1 VAL 57 20.588 -10.170 9.756 438 HG12 VAL 57 2HG1 VAL 57 22.232 -10.127 9.094 439 HG13 VAL 57 3HG1 VAL 57 21.970 -9.981 10.840 440 HG21 VAL 57 1HG2 VAL 57 20.571 -7.762 11.631 441 HG22 VAL 57 2HG2 VAL 57 20.156 -6.642 10.316 442 HG23 VAL 57 3HG2 VAL 57 19.420 -8.255 10.364 443 HA PRO 58 HA PRO 58 26.282 -8.814 8.301 444 HB2 PRO 58 1HB PRO 58 26.984 -11.316 9.187 445 HB3 PRO 58 2HB PRO 58 27.410 -9.823 10.081 446 HG2 PRO 58 1HG PRO 58 25.118 -11.704 10.553 447 HG3 PRO 58 2HG PRO 58 26.287 -11.029 11.728 448 HD2 PRO 58 1HD PRO 58 23.816 -9.976 11.355 449 HD3 PRO 58 2HD PRO 58 25.220 -8.954 11.747 450 H GLY 59 H GLY 59 25.709 -9.253 6.227 451 HA2 GLY 59 1HA GLY 59 23.467 -10.832 5.494 452 HA3 GLY 59 2HA GLY 59 24.774 -10.316 4.413 453 H ASN 60 H ASN 60 26.712 -11.720 6.254 454 HA ASN 60 HA ASN 60 26.939 -14.202 4.896 455 HB2 ASN 60 1HB ASN 60 28.599 -12.710 6.361 456 HB3 ASN 60 2HB ASN 60 28.077 -13.793 7.657 457 HD21 ASN 60 1HD2 ASN 60 31.071 -15.330 6.299 458 HD22 ASN 60 2HD2 ASN 60 30.588 -13.996 7.329 459 H ARG 61 H ARG 61 24.899 -13.296 7.565 460 HA ARG 61 HA ARG 61 24.421 -16.186 8.187 461 HB2 ARG 61 1HB ARG 61 23.966 -13.728 9.916 462 HB3 ARG 61 2HB ARG 61 23.589 -15.394 10.374 463 HG2 ARG 61 1HG ARG 61 26.003 -15.971 10.133 464 HG3 ARG 61 2HG ARG 61 26.354 -14.258 9.825 465 HD2 ARG 61 1HD ARG 61 25.424 -13.668 12.024 466 HD3 ARG 61 2HD ARG 61 25.054 -15.377 12.320 467 HE ARG 61 HE ARG 61 27.829 -15.108 11.664 468 HH11 ARG 61 1HH1 ARG 61 25.626 -14.420 14.344 469 HH12 ARG 61 2HH1 ARG 61 26.908 -14.529 15.527 470 HH21 ARG 61 1HH2 ARG 61 29.367 -15.261 13.202 471 HH22 ARG 61 2HH2 ARG 61 28.996 -14.995 14.894 472 H LEU 62 H LEU 62 23.204 -14.014 6.177 473 HA LEU 62 HA LEU 62 20.376 -14.662 6.897 474 HB2 LEU 62 1HB LEU 62 21.685 -12.145 6.011 475 HB3 LEU 62 2HB LEU 62 20.157 -12.536 5.242 476 HG LEU 62 HG LEU 62 20.614 -12.182 8.200 477 HD11 LEU 62 1HD1 LEU 62 19.107 -10.543 6.134 478 HD12 LEU 62 2HD1 LEU 62 20.687 -10.126 6.842 479 HD13 LEU 62 3HD1 LEU 62 19.243 -10.164 7.869 480 HD21 LEU 62 1HD2 LEU 62 18.863 -13.743 8.087 481 HD22 LEU 62 2HD2 LEU 62 18.116 -12.953 6.686 482 HD23 LEU 62 3HD2 LEU 62 18.081 -12.185 8.286 483 H LYS 63 H LYS 63 18.925 -15.063 5.339 484 HA LYS 63 HA LYS 63 20.004 -15.407 2.564 485 HB2 LYS 63 1HB LYS 63 19.843 -17.632 3.521 486 HB3 LYS 63 2HB LYS 63 18.198 -17.317 4.084 487 HG2 LYS 63 1HG LYS 63 17.352 -17.283 1.829 488 HG3 LYS 63 2HG LYS 63 18.990 -17.274 1.152 489 HD2 LYS 63 1HD LYS 63 18.090 -19.482 0.903 490 HD3 LYS 63 2HD LYS 63 19.368 -19.533 2.131 491 HE2 LYS 63 1HE LYS 63 17.605 -19.440 3.909 492 HE3 LYS 63 2HE LYS 63 16.363 -19.491 2.639 493 HZ1 LYS 63 1HZ LYS 63 17.276 -21.640 1.942 494 HZ2 LYS 63 2HZ LYS 63 16.821 -21.697 3.525 495 HZ3 LYS 63 3HZ LYS 63 18.419 -21.583 3.129 496 H ILE 64 H ILE 64 18.982 -14.168 1.218 497 HA ILE 64 HA ILE 64 16.514 -12.837 1.861 498 HB ILE 64 HB ILE 64 17.824 -13.255 -0.871 499 HG12 ILE 64 1HG1 ILE 64 19.394 -12.183 0.718 500 HG13 ILE 64 2HG1 ILE 64 18.907 -11.124 -0.588 501 HG21 ILE 64 1HG2 ILE 64 15.757 -11.304 0.160 502 HG22 ILE 64 2HG2 ILE 64 16.626 -11.069 -1.371 503 HG23 ILE 64 3HG2 ILE 64 15.568 -12.479 -1.148 504 HD11 ILE 64 1HD1 ILE 64 17.319 -9.944 0.953 505 HD12 ILE 64 2HD1 ILE 64 17.904 -10.977 2.281 506 HD13 ILE 64 3HD1 ILE 64 19.002 -9.843 1.472 507 H LEU 65 H LEU 65 14.476 -13.555 1.641 508 HA LEU 65 HA LEU 65 14.103 -16.215 0.382 509 HB2 LEU 65 1HB LEU 65 12.193 -14.501 1.998 510 HB3 LEU 65 2HB LEU 65 11.909 -16.158 1.465 511 HG LEU 65 HG LEU 65 14.020 -15.264 3.456 512 HD11 LEU 65 1HD1 LEU 65 11.721 -15.107 4.281 513 HD12 LEU 65 2HD1 LEU 65 12.581 -16.439 5.065 514 HD13 LEU 65 3HD1 LEU 65 11.409 -16.787 3.777 515 HD21 LEU 65 1HD2 LEU 65 14.872 -17.204 2.279 516 HD22 LEU 65 2HD2 LEU 65 13.300 -18.038 2.417 517 HD23 LEU 65 3HD2 LEU 65 14.286 -17.733 3.866 518 H VAL 66 H VAL 66 14.546 -15.073 -1.751 519 HA VAL 66 HA VAL 66 12.506 -13.390 -2.898 520 HB VAL 66 HB VAL 66 14.351 -15.364 -4.327 521 HG11 VAL 66 1HG1 VAL 66 12.521 -14.554 -5.775 522 HG12 VAL 66 2HG1 VAL 66 12.928 -12.876 -5.360 523 HG13 VAL 66 3HG1 VAL 66 14.075 -13.870 -6.289 524 HG21 VAL 66 1HG2 VAL 66 14.820 -12.461 -3.565 525 HG22 VAL 66 2HG2 VAL 66 15.733 -13.885 -3.008 526 HG23 VAL 66 3HG2 VAL 66 15.832 -13.382 -4.702 527 H GLY 67 H GLY 67 12.910 -16.871 -2.465 528 HA2 GLY 67 1HA GLY 67 11.300 -18.517 -2.454 529 HA3 GLY 67 2HA GLY 67 10.080 -17.307 -2.872 530 H MET 68 H MET 68 12.380 -16.875 -5.149 531 HA MET 68 HA MET 68 11.292 -18.980 -6.957 532 HB2 MET 68 1HB MET 68 10.071 -16.779 -7.146 533 HB3 MET 68 2HB MET 68 11.596 -16.040 -7.631 534 HG2 MET 68 1HG MET 68 11.660 -17.707 -9.557 535 HG3 MET 68 2HG MET 68 10.015 -18.178 -9.099 536 HE1 MET 68 1HE MET 68 11.360 -14.102 -10.878 537 HE2 MET 68 2HE MET 68 11.980 -14.665 -9.306 538 HE3 MET 68 3HE MET 68 12.354 -15.575 -10.787 539 H TYR 69 H TYR 69 13.437 -19.928 -6.410 540 HA TYR 69 HA TYR 69 15.253 -19.330 -8.593 541 HB2 TYR 69 1HB TYR 69 17.277 -19.089 -7.116 542 HB3 TYR 69 2HB TYR 69 16.201 -17.690 -7.095 543 HD1 TYR 69 HD1 TYR 69 17.504 -20.530 -5.102 544 HD2 TYR 69 HD2 TYR 69 14.894 -17.120 -5.118 545 HE1 TYR 69 HE1 TYR 69 17.342 -20.646 -2.618 546 HE2 TYR 69 HE2 TYR 69 14.750 -17.225 -2.619 547 HH TYR 69 HH TYR 69 16.417 -19.768 -0.746 548 H ASP 70 H ASP 70 16.544 -21.130 -9.010 549 HA ASP 70 HA ASP 70 16.797 -23.295 -7.085 550 HB2 ASP 70 1HB ASP 70 14.505 -23.275 -8.825 551 HB3 ASP 70 2HB ASP 70 15.588 -24.580 -9.329 552 H LYS 71 H LYS 71 16.643 -22.651 -10.581 553 HA LYS 71 HA LYS 71 18.128 -22.928 -12.294 554 HB2 LYS 71 1HB LYS 71 20.211 -22.497 -10.127 555 HB3 LYS 71 2HB LYS 71 20.486 -22.389 -11.867 556 HG2 LYS 71 1HG LYS 71 18.751 -20.548 -11.945 557 HG3 LYS 71 2HG LYS 71 18.752 -20.562 -10.169 558 HD2 LYS 71 1HD LYS 71 21.189 -20.103 -10.178 559 HD3 LYS 71 2HD LYS 71 21.170 -20.076 -11.955 560 HE2 LYS 71 1HE LYS 71 19.560 -18.174 -11.891 561 HE3 LYS 71 2HE LYS 71 19.643 -18.183 -10.116 562 HZ1 LYS 71 1HZ LYS 71 21.144 -16.543 -11.067 563 HZ2 LYS 71 2HZ LYS 71 21.934 -17.688 -11.945 564 HZ3 LYS 71 3HZ LYS 71 22.021 -17.707 -10.298 565 H LYS 72 H LYS 72 17.191 -25.358 -11.226 566 HA LYS 72 HA LYS 72 19.572 -27.136 -11.619 567 HB2 LYS 72 1HB LYS 72 16.883 -27.707 -10.326 568 HB3 LYS 72 2HB LYS 72 18.168 -28.896 -10.547 569 HG2 LYS 72 1HG LYS 72 19.625 -27.661 -9.026 570 HG3 LYS 72 2HG LYS 72 18.430 -26.361 -8.902 571 HD2 LYS 72 1HD LYS 72 16.813 -27.923 -7.902 572 HD3 LYS 72 2HD LYS 72 18.016 -29.221 -7.995 573 HE2 LYS 72 1HE LYS 72 17.995 -28.302 -5.741 574 HE3 LYS 72 2HE LYS 72 19.527 -27.882 -6.526 575 HZ1 LYS 72 1HZ LYS 72 18.647 -25.673 -6.940 576 HZ2 LYS 72 2HZ LYS 72 18.534 -26.013 -5.324 577 HZ3 LYS 72 3HZ LYS 72 17.191 -26.072 -6.273 578 HA PRO 73 HA PRO 73 17.587 -27.888 -15.428 579 HB2 PRO 73 1HB PRO 73 18.492 -30.350 -16.206 580 HB3 PRO 73 2HB PRO 73 19.548 -28.899 -16.160 581 HG2 PRO 73 1HG PRO 73 19.253 -31.089 -14.118 582 HG3 PRO 73 2HG PRO 73 20.748 -30.388 -14.815 583 HD2 PRO 73 1HD PRO 73 19.756 -29.612 -12.400 584 HD3 PRO 73 2HD PRO 73 20.590 -28.459 -13.498 585 H ALA 74 H ALA 74 15.502 -28.260 -15.691 586 HA ALA 74 HA ALA 74 13.403 -29.109 -15.487 587 HB1 ALA 74 1HB ALA 74 13.147 -31.444 -16.155 588 HB2 ALA 74 2HB ALA 74 14.447 -30.688 -17.104 589 HB3 ALA 74 3HB ALA 74 14.847 -31.778 -15.754 590 H GLY 75 H GLY 75 14.625 -28.647 -12.849 591 HA2 GLY 75 1HA GLY 75 12.714 -30.188 -11.320 592 HA3 GLY 75 2HA GLY 75 14.375 -30.718 -11.035 593 H SER 76 H SER 76 13.213 -29.931 -8.874 594 HA SER 76 HA SER 76 14.415 -27.297 -8.244 595 HB2 SER 76 1HB SER 76 12.337 -26.698 -6.990 596 HB3 SER 76 2HB SER 76 12.066 -26.776 -8.743 597 HG SER 76 HG SER 76 10.464 -27.864 -7.411 598 H GLY 77 H GLY 77 14.608 -27.102 -5.793 599 HA2 GLY 77 1HA GLY 77 13.966 -29.365 -4.172 600 HA3 GLY 77 2HA GLY 77 15.629 -29.533 -4.725 601 H GLY 78 H GLY 78 14.654 -29.312 -2.049 602 HA2 GLY 78 1HA GLY 78 15.711 -26.665 -1.185 603 HA3 GLY 78 2HA GLY 78 14.728 -27.771 -0.208 604 H SER 79 H SER 79 16.322 -27.692 1.492 605 HA SER 79 HA SER 79 18.591 -29.548 0.961 606 HB2 SER 79 1HB SER 79 20.036 -28.160 2.407 607 HB3 SER 79 2HB SER 79 19.504 -27.243 0.980 608 HG SER 79 HG SER 79 18.479 -27.099 3.629 609 H GLY 80 H GLY 80 19.236 -30.723 2.861 610 HA2 GLY 80 1HA GLY 80 17.007 -31.019 4.793 611 HA3 GLY 80 2HA GLY 80 18.354 -32.146 4.539 612 H SER 81 H SER 81 18.348 -32.021 6.977 613 HA SER 81 HA SER 81 20.434 -30.104 7.797 614 HB2 SER 81 1HB SER 81 19.172 -29.542 9.877 615 HB3 SER 81 2HB SER 81 18.356 -28.929 8.421 616 HG SER 81 HG SER 81 17.713 -31.378 9.726 617 H GLY 82 H GLY 82 21.446 -30.897 9.851 618 HA2 GLY 82 1HA GLY 82 20.616 -33.438 10.941 619 HA3 GLY 82 2HA GLY 82 22.039 -33.600 9.877 620 H LEU 83 H LEU 83 22.467 -34.179 12.466 621 HA LEU 83 HA LEU 83 23.674 -33.718 14.335 622 HB2 LEU 83 1HB LEU 83 24.933 -32.172 12.230 623 HB3 LEU 83 2HB LEU 83 25.099 -31.342 13.764 624 HG LEU 83 HG LEU 83 25.925 -34.223 13.266 625 HD11 LEU 83 1HD1 LEU 83 28.224 -33.325 13.228 626 HD12 LEU 83 2HD1 LEU 83 27.581 -31.671 13.366 627 HD13 LEU 83 3HD1 LEU 83 27.238 -32.642 11.916 628 HD21 LEU 83 1HD2 LEU 83 25.468 -33.760 15.655 629 HD22 LEU 83 2HD2 LEU 83 26.555 -32.351 15.594 630 HD23 LEU 83 3HD2 LEU 83 27.196 -33.989 15.367 631 H THR 84 H THR 84 24.299 -31.862 15.964 632 HA THR 84 HA THR 84 21.986 -29.978 16.165 633 HB THR 84 HB THR 84 21.761 -31.824 17.805 634 HG1 THR 84 HG1 THR 84 22.404 -29.232 18.766 635 HG21 THR 84 1HG2 THR 84 23.322 -31.993 19.687 636 HG22 THR 84 2HG2 THR 84 24.388 -30.793 18.933 637 HG23 THR 84 3HG2 THR 84 24.133 -32.373 18.159 638 H ASP 85 H ASP 85 25.297 -30.500 15.960 639 HA ASP 85 HA ASP 85 26.021 -27.925 17.221 640 HB2 ASP 85 1HB ASP 85 27.706 -30.187 16.079 641 HB3 ASP 85 2HB ASP 85 28.340 -28.731 16.872 642 H GLU 86 H GLU 86 26.005 -26.196 15.900 643 HA GLU 86 HA GLU 86 26.966 -26.461 13.132 644 HB2 GLU 86 1HB GLU 86 24.439 -26.762 13.128 645 HB3 GLU 86 2HB GLU 86 24.310 -25.162 13.867 646 HG2 GLU 86 1HG GLU 86 25.579 -24.270 11.849 647 HG3 GLU 86 2HG GLU 86 25.350 -25.865 11.111 648 H LEU 87 H LEU 87 28.305 -24.784 12.810 649 HA LEU 87 HA LEU 87 28.311 -22.615 14.847 650 HB2 LEU 87 1HB LEU 87 30.514 -23.586 13.003 651 HB3 LEU 87 2HB LEU 87 30.669 -22.317 14.214 652 HG LEU 87 HG LEU 87 30.067 -25.240 14.806 653 HD11 LEU 87 1HD1 LEU 87 32.624 -23.630 15.161 654 HD12 LEU 87 2HD1 LEU 87 32.341 -24.888 13.934 655 HD13 LEU 87 3HD1 LEU 87 32.367 -25.321 15.656 656 HD21 LEU 87 1HD2 LEU 87 30.654 -22.903 16.674 657 HD22 LEU 87 2HD2 LEU 87 30.579 -24.611 17.167 658 HD23 LEU 87 3HD2 LEU 87 29.124 -23.806 16.553 659 H ALA 88 H ALA 88 28.370 -20.497 14.292 660 HA ALA 88 HA ALA 88 27.316 -19.897 11.632 661 HB1 ALA 88 1HB ALA 88 26.332 -18.969 13.742 662 HB2 ALA 88 2HB ALA 88 27.834 -18.045 13.995 663 HB3 ALA 88 3HB ALA 88 26.809 -17.719 12.574 664 HA PRO 89 HA PRO 89 31.207 -18.382 10.137 665 HB2 PRO 89 1HB PRO 89 30.432 -16.839 8.044 666 HB3 PRO 89 2HB PRO 89 30.204 -18.612 8.033 667 HG2 PRO 89 1HG PRO 89 28.240 -16.457 8.770 668 HG3 PRO 89 2HG PRO 89 28.051 -17.803 7.599 669 HD2 PRO 89 1HD PRO 89 27.122 -17.971 10.135 670 HD3 PRO 89 2HD PRO 89 27.817 -19.397 9.289 671 HA PRO 90 HA PRO 90 31.894 -14.536 12.051 672 HB2 PRO 90 1HB PRO 90 33.875 -13.299 10.640 673 HB3 PRO 90 2HB PRO 90 34.149 -14.823 11.546 674 HG2 PRO 90 1HG PRO 90 33.523 -14.458 8.627 675 HG3 PRO 90 2HG PRO 90 34.868 -15.371 9.384 676 HD2 PRO 90 1HD PRO 90 32.614 -16.606 8.585 677 HD3 PRO 90 2HD PRO 90 33.431 -17.097 10.105 678 H LYS 91 H LYS 91 31.751 -12.234 12.052 679 HA LYS 91 HA LYS 91 29.770 -11.187 10.155 680 HB2 LYS 91 1HB LYS 91 31.202 -9.910 12.530 681 HB3 LYS 91 2HB LYS 91 29.843 -9.200 11.657 682 HG2 LYS 91 1HG LYS 91 28.387 -11.042 12.424 683 HG3 LYS 91 2HG LYS 91 29.754 -11.763 13.295 684 HD2 LYS 91 1HD LYS 91 29.954 -9.712 14.668 685 HD3 LYS 91 2HD LYS 91 28.580 -9.003 13.801 686 HE2 LYS 91 1HE LYS 91 27.136 -10.855 14.591 687 HE3 LYS 91 2HE LYS 91 28.507 -11.510 15.519 688 HZ1 LYS 91 1HZ LYS 91 27.366 -8.797 15.888 689 HZ2 LYS 91 2HZ LYS 91 28.553 -9.506 16.811 690 HZ3 LYS 91 3HZ LYS 91 27.012 -10.094 16.844 691 HA PRO 92 HA PRO 92 32.992 -8.944 7.946 692 HB2 PRO 92 1HB PRO 92 31.566 -6.827 6.919 693 HB3 PRO 92 2HB PRO 92 31.477 -8.479 6.246 694 HG2 PRO 92 1HG PRO 92 29.606 -7.077 8.056 695 HG3 PRO 92 2HG PRO 92 29.264 -8.122 6.668 696 HD2 PRO 92 1HD PRO 92 29.134 -8.908 9.300 697 HD3 PRO 92 2HD PRO 92 29.456 -10.032 7.931 698 HA PRO 93 HA PRO 93 34.151 -6.037 11.003 699 HB2 PRO 93 1HB PRO 93 35.846 -4.299 9.787 700 HB3 PRO 93 2HB PRO 93 36.231 -6.044 9.925 701 HG2 PRO 93 1HG PRO 93 34.999 -4.566 7.616 702 HG3 PRO 93 2HG PRO 93 36.427 -5.653 7.623 703 HD2 PRO 93 1HD PRO 93 33.961 -6.521 6.938 704 HD3 PRO 93 2HD PRO 93 35.105 -7.568 7.846 705 H LEU 94 H LEU 94 34.307 -3.686 11.660 706 HA LEU 94 HA LEU 94 32.384 -1.942 10.240 707 HB2 LEU 94 1HB LEU 94 32.403 -2.724 13.166 708 HB3 LEU 94 2HB LEU 94 31.750 -1.180 12.650 709 HG LEU 94 HG LEU 94 30.699 -3.898 11.815 710 HD11 LEU 94 1HD1 LEU 94 29.525 -1.692 13.522 711 HD12 LEU 94 2HD1 LEU 94 30.258 -3.192 14.154 712 HD13 LEU 94 3HD1 LEU 94 28.788 -3.271 13.158 713 HD21 LEU 94 1HD2 LEU 94 28.821 -2.582 10.852 714 HD22 LEU 94 2HD2 LEU 94 30.344 -2.299 10.014 715 HD23 LEU 94 3HD2 LEU 94 29.725 -1.084 11.160 716 HA PRO 95 HA PRO 95 35.523 1.124 11.081 717 HB2 PRO 95 1HB PRO 95 34.139 3.399 10.637 718 HB3 PRO 95 2HB PRO 95 34.389 2.209 9.319 719 HG2 PRO 95 1HG PRO 95 32.004 2.557 11.143 720 HG3 PRO 95 2HG PRO 95 32.040 2.472 9.351 721 HD2 PRO 95 1HD PRO 95 31.507 0.281 10.917 722 HD3 PRO 95 2HD PRO 95 32.353 0.163 9.353 723 H GLU 96 H GLU 96 35.904 3.176 12.354 724 HA GLU 96 HA GLU 96 34.792 2.951 15.081 725 HB2 GLU 96 1HB GLU 96 36.990 4.657 13.864 726 HB3 GLU 96 2HB GLU 96 36.463 4.789 15.550 727 HG2 GLU 96 1HG GLU 96 36.984 2.031 15.016 728 HG3 GLU 96 2HG GLU 96 38.348 2.980 14.401 729 H GLY 97 H GLY 97 32.676 3.570 13.672 730 HA2 GLY 97 1HA GLY 97 30.945 5.119 13.834 731 HA3 GLY 97 2HA GLY 97 32.053 6.259 14.599 732 H GLU 98 H GLU 98 30.898 7.852 13.353 733 HA GLU 98 HA GLU 98 31.871 8.054 10.533 734 HB2 GLU 98 1HB GLU 98 29.384 7.640 10.762 735 HB3 GLU 98 2HB GLU 98 29.279 9.140 11.698 736 HG2 GLU 98 1HG GLU 98 30.171 10.383 9.704 737 HG3 GLU 98 2HG GLU 98 30.144 8.867 8.789 738 H VAL 99 H VAL 99 32.731 10.056 9.960 739 HA VAL 99 HA VAL 99 33.279 11.903 12.202 740 HB VAL 99 HB VAL 99 34.435 11.857 9.369 741 HG11 VAL 99 1HG1 VAL 99 36.185 13.401 10.342 742 HG12 VAL 99 2HG1 VAL 99 34.574 14.131 10.381 743 HG13 VAL 99 3HG1 VAL 99 35.275 13.453 11.866 744 HG21 VAL 99 1HG2 VAL 99 35.146 9.825 10.625 745 HG22 VAL 99 2HG2 VAL 99 36.508 10.933 10.513 746 HG23 VAL 99 3HG2 VAL 99 35.601 10.802 12.027 747 HXT VAL 99 H02 VAL 99 30.933 14.036 11.241 Start of MODEL 26 1 H2 GLY 1 2H0 GLY 1 2.891 1.707 -2.251 2 H GLY 1 1H0 GLY 1 2.277 0.589 -1.176 3 HA2 GLY 1 1HA GLY 1 3.289 3.281 -0.350 4 HA3 GLY 1 2HA GLY 1 2.805 1.964 0.738 5 H SER 2 H SER 2 4.226 0.245 -1.396 6 HA SER 2 HA SER 2 6.703 -0.105 0.028 7 HB2 SER 2 1HB SER 2 6.033 -1.267 -2.681 8 HB3 SER 2 2HB SER 2 6.992 -1.988 -1.367 9 HG SER 2 HG SER 2 5.192 -2.773 -0.621 10 H MET 3 H MET 3 6.478 2.542 -1.261 11 HA MET 3 HA MET 3 8.437 2.493 -3.472 12 HB2 MET 3 1HB MET 3 6.939 4.725 -2.052 13 HB3 MET 3 2HB MET 3 8.063 4.985 -3.391 14 HG2 MET 3 1HG MET 3 5.544 3.305 -3.567 15 HG3 MET 3 2HG MET 3 5.699 4.991 -4.105 16 HE1 MET 3 1HE MET 3 5.695 3.197 -7.580 17 HE2 MET 3 2HE MET 3 4.687 2.824 -6.163 18 HE3 MET 3 3HE MET 3 5.020 4.521 -6.602 19 H LYS 4 H LYS 4 8.854 1.986 -0.345 20 HA LYS 4 HA LYS 4 11.363 3.604 -0.248 21 HB2 LYS 4 1HB LYS 4 9.423 2.937 2.002 22 HB3 LYS 4 2HB LYS 4 11.077 3.466 2.293 23 HG2 LYS 4 1HG LYS 4 8.962 5.088 0.821 24 HG3 LYS 4 2HG LYS 4 9.396 5.294 2.522 25 HD2 LYS 4 1HD LYS 4 11.305 5.698 0.170 26 HD3 LYS 4 2HD LYS 4 10.464 6.988 1.040 27 HE2 LYS 4 1HE LYS 4 11.615 6.317 3.146 28 HE3 LYS 4 2HE LYS 4 12.502 5.067 2.250 29 HZ1 LYS 4 1HZ LYS 4 13.815 7.068 2.489 30 HZ2 LYS 4 2HZ LYS 4 12.670 7.976 1.726 31 HZ3 LYS 4 3HZ LYS 4 13.483 6.811 0.894 32 H TYR 5 H TYR 5 13.101 2.456 -0.043 33 HA TYR 5 HA TYR 5 14.543 0.761 0.215 34 HB2 TYR 5 1HB TYR 5 12.567 0.194 2.422 35 HB3 TYR 5 2HB TYR 5 13.979 -0.796 2.165 36 HD1 TYR 5 HD1 TYR 5 16.270 0.701 1.767 37 HD2 TYR 5 HD2 TYR 5 12.809 1.876 4.051 38 HE1 TYR 5 HE1 TYR 5 17.677 2.265 3.091 39 HE2 TYR 5 HE2 TYR 5 14.238 3.446 5.373 40 HH TYR 5 HH TYR 5 17.764 3.716 4.821 41 H LEU 6 H LEU 6 14.875 -1.694 0.390 42 HA LEU 6 HA LEU 6 13.659 -2.883 -1.940 43 HB2 LEU 6 1HB LEU 6 15.192 -4.176 0.342 44 HB3 LEU 6 2HB LEU 6 14.855 -4.909 -1.211 45 HG LEU 6 HG LEU 6 16.678 -2.545 -0.785 46 HD11 LEU 6 1HD1 LEU 6 17.541 -4.645 0.215 47 HD12 LEU 6 2HD1 LEU 6 18.489 -4.171 -1.208 48 HD13 LEU 6 3HD1 LEU 6 17.296 -5.485 -1.335 49 HD21 LEU 6 1HD2 LEU 6 15.698 -2.522 -3.026 50 HD22 LEU 6 2HD2 LEU 6 16.138 -4.229 -3.257 51 HD23 LEU 6 3HD2 LEU 6 17.406 -2.990 -3.103 52 H ASN 7 H ASN 7 13.202 -3.175 1.548 53 HA ASN 7 HA ASN 7 11.632 -4.181 2.852 54 HB2 ASN 7 1HB ASN 7 10.349 -2.587 0.830 55 HB3 ASN 7 2HB ASN 7 9.277 -3.914 1.276 56 HD21 ASN 7 1HD2 ASN 7 9.580 -0.783 3.658 57 HD22 ASN 7 2HD2 ASN 7 10.115 -0.828 1.989 58 H VAL 8 H VAL 8 13.020 -6.164 1.830 59 HA VAL 8 HA VAL 8 11.053 -8.162 0.786 60 HB VAL 8 HB VAL 8 12.759 -9.182 -0.403 61 HG11 VAL 8 1HG1 VAL 8 14.199 -6.550 0.057 62 HG12 VAL 8 2HG1 VAL 8 14.314 -7.610 -1.364 63 HG13 VAL 8 3HG1 VAL 8 12.800 -6.740 -1.041 64 HG21 VAL 8 1HG2 VAL 8 14.553 -8.444 1.888 65 HG22 VAL 8 2HG2 VAL 8 14.137 -10.045 1.272 66 HG23 VAL 8 3HG2 VAL 8 15.234 -8.994 0.355 67 H LEU 9 H LEU 9 11.372 -10.407 1.743 68 HA LEU 9 HA LEU 9 11.971 -10.155 4.657 69 HB2 LEU 9 1HB LEU 9 10.600 -12.366 3.098 70 HB3 LEU 9 2HB LEU 9 10.842 -12.339 4.839 71 HG LEU 9 HG LEU 9 9.096 -10.438 3.242 72 HD11 LEU 9 1HD1 LEU 9 8.404 -12.672 5.194 73 HD12 LEU 9 2HD1 LEU 9 8.211 -12.730 3.424 74 HD13 LEU 9 3HD1 LEU 9 7.244 -11.591 4.384 75 HD21 LEU 9 1HD2 LEU 9 9.592 -10.609 6.240 76 HD22 LEU 9 2HD2 LEU 9 8.292 -9.668 5.481 77 HD23 LEU 9 3HD2 LEU 9 9.983 -9.244 5.170 78 H ALA 10 H ALA 10 13.568 -11.396 5.640 79 HA ALA 10 HA ALA 10 15.038 -13.333 3.906 80 HB1 ALA 10 1HB ALA 10 16.275 -11.217 3.836 81 HB2 ALA 10 2HB ALA 10 16.323 -11.167 5.616 82 HB3 ALA 10 3HB ALA 10 17.176 -12.456 4.725 83 H LYS 11 H LYS 11 15.885 -15.097 5.021 84 HA LYS 11 HA LYS 11 14.914 -15.349 7.837 85 HB2 LYS 11 1HB LYS 11 14.070 -17.050 6.355 86 HB3 LYS 11 2HB LYS 11 15.685 -17.433 5.765 87 HG2 LYS 11 1HG LYS 11 16.303 -18.479 7.788 88 HG3 LYS 11 2HG LYS 11 14.987 -17.726 8.695 89 HD2 LYS 11 1HD LYS 11 14.477 -19.731 6.486 90 HD3 LYS 11 2HD LYS 11 14.773 -20.205 8.174 91 HE2 LYS 11 1HE LYS 11 12.912 -18.538 8.797 92 HE3 LYS 11 2HE LYS 11 12.499 -18.539 7.074 93 HZ1 LYS 11 1HZ LYS 11 11.170 -20.112 8.327 94 HZ2 LYS 11 2HZ LYS 11 12.514 -20.915 8.839 95 HZ3 LYS 11 3HZ LYS 11 12.113 -20.924 7.238 96 H ALA 12 H ALA 12 16.250 -15.729 9.496 97 HA ALA 12 HA ALA 12 19.123 -15.408 9.158 98 HB1 ALA 12 1HB ALA 12 17.946 -14.561 11.146 99 HB2 ALA 12 2HB ALA 12 17.391 -16.201 11.543 100 HB3 ALA 12 3HB ALA 12 19.112 -15.802 11.622 101 H LEU 13 H LEU 13 20.588 -17.013 8.696 102 HA LEU 13 HA LEU 13 19.682 -19.845 8.842 103 HB2 LEU 13 1HB LEU 13 22.332 -18.607 8.040 104 HB3 LEU 13 2HB LEU 13 21.956 -20.312 7.982 105 HG LEU 13 HG LEU 13 21.756 -19.858 5.837 106 HD11 LEU 13 1HD1 LEU 13 19.484 -19.602 5.062 107 HD12 LEU 13 2HD1 LEU 13 18.992 -18.873 6.603 108 HD13 LEU 13 3HD1 LEU 13 19.485 -20.583 6.538 109 HD21 LEU 13 1HD2 LEU 13 20.679 -17.106 6.348 110 HD22 LEU 13 2HD2 LEU 13 21.303 -17.771 4.819 111 HD23 LEU 13 3HD2 LEU 13 22.406 -17.500 6.165 112 H TYR 14 H TYR 14 21.321 -17.501 10.703 113 HA TYR 14 HA TYR 14 22.089 -19.559 12.696 114 HB2 TYR 14 1HB TYR 14 23.916 -17.328 11.727 115 HB3 TYR 14 2HB TYR 14 24.265 -18.492 13.011 116 HD1 TYR 14 HD1 TYR 14 24.125 -17.931 9.380 117 HD2 TYR 14 HD2 TYR 14 24.689 -20.901 12.443 118 HE1 TYR 14 HE1 TYR 14 25.029 -19.517 7.680 119 HE2 TYR 14 HE2 TYR 14 25.629 -22.457 10.750 120 HH TYR 14 HH TYR 14 26.154 -22.788 8.553 121 H ASP 15 H ASP 15 22.478 -18.394 14.841 122 HA ASP 15 HA ASP 15 20.539 -16.200 15.085 123 HB2 ASP 15 1HB ASP 15 20.980 -16.394 17.467 124 HB3 ASP 15 2HB ASP 15 20.653 -17.989 16.788 125 H ASN 16 H ASN 16 21.262 -14.249 16.382 126 HA ASN 16 HA ASN 16 24.088 -13.536 15.867 127 HB2 ASN 16 1HB ASN 16 22.577 -12.831 13.903 128 HB3 ASN 16 2HB ASN 16 21.850 -11.677 15.027 129 HD21 ASN 16 1HD2 ASN 16 24.402 -9.365 14.474 130 HD22 ASN 16 2HD2 ASN 16 22.712 -9.691 14.851 131 H VAL 17 H VAL 17 24.898 -12.415 17.501 132 HA VAL 17 HA VAL 17 23.018 -11.285 19.519 133 HB VAL 17 HB VAL 17 25.959 -12.106 19.782 134 HG11 VAL 17 1HG1 VAL 17 25.431 -10.163 21.213 135 HG12 VAL 17 2HG1 VAL 17 24.008 -11.011 21.867 136 HG13 VAL 17 3HG1 VAL 17 25.644 -11.619 22.203 137 HG21 VAL 17 1HG2 VAL 17 24.469 -14.068 19.681 138 HG22 VAL 17 2HG2 VAL 17 25.097 -13.865 21.328 139 HG23 VAL 17 3HG2 VAL 17 23.430 -13.369 20.937 140 H ALA 18 H ALA 18 22.915 -9.151 19.451 141 HA ALA 18 HA ALA 18 24.472 -7.683 17.514 142 HB1 ALA 18 1HB ALA 18 22.137 -7.120 17.924 143 HB2 ALA 18 2HB ALA 18 22.484 -6.801 19.642 144 HB3 ALA 18 3HB ALA 18 23.169 -5.746 18.383 145 H GLU 19 H GLU 19 26.454 -6.947 17.853 146 HA GLU 19 HA GLU 19 27.414 -6.636 20.679 147 HB2 GLU 19 1HB GLU 19 28.868 -6.877 18.017 148 HB3 GLU 19 2HB GLU 19 29.668 -6.616 19.577 149 HG2 GLU 19 1HG GLU 19 28.776 -8.736 20.403 150 HG3 GLU 19 2HG GLU 19 27.930 -8.999 18.875 151 H SER 20 H SER 20 26.625 -4.984 17.740 152 HA SER 20 HA SER 20 27.764 -2.422 18.798 153 HB2 SER 20 1HB SER 20 26.845 -3.216 16.001 154 HB3 SER 20 2HB SER 20 27.474 -1.620 16.463 155 HG SER 20 HG SER 20 28.939 -3.977 16.977 156 HA PRO 21 HA PRO 21 23.669 -1.223 19.678 157 HB2 PRO 21 1HB PRO 21 23.717 1.492 19.312 158 HB3 PRO 21 2HB PRO 21 24.583 0.679 20.656 159 HG2 PRO 21 1HG PRO 21 25.662 1.568 17.986 160 HG3 PRO 21 2HG PRO 21 26.319 1.864 19.625 161 HD2 PRO 21 1HD PRO 21 27.280 -0.084 18.087 162 HD3 PRO 21 2HD PRO 21 27.101 -0.290 19.865 163 H ASP 22 H ASP 22 24.994 -0.685 16.509 164 HA ASP 22 HA ASP 22 22.432 0.190 15.395 165 HB2 ASP 22 1HB ASP 22 25.111 0.577 14.714 166 HB3 ASP 22 2HB ASP 22 24.587 -0.632 13.556 167 H GLU 23 H GLU 23 23.815 -2.729 16.338 168 HA GLU 23 HA GLU 23 22.986 -4.216 13.944 169 HB2 GLU 23 1HB GLU 23 25.211 -4.499 15.099 170 HB3 GLU 23 2HB GLU 23 24.343 -5.206 16.466 171 HG2 GLU 23 1HG GLU 23 23.526 -7.012 15.021 172 HG3 GLU 23 2HG GLU 23 24.335 -6.276 13.636 173 H LEU 24 H LEU 24 21.567 -5.988 13.960 174 HA LEU 24 HA LEU 24 19.551 -5.918 16.159 175 HB2 LEU 24 1HB LEU 24 19.526 -7.185 13.417 176 HB3 LEU 24 2HB LEU 24 18.268 -7.443 14.612 177 HG LEU 24 HG LEU 24 18.998 -4.774 13.382 178 HD11 LEU 24 1HD1 LEU 24 17.947 -6.214 11.764 179 HD12 LEU 24 2HD1 LEU 24 16.772 -5.004 12.298 180 HD13 LEU 24 3HD1 LEU 24 16.674 -6.665 12.920 181 HD21 LEU 24 1HD2 LEU 24 16.863 -4.019 14.468 182 HD22 LEU 24 2HD2 LEU 24 18.152 -4.418 15.618 183 HD23 LEU 24 3HD2 LEU 24 16.812 -5.565 15.346 184 H SER 25 H SER 25 18.952 -7.631 17.358 185 HA SER 25 HA SER 25 20.713 -10.022 17.244 186 HB2 SER 25 1HB SER 25 19.601 -10.212 19.666 187 HB3 SER 25 2HB SER 25 21.033 -9.202 19.376 188 HG SER 25 HG SER 25 19.532 -7.960 20.459 189 H PHE 26 H PHE 26 19.818 -11.873 16.765 190 HA PHE 26 HA PHE 26 16.936 -12.398 17.131 191 HB2 PHE 26 1HB PHE 26 16.640 -13.015 14.730 192 HB3 PHE 26 2HB PHE 26 16.826 -11.292 15.023 193 HD1 PHE 26 HD1 PHE 26 18.748 -14.321 13.929 194 HD2 PHE 26 HD2 PHE 26 18.450 -10.023 13.936 195 HE1 PHE 26 HE1 PHE 26 20.574 -14.194 12.251 196 HE2 PHE 26 HE2 PHE 26 20.251 -9.900 12.235 197 HZ PHE 26 HZ PHE 26 21.311 -12.000 11.381 198 H ARG 27 H ARG 27 16.407 -14.675 16.195 199 HA ARG 27 HA ARG 27 18.704 -16.444 16.920 200 HB2 ARG 27 1HB ARG 27 16.641 -16.428 18.367 201 HB3 ARG 27 2HB ARG 27 15.710 -16.984 16.977 202 HG2 ARG 27 1HG ARG 27 16.134 -18.877 18.361 203 HG3 ARG 27 2HG ARG 27 17.141 -19.044 16.926 204 HD2 ARG 27 1HD ARG 27 18.583 -19.646 18.681 205 HD3 ARG 27 2HD ARG 27 19.036 -17.970 18.336 206 HE ARG 27 HE ARG 27 17.018 -18.069 20.375 207 HH11 ARG 27 1HH1 ARG 27 20.489 -18.627 19.930 208 HH12 ARG 27 2HH1 ARG 27 20.836 -18.351 21.612 209 HH21 ARG 27 1HH2 ARG 27 17.550 -17.735 22.505 210 HH22 ARG 27 2HH2 ARG 27 19.204 -17.849 23.040 211 H LYS 28 H LYS 28 18.862 -18.490 15.685 212 HA LYS 28 HA LYS 28 18.690 -18.241 12.856 213 HB2 LYS 28 1HB LYS 28 20.100 -19.905 14.014 214 HB3 LYS 28 2HB LYS 28 18.670 -20.665 14.717 215 HG2 LYS 28 1HG LYS 28 17.939 -21.446 12.548 216 HG3 LYS 28 2HG LYS 28 19.258 -20.579 11.754 217 HD2 LYS 28 1HD LYS 28 20.893 -21.920 13.051 218 HD3 LYS 28 2HD LYS 28 19.554 -22.826 13.780 219 HE2 LYS 28 1HE LYS 28 19.540 -24.220 12.024 220 HE3 LYS 28 2HE LYS 28 19.255 -22.854 10.916 221 HZ1 LYS 28 1HZ LYS 28 21.895 -23.712 11.938 222 HZ2 LYS 28 2HZ LYS 28 21.634 -22.452 10.900 223 HZ3 LYS 28 3HZ LYS 28 21.335 -24.014 10.427 224 H GLY 29 H GLY 29 17.076 -18.511 11.450 225 HA2 GLY 29 1HA GLY 29 15.098 -19.528 10.664 226 HA3 GLY 29 2HA GLY 29 14.617 -19.917 12.317 227 H ASP 30 H ASP 30 15.569 -16.817 12.677 228 HA ASP 30 HA ASP 30 12.858 -15.844 12.774 229 HB2 ASP 30 1HB ASP 30 15.343 -15.036 13.786 230 HB3 ASP 30 2HB ASP 30 14.906 -13.760 12.666 231 H ILE 31 H ILE 31 12.111 -13.883 11.677 232 HA ILE 31 HA ILE 31 13.202 -13.675 8.892 233 HB ILE 31 HB ILE 31 10.289 -13.413 9.770 234 HG12 ILE 31 1HG1 ILE 31 10.928 -15.757 9.670 235 HG13 ILE 31 2HG1 ILE 31 9.888 -15.356 8.308 236 HG21 ILE 31 1HG2 ILE 31 9.902 -13.225 7.239 237 HG22 ILE 31 2HG2 ILE 31 10.679 -11.823 8.000 238 HG23 ILE 31 3HG2 ILE 31 11.662 -12.979 7.071 239 HD11 ILE 31 1HD1 ILE 31 12.138 -15.091 6.962 240 HD12 ILE 31 2HD1 ILE 31 12.819 -16.035 8.316 241 HD13 ILE 31 3HD1 ILE 31 11.499 -16.702 7.327 242 H MET 32 H MET 32 13.937 -11.709 8.422 243 HA MET 32 HA MET 32 12.713 -9.393 9.872 244 HB2 MET 32 1HB MET 32 14.921 -8.286 9.806 245 HB3 MET 32 2HB MET 32 14.900 -9.717 10.817 246 HG2 MET 32 1HG MET 32 15.754 -10.813 8.495 247 HG3 MET 32 2HG MET 32 16.415 -9.186 8.345 248 HE1 MET 32 1HE MET 32 15.703 -11.622 11.510 249 HE2 MET 32 2HE MET 32 16.359 -12.586 10.159 250 HE3 MET 32 3HE MET 32 17.331 -12.327 11.623 251 H THR 33 H THR 33 12.693 -7.462 8.743 252 HA THR 33 HA THR 33 12.277 -7.885 5.845 253 HB THR 33 HB THR 33 11.855 -5.424 7.600 254 HG1 THR 33 HG1 THR 33 9.605 -6.124 7.243 255 HG21 THR 33 1HG2 THR 33 12.092 -4.805 5.264 256 HG22 THR 33 2HG2 THR 33 10.397 -4.675 5.757 257 HG23 THR 33 3HG2 THR 33 10.923 -6.064 4.781 258 H VAL 34 H VAL 34 14.030 -7.629 4.501 259 HA VAL 34 HA VAL 34 16.291 -5.972 5.382 260 HB VAL 34 HB VAL 34 15.896 -7.280 2.692 261 HG11 VAL 34 1HG1 VAL 34 18.364 -6.201 4.093 262 HG12 VAL 34 2HG1 VAL 34 18.376 -7.141 2.581 263 HG13 VAL 34 3HG1 VAL 34 17.593 -5.552 2.624 264 HG21 VAL 34 1HG2 VAL 34 17.146 -8.315 5.240 265 HG22 VAL 34 2HG2 VAL 34 15.787 -9.009 4.318 266 HG23 VAL 34 3HG2 VAL 34 17.421 -9.030 3.643 267 H LEU 35 H LEU 35 16.433 -3.927 5.092 268 HA LEU 35 HA LEU 35 14.483 -2.591 3.322 269 HB2 LEU 35 1HB LEU 35 16.461 -1.569 5.379 270 HB3 LEU 35 2HB LEU 35 15.280 -0.575 4.535 271 HG LEU 35 HG LEU 35 14.580 -2.893 6.366 272 HD11 LEU 35 1HD1 LEU 35 14.664 0.086 6.821 273 HD12 LEU 35 2HD1 LEU 35 15.643 -1.179 7.609 274 HD13 LEU 35 3HD1 LEU 35 13.896 -1.093 7.911 275 HD21 LEU 35 1HD2 LEU 35 12.310 -1.907 6.334 276 HD22 LEU 35 2HD2 LEU 35 12.811 -2.472 4.736 277 HD23 LEU 35 3HD2 LEU 35 12.846 -0.732 5.111 278 H GLU 36 H GLU 36 18.032 -2.760 3.949 279 HA GLU 36 HA GLU 36 18.400 -2.544 1.049 280 HB2 GLU 36 1HB GLU 36 19.709 -0.637 0.936 281 HB3 GLU 36 2HB GLU 36 18.345 -0.156 1.927 282 HG2 GLU 36 1HG GLU 36 19.781 -0.537 3.886 283 HG3 GLU 36 2HG GLU 36 21.128 -0.702 2.760 284 H ARG 37 H ARG 37 20.886 -2.707 0.600 285 HA ARG 37 HA ARG 37 22.122 -4.439 2.705 286 HB2 ARG 37 1HB ARG 37 22.333 -4.729 -0.304 287 HB3 ARG 37 2HB ARG 37 23.136 -5.736 0.899 288 HG2 ARG 37 1HG ARG 37 20.853 -6.490 1.668 289 HG3 ARG 37 2HG ARG 37 20.178 -5.618 0.283 290 HD2 ARG 37 1HD ARG 37 22.154 -7.926 0.184 291 HD3 ARG 37 2HD ARG 37 20.462 -7.969 -0.315 292 HE ARG 37 HE ARG 37 21.007 -6.694 -2.254 293 HH11 ARG 37 1HH1 ARG 37 23.912 -7.362 -0.358 294 HH12 ARG 37 2HH1 ARG 37 24.976 -6.817 -1.621 295 HH21 ARG 37 1HH2 ARG 37 22.451 -6.090 -3.850 296 HH22 ARG 37 2HH2 ARG 37 24.170 -6.162 -3.552 297 H ASP 38 H ASP 38 24.398 -4.222 2.780 298 HA ASP 38 HA ASP 38 26.361 -3.138 2.723 299 HB2 ASP 38 1HB ASP 38 25.632 -2.311 -0.097 300 HB3 ASP 38 2HB ASP 38 27.251 -2.546 0.578 301 H THR 39 H THR 39 24.182 -1.980 3.852 302 HA THR 39 HA THR 39 23.625 0.720 3.142 303 HB THR 39 HB THR 39 22.101 -0.623 4.505 304 HG1 THR 39 HG1 THR 39 21.716 1.431 5.016 305 HG21 THR 39 1HG2 THR 39 24.302 -0.673 6.549 306 HG22 THR 39 2HG2 THR 39 23.538 -2.041 5.703 307 HG23 THR 39 3HG2 THR 39 22.605 -1.086 6.861 308 H GLN 40 H GLN 40 24.266 2.650 4.052 309 HA GLN 40 HA GLN 40 25.746 4.189 4.799 310 HB2 GLN 40 1HB GLN 40 26.621 2.290 6.956 311 HB3 GLN 40 2HB GLN 40 26.528 4.046 7.000 312 HG2 GLN 40 1HG GLN 40 23.988 3.711 6.717 313 HG3 GLN 40 2HG GLN 40 24.296 2.020 7.119 314 HE21 GLN 40 1HE2 GLN 40 24.453 2.557 10.539 315 HE22 GLN 40 2HE2 GLN 40 24.417 1.448 9.195 316 H GLY 41 H GLY 41 26.771 1.797 3.045 317 HA2 GLY 41 1HA GLY 41 28.784 1.614 1.877 318 HA3 GLY 41 2HA GLY 41 29.549 2.748 3.007 319 H LEU 42 H LEU 42 27.779 0.311 4.630 320 HA LEU 42 HA LEU 42 30.287 -0.983 5.468 321 HB2 LEU 42 1HB LEU 42 27.413 -1.339 6.369 322 HB3 LEU 42 2HB LEU 42 28.840 -1.980 7.171 323 HG LEU 42 HG LEU 42 28.285 0.982 6.850 324 HD11 LEU 42 1HD1 LEU 42 26.500 -0.056 8.106 325 HD12 LEU 42 2HD1 LEU 42 27.548 0.885 9.188 326 HD13 LEU 42 3HD1 LEU 42 27.688 -0.889 9.149 327 HD21 LEU 42 1HD2 LEU 42 29.877 1.144 8.740 328 HD22 LEU 42 2HD2 LEU 42 30.619 0.447 7.284 329 HD23 LEU 42 3HD2 LEU 42 30.144 -0.610 8.638 330 H ASP 43 H ASP 43 30.755 -2.125 3.538 331 HA ASP 43 HA ASP 43 28.826 -3.602 2.069 332 HB2 ASP 43 1HB ASP 43 31.355 -3.082 1.545 333 HB3 ASP 43 2HB ASP 43 31.610 -4.642 2.357 334 H GLY 44 H GLY 44 28.004 -5.612 2.229 335 HA2 GLY 44 1HA GLY 44 27.838 -7.768 3.063 336 HA3 GLY 44 2HA GLY 44 29.144 -7.470 4.202 337 H TRP 45 H TRP 45 27.521 -4.864 5.013 338 HA TRP 45 HA TRP 45 25.885 -6.264 7.039 339 HB2 TRP 45 1HB TRP 45 26.939 -3.477 6.597 340 HB3 TRP 45 2HB TRP 45 25.714 -3.766 7.788 341 HD1 TRP 45 HD1 TRP 45 29.404 -3.882 7.318 342 HE1 TRP 45 HE1 TRP 45 30.608 -4.826 9.354 343 HE3 TRP 45 HE3 TRP 45 25.313 -5.805 9.673 344 HZ2 TRP 45 HZ2 TRP 45 29.862 -6.301 11.708 345 HZ3 TRP 45 HZ3 TRP 45 25.608 -6.964 11.860 346 HH2 TRP 45 HH2 TRP 45 27.862 -7.212 12.853 347 H TRP 46 H TRP 46 23.693 -6.342 6.893 348 HA TRP 46 HA TRP 46 22.440 -4.770 4.671 349 HB2 TRP 46 1HB TRP 46 21.631 -7.420 5.920 350 HB3 TRP 46 2HB TRP 46 20.711 -6.562 4.680 351 HD1 TRP 46 HD1 TRP 46 24.179 -6.113 3.627 352 HE1 TRP 46 HE1 TRP 46 24.972 -7.790 1.915 353 HE3 TRP 46 HE3 TRP 46 20.384 -9.526 4.196 354 HZ2 TRP 46 HZ2 TRP 46 24.097 -10.333 0.914 355 HZ3 TRP 46 HZ3 TRP 46 20.454 -11.610 2.833 356 HH2 TRP 46 HH2 TRP 46 22.275 -11.990 1.184 357 H LEU 47 H LEU 47 20.949 -3.284 5.196 358 HA LEU 47 HA LEU 47 20.270 -2.853 8.009 359 HB2 LEU 47 1HB LEU 47 20.552 -0.974 6.407 360 HB3 LEU 47 2HB LEU 47 19.233 -1.613 5.437 361 HG LEU 47 HG LEU 47 17.655 -1.145 7.239 362 HD11 LEU 47 1HD1 LEU 47 19.003 -1.412 9.213 363 HD12 LEU 47 2HD1 LEU 47 18.392 0.245 9.185 364 HD13 LEU 47 3HD1 LEU 47 20.076 -0.081 8.723 365 HD21 LEU 47 1HD2 LEU 47 17.722 1.304 7.097 366 HD22 LEU 47 2HD2 LEU 47 18.136 0.573 5.533 367 HD23 LEU 47 3HD2 LEU 47 19.421 1.237 6.570 368 H CYS 48 H CYS 48 18.699 -3.950 9.011 369 HA CYS 48 HA CYS 48 16.345 -4.730 7.362 370 HB2 CYS 48 1HB CYS 48 17.512 -6.524 9.510 371 HB3 CYS 48 2HB CYS 48 16.271 -6.912 8.319 372 HG CYS 48 HG CYS 48 19.464 -6.221 7.783 373 H SER 49 H SER 49 14.528 -5.438 8.783 374 HA SER 49 HA SER 49 14.528 -3.925 11.351 375 HB2 SER 49 1HB SER 49 12.826 -2.641 10.693 376 HB3 SER 49 2HB SER 49 13.162 -3.166 9.049 377 HG SER 49 HG SER 49 11.723 -5.020 9.626 378 H LEU 50 H LEU 50 13.915 -5.096 13.026 379 HA LEU 50 HA LEU 50 12.241 -7.540 12.606 380 HB2 LEU 50 1HB LEU 50 14.667 -8.216 12.612 381 HB3 LEU 50 2HB LEU 50 14.850 -7.421 14.173 382 HG LEU 50 HG LEU 50 12.710 -9.158 14.574 383 HD11 LEU 50 1HD1 LEU 50 14.840 -10.645 13.096 384 HD12 LEU 50 2HD1 LEU 50 13.270 -10.173 12.393 385 HD13 LEU 50 3HD1 LEU 50 13.327 -11.276 13.785 386 HD21 LEU 50 1HD2 LEU 50 15.663 -9.486 15.174 387 HD22 LEU 50 2HD2 LEU 50 14.359 -10.446 15.916 388 HD23 LEU 50 3HD2 LEU 50 14.443 -8.692 16.193 389 H HIS 51 H HIS 51 10.739 -7.677 14.215 390 HA HIS 51 HA HIS 51 9.448 -7.049 16.005 391 HB2 HIS 51 1HB HIS 51 12.127 -6.523 17.351 392 HB3 HIS 51 2HB HIS 51 10.573 -6.699 18.168 393 HD1 HIS 51 HD1 HIS 51 12.930 -8.600 18.845 394 HD2 HIS 51 HD2 HIS 51 9.975 -9.434 16.033 395 HE1 HIS 51 HE1 HIS 51 12.822 -11.121 18.607 396 H GLY 52 H GLY 52 10.223 -4.934 14.037 397 HA2 GLY 52 1HA GLY 52 9.594 -2.708 13.835 398 HA3 GLY 52 2HA GLY 52 9.197 -2.680 15.556 399 H ARG 53 H ARG 53 12.354 -3.853 15.123 400 HA ARG 53 HA ARG 53 13.482 -1.156 15.754 401 HB2 ARG 53 1HB ARG 53 13.572 -3.399 17.280 402 HB3 ARG 53 2HB ARG 53 14.955 -3.728 16.253 403 HG2 ARG 53 1HG ARG 53 14.663 -1.128 17.798 404 HG3 ARG 53 2HG ARG 53 15.377 -2.588 18.498 405 HD2 ARG 53 1HD ARG 53 16.929 -2.583 16.425 406 HD3 ARG 53 2HD ARG 53 16.431 -0.889 16.243 407 HE ARG 53 HE ARG 53 17.199 -1.325 18.937 408 HH11 ARG 53 1HH1 ARG 53 18.763 -1.146 15.749 409 HH12 ARG 53 2HH1 ARG 53 20.301 -0.702 16.468 410 HH21 ARG 53 1HH2 ARG 53 19.188 -0.733 19.712 411 HH22 ARG 53 2HH2 ARG 53 20.530 -0.475 18.616 412 H GLN 54 H GLN 54 15.077 -0.456 14.398 413 HA GLN 54 HA GLN 54 15.630 -2.151 12.011 414 HB2 GLN 54 1HB GLN 54 15.149 0.682 12.480 415 HB3 GLN 54 2HB GLN 54 16.672 0.422 11.618 416 HG2 GLN 54 1HG GLN 54 15.479 -0.891 9.933 417 HG3 GLN 54 2HG GLN 54 13.964 -0.649 10.815 418 HE21 GLN 54 1HE2 GLN 54 15.625 2.700 9.077 419 HE22 GLN 54 2HE2 GLN 54 16.655 1.541 9.878 420 H GLY 55 H GLY 55 17.784 -2.484 11.311 421 HA2 GLY 55 1HA GLY 55 20.031 -1.195 12.442 422 HA3 GLY 55 2HA GLY 55 19.737 -2.663 13.386 423 H ILE 56 H ILE 56 22.107 -2.519 12.156 424 HA ILE 56 HA ILE 56 21.899 -3.754 9.485 425 HB ILE 56 HB ILE 56 24.363 -3.678 9.442 426 HG12 ILE 56 1HG1 ILE 56 24.098 -2.739 12.345 427 HG13 ILE 56 2HG1 ILE 56 24.742 -4.292 11.827 428 HG21 ILE 56 1HG2 ILE 56 23.435 -1.051 10.727 429 HG22 ILE 56 2HG2 ILE 56 24.597 -1.306 9.403 430 HG23 ILE 56 3HG2 ILE 56 22.867 -1.567 9.111 431 HD11 ILE 56 1HD1 ILE 56 26.544 -2.994 10.597 432 HD12 ILE 56 2HD1 ILE 56 25.948 -1.541 11.432 433 HD13 ILE 56 3HD1 ILE 56 26.583 -2.903 12.370 434 H VAL 57 H VAL 57 22.822 -5.767 8.963 435 HA VAL 57 HA VAL 57 23.091 -7.747 11.181 436 HB VAL 57 HB VAL 57 21.312 -8.068 8.742 437 HG11 VAL 57 1HG1 VAL 57 20.599 -10.175 9.805 438 HG12 VAL 57 2HG1 VAL 57 22.266 -10.161 9.207 439 HG13 VAL 57 3HG1 VAL 57 21.940 -9.963 10.942 440 HG21 VAL 57 1HG2 VAL 57 20.607 -7.723 11.648 441 HG22 VAL 57 2HG2 VAL 57 20.181 -6.640 10.310 442 HG23 VAL 57 3HG2 VAL 57 19.445 -8.252 10.404 443 HA PRO 58 HA PRO 58 26.335 -8.813 8.314 444 HB2 PRO 58 1HB PRO 58 27.039 -11.319 9.187 445 HB3 PRO 58 2HB PRO 58 27.446 -9.830 10.098 446 HG2 PRO 58 1HG PRO 58 25.147 -11.717 10.519 447 HG3 PRO 58 2HG PRO 58 26.299 -11.066 11.719 448 HD2 PRO 58 1HD PRO 58 23.849 -9.994 11.346 449 HD3 PRO 58 2HD PRO 58 25.257 -8.975 11.739 450 H GLY 59 H GLY 59 25.852 -9.262 6.232 451 HA2 GLY 59 1HA GLY 59 23.591 -10.730 5.416 452 HA3 GLY 59 2HA GLY 59 24.967 -10.299 4.392 453 H ASN 60 H ASN 60 26.828 -11.891 6.144 454 HA ASN 60 HA ASN 60 26.693 -14.348 4.707 455 HB2 ASN 60 1HB ASN 60 28.607 -13.069 6.157 456 HB3 ASN 60 2HB ASN 60 28.145 -14.334 7.306 457 HD21 ASN 60 1HD2 ASN 60 29.072 -16.925 4.819 458 HD22 ASN 60 2HD2 ASN 60 27.631 -16.494 5.722 459 H ARG 61 H ARG 61 24.909 -13.330 7.501 460 HA ARG 61 HA ARG 61 24.345 -16.200 8.182 461 HB2 ARG 61 1HB ARG 61 23.948 -13.684 9.845 462 HB3 ARG 61 2HB ARG 61 23.526 -15.328 10.347 463 HG2 ARG 61 1HG ARG 61 25.936 -15.963 10.102 464 HG3 ARG 61 2HG ARG 61 26.314 -14.258 9.796 465 HD2 ARG 61 1HD ARG 61 25.358 -13.655 11.994 466 HD3 ARG 61 2HD ARG 61 24.977 -15.364 12.285 467 HE ARG 61 HE ARG 61 27.766 -15.077 11.665 468 HH11 ARG 61 1HH1 ARG 61 25.495 -14.531 14.332 469 HH12 ARG 61 2HH1 ARG 61 26.761 -14.658 15.528 470 HH21 ARG 61 1HH2 ARG 61 29.278 -15.249 13.226 471 HH22 ARG 61 2HH2 ARG 61 28.868 -15.051 14.917 472 H LEU 62 H LEU 62 23.156 -14.005 6.149 473 HA LEU 62 HA LEU 62 20.325 -14.631 6.880 474 HB2 LEU 62 1HB LEU 62 21.649 -12.127 5.994 475 HB3 LEU 62 2HB LEU 62 20.108 -12.498 5.239 476 HG LEU 62 HG LEU 62 20.602 -12.181 8.196 477 HD11 LEU 62 1HD1 LEU 62 20.685 -10.112 6.877 478 HD12 LEU 62 2HD1 LEU 62 19.246 -10.156 7.910 479 HD13 LEU 62 3HD1 LEU 62 19.098 -10.497 6.166 480 HD21 LEU 62 1HD2 LEU 62 18.833 -13.738 8.052 481 HD22 LEU 62 2HD2 LEU 62 18.076 -12.885 6.697 482 HD23 LEU 62 3HD2 LEU 62 18.071 -12.176 8.321 483 H LYS 63 H LYS 63 18.848 -15.006 5.327 484 HA LYS 63 HA LYS 63 19.922 -15.370 2.554 485 HB2 LYS 63 1HB LYS 63 19.661 -17.577 3.598 486 HB3 LYS 63 2HB LYS 63 17.992 -17.206 4.027 487 HG2 LYS 63 1HG LYS 63 17.345 -17.123 1.681 488 HG3 LYS 63 2HG LYS 63 19.029 -17.324 1.169 489 HD2 LYS 63 1HD LYS 63 17.517 -19.384 2.814 490 HD3 LYS 63 2HD LYS 63 17.609 -19.402 1.042 491 HE2 LYS 63 1HE LYS 63 20.094 -19.429 1.204 492 HE3 LYS 63 2HE LYS 63 19.949 -19.548 2.961 493 HZ1 LYS 63 1HZ LYS 63 18.814 -21.662 2.671 494 HZ2 LYS 63 2HZ LYS 63 20.300 -21.705 1.954 495 HZ3 LYS 63 3HZ LYS 63 18.943 -21.554 1.031 496 H ILE 64 H ILE 64 18.942 -14.092 1.211 497 HA ILE 64 HA ILE 64 16.512 -12.702 1.877 498 HB ILE 64 HB ILE 64 17.840 -13.107 -0.840 499 HG12 ILE 64 1HG1 ILE 64 19.411 -12.110 0.804 500 HG13 ILE 64 2HG1 ILE 64 18.995 -11.023 -0.505 501 HG21 ILE 64 1HG2 ILE 64 15.622 -12.265 -1.145 502 HG22 ILE 64 2HG2 ILE 64 15.819 -11.112 0.182 503 HG23 ILE 64 3HG2 ILE 64 16.724 -10.882 -1.327 504 HD11 ILE 64 1HD1 ILE 64 19.082 -9.773 1.577 505 HD12 ILE 64 2HD1 ILE 64 17.407 -9.802 1.013 506 HD13 ILE 64 3HD1 ILE 64 17.921 -10.878 2.336 507 H LEU 65 H LEU 65 14.449 -13.352 1.602 508 HA LEU 65 HA LEU 65 14.004 -15.912 0.136 509 HB2 LEU 65 1HB LEU 65 12.131 -14.392 1.973 510 HB3 LEU 65 2HB LEU 65 11.911 -16.025 1.353 511 HG LEU 65 HG LEU 65 14.033 -15.120 3.335 512 HD11 LEU 65 1HD1 LEU 65 12.705 -16.378 4.948 513 HD12 LEU 65 2HD1 LEU 65 11.526 -16.800 3.689 514 HD13 LEU 65 3HD1 LEU 65 11.737 -15.108 4.203 515 HD21 LEU 65 1HD2 LEU 65 14.968 -16.984 2.084 516 HD22 LEU 65 2HD2 LEU 65 13.450 -17.909 2.245 517 HD23 LEU 65 3HD2 LEU 65 14.457 -17.577 3.674 518 H VAL 66 H VAL 66 14.098 -15.025 -1.994 519 HA VAL 66 HA VAL 66 12.328 -12.814 -2.709 520 HB VAL 66 HB VAL 66 13.887 -14.708 -4.541 521 HG11 VAL 66 1HG1 VAL 66 13.676 -12.840 -6.187 522 HG12 VAL 66 2HG1 VAL 66 12.104 -13.527 -5.742 523 HG13 VAL 66 3HG1 VAL 66 12.624 -11.973 -5.044 524 HG21 VAL 66 1HG2 VAL 66 14.659 -11.994 -3.393 525 HG22 VAL 66 2HG2 VAL 66 15.440 -13.558 -3.052 526 HG23 VAL 66 3HG2 VAL 66 15.548 -12.851 -4.674 527 H GLY 67 H GLY 67 10.186 -13.185 -2.668 528 HA2 GLY 67 1HA GLY 67 9.189 -15.723 -3.911 529 HA3 GLY 67 2HA GLY 67 8.428 -14.919 -2.535 530 H MET 68 H MET 68 9.647 -13.613 -5.657 531 HA MET 68 HA MET 68 6.856 -12.691 -6.218 532 HB2 MET 68 1HB MET 68 7.697 -10.534 -6.925 533 HB3 MET 68 2HB MET 68 8.187 -10.853 -5.259 534 HG2 MET 68 1HG MET 68 10.454 -11.460 -6.029 535 HG3 MET 68 2HG MET 68 9.959 -11.193 -7.707 536 HE1 MET 68 1HE MET 68 10.690 -7.928 -4.520 537 HE2 MET 68 2HE MET 68 9.394 -9.127 -4.290 538 HE3 MET 68 3HE MET 68 11.095 -9.653 -4.363 539 H TYR 69 H TYR 69 8.721 -14.905 -7.324 540 HA TYR 69 HA TYR 69 8.391 -14.095 -10.173 541 HB2 TYR 69 1HB TYR 69 10.833 -15.405 -8.931 542 HB3 TYR 69 2HB TYR 69 10.526 -15.309 -10.671 543 HD1 TYR 69 HD1 TYR 69 9.658 -12.668 -11.290 544 HD2 TYR 69 HD2 TYR 69 12.458 -13.844 -8.230 545 HE1 TYR 69 HE1 TYR 69 10.694 -10.406 -11.357 546 HE2 TYR 69 HE2 TYR 69 13.492 -11.571 -8.328 547 HH TYR 69 HH TYR 69 12.241 -8.990 -10.421 548 H ASP 70 H ASP 70 6.574 -15.280 -10.452 549 HA ASP 70 HA ASP 70 6.295 -18.050 -9.763 550 HB2 ASP 70 1HB ASP 70 4.903 -16.533 -11.989 551 HB3 ASP 70 2HB ASP 70 4.281 -17.922 -11.081 552 H LYS 71 H LYS 71 8.517 -16.890 -11.777 553 HA LYS 71 HA LYS 71 8.100 -18.191 -14.271 554 HB2 LYS 71 1HB LYS 71 10.717 -17.413 -12.932 555 HB3 LYS 71 2HB LYS 71 10.493 -17.781 -14.651 556 HG2 LYS 71 1HG LYS 71 8.792 -15.862 -14.687 557 HG3 LYS 71 2HG LYS 71 9.425 -15.400 -13.099 558 HD2 LYS 71 1HD LYS 71 11.103 -15.684 -15.625 559 HD3 LYS 71 2HD LYS 71 10.448 -14.153 -15.017 560 HE2 LYS 71 1HE LYS 71 11.727 -14.485 -12.890 561 HE3 LYS 71 2HE LYS 71 12.446 -15.955 -13.586 562 HZ1 LYS 71 1HZ LYS 71 13.373 -14.585 -15.360 563 HZ2 LYS 71 2HZ LYS 71 13.887 -14.037 -13.893 564 HZ3 LYS 71 3HZ LYS 71 12.709 -13.220 -14.707 565 H LYS 72 H LYS 72 8.996 -19.544 -11.228 566 HA LYS 72 HA LYS 72 9.074 -22.179 -12.447 567 HB2 LYS 72 1HB LYS 72 11.252 -22.875 -11.708 568 HB3 LYS 72 2HB LYS 72 11.480 -21.439 -12.703 569 HG2 LYS 72 1HG LYS 72 11.854 -20.072 -10.723 570 HG3 LYS 72 2HG LYS 72 11.403 -21.422 -9.673 571 HD2 LYS 72 1HD LYS 72 13.325 -22.725 -10.774 572 HD3 LYS 72 2HD LYS 72 13.867 -21.147 -11.388 573 HE2 LYS 72 1HE LYS 72 15.032 -21.538 -9.318 574 HE3 LYS 72 2HE LYS 72 13.785 -20.314 -8.984 575 HZ1 LYS 72 1HZ LYS 72 13.626 -23.211 -8.353 576 HZ2 LYS 72 2HZ LYS 72 12.361 -22.172 -8.170 577 HZ3 LYS 72 3HZ LYS 72 13.727 -21.972 -7.266 578 HA PRO 73 HA PRO 73 7.496 -22.774 -8.354 579 HB2 PRO 73 1HB PRO 73 8.027 -25.375 -7.734 580 HB3 PRO 73 2HB PRO 73 6.835 -24.930 -8.997 581 HG2 PRO 73 1HG PRO 73 9.729 -25.700 -9.323 582 HG3 PRO 73 2HG PRO 73 8.283 -26.366 -10.155 583 HD2 PRO 73 1HD PRO 73 9.819 -24.467 -11.301 584 HD3 PRO 73 2HD PRO 73 8.033 -24.462 -11.498 585 H ALA 74 H ALA 74 8.131 -23.062 -6.109 586 HA ALA 74 HA ALA 74 10.965 -22.417 -5.655 587 HB1 ALA 74 1HB ALA 74 8.619 -22.688 -3.715 588 HB2 ALA 74 2HB ALA 74 10.227 -22.022 -3.329 589 HB3 ALA 74 3HB ALA 74 9.165 -21.170 -4.474 590 H GLY 75 H GLY 75 12.358 -23.663 -4.281 591 HA2 GLY 75 1HA GLY 75 11.540 -26.054 -2.983 592 HA3 GLY 75 2HA GLY 75 12.274 -26.465 -4.551 593 H SER 76 H SER 76 13.243 -26.873 -1.711 594 HA SER 76 HA SER 76 16.009 -26.076 -2.150 595 HB2 SER 76 1HB SER 76 15.124 -23.960 -1.197 596 HB3 SER 76 2HB SER 76 14.419 -24.859 0.160 597 HG SER 76 HG SER 76 16.492 -25.389 0.844 598 H GLY 77 H GLY 77 17.380 -27.324 -0.707 599 HA2 GLY 77 1HA GLY 77 16.365 -28.736 1.558 600 HA3 GLY 77 2HA GLY 77 16.376 -29.814 0.138 601 H GLY 78 H GLY 78 18.092 -30.560 2.106 602 HA2 GLY 78 1HA GLY 78 20.660 -30.221 0.795 603 HA3 GLY 78 2HA GLY 78 20.573 -29.381 2.343 604 H SER 79 H SER 79 18.750 -32.323 2.069 605 HA SER 79 HA SER 79 18.900 -34.311 3.158 606 HB2 SER 79 1HB SER 79 21.819 -34.150 2.345 607 HB3 SER 79 2HB SER 79 20.874 -35.619 2.684 608 HG SER 79 HG SER 79 20.974 -35.200 0.451 609 H GLY 80 H GLY 80 19.500 -31.968 4.982 610 HA2 GLY 80 1HA GLY 80 21.560 -32.817 6.788 611 HA3 GLY 80 2HA GLY 80 20.275 -31.648 7.148 612 H SER 81 H SER 81 21.497 -34.101 8.584 613 HA SER 81 HA SER 81 19.108 -35.828 8.789 614 HB2 SER 81 1HB SER 81 21.800 -36.203 10.124 615 HB3 SER 81 2HB SER 81 20.574 -37.433 9.742 616 HG SER 81 HG SER 81 20.962 -36.836 7.478 617 H GLY 82 H GLY 82 20.441 -33.190 10.542 618 HA2 GLY 82 1HA GLY 82 18.540 -33.396 12.646 619 HA3 GLY 82 2HA GLY 82 20.100 -34.033 13.211 620 H LEU 83 H LEU 83 19.632 -32.010 14.660 621 HA LEU 83 HA LEU 83 20.930 -29.635 13.363 622 HB2 LEU 83 1HB LEU 83 18.660 -29.829 15.354 623 HB3 LEU 83 2HB LEU 83 19.724 -28.433 15.348 624 HG LEU 83 HG LEU 83 19.063 -27.956 12.992 625 HD11 LEU 83 1HD1 LEU 83 16.888 -28.932 12.206 626 HD12 LEU 83 2HD1 LEU 83 17.012 -30.149 13.499 627 HD13 LEU 83 3HD1 LEU 83 18.230 -30.084 12.201 628 HD21 LEU 83 1HD2 LEU 83 16.878 -27.008 13.662 629 HD22 LEU 83 2HD2 LEU 83 18.086 -26.815 14.949 630 HD23 LEU 83 3HD2 LEU 83 16.844 -28.080 15.082 631 H THR 84 H THR 84 23.027 -30.220 13.987 632 HA THR 84 HA THR 84 23.642 -29.629 16.782 633 HB THR 84 HB THR 84 23.221 -32.110 16.855 634 HG1 THR 84 HG1 THR 84 25.993 -31.929 17.123 635 HG21 THR 84 1HG2 THR 84 24.760 -33.644 15.753 636 HG22 THR 84 2HG2 THR 84 25.602 -32.291 14.970 637 HG23 THR 84 3HG2 THR 84 23.915 -32.660 14.538 638 H ASP 85 H ASP 85 25.900 -29.163 17.022 639 HA ASP 85 HA ASP 85 27.867 -28.228 16.380 640 HB2 ASP 85 1HB ASP 85 27.786 -30.577 14.477 641 HB3 ASP 85 2HB ASP 85 29.235 -29.712 15.027 642 H GLU 86 H GLU 86 25.706 -26.966 14.938 643 HA GLU 86 HA GLU 86 26.983 -26.365 12.325 644 HB2 GLU 86 1HB GLU 86 24.575 -27.164 12.495 645 HB3 GLU 86 2HB GLU 86 24.196 -25.604 13.233 646 HG2 GLU 86 1HG GLU 86 25.089 -24.482 11.182 647 HG3 GLU 86 2HG GLU 86 25.344 -26.077 10.457 648 H LEU 87 H LEU 87 28.623 -25.061 13.264 649 HA LEU 87 HA LEU 87 27.924 -22.745 14.881 650 HB2 LEU 87 1HB LEU 87 30.513 -23.533 13.507 651 HB3 LEU 87 2HB LEU 87 30.342 -22.178 14.620 652 HG LEU 87 HG LEU 87 29.862 -25.088 15.364 653 HD11 LEU 87 1HD1 LEU 87 32.018 -24.922 16.543 654 HD12 LEU 87 2HD1 LEU 87 32.234 -23.265 15.930 655 HD13 LEU 87 3HD1 LEU 87 32.222 -24.641 14.803 656 HD21 LEU 87 1HD2 LEU 87 28.587 -23.580 16.810 657 HD22 LEU 87 2HD2 LEU 87 30.025 -22.561 17.067 658 HD23 LEU 87 3HD2 LEU 87 29.978 -24.220 17.702 659 H ALA 88 H ALA 88 28.244 -20.561 14.375 660 HA ALA 88 HA ALA 88 27.270 -19.955 11.714 661 HB1 ALA 88 1HB ALA 88 27.878 -18.088 14.039 662 HB2 ALA 88 2HB ALA 88 26.856 -17.736 12.625 663 HB3 ALA 88 3HB ALA 88 26.339 -18.954 13.811 664 HA PRO 89 HA PRO 89 31.106 -18.436 10.045 665 HB2 PRO 89 1HB PRO 89 30.203 -16.758 8.090 666 HB3 PRO 89 2HB PRO 89 30.002 -18.535 7.978 667 HG2 PRO 89 1HG PRO 89 28.060 -16.458 8.936 668 HG3 PRO 89 2HG PRO 89 27.818 -17.750 7.720 669 HD2 PRO 89 1HD PRO 89 27.028 -18.039 10.279 670 HD3 PRO 89 2HD PRO 89 27.692 -19.416 9.338 671 HA PRO 90 HA PRO 90 31.861 -14.636 12.084 672 HB2 PRO 90 1HB PRO 90 33.799 -13.378 10.642 673 HB3 PRO 90 2HB PRO 90 34.101 -14.928 11.487 674 HG2 PRO 90 1HG PRO 90 33.369 -14.468 8.610 675 HG3 PRO 90 2HG PRO 90 34.737 -15.410 9.282 676 HD2 PRO 90 1HD PRO 90 32.442 -16.605 8.526 677 HD3 PRO 90 2HD PRO 90 33.330 -17.162 9.984 678 H LYS 91 H LYS 91 31.837 -12.247 11.991 679 HA LYS 91 HA LYS 91 29.787 -11.259 10.096 680 HB2 LYS 91 1HB LYS 91 31.192 -9.916 12.446 681 HB3 LYS 91 2HB LYS 91 29.806 -9.271 11.564 682 HG2 LYS 91 1HG LYS 91 28.414 -11.130 12.402 683 HG3 LYS 91 2HG LYS 91 29.807 -11.765 13.302 684 HD2 LYS 91 1HD LYS 91 29.965 -9.665 14.574 685 HD3 LYS 91 2HD LYS 91 28.597 -9.002 13.660 686 HE2 LYS 91 1HE LYS 91 27.158 -10.816 14.520 687 HE3 LYS 91 2HE LYS 91 28.520 -11.410 15.502 688 HZ1 LYS 91 1HZ LYS 91 27.382 -8.681 15.687 689 HZ2 LYS 91 2HZ LYS 91 28.559 -9.341 16.664 690 HZ3 LYS 91 3HZ LYS 91 27.013 -9.915 16.721 691 HA PRO 92 HA PRO 92 33.131 -9.029 8.027 692 HB2 PRO 92 1HB PRO 92 31.773 -6.877 6.981 693 HB3 PRO 92 2HB PRO 92 31.688 -8.516 6.258 694 HG2 PRO 92 1HG PRO 92 29.760 -7.138 8.051 695 HG3 PRO 92 2HG PRO 92 29.453 -8.115 6.598 696 HD2 PRO 92 1HD PRO 92 29.196 -9.038 9.168 697 HD3 PRO 92 2HD PRO 92 29.608 -10.099 7.777 698 HA PRO 93 HA PRO 93 34.016 -6.240 11.305 699 HB2 PRO 93 1HB PRO 93 35.861 -4.504 10.315 700 HB3 PRO 93 2HB PRO 93 36.208 -6.260 10.475 701 HG2 PRO 93 1HG PRO 93 35.264 -4.732 8.059 702 HG3 PRO 93 2HG PRO 93 36.671 -5.836 8.216 703 HD2 PRO 93 1HD PRO 93 34.296 -6.671 7.230 704 HD3 PRO 93 2HD PRO 93 35.309 -7.745 8.261 705 H LEU 94 H LEU 94 34.163 -3.839 11.958 706 HA LEU 94 HA LEU 94 32.388 -2.121 10.334 707 HB2 LEU 94 1HB LEU 94 32.166 -2.847 13.264 708 HB3 LEU 94 2HB LEU 94 31.620 -1.277 12.692 709 HG LEU 94 HG LEU 94 30.525 -3.948 11.783 710 HD11 LEU 94 1HD1 LEU 94 29.985 -3.204 14.107 711 HD12 LEU 94 2HD1 LEU 94 28.584 -3.336 13.030 712 HD13 LEU 94 3HD1 LEU 94 29.263 -1.732 13.401 713 HD21 LEU 94 1HD2 LEU 94 28.772 -2.563 10.700 714 HD22 LEU 94 2HD2 LEU 94 30.358 -2.308 9.980 715 HD23 LEU 94 3HD2 LEU 94 29.689 -1.097 11.105 716 HA PRO 95 HA PRO 95 35.561 0.814 11.474 717 HB2 PRO 95 1HB PRO 95 34.389 3.125 10.743 718 HB3 PRO 95 2HB PRO 95 34.761 1.866 9.528 719 HG2 PRO 95 1HG PRO 95 32.142 2.453 10.925 720 HG3 PRO 95 2HG PRO 95 32.443 2.207 9.177 721 HD2 PRO 95 1HD PRO 95 31.558 0.206 10.898 722 HD3 PRO 95 2HD PRO 95 32.480 -0.096 9.405 723 H GLU 96 H GLU 96 35.909 2.811 12.740 724 HA GLU 96 HA GLU 96 34.196 2.924 15.159 725 HB2 GLU 96 1HB GLU 96 36.856 4.244 14.479 726 HB3 GLU 96 2HB GLU 96 35.974 4.470 15.990 727 HG2 GLU 96 1HG GLU 96 37.624 2.877 16.491 728 HG3 GLU 96 2HG GLU 96 36.121 1.956 16.341 729 H GLY 97 H GLY 97 32.329 3.915 14.199 730 HA2 GLY 97 1HA GLY 97 32.565 6.821 14.151 731 HA3 GLY 97 2HA GLY 97 32.159 6.123 12.574 732 H GLU 98 H GLU 98 30.386 7.851 13.667 733 HA GLU 98 HA GLU 98 28.032 6.163 14.180 734 HB2 GLU 98 1HB GLU 98 29.410 7.673 16.286 735 HB3 GLU 98 2HB GLU 98 27.768 8.268 16.041 736 HG2 GLU 98 1HG GLU 98 28.378 5.318 16.459 737 HG3 GLU 98 2HG GLU 98 28.113 6.437 17.803 738 H VAL 99 H VAL 99 26.066 7.571 14.057 739 HA VAL 99 HA VAL 99 26.516 9.607 11.944 740 HB VAL 99 HB VAL 99 24.039 9.524 11.650 741 HG11 VAL 99 1HG1 VAL 99 25.560 7.994 10.344 742 HG12 VAL 99 2HG1 VAL 99 25.388 6.755 11.595 743 HG13 VAL 99 3HG1 VAL 99 23.988 7.242 10.636 744 HG21 VAL 99 1HG2 VAL 99 24.076 7.249 13.734 745 HG22 VAL 99 2HG2 VAL 99 23.420 8.865 14.035 746 HG23 VAL 99 3HG2 VAL 99 22.676 7.817 12.817 747 HXT VAL 99 H02 VAL 99 25.548 12.339 13.548 Start of MODEL 27 1 H2 GLY 1 2H0 GLY 1 10.069 -0.958 -6.685 2 H GLY 1 1H0 GLY 1 10.298 -1.265 -8.275 3 HA2 GLY 1 1HA GLY 1 9.454 0.828 -8.984 4 HA3 GLY 1 2HA GLY 1 8.319 0.197 -7.761 5 H SER 2 H SER 2 11.287 1.033 -6.635 6 HA SER 2 HA SER 2 12.127 2.625 -5.185 7 HB2 SER 2 1HB SER 2 10.487 4.545 -6.871 8 HB3 SER 2 2HB SER 2 11.865 4.966 -5.830 9 HG SER 2 HG SER 2 12.356 4.656 -8.116 10 H MET 3 H MET 3 9.506 1.368 -4.518 11 HA MET 3 HA MET 3 7.953 3.419 -3.161 12 HB2 MET 3 1HB MET 3 7.187 1.196 -4.297 13 HB3 MET 3 2HB MET 3 7.644 0.435 -2.775 14 HG2 MET 3 1HG MET 3 5.278 0.899 -2.763 15 HG3 MET 3 2HG MET 3 6.063 1.968 -1.587 16 HE1 MET 3 1HE MET 3 3.120 4.218 -2.963 17 HE2 MET 3 2HE MET 3 3.077 2.456 -2.688 18 HE3 MET 3 3HE MET 3 3.888 3.523 -1.517 19 H LYS 4 H LYS 4 10.431 3.645 -2.206 20 HA LYS 4 HA LYS 4 11.670 3.880 -0.307 21 HB2 LYS 4 1HB LYS 4 9.243 2.968 1.268 22 HB3 LYS 4 2HB LYS 4 10.605 3.906 1.864 23 HG2 LYS 4 1HG LYS 4 8.576 4.853 -0.205 24 HG3 LYS 4 2HG LYS 4 8.578 5.274 1.511 25 HD2 LYS 4 1HD LYS 4 10.777 6.389 1.244 26 HD3 LYS 4 2HD LYS 4 10.789 5.953 -0.475 27 HE2 LYS 4 1HE LYS 4 10.057 8.267 -0.217 28 HE3 LYS 4 2HE LYS 4 8.728 7.264 -0.832 29 HZ1 LYS 4 1HZ LYS 4 9.064 8.088 2.002 30 HZ2 LYS 4 2HZ LYS 4 7.823 7.178 1.402 31 HZ3 LYS 4 3HZ LYS 4 7.991 8.747 0.932 32 H TYR 5 H TYR 5 13.286 2.540 -0.273 33 HA TYR 5 HA TYR 5 14.629 0.798 0.163 34 HB2 TYR 5 1HB TYR 5 12.536 0.365 2.286 35 HB3 TYR 5 2HB TYR 5 13.939 -0.649 2.119 36 HD1 TYR 5 HD1 TYR 5 12.679 2.089 3.850 37 HD2 TYR 5 HD2 TYR 5 16.279 0.771 1.887 38 HE1 TYR 5 HE1 TYR 5 14.026 3.675 5.229 39 HE2 TYR 5 HE2 TYR 5 17.611 2.364 3.265 40 HH TYR 5 HH TYR 5 16.114 4.478 5.718 41 H LEU 6 H LEU 6 14.737 -1.699 0.471 42 HA LEU 6 HA LEU 6 13.606 -2.770 -1.969 43 HB2 LEU 6 1HB LEU 6 15.059 -4.157 0.310 44 HB3 LEU 6 2HB LEU 6 14.750 -4.833 -1.285 45 HG LEU 6 HG LEU 6 16.560 -2.476 -0.750 46 HD11 LEU 6 1HD1 LEU 6 17.410 -4.582 0.229 47 HD12 LEU 6 2HD1 LEU 6 18.386 -4.079 -1.167 48 HD13 LEU 6 3HD1 LEU 6 17.202 -5.397 -1.343 49 HD21 LEU 6 1HD2 LEU 6 15.633 -2.413 -3.009 50 HD22 LEU 6 2HD2 LEU 6 16.071 -4.116 -3.265 51 HD23 LEU 6 3HD2 LEU 6 17.341 -2.886 -3.061 52 H ASN 7 H ASN 7 12.971 -3.262 1.485 53 HA ASN 7 HA ASN 7 11.272 -4.284 2.639 54 HB2 ASN 7 1HB ASN 7 9.812 -3.280 0.185 55 HB3 ASN 7 2HB ASN 7 8.959 -4.227 1.411 56 HD21 ASN 7 1HD2 ASN 7 10.553 -0.825 2.965 57 HD22 ASN 7 2HD2 ASN 7 11.556 -1.932 2.066 58 H VAL 8 H VAL 8 12.892 -6.181 1.757 59 HA VAL 8 HA VAL 8 11.077 -8.297 0.643 60 HB VAL 8 HB VAL 8 12.784 -9.163 -0.609 61 HG11 VAL 8 1HG1 VAL 8 14.213 -6.552 0.006 62 HG12 VAL 8 2HG1 VAL 8 14.364 -7.555 -1.458 63 HG13 VAL 8 3HG1 VAL 8 12.835 -6.716 -1.132 64 HG21 VAL 8 1HG2 VAL 8 14.600 -8.552 1.722 65 HG22 VAL 8 2HG2 VAL 8 14.142 -10.124 1.057 66 HG23 VAL 8 3HG2 VAL 8 15.256 -9.073 0.166 67 H LEU 9 H LEU 9 11.489 -10.499 1.639 68 HA LEU 9 HA LEU 9 12.053 -10.149 4.553 69 HB2 LEU 9 1HB LEU 9 10.696 -12.409 3.041 70 HB3 LEU 9 2HB LEU 9 10.936 -12.344 4.783 71 HG LEU 9 HG LEU 9 9.190 -10.472 3.145 72 HD11 LEU 9 1HD1 LEU 9 7.334 -11.596 4.292 73 HD12 LEU 9 2HD1 LEU 9 8.485 -12.659 5.141 74 HD13 LEU 9 3HD1 LEU 9 8.309 -12.765 3.372 75 HD21 LEU 9 1HD2 LEU 9 9.670 -10.589 6.151 76 HD22 LEU 9 2HD2 LEU 9 8.380 -9.661 5.361 77 HD23 LEU 9 3HD2 LEU 9 10.076 -9.243 5.059 78 H ALA 10 H ALA 10 13.616 -11.363 5.588 79 HA ALA 10 HA ALA 10 15.158 -13.297 3.905 80 HB1 ALA 10 1HB ALA 10 16.368 -11.157 3.873 81 HB2 ALA 10 2HB ALA 10 16.375 -11.123 5.655 82 HB3 ALA 10 3HB ALA 10 17.261 -12.394 4.772 83 H LYS 11 H LYS 11 15.953 -15.059 5.031 84 HA LYS 11 HA LYS 11 14.948 -15.320 7.840 85 HB2 LYS 11 1HB LYS 11 14.100 -16.992 6.316 86 HB3 LYS 11 2HB LYS 11 15.716 -17.412 5.769 87 HG2 LYS 11 1HG LYS 11 16.285 -18.411 7.852 88 HG3 LYS 11 2HG LYS 11 14.890 -17.695 8.675 89 HD2 LYS 11 1HD LYS 11 14.576 -19.712 6.434 90 HD3 LYS 11 2HD LYS 11 14.791 -20.186 8.133 91 HE2 LYS 11 1HE LYS 11 12.832 -18.706 8.720 92 HE3 LYS 11 2HE LYS 11 12.550 -18.495 6.984 93 HZ1 LYS 11 1HZ LYS 11 12.196 -20.871 6.807 94 HZ2 LYS 11 2HZ LYS 11 11.164 -20.225 7.921 95 HZ3 LYS 11 3HZ LYS 11 12.481 -21.078 8.420 96 H ALA 12 H ALA 12 16.269 -15.712 9.491 97 HA ALA 12 HA ALA 12 19.149 -15.434 9.205 98 HB1 ALA 12 1HB ALA 12 17.343 -16.253 11.519 99 HB2 ALA 12 2HB ALA 12 19.078 -15.928 11.669 100 HB3 ALA 12 3HB ALA 12 17.960 -14.632 11.189 101 H LEU 13 H LEU 13 20.627 -17.025 8.774 102 HA LEU 13 HA LEU 13 19.743 -19.860 8.882 103 HB2 LEU 13 1HB LEU 13 22.371 -18.567 8.116 104 HB3 LEU 13 2HB LEU 13 22.060 -20.284 8.079 105 HG LEU 13 HG LEU 13 21.883 -19.855 5.918 106 HD11 LEU 13 1HD1 LEU 13 19.651 -20.698 6.584 107 HD12 LEU 13 2HD1 LEU 13 19.611 -19.724 5.100 108 HD13 LEU 13 3HD1 LEU 13 19.059 -19.018 6.635 109 HD21 LEU 13 1HD2 LEU 13 20.641 -17.167 6.378 110 HD22 LEU 13 2HD2 LEU 13 21.308 -17.815 4.866 111 HD23 LEU 13 3HD2 LEU 13 22.391 -17.459 6.209 112 H TYR 14 H TYR 14 21.398 -17.511 10.779 113 HA TYR 14 HA TYR 14 22.182 -19.578 12.758 114 HB2 TYR 14 1HB TYR 14 24.025 -17.354 11.826 115 HB3 TYR 14 2HB TYR 14 24.378 -18.602 13.020 116 HD1 TYR 14 HD1 TYR 14 24.723 -21.001 12.263 117 HD2 TYR 14 HD2 TYR 14 24.277 -17.765 9.474 118 HE1 TYR 14 HE1 TYR 14 25.671 -22.423 10.446 119 HE2 TYR 14 HE2 TYR 14 25.198 -19.192 7.654 120 HH TYR 14 HH TYR 14 26.106 -21.209 7.113 121 H ASP 15 H ASP 15 22.736 -18.467 14.857 122 HA ASP 15 HA ASP 15 20.849 -16.400 15.506 123 HB2 ASP 15 1HB ASP 15 23.255 -17.483 17.009 124 HB3 ASP 15 2HB ASP 15 21.982 -16.469 17.714 125 H ASN 16 H ASN 16 21.379 -14.348 16.486 126 HA ASN 16 HA ASN 16 23.955 -13.114 15.603 127 HB2 ASN 16 1HB ASN 16 22.344 -12.681 13.827 128 HB3 ASN 16 2HB ASN 16 21.114 -12.205 15.002 129 HD21 ASN 16 1HD2 ASN 16 24.180 -9.529 14.827 130 HD22 ASN 16 2HD2 ASN 16 24.454 -11.223 15.106 131 H VAL 17 H VAL 17 24.793 -12.024 17.268 132 HA VAL 17 HA VAL 17 22.958 -11.038 19.409 133 HB VAL 17 HB VAL 17 25.868 -11.969 19.674 134 HG11 VAL 17 1HG1 VAL 17 25.548 -11.531 22.106 135 HG12 VAL 17 2HG1 VAL 17 25.394 -10.047 21.145 136 HG13 VAL 17 3HG1 VAL 17 23.937 -10.860 21.769 137 HG21 VAL 17 1HG2 VAL 17 24.319 -13.885 19.508 138 HG22 VAL 17 2HG2 VAL 17 24.927 -13.734 21.167 139 HG23 VAL 17 3HG2 VAL 17 23.281 -13.183 20.768 140 H ALA 18 H ALA 18 22.946 -8.906 19.503 141 HA ALA 18 HA ALA 18 24.486 -7.408 17.582 142 HB1 ALA 18 1HB ALA 18 22.085 -7.030 18.302 143 HB2 ALA 18 2HB ALA 18 22.728 -6.363 19.816 144 HB3 ALA 18 3HB ALA 18 23.123 -5.589 18.265 145 H GLU 19 H GLU 19 26.481 -6.725 17.889 146 HA GLU 19 HA GLU 19 27.453 -6.270 20.694 147 HB2 GLU 19 1HB GLU 19 28.925 -6.760 18.080 148 HB3 GLU 19 2HB GLU 19 29.706 -6.395 19.623 149 HG2 GLU 19 1HG GLU 19 28.694 -8.427 20.601 150 HG3 GLU 19 2HG GLU 19 27.966 -8.812 19.036 151 H SER 20 H SER 20 26.525 -4.830 17.751 152 HA SER 20 HA SER 20 27.919 -2.263 18.396 153 HB2 SER 20 1HB SER 20 26.420 -2.702 15.838 154 HB3 SER 20 2HB SER 20 27.939 -1.834 16.126 155 HG SER 20 HG SER 20 27.529 -4.657 16.005 156 HA PRO 21 HA PRO 21 23.981 -0.699 19.564 157 HB2 PRO 21 1HB PRO 21 24.183 1.962 18.932 158 HB3 PRO 21 2HB PRO 21 25.102 1.212 20.280 159 HG2 PRO 21 1HG PRO 21 26.013 1.768 17.459 160 HG3 PRO 21 2HG PRO 21 26.817 2.163 19.005 161 HD2 PRO 21 1HD PRO 21 27.515 0.021 17.590 162 HD3 PRO 21 2HD PRO 21 27.474 -0.011 19.388 163 H ASP 22 H ASP 22 25.103 -0.513 16.294 164 HA ASP 22 HA ASP 22 22.479 0.350 15.237 165 HB2 ASP 22 1HB ASP 22 25.240 -0.099 14.060 166 HB3 ASP 22 2HB ASP 22 23.810 0.030 13.023 167 H GLU 23 H GLU 23 23.762 -2.519 16.338 168 HA GLU 23 HA GLU 23 23.008 -4.087 13.955 169 HB2 GLU 23 1HB GLU 23 25.207 -4.307 15.179 170 HB3 GLU 23 2HB GLU 23 24.315 -5.015 16.523 171 HG2 GLU 23 1HG GLU 23 23.582 -6.843 15.048 172 HG3 GLU 23 2HG GLU 23 24.435 -6.103 13.702 173 H LEU 24 H LEU 24 21.588 -5.851 14.025 174 HA LEU 24 HA LEU 24 19.479 -5.670 16.122 175 HB2 LEU 24 1HB LEU 24 19.720 -7.280 13.551 176 HB3 LEU 24 2HB LEU 24 18.393 -7.462 14.693 177 HG LEU 24 HG LEU 24 19.036 -4.984 13.080 178 HD11 LEU 24 1HD1 LEU 24 18.040 -6.725 11.731 179 HD12 LEU 24 2HD1 LEU 24 16.816 -5.484 12.052 180 HD13 LEU 24 3HD1 LEU 24 16.785 -7.017 12.951 181 HD21 LEU 24 1HD2 LEU 24 16.860 -4.155 14.015 182 HD22 LEU 24 2HD2 LEU 24 18.162 -4.279 15.207 183 HD23 LEU 24 3HD2 LEU 24 16.871 -5.519 15.149 184 H SER 25 H SER 25 18.640 -7.870 16.880 185 HA SER 25 HA SER 25 20.783 -9.903 17.088 186 HB2 SER 25 1HB SER 25 19.968 -10.208 19.540 187 HB3 SER 25 2HB SER 25 21.067 -8.859 19.199 188 HG SER 25 HG SER 25 19.385 -8.066 20.412 189 H PHE 26 H PHE 26 19.957 -11.891 16.835 190 HA PHE 26 HA PHE 26 17.082 -12.434 17.158 191 HB2 PHE 26 1HB PHE 26 16.691 -13.059 14.787 192 HB3 PHE 26 2HB PHE 26 16.910 -11.336 15.044 193 HD1 PHE 26 HD1 PHE 26 18.501 -10.127 13.854 194 HD2 PHE 26 HD2 PHE 26 18.752 -14.413 13.930 195 HE1 PHE 26 HE1 PHE 26 20.261 -10.055 12.128 196 HE2 PHE 26 HE2 PHE 26 20.542 -14.326 12.187 197 HZ PHE 26 HZ PHE 26 21.267 -12.159 11.257 198 H ARG 27 H ARG 27 16.466 -14.609 16.223 199 HA ARG 27 HA ARG 27 18.619 -16.592 16.950 200 HB2 ARG 27 1HB ARG 27 16.642 -16.571 18.426 201 HB3 ARG 27 2HB ARG 27 15.563 -16.556 17.040 202 HG2 ARG 27 1HG ARG 27 15.346 -18.723 17.807 203 HG3 ARG 27 2HG ARG 27 16.502 -18.920 16.501 204 HD2 ARG 27 1HD ARG 27 18.337 -18.843 18.220 205 HD3 ARG 27 2HD ARG 27 17.098 -18.822 19.470 206 HE ARG 27 HE ARG 27 16.330 -21.017 18.609 207 HH11 ARG 27 1HH1 ARG 27 19.645 -20.075 17.737 208 HH12 ARG 27 2HH1 ARG 27 20.134 -21.733 17.531 209 HH21 ARG 27 1HH2 ARG 27 17.051 -23.089 18.273 210 HH22 ARG 27 2HH2 ARG 27 18.704 -23.389 17.810 211 H LYS 28 H LYS 28 18.889 -18.407 15.667 212 HA LYS 28 HA LYS 28 18.658 -18.229 12.857 213 HB2 LYS 28 1HB LYS 28 20.095 -19.853 13.986 214 HB3 LYS 28 2HB LYS 28 18.697 -20.622 14.736 215 HG2 LYS 28 1HG LYS 28 17.891 -21.369 12.559 216 HG3 LYS 28 2HG LYS 28 19.253 -20.569 11.768 217 HD2 LYS 28 1HD LYS 28 20.820 -22.014 13.031 218 HD3 LYS 28 2HD LYS 28 19.434 -22.810 13.810 219 HE2 LYS 28 1HE LYS 28 18.613 -23.530 11.589 220 HE3 LYS 28 2HE LYS 28 20.029 -22.764 10.829 221 HZ1 LYS 28 1HZ LYS 28 20.345 -25.139 11.211 222 HZ2 LYS 28 2HZ LYS 28 20.187 -24.931 12.837 223 HZ3 LYS 28 3HZ LYS 28 21.456 -24.248 12.029 224 H GLY 29 H GLY 29 17.043 -18.426 11.462 225 HA2 GLY 29 1HA GLY 29 15.091 -19.507 10.633 226 HA3 GLY 29 2HA GLY 29 14.580 -19.868 12.285 227 H ASP 30 H ASP 30 15.462 -16.812 12.750 228 HA ASP 30 HA ASP 30 12.745 -15.847 12.684 229 HB2 ASP 30 1HB ASP 30 15.441 -14.537 13.191 230 HB3 ASP 30 2HB ASP 30 13.934 -13.612 13.180 231 H ILE 31 H ILE 31 11.973 -13.988 11.548 232 HA ILE 31 HA ILE 31 13.214 -13.681 8.841 233 HB ILE 31 HB ILE 31 10.276 -13.397 9.644 234 HG12 ILE 31 1HG1 ILE 31 10.878 -15.741 9.577 235 HG13 ILE 31 2HG1 ILE 31 9.907 -15.337 8.166 236 HG21 ILE 31 1HG2 ILE 31 11.727 -12.983 6.987 237 HG22 ILE 31 2HG2 ILE 31 9.961 -13.210 7.106 238 HG23 ILE 31 3HG2 ILE 31 10.729 -11.819 7.885 239 HD11 ILE 31 1HD1 ILE 31 11.540 -16.714 7.289 240 HD12 ILE 31 2HD1 ILE 31 12.192 -15.112 6.916 241 HD13 ILE 31 3HD1 ILE 31 12.825 -16.027 8.307 242 H MET 32 H MET 32 13.876 -11.686 8.340 243 HA MET 32 HA MET 32 12.675 -9.392 9.841 244 HB2 MET 32 1HB MET 32 14.883 -8.279 9.733 245 HB3 MET 32 2HB MET 32 14.870 -9.707 10.749 246 HG2 MET 32 1HG MET 32 15.696 -10.803 8.411 247 HG3 MET 32 2HG MET 32 16.369 -9.177 8.275 248 HE1 MET 32 1HE MET 32 15.658 -11.680 11.389 249 HE2 MET 32 2HE MET 32 16.369 -12.633 10.066 250 HE3 MET 32 3HE MET 32 17.297 -12.341 11.557 251 H THR 33 H THR 33 12.643 -7.447 8.727 252 HA THR 33 HA THR 33 12.192 -7.845 5.816 253 HB THR 33 HB THR 33 11.695 -5.437 7.631 254 HG1 THR 33 HG1 THR 33 9.529 -6.131 7.435 255 HG21 THR 33 1HG2 THR 33 11.975 -4.700 5.339 256 HG22 THR 33 2HG2 THR 33 10.246 -4.676 5.743 257 HG23 THR 33 3HG2 THR 33 10.901 -5.999 4.749 258 H VAL 34 H VAL 34 13.890 -7.534 4.478 259 HA VAL 34 HA VAL 34 16.182 -5.928 5.341 260 HB VAL 34 HB VAL 34 15.648 -7.113 2.613 261 HG11 VAL 34 1HG1 VAL 34 17.417 -5.430 2.581 262 HG12 VAL 34 2HG1 VAL 34 18.212 -6.192 3.981 263 HG13 VAL 34 3HG1 VAL 34 18.137 -7.043 2.420 264 HG21 VAL 34 1HG2 VAL 34 15.562 -8.914 4.212 265 HG22 VAL 34 2HG2 VAL 34 17.141 -8.963 3.412 266 HG23 VAL 34 3HG2 VAL 34 17.008 -8.298 5.054 267 H LEU 35 H LEU 35 16.409 -3.867 5.055 268 HA LEU 35 HA LEU 35 14.431 -2.440 3.377 269 HB2 LEU 35 1HB LEU 35 16.478 -1.471 5.399 270 HB3 LEU 35 2HB LEU 35 15.286 -0.460 4.591 271 HG LEU 35 HG LEU 35 14.603 -2.775 6.442 272 HD11 LEU 35 1HD1 LEU 35 14.753 0.203 6.911 273 HD12 LEU 35 2HD1 LEU 35 15.698 -1.083 7.698 274 HD13 LEU 35 3HD1 LEU 35 13.956 -0.950 8.004 275 HD21 LEU 35 1HD2 LEU 35 12.799 -2.328 4.861 276 HD22 LEU 35 2HD2 LEU 35 12.880 -0.584 5.212 277 HD23 LEU 35 3HD2 LEU 35 12.343 -1.732 6.461 278 H GLU 36 H GLU 36 17.985 -2.677 3.970 279 HA GLU 36 HA GLU 36 18.355 -2.484 1.071 280 HB2 GLU 36 1HB GLU 36 19.747 -0.611 0.970 281 HB3 GLU 36 2HB GLU 36 18.342 -0.095 1.888 282 HG2 GLU 36 1HG GLU 36 19.606 -0.386 3.931 283 HG3 GLU 36 2HG GLU 36 21.032 -0.730 2.946 284 H ARG 37 H ARG 37 20.897 -2.575 0.677 285 HA ARG 37 HA ARG 37 22.085 -4.395 2.732 286 HB2 ARG 37 1HB ARG 37 22.227 -4.703 -0.285 287 HB3 ARG 37 2HB ARG 37 23.030 -5.728 0.904 288 HG2 ARG 37 1HG ARG 37 20.703 -6.336 1.770 289 HG3 ARG 37 2HG ARG 37 20.075 -5.514 0.333 290 HD2 ARG 37 1HD ARG 37 21.793 -7.978 0.474 291 HD3 ARG 37 2HD ARG 37 20.199 -7.797 -0.275 292 HE ARG 37 HE ARG 37 22.024 -6.021 -1.542 293 HH11 ARG 37 1HH1 ARG 37 21.538 -9.500 -1.290 294 HH12 ARG 37 2HH1 ARG 37 22.296 -9.811 -2.830 295 HH21 ARG 37 1HH2 ARG 37 22.979 -6.476 -3.477 296 HH22 ARG 37 2HH2 ARG 37 23.100 -8.118 -4.051 297 H ASP 38 H ASP 38 24.350 -4.225 2.827 298 HA ASP 38 HA ASP 38 26.327 -3.151 2.807 299 HB2 ASP 38 1HB ASP 38 25.628 -2.374 -0.033 300 HB3 ASP 38 2HB ASP 38 27.246 -2.566 0.660 301 H THR 39 H THR 39 24.179 -1.992 3.918 302 HA THR 39 HA THR 39 23.622 0.725 3.224 303 HB THR 39 HB THR 39 22.083 -0.577 4.576 304 HG1 THR 39 HG1 THR 39 21.863 1.514 5.095 305 HG21 THR 39 1HG2 THR 39 23.393 -2.103 5.726 306 HG22 THR 39 2HG2 THR 39 22.630 -1.078 6.943 307 HG23 THR 39 3HG2 THR 39 24.337 -0.820 6.535 308 H GLN 40 H GLN 40 24.276 2.646 4.169 309 HA GLN 40 HA GLN 40 25.784 4.161 4.934 310 HB2 GLN 40 1HB GLN 40 26.666 2.214 7.053 311 HB3 GLN 40 2HB GLN 40 26.609 3.968 7.115 312 HG2 GLN 40 1HG GLN 40 24.031 3.637 6.855 313 HG3 GLN 40 2HG GLN 40 24.366 1.972 7.344 314 HE21 GLN 40 1HE2 GLN 40 24.455 2.774 10.743 315 HE22 GLN 40 2HE2 GLN 40 24.259 1.585 9.472 316 H GLY 41 H GLY 41 26.751 1.799 3.106 317 HA2 GLY 41 1HA GLY 41 28.742 1.571 1.913 318 HA3 GLY 41 2HA GLY 41 29.535 2.701 3.029 319 H LEU 42 H LEU 42 27.756 0.229 4.634 320 HA LEU 42 HA LEU 42 30.287 -1.013 5.479 321 HB2 LEU 42 1HB LEU 42 27.427 -1.442 6.365 322 HB3 LEU 42 2HB LEU 42 28.861 -2.081 7.155 323 HG LEU 42 HG LEU 42 28.295 0.877 6.901 324 HD11 LEU 42 1HD1 LEU 42 27.635 -1.053 9.151 325 HD12 LEU 42 2HD1 LEU 42 26.480 -0.179 8.101 326 HD13 LEU 42 3HD1 LEU 42 27.509 0.724 9.235 327 HD21 LEU 42 1HD2 LEU 42 30.617 0.345 7.360 328 HD22 LEU 42 2HD2 LEU 42 30.127 -0.761 8.665 329 HD23 LEU 42 3HD2 LEU 42 29.852 0.987 8.828 330 H ASP 43 H ASP 43 30.875 -2.212 3.661 331 HA ASP 43 HA ASP 43 29.137 -3.783 2.080 332 HB2 ASP 43 1HB ASP 43 32.089 -3.941 2.705 333 HB3 ASP 43 2HB ASP 43 31.307 -5.205 1.744 334 H GLY 44 H GLY 44 28.104 -5.643 2.336 335 HA2 GLY 44 1HA GLY 44 27.834 -7.845 3.112 336 HA3 GLY 44 2HA GLY 44 29.156 -7.614 4.261 337 H TRP 45 H TRP 45 27.530 -4.947 5.009 338 HA TRP 45 HA TRP 45 25.894 -6.332 7.060 339 HB2 TRP 45 1HB TRP 45 26.949 -3.551 6.605 340 HB3 TRP 45 2HB TRP 45 25.726 -3.843 7.804 341 HD1 TRP 45 HD1 TRP 45 29.418 -3.902 7.342 342 HE1 TRP 45 HE1 TRP 45 30.641 -4.818 9.371 343 HE3 TRP 45 HE3 TRP 45 25.367 -5.915 9.686 344 HZ2 TRP 45 HZ2 TRP 45 29.920 -6.301 11.732 345 HZ3 TRP 45 HZ3 TRP 45 25.682 -7.072 11.872 346 HH2 TRP 45 HH2 TRP 45 27.930 -7.265 12.876 347 H TRP 46 H TRP 46 23.691 -6.410 6.902 348 HA TRP 46 HA TRP 46 22.455 -4.794 4.699 349 HB2 TRP 46 1HB TRP 46 21.625 -7.466 5.886 350 HB3 TRP 46 2HB TRP 46 20.713 -6.577 4.660 351 HD1 TRP 46 HD1 TRP 46 24.110 -6.037 3.565 352 HE1 TRP 46 HE1 TRP 46 24.928 -7.671 1.822 353 HE3 TRP 46 HE3 TRP 46 20.474 -9.595 4.199 354 HZ2 TRP 46 HZ2 TRP 46 24.159 -10.250 0.862 355 HZ3 TRP 46 HZ3 TRP 46 20.602 -11.676 2.833 356 HH2 TRP 46 HH2 TRP 46 22.418 -11.985 1.167 357 H LEU 47 H LEU 47 20.937 -3.338 5.202 358 HA LEU 47 HA LEU 47 20.255 -2.915 8.018 359 HB2 LEU 47 1HB LEU 47 20.590 -1.027 6.434 360 HB3 LEU 47 2HB LEU 47 19.261 -1.622 5.456 361 HG LEU 47 HG LEU 47 17.687 -1.105 7.229 362 HD11 LEU 47 1HD1 LEU 47 18.445 0.235 9.217 363 HD12 LEU 47 2HD1 LEU 47 20.116 -0.167 8.784 364 HD13 LEU 47 3HD1 LEU 47 18.974 -1.456 9.237 365 HD21 LEU 47 1HD2 LEU 47 18.215 0.627 5.586 366 HD22 LEU 47 2HD2 LEU 47 19.556 1.207 6.595 367 HD23 LEU 47 3HD2 LEU 47 17.873 1.359 7.165 368 H CYS 48 H CYS 48 18.687 -4.013 9.001 369 HA CYS 48 HA CYS 48 16.296 -4.716 7.359 370 HB2 CYS 48 1HB CYS 48 17.478 -6.544 9.470 371 HB3 CYS 48 2HB CYS 48 16.189 -6.897 8.332 372 HG CYS 48 HG CYS 48 19.381 -6.294 7.696 373 H SER 49 H SER 49 14.455 -5.364 8.763 374 HA SER 49 HA SER 49 14.486 -3.904 11.373 375 HB2 SER 49 1HB SER 49 12.843 -2.558 10.691 376 HB3 SER 49 2HB SER 49 13.077 -3.151 9.053 377 HG SER 49 HG SER 49 10.926 -3.412 9.717 378 H LEU 50 H LEU 50 13.823 -5.073 13.014 379 HA LEU 50 HA LEU 50 12.194 -7.524 12.566 380 HB2 LEU 50 1HB LEU 50 14.598 -8.200 12.492 381 HB3 LEU 50 2HB LEU 50 14.845 -7.410 14.048 382 HG LEU 50 HG LEU 50 12.716 -9.205 14.454 383 HD11 LEU 50 1HD1 LEU 50 13.558 -11.324 13.763 384 HD12 LEU 50 2HD1 LEU 50 14.988 -10.557 13.028 385 HD13 LEU 50 3HD1 LEU 50 13.368 -10.271 12.342 386 HD21 LEU 50 1HD2 LEU 50 15.665 -9.396 15.156 387 HD22 LEU 50 2HD2 LEU 50 14.360 -10.337 15.913 388 HD23 LEU 50 3HD2 LEU 50 14.396 -8.574 16.094 389 H HIS 51 H HIS 51 10.660 -7.587 14.097 390 HA HIS 51 HA HIS 51 9.433 -7.082 15.958 391 HB2 HIS 51 1HB HIS 51 12.165 -6.970 17.286 392 HB3 HIS 51 2HB HIS 51 10.612 -7.140 18.117 393 HD1 HIS 51 HD1 HIS 51 12.696 -9.346 18.534 394 HD2 HIS 51 HD2 HIS 51 9.857 -9.430 15.489 395 HE1 HIS 51 HE1 HIS 51 12.413 -11.769 17.851 396 H GLY 52 H GLY 52 10.263 -4.775 14.292 397 HA2 GLY 52 1HA GLY 52 9.696 -2.528 14.442 398 HA3 GLY 52 2HA GLY 52 9.447 -2.718 16.179 399 H ARG 53 H ARG 53 12.510 -3.914 15.262 400 HA ARG 53 HA ARG 53 13.800 -1.332 16.076 401 HB2 ARG 53 1HB ARG 53 13.882 -3.696 17.433 402 HB3 ARG 53 2HB ARG 53 15.189 -3.987 16.299 403 HG2 ARG 53 1HG ARG 53 15.070 -1.544 18.113 404 HG3 ARG 53 2HG ARG 53 15.834 -3.076 18.569 405 HD2 ARG 53 1HD ARG 53 17.204 -2.802 16.376 406 HD3 ARG 53 2HD ARG 53 16.702 -1.104 16.452 407 HE ARG 53 HE ARG 53 17.728 -1.948 18.987 408 HH11 ARG 53 1HH1 ARG 53 18.934 -1.095 15.747 409 HH12 ARG 53 2HH1 ARG 53 20.498 -0.644 16.393 410 HH21 ARG 53 1HH2 ARG 53 19.753 -1.348 19.665 411 HH22 ARG 53 2HH2 ARG 53 20.935 -0.757 18.518 412 H GLN 54 H GLN 54 15.395 -0.642 14.665 413 HA GLN 54 HA GLN 54 15.714 -2.242 12.161 414 HB2 GLN 54 1HB GLN 54 15.077 0.507 12.663 415 HB3 GLN 54 2HB GLN 54 16.671 0.433 11.894 416 HG2 GLN 54 1HG GLN 54 15.743 -0.886 10.087 417 HG3 GLN 54 2HG GLN 54 14.156 -0.856 10.872 418 HE21 GLN 54 1HE2 GLN 54 15.589 2.626 9.200 419 HE22 GLN 54 2HE2 GLN 54 16.708 1.448 9.838 420 H GLY 55 H GLY 55 17.821 -2.640 11.400 421 HA2 GLY 55 1HA GLY 55 20.103 -1.304 12.413 422 HA3 GLY 55 2HA GLY 55 19.855 -2.768 13.375 423 H ILE 56 H ILE 56 22.161 -2.596 12.106 424 HA ILE 56 HA ILE 56 21.983 -3.848 9.457 425 HB ILE 56 HB ILE 56 24.442 -3.785 9.460 426 HG12 ILE 56 1HG1 ILE 56 24.154 -2.787 12.333 427 HG13 ILE 56 2HG1 ILE 56 24.784 -4.357 11.860 428 HG21 ILE 56 1HG2 ILE 56 24.692 -1.412 9.389 429 HG22 ILE 56 2HG2 ILE 56 22.985 -1.708 9.017 430 HG23 ILE 56 3HG2 ILE 56 23.451 -1.147 10.639 431 HD11 ILE 56 1HD1 ILE 56 26.029 -1.623 11.464 432 HD12 ILE 56 2HD1 ILE 56 26.661 -3.009 12.380 433 HD13 ILE 56 3HD1 ILE 56 26.613 -3.065 10.607 434 H VAL 57 H VAL 57 22.875 -5.859 8.954 435 HA VAL 57 HA VAL 57 23.150 -7.828 11.181 436 HB VAL 57 HB VAL 57 21.380 -8.130 8.734 437 HG11 VAL 57 1HG1 VAL 57 20.665 -10.256 9.759 438 HG12 VAL 57 2HG1 VAL 57 22.345 -10.235 9.197 439 HG13 VAL 57 3HG1 VAL 57 21.983 -10.055 10.928 440 HG21 VAL 57 1HG2 VAL 57 19.511 -8.329 10.389 441 HG22 VAL 57 2HG2 VAL 57 20.668 -7.831 11.648 442 HG23 VAL 57 3HG2 VAL 57 20.251 -6.719 10.324 443 HA PRO 58 HA PRO 58 26.382 -8.953 8.298 444 HB2 PRO 58 1HB PRO 58 27.008 -11.476 9.162 445 HB3 PRO 58 2HB PRO 58 27.454 -10.007 10.080 446 HG2 PRO 58 1HG PRO 58 25.087 -11.812 10.467 447 HG3 PRO 58 2HG PRO 58 26.267 -11.245 11.682 448 HD2 PRO 58 1HD PRO 58 23.891 -10.053 11.360 449 HD3 PRO 58 2HD PRO 58 25.339 -9.093 11.710 450 H GLY 59 H GLY 59 25.824 -9.325 6.226 451 HA2 GLY 59 1HA GLY 59 23.481 -10.694 5.473 452 HA3 GLY 59 2HA GLY 59 24.793 -10.217 4.393 453 H ASN 60 H ASN 60 26.697 -11.989 5.998 454 HA ASN 60 HA ASN 60 26.199 -14.367 4.398 455 HB2 ASN 60 1HB ASN 60 28.315 -15.178 5.223 456 HB3 ASN 60 2HB ASN 60 28.474 -13.485 4.734 457 HD21 ASN 60 1HD2 ASN 60 30.291 -13.835 7.894 458 HD22 ASN 60 2HD2 ASN 60 30.391 -14.471 6.264 459 H ARG 61 H ARG 61 24.912 -13.403 7.353 460 HA ARG 61 HA ARG 61 24.457 -16.268 8.101 461 HB2 ARG 61 1HB ARG 61 24.101 -13.742 9.756 462 HB3 ARG 61 2HB ARG 61 23.720 -15.382 10.287 463 HG2 ARG 61 1HG ARG 61 26.145 -15.976 9.942 464 HG3 ARG 61 2HG ARG 61 26.461 -14.246 9.680 465 HD2 ARG 61 1HD ARG 61 25.489 -13.744 11.889 466 HD3 ARG 61 2HD ARG 61 25.167 -15.467 12.129 467 HE ARG 61 HE ARG 61 27.956 -15.040 11.551 468 HH11 ARG 61 1HH1 ARG 61 25.624 -14.754 14.217 469 HH12 ARG 61 2HH1 ARG 61 26.883 -14.866 15.419 470 HH21 ARG 61 1HH2 ARG 61 29.455 -15.224 13.134 471 HH22 ARG 61 2HH2 ARG 61 29.008 -15.130 14.825 472 H LEU 62 H LEU 62 23.190 -14.021 6.167 473 HA LEU 62 HA LEU 62 20.379 -14.659 6.947 474 HB2 LEU 62 1HB LEU 62 21.701 -12.163 6.031 475 HB3 LEU 62 2HB LEU 62 20.171 -12.541 5.258 476 HG LEU 62 HG LEU 62 20.615 -12.172 8.214 477 HD11 LEU 62 1HD1 LEU 62 20.704 -10.126 6.828 478 HD12 LEU 62 2HD1 LEU 62 19.267 -10.145 7.864 479 HD13 LEU 62 3HD1 LEU 62 19.116 -10.536 6.135 480 HD21 LEU 62 1HD2 LEU 62 18.852 -13.709 8.146 481 HD22 LEU 62 2HD2 LEU 62 18.155 -13.001 6.682 482 HD23 LEU 62 3HD2 LEU 62 18.044 -12.149 8.230 483 H LYS 63 H LYS 63 18.892 -15.049 5.379 484 HA LYS 63 HA LYS 63 19.995 -15.448 2.613 485 HB2 LYS 63 1HB LYS 63 19.630 -17.641 3.642 486 HB3 LYS 63 2HB LYS 63 17.985 -17.196 4.092 487 HG2 LYS 63 1HG LYS 63 17.258 -17.166 1.820 488 HG3 LYS 63 2HG LYS 63 18.913 -17.201 1.202 489 HD2 LYS 63 1HD LYS 63 17.701 -19.463 2.817 490 HD3 LYS 63 2HD LYS 63 17.623 -19.374 1.044 491 HE2 LYS 63 1HE LYS 63 20.101 -19.167 0.983 492 HE3 LYS 63 2HE LYS 63 20.143 -19.419 2.734 493 HZ1 LYS 63 1HZ LYS 63 19.114 -21.358 0.763 494 HZ2 LYS 63 2HZ LYS 63 19.162 -21.588 2.395 495 HZ3 LYS 63 3HZ LYS 63 20.568 -21.460 1.540 496 H ILE 64 H ILE 64 19.085 -14.117 1.272 497 HA ILE 64 HA ILE 64 16.647 -12.696 1.879 498 HB ILE 64 HB ILE 64 18.034 -13.144 -0.805 499 HG12 ILE 64 1HG1 ILE 64 19.564 -12.109 0.817 500 HG13 ILE 64 2HG1 ILE 64 19.130 -11.018 -0.491 501 HG21 ILE 64 1HG2 ILE 64 15.947 -11.173 0.117 502 HG22 ILE 64 2HG2 ILE 64 16.897 -10.940 -1.366 503 HG23 ILE 64 3HG2 ILE 64 15.823 -12.347 -1.202 504 HD11 ILE 64 1HD1 ILE 64 18.081 -10.915 2.361 505 HD12 ILE 64 2HD1 ILE 64 19.183 -9.767 1.579 506 HD13 ILE 64 3HD1 ILE 64 17.501 -9.861 1.046 507 H LEU 65 H LEU 65 14.605 -13.400 1.601 508 HA LEU 65 HA LEU 65 14.245 -16.015 0.232 509 HB2 LEU 65 1HB LEU 65 12.276 -14.380 1.862 510 HB3 LEU 65 2HB LEU 65 12.046 -16.023 1.273 511 HG LEU 65 HG LEU 65 14.074 -15.127 3.352 512 HD11 LEU 65 1HD1 LEU 65 11.755 -15.075 4.130 513 HD12 LEU 65 2HD1 LEU 65 12.652 -16.386 4.909 514 HD13 LEU 65 3HD1 LEU 65 11.524 -16.758 3.591 515 HD21 LEU 65 1HD2 LEU 65 13.503 -17.914 2.247 516 HD22 LEU 65 2HD2 LEU 65 14.441 -17.593 3.724 517 HD23 LEU 65 3HD2 LEU 65 15.045 -17.024 2.163 518 H VAL 66 H VAL 66 14.571 -15.301 -1.867 519 HA VAL 66 HA VAL 66 13.143 -13.045 -2.982 520 HB VAL 66 HB VAL 66 14.495 -15.420 -4.375 521 HG11 VAL 66 1HG1 VAL 66 13.656 -12.688 -5.458 522 HG12 VAL 66 2HG1 VAL 66 14.645 -13.873 -6.338 523 HG13 VAL 66 3HG1 VAL 66 12.971 -14.269 -5.911 524 HG21 VAL 66 1HG2 VAL 66 16.429 -13.864 -4.678 525 HG22 VAL 66 2HG2 VAL 66 15.585 -12.660 -3.673 526 HG23 VAL 66 3HG2 VAL 66 16.104 -14.206 -2.969 527 H GLY 67 H GLY 67 11.108 -12.982 -3.786 528 HA2 GLY 67 1HA GLY 67 9.484 -15.417 -3.636 529 HA3 GLY 67 2HA GLY 67 8.921 -13.781 -4.047 530 H MET 68 H MET 68 8.523 -16.436 -5.384 531 HA MET 68 HA MET 68 8.322 -17.274 -7.488 532 HB2 MET 68 1HB MET 68 7.840 -14.610 -7.771 533 HB3 MET 68 2HB MET 68 9.190 -14.801 -8.893 534 HG2 MET 68 1HG MET 68 7.914 -16.619 -10.046 535 HG3 MET 68 2HG MET 68 6.554 -16.307 -8.946 536 HE1 MET 68 1HE MET 68 6.089 -16.225 -12.032 537 HE2 MET 68 2HE MET 68 4.808 -15.731 -10.895 538 HE3 MET 68 3HE MET 68 5.226 -14.686 -12.271 539 H TYR 69 H TYR 69 9.581 -17.150 -9.809 540 HA TYR 69 HA TYR 69 11.345 -17.775 -11.034 541 HB2 TYR 69 1HB TYR 69 13.189 -16.568 -8.980 542 HB3 TYR 69 2HB TYR 69 13.474 -16.808 -10.706 543 HD1 TYR 69 HD1 TYR 69 12.342 -14.508 -8.196 544 HD2 TYR 69 HD2 TYR 69 11.834 -15.524 -12.347 545 HE1 TYR 69 HE1 TYR 69 11.401 -12.245 -8.640 546 HE2 TYR 69 HE2 TYR 69 10.896 -13.249 -12.781 547 HH TYR 69 HH TYR 69 10.506 -10.828 -10.193 548 H ASP 70 H ASP 70 11.888 -18.665 -7.600 549 HA ASP 70 HA ASP 70 13.755 -20.771 -8.244 550 HB2 ASP 70 1HB ASP 70 13.324 -19.723 -5.947 551 HB3 ASP 70 2HB ASP 70 11.872 -20.734 -5.861 552 H LYS 71 H LYS 71 13.433 -22.821 -8.832 553 HA LYS 71 HA LYS 71 10.698 -23.931 -9.036 554 HB2 LYS 71 1HB LYS 71 11.111 -24.546 -11.417 555 HB3 LYS 71 2HB LYS 71 10.931 -22.817 -11.120 556 HG2 LYS 71 1HG LYS 71 13.463 -22.629 -11.144 557 HG3 LYS 71 2HG LYS 71 13.503 -24.310 -11.718 558 HD2 LYS 71 1HD LYS 71 12.118 -23.674 -13.648 559 HD3 LYS 71 2HD LYS 71 11.983 -22.023 -13.016 560 HE2 LYS 71 1HE LYS 71 13.658 -22.000 -14.740 561 HE3 LYS 71 2HE LYS 71 14.475 -21.805 -13.176 562 HZ1 LYS 71 1HZ LYS 71 14.276 -24.330 -14.722 563 HZ2 LYS 71 2HZ LYS 71 15.001 -24.181 -13.249 564 HZ3 LYS 71 3HZ LYS 71 15.628 -23.400 -14.560 565 H LYS 72 H LYS 72 12.932 -24.432 -7.310 566 HA LYS 72 HA LYS 72 14.206 -26.928 -8.260 567 HB2 LYS 72 1HB LYS 72 14.169 -25.467 -5.588 568 HB3 LYS 72 2HB LYS 72 15.108 -26.924 -5.909 569 HG2 LYS 72 1HG LYS 72 16.480 -25.768 -7.537 570 HG3 LYS 72 2HG LYS 72 15.441 -24.335 -7.460 571 HD2 LYS 72 1HD LYS 72 17.396 -23.878 -6.146 572 HD3 LYS 72 2HD LYS 72 16.031 -24.094 -5.036 573 HE2 LYS 72 1HE LYS 72 16.768 -26.445 -4.622 574 HE3 LYS 72 2HE LYS 72 18.155 -26.182 -5.706 575 HZ1 LYS 72 1HZ LYS 72 17.591 -24.672 -3.230 576 HZ2 LYS 72 2HZ LYS 72 18.892 -24.434 -4.217 577 HZ3 LYS 72 3HZ LYS 72 18.733 -25.854 -3.388 578 HA PRO 73 HA PRO 73 11.044 -29.439 -6.462 579 HB2 PRO 73 1HB PRO 73 12.355 -31.572 -5.353 580 HB3 PRO 73 2HB PRO 73 12.203 -31.363 -7.129 581 HG2 PRO 73 1HG PRO 73 14.493 -30.603 -5.325 582 HG3 PRO 73 2HG PRO 73 14.521 -31.561 -6.843 583 HD2 PRO 73 1HD PRO 73 15.109 -28.931 -6.841 584 HD3 PRO 73 2HD PRO 73 14.166 -29.664 -8.180 585 H ALA 74 H ALA 74 10.065 -29.894 -4.415 586 HA ALA 74 HA ALA 74 11.534 -29.071 -1.976 587 HB1 ALA 74 1HB ALA 74 10.398 -27.008 -2.835 588 HB2 ALA 74 2HB ALA 74 8.850 -27.886 -2.865 589 HB3 ALA 74 3HB ALA 74 9.664 -27.575 -1.314 590 H GLY 75 H GLY 75 10.114 -29.649 -0.016 591 HA2 GLY 75 1HA GLY 75 7.934 -31.471 -0.339 592 HA3 GLY 75 2HA GLY 75 9.454 -32.363 -0.098 593 H SER 76 H SER 76 8.120 -32.970 1.911 594 HA SER 76 HA SER 76 7.693 -31.057 3.975 595 HB2 SER 76 1HB SER 76 8.190 -34.048 4.209 596 HB3 SER 76 2HB SER 76 7.362 -33.015 5.395 597 HG SER 76 HG SER 76 5.888 -34.125 4.038 598 H GLY 77 H GLY 77 8.770 -30.762 5.955 599 HA2 GLY 77 1HA GLY 77 11.715 -31.123 5.806 600 HA3 GLY 77 2HA GLY 77 10.835 -30.043 6.906 601 H GLY 78 H GLY 78 11.774 -30.863 8.814 602 HA2 GLY 78 1HA GLY 78 11.230 -32.190 10.705 603 HA3 GLY 78 2HA GLY 78 10.592 -33.446 9.645 604 H SER 79 H SER 79 13.708 -32.079 8.890 605 HA SER 79 HA SER 79 15.024 -34.627 9.237 606 HB2 SER 79 1HB SER 79 15.694 -32.893 7.548 607 HB3 SER 79 2HB SER 79 16.259 -31.866 8.883 608 HG SER 79 HG SER 79 18.007 -33.025 8.150 609 H GLY 80 H GLY 80 16.877 -34.972 10.666 610 HA2 GLY 80 1HA GLY 80 16.270 -34.074 13.385 611 HA3 GLY 80 2HA GLY 80 17.461 -35.286 12.895 612 H SER 81 H SER 81 19.155 -34.567 14.079 613 HA SER 81 HA SER 81 20.950 -33.328 14.711 614 HB2 SER 81 1HB SER 81 20.631 -31.975 12.016 615 HB3 SER 81 2HB SER 81 22.099 -32.027 13.015 616 HG SER 81 HG SER 81 22.216 -33.655 11.483 617 H GLY 82 H GLY 82 18.295 -32.276 15.456 618 HA2 GLY 82 1HA GLY 82 18.517 -29.383 15.327 619 HA3 GLY 82 2HA GLY 82 17.351 -30.320 16.276 620 H LEU 83 H LEU 83 20.023 -31.753 17.248 621 HA LEU 83 HA LEU 83 20.813 -29.682 19.244 622 HB2 LEU 83 1HB LEU 83 20.172 -32.610 19.763 623 HB3 LEU 83 2HB LEU 83 20.959 -31.544 20.923 624 HG LEU 83 HG LEU 83 18.148 -31.135 19.847 625 HD11 LEU 83 1HD1 LEU 83 17.413 -31.941 22.050 626 HD12 LEU 83 2HD1 LEU 83 19.102 -32.268 22.507 627 HD13 LEU 83 3HD1 LEU 83 18.341 -33.188 21.193 628 HD21 LEU 83 1HD2 LEU 83 17.942 -29.570 21.779 629 HD22 LEU 83 2HD2 LEU 83 19.146 -29.029 20.598 630 HD23 LEU 83 3HD2 LEU 83 19.675 -29.788 22.120 631 H THR 84 H THR 84 22.600 -29.365 17.757 632 HA THR 84 HA THR 84 24.848 -31.128 18.412 633 HB THR 84 HB THR 84 23.906 -32.145 16.278 634 HG1 THR 84 HG1 THR 84 26.273 -30.936 15.466 635 HG21 THR 84 1HG2 THR 84 24.097 -30.926 14.190 636 HG22 THR 84 2HG2 THR 84 24.718 -29.493 15.032 637 HG23 THR 84 3HG2 THR 84 23.042 -30.019 15.292 638 H ASP 85 H ASP 85 26.886 -29.931 17.508 639 HA ASP 85 HA ASP 85 26.582 -27.074 18.063 640 HB2 ASP 85 1HB ASP 85 28.593 -28.437 18.753 641 HB3 ASP 85 2HB ASP 85 29.001 -28.608 17.036 642 H GLU 86 H GLU 86 26.715 -25.420 16.598 643 HA GLU 86 HA GLU 86 27.230 -26.012 13.759 644 HB2 GLU 86 1HB GLU 86 24.767 -26.310 14.042 645 HB3 GLU 86 2HB GLU 86 24.661 -24.660 14.671 646 HG2 GLU 86 1HG GLU 86 25.532 -23.797 12.520 647 HG3 GLU 86 2HG GLU 86 25.604 -25.451 11.891 648 H LEU 87 H LEU 87 29.040 -24.740 13.802 649 HA LEU 87 HA LEU 87 29.005 -22.175 15.170 650 HB2 LEU 87 1HB LEU 87 31.083 -23.423 13.347 651 HB3 LEU 87 2HB LEU 87 31.316 -21.966 14.313 652 HG LEU 87 HG LEU 87 30.805 -24.753 15.420 653 HD11 LEU 87 1HD1 LEU 87 33.006 -24.499 14.339 654 HD12 LEU 87 2HD1 LEU 87 33.154 -24.686 16.096 655 HD13 LEU 87 3HD1 LEU 87 33.344 -23.075 15.350 656 HD21 LEU 87 1HD2 LEU 87 29.953 -23.087 16.981 657 HD22 LEU 87 2HD2 LEU 87 31.456 -22.135 16.845 658 HD23 LEU 87 3HD2 LEU 87 31.468 -23.750 17.600 659 H ALA 88 H ALA 88 28.628 -20.242 14.378 660 HA ALA 88 HA ALA 88 27.667 -20.009 11.633 661 HB1 ALA 88 1HB ALA 88 26.950 -17.786 12.345 662 HB2 ALA 88 2HB ALA 88 26.519 -18.972 13.598 663 HB3 ALA 88 3HB ALA 88 27.925 -17.912 13.827 664 HA PRO 89 HA PRO 89 31.441 -18.272 10.108 665 HB2 PRO 89 1HB PRO 89 30.631 -16.590 8.116 666 HB3 PRO 89 2HB PRO 89 30.543 -18.371 7.972 667 HG2 PRO 89 1HG PRO 89 28.385 -16.423 8.770 668 HG3 PRO 89 2HG PRO 89 28.318 -17.716 7.530 669 HD2 PRO 89 1HD PRO 89 27.341 -18.091 10.023 670 HD3 PRO 89 2HD PRO 89 28.183 -19.410 9.140 671 HA PRO 90 HA PRO 90 31.890 -14.541 12.318 672 HB2 PRO 90 1HB PRO 90 34.020 -13.270 11.181 673 HB3 PRO 90 2HB PRO 90 34.195 -14.814 12.080 674 HG2 PRO 90 1HG PRO 90 33.968 -14.373 9.115 675 HG3 PRO 90 2HG PRO 90 35.166 -15.350 10.025 676 HD2 PRO 90 1HD PRO 90 32.986 -16.458 8.854 677 HD3 PRO 90 2HD PRO 90 33.621 -17.081 10.411 678 H LYS 91 H LYS 91 31.440 -12.280 12.341 679 HA LYS 91 HA LYS 91 29.813 -11.358 10.093 680 HB2 LYS 91 1HB LYS 91 29.477 -9.344 11.512 681 HB3 LYS 91 2HB LYS 91 29.069 -10.840 12.349 682 HG2 LYS 91 1HG LYS 91 31.157 -10.760 13.623 683 HG3 LYS 91 2HG LYS 91 31.705 -9.352 12.703 684 HD2 LYS 91 1HD LYS 91 30.907 -8.618 14.868 685 HD3 LYS 91 2HD LYS 91 29.810 -8.022 13.616 686 HE2 LYS 91 1HE LYS 91 28.187 -9.794 14.153 687 HE3 LYS 91 2HE LYS 91 29.321 -10.492 15.334 688 HZ1 LYS 91 1HZ LYS 91 28.136 -7.782 15.519 689 HZ2 LYS 91 2HZ LYS 91 29.154 -8.485 16.631 690 HZ3 LYS 91 3HZ LYS 91 27.635 -9.088 16.373 691 HA PRO 92 HA PRO 92 33.154 -9.118 8.219 692 HB2 PRO 92 1HB PRO 92 31.860 -6.964 7.087 693 HB3 PRO 92 2HB PRO 92 31.761 -8.620 6.425 694 HG2 PRO 92 1HG PRO 92 29.839 -7.163 8.144 695 HG3 PRO 92 2HG PRO 92 29.537 -8.160 6.709 696 HD2 PRO 92 1HD PRO 92 29.192 -9.032 9.263 697 HD3 PRO 92 2HD PRO 92 29.674 -10.124 7.920 698 HA PRO 93 HA PRO 93 34.252 -6.157 11.252 699 HB2 PRO 93 1HB PRO 93 36.002 -4.462 10.035 700 HB3 PRO 93 2HB PRO 93 36.381 -6.197 10.272 701 HG2 PRO 93 1HG PRO 93 35.248 -4.830 7.845 702 HG3 PRO 93 2HG PRO 93 36.682 -5.902 7.967 703 HD2 PRO 93 1HD PRO 93 34.278 -6.843 7.205 704 HD3 PRO 93 2HD PRO 93 35.360 -7.824 8.251 705 H LEU 94 H LEU 94 34.457 -3.728 11.747 706 HA LEU 94 HA LEU 94 32.476 -2.102 10.248 707 HB2 LEU 94 1HB LEU 94 32.539 -2.761 13.199 708 HB3 LEU 94 2HB LEU 94 31.892 -1.225 12.656 709 HG LEU 94 HG LEU 94 30.819 -3.957 11.892 710 HD11 LEU 94 1HD1 LEU 94 29.687 -1.732 13.600 711 HD12 LEU 94 2HD1 LEU 94 30.397 -3.247 14.219 712 HD13 LEU 94 3HD1 LEU 94 28.912 -3.294 13.246 713 HD21 LEU 94 1HD2 LEU 94 28.925 -2.672 10.930 714 HD22 LEU 94 2HD2 LEU 94 30.435 -2.385 10.068 715 HD23 LEU 94 3HD2 LEU 94 29.820 -1.161 11.203 716 HA PRO 95 HA PRO 95 35.601 0.994 10.716 717 HB2 PRO 95 1HB PRO 95 34.172 3.311 10.641 718 HB3 PRO 95 2HB PRO 95 34.248 2.213 9.225 719 HG2 PRO 95 1HG PRO 95 32.140 2.412 11.365 720 HG3 PRO 95 2HG PRO 95 31.951 2.454 9.579 721 HD2 PRO 95 1HD PRO 95 31.599 0.182 11.010 722 HD3 PRO 95 2HD PRO 95 32.327 0.145 9.374 723 H GLU 96 H GLU 96 36.215 2.976 11.992 724 HA GLU 96 HA GLU 96 35.971 2.410 14.831 725 HB2 GLU 96 1HB GLU 96 38.034 3.169 13.480 726 HB3 GLU 96 2HB GLU 96 37.346 4.788 13.542 727 HG2 GLU 96 1HG GLU 96 38.904 4.695 15.327 728 HG3 GLU 96 2HG GLU 96 37.317 4.527 16.097 729 H GLY 97 H GLY 97 33.443 2.915 14.299 730 HA2 GLY 97 1HA GLY 97 31.739 4.200 15.257 731 HA3 GLY 97 2HA GLY 97 32.950 5.373 15.794 732 H GLU 98 H GLU 98 32.851 7.311 14.883 733 HA GLU 98 HA GLU 98 30.917 7.941 12.891 734 HB2 GLU 98 1HB GLU 98 31.773 9.532 14.602 735 HB3 GLU 98 2HB GLU 98 33.347 9.531 13.805 736 HG2 GLU 98 1HG GLU 98 32.242 11.525 13.132 737 HG3 GLU 98 2HG GLU 98 32.216 10.442 11.737 738 H VAL 99 H VAL 99 30.967 7.763 10.747 739 HA VAL 99 HA VAL 99 33.389 6.720 9.529 740 HB VAL 99 HB VAL 99 30.805 7.359 8.049 741 HG11 VAL 99 1HG1 VAL 99 32.965 5.187 7.647 742 HG12 VAL 99 2HG1 VAL 99 31.512 5.397 6.649 743 HG13 VAL 99 3HG1 VAL 99 32.765 6.642 6.655 744 HG21 VAL 99 1HG2 VAL 99 30.153 4.926 8.632 745 HG22 VAL 99 2HG2 VAL 99 31.408 4.958 9.882 746 HG23 VAL 99 3HG2 VAL 99 30.027 6.062 9.970 747 HXT VAL 99 H02 VAL 99 34.211 8.606 10.232 Start of MODEL 28 1 H2 GLY 1 2H0 GLY 1 5.523 5.378 -5.985 2 H GLY 1 1H0 GLY 1 4.355 6.429 -5.523 3 HA2 GLY 1 1HA GLY 1 3.222 4.799 -4.187 4 HA3 GLY 1 2HA GLY 1 3.502 4.123 -5.812 5 H SER 2 H SER 2 6.282 4.472 -4.010 6 HA SER 2 HA SER 2 6.150 1.797 -2.735 7 HB2 SER 2 1HB SER 2 8.303 2.541 -4.763 8 HB3 SER 2 2HB SER 2 8.221 1.039 -3.815 9 HG SER 2 HG SER 2 5.904 1.197 -4.960 10 H MET 3 H MET 3 7.942 1.458 -1.250 11 HA MET 3 HA MET 3 8.737 3.920 0.093 12 HB2 MET 3 1HB MET 3 9.550 1.021 0.507 13 HB3 MET 3 2HB MET 3 9.946 2.346 1.604 14 HG2 MET 3 1HG MET 3 7.138 1.390 0.945 15 HG3 MET 3 2HG MET 3 8.051 0.994 2.411 16 HE1 MET 3 1HE MET 3 6.044 1.909 3.942 17 HE2 MET 3 2HE MET 3 5.328 3.524 3.746 18 HE3 MET 3 3HE MET 3 5.119 2.299 2.473 19 H LYS 4 H LYS 4 11.077 4.305 0.630 20 HA LYS 4 HA LYS 4 12.738 4.049 -1.779 21 HB2 LYS 4 1HB LYS 4 13.033 5.491 0.869 22 HB3 LYS 4 2HB LYS 4 14.380 5.379 -0.270 23 HG2 LYS 4 1HG LYS 4 11.688 6.562 -1.013 24 HG3 LYS 4 2HG LYS 4 13.066 7.509 -0.410 25 HD2 LYS 4 1HD LYS 4 14.462 6.597 -2.281 26 HD3 LYS 4 2HD LYS 4 13.017 5.800 -2.934 27 HE2 LYS 4 1HE LYS 4 11.911 7.996 -3.149 28 HE3 LYS 4 2HE LYS 4 13.375 8.788 -2.514 29 HZ1 LYS 4 1HZ LYS 4 13.241 7.155 -4.988 30 HZ2 LYS 4 2HZ LYS 4 14.603 7.874 -4.396 31 HZ3 LYS 4 3HZ LYS 4 13.345 8.799 -4.930 32 H TYR 5 H TYR 5 12.022 1.700 -0.035 33 HA TYR 5 HA TYR 5 14.795 0.702 0.334 34 HB2 TYR 5 1HB TYR 5 12.504 0.587 2.313 35 HB3 TYR 5 2HB TYR 5 13.894 -0.499 2.383 36 HD1 TYR 5 HD1 TYR 5 16.276 0.757 2.186 37 HD2 TYR 5 HD2 TYR 5 12.638 2.578 3.585 38 HE1 TYR 5 HE1 TYR 5 17.605 2.451 3.408 39 HE2 TYR 5 HE2 TYR 5 13.983 4.281 4.823 40 HH TYR 5 HH TYR 5 16.082 5.037 5.363 41 H LEU 6 H LEU 6 14.948 -1.594 0.366 42 HA LEU 6 HA LEU 6 13.567 -2.729 -1.865 43 HB2 LEU 6 1HB LEU 6 15.132 -4.128 0.336 44 HB3 LEU 6 2HB LEU 6 14.760 -4.785 -1.248 45 HG LEU 6 HG LEU 6 16.606 -2.451 -0.741 46 HD11 LEU 6 1HD1 LEU 6 18.410 -4.056 -1.244 47 HD12 LEU 6 2HD1 LEU 6 17.211 -5.366 -1.399 48 HD13 LEU 6 3HD1 LEU 6 17.475 -4.573 0.175 49 HD21 LEU 6 1HD2 LEU 6 15.619 -2.339 -2.972 50 HD22 LEU 6 2HD2 LEU 6 16.046 -4.041 -3.268 51 HD23 LEU 6 3HD2 LEU 6 17.323 -2.817 -3.079 52 H ASN 7 H ASN 7 13.205 -3.239 1.641 53 HA ASN 7 HA ASN 7 11.648 -4.324 2.901 54 HB2 ASN 7 1HB ASN 7 9.867 -3.342 0.663 55 HB3 ASN 7 2HB ASN 7 9.261 -4.083 2.153 56 HD21 ASN 7 1HD2 ASN 7 10.457 -0.263 2.140 57 HD22 ASN 7 2HD2 ASN 7 10.520 -1.261 0.699 58 H VAL 8 H VAL 8 13.087 -6.214 1.786 59 HA VAL 8 HA VAL 8 11.140 -8.208 0.693 60 HB VAL 8 HB VAL 8 12.819 -9.134 -0.585 61 HG11 VAL 8 1HG1 VAL 8 14.313 -6.563 0.026 62 HG12 VAL 8 2HG1 VAL 8 14.400 -7.542 -1.459 63 HG13 VAL 8 3HG1 VAL 8 12.906 -6.667 -1.076 64 HG21 VAL 8 1HG2 VAL 8 14.155 -10.104 1.091 65 HG22 VAL 8 2HG2 VAL 8 15.270 -9.123 0.126 66 HG23 VAL 8 3HG2 VAL 8 14.701 -8.534 1.691 67 H LEU 9 H LEU 9 11.429 -10.452 1.652 68 HA LEU 9 HA LEU 9 11.999 -10.176 4.563 69 HB2 LEU 9 1HB LEU 9 10.693 -12.423 3.002 70 HB3 LEU 9 2HB LEU 9 10.900 -12.373 4.746 71 HG LEU 9 HG LEU 9 9.162 -10.496 3.110 72 HD11 LEU 9 1HD1 LEU 9 7.297 -11.687 4.195 73 HD12 LEU 9 2HD1 LEU 9 8.456 -12.760 5.014 74 HD13 LEU 9 3HD1 LEU 9 8.302 -12.796 3.240 75 HD21 LEU 9 1HD2 LEU 9 9.983 -9.317 5.082 76 HD22 LEU 9 2HD2 LEU 9 9.569 -10.697 6.124 77 HD23 LEU 9 3HD2 LEU 9 8.288 -9.759 5.326 78 H ALA 10 H ALA 10 13.558 -11.400 5.603 79 HA ALA 10 HA ALA 10 15.107 -13.320 3.926 80 HB1 ALA 10 1HB ALA 10 17.213 -12.419 4.768 81 HB2 ALA 10 2HB ALA 10 16.307 -11.165 3.905 82 HB3 ALA 10 3HB ALA 10 16.335 -11.167 5.683 83 H LYS 11 H LYS 11 15.905 -15.074 5.039 84 HA LYS 11 HA LYS 11 14.931 -15.332 7.861 85 HB2 LYS 11 1HB LYS 11 14.059 -17.020 6.365 86 HB3 LYS 11 2HB LYS 11 15.665 -17.421 5.769 87 HG2 LYS 11 1HG LYS 11 16.303 -18.448 7.800 88 HG3 LYS 11 2HG LYS 11 14.963 -17.721 8.700 89 HD2 LYS 11 1HD LYS 11 14.517 -19.732 6.479 90 HD3 LYS 11 2HD LYS 11 14.811 -20.198 8.172 91 HE2 LYS 11 1HE LYS 11 12.913 -18.559 8.766 92 HE3 LYS 11 2HE LYS 11 12.498 -18.609 7.045 93 HZ1 LYS 11 1HZ LYS 11 11.235 -20.207 8.336 94 HZ2 LYS 11 2HZ LYS 11 12.604 -20.945 8.871 95 HZ3 LYS 11 3HZ LYS 11 12.199 -21.011 7.268 96 H ALA 12 H ALA 12 16.281 -15.765 9.504 97 HA ALA 12 HA ALA 12 19.156 -15.471 9.144 98 HB1 ALA 12 1HB ALA 12 18.011 -14.639 11.132 99 HB2 ALA 12 2HB ALA 12 17.409 -16.261 11.505 100 HB3 ALA 12 3HB ALA 12 19.148 -15.921 11.599 101 H LEU 13 H LEU 13 20.622 -17.080 8.697 102 HA LEU 13 HA LEU 13 19.689 -19.908 8.795 103 HB2 LEU 13 1HB LEU 13 22.367 -18.708 8.051 104 HB3 LEU 13 2HB LEU 13 21.946 -20.396 7.931 105 HG LEU 13 HG LEU 13 21.851 -19.845 5.787 106 HD11 LEU 13 1HD1 LEU 13 19.616 -19.565 4.940 107 HD12 LEU 13 2HD1 LEU 13 19.064 -18.859 6.473 108 HD13 LEU 13 3HD1 LEU 13 19.540 -20.573 6.396 109 HD21 LEU 13 1HD2 LEU 13 22.493 -17.500 6.269 110 HD22 LEU 13 2HD2 LEU 13 20.762 -17.108 6.383 111 HD23 LEU 13 3HD2 LEU 13 21.458 -17.707 4.861 112 H TYR 14 H TYR 14 21.326 -17.573 10.674 113 HA TYR 14 HA TYR 14 22.157 -19.625 12.644 114 HB2 TYR 14 1HB TYR 14 23.942 -17.379 11.635 115 HB3 TYR 14 2HB TYR 14 24.325 -18.547 12.900 116 HD1 TYR 14 HD1 TYR 14 24.135 -17.966 9.289 117 HD2 TYR 14 HD2 TYR 14 24.814 -20.932 12.323 118 HE1 TYR 14 HE1 TYR 14 25.086 -19.503 7.568 119 HE2 TYR 14 HE2 TYR 14 25.787 -22.435 10.604 120 HH TYR 14 HH TYR 14 26.180 -22.800 8.403 121 H ASP 15 H ASP 15 22.545 -18.599 14.745 122 HA ASP 15 HA ASP 15 20.746 -16.433 15.338 123 HB2 ASP 15 1HB ASP 15 23.039 -17.650 16.915 124 HB3 ASP 15 2HB ASP 15 21.760 -16.624 17.582 125 H ASN 16 H ASN 16 21.353 -14.346 16.200 126 HA ASN 16 HA ASN 16 24.184 -13.572 15.737 127 HB2 ASN 16 1HB ASN 16 22.725 -12.855 13.751 128 HB3 ASN 16 2HB ASN 16 21.945 -11.735 14.874 129 HD21 ASN 16 1HD2 ASN 16 24.459 -9.357 14.453 130 HD22 ASN 16 2HD2 ASN 16 22.759 -9.734 14.721 131 H VAL 17 H VAL 17 24.986 -12.275 17.250 132 HA VAL 17 HA VAL 17 23.105 -11.270 19.333 133 HB VAL 17 HB VAL 17 26.066 -12.014 19.562 134 HG11 VAL 17 1HG1 VAL 17 24.099 -10.998 21.672 135 HG12 VAL 17 2HG1 VAL 17 25.751 -11.571 21.988 136 HG13 VAL 17 3HG1 VAL 17 25.503 -10.110 21.018 137 HG21 VAL 17 1HG2 VAL 17 25.259 -13.816 21.083 138 HG22 VAL 17 2HG2 VAL 17 23.577 -13.363 20.711 139 HG23 VAL 17 3HG2 VAL 17 24.629 -14.014 19.437 140 H ALA 18 H ALA 18 22.970 -9.135 19.358 141 HA ALA 18 HA ALA 18 24.484 -7.574 17.443 142 HB1 ALA 18 1HB ALA 18 23.133 -5.698 18.360 143 HB2 ALA 18 2HB ALA 18 22.141 -7.081 17.847 144 HB3 ALA 18 3HB ALA 18 22.460 -6.804 19.577 145 H GLU 19 H GLU 19 26.490 -6.983 17.842 146 HA GLU 19 HA GLU 19 27.352 -6.559 20.682 147 HB2 GLU 19 1HB GLU 19 28.892 -7.014 18.099 148 HB3 GLU 19 2HB GLU 19 29.638 -6.705 19.673 149 HG2 GLU 19 1HG GLU 19 28.580 -8.736 20.573 150 HG3 GLU 19 2HG GLU 19 27.828 -9.052 19.008 151 H SER 20 H SER 20 26.557 -5.050 17.727 152 HA SER 20 HA SER 20 27.934 -2.510 18.482 153 HB2 SER 20 1HB SER 20 26.430 -2.954 15.910 154 HB3 SER 20 2HB SER 20 27.854 -1.945 16.221 155 HG SER 20 HG SER 20 27.715 -4.787 16.049 156 HA PRO 21 HA PRO 21 24.060 -0.934 19.797 157 HB2 PRO 21 1HB PRO 21 24.259 1.741 19.221 158 HB3 PRO 21 2HB PRO 21 25.229 0.948 20.507 159 HG2 PRO 21 1HG PRO 21 26.020 1.563 17.660 160 HG3 PRO 21 2HG PRO 21 26.898 1.917 19.180 161 HD2 PRO 21 1HD PRO 21 27.517 -0.202 17.695 162 HD3 PRO 21 2HD PRO 21 27.540 -0.273 19.489 163 H ASP 22 H ASP 22 24.985 -0.731 16.479 164 HA ASP 22 HA ASP 22 22.245 0.070 15.651 165 HB2 ASP 22 1HB ASP 22 24.958 0.129 14.327 166 HB3 ASP 22 2HB ASP 22 23.465 0.264 13.387 167 H GLU 23 H GLU 23 23.749 -2.727 16.402 168 HA GLU 23 HA GLU 23 23.028 -4.172 13.924 169 HB2 GLU 23 1HB GLU 23 25.225 -4.451 15.100 170 HB3 GLU 23 2HB GLU 23 24.366 -5.171 16.458 171 HG2 GLU 23 1HG GLU 23 23.592 -6.984 14.995 172 HG3 GLU 23 2HG GLU 23 24.407 -6.228 13.619 173 H LEU 24 H LEU 24 21.655 -6.012 13.929 174 HA LEU 24 HA LEU 24 19.613 -5.972 16.105 175 HB2 LEU 24 1HB LEU 24 19.617 -7.168 13.333 176 HB3 LEU 24 2HB LEU 24 18.367 -7.506 14.521 177 HG LEU 24 HG LEU 24 19.004 -4.776 13.366 178 HD11 LEU 24 1HD1 LEU 24 18.013 -6.172 11.689 179 HD12 LEU 24 2HD1 LEU 24 16.745 -5.095 12.302 180 HD13 LEU 24 3HD1 LEU 24 16.804 -6.787 12.835 181 HD21 LEU 24 1HD2 LEU 24 16.825 -4.151 14.463 182 HD22 LEU 24 2HD2 LEU 24 18.138 -4.505 15.598 183 HD23 LEU 24 3HD2 LEU 24 16.863 -5.716 15.304 184 H SER 25 H SER 25 19.088 -7.688 17.310 185 HA SER 25 HA SER 25 20.887 -10.056 17.153 186 HB2 SER 25 1HB SER 25 19.705 -10.265 19.567 187 HB3 SER 25 2HB SER 25 21.194 -9.334 19.313 188 HG SER 25 HG SER 25 19.735 -8.039 20.393 189 H PHE 26 H PHE 26 19.991 -11.920 16.644 190 HA PHE 26 HA PHE 26 17.122 -12.414 17.062 191 HB2 PHE 26 1HB PHE 26 16.741 -13.013 14.672 192 HB3 PHE 26 2HB PHE 26 16.966 -11.296 14.968 193 HD1 PHE 26 HD1 PHE 26 18.887 -14.343 13.866 194 HD2 PHE 26 HD2 PHE 26 18.468 -10.070 13.719 195 HE1 PHE 26 HE1 PHE 26 20.613 -14.236 12.066 196 HE2 PHE 26 HE2 PHE 26 20.146 -9.957 11.922 197 HZ PHE 26 HZ PHE 26 21.208 -12.054 11.047 198 H ARG 27 H ARG 27 16.452 -14.578 16.248 199 HA ARG 27 HA ARG 27 18.596 -16.531 16.958 200 HB2 ARG 27 1HB ARG 27 16.380 -16.368 18.224 201 HB3 ARG 27 2HB ARG 27 15.559 -16.796 16.730 202 HG2 ARG 27 1HG ARG 27 15.549 -18.826 17.763 203 HG3 ARG 27 2HG ARG 27 17.066 -18.990 16.884 204 HD2 ARG 27 1HD ARG 27 18.323 -18.380 18.918 205 HD3 ARG 27 2HD ARG 27 16.815 -18.074 19.775 206 HE ARG 27 HE ARG 27 16.423 -20.369 19.968 207 HH11 ARG 27 1HH1 ARG 27 19.363 -19.884 18.046 208 HH12 ARG 27 2HH1 ARG 27 19.823 -21.558 18.186 209 HH21 ARG 27 1HH2 ARG 27 17.091 -22.486 20.078 210 HH22 ARG 27 2HH2 ARG 27 18.561 -22.995 19.296 211 H LYS 28 H LYS 28 18.890 -18.387 15.718 212 HA LYS 28 HA LYS 28 18.755 -18.232 12.869 213 HB2 LYS 28 1HB LYS 28 20.221 -19.765 14.092 214 HB3 LYS 28 2HB LYS 28 18.844 -20.544 14.858 215 HG2 LYS 28 1HG LYS 28 18.170 -21.570 12.806 216 HG3 LYS 28 2HG LYS 28 19.369 -20.658 11.882 217 HD2 LYS 28 1HD LYS 28 21.197 -21.762 12.985 218 HD3 LYS 28 2HD LYS 28 20.119 -22.472 14.203 219 HE2 LYS 28 1HE LYS 28 19.060 -23.848 12.421 220 HE3 LYS 28 2HE LYS 28 20.232 -23.190 11.254 221 HZ1 LYS 28 1HZ LYS 28 22.012 -24.190 12.464 222 HZ2 LYS 28 2HZ LYS 28 20.879 -25.368 12.276 223 HZ3 LYS 28 3HZ LYS 28 21.045 -24.619 13.738 224 H GLY 29 H GLY 29 17.131 -18.480 11.481 225 HA2 GLY 29 1HA GLY 29 15.169 -19.572 10.697 226 HA3 GLY 29 2HA GLY 29 14.683 -19.914 12.357 227 H ASP 30 H ASP 30 15.532 -16.841 12.786 228 HA ASP 30 HA ASP 30 12.811 -15.902 12.716 229 HB2 ASP 30 1HB ASP 30 15.490 -14.563 13.206 230 HB3 ASP 30 2HB ASP 30 13.988 -13.645 13.169 231 H ILE 31 H ILE 31 12.053 -13.981 11.628 232 HA ILE 31 HA ILE 31 13.226 -13.672 8.893 233 HB ILE 31 HB ILE 31 10.294 -13.405 9.727 234 HG12 ILE 31 1HG1 ILE 31 10.891 -15.750 9.673 235 HG13 ILE 31 2HG1 ILE 31 9.902 -15.355 8.274 236 HG21 ILE 31 1HG2 ILE 31 11.704 -13.004 7.037 237 HG22 ILE 31 2HG2 ILE 31 9.941 -13.235 7.189 238 HG23 ILE 31 3HG2 ILE 31 10.723 -11.833 7.944 239 HD11 ILE 31 1HD1 ILE 31 12.821 -16.060 8.391 240 HD12 ILE 31 2HD1 ILE 31 11.525 -16.738 7.379 241 HD13 ILE 31 3HD1 ILE 31 12.192 -15.143 7.003 242 H MET 32 H MET 32 13.851 -11.677 8.372 243 HA MET 32 HA MET 32 12.648 -9.386 9.872 244 HB2 MET 32 1HB MET 32 14.854 -8.253 9.735 245 HB3 MET 32 2HB MET 32 14.855 -9.672 10.763 246 HG2 MET 32 1HG MET 32 15.665 -10.779 8.416 247 HG3 MET 32 2HG MET 32 16.341 -9.156 8.287 248 HE1 MET 32 1HE MET 32 17.243 -12.355 11.541 249 HE2 MET 32 2HE MET 32 15.602 -11.699 11.363 250 HE3 MET 32 3HE MET 32 16.340 -12.634 10.038 251 H THR 33 H THR 33 12.679 -7.404 8.725 252 HA THR 33 HA THR 33 12.227 -7.853 5.815 253 HB THR 33 HB THR 33 11.698 -5.426 7.589 254 HG1 THR 33 HG1 THR 33 10.279 -7.043 8.103 255 HG21 THR 33 1HG2 THR 33 10.258 -4.712 5.675 256 HG22 THR 33 2HG2 THR 33 10.973 -6.022 4.704 257 HG23 THR 33 3HG2 THR 33 11.998 -4.694 5.319 258 H VAL 34 H VAL 34 13.971 -7.574 4.508 259 HA VAL 34 HA VAL 34 16.238 -5.938 5.391 260 HB VAL 34 HB VAL 34 15.751 -7.212 2.698 261 HG11 VAL 34 1HG1 VAL 34 17.478 -5.505 2.581 262 HG12 VAL 34 2HG1 VAL 34 18.281 -6.175 4.021 263 HG13 VAL 34 3HG1 VAL 34 18.233 -7.107 2.502 264 HG21 VAL 34 1HG2 VAL 34 15.680 -8.964 4.294 265 HG22 VAL 34 2HG2 VAL 34 17.306 -8.984 3.600 266 HG23 VAL 34 3HG2 VAL 34 17.048 -8.287 5.207 267 H LEU 35 H LEU 35 16.421 -3.860 5.085 268 HA LEU 35 HA LEU 35 14.483 -2.509 3.300 269 HB2 LEU 35 1HB LEU 35 16.443 -1.453 5.360 270 HB3 LEU 35 2HB LEU 35 15.251 -0.487 4.496 271 HG LEU 35 HG LEU 35 14.567 -2.786 6.362 272 HD11 LEU 35 1HD1 LEU 35 15.637 -1.064 7.589 273 HD12 LEU 35 2HD1 LEU 35 13.894 -0.955 7.888 274 HD13 LEU 35 3HD1 LEU 35 14.675 0.198 6.780 275 HD21 LEU 35 1HD2 LEU 35 12.302 -1.785 6.333 276 HD22 LEU 35 2HD2 LEU 35 12.795 -2.372 4.737 277 HD23 LEU 35 3HD2 LEU 35 12.842 -0.629 5.092 278 H GLU 36 H GLU 36 18.024 -2.744 3.941 279 HA GLU 36 HA GLU 36 18.416 -2.459 1.046 280 HB2 GLU 36 1HB GLU 36 19.769 -0.572 0.983 281 HB3 GLU 36 2HB GLU 36 18.387 -0.090 1.955 282 HG2 GLU 36 1HG GLU 36 19.700 -0.415 3.950 283 HG3 GLU 36 2HG GLU 36 21.097 -0.774 2.935 284 H ARG 37 H ARG 37 20.940 -2.551 0.625 285 HA ARG 37 HA ARG 37 22.175 -4.388 2.636 286 HB2 ARG 37 1HB ARG 37 22.319 -4.599 -0.390 287 HB3 ARG 37 2HB ARG 37 23.132 -5.653 0.768 288 HG2 ARG 37 1HG ARG 37 20.845 -6.358 1.599 289 HG3 ARG 37 2HG ARG 37 20.151 -5.448 0.243 290 HD2 ARG 37 1HD ARG 37 22.091 -7.761 0.062 291 HD3 ARG 37 2HD ARG 37 20.375 -7.784 -0.388 292 HE ARG 37 HE ARG 37 21.597 -5.712 -1.855 293 HH11 ARG 37 1HH1 ARG 37 21.906 -9.222 -1.691 294 HH12 ARG 37 2HH1 ARG 37 22.465 -9.341 -3.341 295 HH21 ARG 37 1HH2 ARG 37 22.315 -5.934 -3.938 296 HH22 ARG 37 2HH2 ARG 37 22.686 -7.507 -4.588 297 H ASP 38 H ASP 38 24.459 -4.164 2.709 298 HA ASP 38 HA ASP 38 26.395 -3.026 2.707 299 HB2 ASP 38 1HB ASP 38 25.633 -2.143 -0.080 300 HB3 ASP 38 2HB ASP 38 27.264 -2.248 0.599 301 H THR 39 H THR 39 24.205 -1.977 3.888 302 HA THR 39 HA THR 39 23.579 0.738 3.283 303 HB THR 39 HB THR 39 22.093 -0.671 4.622 304 HG1 THR 39 HG1 THR 39 21.785 1.429 5.115 305 HG21 THR 39 1HG2 THR 39 23.695 -2.044 5.758 306 HG22 THR 39 2HG2 THR 39 22.572 -1.272 6.883 307 HG23 THR 39 3HG2 THR 39 24.225 -0.640 6.722 308 H GLN 40 H GLN 40 24.250 2.639 4.156 309 HA GLN 40 HA GLN 40 25.736 4.179 4.902 310 HB2 GLN 40 1HB GLN 40 26.680 2.255 7.008 311 HB3 GLN 40 2HB GLN 40 26.596 4.012 7.075 312 HG2 GLN 40 1HG GLN 40 24.062 3.731 6.919 313 HG3 GLN 40 2HG GLN 40 24.334 2.010 7.207 314 HE21 GLN 40 1HE2 GLN 40 24.452 2.398 10.643 315 HE22 GLN 40 2HE2 GLN 40 24.120 1.401 9.243 316 H GLY 41 H GLY 41 26.681 1.716 3.163 317 HA2 GLY 41 1HA GLY 41 28.638 1.521 1.893 318 HA3 GLY 41 2HA GLY 41 29.465 2.654 2.981 319 H LEU 42 H LEU 42 27.741 0.283 4.721 320 HA LEU 42 HA LEU 42 30.262 -1.031 5.491 321 HB2 LEU 42 1HB LEU 42 27.403 -1.428 6.438 322 HB3 LEU 42 2HB LEU 42 28.845 -2.053 7.223 323 HG LEU 42 HG LEU 42 28.258 0.901 6.936 324 HD11 LEU 42 1HD1 LEU 42 27.570 -0.999 9.212 325 HD12 LEU 42 2HD1 LEU 42 26.423 -0.157 8.132 326 HD13 LEU 42 3HD1 LEU 42 27.427 0.777 9.259 327 HD21 LEU 42 1HD2 LEU 42 30.572 0.323 7.418 328 HD22 LEU 42 2HD2 LEU 42 30.049 -0.701 8.771 329 HD23 LEU 42 3HD2 LEU 42 29.805 1.057 8.843 330 H ASP 43 H ASP 43 30.836 -2.355 3.840 331 HA ASP 43 HA ASP 43 28.879 -3.721 2.270 332 HB2 ASP 43 1HB ASP 43 30.666 -4.737 1.159 333 HB3 ASP 43 2HB ASP 43 31.220 -3.107 1.599 334 H GLY 44 H GLY 44 28.097 -5.747 2.272 335 HA2 GLY 44 1HA GLY 44 27.718 -7.896 3.099 336 HA3 GLY 44 2HA GLY 44 29.041 -7.691 4.261 337 H TRP 45 H TRP 45 27.550 -4.978 5.050 338 HA TRP 45 HA TRP 45 25.814 -6.305 7.036 339 HB2 TRP 45 1HB TRP 45 26.909 -3.530 6.597 340 HB3 TRP 45 2HB TRP 45 25.691 -3.839 7.804 341 HD1 TRP 45 HD1 TRP 45 29.391 -3.987 7.287 342 HE1 TRP 45 HE1 TRP 45 30.597 -4.952 9.305 343 HE3 TRP 45 HE3 TRP 45 25.294 -5.853 9.665 344 HZ2 TRP 45 HZ2 TRP 45 29.844 -6.425 11.664 345 HZ3 TRP 45 HZ3 TRP 45 25.585 -7.022 11.840 346 HH2 TRP 45 HH2 TRP 45 27.832 -7.321 12.816 347 H TRP 46 H TRP 46 23.640 -6.344 6.854 348 HA TRP 46 HA TRP 46 22.441 -4.710 4.641 349 HB2 TRP 46 1HB TRP 46 21.579 -7.387 5.803 350 HB3 TRP 46 2HB TRP 46 20.695 -6.481 4.565 351 HD1 TRP 46 HD1 TRP 46 24.122 -5.986 3.516 352 HE1 TRP 46 HE1 TRP 46 24.956 -7.646 1.799 353 HE3 TRP 46 HE3 TRP 46 20.453 -9.502 4.122 354 HZ2 TRP 46 HZ2 TRP 46 24.161 -10.218 0.826 355 HZ3 TRP 46 HZ3 TRP 46 20.583 -11.604 2.783 356 HH2 TRP 46 HH2 TRP 46 22.396 -11.933 1.129 357 H LEU 47 H LEU 47 20.911 -3.260 5.174 358 HA LEU 47 HA LEU 47 20.247 -2.859 7.995 359 HB2 LEU 47 1HB LEU 47 20.515 -0.967 6.404 360 HB3 LEU 47 2HB LEU 47 19.181 -1.598 5.452 361 HG LEU 47 HG LEU 47 17.642 -1.157 7.296 362 HD11 LEU 47 1HD1 LEU 47 19.037 -1.380 9.227 363 HD12 LEU 47 2HD1 LEU 47 18.406 0.270 9.192 364 HD13 LEU 47 3HD1 LEU 47 20.082 -0.044 8.692 365 HD21 LEU 47 1HD2 LEU 47 19.347 1.237 6.517 366 HD22 LEU 47 2HD2 LEU 47 17.676 1.305 7.133 367 HD23 LEU 47 3HD2 LEU 47 18.016 0.548 5.563 368 H CYS 48 H CYS 48 18.669 -3.946 8.998 369 HA CYS 48 HA CYS 48 16.296 -4.697 7.363 370 HB2 CYS 48 1HB CYS 48 17.513 -6.531 9.454 371 HB3 CYS 48 2HB CYS 48 16.225 -6.892 8.312 372 HG CYS 48 HG CYS 48 19.406 -6.239 7.677 373 H SER 49 H SER 49 14.485 -5.397 8.762 374 HA SER 49 HA SER 49 14.471 -3.869 11.329 375 HB2 SER 49 1HB SER 49 12.726 -2.638 10.660 376 HB3 SER 49 2HB SER 49 13.160 -3.107 9.024 377 HG SER 49 HG SER 49 10.991 -3.561 9.371 378 H LEU 50 H LEU 50 13.830 -4.994 13.011 379 HA LEU 50 HA LEU 50 12.236 -7.482 12.689 380 HB2 LEU 50 1HB LEU 50 14.642 -8.120 12.470 381 HB3 LEU 50 2HB LEU 50 14.975 -7.308 13.992 382 HG LEU 50 HG LEU 50 12.976 -9.112 14.667 383 HD11 LEU 50 1HD1 LEU 50 14.960 -10.520 12.914 384 HD12 LEU 50 2HD1 LEU 50 13.281 -10.159 12.440 385 HD13 LEU 50 3HD1 LEU 50 13.610 -11.235 13.824 386 HD21 LEU 50 1HD2 LEU 50 15.993 -9.307 14.856 387 HD22 LEU 50 2HD2 LEU 50 14.844 -10.285 15.800 388 HD23 LEU 50 3HD2 LEU 50 14.892 -8.524 16.014 389 H HIS 51 H HIS 51 10.902 -7.687 14.446 390 HA HIS 51 HA HIS 51 9.796 -7.146 16.382 391 HB2 HIS 51 1HB HIS 51 12.586 -6.588 17.451 392 HB3 HIS 51 2HB HIS 51 11.134 -6.863 18.418 393 HD1 HIS 51 HD1 HIS 51 13.660 -8.706 18.694 394 HD2 HIS 51 HD2 HIS 51 10.351 -9.523 16.293 395 HE1 HIS 51 HE1 HIS 51 13.593 -11.214 18.347 396 H GLY 52 H GLY 52 10.288 -4.947 14.420 397 HA2 GLY 52 1HA GLY 52 9.595 -2.730 14.367 398 HA3 GLY 52 2HA GLY 52 9.362 -2.786 16.119 399 H ARG 53 H ARG 53 12.494 -3.830 15.214 400 HA ARG 53 HA ARG 53 13.607 -1.125 15.859 401 HB2 ARG 53 1HB ARG 53 13.792 -3.361 17.404 402 HB3 ARG 53 2HB ARG 53 15.149 -3.664 16.327 403 HG2 ARG 53 1HG ARG 53 14.847 -1.049 17.846 404 HG3 ARG 53 2HG ARG 53 15.592 -2.482 18.567 405 HD2 ARG 53 1HD ARG 53 17.153 -2.501 16.510 406 HD3 ARG 53 2HD ARG 53 16.568 -0.848 16.216 407 HE ARG 53 HE ARG 53 17.369 -1.078 18.933 408 HH11 ARG 53 1HH1 ARG 53 18.896 -0.965 15.730 409 HH12 ARG 53 2HH1 ARG 53 20.399 -0.372 16.405 410 HH21 ARG 53 1HH2 ARG 53 19.307 -0.310 19.661 411 HH22 ARG 53 2HH2 ARG 53 20.629 -0.025 18.549 412 H GLN 54 H GLN 54 15.200 -0.436 14.454 413 HA GLN 54 HA GLN 54 15.665 -2.155 12.060 414 HB2 GLN 54 1HB GLN 54 15.162 0.677 12.503 415 HB3 GLN 54 2HB GLN 54 16.676 0.432 11.623 416 HG2 GLN 54 1HG GLN 54 15.526 -0.852 9.936 417 HG3 GLN 54 2HG GLN 54 14.019 -0.777 10.855 418 HE21 GLN 54 1HE2 GLN 54 15.320 2.754 9.183 419 HE22 GLN 54 2HE2 GLN 54 16.474 1.670 9.917 420 H GLY 55 H GLY 55 17.801 -2.526 11.340 421 HA2 GLY 55 1HA GLY 55 20.068 -1.216 12.429 422 HA3 GLY 55 2HA GLY 55 19.778 -2.681 13.375 423 H ILE 56 H ILE 56 22.121 -2.566 12.145 424 HA ILE 56 HA ILE 56 21.940 -3.752 9.459 425 HB ILE 56 HB ILE 56 24.406 -3.725 9.465 426 HG12 ILE 56 1HG1 ILE 56 24.109 -2.794 12.369 427 HG13 ILE 56 2HG1 ILE 56 24.709 -4.365 11.864 428 HG21 ILE 56 1HG2 ILE 56 22.997 -1.607 9.080 429 HG22 ILE 56 2HG2 ILE 56 23.427 -1.112 10.733 430 HG23 ILE 56 3HG2 ILE 56 24.696 -1.345 9.507 431 HD11 ILE 56 1HD1 ILE 56 26.594 -3.072 12.444 432 HD12 ILE 56 2HD1 ILE 56 26.578 -3.122 10.668 433 HD13 ILE 56 3HD1 ILE 56 26.025 -1.665 11.528 434 H VAL 57 H VAL 57 22.806 -5.761 8.912 435 HA VAL 57 HA VAL 57 22.990 -7.789 11.094 436 HB VAL 57 HB VAL 57 21.298 -7.971 8.597 437 HG11 VAL 57 1HG1 VAL 57 21.850 -10.014 10.676 438 HG12 VAL 57 2HG1 VAL 57 20.522 -10.129 9.512 439 HG13 VAL 57 3HG1 VAL 57 22.198 -10.109 8.940 440 HG21 VAL 57 1HG2 VAL 57 20.522 -7.782 11.502 441 HG22 VAL 57 2HG2 VAL 57 20.147 -6.612 10.219 442 HG23 VAL 57 3HG2 VAL 57 19.377 -8.215 10.203 443 HA PRO 58 HA PRO 58 26.279 -8.921 8.279 444 HB2 PRO 58 1HB PRO 58 26.930 -11.401 9.235 445 HB3 PRO 58 2HB PRO 58 27.336 -9.893 10.112 446 HG2 PRO 58 1HG PRO 58 25.012 -11.753 10.547 447 HG3 PRO 58 2HG PRO 58 26.152 -11.078 11.747 448 HD2 PRO 58 1HD PRO 58 23.703 -9.993 11.276 449 HD3 PRO 58 2HD PRO 58 25.115 -8.989 11.708 450 H GLY 59 H GLY 59 25.658 -9.343 6.210 451 HA2 GLY 59 1HA GLY 59 23.478 -10.981 5.468 452 HA3 GLY 59 2HA GLY 59 24.784 -10.443 4.406 453 H ASN 60 H ASN 60 26.741 -11.877 6.277 454 HA ASN 60 HA ASN 60 26.880 -14.352 4.837 455 HB2 ASN 60 1HB ASN 60 28.644 -12.923 6.322 456 HB3 ASN 60 2HB ASN 60 28.204 -14.160 7.507 457 HD21 ASN 60 1HD2 ASN 60 29.436 -16.816 5.265 458 HD22 ASN 60 2HD2 ASN 60 27.951 -16.440 6.121 459 H ARG 61 H ARG 61 24.972 -13.415 7.578 460 HA ARG 61 HA ARG 61 24.468 -16.301 8.217 461 HB2 ARG 61 1HB ARG 61 24.044 -13.816 9.923 462 HB3 ARG 61 2HB ARG 61 23.635 -15.469 10.398 463 HG2 ARG 61 1HG ARG 61 26.027 -16.096 10.224 464 HG3 ARG 61 2HG ARG 61 26.426 -14.410 9.837 465 HD2 ARG 61 1HD ARG 61 25.453 -13.693 11.995 466 HD3 ARG 61 2HD ARG 61 25.088 -15.387 12.381 467 HE ARG 61 HE ARG 61 27.861 -15.161 11.739 468 HH11 ARG 61 1HH1 ARG 61 25.646 -14.287 14.355 469 HH12 ARG 61 2HH1 ARG 61 26.924 -14.299 15.541 470 HH21 ARG 61 1HH2 ARG 61 29.391 -15.198 13.291 471 HH22 ARG 61 2HH2 ARG 61 29.008 -14.806 14.954 472 H LEU 62 H LEU 62 23.282 -14.090 6.223 473 HA LEU 62 HA LEU 62 20.455 -14.648 6.991 474 HB2 LEU 62 1HB LEU 62 21.584 -12.235 7.207 475 HB3 LEU 62 2HB LEU 62 21.173 -12.172 5.497 476 HG LEU 62 HG LEU 62 18.823 -12.659 6.076 477 HD11 LEU 62 1HD1 LEU 62 19.690 -12.268 8.919 478 HD12 LEU 62 2HD1 LEU 62 19.071 -13.756 8.178 479 HD13 LEU 62 3HD1 LEU 62 18.018 -12.358 8.313 480 HD21 LEU 62 1HD2 LEU 62 20.145 -10.229 7.282 481 HD22 LEU 62 2HD2 LEU 62 18.388 -10.387 7.077 482 HD23 LEU 62 3HD2 LEU 62 19.447 -10.410 5.660 483 H LYS 63 H LYS 63 19.018 -15.147 5.486 484 HA LYS 63 HA LYS 63 20.047 -15.302 2.677 485 HB2 LYS 63 1HB LYS 63 19.828 -17.544 3.609 486 HB3 LYS 63 2HB LYS 63 18.176 -17.203 4.125 487 HG2 LYS 63 1HG LYS 63 17.443 -17.050 1.799 488 HG3 LYS 63 2HG LYS 63 19.116 -17.186 1.233 489 HD2 LYS 63 1HD LYS 63 18.073 -19.307 0.929 490 HD3 LYS 63 2HD LYS 63 19.220 -19.465 2.273 491 HE2 LYS 63 1HE LYS 63 17.351 -19.246 3.885 492 HE3 LYS 63 2HE LYS 63 16.206 -19.076 2.531 493 HZ1 LYS 63 1HZ LYS 63 17.936 -21.437 3.031 494 HZ2 LYS 63 2HZ LYS 63 16.862 -21.285 1.786 495 HZ3 LYS 63 3HZ LYS 63 16.319 -21.362 3.342 496 H ILE 64 H ILE 64 19.081 -14.030 1.360 497 HA ILE 64 HA ILE 64 16.587 -12.726 1.926 498 HB ILE 64 HB ILE 64 18.038 -13.144 -0.732 499 HG12 ILE 64 1HG1 ILE 64 19.520 -12.078 0.868 500 HG13 ILE 64 2HG1 ILE 64 19.022 -10.930 -0.352 501 HG21 ILE 64 1HG2 ILE 64 15.836 -11.266 0.136 502 HG22 ILE 64 2HG2 ILE 64 16.848 -10.951 -1.288 503 HG23 ILE 64 3HG2 ILE 64 15.830 -12.410 -1.218 504 HD11 ILE 64 1HD1 ILE 64 18.983 -9.738 1.705 505 HD12 ILE 64 2HD1 ILE 64 17.275 -10.060 1.362 506 HD13 ILE 64 3HD1 ILE 64 18.154 -11.050 2.563 507 H LEU 65 H LEU 65 14.569 -13.466 1.682 508 HA LEU 65 HA LEU 65 14.211 -16.090 0.360 509 HB2 LEU 65 1HB LEU 65 12.240 -14.335 1.873 510 HB3 LEU 65 2HB LEU 65 11.952 -15.987 1.323 511 HG LEU 65 HG LEU 65 14.006 -15.147 3.400 512 HD11 LEU 65 1HD1 LEU 65 11.354 -16.599 3.682 513 HD12 LEU 65 2HD1 LEU 65 11.693 -14.919 4.166 514 HD13 LEU 65 3HD1 LEU 65 12.516 -16.251 4.985 515 HD21 LEU 65 1HD2 LEU 65 13.231 -17.899 2.347 516 HD22 LEU 65 2HD2 LEU 65 14.163 -17.623 3.836 517 HD23 LEU 65 3HD2 LEU 65 14.833 -17.119 2.275 518 H VAL 66 H VAL 66 14.620 -15.455 -1.742 519 HA VAL 66 HA VAL 66 13.236 -13.286 -3.037 520 HB VAL 66 HB VAL 66 14.094 -14.344 -5.148 521 HG11 VAL 66 1HG1 VAL 66 16.477 -14.025 -4.680 522 HG12 VAL 66 2HG1 VAL 66 15.522 -12.803 -3.816 523 HG13 VAL 66 3HG1 VAL 66 16.195 -14.200 -2.935 524 HG21 VAL 66 1HG2 VAL 66 15.477 -16.353 -5.086 525 HG22 VAL 66 2HG2 VAL 66 15.291 -16.492 -3.322 526 HG23 VAL 66 3HG2 VAL 66 13.893 -16.738 -4.390 527 H GLY 67 H GLY 67 11.746 -13.585 -4.893 528 HA2 GLY 67 1HA GLY 67 9.482 -15.178 -4.126 529 HA3 GLY 67 2HA GLY 67 9.675 -14.279 -5.644 530 H MET 68 H MET 68 8.402 -16.604 -5.789 531 HA MET 68 HA MET 68 8.262 -18.507 -7.011 532 HB2 MET 68 1HB MET 68 9.857 -17.297 -8.565 533 HB3 MET 68 2HB MET 68 11.166 -18.210 -7.812 534 HG2 MET 68 1HG MET 68 9.114 -20.054 -8.573 535 HG3 MET 68 2HG MET 68 9.450 -18.986 -9.946 536 HE1 MET 68 1HE MET 68 11.732 -18.824 -11.241 537 HE2 MET 68 2HE MET 68 12.530 -18.231 -9.765 538 HE3 MET 68 3HE MET 68 13.248 -19.574 -10.686 539 H TYR 69 H TYR 69 11.241 -18.343 -5.038 540 HA TYR 69 HA TYR 69 11.265 -21.259 -4.787 541 HB2 TYR 69 1HB TYR 69 13.027 -19.056 -3.701 542 HB3 TYR 69 2HB TYR 69 13.254 -20.767 -3.302 543 HD1 TYR 69 HD1 TYR 69 13.555 -18.230 -5.987 544 HD2 TYR 69 HD2 TYR 69 13.933 -22.405 -5.020 545 HE1 TYR 69 HE1 TYR 69 14.824 -18.612 -8.103 546 HE2 TYR 69 HE2 TYR 69 15.185 -22.780 -7.153 547 HH TYR 69 HH TYR 69 15.899 -20.143 -9.432 548 H ASP 70 H ASP 70 9.017 -21.152 -3.840 549 HA ASP 70 HA ASP 70 9.046 -20.778 -0.870 550 HB2 ASP 70 1HB ASP 70 7.095 -19.962 -2.144 551 HB3 ASP 70 2HB ASP 70 6.842 -21.571 -2.824 552 H LYS 71 H LYS 71 7.662 -23.317 -2.976 553 HA LYS 71 HA LYS 71 7.646 -25.600 -2.851 554 HB2 LYS 71 1HB LYS 71 10.055 -25.029 -3.460 555 HB3 LYS 71 2HB LYS 71 10.457 -25.405 -1.785 556 HG2 LYS 71 1HG LYS 71 9.419 -27.710 -2.159 557 HG3 LYS 71 2HG LYS 71 9.251 -27.273 -3.865 558 HD2 LYS 71 1HD LYS 71 11.261 -28.522 -3.710 559 HD3 LYS 71 2HD LYS 71 11.770 -26.827 -3.861 560 HE2 LYS 71 1HE LYS 71 12.079 -26.709 -1.396 561 HE3 LYS 71 2HE LYS 71 11.541 -28.395 -1.249 562 HZ1 LYS 71 1HZ LYS 71 13.451 -29.057 -2.587 563 HZ2 LYS 71 2HZ LYS 71 13.942 -28.220 -1.254 564 HZ3 LYS 71 3HZ LYS 71 13.946 -27.484 -2.726 565 H LYS 72 H LYS 72 6.116 -25.064 -0.968 566 HA LYS 72 HA LYS 72 6.832 -25.593 1.720 567 HB2 LYS 72 1HB LYS 72 4.200 -26.186 0.301 568 HB3 LYS 72 2HB LYS 72 4.429 -26.073 2.051 569 HG2 LYS 72 1HG LYS 72 5.212 -23.705 1.704 570 HG3 LYS 72 2HG LYS 72 4.710 -23.859 0.011 571 HD2 LYS 72 1HD LYS 72 2.394 -24.471 0.857 572 HD3 LYS 72 2HD LYS 72 2.955 -24.023 2.483 573 HE2 LYS 72 1HE LYS 72 2.742 -22.251 0.017 574 HE3 LYS 72 2HE LYS 72 1.829 -22.103 1.538 575 HZ1 LYS 72 1HZ LYS 72 3.585 -20.494 1.492 576 HZ2 LYS 72 2HZ LYS 72 4.732 -21.611 1.120 577 HZ3 LYS 72 3HZ LYS 72 4.019 -21.621 2.617 578 HA PRO 73 HA PRO 73 7.596 -29.938 1.529 579 HB2 PRO 73 1HB PRO 73 7.474 -30.652 4.138 580 HB3 PRO 73 2HB PRO 73 8.712 -29.496 3.548 581 HG2 PRO 73 1HG PRO 73 6.047 -28.920 4.825 582 HG3 PRO 73 2HG PRO 73 7.667 -28.323 5.301 583 HD2 PRO 73 1HD PRO 73 5.995 -26.867 3.735 584 HD3 PRO 73 2HD PRO 73 7.775 -26.839 3.492 585 H ALA 74 H ALA 74 6.768 -32.110 2.358 586 HA ALA 74 HA ALA 74 3.911 -32.251 3.031 587 HB1 ALA 74 1HB ALA 74 5.099 -33.633 0.563 588 HB2 ALA 74 2HB ALA 74 3.450 -33.862 1.192 589 HB3 ALA 74 3HB ALA 74 3.935 -32.287 0.515 590 H GLY 75 H GLY 75 3.522 -34.709 3.556 591 HA2 GLY 75 1HA GLY 75 4.335 -36.747 4.397 592 HA3 GLY 75 2HA GLY 75 5.995 -36.177 4.169 593 H SER 76 H SER 76 3.444 -34.433 5.860 594 HA SER 76 HA SER 76 3.228 -33.658 7.984 595 HB2 SER 76 1HB SER 76 4.752 -36.144 8.842 596 HB3 SER 76 2HB SER 76 3.644 -35.163 9.825 597 HG SER 76 HG SER 76 2.730 -37.115 8.876 598 H GLY 77 H GLY 77 4.953 -33.825 10.267 599 HA2 GLY 77 1HA GLY 77 7.620 -33.186 9.911 600 HA3 GLY 77 2HA GLY 77 6.740 -31.676 9.565 601 H GLY 78 H GLY 78 8.199 -31.272 11.683 602 HA2 GLY 78 1HA GLY 78 6.361 -30.842 13.798 603 HA3 GLY 78 2HA GLY 78 7.326 -32.288 14.177 604 H SER 79 H SER 79 7.826 -30.437 15.942 605 HA SER 79 HA SER 79 10.185 -28.880 14.979 606 HB2 SER 79 1HB SER 79 8.511 -28.590 17.506 607 HB3 SER 79 2HB SER 79 9.894 -27.568 17.057 608 HG SER 79 HG SER 79 7.842 -26.659 16.479 609 H GLY 80 H GLY 80 12.149 -29.673 15.523 610 HA2 GLY 80 1HA GLY 80 12.562 -31.020 18.088 611 HA3 GLY 80 2HA GLY 80 12.646 -32.090 16.674 612 H SER 81 H SER 81 13.736 -28.730 17.330 613 HA SER 81 HA SER 81 16.003 -28.949 15.652 614 HB2 SER 81 1HB SER 81 15.672 -27.029 17.979 615 HB3 SER 81 2HB SER 81 16.574 -26.774 16.469 616 HG SER 81 HG SER 81 14.609 -25.767 16.241 617 H GLY 82 H GLY 82 15.641 -29.914 19.002 618 HA2 GLY 82 1HA GLY 82 17.210 -31.154 20.229 619 HA3 GLY 82 2HA GLY 82 18.423 -30.819 18.983 620 H LEU 83 H LEU 83 19.961 -30.331 20.573 621 HA LEU 83 HA LEU 83 19.526 -28.064 22.404 622 HB2 LEU 83 1HB LEU 83 21.736 -30.041 21.840 623 HB3 LEU 83 2HB LEU 83 22.141 -28.521 22.619 624 HG LEU 83 HG LEU 83 20.557 -29.035 24.456 625 HD11 LEU 83 1HD1 LEU 83 19.017 -30.598 23.383 626 HD12 LEU 83 2HD1 LEU 83 19.801 -31.385 24.763 627 HD13 LEU 83 3HD1 LEU 83 20.336 -31.762 23.110 628 HD21 LEU 83 1HD2 LEU 83 22.700 -31.126 23.916 629 HD22 LEU 83 2HD2 LEU 83 22.016 -30.723 25.509 630 HD23 LEU 83 3HD2 LEU 83 22.966 -29.513 24.619 631 H THR 84 H THR 84 21.332 -26.308 22.333 632 HA THR 84 HA THR 84 21.318 -25.033 19.748 633 HB THR 84 HB THR 84 23.063 -23.533 20.889 634 HG1 THR 84 HG1 THR 84 23.723 -25.276 22.335 635 HG21 THR 84 1HG2 THR 84 20.466 -24.029 22.405 636 HG22 THR 84 2HG2 THR 84 20.660 -22.980 20.981 637 HG23 THR 84 3HG2 THR 84 21.472 -22.570 22.506 638 H ASP 85 H ASP 85 22.704 -25.270 18.073 639 HA ASP 85 HA ASP 85 25.393 -26.371 18.515 640 HB2 ASP 85 1HB ASP 85 25.117 -28.249 17.105 641 HB3 ASP 85 2HB ASP 85 23.722 -28.301 18.193 642 H GLU 86 H GLU 86 26.143 -26.779 15.986 643 HA GLU 86 HA GLU 86 26.966 -25.774 14.148 644 HB2 GLU 86 1HB GLU 86 24.555 -26.056 13.501 645 HB3 GLU 86 2HB GLU 86 24.324 -24.335 13.862 646 HG2 GLU 86 1HG GLU 86 26.102 -23.782 12.218 647 HG3 GLU 86 2HG GLU 86 26.294 -25.502 11.857 648 H LEU 87 H LEU 87 28.658 -24.570 14.814 649 HA LEU 87 HA LEU 87 28.368 -21.912 15.890 650 HB2 LEU 87 1HB LEU 87 30.728 -23.272 14.540 651 HB3 LEU 87 2HB LEU 87 30.805 -21.708 15.342 652 HG LEU 87 HG LEU 87 30.134 -24.337 16.711 653 HD11 LEU 87 1HD1 LEU 87 32.383 -24.141 17.686 654 HD12 LEU 87 2HD1 LEU 87 32.686 -22.669 16.731 655 HD13 LEU 87 3HD1 LEU 87 32.464 -24.238 15.917 656 HD21 LEU 87 1HD2 LEU 87 30.633 -21.547 17.835 657 HD22 LEU 87 2HD2 LEU 87 30.522 -23.030 18.812 658 HD23 LEU 87 3HD2 LEU 87 29.109 -22.466 17.904 659 H ALA 88 H ALA 88 28.078 -20.053 14.907 660 HA ALA 88 HA ALA 88 27.386 -20.057 12.126 661 HB1 ALA 88 1HB ALA 88 27.673 -17.719 14.045 662 HB2 ALA 88 2HB ALA 88 26.724 -17.763 12.542 663 HB3 ALA 88 3HB ALA 88 26.235 -18.760 13.926 664 HA PRO 89 HA PRO 89 31.204 -18.561 10.403 665 HB2 PRO 89 1HB PRO 89 30.337 -17.042 8.297 666 HB3 PRO 89 2HB PRO 89 30.220 -18.829 8.308 667 HG2 PRO 89 1HG PRO 89 28.131 -16.784 9.033 668 HG3 PRO 89 2HG PRO 89 28.004 -18.161 7.892 669 HD2 PRO 89 1HD PRO 89 27.102 -18.353 10.409 670 HD3 PRO 89 2HD PRO 89 27.932 -19.736 9.618 671 HA PRO 90 HA PRO 90 31.850 -14.660 12.225 672 HB2 PRO 90 1HB PRO 90 33.739 -13.397 10.707 673 HB3 PRO 90 2HB PRO 90 34.105 -14.858 11.679 674 HG2 PRO 90 1HG PRO 90 33.420 -14.661 8.760 675 HG3 PRO 90 2HG PRO 90 34.801 -15.496 9.545 676 HD2 PRO 90 1HD PRO 90 32.579 -16.836 8.822 677 HD3 PRO 90 2HD PRO 90 33.434 -17.237 10.347 678 H LYS 91 H LYS 91 31.545 -12.353 12.118 679 HA LYS 91 HA LYS 91 29.687 -11.514 9.951 680 HB2 LYS 91 1HB LYS 91 29.268 -9.558 11.461 681 HB3 LYS 91 2HB LYS 91 28.839 -11.106 12.190 682 HG2 LYS 91 1HG LYS 91 30.894 -11.087 13.539 683 HG3 LYS 91 2HG LYS 91 31.425 -9.597 12.748 684 HD2 LYS 91 1HD LYS 91 30.535 -9.037 14.923 685 HD3 LYS 91 2HD LYS 91 29.429 -8.414 13.692 686 HE2 LYS 91 1HE LYS 91 27.887 -10.292 14.082 687 HE3 LYS 91 2HE LYS 91 29.039 -11.023 15.226 688 HZ1 LYS 91 1HZ LYS 91 28.756 -9.141 16.670 689 HZ2 LYS 91 2HZ LYS 91 27.270 -9.769 16.338 690 HZ3 LYS 91 3HZ LYS 91 27.739 -8.380 15.595 691 HA PRO 92 HA PRO 92 33.087 -9.249 8.245 692 HB2 PRO 92 1HB PRO 92 31.861 -7.094 7.047 693 HB3 PRO 92 2HB PRO 92 31.758 -8.759 6.389 694 HG2 PRO 92 1HG PRO 92 29.807 -7.278 8.071 695 HG3 PRO 92 2HG PRO 92 29.531 -8.231 6.591 696 HD2 PRO 92 1HD PRO 92 29.075 -9.204 9.084 697 HD3 PRO 92 2HD PRO 92 29.660 -10.245 7.741 698 HA PRO 93 HA PRO 93 34.085 -6.312 11.324 699 HB2 PRO 93 1HB PRO 93 35.897 -4.624 10.206 700 HB3 PRO 93 2HB PRO 93 36.240 -6.371 10.417 701 HG2 PRO 93 1HG PRO 93 35.209 -4.934 7.984 702 HG3 PRO 93 2HG PRO 93 36.624 -6.031 8.129 703 HD2 PRO 93 1HD PRO 93 34.227 -6.913 7.269 704 HD3 PRO 93 2HD PRO 93 35.270 -7.935 8.316 705 H LEU 94 H LEU 94 34.281 -3.908 11.893 706 HA LEU 94 HA LEU 94 32.397 -2.232 10.332 707 HB2 LEU 94 1HB LEU 94 32.315 -2.972 13.260 708 HB3 LEU 94 2HB LEU 94 31.710 -1.409 12.737 709 HG LEU 94 HG LEU 94 30.650 -4.103 11.831 710 HD11 LEU 94 1HD1 LEU 94 30.158 -3.425 14.168 711 HD12 LEU 94 2HD1 LEU 94 28.720 -3.511 13.136 712 HD13 LEU 94 3HD1 LEU 94 29.426 -1.928 13.537 713 HD21 LEU 94 1HD2 LEU 94 30.370 -2.450 10.049 714 HD22 LEU 94 2HD2 LEU 94 29.683 -1.278 11.204 715 HD23 LEU 94 3HD2 LEU 94 28.819 -2.784 10.815 716 HA PRO 95 HA PRO 95 35.456 0.893 11.185 717 HB2 PRO 95 1HB PRO 95 34.003 3.176 10.992 718 HB3 PRO 95 2HB PRO 95 34.242 2.119 9.565 719 HG2 PRO 95 1HG PRO 95 31.916 2.245 11.457 720 HG3 PRO 95 2HG PRO 95 31.921 2.317 9.667 721 HD2 PRO 95 1HD PRO 95 31.456 0.014 11.050 722 HD3 PRO 95 2HD PRO 95 32.289 0.013 9.468 723 H GLU 96 H GLU 96 35.530 3.039 12.644 724 HA GLU 96 HA GLU 96 35.674 3.937 14.642 725 HB2 GLU 96 1HB GLU 96 33.099 3.748 14.336 726 HB3 GLU 96 2HB GLU 96 33.229 2.562 15.626 727 HG2 GLU 96 1HG GLU 96 34.345 4.286 17.026 728 HG3 GLU 96 2HG GLU 96 34.093 5.457 15.731 729 H GLY 97 H GLY 97 35.837 0.774 14.252 730 HA2 GLY 97 1HA GLY 97 37.011 0.231 16.938 731 HA3 GLY 97 2HA GLY 97 36.659 -0.981 15.682 732 H GLU 98 H GLU 98 37.975 1.941 14.525 733 HA GLU 98 HA GLU 98 40.750 0.889 14.522 734 HB2 GLU 98 1HB GLU 98 39.414 0.292 12.372 735 HB3 GLU 98 2HB GLU 98 39.442 2.027 12.037 736 HG2 GLU 98 1HG GLU 98 42.004 1.852 12.299 737 HG3 GLU 98 2HG GLU 98 41.777 0.102 12.230 738 H VAL 99 H VAL 99 42.279 2.549 14.402 739 HA VAL 99 HA VAL 99 43.222 4.551 14.796 740 HB VAL 99 HB VAL 99 40.835 5.839 13.399 741 HG11 VAL 99 1HG1 VAL 99 42.289 7.478 14.586 742 HG12 VAL 99 2HG1 VAL 99 43.731 6.813 13.791 743 HG13 VAL 99 3HG1 VAL 99 42.481 7.637 12.839 744 HG21 VAL 99 1HG2 VAL 99 41.724 4.134 11.872 745 HG22 VAL 99 2HG2 VAL 99 42.299 5.694 11.311 746 HG23 VAL 99 3HG2 VAL 99 43.395 4.626 12.199 747 HXT VAL 99 H02 VAL 99 39.971 4.929 15.411 Start of MODEL 29 1 H2 GLY 1 2H0 GLY 1 7.062 2.918 4.700 2 H GLY 1 1H0 GLY 1 8.471 3.727 4.799 3 HA2 GLY 1 1HA GLY 1 9.490 2.502 3.038 4 HA3 GLY 1 2HA GLY 1 8.712 1.335 4.134 5 H SER 2 H SER 2 6.301 2.914 2.696 6 HA SER 2 HA SER 2 5.544 0.673 1.043 7 HB2 SER 2 1HB SER 2 3.931 2.223 2.151 8 HB3 SER 2 2HB SER 2 4.417 3.497 1.013 9 HG SER 2 HG SER 2 3.862 1.722 -0.622 10 H MET 3 H MET 3 7.495 3.447 0.428 11 HA MET 3 HA MET 3 7.784 2.623 -2.391 12 HB2 MET 3 1HB MET 3 7.463 4.890 -3.241 13 HB3 MET 3 2HB MET 3 5.998 4.291 -2.461 14 HG2 MET 3 1HG MET 3 6.551 5.599 -0.425 15 HG3 MET 3 2HG MET 3 7.978 6.250 -1.250 16 HE1 MET 3 1HE MET 3 6.963 6.850 -4.273 17 HE2 MET 3 2HE MET 3 6.452 8.536 -4.038 18 HE3 MET 3 3HE MET 3 7.932 7.938 -3.251 19 H LYS 4 H LYS 4 9.397 2.490 0.064 20 HA LYS 4 HA LYS 4 11.842 3.818 -0.978 21 HB2 LYS 4 1HB LYS 4 10.781 4.094 1.877 22 HB3 LYS 4 2HB LYS 4 12.456 4.412 1.427 23 HG2 LYS 4 1HG LYS 4 10.064 5.940 0.336 24 HG3 LYS 4 2HG LYS 4 11.088 6.465 1.681 25 HD2 LYS 4 1HD LYS 4 13.076 6.406 0.145 26 HD3 LYS 4 2HD LYS 4 11.985 5.999 -1.195 27 HE2 LYS 4 1HE LYS 4 12.401 8.358 -1.281 28 HE3 LYS 4 2HE LYS 4 10.724 8.113 -0.759 29 HZ1 LYS 4 1HZ LYS 4 11.460 8.488 1.527 30 HZ2 LYS 4 2HZ LYS 4 11.837 9.787 0.584 31 HZ3 LYS 4 3HZ LYS 4 13.014 8.722 1.030 32 H TYR 5 H TYR 5 13.700 2.641 -0.223 33 HA TYR 5 HA TYR 5 14.875 0.792 0.240 34 HB2 TYR 5 1HB TYR 5 12.770 0.621 2.393 35 HB3 TYR 5 2HB TYR 5 14.087 -0.513 2.259 36 HD1 TYR 5 HD1 TYR 5 16.494 0.877 1.734 37 HD2 TYR 5 HD2 TYR 5 13.141 2.214 4.084 38 HE1 TYR 5 HE1 TYR 5 17.990 2.391 3.015 39 HE2 TYR 5 HE2 TYR 5 14.668 3.723 5.371 40 HH TYR 5 HH TYR 5 18.192 3.838 4.727 41 H LEU 6 H LEU 6 14.919 -1.618 0.489 42 HA LEU 6 HA LEU 6 13.588 -2.712 -1.822 43 HB2 LEU 6 1HB LEU 6 15.123 -4.105 0.399 44 HB3 LEU 6 2HB LEU 6 14.728 -4.789 -1.165 45 HG LEU 6 HG LEU 6 16.630 -2.487 -0.736 46 HD11 LEU 6 1HD1 LEU 6 18.392 -4.153 -1.203 47 HD12 LEU 6 2HD1 LEU 6 17.160 -5.433 -1.310 48 HD13 LEU 6 3HD1 LEU 6 17.454 -4.603 0.235 49 HD21 LEU 6 1HD2 LEU 6 16.017 -4.135 -3.212 50 HD22 LEU 6 2HD2 LEU 6 17.317 -2.926 -3.059 51 HD23 LEU 6 3HD2 LEU 6 15.621 -2.418 -2.960 52 H ASN 7 H ASN 7 13.204 -3.174 1.681 53 HA ASN 7 HA ASN 7 11.687 -4.286 2.957 54 HB2 ASN 7 1HB ASN 7 9.962 -3.007 0.862 55 HB3 ASN 7 2HB ASN 7 9.248 -3.991 2.148 56 HD21 ASN 7 1HD2 ASN 7 10.514 -0.281 2.932 57 HD22 ASN 7 2HD2 ASN 7 10.562 -0.963 1.332 58 H VAL 8 H VAL 8 13.013 -6.177 1.861 59 HA VAL 8 HA VAL 8 11.028 -8.141 0.772 60 HB VAL 8 HB VAL 8 12.698 -9.100 -0.505 61 HG11 VAL 8 1HG1 VAL 8 12.778 -6.630 -1.020 62 HG12 VAL 8 2HG1 VAL 8 14.199 -6.519 0.064 63 HG13 VAL 8 3HG1 VAL 8 14.268 -7.514 -1.409 64 HG21 VAL 8 1HG2 VAL 8 14.064 -10.059 1.144 65 HG22 VAL 8 2HG2 VAL 8 15.170 -9.044 0.200 66 HG23 VAL 8 3HG2 VAL 8 14.573 -8.484 1.767 67 H LEU 9 H LEU 9 11.407 -10.425 1.743 68 HA LEU 9 HA LEU 9 12.039 -10.084 4.644 69 HB2 LEU 9 1HB LEU 9 10.578 -12.309 3.193 70 HB3 LEU 9 2HB LEU 9 10.869 -12.236 4.927 71 HG LEU 9 HG LEU 9 9.150 -10.295 3.340 72 HD11 LEU 9 1HD1 LEU 9 7.281 -11.367 4.516 73 HD12 LEU 9 2HD1 LEU 9 8.404 -12.491 5.314 74 HD13 LEU 9 3HD1 LEU 9 8.180 -12.551 3.547 75 HD21 LEU 9 1HD2 LEU 9 10.118 -9.137 5.251 76 HD22 LEU 9 2HD2 LEU 9 9.704 -10.487 6.331 77 HD23 LEU 9 3HD2 LEU 9 8.421 -9.499 5.599 78 H ALA 10 H ALA 10 13.545 -11.391 5.679 79 HA ALA 10 HA ALA 10 15.053 -13.322 3.965 80 HB1 ALA 10 1HB ALA 10 16.304 -11.178 5.719 81 HB2 ALA 10 2HB ALA 10 17.175 -12.438 4.808 82 HB3 ALA 10 3HB ALA 10 16.270 -11.186 3.942 83 H LYS 11 H LYS 11 15.906 -15.087 5.080 84 HA LYS 11 HA LYS 11 14.955 -15.365 7.904 85 HB2 LYS 11 1HB LYS 11 14.053 -17.033 6.400 86 HB3 LYS 11 2HB LYS 11 15.652 -17.440 5.788 87 HG2 LYS 11 1HG LYS 11 16.283 -18.485 7.829 88 HG3 LYS 11 2HG LYS 11 14.929 -17.774 8.719 89 HD2 LYS 11 1HD LYS 11 14.512 -19.751 6.460 90 HD3 LYS 11 2HD LYS 11 14.782 -20.256 8.142 91 HE2 LYS 11 1HE LYS 11 12.864 -18.724 8.802 92 HE3 LYS 11 2HE LYS 11 12.514 -18.551 7.074 93 HZ1 LYS 11 1HZ LYS 11 12.417 -21.055 8.659 94 HZ2 LYS 11 2HZ LYS 11 12.251 -21.008 7.019 95 HZ3 LYS 11 3HZ LYS 11 11.144 -20.257 7.989 96 H ALA 12 H ALA 12 16.342 -15.849 9.519 97 HA ALA 12 HA ALA 12 19.207 -15.557 9.076 98 HB1 ALA 12 1HB ALA 12 17.550 -16.355 11.489 99 HB2 ALA 12 2HB ALA 12 19.286 -15.988 11.518 100 HB3 ALA 12 3HB ALA 12 18.112 -14.723 11.093 101 H LEU 13 H LEU 13 20.686 -17.148 8.695 102 HA LEU 13 HA LEU 13 19.773 -19.988 8.826 103 HB2 LEU 13 1HB LEU 13 22.428 -18.773 8.011 104 HB3 LEU 13 2HB LEU 13 22.009 -20.468 7.911 105 HG LEU 13 HG LEU 13 21.847 -19.914 5.766 106 HD11 LEU 13 1HD1 LEU 13 19.582 -20.692 6.456 107 HD12 LEU 13 2HD1 LEU 13 19.574 -19.671 5.007 108 HD13 LEU 13 3HD1 LEU 13 19.069 -18.988 6.564 109 HD21 LEU 13 1HD2 LEU 13 20.713 -17.194 6.364 110 HD22 LEU 13 2HD2 LEU 13 21.379 -17.793 4.828 111 HD23 LEU 13 3HD2 LEU 13 22.452 -17.543 6.205 112 H TYR 14 H TYR 14 21.387 -17.620 10.651 113 HA TYR 14 HA TYR 14 22.165 -19.629 12.666 114 HB2 TYR 14 1HB TYR 14 24.035 -17.497 11.598 115 HB3 TYR 14 2HB TYR 14 24.361 -18.610 12.930 116 HD1 TYR 14 HD1 TYR 14 24.269 -18.197 9.291 117 HD2 TYR 14 HD2 TYR 14 24.669 -21.076 12.466 118 HE1 TYR 14 HE1 TYR 14 25.123 -19.878 7.666 119 HE2 TYR 14 HE2 TYR 14 25.565 -22.730 10.839 120 HH TYR 14 HH TYR 14 26.053 -23.190 8.633 121 H ASP 15 H ASP 15 22.373 -18.690 14.762 122 HA ASP 15 HA ASP 15 20.681 -16.460 15.307 123 HB2 ASP 15 1HB ASP 15 22.875 -17.771 16.963 124 HB3 ASP 15 2HB ASP 15 21.595 -16.715 17.590 125 H ASN 16 H ASN 16 21.286 -14.406 16.173 126 HA ASN 16 HA ASN 16 24.139 -13.646 15.781 127 HB2 ASN 16 1HB ASN 16 22.707 -12.968 13.752 128 HB3 ASN 16 2HB ASN 16 21.911 -11.828 14.848 129 HD21 ASN 16 1HD2 ASN 16 24.410 -9.451 14.372 130 HD22 ASN 16 2HD2 ASN 16 22.715 -9.828 14.651 131 H VAL 17 H VAL 17 24.897 -12.322 17.309 132 HA VAL 17 HA VAL 17 22.929 -11.151 19.226 133 HB VAL 17 HB VAL 17 25.804 -12.062 19.755 134 HG11 VAL 17 1HG1 VAL 17 25.306 -11.468 22.123 135 HG12 VAL 17 2HG1 VAL 17 25.226 -10.048 21.060 136 HG13 VAL 17 3HG1 VAL 17 23.723 -10.824 21.622 137 HG21 VAL 17 1HG2 VAL 17 23.140 -13.201 20.726 138 HG22 VAL 17 2HG2 VAL 17 24.276 -13.985 19.607 139 HG23 VAL 17 3HG2 VAL 17 24.745 -13.716 21.298 140 H ALA 18 H ALA 18 22.935 -9.014 19.169 141 HA ALA 18 HA ALA 18 24.579 -7.643 17.256 142 HB1 ALA 18 1HB ALA 18 22.713 -6.616 19.423 143 HB2 ALA 18 2HB ALA 18 23.322 -5.678 18.042 144 HB3 ALA 18 3HB ALA 18 22.229 -7.068 17.773 145 H GLU 19 H GLU 19 26.502 -6.739 17.543 146 HA GLU 19 HA GLU 19 27.538 -6.432 20.351 147 HB2 GLU 19 1HB GLU 19 28.968 -6.759 17.686 148 HB3 GLU 19 2HB GLU 19 29.777 -6.468 19.237 149 HG2 GLU 19 1HG GLU 19 28.851 -8.555 20.123 150 HG3 GLU 19 2HG GLU 19 28.001 -8.847 18.605 151 H SER 20 H SER 20 26.585 -4.878 17.452 152 HA SER 20 HA SER 20 27.748 -2.257 18.320 153 HB2 SER 20 1HB SER 20 28.217 -2.749 15.999 154 HB3 SER 20 2HB SER 20 26.552 -3.273 15.712 155 HG SER 20 HG SER 20 27.182 -1.061 15.022 156 HA PRO 21 HA PRO 21 23.673 -1.247 19.762 157 HB2 PRO 21 1HB PRO 21 23.694 1.480 19.570 158 HB3 PRO 21 2HB PRO 21 24.682 0.600 20.782 159 HG2 PRO 21 1HG PRO 21 25.508 1.626 18.067 160 HG3 PRO 21 2HG PRO 21 26.297 1.883 19.656 161 HD2 PRO 21 1HD PRO 21 27.171 0.007 17.995 162 HD3 PRO 21 2HD PRO 21 27.100 -0.286 19.767 163 H ASP 22 H ASP 22 24.768 -0.732 16.571 164 HA ASP 22 HA ASP 22 22.086 0.122 15.619 165 HB2 ASP 22 1HB ASP 22 24.873 0.180 14.443 166 HB3 ASP 22 2HB ASP 22 23.432 0.447 13.457 167 H GLU 23 H GLU 23 23.599 -2.678 16.342 168 HA GLU 23 HA GLU 23 22.852 -4.078 13.822 169 HB2 GLU 23 1HB GLU 23 25.131 -4.370 14.788 170 HB3 GLU 23 2HB GLU 23 24.406 -5.052 16.244 171 HG2 GLU 23 1HG GLU 23 23.478 -6.903 14.878 172 HG3 GLU 23 2HG GLU 23 24.247 -6.208 13.448 173 H LEU 24 H LEU 24 21.525 -5.981 13.899 174 HA LEU 24 HA LEU 24 19.589 -5.932 16.168 175 HB2 LEU 24 1HB LEU 24 19.462 -7.126 13.397 176 HB3 LEU 24 2HB LEU 24 18.251 -7.437 14.634 177 HG LEU 24 HG LEU 24 18.936 -4.687 13.556 178 HD11 LEU 24 1HD1 LEU 24 16.727 -4.903 12.405 179 HD12 LEU 24 2HD1 LEU 24 16.708 -6.617 12.872 180 HD13 LEU 24 3HD1 LEU 24 17.978 -5.999 11.793 181 HD21 LEU 24 1HD2 LEU 24 18.001 -4.575 15.810 182 HD22 LEU 24 2HD2 LEU 24 16.671 -5.663 15.342 183 HD23 LEU 24 3HD2 LEU 24 16.790 -4.035 14.638 184 H SER 25 H SER 25 19.033 -7.676 17.325 185 HA SER 25 HA SER 25 20.860 -10.024 17.208 186 HB2 SER 25 1HB SER 25 19.029 -9.042 19.445 187 HB3 SER 25 2HB SER 25 20.081 -10.467 19.509 188 HG SER 25 HG SER 25 20.806 -8.307 20.412 189 H PHE 26 H PHE 26 19.983 -11.883 16.596 190 HA PHE 26 HA PHE 26 17.105 -12.387 16.932 191 HB2 PHE 26 1HB PHE 26 16.753 -12.973 14.546 192 HB3 PHE 26 2HB PHE 26 16.988 -11.259 14.851 193 HD1 PHE 26 HD1 PHE 26 18.863 -14.320 13.730 194 HD2 PHE 26 HD2 PHE 26 18.538 -10.034 13.671 195 HE1 PHE 26 HE1 PHE 26 20.590 -14.212 11.935 196 HE2 PHE 26 HE2 PHE 26 20.224 -9.930 11.900 197 HZ PHE 26 HZ PHE 26 21.230 -12.023 10.961 198 H ARG 27 H ARG 27 16.419 -14.515 16.116 199 HA ARG 27 HA ARG 27 18.459 -16.511 16.934 200 HB2 ARG 27 1HB ARG 27 16.045 -16.267 17.879 201 HB3 ARG 27 2HB ARG 27 15.472 -16.798 16.304 202 HG2 ARG 27 1HG ARG 27 15.332 -18.741 17.516 203 HG3 ARG 27 2HG ARG 27 16.925 -18.952 16.792 204 HD2 ARG 27 1HD ARG 27 18.000 -18.214 18.870 205 HD3 ARG 27 2HD ARG 27 16.426 -17.804 19.561 206 HE ARG 27 HE ARG 27 15.952 -20.059 19.925 207 HH11 ARG 27 1HH1 ARG 27 19.062 -19.815 18.234 208 HH12 ARG 27 2HH1 ARG 27 19.475 -21.469 18.611 209 HH21 ARG 27 1HH2 ARG 27 16.564 -22.147 20.336 210 HH22 ARG 27 2HH2 ARG 27 18.092 -22.758 19.764 211 H LYS 28 H LYS 28 18.764 -18.423 15.759 212 HA LYS 28 HA LYS 28 18.851 -18.289 12.874 213 HB2 LYS 28 1HB LYS 28 20.223 -19.788 14.277 214 HB3 LYS 28 2HB LYS 28 18.783 -20.589 14.886 215 HG2 LYS 28 1HG LYS 28 18.399 -21.697 12.862 216 HG3 LYS 28 2HG LYS 28 19.505 -20.642 11.968 217 HD2 LYS 28 1HD LYS 28 21.419 -21.478 13.130 218 HD3 LYS 28 2HD LYS 28 20.428 -22.338 14.317 219 HE2 LYS 28 1HE LYS 28 19.719 -23.922 12.579 220 HE3 LYS 28 2HE LYS 28 20.676 -23.026 11.370 221 HZ1 LYS 28 1HZ LYS 28 22.668 -23.514 12.676 222 HZ2 LYS 28 2HZ LYS 28 21.920 -24.923 12.273 223 HZ3 LYS 28 3HZ LYS 28 21.802 -24.336 13.808 224 H GLY 29 H GLY 29 17.231 -18.551 11.433 225 HA2 GLY 29 1HA GLY 29 15.253 -19.562 10.629 226 HA3 GLY 29 2HA GLY 29 14.775 -19.961 12.281 227 H ASP 30 H ASP 30 15.682 -16.901 12.727 228 HA ASP 30 HA ASP 30 12.959 -15.951 12.809 229 HB2 ASP 30 1HB ASP 30 15.148 -15.313 14.174 230 HB3 ASP 30 2HB ASP 30 15.308 -14.076 12.923 231 H ILE 31 H ILE 31 12.210 -13.925 11.780 232 HA ILE 31 HA ILE 31 13.262 -13.673 8.972 233 HB ILE 31 HB ILE 31 10.358 -13.444 9.907 234 HG12 ILE 31 1HG1 ILE 31 11.025 -15.782 9.821 235 HG13 ILE 31 2HG1 ILE 31 9.950 -15.408 8.481 236 HG21 ILE 31 1HG2 ILE 31 9.925 -13.300 7.373 237 HG22 ILE 31 2HG2 ILE 31 10.684 -11.873 8.105 238 HG23 ILE 31 3HG2 ILE 31 11.677 -13.021 7.177 239 HD11 ILE 31 1HD1 ILE 31 12.883 -16.054 8.429 240 HD12 ILE 31 2HD1 ILE 31 11.550 -16.739 7.477 241 HD13 ILE 31 3HD1 ILE 31 12.170 -15.127 7.084 242 H MET 32 H MET 32 13.933 -11.683 8.464 243 HA MET 32 HA MET 32 12.706 -9.370 9.913 244 HB2 MET 32 1HB MET 32 14.916 -8.246 9.742 245 HB3 MET 32 2HB MET 32 14.915 -9.648 10.799 246 HG2 MET 32 1HG MET 32 15.679 -10.765 8.411 247 HG3 MET 32 2HG MET 32 16.420 -9.168 8.338 248 HE1 MET 32 1HE MET 32 17.161 -12.464 11.528 249 HE2 MET 32 2HE MET 32 15.570 -11.682 11.415 250 HE3 MET 32 3HE MET 32 16.189 -12.647 10.052 251 H THR 33 H THR 33 12.640 -7.420 8.774 252 HA THR 33 HA THR 33 12.198 -7.840 5.874 253 HB THR 33 HB THR 33 11.716 -5.423 7.676 254 HG1 THR 33 HG1 THR 33 9.521 -6.126 7.421 255 HG21 THR 33 1HG2 THR 33 11.960 -4.691 5.395 256 HG22 THR 33 2HG2 THR 33 10.235 -4.691 5.803 257 HG23 THR 33 3HG2 THR 33 10.907 -6.007 4.808 258 H VAL 34 H VAL 34 13.932 -7.566 4.543 259 HA VAL 34 HA VAL 34 16.209 -5.939 5.400 260 HB VAL 34 HB VAL 34 15.744 -7.231 2.718 261 HG11 VAL 34 1HG1 VAL 34 17.495 -5.550 2.626 262 HG12 VAL 34 2HG1 VAL 34 18.262 -6.217 4.089 263 HG13 VAL 34 3HG1 VAL 34 18.235 -7.160 2.578 264 HG21 VAL 34 1HG2 VAL 34 16.930 -8.298 5.278 265 HG22 VAL 34 2HG2 VAL 34 15.616 -8.983 4.289 266 HG23 VAL 34 3HG2 VAL 34 17.282 -9.000 3.694 267 H LEU 35 H LEU 35 16.453 -3.888 5.056 268 HA LEU 35 HA LEU 35 14.549 -2.506 3.260 269 HB2 LEU 35 1HB LEU 35 16.505 -1.508 5.343 270 HB3 LEU 35 2HB LEU 35 15.354 -0.506 4.471 271 HG LEU 35 HG LEU 35 14.582 -2.798 6.312 272 HD11 LEU 35 1HD1 LEU 35 14.768 0.174 6.747 273 HD12 LEU 35 2HD1 LEU 35 15.663 -1.129 7.573 274 HD13 LEU 35 3HD1 LEU 35 13.917 -0.958 7.824 275 HD21 LEU 35 1HD2 LEU 35 12.347 -1.725 6.260 276 HD22 LEU 35 2HD2 LEU 35 12.842 -2.334 4.673 277 HD23 LEU 35 3HD2 LEU 35 12.937 -0.592 5.023 278 H GLU 36 H GLU 36 18.088 -2.770 3.928 279 HA GLU 36 HA GLU 36 18.488 -2.491 1.041 280 HB2 GLU 36 1HB GLU 36 19.779 -0.582 0.951 281 HB3 GLU 36 2HB GLU 36 18.432 -0.123 1.974 282 HG2 GLU 36 1HG GLU 36 19.921 -0.549 3.901 283 HG3 GLU 36 2HG GLU 36 21.238 -0.653 2.734 284 H ARG 37 H ARG 37 21.019 -2.560 0.625 285 HA ARG 37 HA ARG 37 22.213 -4.427 2.634 286 HB2 ARG 37 1HB ARG 37 22.333 -4.662 -0.391 287 HB3 ARG 37 2HB ARG 37 23.131 -5.726 0.769 288 HG2 ARG 37 1HG ARG 37 20.792 -6.312 1.639 289 HG3 ARG 37 2HG ARG 37 20.168 -5.467 0.211 290 HD2 ARG 37 1HD ARG 37 21.949 -7.900 0.288 291 HD3 ARG 37 2HD ARG 37 20.298 -7.792 -0.340 292 HE ARG 37 HE ARG 37 21.916 -5.938 -1.753 293 HH11 ARG 37 1HH1 ARG 37 21.690 -9.438 -1.426 294 HH12 ARG 37 2HH1 ARG 37 22.365 -9.724 -3.008 295 HH21 ARG 37 1HH2 ARG 37 22.769 -6.364 -3.745 296 HH22 ARG 37 2HH2 ARG 37 22.962 -8.004 -4.303 297 H ASP 38 H ASP 38 24.463 -4.253 2.756 298 HA ASP 38 HA ASP 38 26.441 -3.182 2.788 299 HB2 ASP 38 1HB ASP 38 25.782 -2.337 -0.042 300 HB3 ASP 38 2HB ASP 38 27.388 -2.549 0.673 301 H THR 39 H THR 39 24.229 -2.046 3.854 302 HA THR 39 HA THR 39 23.704 0.674 3.224 303 HB THR 39 HB THR 39 22.150 -0.695 4.530 304 HG1 THR 39 HG1 THR 39 21.819 1.372 5.073 305 HG21 THR 39 1HG2 THR 39 22.602 -1.240 6.864 306 HG22 THR 39 2HG2 THR 39 24.305 -0.810 6.615 307 HG23 THR 39 3HG2 THR 39 23.572 -2.152 5.706 308 H GLN 40 H GLN 40 24.373 2.575 4.140 309 HA GLN 40 HA GLN 40 25.851 4.088 4.954 310 HB2 GLN 40 1HB GLN 40 26.639 2.168 7.125 311 HB3 GLN 40 2HB GLN 40 26.521 3.924 7.181 312 HG2 GLN 40 1HG GLN 40 24.003 3.576 6.805 313 HG3 GLN 40 2HG GLN 40 24.301 1.878 7.178 314 HE21 GLN 40 1HE2 GLN 40 24.429 2.337 10.616 315 HE22 GLN 40 2HE2 GLN 40 24.463 1.241 9.253 316 H GLY 41 H GLY 41 26.891 1.736 3.183 317 HA2 GLY 41 1HA GLY 41 28.933 1.515 2.081 318 HA3 GLY 41 2HA GLY 41 29.684 2.628 3.243 319 H LEU 42 H LEU 42 27.823 0.176 4.751 320 HA LEU 42 HA LEU 42 30.299 -1.124 5.684 321 HB2 LEU 42 1HB LEU 42 27.399 -1.498 6.469 322 HB3 LEU 42 2HB LEU 42 28.789 -2.163 7.307 323 HG LEU 42 HG LEU 42 28.269 0.809 7.047 324 HD11 LEU 42 1HD1 LEU 42 26.398 -0.242 8.178 325 HD12 LEU 42 2HD1 LEU 42 27.386 0.655 9.347 326 HD13 LEU 42 3HD1 LEU 42 27.509 -1.120 9.264 327 HD21 LEU 42 1HD2 LEU 42 29.772 0.925 8.993 328 HD22 LEU 42 2HD2 LEU 42 30.579 0.183 7.596 329 HD23 LEU 42 3HD2 LEU 42 29.989 -0.837 8.932 330 H ASP 43 H ASP 43 30.895 -2.276 3.830 331 HA ASP 43 HA ASP 43 29.166 -3.796 2.186 332 HB2 ASP 43 1HB ASP 43 32.092 -3.811 2.793 333 HB3 ASP 43 2HB ASP 43 31.421 -5.260 2.031 334 H GLY 44 H GLY 44 28.115 -5.657 2.370 335 HA2 GLY 44 1HA GLY 44 27.760 -7.850 3.123 336 HA3 GLY 44 2HA GLY 44 29.062 -7.672 4.302 337 H TRP 45 H TRP 45 27.521 -4.971 5.084 338 HA TRP 45 HA TRP 45 25.791 -6.334 7.057 339 HB2 TRP 45 1HB TRP 45 26.903 -3.565 6.668 340 HB3 TRP 45 2HB TRP 45 25.668 -3.872 7.852 341 HD1 TRP 45 HD1 TRP 45 29.370 -4.067 7.375 342 HE1 TRP 45 HE1 TRP 45 30.538 -5.074 9.396 343 HE3 TRP 45 HE3 TRP 45 25.214 -5.865 9.697 344 HZ2 TRP 45 HZ2 TRP 45 29.733 -6.575 11.720 345 HZ3 TRP 45 HZ3 TRP 45 25.463 -7.073 11.851 346 HH2 TRP 45 HH2 TRP 45 27.693 -7.436 12.840 347 H TRP 46 H TRP 46 23.619 -6.351 6.860 348 HA TRP 46 HA TRP 46 22.458 -4.706 4.638 349 HB2 TRP 46 1HB TRP 46 21.589 -7.381 5.789 350 HB3 TRP 46 2HB TRP 46 20.716 -6.482 4.542 351 HD1 TRP 46 HD1 TRP 46 24.143 -5.965 3.511 352 HE1 TRP 46 HE1 TRP 46 24.987 -7.615 1.788 353 HE3 TRP 46 HE3 TRP 46 20.520 -9.516 4.147 354 HZ2 TRP 46 HZ2 TRP 46 24.192 -10.188 0.799 355 HZ3 TRP 46 HZ3 TRP 46 20.650 -11.610 2.799 356 HH2 TRP 46 HH2 TRP 46 22.440 -11.918 1.113 357 H LEU 47 H LEU 47 20.944 -3.244 5.164 358 HA LEU 47 HA LEU 47 20.255 -2.854 7.981 359 HB2 LEU 47 1HB LEU 47 20.549 -0.958 6.391 360 HB3 LEU 47 2HB LEU 47 19.209 -1.568 5.433 361 HG LEU 47 HG LEU 47 17.665 -1.105 7.252 362 HD11 LEU 47 1HD1 LEU 47 20.108 -0.113 8.729 363 HD12 LEU 47 2HD1 LEU 47 19.010 -1.431 9.203 364 HD13 LEU 47 3HD1 LEU 47 18.435 0.243 9.208 365 HD21 LEU 47 1HD2 LEU 47 19.459 1.261 6.614 366 HD22 LEU 47 2HD2 LEU 47 17.762 1.342 7.156 367 HD23 LEU 47 3HD2 LEU 47 18.158 0.632 5.578 368 H CYS 48 H CYS 48 18.652 -3.919 8.976 369 HA CYS 48 HA CYS 48 16.289 -4.671 7.328 370 HB2 CYS 48 1HB CYS 48 17.477 -6.500 9.439 371 HB3 CYS 48 2HB CYS 48 16.200 -6.861 8.279 372 HG CYS 48 HG CYS 48 19.399 -6.248 7.694 373 H SER 49 H SER 49 14.485 -5.405 8.803 374 HA SER 49 HA SER 49 14.549 -3.890 11.368 375 HB2 SER 49 1HB SER 49 12.860 -2.578 10.735 376 HB3 SER 49 2HB SER 49 13.137 -3.123 9.092 377 HG SER 49 HG SER 49 10.989 -3.464 9.637 378 H LEU 50 H LEU 50 13.900 -5.025 13.053 379 HA LEU 50 HA LEU 50 12.294 -7.509 12.664 380 HB2 LEU 50 1HB LEU 50 14.731 -8.134 12.597 381 HB3 LEU 50 2HB LEU 50 14.936 -7.356 14.168 382 HG LEU 50 HG LEU 50 12.868 -9.116 14.653 383 HD11 LEU 50 1HD1 LEU 50 13.236 -10.057 12.395 384 HD12 LEU 50 2HD1 LEU 50 13.379 -11.208 13.740 385 HD13 LEU 50 3HD1 LEU 50 14.846 -10.576 12.955 386 HD21 LEU 50 1HD2 LEU 50 15.849 -9.460 14.998 387 HD22 LEU 50 2HD2 LEU 50 14.622 -10.499 15.767 388 HD23 LEU 50 3HD2 LEU 50 14.693 -8.766 16.154 389 H HIS 51 H HIS 51 10.861 -7.712 14.314 390 HA HIS 51 HA HIS 51 9.597 -7.124 16.132 391 HB2 HIS 51 1HB HIS 51 12.285 -6.525 17.418 392 HB3 HIS 51 2HB HIS 51 10.760 -6.774 18.265 393 HD1 HIS 51 HD1 HIS 51 13.292 -8.594 18.748 394 HD2 HIS 51 HD2 HIS 51 10.130 -9.502 16.194 395 HE1 HIS 51 HE1 HIS 51 13.250 -11.111 18.485 396 H GLY 52 H GLY 52 10.285 -4.991 14.151 397 HA2 GLY 52 1HA GLY 52 9.529 -2.806 13.966 398 HA3 GLY 52 2HA GLY 52 9.223 -2.773 15.702 399 H ARG 53 H ARG 53 12.440 -3.775 15.175 400 HA ARG 53 HA ARG 53 13.389 -0.960 15.571 401 HB2 ARG 53 1HB ARG 53 13.644 -3.022 17.328 402 HB3 ARG 53 2HB ARG 53 15.063 -3.329 16.338 403 HG2 ARG 53 1HG ARG 53 14.526 -0.611 17.611 404 HG3 ARG 53 2HG ARG 53 15.365 -1.916 18.463 405 HD2 ARG 53 1HD ARG 53 16.998 -1.995 16.503 406 HD3 ARG 53 2HD ARG 53 16.271 -0.472 15.954 407 HE ARG 53 HE ARG 53 16.971 -0.135 18.660 408 HH11 ARG 53 1HH1 ARG 53 18.690 -0.640 15.595 409 HH12 ARG 53 2HH1 ARG 53 20.146 0.112 16.218 410 HH21 ARG 53 1HH2 ARG 53 18.862 0.839 19.314 411 HH22 ARG 53 2HH2 ARG 53 20.246 0.897 18.247 412 H GLN 54 H GLN 54 14.930 -0.279 14.163 413 HA GLN 54 HA GLN 54 15.585 -2.082 11.901 414 HB2 GLN 54 1HB GLN 54 15.267 0.817 12.321 415 HB3 GLN 54 2HB GLN 54 16.675 0.382 11.344 416 HG2 GLN 54 1HG GLN 54 15.252 -0.855 9.826 417 HG3 GLN 54 2HG GLN 54 13.835 -0.508 10.823 418 HE21 GLN 54 1HE2 GLN 54 15.522 2.712 8.879 419 HE22 GLN 54 2HE2 GLN 54 16.552 1.515 9.623 420 H GLY 55 H GLY 55 17.736 -2.508 11.286 421 HA2 GLY 55 1HA GLY 55 19.983 -1.202 12.437 422 HA3 GLY 55 2HA GLY 55 19.652 -2.665 13.376 423 H ILE 56 H ILE 56 22.042 -2.503 12.107 424 HA ILE 56 HA ILE 56 21.824 -3.731 9.446 425 HB ILE 56 HB ILE 56 24.288 -3.724 9.428 426 HG12 ILE 56 1HG1 ILE 56 24.030 -2.782 12.328 427 HG13 ILE 56 2HG1 ILE 56 24.616 -4.359 11.818 428 HG21 ILE 56 1HG2 ILE 56 23.345 -1.093 10.686 429 HG22 ILE 56 2HG2 ILE 56 24.592 -1.347 9.438 430 HG23 ILE 56 3HG2 ILE 56 22.883 -1.598 9.043 431 HD11 ILE 56 1HD1 ILE 56 25.935 -1.663 11.470 432 HD12 ILE 56 2HD1 ILE 56 26.515 -3.079 12.370 433 HD13 ILE 56 3HD1 ILE 56 26.472 -3.116 10.596 434 H VAL 57 H VAL 57 22.753 -5.744 8.916 435 HA VAL 57 HA VAL 57 22.876 -7.772 11.102 436 HB VAL 57 HB VAL 57 21.209 -7.893 8.585 437 HG11 VAL 57 1HG1 VAL 57 21.787 -10.025 10.542 438 HG12 VAL 57 2HG1 VAL 57 20.419 -10.083 9.426 439 HG13 VAL 57 3HG1 VAL 57 22.076 -10.029 8.794 440 HG21 VAL 57 1HG2 VAL 57 20.041 -6.602 10.246 441 HG22 VAL 57 2HG2 VAL 57 19.284 -8.207 10.198 442 HG23 VAL 57 3HG2 VAL 57 20.428 -7.795 11.502 443 HA PRO 58 HA PRO 58 26.194 -8.898 8.314 444 HB2 PRO 58 1HB PRO 58 26.824 -11.389 9.253 445 HB3 PRO 58 2HB PRO 58 27.237 -9.891 10.143 446 HG2 PRO 58 1HG PRO 58 24.923 -11.758 10.571 447 HG3 PRO 58 2HG PRO 58 26.046 -11.052 11.772 448 HD2 PRO 58 1HD PRO 58 23.566 -10.013 11.242 449 HD3 PRO 58 2HD PRO 58 24.948 -9.003 11.748 450 H GLY 59 H GLY 59 25.491 -9.232 6.249 451 HA2 GLY 59 1HA GLY 59 23.325 -10.904 5.515 452 HA3 GLY 59 2HA GLY 59 24.587 -10.298 4.428 453 H ASN 60 H ASN 60 26.627 -11.677 6.193 454 HA ASN 60 HA ASN 60 26.875 -14.107 4.727 455 HB2 ASN 60 1HB ASN 60 28.638 -12.656 5.985 456 HB3 ASN 60 2HB ASN 60 28.181 -13.600 7.411 457 HD21 ASN 60 1HD2 ASN 60 30.866 -15.618 6.331 458 HD22 ASN 60 2HD2 ASN 60 30.370 -14.355 7.440 459 H ARG 61 H ARG 61 24.932 -13.363 7.492 460 HA ARG 61 HA ARG 61 24.578 -16.297 8.049 461 HB2 ARG 61 1HB ARG 61 24.098 -13.884 9.844 462 HB3 ARG 61 2HB ARG 61 23.719 -15.557 10.265 463 HG2 ARG 61 1HG ARG 61 26.113 -16.139 10.077 464 HG3 ARG 61 2HG ARG 61 26.488 -14.437 9.736 465 HD2 ARG 61 1HD ARG 61 25.548 -13.780 11.906 466 HD3 ARG 61 2HD ARG 61 25.101 -15.466 12.234 467 HE ARG 61 HE ARG 61 27.892 -15.361 11.658 468 HH11 ARG 61 1HH1 ARG 61 25.672 -14.400 14.248 469 HH12 ARG 61 2HH1 ARG 61 26.919 -14.517 15.459 470 HH21 ARG 61 1HH2 ARG 61 29.380 -15.517 13.235 471 HH22 ARG 61 2HH2 ARG 61 28.992 -15.135 14.900 472 H LEU 62 H LEU 62 23.269 -14.073 6.146 473 HA LEU 62 HA LEU 62 20.470 -14.698 6.983 474 HB2 LEU 62 1HB LEU 62 21.524 -12.273 7.212 475 HB3 LEU 62 2HB LEU 62 21.147 -12.200 5.491 476 HG LEU 62 HG LEU 62 18.803 -12.740 6.036 477 HD11 LEU 62 1HD1 LEU 62 19.059 -13.801 8.156 478 HD12 LEU 62 2HD1 LEU 62 17.955 -12.435 8.249 479 HD13 LEU 62 3HD1 LEU 62 19.614 -12.279 8.876 480 HD21 LEU 62 1HD2 LEU 62 20.044 -10.267 7.228 481 HD22 LEU 62 2HD2 LEU 62 18.299 -10.468 6.984 482 HD23 LEU 62 3HD2 LEU 62 19.393 -10.484 5.590 483 H LYS 63 H LYS 63 18.975 -15.185 5.490 484 HA LYS 63 HA LYS 63 19.971 -15.381 2.669 485 HB2 LYS 63 1HB LYS 63 19.687 -17.587 3.653 486 HB3 LYS 63 2HB LYS 63 18.054 -17.191 4.176 487 HG2 LYS 63 1HG LYS 63 17.270 -17.084 1.885 488 HG3 LYS 63 2HG LYS 63 18.917 -17.265 1.257 489 HD2 LYS 63 1HD LYS 63 17.556 -19.368 2.979 490 HD3 LYS 63 2HD LYS 63 17.473 -19.351 1.203 491 HE2 LYS 63 1HE LYS 63 19.936 -19.377 1.093 492 HE3 LYS 63 2HE LYS 63 20.009 -19.456 2.857 493 HZ1 LYS 63 1HZ LYS 63 20.273 -21.632 1.876 494 HZ2 LYS 63 2HZ LYS 63 18.815 -21.523 1.111 495 HZ3 LYS 63 3HZ LYS 63 18.881 -21.588 2.756 496 H ILE 64 H ILE 64 19.017 -14.081 1.345 497 HA ILE 64 HA ILE 64 16.567 -12.710 1.989 498 HB ILE 64 HB ILE 64 17.978 -13.067 -0.696 499 HG12 ILE 64 1HG1 ILE 64 19.495 -12.095 0.944 500 HG13 ILE 64 2HG1 ILE 64 19.027 -10.902 -0.251 501 HG21 ILE 64 1HG2 ILE 64 15.767 -12.269 -1.090 502 HG22 ILE 64 2HG2 ILE 64 15.863 -11.142 0.270 503 HG23 ILE 64 3HG2 ILE 64 16.838 -10.854 -1.187 504 HD11 ILE 64 1HD1 ILE 64 18.164 -11.069 2.661 505 HD12 ILE 64 2HD1 ILE 64 19.016 -9.752 1.833 506 HD13 ILE 64 3HD1 ILE 64 17.307 -10.037 1.486 507 H LEU 65 H LEU 65 14.534 -13.404 1.747 508 HA LEU 65 HA LEU 65 14.113 -15.952 0.276 509 HB2 LEU 65 1HB LEU 65 12.202 -14.345 2.003 510 HB3 LEU 65 2HB LEU 65 11.944 -15.976 1.383 511 HG LEU 65 HG LEU 65 14.049 -15.137 3.416 512 HD11 LEU 65 1HD1 LEU 65 11.477 -16.719 3.753 513 HD12 LEU 65 2HD1 LEU 65 11.738 -15.028 4.249 514 HD13 LEU 65 3HD1 LEU 65 12.652 -16.323 5.028 515 HD21 LEU 65 1HD2 LEU 65 13.376 -17.910 2.327 516 HD22 LEU 65 2HD2 LEU 65 14.376 -17.609 3.766 517 HD23 LEU 65 3HD2 LEU 65 14.930 -17.048 2.183 518 H VAL 66 H VAL 66 14.298 -15.245 -1.825 519 HA VAL 66 HA VAL 66 12.943 -12.851 -2.751 520 HB VAL 66 HB VAL 66 14.229 -15.121 -4.366 521 HG11 VAL 66 1HG1 VAL 66 14.437 -13.354 -6.143 522 HG12 VAL 66 2HG1 VAL 66 12.762 -13.788 -5.779 523 HG13 VAL 66 3HG1 VAL 66 13.443 -12.272 -5.139 524 HG21 VAL 66 1HG2 VAL 66 16.206 -13.621 -4.521 525 HG22 VAL 66 2HG2 VAL 66 15.416 -12.473 -3.416 526 HG23 VAL 66 3HG2 VAL 66 15.876 -14.097 -2.846 527 H GLY 67 H GLY 67 10.779 -12.818 -2.821 528 HA2 GLY 67 1HA GLY 67 9.234 -15.238 -3.415 529 HA3 GLY 67 2HA GLY 67 8.605 -13.624 -3.041 530 H MET 68 H MET 68 10.854 -14.768 -5.592 531 HA MET 68 HA MET 68 8.903 -14.053 -7.691 532 HB2 MET 68 1HB MET 68 10.173 -11.943 -6.947 533 HB3 MET 68 2HB MET 68 11.633 -12.713 -7.566 534 HG2 MET 68 1HG MET 68 10.793 -11.162 -9.199 535 HG3 MET 68 2HG MET 68 10.590 -12.805 -9.825 536 HE1 MET 68 1HE MET 68 7.488 -10.741 -11.223 537 HE2 MET 68 2HE MET 68 9.097 -10.066 -10.881 538 HE3 MET 68 3HE MET 68 8.947 -11.658 -11.667 539 H TYR 69 H TYR 69 9.519 -14.944 -9.698 540 HA TYR 69 HA TYR 69 10.410 -16.435 -11.139 541 HB2 TYR 69 1HB TYR 69 13.021 -16.262 -9.626 542 HB3 TYR 69 2HB TYR 69 12.772 -16.694 -11.317 543 HD1 TYR 69 HD1 TYR 69 11.559 -14.788 -12.786 544 HD2 TYR 69 HD2 TYR 69 13.713 -14.084 -9.126 545 HE1 TYR 69 HE1 TYR 69 11.888 -12.399 -13.433 546 HE2 TYR 69 HE2 TYR 69 14.050 -11.700 -9.792 547 HH TYR 69 HH TYR 69 13.661 -10.091 -11.375 548 H ASP 70 H ASP 70 9.645 -17.456 -8.170 549 HA ASP 70 HA ASP 70 11.117 -19.974 -8.196 550 HB2 ASP 70 1HB ASP 70 10.325 -18.831 -6.094 551 HB3 ASP 70 2HB ASP 70 8.673 -19.289 -6.543 552 H LYS 71 H LYS 71 10.627 -21.730 -9.241 553 HA LYS 71 HA LYS 71 7.832 -22.515 -9.665 554 HB2 LYS 71 1HB LYS 71 9.185 -21.194 -11.737 555 HB3 LYS 71 2HB LYS 71 9.365 -22.892 -12.158 556 HG2 LYS 71 1HG LYS 71 6.734 -21.471 -11.586 557 HG3 LYS 71 2HG LYS 71 7.369 -21.858 -13.194 558 HD2 LYS 71 1HD LYS 71 7.295 -24.281 -12.622 559 HD3 LYS 71 2HD LYS 71 6.601 -23.870 -11.039 560 HE2 LYS 71 1HE LYS 71 4.691 -22.767 -12.183 561 HE3 LYS 71 2HE LYS 71 5.362 -23.277 -13.750 562 HZ1 LYS 71 1HZ LYS 71 5.163 -25.577 -13.004 563 HZ2 LYS 71 2HZ LYS 71 3.692 -24.831 -12.951 564 HZ3 LYS 71 3HZ LYS 71 4.534 -25.097 -11.558 565 H LYS 72 H LYS 72 10.095 -23.278 -8.017 566 HA LYS 72 HA LYS 72 11.416 -25.565 -9.263 567 HB2 LYS 72 1HB LYS 72 11.326 -24.506 -6.415 568 HB3 LYS 72 2HB LYS 72 12.369 -25.830 -6.950 569 HG2 LYS 72 1HG LYS 72 13.508 -24.346 -8.527 570 HG3 LYS 72 2HG LYS 72 12.428 -23.012 -8.080 571 HD2 LYS 72 1HD LYS 72 13.250 -23.152 -5.752 572 HD3 LYS 72 2HD LYS 72 14.402 -24.411 -6.260 573 HE2 LYS 72 1HE LYS 72 15.383 -22.827 -7.897 574 HE3 LYS 72 2HE LYS 72 14.236 -21.578 -7.366 575 HZ1 LYS 72 1HZ LYS 72 15.211 -21.708 -5.164 576 HZ2 LYS 72 2HZ LYS 72 16.365 -21.328 -6.282 577 HZ3 LYS 72 3HZ LYS 72 16.288 -22.854 -5.661 578 HA PRO 73 HA PRO 73 8.509 -28.606 -8.025 579 HB2 PRO 73 1HB PRO 73 9.995 -30.851 -7.621 580 HB3 PRO 73 2HB PRO 73 9.811 -30.128 -9.253 581 HG2 PRO 73 1HG PRO 73 12.049 -29.773 -7.269 582 HG3 PRO 73 2HG PRO 73 12.143 -30.233 -9.000 583 HD2 PRO 73 1HD PRO 73 12.514 -27.682 -8.181 584 HD3 PRO 73 2HD PRO 73 11.672 -28.057 -9.724 585 H ALA 74 H ALA 74 7.727 -29.836 -6.250 586 HA ALA 74 HA ALA 74 7.252 -30.279 -4.085 587 HB1 ALA 74 1HB ALA 74 10.220 -29.991 -3.446 588 HB2 ALA 74 2HB ALA 74 9.006 -30.969 -2.587 589 HB3 ALA 74 3HB ALA 74 9.528 -31.436 -4.218 590 H GLY 75 H GLY 75 8.113 -29.389 -1.640 591 HA2 GLY 75 1HA GLY 75 7.319 -26.530 -1.823 592 HA3 GLY 75 2HA GLY 75 7.131 -27.581 -0.410 593 H SER 76 H SER 76 8.263 -25.071 -0.139 594 HA SER 76 HA SER 76 11.118 -25.046 -0.307 595 HB2 SER 76 1HB SER 76 10.823 -23.177 1.410 596 HB3 SER 76 2HB SER 76 9.939 -22.986 -0.122 597 HG SER 76 HG SER 76 8.620 -22.575 1.721 598 H GLY 77 H GLY 77 8.921 -26.458 2.010 599 HA2 GLY 77 1HA GLY 77 9.520 -28.117 3.548 600 HA3 GLY 77 2HA GLY 77 11.220 -27.664 3.376 601 H GLY 78 H GLY 78 10.274 -28.241 5.850 602 HA2 GLY 78 1HA GLY 78 9.566 -25.686 7.162 603 HA3 GLY 78 2HA GLY 78 9.635 -27.289 7.922 604 H SER 79 H SER 79 11.022 -24.423 8.175 605 HA SER 79 HA SER 79 13.558 -25.556 9.144 606 HB2 SER 79 1HB SER 79 14.897 -23.839 7.904 607 HB3 SER 79 2HB SER 79 14.151 -25.037 6.827 608 HG SER 79 HG SER 79 12.722 -23.580 6.131 609 H GLY 80 H GLY 80 14.587 -24.095 10.636 610 HA2 GLY 80 1HA GLY 80 14.647 -21.928 11.703 611 HA3 GLY 80 2HA GLY 80 12.924 -21.725 11.372 612 H SER 81 H SER 81 13.195 -24.875 12.293 613 HA SER 81 HA SER 81 12.150 -24.456 14.927 614 HB2 SER 81 1HB SER 81 13.505 -26.929 13.777 615 HB3 SER 81 2HB SER 81 12.401 -26.875 15.170 616 HG SER 81 HG SER 81 11.243 -27.479 13.349 617 H GLY 82 H GLY 82 13.191 -24.895 16.958 618 HA2 GLY 82 1HA GLY 82 15.917 -23.929 17.084 619 HA3 GLY 82 2HA GLY 82 14.896 -24.430 18.438 620 H LEU 83 H LEU 83 16.446 -25.971 15.592 621 HA LEU 83 HA LEU 83 16.810 -28.500 16.967 622 HB2 LEU 83 1HB LEU 83 18.122 -27.414 14.450 623 HB3 LEU 83 2HB LEU 83 18.115 -29.098 14.962 624 HG LEU 83 HG LEU 83 15.644 -27.516 14.171 625 HD11 LEU 83 1HD1 LEU 83 15.729 -28.833 12.089 626 HD12 LEU 83 2HD1 LEU 83 17.253 -29.583 12.625 627 HD13 LEU 83 3HD1 LEU 83 17.189 -27.839 12.284 628 HD21 LEU 83 1HD2 LEU 83 14.568 -29.756 14.049 629 HD22 LEU 83 2HD2 LEU 83 15.091 -29.356 15.694 630 HD23 LEU 83 3HD2 LEU 83 16.047 -30.489 14.711 631 H THR 84 H THR 84 18.543 -25.561 16.892 632 HA THR 84 HA THR 84 20.512 -24.847 17.788 633 HB THR 84 HB THR 84 21.253 -27.417 19.145 634 HG1 THR 84 HG1 THR 84 19.067 -27.566 19.417 635 HG21 THR 84 1HG2 THR 84 20.797 -24.575 20.172 636 HG22 THR 84 2HG2 THR 84 22.370 -25.224 19.652 637 HG23 THR 84 3HG2 THR 84 21.547 -25.916 21.065 638 H ASP 85 H ASP 85 22.939 -26.224 18.228 639 HA ASP 85 HA ASP 85 24.848 -26.655 17.145 640 HB2 ASP 85 1HB ASP 85 22.963 -28.674 15.962 641 HB3 ASP 85 2HB ASP 85 24.652 -28.620 15.450 642 H GLU 86 H GLU 86 25.776 -27.283 14.810 643 HA GLU 86 HA GLU 86 26.595 -26.448 12.882 644 HB2 GLU 86 1HB GLU 86 23.827 -26.086 12.537 645 HB3 GLU 86 2HB GLU 86 24.581 -24.571 12.024 646 HG2 GLU 86 1HG GLU 86 25.401 -27.325 11.051 647 HG3 GLU 86 2HG GLU 86 24.269 -26.256 10.208 648 H LEU 87 H LEU 87 28.190 -25.065 12.669 649 HA LEU 87 HA LEU 87 28.249 -22.854 14.615 650 HB2 LEU 87 1HB LEU 87 30.346 -23.988 12.745 651 HB3 LEU 87 2HB LEU 87 30.632 -22.651 13.854 652 HG LEU 87 HG LEU 87 29.841 -25.462 14.704 653 HD11 LEU 87 1HD1 LEU 87 32.538 -24.049 14.777 654 HD12 LEU 87 2HD1 LEU 87 32.082 -25.379 13.683 655 HD13 LEU 87 3HD1 LEU 87 32.181 -25.666 15.434 656 HD21 LEU 87 1HD2 LEU 87 29.133 -23.817 16.369 657 HD22 LEU 87 2HD2 LEU 87 30.732 -23.032 16.324 658 HD23 LEU 87 3HD2 LEU 87 30.559 -24.680 16.970 659 H ALA 88 H ALA 88 28.078 -20.786 14.222 660 HA ALA 88 HA ALA 88 27.215 -19.968 11.611 661 HB1 ALA 88 1HB ALA 88 26.340 -19.079 13.769 662 HB2 ALA 88 2HB ALA 88 27.893 -18.237 14.003 663 HB3 ALA 88 3HB ALA 88 26.849 -17.826 12.618 664 HA PRO 89 HA PRO 89 31.187 -18.635 10.143 665 HB2 PRO 89 1HB PRO 89 30.461 -17.105 8.018 666 HB3 PRO 89 2HB PRO 89 30.255 -18.879 8.016 667 HG2 PRO 89 1HG PRO 89 28.245 -16.733 8.639 668 HG3 PRO 89 2HG PRO 89 28.095 -18.123 7.518 669 HD2 PRO 89 1HD PRO 89 27.113 -18.174 10.052 670 HD3 PRO 89 2HD PRO 89 27.782 -19.640 9.263 671 HA PRO 90 HA PRO 90 31.730 -14.780 12.078 672 HB2 PRO 90 1HB PRO 90 33.704 -13.463 10.729 673 HB3 PRO 90 2HB PRO 90 34.010 -14.973 11.652 674 HG2 PRO 90 1HG PRO 90 33.498 -14.638 8.707 675 HG3 PRO 90 2HG PRO 90 34.828 -15.519 9.529 676 HD2 PRO 90 1HD PRO 90 32.628 -16.793 8.614 677 HD3 PRO 90 2HD PRO 90 33.411 -17.294 10.148 678 H LYS 91 H LYS 91 31.324 -12.512 12.090 679 HA LYS 91 HA LYS 91 29.602 -11.576 9.872 680 HB2 LYS 91 1HB LYS 91 29.192 -9.634 11.410 681 HB3 LYS 91 2HB LYS 91 28.707 -11.192 12.083 682 HG2 LYS 91 1HG LYS 91 30.696 -11.253 13.507 683 HG3 LYS 91 2HG LYS 91 31.310 -9.768 12.762 684 HD2 LYS 91 1HD LYS 91 30.348 -9.223 14.912 685 HD3 LYS 91 2HD LYS 91 29.334 -8.527 13.642 686 HE2 LYS 91 1HE LYS 91 27.680 -10.330 13.919 687 HE3 LYS 91 2HE LYS 91 28.744 -11.143 15.093 688 HZ1 LYS 91 1HZ LYS 91 27.034 -9.858 16.205 689 HZ2 LYS 91 2HZ LYS 91 27.514 -8.472 15.459 690 HZ3 LYS 91 3HZ LYS 91 28.523 -9.231 16.539 691 HA PRO 92 HA PRO 92 33.020 -9.305 8.268 692 HB2 PRO 92 1HB PRO 92 31.834 -7.147 7.047 693 HB3 PRO 92 2HB PRO 92 31.725 -8.812 6.396 694 HG2 PRO 92 1HG PRO 92 29.757 -7.306 8.038 695 HG3 PRO 92 2HG PRO 92 29.494 -8.268 6.565 696 HD2 PRO 92 1HD PRO 92 29.003 -9.202 9.071 697 HD3 PRO 92 2HD PRO 92 29.565 -10.267 7.735 698 HA PRO 93 HA PRO 93 34.186 -6.327 11.305 699 HB2 PRO 93 1HB PRO 93 35.394 -4.670 9.100 700 HB3 PRO 93 2HB PRO 93 36.161 -5.300 10.592 701 HG2 PRO 93 1HG PRO 93 36.690 -6.369 8.278 702 HG3 PRO 93 2HG PRO 93 36.406 -7.396 9.719 703 HD2 PRO 93 1HD PRO 93 34.534 -6.773 7.438 704 HD3 PRO 93 2HD PRO 93 34.889 -8.310 8.286 705 H LEU 94 H LEU 94 34.193 -4.130 11.922 706 HA LEU 94 HA LEU 94 32.294 -2.350 10.501 707 HB2 LEU 94 1HB LEU 94 32.204 -3.246 13.387 708 HB3 LEU 94 2HB LEU 94 31.607 -1.655 12.938 709 HG LEU 94 HG LEU 94 30.534 -4.296 11.908 710 HD11 LEU 94 1HD1 LEU 94 28.576 -3.723 13.197 711 HD12 LEU 94 2HD1 LEU 94 29.310 -2.174 13.676 712 HD13 LEU 94 3HD1 LEU 94 30.000 -3.713 14.261 713 HD21 LEU 94 1HD2 LEU 94 30.290 -2.582 10.182 714 HD22 LEU 94 2HD2 LEU 94 29.615 -1.441 11.371 715 HD23 LEU 94 3HD2 LEU 94 28.728 -2.912 10.925 716 HA PRO 95 HA PRO 95 35.399 0.677 11.458 717 HB2 PRO 95 1HB PRO 95 33.994 2.988 11.290 718 HB3 PRO 95 2HB PRO 95 34.245 1.947 9.857 719 HG2 PRO 95 1HG PRO 95 31.872 2.090 11.708 720 HG3 PRO 95 2HG PRO 95 31.905 2.173 9.917 721 HD2 PRO 95 1HD PRO 95 31.390 -0.144 11.277 722 HD3 PRO 95 2HD PRO 95 32.238 -0.130 9.706 723 H GLU 96 H GLU 96 35.879 2.512 12.929 724 HA GLU 96 HA GLU 96 34.851 1.925 15.641 725 HB2 GLU 96 1HB GLU 96 37.213 3.576 14.675 726 HB3 GLU 96 2HB GLU 96 36.809 3.262 16.373 727 HG2 GLU 96 1HG GLU 96 37.065 0.825 15.963 728 HG3 GLU 96 2HG GLU 96 37.566 1.173 14.300 729 H GLY 97 H GLY 97 33.118 3.394 13.812 730 HA2 GLY 97 1HA GLY 97 31.519 5.002 14.603 731 HA3 GLY 97 2HA GLY 97 32.800 5.830 15.489 732 H GLU 98 H GLU 98 31.627 7.672 14.409 733 HA GLU 98 HA GLU 98 32.454 8.051 11.572 734 HB2 GLU 98 1HB GLU 98 30.416 9.472 13.320 735 HB3 GLU 98 2HB GLU 98 30.871 9.997 11.696 736 HG2 GLU 98 1HG GLU 98 30.136 7.781 10.823 737 HG3 GLU 98 2HG GLU 98 29.508 7.403 12.442 738 H VAL 99 H VAL 99 33.524 9.879 10.903 739 HA VAL 99 HA VAL 99 35.285 11.150 12.833 740 HB VAL 99 HB VAL 99 34.851 11.774 9.855 741 HG11 VAL 99 1HG1 VAL 99 36.138 13.579 10.983 742 HG12 VAL 99 2HG1 VAL 99 37.236 12.389 11.702 743 HG13 VAL 99 3HG1 VAL 99 37.223 12.646 9.948 744 HG21 VAL 99 1HG2 VAL 99 36.770 9.775 11.208 745 HG22 VAL 99 2HG2 VAL 99 35.462 9.381 10.080 746 HG23 VAL 99 3HG2 VAL 99 36.877 10.258 9.506 747 HXT VAL 99 H02 VAL 99 32.433 11.828 11.657 Start of MODEL 30 1 H2 GLY 1 2H0 GLY 1 2.822 5.720 -2.283 2 H GLY 1 1H0 GLY 1 3.766 4.898 -3.387 3 HA2 GLY 1 1HA GLY 1 2.527 3.646 -0.955 4 HA3 GLY 1 2HA GLY 1 3.630 2.831 -2.084 5 H SER 2 H SER 2 4.873 5.677 -2.014 6 HA SER 2 HA SER 2 6.747 6.667 -1.142 7 HB2 SER 2 1HB SER 2 5.569 5.747 1.492 8 HB3 SER 2 2HB SER 2 6.747 7.055 1.267 9 HG SER 2 HG SER 2 4.496 7.707 1.409 10 H MET 3 H MET 3 6.932 3.643 -1.662 11 HA MET 3 HA MET 3 8.658 2.540 0.320 12 HB2 MET 3 1HB MET 3 8.434 1.921 -2.646 13 HB3 MET 3 2HB MET 3 9.323 0.943 -1.470 14 HG2 MET 3 1HG MET 3 7.236 0.496 -0.248 15 HG3 MET 3 2HG MET 3 6.334 1.495 -1.405 16 HE1 MET 3 1HE MET 3 8.207 -2.695 -2.228 17 HE2 MET 3 2HE MET 3 9.246 -1.313 -1.812 18 HE3 MET 3 3HE MET 3 8.058 -1.923 -0.635 19 H LYS 4 H LYS 4 10.678 2.940 0.797 20 HA LYS 4 HA LYS 4 12.389 4.352 -1.205 21 HB2 LYS 4 1HB LYS 4 11.420 5.470 1.102 22 HB3 LYS 4 2HB LYS 4 12.932 4.761 1.685 23 HG2 LYS 4 1HG LYS 4 13.363 7.043 1.052 24 HG3 LYS 4 2HG LYS 4 14.132 5.990 -0.155 25 HD2 LYS 4 1HD LYS 4 12.137 6.324 -1.640 26 HD3 LYS 4 2HD LYS 4 11.465 7.443 -0.440 27 HE2 LYS 4 1HE LYS 4 13.440 8.900 -0.683 28 HE3 LYS 4 2HE LYS 4 14.145 7.758 -1.851 29 HZ1 LYS 4 1HZ LYS 4 12.236 8.156 -3.297 30 HZ2 LYS 4 2HZ LYS 4 13.003 9.585 -2.971 31 HZ3 LYS 4 3HZ LYS 4 11.587 9.210 -2.205 32 H TYR 5 H TYR 5 11.853 1.536 0.206 33 HA TYR 5 HA TYR 5 14.717 0.805 0.325 34 HB2 TYR 5 1HB TYR 5 12.548 0.381 2.401 35 HB3 TYR 5 2HB TYR 5 13.962 -0.660 2.307 36 HD1 TYR 5 HD1 TYR 5 16.308 0.700 2.057 37 HD2 TYR 5 HD2 TYR 5 12.722 2.234 3.877 38 HE1 TYR 5 HE1 TYR 5 17.667 2.303 3.372 39 HE2 TYR 5 HE2 TYR 5 14.093 3.849 5.181 40 HH TYR 5 HH TYR 5 17.668 3.970 4.916 41 H LEU 6 H LEU 6 14.902 -1.609 0.365 42 HA LEU 6 HA LEU 6 13.544 -2.701 -1.917 43 HB2 LEU 6 1HB LEU 6 15.089 -4.113 0.278 44 HB3 LEU 6 2HB LEU 6 14.732 -4.749 -1.326 45 HG LEU 6 HG LEU 6 16.564 -2.414 -0.783 46 HD11 LEU 6 1HD1 LEU 6 17.438 -4.539 0.146 47 HD12 LEU 6 2HD1 LEU 6 18.393 -3.999 -1.251 48 HD13 LEU 6 3HD1 LEU 6 17.215 -5.327 -1.432 49 HD21 LEU 6 1HD2 LEU 6 16.057 -4.006 -3.313 50 HD22 LEU 6 2HD2 LEU 6 17.324 -2.771 -3.091 51 HD23 LEU 6 3HD2 LEU 6 15.606 -2.311 -3.020 52 H ASN 7 H ASN 7 13.175 -3.117 1.585 53 HA ASN 7 HA ASN 7 11.588 -4.108 2.895 54 HB2 ASN 7 1HB ASN 7 9.798 -3.294 0.592 55 HB3 ASN 7 2HB ASN 7 9.216 -3.808 2.181 56 HD21 ASN 7 1HD2 ASN 7 10.510 -0.856 3.821 57 HD22 ASN 7 2HD2 ASN 7 10.517 -2.592 4.013 58 H VAL 8 H VAL 8 13.041 -6.075 1.709 59 HA VAL 8 HA VAL 8 11.052 -8.085 0.744 60 HB VAL 8 HB VAL 8 12.660 -8.969 -0.635 61 HG11 VAL 8 1HG1 VAL 8 14.259 -6.487 0.022 62 HG12 VAL 8 2HG1 VAL 8 14.283 -7.420 -1.491 63 HG13 VAL 8 3HG1 VAL 8 12.829 -6.508 -1.038 64 HG21 VAL 8 1HG2 VAL 8 14.687 -8.503 1.567 65 HG22 VAL 8 2HG2 VAL 8 14.015 -10.051 1.012 66 HG23 VAL 8 3HG2 VAL 8 15.115 -9.132 -0.031 67 H LEU 9 H LEU 9 11.413 -10.344 1.645 68 HA LEU 9 HA LEU 9 12.084 -10.104 4.543 69 HB2 LEU 9 1HB LEU 9 10.663 -12.310 3.023 70 HB3 LEU 9 2HB LEU 9 10.934 -12.269 4.759 71 HG LEU 9 HG LEU 9 9.216 -10.309 3.196 72 HD11 LEU 9 1HD1 LEU 9 8.481 -12.551 5.113 73 HD12 LEU 9 2HD1 LEU 9 8.264 -12.575 3.345 74 HD13 LEU 9 3HD1 LEU 9 7.347 -11.422 4.342 75 HD21 LEU 9 1HD2 LEU 9 9.755 -10.548 6.182 76 HD22 LEU 9 2HD2 LEU 9 8.453 -9.575 5.467 77 HD23 LEU 9 3HD2 LEU 9 10.140 -9.173 5.127 78 H ALA 10 H ALA 10 13.623 -11.350 5.549 79 HA ALA 10 HA ALA 10 15.098 -13.334 3.869 80 HB1 ALA 10 1HB ALA 10 17.243 -12.473 4.698 81 HB2 ALA 10 2HB ALA 10 16.366 -11.226 3.780 82 HB3 ALA 10 3HB ALA 10 16.396 -11.157 5.556 83 H LYS 11 H LYS 11 15.941 -15.075 5.041 84 HA LYS 11 HA LYS 11 14.947 -15.288 7.864 85 HB2 LYS 11 1HB LYS 11 14.090 -16.991 6.388 86 HB3 LYS 11 2HB LYS 11 15.693 -17.410 5.810 87 HG2 LYS 11 1HG LYS 11 16.281 -18.411 7.903 88 HG3 LYS 11 2HG LYS 11 14.896 -17.688 8.725 89 HD2 LYS 11 1HD LYS 11 14.575 -19.711 6.490 90 HD3 LYS 11 2HD LYS 11 14.786 -20.174 8.185 91 HE2 LYS 11 1HE LYS 11 12.828 -18.679 8.759 92 HE3 LYS 11 2HE LYS 11 12.531 -18.500 7.024 93 HZ1 LYS 11 1HZ LYS 11 12.157 -20.872 6.901 94 HZ2 LYS 11 2HZ LYS 11 11.167 -20.219 8.042 95 HZ3 LYS 11 3HZ LYS 11 12.503 -21.069 8.503 96 H ALA 12 H ALA 12 16.304 -15.682 9.512 97 HA ALA 12 HA ALA 12 19.172 -15.390 9.136 98 HB1 ALA 12 1HB ALA 12 18.049 -14.520 11.120 99 HB2 ALA 12 2HB ALA 12 17.453 -16.145 11.541 100 HB3 ALA 12 3HB ALA 12 19.192 -15.784 11.601 101 H LEU 13 H LEU 13 20.669 -16.983 8.780 102 HA LEU 13 HA LEU 13 19.766 -19.814 8.848 103 HB2 LEU 13 1HB LEU 13 22.420 -18.545 8.111 104 HB3 LEU 13 2HB LEU 13 22.078 -20.255 8.033 105 HG LEU 13 HG LEU 13 21.907 -19.790 5.893 106 HD11 LEU 13 1HD1 LEU 13 19.641 -20.580 6.556 107 HD12 LEU 13 2HD1 LEU 13 19.634 -19.592 5.092 108 HD13 LEU 13 3HD1 LEU 13 19.097 -18.884 6.624 109 HD21 LEU 13 1HD2 LEU 13 22.493 -17.408 6.248 110 HD22 LEU 13 2HD2 LEU 13 20.752 -17.062 6.389 111 HD23 LEU 13 3HD2 LEU 13 21.417 -17.705 4.877 112 H TYR 14 H TYR 14 21.395 -17.522 10.796 113 HA TYR 14 HA TYR 14 22.133 -19.611 12.765 114 HB2 TYR 14 1HB TYR 14 23.971 -17.313 12.025 115 HB3 TYR 14 2HB TYR 14 24.325 -18.675 13.092 116 HD1 TYR 14 HD1 TYR 14 24.137 -17.506 9.617 117 HD2 TYR 14 HD2 TYR 14 24.883 -20.922 12.107 118 HE1 TYR 14 HE1 TYR 14 25.125 -18.688 7.670 119 HE2 TYR 14 HE2 TYR 14 25.888 -22.101 10.151 120 HH TYR 14 HH TYR 14 26.171 -20.563 6.939 121 H ASP 15 H ASP 15 22.459 -18.444 14.932 122 HA ASP 15 HA ASP 15 20.595 -16.163 15.113 123 HB2 ASP 15 1HB ASP 15 21.421 -16.314 17.608 124 HB3 ASP 15 2HB ASP 15 20.313 -17.515 16.955 125 H ASN 16 H ASN 16 21.330 -14.287 16.548 126 HA ASN 16 HA ASN 16 24.159 -13.539 16.125 127 HB2 ASN 16 1HB ASN 16 22.743 -12.849 14.071 128 HB3 ASN 16 2HB ASN 16 21.943 -11.717 15.153 129 HD21 ASN 16 1HD2 ASN 16 24.449 -9.340 14.700 130 HD22 ASN 16 2HD2 ASN 16 22.750 -9.724 14.947 131 H VAL 17 H VAL 17 24.867 -12.116 17.636 132 HA VAL 17 HA VAL 17 22.836 -10.981 19.510 133 HB VAL 17 HB VAL 17 25.755 -11.751 20.057 134 HG11 VAL 17 1HG1 VAL 17 25.230 -11.091 22.413 135 HG12 VAL 17 2HG1 VAL 17 25.126 -9.710 21.301 136 HG13 VAL 17 3HG1 VAL 17 23.637 -10.495 21.882 137 HG21 VAL 17 1HG2 VAL 17 24.772 -13.387 21.672 138 HG22 VAL 17 2HG2 VAL 17 23.141 -12.946 21.101 139 HG23 VAL 17 3HG2 VAL 17 24.299 -13.727 19.998 140 H ALA 18 H ALA 18 22.805 -8.841 19.492 141 HA ALA 18 HA ALA 18 24.359 -7.433 17.502 142 HB1 ALA 18 1HB ALA 18 22.028 -6.929 17.934 143 HB2 ALA 18 2HB ALA 18 22.413 -6.490 19.616 144 HB3 ALA 18 3HB ALA 18 23.047 -5.503 18.284 145 H GLU 19 H GLU 19 26.424 -6.986 17.873 146 HA GLU 19 HA GLU 19 27.320 -6.365 20.658 147 HB2 GLU 19 1HB GLU 19 28.816 -6.899 18.065 148 HB3 GLU 19 2HB GLU 19 29.590 -6.552 19.617 149 HG2 GLU 19 1HG GLU 19 28.601 -8.580 20.582 150 HG3 GLU 19 2HG GLU 19 27.776 -8.919 19.059 151 H SER 20 H SER 20 26.607 -5.028 17.548 152 HA SER 20 HA SER 20 27.966 -2.457 18.181 153 HB2 SER 20 1HB SER 20 26.317 -2.861 15.719 154 HB3 SER 20 2HB SER 20 27.863 -2.022 15.921 155 HG SER 20 HG SER 20 27.416 -4.844 15.807 156 HA PRO 21 HA PRO 21 24.085 -0.937 19.595 157 HB2 PRO 21 1HB PRO 21 24.272 1.740 19.071 158 HB3 PRO 21 2HB PRO 21 25.231 0.935 20.352 159 HG2 PRO 21 1HG PRO 21 26.051 1.627 17.533 160 HG3 PRO 21 2HG PRO 21 26.910 1.937 19.072 161 HD2 PRO 21 1HD PRO 21 27.533 -0.135 17.503 162 HD3 PRO 21 2HD PRO 21 27.586 -0.255 19.302 163 H ASP 22 H ASP 22 25.114 -0.661 16.310 164 HA ASP 22 HA ASP 22 22.463 0.227 15.354 165 HB2 ASP 22 1HB ASP 22 25.118 -0.389 13.987 166 HB3 ASP 22 2HB ASP 22 23.639 0.041 13.108 167 H GLU 23 H GLU 23 23.772 -2.699 16.320 168 HA GLU 23 HA GLU 23 22.905 -4.197 13.937 169 HB2 GLU 23 1HB GLU 23 25.121 -4.440 15.106 170 HB3 GLU 23 2HB GLU 23 24.263 -5.174 16.461 171 HG2 GLU 23 1HG GLU 23 23.515 -6.995 14.986 172 HG3 GLU 23 2HG GLU 23 24.317 -6.204 13.624 173 H LEU 24 H LEU 24 21.593 -6.081 14.047 174 HA LEU 24 HA LEU 24 19.501 -5.927 16.174 175 HB2 LEU 24 1HB LEU 24 19.549 -7.270 13.464 176 HB3 LEU 24 2HB LEU 24 18.262 -7.505 14.643 177 HG LEU 24 HG LEU 24 19.018 -4.858 13.356 178 HD11 LEU 24 1HD1 LEU 24 16.784 -5.114 12.259 179 HD12 LEU 24 2HD1 LEU 24 16.707 -6.765 12.906 180 HD13 LEU 24 3HD1 LEU 24 17.985 -6.319 11.752 181 HD21 LEU 24 1HD2 LEU 24 16.791 -5.601 15.301 182 HD22 LEU 24 2HD2 LEU 24 16.867 -4.078 14.393 183 HD23 LEU 24 3HD2 LEU 24 18.135 -4.457 15.576 184 H SER 25 H SER 25 18.896 -7.623 17.402 185 HA SER 25 HA SER 25 20.735 -9.983 17.423 186 HB2 SER 25 1HB SER 25 18.822 -8.955 19.581 187 HB3 SER 25 2HB SER 25 19.896 -10.357 19.706 188 HG SER 25 HG SER 25 20.725 -7.683 19.333 189 H PHE 26 H PHE 26 19.879 -11.869 16.865 190 HA PHE 26 HA PHE 26 16.987 -12.395 17.119 191 HB2 PHE 26 1HB PHE 26 16.730 -12.986 14.712 192 HB3 PHE 26 2HB PHE 26 16.932 -11.263 15.019 193 HD1 PHE 26 HD1 PHE 26 18.601 -10.018 13.973 194 HD2 PHE 26 HD2 PHE 26 18.812 -14.313 13.933 195 HE1 PHE 26 HE1 PHE 26 20.416 -9.911 12.304 196 HE2 PHE 26 HE2 PHE 26 20.657 -14.211 12.270 197 HZ PHE 26 HZ PHE 26 21.440 -12.027 11.425 198 H ARG 27 H ARG 27 16.439 -14.630 16.146 199 HA ARG 27 HA ARG 27 18.672 -16.464 16.880 200 HB2 ARG 27 1HB ARG 27 16.485 -16.348 18.225 201 HB3 ARG 27 2HB ARG 27 15.697 -17.041 16.815 202 HG2 ARG 27 1HG ARG 27 16.101 -18.841 18.267 203 HG3 ARG 27 2HG ARG 27 17.331 -18.978 17.010 204 HD2 ARG 27 1HD ARG 27 18.916 -17.735 18.548 205 HD3 ARG 27 2HD ARG 27 17.694 -17.871 19.823 206 HE ARG 27 HE ARG 27 19.464 -19.961 18.777 207 HH11 ARG 27 1HH1 ARG 27 16.477 -19.379 20.589 208 HH12 ARG 27 2HH1 ARG 27 16.537 -20.942 21.357 209 HH21 ARG 27 1HH2 ARG 27 19.466 -21.929 19.798 210 HH22 ARG 27 2HH2 ARG 27 18.193 -22.359 20.915 211 H LYS 28 H LYS 28 18.883 -18.450 15.651 212 HA LYS 28 HA LYS 28 18.721 -18.269 12.814 213 HB2 LYS 28 1HB LYS 28 20.139 -19.885 14.029 214 HB3 LYS 28 2HB LYS 28 18.714 -20.649 14.729 215 HG2 LYS 28 1HG LYS 28 18.039 -21.521 12.575 216 HG3 LYS 28 2HG LYS 28 19.319 -20.614 11.765 217 HD2 LYS 28 1HD LYS 28 21.037 -21.856 13.014 218 HD3 LYS 28 2HD LYS 28 19.775 -22.773 13.845 219 HE2 LYS 28 1HE LYS 28 19.044 -23.747 11.702 220 HE3 LYS 28 2HE LYS 28 20.268 -22.783 10.846 221 HZ1 LYS 28 1HZ LYS 28 20.866 -24.835 12.906 222 HZ2 LYS 28 2HZ LYS 28 21.982 -23.931 12.086 223 HZ3 LYS 28 3HZ LYS 28 21.068 -25.032 11.276 224 H GLY 29 H GLY 29 17.092 -18.528 11.416 225 HA2 GLY 29 1HA GLY 29 15.090 -19.548 10.650 226 HA3 GLY 29 2HA GLY 29 14.608 -19.878 12.320 227 H ASP 30 H ASP 30 15.525 -16.826 12.754 228 HA ASP 30 HA ASP 30 12.809 -15.859 12.674 229 HB2 ASP 30 1HB ASP 30 15.492 -14.546 13.202 230 HB3 ASP 30 2HB ASP 30 13.992 -13.623 13.164 231 H ILE 31 H ILE 31 12.012 -14.015 11.555 232 HA ILE 31 HA ILE 31 13.234 -13.664 8.856 233 HB ILE 31 HB ILE 31 10.314 -13.357 9.683 234 HG12 ILE 31 1HG1 ILE 31 10.884 -15.700 9.629 235 HG13 ILE 31 2HG1 ILE 31 9.909 -15.297 8.223 236 HG21 ILE 31 1HG2 ILE 31 10.756 -11.790 7.903 237 HG22 ILE 31 2HG2 ILE 31 11.720 -12.970 6.996 238 HG23 ILE 31 3HG2 ILE 31 9.956 -13.180 7.156 239 HD11 ILE 31 1HD1 ILE 31 12.825 -16.005 8.357 240 HD12 ILE 31 2HD1 ILE 31 11.537 -16.698 7.355 241 HD13 ILE 31 3HD1 ILE 31 12.190 -15.101 6.952 242 H MET 32 H MET 32 13.901 -11.671 8.352 243 HA MET 32 HA MET 32 12.693 -9.391 9.856 244 HB2 MET 32 1HB MET 32 14.892 -8.266 9.790 245 HB3 MET 32 2HB MET 32 14.860 -9.697 10.804 246 HG2 MET 32 1HG MET 32 15.748 -10.803 8.501 247 HG3 MET 32 2HG MET 32 16.400 -9.175 8.338 248 HE1 MET 32 1HE MET 32 15.717 -11.646 11.520 249 HE2 MET 32 2HE MET 32 16.421 -12.589 10.177 250 HE3 MET 32 3HE MET 32 17.368 -12.293 11.648 251 H THR 33 H THR 33 12.679 -7.441 8.739 252 HA THR 33 HA THR 33 12.243 -7.837 5.830 253 HB THR 33 HB THR 33 11.755 -5.442 7.644 254 HG1 THR 33 HG1 THR 33 9.669 -6.152 7.662 255 HG21 THR 33 1HG2 THR 33 10.281 -4.686 5.766 256 HG22 THR 33 2HG2 THR 33 10.955 -6.001 4.757 257 HG23 THR 33 3HG2 THR 33 12.015 -4.692 5.363 258 H VAL 34 H VAL 34 13.975 -7.566 4.516 259 HA VAL 34 HA VAL 34 16.275 -5.958 5.357 260 HB VAL 34 HB VAL 34 15.677 -7.182 2.646 261 HG11 VAL 34 1HG1 VAL 34 17.427 -5.467 2.524 262 HG12 VAL 34 2HG1 VAL 34 18.277 -6.200 3.908 263 HG13 VAL 34 3HG1 VAL 34 18.163 -7.081 2.361 264 HG21 VAL 34 1HG2 VAL 34 17.088 -8.309 5.078 265 HG22 VAL 34 2HG2 VAL 34 15.675 -8.970 4.219 266 HG23 VAL 34 3HG2 VAL 34 17.265 -8.975 3.450 267 H LEU 35 H LEU 35 16.452 -3.899 5.093 268 HA LEU 35 HA LEU 35 14.494 -2.486 3.392 269 HB2 LEU 35 1HB LEU 35 16.529 -1.514 5.420 270 HB3 LEU 35 2HB LEU 35 15.358 -0.499 4.594 271 HG LEU 35 HG LEU 35 14.660 -2.780 6.473 272 HD11 LEU 35 1HD1 LEU 35 14.724 0.219 6.838 273 HD12 LEU 35 2HD1 LEU 35 15.711 -1.011 7.666 274 HD13 LEU 35 3HD1 LEU 35 13.967 -0.933 7.965 275 HD21 LEU 35 1HD2 LEU 35 12.385 -1.762 6.415 276 HD22 LEU 35 2HD2 LEU 35 12.879 -2.427 4.850 277 HD23 LEU 35 3HD2 LEU 35 12.933 -0.668 5.131 278 H GLU 36 H GLU 36 18.041 -2.717 3.969 279 HA GLU 36 HA GLU 36 18.400 -2.469 1.067 280 HB2 GLU 36 1HB GLU 36 19.755 -0.575 0.979 281 HB3 GLU 36 2HB GLU 36 18.366 -0.094 1.946 282 HG2 GLU 36 1HG GLU 36 19.716 -0.442 3.935 283 HG3 GLU 36 2HG GLU 36 21.110 -0.695 2.873 284 H ARG 37 H ARG 37 20.920 -2.601 0.633 285 HA ARG 37 HA ARG 37 22.133 -4.395 2.692 286 HB2 ARG 37 1HB ARG 37 22.172 -4.794 -0.318 287 HB3 ARG 37 2HB ARG 37 22.997 -5.799 0.878 288 HG2 ARG 37 1HG ARG 37 20.693 -6.307 1.861 289 HG3 ARG 37 2HG ARG 37 20.019 -5.519 0.427 290 HD2 ARG 37 1HD ARG 37 21.796 -7.945 0.466 291 HD3 ARG 37 2HD ARG 37 20.075 -7.896 0.055 292 HE ARG 37 HE ARG 37 21.336 -6.110 -1.690 293 HH11 ARG 37 1HH1 ARG 37 21.652 -9.561 -1.007 294 HH12 ARG 37 2HH1 ARG 37 22.188 -9.925 -2.628 295 HH21 ARG 37 1HH2 ARG 37 22.044 -6.640 -3.712 296 HH22 ARG 37 2HH2 ARG 37 22.414 -8.289 -4.132 297 H ASP 38 H ASP 38 24.410 -4.273 2.721 298 HA ASP 38 HA ASP 38 26.379 -3.186 2.686 299 HB2 ASP 38 1HB ASP 38 25.639 -2.284 -0.105 300 HB3 ASP 38 2HB ASP 38 27.256 -2.508 0.571 301 H THR 39 H THR 39 24.189 -2.128 3.850 302 HA THR 39 HA THR 39 23.510 0.560 3.217 303 HB THR 39 HB THR 39 22.062 -0.856 4.588 304 HG1 THR 39 HG1 THR 39 21.800 1.282 5.084 305 HG21 THR 39 1HG2 THR 39 24.281 -0.875 6.596 306 HG22 THR 39 2HG2 THR 39 23.586 -2.252 5.699 307 HG23 THR 39 3HG2 THR 39 22.603 -1.382 6.882 308 H GLN 40 H GLN 40 24.108 2.492 4.085 309 HA GLN 40 HA GLN 40 25.553 4.095 4.790 310 HB2 GLN 40 1HB GLN 40 26.529 2.272 6.966 311 HB3 GLN 40 2HB GLN 40 26.344 4.020 6.983 312 HG2 GLN 40 1HG GLN 40 23.803 3.536 6.747 313 HG3 GLN 40 2HG GLN 40 24.224 1.879 7.217 314 HE21 GLN 40 1HE2 GLN 40 24.459 2.619 10.615 315 HE22 GLN 40 2HE2 GLN 40 24.437 1.424 9.329 316 H GLY 41 H GLY 41 26.632 1.683 3.073 317 HA2 GLY 41 1HA GLY 41 28.621 1.539 1.880 318 HA3 GLY 41 2HA GLY 41 29.377 2.722 2.971 319 H LEU 42 H LEU 42 27.678 0.245 4.623 320 HA LEU 42 HA LEU 42 30.241 -0.957 5.477 321 HB2 LEU 42 1HB LEU 42 27.371 -1.421 6.372 322 HB3 LEU 42 2HB LEU 42 28.821 -2.026 7.179 323 HG LEU 42 HG LEU 42 28.174 0.921 6.873 324 HD11 LEU 42 1HD1 LEU 42 27.574 -0.973 9.162 325 HD12 LEU 42 2HD1 LEU 42 26.388 -0.189 8.087 326 HD13 LEU 42 3HD1 LEU 42 27.369 0.797 9.200 327 HD21 LEU 42 1HD2 LEU 42 29.714 1.117 8.803 328 HD22 LEU 42 2HD2 LEU 42 30.514 0.458 7.354 329 HD23 LEU 42 3HD2 LEU 42 30.044 -0.629 8.687 330 H ASP 43 H ASP 43 30.805 -2.124 3.641 331 HA ASP 43 HA ASP 43 29.034 -3.651 2.049 332 HB2 ASP 43 1HB ASP 43 31.649 -3.068 1.866 333 HB3 ASP 43 2HB ASP 43 31.762 -4.715 2.537 334 H GLY 44 H GLY 44 28.180 -5.636 2.186 335 HA2 GLY 44 1HA GLY 44 27.931 -7.788 3.001 336 HA3 GLY 44 2HA GLY 44 29.195 -7.520 4.185 337 H TRP 45 H TRP 45 27.542 -4.914 4.997 338 HA TRP 45 HA TRP 45 25.882 -6.362 6.972 339 HB2 TRP 45 1HB TRP 45 26.867 -3.534 6.553 340 HB3 TRP 45 2HB TRP 45 25.661 -3.881 7.751 341 HD1 TRP 45 HD1 TRP 45 29.376 -3.949 7.233 342 HE1 TRP 45 HE1 TRP 45 30.591 -4.826 9.292 343 HE3 TRP 45 HE3 TRP 45 25.318 -5.846 9.659 344 HZ2 TRP 45 HZ2 TRP 45 29.887 -6.253 11.687 345 HZ3 TRP 45 HZ3 TRP 45 25.637 -6.966 11.871 346 HH2 TRP 45 HH2 TRP 45 27.901 -7.171 12.853 347 H TRP 46 H TRP 46 23.684 -6.471 6.819 348 HA TRP 46 HA TRP 46 22.413 -4.868 4.624 349 HB2 TRP 46 1HB TRP 46 21.597 -7.515 5.876 350 HB3 TRP 46 2HB TRP 46 20.664 -6.640 4.652 351 HD1 TRP 46 HD1 TRP 46 24.075 -6.178 3.511 352 HE1 TRP 46 HE1 TRP 46 24.850 -7.847 1.782 353 HE3 TRP 46 HE3 TRP 46 20.341 -9.634 4.184 354 HZ2 TRP 46 HZ2 TRP 46 24.002 -10.403 0.835 355 HZ3 TRP 46 HZ3 TRP 46 20.414 -11.734 2.821 356 HH2 TRP 46 HH2 TRP 46 22.218 -12.088 1.152 357 H LEU 47 H LEU 47 20.932 -3.361 5.180 358 HA LEU 47 HA LEU 47 20.287 -2.949 8.016 359 HB2 LEU 47 1HB LEU 47 20.593 -1.043 6.456 360 HB3 LEU 47 2HB LEU 47 19.275 -1.646 5.459 361 HG LEU 47 HG LEU 47 17.699 -1.205 7.289 362 HD11 LEU 47 1HD1 LEU 47 19.043 -1.463 9.258 363 HD12 LEU 47 2HD1 LEU 47 18.447 0.211 9.218 364 HD13 LEU 47 3HD1 LEU 47 20.126 -0.140 8.756 365 HD21 LEU 47 1HD2 LEU 47 18.144 0.506 5.575 366 HD22 LEU 47 2HD2 LEU 47 19.463 1.173 6.577 367 HD23 LEU 47 3HD2 LEU 47 17.768 1.251 7.147 368 H CYS 48 H CYS 48 18.687 -3.974 9.009 369 HA CYS 48 HA CYS 48 16.322 -4.727 7.369 370 HB2 CYS 48 1HB CYS 48 17.506 -6.515 9.510 371 HB3 CYS 48 2HB CYS 48 16.209 -6.891 8.382 372 HG CYS 48 HG CYS 48 19.394 -6.285 7.727 373 H SER 49 H SER 49 14.477 -5.414 8.821 374 HA SER 49 HA SER 49 14.522 -3.911 11.401 375 HB2 SER 49 1HB SER 49 12.885 -2.570 10.743 376 HB3 SER 49 2HB SER 49 13.084 -3.157 9.106 377 HG SER 49 HG SER 49 10.925 -3.365 9.909 378 H LEU 50 H LEU 50 13.814 -5.048 13.060 379 HA LEU 50 HA LEU 50 12.194 -7.509 12.647 380 HB2 LEU 50 1HB LEU 50 14.600 -8.174 12.543 381 HB3 LEU 50 2HB LEU 50 14.867 -7.366 14.087 382 HG LEU 50 HG LEU 50 12.777 -9.171 14.578 383 HD11 LEU 50 1HD1 LEU 50 13.339 -10.220 12.429 384 HD12 LEU 50 2HD1 LEU 50 13.550 -11.288 13.837 385 HD13 LEU 50 3HD1 LEU 50 14.968 -10.541 13.065 386 HD21 LEU 50 1HD2 LEU 50 14.559 -8.536 16.135 387 HD22 LEU 50 2HD2 LEU 50 15.755 -9.389 15.129 388 HD23 LEU 50 3HD2 LEU 50 14.470 -10.293 15.963 389 H HIS 51 H HIS 51 10.721 -7.659 14.262 390 HA HIS 51 HA HIS 51 9.506 -7.121 16.135 391 HB2 HIS 51 1HB HIS 51 12.236 -6.765 17.421 392 HB3 HIS 51 2HB HIS 51 10.708 -6.975 18.278 393 HD1 HIS 51 HD1 HIS 51 13.005 -9.013 18.728 394 HD2 HIS 51 HD2 HIS 51 9.991 -9.489 15.898 395 HE1 HIS 51 HE1 HIS 51 12.818 -11.484 18.250 396 H GLY 52 H GLY 52 10.220 -4.877 14.313 397 HA2 GLY 52 1HA GLY 52 9.570 -2.638 14.327 398 HA3 GLY 52 2HA GLY 52 9.309 -2.733 16.072 399 H ARG 53 H ARG 53 12.437 -3.876 15.250 400 HA ARG 53 HA ARG 53 13.611 -1.200 15.929 401 HB2 ARG 53 1HB ARG 53 13.744 -3.435 17.440 402 HB3 ARG 53 2HB ARG 53 15.070 -3.796 16.353 403 HG2 ARG 53 1HG ARG 53 14.902 -1.189 17.932 404 HG3 ARG 53 2HG ARG 53 15.633 -2.667 18.570 405 HD2 ARG 53 1HD ARG 53 17.068 -2.627 16.393 406 HD3 ARG 53 2HD ARG 53 16.586 -0.920 16.315 407 HE ARG 53 HE ARG 53 17.506 -1.493 18.940 408 HH11 ARG 53 1HH1 ARG 53 18.882 -1.162 15.685 409 HH12 ARG 53 2HH1 ARG 53 20.464 -0.768 16.326 410 HH21 ARG 53 1HH2 ARG 53 19.540 -0.961 19.630 411 HH22 ARG 53 2HH2 ARG 53 20.817 -0.617 18.477 412 H GLN 54 H GLN 54 15.144 -0.483 14.517 413 HA GLN 54 HA GLN 54 15.607 -2.158 12.086 414 HB2 GLN 54 1HB GLN 54 15.076 0.648 12.583 415 HB3 GLN 54 2HB GLN 54 16.625 0.454 11.749 416 HG2 GLN 54 1HG GLN 54 15.545 -0.802 9.994 417 HG3 GLN 54 2HG GLN 54 14.015 -0.781 10.886 418 HE21 GLN 54 1HE2 GLN 54 15.258 2.821 9.320 419 HE22 GLN 54 2HE2 GLN 54 16.428 1.766 10.072 420 H GLY 55 H GLY 55 17.721 -2.572 11.366 421 HA2 GLY 55 1HA GLY 55 20.007 -1.271 12.433 422 HA3 GLY 55 2HA GLY 55 19.716 -2.727 13.390 423 H ILE 56 H ILE 56 22.072 -2.589 12.134 424 HA ILE 56 HA ILE 56 21.877 -3.827 9.476 425 HB ILE 56 HB ILE 56 24.346 -3.744 9.428 426 HG12 ILE 56 1HG1 ILE 56 24.082 -2.766 12.318 427 HG13 ILE 56 2HG1 ILE 56 24.718 -4.327 11.821 428 HG21 ILE 56 1HG2 ILE 56 23.323 -1.123 10.663 429 HG22 ILE 56 2HG2 ILE 56 24.574 -1.345 9.421 430 HG23 ILE 56 3HG2 ILE 56 22.875 -1.666 9.023 431 HD11 ILE 56 1HD1 ILE 56 26.613 -3.006 12.316 432 HD12 ILE 56 2HD1 ILE 56 26.517 -3.027 10.542 433 HD13 ILE 56 3HD1 ILE 56 25.969 -1.595 11.438 434 H VAL 57 H VAL 57 22.799 -5.830 8.957 435 HA VAL 57 HA VAL 57 23.115 -7.785 11.185 436 HB VAL 57 HB VAL 57 21.326 -8.127 8.759 437 HG11 VAL 57 1HG1 VAL 57 22.025 -10.023 10.928 438 HG12 VAL 57 2HG1 VAL 57 20.642 -10.254 9.835 439 HG13 VAL 57 3HG1 VAL 57 22.292 -10.214 9.183 440 HG21 VAL 57 1HG2 VAL 57 20.182 -6.719 10.339 441 HG22 VAL 57 2HG2 VAL 57 19.467 -8.341 10.426 442 HG23 VAL 57 3HG2 VAL 57 20.623 -7.810 11.671 443 HA PRO 58 HA PRO 58 26.326 -8.778 8.247 444 HB2 PRO 58 1HB PRO 58 27.084 -11.278 9.086 445 HB3 PRO 58 2HB PRO 58 27.496 -9.780 9.988 446 HG2 PRO 58 1HG PRO 58 25.252 -11.715 10.488 447 HG3 PRO 58 2HG PRO 58 26.420 -11.027 11.656 448 HD2 PRO 58 1HD PRO 58 23.927 -10.026 11.332 449 HD3 PRO 58 2HD PRO 58 25.316 -8.972 11.708 450 H GLY 59 H GLY 59 25.829 -9.273 6.156 451 HA2 GLY 59 1HA GLY 59 23.581 -10.775 5.392 452 HA3 GLY 59 2HA GLY 59 24.925 -10.331 4.336 453 H ASN 60 H ASN 60 26.802 -11.850 6.144 454 HA ASN 60 HA ASN 60 26.789 -14.356 4.776 455 HB2 ASN 60 1HB ASN 60 28.644 -12.998 6.130 456 HB3 ASN 60 2HB ASN 60 28.125 -14.040 7.451 457 HD21 ASN 60 1HD2 ASN 60 30.948 -15.681 5.750 458 HD22 ASN 60 2HD2 ASN 60 30.673 -14.223 6.676 459 H ARG 61 H ARG 61 24.907 -13.289 7.482 460 HA ARG 61 HA ARG 61 24.343 -16.127 8.210 461 HB2 ARG 61 1HB ARG 61 23.965 -13.596 9.849 462 HB3 ARG 61 2HB ARG 61 23.547 -15.234 10.367 463 HG2 ARG 61 1HG ARG 61 25.964 -15.871 10.100 464 HG3 ARG 61 2HG ARG 61 26.330 -14.152 9.822 465 HD2 ARG 61 1HD ARG 61 25.351 -13.605 12.029 466 HD3 ARG 61 2HD ARG 61 24.988 -15.319 12.278 467 HE ARG 61 HE ARG 61 27.774 -15.018 11.697 468 HH11 ARG 61 1HH1 ARG 61 25.503 -14.453 14.354 469 HH12 ARG 61 2HH1 ARG 61 26.760 -14.572 15.554 470 HH21 ARG 61 1HH2 ARG 61 29.282 -15.191 13.270 471 HH22 ARG 61 2HH2 ARG 61 28.862 -14.978 14.958 472 H LEU 62 H LEU 62 23.160 -14.014 6.119 473 HA LEU 62 HA LEU 62 20.332 -14.619 6.873 474 HB2 LEU 62 1HB LEU 62 21.637 -12.098 5.985 475 HB3 LEU 62 2HB LEU 62 20.089 -12.484 5.254 476 HG LEU 62 HG LEU 62 20.622 -12.187 8.212 477 HD11 LEU 62 1HD1 LEU 62 20.720 -10.111 6.931 478 HD12 LEU 62 2HD1 LEU 62 19.267 -10.159 7.948 479 HD13 LEU 62 3HD1 LEU 62 19.132 -10.472 6.197 480 HD21 LEU 62 1HD2 LEU 62 18.089 -12.161 8.344 481 HD22 LEU 62 2HD2 LEU 62 18.844 -13.725 8.059 482 HD23 LEU 62 3HD2 LEU 62 18.093 -12.858 6.710 483 H LYS 63 H LYS 63 18.851 -14.996 5.343 484 HA LYS 63 HA LYS 63 19.935 -15.409 2.573 485 HB2 LYS 63 1HB LYS 63 19.683 -17.566 3.712 486 HB3 LYS 63 2HB LYS 63 18.010 -17.200 4.099 487 HG2 LYS 63 1HG LYS 63 17.369 -17.309 1.777 488 HG3 LYS 63 2HG LYS 63 19.059 -17.393 1.255 489 HD2 LYS 63 1HD LYS 63 17.763 -19.506 3.013 490 HD3 LYS 63 2HD LYS 63 17.767 -19.594 1.239 491 HE2 LYS 63 1HE LYS 63 20.237 -19.485 1.244 492 HE3 LYS 63 2HE LYS 63 20.230 -19.401 3.000 493 HZ1 LYS 63 1HZ LYS 63 19.248 -21.621 3.051 494 HZ2 LYS 63 2HZ LYS 63 20.680 -21.637 2.236 495 HZ3 LYS 63 3HZ LYS 63 19.258 -21.692 1.398 496 H ILE 64 H ILE 64 18.969 -14.156 1.191 497 HA ILE 64 HA ILE 64 16.508 -12.789 1.793 498 HB ILE 64 HB ILE 64 17.878 -13.214 -0.899 499 HG12 ILE 64 1HG1 ILE 64 19.423 -12.162 0.724 500 HG13 ILE 64 2HG1 ILE 64 18.977 -11.091 -0.593 501 HG21 ILE 64 1HG2 ILE 64 16.733 -11.001 -1.423 502 HG22 ILE 64 2HG2 ILE 64 15.660 -12.416 -1.278 503 HG23 ILE 64 3HG2 ILE 64 15.790 -11.260 0.065 504 HD11 ILE 64 1HD1 ILE 64 17.353 -9.920 0.938 505 HD12 ILE 64 2HD1 ILE 64 17.925 -10.962 2.260 506 HD13 ILE 64 3HD1 ILE 64 19.031 -9.817 1.477 507 H LEU 65 H LEU 65 14.480 -13.490 1.569 508 HA LEU 65 HA LEU 65 14.102 -16.149 0.305 509 HB2 LEU 65 1HB LEU 65 12.196 -14.461 1.954 510 HB3 LEU 65 2HB LEU 65 11.935 -16.120 1.424 511 HG LEU 65 HG LEU 65 14.014 -15.154 3.412 512 HD11 LEU 65 1HD1 LEU 65 11.689 -15.150 4.209 513 HD12 LEU 65 2HD1 LEU 65 12.646 -16.393 5.019 514 HD13 LEU 65 3HD1 LEU 65 11.513 -16.852 3.738 515 HD21 LEU 65 1HD2 LEU 65 13.497 -17.983 2.366 516 HD22 LEU 65 2HD2 LEU 65 14.429 -17.615 3.837 517 HD23 LEU 65 3HD2 LEU 65 15.024 -17.060 2.272 518 H VAL 66 H VAL 66 14.508 -15.156 -1.819 519 HA VAL 66 HA VAL 66 12.688 -13.312 -3.019 520 HB VAL 66 HB VAL 66 14.240 -15.577 -4.397 521 HG11 VAL 66 1HG1 VAL 66 13.226 -12.896 -5.467 522 HG12 VAL 66 2HG1 VAL 66 14.205 -14.071 -6.379 523 HG13 VAL 66 3HG1 VAL 66 12.562 -14.501 -5.870 524 HG21 VAL 66 1HG2 VAL 66 16.018 -13.837 -4.765 525 HG22 VAL 66 2HG2 VAL 66 15.127 -12.737 -3.699 526 HG23 VAL 66 3HG2 VAL 66 15.809 -14.247 -3.062 527 H GLY 67 H GLY 67 12.522 -16.796 -2.472 528 HA2 GLY 67 1HA GLY 67 10.595 -18.088 -2.392 529 HA3 GLY 67 2HA GLY 67 9.665 -16.746 -3.070 530 H MET 68 H MET 68 10.757 -19.798 -3.607 531 HA MET 68 HA MET 68 10.780 -21.239 -5.328 532 HB2 MET 68 1HB MET 68 9.202 -19.158 -6.847 533 HB3 MET 68 2HB MET 68 9.335 -20.876 -7.229 534 HG2 MET 68 1HG MET 68 8.283 -21.434 -5.065 535 HG3 MET 68 2HG MET 68 8.088 -19.708 -4.718 536 HE1 MET 68 1HE MET 68 7.151 -18.259 -7.299 537 HE2 MET 68 2HE MET 68 5.390 -18.510 -7.246 538 HE3 MET 68 3HE MET 68 6.274 -18.136 -5.753 539 H TYR 69 H TYR 69 11.521 -18.025 -6.795 540 HA TYR 69 HA TYR 69 12.845 -18.932 -9.093 541 HB2 TYR 69 1HB TYR 69 13.390 -16.541 -7.297 542 HB3 TYR 69 2HB TYR 69 14.194 -16.805 -8.847 543 HD1 TYR 69 HD1 TYR 69 11.137 -15.635 -7.204 544 HD2 TYR 69 HD2 TYR 69 12.861 -16.769 -10.979 545 HE1 TYR 69 HE1 TYR 69 9.287 -14.476 -8.402 546 HE2 TYR 69 HE2 TYR 69 11.003 -15.613 -12.165 547 HH TYR 69 HH TYR 69 8.403 -13.891 -10.440 548 H ASP 70 H ASP 70 14.907 -19.486 -9.617 549 HA ASP 70 HA ASP 70 16.940 -20.445 -9.386 550 HB2 ASP 70 1HB ASP 70 17.503 -18.145 -8.757 551 HB3 ASP 70 2HB ASP 70 17.263 -18.563 -7.058 552 H LYS 71 H LYS 71 15.604 -22.332 -8.784 553 HA LYS 71 HA LYS 71 15.558 -24.366 -7.750 554 HB2 LYS 71 1HB LYS 71 18.281 -23.495 -6.731 555 HB3 LYS 71 2HB LYS 71 17.730 -25.158 -6.914 556 HG2 LYS 71 1HG LYS 71 17.984 -23.265 -9.282 557 HG3 LYS 71 2HG LYS 71 19.323 -24.252 -8.715 558 HD2 LYS 71 1HD LYS 71 16.649 -25.499 -9.429 559 HD3 LYS 71 2HD LYS 71 17.866 -25.146 -10.669 560 HE2 LYS 71 1HE LYS 71 18.372 -26.869 -8.208 561 HE3 LYS 71 2HE LYS 71 17.971 -27.499 -9.816 562 HZ1 LYS 71 1HZ LYS 71 19.980 -26.452 -10.668 563 HZ2 LYS 71 2HZ LYS 71 20.358 -27.484 -9.439 564 HZ3 LYS 71 3HZ LYS 71 20.357 -25.849 -9.186 565 H LYS 72 H LYS 72 14.428 -22.203 -5.992 566 HA LYS 72 HA LYS 72 15.250 -23.129 -3.307 567 HB2 LYS 72 1HB LYS 72 13.211 -21.099 -4.260 568 HB3 LYS 72 2HB LYS 72 13.455 -21.503 -2.550 569 HG2 LYS 72 1HG LYS 72 15.773 -20.790 -2.652 570 HG3 LYS 72 2HG LYS 72 15.664 -20.559 -4.398 571 HD2 LYS 72 1HD LYS 72 14.035 -18.731 -4.075 572 HD3 LYS 72 2HD LYS 72 14.212 -18.910 -2.309 573 HE2 LYS 72 1HE LYS 72 15.661 -17.093 -3.198 574 HE3 LYS 72 2HE LYS 72 16.617 -18.386 -2.466 575 HZ1 LYS 72 1HZ LYS 72 17.512 -17.615 -4.621 576 HZ2 LYS 72 2HZ LYS 72 16.144 -18.148 -5.394 577 HZ3 LYS 72 3HZ LYS 72 17.144 -19.220 -4.643 578 HA PRO 73 HA PRO 73 12.493 -26.412 -3.414 579 HB2 PRO 73 1HB PRO 73 12.018 -26.969 -0.779 580 HB3 PRO 73 2HB PRO 73 13.618 -27.209 -1.546 581 HG2 PRO 73 1HG PRO 73 12.629 -24.881 0.074 582 HG3 PRO 73 2HG PRO 73 14.142 -25.818 0.264 583 HD2 PRO 73 1HD PRO 73 14.086 -23.452 -1.053 584 HD3 PRO 73 2HD PRO 73 15.132 -24.808 -1.619 585 H ALA 74 H ALA 74 10.382 -27.065 -3.419 586 HA ALA 74 HA ALA 74 8.356 -24.994 -3.077 587 HB1 ALA 74 1HB ALA 74 8.105 -27.962 -3.795 588 HB2 ALA 74 2HB ALA 74 6.831 -26.728 -3.953 589 HB3 ALA 74 3HB ALA 74 8.287 -26.625 -4.964 590 H GLY 75 H GLY 75 6.389 -25.379 -1.781 591 HA2 GLY 75 1HA GLY 75 5.263 -26.086 0.130 592 HA3 GLY 75 2HA GLY 75 6.498 -27.335 0.383 593 H SER 76 H SER 76 8.407 -26.818 1.468 594 HA SER 76 HA SER 76 9.587 -25.895 3.200 595 HB2 SER 76 1HB SER 76 8.827 -23.312 1.797 596 HB3 SER 76 2HB SER 76 10.164 -23.523 2.952 597 HG SER 76 HG SER 76 9.922 -24.407 0.310 598 H GLY 77 H GLY 77 6.721 -26.295 3.861 599 HA2 GLY 77 1HA GLY 77 5.770 -24.055 5.358 600 HA3 GLY 77 2HA GLY 77 5.254 -25.741 5.562 601 H GLY 78 H GLY 78 7.928 -26.751 6.217 602 HA2 GLY 78 1HA GLY 78 9.281 -25.343 8.196 603 HA3 GLY 78 2HA GLY 78 7.969 -26.190 9.043 604 H SER 79 H SER 79 10.858 -26.655 9.270 605 HA SER 79 HA SER 79 10.820 -29.542 9.121 606 HB2 SER 79 1HB SER 79 11.403 -29.037 6.738 607 HB3 SER 79 2HB SER 79 12.771 -28.051 7.294 608 HG SER 79 HG SER 79 13.252 -30.297 6.727 609 H GLY 80 H GLY 80 12.678 -30.354 10.352 610 HA2 GLY 80 1HA GLY 80 14.870 -28.809 11.158 611 HA3 GLY 80 2HA GLY 80 13.605 -28.566 12.382 612 H SER 81 H SER 81 16.155 -29.950 12.760 613 HA SER 81 HA SER 81 15.101 -32.676 13.424 614 HB2 SER 81 1HB SER 81 17.906 -32.012 12.455 615 HB3 SER 81 2HB SER 81 17.243 -33.627 12.807 616 HG SER 81 HG SER 81 17.127 -33.295 10.610 617 H GLY 82 H GLY 82 15.542 -29.997 14.841 618 HA2 GLY 82 1HA GLY 82 15.938 -30.101 17.320 619 HA3 GLY 82 2HA GLY 82 17.467 -30.920 16.935 620 H LEU 83 H LEU 83 18.147 -28.840 18.255 621 HA LEU 83 HA LEU 83 18.082 -26.359 16.720 622 HB2 LEU 83 1HB LEU 83 19.751 -27.172 19.128 623 HB3 LEU 83 2HB LEU 83 19.653 -25.545 18.464 624 HG LEU 83 HG LEU 83 17.315 -27.066 19.682 625 HD11 LEU 83 1HD1 LEU 83 17.607 -25.519 21.593 626 HD12 LEU 83 2HD1 LEU 83 19.064 -24.848 20.823 627 HD13 LEU 83 3HD1 LEU 83 19.038 -26.542 21.347 628 HD21 LEU 83 1HD2 LEU 83 17.608 -24.160 18.773 629 HD22 LEU 83 2HD2 LEU 83 16.234 -24.814 19.695 630 HD23 LEU 83 3HD2 LEU 83 16.554 -25.394 18.058 631 H THR 84 H THR 84 20.422 -28.885 17.440 632 HA THR 84 HA THR 84 22.307 -29.627 16.412 633 HB THR 84 HB THR 84 22.168 -27.628 14.150 634 HG1 THR 84 HG1 THR 84 20.051 -28.352 14.364 635 HG21 THR 84 1HG2 THR 84 24.006 -29.256 14.198 636 HG22 THR 84 2HG2 THR 84 22.888 -29.609 12.866 637 HG23 THR 84 3HG2 THR 84 22.832 -30.593 14.345 638 H ASP 85 H ASP 85 24.450 -29.243 16.715 639 HA ASP 85 HA ASP 85 25.243 -26.610 17.751 640 HB2 ASP 85 1HB ASP 85 26.729 -29.230 17.272 641 HB3 ASP 85 2HB ASP 85 27.507 -27.763 17.891 642 H GLU 86 H GLU 86 25.936 -25.030 16.400 643 HA GLU 86 HA GLU 86 27.170 -25.742 13.805 644 HB2 GLU 86 1HB GLU 86 24.674 -25.649 13.536 645 HB3 GLU 86 2HB GLU 86 24.714 -23.983 14.119 646 HG2 GLU 86 1HG GLU 86 26.126 -23.383 12.156 647 HG3 GLU 86 2HG GLU 86 26.005 -25.062 11.591 648 H LEU 87 H LEU 87 28.982 -24.531 13.727 649 HA LEU 87 HA LEU 87 29.135 -22.057 15.311 650 HB2 LEU 87 1HB LEU 87 31.176 -23.412 13.525 651 HB3 LEU 87 2HB LEU 87 31.457 -21.953 14.474 652 HG LEU 87 HG LEU 87 30.759 -24.671 15.648 653 HD11 LEU 87 1HD1 LEU 87 32.972 -24.652 14.550 654 HD12 LEU 87 2HD1 LEU 87 33.123 -24.775 16.306 655 HD13 LEU 87 3HD1 LEU 87 33.431 -23.224 15.495 656 HD21 LEU 87 1HD2 LEU 87 30.077 -22.875 17.157 657 HD22 LEU 87 2HD2 LEU 87 31.649 -22.056 16.958 658 HD23 LEU 87 3HD2 LEU 87 31.545 -23.630 17.788 659 H ALA 88 H ALA 88 28.283 -20.316 14.542 660 HA ALA 88 HA ALA 88 27.591 -19.940 11.804 661 HB1 ALA 88 1HB ALA 88 26.433 -18.919 13.769 662 HB2 ALA 88 2HB ALA 88 27.842 -17.869 14.024 663 HB3 ALA 88 3HB ALA 88 26.876 -17.723 12.535 664 HA PRO 89 HA PRO 89 31.376 -18.236 10.308 665 HB2 PRO 89 1HB PRO 89 30.566 -16.648 8.245 666 HB3 PRO 89 2HB PRO 89 30.484 -18.434 8.161 667 HG2 PRO 89 1HG PRO 89 28.315 -16.472 8.897 668 HG3 PRO 89 2HG PRO 89 28.270 -17.798 7.690 669 HD2 PRO 89 1HD PRO 89 27.275 -18.123 10.169 670 HD3 PRO 89 2HD PRO 89 28.163 -19.456 9.342 671 HA PRO 90 HA PRO 90 31.789 -14.447 12.381 672 HB2 PRO 90 1HB PRO 90 33.851 -13.154 11.152 673 HB3 PRO 90 2HB PRO 90 34.089 -14.654 12.106 674 HG2 PRO 90 1HG PRO 90 33.792 -14.328 9.136 675 HG3 PRO 90 2HG PRO 90 35.030 -15.240 10.058 676 HD2 PRO 90 1HD PRO 90 32.867 -16.446 8.970 677 HD3 PRO 90 2HD PRO 90 33.539 -16.991 10.538 678 H LYS 91 H LYS 91 31.296 -12.230 12.398 679 HA LYS 91 HA LYS 91 29.702 -11.295 10.113 680 HB2 LYS 91 1HB LYS 91 29.359 -9.281 11.627 681 HB3 LYS 91 2HB LYS 91 28.785 -10.821 12.271 682 HG2 LYS 91 1HG LYS 91 30.788 -10.992 13.720 683 HG3 LYS 91 2HG LYS 91 31.407 -9.471 13.059 684 HD2 LYS 91 1HD LYS 91 30.399 -9.009 15.208 685 HD3 LYS 91 2HD LYS 91 29.355 -8.311 13.961 686 HE2 LYS 91 1HE LYS 91 27.796 -10.213 14.159 687 HE3 LYS 91 2HE LYS 91 28.896 -11.007 15.312 688 HZ1 LYS 91 1HZ LYS 91 27.578 -8.398 15.778 689 HZ2 LYS 91 2HZ LYS 91 28.536 -9.233 16.858 690 HZ3 LYS 91 3HZ LYS 91 27.067 -9.832 16.398 691 HA PRO 92 HA PRO 92 33.219 -9.183 8.448 692 HB2 PRO 92 1HB PRO 92 32.083 -7.020 7.165 693 HB3 PRO 92 2HB PRO 92 31.979 -8.693 6.545 694 HG2 PRO 92 1HG PRO 92 29.989 -7.131 8.082 695 HG3 PRO 92 2HG PRO 92 29.758 -8.154 6.646 696 HD2 PRO 92 1HD PRO 92 29.193 -8.951 9.182 697 HD3 PRO 92 2HD PRO 92 29.748 -10.086 7.907 698 HA PRO 93 HA PRO 93 34.212 -6.129 11.432 699 HB2 PRO 93 1HB PRO 93 36.041 -4.492 10.248 700 HB3 PRO 93 2HB PRO 93 36.381 -6.220 10.575 701 HG2 PRO 93 1HG PRO 93 35.400 -4.950 8.030 702 HG3 PRO 93 2HG PRO 93 36.820 -6.021 8.284 703 HD2 PRO 93 1HD PRO 93 34.462 -7.000 7.420 704 HD3 PRO 93 2HD PRO 93 35.476 -7.924 8.591 705 H LEU 94 H LEU 94 34.440 -3.668 11.812 706 HA LEU 94 HA LEU 94 32.458 -2.129 10.231 707 HB2 LEU 94 1HB LEU 94 32.492 -2.720 13.196 708 HB3 LEU 94 2HB LEU 94 31.853 -1.194 12.612 709 HG LEU 94 HG LEU 94 30.805 -3.947 11.858 710 HD11 LEU 94 1HD1 LEU 94 29.640 -1.723 13.557 711 HD12 LEU 94 2HD1 LEU 94 30.359 -3.226 14.179 712 HD13 LEU 94 3HD1 LEU 94 28.880 -3.293 13.198 713 HD21 LEU 94 1HD2 LEU 94 28.906 -2.691 10.862 714 HD22 LEU 94 2HD2 LEU 94 30.420 -2.366 10.024 715 HD23 LEU 94 3HD2 LEU 94 29.762 -1.168 11.163 716 HA PRO 95 HA PRO 95 35.540 1.024 10.625 717 HB2 PRO 95 1HB PRO 95 34.077 3.326 10.582 718 HB3 PRO 95 2HB PRO 95 34.129 2.229 9.163 719 HG2 PRO 95 1HG PRO 95 32.086 2.374 11.360 720 HG3 PRO 95 2HG PRO 95 31.838 2.450 9.589 721 HD2 PRO 95 1HD PRO 95 31.530 0.151 10.968 722 HD3 PRO 95 2HD PRO 95 32.254 0.151 9.330 723 H GLU 96 H GLU 96 35.786 3.289 11.976 724 HA GLU 96 HA GLU 96 36.416 4.140 13.904 725 HB2 GLU 96 1HB GLU 96 33.643 3.773 13.873 726 HB3 GLU 96 2HB GLU 96 34.175 3.367 15.484 727 HG2 GLU 96 1HG GLU 96 33.671 5.688 15.446 728 HG3 GLU 96 2HG GLU 96 35.428 5.530 15.559 729 H GLY 97 H GLY 97 36.777 1.092 13.522 730 HA2 GLY 97 1HA GLY 97 37.424 0.357 16.313 731 HA3 GLY 97 2HA GLY 97 37.625 -0.657 14.868 732 H GLU 98 H GLU 98 38.681 2.538 14.435 733 HA GLU 98 HA GLU 98 41.398 1.686 14.005 734 HB2 GLU 98 1HB GLU 98 39.999 3.592 12.873 735 HB3 GLU 98 2HB GLU 98 40.505 4.563 14.253 736 HG2 GLU 98 1HG GLU 98 42.137 5.080 12.699 737 HG3 GLU 98 2HG GLU 98 42.926 3.767 13.589 738 H VAL 99 H VAL 99 42.884 1.408 15.528 739 HA VAL 99 HA VAL 99 42.410 2.089 18.270 740 HB VAL 99 HB VAL 99 45.050 1.263 16.968 741 HG11 VAL 99 1HG1 VAL 99 45.344 2.054 19.311 742 HG12 VAL 99 2HG1 VAL 99 44.041 0.997 19.869 743 HG13 VAL 99 3HG1 VAL 99 45.550 0.299 19.254 744 HG21 VAL 99 1HG2 VAL 99 44.324 -1.106 17.651 745 HG22 VAL 99 2HG2 VAL 99 42.714 -0.464 18.016 746 HG23 VAL 99 3HG2 VAL 99 43.331 -0.421 16.359 747 HXT VAL 99 H02 VAL 99 44.409 5.082 16.934 Start of MODEL 31 1 H2 GLY 1 2H0 GLY 1 1.391 -2.417 -1.069 2 H GLY 1 1H0 GLY 1 2.447 -1.312 -1.658 3 HA2 GLY 1 1HA GLY 1 1.853 -0.593 0.535 4 HA3 GLY 1 2HA GLY 1 2.231 -2.215 1.171 5 H SER 2 H SER 2 4.466 -2.057 -0.906 6 HA SER 2 HA SER 2 6.545 -1.223 0.981 7 HB2 SER 2 1HB SER 2 6.901 -3.118 -0.577 8 HB3 SER 2 2HB SER 2 6.745 -2.009 -1.956 9 HG SER 2 HG SER 2 8.931 -2.348 -1.417 10 H MET 3 H MET 3 7.426 0.740 1.166 11 HA MET 3 HA MET 3 7.409 2.603 -1.132 12 HB2 MET 3 1HB MET 3 5.349 3.134 0.130 13 HB3 MET 3 2HB MET 3 6.282 3.248 1.627 14 HG2 MET 3 1HG MET 3 5.752 5.463 0.725 15 HG3 MET 3 2HG MET 3 7.501 5.181 0.754 16 HE1 MET 3 1HE MET 3 7.000 7.389 -2.490 17 HE2 MET 3 2HE MET 3 6.068 7.511 -0.979 18 HE3 MET 3 3HE MET 3 7.829 7.256 -0.921 19 H LYS 4 H LYS 4 9.396 3.332 -1.298 20 HA LYS 4 HA LYS 4 11.611 3.806 -0.895 21 HB2 LYS 4 1HB LYS 4 10.725 5.253 0.977 22 HB3 LYS 4 2HB LYS 4 10.948 3.888 2.072 23 HG2 LYS 4 1HG LYS 4 13.375 3.918 1.633 24 HG3 LYS 4 2HG LYS 4 13.163 5.304 0.546 25 HD2 LYS 4 1HD LYS 4 12.360 6.671 2.375 26 HD3 LYS 4 2HD LYS 4 12.292 5.266 3.453 27 HE2 LYS 4 1HE LYS 4 14.267 6.556 4.005 28 HE3 LYS 4 2HE LYS 4 14.758 5.017 3.284 29 HZ1 LYS 4 1HZ LYS 4 15.156 6.179 1.204 30 HZ2 LYS 4 2HZ LYS 4 16.050 6.846 2.417 31 HZ3 LYS 4 3HZ LYS 4 14.698 7.618 1.872 32 H TYR 5 H TYR 5 13.586 2.679 -0.144 33 HA TYR 5 HA TYR 5 14.834 0.834 0.182 34 HB2 TYR 5 1HB TYR 5 12.668 0.442 2.257 35 HB3 TYR 5 2HB TYR 5 14.026 -0.634 2.103 36 HD1 TYR 5 HD1 TYR 5 12.950 1.873 4.100 37 HD2 TYR 5 HD2 TYR 5 16.394 0.914 1.695 38 HE1 TYR 5 HE1 TYR 5 14.384 3.332 5.539 39 HE2 TYR 5 HE2 TYR 5 17.796 2.382 3.123 40 HH TYR 5 HH TYR 5 17.909 3.651 4.984 41 H LEU 6 H LEU 6 14.746 -1.691 0.555 42 HA LEU 6 HA LEU 6 13.582 -2.712 -1.927 43 HB2 LEU 6 1HB LEU 6 15.108 -4.125 0.289 44 HB3 LEU 6 2HB LEU 6 14.762 -4.770 -1.304 45 HG LEU 6 HG LEU 6 16.609 -2.443 -0.756 46 HD11 LEU 6 1HD1 LEU 6 18.411 -4.056 -1.254 47 HD12 LEU 6 2HD1 LEU 6 17.210 -5.355 -1.442 48 HD13 LEU 6 3HD1 LEU 6 17.457 -4.590 0.145 49 HD21 LEU 6 1HD2 LEU 6 16.062 -4.003 -3.305 50 HD22 LEU 6 2HD2 LEU 6 17.344 -2.786 -3.085 51 HD23 LEU 6 3HD2 LEU 6 15.641 -2.304 -2.991 52 H ASN 7 H ASN 7 13.123 -3.188 1.565 53 HA ASN 7 HA ASN 7 11.626 -4.365 2.811 54 HB2 ASN 7 1HB ASN 7 9.844 -3.328 0.617 55 HB3 ASN 7 2HB ASN 7 9.216 -4.201 2.018 56 HD21 ASN 7 1HD2 ASN 7 9.839 -0.346 2.355 57 HD22 ASN 7 2HD2 ASN 7 9.649 -1.220 0.856 58 H VAL 8 H VAL 8 13.087 -6.216 1.742 59 HA VAL 8 HA VAL 8 11.194 -8.248 0.626 60 HB VAL 8 HB VAL 8 12.875 -9.117 -0.662 61 HG11 VAL 8 1HG1 VAL 8 14.380 -6.569 0.024 62 HG12 VAL 8 2HG1 VAL 8 14.493 -7.527 -1.470 63 HG13 VAL 8 3HG1 VAL 8 12.995 -6.648 -1.106 64 HG21 VAL 8 1HG2 VAL 8 14.743 -8.604 1.648 65 HG22 VAL 8 2HG2 VAL 8 14.176 -10.151 1.007 66 HG23 VAL 8 3HG2 VAL 8 15.319 -9.167 0.076 67 H LEU 9 H LEU 9 11.508 -10.475 1.598 68 HA LEU 9 HA LEU 9 12.072 -10.161 4.509 69 HB2 LEU 9 1HB LEU 9 10.690 -12.388 2.983 70 HB3 LEU 9 2HB LEU 9 10.912 -12.329 4.727 71 HG LEU 9 HG LEU 9 9.244 -10.382 3.095 72 HD11 LEU 9 1HD1 LEU 9 8.430 -12.617 4.994 73 HD12 LEU 9 2HD1 LEU 9 8.285 -12.646 3.218 74 HD13 LEU 9 3HD1 LEU 9 7.333 -11.487 4.166 75 HD21 LEU 9 1HD2 LEU 9 8.411 -9.618 5.323 76 HD22 LEU 9 2HD2 LEU 9 10.125 -9.254 5.072 77 HD23 LEU 9 3HD2 LEU 9 9.652 -10.622 6.104 78 H ALA 10 H ALA 10 13.613 -11.382 5.564 79 HA ALA 10 HA ALA 10 15.141 -13.341 3.898 80 HB1 ALA 10 1HB ALA 10 16.344 -11.192 3.876 81 HB2 ALA 10 2HB ALA 10 16.379 -11.190 5.651 82 HB3 ALA 10 3HB ALA 10 17.251 -12.446 4.736 83 H LYS 11 H LYS 11 15.968 -15.100 5.028 84 HA LYS 11 HA LYS 11 14.972 -15.369 7.835 85 HB2 LYS 11 1HB LYS 11 14.143 -17.090 6.371 86 HB3 LYS 11 2HB LYS 11 15.749 -17.415 5.720 87 HG2 LYS 11 1HG LYS 11 16.471 -18.514 7.661 88 HG3 LYS 11 2HG LYS 11 15.226 -17.772 8.676 89 HD2 LYS 11 1HD LYS 11 14.536 -19.723 6.473 90 HD3 LYS 11 2HD LYS 11 14.969 -20.247 8.116 91 HE2 LYS 11 1HE LYS 11 13.133 -18.174 8.515 92 HE3 LYS 11 2HE LYS 11 12.474 -19.061 7.133 93 HZ1 LYS 11 1HZ LYS 11 13.164 -20.206 9.781 94 HZ2 LYS 11 2HZ LYS 11 12.579 -21.082 8.507 95 HZ3 LYS 11 3HZ LYS 11 11.645 -19.923 9.224 96 H ALA 12 H ALA 12 16.322 -15.707 9.479 97 HA ALA 12 HA ALA 12 19.194 -15.426 9.157 98 HB1 ALA 12 1HB ALA 12 17.437 -16.253 11.497 99 HB2 ALA 12 2HB ALA 12 19.159 -15.854 11.595 100 HB3 ALA 12 3HB ALA 12 17.995 -14.610 11.120 101 H LEU 13 H LEU 13 20.661 -17.009 8.663 102 HA LEU 13 HA LEU 13 19.787 -19.840 8.651 103 HB2 LEU 13 1HB LEU 13 22.456 -18.521 8.076 104 HB3 LEU 13 2HB LEU 13 22.151 -20.234 7.957 105 HG LEU 13 HG LEU 13 22.099 -19.738 5.811 106 HD11 LEU 13 1HD1 LEU 13 19.901 -19.597 4.878 107 HD12 LEU 13 2HD1 LEU 13 19.247 -18.872 6.367 108 HD13 LEU 13 3HD1 LEU 13 19.811 -20.566 6.361 109 HD21 LEU 13 1HD2 LEU 13 22.620 -17.367 6.234 110 HD22 LEU 13 2HD2 LEU 13 20.868 -17.047 6.304 111 HD23 LEU 13 3HD2 LEU 13 21.622 -17.647 4.808 112 H TYR 14 H TYR 14 21.432 -17.596 10.684 113 HA TYR 14 HA TYR 14 22.069 -19.735 12.644 114 HB2 TYR 14 1HB TYR 14 23.976 -17.500 11.852 115 HB3 TYR 14 2HB TYR 14 24.256 -18.762 13.053 116 HD1 TYR 14 HD1 TYR 14 24.253 -17.929 9.474 117 HD2 TYR 14 HD2 TYR 14 24.756 -21.108 12.326 118 HE1 TYR 14 HE1 TYR 14 25.275 -19.350 7.705 119 HE2 TYR 14 HE2 TYR 14 25.812 -22.509 10.559 120 HH TYR 14 HH TYR 14 26.273 -21.343 7.215 121 H ASP 15 H ASP 15 22.540 -18.483 14.809 122 HA ASP 15 HA ASP 15 20.582 -16.298 15.022 123 HB2 ASP 15 1HB ASP 15 21.071 -16.394 17.384 124 HB3 ASP 15 2HB ASP 15 20.855 -18.048 16.801 125 H ASN 16 H ASN 16 21.396 -14.313 16.327 126 HA ASN 16 HA ASN 16 24.208 -13.644 15.729 127 HB2 ASN 16 1HB ASN 16 22.756 -12.871 13.769 128 HB3 ASN 16 2HB ASN 16 22.000 -11.745 14.899 129 HD21 ASN 16 1HD2 ASN 16 24.528 -9.396 14.429 130 HD22 ASN 16 2HD2 ASN 16 22.831 -9.757 14.717 131 H VAL 17 H VAL 17 25.081 -12.395 17.259 132 HA VAL 17 HA VAL 17 23.269 -11.322 19.363 133 HB VAL 17 HB VAL 17 26.230 -12.090 19.518 134 HG11 VAL 17 1HG1 VAL 17 25.713 -10.177 20.985 135 HG12 VAL 17 2HG1 VAL 17 24.322 -11.052 21.671 136 HG13 VAL 17 3HG1 VAL 17 25.978 -11.637 21.956 137 HG21 VAL 17 1HG2 VAL 17 24.781 -14.088 19.439 138 HG22 VAL 17 2HG2 VAL 17 25.444 -13.877 21.072 139 HG23 VAL 17 3HG2 VAL 17 23.758 -13.421 20.729 140 H ALA 18 H ALA 18 23.113 -9.209 19.342 141 HA ALA 18 HA ALA 18 24.605 -7.639 17.422 142 HB1 ALA 18 1HB ALA 18 23.239 -5.769 18.345 143 HB2 ALA 18 2HB ALA 18 22.253 -7.159 17.836 144 HB3 ALA 18 3HB ALA 18 22.584 -6.881 19.566 145 H GLU 19 H GLU 19 26.577 -6.897 17.786 146 HA GLU 19 HA GLU 19 27.494 -6.560 20.621 147 HB2 GLU 19 1HB GLU 19 28.997 -6.720 17.980 148 HB3 GLU 19 2HB GLU 19 29.756 -6.479 19.562 149 HG2 GLU 19 1HG GLU 19 28.878 -8.640 20.318 150 HG3 GLU 19 2HG GLU 19 28.092 -8.885 18.758 151 H SER 20 H SER 20 26.582 -4.913 17.743 152 HA SER 20 HA SER 20 27.672 -2.324 18.798 153 HB2 SER 20 1HB SER 20 26.773 -3.130 16.000 154 HB3 SER 20 2HB SER 20 27.344 -1.515 16.470 155 HG SER 20 HG SER 20 28.872 -3.861 16.899 156 HA PRO 21 HA PRO 21 23.536 -1.201 19.673 157 HB2 PRO 21 1HB PRO 21 23.560 1.517 19.358 158 HB3 PRO 21 2HB PRO 21 24.437 0.692 20.689 159 HG2 PRO 21 1HG PRO 21 25.502 1.634 18.031 160 HG3 PRO 21 2HG PRO 21 26.155 1.917 19.676 161 HD2 PRO 21 1HD PRO 21 27.139 0.005 18.102 162 HD3 PRO 21 2HD PRO 21 26.973 -0.227 19.878 163 H ASP 22 H ASP 22 24.887 -0.640 16.541 164 HA ASP 22 HA ASP 22 22.353 0.216 15.332 165 HB2 ASP 22 1HB ASP 22 25.233 0.066 14.589 166 HB3 ASP 22 2HB ASP 22 24.111 -0.354 13.289 167 H GLU 23 H GLU 23 23.708 -2.710 16.373 168 HA GLU 23 HA GLU 23 22.990 -4.179 13.920 169 HB2 GLU 23 1HB GLU 23 25.207 -4.412 15.092 170 HB3 GLU 23 2HB GLU 23 24.353 -5.167 16.438 171 HG2 GLU 23 1HG GLU 23 23.588 -6.961 14.936 172 HG3 GLU 23 2HG GLU 23 24.419 -6.181 13.586 173 H LEU 24 H LEU 24 21.598 -5.948 13.866 174 HA LEU 24 HA LEU 24 19.577 -5.993 16.052 175 HB2 LEU 24 1HB LEU 24 19.651 -7.211 13.288 176 HB3 LEU 24 2HB LEU 24 18.398 -7.576 14.463 177 HG LEU 24 HG LEU 24 18.977 -4.834 13.301 178 HD11 LEU 24 1HD1 LEU 24 16.853 -6.911 12.737 179 HD12 LEU 24 2HD1 LEU 24 18.037 -6.216 11.612 180 HD13 LEU 24 3HD1 LEU 24 16.719 -5.210 12.239 181 HD21 LEU 24 1HD2 LEU 24 18.100 -4.604 15.530 182 HD22 LEU 24 2HD2 LEU 24 16.829 -5.817 15.218 183 HD23 LEU 24 3HD2 LEU 24 16.794 -4.243 14.387 184 H SER 25 H SER 25 19.088 -7.733 17.247 185 HA SER 25 HA SER 25 20.921 -10.068 17.046 186 HB2 SER 25 1HB SER 25 20.155 -10.423 19.465 187 HB3 SER 25 2HB SER 25 21.236 -9.046 19.181 188 HG SER 25 HG SER 25 19.450 -8.469 20.484 189 H PHE 26 H PHE 26 20.015 -11.958 16.662 190 HA PHE 26 HA PHE 26 17.142 -12.418 17.064 191 HB2 PHE 26 1HB PHE 26 16.764 -13.059 14.679 192 HB3 PHE 26 2HB PHE 26 16.972 -11.339 14.959 193 HD1 PHE 26 HD1 PHE 26 18.411 -10.111 13.661 194 HD2 PHE 26 HD2 PHE 26 18.972 -14.368 13.923 195 HE1 PHE 26 HE1 PHE 26 20.072 -9.998 11.855 196 HE2 PHE 26 HE2 PHE 26 20.671 -14.257 12.104 197 HZ PHE 26 HZ PHE 26 21.184 -12.080 11.012 198 H ARG 27 H ARG 27 16.497 -14.622 16.163 199 HA ARG 27 HA ARG 27 18.654 -16.540 16.936 200 HB2 ARG 27 1HB ARG 27 16.426 -16.315 18.202 201 HB3 ARG 27 2HB ARG 27 15.632 -16.907 16.745 202 HG2 ARG 27 1HG ARG 27 15.808 -18.737 18.216 203 HG3 ARG 27 2HG ARG 27 17.029 -19.011 16.970 204 HD2 ARG 27 1HD ARG 27 18.779 -18.151 18.476 205 HD3 ARG 27 2HD ARG 27 17.551 -17.796 19.708 206 HE ARG 27 HE ARG 27 17.333 -20.532 19.019 207 HH11 ARG 27 1HH1 ARG 27 19.662 -18.423 20.634 208 HH12 ARG 27 2HH1 ARG 27 20.282 -19.713 21.625 209 HH21 ARG 27 1HH2 ARG 27 18.176 -22.128 20.319 210 HH22 ARG 27 2HH2 ARG 27 19.454 -21.773 21.447 211 H LYS 28 H LYS 28 18.823 -18.515 15.674 212 HA LYS 28 HA LYS 28 18.682 -18.255 12.847 213 HB2 LYS 28 1HB LYS 28 20.057 -19.981 13.944 214 HB3 LYS 28 2HB LYS 28 18.613 -20.727 14.639 215 HG2 LYS 28 1HG LYS 28 17.806 -21.350 12.430 216 HG3 LYS 28 2HG LYS 28 19.162 -20.509 11.669 217 HD2 LYS 28 1HD LYS 28 20.732 -22.053 12.778 218 HD3 LYS 28 2HD LYS 28 19.360 -22.914 13.508 219 HE2 LYS 28 1HE LYS 28 18.503 -23.498 11.282 220 HE3 LYS 28 2HE LYS 28 19.783 -22.531 10.518 221 HZ1 LYS 28 1HZ LYS 28 20.397 -24.832 10.516 222 HZ2 LYS 28 2HZ LYS 28 20.229 -24.944 12.154 223 HZ3 LYS 28 3HZ LYS 28 21.415 -24.009 11.513 224 H GLY 29 H GLY 29 17.086 -18.524 11.422 225 HA2 GLY 29 1HA GLY 29 15.101 -19.513 10.625 226 HA3 GLY 29 2HA GLY 29 14.615 -19.912 12.274 227 H ASP 30 H ASP 30 15.511 -16.830 12.725 228 HA ASP 30 HA ASP 30 12.789 -15.864 12.700 229 HB2 ASP 30 1HB ASP 30 15.494 -14.570 13.180 230 HB3 ASP 30 2HB ASP 30 14.004 -13.626 13.152 231 H ILE 31 H ILE 31 12.051 -13.958 11.578 232 HA ILE 31 HA ILE 31 13.255 -13.678 8.857 233 HB ILE 31 HB ILE 31 10.312 -13.417 9.656 234 HG12 ILE 31 1HG1 ILE 31 10.939 -15.762 9.616 235 HG13 ILE 31 2HG1 ILE 31 9.943 -15.382 8.218 236 HG21 ILE 31 1HG2 ILE 31 10.761 -11.854 7.871 237 HG22 ILE 31 2HG2 ILE 31 11.746 -13.038 6.981 238 HG23 ILE 31 3HG2 ILE 31 9.980 -13.258 7.120 239 HD11 ILE 31 1HD1 ILE 31 11.598 -16.790 7.383 240 HD12 ILE 31 2HD1 ILE 31 12.152 -15.179 6.897 241 HD13 ILE 31 3HD1 ILE 31 12.885 -15.985 8.305 242 H MET 32 H MET 32 13.860 -11.656 8.332 243 HA MET 32 HA MET 32 12.641 -9.394 9.858 244 HB2 MET 32 1HB MET 32 14.840 -8.248 9.759 245 HB3 MET 32 2HB MET 32 14.846 -9.688 10.760 246 HG2 MET 32 1HG MET 32 15.662 -10.750 8.394 247 HG3 MET 32 2HG MET 32 16.343 -9.127 8.300 248 HE1 MET 32 1HE MET 32 17.229 -12.369 11.525 249 HE2 MET 32 2HE MET 32 15.598 -11.685 11.364 250 HE3 MET 32 3HE MET 32 16.304 -12.627 10.029 251 H THR 33 H THR 33 12.637 -7.415 8.739 252 HA THR 33 HA THR 33 12.189 -7.824 5.830 253 HB THR 33 HB THR 33 11.757 -5.382 7.617 254 HG1 THR 33 HG1 THR 33 9.531 -6.058 7.335 255 HG21 THR 33 1HG2 THR 33 11.992 -4.695 5.320 256 HG22 THR 33 2HG2 THR 33 10.270 -4.656 5.744 257 HG23 THR 33 3HG2 THR 33 10.910 -6.003 4.768 258 H VAL 34 H VAL 34 13.927 -7.556 4.503 259 HA VAL 34 HA VAL 34 16.227 -5.959 5.375 260 HB VAL 34 HB VAL 34 15.696 -7.220 2.682 261 HG11 VAL 34 1HG1 VAL 34 17.425 -5.515 2.539 262 HG12 VAL 34 2HG1 VAL 34 18.250 -6.180 3.972 263 HG13 VAL 34 3HG1 VAL 34 18.184 -7.116 2.458 264 HG21 VAL 34 1HG2 VAL 34 17.076 -8.295 5.148 265 HG22 VAL 34 2HG2 VAL 34 15.648 -8.960 4.316 266 HG23 VAL 34 3HG2 VAL 34 17.236 -9.005 3.535 267 H LEU 35 H LEU 35 16.394 -3.888 5.104 268 HA LEU 35 HA LEU 35 14.467 -2.503 3.340 269 HB2 LEU 35 1HB LEU 35 16.467 -1.525 5.395 270 HB3 LEU 35 2HB LEU 35 15.312 -0.506 4.549 271 HG LEU 35 HG LEU 35 14.537 -2.812 6.368 272 HD11 LEU 35 1HD1 LEU 35 14.762 0.152 6.863 273 HD12 LEU 35 2HD1 LEU 35 15.655 -1.174 7.651 274 HD13 LEU 35 3HD1 LEU 35 13.913 -0.993 7.929 275 HD21 LEU 35 1HD2 LEU 35 12.905 -0.562 5.135 276 HD22 LEU 35 2HD2 LEU 35 12.312 -1.718 6.348 277 HD23 LEU 35 3HD2 LEU 35 12.789 -2.294 4.748 278 H GLU 36 H GLU 36 18.018 -2.725 3.968 279 HA GLU 36 HA GLU 36 18.384 -2.508 1.070 280 HB2 GLU 36 1HB GLU 36 19.677 -0.596 0.944 281 HB3 GLU 36 2HB GLU 36 18.329 -0.131 1.960 282 HG2 GLU 36 1HG GLU 36 19.826 -0.525 3.893 283 HG3 GLU 36 2HG GLU 36 21.140 -0.605 2.722 284 H ARG 37 H ARG 37 20.830 -2.702 0.563 285 HA ARG 37 HA ARG 37 22.074 -4.490 2.616 286 HB2 ARG 37 1HB ARG 37 22.233 -4.670 -0.405 287 HB3 ARG 37 2HB ARG 37 23.057 -5.721 0.747 288 HG2 ARG 37 1HG ARG 37 20.814 -6.507 1.544 289 HG3 ARG 37 2HG ARG 37 20.080 -5.563 0.243 290 HD2 ARG 37 1HD ARG 37 22.096 -7.809 -0.116 291 HD3 ARG 37 2HD ARG 37 20.361 -7.930 -0.416 292 HE ARG 37 HE ARG 37 20.595 -6.597 -2.364 293 HH11 ARG 37 1HH1 ARG 37 23.749 -7.077 -0.837 294 HH12 ARG 37 2HH1 ARG 37 24.617 -6.490 -2.220 295 HH21 ARG 37 1HH2 ARG 37 21.787 -5.903 -4.115 296 HH22 ARG 37 2HH2 ARG 37 23.528 -5.875 -4.045 297 H ASP 38 H ASP 38 24.324 -4.306 2.750 298 HA ASP 38 HA ASP 38 26.305 -3.246 2.784 299 HB2 ASP 38 1HB ASP 38 25.678 -2.445 -0.066 300 HB3 ASP 38 2HB ASP 38 27.277 -2.657 0.670 301 H THR 39 H THR 39 24.132 -2.043 3.846 302 HA THR 39 HA THR 39 23.645 0.670 3.145 303 HB THR 39 HB THR 39 22.089 -0.621 4.505 304 HG1 THR 39 HG1 THR 39 21.799 1.446 5.026 305 HG21 THR 39 1HG2 THR 39 23.411 -2.112 5.696 306 HG22 THR 39 2HG2 THR 39 22.613 -1.077 6.884 307 HG23 THR 39 3HG2 THR 39 24.326 -0.812 6.496 308 H GLN 40 H GLN 40 24.345 2.588 4.062 309 HA GLN 40 HA GLN 40 25.866 4.084 4.817 310 HB2 GLN 40 1HB GLN 40 26.702 2.156 6.967 311 HB3 GLN 40 2HB GLN 40 26.647 3.912 7.016 312 HG2 GLN 40 1HG GLN 40 24.088 3.610 6.725 313 HG3 GLN 40 2HG GLN 40 24.377 1.929 7.181 314 HE21 GLN 40 1HE2 GLN 40 24.493 2.612 10.600 315 HE22 GLN 40 2HE2 GLN 40 24.365 1.449 9.300 316 H GLY 41 H GLY 41 26.833 1.683 3.038 317 HA2 GLY 41 1HA GLY 41 28.837 1.445 1.867 318 HA3 GLY 41 2HA GLY 41 29.631 2.565 2.994 319 H LEU 42 H LEU 42 27.798 0.143 4.586 320 HA LEU 42 HA LEU 42 30.288 -1.151 5.467 321 HB2 LEU 42 1HB LEU 42 27.416 -1.504 6.329 322 HB3 LEU 42 2HB LEU 42 28.825 -2.159 7.139 323 HG LEU 42 HG LEU 42 28.310 0.803 6.852 324 HD11 LEU 42 1HD1 LEU 42 27.597 -1.102 9.099 325 HD12 LEU 42 2HD1 LEU 42 26.463 -0.247 8.019 326 HD13 LEU 42 3HD1 LEU 42 27.465 0.674 9.159 327 HD21 LEU 42 1HD2 LEU 42 30.625 0.227 7.360 328 HD22 LEU 42 2HD2 LEU 42 30.089 -0.823 8.694 329 HD23 LEU 42 3HD2 LEU 42 29.837 0.931 8.788 330 H ASP 43 H ASP 43 30.846 -2.347 3.627 331 HA ASP 43 HA ASP 43 29.066 -3.906 2.075 332 HB2 ASP 43 1HB ASP 43 32.023 -4.100 2.661 333 HB3 ASP 43 2HB ASP 43 31.210 -5.362 1.720 334 H GLY 44 H GLY 44 28.001 -5.736 2.354 335 HA2 GLY 44 1HA GLY 44 27.684 -7.925 3.147 336 HA3 GLY 44 2HA GLY 44 29.021 -7.721 4.284 337 H TRP 45 H TRP 45 27.495 -5.001 5.048 338 HA TRP 45 HA TRP 45 25.804 -6.324 7.088 339 HB2 TRP 45 1HB TRP 45 26.922 -3.567 6.617 340 HB3 TRP 45 2HB TRP 45 25.686 -3.829 7.810 341 HD1 TRP 45 HD1 TRP 45 29.376 -3.927 7.413 342 HE1 TRP 45 HE1 TRP 45 30.545 -4.863 9.462 343 HE3 TRP 45 HE3 TRP 45 25.259 -5.911 9.651 344 HZ2 TRP 45 HZ2 TRP 45 29.759 -6.378 11.787 345 HZ3 TRP 45 HZ3 TRP 45 25.514 -7.083 11.828 346 HH2 TRP 45 HH2 TRP 45 27.735 -7.327 12.869 347 H TRP 46 H TRP 46 23.620 -6.354 6.891 348 HA TRP 46 HA TRP 46 22.448 -4.698 4.681 349 HB2 TRP 46 1HB TRP 46 21.597 -7.400 5.783 350 HB3 TRP 46 2HB TRP 46 20.711 -6.481 4.559 351 HD1 TRP 46 HD1 TRP 46 24.128 -5.904 3.537 352 HE1 TRP 46 HE1 TRP 46 25.004 -7.492 1.786 353 HE3 TRP 46 HE3 TRP 46 20.539 -9.518 4.055 354 HZ2 TRP 46 HZ2 TRP 46 24.264 -10.060 0.740 355 HZ3 TRP 46 HZ3 TRP 46 20.724 -11.579 2.668 356 HH2 TRP 46 HH2 TRP 46 22.540 -11.825 0.999 357 H LEU 47 H LEU 47 20.931 -3.261 5.193 358 HA LEU 47 HA LEU 47 20.241 -2.850 8.008 359 HB2 LEU 47 1HB LEU 47 20.542 -0.969 6.412 360 HB3 LEU 47 2HB LEU 47 19.217 -1.589 5.438 361 HG LEU 47 HG LEU 47 17.647 -1.103 7.235 362 HD11 LEU 47 1HD1 LEU 47 18.381 0.287 9.175 363 HD12 LEU 47 2HD1 LEU 47 20.066 -0.055 8.725 364 HD13 LEU 47 3HD1 LEU 47 18.980 -1.378 9.213 365 HD21 LEU 47 1HD2 LEU 47 18.142 0.595 5.528 366 HD22 LEU 47 2HD2 LEU 47 19.435 1.253 6.553 367 HD23 LEU 47 3HD2 LEU 47 17.737 1.342 7.087 368 H CYS 48 H CYS 48 18.645 -3.909 9.015 369 HA CYS 48 HA CYS 48 16.263 -4.637 7.388 370 HB2 CYS 48 1HB CYS 48 17.465 -6.498 9.461 371 HB3 CYS 48 2HB CYS 48 16.168 -6.835 8.319 372 HG CYS 48 HG CYS 48 19.354 -6.216 7.672 373 H SER 49 H SER 49 14.450 -5.328 8.789 374 HA SER 49 HA SER 49 14.472 -3.818 11.371 375 HB2 SER 49 1HB SER 49 12.726 -2.590 10.717 376 HB3 SER 49 2HB SER 49 13.084 -3.112 9.079 377 HG SER 49 HG SER 49 11.700 -5.012 9.678 378 H LEU 50 H LEU 50 13.893 -4.960 13.064 379 HA LEU 50 HA LEU 50 12.240 -7.413 12.799 380 HB2 LEU 50 1HB LEU 50 14.615 -8.103 12.448 381 HB3 LEU 50 2HB LEU 50 15.041 -7.322 13.965 382 HG LEU 50 HG LEU 50 13.023 -9.100 14.686 383 HD11 LEU 50 1HD1 LEU 50 13.271 -10.114 12.437 384 HD12 LEU 50 2HD1 LEU 50 13.594 -11.210 13.806 385 HD13 LEU 50 3HD1 LEU 50 14.948 -10.516 12.886 386 HD21 LEU 50 1HD2 LEU 50 14.903 -10.293 15.773 387 HD22 LEU 50 2HD2 LEU 50 14.991 -8.534 15.985 388 HD23 LEU 50 3HD2 LEU 50 16.040 -9.337 14.796 389 H HIS 51 H HIS 51 11.013 -7.659 14.631 390 HA HIS 51 HA HIS 51 10.023 -7.161 16.638 391 HB2 HIS 51 1HB HIS 51 12.889 -6.696 17.542 392 HB3 HIS 51 2HB HIS 51 11.496 -6.922 18.602 393 HD1 HIS 51 HD1 HIS 51 13.918 -8.877 18.734 394 HD2 HIS 51 HD2 HIS 51 10.486 -9.511 16.458 395 HE1 HIS 51 HE1 HIS 51 13.732 -11.372 18.356 396 H GLY 52 H GLY 52 10.336 -4.919 14.740 397 HA2 GLY 52 1HA GLY 52 9.652 -2.712 14.804 398 HA3 GLY 52 2HA GLY 52 9.549 -2.821 16.565 399 H ARG 53 H ARG 53 12.641 -3.751 15.326 400 HA ARG 53 HA ARG 53 13.718 -1.021 15.902 401 HB2 ARG 53 1HB ARG 53 14.153 -2.953 17.603 402 HB3 ARG 53 2HB ARG 53 15.224 -3.581 16.358 403 HG2 ARG 53 1HG ARG 53 15.792 -0.779 16.693 404 HG3 ARG 53 2HG ARG 53 15.739 -1.544 18.298 405 HD2 ARG 53 1HD ARG 53 17.168 -3.363 17.351 406 HD3 ARG 53 2HD ARG 53 17.366 -2.394 15.899 407 HE ARG 53 HE ARG 53 18.878 -1.031 16.984 408 HH11 ARG 53 1HH1 ARG 53 17.306 -3.058 19.419 409 HH12 ARG 53 2HH1 ARG 53 18.463 -2.629 20.650 410 HH21 ARG 53 1HH2 ARG 53 20.337 -0.569 18.600 411 HH22 ARG 53 2HH2 ARG 53 20.113 -1.229 20.202 412 H GLN 54 H GLN 54 15.352 -0.385 14.492 413 HA GLN 54 HA GLN 54 15.662 -2.094 12.066 414 HB2 GLN 54 1HB GLN 54 15.139 0.717 12.496 415 HB3 GLN 54 2HB GLN 54 16.678 0.514 11.645 416 HG2 GLN 54 1HG GLN 54 15.528 -0.849 9.967 417 HG3 GLN 54 2HG GLN 54 14.005 -0.637 10.846 418 HE21 GLN 54 1HE2 GLN 54 15.607 2.740 9.099 419 HE22 GLN 54 2HE2 GLN 54 16.657 1.595 9.894 420 H GLY 55 H GLY 55 17.789 -2.511 11.349 421 HA2 GLY 55 1HA GLY 55 20.075 -1.226 12.450 422 HA3 GLY 55 2HA GLY 55 19.752 -2.696 13.379 423 H ILE 56 H ILE 56 22.118 -2.567 12.147 424 HA ILE 56 HA ILE 56 21.905 -3.765 9.462 425 HB ILE 56 HB ILE 56 24.372 -3.754 9.462 426 HG12 ILE 56 1HG1 ILE 56 24.077 -2.807 12.357 427 HG13 ILE 56 2HG1 ILE 56 24.686 -4.377 11.855 428 HG21 ILE 56 1HG2 ILE 56 24.668 -1.370 9.477 429 HG22 ILE 56 2HG2 ILE 56 22.971 -1.640 9.044 430 HG23 ILE 56 3HG2 ILE 56 23.394 -1.126 10.697 431 HD11 ILE 56 1HD1 ILE 56 26.539 -3.111 10.650 432 HD12 ILE 56 2HD1 ILE 56 25.975 -1.664 11.517 433 HD13 ILE 56 3HD1 ILE 56 26.563 -3.070 12.425 434 H VAL 57 H VAL 57 22.784 -5.778 8.916 435 HA VAL 57 HA VAL 57 22.949 -7.809 11.099 436 HB VAL 57 HB VAL 57 21.290 -7.991 8.578 437 HG11 VAL 57 1HG1 VAL 57 20.494 -10.145 9.490 438 HG12 VAL 57 2HG1 VAL 57 22.174 -10.122 8.925 439 HG13 VAL 57 3HG1 VAL 57 21.817 -10.033 10.661 440 HG21 VAL 57 1HG2 VAL 57 19.351 -8.221 10.147 441 HG22 VAL 57 2HG2 VAL 57 20.475 -7.810 11.466 442 HG23 VAL 57 3HG2 VAL 57 20.134 -6.626 10.188 443 HA PRO 58 HA PRO 58 26.231 -8.934 8.281 444 HB2 PRO 58 1HB PRO 58 26.877 -11.429 9.207 445 HB3 PRO 58 2HB PRO 58 27.302 -9.933 10.097 446 HG2 PRO 58 1HG PRO 58 24.983 -11.791 10.544 447 HG3 PRO 58 2HG PRO 58 26.123 -11.110 11.739 448 HD2 PRO 58 1HD PRO 58 23.657 -10.043 11.263 449 HD3 PRO 58 2HD PRO 58 25.058 -9.041 11.732 450 H GLY 59 H GLY 59 25.586 -9.335 6.209 451 HA2 GLY 59 1HA GLY 59 23.401 -11.018 5.500 452 HA3 GLY 59 2HA GLY 59 24.666 -10.430 4.406 453 H ASN 60 H ASN 60 26.675 -11.750 6.283 454 HA ASN 60 HA ASN 60 26.997 -14.222 4.898 455 HB2 ASN 60 1HB ASN 60 28.681 -12.716 6.249 456 HB3 ASN 60 2HB ASN 60 28.172 -13.692 7.635 457 HD21 ASN 60 1HD2 ASN 60 31.058 -15.483 6.502 458 HD22 ASN 60 2HD2 ASN 60 30.557 -14.147 7.523 459 H ARG 61 H ARG 61 24.995 -13.366 7.613 460 HA ARG 61 HA ARG 61 24.532 -16.274 8.187 461 HB2 ARG 61 1HB ARG 61 24.052 -13.845 9.957 462 HB3 ARG 61 2HB ARG 61 23.694 -15.523 10.384 463 HG2 ARG 61 1HG ARG 61 26.126 -16.053 10.160 464 HG3 ARG 61 2HG ARG 61 26.438 -14.321 9.908 465 HD2 ARG 61 1HD ARG 61 25.404 -13.822 12.094 466 HD3 ARG 61 2HD ARG 61 25.088 -15.549 12.326 467 HE ARG 61 HE ARG 61 27.883 -15.099 11.802 468 HH11 ARG 61 1HH1 ARG 61 25.492 -14.873 14.412 469 HH12 ARG 61 2HH1 ARG 61 26.724 -14.988 15.643 470 HH21 ARG 61 1HH2 ARG 61 29.351 -15.271 13.407 471 HH22 ARG 61 2HH2 ARG 61 28.870 -15.209 15.089 472 H LEU 62 H LEU 62 23.313 -14.050 6.221 473 HA LEU 62 HA LEU 62 20.494 -14.643 7.001 474 HB2 LEU 62 1HB LEU 62 21.547 -12.227 7.255 475 HB3 LEU 62 2HB LEU 62 21.201 -12.145 5.530 476 HG LEU 62 HG LEU 62 18.847 -12.673 6.030 477 HD11 LEU 62 1HD1 LEU 62 17.962 -12.364 8.231 478 HD12 LEU 62 2HD1 LEU 62 19.616 -12.289 8.886 479 HD13 LEU 62 3HD1 LEU 62 19.014 -13.767 8.112 480 HD21 LEU 62 1HD2 LEU 62 18.336 -10.410 6.971 481 HD22 LEU 62 2HD2 LEU 62 19.494 -10.413 5.628 482 HD23 LEU 62 3HD2 LEU 62 20.072 -10.230 7.296 483 H LYS 63 H LYS 63 19.055 -15.170 5.492 484 HA LYS 63 HA LYS 63 20.090 -15.333 2.688 485 HB2 LYS 63 1HB LYS 63 19.933 -17.559 3.609 486 HB3 LYS 63 2HB LYS 63 18.298 -17.254 4.197 487 HG2 LYS 63 1HG LYS 63 17.418 -17.229 1.949 488 HG3 LYS 63 2HG LYS 63 19.049 -17.202 1.252 489 HD2 LYS 63 1HD LYS 63 18.164 -19.420 1.023 490 HD3 LYS 63 2HD LYS 63 19.466 -19.453 2.226 491 HE2 LYS 63 1HE LYS 63 17.720 -19.367 4.035 492 HE3 LYS 63 2HE LYS 63 16.469 -19.472 2.775 493 HZ1 LYS 63 1HZ LYS 63 17.445 -21.595 2.099 494 HZ2 LYS 63 2HZ LYS 63 17.011 -21.655 3.690 495 HZ3 LYS 63 3HZ LYS 63 18.598 -21.487 3.273 496 H ILE 64 H ILE 64 19.112 -14.119 1.335 497 HA ILE 64 HA ILE 64 16.630 -12.794 1.903 498 HB ILE 64 HB ILE 64 18.088 -13.210 -0.753 499 HG12 ILE 64 1HG1 ILE 64 19.578 -12.166 0.859 500 HG13 ILE 64 2HG1 ILE 64 19.075 -10.990 -0.343 501 HG21 ILE 64 1HG2 ILE 64 16.931 -10.998 -1.292 502 HG22 ILE 64 2HG2 ILE 64 15.901 -12.446 -1.252 503 HG23 ILE 64 3HG2 ILE 64 15.904 -11.323 0.119 504 HD11 ILE 64 1HD1 ILE 64 17.319 -10.183 1.409 505 HD12 ILE 64 2HD1 ILE 64 18.244 -11.158 2.581 506 HD13 ILE 64 3HD1 ILE 64 19.021 -9.817 1.720 507 H LEU 65 H LEU 65 14.596 -13.498 1.648 508 HA LEU 65 HA LEU 65 14.208 -16.112 0.306 509 HB2 LEU 65 1HB LEU 65 12.283 -14.412 1.930 510 HB3 LEU 65 2HB LEU 65 11.992 -16.050 1.348 511 HG LEU 65 HG LEU 65 14.084 -15.229 3.396 512 HD11 LEU 65 1HD1 LEU 65 11.795 -15.052 4.221 513 HD12 LEU 65 2HD1 LEU 65 12.634 -16.413 4.978 514 HD13 LEU 65 3HD1 LEU 65 11.454 -16.716 3.684 515 HD21 LEU 65 1HD2 LEU 65 13.340 -17.976 2.310 516 HD22 LEU 65 2HD2 LEU 65 14.314 -17.704 3.772 517 HD23 LEU 65 3HD2 LEU 65 14.921 -17.160 2.198 518 H VAL 66 H VAL 66 14.529 -15.398 -1.809 519 HA VAL 66 HA VAL 66 13.124 -13.217 -3.016 520 HB VAL 66 HB VAL 66 14.205 -15.770 -4.338 521 HG11 VAL 66 1HG1 VAL 66 14.494 -14.304 -6.344 522 HG12 VAL 66 2HG1 VAL 66 12.795 -14.482 -5.879 523 HG13 VAL 66 3HG1 VAL 66 13.669 -12.986 -5.478 524 HG21 VAL 66 1HG2 VAL 66 15.616 -13.138 -3.698 525 HG22 VAL 66 2HG2 VAL 66 15.995 -14.740 -3.021 526 HG23 VAL 66 3HG2 VAL 66 16.283 -14.417 -4.739 527 H GLY 67 H GLY 67 12.258 -16.523 -2.273 528 HA2 GLY 67 1HA GLY 67 10.117 -17.449 -2.207 529 HA3 GLY 67 2HA GLY 67 9.473 -16.014 -3.032 530 H MET 68 H MET 68 10.811 -15.815 -5.310 531 HA MET 68 HA MET 68 9.909 -18.073 -6.901 532 HB2 MET 68 1HB MET 68 11.724 -15.734 -7.596 533 HB3 MET 68 2HB MET 68 11.012 -16.858 -8.757 534 HG2 MET 68 1HG MET 68 8.749 -16.116 -8.035 535 HG3 MET 68 2HG MET 68 9.512 -14.907 -6.983 536 HE1 MET 68 1HE MET 68 10.642 -12.717 -7.776 537 HE2 MET 68 2HE MET 68 11.931 -13.650 -8.574 538 HE3 MET 68 3HE MET 68 11.090 -12.360 -9.460 539 H TYR 69 H TYR 69 11.257 -19.379 -8.210 540 HA TYR 69 HA TYR 69 12.957 -20.765 -8.713 541 HB2 TYR 69 1HB TYR 69 14.948 -18.900 -7.438 542 HB3 TYR 69 2HB TYR 69 15.150 -19.949 -8.842 543 HD1 TYR 69 HD1 TYR 69 14.689 -16.609 -7.800 544 HD2 TYR 69 HD2 TYR 69 13.455 -19.339 -10.898 545 HE1 TYR 69 HE1 TYR 69 14.111 -14.681 -9.281 546 HE2 TYR 69 HE2 TYR 69 12.869 -17.400 -12.359 547 HH TYR 69 HH TYR 69 12.756 -15.116 -12.545 548 H ASP 70 H ASP 70 11.907 -20.576 -5.712 549 HA ASP 70 HA ASP 70 14.058 -21.883 -4.266 550 HB2 ASP 70 1HB ASP 70 12.762 -21.569 -2.469 551 HB3 ASP 70 2HB ASP 70 11.748 -20.580 -3.529 552 H LYS 71 H LYS 71 13.657 -24.122 -3.287 553 HA LYS 71 HA LYS 71 12.413 -25.956 -5.272 554 HB2 LYS 71 1HB LYS 71 15.321 -26.052 -4.379 555 HB3 LYS 71 2HB LYS 71 14.503 -27.322 -5.306 556 HG2 LYS 71 1HG LYS 71 14.099 -25.768 -7.149 557 HG3 LYS 71 2HG LYS 71 14.844 -24.455 -6.227 558 HD2 LYS 71 1HD LYS 71 16.994 -25.634 -6.243 559 HD3 LYS 71 2HD LYS 71 16.256 -26.964 -7.165 560 HE2 LYS 71 1HE LYS 71 17.442 -25.425 -8.679 561 HE3 LYS 71 2HE LYS 71 15.696 -25.400 -8.993 562 HZ1 LYS 71 1HZ LYS 71 17.197 -23.355 -7.447 563 HZ2 LYS 71 2HZ LYS 71 15.563 -23.345 -7.662 564 HZ3 LYS 71 3HZ LYS 71 16.568 -23.159 -8.958 565 H LYS 72 H LYS 72 11.367 -25.376 -2.729 566 HA LYS 72 HA LYS 72 12.195 -27.336 -0.757 567 HB2 LYS 72 1HB LYS 72 9.637 -25.828 -1.321 568 HB3 LYS 72 2HB LYS 72 9.691 -27.065 -0.074 569 HG2 LYS 72 1HG LYS 72 11.425 -25.823 1.129 570 HG3 LYS 72 2HG LYS 72 11.373 -24.555 -0.117 571 HD2 LYS 72 1HD LYS 72 8.906 -24.351 0.302 572 HD3 LYS 72 2HD LYS 72 9.104 -25.474 1.659 573 HE2 LYS 72 1HE LYS 72 10.685 -23.892 2.718 574 HE3 LYS 72 2HE LYS 72 10.412 -22.756 1.367 575 HZ1 LYS 72 1HZ LYS 72 8.311 -23.804 3.195 576 HZ2 LYS 72 2HZ LYS 72 8.055 -22.757 1.941 577 HZ3 LYS 72 3HZ LYS 72 8.946 -22.278 3.242 578 HA PRO 73 HA PRO 73 10.198 -30.843 -2.658 579 HB2 PRO 73 1HB PRO 73 9.846 -32.533 -0.566 580 HB3 PRO 73 2HB PRO 73 11.483 -32.139 -1.183 581 HG2 PRO 73 1HG PRO 73 10.012 -30.966 1.166 582 HG3 PRO 73 2HG PRO 73 11.690 -31.590 1.083 583 HD2 PRO 73 1HD PRO 73 11.067 -28.927 0.873 584 HD3 PRO 73 2HD PRO 73 12.468 -29.655 0.023 585 H ALA 74 H ALA 74 8.778 -28.919 -0.175 586 HA ALA 74 HA ALA 74 6.082 -29.394 -1.151 587 HB1 ALA 74 1HB ALA 74 6.852 -30.236 1.706 588 HB2 ALA 74 2HB ALA 74 5.174 -30.029 1.126 589 HB3 ALA 74 3HB ALA 74 6.214 -31.280 0.420 590 H GLY 75 H GLY 75 6.329 -28.423 2.156 591 HA2 GLY 75 1HA GLY 75 6.920 -25.614 1.544 592 HA3 GLY 75 2HA GLY 75 5.241 -25.939 2.002 593 H SER 76 H SER 76 5.358 -27.772 3.916 594 HA SER 76 HA SER 76 6.712 -26.416 6.172 595 HB2 SER 76 1HB SER 76 5.321 -28.065 7.481 596 HB3 SER 76 2HB SER 76 4.355 -27.018 6.415 597 HG SER 76 HG SER 76 3.775 -29.245 6.245 598 H GLY 77 H GLY 77 7.477 -28.253 7.869 599 HA2 GLY 77 1HA GLY 77 8.725 -30.150 8.323 600 HA3 GLY 77 2HA GLY 77 8.665 -30.597 6.616 601 H GLY 78 H GLY 78 9.865 -28.492 5.354 602 HA2 GLY 78 1HA GLY 78 12.642 -29.032 5.953 603 HA3 GLY 78 2HA GLY 78 12.014 -27.985 4.679 604 H SER 79 H SER 79 11.537 -27.676 8.208 605 HA SER 79 HA SER 79 12.675 -24.934 8.032 606 HB2 SER 79 1HB SER 79 11.233 -26.319 10.325 607 HB3 SER 79 2HB SER 79 11.645 -24.595 10.220 608 HG SER 79 HG SER 79 9.471 -25.025 9.613 609 H GLY 80 H GLY 80 13.128 -28.055 9.686 610 HA2 GLY 80 1HA GLY 80 15.026 -28.886 10.739 611 HA3 GLY 80 2HA GLY 80 15.889 -27.385 10.350 612 H SER 81 H SER 81 16.364 -28.361 12.810 613 HA SER 81 HA SER 81 14.689 -26.640 14.603 614 HB2 SER 81 1HB SER 81 16.144 -29.204 15.331 615 HB3 SER 81 2HB SER 81 15.078 -28.245 16.382 616 HG SER 81 HG SER 81 13.358 -28.749 15.019 617 H GLY 82 H GLY 82 17.680 -26.825 13.185 618 HA2 GLY 82 1HA GLY 82 19.382 -25.243 13.668 619 HA3 GLY 82 2HA GLY 82 18.856 -25.177 15.346 620 H LEU 83 H LEU 83 18.774 -28.240 15.305 621 HA LEU 83 HA LEU 83 20.118 -29.928 16.051 622 HB2 LEU 83 1HB LEU 83 22.178 -28.766 14.140 623 HB3 LEU 83 2HB LEU 83 22.183 -30.395 14.812 624 HG LEU 83 HG LEU 83 20.066 -29.330 12.912 625 HD11 LEU 83 1HD1 LEU 83 21.211 -30.714 11.225 626 HD12 LEU 83 2HD1 LEU 83 22.468 -31.135 12.413 627 HD13 LEU 83 3HD1 LEU 83 22.289 -29.452 11.863 628 HD21 LEU 83 1HD2 LEU 83 20.657 -32.146 13.933 629 HD22 LEU 83 2HD2 LEU 83 19.491 -31.743 12.653 630 HD23 LEU 83 3HD2 LEU 83 19.220 -31.170 14.311 631 H THR 84 H THR 84 23.157 -29.681 16.157 632 HA THR 84 HA THR 84 23.445 -27.712 18.368 633 HB THR 84 HB THR 84 24.811 -29.415 19.617 634 HG1 THR 84 HG1 THR 84 25.429 -30.967 18.280 635 HG21 THR 84 1HG2 THR 84 22.366 -29.144 20.145 636 HG22 THR 84 2HG2 THR 84 23.008 -30.764 20.499 637 HG23 THR 84 3HG2 THR 84 22.027 -30.500 19.042 638 H ASP 85 H ASP 85 25.812 -27.384 18.753 639 HA ASP 85 HA ASP 85 27.920 -26.915 18.101 640 HB2 ASP 85 1HB ASP 85 27.684 -29.438 16.451 641 HB3 ASP 85 2HB ASP 85 29.157 -28.720 17.116 642 H GLU 86 H GLU 86 25.640 -26.150 16.137 643 HA GLU 86 HA GLU 86 27.055 -25.905 13.607 644 HB2 GLU 86 1HB GLU 86 24.565 -26.230 13.822 645 HB3 GLU 86 2HB GLU 86 24.460 -24.590 14.473 646 HG2 GLU 86 1HG GLU 86 25.510 -23.754 12.353 647 HG3 GLU 86 2HG GLU 86 25.446 -25.407 11.719 648 H LEU 87 H LEU 87 28.897 -24.743 14.135 649 HA LEU 87 HA LEU 87 28.717 -22.191 15.508 650 HB2 LEU 87 1HB LEU 87 30.969 -23.485 13.937 651 HB3 LEU 87 2HB LEU 87 31.127 -22.003 14.886 652 HG LEU 87 HG LEU 87 30.320 -24.700 16.051 653 HD11 LEU 87 1HD1 LEU 87 32.605 -24.762 15.135 654 HD12 LEU 87 2HD1 LEU 87 32.624 -24.807 16.910 655 HD13 LEU 87 3HD1 LEU 87 33.026 -23.297 16.056 656 HD21 LEU 87 1HD2 LEU 87 29.551 -22.835 17.434 657 HD22 LEU 87 2HD2 LEU 87 31.161 -22.075 17.368 658 HD23 LEU 87 3HD2 LEU 87 30.931 -23.620 18.220 659 H ALA 88 H ALA 88 28.213 -20.317 14.703 660 HA ALA 88 HA ALA 88 27.523 -20.062 11.929 661 HB1 ALA 88 1HB ALA 88 27.705 -17.931 14.089 662 HB2 ALA 88 2HB ALA 88 26.778 -17.840 12.571 663 HB3 ALA 88 3HB ALA 88 26.308 -19.001 13.832 664 HA PRO 89 HA PRO 89 31.321 -18.386 10.427 665 HB2 PRO 89 1HB PRO 89 30.524 -16.936 8.266 666 HB3 PRO 89 2HB PRO 89 30.405 -18.719 8.303 667 HG2 PRO 89 1HG PRO 89 28.294 -16.668 8.919 668 HG3 PRO 89 2HG PRO 89 28.214 -18.055 7.787 669 HD2 PRO 89 1HD PRO 89 27.223 -18.221 10.291 670 HD3 PRO 89 2HD PRO 89 28.063 -19.616 9.530 671 HA PRO 90 HA PRO 90 31.797 -14.464 12.225 672 HB2 PRO 90 1HB PRO 90 33.783 -13.203 10.845 673 HB3 PRO 90 2HB PRO 90 34.079 -14.672 11.831 674 HG2 PRO 90 1HG PRO 90 33.591 -14.459 8.871 675 HG3 PRO 90 2HG PRO 90 34.920 -15.296 9.739 676 HD2 PRO 90 1HD PRO 90 32.740 -16.630 8.871 677 HD3 PRO 90 2HD PRO 90 33.507 -17.047 10.439 678 H LYS 91 H LYS 91 31.392 -12.221 12.158 679 HA LYS 91 HA LYS 91 29.650 -11.360 9.934 680 HB2 LYS 91 1HB LYS 91 29.263 -9.375 11.433 681 HB3 LYS 91 2HB LYS 91 28.808 -10.923 12.152 682 HG2 LYS 91 1HG LYS 91 30.892 -10.939 13.487 683 HG3 LYS 91 2HG LYS 91 31.388 -9.412 12.741 684 HD2 LYS 91 1HD LYS 91 30.489 -8.952 14.934 685 HD3 LYS 91 2HD LYS 91 29.373 -8.309 13.724 686 HE2 LYS 91 1HE LYS 91 27.865 -10.228 14.039 687 HE3 LYS 91 2HE LYS 91 29.032 -10.982 15.152 688 HZ1 LYS 91 1HZ LYS 91 27.263 -9.826 16.330 689 HZ2 LYS 91 2HZ LYS 91 27.662 -8.397 15.615 690 HZ3 LYS 91 3HZ LYS 91 28.730 -9.142 16.653 691 HA PRO 92 HA PRO 92 32.992 -9.043 8.177 692 HB2 PRO 92 1HB PRO 92 31.704 -6.882 7.044 693 HB3 PRO 92 2HB PRO 92 31.647 -8.534 6.356 694 HG2 PRO 92 1HG PRO 92 29.659 -7.124 8.046 695 HG3 PRO 92 2HG PRO 92 29.408 -8.105 6.589 696 HD2 PRO 92 1HD PRO 92 29.003 -9.023 9.112 697 HD3 PRO 92 2HD PRO 92 29.549 -10.084 7.767 698 HA PRO 93 HA PRO 93 34.037 -6.159 11.280 699 HB2 PRO 93 1HB PRO 93 35.831 -4.451 10.159 700 HB3 PRO 93 2HB PRO 93 36.180 -6.201 10.334 701 HG2 PRO 93 1HG PRO 93 35.116 -4.720 7.949 702 HG3 PRO 93 2HG PRO 93 36.524 -5.824 8.050 703 HD2 PRO 93 1HD PRO 93 34.099 -6.672 7.217 704 HD3 PRO 93 2HD PRO 93 35.161 -7.729 8.212 705 H LEU 94 H LEU 94 34.202 -3.799 11.922 706 HA LEU 94 HA LEU 94 32.335 -2.070 10.410 707 HB2 LEU 94 1HB LEU 94 32.230 -2.869 13.326 708 HB3 LEU 94 2HB LEU 94 31.599 -1.314 12.803 709 HG LEU 94 HG LEU 94 30.608 -4.021 11.863 710 HD11 LEU 94 1HD1 LEU 94 29.291 -1.878 13.531 711 HD12 LEU 94 2HD1 LEU 94 30.050 -3.350 14.192 712 HD13 LEU 94 3HD1 LEU 94 28.641 -3.481 13.119 713 HD21 LEU 94 1HD2 LEU 94 30.328 -2.395 10.079 714 HD22 LEU 94 2HD2 LEU 94 29.647 -1.204 11.216 715 HD23 LEU 94 3HD2 LEU 94 28.768 -2.699 10.836 716 HA PRO 95 HA PRO 95 35.389 1.030 11.362 717 HB2 PRO 95 1HB PRO 95 33.958 3.307 11.038 718 HB3 PRO 95 2HB PRO 95 34.263 2.205 9.659 719 HG2 PRO 95 1HG PRO 95 31.839 2.401 11.431 720 HG3 PRO 95 2HG PRO 95 31.923 2.398 9.641 721 HD2 PRO 95 1HD PRO 95 31.392 0.146 11.104 722 HD3 PRO 95 2HD PRO 95 32.275 0.087 9.552 723 H GLU 96 H GLU 96 35.678 3.048 12.768 724 HA GLU 96 HA GLU 96 34.799 2.442 15.491 725 HB2 GLU 96 1HB GLU 96 36.556 4.646 14.354 726 HB3 GLU 96 2HB GLU 96 36.337 4.302 16.078 727 HG2 GLU 96 1HG GLU 96 37.314 2.066 15.764 728 HG3 GLU 96 2HG GLU 96 37.538 2.399 14.037 729 H GLY 97 H GLY 97 32.602 3.211 13.819 730 HA2 GLY 97 1HA GLY 97 30.686 4.483 14.343 731 HA3 GLY 97 2HA GLY 97 31.671 5.546 15.363 732 H GLU 98 H GLU 98 30.922 7.476 14.480 733 HA GLU 98 HA GLU 98 30.938 7.919 11.602 734 HB2 GLU 98 1HB GLU 98 29.333 8.987 13.219 735 HB3 GLU 98 2HB GLU 98 30.673 9.943 13.859 736 HG2 GLU 98 1HG GLU 98 31.010 10.940 11.597 737 HG3 GLU 98 2HG GLU 98 29.636 9.996 10.996 738 H VAL 99 H VAL 99 33.076 7.448 11.020 739 HA VAL 99 HA VAL 99 35.056 9.562 11.738 740 HB VAL 99 HB VAL 99 36.857 7.859 11.437 741 HG11 VAL 99 1HG1 VAL 99 36.609 6.834 13.665 742 HG12 VAL 99 2HG1 VAL 99 35.953 8.472 13.724 743 HG13 VAL 99 3HG1 VAL 99 34.856 7.088 13.644 744 HG21 VAL 99 1HG2 VAL 99 35.549 6.167 10.059 745 HG22 VAL 99 2HG2 VAL 99 36.350 5.442 11.460 746 HG23 VAL 99 3HG2 VAL 99 34.608 5.752 11.502 747 HXT VAL 99 H02 VAL 99 35.815 10.026 8.556 Start of MODEL 32 1 H2 GLY 1 2H0 GLY 1 3.072 4.431 -5.979 2 H GLY 1 1H0 GLY 1 3.077 3.951 -4.422 3 HA2 GLY 1 1HA GLY 1 3.033 6.788 -5.311 4 HA3 GLY 1 2HA GLY 1 3.101 6.240 -3.626 5 H SER 2 H SER 2 4.927 7.717 -3.583 6 HA SER 2 HA SER 2 7.374 7.058 -4.979 7 HB2 SER 2 1HB SER 2 8.405 8.533 -3.241 8 HB3 SER 2 2HB SER 2 7.009 9.295 -4.035 9 HG SER 2 HG SER 2 6.655 7.788 -1.667 10 H MET 3 H MET 3 9.076 5.773 -4.304 11 HA MET 3 HA MET 3 8.434 3.936 -2.047 12 HB2 MET 3 1HB MET 3 9.722 2.271 -3.224 13 HB3 MET 3 2HB MET 3 8.501 2.949 -4.309 14 HG2 MET 3 1HG MET 3 10.231 4.376 -5.362 15 HG3 MET 3 2HG MET 3 11.455 3.681 -4.280 16 HE1 MET 3 1HE MET 3 11.838 3.732 -7.428 17 HE2 MET 3 2HE MET 3 13.014 2.974 -6.321 18 HE3 MET 3 3HE MET 3 12.410 2.075 -7.732 19 H LYS 4 H LYS 4 10.153 3.037 -0.822 20 HA LYS 4 HA LYS 4 12.842 4.246 -0.976 21 HB2 LYS 4 1HB LYS 4 11.049 4.363 1.505 22 HB3 LYS 4 2HB LYS 4 12.812 4.446 1.577 23 HG2 LYS 4 1HG LYS 4 12.746 6.484 0.146 24 HG3 LYS 4 2HG LYS 4 10.971 6.447 0.233 25 HD2 LYS 4 1HD LYS 4 11.107 6.585 2.704 26 HD3 LYS 4 2HD LYS 4 12.876 6.660 2.602 27 HE2 LYS 4 1HE LYS 4 10.934 8.681 1.406 28 HE3 LYS 4 2HE LYS 4 11.883 8.902 2.892 29 HZ1 LYS 4 1HZ LYS 4 13.899 8.696 1.535 30 HZ2 LYS 4 2HZ LYS 4 12.967 9.963 1.034 31 HZ3 LYS 4 3HZ LYS 4 12.991 8.555 0.166 32 H TYR 5 H TYR 5 14.299 2.715 -0.127 33 HA TYR 5 HA TYR 5 15.135 0.695 0.339 34 HB2 TYR 5 1HB TYR 5 12.690 0.645 2.109 35 HB3 TYR 5 2HB TYR 5 13.969 -0.560 2.179 36 HD1 TYR 5 HD1 TYR 5 12.852 2.036 3.999 37 HD2 TYR 5 HD2 TYR 5 16.471 0.910 1.948 38 HE1 TYR 5 HE1 TYR 5 14.195 3.480 5.533 39 HE2 TYR 5 HE2 TYR 5 17.786 2.349 3.479 40 HH TYR 5 HH TYR 5 16.279 4.213 6.121 41 H LEU 6 H LEU 6 14.925 -1.652 0.501 42 HA LEU 6 HA LEU 6 13.666 -2.634 -1.956 43 HB2 LEU 6 1HB LEU 6 15.179 -4.108 0.223 44 HB3 LEU 6 2HB LEU 6 14.809 -4.717 -1.376 45 HG LEU 6 HG LEU 6 16.694 -2.430 -0.796 46 HD11 LEU 6 1HD1 LEU 6 17.504 -4.571 0.114 47 HD12 LEU 6 2HD1 LEU 6 18.466 -4.070 -1.291 48 HD13 LEU 6 3HD1 LEU 6 17.245 -5.346 -1.466 49 HD21 LEU 6 1HD2 LEU 6 17.451 -2.771 -3.118 50 HD22 LEU 6 2HD2 LEU 6 15.749 -2.270 -3.047 51 HD23 LEU 6 3HD2 LEU 6 16.162 -3.974 -3.356 52 H ASN 7 H ASN 7 13.324 -3.143 1.543 53 HA ASN 7 HA ASN 7 11.716 -4.091 2.841 54 HB2 ASN 7 1HB ASN 7 9.871 -3.382 0.548 55 HB3 ASN 7 2HB ASN 7 9.408 -3.648 2.231 56 HD21 ASN 7 1HD2 ASN 7 10.480 -0.021 1.022 57 HD22 ASN 7 2HD2 ASN 7 10.011 -1.340 -0.017 58 H VAL 8 H VAL 8 13.106 -6.115 1.804 59 HA VAL 8 HA VAL 8 11.079 -8.061 0.776 60 HB VAL 8 HB VAL 8 12.653 -8.988 -0.608 61 HG11 VAL 8 1HG1 VAL 8 14.255 -6.470 -0.017 62 HG12 VAL 8 2HG1 VAL 8 14.248 -7.423 -1.516 63 HG13 VAL 8 3HG1 VAL 8 12.798 -6.517 -1.057 64 HG21 VAL 8 1HG2 VAL 8 14.046 -10.047 0.974 65 HG22 VAL 8 2HG2 VAL 8 15.139 -9.078 -0.030 66 HG23 VAL 8 3HG2 VAL 8 14.674 -8.506 1.572 67 H LEU 9 H LEU 9 11.339 -10.318 1.656 68 HA LEU 9 HA LEU 9 12.039 -10.127 4.543 69 HB2 LEU 9 1HB LEU 9 10.624 -12.319 2.993 70 HB3 LEU 9 2HB LEU 9 10.886 -12.304 4.733 71 HG LEU 9 HG LEU 9 9.162 -10.333 3.187 72 HD11 LEU 9 1HD1 LEU 9 7.286 -11.489 4.278 73 HD12 LEU 9 2HD1 LEU 9 8.414 -12.620 5.062 74 HD13 LEU 9 3HD1 LEU 9 8.229 -12.622 3.290 75 HD21 LEU 9 1HD2 LEU 9 10.065 -9.227 5.148 76 HD22 LEU 9 2HD2 LEU 9 9.663 -10.621 6.175 77 HD23 LEU 9 3HD2 LEU 9 8.370 -9.637 5.452 78 H ALA 10 H ALA 10 13.559 -11.394 5.562 79 HA ALA 10 HA ALA 10 15.045 -13.370 3.895 80 HB1 ALA 10 1HB ALA 10 16.285 -11.250 3.823 81 HB2 ALA 10 2HB ALA 10 16.334 -11.206 5.595 82 HB3 ALA 10 3HB ALA 10 17.187 -12.494 4.704 83 H LYS 11 H LYS 11 15.920 -15.105 5.050 84 HA LYS 11 HA LYS 11 14.956 -15.332 7.881 85 HB2 LYS 11 1HB LYS 11 14.064 -17.024 6.413 86 HB3 LYS 11 2HB LYS 11 15.664 -17.447 5.814 87 HG2 LYS 11 1HG LYS 11 16.287 -18.444 7.887 88 HG3 LYS 11 2HG LYS 11 14.920 -17.721 8.739 89 HD2 LYS 11 1HD LYS 11 14.528 -19.742 6.518 90 HD3 LYS 11 2HD LYS 11 14.791 -20.213 8.212 91 HE2 LYS 11 1HE LYS 11 12.856 -18.688 8.838 92 HE3 LYS 11 2HE LYS 11 12.526 -18.516 7.104 93 HZ1 LYS 11 1HZ LYS 11 12.178 -20.909 7.001 94 HZ2 LYS 11 2HZ LYS 11 11.161 -20.227 8.096 95 HZ3 LYS 11 3HZ LYS 11 12.478 -21.055 8.625 96 H ALA 12 H ALA 12 16.325 -15.791 9.537 97 HA ALA 12 HA ALA 12 19.196 -15.489 9.143 98 HB1 ALA 12 1HB ALA 12 18.032 -14.653 11.188 99 HB2 ALA 12 2HB ALA 12 17.502 -16.301 11.566 100 HB3 ALA 12 3HB ALA 12 19.223 -15.895 11.617 101 H LEU 13 H LEU 13 20.658 -17.116 8.716 102 HA LEU 13 HA LEU 13 19.696 -19.945 8.849 103 HB2 LEU 13 1HB LEU 13 22.376 -18.783 8.057 104 HB3 LEU 13 2HB LEU 13 21.932 -20.465 7.958 105 HG LEU 13 HG LEU 13 21.838 -19.922 5.819 106 HD11 LEU 13 1HD1 LEU 13 19.610 -19.651 4.971 107 HD12 LEU 13 2HD1 LEU 13 19.053 -18.953 6.513 108 HD13 LEU 13 3HD1 LEU 13 19.538 -20.659 6.425 109 HD21 LEU 13 1HD2 LEU 13 22.481 -17.579 6.244 110 HD22 LEU 13 2HD2 LEU 13 20.751 -17.183 6.402 111 HD23 LEU 13 3HD2 LEU 13 21.404 -17.789 4.863 112 H TYR 14 H TYR 14 21.332 -17.615 10.698 113 HA TYR 14 HA TYR 14 22.186 -19.664 12.652 114 HB2 TYR 14 1HB TYR 14 23.928 -17.387 11.650 115 HB3 TYR 14 2HB TYR 14 24.344 -18.544 12.918 116 HD1 TYR 14 HD1 TYR 14 24.794 -20.954 12.327 117 HD2 TYR 14 HD2 TYR 14 24.149 -17.956 9.310 118 HE1 TYR 14 HE1 TYR 14 25.749 -22.479 10.607 119 HE2 TYR 14 HE2 TYR 14 25.077 -19.491 7.585 120 HH TYR 14 HH TYR 14 26.018 -21.522 7.161 121 H ASP 15 H ASP 15 22.490 -18.718 14.752 122 HA ASP 15 HA ASP 15 20.615 -16.583 15.351 123 HB2 ASP 15 1HB ASP 15 22.839 -17.824 17.036 124 HB3 ASP 15 2HB ASP 15 21.418 -16.949 17.640 125 H ASN 16 H ASN 16 21.251 -14.481 16.291 126 HA ASN 16 HA ASN 16 24.087 -13.727 15.754 127 HB2 ASN 16 1HB ASN 16 22.534 -13.065 13.821 128 HB3 ASN 16 2HB ASN 16 21.809 -11.916 14.949 129 HD21 ASN 16 1HD2 ASN 16 24.302 -9.548 14.372 130 HD22 ASN 16 2HD2 ASN 16 22.634 -9.914 14.811 131 H VAL 17 H VAL 17 24.949 -12.632 17.363 132 HA VAL 17 HA VAL 17 23.143 -11.359 19.347 133 HB VAL 17 HB VAL 17 26.050 -12.284 19.631 134 HG11 VAL 17 1HG1 VAL 17 24.128 -11.080 21.682 135 HG12 VAL 17 2HG1 VAL 17 25.746 -11.727 22.035 136 HG13 VAL 17 3HG1 VAL 17 25.578 -10.286 21.008 137 HG21 VAL 17 1HG2 VAL 17 24.499 -14.206 19.568 138 HG22 VAL 17 2HG2 VAL 17 25.111 -13.969 21.216 139 HG23 VAL 17 3HG2 VAL 17 23.464 -13.436 20.799 140 H ALA 18 H ALA 18 23.134 -9.234 19.271 141 HA ALA 18 HA ALA 18 24.675 -7.821 17.300 142 HB1 ALA 18 1HB ALA 18 22.894 -6.846 19.570 143 HB2 ALA 18 2HB ALA 18 23.540 -5.823 18.268 144 HB3 ALA 18 3HB ALA 18 22.399 -7.134 17.877 145 H GLU 19 H GLU 19 26.622 -6.937 17.513 146 HA GLU 19 HA GLU 19 27.778 -6.657 20.274 147 HB2 GLU 19 1HB GLU 19 29.093 -7.160 17.576 148 HB3 GLU 19 2HB GLU 19 29.973 -6.827 19.083 149 HG2 GLU 19 1HG GLU 19 28.951 -8.826 20.112 150 HG3 GLU 19 2HG GLU 19 28.089 -9.161 18.613 151 H SER 20 H SER 20 26.783 -5.128 17.379 152 HA SER 20 HA SER 20 28.087 -2.545 18.147 153 HB2 SER 20 1HB SER 20 28.447 -3.091 15.823 154 HB3 SER 20 2HB SER 20 26.755 -3.556 15.606 155 HG SER 20 HG SER 20 27.468 -1.367 14.874 156 HA PRO 21 HA PRO 21 24.131 -1.395 19.728 157 HB2 PRO 21 1HB PRO 21 24.194 1.327 19.478 158 HB3 PRO 21 2HB PRO 21 25.198 0.448 20.681 159 HG2 PRO 21 1HG PRO 21 25.985 1.402 17.920 160 HG3 PRO 21 2HG PRO 21 26.817 1.666 19.481 161 HD2 PRO 21 1HD PRO 21 27.598 -0.261 17.838 162 HD3 PRO 21 2HD PRO 21 27.558 -0.522 19.617 163 H ASP 22 H ASP 22 25.107 -0.779 16.443 164 HA ASP 22 HA ASP 22 22.376 0.089 15.696 165 HB2 ASP 22 1HB ASP 22 24.979 0.640 14.736 166 HB3 ASP 22 2HB ASP 22 24.200 -0.319 13.483 167 H GLU 23 H GLU 23 23.890 -2.785 16.306 168 HA GLU 23 HA GLU 23 22.934 -4.175 13.887 169 HB2 GLU 23 1HB GLU 23 25.207 -4.559 14.819 170 HB3 GLU 23 2HB GLU 23 24.469 -5.204 16.287 171 HG2 GLU 23 1HG GLU 23 23.480 -7.040 14.973 172 HG3 GLU 23 2HG GLU 23 24.182 -6.360 13.499 173 H LEU 24 H LEU 24 21.483 -5.887 13.880 174 HA LEU 24 HA LEU 24 19.563 -5.874 16.137 175 HB2 LEU 24 1HB LEU 24 19.504 -7.202 13.424 176 HB3 LEU 24 2HB LEU 24 18.254 -7.413 14.637 177 HG LEU 24 HG LEU 24 19.003 -4.778 13.337 178 HD11 LEU 24 1HD1 LEU 24 16.719 -5.014 12.315 179 HD12 LEU 24 2HD1 LEU 24 16.702 -6.692 12.896 180 HD13 LEU 24 3HD1 LEU 24 17.926 -6.168 11.726 181 HD21 LEU 24 1HD2 LEU 24 16.850 -5.531 15.351 182 HD22 LEU 24 2HD2 LEU 24 16.861 -4.012 14.431 183 HD23 LEU 24 3HD2 LEU 24 18.186 -4.359 15.558 184 H SER 25 H SER 25 18.996 -7.587 17.345 185 HA SER 25 HA SER 25 20.841 -9.934 17.266 186 HB2 SER 25 1HB SER 25 20.910 -8.553 19.348 187 HB3 SER 25 2HB SER 25 19.171 -8.838 19.568 188 HG SER 25 HG SER 25 20.361 -10.337 20.765 189 H PHE 26 H PHE 26 19.950 -11.807 16.737 190 HA PHE 26 HA PHE 26 17.082 -12.357 17.155 191 HB2 PHE 26 1HB PHE 26 16.747 -12.992 14.765 192 HB3 PHE 26 2HB PHE 26 16.909 -11.260 15.039 193 HD1 PHE 26 HD1 PHE 26 18.539 -9.989 13.953 194 HD2 PHE 26 HD2 PHE 26 18.797 -14.276 13.885 195 HE1 PHE 26 HE1 PHE 26 20.287 -9.850 12.226 196 HE2 PHE 26 HE2 PHE 26 20.575 -14.153 12.158 197 HZ PHE 26 HZ PHE 26 21.308 -11.946 11.304 198 H ARG 27 H ARG 27 16.631 -14.624 16.152 199 HA ARG 27 HA ARG 27 19.020 -16.317 16.779 200 HB2 ARG 27 1HB ARG 27 17.748 -17.807 17.986 201 HB3 ARG 27 2HB ARG 27 17.043 -16.264 18.434 202 HG2 ARG 27 1HG ARG 27 15.869 -18.418 16.653 203 HG3 ARG 27 2HG ARG 27 15.239 -17.772 18.181 204 HD2 ARG 27 1HD ARG 27 15.203 -15.511 16.878 205 HD3 ARG 27 2HD ARG 27 15.248 -16.539 15.450 206 HE ARG 27 HE ARG 27 13.006 -16.018 17.165 207 HH11 ARG 27 1HH1 ARG 27 14.324 -18.550 15.054 208 HH12 ARG 27 2HH1 ARG 27 12.734 -19.188 14.714 209 HH21 ARG 27 1HH2 ARG 27 11.053 -16.900 16.683 210 HH22 ARG 27 2HH2 ARG 27 10.927 -18.284 15.633 211 H LYS 28 H LYS 28 18.797 -18.582 15.793 212 HA LYS 28 HA LYS 28 18.733 -18.330 12.938 213 HB2 LYS 28 1HB LYS 28 20.048 -19.945 14.281 214 HB3 LYS 28 2HB LYS 28 18.574 -20.735 14.816 215 HG2 LYS 28 1HG LYS 28 18.196 -21.702 12.694 216 HG3 LYS 28 2HG LYS 28 19.388 -20.642 11.915 217 HD2 LYS 28 1HD LYS 28 21.206 -21.635 13.149 218 HD3 LYS 28 2HD LYS 28 20.091 -22.561 14.165 219 HE2 LYS 28 1HE LYS 28 19.439 -23.912 12.182 220 HE3 LYS 28 2HE LYS 28 20.600 -22.988 11.199 221 HZ1 LYS 28 1HZ LYS 28 21.643 -25.021 11.979 222 HZ2 LYS 28 2HZ LYS 28 21.277 -24.682 13.552 223 HZ3 LYS 28 3HZ LYS 28 22.360 -23.745 12.741 224 H GLY 29 H GLY 29 17.202 -18.611 11.470 225 HA2 GLY 29 1HA GLY 29 15.216 -19.459 10.587 226 HA3 GLY 29 2HA GLY 29 14.694 -19.961 12.193 227 H ASP 30 H ASP 30 15.675 -16.818 12.648 228 HA ASP 30 HA ASP 30 12.934 -15.895 12.767 229 HB2 ASP 30 1HB ASP 30 15.311 -15.111 13.925 230 HB3 ASP 30 2HB ASP 30 15.039 -13.827 12.756 231 H ILE 31 H ILE 31 12.189 -13.872 11.728 232 HA ILE 31 HA ILE 31 13.254 -13.659 8.930 233 HB ILE 31 HB ILE 31 10.342 -13.412 9.828 234 HG12 ILE 31 1HG1 ILE 31 11.002 -15.752 9.794 235 HG13 ILE 31 2HG1 ILE 31 9.931 -15.398 8.446 236 HG21 ILE 31 1HG2 ILE 31 11.681 -13.040 7.099 237 HG22 ILE 31 2HG2 ILE 31 9.920 -13.304 7.291 238 HG23 ILE 31 3HG2 ILE 31 10.690 -11.868 8.006 239 HD11 ILE 31 1HD1 ILE 31 12.186 -15.149 7.077 240 HD12 ILE 31 2HD1 ILE 31 12.829 -16.121 8.420 241 HD13 ILE 31 3HD1 ILE 31 11.487 -16.740 7.441 242 H MET 32 H MET 32 13.904 -11.683 8.387 243 HA MET 32 HA MET 32 12.711 -9.363 9.852 244 HB2 MET 32 1HB MET 32 14.922 -8.252 9.721 245 HB3 MET 32 2HB MET 32 14.915 -9.672 10.752 246 HG2 MET 32 1HG MET 32 15.716 -10.789 8.412 247 HG3 MET 32 2HG MET 32 16.400 -9.174 8.269 248 HE1 MET 32 1HE MET 32 17.303 -12.340 11.576 249 HE2 MET 32 2HE MET 32 15.671 -11.670 11.385 250 HE3 MET 32 3HE MET 32 16.389 -12.639 10.081 251 H THR 33 H THR 33 12.689 -7.409 8.709 252 HA THR 33 HA THR 33 12.274 -7.835 5.799 253 HB THR 33 HB THR 33 11.773 -5.397 7.564 254 HG1 THR 33 HG1 THR 33 10.305 -6.906 8.132 255 HG21 THR 33 1HG2 THR 33 12.036 -4.659 5.294 256 HG22 THR 33 2HG2 THR 33 10.298 -4.706 5.646 257 HG23 THR 33 3HG2 THR 33 11.033 -6.006 4.680 258 H VAL 34 H VAL 34 14.010 -7.579 4.498 259 HA VAL 34 HA VAL 34 16.307 -5.979 5.326 260 HB VAL 34 HB VAL 34 15.730 -7.230 2.632 261 HG11 VAL 34 1HG1 VAL 34 18.216 -7.151 2.372 262 HG12 VAL 34 2HG1 VAL 34 17.469 -5.543 2.461 263 HG13 VAL 34 3HG1 VAL 34 18.309 -6.208 3.884 264 HG21 VAL 34 1HG2 VAL 34 17.139 -8.330 5.070 265 HG22 VAL 34 2HG2 VAL 34 15.697 -8.982 4.256 266 HG23 VAL 34 3HG2 VAL 34 17.273 -9.033 3.450 267 H LEU 35 H LEU 35 16.387 -3.886 5.141 268 HA LEU 35 HA LEU 35 14.504 -2.499 3.339 269 HB2 LEU 35 1HB LEU 35 16.493 -1.509 5.403 270 HB3 LEU 35 2HB LEU 35 15.344 -0.496 4.540 271 HG LEU 35 HG LEU 35 14.585 -2.759 6.413 272 HD11 LEU 35 1HD1 LEU 35 15.656 -1.023 7.629 273 HD12 LEU 35 2HD1 LEU 35 13.903 -0.878 7.895 274 HD13 LEU 35 3HD1 LEU 35 14.726 0.237 6.777 275 HD21 LEU 35 1HD2 LEU 35 12.907 -0.624 5.045 276 HD22 LEU 35 2HD2 LEU 35 12.328 -1.709 6.325 277 HD23 LEU 35 3HD2 LEU 35 12.833 -2.374 4.766 278 H GLU 36 H GLU 36 18.053 -2.760 3.975 279 HA GLU 36 HA GLU 36 18.424 -2.528 1.076 280 HB2 GLU 36 1HB GLU 36 19.784 -0.648 0.968 281 HB3 GLU 36 2HB GLU 36 18.396 -0.149 1.919 282 HG2 GLU 36 1HG GLU 36 19.726 -0.426 3.929 283 HG3 GLU 36 2HG GLU 36 21.122 -0.753 2.900 284 H ARG 37 H ARG 37 20.959 -2.590 0.650 285 HA ARG 37 HA ARG 37 22.166 -4.437 2.671 286 HB2 ARG 37 1HB ARG 37 22.326 -4.683 -0.340 287 HB3 ARG 37 2HB ARG 37 23.104 -5.745 0.831 288 HG2 ARG 37 1HG ARG 37 20.773 -6.383 1.640 289 HG3 ARG 37 2HG ARG 37 20.140 -5.493 0.240 290 HD2 ARG 37 1HD ARG 37 21.953 -7.911 0.246 291 HD3 ARG 37 2HD ARG 37 20.315 -7.791 -0.422 292 HE ARG 37 HE ARG 37 21.823 -5.853 -1.754 293 HH11 ARG 37 1HH1 ARG 37 22.112 -9.348 -1.405 294 HH12 ARG 37 2HH1 ARG 37 22.938 -9.521 -2.933 295 HH21 ARG 37 1HH2 ARG 37 22.885 -6.142 -3.665 296 HH22 ARG 37 2HH2 ARG 37 23.376 -7.730 -4.180 297 H ASP 38 H ASP 38 24.437 -4.274 2.746 298 HA ASP 38 HA ASP 38 26.404 -3.177 2.748 299 HB2 ASP 38 1HB ASP 38 25.694 -2.352 -0.079 300 HB3 ASP 38 2HB ASP 38 27.318 -2.526 0.622 301 H THR 39 H THR 39 24.234 -2.084 3.890 302 HA THR 39 HA THR 39 23.614 0.616 3.229 303 HB THR 39 HB THR 39 22.114 -0.745 4.591 304 HG1 THR 39 HG1 THR 39 21.880 1.383 5.062 305 HG21 THR 39 1HG2 THR 39 22.626 -1.281 6.902 306 HG22 THR 39 2HG2 THR 39 24.315 -0.819 6.625 307 HG23 THR 39 3HG2 THR 39 23.593 -2.178 5.734 308 H GLN 40 H GLN 40 24.246 2.540 4.098 309 HA GLN 40 HA GLN 40 25.742 4.097 4.804 310 HB2 GLN 40 1HB GLN 40 26.650 2.246 6.995 311 HB3 GLN 40 2HB GLN 40 26.533 3.999 6.999 312 HG2 GLN 40 1HG GLN 40 23.976 3.565 6.704 313 HG3 GLN 40 2HG GLN 40 24.359 1.937 7.276 314 HE21 GLN 40 1HE2 GLN 40 24.377 2.883 10.624 315 HE22 GLN 40 2HE2 GLN 40 24.281 1.627 9.418 316 H GLY 41 H GLY 41 26.766 1.675 3.069 317 HA2 GLY 41 1HA GLY 41 28.771 1.483 1.890 318 HA3 GLY 41 2HA GLY 41 29.541 2.632 3.001 319 H LEU 42 H LEU 42 27.762 0.146 4.586 320 HA LEU 42 HA LEU 42 30.306 -1.063 5.482 321 HB2 LEU 42 1HB LEU 42 27.434 -1.493 6.344 322 HB3 LEU 42 2HB LEU 42 28.856 -2.117 7.160 323 HG LEU 42 HG LEU 42 28.268 0.838 6.849 324 HD11 LEU 42 1HD1 LEU 42 27.478 0.725 9.179 325 HD12 LEU 42 2HD1 LEU 42 27.609 -1.054 9.120 326 HD13 LEU 42 3HD1 LEU 42 26.454 -0.200 8.057 327 HD21 LEU 42 1HD2 LEU 42 29.811 1.027 8.763 328 HD22 LEU 42 2HD2 LEU 42 30.594 0.336 7.322 329 HD23 LEU 42 3HD2 LEU 42 30.106 -0.726 8.672 330 H ASP 43 H ASP 43 30.924 -2.298 3.711 331 HA ASP 43 HA ASP 43 29.243 -3.868 2.077 332 HB2 ASP 43 1HB ASP 43 32.150 -3.999 2.838 333 HB3 ASP 43 2HB ASP 43 31.427 -5.380 1.998 334 H GLY 44 H GLY 44 28.123 -5.669 2.317 335 HA2 GLY 44 1HA GLY 44 27.721 -7.841 3.082 336 HA3 GLY 44 2HA GLY 44 29.024 -7.682 4.267 337 H TRP 45 H TRP 45 27.495 -4.950 5.047 338 HA TRP 45 HA TRP 45 25.781 -6.322 7.021 339 HB2 TRP 45 1HB TRP 45 26.836 -3.532 6.575 340 HB3 TRP 45 2HB TRP 45 25.615 -3.848 7.778 341 HD1 TRP 45 HD1 TRP 45 29.326 -4.040 7.243 342 HE1 TRP 45 HE1 TRP 45 30.536 -4.992 9.266 343 HE3 TRP 45 HE3 TRP 45 25.223 -5.774 9.696 344 HZ2 TRP 45 HZ2 TRP 45 29.782 -6.415 11.654 345 HZ3 TRP 45 HZ3 TRP 45 25.514 -6.928 11.877 346 HH2 TRP 45 HH2 TRP 45 27.764 -7.249 12.844 347 H TRP 46 H TRP 46 23.597 -6.390 6.851 348 HA TRP 46 HA TRP 46 22.370 -4.790 4.632 349 HB2 TRP 46 1HB TRP 46 21.516 -7.441 5.866 350 HB3 TRP 46 2HB TRP 46 20.615 -6.564 4.619 351 HD1 TRP 46 HD1 TRP 46 24.061 -6.151 3.552 352 HE1 TRP 46 HE1 TRP 46 24.844 -7.846 1.853 353 HE3 TRP 46 HE3 TRP 46 20.270 -9.545 4.183 354 HZ2 TRP 46 HZ2 TRP 46 23.967 -10.408 0.895 355 HZ3 TRP 46 HZ3 TRP 46 20.339 -11.660 2.856 356 HH2 TRP 46 HH2 TRP 46 22.157 -12.062 1.206 357 H LEU 47 H LEU 47 20.929 -3.271 5.198 358 HA LEU 47 HA LEU 47 20.268 -2.877 8.020 359 HB2 LEU 47 1HB LEU 47 20.562 -0.977 6.451 360 HB3 LEU 47 2HB LEU 47 19.241 -1.585 5.470 361 HG LEU 47 HG LEU 47 17.672 -1.141 7.291 362 HD11 LEU 47 1HD1 LEU 47 18.409 0.253 9.216 363 HD12 LEU 47 2HD1 LEU 47 20.097 -0.058 8.744 364 HD13 LEU 47 3HD1 LEU 47 19.031 -1.400 9.243 365 HD21 LEU 47 1HD2 LEU 47 17.730 1.312 7.164 366 HD22 LEU 47 2HD2 LEU 47 18.093 0.572 5.594 367 HD23 LEU 47 3HD2 LEU 47 19.412 1.244 6.576 368 H CYS 48 H CYS 48 18.657 -3.921 9.029 369 HA CYS 48 HA CYS 48 16.299 -4.671 7.384 370 HB2 CYS 48 1HB CYS 48 17.513 -6.515 9.468 371 HB3 CYS 48 2HB CYS 48 16.194 -6.853 8.351 372 HG CYS 48 HG CYS 48 19.378 -6.279 7.674 373 H SER 49 H SER 49 14.480 -5.395 8.773 374 HA SER 49 HA SER 49 14.447 -3.891 11.351 375 HB2 SER 49 1HB SER 49 12.697 -2.654 10.682 376 HB3 SER 49 2HB SER 49 13.135 -3.114 9.042 377 HG SER 49 HG SER 49 10.956 -3.556 9.427 378 H LEU 50 H LEU 50 13.793 -5.029 13.024 379 HA LEU 50 HA LEU 50 12.204 -7.518 12.633 380 HB2 LEU 50 1HB LEU 50 14.642 -8.142 12.515 381 HB3 LEU 50 2HB LEU 50 14.877 -7.371 14.085 382 HG LEU 50 HG LEU 50 12.811 -9.177 14.544 383 HD11 LEU 50 1HD1 LEU 50 13.490 -11.269 13.718 384 HD12 LEU 50 2HD1 LEU 50 14.946 -10.570 12.972 385 HD13 LEU 50 3HD1 LEU 50 13.334 -10.163 12.340 386 HD21 LEU 50 1HD2 LEU 50 15.787 -9.385 15.026 387 HD22 LEU 50 2HD2 LEU 50 14.560 -10.404 15.801 388 HD23 LEU 50 3HD2 LEU 50 14.574 -8.655 16.097 389 H HIS 51 H HIS 51 10.764 -7.727 14.295 390 HA HIS 51 HA HIS 51 9.571 -7.235 16.185 391 HB2 HIS 51 1HB HIS 51 12.333 -6.867 17.406 392 HB3 HIS 51 2HB HIS 51 10.828 -7.099 18.301 393 HD1 HIS 51 HD1 HIS 51 13.162 -9.118 18.652 394 HD2 HIS 51 HD2 HIS 51 10.034 -9.590 15.944 395 HE1 HIS 51 HE1 HIS 51 12.975 -11.591 18.162 396 H GLY 52 H GLY 52 10.197 -4.941 14.392 397 HA2 GLY 52 1HA GLY 52 9.482 -2.733 14.476 398 HA3 GLY 52 2HA GLY 52 9.307 -2.868 16.225 399 H ARG 53 H ARG 53 12.424 -3.879 15.221 400 HA ARG 53 HA ARG 53 13.533 -1.177 15.882 401 HB2 ARG 53 1HB ARG 53 13.738 -3.401 17.424 402 HB3 ARG 53 2HB ARG 53 15.080 -3.717 16.338 403 HG2 ARG 53 1HG ARG 53 14.801 -1.099 17.878 404 HG3 ARG 53 2HG ARG 53 15.581 -2.532 18.556 405 HD2 ARG 53 1HD ARG 53 17.085 -2.511 16.478 406 HD3 ARG 53 2HD ARG 53 16.485 -0.866 16.203 407 HE ARG 53 HE ARG 53 17.345 -1.053 18.887 408 HH11 ARG 53 1HH1 ARG 53 18.844 -1.101 15.671 409 HH12 ARG 53 2HH1 ARG 53 20.384 -0.563 16.312 410 HH21 ARG 53 1HH2 ARG 53 19.326 -0.335 19.574 411 HH22 ARG 53 2HH2 ARG 53 20.642 -0.142 18.438 412 H GLN 54 H GLN 54 15.084 -0.443 14.471 413 HA GLN 54 HA GLN 54 15.578 -2.127 12.046 414 HB2 GLN 54 1HB GLN 54 15.048 0.698 12.542 415 HB3 GLN 54 2HB GLN 54 16.567 0.479 11.657 416 HG2 GLN 54 1HG GLN 54 15.424 -0.780 9.943 417 HG3 GLN 54 2HG GLN 54 13.915 -0.735 10.864 418 HE21 GLN 54 1HE2 GLN 54 15.182 2.856 9.301 419 HE22 GLN 54 2HE2 GLN 54 16.346 1.760 9.994 420 H GLY 55 H GLY 55 17.722 -2.479 11.353 421 HA2 GLY 55 1HA GLY 55 19.959 -1.115 12.433 422 HA3 GLY 55 2HA GLY 55 19.700 -2.582 13.397 423 H ILE 56 H ILE 56 22.059 -2.403 12.126 424 HA ILE 56 HA ILE 56 21.856 -3.643 9.465 425 HB ILE 56 HB ILE 56 24.331 -3.635 9.453 426 HG12 ILE 56 1HG1 ILE 56 24.055 -2.685 12.361 427 HG13 ILE 56 2HG1 ILE 56 24.648 -4.264 11.857 428 HG21 ILE 56 1HG2 ILE 56 23.416 -0.992 10.734 429 HG22 ILE 56 2HG2 ILE 56 24.634 -1.259 9.459 430 HG23 ILE 56 3HG2 ILE 56 22.913 -1.492 9.093 431 HD11 ILE 56 1HD1 ILE 56 25.972 -1.563 11.451 432 HD12 ILE 56 2HD1 ILE 56 26.542 -2.937 12.422 433 HD13 ILE 56 3HD1 ILE 56 26.520 -3.056 10.650 434 H VAL 57 H VAL 57 22.750 -5.693 8.956 435 HA VAL 57 HA VAL 57 22.934 -7.665 11.187 436 HB VAL 57 HB VAL 57 21.195 -7.950 8.720 437 HG11 VAL 57 1HG1 VAL 57 20.458 -10.078 9.730 438 HG12 VAL 57 2HG1 VAL 57 22.114 -10.052 9.103 439 HG13 VAL 57 3HG1 VAL 57 21.822 -9.908 10.848 440 HG21 VAL 57 1HG2 VAL 57 20.060 -6.544 10.311 441 HG22 VAL 57 2HG2 VAL 57 19.310 -8.157 10.370 442 HG23 VAL 57 3HG2 VAL 57 20.476 -7.669 11.627 443 HA PRO 58 HA PRO 58 26.178 -8.782 8.352 444 HB2 PRO 58 1HB PRO 58 26.864 -11.269 9.264 445 HB3 PRO 58 2HB PRO 58 27.273 -9.757 10.149 446 HG2 PRO 58 1HG PRO 58 24.981 -11.648 10.606 447 HG3 PRO 58 2HG PRO 58 26.138 -10.969 11.795 448 HD2 PRO 58 1HD PRO 58 23.673 -9.917 11.382 449 HD3 PRO 58 2HD PRO 58 25.079 -8.898 11.782 450 H GLY 59 H GLY 59 25.617 -9.194 6.286 451 HA2 GLY 59 1HA GLY 59 23.413 -10.817 5.530 452 HA3 GLY 59 2HA GLY 59 24.698 -10.235 4.461 453 H ASN 60 H ASN 60 26.691 -11.624 6.263 454 HA ASN 60 HA ASN 60 26.924 -14.076 4.843 455 HB2 ASN 60 1HB ASN 60 28.576 -12.565 6.392 456 HB3 ASN 60 2HB ASN 60 28.201 -13.872 7.529 457 HD21 ASN 60 1HD2 ASN 60 29.683 -16.376 5.324 458 HD22 ASN 60 2HD2 ASN 60 28.209 -16.132 6.249 459 H ARG 61 H ARG 61 24.933 -13.255 7.548 460 HA ARG 61 HA ARG 61 24.528 -16.170 8.146 461 HB2 ARG 61 1HB ARG 61 24.086 -13.722 9.901 462 HB3 ARG 61 2HB ARG 61 23.653 -15.374 10.351 463 HG2 ARG 61 1HG ARG 61 26.010 -16.057 10.235 464 HG3 ARG 61 2HG ARG 61 26.481 -14.423 9.745 465 HD2 ARG 61 1HD ARG 61 25.659 -13.532 11.886 466 HD3 ARG 61 2HD ARG 61 25.143 -15.159 12.371 467 HE ARG 61 HE ARG 61 27.877 -15.336 11.674 468 HH11 ARG 61 1HH1 ARG 61 25.989 -13.683 14.187 469 HH12 ARG 61 2HH1 ARG 61 27.305 -13.781 15.330 470 HH21 ARG 61 1HH2 ARG 61 29.463 -15.406 13.165 471 HH22 ARG 61 2HH2 ARG 61 29.238 -14.727 14.766 472 H LEU 62 H LEU 62 23.245 -13.969 6.187 473 HA LEU 62 HA LEU 62 20.425 -14.674 6.896 474 HB2 LEU 62 1HB LEU 62 21.703 -12.154 5.981 475 HB3 LEU 62 2HB LEU 62 20.171 -12.567 5.223 476 HG LEU 62 HG LEU 62 20.635 -12.169 8.173 477 HD11 LEU 62 1HD1 LEU 62 19.228 -10.175 7.816 478 HD12 LEU 62 2HD1 LEU 62 19.118 -10.568 6.087 479 HD13 LEU 62 3HD1 LEU 62 20.684 -10.120 6.804 480 HD21 LEU 62 1HD2 LEU 62 18.122 -12.931 6.686 481 HD22 LEU 62 2HD2 LEU 62 18.121 -12.223 8.306 482 HD23 LEU 62 3HD2 LEU 62 18.897 -13.778 8.038 483 H LYS 63 H LYS 63 18.960 -15.097 5.344 484 HA LYS 63 HA LYS 63 20.020 -15.425 2.554 485 HB2 LYS 63 1HB LYS 63 19.826 -17.677 3.505 486 HB3 LYS 63 2HB LYS 63 18.183 -17.340 4.048 487 HG2 LYS 63 1HG LYS 63 17.400 -17.220 1.749 488 HG3 LYS 63 2HG LYS 63 19.055 -17.316 1.134 489 HD2 LYS 63 1HD LYS 63 18.064 -19.457 0.831 490 HD3 LYS 63 2HD LYS 63 19.227 -19.614 2.156 491 HE2 LYS 63 1HE LYS 63 17.383 -19.494 3.796 492 HE3 LYS 63 2HE LYS 63 16.217 -19.271 2.471 493 HZ1 LYS 63 1HZ LYS 63 16.310 -21.589 3.162 494 HZ2 LYS 63 2HZ LYS 63 17.933 -21.666 2.866 495 HZ3 LYS 63 3HZ LYS 63 16.871 -21.458 1.619 496 H ILE 64 H ILE 64 19.004 -14.146 1.240 497 HA ILE 64 HA ILE 64 16.529 -12.828 1.890 498 HB ILE 64 HB ILE 64 17.820 -13.259 -0.858 499 HG12 ILE 64 1HG1 ILE 64 19.389 -12.181 0.735 500 HG13 ILE 64 2HG1 ILE 64 18.917 -11.138 -0.591 501 HG21 ILE 64 1HG2 ILE 64 16.612 -11.094 -1.386 502 HG22 ILE 64 2HG2 ILE 64 15.548 -12.496 -1.114 503 HG23 ILE 64 3HG2 ILE 64 15.761 -11.283 0.162 504 HD11 ILE 64 1HD1 ILE 64 19.020 -9.835 1.452 505 HD12 ILE 64 2HD1 ILE 64 17.333 -9.923 0.930 506 HD13 ILE 64 3HD1 ILE 64 17.913 -10.953 2.267 507 H LEU 65 H LEU 65 14.495 -13.565 1.678 508 HA LEU 65 HA LEU 65 14.139 -16.241 0.462 509 HB2 LEU 65 1HB LEU 65 12.194 -14.458 1.963 510 HB3 LEU 65 2HB LEU 65 11.892 -16.122 1.453 511 HG LEU 65 HG LEU 65 13.985 -15.224 3.474 512 HD11 LEU 65 1HD1 LEU 65 12.535 -16.337 5.096 513 HD12 LEU 65 2HD1 LEU 65 11.367 -16.725 3.810 514 HD13 LEU 65 3HD1 LEU 65 11.676 -15.034 4.264 515 HD21 LEU 65 1HD2 LEU 65 14.834 -17.202 2.369 516 HD22 LEU 65 2HD2 LEU 65 13.239 -17.999 2.461 517 HD23 LEU 65 3HD2 LEU 65 14.180 -17.698 3.940 518 H VAL 66 H VAL 66 14.673 -15.316 -1.662 519 HA VAL 66 HA VAL 66 12.974 -13.412 -2.957 520 HB VAL 66 HB VAL 66 14.515 -15.698 -4.312 521 HG11 VAL 66 1HG1 VAL 66 13.607 -12.941 -5.262 522 HG12 VAL 66 2HG1 VAL 66 14.703 -14.002 -6.175 523 HG13 VAL 66 3HG1 VAL 66 13.032 -14.512 -5.854 524 HG21 VAL 66 1HG2 VAL 66 16.069 -14.527 -2.825 525 HG22 VAL 66 2HG2 VAL 66 16.398 -14.063 -4.503 526 HG23 VAL 66 3HG2 VAL 66 15.513 -12.951 -3.445 527 H GLY 67 H GLY 67 12.751 -16.907 -2.497 528 HA2 GLY 67 1HA GLY 67 10.911 -18.278 -2.652 529 HA3 GLY 67 2HA GLY 67 9.930 -16.873 -3.063 530 H MET 68 H MET 68 12.369 -16.830 -5.257 531 HA MET 68 HA MET 68 10.913 -18.592 -7.190 532 HB2 MET 68 1HB MET 68 10.287 -16.179 -7.386 533 HB3 MET 68 2HB MET 68 11.985 -15.791 -7.664 534 HG2 MET 68 1HG MET 68 11.924 -17.198 -9.726 535 HG3 MET 68 2HG MET 68 10.192 -17.471 -9.440 536 HE1 MET 68 1HE MET 68 12.963 -15.152 -10.784 537 HE2 MET 68 2HE MET 68 12.213 -13.539 -10.836 538 HE3 MET 68 3HE MET 68 12.679 -14.248 -9.276 539 H TYR 69 H TYR 69 13.970 -16.988 -6.336 540 HA TYR 69 HA TYR 69 15.374 -17.893 -8.661 541 HB2 TYR 69 1HB TYR 69 15.806 -16.212 -6.339 542 HB3 TYR 69 2HB TYR 69 17.223 -17.215 -6.635 543 HD1 TYR 69 HD1 TYR 69 14.958 -14.690 -8.193 544 HD2 TYR 69 HD2 TYR 69 18.671 -16.841 -8.530 545 HE1 TYR 69 HE1 TYR 69 15.688 -13.159 -10.021 546 HE2 TYR 69 HE2 TYR 69 19.393 -15.294 -10.347 547 HH TYR 69 HH TYR 69 18.838 -13.519 -11.656 548 H ASP 70 H ASP 70 14.536 -19.748 -6.019 549 HA ASP 70 HA ASP 70 15.846 -21.144 -4.611 550 HB2 ASP 70 1HB ASP 70 14.214 -22.302 -6.096 551 HB3 ASP 70 2HB ASP 70 15.565 -22.729 -7.164 552 H LYS 71 H LYS 71 17.940 -19.989 -4.523 553 HA LYS 71 HA LYS 71 20.108 -20.809 -6.205 554 HB2 LYS 71 1HB LYS 71 19.945 -18.771 -4.653 555 HB3 LYS 71 2HB LYS 71 20.378 -19.868 -3.330 556 HG2 LYS 71 1HG LYS 71 22.508 -20.380 -4.405 557 HG3 LYS 71 2HG LYS 71 22.046 -19.439 -5.837 558 HD2 LYS 71 1HD LYS 71 21.945 -17.391 -4.447 559 HD3 LYS 71 2HD LYS 71 22.413 -18.339 -3.021 560 HE2 LYS 71 1HE LYS 71 24.393 -17.231 -3.851 561 HE3 LYS 71 2HE LYS 71 24.549 -18.964 -4.211 562 HZ1 LYS 71 1HZ LYS 71 23.835 -18.467 -6.492 563 HZ2 LYS 71 2HZ LYS 71 25.197 -17.626 -6.106 564 HZ3 LYS 71 3HZ LYS 71 23.737 -16.858 -6.146 565 H LYS 72 H LYS 72 18.543 -22.220 -3.446 566 HA LYS 72 HA LYS 72 19.621 -24.776 -3.923 567 HB2 LYS 72 1HB LYS 72 21.356 -23.262 -2.353 568 HB3 LYS 72 2HB LYS 72 20.448 -24.193 -1.169 569 HG2 LYS 72 1HG LYS 72 21.283 -26.211 -1.897 570 HG3 LYS 72 2HG LYS 72 21.512 -25.657 -3.554 571 HD2 LYS 72 1HD LYS 72 23.249 -24.785 -1.209 572 HD3 LYS 72 2HD LYS 72 23.643 -26.122 -2.305 573 HE2 LYS 72 1HE LYS 72 23.380 -23.170 -3.043 574 HE3 LYS 72 2HE LYS 72 24.861 -24.137 -3.013 575 HZ1 LYS 72 1HZ LYS 72 24.176 -23.990 -5.258 576 HZ2 LYS 72 2HZ LYS 72 22.602 -24.343 -4.915 577 HZ3 LYS 72 3HZ LYS 72 23.760 -25.521 -4.808 578 HA PRO 73 HA PRO 73 15.715 -24.932 -1.919 579 HB2 PRO 73 1HB PRO 73 15.223 -27.612 -1.889 580 HB3 PRO 73 2HB PRO 73 15.301 -26.670 -3.412 581 HG2 PRO 73 1HG PRO 73 17.437 -28.342 -2.121 582 HG3 PRO 73 2HG PRO 73 16.863 -28.355 -3.818 583 HD2 PRO 73 1HD PRO 73 19.090 -26.984 -3.026 584 HD3 PRO 73 2HD PRO 73 18.031 -26.378 -4.339 585 H ALA 74 H ALA 74 18.487 -26.353 -0.488 586 HA ALA 74 HA ALA 74 19.111 -26.918 1.614 587 HB1 ALA 74 1HB ALA 74 17.951 -25.876 3.567 588 HB2 ALA 74 2HB ALA 74 18.356 -24.689 2.300 589 HB3 ALA 74 3HB ALA 74 16.685 -25.266 2.478 590 H GLY 75 H GLY 75 15.793 -27.014 2.811 591 HA2 GLY 75 1HA GLY 75 14.391 -28.835 3.188 592 HA3 GLY 75 2HA GLY 75 15.470 -29.844 2.206 593 H SER 76 H SER 76 15.101 -31.471 3.878 594 HA SER 76 HA SER 76 16.428 -30.995 6.486 595 HB2 SER 76 1HB SER 76 15.493 -33.280 6.971 596 HB3 SER 76 2HB SER 76 14.248 -32.086 6.539 597 HG SER 76 HG SER 76 15.443 -33.912 4.707 598 H GLY 77 H GLY 77 18.102 -32.476 7.220 599 HA2 GLY 77 1HA GLY 77 19.184 -34.455 5.407 600 HA3 GLY 77 2HA GLY 77 20.203 -33.000 5.511 601 H GLY 78 H GLY 78 21.383 -35.248 6.413 602 HA2 GLY 78 1HA GLY 78 21.321 -34.861 9.371 603 HA3 GLY 78 2HA GLY 78 21.264 -36.496 8.680 604 H SER 79 H SER 79 23.223 -33.592 9.129 605 HA SER 79 HA SER 79 25.639 -35.164 8.317 606 HB2 SER 79 1HB SER 79 25.182 -32.173 8.017 607 HB3 SER 79 2HB SER 79 26.575 -33.109 7.426 608 HG SER 79 HG SER 79 25.107 -34.261 6.086 609 H GLY 80 H GLY 80 24.312 -34.605 11.024 610 HA2 GLY 80 1HA GLY 80 26.046 -32.746 12.386 611 HA3 GLY 80 2HA GLY 80 24.868 -33.833 13.123 612 H SER 81 H SER 81 27.670 -34.771 11.105 613 HA SER 81 HA SER 81 28.485 -36.813 12.942 614 HB2 SER 81 1HB SER 81 30.139 -35.436 10.790 615 HB3 SER 81 2HB SER 81 30.393 -37.063 11.460 616 HG SER 81 HG SER 81 28.573 -37.760 10.448 617 H GLY 82 H GLY 82 29.235 -33.391 12.708 618 HA2 GLY 82 1HA GLY 82 31.553 -33.566 14.493 619 HA3 GLY 82 2HA GLY 82 30.787 -32.096 13.873 620 H LEU 83 H LEU 83 29.457 -34.856 15.714 621 HA LEU 83 HA LEU 83 28.116 -34.932 17.550 622 HB2 LEU 83 1HB LEU 83 30.534 -33.665 18.250 623 HB3 LEU 83 2HB LEU 83 29.284 -32.772 19.098 624 HG LEU 83 HG LEU 83 29.641 -35.784 19.236 625 HD11 LEU 83 1HD1 LEU 83 30.458 -33.626 21.219 626 HD12 LEU 83 2HD1 LEU 83 31.565 -34.579 20.207 627 HD13 LEU 83 3HD1 LEU 83 30.598 -35.375 21.461 628 HD21 LEU 83 1HD2 LEU 83 27.348 -35.121 19.740 629 HD22 LEU 83 2HD2 LEU 83 27.924 -33.882 20.878 630 HD23 LEU 83 3HD2 LEU 83 28.169 -35.611 21.236 631 H THR 84 H THR 84 27.226 -33.283 15.431 632 HA THR 84 HA THR 84 25.522 -31.910 14.867 633 HB THR 84 HB THR 84 24.338 -31.599 17.579 634 HG1 THR 84 HG1 THR 84 25.249 -33.633 17.816 635 HG21 THR 84 1HG2 THR 84 23.326 -32.814 14.966 636 HG22 THR 84 2HG2 THR 84 23.101 -31.117 15.466 637 HG23 THR 84 3HG2 THR 84 22.343 -32.432 16.398 638 H ASP 85 H ASP 85 28.043 -30.629 16.225 639 HA ASP 85 HA ASP 85 27.017 -28.103 17.222 640 HB2 ASP 85 1HB ASP 85 29.292 -29.133 17.714 641 HB3 ASP 85 2HB ASP 85 29.763 -28.687 16.065 642 H GLU 86 H GLU 86 26.325 -26.374 16.074 643 HA GLU 86 HA GLU 86 27.062 -26.197 13.177 644 HB2 GLU 86 1HB GLU 86 24.387 -25.625 14.473 645 HB3 GLU 86 2HB GLU 86 24.858 -24.973 12.900 646 HG2 GLU 86 1HG GLU 86 25.262 -27.287 12.100 647 HG3 GLU 86 2HG GLU 86 24.604 -27.882 13.627 648 H LEU 87 H LEU 87 28.843 -25.013 14.081 649 HA LEU 87 HA LEU 87 28.456 -22.496 15.418 650 HB2 LEU 87 1HB LEU 87 30.774 -23.479 13.717 651 HB3 LEU 87 2HB LEU 87 30.805 -22.032 14.723 652 HG LEU 87 HG LEU 87 30.468 -24.868 15.751 653 HD11 LEU 87 1HD1 LEU 87 32.865 -22.991 15.845 654 HD12 LEU 87 2HD1 LEU 87 32.710 -24.420 14.798 655 HD13 LEU 87 3HD1 LEU 87 32.763 -24.616 16.558 656 HD21 LEU 87 1HD2 LEU 87 30.919 -23.829 17.977 657 HD22 LEU 87 2HD2 LEU 87 29.403 -23.280 17.260 658 HD23 LEU 87 3HD2 LEU 87 30.830 -22.214 17.218 659 H ALA 88 H ALA 88 28.356 -20.438 14.676 660 HA ALA 88 HA ALA 88 27.350 -20.141 11.970 661 HB1 ALA 88 1HB ALA 88 26.335 -18.978 13.934 662 HB2 ALA 88 2HB ALA 88 27.829 -18.027 14.115 663 HB3 ALA 88 3HB ALA 88 26.828 -17.851 12.653 664 HA PRO 89 HA PRO 89 31.173 -18.719 10.240 665 HB2 PRO 89 1HB PRO 89 30.342 -17.194 8.140 666 HB3 PRO 89 2HB PRO 89 30.089 -18.971 8.167 667 HG2 PRO 89 1HG PRO 89 28.180 -16.786 8.941 668 HG3 PRO 89 2HG PRO 89 27.929 -18.144 7.796 669 HD2 PRO 89 1HD PRO 89 27.090 -18.289 10.352 670 HD3 PRO 89 2HD PRO 89 27.779 -19.724 9.515 671 HA PRO 90 HA PRO 90 32.045 -14.753 11.997 672 HB2 PRO 90 1HB PRO 90 33.516 -14.014 9.472 673 HB3 PRO 90 2HB PRO 90 34.093 -13.985 11.171 674 HG2 PRO 90 1HG PRO 90 34.923 -15.886 9.540 675 HG3 PRO 90 2HG PRO 90 34.418 -16.308 11.207 676 HD2 PRO 90 1HD PRO 90 32.850 -16.555 8.632 677 HD3 PRO 90 2HD PRO 90 33.089 -17.762 9.947 678 H LYS 91 H LYS 91 31.679 -12.451 11.818 679 HA LYS 91 HA LYS 91 29.690 -11.713 9.722 680 HB2 LYS 91 1HB LYS 91 29.187 -9.788 11.233 681 HB3 LYS 91 2HB LYS 91 28.845 -11.350 11.976 682 HG2 LYS 91 1HG LYS 91 30.871 -11.211 13.325 683 HG3 LYS 91 2HG LYS 91 31.372 -9.738 12.482 684 HD2 LYS 91 1HD LYS 91 30.460 -9.120 14.629 685 HD3 LYS 91 2HD LYS 91 29.354 -8.565 13.365 686 HE2 LYS 91 1HE LYS 91 27.816 -10.428 13.832 687 HE3 LYS 91 2HE LYS 91 28.983 -11.124 14.983 688 HZ1 LYS 91 1HZ LYS 91 27.291 -9.877 16.147 689 HZ2 LYS 91 2HZ LYS 91 27.607 -8.512 15.280 690 HZ3 LYS 91 3HZ LYS 91 28.748 -9.121 16.326 691 HA PRO 92 HA PRO 92 32.948 -9.276 8.009 692 HB2 PRO 92 1HB PRO 92 31.651 -7.090 6.949 693 HB3 PRO 92 2HB PRO 92 31.545 -8.728 6.228 694 HG2 PRO 92 1HG PRO 92 29.634 -7.352 8.058 695 HG3 PRO 92 2HG PRO 92 29.312 -8.225 6.542 696 HD2 PRO 92 1HD PRO 92 28.968 -9.341 8.975 697 HD3 PRO 92 2HD PRO 92 29.533 -10.301 7.568 698 HA PRO 93 HA PRO 93 33.987 -6.414 11.181 699 HB2 PRO 93 1HB PRO 93 35.825 -4.751 10.047 700 HB3 PRO 93 2HB PRO 93 36.149 -6.508 10.257 701 HG2 PRO 93 1HG PRO 93 35.118 -5.054 7.834 702 HG3 PRO 93 2HG PRO 93 36.513 -6.177 7.962 703 HD2 PRO 93 1HD PRO 93 34.090 -7.008 7.118 704 HD3 PRO 93 2HD PRO 93 35.120 -8.053 8.155 705 H LEU 94 H LEU 94 34.251 -4.010 11.744 706 HA LEU 94 HA LEU 94 32.383 -2.291 10.205 707 HB2 LEU 94 1HB LEU 94 32.326 -2.998 13.147 708 HB3 LEU 94 2HB LEU 94 31.749 -1.433 12.604 709 HG LEU 94 HG LEU 94 30.600 -4.106 11.777 710 HD11 LEU 94 1HD1 LEU 94 29.476 -1.869 13.467 711 HD12 LEU 94 2HD1 LEU 94 30.176 -3.382 14.110 712 HD13 LEU 94 3HD1 LEU 94 28.710 -3.432 13.112 713 HD21 LEU 94 1HD2 LEU 94 29.694 -1.278 11.117 714 HD22 LEU 94 2HD2 LEU 94 28.787 -2.761 10.773 715 HD23 LEU 94 3HD2 LEU 94 30.330 -2.478 9.969 716 HA PRO 95 HA PRO 95 35.568 0.727 10.952 717 HB2 PRO 95 1HB PRO 95 34.210 3.058 10.712 718 HB3 PRO 95 2HB PRO 95 34.386 1.946 9.325 719 HG2 PRO 95 1HG PRO 95 32.088 2.224 11.254 720 HG3 PRO 95 2HG PRO 95 32.048 2.243 9.460 721 HD2 PRO 95 1HD PRO 95 31.527 -0.007 10.913 722 HD3 PRO 95 2HD PRO 95 32.346 -0.075 9.317 723 H GLU 96 H GLU 96 36.049 2.705 12.336 724 HA GLU 96 HA GLU 96 35.195 2.162 15.094 725 HB2 GLU 96 1HB GLU 96 37.218 4.110 13.937 726 HB3 GLU 96 2HB GLU 96 36.937 3.846 15.666 727 HG2 GLU 96 1HG GLU 96 37.592 1.481 15.420 728 HG3 GLU 96 2HG GLU 96 37.911 1.741 13.694 729 H GLY 97 H GLY 97 32.975 2.947 13.851 730 HA2 GLY 97 1HA GLY 97 31.285 4.391 14.677 731 HA3 GLY 97 2HA GLY 97 32.501 5.606 15.078 732 H GLU 98 H GLU 98 30.345 6.560 13.980 733 HA GLU 98 HA GLU 98 30.737 6.674 11.038 734 HB2 GLU 98 1HB GLU 98 28.368 7.529 12.745 735 HB3 GLU 98 2HB GLU 98 28.431 7.494 10.987 736 HG2 GLU 98 1HG GLU 98 27.207 5.560 11.625 737 HG3 GLU 98 2HG GLU 98 28.812 4.984 11.148 738 H VAL 99 H VAL 99 31.643 8.442 10.164 739 HA VAL 99 HA VAL 99 32.165 10.792 11.770 740 HB VAL 99 HB VAL 99 33.648 9.783 9.958 741 HG11 VAL 99 1HG1 VAL 99 33.290 10.458 7.596 742 HG12 VAL 99 2HG1 VAL 99 31.919 9.499 8.158 743 HG13 VAL 99 3HG1 VAL 99 31.764 11.263 8.015 744 HG21 VAL 99 1HG2 VAL 99 34.113 12.029 10.938 745 HG22 VAL 99 2HG2 VAL 99 34.602 11.955 9.244 746 HG23 VAL 99 3HG2 VAL 99 33.106 12.795 9.699 747 HXT VAL 99 H02 VAL 99 29.637 9.939 10.308 Start of MODEL 33 1 H2 GLY 1 2H0 GLY 1 4.406 7.944 -0.729 2 H GLY 1 1H0 GLY 1 3.944 8.745 -2.118 3 HA2 GLY 1 1HA GLY 1 2.790 6.151 -1.166 4 HA3 GLY 1 2HA GLY 1 2.323 6.998 -2.658 5 H SER 2 H SER 2 5.484 7.515 -2.460 6 HA SER 2 HA SER 2 6.112 5.498 -4.472 7 HB2 SER 2 1HB SER 2 7.979 7.420 -3.032 8 HB3 SER 2 2HB SER 2 8.292 6.581 -4.566 9 HG SER 2 HG SER 2 6.522 7.769 -5.451 10 H MET 3 H MET 3 7.347 3.673 -4.237 11 HA MET 3 HA MET 3 7.646 2.467 -1.657 12 HB2 MET 3 1HB MET 3 7.481 1.212 -3.796 13 HB3 MET 3 2HB MET 3 9.041 1.871 -4.302 14 HG2 MET 3 1HG MET 3 10.157 0.695 -2.441 15 HG3 MET 3 2HG MET 3 8.599 0.033 -1.913 16 HE1 MET 3 1HE MET 3 6.998 -1.084 -4.212 17 HE2 MET 3 2HE MET 3 7.748 -2.671 -4.504 18 HE3 MET 3 3HE MET 3 7.532 -2.085 -2.838 19 H LYS 4 H LYS 4 9.429 2.276 -0.327 20 HA LYS 4 HA LYS 4 11.957 3.640 -1.110 21 HB2 LYS 4 1HB LYS 4 10.488 3.972 1.550 22 HB3 LYS 4 2HB LYS 4 12.141 4.513 1.237 23 HG2 LYS 4 1HG LYS 4 9.675 5.555 -0.206 24 HG3 LYS 4 2HG LYS 4 10.460 6.345 1.170 25 HD2 LYS 4 1HD LYS 4 12.539 6.608 -0.133 26 HD3 LYS 4 2HD LYS 4 11.802 5.763 -1.506 27 HE2 LYS 4 1HE LYS 4 11.707 8.145 -1.901 28 HE3 LYS 4 2HE LYS 4 10.065 7.509 -1.662 29 HZ1 LYS 4 1HZ LYS 4 11.682 8.892 0.401 30 HZ2 LYS 4 2HZ LYS 4 10.152 8.310 0.614 31 HZ3 LYS 4 3HZ LYS 4 10.422 9.557 -0.432 32 H TYR 5 H TYR 5 13.699 2.521 -0.200 33 HA TYR 5 HA TYR 5 14.859 0.705 0.385 34 HB2 TYR 5 1HB TYR 5 12.584 0.452 2.336 35 HB3 TYR 5 2HB TYR 5 13.947 -0.637 2.304 36 HD1 TYR 5 HD1 TYR 5 12.731 2.004 4.082 37 HD2 TYR 5 HD2 TYR 5 16.330 0.867 2.006 38 HE1 TYR 5 HE1 TYR 5 14.065 3.546 5.520 39 HE2 TYR 5 HE2 TYR 5 17.642 2.402 3.435 40 HH TYR 5 HH TYR 5 16.140 4.364 6.020 41 H LEU 6 H LEU 6 14.852 -1.722 0.582 42 HA LEU 6 HA LEU 6 13.682 -2.700 -1.889 43 HB2 LEU 6 1HB LEU 6 15.143 -4.170 0.332 44 HB3 LEU 6 2HB LEU 6 14.834 -4.790 -1.283 45 HG LEU 6 HG LEU 6 16.626 -2.434 -0.684 46 HD11 LEU 6 1HD1 LEU 6 17.496 -4.541 0.250 47 HD12 LEU 6 2HD1 LEU 6 18.471 -3.992 -1.130 48 HD13 LEU 6 3HD1 LEU 6 17.308 -5.325 -1.339 49 HD21 LEU 6 1HD2 LEU 6 17.427 -2.771 -2.996 50 HD22 LEU 6 2HD2 LEU 6 15.709 -2.334 -2.949 51 HD23 LEU 6 3HD2 LEU 6 16.185 -4.026 -3.236 52 H ASN 7 H ASN 7 12.948 -3.092 1.514 53 HA ASN 7 HA ASN 7 11.276 -4.113 2.668 54 HB2 ASN 7 1HB ASN 7 9.650 -3.812 0.114 55 HB3 ASN 7 2HB ASN 7 9.020 -3.985 1.758 56 HD21 ASN 7 1HD2 ASN 7 10.462 -0.585 2.504 57 HD22 ASN 7 2HD2 ASN 7 10.874 -2.194 3.052 58 H VAL 8 H VAL 8 13.016 -6.090 1.557 59 HA VAL 8 HA VAL 8 11.150 -8.213 0.635 60 HB VAL 8 HB VAL 8 12.873 -9.136 -0.564 61 HG11 VAL 8 1HG1 VAL 8 14.336 -6.546 0.037 62 HG12 VAL 8 2HG1 VAL 8 14.501 -7.576 -1.402 63 HG13 VAL 8 3HG1 VAL 8 12.986 -6.699 -1.127 64 HG21 VAL 8 1HG2 VAL 8 14.637 -8.519 1.798 65 HG22 VAL 8 2HG2 VAL 8 14.176 -10.091 1.133 66 HG23 VAL 8 3HG2 VAL 8 15.323 -9.060 0.263 67 H LEU 9 H LEU 9 11.524 -10.405 1.631 68 HA LEU 9 HA LEU 9 12.078 -10.096 4.551 69 HB2 LEU 9 1HB LEU 9 10.640 -12.301 3.044 70 HB3 LEU 9 2HB LEU 9 10.893 -12.248 4.784 71 HG LEU 9 HG LEU 9 9.213 -10.288 3.177 72 HD11 LEU 9 1HD1 LEU 9 7.312 -11.368 4.292 73 HD12 LEU 9 2HD1 LEU 9 8.413 -12.491 5.122 74 HD13 LEU 9 3HD1 LEU 9 8.240 -12.553 3.350 75 HD21 LEU 9 1HD2 LEU 9 10.145 -9.150 5.121 76 HD22 LEU 9 2HD2 LEU 9 9.687 -10.504 6.179 77 HD23 LEU 9 3HD2 LEU 9 8.435 -9.498 5.417 78 H ALA 10 H ALA 10 13.583 -11.392 5.585 79 HA ALA 10 HA ALA 10 15.104 -13.323 3.883 80 HB1 ALA 10 1HB ALA 10 17.221 -12.429 4.724 81 HB2 ALA 10 2HB ALA 10 16.307 -11.166 3.875 82 HB3 ALA 10 3HB ALA 10 16.344 -11.181 5.651 83 H LYS 11 H LYS 11 15.923 -15.097 5.006 84 HA LYS 11 HA LYS 11 14.942 -15.363 7.818 85 HB2 LYS 11 1HB LYS 11 14.087 -17.058 6.323 86 HB3 LYS 11 2HB LYS 11 15.700 -17.435 5.723 87 HG2 LYS 11 1HG LYS 11 16.343 -18.494 7.730 88 HG3 LYS 11 2HG LYS 11 15.036 -17.748 8.659 89 HD2 LYS 11 1HD LYS 11 14.491 -19.739 6.447 90 HD3 LYS 11 2HD LYS 11 14.836 -20.226 8.123 91 HE2 LYS 11 1HE LYS 11 12.993 -18.464 8.731 92 HE3 LYS 11 2HE LYS 11 12.489 -18.671 7.048 93 HZ1 LYS 11 1HZ LYS 11 12.208 -21.042 7.513 94 HZ2 LYS 11 2HZ LYS 11 11.292 -20.136 8.547 95 HZ3 LYS 11 3HZ LYS 11 12.691 -20.822 9.077 96 H ALA 12 H ALA 12 16.275 -15.791 9.477 97 HA ALA 12 HA ALA 12 19.152 -15.482 9.143 98 HB1 ALA 12 1HB ALA 12 17.975 -14.621 11.106 99 HB2 ALA 12 2HB ALA 12 17.390 -16.243 11.510 100 HB3 ALA 12 3HB ALA 12 19.119 -15.872 11.603 101 H LEU 13 H LEU 13 20.621 -17.079 8.703 102 HA LEU 13 HA LEU 13 19.730 -19.921 8.835 103 HB2 LEU 13 1HB LEU 13 22.385 -18.703 8.046 104 HB3 LEU 13 2HB LEU 13 21.973 -20.394 7.933 105 HG LEU 13 HG LEU 13 21.851 -19.842 5.794 106 HD11 LEU 13 1HD1 LEU 13 19.622 -19.570 4.970 107 HD12 LEU 13 2HD1 LEU 13 19.072 -18.874 6.511 108 HD13 LEU 13 3HD1 LEU 13 19.558 -20.589 6.422 109 HD21 LEU 13 1HD2 LEU 13 21.432 -17.702 4.873 110 HD22 LEU 13 2HD2 LEU 13 22.490 -17.500 6.268 111 HD23 LEU 13 3HD2 LEU 13 20.758 -17.116 6.410 112 H TYR 14 H TYR 14 21.352 -17.567 10.685 113 HA TYR 14 HA TYR 14 22.156 -19.593 12.680 114 HB2 TYR 14 1HB TYR 14 24.000 -17.392 11.693 115 HB3 TYR 14 2HB TYR 14 24.342 -18.571 12.964 116 HD1 TYR 14 HD1 TYR 14 24.170 -17.978 9.345 117 HD2 TYR 14 HD2 TYR 14 24.807 -20.969 12.366 118 HE1 TYR 14 HE1 TYR 14 25.088 -19.520 7.621 119 HE2 TYR 14 HE2 TYR 14 25.746 -22.500 10.638 120 HH TYR 14 HH TYR 14 26.007 -21.558 7.199 121 H ASP 15 H ASP 15 22.553 -18.372 14.782 122 HA ASP 15 HA ASP 15 20.607 -16.180 15.027 123 HB2 ASP 15 1HB ASP 15 21.306 -16.254 17.410 124 HB3 ASP 15 2HB ASP 15 20.823 -17.849 16.811 125 H ASN 16 H ASN 16 21.453 -14.218 16.349 126 HA ASN 16 HA ASN 16 24.241 -13.523 15.702 127 HB2 ASN 16 1HB ASN 16 22.788 -12.790 13.732 128 HB3 ASN 16 2HB ASN 16 21.991 -11.678 14.847 129 HD21 ASN 16 1HD2 ASN 16 24.467 -9.267 14.407 130 HD22 ASN 16 2HD2 ASN 16 22.772 -9.664 14.663 131 H VAL 17 H VAL 17 25.090 -12.107 17.126 132 HA VAL 17 HA VAL 17 23.289 -11.108 19.278 133 HB VAL 17 HB VAL 17 26.285 -11.739 19.355 134 HG11 VAL 17 1HG1 VAL 17 25.735 -9.820 20.795 135 HG12 VAL 17 2HG1 VAL 17 24.408 -10.740 21.550 136 HG13 VAL 17 3HG1 VAL 17 26.098 -11.244 21.786 137 HG21 VAL 17 1HG2 VAL 17 24.918 -13.796 19.363 138 HG22 VAL 17 2HG2 VAL 17 25.634 -13.524 20.964 139 HG23 VAL 17 3HG2 VAL 17 23.920 -13.143 20.682 140 H ALA 18 H ALA 18 23.112 -8.989 19.317 141 HA ALA 18 HA ALA 18 24.482 -7.386 17.318 142 HB1 ALA 18 1HB ALA 18 22.499 -6.692 19.510 143 HB2 ALA 18 2HB ALA 18 23.105 -5.558 18.283 144 HB3 ALA 18 3HB ALA 18 22.146 -6.970 17.786 145 H GLU 19 H GLU 19 26.518 -6.825 17.667 146 HA GLU 19 HA GLU 19 27.442 -6.330 20.471 147 HB2 GLU 19 1HB GLU 19 28.906 -6.745 17.841 148 HB3 GLU 19 2HB GLU 19 29.705 -6.388 19.383 149 HG2 GLU 19 1HG GLU 19 28.833 -8.455 20.345 150 HG3 GLU 19 2HG GLU 19 27.936 -8.801 18.863 151 H SER 20 H SER 20 26.860 -4.878 17.339 152 HA SER 20 HA SER 20 27.938 -2.246 18.223 153 HB2 SER 20 1HB SER 20 28.373 -2.815 15.907 154 HB3 SER 20 2HB SER 20 26.690 -3.275 15.643 155 HG SER 20 HG SER 20 27.423 -1.098 14.922 156 HA PRO 21 HA PRO 21 23.901 -1.146 19.658 157 HB2 PRO 21 1HB PRO 21 23.947 1.580 19.388 158 HB3 PRO 21 2HB PRO 21 24.899 0.716 20.638 159 HG2 PRO 21 1HG PRO 21 25.786 1.673 17.923 160 HG3 PRO 21 2HG PRO 21 26.558 1.939 19.519 161 HD2 PRO 21 1HD PRO 21 27.422 0.029 17.895 162 HD3 PRO 21 2HD PRO 21 27.323 -0.236 19.670 163 H ASP 22 H ASP 22 24.981 -0.639 16.411 164 HA ASP 22 HA ASP 22 22.300 0.239 15.492 165 HB2 ASP 22 1HB ASP 22 24.773 0.883 14.639 166 HB3 ASP 22 2HB ASP 22 24.494 -0.507 13.608 167 H GLU 23 H GLU 23 23.911 -2.628 16.213 168 HA GLU 23 HA GLU 23 23.003 -4.108 13.864 169 HB2 GLU 23 1HB GLU 23 25.206 -4.403 15.011 170 HB3 GLU 23 2HB GLU 23 24.353 -5.119 16.377 171 HG2 GLU 23 1HG GLU 23 23.561 -6.925 14.921 172 HG3 GLU 23 2HG GLU 23 24.340 -6.153 13.532 173 H LEU 24 H LEU 24 21.648 -5.921 13.883 174 HA LEU 24 HA LEU 24 19.618 -5.909 16.074 175 HB2 LEU 24 1HB LEU 24 19.589 -7.114 13.301 176 HB3 LEU 24 2HB LEU 24 18.365 -7.446 14.513 177 HG LEU 24 HG LEU 24 18.956 -4.753 13.263 178 HD11 LEU 24 1HD1 LEU 24 16.646 -6.698 12.991 179 HD12 LEU 24 2HD1 LEU 24 17.841 -6.275 11.745 180 HD13 LEU 24 3HD1 LEU 24 16.681 -5.055 12.309 181 HD21 LEU 24 1HD2 LEU 24 16.958 -5.585 15.401 182 HD22 LEU 24 2HD2 LEU 24 16.850 -4.069 14.478 183 HD23 LEU 24 3HD2 LEU 24 18.252 -4.360 15.526 184 H SER 25 H SER 25 19.180 -7.612 17.304 185 HA SER 25 HA SER 25 20.962 -9.981 17.062 186 HB2 SER 25 1HB SER 25 20.283 -10.396 19.425 187 HB3 SER 25 2HB SER 25 21.098 -8.829 19.241 188 HG SER 25 HG SER 25 18.277 -9.118 19.129 189 H PHE 26 H PHE 26 20.041 -11.854 16.619 190 HA PHE 26 HA PHE 26 17.167 -12.312 17.022 191 HB2 PHE 26 1HB PHE 26 16.770 -12.935 14.642 192 HB3 PHE 26 2HB PHE 26 17.003 -11.214 14.920 193 HD1 PHE 26 HD1 PHE 26 18.525 -10.007 13.682 194 HD2 PHE 26 HD2 PHE 26 18.891 -14.291 13.820 195 HE1 PHE 26 HE1 PHE 26 20.190 -9.919 11.889 196 HE2 PHE 26 HE2 PHE 26 20.597 -14.201 12.004 197 HZ PHE 26 HZ PHE 26 21.210 -12.020 10.984 198 H ARG 27 H ARG 27 16.512 -14.504 16.111 199 HA ARG 27 HA ARG 27 18.676 -16.425 16.892 200 HB2 ARG 27 1HB ARG 27 16.941 -16.585 18.458 201 HB3 ARG 27 2HB ARG 27 15.700 -16.208 17.275 202 HG2 ARG 27 1HG ARG 27 15.328 -18.436 17.930 203 HG3 ARG 27 2HG ARG 27 15.999 -18.500 16.305 204 HD2 ARG 27 1HD ARG 27 18.298 -18.741 17.691 205 HD3 ARG 27 2HD ARG 27 17.173 -19.399 18.900 206 HE ARG 27 HE ARG 27 16.647 -20.496 16.286 207 HH11 ARG 27 1HH1 ARG 27 18.952 -20.833 18.960 208 HH12 ARG 27 2HH1 ARG 27 19.307 -22.492 18.555 209 HH21 ARG 27 1HH2 ARG 27 17.164 -22.589 15.847 210 HH22 ARG 27 2HH2 ARG 27 18.303 -23.468 16.838 211 H LYS 28 H LYS 28 18.936 -18.326 15.701 212 HA LYS 28 HA LYS 28 18.730 -18.231 12.878 213 HB2 LYS 28 1HB LYS 28 20.257 -19.700 14.111 214 HB3 LYS 28 2HB LYS 28 18.912 -20.534 14.869 215 HG2 LYS 28 1HG LYS 28 18.310 -21.624 12.847 216 HG3 LYS 28 2HG LYS 28 19.399 -20.600 11.895 217 HD2 LYS 28 1HD LYS 28 21.332 -21.477 13.131 218 HD3 LYS 28 2HD LYS 28 20.273 -22.497 14.115 219 HE2 LYS 28 1HE LYS 28 20.154 -24.092 12.507 220 HE3 LYS 28 2HE LYS 28 19.994 -22.891 11.198 221 HZ1 LYS 28 1HZ LYS 28 22.148 -24.133 11.185 222 HZ2 LYS 28 2HZ LYS 28 22.537 -23.431 12.620 223 HZ3 LYS 28 3HZ LYS 28 22.329 -22.492 11.276 224 H GLY 29 H GLY 29 17.088 -18.411 11.557 225 HA2 GLY 29 1HA GLY 29 15.186 -19.634 10.742 226 HA3 GLY 29 2HA GLY 29 14.682 -19.957 12.403 227 H ASP 30 H ASP 30 15.532 -16.871 12.748 228 HA ASP 30 HA ASP 30 12.808 -15.940 12.697 229 HB2 ASP 30 1HB ASP 30 15.481 -14.539 13.085 230 HB3 ASP 30 2HB ASP 30 13.936 -13.688 13.151 231 H ILE 31 H ILE 31 12.060 -14.001 11.585 232 HA ILE 31 HA ILE 31 13.230 -13.716 8.847 233 HB ILE 31 HB ILE 31 10.297 -13.451 9.674 234 HG12 ILE 31 1HG1 ILE 31 10.891 -15.795 9.605 235 HG13 ILE 31 2HG1 ILE 31 9.915 -15.397 8.194 236 HG21 ILE 31 1HG2 ILE 31 10.726 -11.870 7.901 237 HG22 ILE 31 2HG2 ILE 31 11.705 -13.045 6.987 238 HG23 ILE 31 3HG2 ILE 31 9.943 -13.268 7.143 239 HD11 ILE 31 1HD1 ILE 31 11.546 -16.757 7.296 240 HD12 ILE 31 2HD1 ILE 31 12.239 -15.158 6.968 241 HD13 ILE 31 3HD1 ILE 31 12.822 -16.119 8.354 242 H MET 32 H MET 32 13.867 -11.695 8.350 243 HA MET 32 HA MET 32 12.634 -9.427 9.860 244 HB2 MET 32 1HB MET 32 14.834 -8.287 9.774 245 HB3 MET 32 2HB MET 32 14.830 -9.720 10.781 246 HG2 MET 32 1HG MET 32 15.670 -10.791 8.429 247 HG3 MET 32 2HG MET 32 16.337 -9.161 8.316 248 HE1 MET 32 1HE MET 32 17.264 -12.369 11.540 249 HE2 MET 32 2HE MET 32 15.645 -11.635 11.489 250 HE3 MET 32 3HE MET 32 16.237 -12.592 10.106 251 H THR 33 H THR 33 12.644 -7.443 8.740 252 HA THR 33 HA THR 33 12.207 -7.860 5.827 253 HB THR 33 HB THR 33 11.713 -5.436 7.622 254 HG1 THR 33 HG1 THR 33 9.522 -6.122 7.359 255 HG21 THR 33 1HG2 THR 33 11.997 -4.710 5.339 256 HG22 THR 33 2HG2 THR 33 10.263 -4.694 5.726 257 HG23 THR 33 3HG2 THR 33 10.937 -6.018 4.741 258 H VAL 34 H VAL 34 13.939 -7.547 4.497 259 HA VAL 34 HA VAL 34 16.207 -5.933 5.403 260 HB VAL 34 HB VAL 34 15.748 -7.149 2.679 261 HG11 VAL 34 1HG1 VAL 34 17.475 -5.443 2.618 262 HG12 VAL 34 2HG1 VAL 34 18.252 -6.123 4.070 263 HG13 VAL 34 3HG1 VAL 34 18.245 -7.039 2.544 264 HG21 VAL 34 1HG2 VAL 34 15.666 -8.935 4.253 265 HG22 VAL 34 2HG2 VAL 34 17.297 -8.935 3.568 266 HG23 VAL 34 3HG2 VAL 34 17.026 -8.265 5.183 267 H LEU 35 H LEU 35 16.478 -3.877 5.080 268 HA LEU 35 HA LEU 35 14.513 -2.452 3.376 269 HB2 LEU 35 1HB LEU 35 16.498 -1.516 5.462 270 HB3 LEU 35 2HB LEU 35 15.354 -0.481 4.621 271 HG LEU 35 HG LEU 35 14.582 -2.801 6.428 272 HD11 LEU 35 1HD1 LEU 35 14.734 0.177 6.886 273 HD12 LEU 35 2HD1 LEU 35 15.667 -1.113 7.690 274 HD13 LEU 35 3HD1 LEU 35 13.918 -0.978 7.968 275 HD21 LEU 35 1HD2 LEU 35 12.837 -2.336 4.784 276 HD22 LEU 35 2HD2 LEU 35 12.917 -0.594 5.144 277 HD23 LEU 35 3HD2 LEU 35 12.327 -1.740 6.374 278 H GLU 36 H GLU 36 18.065 -2.660 4.021 279 HA GLU 36 HA GLU 36 18.448 -2.390 1.133 280 HB2 GLU 36 1HB GLU 36 19.744 -0.467 1.059 281 HB3 GLU 36 2HB GLU 36 18.359 -0.034 2.042 282 HG2 GLU 36 1HG GLU 36 19.743 -0.345 4.028 283 HG3 GLU 36 2HG GLU 36 21.124 -0.563 2.950 284 H ARG 37 H ARG 37 20.927 -2.541 0.672 285 HA ARG 37 HA ARG 37 22.155 -4.351 2.708 286 HB2 ARG 37 1HB ARG 37 22.160 -4.660 -0.316 287 HB3 ARG 37 2HB ARG 37 23.041 -5.680 0.828 288 HG2 ARG 37 1HG ARG 37 20.812 -6.297 1.845 289 HG3 ARG 37 2HG ARG 37 20.044 -5.445 0.502 290 HD2 ARG 37 1HD ARG 37 21.948 -7.787 0.259 291 HD3 ARG 37 2HD ARG 37 20.185 -7.841 0.045 292 HE ARG 37 HE ARG 37 21.310 -5.859 -1.678 293 HH11 ARG 37 1HH1 ARG 37 21.183 -9.368 -1.395 294 HH12 ARG 37 2HH1 ARG 37 21.394 -9.612 -3.107 295 HH21 ARG 37 1HH2 ARG 37 21.577 -6.230 -3.845 296 HH22 ARG 37 2HH2 ARG 37 21.613 -7.855 -4.473 297 H ASP 38 H ASP 38 24.397 -4.212 2.780 298 HA ASP 38 HA ASP 38 26.381 -3.158 2.766 299 HB2 ASP 38 1HB ASP 38 25.689 -2.336 -0.060 300 HB3 ASP 38 2HB ASP 38 27.303 -2.566 0.634 301 H THR 39 H THR 39 24.216 -2.010 3.877 302 HA THR 39 HA THR 39 23.670 0.707 3.242 303 HB THR 39 HB THR 39 22.146 -0.592 4.614 304 HG1 THR 39 HG1 THR 39 22.021 1.519 5.155 305 HG21 THR 39 1HG2 THR 39 24.435 -0.886 6.530 306 HG22 THR 39 2HG2 THR 39 23.505 -2.146 5.682 307 HG23 THR 39 3HG2 THR 39 22.726 -1.176 6.933 308 H GLN 40 H GLN 40 24.406 2.611 4.126 309 HA GLN 40 HA GLN 40 25.950 4.118 4.810 310 HB2 GLN 40 1HB GLN 40 27.067 2.259 6.863 311 HB3 GLN 40 2HB GLN 40 26.801 3.991 6.946 312 HG2 GLN 40 1HG GLN 40 24.336 3.515 7.005 313 HG3 GLN 40 2HG GLN 40 24.715 1.798 7.094 314 HE21 GLN 40 1HE2 GLN 40 24.313 2.348 10.571 315 HE22 GLN 40 2HE2 GLN 40 23.482 1.904 9.094 316 H GLY 41 H GLY 41 26.785 1.576 3.090 317 HA2 GLY 41 1HA GLY 41 28.678 1.323 1.727 318 HA3 GLY 41 2HA GLY 41 29.564 2.491 2.729 319 H LEU 42 H LEU 42 27.839 0.094 4.497 320 HA LEU 42 HA LEU 42 30.378 -1.135 5.324 321 HB2 LEU 42 1HB LEU 42 27.537 -1.510 6.284 322 HB3 LEU 42 2HB LEU 42 28.972 -2.161 7.048 323 HG LEU 42 HG LEU 42 28.472 0.798 6.766 324 HD11 LEU 42 1HD1 LEU 42 27.755 -1.086 9.038 325 HD12 LEU 42 2HD1 LEU 42 26.629 -0.177 7.998 326 HD13 LEU 42 3HD1 LEU 42 27.699 0.693 9.118 327 HD21 LEU 42 1HD2 LEU 42 30.045 0.924 8.662 328 HD22 LEU 42 2HD2 LEU 42 30.792 0.152 7.247 329 HD23 LEU 42 3HD2 LEU 42 30.237 -0.842 8.618 330 H ASP 43 H ASP 43 30.950 -2.446 3.591 331 HA ASP 43 HA ASP 43 29.201 -4.006 2.027 332 HB2 ASP 43 1HB ASP 43 32.122 -4.189 2.722 333 HB3 ASP 43 2HB ASP 43 31.352 -5.561 1.908 334 H GLY 44 H GLY 44 28.045 -5.770 2.315 335 HA2 GLY 44 1HA GLY 44 27.607 -7.927 3.119 336 HA3 GLY 44 2HA GLY 44 28.946 -7.788 4.262 337 H TRP 45 H TRP 45 27.532 -5.019 5.067 338 HA TRP 45 HA TRP 45 25.822 -6.298 7.104 339 HB2 TRP 45 1HB TRP 45 26.931 -3.543 6.584 340 HB3 TRP 45 2HB TRP 45 25.694 -3.797 7.787 341 HD1 TRP 45 HD1 TRP 45 29.392 -3.898 7.393 342 HE1 TRP 45 HE1 TRP 45 30.561 -4.798 9.456 343 HE3 TRP 45 HE3 TRP 45 25.280 -5.854 9.656 344 HZ2 TRP 45 HZ2 TRP 45 29.777 -6.262 11.810 345 HZ3 TRP 45 HZ3 TRP 45 25.535 -7.007 11.843 346 HH2 TRP 45 HH2 TRP 45 27.758 -7.219 12.896 347 H TRP 46 H TRP 46 23.641 -6.344 6.920 348 HA TRP 46 HA TRP 46 22.434 -4.724 4.699 349 HB2 TRP 46 1HB TRP 46 21.612 -7.420 5.841 350 HB3 TRP 46 2HB TRP 46 20.714 -6.524 4.608 351 HD1 TRP 46 HD1 TRP 46 24.111 -5.951 3.529 352 HE1 TRP 46 HE1 TRP 46 24.960 -7.575 1.787 353 HE3 TRP 46 HE3 TRP 46 20.543 -9.559 4.170 354 HZ2 TRP 46 HZ2 TRP 46 24.215 -10.162 0.807 355 HZ3 TRP 46 HZ3 TRP 46 20.692 -11.642 2.808 356 HH2 TRP 46 HH2 TRP 46 22.494 -11.922 1.118 357 H LEU 47 H LEU 47 20.990 -3.223 5.279 358 HA LEU 47 HA LEU 47 20.256 -2.889 8.081 359 HB2 LEU 47 1HB LEU 47 20.590 -0.967 6.552 360 HB3 LEU 47 2HB LEU 47 19.291 -1.564 5.525 361 HG LEU 47 HG LEU 47 17.678 -1.159 7.321 362 HD11 LEU 47 1HD1 LEU 47 18.344 0.215 9.278 363 HD12 LEU 47 2HD1 LEU 47 20.046 -0.043 8.836 364 HD13 LEU 47 3HD1 LEU 47 19.016 -1.418 9.295 365 HD21 LEU 47 1HD2 LEU 47 18.113 0.574 5.640 366 HD22 LEU 47 2HD2 LEU 47 19.408 1.248 6.656 367 HD23 LEU 47 3HD2 LEU 47 17.715 1.301 7.207 368 H CYS 48 H CYS 48 18.653 -3.964 9.040 369 HA CYS 48 HA CYS 48 16.290 -4.685 7.371 370 HB2 CYS 48 1HB CYS 48 17.478 -6.534 9.463 371 HB3 CYS 48 2HB CYS 48 16.183 -6.879 8.319 372 HG CYS 48 HG CYS 48 19.374 -6.270 7.693 373 H SER 49 H SER 49 14.474 -5.422 8.790 374 HA SER 49 HA SER 49 14.464 -3.913 11.363 375 HB2 SER 49 1HB SER 49 12.741 -2.650 10.701 376 HB3 SER 49 2HB SER 49 13.143 -3.140 9.061 377 HG SER 49 HG SER 49 11.730 -5.071 9.689 378 H LEU 50 H LEU 50 13.863 -5.087 13.032 379 HA LEU 50 HA LEU 50 12.145 -7.497 12.622 380 HB2 LEU 50 1HB LEU 50 14.542 -8.228 12.574 381 HB3 LEU 50 2HB LEU 50 14.783 -7.454 14.142 382 HG LEU 50 HG LEU 50 12.570 -9.191 14.457 383 HD11 LEU 50 1HD1 LEU 50 13.374 -11.321 13.778 384 HD12 LEU 50 2HD1 LEU 50 14.869 -10.599 13.136 385 HD13 LEU 50 3HD1 LEU 50 13.300 -10.242 12.364 386 HD21 LEU 50 1HD2 LEU 50 14.214 -8.609 16.183 387 HD22 LEU 50 2HD2 LEU 50 15.472 -9.503 15.297 388 HD23 LEU 50 3HD2 LEU 50 14.086 -10.371 15.996 389 H HIS 51 H HIS 51 10.641 -7.591 14.208 390 HA HIS 51 HA HIS 51 9.372 -6.968 16.010 391 HB2 HIS 51 1HB HIS 51 12.087 -6.675 17.354 392 HB3 HIS 51 2HB HIS 51 10.532 -6.708 18.188 393 HD1 HIS 51 HD1 HIS 51 12.404 -8.852 19.075 394 HD2 HIS 51 HD2 HIS 51 9.912 -9.337 15.771 395 HE1 HIS 51 HE1 HIS 51 12.113 -11.342 18.725 396 H GLY 52 H GLY 52 10.196 -4.820 14.127 397 HA2 GLY 52 1HA GLY 52 9.633 -2.571 14.017 398 HA3 GLY 52 2HA GLY 52 9.267 -2.597 15.746 399 H ARG 53 H ARG 53 12.390 -3.843 15.199 400 HA ARG 53 HA ARG 53 13.599 -1.193 15.879 401 HB2 ARG 53 1HB ARG 53 13.681 -3.486 17.343 402 HB3 ARG 53 2HB ARG 53 15.033 -3.803 16.266 403 HG2 ARG 53 1HG ARG 53 14.795 -1.279 17.951 404 HG3 ARG 53 2HG ARG 53 15.579 -2.762 18.506 405 HD2 ARG 53 1HD ARG 53 17.039 -2.587 16.390 406 HD3 ARG 53 2HD ARG 53 16.459 -0.913 16.288 407 HE ARG 53 HE ARG 53 17.354 -1.389 18.930 408 HH11 ARG 53 1HH1 ARG 53 18.805 -1.078 15.693 409 HH12 ARG 53 2HH1 ARG 53 20.342 -0.595 16.372 410 HH21 ARG 53 1HH2 ARG 53 19.329 -0.750 19.653 411 HH22 ARG 53 2HH2 ARG 53 20.627 -0.399 18.533 412 H GLN 54 H GLN 54 15.171 -0.501 14.488 413 HA GLN 54 HA GLN 54 15.610 -2.160 12.048 414 HB2 GLN 54 1HB GLN 54 15.100 0.655 12.564 415 HB3 GLN 54 2HB GLN 54 16.607 0.435 11.660 416 HG2 GLN 54 1HG GLN 54 15.415 -0.841 9.980 417 HG3 GLN 54 2HG GLN 54 13.917 -0.716 10.915 418 HE21 GLN 54 1HE2 GLN 54 15.323 2.787 9.270 419 HE22 GLN 54 2HE2 GLN 54 16.446 1.663 9.992 420 H GLY 55 H GLY 55 17.742 -2.495 11.300 421 HA2 GLY 55 1HA GLY 55 20.003 -1.178 12.357 422 HA3 GLY 55 2HA GLY 55 19.732 -2.619 13.340 423 H ILE 56 H ILE 56 22.085 -2.432 12.081 424 HA ILE 56 HA ILE 56 21.960 -3.702 9.444 425 HB ILE 56 HB ILE 56 24.427 -3.687 9.493 426 HG12 ILE 56 1HG1 ILE 56 24.081 -2.720 12.381 427 HG13 ILE 56 2HG1 ILE 56 24.698 -4.299 11.897 428 HG21 ILE 56 1HG2 ILE 56 23.012 -1.562 9.072 429 HG22 ILE 56 2HG2 ILE 56 23.461 -1.044 10.714 430 HG23 ILE 56 3HG2 ILE 56 24.718 -1.307 9.481 431 HD11 ILE 56 1HD1 ILE 56 26.008 -1.578 11.595 432 HD12 ILE 56 2HD1 ILE 56 26.598 -3.006 12.466 433 HD13 ILE 56 3HD1 ILE 56 26.576 -3.005 10.690 434 H VAL 57 H VAL 57 22.850 -5.721 8.920 435 HA VAL 57 HA VAL 57 22.977 -7.751 11.106 436 HB VAL 57 HB VAL 57 21.306 -7.901 8.591 437 HG11 VAL 57 1HG1 VAL 57 21.848 -9.999 10.607 438 HG12 VAL 57 2HG1 VAL 57 20.502 -10.071 9.458 439 HG13 VAL 57 3HG1 VAL 57 22.172 -10.044 8.864 440 HG21 VAL 57 1HG2 VAL 57 20.160 -6.569 10.230 441 HG22 VAL 57 2HG2 VAL 57 19.377 -8.163 10.180 442 HG23 VAL 57 3HG2 VAL 57 20.516 -7.766 11.493 443 HA PRO 58 HA PRO 58 26.264 -8.960 8.305 444 HB2 PRO 58 1HB PRO 58 26.863 -11.446 9.281 445 HB3 PRO 58 2HB PRO 58 27.301 -9.940 10.144 446 HG2 PRO 58 1HG PRO 58 24.961 -11.758 10.611 447 HG3 PRO 58 2HG PRO 58 26.111 -11.062 11.794 448 HD2 PRO 58 1HD PRO 58 23.653 -9.976 11.289 449 HD3 PRO 58 2HD PRO 58 25.067 -8.983 11.744 450 H GLY 59 H GLY 59 25.563 -9.324 6.253 451 HA2 GLY 59 1HA GLY 59 23.391 -10.973 5.522 452 HA3 GLY 59 2HA GLY 59 24.679 -10.417 4.440 453 H ASN 60 H ASN 60 26.673 -11.857 6.261 454 HA ASN 60 HA ASN 60 26.797 -14.310 4.791 455 HB2 ASN 60 1HB ASN 60 28.569 -12.872 6.276 456 HB3 ASN 60 2HB ASN 60 28.189 -14.166 7.423 457 HD21 ASN 60 1HD2 ASN 60 29.400 -16.699 5.029 458 HD22 ASN 60 2HD2 ASN 60 27.931 -16.386 5.934 459 H ARG 61 H ARG 61 24.967 -13.419 7.602 460 HA ARG 61 HA ARG 61 24.480 -16.313 8.214 461 HB2 ARG 61 1HB ARG 61 24.051 -13.842 9.941 462 HB3 ARG 61 2HB ARG 61 23.649 -15.498 10.404 463 HG2 ARG 61 1HG ARG 61 26.069 -16.095 10.173 464 HG3 ARG 61 2HG ARG 61 26.423 -14.376 9.897 465 HD2 ARG 61 1HD ARG 61 25.434 -13.822 12.091 466 HD3 ARG 61 2HD ARG 61 25.055 -15.535 12.343 467 HE ARG 61 HE ARG 61 27.862 -15.192 11.797 468 HH11 ARG 61 1HH1 ARG 61 25.495 -14.873 14.423 469 HH12 ARG 61 2HH1 ARG 61 26.731 -15.028 15.648 470 HH21 ARG 61 1HH2 ARG 61 29.330 -15.415 13.393 471 HH22 ARG 61 2HH2 ARG 61 28.861 -15.328 15.077 472 H LEU 62 H LEU 62 23.271 -14.105 6.234 473 HA LEU 62 HA LEU 62 20.447 -14.687 7.004 474 HB2 LEU 62 1HB LEU 62 21.535 -12.269 7.233 475 HB3 LEU 62 2HB LEU 62 21.167 -12.206 5.513 476 HG LEU 62 HG LEU 62 18.811 -12.712 6.043 477 HD11 LEU 62 1HD1 LEU 62 17.954 -12.386 8.261 478 HD12 LEU 62 2HD1 LEU 62 19.616 -12.290 8.893 479 HD13 LEU 62 3HD1 LEU 62 19.014 -13.785 8.150 480 HD21 LEU 62 1HD2 LEU 62 18.330 -10.436 7.008 481 HD22 LEU 62 2HD2 LEU 62 19.418 -10.465 5.611 482 HD23 LEU 62 3HD2 LEU 62 20.080 -10.258 7.246 483 H LYS 63 H LYS 63 18.999 -15.176 5.467 484 HA LYS 63 HA LYS 63 20.072 -15.307 2.670 485 HB2 LYS 63 1HB LYS 63 19.897 -17.566 3.504 486 HB3 LYS 63 2HB LYS 63 18.252 -17.277 4.088 487 HG2 LYS 63 1HG LYS 63 17.375 -17.191 1.869 488 HG3 LYS 63 2HG LYS 63 18.987 -17.004 1.157 489 HD2 LYS 63 1HD LYS 63 18.222 -19.229 0.731 490 HD3 LYS 63 2HD LYS 63 19.549 -19.304 1.905 491 HE2 LYS 63 1HE LYS 63 17.844 -19.496 3.737 492 HE3 LYS 63 2HE LYS 63 16.572 -19.542 2.496 493 HZ1 LYS 63 1HZ LYS 63 18.819 -21.473 2.740 494 HZ2 LYS 63 2HZ LYS 63 17.647 -21.522 1.579 495 HZ3 LYS 63 3HZ LYS 63 17.253 -21.774 3.163 496 H ILE 64 H ILE 64 19.111 -14.058 1.346 497 HA ILE 64 HA ILE 64 16.629 -12.737 1.924 498 HB ILE 64 HB ILE 64 18.081 -13.110 -0.741 499 HG12 ILE 64 1HG1 ILE 64 19.574 -12.109 0.902 500 HG13 ILE 64 2HG1 ILE 64 19.101 -10.930 -0.306 501 HG21 ILE 64 1HG2 ILE 64 16.938 -10.912 -1.269 502 HG22 ILE 64 2HG2 ILE 64 15.866 -12.327 -1.166 503 HG23 ILE 64 3HG2 ILE 64 15.951 -11.182 0.181 504 HD11 ILE 64 1HD1 ILE 64 19.070 -9.766 1.772 505 HD12 ILE 64 2HD1 ILE 64 17.366 -10.063 1.411 506 HD13 ILE 64 3HD1 ILE 64 18.217 -11.081 2.604 507 H LEU 65 H LEU 65 14.603 -13.451 1.654 508 HA LEU 65 HA LEU 65 14.221 -16.033 0.241 509 HB2 LEU 65 1HB LEU 65 12.274 -14.353 1.864 510 HB3 LEU 65 2HB LEU 65 11.994 -15.985 1.258 511 HG LEU 65 HG LEU 65 14.061 -15.189 3.340 512 HD11 LEU 65 1HD1 LEU 65 11.756 -15.007 4.143 513 HD12 LEU 65 2HD1 LEU 65 12.593 -16.362 4.910 514 HD13 LEU 65 3HD1 LEU 65 11.425 -16.673 3.605 515 HD21 LEU 65 1HD2 LEU 65 13.307 -17.929 2.234 516 HD22 LEU 65 2HD2 LEU 65 14.284 -17.669 3.699 517 HD23 LEU 65 3HD2 LEU 65 14.894 -17.123 2.127 518 H VAL 66 H VAL 66 14.706 -15.128 -1.818 519 HA VAL 66 HA VAL 66 13.317 -12.889 -2.913 520 HB VAL 66 HB VAL 66 13.988 -14.139 -5.162 521 HG11 VAL 66 1HG1 VAL 66 16.215 -13.165 -5.022 522 HG12 VAL 66 2HG1 VAL 66 15.042 -12.082 -4.238 523 HG13 VAL 66 3HG1 VAL 66 16.114 -13.103 -3.249 524 HG21 VAL 66 1HG2 VAL 66 15.866 -15.537 -3.195 525 HG22 VAL 66 2HG2 VAL 66 14.458 -16.329 -3.952 526 HG23 VAL 66 3HG2 VAL 66 15.793 -15.736 -4.955 527 H GLY 67 H GLY 67 11.274 -12.665 -3.480 528 HA2 GLY 67 1HA GLY 67 9.558 -15.013 -3.634 529 HA3 GLY 67 2HA GLY 67 9.061 -13.321 -3.730 530 H MET 68 H MET 68 11.569 -13.899 -5.929 531 HA MET 68 HA MET 68 9.694 -13.704 -8.162 532 HB2 MET 68 1HB MET 68 11.647 -13.422 -9.540 533 HB3 MET 68 2HB MET 68 11.822 -12.432 -8.089 534 HG2 MET 68 1HG MET 68 13.307 -14.167 -7.113 535 HG3 MET 68 2HG MET 68 13.153 -15.112 -8.599 536 HE1 MET 68 1HE MET 68 14.789 -12.038 -6.823 537 HE2 MET 68 2HE MET 68 15.480 -11.106 -8.169 538 HE3 MET 68 3HE MET 68 13.718 -11.144 -7.929 539 H TYR 69 H TYR 69 10.620 -16.290 -6.353 540 HA TYR 69 HA TYR 69 10.464 -18.130 -8.699 541 HB2 TYR 69 1HB TYR 69 11.951 -18.544 -6.082 542 HB3 TYR 69 2HB TYR 69 11.782 -19.740 -7.374 543 HD1 TYR 69 HD1 TYR 69 13.984 -17.393 -6.006 544 HD2 TYR 69 HD2 TYR 69 12.505 -18.705 -9.828 545 HE1 TYR 69 HE1 TYR 69 16.040 -16.505 -7.119 546 HE2 TYR 69 HE2 TYR 69 14.550 -17.803 -10.925 547 HH TYR 69 HH TYR 69 16.536 -16.709 -10.640 548 H ASP 70 H ASP 70 8.365 -18.712 -8.717 549 HA ASP 70 HA ASP 70 6.861 -19.257 -6.273 550 HB2 ASP 70 1HB ASP 70 5.127 -20.023 -7.795 551 HB3 ASP 70 2HB ASP 70 5.820 -18.538 -8.465 552 H LYS 71 H LYS 71 8.804 -20.982 -8.611 553 HA LYS 71 HA LYS 71 8.009 -23.602 -7.473 554 HB2 LYS 71 1HB LYS 71 8.558 -22.534 -10.095 555 HB3 LYS 71 2HB LYS 71 9.658 -23.878 -9.777 556 HG2 LYS 71 1HG LYS 71 6.749 -24.241 -9.159 557 HG3 LYS 71 2HG LYS 71 7.267 -24.229 -10.853 558 HD2 LYS 71 1HD LYS 71 8.913 -26.020 -10.372 559 HD3 LYS 71 2HD LYS 71 8.388 -26.047 -8.676 560 HE2 LYS 71 1HE LYS 71 7.316 -27.859 -9.933 561 HE3 LYS 71 2HE LYS 71 6.108 -26.679 -9.383 562 HZ1 LYS 71 1HZ LYS 71 6.126 -25.714 -11.601 563 HZ2 LYS 71 2HZ LYS 71 5.743 -27.317 -11.686 564 HZ3 LYS 71 3HZ LYS 71 7.251 -26.802 -12.118 565 H LYS 72 H LYS 72 9.315 -24.923 -6.499 566 HA LYS 72 HA LYS 72 12.218 -24.859 -6.835 567 HB2 LYS 72 1HB LYS 72 12.709 -24.538 -4.453 568 HB3 LYS 72 2HB LYS 72 11.845 -23.115 -5.051 569 HG2 LYS 72 1HG LYS 72 9.736 -24.072 -4.127 570 HG3 LYS 72 2HG LYS 72 10.674 -25.404 -3.433 571 HD2 LYS 72 1HD LYS 72 12.008 -23.743 -2.149 572 HD3 LYS 72 2HD LYS 72 10.953 -22.456 -2.778 573 HE2 LYS 72 1HE LYS 72 10.079 -24.870 -1.130 574 HE3 LYS 72 2HE LYS 72 10.206 -23.196 -0.542 575 HZ1 LYS 72 1HZ LYS 72 7.924 -23.729 -1.143 576 HZ2 LYS 72 2HZ LYS 72 8.367 -24.157 -2.671 577 HZ3 LYS 72 3HZ LYS 72 8.496 -22.586 -2.189 578 HA PRO 73 HA PRO 73 10.859 -28.961 -5.885 579 HB2 PRO 73 1HB PRO 73 13.016 -30.264 -4.845 580 HB3 PRO 73 2HB PRO 73 12.939 -29.788 -6.572 581 HG2 PRO 73 1HG PRO 73 14.294 -28.385 -4.275 582 HG3 PRO 73 2HG PRO 73 14.949 -28.782 -5.894 583 HD2 PRO 73 1HD PRO 73 13.947 -26.320 -5.261 584 HD3 PRO 73 2HD PRO 73 13.805 -27.020 -6.911 585 H ALA 74 H ALA 74 9.848 -29.969 -4.197 586 HA ALA 74 HA ALA 74 8.969 -30.324 -2.144 587 HB1 ALA 74 1HB ALA 74 10.518 -30.887 -0.386 588 HB2 ALA 74 2HB ALA 74 11.288 -31.319 -1.924 589 HB3 ALA 74 3HB ALA 74 11.780 -29.834 -1.076 590 H GLY 75 H GLY 75 9.322 -29.536 0.408 591 HA2 GLY 75 1HA GLY 75 9.560 -26.764 0.912 592 HA3 GLY 75 2HA GLY 75 7.852 -27.119 0.529 593 H SER 76 H SER 76 8.141 -26.314 3.026 594 HA SER 76 HA SER 76 7.780 -26.810 5.205 595 HB2 SER 76 1HB SER 76 5.955 -28.115 3.958 596 HB3 SER 76 2HB SER 76 6.890 -29.569 4.366 597 HG SER 76 HG SER 76 6.725 -28.964 6.560 598 H GLY 77 H GLY 77 10.473 -27.883 4.005 599 HA2 GLY 77 1HA GLY 77 11.059 -30.070 5.857 600 HA3 GLY 77 2HA GLY 77 12.175 -29.321 4.709 601 H GLY 78 H GLY 78 12.835 -30.023 7.379 602 HA2 GLY 78 1HA GLY 78 13.993 -27.519 8.236 603 HA3 GLY 78 2HA GLY 78 12.720 -28.097 9.351 604 H SER 79 H SER 79 15.185 -28.141 10.490 605 HA SER 79 HA SER 79 15.761 -31.028 10.611 606 HB2 SER 79 1HB SER 79 17.998 -29.051 9.995 607 HB3 SER 79 2HB SER 79 18.140 -30.812 10.191 608 HG SER 79 HG SER 79 16.432 -30.732 8.383 609 H GLY 80 H GLY 80 17.976 -28.438 11.671 610 HA2 GLY 80 1HA GLY 80 17.808 -29.428 14.389 611 HA3 GLY 80 2HA GLY 80 18.764 -28.049 13.815 612 H SER 81 H SER 81 17.257 -28.152 16.249 613 HA SER 81 HA SER 81 15.602 -25.754 15.783 614 HB2 SER 81 1HB SER 81 13.981 -27.584 15.613 615 HB3 SER 81 2HB SER 81 14.514 -28.230 17.178 616 HG SER 81 HG SER 81 12.597 -26.827 17.187 617 H GLY 82 H GLY 82 15.786 -27.928 18.653 618 HA2 GLY 82 1HA GLY 82 16.600 -25.578 20.219 619 HA3 GLY 82 2HA GLY 82 16.063 -27.137 20.841 620 H LEU 83 H LEU 83 18.406 -27.752 18.533 621 HA LEU 83 HA LEU 83 20.331 -28.432 20.634 622 HB2 LEU 83 1HB LEU 83 20.443 -28.744 17.612 623 HB3 LEU 83 2HB LEU 83 21.644 -29.368 18.737 624 HG LEU 83 HG LEU 83 18.733 -30.242 18.652 625 HD11 LEU 83 1HD1 LEU 83 19.976 -30.907 16.629 626 HD12 LEU 83 2HD1 LEU 83 19.615 -32.315 17.651 627 HD13 LEU 83 3HD1 LEU 83 21.252 -31.622 17.644 628 HD21 LEU 83 1HD2 LEU 83 19.686 -30.548 20.891 629 HD22 LEU 83 2HD2 LEU 83 21.126 -31.329 20.199 630 HD23 LEU 83 3HD2 LEU 83 19.539 -32.122 20.088 631 H THR 84 H THR 84 22.485 -27.715 20.700 632 HA THR 84 HA THR 84 22.945 -25.040 19.447 633 HB THR 84 HB THR 84 24.437 -24.645 21.457 634 HG1 THR 84 HG1 THR 84 24.660 -26.855 22.043 635 HG21 THR 84 1HG2 THR 84 21.530 -25.267 22.143 636 HG22 THR 84 2HG2 THR 84 22.101 -23.766 21.370 637 HG23 THR 84 3HG2 THR 84 22.621 -24.171 23.020 638 H ASP 85 H ASP 85 23.896 -25.922 17.616 639 HA ASP 85 HA ASP 85 26.690 -26.768 17.883 640 HB2 ASP 85 1HB ASP 85 25.017 -28.854 17.921 641 HB3 ASP 85 2HB ASP 85 24.879 -28.510 16.191 642 H GLU 86 H GLU 86 27.188 -27.213 15.270 643 HA GLU 86 HA GLU 86 27.358 -26.301 13.186 644 HB2 GLU 86 1HB GLU 86 24.826 -26.717 13.228 645 HB3 GLU 86 2HB GLU 86 24.657 -24.979 13.479 646 HG2 GLU 86 1HG GLU 86 25.987 -24.627 11.367 647 HG3 GLU 86 2HG GLU 86 25.907 -26.376 11.097 648 H LEU 87 H LEU 87 29.090 -25.051 13.795 649 HA LEU 87 HA LEU 87 28.940 -22.538 15.087 650 HB2 LEU 87 1HB LEU 87 31.011 -23.699 13.197 651 HB3 LEU 87 2HB LEU 87 31.224 -22.171 14.040 652 HG LEU 87 HG LEU 87 30.876 -24.848 15.431 653 HD11 LEU 87 1HD1 LEU 87 33.384 -23.214 14.875 654 HD12 LEU 87 2HD1 LEU 87 32.957 -24.767 14.120 655 HD13 LEU 87 3HD1 LEU 87 33.301 -24.694 15.862 656 HD21 LEU 87 1HD2 LEU 87 31.762 -23.597 17.403 657 HD22 LEU 87 2HD2 LEU 87 30.195 -22.976 16.857 658 HD23 LEU 87 3HD2 LEU 87 31.689 -22.091 16.459 659 H ALA 88 H ALA 88 28.506 -20.567 14.465 660 HA ALA 88 HA ALA 88 27.477 -20.169 11.801 661 HB1 ALA 88 1HB ALA 88 26.876 -17.935 12.644 662 HB2 ALA 88 2HB ALA 88 26.431 -19.180 13.833 663 HB3 ALA 88 3HB ALA 88 27.889 -18.190 14.085 664 HA PRO 89 HA PRO 89 31.190 -18.439 10.087 665 HB2 PRO 89 1HB PRO 89 30.216 -16.841 8.097 666 HB3 PRO 89 2HB PRO 89 30.122 -18.627 8.019 667 HG2 PRO 89 1HG PRO 89 28.041 -16.659 8.916 668 HG3 PRO 89 2HG PRO 89 27.894 -17.988 7.723 669 HD2 PRO 89 1HD PRO 89 27.095 -18.281 10.281 670 HD3 PRO 89 2HD PRO 89 27.866 -19.631 9.379 671 HA PRO 90 HA PRO 90 31.734 -14.600 12.086 672 HB2 PRO 90 1HB PRO 90 33.602 -13.239 10.640 673 HB3 PRO 90 2HB PRO 90 33.992 -14.754 11.516 674 HG2 PRO 90 1HG PRO 90 33.280 -14.387 8.618 675 HG3 PRO 90 2HG PRO 90 34.686 -15.240 9.332 676 HD2 PRO 90 1HD PRO 90 32.465 -16.566 8.556 677 HD3 PRO 90 2HD PRO 90 33.362 -17.058 10.031 678 H LYS 91 H LYS 91 31.479 -12.252 12.016 679 HA LYS 91 HA LYS 91 29.573 -11.382 9.904 680 HB2 LYS 91 1HB LYS 91 29.200 -9.439 11.451 681 HB3 LYS 91 2HB LYS 91 28.753 -11.000 12.142 682 HG2 LYS 91 1HG LYS 91 30.801 -11.045 13.486 683 HG3 LYS 91 2HG LYS 91 31.360 -9.545 12.727 684 HD2 LYS 91 1HD LYS 91 30.472 -9.030 14.910 685 HD3 LYS 91 2HD LYS 91 29.400 -8.349 13.680 686 HE2 LYS 91 1HE LYS 91 27.800 -10.192 13.999 687 HE3 LYS 91 2HE LYS 91 28.915 -10.978 15.145 688 HZ1 LYS 91 1HZ LYS 91 27.703 -8.308 15.539 689 HZ2 LYS 91 2HZ LYS 91 28.676 -9.127 16.615 690 HZ3 LYS 91 3HZ LYS 91 27.171 -9.693 16.244 691 HA PRO 92 HA PRO 92 32.934 -9.079 8.197 692 HB2 PRO 92 1HB PRO 92 31.693 -6.880 7.091 693 HB3 PRO 92 2HB PRO 92 31.600 -8.520 6.382 694 HG2 PRO 92 1HG PRO 92 29.644 -7.101 8.105 695 HG3 PRO 92 2HG PRO 92 29.367 -8.033 6.619 696 HD2 PRO 92 1HD PRO 92 28.938 -9.022 9.108 697 HD3 PRO 92 2HD PRO 92 29.484 -10.052 7.740 698 HA PRO 93 HA PRO 93 34.023 -6.212 11.340 699 HB2 PRO 93 1HB PRO 93 35.891 -4.596 10.201 700 HB3 PRO 93 2HB PRO 93 36.175 -6.354 10.419 701 HG2 PRO 93 1HG PRO 93 35.177 -4.899 7.984 702 HG3 PRO 93 2HG PRO 93 36.556 -6.035 8.130 703 HD2 PRO 93 1HD PRO 93 34.135 -6.863 7.286 704 HD3 PRO 93 2HD PRO 93 35.144 -7.898 8.354 705 H LEU 94 H LEU 94 34.383 -3.766 11.830 706 HA LEU 94 HA LEU 94 32.488 -2.075 10.292 707 HB2 LEU 94 1HB LEU 94 32.553 -2.627 13.270 708 HB3 LEU 94 2HB LEU 94 31.931 -1.106 12.652 709 HG LEU 94 HG LEU 94 30.790 -3.856 12.065 710 HD11 LEU 94 1HD1 LEU 94 28.900 -3.049 13.354 711 HD12 LEU 94 2HD1 LEU 94 29.698 -1.474 13.581 712 HD13 LEU 94 3HD1 LEU 94 30.384 -2.941 14.329 713 HD21 LEU 94 1HD2 LEU 94 29.851 -1.101 11.156 714 HD22 LEU 94 2HD2 LEU 94 28.932 -2.612 10.990 715 HD23 LEU 94 3HD2 LEU 94 30.451 -2.416 10.116 716 HA PRO 95 HA PRO 95 35.737 0.930 10.580 717 HB2 PRO 95 1HB PRO 95 34.352 3.257 10.350 718 HB3 PRO 95 2HB PRO 95 34.353 2.046 9.032 719 HG2 PRO 95 1HG PRO 95 32.358 2.425 11.235 720 HG3 PRO 95 2HG PRO 95 32.087 2.404 9.464 721 HD2 PRO 95 1HD PRO 95 31.712 0.198 10.949 722 HD3 PRO 95 2HD PRO 95 32.456 0.088 9.322 723 H GLU 96 H GLU 96 35.900 3.379 11.650 724 HA GLU 96 HA GLU 96 36.537 4.501 13.477 725 HB2 GLU 96 1HB GLU 96 33.972 4.248 13.886 726 HB3 GLU 96 2HB GLU 96 34.477 3.154 15.172 727 HG2 GLU 96 1HG GLU 96 35.944 5.013 16.055 728 HG3 GLU 96 2HG GLU 96 35.260 6.073 14.821 729 H GLY 97 H GLY 97 37.499 1.854 12.734 730 HA2 GLY 97 1HA GLY 97 39.227 1.555 15.085 731 HA3 GLY 97 2HA GLY 97 38.353 0.092 14.575 732 H GLU 98 H GLU 98 41.278 1.315 14.426 733 HA GLU 98 HA GLU 98 41.722 0.669 11.543 734 HB2 GLU 98 1HB GLU 98 43.347 2.379 13.461 735 HB3 GLU 98 2HB GLU 98 43.863 1.923 11.837 736 HG2 GLU 98 1HG GLU 98 43.025 4.089 11.575 737 HG3 GLU 98 2HG GLU 98 41.728 3.041 10.979 738 H VAL 99 H VAL 99 43.484 -0.623 10.986 739 HA VAL 99 HA VAL 99 44.417 -2.430 13.153 740 HB VAL 99 HB VAL 99 44.951 -4.030 11.307 741 HG11 VAL 99 1HG1 VAL 99 42.771 -4.148 12.549 742 HG12 VAL 99 2HG1 VAL 99 42.015 -3.090 11.348 743 HG13 VAL 99 3HG1 VAL 99 42.590 -4.699 10.876 744 HG21 VAL 99 1HG2 VAL 99 43.436 -2.080 9.453 745 HG22 VAL 99 2HG2 VAL 99 45.192 -2.345 9.414 746 HG23 VAL 99 3HG2 VAL 99 44.085 -3.665 9.018 747 HXT VAL 99 H02 VAL 99 47.630 -1.766 12.754 Start of MODEL 34 1 H2 GLY 1 2H0 GLY 1 1.740 0.182 -2.294 2 H GLY 1 1H0 GLY 1 2.714 -0.226 -3.532 3 HA2 GLY 1 1HA GLY 1 3.007 -1.113 -0.724 4 HA3 GLY 1 2HA GLY 1 4.018 -1.697 -2.066 5 H SER 2 H SER 2 5.472 -0.884 -0.202 6 HA SER 2 HA SER 2 5.963 1.998 -0.207 7 HB2 SER 2 1HB SER 2 7.658 -0.312 0.851 8 HB3 SER 2 2HB SER 2 7.883 1.414 1.223 9 HG SER 2 HG SER 2 6.671 0.669 2.871 10 H MET 3 H MET 3 7.411 3.117 -1.403 11 HA MET 3 HA MET 3 9.055 1.574 -3.365 12 HB2 MET 3 1HB MET 3 8.130 4.472 -3.401 13 HB3 MET 3 2HB MET 3 9.148 3.702 -4.636 14 HG2 MET 3 1HG MET 3 7.347 2.100 -5.135 15 HG3 MET 3 2HG MET 3 6.317 2.876 -3.913 16 HE1 MET 3 1HE MET 3 4.634 4.047 -7.263 17 HE2 MET 3 2HE MET 3 5.411 2.467 -6.989 18 HE3 MET 3 3HE MET 3 4.404 3.203 -5.713 19 H LYS 4 H LYS 4 9.354 3.045 -0.419 20 HA LYS 4 HA LYS 4 12.182 3.874 -0.910 21 HB2 LYS 4 1HB LYS 4 10.301 4.204 1.464 22 HB3 LYS 4 2HB LYS 4 12.050 4.438 1.590 23 HG2 LYS 4 1HG LYS 4 11.951 6.213 -0.101 24 HG3 LYS 4 2HG LYS 4 10.183 6.042 -0.179 25 HD2 LYS 4 1HD LYS 4 9.996 6.615 2.198 26 HD3 LYS 4 2HD LYS 4 11.764 6.715 2.330 27 HE2 LYS 4 1HE LYS 4 10.055 8.468 0.529 28 HE3 LYS 4 2HE LYS 4 10.642 8.941 2.130 29 HZ1 LYS 4 1HZ LYS 4 12.090 9.792 0.431 30 HZ2 LYS 4 2HZ LYS 4 12.340 8.292 -0.207 31 HZ3 LYS 4 3HZ LYS 4 12.908 8.660 1.299 32 H TYR 5 H TYR 5 13.746 2.527 -0.206 33 HA TYR 5 HA TYR 5 14.811 0.675 0.418 34 HB2 TYR 5 1HB TYR 5 12.580 0.569 2.417 35 HB3 TYR 5 2HB TYR 5 13.905 -0.570 2.388 36 HD1 TYR 5 HD1 TYR 5 16.338 0.819 2.011 37 HD2 TYR 5 HD2 TYR 5 12.826 2.209 4.091 38 HE1 TYR 5 HE1 TYR 5 17.749 2.351 3.357 39 HE2 TYR 5 HE2 TYR 5 14.270 3.748 5.440 40 HH TYR 5 HH TYR 5 17.827 3.866 5.024 41 H LEU 6 H LEU 6 14.839 -1.672 0.554 42 HA LEU 6 HA LEU 6 13.535 -2.704 -1.802 43 HB2 LEU 6 1HB LEU 6 15.080 -4.142 0.372 44 HB3 LEU 6 2HB LEU 6 14.693 -4.780 -1.218 45 HG LEU 6 HG LEU 6 16.568 -2.460 -0.698 46 HD11 LEU 6 1HD1 LEU 6 17.117 -5.400 -1.334 47 HD12 LEU 6 2HD1 LEU 6 17.430 -4.586 0.215 48 HD13 LEU 6 3HD1 LEU 6 18.349 -4.114 -1.229 49 HD21 LEU 6 1HD2 LEU 6 15.578 -2.353 -2.940 50 HD22 LEU 6 2HD2 LEU 6 15.991 -4.055 -3.237 51 HD23 LEU 6 3HD2 LEU 6 17.274 -2.833 -3.045 52 H ASN 7 H ASN 7 13.098 -3.230 1.689 53 HA ASN 7 HA ASN 7 11.523 -4.305 2.934 54 HB2 ASN 7 1HB ASN 7 9.719 -3.503 0.626 55 HB3 ASN 7 2HB ASN 7 9.175 -4.056 2.226 56 HD21 ASN 7 1HD2 ASN 7 10.298 -0.254 1.611 57 HD22 ASN 7 2HD2 ASN 7 10.265 -1.448 0.347 58 H VAL 8 H VAL 8 13.034 -6.200 1.767 59 HA VAL 8 HA VAL 8 11.088 -8.215 0.719 60 HB VAL 8 HB VAL 8 12.721 -9.097 -0.629 61 HG11 VAL 8 1HG1 VAL 8 14.217 -6.538 -0.001 62 HG12 VAL 8 2HG1 VAL 8 14.311 -7.504 -1.498 63 HG13 VAL 8 3HG1 VAL 8 12.807 -6.649 -1.100 64 HG21 VAL 8 1HG2 VAL 8 14.707 -8.537 1.580 65 HG22 VAL 8 2HG2 VAL 8 14.098 -10.101 1.030 66 HG23 VAL 8 3HG2 VAL 8 15.184 -9.154 -0.003 67 H LEU 9 H LEU 9 11.426 -10.460 1.622 68 HA LEU 9 HA LEU 9 12.036 -10.200 4.523 69 HB2 LEU 9 1HB LEU 9 10.713 -12.448 2.972 70 HB3 LEU 9 2HB LEU 9 10.933 -12.395 4.713 71 HG LEU 9 HG LEU 9 9.187 -10.527 3.078 72 HD11 LEU 9 1HD1 LEU 9 7.339 -11.674 4.225 73 HD12 LEU 9 2HD1 LEU 9 8.496 -12.734 5.062 74 HD13 LEU 9 3HD1 LEU 9 8.316 -12.829 3.291 75 HD21 LEU 9 1HD2 LEU 9 10.057 -9.301 4.994 76 HD22 LEU 9 2HD2 LEU 9 9.686 -10.647 6.088 77 HD23 LEU 9 3HD2 LEU 9 8.371 -9.735 5.316 78 H ALA 10 H ALA 10 13.599 -11.388 5.560 79 HA ALA 10 HA ALA 10 15.142 -13.345 3.911 80 HB1 ALA 10 1HB ALA 10 16.356 -11.161 5.640 81 HB2 ALA 10 2HB ALA 10 17.248 -12.433 4.767 82 HB3 ALA 10 3HB ALA 10 16.353 -11.191 3.865 83 H LYS 11 H LYS 11 16.021 -15.065 5.078 84 HA LYS 11 HA LYS 11 15.000 -15.301 7.888 85 HB2 LYS 11 1HB LYS 11 14.189 -17.033 6.409 86 HB3 LYS 11 2HB LYS 11 15.809 -17.399 5.834 87 HG2 LYS 11 1HG LYS 11 16.431 -18.369 7.922 88 HG3 LYS 11 2HG LYS 11 15.010 -17.715 8.747 89 HD2 LYS 11 1HD LYS 11 14.814 -19.748 6.509 90 HD3 LYS 11 2HD LYS 11 15.014 -20.196 8.219 91 HE2 LYS 11 1HE LYS 11 12.986 -18.780 8.744 92 HE3 LYS 11 2HE LYS 11 12.718 -18.635 6.998 93 HZ1 LYS 11 1HZ LYS 11 11.434 -20.428 7.971 94 HZ2 LYS 11 2HZ LYS 11 12.795 -21.170 8.523 95 HZ3 LYS 11 3HZ LYS 11 12.522 -21.043 6.897 96 H ALA 12 H ALA 12 16.343 -15.725 9.556 97 HA ALA 12 HA ALA 12 19.230 -15.467 9.202 98 HB1 ALA 12 1HB ALA 12 17.499 -16.254 11.565 99 HB2 ALA 12 2HB ALA 12 19.231 -15.885 11.630 100 HB3 ALA 12 3HB ALA 12 18.075 -14.617 11.176 101 H LEU 13 H LEU 13 20.653 -17.099 8.745 102 HA LEU 13 HA LEU 13 19.651 -19.902 8.837 103 HB2 LEU 13 1HB LEU 13 22.356 -18.768 8.100 104 HB3 LEU 13 2HB LEU 13 21.907 -20.444 7.987 105 HG LEU 13 HG LEU 13 21.801 -19.919 5.858 106 HD11 LEU 13 1HD1 LEU 13 19.053 -18.832 6.552 107 HD12 LEU 13 2HD1 LEU 13 19.467 -20.566 6.469 108 HD13 LEU 13 3HD1 LEU 13 19.562 -19.556 5.018 109 HD21 LEU 13 1HD2 LEU 13 21.485 -17.784 4.902 110 HD22 LEU 13 2HD2 LEU 13 22.531 -17.610 6.302 111 HD23 LEU 13 3HD2 LEU 13 20.816 -17.141 6.419 112 H TYR 14 H TYR 14 21.275 -17.641 10.768 113 HA TYR 14 HA TYR 14 22.082 -19.736 12.708 114 HB2 TYR 14 1HB TYR 14 23.893 -17.494 11.745 115 HB3 TYR 14 2HB TYR 14 24.251 -18.660 13.021 116 HD1 TYR 14 HD1 TYR 14 24.709 -21.062 12.447 117 HD2 TYR 14 HD2 TYR 14 24.092 -18.087 9.393 118 HE1 TYR 14 HE1 TYR 14 25.697 -22.580 10.753 119 HE2 TYR 14 HE2 TYR 14 25.031 -19.648 7.698 120 HH TYR 14 HH TYR 14 25.954 -21.721 7.308 121 H ASP 15 H ASP 15 22.556 -18.704 14.836 122 HA ASP 15 HA ASP 15 20.705 -16.578 15.479 123 HB2 ASP 15 1HB ASP 15 23.044 -17.753 17.040 124 HB3 ASP 15 2HB ASP 15 21.736 -16.772 17.719 125 H ASN 16 H ASN 16 21.356 -14.441 16.305 126 HA ASN 16 HA ASN 16 24.181 -13.696 15.722 127 HB2 ASN 16 1HB ASN 16 22.668 -13.014 13.773 128 HB3 ASN 16 2HB ASN 16 21.905 -11.882 14.907 129 HD21 ASN 16 1HD2 ASN 16 24.400 -9.491 14.387 130 HD22 ASN 16 2HD2 ASN 16 22.724 -9.872 14.756 131 H VAL 17 H VAL 17 25.049 -12.453 17.238 132 HA VAL 17 HA VAL 17 23.252 -11.387 19.362 133 HB VAL 17 HB VAL 17 26.228 -12.115 19.480 134 HG11 VAL 17 1HG1 VAL 17 24.317 -11.127 21.652 135 HG12 VAL 17 2HG1 VAL 17 25.988 -11.683 21.926 136 HG13 VAL 17 3HG1 VAL 17 25.695 -10.219 20.960 137 HG21 VAL 17 1HG2 VAL 17 24.821 -14.140 19.398 138 HG22 VAL 17 2HG2 VAL 17 25.483 -13.928 21.030 139 HG23 VAL 17 3HG2 VAL 17 23.787 -13.504 20.698 140 H ALA 18 H ALA 18 23.079 -9.264 19.316 141 HA ALA 18 HA ALA 18 24.569 -7.693 17.399 142 HB1 ALA 18 1HB ALA 18 22.572 -6.940 19.571 143 HB2 ALA 18 2HB ALA 18 23.244 -5.809 18.374 144 HB3 ALA 18 3HB ALA 18 22.237 -7.172 17.834 145 H GLU 19 H GLU 19 26.453 -6.707 17.736 146 HA GLU 19 HA GLU 19 27.372 -6.360 20.579 147 HB2 GLU 19 1HB GLU 19 28.949 -6.711 18.004 148 HB3 GLU 19 2HB GLU 19 29.662 -6.376 19.586 149 HG2 GLU 19 1HG GLU 19 28.774 -8.489 20.453 150 HG3 GLU 19 2HG GLU 19 27.985 -8.830 18.910 151 H SER 20 H SER 20 26.857 -4.900 17.420 152 HA SER 20 HA SER 20 27.949 -2.300 18.308 153 HB2 SER 20 1HB SER 20 26.355 -2.557 15.798 154 HB3 SER 20 2HB SER 20 27.947 -1.791 16.067 155 HG SER 20 HG SER 20 28.817 -3.938 16.174 156 HA PRO 21 HA PRO 21 23.957 -0.926 19.635 157 HB2 PRO 21 1HB PRO 21 24.080 1.764 19.148 158 HB3 PRO 21 2HB PRO 21 25.029 0.973 20.450 159 HG2 PRO 21 1HG PRO 21 25.913 1.722 17.670 160 HG3 PRO 21 2HG PRO 21 26.715 2.036 19.240 161 HD2 PRO 21 1HD PRO 21 27.444 0.008 17.672 162 HD3 PRO 21 2HD PRO 21 27.450 -0.119 19.457 163 H ASP 22 H ASP 22 25.081 -0.616 16.396 164 HA ASP 22 HA ASP 22 22.490 0.257 15.331 165 HB2 ASP 22 1HB ASP 22 25.224 0.420 14.568 166 HB3 ASP 22 2HB ASP 22 24.437 -0.619 13.380 167 H GLU 23 H GLU 23 23.852 -2.701 16.334 168 HA GLU 23 HA GLU 23 22.983 -4.183 13.947 169 HB2 GLU 23 1HB GLU 23 25.223 -4.461 15.090 170 HB3 GLU 23 2HB GLU 23 24.361 -5.211 16.431 171 HG2 GLU 23 1HG GLU 23 23.549 -6.985 14.906 172 HG3 GLU 23 2HG GLU 23 24.382 -6.194 13.569 173 H LEU 24 H LEU 24 21.594 -5.931 13.928 174 HA LEU 24 HA LEU 24 19.590 -5.963 16.134 175 HB2 LEU 24 1HB LEU 24 19.619 -7.201 13.374 176 HB3 LEU 24 2HB LEU 24 18.367 -7.519 14.563 177 HG LEU 24 HG LEU 24 19.024 -4.811 13.338 178 HD11 LEU 24 1HD1 LEU 24 18.001 -6.235 11.711 179 HD12 LEU 24 2HD1 LEU 24 16.759 -5.103 12.285 180 HD13 LEU 24 3HD1 LEU 24 16.770 -6.782 12.868 181 HD21 LEU 24 1HD2 LEU 24 16.877 -4.113 14.440 182 HD22 LEU 24 2HD2 LEU 24 18.198 -4.463 15.576 183 HD23 LEU 24 3HD2 LEU 24 16.884 -5.653 15.333 184 H SER 25 H SER 25 19.037 -7.721 17.287 185 HA SER 25 HA SER 25 20.891 -10.048 17.160 186 HB2 SER 25 1HB SER 25 19.547 -10.178 19.577 187 HB3 SER 25 2HB SER 25 21.182 -9.535 19.355 188 HG SER 25 HG SER 25 20.347 -7.488 19.187 189 H PHE 26 H PHE 26 20.008 -11.945 16.687 190 HA PHE 26 HA PHE 26 17.148 -12.463 17.096 191 HB2 PHE 26 1HB PHE 26 16.759 -13.039 14.704 192 HB3 PHE 26 2HB PHE 26 16.981 -11.330 15.025 193 HD1 PHE 26 HD1 PHE 26 18.976 -14.346 13.940 194 HD2 PHE 26 HD2 PHE 26 18.378 -10.092 13.693 195 HE1 PHE 26 HE1 PHE 26 20.667 -14.212 12.123 196 HE2 PHE 26 HE2 PHE 26 20.031 -9.957 11.878 197 HZ PHE 26 HZ PHE 26 21.166 -12.023 11.049 198 H ARG 27 H ARG 27 16.500 -14.626 16.105 199 HA ARG 27 HA ARG 27 18.574 -16.618 16.944 200 HB2 ARG 27 1HB ARG 27 16.296 -16.292 18.103 201 HB3 ARG 27 2HB ARG 27 15.547 -16.859 16.618 202 HG2 ARG 27 1HG ARG 27 15.525 -18.727 17.948 203 HG3 ARG 27 2HG ARG 27 16.954 -19.004 16.961 204 HD2 ARG 27 1HD ARG 27 18.358 -18.092 18.805 205 HD3 ARG 27 2HD ARG 27 16.893 -17.919 19.790 206 HE ARG 27 HE ARG 27 16.971 -20.578 18.861 207 HH11 ARG 27 1HH1 ARG 27 18.910 -18.548 20.989 208 HH12 ARG 27 2HH1 ARG 27 19.458 -19.902 21.940 209 HH21 ARG 27 1HH2 ARG 27 17.705 -22.256 20.123 210 HH22 ARG 27 2HH2 ARG 27 18.789 -21.965 21.453 211 H LYS 28 H LYS 28 18.799 -18.564 15.720 212 HA LYS 28 HA LYS 28 18.684 -18.400 12.861 213 HB2 LYS 28 1HB LYS 28 20.066 -20.045 14.103 214 HB3 LYS 28 2HB LYS 28 18.611 -20.809 14.744 215 HG2 LYS 28 1HG LYS 28 18.010 -21.694 12.588 216 HG3 LYS 28 2HG LYS 28 19.234 -20.702 11.772 217 HD2 LYS 28 1HD LYS 28 21.031 -21.920 12.997 218 HD3 LYS 28 2HD LYS 28 19.812 -22.941 13.780 219 HE2 LYS 28 1HE LYS 28 19.226 -23.984 11.680 220 HE3 LYS 28 2HE LYS 28 20.153 -22.773 10.771 221 HZ1 LYS 28 1HZ LYS 28 22.151 -23.577 11.917 222 HZ2 LYS 28 2HZ LYS 28 21.476 -24.721 10.945 223 HZ3 LYS 28 3HZ LYS 28 21.280 -24.808 12.578 224 H GLY 29 H GLY 29 17.046 -18.514 11.492 225 HA2 GLY 29 1HA GLY 29 15.009 -19.518 10.717 226 HA3 GLY 29 2HA GLY 29 14.515 -19.810 12.389 227 H ASP 30 H ASP 30 15.512 -16.795 12.828 228 HA ASP 30 HA ASP 30 12.860 -15.710 12.751 229 HB2 ASP 30 1HB ASP 30 15.602 -14.619 13.298 230 HB3 ASP 30 2HB ASP 30 14.320 -13.472 12.909 231 H ILE 31 H ILE 31 12.014 -13.989 11.550 232 HA ILE 31 HA ILE 31 13.210 -13.698 8.830 233 HB ILE 31 HB ILE 31 10.272 -13.488 9.642 234 HG12 ILE 31 1HG1 ILE 31 10.947 -15.811 9.656 235 HG13 ILE 31 2HG1 ILE 31 9.945 -15.486 8.239 236 HG21 ILE 31 1HG2 ILE 31 10.684 -11.948 7.827 237 HG22 ILE 31 2HG2 ILE 31 11.675 -13.137 6.950 238 HG23 ILE 31 3HG2 ILE 31 9.914 -13.382 7.110 239 HD11 ILE 31 1HD1 ILE 31 12.893 -16.050 8.374 240 HD12 ILE 31 2HD1 ILE 31 11.627 -16.877 7.442 241 HD13 ILE 31 3HD1 ILE 31 12.181 -15.269 6.942 242 H MET 32 H MET 32 13.836 -11.690 8.309 243 HA MET 32 HA MET 32 12.615 -9.412 9.817 244 HB2 MET 32 1HB MET 32 14.813 -8.287 9.764 245 HB3 MET 32 2HB MET 32 14.804 -9.744 10.744 246 HG2 MET 32 1HG MET 32 15.656 -10.784 8.382 247 HG3 MET 32 2HG MET 32 16.302 -9.148 8.269 248 HE1 MET 32 1HE MET 32 16.315 -12.619 10.062 249 HE2 MET 32 2HE MET 32 17.247 -12.333 11.544 250 HE3 MET 32 3HE MET 32 15.612 -11.657 11.376 251 H THR 33 H THR 33 12.601 -7.443 8.721 252 HA THR 33 HA THR 33 12.169 -7.816 5.814 253 HB THR 33 HB THR 33 11.674 -5.410 7.633 254 HG1 THR 33 HG1 THR 33 9.549 -6.105 7.543 255 HG21 THR 33 1HG2 THR 33 10.208 -4.675 5.751 256 HG22 THR 33 2HG2 THR 33 10.887 -6.000 4.765 257 HG23 THR 33 3HG2 THR 33 11.941 -4.681 5.358 258 H VAL 34 H VAL 34 13.919 -7.552 4.509 259 HA VAL 34 HA VAL 34 16.198 -5.952 5.370 260 HB VAL 34 HB VAL 34 15.670 -7.175 2.658 261 HG11 VAL 34 1HG1 VAL 34 18.163 -7.109 2.467 262 HG12 VAL 34 2HG1 VAL 34 17.435 -5.495 2.590 263 HG13 VAL 34 3HG1 VAL 34 18.227 -6.213 4.006 264 HG21 VAL 34 1HG2 VAL 34 17.171 -9.002 3.520 265 HG22 VAL 34 2HG2 VAL 34 16.973 -8.315 5.140 266 HG23 VAL 34 3HG2 VAL 34 15.563 -8.944 4.258 267 H LEU 35 H LEU 35 16.433 -3.886 5.074 268 HA LEU 35 HA LEU 35 14.515 -2.462 3.336 269 HB2 LEU 35 1HB LEU 35 16.485 -1.528 5.441 270 HB3 LEU 35 2HB LEU 35 15.354 -0.495 4.583 271 HG LEU 35 HG LEU 35 14.540 -2.820 6.363 272 HD11 LEU 35 1HD1 LEU 35 14.750 0.142 6.900 273 HD12 LEU 35 2HD1 LEU 35 15.631 -1.191 7.693 274 HD13 LEU 35 3HD1 LEU 35 13.881 -1.018 7.941 275 HD21 LEU 35 1HD2 LEU 35 12.821 -2.282 4.709 276 HD22 LEU 35 2HD2 LEU 35 12.934 -0.549 5.111 277 HD23 LEU 35 3HD2 LEU 35 12.313 -1.712 6.303 278 H GLU 36 H GLU 36 18.051 -2.745 3.943 279 HA GLU 36 HA GLU 36 18.423 -2.438 1.056 280 HB2 GLU 36 1HB GLU 36 19.754 -0.530 0.990 281 HB3 GLU 36 2HB GLU 36 18.410 -0.076 2.015 282 HG2 GLU 36 1HG GLU 36 19.872 -0.551 3.951 283 HG3 GLU 36 2HG GLU 36 21.204 -0.693 2.805 284 H ARG 37 H ARG 37 20.959 -2.510 0.630 285 HA ARG 37 HA ARG 37 22.167 -4.401 2.602 286 HB2 ARG 37 1HB ARG 37 22.381 -4.524 -0.416 287 HB3 ARG 37 2HB ARG 37 23.178 -5.600 0.730 288 HG2 ARG 37 1HG ARG 37 20.871 -6.344 1.481 289 HG3 ARG 37 2HG ARG 37 20.222 -5.418 0.114 290 HD2 ARG 37 1HD ARG 37 22.135 -7.763 0.023 291 HD3 ARG 37 2HD ARG 37 20.489 -7.721 -0.619 292 HE ARG 37 HE ARG 37 22.948 -6.548 -1.794 293 HH11 ARG 37 1HH1 ARG 37 19.425 -6.745 -2.040 294 HH12 ARG 37 2HH1 ARG 37 19.426 -6.143 -3.677 295 HH21 ARG 37 1HH2 ARG 37 22.862 -5.802 -3.851 296 HH22 ARG 37 2HH2 ARG 37 21.342 -5.606 -4.684 297 H ASP 38 H ASP 38 24.430 -4.184 2.745 298 HA ASP 38 HA ASP 38 26.381 -3.080 2.815 299 HB2 ASP 38 1HB ASP 38 25.713 -2.208 -0.005 300 HB3 ASP 38 2HB ASP 38 27.324 -2.387 0.718 301 H THR 39 H THR 39 24.184 -1.974 3.932 302 HA THR 39 HA THR 39 23.599 0.742 3.289 303 HB THR 39 HB THR 39 22.107 -0.636 4.649 304 HG1 THR 39 HG1 THR 39 21.741 1.422 5.182 305 HG21 THR 39 1HG2 THR 39 22.611 -1.171 6.953 306 HG22 THR 39 2HG2 THR 39 24.289 -0.659 6.711 307 HG23 THR 39 3HG2 THR 39 23.624 -2.042 5.804 308 H GLN 40 H GLN 40 24.282 2.655 4.165 309 HA GLN 40 HA GLN 40 25.795 4.190 4.878 310 HB2 GLN 40 1HB GLN 40 26.854 2.299 6.933 311 HB3 GLN 40 2HB GLN 40 26.722 4.048 7.007 312 HG2 GLN 40 1HG GLN 40 24.187 3.684 6.997 313 HG3 GLN 40 2HG GLN 40 24.527 1.979 7.258 314 HE21 GLN 40 1HE2 GLN 40 24.318 2.691 10.700 315 HE22 GLN 40 2HE2 GLN 40 23.558 1.936 9.314 316 H GLY 41 H GLY 41 26.699 1.659 3.164 317 HA2 GLY 41 1HA GLY 41 28.621 1.414 1.841 318 HA3 GLY 41 2HA GLY 41 29.476 2.605 2.842 319 H LEU 42 H LEU 42 27.753 0.204 4.643 320 HA LEU 42 HA LEU 42 30.320 -0.965 5.503 321 HB2 LEU 42 1HB LEU 42 27.456 -1.423 6.397 322 HB3 LEU 42 2HB LEU 42 28.891 -2.054 7.195 323 HG LEU 42 HG LEU 42 28.318 0.905 6.897 324 HD11 LEU 42 1HD1 LEU 42 27.709 -0.939 9.216 325 HD12 LEU 42 2HD1 LEU 42 26.518 -0.149 8.149 326 HD13 LEU 42 3HD1 LEU 42 27.536 0.830 9.218 327 HD21 LEU 42 1HD2 LEU 42 30.659 0.356 7.325 328 HD22 LEU 42 2HD2 LEU 42 30.170 -0.675 8.689 329 HD23 LEU 42 3HD2 LEU 42 29.917 1.076 8.774 330 H ASP 43 H ASP 43 30.982 -2.251 3.802 331 HA ASP 43 HA ASP 43 29.337 -3.816 2.147 332 HB2 ASP 43 1HB ASP 43 32.215 -4.120 3.019 333 HB3 ASP 43 2HB ASP 43 31.454 -5.287 1.932 334 H GLY 44 H GLY 44 28.205 -5.619 2.356 335 HA2 GLY 44 1HA GLY 44 27.791 -7.804 3.101 336 HA3 GLY 44 2HA GLY 44 29.072 -7.641 4.312 337 H TRP 45 H TRP 45 27.547 -4.929 5.067 338 HA TRP 45 HA TRP 45 25.815 -6.293 7.034 339 HB2 TRP 45 1HB TRP 45 26.883 -3.498 6.620 340 HB3 TRP 45 2HB TRP 45 25.654 -3.831 7.815 341 HD1 TRP 45 HD1 TRP 45 29.351 -3.961 7.318 342 HE1 TRP 45 HE1 TRP 45 30.559 -4.947 9.314 343 HE3 TRP 45 HE3 TRP 45 25.261 -5.841 9.676 344 HZ2 TRP 45 HZ2 TRP 45 29.823 -6.456 11.653 345 HZ3 TRP 45 HZ3 TRP 45 25.553 -7.052 11.834 346 HH2 TRP 45 HH2 TRP 45 27.815 -7.361 12.803 347 H TRP 46 H TRP 46 23.641 -6.357 6.838 348 HA TRP 46 HA TRP 46 22.445 -4.716 4.627 349 HB2 TRP 46 1HB TRP 46 21.604 -7.411 5.773 350 HB3 TRP 46 2HB TRP 46 20.715 -6.520 4.536 351 HD1 TRP 46 HD1 TRP 46 24.145 -5.971 3.503 352 HE1 TRP 46 HE1 TRP 46 24.996 -7.612 1.764 353 HE3 TRP 46 HE3 TRP 46 20.525 -9.534 4.090 354 HZ2 TRP 46 HZ2 TRP 46 24.216 -10.182 0.757 355 HZ3 TRP 46 HZ3 TRP 46 20.664 -11.622 2.730 356 HH2 TRP 46 HH2 TRP 46 22.464 -11.914 1.053 357 H LEU 47 H LEU 47 20.924 -3.269 5.167 358 HA LEU 47 HA LEU 47 20.252 -2.903 7.992 359 HB2 LEU 47 1HB LEU 47 20.522 -0.986 6.416 360 HB3 LEU 47 2HB LEU 47 19.185 -1.602 5.455 361 HG LEU 47 HG LEU 47 17.658 -1.204 7.332 362 HD11 LEU 47 1HD1 LEU 47 20.101 -0.032 8.683 363 HD12 LEU 47 2HD1 LEU 47 19.133 -1.423 9.226 364 HD13 LEU 47 3HD1 LEU 47 18.428 0.199 9.231 365 HD21 LEU 47 1HD2 LEU 47 18.017 0.507 5.586 366 HD22 LEU 47 2HD2 LEU 47 19.320 1.225 6.572 367 HD23 LEU 47 3HD2 LEU 47 17.646 1.235 7.158 368 H CYS 48 H CYS 48 18.643 -3.955 8.992 369 HA CYS 48 HA CYS 48 16.265 -4.673 7.348 370 HB2 CYS 48 1HB CYS 48 17.433 -6.523 9.449 371 HB3 CYS 48 2HB CYS 48 16.137 -6.860 8.306 372 HG CYS 48 HG CYS 48 19.340 -6.283 7.680 373 H SER 49 H SER 49 14.441 -5.374 8.789 374 HA SER 49 HA SER 49 14.501 -3.876 11.373 375 HB2 SER 49 1HB SER 49 12.817 -2.574 10.733 376 HB3 SER 49 2HB SER 49 13.057 -3.143 9.098 377 HG SER 49 HG SER 49 10.904 -3.443 9.768 378 H LEU 50 H LEU 50 13.830 -5.000 13.055 379 HA LEU 50 HA LEU 50 12.197 -7.467 12.728 380 HB2 LEU 50 1HB LEU 50 14.581 -8.174 12.461 381 HB3 LEU 50 2HB LEU 50 14.969 -7.370 13.979 382 HG LEU 50 HG LEU 50 12.950 -9.110 14.714 383 HD11 LEU 50 1HD1 LEU 50 14.794 -10.600 12.893 384 HD12 LEU 50 2HD1 LEU 50 13.123 -10.147 12.474 385 HD13 LEU 50 3HD1 LEU 50 13.441 -11.243 13.840 386 HD21 LEU 50 1HD2 LEU 50 15.954 -9.429 14.780 387 HD22 LEU 50 2HD2 LEU 50 14.800 -10.363 15.765 388 HD23 LEU 50 3HD2 LEU 50 14.934 -8.613 15.986 389 H HIS 51 H HIS 51 10.924 -7.709 14.565 390 HA HIS 51 HA HIS 51 9.870 -7.141 16.522 391 HB2 HIS 51 1HB HIS 51 12.673 -6.503 17.504 392 HB3 HIS 51 2HB HIS 51 11.254 -6.758 18.516 393 HD1 HIS 51 HD1 HIS 51 13.828 -8.559 18.752 394 HD2 HIS 51 HD2 HIS 51 10.411 -9.487 16.559 395 HE1 HIS 51 HE1 HIS 51 13.753 -11.084 18.531 396 H GLY 52 H GLY 52 10.320 -4.981 14.485 397 HA2 GLY 52 1HA GLY 52 9.612 -2.769 14.380 398 HA3 GLY 52 2HA GLY 52 9.349 -2.800 16.128 399 H ARG 53 H ARG 53 12.502 -3.835 15.229 400 HA ARG 53 HA ARG 53 13.600 -1.134 15.905 401 HB2 ARG 53 1HB ARG 53 13.786 -3.391 17.408 402 HB3 ARG 53 2HB ARG 53 15.135 -3.691 16.324 403 HG2 ARG 53 1HG ARG 53 14.874 -1.105 17.912 404 HG3 ARG 53 2HG ARG 53 15.619 -2.573 18.573 405 HD2 ARG 53 1HD ARG 53 17.135 -2.566 16.512 406 HD3 ARG 53 2HD ARG 53 16.570 -0.908 16.242 407 HE ARG 53 HE ARG 53 17.394 -1.129 18.936 408 HH11 ARG 53 1HH1 ARG 53 18.916 -1.124 15.719 409 HH12 ARG 53 2HH1 ARG 53 20.447 -0.600 16.377 410 HH21 ARG 53 1HH2 ARG 53 19.368 -0.436 19.637 411 HH22 ARG 53 2HH2 ARG 53 20.690 -0.191 18.510 412 H GLN 54 H GLN 54 15.197 -0.432 14.495 413 HA GLN 54 HA GLN 54 15.630 -2.122 12.078 414 HB2 GLN 54 1HB GLN 54 15.089 0.682 12.526 415 HB3 GLN 54 2HB GLN 54 16.663 0.488 11.724 416 HG2 GLN 54 1HG GLN 54 15.620 -0.816 9.978 417 HG3 GLN 54 2HG GLN 54 14.054 -0.721 10.802 418 HE21 GLN 54 1HE2 GLN 54 15.556 2.705 9.052 419 HE22 GLN 54 2HE2 GLN 54 16.655 1.511 9.685 420 H GLY 55 H GLY 55 17.766 -2.493 11.335 421 HA2 GLY 55 1HA GLY 55 20.044 -1.197 12.422 422 HA3 GLY 55 2HA GLY 55 19.748 -2.665 13.374 423 H ILE 56 H ILE 56 22.098 -2.522 12.132 424 HA ILE 56 HA ILE 56 21.929 -3.721 9.460 425 HB ILE 56 HB ILE 56 24.387 -3.726 9.491 426 HG12 ILE 56 1HG1 ILE 56 24.080 -2.799 12.387 427 HG13 ILE 56 2HG1 ILE 56 24.685 -4.368 11.877 428 HG21 ILE 56 1HG2 ILE 56 23.451 -1.089 10.723 429 HG22 ILE 56 2HG2 ILE 56 24.733 -1.356 9.507 430 HG23 ILE 56 3HG2 ILE 56 23.022 -1.591 9.076 431 HD11 ILE 56 1HD1 ILE 56 26.568 -3.102 10.692 432 HD12 ILE 56 2HD1 ILE 56 26.021 -1.666 11.591 433 HD13 ILE 56 3HD1 ILE 56 26.590 -3.106 12.463 434 H VAL 57 H VAL 57 22.785 -5.749 8.912 435 HA VAL 57 HA VAL 57 22.934 -7.776 11.097 436 HB VAL 57 HB VAL 57 21.266 -7.948 8.579 437 HG11 VAL 57 1HG1 VAL 57 20.469 -10.111 9.493 438 HG12 VAL 57 2HG1 VAL 57 22.150 -10.093 8.931 439 HG13 VAL 57 3HG1 VAL 57 21.795 -9.990 10.671 440 HG21 VAL 57 1HG2 VAL 57 19.334 -8.191 10.162 441 HG22 VAL 57 2HG2 VAL 57 20.460 -7.771 11.478 442 HG23 VAL 57 3HG2 VAL 57 20.119 -6.592 10.202 443 HA PRO 58 HA PRO 58 26.267 -8.895 8.332 444 HB2 PRO 58 1HB PRO 58 26.913 -11.380 9.298 445 HB3 PRO 58 2HB PRO 58 27.290 -9.869 10.186 446 HG2 PRO 58 1HG PRO 58 24.989 -11.745 10.577 447 HG3 PRO 58 2HG PRO 58 26.099 -11.044 11.791 448 HD2 PRO 58 1HD PRO 58 23.650 -9.996 11.282 449 HD3 PRO 58 2HD PRO 58 25.031 -8.979 11.745 450 H GLY 59 H GLY 59 25.630 -9.279 6.240 451 HA2 GLY 59 1HA GLY 59 23.487 -10.950 5.477 452 HA3 GLY 59 2HA GLY 59 24.791 -10.394 4.419 453 H ASN 60 H ASN 60 26.767 -11.791 6.276 454 HA ASN 60 HA ASN 60 27.000 -14.234 4.823 455 HB2 ASN 60 1HB ASN 60 28.657 -12.759 6.397 456 HB3 ASN 60 2HB ASN 60 28.253 -14.067 7.523 457 HD21 ASN 60 1HD2 ASN 60 29.640 -16.544 5.149 458 HD22 ASN 60 2HD2 ASN 60 28.106 -16.268 5.948 459 H ARG 61 H ARG 61 25.026 -13.417 7.561 460 HA ARG 61 HA ARG 61 24.608 -16.328 8.174 461 HB2 ARG 61 1HB ARG 61 24.188 -13.869 9.916 462 HB3 ARG 61 2HB ARG 61 23.781 -15.522 10.386 463 HG2 ARG 61 1HG ARG 61 26.133 -16.173 10.263 464 HG3 ARG 61 2HG ARG 61 26.581 -14.543 9.721 465 HD2 ARG 61 1HD ARG 61 25.769 -13.603 11.854 466 HD3 ARG 61 2HD ARG 61 25.276 -15.227 12.389 467 HE ARG 61 HE ARG 61 28.003 -15.387 11.672 468 HH11 ARG 61 1HH1 ARG 61 26.126 -13.653 14.137 469 HH12 ARG 61 2HH1 ARG 61 27.438 -13.720 15.281 470 HH21 ARG 61 1HH2 ARG 61 29.576 -15.425 13.156 471 HH22 ARG 61 2HH2 ARG 61 29.377 -14.678 14.736 472 H LEU 62 H LEU 62 23.338 -14.123 6.231 473 HA LEU 62 HA LEU 62 20.522 -14.708 7.031 474 HB2 LEU 62 1HB LEU 62 21.630 -12.281 7.194 475 HB3 LEU 62 2HB LEU 62 21.217 -12.255 5.486 476 HG LEU 62 HG LEU 62 18.861 -12.741 6.078 477 HD11 LEU 62 1HD1 LEU 62 19.122 -13.768 8.213 478 HD12 LEU 62 2HD1 LEU 62 18.057 -12.372 8.307 479 HD13 LEU 62 3HD1 LEU 62 19.728 -12.260 8.908 480 HD21 LEU 62 1HD2 LEU 62 20.143 -10.271 7.248 481 HD22 LEU 62 2HD2 LEU 62 18.398 -10.459 6.986 482 HD23 LEU 62 3HD2 LEU 62 19.502 -10.497 5.601 483 H LYS 63 H LYS 63 19.030 -15.149 5.465 484 HA LYS 63 HA LYS 63 20.104 -15.354 2.675 485 HB2 LYS 63 1HB LYS 63 19.858 -17.580 3.658 486 HB3 LYS 63 2HB LYS 63 18.182 -17.251 4.068 487 HG2 LYS 63 1HG LYS 63 17.546 -17.175 1.748 488 HG3 LYS 63 2HG LYS 63 19.219 -17.153 1.212 489 HD2 LYS 63 1HD LYS 63 17.971 -19.501 2.700 490 HD3 LYS 63 2HD LYS 63 18.030 -19.373 0.925 491 HE2 LYS 63 1HE LYS 63 20.504 -19.123 1.067 492 HE3 LYS 63 2HE LYS 63 20.410 -19.411 2.809 493 HZ1 LYS 63 1HZ LYS 63 19.611 -21.351 0.714 494 HZ2 LYS 63 2HZ LYS 63 19.497 -21.609 2.336 495 HZ3 LYS 63 3HZ LYS 63 20.976 -21.440 1.625 496 H ILE 64 H ILE 64 19.131 -14.081 1.342 497 HA ILE 64 HA ILE 64 16.647 -12.775 1.931 498 HB ILE 64 HB ILE 64 18.075 -13.177 -0.744 499 HG12 ILE 64 1HG1 ILE 64 19.560 -12.107 0.857 500 HG13 ILE 64 2HG1 ILE 64 19.049 -10.971 -0.371 501 HG21 ILE 64 1HG2 ILE 64 15.853 -12.466 -1.216 502 HG22 ILE 64 2HG2 ILE 64 15.851 -11.322 0.149 503 HG23 ILE 64 3HG2 ILE 64 16.846 -10.987 -1.287 504 HD11 ILE 64 1HD1 ILE 64 18.179 -11.060 2.545 505 HD12 ILE 64 2HD1 ILE 64 19.018 -9.751 1.684 506 HD13 ILE 64 3HD1 ILE 64 17.315 -10.086 1.331 507 H LEU 65 H LEU 65 14.619 -13.528 1.692 508 HA LEU 65 HA LEU 65 14.267 -16.155 0.330 509 HB2 LEU 65 1HB LEU 65 12.354 -14.588 2.086 510 HB3 LEU 65 2HB LEU 65 12.122 -16.223 1.472 511 HG LEU 65 HG LEU 65 14.194 -15.329 3.507 512 HD11 LEU 65 1HD1 LEU 65 11.919 -15.365 4.362 513 HD12 LEU 65 2HD1 LEU 65 12.802 -16.747 5.004 514 HD13 LEU 65 3HD1 LEU 65 11.643 -16.990 3.689 515 HD21 LEU 65 1HD2 LEU 65 14.661 -17.787 3.796 516 HD22 LEU 65 2HD2 LEU 65 15.192 -17.140 2.235 517 HD23 LEU 65 3HD2 LEU 65 13.693 -18.101 2.328 518 H VAL 66 H VAL 66 14.665 -14.969 -1.688 519 HA VAL 66 HA VAL 66 13.112 -12.851 -2.645 520 HB VAL 66 HB VAL 66 13.612 -14.535 -4.886 521 HG11 VAL 66 1HG1 VAL 66 13.884 -12.097 -4.811 522 HG12 VAL 66 2HG1 VAL 66 15.272 -12.273 -3.705 523 HG13 VAL 66 3HG1 VAL 66 15.378 -12.875 -5.377 524 HG21 VAL 66 1HG2 VAL 66 15.982 -14.623 -2.955 525 HG22 VAL 66 2HG2 VAL 66 14.970 -16.017 -3.426 526 HG23 VAL 66 3HG2 VAL 66 15.952 -15.191 -4.628 527 H GLY 67 H GLY 67 11.291 -12.597 -3.852 528 HA2 GLY 67 1HA GLY 67 9.288 -14.754 -3.702 529 HA3 GLY 67 2HA GLY 67 9.030 -13.084 -4.256 530 H MET 68 H MET 68 7.883 -14.588 -5.986 531 HA MET 68 HA MET 68 7.825 -15.451 -8.105 532 HB2 MET 68 1HB MET 68 8.966 -13.075 -8.324 533 HB3 MET 68 2HB MET 68 10.376 -14.016 -8.809 534 HG2 MET 68 1HG MET 68 7.951 -14.897 -10.191 535 HG3 MET 68 2HG MET 68 8.241 -13.168 -10.412 536 HE1 MET 68 1HE MET 68 11.694 -13.038 -12.232 537 HE2 MET 68 2HE MET 68 10.272 -12.116 -11.678 538 HE3 MET 68 3HE MET 68 11.403 -12.820 -10.492 539 H TYR 69 H TYR 69 8.812 -17.180 -6.296 540 HA TYR 69 HA TYR 69 10.877 -18.708 -7.827 541 HB2 TYR 69 1HB TYR 69 10.956 -17.678 -5.065 542 HB3 TYR 69 2HB TYR 69 11.097 -19.444 -5.145 543 HD1 TYR 69 HD1 TYR 69 12.618 -16.250 -6.389 544 HD2 TYR 69 HD2 TYR 69 13.147 -20.474 -5.786 545 HE1 TYR 69 HE1 TYR 69 15.038 -16.021 -6.918 546 HE2 TYR 69 HE2 TYR 69 15.585 -20.236 -6.306 547 HH TYR 69 HH TYR 69 17.256 -18.818 -6.948 548 H ASP 70 H ASP 70 10.316 -20.819 -8.070 549 HA ASP 70 HA ASP 70 7.647 -21.642 -7.527 550 HB2 ASP 70 1HB ASP 70 10.144 -23.189 -8.263 551 HB3 ASP 70 2HB ASP 70 8.531 -23.910 -8.174 552 H LYS 71 H LYS 71 6.757 -22.230 -5.718 553 HA LYS 71 HA LYS 71 8.286 -23.742 -3.661 554 HB2 LYS 71 1HB LYS 71 6.802 -21.107 -3.227 555 HB3 LYS 71 2HB LYS 71 7.254 -22.194 -1.902 556 HG2 LYS 71 1HG LYS 71 9.597 -21.835 -2.275 557 HG3 LYS 71 2HG LYS 71 9.297 -21.017 -3.814 558 HD2 LYS 71 1HD LYS 71 8.106 -19.208 -2.636 559 HD3 LYS 71 2HD LYS 71 8.536 -19.959 -1.080 560 HE2 LYS 71 1HE LYS 71 10.901 -19.646 -1.520 561 HE3 LYS 71 2HE LYS 71 10.571 -19.195 -3.194 562 HZ1 LYS 71 1HZ LYS 71 10.966 -17.206 -2.060 563 HZ2 LYS 71 2HZ LYS 71 9.972 -17.602 -0.789 564 HZ3 LYS 71 3HZ LYS 71 9.333 -17.257 -2.267 565 H LYS 72 H LYS 72 6.684 -24.721 -2.128 566 HA LYS 72 HA LYS 72 3.917 -24.809 -3.246 567 HB2 LYS 72 1HB LYS 72 3.837 -27.200 -3.024 568 HB3 LYS 72 2HB LYS 72 5.215 -26.814 -4.056 569 HG2 LYS 72 1HG LYS 72 6.776 -27.233 -2.229 570 HG3 LYS 72 2HG LYS 72 5.435 -27.389 -1.084 571 HD2 LYS 72 1HD LYS 72 4.595 -29.341 -2.465 572 HD3 LYS 72 2HD LYS 72 6.144 -29.279 -3.332 573 HE2 LYS 72 1HE LYS 72 6.329 -30.910 -1.544 574 HE3 LYS 72 2HE LYS 72 7.324 -29.496 -1.118 575 HZ1 LYS 72 1HZ LYS 72 5.528 -28.731 0.324 576 HZ2 LYS 72 2HZ LYS 72 5.952 -30.257 0.755 577 HZ3 LYS 72 3HZ LYS 72 4.572 -29.997 -0.110 578 HA PRO 73 HA PRO 73 3.147 -24.527 1.096 579 HB2 PRO 73 1HB PRO 73 0.638 -25.503 1.412 580 HB3 PRO 73 2HB PRO 73 0.937 -23.987 0.483 581 HG2 PRO 73 1HG PRO 73 0.557 -26.799 -0.519 582 HG3 PRO 73 2HG PRO 73 -0.264 -25.296 -1.041 583 HD2 PRO 73 1HD PRO 73 1.892 -26.336 -2.375 584 HD3 PRO 73 2HD PRO 73 1.587 -24.567 -2.261 585 H ALA 74 H ALA 74 2.630 -25.841 3.035 586 HA ALA 74 HA ALA 74 2.846 -27.612 4.414 587 HB1 ALA 74 1HB ALA 74 1.854 -29.289 2.078 588 HB2 ALA 74 2HB ALA 74 1.715 -29.671 3.809 589 HB3 ALA 74 3HB ALA 74 0.811 -28.305 3.129 590 H GLY 75 H GLY 75 3.629 -30.019 4.631 591 HA2 GLY 75 1HA GLY 75 5.406 -31.570 4.062 592 HA3 GLY 75 2HA GLY 75 6.308 -30.234 3.325 593 H SER 76 H SER 76 7.857 -31.398 4.993 594 HA SER 76 HA SER 76 9.085 -31.290 6.921 595 HB2 SER 76 1HB SER 76 8.944 -28.799 6.309 596 HB3 SER 76 2HB SER 76 7.713 -28.666 7.576 597 HG SER 76 HG SER 76 9.840 -28.210 8.329 598 H GLY 77 H GLY 77 8.541 -30.391 9.513 599 HA2 GLY 77 1HA GLY 77 7.184 -30.731 11.370 600 HA3 GLY 77 2HA GLY 77 5.893 -31.303 10.320 601 H GLY 78 H GLY 78 7.349 -33.463 9.066 602 HA2 GLY 78 1HA GLY 78 6.721 -35.481 10.936 603 HA3 GLY 78 2HA GLY 78 7.649 -35.712 9.455 604 H SER 79 H SER 79 9.854 -33.952 10.260 605 HA SER 79 HA SER 79 10.913 -35.046 12.751 606 HB2 SER 79 1HB SER 79 12.909 -36.049 11.672 607 HB3 SER 79 2HB SER 79 11.426 -36.893 11.176 608 HG SER 79 HG SER 79 12.981 -36.278 9.474 609 H GLY 80 H GLY 80 13.179 -34.074 13.065 610 HA2 GLY 80 1HA GLY 80 13.176 -31.316 12.023 611 HA3 GLY 80 2HA GLY 80 14.261 -31.989 13.262 612 H SER 81 H SER 81 15.035 -30.423 10.911 613 HA SER 81 HA SER 81 16.277 -32.387 9.082 614 HB2 SER 81 1HB SER 81 17.040 -30.346 7.882 615 HB3 SER 81 2HB SER 81 15.285 -30.340 8.157 616 HG SER 81 HG SER 81 17.269 -28.970 9.673 617 H GLY 82 H GLY 82 16.924 -31.595 12.083 618 HA2 GLY 82 1HA GLY 82 19.238 -32.367 12.834 619 HA3 GLY 82 2HA GLY 82 19.843 -31.088 11.749 620 H LEU 83 H LEU 83 20.235 -31.172 14.633 621 HA LEU 83 HA LEU 83 18.914 -28.598 15.365 622 HB2 LEU 83 1HB LEU 83 19.014 -31.140 17.055 623 HB3 LEU 83 2HB LEU 83 18.615 -29.552 17.693 624 HG LEU 83 HG LEU 83 16.962 -30.992 15.585 625 HD11 LEU 83 1HD1 LEU 83 16.519 -30.763 18.588 626 HD12 LEU 83 2HD1 LEU 83 16.990 -32.242 17.718 627 HD13 LEU 83 3HD1 LEU 83 15.410 -31.498 17.413 628 HD21 LEU 83 1HD2 LEU 83 16.388 -28.550 17.322 629 HD22 LEU 83 2HD2 LEU 83 15.216 -29.347 16.241 630 HD23 LEU 83 3HD2 LEU 83 16.649 -28.556 15.560 631 H THR 84 H THR 84 20.311 -27.338 16.542 632 HA THR 84 HA THR 84 22.370 -26.490 17.068 633 HB THR 84 HB THR 84 23.598 -27.869 18.887 634 HG1 THR 84 HG1 THR 84 22.533 -29.894 18.112 635 HG21 THR 84 1HG2 THR 84 21.863 -27.439 20.555 636 HG22 THR 84 2HG2 THR 84 20.652 -27.236 19.268 637 HG23 THR 84 3HG2 THR 84 22.001 -26.072 19.424 638 H ASP 85 H ASP 85 24.810 -27.966 17.754 639 HA ASP 85 HA ASP 85 26.759 -28.502 16.770 640 HB2 ASP 85 1HB ASP 85 24.930 -30.413 15.288 641 HB3 ASP 85 2HB ASP 85 26.698 -30.556 15.388 642 H GLU 86 H GLU 86 25.105 -26.403 15.213 643 HA GLU 86 HA GLU 86 26.811 -26.520 12.773 644 HB2 GLU 86 1HB GLU 86 24.453 -27.087 12.282 645 HB3 GLU 86 2HB GLU 86 23.940 -25.522 12.937 646 HG2 GLU 86 1HG GLU 86 24.873 -24.340 11.155 647 HG3 GLU 86 2HG GLU 86 25.989 -25.643 10.738 648 H LEU 87 H LEU 87 28.350 -25.110 13.203 649 HA LEU 87 HA LEU 87 27.834 -22.769 14.887 650 HB2 LEU 87 1HB LEU 87 30.329 -23.702 13.420 651 HB3 LEU 87 2HB LEU 87 30.269 -22.347 14.540 652 HG LEU 87 HG LEU 87 29.699 -25.241 15.288 653 HD11 LEU 87 1HD1 LEU 87 32.045 -24.905 14.664 654 HD12 LEU 87 2HD1 LEU 87 31.898 -25.137 16.416 655 HD13 LEU 87 3HD1 LEU 87 32.158 -23.507 15.762 656 HD21 LEU 87 1HD2 LEU 87 29.920 -24.408 17.631 657 HD22 LEU 87 2HD2 LEU 87 28.537 -23.690 16.777 658 HD23 LEU 87 3HD2 LEU 87 30.025 -22.738 17.007 659 H ALA 88 H ALA 88 28.092 -20.629 14.344 660 HA ALA 88 HA ALA 88 27.204 -20.019 11.663 661 HB1 ALA 88 1HB ALA 88 27.919 -18.110 13.919 662 HB2 ALA 88 2HB ALA 88 26.885 -17.778 12.508 663 HB3 ALA 88 3HB ALA 88 26.344 -18.922 13.754 664 HA PRO 89 HA PRO 89 31.168 -18.724 10.015 665 HB2 PRO 89 1HB PRO 89 30.337 -17.102 7.983 666 HB3 PRO 89 2HB PRO 89 30.109 -18.880 7.926 667 HG2 PRO 89 1HG PRO 89 28.180 -16.745 8.750 668 HG3 PRO 89 2HG PRO 89 27.953 -18.074 7.576 669 HD2 PRO 89 1HD PRO 89 27.080 -18.265 10.121 670 HD3 PRO 89 2HD PRO 89 27.752 -19.684 9.250 671 HA PRO 90 HA PRO 90 31.892 -14.854 11.945 672 HB2 PRO 90 1HB PRO 90 33.673 -13.492 10.377 673 HB3 PRO 90 2HB PRO 90 34.115 -14.990 11.273 674 HG2 PRO 90 1HG PRO 90 33.269 -14.676 8.401 675 HG3 PRO 90 2HG PRO 90 34.700 -15.526 9.071 676 HD2 PRO 90 1HD PRO 90 32.470 -16.859 8.402 677 HD3 PRO 90 2HD PRO 90 33.418 -17.324 9.851 678 H LYS 91 H LYS 91 31.625 -12.486 11.867 679 HA LYS 91 HA LYS 91 29.619 -11.651 9.811 680 HB2 LYS 91 1HB LYS 91 29.225 -9.719 11.363 681 HB3 LYS 91 2HB LYS 91 28.835 -11.281 12.081 682 HG2 LYS 91 1HG LYS 91 30.854 -11.249 13.425 683 HG3 LYS 91 2HG LYS 91 31.440 -9.807 12.583 684 HD2 LYS 91 1HD LYS 91 30.582 -9.118 14.737 685 HD3 LYS 91 2HD LYS 91 29.488 -8.518 13.487 686 HE2 LYS 91 1HE LYS 91 27.878 -10.326 13.986 687 HE3 LYS 91 2HE LYS 91 29.020 -11.031 15.152 688 HZ1 LYS 91 1HZ LYS 91 28.840 -8.970 16.461 689 HZ2 LYS 91 2HZ LYS 91 27.369 -9.718 16.299 690 HZ3 LYS 91 3HZ LYS 91 27.699 -8.377 15.401 691 HA PRO 92 HA PRO 92 32.889 -9.297 7.994 692 HB2 PRO 92 1HB PRO 92 31.588 -7.098 6.965 693 HB3 PRO 92 2HB PRO 92 31.424 -8.741 6.264 694 HG2 PRO 92 1HG PRO 92 29.617 -7.326 8.152 695 HG3 PRO 92 2HG PRO 92 29.219 -8.195 6.655 696 HD2 PRO 92 1HD PRO 92 28.944 -9.291 9.098 697 HD3 PRO 92 2HD PRO 92 29.440 -10.263 7.674 698 HA PRO 93 HA PRO 93 34.090 -6.426 11.092 699 HB2 PRO 93 1HB PRO 93 35.858 -4.746 9.895 700 HB3 PRO 93 2HB PRO 93 36.193 -6.496 10.077 701 HG2 PRO 93 1HG PRO 93 35.077 -5.024 7.705 702 HG3 PRO 93 2HG PRO 93 36.473 -6.146 7.782 703 HD2 PRO 93 1HD PRO 93 34.021 -6.977 7.022 704 HD3 PRO 93 2HD PRO 93 35.093 -8.030 8.006 705 H LEU 94 H LEU 94 34.305 -4.044 11.703 706 HA LEU 94 HA LEU 94 32.454 -2.292 10.191 707 HB2 LEU 94 1HB LEU 94 32.390 -3.043 13.128 708 HB3 LEU 94 2HB LEU 94 31.840 -1.458 12.609 709 HG LEU 94 HG LEU 94 30.641 -4.096 11.735 710 HD11 LEU 94 1HD1 LEU 94 29.591 -1.868 13.500 711 HD12 LEU 94 2HD1 LEU 94 30.252 -3.420 14.084 712 HD13 LEU 94 3HD1 LEU 94 28.765 -3.401 13.105 713 HD21 LEU 94 1HD2 LEU 94 28.845 -2.694 10.775 714 HD22 LEU 94 2HD2 LEU 94 30.378 -2.417 9.969 715 HD23 LEU 94 3HD2 LEU 94 29.772 -1.228 11.151 716 HA PRO 95 HA PRO 95 35.732 0.591 11.083 717 HB2 PRO 95 1HB PRO 95 34.497 2.974 10.749 718 HB3 PRO 95 2HB PRO 95 34.720 1.843 9.381 719 HG2 PRO 95 1HG PRO 95 32.300 2.276 11.133 720 HG3 PRO 95 2HG PRO 95 32.393 2.220 9.347 721 HD2 PRO 95 1HD PRO 95 31.671 0.042 10.881 722 HD3 PRO 95 2HD PRO 95 32.493 -0.112 9.310 723 H GLU 96 H GLU 96 36.298 2.427 12.485 724 HA GLU 96 HA GLU 96 34.903 2.298 15.115 725 HB2 GLU 96 1HB GLU 96 37.630 3.387 14.321 726 HB3 GLU 96 2HB GLU 96 36.958 3.427 15.960 727 HG2 GLU 96 1HG GLU 96 36.835 0.962 15.950 728 HG3 GLU 96 2HG GLU 96 37.590 0.937 14.343 729 H GLY 97 H GLY 97 33.178 3.522 13.821 730 HA2 GLY 97 1HA GLY 97 33.843 6.393 13.468 731 HA3 GLY 97 2HA GLY 97 32.381 5.572 12.911 732 H GLU 98 H GLU 98 31.934 7.908 14.099 733 HA GLU 98 HA GLU 98 31.580 7.734 16.966 734 HB2 GLU 98 1HB GLU 98 31.694 9.889 15.734 735 HB3 GLU 98 2HB GLU 98 30.197 9.485 14.891 736 HG2 GLU 98 1HG GLU 98 29.782 11.072 16.719 737 HG3 GLU 98 2HG GLU 98 28.957 9.527 17.008 738 H VAL 99 H VAL 99 29.843 7.037 18.124 739 HA VAL 99 HA VAL 99 27.604 5.748 16.607 740 HB VAL 99 HB VAL 99 27.581 4.024 18.442 741 HG11 VAL 99 1HG1 VAL 99 28.618 3.563 16.215 742 HG12 VAL 99 2HG1 VAL 99 30.184 4.122 16.813 743 HG13 VAL 99 3HG1 VAL 99 29.441 2.672 17.499 744 HG21 VAL 99 1HG2 VAL 99 29.574 3.715 19.892 745 HG22 VAL 99 2HG2 VAL 99 30.390 5.102 19.153 746 HG23 VAL 99 3HG2 VAL 99 28.949 5.351 20.162 747 HXT VAL 99 H02 VAL 99 26.268 8.264 18.677 Start of MODEL 35 1 H2 GLY 1 2H0 GLY 1 5.148 4.116 -1.760 2 H GLY 1 1H0 GLY 1 4.652 5.239 -2.830 3 HA2 GLY 1 1HA GLY 1 5.018 7.042 -1.235 4 HA3 GLY 1 2HA GLY 1 3.899 5.813 -0.594 5 H SER 2 H SER 2 6.777 7.471 -0.256 6 HA SER 2 HA SER 2 8.359 7.772 1.322 7 HB2 SER 2 1HB SER 2 7.816 7.433 3.666 8 HB3 SER 2 2HB SER 2 6.467 8.156 2.777 9 HG SER 2 HG SER 2 5.898 5.691 2.604 10 H MET 3 H MET 3 7.559 4.435 0.814 11 HA MET 3 HA MET 3 9.137 3.015 2.518 12 HB2 MET 3 1HB MET 3 8.945 2.550 -0.480 13 HB3 MET 3 2HB MET 3 9.410 1.351 0.727 14 HG2 MET 3 1HG MET 3 6.704 2.703 0.507 15 HG3 MET 3 2HG MET 3 7.094 1.052 0.010 16 HE1 MET 3 1HE MET 3 4.953 0.312 1.501 17 HE2 MET 3 2HE MET 3 4.817 0.645 3.244 18 HE3 MET 3 3HE MET 3 4.713 1.984 2.074 19 H LYS 4 H LYS 4 10.495 3.997 -0.658 20 HA LYS 4 HA LYS 4 12.636 4.247 -1.391 21 HB2 LYS 4 1HB LYS 4 13.199 5.182 1.432 22 HB3 LYS 4 2HB LYS 4 14.232 5.446 0.028 23 HG2 LYS 4 1HG LYS 4 12.370 6.718 -1.040 24 HG3 LYS 4 2HG LYS 4 11.478 6.589 0.495 25 HD2 LYS 4 1HD LYS 4 13.398 7.671 1.666 26 HD3 LYS 4 2HD LYS 4 14.241 7.815 0.112 27 HE2 LYS 4 1HE LYS 4 13.225 9.938 0.577 28 HE3 LYS 4 2HE LYS 4 12.287 9.186 -0.732 29 HZ1 LYS 4 1HZ LYS 4 10.833 10.099 0.958 30 HZ2 LYS 4 2HZ LYS 4 11.548 9.209 2.149 31 HZ3 LYS 4 3HZ LYS 4 10.695 8.451 0.968 32 H TYR 5 H TYR 5 11.984 1.607 0.064 33 HA TYR 5 HA TYR 5 14.819 0.730 0.210 34 HB2 TYR 5 1HB TYR 5 12.567 0.318 2.192 35 HB3 TYR 5 2HB TYR 5 13.949 -0.777 2.109 36 HD1 TYR 5 HD1 TYR 5 12.749 1.943 3.874 37 HD2 TYR 5 HD2 TYR 5 16.328 0.675 1.873 38 HE1 TYR 5 HE1 TYR 5 14.103 3.451 5.320 39 HE2 TYR 5 HE2 TYR 5 17.681 2.181 3.315 40 HH TYR 5 HH TYR 5 17.664 3.672 5.018 41 H LEU 6 H LEU 6 14.986 -1.659 0.269 42 HA LEU 6 HA LEU 6 13.715 -2.796 -2.052 43 HB2 LEU 6 1HB LEU 6 15.191 -4.148 0.230 44 HB3 LEU 6 2HB LEU 6 14.873 -4.842 -1.348 45 HG LEU 6 HG LEU 6 16.731 -2.516 -0.835 46 HD11 LEU 6 1HD1 LEU 6 18.521 -4.160 -1.240 47 HD12 LEU 6 2HD1 LEU 6 17.308 -5.449 -1.422 48 HD13 LEU 6 3HD1 LEU 6 17.525 -4.641 0.152 49 HD21 LEU 6 1HD2 LEU 6 16.227 -4.140 -3.356 50 HD22 LEU 6 2HD2 LEU 6 17.497 -2.906 -3.144 51 HD23 LEU 6 3HD2 LEU 6 15.796 -2.438 -3.091 52 H ASN 7 H ASN 7 13.280 -3.137 1.449 53 HA ASN 7 HA ASN 7 11.667 -4.099 2.751 54 HB2 ASN 7 1HB ASN 7 9.909 -3.300 0.412 55 HB3 ASN 7 2HB ASN 7 9.316 -3.772 2.012 56 HD21 ASN 7 1HD2 ASN 7 10.477 -0.780 3.609 57 HD22 ASN 7 2HD2 ASN 7 10.348 -2.502 3.862 58 H VAL 8 H VAL 8 13.071 -6.127 1.778 59 HA VAL 8 HA VAL 8 11.082 -8.102 0.729 60 HB VAL 8 HB VAL 8 12.714 -9.042 -0.587 61 HG11 VAL 8 1HG1 VAL 8 14.302 -6.536 0.051 62 HG12 VAL 8 2HG1 VAL 8 14.365 -7.511 -1.433 63 HG13 VAL 8 3HG1 VAL 8 12.900 -6.585 -1.058 64 HG21 VAL 8 1HG2 VAL 8 14.639 -8.562 1.679 65 HG22 VAL 8 2HG2 VAL 8 14.032 -10.095 1.042 66 HG23 VAL 8 3HG2 VAL 8 15.167 -9.137 0.087 67 H LEU 9 H LEU 9 11.376 -10.360 1.651 68 HA LEU 9 HA LEU 9 11.972 -10.146 4.559 69 HB2 LEU 9 1HB LEU 9 10.658 -12.365 2.959 70 HB3 LEU 9 2HB LEU 9 10.870 -12.339 4.710 71 HG LEU 9 HG LEU 9 9.149 -10.413 3.110 72 HD11 LEU 9 1HD1 LEU 9 7.278 -11.629 4.131 73 HD12 LEU 9 2HD1 LEU 9 8.417 -12.739 4.931 74 HD13 LEU 9 3HD1 LEU 9 8.279 -12.716 3.155 75 HD21 LEU 9 1HD2 LEU 9 8.254 -9.755 5.349 76 HD22 LEU 9 2HD2 LEU 9 9.952 -9.309 5.116 77 HD23 LEU 9 3HD2 LEU 9 9.539 -10.727 6.112 78 H ALA 10 H ALA 10 13.498 -11.453 5.594 79 HA ALA 10 HA ALA 10 15.032 -13.352 3.881 80 HB1 ALA 10 1HB ALA 10 16.276 -11.195 5.626 81 HB2 ALA 10 2HB ALA 10 17.152 -12.477 4.753 82 HB3 ALA 10 3HB ALA 10 16.273 -11.240 3.844 83 H LYS 11 H LYS 11 15.949 -15.070 5.039 84 HA LYS 11 HA LYS 11 14.941 -15.350 7.850 85 HB2 LYS 11 1HB LYS 11 14.089 -17.026 6.339 86 HB3 LYS 11 2HB LYS 11 15.699 -17.436 5.765 87 HG2 LYS 11 1HG LYS 11 16.287 -18.403 7.889 88 HG3 LYS 11 2HG LYS 11 14.819 -17.777 8.656 89 HD2 LYS 11 1HD LYS 11 14.754 -19.780 6.385 90 HD3 LYS 11 2HD LYS 11 14.863 -20.249 8.096 91 HE2 LYS 11 1HE LYS 11 12.784 -18.932 8.552 92 HE3 LYS 11 2HE LYS 11 12.630 -18.660 6.801 93 HZ1 LYS 11 1HZ LYS 11 12.490 -21.067 6.510 94 HZ2 LYS 11 2HZ LYS 11 11.296 -20.533 7.521 95 HZ3 LYS 11 3HZ LYS 11 12.614 -21.307 8.139 96 H ALA 12 H ALA 12 16.301 -15.773 9.502 97 HA ALA 12 HA ALA 12 19.171 -15.458 9.125 98 HB1 ALA 12 1HB ALA 12 18.040 -14.650 11.159 99 HB2 ALA 12 2HB ALA 12 17.465 -16.284 11.524 100 HB3 ALA 12 3HB ALA 12 19.193 -15.927 11.594 101 H LEU 13 H LEU 13 20.617 -17.068 8.589 102 HA LEU 13 HA LEU 13 19.713 -19.896 8.718 103 HB2 LEU 13 1HB LEU 13 22.374 -18.662 7.959 104 HB3 LEU 13 2HB LEU 13 22.000 -20.366 7.884 105 HG LEU 13 HG LEU 13 21.836 -19.899 5.728 106 HD11 LEU 13 1HD1 LEU 13 19.056 -18.936 6.484 107 HD12 LEU 13 2HD1 LEU 13 19.555 -20.648 6.399 108 HD13 LEU 13 3HD1 LEU 13 19.569 -19.639 4.940 109 HD21 LEU 13 1HD2 LEU 13 21.392 -17.794 4.728 110 HD22 LEU 13 2HD2 LEU 13 22.461 -17.533 6.108 111 HD23 LEU 13 3HD2 LEU 13 20.724 -17.157 6.250 112 H TYR 14 H TYR 14 21.383 -17.564 10.585 113 HA TYR 14 HA TYR 14 22.173 -19.617 12.572 114 HB2 TYR 14 1HB TYR 14 23.986 -17.390 11.556 115 HB3 TYR 14 2HB TYR 14 24.356 -18.554 12.831 116 HD1 TYR 14 HD1 TYR 14 24.238 -17.963 9.221 117 HD2 TYR 14 HD2 TYR 14 24.752 -20.973 12.254 118 HE1 TYR 14 HE1 TYR 14 25.170 -19.521 7.519 119 HE2 TYR 14 HE2 TYR 14 25.717 -22.507 10.559 120 HH TYR 14 HH TYR 14 26.303 -22.805 8.372 121 H ASP 15 H ASP 15 22.519 -18.650 14.666 122 HA ASP 15 HA ASP 15 20.689 -16.501 15.277 123 HB2 ASP 15 1HB ASP 15 22.936 -17.702 16.950 124 HB3 ASP 15 2HB ASP 15 21.484 -16.876 17.551 125 H ASN 16 H ASN 16 21.312 -14.434 16.299 126 HA ASN 16 HA ASN 16 24.138 -13.636 15.832 127 HB2 ASN 16 1HB ASN 16 22.619 -12.931 13.879 128 HB3 ASN 16 2HB ASN 16 21.879 -11.799 15.021 129 HD21 ASN 16 1HD2 ASN 16 24.371 -9.442 14.475 130 HD22 ASN 16 2HD2 ASN 16 22.686 -9.813 14.822 131 H VAL 17 H VAL 17 24.965 -12.523 17.452 132 HA VAL 17 HA VAL 17 23.109 -11.363 19.472 133 HB VAL 17 HB VAL 17 26.044 -12.191 19.715 134 HG11 VAL 17 1HG1 VAL 17 24.101 -11.110 21.816 135 HG12 VAL 17 2HG1 VAL 17 25.757 -11.689 22.126 136 HG13 VAL 17 3HG1 VAL 17 25.502 -10.239 21.141 137 HG21 VAL 17 1HG2 VAL 17 24.544 -14.155 19.609 138 HG22 VAL 17 2HG2 VAL 17 25.198 -13.955 21.253 139 HG23 VAL 17 3HG2 VAL 17 23.525 -13.462 20.887 140 H ALA 18 H ALA 18 23.032 -9.219 19.405 141 HA ALA 18 HA ALA 18 24.559 -7.756 17.449 142 HB1 ALA 18 1HB ALA 18 22.245 -7.148 17.955 143 HB2 ALA 18 2HB ALA 18 22.672 -6.840 19.654 144 HB3 ALA 18 3HB ALA 18 23.327 -5.809 18.374 145 H GLU 19 H GLU 19 26.411 -6.717 17.710 146 HA GLU 19 HA GLU 19 27.490 -6.387 20.485 147 HB2 GLU 19 1HB GLU 19 28.883 -6.677 17.803 148 HB3 GLU 19 2HB GLU 19 29.714 -6.291 19.317 149 HG2 GLU 19 1HG GLU 19 29.033 -8.414 20.292 150 HG3 GLU 19 2HG GLU 19 28.037 -8.794 18.888 151 H SER 20 H SER 20 26.938 -4.872 17.339 152 HA SER 20 HA SER 20 27.801 -2.218 18.348 153 HB2 SER 20 1HB SER 20 28.278 -2.694 16.009 154 HB3 SER 20 2HB SER 20 26.616 -3.230 15.728 155 HG SER 20 HG SER 20 27.327 -0.949 15.145 156 HA PRO 21 HA PRO 21 23.700 -1.416 19.785 157 HB2 PRO 21 1HB PRO 21 23.556 1.320 19.563 158 HB3 PRO 21 2HB PRO 21 24.562 0.506 20.804 159 HG2 PRO 21 1HG PRO 21 25.401 1.552 18.097 160 HG3 PRO 21 2HG PRO 21 26.142 1.860 19.697 161 HD2 PRO 21 1HD PRO 21 27.151 0.025 18.074 162 HD3 PRO 21 2HD PRO 21 27.047 -0.263 19.848 163 H ASP 22 H ASP 22 24.853 -0.648 16.613 164 HA ASP 22 HA ASP 22 22.205 0.098 15.559 165 HB2 ASP 22 1HB ASP 22 24.996 -0.169 14.407 166 HB3 ASP 22 2HB ASP 22 23.591 0.102 13.374 167 H GLU 23 H GLU 23 23.813 -2.778 16.373 168 HA GLU 23 HA GLU 23 22.965 -4.216 13.955 169 HB2 GLU 23 1HB GLU 23 25.189 -4.518 15.062 170 HB3 GLU 23 2HB GLU 23 24.359 -5.231 16.444 171 HG2 GLU 23 1HG GLU 23 23.514 -7.030 15.014 172 HG3 GLU 23 2HG GLU 23 24.291 -6.283 13.610 173 H LEU 24 H LEU 24 21.529 -5.962 13.940 174 HA LEU 24 HA LEU 24 19.544 -5.920 16.151 175 HB2 LEU 24 1HB LEU 24 19.515 -7.228 13.424 176 HB3 LEU 24 2HB LEU 24 18.259 -7.462 14.626 177 HG LEU 24 HG LEU 24 19.015 -4.808 13.347 178 HD11 LEU 24 1HD1 LEU 24 17.950 -6.205 11.728 179 HD12 LEU 24 2HD1 LEU 24 16.744 -5.040 12.302 180 HD13 LEU 24 3HD1 LEU 24 16.713 -6.714 12.891 181 HD21 LEU 24 1HD2 LEU 24 16.821 -5.575 15.315 182 HD22 LEU 24 2HD2 LEU 24 16.887 -4.035 14.422 183 HD23 LEU 24 3HD2 LEU 24 18.164 -4.431 15.583 184 H SER 25 H SER 25 18.980 -7.622 17.381 185 HA SER 25 HA SER 25 20.782 -9.984 17.260 186 HB2 SER 25 1HB SER 25 19.945 -10.301 19.654 187 HB3 SER 25 2HB SER 25 21.017 -8.913 19.377 188 HG SER 25 HG SER 25 19.245 -8.255 20.589 189 H PHE 26 H PHE 26 19.938 -11.859 16.783 190 HA PHE 26 HA PHE 26 17.082 -12.463 17.152 191 HB2 PHE 26 1HB PHE 26 16.792 -13.107 14.764 192 HB3 PHE 26 2HB PHE 26 16.901 -11.374 15.038 193 HD1 PHE 26 HD1 PHE 26 18.861 -14.345 13.900 194 HD2 PHE 26 HD2 PHE 26 18.516 -10.054 13.963 195 HE1 PHE 26 HE1 PHE 26 20.635 -14.184 12.177 196 HE2 PHE 26 HE2 PHE 26 20.273 -9.884 12.232 197 HZ PHE 26 HZ PHE 26 21.336 -11.973 11.323 198 H ARG 27 H ARG 27 16.714 -14.741 16.144 199 HA ARG 27 HA ARG 27 19.139 -16.388 16.768 200 HB2 ARG 27 1HB ARG 27 17.864 -17.935 17.929 201 HB3 ARG 27 2HB ARG 27 17.152 -16.404 18.414 202 HG2 ARG 27 1HG ARG 27 16.016 -18.412 16.449 203 HG3 ARG 27 2HG ARG 27 15.409 -18.029 18.063 204 HD2 ARG 27 1HD ARG 27 15.009 -15.690 17.283 205 HD3 ARG 27 2HD ARG 27 15.504 -16.191 15.670 206 HE ARG 27 HE ARG 27 13.542 -17.447 15.412 207 HH11 ARG 27 1HH1 ARG 27 13.568 -15.828 18.545 208 HH12 ARG 27 2HH1 ARG 27 11.860 -16.051 18.781 209 HH21 ARG 27 1HH2 ARG 27 11.369 -17.698 15.786 210 HH22 ARG 27 2HH2 ARG 27 10.639 -17.102 17.252 211 H LYS 28 H LYS 28 18.924 -18.676 15.686 212 HA LYS 28 HA LYS 28 18.745 -18.296 12.851 213 HB2 LYS 28 1HB LYS 28 20.061 -20.106 13.868 214 HB3 LYS 28 2HB LYS 28 18.595 -20.827 14.558 215 HG2 LYS 28 1HG LYS 28 17.730 -21.303 12.336 216 HG3 LYS 28 2HG LYS 28 19.105 -20.496 11.588 217 HD2 LYS 28 1HD LYS 28 20.624 -22.188 12.543 218 HD3 LYS 28 2HD LYS 28 19.233 -22.997 13.301 219 HE2 LYS 28 1HE LYS 28 18.201 -23.342 11.096 220 HE3 LYS 28 2HE LYS 28 19.543 -22.477 10.315 221 HZ1 LYS 28 1HZ LYS 28 19.947 -24.938 11.882 222 HZ2 LYS 28 2HZ LYS 28 21.015 -24.194 10.884 223 HZ3 LYS 28 3HZ LYS 28 19.685 -24.929 10.248 224 H GLY 29 H GLY 29 17.164 -18.532 11.418 225 HA2 GLY 29 1HA GLY 29 15.165 -19.404 10.570 226 HA3 GLY 29 2HA GLY 29 14.676 -19.904 12.192 227 H ASP 30 H ASP 30 15.681 -16.797 12.637 228 HA ASP 30 HA ASP 30 12.961 -15.824 12.830 229 HB2 ASP 30 1HB ASP 30 15.463 -15.061 13.819 230 HB3 ASP 30 2HB ASP 30 15.052 -13.760 12.702 231 H ILE 31 H ILE 31 12.136 -13.928 11.695 232 HA ILE 31 HA ILE 31 13.201 -13.717 8.903 233 HB ILE 31 HB ILE 31 10.287 -13.526 9.796 234 HG12 ILE 31 1HG1 ILE 31 10.998 -15.847 9.746 235 HG13 ILE 31 2HG1 ILE 31 9.923 -15.509 8.399 236 HG21 ILE 31 1HG2 ILE 31 10.648 -11.944 7.991 237 HG22 ILE 31 2HG2 ILE 31 11.619 -13.114 7.067 238 HG23 ILE 31 3HG2 ILE 31 9.866 -13.368 7.272 239 HD11 ILE 31 1HD1 ILE 31 12.876 -16.025 8.323 240 HD12 ILE 31 2HD1 ILE 31 11.571 -16.874 7.483 241 HD13 ILE 31 3HD1 ILE 31 12.052 -15.250 6.956 242 H MET 32 H MET 32 13.849 -11.722 8.382 243 HA MET 32 HA MET 32 12.623 -9.424 9.856 244 HB2 MET 32 1HB MET 32 14.819 -8.310 9.825 245 HB3 MET 32 2HB MET 32 14.826 -9.779 10.782 246 HG2 MET 32 1HG MET 32 15.689 -10.806 8.457 247 HG3 MET 32 2HG MET 32 16.276 -9.154 8.279 248 HE1 MET 32 1HE MET 32 15.835 -11.578 11.566 249 HE2 MET 32 2HE MET 32 16.349 -12.532 10.152 250 HE3 MET 32 3HE MET 32 17.471 -12.276 11.508 251 H THR 33 H THR 33 12.625 -7.457 8.727 252 HA THR 33 HA THR 33 12.237 -7.884 5.819 253 HB THR 33 HB THR 33 11.715 -5.451 7.592 254 HG1 THR 33 HG1 THR 33 9.598 -6.151 7.490 255 HG21 THR 33 1HG2 THR 33 10.299 -4.713 5.665 256 HG22 THR 33 2HG2 THR 33 10.984 -6.044 4.692 257 HG23 THR 33 3HG2 THR 33 12.041 -4.730 5.296 258 H VAL 34 H VAL 34 14.000 -7.650 4.542 259 HA VAL 34 HA VAL 34 16.278 -6.013 5.393 260 HB VAL 34 HB VAL 34 15.764 -7.314 2.708 261 HG11 VAL 34 1HG1 VAL 34 17.466 -5.574 2.549 262 HG12 VAL 34 2HG1 VAL 34 18.311 -6.224 3.974 263 HG13 VAL 34 3HG1 VAL 34 18.242 -7.161 2.462 264 HG21 VAL 34 1HG2 VAL 34 17.355 -9.055 3.577 265 HG22 VAL 34 2HG2 VAL 34 17.160 -8.338 5.188 266 HG23 VAL 34 3HG2 VAL 34 15.759 -9.041 4.344 267 H LEU 35 H LEU 35 16.483 -3.948 5.045 268 HA LEU 35 HA LEU 35 14.501 -2.606 3.300 269 HB2 LEU 35 1HB LEU 35 16.464 -1.598 5.375 270 HB3 LEU 35 2HB LEU 35 15.316 -0.591 4.512 271 HG LEU 35 HG LEU 35 14.555 -2.898 6.335 272 HD11 LEU 35 1HD1 LEU 35 15.611 -1.202 7.604 273 HD12 LEU 35 2HD1 LEU 35 13.863 -1.102 7.879 274 HD13 LEU 35 3HD1 LEU 35 14.664 0.076 6.810 275 HD21 LEU 35 1HD2 LEU 35 12.882 -0.712 5.039 276 HD22 LEU 35 2HD2 LEU 35 12.307 -1.854 6.277 277 HD23 LEU 35 3HD2 LEU 35 12.815 -2.457 4.692 278 H GLU 36 H GLU 36 18.042 -2.765 3.944 279 HA GLU 36 HA GLU 36 18.421 -2.536 1.040 280 HB2 GLU 36 1HB GLU 36 19.753 -0.636 0.957 281 HB3 GLU 36 2HB GLU 36 18.392 -0.152 1.955 282 HG2 GLU 36 1HG GLU 36 19.808 -0.575 3.916 283 HG3 GLU 36 2HG GLU 36 21.158 -0.788 2.807 284 H ARG 37 H ARG 37 20.946 -2.660 0.627 285 HA ARG 37 HA ARG 37 22.135 -4.480 2.683 286 HB2 ARG 37 1HB ARG 37 22.414 -4.654 -0.323 287 HB3 ARG 37 2HB ARG 37 23.192 -5.714 0.856 288 HG2 ARG 37 1HG ARG 37 20.865 -6.476 1.540 289 HG3 ARG 37 2HG ARG 37 20.254 -5.570 0.140 290 HD2 ARG 37 1HD ARG 37 22.070 -7.973 0.188 291 HD3 ARG 37 2HD ARG 37 20.551 -7.772 -0.694 292 HE ARG 37 HE ARG 37 23.250 -6.772 -1.433 293 HH11 ARG 37 1HH1 ARG 37 19.803 -6.688 -2.237 294 HH12 ARG 37 2HH1 ARG 37 20.099 -6.023 -3.820 295 HH21 ARG 37 1HH2 ARG 37 23.542 -5.935 -3.436 296 HH22 ARG 37 2HH2 ARG 37 22.190 -5.615 -4.491 297 H ASP 38 H ASP 38 24.409 -4.263 2.828 298 HA ASP 38 HA ASP 38 26.378 -3.180 2.815 299 HB2 ASP 38 1HB ASP 38 25.678 -2.393 -0.015 300 HB3 ASP 38 2HB ASP 38 27.291 -2.630 0.675 301 H THR 39 H THR 39 24.189 -2.014 3.905 302 HA THR 39 HA THR 39 23.638 0.689 3.188 303 HB THR 39 HB THR 39 22.115 -0.627 4.583 304 HG1 THR 39 HG1 THR 39 21.756 1.430 5.075 305 HG21 THR 39 1HG2 THR 39 24.293 -0.624 6.651 306 HG22 THR 39 2HG2 THR 39 23.618 -2.025 5.780 307 HG23 THR 39 3HG2 THR 39 22.604 -1.118 6.904 308 H GLN 40 H GLN 40 24.337 2.620 4.025 309 HA GLN 40 HA GLN 40 25.840 4.149 4.759 310 HB2 GLN 40 1HB GLN 40 26.803 2.244 6.860 311 HB3 GLN 40 2HB GLN 40 26.727 3.989 6.916 312 HG2 GLN 40 1HG GLN 40 24.218 3.756 6.830 313 HG3 GLN 40 2HG GLN 40 24.432 2.022 7.035 314 HE21 GLN 40 1HE2 GLN 40 24.243 2.464 10.481 315 HE22 GLN 40 2HE2 GLN 40 23.600 1.711 9.035 316 H GLY 41 H GLY 41 26.740 1.648 3.054 317 HA2 GLY 41 1HA GLY 41 28.675 1.393 1.765 318 HA3 GLY 41 2HA GLY 41 29.530 2.549 2.807 319 H LEU 42 H LEU 42 27.780 0.192 4.589 320 HA LEU 42 HA LEU 42 30.309 -1.042 5.424 321 HB2 LEU 42 1HB LEU 42 27.450 -1.445 6.337 322 HB3 LEU 42 2HB LEU 42 28.889 -2.068 7.136 323 HG LEU 42 HG LEU 42 28.311 0.881 6.818 324 HD11 LEU 42 1HD1 LEU 42 26.516 -0.147 8.084 325 HD12 LEU 42 2HD1 LEU 42 27.565 0.794 9.171 326 HD13 LEU 42 3HD1 LEU 42 27.699 -0.982 9.130 327 HD21 LEU 42 1HD2 LEU 42 29.876 1.087 8.684 328 HD22 LEU 42 2HD2 LEU 42 30.622 0.367 7.250 329 HD23 LEU 42 3HD2 LEU 42 30.163 -0.669 8.626 330 H ASP 43 H ASP 43 30.878 -2.277 3.630 331 HA ASP 43 HA ASP 43 29.160 -3.886 2.078 332 HB2 ASP 43 1HB ASP 43 32.088 -3.868 2.681 333 HB3 ASP 43 2HB ASP 43 31.424 -5.383 2.043 334 H GLY 44 H GLY 44 28.083 -5.704 2.369 335 HA2 GLY 44 1HA GLY 44 27.738 -7.874 3.187 336 HA3 GLY 44 2HA GLY 44 29.063 -7.667 4.334 337 H TRP 45 H TRP 45 27.532 -4.944 5.109 338 HA TRP 45 HA TRP 45 25.847 -6.287 7.133 339 HB2 TRP 45 1HB TRP 45 26.914 -3.507 6.652 340 HB3 TRP 45 2HB TRP 45 25.679 -3.780 7.836 341 HD1 TRP 45 HD1 TRP 45 29.382 -3.849 7.458 342 HE1 TRP 45 HE1 TRP 45 30.561 -4.746 9.518 343 HE3 TRP 45 HE3 TRP 45 25.285 -5.826 9.738 344 HZ2 TRP 45 HZ2 TRP 45 29.785 -6.156 11.901 345 HZ3 TRP 45 HZ3 TRP 45 25.552 -6.941 11.942 346 HH2 TRP 45 HH2 TRP 45 27.774 -7.103 13.008 347 H TRP 46 H TRP 46 23.645 -6.379 6.911 348 HA TRP 46 HA TRP 46 22.452 -4.767 4.680 349 HB2 TRP 46 1HB TRP 46 21.569 -7.413 5.901 350 HB3 TRP 46 2HB TRP 46 20.681 -6.527 4.661 351 HD1 TRP 46 HD1 TRP 46 24.160 -6.136 3.643 352 HE1 TRP 46 HE1 TRP 46 24.950 -7.827 1.934 353 HE3 TRP 46 HE3 TRP 46 20.292 -9.478 4.143 354 HZ2 TRP 46 HZ2 TRP 46 24.045 -10.353 0.931 355 HZ3 TRP 46 HZ3 TRP 46 20.355 -11.568 2.793 356 HH2 TRP 46 HH2 TRP 46 22.200 -11.990 1.181 357 H LEU 47 H LEU 47 20.914 -3.305 5.188 358 HA LEU 47 HA LEU 47 20.252 -2.867 8.014 359 HB2 LEU 47 1HB LEU 47 20.523 -0.990 6.397 360 HB3 LEU 47 2HB LEU 47 19.196 -1.637 5.451 361 HG LEU 47 HG LEU 47 17.642 -1.168 7.270 362 HD11 LEU 47 1HD1 LEU 47 19.023 -1.378 9.211 363 HD12 LEU 47 2HD1 LEU 47 18.371 0.264 9.168 364 HD13 LEU 47 3HD1 LEU 47 20.053 -0.028 8.679 365 HD21 LEU 47 1HD2 LEU 47 19.345 1.219 6.509 366 HD22 LEU 47 2HD2 LEU 47 17.660 1.274 7.068 367 HD23 LEU 47 3HD2 LEU 47 18.059 0.508 5.518 368 H CYS 48 H CYS 48 18.650 -3.928 9.018 369 HA CYS 48 HA CYS 48 16.309 -4.716 7.366 370 HB2 CYS 48 1HB CYS 48 17.449 -6.532 9.515 371 HB3 CYS 48 2HB CYS 48 16.209 -6.896 8.320 372 HG CYS 48 HG CYS 48 19.424 -6.262 7.814 373 H SER 49 H SER 49 14.468 -5.392 8.788 374 HA SER 49 HA SER 49 14.477 -3.855 11.350 375 HB2 SER 49 1HB SER 49 12.786 -2.579 10.661 376 HB3 SER 49 2HB SER 49 13.088 -3.166 9.030 377 HG SER 49 HG SER 49 10.899 -3.432 9.765 378 H LEU 50 H LEU 50 13.841 -4.964 13.044 379 HA LEU 50 HA LEU 50 12.175 -7.415 12.773 380 HB2 LEU 50 1HB LEU 50 14.568 -8.148 12.494 381 HB3 LEU 50 2HB LEU 50 14.957 -7.370 14.031 382 HG LEU 50 HG LEU 50 12.892 -9.065 14.725 383 HD11 LEU 50 1HD1 LEU 50 13.022 -10.076 12.479 384 HD12 LEU 50 2HD1 LEU 50 13.279 -11.197 13.831 385 HD13 LEU 50 3HD1 LEU 50 14.666 -10.607 12.890 386 HD21 LEU 50 1HD2 LEU 50 15.879 -9.467 14.786 387 HD22 LEU 50 2HD2 LEU 50 14.715 -10.421 15.730 388 HD23 LEU 50 3HD2 LEU 50 14.875 -8.678 16.028 389 H HIS 51 H HIS 51 10.901 -7.594 14.584 390 HA HIS 51 HA HIS 51 9.856 -6.994 16.538 391 HB2 HIS 51 1HB HIS 51 12.691 -6.496 17.525 392 HB3 HIS 51 2HB HIS 51 11.255 -6.706 18.529 393 HD1 HIS 51 HD1 HIS 51 13.771 -8.614 18.691 394 HD2 HIS 51 HD2 HIS 51 10.289 -9.379 16.543 395 HE1 HIS 51 HE1 HIS 51 13.611 -11.123 18.422 396 H GLY 52 H GLY 52 10.406 -4.800 14.544 397 HA2 GLY 52 1HA GLY 52 9.742 -2.580 14.500 398 HA3 GLY 52 2HA GLY 52 9.546 -2.617 16.256 399 H ARG 53 H ARG 53 12.647 -3.720 15.313 400 HA ARG 53 HA ARG 53 13.807 -1.030 15.924 401 HB2 ARG 53 1HB ARG 53 14.071 -3.214 17.462 402 HB3 ARG 53 2HB ARG 53 15.276 -3.647 16.258 403 HG2 ARG 53 1HG ARG 53 15.304 -1.125 17.969 404 HG3 ARG 53 2HG ARG 53 16.263 -2.581 18.264 405 HD2 ARG 53 1HD ARG 53 17.237 -2.213 15.916 406 HD3 ARG 53 2HD ARG 53 16.536 -0.598 15.998 407 HE ARG 53 HE ARG 53 18.918 -1.578 17.356 408 HH11 ARG 53 1HH1 ARG 53 16.433 0.937 17.446 409 HH12 ARG 53 2HH1 ARG 53 17.482 2.064 18.256 410 HH21 ARG 53 1HH2 ARG 53 20.204 -0.066 18.359 411 HH22 ARG 53 2HH2 ARG 53 19.556 1.502 18.778 412 H GLN 54 H GLN 54 15.239 -0.288 14.383 413 HA GLN 54 HA GLN 54 15.625 -1.996 11.972 414 HB2 GLN 54 1HB GLN 54 14.940 0.775 12.413 415 HB3 GLN 54 2HB GLN 54 16.488 0.679 11.547 416 HG2 GLN 54 1HG GLN 54 15.447 -0.746 9.882 417 HG3 GLN 54 2HG GLN 54 13.911 -0.673 10.762 418 HE21 GLN 54 1HE2 GLN 54 15.223 2.657 8.730 419 HE22 GLN 54 2HE2 GLN 54 16.380 1.492 9.323 420 H GLY 55 H GLY 55 17.721 -2.540 11.383 421 HA2 GLY 55 1HA GLY 55 20.000 -1.074 12.324 422 HA3 GLY 55 2HA GLY 55 19.726 -2.489 13.340 423 H ILE 56 H ILE 56 22.082 -2.469 12.183 424 HA ILE 56 HA ILE 56 21.946 -3.705 9.511 425 HB ILE 56 HB ILE 56 24.415 -3.676 9.555 426 HG12 ILE 56 1HG1 ILE 56 24.084 -2.652 12.425 427 HG13 ILE 56 2HG1 ILE 56 24.685 -4.245 11.980 428 HG21 ILE 56 1HG2 ILE 56 24.701 -1.285 9.545 429 HG22 ILE 56 2HG2 ILE 56 23.015 -1.573 9.084 430 HG23 ILE 56 3HG2 ILE 56 23.405 -1.033 10.739 431 HD11 ILE 56 1HD1 ILE 56 26.595 -2.962 12.501 432 HD12 ILE 56 2HD1 ILE 56 26.560 -3.006 10.724 433 HD13 ILE 56 3HD1 ILE 56 26.012 -1.549 11.595 434 H VAL 57 H VAL 57 22.817 -5.724 8.997 435 HA VAL 57 HA VAL 57 23.025 -7.713 11.214 436 HB VAL 57 HB VAL 57 21.279 -7.987 8.748 437 HG11 VAL 57 1HG1 VAL 57 22.195 -10.089 9.175 438 HG12 VAL 57 2HG1 VAL 57 21.882 -9.916 10.914 439 HG13 VAL 57 3HG1 VAL 57 20.532 -10.097 9.777 440 HG21 VAL 57 1HG2 VAL 57 20.157 -6.566 10.318 441 HG22 VAL 57 2HG2 VAL 57 19.394 -8.171 10.381 442 HG23 VAL 57 3HG2 VAL 57 20.553 -7.683 11.643 443 HA PRO 58 HA PRO 58 26.270 -8.836 8.347 444 HB2 PRO 58 1HB PRO 58 26.918 -11.345 9.232 445 HB3 PRO 58 2HB PRO 58 27.363 -9.855 10.125 446 HG2 PRO 58 1HG PRO 58 25.044 -11.713 10.613 447 HG3 PRO 58 2HG PRO 58 26.221 -11.038 11.791 448 HD2 PRO 58 1HD PRO 58 23.762 -9.943 11.397 449 HD3 PRO 58 2HD PRO 58 25.183 -8.946 11.791 450 H GLY 59 H GLY 59 25.649 -9.211 6.288 451 HA2 GLY 59 1HA GLY 59 23.409 -10.755 5.529 452 HA3 GLY 59 2HA GLY 59 24.710 -10.215 4.463 453 H ASN 60 H ASN 60 26.697 -11.752 6.142 454 HA ASN 60 HA ASN 60 26.701 -14.184 4.653 455 HB2 ASN 60 1HB ASN 60 28.533 -12.826 6.112 456 HB3 ASN 60 2HB ASN 60 28.142 -14.110 7.261 457 HD21 ASN 60 1HD2 ASN 60 29.213 -16.636 4.759 458 HD22 ASN 60 2HD2 ASN 60 27.730 -16.286 5.629 459 H ARG 61 H ARG 61 24.917 -13.312 7.497 460 HA ARG 61 HA ARG 61 24.422 -16.206 8.081 461 HB2 ARG 61 1HB ARG 61 23.988 -13.741 9.806 462 HB3 ARG 61 2HB ARG 61 23.567 -15.391 10.273 463 HG2 ARG 61 1HG ARG 61 25.979 -16.023 10.065 464 HG3 ARG 61 2HG ARG 61 26.362 -14.323 9.730 465 HD2 ARG 61 1HD ARG 61 25.397 -13.682 11.922 466 HD3 ARG 61 2HD ARG 61 25.037 -15.384 12.252 467 HE ARG 61 HE ARG 61 27.812 -15.121 11.618 468 HH11 ARG 61 1HH1 ARG 61 25.585 -14.364 14.273 469 HH12 ARG 61 2HH1 ARG 61 26.867 -14.414 15.452 470 HH21 ARG 61 1HH2 ARG 61 29.336 -15.196 13.169 471 HH22 ARG 61 2HH2 ARG 61 28.951 -14.877 14.845 472 H LEU 62 H LEU 62 23.173 -13.953 6.129 473 HA LEU 62 HA LEU 62 20.353 -14.640 6.856 474 HB2 LEU 62 1HB LEU 62 21.655 -12.135 5.917 475 HB3 LEU 62 2HB LEU 62 20.099 -12.531 5.202 476 HG LEU 62 HG LEU 62 20.653 -12.164 8.146 477 HD11 LEU 62 1HD1 LEU 62 19.128 -10.500 6.110 478 HD12 LEU 62 2HD1 LEU 62 20.718 -10.098 6.810 479 HD13 LEU 62 3HD1 LEU 62 19.280 -10.136 7.850 480 HD21 LEU 62 1HD2 LEU 62 18.880 -13.723 8.047 481 HD22 LEU 62 2HD2 LEU 62 18.108 -12.886 6.688 482 HD23 LEU 62 3HD2 LEU 62 18.118 -12.156 8.308 483 H LYS 63 H LYS 63 18.871 -15.001 5.296 484 HA LYS 63 HA LYS 63 19.940 -15.365 2.520 485 HB2 LYS 63 1HB LYS 63 19.687 -17.588 3.562 486 HB3 LYS 63 2HB LYS 63 18.015 -17.229 3.978 487 HG2 LYS 63 1HG LYS 63 17.385 -17.150 1.631 488 HG3 LYS 63 2HG LYS 63 19.073 -17.304 1.118 489 HD2 LYS 63 1HD LYS 63 17.602 -19.416 2.734 490 HD3 LYS 63 2HD LYS 63 17.698 -19.416 0.959 491 HE2 LYS 63 1HE LYS 63 20.167 -19.427 1.104 492 HE3 LYS 63 2HE LYS 63 20.056 -19.505 2.869 493 HZ1 LYS 63 1HZ LYS 63 20.423 -21.688 1.892 494 HZ2 LYS 63 2HZ LYS 63 19.037 -21.578 1.009 495 HZ3 LYS 63 3HZ LYS 63 18.959 -21.643 2.659 496 H ILE 64 H ILE 64 18.973 -14.095 1.201 497 HA ILE 64 HA ILE 64 16.533 -12.719 1.840 498 HB ILE 64 HB ILE 64 17.871 -13.180 -0.865 499 HG12 ILE 64 1HG1 ILE 64 19.394 -12.101 0.755 500 HG13 ILE 64 2HG1 ILE 64 18.955 -11.044 -0.576 501 HG21 ILE 64 1HG2 ILE 64 15.734 -11.268 0.066 502 HG22 ILE 64 2HG2 ILE 64 16.684 -10.978 -1.403 503 HG23 ILE 64 3HG2 ILE 64 15.659 -12.425 -1.279 504 HD11 ILE 64 1HD1 ILE 64 17.316 -9.855 0.907 505 HD12 ILE 64 2HD1 ILE 64 17.846 -10.890 2.254 506 HD13 ILE 64 3HD1 ILE 64 18.982 -9.760 1.494 507 H LEU 65 H LEU 65 14.517 -13.425 1.698 508 HA LEU 65 HA LEU 65 14.014 -15.974 0.238 509 HB2 LEU 65 1HB LEU 65 12.206 -14.370 2.092 510 HB3 LEU 65 2HB LEU 65 11.884 -15.982 1.440 511 HG LEU 65 HG LEU 65 14.045 -15.223 3.441 512 HD11 LEU 65 1HD1 LEU 65 11.467 -16.814 3.686 513 HD12 LEU 65 2HD1 LEU 65 11.787 -15.185 4.339 514 HD13 LEU 65 3HD1 LEU 65 12.665 -16.576 4.973 515 HD21 LEU 65 1HD2 LEU 65 14.421 -17.704 3.688 516 HD22 LEU 65 2HD2 LEU 65 14.954 -17.059 2.124 517 HD23 LEU 65 3HD2 LEU 65 13.417 -17.962 2.237 518 H VAL 66 H VAL 66 14.010 -15.316 -1.855 519 HA VAL 66 HA VAL 66 12.950 -12.788 -2.711 520 HB VAL 66 HB VAL 66 13.524 -15.310 -4.355 521 HG11 VAL 66 1HG1 VAL 66 13.251 -12.397 -5.215 522 HG12 VAL 66 2HG1 VAL 66 13.739 -13.748 -6.266 523 HG13 VAL 66 3HG1 VAL 66 12.111 -13.716 -5.584 524 HG21 VAL 66 1HG2 VAL 66 15.708 -14.164 -4.886 525 HG22 VAL 66 2HG2 VAL 66 15.303 -12.908 -3.692 526 HG23 VAL 66 3HG2 VAL 66 15.555 -14.583 -3.167 527 H GLY 67 H GLY 67 10.879 -12.225 -2.989 528 HA2 GLY 67 1HA GLY 67 8.778 -14.124 -2.472 529 HA3 GLY 67 2HA GLY 67 8.573 -12.444 -2.993 530 H MET 68 H MET 68 6.934 -14.447 -3.924 531 HA MET 68 HA MET 68 5.937 -15.188 -5.813 532 HB2 MET 68 1HB MET 68 6.691 -12.932 -6.699 533 HB3 MET 68 2HB MET 68 8.038 -13.771 -7.462 534 HG2 MET 68 1HG MET 68 6.453 -15.158 -8.749 535 HG3 MET 68 2HG MET 68 5.099 -14.314 -7.983 536 HE1 MET 68 1HE MET 68 7.935 -12.631 -11.248 537 HE2 MET 68 2HE MET 68 8.618 -13.026 -9.652 538 HE3 MET 68 3HE MET 68 7.873 -14.305 -10.642 539 H TYR 69 H TYR 69 9.479 -15.598 -5.877 540 HA TYR 69 HA TYR 69 9.209 -17.976 -7.591 541 HB2 TYR 69 1HB TYR 69 11.562 -16.586 -6.278 542 HB3 TYR 69 2HB TYR 69 11.708 -18.080 -7.203 543 HD1 TYR 69 HD1 TYR 69 11.020 -14.438 -7.436 544 HD2 TYR 69 HD2 TYR 69 11.518 -18.106 -9.633 545 HE1 TYR 69 HE1 TYR 69 11.286 -13.144 -9.554 546 HE2 TYR 69 HE2 TYR 69 11.792 -16.807 -11.744 547 HH TYR 69 HH TYR 69 11.847 -14.726 -12.702 548 H ASP 70 H ASP 70 8.741 -19.920 -6.770 549 HA ASP 70 HA ASP 70 9.700 -20.700 -4.069 550 HB2 ASP 70 1HB ASP 70 7.566 -21.673 -4.832 551 HB3 ASP 70 2HB ASP 70 8.364 -22.299 -6.290 552 H LYS 71 H LYS 71 11.286 -22.446 -3.891 553 HA LYS 71 HA LYS 71 12.988 -22.794 -6.330 554 HB2 LYS 71 1HB LYS 71 14.019 -21.907 -3.608 555 HB3 LYS 71 2HB LYS 71 15.023 -22.360 -4.999 556 HG2 LYS 71 1HG LYS 71 13.922 -20.519 -6.317 557 HG3 LYS 71 2HG LYS 71 13.083 -20.020 -4.847 558 HD2 LYS 71 1HD LYS 71 15.259 -19.603 -3.763 559 HD3 LYS 71 2HD LYS 71 16.074 -20.054 -5.288 560 HE2 LYS 71 1HE LYS 71 14.742 -18.269 -6.452 561 HE3 LYS 71 2HE LYS 71 14.070 -17.783 -4.888 562 HZ1 LYS 71 1HZ LYS 71 15.945 -16.407 -5.526 563 HZ2 LYS 71 2HZ LYS 71 16.944 -17.721 -5.632 564 HZ3 LYS 71 3HZ LYS 71 16.330 -17.257 -4.171 565 H LYS 72 H LYS 72 11.077 -24.451 -5.204 566 HA LYS 72 HA LYS 72 10.741 -26.673 -4.917 567 HB2 LYS 72 1HB LYS 72 13.737 -27.030 -4.532 568 HB3 LYS 72 2HB LYS 72 12.553 -28.313 -4.696 569 HG2 LYS 72 1HG LYS 72 12.568 -28.212 -6.940 570 HG3 LYS 72 2HG LYS 72 12.403 -26.447 -6.947 571 HD2 LYS 72 1HD LYS 72 14.492 -26.988 -8.006 572 HD3 LYS 72 2HD LYS 72 14.855 -26.270 -6.427 573 HE2 LYS 72 1HE LYS 72 15.126 -28.583 -5.487 574 HE3 LYS 72 2HE LYS 72 14.865 -29.237 -7.118 575 HZ1 LYS 72 1HZ LYS 72 16.826 -28.007 -7.844 576 HZ2 LYS 72 2HZ LYS 72 17.213 -29.023 -6.607 577 HZ3 LYS 72 3HZ LYS 72 17.054 -27.406 -6.319 578 HA PRO 73 HA PRO 73 10.263 -26.581 -0.640 579 HB2 PRO 73 1HB PRO 73 9.872 -29.203 0.109 580 HB3 PRO 73 2HB PRO 73 8.645 -28.252 -0.787 581 HG2 PRO 73 1HG PRO 73 10.707 -30.165 -1.870 582 HG3 PRO 73 2HG PRO 73 8.936 -30.127 -2.175 583 HD2 PRO 73 1HD PRO 73 10.648 -29.018 -3.919 584 HD3 PRO 73 2HD PRO 73 9.104 -28.182 -3.509 585 H ALA 74 H ALA 74 11.544 -26.506 1.157 586 HA ALA 74 HA ALA 74 13.748 -28.397 1.537 587 HB1 ALA 74 1HB ALA 74 15.486 -26.605 1.584 588 HB2 ALA 74 2HB ALA 74 14.756 -26.741 -0.032 589 HB3 ALA 74 3HB ALA 74 14.265 -25.417 1.047 590 H GLY 75 H GLY 75 14.277 -28.503 3.720 591 HA2 GLY 75 1HA GLY 75 13.778 -26.414 5.599 592 HA3 GLY 75 2HA GLY 75 12.419 -27.569 5.608 593 H SER 76 H SER 76 13.811 -27.498 7.908 594 HA SER 76 HA SER 76 14.939 -30.171 8.073 595 HB2 SER 76 1HB SER 76 16.946 -28.835 7.358 596 HB3 SER 76 2HB SER 76 16.692 -27.767 8.757 597 HG SER 76 HG SER 76 18.227 -29.590 9.003 598 H GLY 77 H GLY 77 15.297 -30.603 10.487 599 HA2 GLY 77 1HA GLY 77 14.448 -28.624 12.393 600 HA3 GLY 77 2HA GLY 77 13.150 -29.801 12.070 601 H GLY 78 H GLY 78 14.224 -29.756 14.596 602 HA2 GLY 78 1HA GLY 78 15.968 -32.191 14.623 603 HA3 GLY 78 2HA GLY 78 16.071 -30.895 15.827 604 H SER 79 H SER 79 13.945 -30.382 16.935 605 HA SER 79 HA SER 79 12.316 -31.026 18.395 606 HB2 SER 79 1HB SER 79 11.559 -32.965 16.188 607 HB3 SER 79 2HB SER 79 10.497 -32.341 17.472 608 HG SER 79 HG SER 79 10.312 -31.201 15.462 609 H GLY 80 H GLY 80 14.888 -32.512 18.589 610 HA2 GLY 80 1HA GLY 80 14.143 -34.451 20.544 611 HA3 GLY 80 2HA GLY 80 14.555 -35.248 18.999 612 H SER 81 H SER 81 16.354 -36.071 20.495 613 HA SER 81 HA SER 81 18.421 -34.207 21.278 614 HB2 SER 81 1HB SER 81 18.512 -37.244 21.054 615 HB3 SER 81 2HB SER 81 19.594 -36.209 22.014 616 HG SER 81 HG SER 81 17.981 -35.801 23.410 617 H GLY 82 H GLY 82 18.386 -33.431 18.780 618 HA2 GLY 82 1HA GLY 82 19.918 -35.021 16.938 619 HA3 GLY 82 2HA GLY 82 19.625 -33.276 16.815 620 H LEU 83 H LEU 83 20.790 -32.329 19.101 621 HA LEU 83 HA LEU 83 22.791 -31.609 19.943 622 HB2 LEU 83 1HB LEU 83 23.361 -34.586 19.869 623 HB3 LEU 83 2HB LEU 83 24.215 -33.403 20.857 624 HG LEU 83 HG LEU 83 21.257 -34.022 21.130 625 HD11 LEU 83 1HD1 LEU 83 23.631 -35.024 22.744 626 HD12 LEU 83 2HD1 LEU 83 22.609 -35.996 21.659 627 HD13 LEU 83 3HD1 LEU 83 21.917 -35.300 23.138 628 HD21 LEU 83 1HD2 LEU 83 21.837 -31.802 21.985 629 HD22 LEU 83 2HD2 LEU 83 23.199 -32.483 22.906 630 HD23 LEU 83 3HD2 LEU 83 21.519 -32.907 23.341 631 H THR 84 H THR 84 22.793 -31.463 17.082 632 HA THR 84 HA THR 84 25.541 -32.303 16.336 633 HB THR 84 HB THR 84 23.552 -30.989 14.467 634 HG1 THR 84 HG1 THR 84 23.469 -33.548 15.613 635 HG21 THR 84 1HG2 THR 84 25.680 -33.127 14.083 636 HG22 THR 84 2HG2 THR 84 25.848 -31.401 13.657 637 HG23 THR 84 3HG2 THR 84 24.660 -32.415 12.814 638 H ASP 85 H ASP 85 23.399 -29.485 16.319 639 HA ASP 85 HA ASP 85 23.702 -27.267 16.165 640 HB2 ASP 85 1HB ASP 85 26.291 -27.906 17.581 641 HB3 ASP 85 2HB ASP 85 25.661 -26.276 17.345 642 H GLU 86 H GLU 86 25.491 -25.449 15.503 643 HA GLU 86 HA GLU 86 27.122 -26.267 13.256 644 HB2 GLU 86 1HB GLU 86 25.847 -24.975 11.578 645 HB3 GLU 86 2HB GLU 86 24.952 -26.374 12.167 646 HG2 GLU 86 1HG GLU 86 23.905 -24.591 13.839 647 HG3 GLU 86 2HG GLU 86 24.404 -23.454 12.576 648 H LEU 87 H LEU 87 28.675 -24.768 12.992 649 HA LEU 87 HA LEU 87 28.587 -22.450 14.811 650 HB2 LEU 87 1HB LEU 87 30.826 -23.563 13.095 651 HB3 LEU 87 2HB LEU 87 30.973 -22.170 14.168 652 HG LEU 87 HG LEU 87 30.345 -25.017 15.049 653 HD11 LEU 87 1HD1 LEU 87 32.633 -24.974 15.959 654 HD12 LEU 87 2HD1 LEU 87 32.868 -23.329 15.323 655 HD13 LEU 87 3HD1 LEU 87 32.655 -24.701 14.206 656 HD21 LEU 87 1HD2 LEU 87 30.812 -24.133 17.348 657 HD22 LEU 87 2HD2 LEU 87 29.354 -23.439 16.625 658 HD23 LEU 87 3HD2 LEU 87 30.856 -22.486 16.675 659 H ALA 88 H ALA 88 28.300 -20.428 14.214 660 HA ALA 88 HA ALA 88 27.447 -19.917 11.512 661 HB1 ALA 88 1HB ALA 88 27.878 -17.951 13.798 662 HB2 ALA 88 2HB ALA 88 26.863 -17.712 12.355 663 HB3 ALA 88 3HB ALA 88 26.407 -18.926 13.568 664 HA PRO 89 HA PRO 89 31.292 -18.275 10.004 665 HB2 PRO 89 1HB PRO 89 30.444 -16.574 8.035 666 HB3 PRO 89 2HB PRO 89 30.348 -18.351 7.866 667 HG2 PRO 89 1HG PRO 89 28.220 -16.410 8.729 668 HG3 PRO 89 2HG PRO 89 28.130 -17.687 7.479 669 HD2 PRO 89 1HD PRO 89 27.187 -18.070 9.977 670 HD3 PRO 89 2HD PRO 89 27.993 -19.394 9.069 671 HA PRO 90 HA PRO 90 31.685 -14.546 12.236 672 HB2 PRO 90 1HB PRO 90 33.708 -13.152 11.044 673 HB3 PRO 90 2HB PRO 90 33.985 -14.697 11.910 674 HG2 PRO 90 1HG PRO 90 33.641 -14.215 8.966 675 HG3 PRO 90 2HG PRO 90 34.906 -15.154 9.813 676 HD2 PRO 90 1HD PRO 90 32.734 -16.328 8.689 677 HD3 PRO 90 2HD PRO 90 33.459 -16.964 10.201 678 H LYS 91 H LYS 91 31.297 -12.238 12.288 679 HA LYS 91 HA LYS 91 29.591 -11.302 10.059 680 HB2 LYS 91 1HB LYS 91 29.172 -9.366 11.583 681 HB3 LYS 91 2HB LYS 91 28.723 -10.924 12.288 682 HG2 LYS 91 1HG LYS 91 30.797 -10.930 13.637 683 HG3 LYS 91 2HG LYS 91 31.275 -9.390 12.911 684 HD2 LYS 91 1HD LYS 91 30.351 -8.964 15.102 685 HD3 LYS 91 2HD LYS 91 29.235 -8.332 13.887 686 HE2 LYS 91 1HE LYS 91 27.770 -10.289 14.158 687 HE3 LYS 91 2HE LYS 91 28.927 -11.017 15.303 688 HZ1 LYS 91 1HZ LYS 91 27.512 -8.447 15.716 689 HZ2 LYS 91 2HZ LYS 91 28.553 -9.179 16.783 690 HZ3 LYS 91 3HZ LYS 91 27.102 -9.880 16.430 691 HA PRO 92 HA PRO 92 33.046 -9.078 8.454 692 HB2 PRO 92 1HB PRO 92 31.877 -6.882 7.269 693 HB3 PRO 92 2HB PRO 92 31.788 -8.523 6.577 694 HG2 PRO 92 1HG PRO 92 29.784 -7.058 8.187 695 HG3 PRO 92 2HG PRO 92 29.563 -8.027 6.716 696 HD2 PRO 92 1HD PRO 92 29.024 -8.942 9.214 697 HD3 PRO 92 2HD PRO 92 29.595 -10.016 7.892 698 HA PRO 93 HA PRO 93 33.990 -6.119 11.590 699 HB2 PRO 93 1HB PRO 93 35.978 -4.607 10.513 700 HB3 PRO 93 2HB PRO 93 36.198 -6.360 10.823 701 HG2 PRO 93 1HG PRO 93 35.403 -4.983 8.266 702 HG3 PRO 93 2HG PRO 93 36.748 -6.139 8.552 703 HD2 PRO 93 1HD PRO 93 34.361 -6.956 7.573 704 HD3 PRO 93 2HD PRO 93 35.276 -7.964 8.752 705 H LEU 94 H LEU 94 34.393 -3.627 11.932 706 HA LEU 94 HA LEU 94 32.541 -2.072 10.208 707 HB2 LEU 94 1HB LEU 94 32.681 -2.269 13.230 708 HB3 LEU 94 2HB LEU 94 32.042 -0.834 12.446 709 HG LEU 94 HG LEU 94 30.891 -3.633 12.174 710 HD11 LEU 94 1HD1 LEU 94 29.047 -2.731 13.466 711 HD12 LEU 94 2HD1 LEU 94 29.834 -1.137 13.543 712 HD13 LEU 94 3HD1 LEU 94 30.560 -2.538 14.378 713 HD21 LEU 94 1HD2 LEU 94 30.480 -2.340 10.135 714 HD22 LEU 94 2HD2 LEU 94 29.899 -0.962 11.092 715 HD23 LEU 94 3HD2 LEU 94 28.988 -2.491 11.065 716 HA PRO 95 HA PRO 95 35.859 0.855 10.145 717 HB2 PRO 95 1HB PRO 95 34.559 3.135 9.468 718 HB3 PRO 95 2HB PRO 95 34.525 1.706 8.376 719 HG2 PRO 95 1HG PRO 95 32.506 2.558 10.432 720 HG3 PRO 95 2HG PRO 95 32.264 2.198 8.694 721 HD2 PRO 95 1HD PRO 95 31.817 0.338 10.624 722 HD3 PRO 95 2HD PRO 95 32.467 -0.102 9.021 723 H GLU 96 H GLU 96 36.159 3.359 10.852 724 HA GLU 96 HA GLU 96 36.629 4.788 12.455 725 HB2 GLU 96 1HB GLU 96 33.876 4.440 12.218 726 HB3 GLU 96 2HB GLU 96 34.192 4.611 13.925 727 HG2 GLU 96 1HG GLU 96 33.761 6.787 12.974 728 HG3 GLU 96 2HG GLU 96 35.459 6.703 13.468 729 H GLY 97 H GLY 97 36.844 1.788 13.324 730 HA2 GLY 97 1HA GLY 97 38.476 1.324 15.075 731 HA3 GLY 97 2HA GLY 97 37.705 2.566 16.074 732 H GLU 98 H GLU 98 37.535 1.083 17.774 733 HA GLU 98 HA GLU 98 36.684 -0.605 19.035 734 HB2 GLU 98 1HB GLU 98 34.459 0.758 17.727 735 HB3 GLU 98 2HB GLU 98 34.021 -0.880 18.207 736 HG2 GLU 98 1HG GLU 98 35.281 1.170 20.058 737 HG3 GLU 98 2HG GLU 98 33.545 0.841 19.947 738 H VAL 99 H VAL 99 38.088 -1.561 16.824 739 HA VAL 99 HA VAL 99 36.579 -3.924 15.933 740 HB VAL 99 HB VAL 99 38.699 -4.422 14.608 741 HG11 VAL 99 1HG1 VAL 99 38.025 -2.776 12.834 742 HG12 VAL 99 2HG1 VAL 99 36.601 -3.439 13.629 743 HG13 VAL 99 3HG1 VAL 99 37.145 -1.808 14.023 744 HG21 VAL 99 1HG2 VAL 99 39.379 -1.470 15.236 745 HG22 VAL 99 2HG2 VAL 99 40.257 -2.865 15.915 746 HG23 VAL 99 3HG2 VAL 99 40.261 -2.565 14.167 747 HXT VAL 99 H02 VAL 99 36.349 -4.510 17.827 Start of MODEL 36 1 H2 GLY 1 2H0 GLY 1 2.403 -3.424 -0.047 2 H GLY 1 1H0 GLY 1 1.909 -1.931 0.380 3 HA2 GLY 1 1HA GLY 1 3.467 -2.586 -2.057 4 HA3 GLY 1 2HA GLY 1 2.894 -0.955 -1.627 5 H SER 2 H SER 2 5.549 -1.617 -2.202 6 HA SER 2 HA SER 2 7.101 -2.028 0.175 7 HB2 SER 2 1HB SER 2 7.891 -0.567 -2.374 8 HB3 SER 2 2HB SER 2 8.990 -1.284 -1.175 9 HG SER 2 HG SER 2 8.670 -3.169 -2.057 10 H MET 3 H MET 3 7.038 -0.720 1.887 11 HA MET 3 HA MET 3 6.437 2.134 1.617 12 HB2 MET 3 1HB MET 3 7.239 0.449 4.023 13 HB3 MET 3 2HB MET 3 6.705 2.138 4.087 14 HG2 MET 3 1HG MET 3 5.043 -0.207 3.106 15 HG3 MET 3 2HG MET 3 4.906 0.565 4.693 16 HE1 MET 3 1HE MET 3 1.656 1.653 2.633 17 HE2 MET 3 2HE MET 3 2.553 0.131 2.402 18 HE3 MET 3 3HE MET 3 2.244 0.745 4.045 19 H LYS 4 H LYS 4 8.254 2.399 0.138 20 HA LYS 4 HA LYS 4 10.355 3.174 -0.413 21 HB2 LYS 4 1HB LYS 4 9.961 4.324 2.057 22 HB3 LYS 4 2HB LYS 4 11.392 3.346 2.378 23 HG2 LYS 4 1HG LYS 4 12.189 5.481 1.795 24 HG3 LYS 4 2HG LYS 4 12.467 4.488 0.355 25 HD2 LYS 4 1HD LYS 4 10.392 5.400 -0.666 26 HD3 LYS 4 2HD LYS 4 10.111 6.382 0.785 27 HE2 LYS 4 1HE LYS 4 12.525 6.590 -1.064 28 HE3 LYS 4 2HE LYS 4 11.135 7.693 -1.055 29 HZ1 LYS 4 1HZ LYS 4 12.978 8.598 0.215 30 HZ2 LYS 4 2HZ LYS 4 13.018 7.278 1.204 31 HZ3 LYS 4 3HZ LYS 4 11.714 8.291 1.232 32 H TYR 5 H TYR 5 12.843 2.599 0.279 33 HA TYR 5 HA TYR 5 14.441 0.986 0.270 34 HB2 TYR 5 1HB TYR 5 12.574 0.102 2.470 35 HB3 TYR 5 2HB TYR 5 14.054 -0.751 2.130 36 HD1 TYR 5 HD1 TYR 5 16.257 0.771 1.943 37 HD2 TYR 5 HD2 TYR 5 12.658 1.849 4.057 38 HE1 TYR 5 HE1 TYR 5 17.565 2.343 3.362 39 HE2 TYR 5 HE2 TYR 5 13.985 3.425 5.475 40 HH TYR 5 HH TYR 5 17.525 3.795 5.103 41 H LEU 6 H LEU 6 14.759 -1.630 0.519 42 HA LEU 6 HA LEU 6 13.640 -2.714 -1.939 43 HB2 LEU 6 1HB LEU 6 15.133 -4.079 0.336 44 HB3 LEU 6 2HB LEU 6 14.807 -4.777 -1.240 45 HG LEU 6 HG LEU 6 16.617 -2.413 -0.758 46 HD11 LEU 6 1HD1 LEU 6 17.479 -4.494 0.240 47 HD12 LEU 6 2HD1 LEU 6 18.444 -4.013 -1.173 48 HD13 LEU 6 3HD1 LEU 6 17.261 -5.334 -1.315 49 HD21 LEU 6 1HD2 LEU 6 16.128 -4.082 -3.250 50 HD22 LEU 6 2HD2 LEU 6 17.385 -2.834 -3.063 51 HD23 LEU 6 3HD2 LEU 6 15.674 -2.379 -3.012 52 H ASN 7 H ASN 7 13.156 -3.171 1.540 53 HA ASN 7 HA ASN 7 11.547 -4.180 2.785 54 HB2 ASN 7 1HB ASN 7 10.309 -2.526 0.829 55 HB3 ASN 7 2HB ASN 7 9.239 -3.890 1.128 56 HD21 ASN 7 1HD2 ASN 7 9.436 -0.920 3.746 57 HD22 ASN 7 2HD2 ASN 7 10.091 -0.853 2.122 58 H VAL 8 H VAL 8 12.939 -6.152 1.871 59 HA VAL 8 HA VAL 8 11.006 -8.152 0.757 60 HB VAL 8 HB VAL 8 12.650 -9.043 -0.578 61 HG11 VAL 8 1HG1 VAL 8 12.772 -6.582 -1.041 62 HG12 VAL 8 2HG1 VAL 8 14.182 -6.497 0.059 63 HG13 VAL 8 3HG1 VAL 8 14.259 -7.465 -1.434 64 HG21 VAL 8 1HG2 VAL 8 14.578 -8.536 1.675 65 HG22 VAL 8 2HG2 VAL 8 13.995 -10.082 1.041 66 HG23 VAL 8 3HG2 VAL 8 15.111 -9.094 0.085 67 H LEU 9 H LEU 9 11.329 -10.402 1.672 68 HA LEU 9 HA LEU 9 11.989 -10.173 4.571 69 HB2 LEU 9 1HB LEU 9 10.562 -12.366 3.032 70 HB3 LEU 9 2HB LEU 9 10.821 -12.334 4.773 71 HG LEU 9 HG LEU 9 9.108 -10.378 3.204 72 HD11 LEU 9 1HD1 LEU 9 7.234 -11.501 4.329 73 HD12 LEU 9 2HD1 LEU 9 8.363 -12.624 5.121 74 HD13 LEU 9 3HD1 LEU 9 8.167 -12.654 3.351 75 HD21 LEU 9 1HD2 LEU 9 9.592 -10.625 6.200 76 HD22 LEU 9 2HD2 LEU 9 8.332 -9.621 5.452 77 HD23 LEU 9 3HD2 LEU 9 10.040 -9.252 5.162 78 H ALA 10 H ALA 10 13.530 -11.427 5.574 79 HA ALA 10 HA ALA 10 15.018 -13.388 3.881 80 HB1 ALA 10 1HB ALA 10 16.298 -11.243 5.607 81 HB2 ALA 10 2HB ALA 10 17.151 -12.509 4.694 82 HB3 ALA 10 3HB ALA 10 16.246 -11.251 3.832 83 H LYS 11 H LYS 11 15.903 -15.127 5.025 84 HA LYS 11 HA LYS 11 14.923 -15.369 7.840 85 HB2 LYS 11 1HB LYS 11 14.058 -17.076 6.360 86 HB3 LYS 11 2HB LYS 11 15.671 -17.468 5.766 87 HG2 LYS 11 1HG LYS 11 16.301 -18.506 7.781 88 HG3 LYS 11 2HG LYS 11 14.998 -17.744 8.704 89 HD2 LYS 11 1HD LYS 11 14.445 -19.748 6.504 90 HD3 LYS 11 2HD LYS 11 14.774 -20.226 8.186 91 HE2 LYS 11 1HE LYS 11 12.940 -18.430 8.761 92 HE3 LYS 11 2HE LYS 11 12.446 -18.667 7.078 93 HZ1 LYS 11 1HZ LYS 11 12.617 -20.786 9.143 94 HZ2 LYS 11 2HZ LYS 11 12.137 -21.023 7.581 95 HZ3 LYS 11 3HZ LYS 11 11.228 -20.094 8.598 96 H ALA 12 H ALA 12 16.270 -15.748 9.470 97 HA ALA 12 HA ALA 12 19.140 -15.489 9.126 98 HB1 ALA 12 1HB ALA 12 17.983 -14.650 11.090 99 HB2 ALA 12 2HB ALA 12 17.389 -16.276 11.474 100 HB3 ALA 12 3HB ALA 12 19.130 -15.925 11.571 101 H LEU 13 H LEU 13 20.640 -17.061 8.814 102 HA LEU 13 HA LEU 13 19.745 -19.900 8.899 103 HB2 LEU 13 1HB LEU 13 22.392 -18.648 8.147 104 HB3 LEU 13 2HB LEU 13 22.020 -20.353 8.059 105 HG LEU 13 HG LEU 13 21.880 -19.840 5.923 106 HD11 LEU 13 1HD1 LEU 13 19.075 -18.918 6.608 107 HD12 LEU 13 2HD1 LEU 13 19.599 -20.621 6.549 108 HD13 LEU 13 3HD1 LEU 13 19.639 -19.628 5.077 109 HD21 LEU 13 1HD2 LEU 13 22.471 -17.479 6.313 110 HD22 LEU 13 2HD2 LEU 13 20.729 -17.123 6.446 111 HD23 LEU 13 3HD2 LEU 13 21.414 -17.748 4.929 112 H TYR 14 H TYR 14 21.349 -17.557 10.824 113 HA TYR 14 HA TYR 14 22.206 -19.652 12.746 114 HB2 TYR 14 1HB TYR 14 23.953 -17.359 11.790 115 HB3 TYR 14 2HB TYR 14 24.360 -18.531 13.046 116 HD1 TYR 14 HD1 TYR 14 24.832 -20.921 12.443 117 HD2 TYR 14 HD2 TYR 14 24.164 -17.922 9.435 118 HE1 TYR 14 HE1 TYR 14 25.807 -22.414 10.721 119 HE2 TYR 14 HE2 TYR 14 25.116 -19.449 7.705 120 HH TYR 14 HH TYR 14 26.277 -22.729 8.538 121 H ASP 15 H ASP 15 22.643 -18.762 14.872 122 HA ASP 15 HA ASP 15 20.842 -16.672 15.705 123 HB2 ASP 15 1HB ASP 15 23.150 -18.118 17.087 124 HB3 ASP 15 2HB ASP 15 22.141 -16.902 17.889 125 H ASN 16 H ASN 16 21.406 -14.606 16.536 126 HA ASN 16 HA ASN 16 24.088 -13.555 15.804 127 HB2 ASN 16 1HB ASN 16 23.089 -12.835 13.875 128 HB3 ASN 16 2HB ASN 16 21.480 -13.054 14.523 129 HD21 ASN 16 1HD2 ASN 16 23.310 -9.451 14.975 130 HD22 ASN 16 2HD2 ASN 16 24.269 -10.878 14.682 131 H VAL 17 H VAL 17 24.839 -12.276 17.365 132 HA VAL 17 HA VAL 17 22.917 -11.151 19.348 133 HB VAL 17 HB VAL 17 25.813 -12.055 19.776 134 HG11 VAL 17 1HG1 VAL 17 23.786 -10.854 21.724 135 HG12 VAL 17 2HG1 VAL 17 25.382 -11.505 22.170 136 HG13 VAL 17 3HG1 VAL 17 25.273 -10.069 21.135 137 HG21 VAL 17 1HG2 VAL 17 23.185 -13.224 20.812 138 HG22 VAL 17 2HG2 VAL 17 24.292 -13.985 19.645 139 HG23 VAL 17 3HG2 VAL 17 24.812 -13.735 21.322 140 H ALA 18 H ALA 18 22.961 -9.010 19.404 141 HA ALA 18 HA ALA 18 24.539 -7.578 17.462 142 HB1 ALA 18 1HB ALA 18 22.203 -6.996 18.085 143 HB2 ALA 18 2HB ALA 18 22.772 -6.542 19.710 144 HB3 ALA 18 3HB ALA 18 23.326 -5.632 18.282 145 H GLU 19 H GLU 19 26.525 -6.814 17.727 146 HA GLU 19 HA GLU 19 27.596 -6.557 20.528 147 HB2 GLU 19 1HB GLU 19 28.974 -6.973 17.849 148 HB3 GLU 19 2HB GLU 19 29.824 -6.691 19.378 149 HG2 GLU 19 1HG GLU 19 28.812 -8.706 20.325 150 HG3 GLU 19 2HG GLU 19 27.937 -9.004 18.827 151 H SER 20 H SER 20 26.675 -4.937 17.661 152 HA SER 20 HA SER 20 27.965 -2.395 18.600 153 HB2 SER 20 1HB SER 20 26.867 -3.186 15.868 154 HB3 SER 20 2HB SER 20 27.552 -1.599 16.281 155 HG SER 20 HG SER 20 29.027 -3.938 16.788 156 HA PRO 21 HA PRO 21 23.964 -1.117 19.769 157 HB2 PRO 21 1HB PRO 21 24.047 1.597 19.413 158 HB3 PRO 21 2HB PRO 21 24.999 0.758 20.681 159 HG2 PRO 21 1HG PRO 21 25.876 1.627 17.932 160 HG3 PRO 21 2HG PRO 21 26.666 1.915 19.515 161 HD2 PRO 21 1HD PRO 21 27.472 -0.050 17.917 162 HD3 PRO 21 2HD PRO 21 27.415 -0.256 19.701 163 H ASP 22 H ASP 22 25.043 -0.627 16.520 164 HA ASP 22 HA ASP 22 22.371 0.241 15.603 165 HB2 ASP 22 1HB ASP 22 25.088 -0.036 14.281 166 HB3 ASP 22 2HB ASP 22 23.619 0.410 13.405 167 H GLU 23 H GLU 23 23.848 -2.619 16.380 168 HA GLU 23 HA GLU 23 23.006 -4.074 13.950 169 HB2 GLU 23 1HB GLU 23 25.255 -4.398 15.070 170 HB3 GLU 23 2HB GLU 23 24.400 -5.125 16.431 171 HG2 GLU 23 1HG GLU 23 23.508 -6.858 14.899 172 HG3 GLU 23 2HG GLU 23 24.395 -6.121 13.573 173 H LEU 24 H LEU 24 21.562 -5.848 14.026 174 HA LEU 24 HA LEU 24 19.562 -5.692 16.227 175 HB2 LEU 24 1HB LEU 24 19.599 -7.174 13.575 176 HB3 LEU 24 2HB LEU 24 18.305 -7.319 14.764 177 HG LEU 24 HG LEU 24 19.092 -4.762 13.341 178 HD11 LEU 24 1HD1 LEU 24 16.835 -5.074 12.261 179 HD12 LEU 24 2HD1 LEU 24 16.812 -6.715 12.932 180 HD13 LEU 24 3HD1 LEU 24 18.069 -6.245 11.770 181 HD21 LEU 24 1HD2 LEU 24 16.921 -3.936 14.319 182 HD22 LEU 24 2HD2 LEU 24 18.199 -4.226 15.511 183 HD23 LEU 24 3HD2 LEU 24 16.875 -5.404 15.320 184 H SER 25 H SER 25 18.718 -7.783 17.080 185 HA SER 25 HA SER 25 20.812 -9.899 17.181 186 HB2 SER 25 1HB SER 25 20.876 -8.531 19.265 187 HB3 SER 25 2HB SER 25 19.182 -8.968 19.565 188 HG SER 25 HG SER 25 20.824 -11.121 19.009 189 H PHE 26 H PHE 26 19.970 -11.671 16.306 190 HA PHE 26 HA PHE 26 17.133 -12.371 16.985 191 HB2 PHE 26 1HB PHE 26 16.706 -12.999 14.623 192 HB3 PHE 26 2HB PHE 26 16.923 -11.276 14.885 193 HD1 PHE 26 HD1 PHE 26 18.421 -10.046 13.635 194 HD2 PHE 26 HD2 PHE 26 18.811 -14.325 13.753 195 HE1 PHE 26 HE1 PHE 26 20.112 -9.941 11.858 196 HE2 PHE 26 HE2 PHE 26 20.531 -14.214 11.943 197 HZ PHE 26 HZ PHE 26 21.150 -12.025 10.954 198 H ARG 27 H ARG 27 16.501 -14.553 16.074 199 HA ARG 27 HA ARG 27 18.669 -16.489 16.806 200 HB2 ARG 27 1HB ARG 27 16.406 -16.236 18.064 201 HB3 ARG 27 2HB ARG 27 15.653 -16.899 16.616 202 HG2 ARG 27 1HG ARG 27 15.865 -18.738 18.016 203 HG3 ARG 27 2HG ARG 27 17.259 -18.896 16.944 204 HD2 ARG 27 1HD ARG 27 18.515 -17.525 18.783 205 HD3 ARG 27 2HD ARG 27 17.175 -18.016 19.831 206 HE ARG 27 HE ARG 27 19.351 -19.663 18.750 207 HH11 ARG 27 1HH1 ARG 27 16.103 -19.798 20.170 208 HH12 ARG 27 2HH1 ARG 27 16.298 -21.453 20.683 209 HH21 ARG 27 1HH2 ARG 27 19.519 -21.743 19.428 210 HH22 ARG 27 2HH2 ARG 27 18.208 -22.545 20.259 211 H LYS 28 H LYS 28 18.880 -18.402 15.605 212 HA LYS 28 HA LYS 28 18.706 -18.304 12.768 213 HB2 LYS 28 1HB LYS 28 20.116 -19.861 14.042 214 HB3 LYS 28 2HB LYS 28 18.694 -20.616 14.756 215 HG2 LYS 28 1HG LYS 28 18.042 -21.566 12.658 216 HG3 LYS 28 2HG LYS 28 19.292 -20.653 11.800 217 HD2 LYS 28 1HD LYS 28 21.035 -21.793 13.127 218 HD3 LYS 28 2HD LYS 28 19.784 -22.738 13.959 219 HE2 LYS 28 1HE LYS 28 19.174 -23.840 11.878 220 HE3 LYS 28 2HE LYS 28 20.262 -22.768 10.958 221 HZ1 LYS 28 1HZ LYS 28 22.114 -23.666 12.193 222 HZ2 LYS 28 2HZ LYS 28 21.331 -24.876 11.409 223 HZ3 LYS 28 3HZ LYS 28 21.126 -24.681 13.040 224 H GLY 29 H GLY 29 17.059 -18.550 11.403 225 HA2 GLY 29 1HA GLY 29 15.061 -19.589 10.663 226 HA3 GLY 29 2HA GLY 29 14.603 -19.931 12.333 227 H ASP 30 H ASP 30 15.512 -16.857 12.735 228 HA ASP 30 HA ASP 30 12.789 -15.894 12.699 229 HB2 ASP 30 1HB ASP 30 15.482 -14.577 13.179 230 HB3 ASP 30 2HB ASP 30 13.988 -13.646 13.140 231 H ILE 31 H ILE 31 12.036 -13.993 11.602 232 HA ILE 31 HA ILE 31 13.219 -13.689 8.875 233 HB ILE 31 HB ILE 31 10.293 -13.404 9.718 234 HG12 ILE 31 1HG1 ILE 31 10.890 -15.755 9.646 235 HG13 ILE 31 2HG1 ILE 31 9.894 -15.353 8.253 236 HG21 ILE 31 1HG2 ILE 31 11.697 -13.006 7.029 237 HG22 ILE 31 2HG2 ILE 31 9.933 -13.223 7.185 238 HG23 ILE 31 3HG2 ILE 31 10.725 -11.829 7.942 239 HD11 ILE 31 1HD1 ILE 31 12.149 -15.134 6.957 240 HD12 ILE 31 2HD1 ILE 31 12.814 -16.034 8.344 241 HD13 ILE 31 3HD1 ILE 31 11.514 -16.738 7.361 242 H MET 32 H MET 32 13.861 -11.689 8.361 243 HA MET 32 HA MET 32 12.667 -9.405 9.872 244 HB2 MET 32 1HB MET 32 14.872 -8.276 9.728 245 HB3 MET 32 2HB MET 32 14.885 -9.701 10.749 246 HG2 MET 32 1HG MET 32 15.656 -10.781 8.368 247 HG3 MET 32 2HG MET 32 16.345 -9.162 8.263 248 HE1 MET 32 1HE MET 32 15.626 -11.685 11.378 249 HE2 MET 32 2HE MET 32 16.239 -12.631 10.001 250 HE3 MET 32 3HE MET 32 17.241 -12.420 11.451 251 H THR 33 H THR 33 12.674 -7.439 8.738 252 HA THR 33 HA THR 33 12.215 -7.868 5.830 253 HB THR 33 HB THR 33 11.759 -5.421 7.596 254 HG1 THR 33 HG1 THR 33 10.273 -6.888 8.191 255 HG21 THR 33 1HG2 THR 33 10.917 -6.040 4.737 256 HG22 THR 33 2HG2 THR 33 12.038 -4.760 5.273 257 HG23 THR 33 3HG2 THR 33 10.318 -4.676 5.705 258 H VAL 34 H VAL 34 13.952 -7.620 4.509 259 HA VAL 34 HA VAL 34 16.245 -6.011 5.371 260 HB VAL 34 HB VAL 34 15.745 -7.304 2.691 261 HG11 VAL 34 1HG1 VAL 34 18.283 -6.259 4.006 262 HG12 VAL 34 2HG1 VAL 34 18.235 -7.213 2.501 263 HG13 VAL 34 3HG1 VAL 34 17.483 -5.606 2.553 264 HG21 VAL 34 1HG2 VAL 34 15.663 -9.040 4.290 265 HG22 VAL 34 2HG2 VAL 34 17.301 -9.063 3.622 266 HG23 VAL 34 3HG2 VAL 34 17.022 -8.353 5.217 267 H LEU 35 H LEU 35 16.497 -3.960 5.020 268 HA LEU 35 HA LEU 35 14.515 -2.590 3.289 269 HB2 LEU 35 1HB LEU 35 16.445 -1.602 5.402 270 HB3 LEU 35 2HB LEU 35 15.273 -0.599 4.560 271 HG LEU 35 HG LEU 35 14.541 -2.974 6.309 272 HD11 LEU 35 1HD1 LEU 35 15.608 -1.323 7.634 273 HD12 LEU 35 2HD1 LEU 35 13.858 -1.223 7.914 274 HD13 LEU 35 3HD1 LEU 35 14.657 -0.016 6.880 275 HD21 LEU 35 1HD2 LEU 35 12.282 -1.959 6.285 276 HD22 LEU 35 2HD2 LEU 35 12.799 -2.458 4.667 277 HD23 LEU 35 3HD2 LEU 35 12.850 -0.737 5.125 278 H GLU 36 H GLU 36 18.059 -2.736 3.951 279 HA GLU 36 HA GLU 36 18.457 -2.414 1.067 280 HB2 GLU 36 1HB GLU 36 19.710 -0.483 1.014 281 HB3 GLU 36 2HB GLU 36 18.386 -0.053 2.083 282 HG2 GLU 36 1HG GLU 36 19.911 -0.533 3.963 283 HG3 GLU 36 2HG GLU 36 21.208 -0.644 2.774 284 H ARG 37 H ARG 37 20.971 -2.533 0.657 285 HA ARG 37 HA ARG 37 22.191 -4.333 2.698 286 HB2 ARG 37 1HB ARG 37 22.263 -4.643 -0.323 287 HB3 ARG 37 2HB ARG 37 23.104 -5.668 0.845 288 HG2 ARG 37 1HG ARG 37 20.859 -6.296 1.795 289 HG3 ARG 37 2HG ARG 37 20.107 -5.415 0.462 290 HD2 ARG 37 1HD ARG 37 21.987 -7.770 0.196 291 HD3 ARG 37 2HD ARG 37 20.228 -7.801 -0.040 292 HE ARG 37 HE ARG 37 21.459 -5.806 -1.705 293 HH11 ARG 37 1HH1 ARG 37 21.056 -9.302 -1.519 294 HH12 ARG 37 2HH1 ARG 37 21.233 -9.509 -3.241 295 HH21 ARG 37 1HH2 ARG 37 21.679 -6.138 -3.883 296 HH22 ARG 37 2HH2 ARG 37 21.578 -7.739 -4.559 297 H ASP 38 H ASP 38 24.450 -4.132 2.783 298 HA ASP 38 HA ASP 38 26.398 -3.020 2.776 299 HB2 ASP 38 1HB ASP 38 25.688 -2.155 -0.031 300 HB3 ASP 38 2HB ASP 38 27.306 -2.377 0.661 301 H THR 39 H THR 39 24.183 -1.914 3.889 302 HA THR 39 HA THR 39 23.638 0.810 3.270 303 HB THR 39 HB THR 39 22.118 -0.574 4.613 304 HG1 THR 39 HG1 THR 39 21.736 1.471 5.155 305 HG21 THR 39 1HG2 THR 39 22.590 -1.142 6.905 306 HG22 THR 39 2HG2 THR 39 24.266 -0.588 6.707 307 HG23 THR 39 3HG2 THR 39 23.658 -1.978 5.771 308 H GLN 40 H GLN 40 24.335 2.705 4.174 309 HA GLN 40 HA GLN 40 25.833 4.213 4.953 310 HB2 GLN 40 1HB GLN 40 26.733 2.247 7.039 311 HB3 GLN 40 2HB GLN 40 26.674 4.001 7.125 312 HG2 GLN 40 1HG GLN 40 24.149 3.771 6.936 313 HG3 GLN 40 2HG GLN 40 24.373 2.042 7.192 314 HE21 GLN 40 1HE2 GLN 40 24.213 2.465 10.623 315 HE22 GLN 40 2HE2 GLN 40 23.741 1.581 9.190 316 H GLY 41 H GLY 41 26.772 1.767 3.186 317 HA2 GLY 41 1HA GLY 41 28.739 1.539 1.947 318 HA3 GLY 41 2HA GLY 41 29.558 2.689 3.022 319 H LEU 42 H LEU 42 27.786 0.286 4.718 320 HA LEU 42 HA LEU 42 30.300 -0.995 5.556 321 HB2 LEU 42 1HB LEU 42 27.434 -1.373 6.463 322 HB3 LEU 42 2HB LEU 42 28.864 -2.025 7.251 323 HG LEU 42 HG LEU 42 28.320 0.937 6.959 324 HD11 LEU 42 1HD1 LEU 42 27.597 0.815 9.319 325 HD12 LEU 42 2HD1 LEU 42 27.697 -0.963 9.237 326 HD13 LEU 42 3HD1 LEU 42 26.528 -0.082 8.216 327 HD21 LEU 42 1HD2 LEU 42 30.180 -0.676 8.724 328 HD22 LEU 42 2HD2 LEU 42 29.925 1.077 8.838 329 HD23 LEU 42 3HD2 LEU 42 30.654 0.382 7.376 330 H ASP 43 H ASP 43 30.850 -2.216 3.736 331 HA ASP 43 HA ASP 43 28.993 -3.666 2.155 332 HB2 ASP 43 1HB ASP 43 31.580 -3.190 1.830 333 HB3 ASP 43 2HB ASP 43 31.721 -4.778 2.622 334 H GLY 44 H GLY 44 28.117 -5.647 2.266 335 HA2 GLY 44 1HA GLY 44 27.828 -7.792 3.076 336 HA3 GLY 44 2HA GLY 44 29.092 -7.551 4.273 337 H TRP 45 H TRP 45 27.540 -4.908 5.067 338 HA TRP 45 HA TRP 45 25.829 -6.281 7.033 339 HB2 TRP 45 1HB TRP 45 26.874 -3.489 6.594 340 HB3 TRP 45 2HB TRP 45 25.662 -3.808 7.798 341 HD1 TRP 45 HD1 TRP 45 29.358 -3.947 7.259 342 HE1 TRP 45 HE1 TRP 45 30.584 -4.898 9.267 343 HE3 TRP 45 HE3 TRP 45 25.285 -5.810 9.675 344 HZ2 TRP 45 HZ2 TRP 45 29.850 -6.359 11.647 345 HZ3 TRP 45 HZ3 TRP 45 25.591 -6.967 11.855 346 HH2 TRP 45 HH2 TRP 45 27.840 -7.234 12.821 347 H TRP 46 H TRP 46 23.656 -6.366 6.866 348 HA TRP 46 HA TRP 46 22.419 -4.764 4.655 349 HB2 TRP 46 1HB TRP 46 21.616 -7.439 5.853 350 HB3 TRP 46 2HB TRP 46 20.693 -6.562 4.626 351 HD1 TRP 46 HD1 TRP 46 24.134 -6.042 3.552 352 HE1 TRP 46 HE1 TRP 46 24.944 -7.676 1.803 353 HE3 TRP 46 HE3 TRP 46 20.444 -9.540 4.124 354 HZ2 TRP 46 HZ2 TRP 46 24.116 -10.222 0.783 355 HZ3 TRP 46 HZ3 TRP 46 20.548 -11.617 2.750 356 HH2 TRP 46 HH2 TRP 46 22.335 -11.928 1.064 357 H LEU 47 H LEU 47 20.937 -3.285 5.195 358 HA LEU 47 HA LEU 47 20.262 -2.877 8.015 359 HB2 LEU 47 1HB LEU 47 20.517 -0.981 6.420 360 HB3 LEU 47 2HB LEU 47 19.203 -1.633 5.456 361 HG LEU 47 HG LEU 47 17.635 -1.218 7.284 362 HD11 LEU 47 1HD1 LEU 47 18.357 0.230 9.183 363 HD12 LEU 47 2HD1 LEU 47 20.041 -0.054 8.693 364 HD13 LEU 47 3HD1 LEU 47 19.018 -1.410 9.221 365 HD21 LEU 47 1HD2 LEU 47 18.030 0.481 5.537 366 HD22 LEU 47 2HD2 LEU 47 19.293 1.219 6.545 367 HD23 LEU 47 3HD2 LEU 47 17.600 1.221 7.089 368 H CYS 48 H CYS 48 18.678 -3.968 9.014 369 HA CYS 48 HA CYS 48 16.321 -4.719 7.357 370 HB2 CYS 48 1HB CYS 48 17.505 -6.552 9.471 371 HB3 CYS 48 2HB CYS 48 16.220 -6.905 8.320 372 HG CYS 48 HG CYS 48 19.413 -6.294 7.706 373 H SER 49 H SER 49 14.487 -5.378 8.753 374 HA SER 49 HA SER 49 14.499 -3.868 11.321 375 HB2 SER 49 1HB SER 49 12.798 -2.591 10.651 376 HB3 SER 49 2HB SER 49 13.113 -3.153 9.015 377 HG SER 49 HG SER 49 10.982 -3.567 9.460 378 H LEU 50 H LEU 50 13.861 -4.994 13.006 379 HA LEU 50 HA LEU 50 12.283 -7.491 12.670 380 HB2 LEU 50 1HB LEU 50 14.687 -8.126 12.473 381 HB3 LEU 50 2HB LEU 50 15.005 -7.297 13.996 382 HG LEU 50 HG LEU 50 12.995 -9.101 14.651 383 HD11 LEU 50 1HD1 LEU 50 13.355 -10.168 12.447 384 HD12 LEU 50 2HD1 LEU 50 13.670 -11.225 13.847 385 HD13 LEU 50 3HD1 LEU 50 15.031 -10.508 12.953 386 HD21 LEU 50 1HD2 LEU 50 16.011 -9.276 14.918 387 HD22 LEU 50 2HD2 LEU 50 14.848 -10.244 15.854 388 HD23 LEU 50 3HD2 LEU 50 14.883 -8.479 16.038 389 H HIS 51 H HIS 51 10.912 -7.685 14.392 390 HA HIS 51 HA HIS 51 9.758 -7.115 16.288 391 HB2 HIS 51 1HB HIS 51 12.506 -6.521 17.442 392 HB3 HIS 51 2HB HIS 51 11.023 -6.798 18.360 393 HD1 HIS 51 HD1 HIS 51 13.564 -8.610 18.732 394 HD2 HIS 51 HD2 HIS 51 10.349 -9.489 16.235 395 HE1 HIS 51 HE1 HIS 51 13.547 -11.118 18.407 396 H GLY 52 H GLY 52 10.295 -4.962 14.294 397 HA2 GLY 52 1HA GLY 52 9.606 -2.754 14.163 398 HA3 GLY 52 2HA GLY 52 9.323 -2.758 15.907 399 H ARG 53 H ARG 53 12.486 -3.818 15.175 400 HA ARG 53 HA ARG 53 13.564 -1.088 15.769 401 HB2 ARG 53 1HB ARG 53 13.739 -3.302 17.343 402 HB3 ARG 53 2HB ARG 53 15.115 -3.607 16.295 403 HG2 ARG 53 1HG ARG 53 14.777 -0.973 17.774 404 HG3 ARG 53 2HG ARG 53 15.512 -2.397 18.526 405 HD2 ARG 53 1HD ARG 53 17.098 -2.461 16.510 406 HD3 ARG 53 2HD ARG 53 16.524 -0.821 16.152 407 HE ARG 53 HE ARG 53 17.259 -0.892 18.869 408 HH11 ARG 53 1HH1 ARG 53 18.913 -1.143 15.736 409 HH12 ARG 53 2HH1 ARG 53 20.429 -0.608 16.428 410 HH21 ARG 53 1HH2 ARG 53 19.214 -0.181 19.612 411 HH22 ARG 53 2HH2 ARG 53 20.592 -0.070 18.535 412 H GLN 54 H GLN 54 15.158 -0.398 14.380 413 HA GLN 54 HA GLN 54 15.691 -2.133 12.017 414 HB2 GLN 54 1HB GLN 54 15.138 0.689 12.417 415 HB3 GLN 54 2HB GLN 54 16.688 0.470 11.594 416 HG2 GLN 54 1HG GLN 54 15.618 -0.883 9.902 417 HG3 GLN 54 2HG GLN 54 14.067 -0.753 10.748 418 HE21 GLN 54 1HE2 GLN 54 15.557 2.563 8.808 419 HE22 GLN 54 2HE2 GLN 54 16.655 1.374 9.463 420 H GLY 55 H GLY 55 17.836 -2.518 11.343 421 HA2 GLY 55 1HA GLY 55 20.070 -1.157 12.450 422 HA3 GLY 55 2HA GLY 55 19.797 -2.629 13.391 423 H ILE 56 H ILE 56 22.161 -2.484 12.182 424 HA ILE 56 HA ILE 56 21.985 -3.678 9.493 425 HB ILE 56 HB ILE 56 24.449 -3.690 9.522 426 HG12 ILE 56 1HG1 ILE 56 24.154 -2.707 12.406 427 HG13 ILE 56 2HG1 ILE 56 24.723 -4.303 11.926 428 HG21 ILE 56 1HG2 ILE 56 24.770 -1.312 9.519 429 HG22 ILE 56 2HG2 ILE 56 23.075 -1.571 9.073 430 HG23 ILE 56 3HG2 ILE 56 23.485 -1.044 10.721 431 HD11 ILE 56 1HD1 ILE 56 26.619 -3.091 10.697 432 HD12 ILE 56 2HD1 ILE 56 26.101 -1.626 11.565 433 HD13 ILE 56 3HD1 ILE 56 26.656 -3.048 12.473 434 H VAL 57 H VAL 57 22.854 -5.708 8.967 435 HA VAL 57 HA VAL 57 22.968 -7.722 11.160 436 HB VAL 57 HB VAL 57 21.301 -7.855 8.640 437 HG11 VAL 57 1HG1 VAL 57 21.830 -9.987 10.633 438 HG12 VAL 57 2HG1 VAL 57 20.509 -10.040 9.452 439 HG13 VAL 57 3HG1 VAL 57 22.192 -10.002 8.897 440 HG21 VAL 57 1HG2 VAL 57 19.382 -8.146 10.245 441 HG22 VAL 57 2HG2 VAL 57 20.532 -7.759 11.554 442 HG23 VAL 57 3HG2 VAL 57 20.160 -6.550 10.307 443 HA PRO 58 HA PRO 58 26.319 -8.939 8.434 444 HB2 PRO 58 1HB PRO 58 26.860 -11.441 9.430 445 HB3 PRO 58 2HB PRO 58 27.296 -9.940 10.308 446 HG2 PRO 58 1HG PRO 58 24.901 -11.717 10.696 447 HG3 PRO 58 2HG PRO 58 26.026 -11.052 11.919 448 HD2 PRO 58 1HD PRO 58 23.621 -9.910 11.362 449 HD3 PRO 58 2HD PRO 58 25.042 -8.938 11.822 450 H GLY 59 H GLY 59 25.574 -9.229 6.362 451 HA2 GLY 59 1HA GLY 59 23.397 -10.843 5.614 452 HA3 GLY 59 2HA GLY 59 24.680 -10.277 4.536 453 H ASN 60 H ASN 60 26.690 -11.813 6.239 454 HA ASN 60 HA ASN 60 26.707 -14.225 4.698 455 HB2 ASN 60 1HB ASN 60 28.569 -12.871 6.143 456 HB3 ASN 60 2HB ASN 60 28.201 -14.177 7.281 457 HD21 ASN 60 1HD2 ASN 60 29.274 -16.697 4.812 458 HD22 ASN 60 2HD2 ASN 60 27.843 -16.369 5.774 459 H ARG 61 H ARG 61 24.937 -13.388 7.543 460 HA ARG 61 HA ARG 61 24.473 -16.293 8.142 461 HB2 ARG 61 1HB ARG 61 24.051 -13.833 9.890 462 HB3 ARG 61 2HB ARG 61 23.673 -15.497 10.351 463 HG2 ARG 61 1HG ARG 61 26.087 -16.072 10.089 464 HG3 ARG 61 2HG ARG 61 26.430 -14.356 9.785 465 HD2 ARG 61 1HD ARG 61 25.461 -13.789 11.990 466 HD3 ARG 61 2HD ARG 61 25.136 -15.505 12.280 467 HE ARG 61 HE ARG 61 27.922 -15.080 11.643 468 HH11 ARG 61 1HH1 ARG 61 25.631 -14.838 14.351 469 HH12 ARG 61 2HH1 ARG 61 26.916 -14.916 15.527 470 HH21 ARG 61 1HH2 ARG 61 29.448 -15.228 13.193 471 HH22 ARG 61 2HH2 ARG 61 29.032 -15.140 14.893 472 H LEU 62 H LEU 62 23.243 -14.108 6.173 473 HA LEU 62 HA LEU 62 20.425 -14.682 6.960 474 HB2 LEU 62 1HB LEU 62 21.539 -12.247 7.128 475 HB3 LEU 62 2HB LEU 62 21.109 -12.225 5.418 476 HG LEU 62 HG LEU 62 18.775 -12.709 6.009 477 HD11 LEU 62 1HD1 LEU 62 19.038 -13.791 8.119 478 HD12 LEU 62 2HD1 LEU 62 17.963 -12.406 8.242 479 HD13 LEU 62 3HD1 LEU 62 19.633 -12.288 8.846 480 HD21 LEU 62 1HD2 LEU 62 19.378 -10.457 5.577 481 HD22 LEU 62 2HD2 LEU 62 20.076 -10.256 7.199 482 HD23 LEU 62 3HD2 LEU 62 18.320 -10.435 6.999 483 H LYS 63 H LYS 63 18.959 -15.144 5.416 484 HA LYS 63 HA LYS 63 20.014 -15.310 2.619 485 HB2 LYS 63 1HB LYS 63 19.880 -17.559 3.561 486 HB3 LYS 63 2HB LYS 63 18.205 -17.281 4.047 487 HG2 LYS 63 1HG LYS 63 17.504 -17.159 1.711 488 HG3 LYS 63 2HG LYS 63 19.187 -17.234 1.165 489 HD2 LYS 63 1HD LYS 63 18.227 -19.400 0.853 490 HD3 LYS 63 2HD LYS 63 19.362 -19.506 2.211 491 HE2 LYS 63 1HE LYS 63 17.415 -19.280 3.777 492 HE3 LYS 63 2HE LYS 63 16.330 -19.314 2.368 493 HZ1 LYS 63 1HZ LYS 63 16.586 -21.513 3.342 494 HZ2 LYS 63 2HZ LYS 63 18.221 -21.464 3.147 495 HZ3 LYS 63 3HZ LYS 63 17.236 -21.519 1.829 496 H ILE 64 H ILE 64 18.986 -14.091 1.282 497 HA ILE 64 HA ILE 64 16.486 -12.817 1.903 498 HB ILE 64 HB ILE 64 17.873 -13.148 -0.801 499 HG12 ILE 64 1HG1 ILE 64 19.430 -12.174 0.812 500 HG13 ILE 64 2HG1 ILE 64 18.925 -10.985 -0.370 501 HG21 ILE 64 1HG2 ILE 64 15.617 -12.354 -1.082 502 HG22 ILE 64 2HG2 ILE 64 15.807 -11.200 0.242 503 HG23 ILE 64 3HG2 ILE 64 16.706 -10.964 -1.273 504 HD11 ILE 64 1HD1 ILE 64 18.123 -11.151 2.560 505 HD12 ILE 64 2HD1 ILE 64 18.968 -9.840 1.717 506 HD13 ILE 64 3HD1 ILE 64 17.251 -10.112 1.402 507 H LEU 65 H LEU 65 14.446 -13.534 1.599 508 HA LEU 65 HA LEU 65 14.153 -16.204 0.348 509 HB2 LEU 65 1HB LEU 65 12.187 -14.526 1.931 510 HB3 LEU 65 2HB LEU 65 11.943 -16.190 1.403 511 HG LEU 65 HG LEU 65 14.014 -15.241 3.409 512 HD11 LEU 65 1HD1 LEU 65 12.594 -16.423 5.019 513 HD12 LEU 65 2HD1 LEU 65 11.443 -16.828 3.730 514 HD13 LEU 65 3HD1 LEU 65 11.701 -15.132 4.208 515 HD21 LEU 65 1HD2 LEU 65 13.377 -18.036 2.378 516 HD22 LEU 65 2HD2 LEU 65 14.336 -17.702 3.837 517 HD23 LEU 65 3HD2 LEU 65 14.929 -17.166 2.255 518 H VAL 66 H VAL 66 14.554 -15.138 -1.818 519 HA VAL 66 HA VAL 66 12.340 -13.603 -2.940 520 HB VAL 66 HB VAL 66 13.457 -14.064 -5.149 521 HG11 VAL 66 1HG1 VAL 66 15.454 -13.140 -3.054 522 HG12 VAL 66 2HG1 VAL 66 15.380 -12.677 -4.766 523 HG13 VAL 66 3HG1 VAL 66 14.105 -12.144 -3.651 524 HG21 VAL 66 1HG2 VAL 66 15.638 -15.201 -5.226 525 HG22 VAL 66 2HG2 VAL 66 15.556 -15.558 -3.489 526 HG23 VAL 66 3HG2 VAL 66 14.410 -16.315 -4.616 527 H GLY 67 H GLY 67 12.745 -16.871 -2.127 528 HA2 GLY 67 1HA GLY 67 11.252 -18.640 -2.418 529 HA3 GLY 67 2HA GLY 67 10.268 -17.608 -3.475 530 H MET 68 H MET 68 10.442 -20.065 -4.406 531 HA MET 68 HA MET 68 11.066 -21.386 -6.157 532 HB2 MET 68 1HB MET 68 11.990 -18.760 -7.352 533 HB3 MET 68 2HB MET 68 11.610 -20.230 -8.253 534 HG2 MET 68 1HG MET 68 9.274 -20.103 -7.578 535 HG3 MET 68 2HG MET 68 9.609 -18.704 -6.543 536 HE1 MET 68 1HE MET 68 10.146 -15.750 -8.939 537 HE2 MET 68 2HE MET 68 9.763 -16.268 -7.281 538 HE3 MET 68 3HE MET 68 11.346 -16.657 -7.991 539 H TYR 69 H TYR 69 13.349 -20.586 -4.168 540 HA TYR 69 HA TYR 69 15.569 -21.753 -5.790 541 HB2 TYR 69 1HB TYR 69 15.489 -19.263 -4.096 542 HB3 TYR 69 2HB TYR 69 16.960 -20.238 -4.085 543 HD1 TYR 69 HD1 TYR 69 14.664 -18.354 -6.386 544 HD2 TYR 69 HD2 TYR 69 18.546 -20.133 -5.865 545 HE1 TYR 69 HE1 TYR 69 15.436 -17.273 -8.483 546 HE2 TYR 69 HE2 TYR 69 19.311 -19.047 -7.979 547 HH TYR 69 HH TYR 69 17.172 -16.954 -9.928 548 H ASP 70 H ASP 70 17.303 -22.527 -4.166 549 HA ASP 70 HA ASP 70 17.903 -24.032 -2.571 550 HB2 ASP 70 1HB ASP 70 17.202 -22.041 -1.127 551 HB3 ASP 70 2HB ASP 70 15.713 -22.938 -0.790 552 H LYS 71 H LYS 71 16.239 -25.037 -4.508 553 HA LYS 71 HA LYS 71 14.173 -26.709 -3.317 554 HB2 LYS 71 1HB LYS 71 14.124 -27.787 -5.569 555 HB3 LYS 71 2HB LYS 71 13.760 -26.066 -5.532 556 HG2 LYS 71 1HG LYS 71 15.945 -25.507 -6.442 557 HG3 LYS 71 2HG LYS 71 16.458 -27.209 -6.356 558 HD2 LYS 71 1HD LYS 71 14.597 -27.827 -7.867 559 HD3 LYS 71 2HD LYS 71 14.149 -26.119 -8.007 560 HE2 LYS 71 1HE LYS 71 16.881 -27.230 -8.780 561 HE3 LYS 71 2HE LYS 71 15.534 -27.051 -9.919 562 HZ1 LYS 71 1HZ LYS 71 15.533 -24.672 -9.456 563 HZ2 LYS 71 2HZ LYS 71 17.006 -25.151 -10.021 564 HZ3 LYS 71 3HZ LYS 71 16.800 -24.835 -8.417 565 H LYS 72 H LYS 72 15.965 -27.311 -1.671 566 HA LYS 72 HA LYS 72 17.871 -29.352 -2.430 567 HB2 LYS 72 1HB LYS 72 18.205 -29.609 -0.040 568 HB3 LYS 72 2HB LYS 72 18.097 -27.897 -0.450 569 HG2 LYS 72 1HG LYS 72 15.703 -27.906 0.327 570 HG3 LYS 72 2HG LYS 72 15.905 -29.600 0.803 571 HD2 LYS 72 1HD LYS 72 16.215 -28.348 2.778 572 HD3 LYS 72 2HD LYS 72 17.846 -28.829 2.256 573 HE2 LYS 72 1HE LYS 72 18.140 -26.610 1.187 574 HE3 LYS 72 2HE LYS 72 16.520 -26.141 1.715 575 HZ1 LYS 72 1HZ LYS 72 17.279 -26.367 3.995 576 HZ2 LYS 72 2HZ LYS 72 18.207 -25.282 3.163 577 HZ3 LYS 72 3HZ LYS 72 18.791 -26.793 3.487 578 HA PRO 73 HA PRO 73 15.126 -32.775 -2.429 579 HB2 PRO 73 1HB PRO 73 16.677 -34.902 -1.768 580 HB3 PRO 73 2HB PRO 73 16.924 -33.992 -3.293 581 HG2 PRO 73 1HG PRO 73 18.370 -33.698 -0.666 582 HG3 PRO 73 2HG PRO 73 19.058 -33.914 -2.308 583 HD2 PRO 73 1HD PRO 73 18.816 -31.466 -1.167 584 HD3 PRO 73 2HD PRO 73 18.566 -31.713 -2.931 585 H ALA 74 H ALA 74 16.731 -31.945 0.560 586 HA ALA 74 HA ALA 74 15.291 -33.919 2.165 587 HB1 ALA 74 1HB ALA 74 17.025 -31.537 2.963 588 HB2 ALA 74 2HB ALA 74 16.397 -32.777 4.071 589 HB3 ALA 74 3HB ALA 74 17.567 -33.228 2.808 590 H GLY 75 H GLY 75 13.093 -33.569 2.054 591 HA2 GLY 75 1HA GLY 75 12.058 -30.843 2.387 592 HA3 GLY 75 2HA GLY 75 11.127 -32.300 2.053 593 H SER 76 H SER 76 12.737 -33.436 4.573 594 HA SER 76 HA SER 76 10.552 -32.658 6.415 595 HB2 SER 76 1HB SER 76 11.077 -35.060 6.046 596 HB3 SER 76 2HB SER 76 12.711 -34.785 6.684 597 HG SER 76 HG SER 76 11.221 -35.583 8.266 598 H GLY 77 H GLY 77 10.901 -31.856 8.522 599 HA2 GLY 77 1HA GLY 77 12.690 -31.510 10.268 600 HA3 GLY 77 2HA GLY 77 13.631 -30.737 8.988 601 H GLY 78 H GLY 78 13.593 -29.045 10.774 602 HA2 GLY 78 1HA GLY 78 13.056 -26.763 10.876 603 HA3 GLY 78 2HA GLY 78 11.571 -27.063 9.969 604 H SER 79 H SER 79 10.062 -28.715 11.336 605 HA SER 79 HA SER 79 10.036 -27.786 14.178 606 HB2 SER 79 1HB SER 79 7.654 -27.851 12.280 607 HB3 SER 79 2HB SER 79 7.581 -27.500 14.021 608 HG SER 79 HG SER 79 7.633 -25.596 12.736 609 H GLY 80 H GLY 80 9.176 -29.319 15.621 610 HA2 GLY 80 1HA GLY 80 8.422 -31.415 16.296 611 HA3 GLY 80 2HA GLY 80 8.022 -31.793 14.611 612 H SER 81 H SER 81 11.192 -30.638 14.872 613 HA SER 81 HA SER 81 12.272 -33.422 14.877 614 HB2 SER 81 1HB SER 81 13.962 -32.583 13.278 615 HB3 SER 81 2HB SER 81 12.319 -32.390 12.632 616 HG SER 81 HG SER 81 13.879 -30.366 13.899 617 H GLY 82 H GLY 82 14.531 -33.561 15.611 618 HA2 GLY 82 1HA GLY 82 14.985 -31.916 17.960 619 HA3 GLY 82 2HA GLY 82 16.055 -33.179 17.322 620 H LEU 83 H LEU 83 17.354 -31.059 18.216 621 HA LEU 83 HA LEU 83 18.121 -29.551 15.751 622 HB2 LEU 83 1HB LEU 83 18.061 -28.544 18.620 623 HB3 LEU 83 2HB LEU 83 18.709 -27.659 17.244 624 HG LEU 83 HG LEU 83 15.790 -28.422 17.609 625 HD11 LEU 83 1HD1 LEU 83 16.572 -26.757 19.253 626 HD12 LEU 83 2HD1 LEU 83 15.464 -26.030 18.073 627 HD13 LEU 83 3HD1 LEU 83 17.217 -25.748 17.933 628 HD21 LEU 83 1HD2 LEU 83 17.162 -26.663 15.528 629 HD22 LEU 83 2HD2 LEU 83 15.401 -26.810 15.748 630 HD23 LEU 83 3HD2 LEU 83 16.347 -28.217 15.234 631 H THR 84 H THR 84 20.379 -28.867 15.799 632 HA THR 84 HA THR 84 22.152 -30.330 17.660 633 HB THR 84 HB THR 84 21.972 -31.798 15.628 634 HG1 THR 84 HG1 THR 84 24.470 -30.513 15.424 635 HG21 THR 84 1HG2 THR 84 22.867 -31.004 13.478 636 HG22 THR 84 2HG2 THR 84 23.038 -29.364 14.138 637 HG23 THR 84 3HG2 THR 84 21.421 -30.087 13.946 638 H ASP 85 H ASP 85 24.379 -29.319 17.468 639 HA ASP 85 HA ASP 85 24.119 -26.424 17.325 640 HB2 ASP 85 1HB ASP 85 25.652 -27.687 18.905 641 HB3 ASP 85 2HB ASP 85 26.646 -28.102 17.500 642 H GLU 86 H GLU 86 25.235 -25.058 15.865 643 HA GLU 86 HA GLU 86 26.451 -26.201 13.450 644 HB2 GLU 86 1HB GLU 86 23.941 -26.243 13.051 645 HB3 GLU 86 2HB GLU 86 23.948 -24.486 13.205 646 HG2 GLU 86 1HG GLU 86 25.540 -24.374 11.287 647 HG3 GLU 86 2HG GLU 86 25.415 -26.130 11.113 648 H LEU 87 H LEU 87 28.283 -25.039 13.817 649 HA LEU 87 HA LEU 87 28.322 -22.504 15.095 650 HB2 LEU 87 1HB LEU 87 30.426 -23.833 13.358 651 HB3 LEU 87 2HB LEU 87 30.702 -22.437 14.395 652 HG LEU 87 HG LEU 87 29.900 -25.212 15.357 653 HD11 LEU 87 1HD1 LEU 87 32.178 -25.125 14.426 654 HD12 LEU 87 2HD1 LEU 87 32.212 -25.342 16.187 655 HD13 LEU 87 3HD1 LEU 87 32.565 -23.745 15.483 656 HD21 LEU 87 1HD2 LEU 87 29.086 -23.528 16.923 657 HD22 LEU 87 2HD2 LEU 87 30.669 -22.704 16.915 658 HD23 LEU 87 3HD2 LEU 87 30.499 -24.333 17.612 659 H ALA 88 H ALA 88 28.505 -20.464 14.411 660 HA ALA 88 HA ALA 88 27.467 -20.008 11.727 661 HB1 ALA 88 1HB ALA 88 26.475 -18.974 13.776 662 HB2 ALA 88 2HB ALA 88 27.976 -18.044 13.992 663 HB3 ALA 88 3HB ALA 88 26.962 -17.776 12.555 664 HA PRO 89 HA PRO 89 31.283 -18.430 10.068 665 HB2 PRO 89 1HB PRO 89 30.377 -16.786 8.080 666 HB3 PRO 89 2HB PRO 89 30.226 -18.569 7.984 667 HG2 PRO 89 1HG PRO 89 28.205 -16.537 8.891 668 HG3 PRO 89 2HG PRO 89 28.020 -17.845 7.676 669 HD2 PRO 89 1HD PRO 89 27.187 -18.149 10.218 670 HD3 PRO 89 2HD PRO 89 27.931 -19.511 9.308 671 HA PRO 90 HA PRO 90 31.929 -14.610 12.087 672 HB2 PRO 90 1HB PRO 90 33.843 -13.302 10.654 673 HB3 PRO 90 2HB PRO 90 34.181 -14.828 11.538 674 HG2 PRO 90 1HG PRO 90 33.505 -14.438 8.634 675 HG3 PRO 90 2HG PRO 90 34.876 -15.336 9.364 676 HD2 PRO 90 1HD PRO 90 32.625 -16.594 8.564 677 HD3 PRO 90 2HD PRO 90 33.492 -17.114 10.046 678 H LYS 91 H LYS 91 31.775 -12.243 11.995 679 HA LYS 91 HA LYS 91 29.661 -11.362 10.146 680 HB2 LYS 91 1HB LYS 91 31.150 -9.925 12.388 681 HB3 LYS 91 2HB LYS 91 29.755 -9.286 11.518 682 HG2 LYS 91 1HG LYS 91 28.360 -11.115 12.433 683 HG3 LYS 91 2HG LYS 91 29.768 -11.726 13.333 684 HD2 LYS 91 1HD LYS 91 29.958 -9.554 14.500 685 HD3 LYS 91 2HD LYS 91 28.552 -8.959 13.606 686 HE2 LYS 91 1HE LYS 91 27.168 -10.758 14.616 687 HE3 LYS 91 2HE LYS 91 28.581 -11.251 15.588 688 HZ1 LYS 91 1HZ LYS 91 27.332 -8.558 15.623 689 HZ2 LYS 91 2HZ LYS 91 28.627 -9.048 16.546 690 HZ3 LYS 91 3HZ LYS 91 27.129 -9.711 16.789 691 HA PRO 92 HA PRO 92 32.726 -9.189 7.670 692 HB2 PRO 92 1HB PRO 92 31.267 -7.015 6.789 693 HB3 PRO 92 2HB PRO 92 31.103 -8.654 6.095 694 HG2 PRO 92 1HG PRO 92 29.389 -7.259 8.061 695 HG3 PRO 92 2HG PRO 92 28.933 -8.285 6.688 696 HD2 PRO 92 1HD PRO 92 28.969 -9.107 9.292 697 HD3 PRO 92 2HD PRO 92 29.219 -10.217 7.902 698 HA PRO 93 HA PRO 93 34.183 -6.396 10.683 699 HB2 PRO 93 1HB PRO 93 35.871 -4.701 9.390 700 HB3 PRO 93 2HB PRO 93 36.208 -6.457 9.510 701 HG2 PRO 93 1HG PRO 93 34.921 -4.932 7.265 702 HG3 PRO 93 2HG PRO 93 36.306 -6.071 7.208 703 HD2 PRO 93 1HD PRO 93 33.782 -6.852 6.635 704 HD3 PRO 93 2HD PRO 93 34.924 -7.946 7.493 705 H LEU 94 H LEU 94 34.432 -4.088 11.372 706 HA LEU 94 HA LEU 94 32.499 -2.252 10.079 707 HB2 LEU 94 1HB LEU 94 32.597 -3.169 12.962 708 HB3 LEU 94 2HB LEU 94 32.027 -1.555 12.569 709 HG LEU 94 HG LEU 94 30.780 -4.142 11.602 710 HD11 LEU 94 1HD1 LEU 94 30.457 -3.601 13.995 711 HD12 LEU 94 2HD1 LEU 94 28.953 -3.519 13.052 712 HD13 LEU 94 3HD1 LEU 94 29.791 -2.018 13.512 713 HD21 LEU 94 1HD2 LEU 94 29.945 -1.245 11.177 714 HD22 LEU 94 2HD2 LEU 94 28.935 -2.662 10.816 715 HD23 LEU 94 3HD2 LEU 94 30.437 -2.418 9.929 716 HA PRO 95 HA PRO 95 35.815 0.586 10.818 717 HB2 PRO 95 1HB PRO 95 34.541 2.983 10.840 718 HB3 PRO 95 2HB PRO 95 34.615 1.972 9.363 719 HG2 PRO 95 1HG PRO 95 32.403 2.208 11.394 720 HG3 PRO 95 2HG PRO 95 32.321 2.313 9.612 721 HD2 PRO 95 1HD PRO 95 31.765 0.020 11.001 722 HD3 PRO 95 2HD PRO 95 32.456 -0.001 9.354 723 H GLU 96 H GLU 96 36.580 2.291 12.264 724 HA GLU 96 HA GLU 96 35.738 1.773 15.073 725 HB2 GLU 96 1HB GLU 96 38.240 2.988 13.841 726 HB3 GLU 96 2HB GLU 96 37.965 2.856 15.583 727 HG2 GLU 96 1HG GLU 96 37.783 0.359 13.928 728 HG3 GLU 96 2HG GLU 96 39.375 1.059 14.243 729 H GLY 97 H GLY 97 34.249 3.581 13.221 730 HA2 GLY 97 1HA GLY 97 33.091 5.583 13.704 731 HA3 GLY 97 2HA GLY 97 34.314 5.993 14.919 732 H GLU 98 H GLU 98 34.399 8.157 13.978 733 HA GLU 98 HA GLU 98 35.212 8.454 11.210 734 HB2 GLU 98 1HB GLU 98 35.332 10.804 11.653 735 HB3 GLU 98 2HB GLU 98 33.873 10.164 12.411 736 HG2 GLU 98 1HG GLU 98 35.003 10.201 14.615 737 HG3 GLU 98 2HG GLU 98 36.467 10.843 13.845 738 H VAL 99 H VAL 99 37.199 9.202 10.420 739 HA VAL 99 HA VAL 99 39.502 8.137 11.835 740 HB VAL 99 HB VAL 99 39.398 9.725 9.211 741 HG11 VAL 99 1HG1 VAL 99 41.706 9.560 10.156 742 HG12 VAL 99 2HG1 VAL 99 41.537 7.807 10.324 743 HG13 VAL 99 3HG1 VAL 99 41.573 8.553 8.714 744 HG21 VAL 99 1HG2 VAL 99 39.180 6.690 9.691 745 HG22 VAL 99 2HG2 VAL 99 37.945 7.731 8.965 746 HG23 VAL 99 3HG2 VAL 99 39.451 7.426 8.101 747 HXT VAL 99 H02 VAL 99 39.369 11.941 12.385 Start of MODEL 37 1 H2 GLY 1 2H0 GLY 1 8.200 1.604 3.001 2 H GLY 1 1H0 GLY 1 7.104 0.431 3.361 3 HA2 GLY 1 1HA GLY 1 5.311 1.781 2.340 4 HA3 GLY 1 2HA GLY 1 6.066 2.564 3.747 5 H SER 2 H SER 2 4.637 3.406 1.187 6 HA SER 2 HA SER 2 4.681 5.127 -0.340 7 HB2 SER 2 1HB SER 2 5.050 6.352 1.859 8 HB3 SER 2 2HB SER 2 6.776 6.403 1.449 9 HG SER 2 HG SER 2 6.142 7.454 -0.522 10 H MET 3 H MET 3 6.398 2.939 -0.916 11 HA MET 3 HA MET 3 8.096 2.267 -2.260 12 HB2 MET 3 1HB MET 3 6.720 3.786 -3.781 13 HB3 MET 3 2HB MET 3 8.002 4.986 -3.581 14 HG2 MET 3 1HG MET 3 9.644 3.379 -4.494 15 HG3 MET 3 2HG MET 3 8.360 2.165 -4.660 16 HE1 MET 3 1HE MET 3 8.959 3.075 -8.411 17 HE2 MET 3 2HE MET 3 10.171 2.862 -7.126 18 HE3 MET 3 3HE MET 3 8.774 1.762 -7.228 19 H LYS 4 H LYS 4 9.289 2.498 -0.104 20 HA LYS 4 HA LYS 4 11.841 3.924 -0.697 21 HB2 LYS 4 1HB LYS 4 10.444 3.752 2.015 22 HB3 LYS 4 2HB LYS 4 12.077 4.374 1.756 23 HG2 LYS 4 1HG LYS 4 9.575 5.598 0.550 24 HG3 LYS 4 2HG LYS 4 10.306 6.137 2.064 25 HD2 LYS 4 1HD LYS 4 12.291 6.882 0.980 26 HD3 LYS 4 2HD LYS 4 11.886 6.044 -0.528 27 HE2 LYS 4 1HE LYS 4 10.205 8.294 0.612 28 HE3 LYS 4 2HE LYS 4 11.514 8.533 -0.569 29 HZ1 LYS 4 1HZ LYS 4 10.323 6.913 -2.015 30 HZ2 LYS 4 2HZ LYS 4 9.464 8.300 -1.754 31 HZ3 LYS 4 3HZ LYS 4 9.061 6.908 -0.964 32 H TYR 5 H TYR 5 13.624 2.709 0.017 33 HA TYR 5 HA TYR 5 14.824 0.842 0.341 34 HB2 TYR 5 1HB TYR 5 12.650 0.455 2.399 35 HB3 TYR 5 2HB TYR 5 14.026 -0.613 2.249 36 HD1 TYR 5 HD1 TYR 5 12.885 2.028 4.132 37 HD2 TYR 5 HD2 TYR 5 16.395 0.856 1.924 38 HE1 TYR 5 HE1 TYR 5 14.298 3.535 5.541 39 HE2 TYR 5 HE2 TYR 5 17.782 2.368 3.327 40 HH TYR 5 HH TYR 5 17.836 3.810 5.068 41 H LEU 6 H LEU 6 14.908 -1.593 0.521 42 HA LEU 6 HA LEU 6 13.684 -2.647 -1.883 43 HB2 LEU 6 1HB LEU 6 15.190 -4.060 0.345 44 HB3 LEU 6 2HB LEU 6 14.840 -4.717 -1.243 45 HG LEU 6 HG LEU 6 16.690 -2.391 -0.726 46 HD11 LEU 6 1HD1 LEU 6 18.485 -4.032 -1.186 47 HD12 LEU 6 2HD1 LEU 6 17.263 -5.322 -1.306 48 HD13 LEU 6 3HD1 LEU 6 17.530 -4.488 0.242 49 HD21 LEU 6 1HD2 LEU 6 17.447 -2.792 -3.042 50 HD22 LEU 6 2HD2 LEU 6 15.743 -2.306 -2.977 51 HD23 LEU 6 3HD2 LEU 6 16.164 -4.013 -3.240 52 H ASN 7 H ASN 7 13.226 -3.154 1.604 53 HA ASN 7 HA ASN 7 11.672 -4.283 2.831 54 HB2 ASN 7 1HB ASN 7 10.059 -3.002 0.655 55 HB3 ASN 7 2HB ASN 7 9.257 -4.062 1.821 56 HD21 ASN 7 1HD2 ASN 7 10.008 -0.336 2.854 57 HD22 ASN 7 2HD2 ASN 7 10.068 -0.931 1.218 58 H VAL 8 H VAL 8 13.084 -6.175 1.832 59 HA VAL 8 HA VAL 8 11.163 -8.168 0.684 60 HB VAL 8 HB VAL 8 12.808 -9.027 -0.656 61 HG11 VAL 8 1HG1 VAL 8 14.448 -7.444 -1.458 62 HG12 VAL 8 2HG1 VAL 8 12.964 -6.556 -1.065 63 HG13 VAL 8 3HG1 VAL 8 14.360 -6.510 0.054 64 HG21 VAL 8 1HG2 VAL 8 14.109 -10.104 1.001 65 HG22 VAL 8 2HG2 VAL 8 15.246 -9.165 0.018 66 HG23 VAL 8 3HG2 VAL 8 14.748 -8.569 1.605 67 H LEU 9 H LEU 9 11.416 -10.398 1.649 68 HA LEU 9 HA LEU 9 12.079 -10.125 4.538 69 HB2 LEU 9 1HB LEU 9 10.622 -12.314 3.030 70 HB3 LEU 9 2HB LEU 9 10.889 -12.275 4.767 71 HG LEU 9 HG LEU 9 9.214 -10.288 3.191 72 HD11 LEU 9 1HD1 LEU 9 7.314 -11.370 4.312 73 HD12 LEU 9 2HD1 LEU 9 8.416 -12.519 5.105 74 HD13 LEU 9 3HD1 LEU 9 8.222 -12.540 3.334 75 HD21 LEU 9 1HD2 LEU 9 10.165 -9.185 5.149 76 HD22 LEU 9 2HD2 LEU 9 9.694 -10.548 6.190 77 HD23 LEU 9 3HD2 LEU 9 8.451 -9.521 5.442 78 H ALA 10 H ALA 10 13.580 -11.420 5.577 79 HA ALA 10 HA ALA 10 15.066 -13.387 3.896 80 HB1 ALA 10 1HB ALA 10 16.305 -11.266 3.802 81 HB2 ALA 10 2HB ALA 10 16.346 -11.198 5.578 82 HB3 ALA 10 3HB ALA 10 17.205 -12.496 4.711 83 H LYS 11 H LYS 11 15.959 -15.109 5.053 84 HA LYS 11 HA LYS 11 14.963 -15.366 7.863 85 HB2 LYS 11 1HB LYS 11 14.162 -17.098 6.432 86 HB3 LYS 11 2HB LYS 11 15.761 -17.419 5.771 87 HG2 LYS 11 1HG LYS 11 16.497 -18.467 7.750 88 HG3 LYS 11 2HG LYS 11 15.187 -17.780 8.722 89 HD2 LYS 11 1HD LYS 11 14.702 -19.781 6.501 90 HD3 LYS 11 2HD LYS 11 15.027 -20.247 8.184 91 HE2 LYS 11 1HE LYS 11 13.098 -18.318 8.501 92 HE3 LYS 11 2HE LYS 11 12.594 -19.076 6.980 93 HZ1 LYS 11 1HZ LYS 11 12.625 -21.219 8.163 94 HZ2 LYS 11 2HZ LYS 11 11.594 -20.151 8.893 95 HZ3 LYS 11 3HZ LYS 11 13.065 -20.461 9.565 96 H ALA 12 H ALA 12 16.329 -15.706 9.542 97 HA ALA 12 HA ALA 12 19.209 -15.452 9.176 98 HB1 ALA 12 1HB ALA 12 17.463 -16.154 11.570 99 HB2 ALA 12 2HB ALA 12 19.209 -15.835 11.643 100 HB3 ALA 12 3HB ALA 12 18.087 -14.547 11.154 101 H LEU 13 H LEU 13 20.683 -17.091 8.929 102 HA LEU 13 HA LEU 13 19.681 -19.907 9.070 103 HB2 LEU 13 1HB LEU 13 22.362 -18.766 8.247 104 HB3 LEU 13 2HB LEU 13 21.911 -20.454 8.173 105 HG LEU 13 HG LEU 13 21.775 -19.919 6.034 106 HD11 LEU 13 1HD1 LEU 13 19.498 -19.681 5.256 107 HD12 LEU 13 2HD1 LEU 13 18.995 -18.995 6.811 108 HD13 LEU 13 3HD1 LEU 13 19.512 -20.697 6.709 109 HD21 LEU 13 1HD2 LEU 13 21.343 -17.830 5.043 110 HD22 LEU 13 2HD2 LEU 13 22.371 -17.539 6.445 111 HD23 LEU 13 3HD2 LEU 13 20.627 -17.197 6.542 112 H TYR 14 H TYR 14 21.306 -17.591 10.918 113 HA TYR 14 HA TYR 14 22.140 -19.648 12.880 114 HB2 TYR 14 1HB TYR 14 23.946 -17.421 11.867 115 HB3 TYR 14 2HB TYR 14 24.329 -18.600 13.126 116 HD1 TYR 14 HD1 TYR 14 24.530 -21.071 12.491 117 HD2 TYR 14 HD2 TYR 14 24.251 -17.953 9.540 118 HE1 TYR 14 HE1 TYR 14 25.375 -22.626 10.756 119 HE2 TYR 14 HE2 TYR 14 25.073 -19.539 7.796 120 HH TYR 14 HH TYR 14 25.855 -22.940 8.548 121 H ASP 15 H ASP 15 22.544 -18.666 15.001 122 HA ASP 15 HA ASP 15 20.735 -16.501 15.648 123 HB2 ASP 15 1HB ASP 15 22.958 -17.934 17.161 124 HB3 ASP 15 2HB ASP 15 22.085 -16.558 17.852 125 H ASN 16 H ASN 16 21.336 -14.395 16.382 126 HA ASN 16 HA ASN 16 24.151 -13.616 15.833 127 HB2 ASN 16 1HB ASN 16 22.595 -13.008 13.877 128 HB3 ASN 16 2HB ASN 16 21.860 -11.839 14.983 129 HD21 ASN 16 1HD2 ASN 16 24.347 -9.481 14.378 130 HD22 ASN 16 2HD2 ASN 16 22.679 -9.846 14.795 131 H VAL 17 H VAL 17 24.963 -12.496 17.443 132 HA VAL 17 HA VAL 17 23.103 -11.311 19.441 133 HB VAL 17 HB VAL 17 26.050 -12.118 19.693 134 HG11 VAL 17 1HG1 VAL 17 25.521 -10.147 21.080 135 HG12 VAL 17 2HG1 VAL 17 24.114 -10.992 21.774 136 HG13 VAL 17 3HG1 VAL 17 25.763 -11.576 22.102 137 HG21 VAL 17 1HG2 VAL 17 23.535 -13.369 20.898 138 HG22 VAL 17 2HG2 VAL 17 24.566 -14.090 19.642 139 HG23 VAL 17 3HG2 VAL 17 25.208 -13.844 21.279 140 H ALA 18 H ALA 18 23.022 -9.173 19.339 141 HA ALA 18 HA ALA 18 24.534 -7.748 17.338 142 HB1 ALA 18 1HB ALA 18 23.329 -5.770 18.267 143 HB2 ALA 18 2HB ALA 18 22.240 -7.110 17.845 144 HB3 ALA 18 3HB ALA 18 22.666 -6.806 19.549 145 H GLU 19 H GLU 19 26.480 -6.914 17.568 146 HA GLU 19 HA GLU 19 27.616 -6.639 20.339 147 HB2 GLU 19 1HB GLU 19 28.891 -7.111 17.624 148 HB3 GLU 19 2HB GLU 19 29.812 -6.804 19.109 149 HG2 GLU 19 1HG GLU 19 28.940 -8.798 20.139 150 HG3 GLU 19 2HG GLU 19 27.836 -9.084 18.801 151 H SER 20 H SER 20 26.875 -5.118 17.302 152 HA SER 20 HA SER 20 28.072 -2.524 18.183 153 HB2 SER 20 1HB SER 20 28.470 -3.054 15.845 154 HB3 SER 20 2HB SER 20 26.774 -3.496 15.602 155 HG SER 20 HG SER 20 27.536 -1.301 14.921 156 HA PRO 21 HA PRO 21 24.065 -1.490 19.716 157 HB2 PRO 21 1HB PRO 21 24.090 1.246 19.543 158 HB3 PRO 21 2HB PRO 21 25.065 0.341 20.749 159 HG2 PRO 21 1HG PRO 21 25.921 1.414 18.061 160 HG3 PRO 21 2HG PRO 21 26.713 1.605 19.657 161 HD2 PRO 21 1HD PRO 21 27.545 -0.231 17.929 162 HD3 PRO 21 2HD PRO 21 27.491 -0.562 19.694 163 H ASP 22 H ASP 22 25.124 -0.775 16.485 164 HA ASP 22 HA ASP 22 22.462 0.168 15.618 165 HB2 ASP 22 1HB ASP 22 25.024 0.663 14.760 166 HB3 ASP 22 2HB ASP 22 24.510 -0.568 13.617 167 H GLU 23 H GLU 23 23.951 -2.786 16.272 168 HA GLU 23 HA GLU 23 22.957 -4.165 13.887 169 HB2 GLU 23 1HB GLU 23 25.195 -4.538 14.948 170 HB3 GLU 23 2HB GLU 23 24.372 -5.262 16.327 171 HG2 GLU 23 1HG GLU 23 23.478 -7.017 14.856 172 HG3 GLU 23 2HG GLU 23 24.276 -6.258 13.472 173 H LEU 24 H LEU 24 21.558 -5.959 13.924 174 HA LEU 24 HA LEU 24 19.595 -5.916 16.169 175 HB2 LEU 24 1HB LEU 24 19.519 -7.193 13.429 176 HB3 LEU 24 2HB LEU 24 18.292 -7.455 14.659 177 HG LEU 24 HG LEU 24 18.997 -4.784 13.384 178 HD11 LEU 24 1HD1 LEU 24 16.665 -6.676 12.991 179 HD12 LEU 24 2HD1 LEU 24 17.886 -6.194 11.795 180 HD13 LEU 24 3HD1 LEU 24 16.713 -5.005 12.389 181 HD21 LEU 24 1HD2 LEU 24 18.237 -4.395 15.630 182 HD22 LEU 24 2HD2 LEU 24 16.894 -5.555 15.445 183 HD23 LEU 24 3HD2 LEU 24 16.886 -4.023 14.539 184 H SER 25 H SER 25 19.050 -7.649 17.363 185 HA SER 25 HA SER 25 20.840 -10.014 17.167 186 HB2 SER 25 1HB SER 25 20.017 -10.369 19.568 187 HB3 SER 25 2HB SER 25 21.124 -9.007 19.309 188 HG SER 25 HG SER 25 19.306 -8.416 20.574 189 H PHE 26 H PHE 26 19.934 -11.886 16.768 190 HA PHE 26 HA PHE 26 17.061 -12.377 17.104 191 HB2 PHE 26 1HB PHE 26 16.725 -12.944 14.694 192 HB3 PHE 26 2HB PHE 26 16.937 -11.231 15.024 193 HD1 PHE 26 HD1 PHE 26 18.829 -14.263 13.886 194 HD2 PHE 26 HD2 PHE 26 18.522 -9.972 13.901 195 HE1 PHE 26 HE1 PHE 26 20.634 -14.132 12.183 196 HE2 PHE 26 HE2 PHE 26 20.297 -9.832 12.189 197 HZ PHE 26 HZ PHE 26 21.353 -11.928 11.309 198 H ARG 27 H ARG 27 16.432 -14.526 16.112 199 HA ARG 27 HA ARG 27 18.508 -16.532 16.928 200 HB2 ARG 27 1HB ARG 27 16.387 -16.341 18.223 201 HB3 ARG 27 2HB ARG 27 15.464 -16.557 16.745 202 HG2 ARG 27 1HG ARG 27 15.287 -18.595 17.789 203 HG3 ARG 27 2HG ARG 27 16.536 -18.882 16.584 204 HD2 ARG 27 1HD ARG 27 18.272 -18.677 18.305 205 HD3 ARG 27 2HD ARG 27 17.041 -18.261 19.509 206 HE ARG 27 HE ARG 27 16.186 -20.470 19.423 207 HH11 ARG 27 1HH1 ARG 27 19.123 -20.187 17.454 208 HH12 ARG 27 2HH1 ARG 27 19.272 -21.926 17.315 209 HH21 ARG 27 1HH2 ARG 27 16.458 -22.622 19.184 210 HH22 ARG 27 2HH2 ARG 27 17.802 -23.273 18.284 211 H LYS 28 H LYS 28 18.809 -18.389 15.695 212 HA LYS 28 HA LYS 28 18.697 -18.314 12.860 213 HB2 LYS 28 1HB LYS 28 20.100 -19.821 14.206 214 HB3 LYS 28 2HB LYS 28 18.677 -20.589 14.891 215 HG2 LYS 28 1HG LYS 28 18.157 -21.685 12.848 216 HG3 LYS 28 2HG LYS 28 19.356 -20.735 11.957 217 HD2 LYS 28 1HD LYS 28 21.167 -21.681 13.320 218 HD3 LYS 28 2HD LYS 28 19.997 -22.592 14.292 219 HE2 LYS 28 1HE LYS 28 19.376 -23.885 12.250 220 HE3 LYS 28 2HE LYS 28 20.628 -22.998 11.348 221 HZ1 LYS 28 1HZ LYS 28 22.206 -23.845 13.128 222 HZ2 LYS 28 2HZ LYS 28 21.650 -24.966 12.056 223 HZ3 LYS 28 3HZ LYS 28 21.027 -24.894 13.593 224 H GLY 29 H GLY 29 17.079 -18.495 11.473 225 HA2 GLY 29 1HA GLY 29 15.137 -19.596 10.650 226 HA3 GLY 29 2HA GLY 29 14.625 -19.953 12.301 227 H ASP 30 H ASP 30 15.520 -16.859 12.690 228 HA ASP 30 HA ASP 30 12.790 -15.914 12.659 229 HB2 ASP 30 1HB ASP 30 15.477 -14.561 13.094 230 HB3 ASP 30 2HB ASP 30 13.964 -13.656 13.077 231 H ILE 31 H ILE 31 12.019 -14.029 11.525 232 HA ILE 31 HA ILE 31 13.221 -13.743 8.800 233 HB ILE 31 HB ILE 31 10.287 -13.477 9.613 234 HG12 ILE 31 1HG1 ILE 31 10.902 -15.821 9.581 235 HG13 ILE 31 2HG1 ILE 31 9.925 -15.444 8.171 236 HG21 ILE 31 1HG2 ILE 31 10.738 -11.918 7.829 237 HG22 ILE 31 2HG2 ILE 31 11.715 -13.107 6.938 238 HG23 ILE 31 3HG2 ILE 31 9.950 -13.321 7.083 239 HD11 ILE 31 1HD1 ILE 31 11.582 -16.867 7.366 240 HD12 ILE 31 2HD1 ILE 31 12.136 -15.262 6.863 241 HD13 ILE 31 3HD1 ILE 31 12.863 -16.053 8.283 242 H MET 32 H MET 32 13.901 -11.719 8.339 243 HA MET 32 HA MET 32 12.646 -9.448 9.829 244 HB2 MET 32 1HB MET 32 14.840 -8.309 9.796 245 HB3 MET 32 2HB MET 32 14.831 -9.760 10.777 246 HG2 MET 32 1HG MET 32 15.731 -10.809 8.462 247 HG3 MET 32 2HG MET 32 16.348 -9.164 8.318 248 HE1 MET 32 1HE MET 32 17.353 -12.295 11.609 249 HE2 MET 32 2HE MET 32 15.704 -11.645 11.482 250 HE3 MET 32 3HE MET 32 16.396 -12.590 10.141 251 H THR 33 H THR 33 12.684 -7.453 8.721 252 HA THR 33 HA THR 33 12.275 -7.866 5.807 253 HB THR 33 HB THR 33 11.765 -5.443 7.596 254 HG1 THR 33 HG1 THR 33 9.597 -6.140 7.389 255 HG21 THR 33 1HG2 THR 33 12.053 -4.743 5.291 256 HG22 THR 33 2HG2 THR 33 10.328 -4.698 5.701 257 HG23 THR 33 3HG2 THR 33 10.968 -6.041 4.723 258 H VAL 34 H VAL 34 14.021 -7.611 4.519 259 HA VAL 34 HA VAL 34 16.314 -6.005 5.371 260 HB VAL 34 HB VAL 34 15.761 -7.241 2.664 261 HG11 VAL 34 1HG1 VAL 34 17.515 -5.563 2.540 262 HG12 VAL 34 2HG1 VAL 34 18.331 -6.260 3.961 263 HG13 VAL 34 3HG1 VAL 34 18.248 -7.177 2.436 264 HG21 VAL 34 1HG2 VAL 34 17.136 -8.372 5.109 265 HG22 VAL 34 2HG2 VAL 34 15.694 -9.001 4.276 266 HG23 VAL 34 3HG2 VAL 34 17.273 -9.063 3.481 267 H LEU 35 H LEU 35 16.469 -3.923 5.124 268 HA LEU 35 HA LEU 35 14.548 -2.527 3.362 269 HB2 LEU 35 1HB LEU 35 16.519 -1.563 5.450 270 HB3 LEU 35 2HB LEU 35 15.379 -0.536 4.593 271 HG LEU 35 HG LEU 35 14.579 -2.848 6.395 272 HD11 LEU 35 1HD1 LEU 35 14.791 0.121 6.891 273 HD12 LEU 35 2HD1 LEU 35 15.661 -1.204 7.705 274 HD13 LEU 35 3HD1 LEU 35 13.914 -1.017 7.941 275 HD21 LEU 35 1HD2 LEU 35 12.858 -2.344 4.742 276 HD22 LEU 35 2HD2 LEU 35 12.958 -0.608 5.124 277 HD23 LEU 35 3HD2 LEU 35 12.348 -1.763 6.332 278 H GLU 36 H GLU 36 18.098 -2.744 3.998 279 HA GLU 36 HA GLU 36 18.474 -2.469 1.103 280 HB2 GLU 36 1HB GLU 36 19.775 -0.554 1.022 281 HB3 GLU 36 2HB GLU 36 18.401 -0.119 2.021 282 HG2 GLU 36 1HG GLU 36 19.825 -0.484 3.980 283 HG3 GLU 36 2HG GLU 36 21.186 -0.620 2.865 284 H ARG 37 H ARG 37 20.970 -2.561 0.617 285 HA ARG 37 HA ARG 37 22.277 -4.344 2.628 286 HB2 ARG 37 1HB ARG 37 22.277 -4.699 -0.392 287 HB3 ARG 37 2HB ARG 37 23.126 -5.709 0.786 288 HG2 ARG 37 1HG ARG 37 20.868 -6.313 1.759 289 HG3 ARG 37 2HG ARG 37 20.129 -5.469 0.391 290 HD2 ARG 37 1HD ARG 37 22.023 -7.822 0.230 291 HD3 ARG 37 2HD ARG 37 20.279 -7.878 -0.032 292 HE ARG 37 HE ARG 37 22.339 -6.731 -1.827 293 HH11 ARG 37 1HH1 ARG 37 18.905 -7.375 -1.311 294 HH12 ARG 37 2HH1 ARG 37 18.507 -7.069 -2.980 295 HH21 ARG 37 1HH2 ARG 37 21.752 -6.342 -3.926 296 HH22 ARG 37 2HH2 ARG 37 20.091 -6.497 -4.431 297 H ASP 38 H ASP 38 24.524 -4.035 2.716 298 HA ASP 38 HA ASP 38 26.421 -2.784 2.691 299 HB2 ASP 38 1HB ASP 38 26.374 -3.434 0.244 300 HB3 ASP 38 2HB ASP 38 25.717 -1.825 -0.095 301 H THR 39 H THR 39 24.242 -1.933 3.942 302 HA THR 39 HA THR 39 23.447 0.775 3.375 303 HB THR 39 HB THR 39 22.015 -0.657 4.713 304 HG1 THR 39 HG1 THR 39 21.797 1.447 5.288 305 HG21 THR 39 1HG2 THR 39 24.260 -0.811 6.688 306 HG22 THR 39 2HG2 THR 39 23.561 -2.135 5.717 307 HG23 THR 39 3HG2 THR 39 22.588 -1.341 6.956 308 H GLN 40 H GLN 40 24.179 2.659 4.237 309 HA GLN 40 HA GLN 40 25.706 4.180 4.932 310 HB2 GLN 40 1HB GLN 40 26.775 2.320 7.018 311 HB3 GLN 40 2HB GLN 40 26.520 4.059 7.087 312 HG2 GLN 40 1HG GLN 40 24.032 3.553 7.010 313 HG3 GLN 40 2HG GLN 40 24.445 1.856 7.238 314 HE21 GLN 40 1HE2 GLN 40 24.219 2.276 10.672 315 HE22 GLN 40 2HE2 GLN 40 23.748 1.417 9.229 316 H GLY 41 H GLY 41 26.623 1.709 3.160 317 HA2 GLY 41 1HA GLY 41 28.563 1.486 1.885 318 HA3 GLY 41 2HA GLY 41 29.397 2.653 2.931 319 H LEU 42 H LEU 42 27.639 0.168 4.577 320 HA LEU 42 HA LEU 42 30.192 -1.076 5.397 321 HB2 LEU 42 1HB LEU 42 27.355 -1.447 6.389 322 HB3 LEU 42 2HB LEU 42 28.804 -2.087 7.143 323 HG LEU 42 HG LEU 42 28.260 0.877 6.869 324 HD11 LEU 42 1HD1 LEU 42 26.432 -0.159 8.067 325 HD12 LEU 42 2HD1 LEU 42 27.461 0.742 9.199 326 HD13 LEU 42 3HD1 LEU 42 27.574 -1.036 9.119 327 HD21 LEU 42 1HD2 LEU 42 29.839 1.046 8.730 328 HD22 LEU 42 2HD2 LEU 42 30.598 0.217 7.354 329 HD23 LEU 42 3HD2 LEU 42 30.027 -0.720 8.760 330 H ASP 43 H ASP 43 30.614 -2.264 3.497 331 HA ASP 43 HA ASP 43 28.800 -3.912 2.173 332 HB2 ASP 43 1HB ASP 43 30.528 -4.712 1.021 333 HB3 ASP 43 2HB ASP 43 31.360 -3.329 1.754 334 H GLY 44 H GLY 44 28.255 -6.028 2.252 335 HA2 GLY 44 1HA GLY 44 27.879 -8.089 3.243 336 HA3 GLY 44 2HA GLY 44 29.086 -7.698 4.474 337 H TRP 45 H TRP 45 27.627 -5.068 5.149 338 HA TRP 45 HA TRP 45 25.745 -6.317 7.017 339 HB2 TRP 45 1HB TRP 45 26.805 -3.533 6.571 340 HB3 TRP 45 2HB TRP 45 25.606 -3.875 7.772 341 HD1 TRP 45 HD1 TRP 45 29.308 -3.998 7.184 342 HE1 TRP 45 HE1 TRP 45 30.560 -4.918 9.193 343 HE3 TRP 45 HE3 TRP 45 25.267 -5.802 9.698 344 HZ2 TRP 45 HZ2 TRP 45 29.862 -6.353 11.593 345 HZ3 TRP 45 HZ3 TRP 45 25.607 -6.934 11.880 346 HH2 TRP 45 HH2 TRP 45 27.871 -7.208 12.814 347 H TRP 46 H TRP 46 23.594 -6.319 6.837 348 HA TRP 46 HA TRP 46 22.408 -4.728 4.588 349 HB2 TRP 46 1HB TRP 46 21.528 -7.359 5.796 350 HB3 TRP 46 2HB TRP 46 20.641 -6.480 4.553 351 HD1 TRP 46 HD1 TRP 46 24.091 -6.085 3.492 352 HE1 TRP 46 HE1 TRP 46 24.887 -7.828 1.851 353 HE3 TRP 46 HE3 TRP 46 20.280 -9.483 4.137 354 HZ2 TRP 46 HZ2 TRP 46 24.035 -10.401 0.934 355 HZ3 TRP 46 HZ3 TRP 46 20.380 -11.618 2.860 356 HH2 TRP 46 HH2 TRP 46 22.219 -12.055 1.253 357 H LEU 47 H LEU 47 20.916 -3.239 5.181 358 HA LEU 47 HA LEU 47 20.281 -2.867 8.022 359 HB2 LEU 47 1HB LEU 47 20.524 -0.957 6.451 360 HB3 LEU 47 2HB LEU 47 19.195 -1.583 5.491 361 HG LEU 47 HG LEU 47 17.655 -1.152 7.333 362 HD11 LEU 47 1HD1 LEU 47 20.093 -0.070 8.756 363 HD12 LEU 47 2HD1 LEU 47 19.036 -1.408 9.265 364 HD13 LEU 47 3HD1 LEU 47 18.415 0.247 9.253 365 HD21 LEU 47 1HD2 LEU 47 17.699 1.306 7.190 366 HD22 LEU 47 2HD2 LEU 47 18.061 0.564 5.619 367 HD23 LEU 47 3HD2 LEU 47 19.379 1.241 6.603 368 H CYS 48 H CYS 48 18.667 -3.917 9.039 369 HA CYS 48 HA CYS 48 16.320 -4.688 7.379 370 HB2 CYS 48 1HB CYS 48 17.502 -6.528 9.487 371 HB3 CYS 48 2HB CYS 48 16.211 -6.875 8.343 372 HG CYS 48 HG CYS 48 19.399 -6.262 7.708 373 H SER 49 H SER 49 14.484 -5.372 8.768 374 HA SER 49 HA SER 49 14.471 -3.879 11.350 375 HB2 SER 49 1HB SER 49 12.790 -2.581 10.661 376 HB3 SER 49 2HB SER 49 13.104 -3.145 9.027 377 HG SER 49 HG SER 49 10.937 -3.468 9.584 378 H LEU 50 H LEU 50 13.803 -5.030 13.012 379 HA LEU 50 HA LEU 50 12.184 -7.500 12.591 380 HB2 LEU 50 1HB LEU 50 14.589 -8.174 12.495 381 HB3 LEU 50 2HB LEU 50 14.852 -7.376 14.046 382 HG LEU 50 HG LEU 50 12.761 -9.153 14.546 383 HD11 LEU 50 1HD1 LEU 50 13.459 -11.274 13.769 384 HD12 LEU 50 2HD1 LEU 50 14.884 -10.562 12.978 385 HD13 LEU 50 3HD1 LEU 50 13.249 -10.193 12.367 386 HD21 LEU 50 1HD2 LEU 50 14.496 -10.350 15.855 387 HD22 LEU 50 2HD2 LEU 50 14.547 -8.590 16.082 388 HD23 LEU 50 3HD2 LEU 50 15.743 -9.384 15.032 389 H HIS 51 H HIS 51 10.719 -7.661 14.202 390 HA HIS 51 HA HIS 51 9.464 -7.102 16.036 391 HB2 HIS 51 1HB HIS 51 12.158 -6.658 17.373 392 HB3 HIS 51 2HB HIS 51 10.612 -6.903 18.191 393 HD1 HIS 51 HD1 HIS 51 13.018 -8.834 18.689 394 HD2 HIS 51 HD2 HIS 51 9.993 -9.490 15.903 395 HE1 HIS 51 HE1 HIS 51 12.926 -11.329 18.269 396 H GLY 52 H GLY 52 10.197 -4.907 14.162 397 HA2 GLY 52 1HA GLY 52 9.566 -2.675 14.085 398 HA3 GLY 52 2HA GLY 52 9.234 -2.725 15.820 399 H ARG 53 H ARG 53 12.395 -3.865 15.179 400 HA ARG 53 HA ARG 53 13.505 -1.165 15.824 401 HB2 ARG 53 1HB ARG 53 13.678 -3.326 17.427 402 HB3 ARG 53 2HB ARG 53 15.001 -3.726 16.343 403 HG2 ARG 53 1HG ARG 53 15.003 -0.938 17.398 404 HG3 ARG 53 2HG ARG 53 15.251 -2.217 18.600 405 HD2 ARG 53 1HD ARG 53 17.122 -3.117 17.311 406 HD3 ARG 53 2HD ARG 53 16.860 -1.908 16.044 407 HE ARG 53 HE ARG 53 17.214 -0.560 18.508 408 HH11 ARG 53 1HH1 ARG 53 19.174 -2.421 16.220 409 HH12 ARG 53 2HH1 ARG 53 20.644 -1.631 16.724 410 HH21 ARG 53 1HH2 ARG 53 19.135 0.411 19.040 411 HH22 ARG 53 2HH2 ARG 53 20.625 -0.076 18.260 412 H GLN 54 H GLN 54 15.137 -0.477 14.505 413 HA GLN 54 HA GLN 54 15.645 -2.145 12.089 414 HB2 GLN 54 1HB GLN 54 15.029 0.638 12.549 415 HB3 GLN 54 2HB GLN 54 16.610 0.498 11.760 416 HG2 GLN 54 1HG GLN 54 15.629 -0.815 9.992 417 HG3 GLN 54 2HG GLN 54 14.058 -0.790 10.811 418 HE21 GLN 54 1HE2 GLN 54 15.424 2.700 9.099 419 HE22 GLN 54 2HE2 GLN 54 16.566 1.552 9.751 420 H GLY 55 H GLY 55 17.768 -2.499 11.387 421 HA2 GLY 55 1HA GLY 55 20.014 -1.138 12.460 422 HA3 GLY 55 2HA GLY 55 19.767 -2.609 13.406 423 H ILE 56 H ILE 56 22.121 -2.415 12.150 424 HA ILE 56 HA ILE 56 21.945 -3.636 9.479 425 HB ILE 56 HB ILE 56 24.420 -3.658 9.484 426 HG12 ILE 56 1HG1 ILE 56 24.128 -2.717 12.397 427 HG13 ILE 56 2HG1 ILE 56 24.708 -4.300 11.887 428 HG21 ILE 56 1HG2 ILE 56 24.744 -1.291 9.499 429 HG22 ILE 56 2HG2 ILE 56 23.021 -1.500 9.135 430 HG23 ILE 56 3HG2 ILE 56 23.531 -1.015 10.772 431 HD11 ILE 56 1HD1 ILE 56 26.629 -3.039 12.450 432 HD12 ILE 56 2HD1 ILE 56 26.589 -3.066 10.674 433 HD13 ILE 56 3HD1 ILE 56 26.063 -1.611 11.556 434 H VAL 57 H VAL 57 22.811 -5.674 8.956 435 HA VAL 57 HA VAL 57 22.998 -7.665 11.170 436 HB VAL 57 HB VAL 57 21.246 -7.949 8.715 437 HG11 VAL 57 1HG1 VAL 57 21.876 -9.881 10.861 438 HG12 VAL 57 2HG1 VAL 57 20.509 -10.063 9.749 439 HG13 VAL 57 3HG1 VAL 57 22.167 -10.045 9.119 440 HG21 VAL 57 1HG2 VAL 57 20.526 -7.643 11.616 441 HG22 VAL 57 2HG2 VAL 57 20.127 -6.527 10.295 442 HG23 VAL 57 3HG2 VAL 57 19.366 -8.130 10.354 443 HA PRO 58 HA PRO 58 26.231 -8.824 8.312 444 HB2 PRO 58 1HB PRO 58 26.887 -11.317 9.251 445 HB3 PRO 58 2HB PRO 58 27.334 -9.814 10.120 446 HG2 PRO 58 1HG PRO 58 25.018 -11.656 10.619 447 HG3 PRO 58 2HG PRO 58 26.188 -10.964 11.782 448 HD2 PRO 58 1HD PRO 58 23.725 -9.895 11.365 449 HD3 PRO 58 2HD PRO 58 25.136 -8.885 11.760 450 H GLY 59 H GLY 59 25.523 -9.196 6.269 451 HA2 GLY 59 1HA GLY 59 23.302 -10.816 5.588 452 HA3 GLY 59 2HA GLY 59 24.553 -10.238 4.475 453 H ASN 60 H ASN 60 26.594 -11.642 6.211 454 HA ASN 60 HA ASN 60 26.811 -14.086 4.777 455 HB2 ASN 60 1HB ASN 60 28.531 -12.613 6.158 456 HB3 ASN 60 2HB ASN 60 28.073 -13.683 7.492 457 HD21 ASN 60 1HD2 ASN 60 30.951 -15.333 6.125 458 HD22 ASN 60 2HD2 ASN 60 30.481 -14.057 7.230 459 H ARG 61 H ARG 61 24.862 -13.280 7.533 460 HA ARG 61 HA ARG 61 24.451 -16.198 8.114 461 HB2 ARG 61 1HB ARG 61 24.022 -13.765 9.888 462 HB3 ARG 61 2HB ARG 61 23.628 -15.432 10.330 463 HG2 ARG 61 1HG ARG 61 26.014 -16.048 10.082 464 HG3 ARG 61 2HG ARG 61 26.403 -14.352 9.728 465 HD2 ARG 61 1HD ARG 61 25.533 -13.686 11.927 466 HD3 ARG 61 2HD ARG 61 25.110 -15.374 12.272 467 HE ARG 61 HE ARG 61 27.867 -15.267 11.572 468 HH11 ARG 61 1HH1 ARG 61 25.781 -14.247 14.246 469 HH12 ARG 61 2HH1 ARG 61 27.077 -14.374 15.405 470 HH21 ARG 61 1HH2 ARG 61 29.427 -15.418 13.080 471 HH22 ARG 61 2HH2 ARG 61 29.118 -15.013 14.759 472 H LEU 62 H LEU 62 23.172 -14.017 6.168 473 HA LEU 62 HA LEU 62 20.354 -14.662 6.945 474 HB2 LEU 62 1HB LEU 62 21.652 -12.171 5.980 475 HB3 LEU 62 2HB LEU 62 20.106 -12.569 5.251 476 HG LEU 62 HG LEU 62 20.622 -12.158 8.187 477 HD11 LEU 62 1HD1 LEU 62 19.247 -10.142 7.828 478 HD12 LEU 62 2HD1 LEU 62 19.112 -10.550 6.099 479 HD13 LEU 62 3HD1 LEU 62 20.694 -10.129 6.803 480 HD21 LEU 62 1HD2 LEU 62 18.088 -12.133 8.315 481 HD22 LEU 62 2HD2 LEU 62 18.858 -13.705 8.149 482 HD23 LEU 62 3HD2 LEU 62 18.098 -12.944 6.737 483 H LYS 63 H LYS 63 18.861 -15.029 5.387 484 HA LYS 63 HA LYS 63 19.942 -15.514 2.636 485 HB2 LYS 63 1HB LYS 63 19.654 -17.628 3.890 486 HB3 LYS 63 2HB LYS 63 17.963 -17.259 4.152 487 HG2 LYS 63 1HG LYS 63 17.434 -17.534 1.845 488 HG3 LYS 63 2HG LYS 63 19.140 -17.483 1.365 489 HD2 LYS 63 1HD LYS 63 18.002 -19.670 3.151 490 HD3 LYS 63 2HD LYS 63 18.064 -19.798 1.377 491 HE2 LYS 63 1HE LYS 63 20.493 -19.421 1.428 492 HE3 LYS 63 2HE LYS 63 20.443 -19.288 3.184 493 HZ1 LYS 63 1HZ LYS 63 21.204 -21.457 2.524 494 HZ2 LYS 63 2HZ LYS 63 19.837 -21.742 1.649 495 HZ3 LYS 63 3HZ LYS 63 19.755 -21.608 3.293 496 H ILE 64 H ILE 64 18.950 -14.294 1.219 497 HA ILE 64 HA ILE 64 16.524 -12.877 1.860 498 HB ILE 64 HB ILE 64 17.863 -13.329 -0.850 499 HG12 ILE 64 1HG1 ILE 64 19.413 -12.269 0.771 500 HG13 ILE 64 2HG1 ILE 64 18.975 -11.204 -0.550 501 HG21 ILE 64 1HG2 ILE 64 15.798 -11.351 0.126 502 HG22 ILE 64 2HG2 ILE 64 16.717 -11.123 -1.378 503 HG23 ILE 64 3HG2 ILE 64 15.639 -12.524 -1.193 504 HD11 ILE 64 1HD1 ILE 64 17.340 -10.024 0.969 505 HD12 ILE 64 2HD1 ILE 64 17.932 -11.046 2.301 506 HD13 ILE 64 3HD1 ILE 64 19.023 -9.911 1.488 507 H LEU 65 H LEU 65 14.454 -13.508 1.598 508 HA LEU 65 HA LEU 65 13.987 -16.095 0.178 509 HB2 LEU 65 1HB LEU 65 12.222 -14.657 2.181 510 HB3 LEU 65 2HB LEU 65 11.975 -16.267 1.514 511 HG LEU 65 HG LEU 65 14.132 -15.394 3.462 512 HD11 LEU 65 1HD1 LEU 65 11.984 -15.549 4.487 513 HD12 LEU 65 2HD1 LEU 65 12.854 -17.024 4.918 514 HD13 LEU 65 3HD1 LEU 65 11.616 -17.083 3.655 515 HD21 LEU 65 1HD2 LEU 65 14.728 -17.829 3.642 516 HD22 LEU 65 2HD2 LEU 65 15.167 -17.114 2.078 517 HD23 LEU 65 3HD2 LEU 65 13.716 -18.145 2.211 518 H VAL 66 H VAL 66 13.967 -15.074 -1.905 519 HA VAL 66 HA VAL 66 12.121 -12.932 -2.498 520 HB VAL 66 HB VAL 66 12.560 -13.657 -4.923 521 HG11 VAL 66 1HG1 VAL 66 14.797 -12.708 -4.959 522 HG12 VAL 66 2HG1 VAL 66 13.818 -11.852 -3.749 523 HG13 VAL 66 3HG1 VAL 66 15.018 -13.060 -3.232 524 HG21 VAL 66 1HG2 VAL 66 13.166 -16.060 -4.338 525 HG22 VAL 66 2HG2 VAL 66 14.346 -15.239 -5.375 526 HG23 VAL 66 3HG2 VAL 66 14.691 -15.451 -3.647 527 H GLY 67 H GLY 67 10.170 -12.964 -3.572 528 HA2 GLY 67 1HA GLY 67 8.628 -15.481 -3.299 529 HA3 GLY 67 2HA GLY 67 7.973 -13.853 -3.579 530 H MET 68 H MET 68 6.786 -15.281 -5.257 531 HA MET 68 HA MET 68 6.328 -15.723 -7.427 532 HB2 MET 68 1HB MET 68 8.650 -13.903 -8.109 533 HB3 MET 68 2HB MET 68 7.313 -14.358 -9.165 534 HG2 MET 68 1HG MET 68 5.726 -13.224 -7.642 535 HG3 MET 68 2HG MET 68 7.080 -12.729 -6.610 536 HE1 MET 68 1HE MET 68 8.789 -10.839 -7.148 537 HE2 MET 68 2HE MET 68 9.415 -11.795 -8.514 538 HE3 MET 68 3HE MET 68 8.980 -10.087 -8.748 539 H TYR 69 H TYR 69 8.899 -17.116 -6.089 540 HA TYR 69 HA TYR 69 9.480 -18.690 -8.564 541 HB2 TYR 69 1HB TYR 69 11.395 -18.055 -6.288 542 HB3 TYR 69 2HB TYR 69 11.744 -19.083 -7.682 543 HD1 TYR 69 HD1 TYR 69 11.366 -17.900 -10.070 544 HD2 TYR 69 HD2 TYR 69 12.061 -15.810 -6.384 545 HE1 TYR 69 HE1 TYR 69 12.160 -15.903 -11.343 546 HE2 TYR 69 HE2 TYR 69 12.854 -13.820 -7.657 547 HH TYR 69 HH TYR 69 12.959 -13.760 -11.219 548 H ASP 70 H ASP 70 7.441 -18.999 -6.434 549 HA ASP 70 HA ASP 70 6.616 -20.529 -4.917 550 HB2 ASP 70 1HB ASP 70 8.035 -22.353 -6.881 551 HB3 ASP 70 2HB ASP 70 6.884 -22.905 -5.651 552 H LYS 71 H LYS 71 8.677 -19.366 -3.697 553 HA LYS 71 HA LYS 71 10.783 -21.164 -3.006 554 HB2 LYS 71 1HB LYS 71 10.573 -18.518 -2.928 555 HB3 LYS 71 2HB LYS 71 10.154 -18.817 -1.243 556 HG2 LYS 71 1HG LYS 71 12.703 -19.706 -2.666 557 HG3 LYS 71 2HG LYS 71 12.572 -18.373 -1.505 558 HD2 LYS 71 1HD LYS 71 11.975 -19.960 0.280 559 HD3 LYS 71 2HD LYS 71 11.996 -21.291 -0.884 560 HE2 LYS 71 1HE LYS 71 14.397 -20.801 -1.341 561 HE3 LYS 71 2HE LYS 71 14.360 -19.681 0.051 562 HZ1 LYS 71 1HZ LYS 71 13.493 -22.526 0.181 563 HZ2 LYS 71 2HZ LYS 71 13.691 -21.501 1.455 564 HZ3 LYS 71 3HZ LYS 71 15.008 -22.026 0.610 565 H LYS 72 H LYS 72 9.717 -23.045 -2.362 566 HA LYS 72 HA LYS 72 8.184 -23.156 0.107 567 HB2 LYS 72 1HB LYS 72 9.573 -25.273 -1.584 568 HB3 LYS 72 2HB LYS 72 8.529 -25.645 -0.200 569 HG2 LYS 72 1HG LYS 72 6.588 -24.720 -1.300 570 HG3 LYS 72 2HG LYS 72 7.576 -23.979 -2.556 571 HD2 LYS 72 1HD LYS 72 6.589 -25.807 -3.606 572 HD3 LYS 72 2HD LYS 72 8.250 -26.328 -3.276 573 HE2 LYS 72 1HE LYS 72 7.483 -27.622 -1.335 574 HE3 LYS 72 2HE LYS 72 5.831 -26.993 -1.544 575 HZ1 LYS 72 1HZ LYS 72 5.749 -28.084 -3.705 576 HZ2 LYS 72 2HZ LYS 72 6.064 -29.194 -2.525 577 HZ3 LYS 72 3HZ LYS 72 7.277 -28.675 -3.517 578 HA PRO 73 HA PRO 73 11.565 -23.071 2.857 579 HB2 PRO 73 1HB PRO 73 10.707 -24.422 5.052 580 HB3 PRO 73 2HB PRO 73 9.949 -22.883 4.526 581 HG2 PRO 73 1HG PRO 73 9.062 -25.704 3.961 582 HG3 PRO 73 2HG PRO 73 8.117 -24.342 4.645 583 HD2 PRO 73 1HD PRO 73 8.010 -24.947 2.011 584 HD3 PRO 73 2HD PRO 73 7.985 -23.240 2.573 585 H ALA 74 H ALA 74 10.511 -26.172 1.752 586 HA ALA 74 HA ALA 74 11.507 -28.172 1.451 587 HB1 ALA 74 1HB ALA 74 14.164 -26.773 1.956 588 HB2 ALA 74 2HB ALA 74 13.894 -28.288 1.071 589 HB3 ALA 74 3HB ALA 74 13.292 -26.753 0.402 590 H GLY 75 H GLY 75 10.830 -27.246 4.285 591 HA2 GLY 75 1HA GLY 75 10.757 -29.365 5.744 592 HA3 GLY 75 2HA GLY 75 12.519 -29.211 5.743 593 H SER 76 H SER 76 11.570 -29.271 8.140 594 HA SER 76 HA SER 76 12.182 -26.648 9.230 595 HB2 SER 76 1HB SER 76 10.104 -26.496 10.588 596 HB3 SER 76 2HB SER 76 9.743 -26.351 8.856 597 HG SER 76 HG SER 76 8.346 -27.809 10.035 598 H GLY 77 H GLY 77 12.282 -27.019 11.732 599 HA2 GLY 77 1HA GLY 77 12.053 -28.950 13.376 600 HA3 GLY 77 2HA GLY 77 12.986 -29.884 12.198 601 H GLY 78 H GLY 78 14.644 -30.270 13.697 602 HA2 GLY 78 1HA GLY 78 16.976 -29.104 13.627 603 HA3 GLY 78 2HA GLY 78 16.170 -27.903 14.659 604 H SER 79 H SER 79 14.524 -29.593 16.143 605 HA SER 79 HA SER 79 14.466 -30.871 18.021 606 HB2 SER 79 1HB SER 79 14.916 -32.537 16.129 607 HB3 SER 79 2HB SER 79 16.576 -32.627 16.755 608 HG SER 79 HG SER 79 15.723 -33.265 18.753 609 H GLY 80 H GLY 80 16.686 -28.751 18.016 610 HA2 GLY 80 1HA GLY 80 18.085 -29.897 20.376 611 HA3 GLY 80 2HA GLY 80 19.021 -29.113 19.092 612 H SER 81 H SER 81 18.840 -28.372 21.871 613 HA SER 81 HA SER 81 17.240 -25.872 21.867 614 HB2 SER 81 1HB SER 81 18.838 -27.238 24.069 615 HB3 SER 81 2HB SER 81 17.765 -25.834 24.269 616 HG SER 81 HG SER 81 16.792 -27.902 24.777 617 H GLY 82 H GLY 82 18.478 -24.026 23.166 618 HA2 GLY 82 1HA GLY 82 20.277 -22.557 23.239 619 HA3 GLY 82 2HA GLY 82 21.340 -23.913 22.788 620 H LEU 83 H LEU 83 22.421 -23.436 20.971 621 HA LEU 83 HA LEU 83 21.395 -21.561 19.005 622 HB2 LEU 83 1HB LEU 83 23.721 -23.514 18.883 623 HB3 LEU 83 2HB LEU 83 23.432 -22.202 17.750 624 HG LEU 83 HG LEU 83 24.049 -21.807 20.699 625 HD11 LEU 83 1HD1 LEU 83 25.925 -22.871 19.516 626 HD12 LEU 83 2HD1 LEU 83 26.308 -21.185 19.922 627 HD13 LEU 83 3HD1 LEU 83 25.857 -21.617 18.255 628 HD21 LEU 83 1HD2 LEU 83 22.841 -19.908 19.720 629 HD22 LEU 83 2HD2 LEU 83 23.983 -19.861 18.356 630 HD23 LEU 83 3HD2 LEU 83 24.539 -19.478 20.002 631 H THR 84 H THR 84 21.075 -24.974 19.503 632 HA THR 84 HA THR 84 20.384 -26.733 18.221 633 HB THR 84 HB THR 84 19.267 -24.808 16.157 634 HG1 THR 84 HG1 THR 84 17.944 -25.735 18.508 635 HG21 THR 84 1HG2 THR 84 17.456 -26.587 16.105 636 HG22 THR 84 2HG2 THR 84 18.508 -27.592 17.125 637 HG23 THR 84 3HG2 THR 84 19.036 -27.122 15.498 638 H ASP 85 H ASP 85 22.882 -25.638 18.112 639 HA ASP 85 HA ASP 85 24.885 -25.792 17.102 640 HB2 ASP 85 1HB ASP 85 23.514 -28.153 15.801 641 HB3 ASP 85 2HB ASP 85 25.265 -27.935 15.979 642 H GLU 86 H GLU 86 25.628 -26.934 14.616 643 HA GLU 86 HA GLU 86 26.293 -26.266 12.545 644 HB2 GLU 86 1HB GLU 86 23.692 -26.192 12.264 645 HB3 GLU 86 2HB GLU 86 23.937 -24.443 12.208 646 HG2 GLU 86 1HG GLU 86 25.484 -24.728 10.308 647 HG3 GLU 86 2HG GLU 86 25.226 -26.479 10.374 648 H LEU 87 H LEU 87 28.128 -25.189 13.008 649 HA LEU 87 HA LEU 87 28.204 -22.773 14.493 650 HB2 LEU 87 1HB LEU 87 30.288 -24.003 12.659 651 HB3 LEU 87 2HB LEU 87 30.590 -22.673 13.775 652 HG LEU 87 HG LEU 87 29.752 -25.479 14.591 653 HD11 LEU 87 1HD1 LEU 87 32.019 -25.389 13.631 654 HD12 LEU 87 2HD1 LEU 87 32.071 -25.702 15.378 655 HD13 LEU 87 3HD1 LEU 87 32.450 -24.078 14.755 656 HD21 LEU 87 1HD2 LEU 87 30.603 -23.070 16.259 657 HD22 LEU 87 2HD2 LEU 87 30.407 -24.725 16.882 658 HD23 LEU 87 3HD2 LEU 87 29.002 -23.850 16.252 659 H ALA 88 H ALA 88 28.279 -20.705 14.005 660 HA ALA 88 HA ALA 88 27.289 -19.986 11.391 661 HB1 ALA 88 1HB ALA 88 28.012 -18.188 13.743 662 HB2 ALA 88 2HB ALA 88 26.927 -17.802 12.385 663 HB3 ALA 88 3HB ALA 88 26.458 -19.038 13.573 664 HA PRO 89 HA PRO 89 31.198 -18.532 9.828 665 HB2 PRO 89 1HB PRO 89 30.403 -16.884 7.825 666 HB3 PRO 89 2HB PRO 89 30.165 -18.652 7.727 667 HG2 PRO 89 1HG PRO 89 28.228 -16.521 8.581 668 HG3 PRO 89 2HG PRO 89 28.007 -17.822 7.366 669 HD2 PRO 89 1HD PRO 89 27.121 -18.061 9.917 670 HD3 PRO 89 2HD PRO 89 27.767 -19.467 9.001 671 HA PRO 90 HA PRO 90 31.872 -14.740 11.907 672 HB2 PRO 90 1HB PRO 90 33.869 -13.472 10.560 673 HB3 PRO 90 2HB PRO 90 34.133 -15.031 11.407 674 HG2 PRO 90 1HG PRO 90 33.537 -14.542 8.501 675 HG3 PRO 90 2HG PRO 90 34.864 -15.501 9.233 676 HD2 PRO 90 1HD PRO 90 32.593 -16.666 8.353 677 HD3 PRO 90 2HD PRO 90 33.415 -17.251 9.836 678 H LYS 91 H LYS 91 31.788 -12.369 11.875 679 HA LYS 91 HA LYS 91 29.760 -11.387 9.986 680 HB2 LYS 91 1HB LYS 91 31.221 -10.030 12.295 681 HB3 LYS 91 2HB LYS 91 29.854 -9.352 11.408 682 HG2 LYS 91 1HG LYS 91 28.427 -11.220 12.239 683 HG3 LYS 91 2HG LYS 91 29.806 -11.804 13.200 684 HD2 LYS 91 1HD LYS 91 29.921 -9.592 14.332 685 HD3 LYS 91 2HD LYS 91 28.505 -9.069 13.407 686 HE2 LYS 91 1HE LYS 91 27.175 -10.883 14.436 687 HE3 LYS 91 2HE LYS 91 28.596 -11.343 15.410 688 HZ1 LYS 91 1HZ LYS 91 27.133 -9.848 16.620 689 HZ2 LYS 91 2HZ LYS 91 27.259 -8.699 15.442 690 HZ3 LYS 91 3HZ LYS 91 28.593 -9.118 16.338 691 HA PRO 92 HA PRO 92 32.893 -9.144 7.638 692 HB2 PRO 92 1HB PRO 92 31.428 -7.005 6.720 693 HB3 PRO 92 2HB PRO 92 31.261 -8.653 6.043 694 HG2 PRO 92 1HG PRO 92 29.571 -7.251 8.034 695 HG3 PRO 92 2HG PRO 92 29.087 -8.226 6.636 696 HD2 PRO 92 1HD PRO 92 29.105 -9.134 9.197 697 HD3 PRO 92 2HD PRO 92 29.378 -10.200 7.776 698 HA PRO 93 HA PRO 93 34.258 -6.303 10.663 699 HB2 PRO 93 1HB PRO 93 35.863 -4.526 9.376 700 HB3 PRO 93 2HB PRO 93 36.260 -6.274 9.448 701 HG2 PRO 93 1HG PRO 93 34.872 -4.742 7.267 702 HG3 PRO 93 2HG PRO 93 36.299 -5.822 7.151 703 HD2 PRO 93 1HD PRO 93 33.795 -6.686 6.610 704 HD3 PRO 93 2HD PRO 93 34.998 -7.755 7.415 705 H LEU 94 H LEU 94 34.469 -3.968 11.361 706 HA LEU 94 HA LEU 94 32.438 -2.200 10.122 707 HB2 LEU 94 1HB LEU 94 32.617 -3.109 12.999 708 HB3 LEU 94 2HB LEU 94 31.984 -1.515 12.619 709 HG LEU 94 HG LEU 94 30.806 -4.158 11.712 710 HD11 LEU 94 1HD1 LEU 94 28.961 -3.531 13.143 711 HD12 LEU 94 2HD1 LEU 94 29.757 -1.989 13.539 712 HD13 LEU 94 3HD1 LEU 94 30.469 -3.532 14.087 713 HD21 LEU 94 1HD2 LEU 94 29.849 -1.312 11.192 714 HD22 LEU 94 2HD2 LEU 94 28.916 -2.786 10.866 715 HD23 LEU 94 3HD2 LEU 94 30.406 -2.485 9.972 716 HA PRO 95 HA PRO 95 35.577 0.899 10.745 717 HB2 PRO 95 1HB PRO 95 34.100 3.173 10.677 718 HB3 PRO 95 2HB PRO 95 34.156 2.076 9.266 719 HG2 PRO 95 1HG PRO 95 32.114 2.209 11.466 720 HG3 PRO 95 2HG PRO 95 31.865 2.306 9.692 721 HD2 PRO 95 1HD PRO 95 31.584 -0.020 11.046 722 HD3 PRO 95 2HD PRO 95 32.271 0.026 9.391 723 H GLU 96 H GLU 96 35.348 3.316 12.099 724 HA GLU 96 HA GLU 96 35.605 4.355 14.049 725 HB2 GLU 96 1HB GLU 96 33.149 3.442 14.162 726 HB3 GLU 96 2HB GLU 96 33.805 2.459 15.468 727 HG2 GLU 96 1HG GLU 96 34.612 4.573 16.561 728 HG3 GLU 96 2HG GLU 96 33.837 5.493 15.269 729 H GLY 97 H GLY 97 37.014 1.674 13.410 730 HA2 GLY 97 1HA GLY 97 38.200 1.147 16.064 731 HA3 GLY 97 2HA GLY 97 38.584 0.310 14.554 732 H GLU 98 H GLU 98 39.952 1.334 13.023 733 HA GLU 98 HA GLU 98 41.613 3.539 14.172 734 HB2 GLU 98 1HB GLU 98 42.762 1.330 13.842 735 HB3 GLU 98 2HB GLU 98 42.440 1.470 12.108 736 HG2 GLU 98 1HG GLU 98 43.754 3.565 12.036 737 HG3 GLU 98 2HG GLU 98 44.059 3.430 13.777 738 H VAL 99 H VAL 99 41.461 5.445 13.132 739 HA VAL 99 HA VAL 99 39.886 5.573 10.687 740 HB VAL 99 HB VAL 99 39.510 7.170 12.482 741 HG11 VAL 99 1HG1 VAL 99 41.792 7.449 13.418 742 HG12 VAL 99 2HG1 VAL 99 42.317 8.292 11.952 743 HG13 VAL 99 3HG1 VAL 99 41.095 9.015 13.009 744 HG21 VAL 99 1HG2 VAL 99 39.367 9.231 11.135 745 HG22 VAL 99 2HG2 VAL 99 40.545 8.600 9.972 746 HG23 VAL 99 3HG2 VAL 99 38.954 7.832 10.136 747 HXT VAL 99 H02 VAL 99 41.347 4.250 9.884 Start of MODEL 38 1 H2 GLY 1 2H0 GLY 1 3.075 7.211 -4.962 2 H GLY 1 1H0 GLY 1 1.824 6.182 -5.197 3 HA2 GLY 1 1HA GLY 1 2.949 4.957 -6.902 4 HA3 GLY 1 2HA GLY 1 3.113 6.693 -7.275 5 H SER 2 H SER 2 4.792 5.608 -4.599 6 HA SER 2 HA SER 2 7.314 4.983 -6.039 7 HB2 SER 2 1HB SER 2 7.040 7.300 -4.087 8 HB3 SER 2 2HB SER 2 8.569 6.684 -4.750 9 HG SER 2 HG SER 2 6.832 7.142 -6.751 10 H MET 3 H MET 3 9.009 4.251 -4.492 11 HA MET 3 HA MET 3 7.864 3.217 -1.936 12 HB2 MET 3 1HB MET 3 7.817 1.481 -3.745 13 HB3 MET 3 2HB MET 3 9.561 1.669 -3.939 14 HG2 MET 3 1HG MET 3 9.939 0.824 -1.674 15 HG3 MET 3 2HG MET 3 8.191 0.764 -1.383 16 HE1 MET 3 1HE MET 3 11.304 -0.914 -3.028 17 HE2 MET 3 2HE MET 3 10.596 -2.140 -4.102 18 HE3 MET 3 3HE MET 3 10.489 -0.417 -4.530 19 H LYS 4 H LYS 4 9.474 2.854 -0.308 20 HA LYS 4 HA LYS 4 12.181 4.004 -0.883 21 HB2 LYS 4 1HB LYS 4 10.577 4.152 1.715 22 HB3 LYS 4 2HB LYS 4 12.231 4.734 1.496 23 HG2 LYS 4 1HG LYS 4 9.762 5.857 0.100 24 HG3 LYS 4 2HG LYS 4 10.562 6.565 1.512 25 HD2 LYS 4 1HD LYS 4 12.647 6.833 0.174 26 HD3 LYS 4 2HD LYS 4 11.792 6.200 -1.249 27 HE2 LYS 4 1HE LYS 4 10.142 8.044 -1.063 28 HE3 LYS 4 2HE LYS 4 11.046 8.697 0.321 29 HZ1 LYS 4 1HZ LYS 4 12.955 8.983 -1.139 30 HZ2 LYS 4 2HZ LYS 4 11.657 9.796 -1.749 31 HZ3 LYS 4 3HZ LYS 4 12.124 8.365 -2.424 32 H TYR 5 H TYR 5 13.810 2.689 -0.039 33 HA TYR 5 HA TYR 5 14.844 0.777 0.452 34 HB2 TYR 5 1HB TYR 5 12.572 0.613 2.418 35 HB3 TYR 5 2HB TYR 5 13.893 -0.534 2.371 36 HD1 TYR 5 HD1 TYR 5 12.818 2.101 4.215 37 HD2 TYR 5 HD2 TYR 5 16.330 0.928 2.007 38 HE1 TYR 5 HE1 TYR 5 14.228 3.592 5.633 39 HE2 TYR 5 HE2 TYR 5 17.714 2.428 3.414 40 HH TYR 5 HH TYR 5 16.338 4.367 6.074 41 H LEU 6 H LEU 6 14.825 -1.603 0.582 42 HA LEU 6 HA LEU 6 13.550 -2.579 -1.826 43 HB2 LEU 6 1HB LEU 6 15.043 -4.082 0.351 44 HB3 LEU 6 2HB LEU 6 14.678 -4.687 -1.253 45 HG LEU 6 HG LEU 6 16.561 -2.400 -0.672 46 HD11 LEU 6 1HD1 LEU 6 18.343 -4.032 -1.176 47 HD12 LEU 6 2HD1 LEU 6 17.123 -5.316 -1.360 48 HD13 LEU 6 3HD1 LEU 6 17.382 -4.545 0.225 49 HD21 LEU 6 1HD2 LEU 6 17.302 -2.736 -3.001 50 HD22 LEU 6 2HD2 LEU 6 15.602 -2.241 -2.916 51 HD23 LEU 6 3HD2 LEU 6 16.014 -3.944 -3.231 52 H ASN 7 H ASN 7 13.127 -3.243 1.646 53 HA ASN 7 HA ASN 7 11.515 -4.307 2.853 54 HB2 ASN 7 1HB ASN 7 9.722 -3.483 0.564 55 HB3 ASN 7 2HB ASN 7 9.180 -4.008 2.162 56 HD21 ASN 7 1HD2 ASN 7 10.306 -0.219 1.487 57 HD22 ASN 7 2HD2 ASN 7 10.249 -1.431 0.233 58 H VAL 8 H VAL 8 12.981 -6.200 1.856 59 HA VAL 8 HA VAL 8 11.091 -8.215 0.694 60 HB VAL 8 HB VAL 8 12.731 -9.022 -0.661 61 HG11 VAL 8 1HG1 VAL 8 14.276 -6.515 0.058 62 HG12 VAL 8 2HG1 VAL 8 14.353 -7.437 -1.461 63 HG13 VAL 8 3HG1 VAL 8 12.869 -6.558 -1.047 64 HG21 VAL 8 1HG2 VAL 8 14.043 -10.147 0.928 65 HG22 VAL 8 2HG2 VAL 8 15.176 -9.163 -0.013 66 HG23 VAL 8 3HG2 VAL 8 14.679 -8.631 1.601 67 H LEU 9 H LEU 9 11.449 -10.469 1.607 68 HA LEU 9 HA LEU 9 12.043 -10.209 4.515 69 HB2 LEU 9 1HB LEU 9 10.700 -12.444 2.965 70 HB3 LEU 9 2HB LEU 9 10.925 -12.395 4.708 71 HG LEU 9 HG LEU 9 9.170 -10.530 3.073 72 HD11 LEU 9 1HD1 LEU 9 7.329 -11.681 4.224 73 HD12 LEU 9 2HD1 LEU 9 8.491 -12.718 5.080 74 HD13 LEU 9 3HD1 LEU 9 8.318 -12.842 3.314 75 HD21 LEU 9 1HD2 LEU 9 10.042 -9.295 4.983 76 HD22 LEU 9 2HD2 LEU 9 9.661 -10.644 6.076 77 HD23 LEU 9 3HD2 LEU 9 8.354 -9.729 5.297 78 H ALA 10 H ALA 10 13.591 -11.408 5.551 79 HA ALA 10 HA ALA 10 15.126 -13.380 3.916 80 HB1 ALA 10 1HB ALA 10 17.240 -12.467 4.743 81 HB2 ALA 10 2HB ALA 10 16.336 -11.215 3.871 82 HB3 ALA 10 3HB ALA 10 16.366 -11.205 5.646 83 H LYS 11 H LYS 11 16.010 -15.088 5.095 84 HA LYS 11 HA LYS 11 14.973 -15.308 7.900 85 HB2 LYS 11 1HB LYS 11 14.092 -16.974 6.368 86 HB3 LYS 11 2HB LYS 11 15.707 -17.448 5.865 87 HG2 LYS 11 1HG LYS 11 16.172 -18.430 7.996 88 HG3 LYS 11 2HG LYS 11 14.753 -17.681 8.741 89 HD2 LYS 11 1HD LYS 11 14.535 -19.720 6.500 90 HD3 LYS 11 2HD LYS 11 14.607 -20.171 8.217 91 HE2 LYS 11 1HE LYS 11 12.652 -18.543 8.582 92 HE3 LYS 11 2HE LYS 11 12.470 -18.523 6.822 93 HZ1 LYS 11 1HZ LYS 11 12.094 -20.943 6.941 94 HZ2 LYS 11 2HZ LYS 11 10.978 -20.102 7.827 95 HZ3 LYS 11 3HZ LYS 11 12.207 -20.885 8.590 96 H ALA 12 H ALA 12 16.316 -15.803 9.538 97 HA ALA 12 HA ALA 12 19.188 -15.508 9.173 98 HB1 ALA 12 1HB ALA 12 18.022 -14.676 11.149 99 HB2 ALA 12 2HB ALA 12 17.462 -16.311 11.543 100 HB3 ALA 12 3HB ALA 12 19.192 -15.927 11.615 101 H LEU 13 H LEU 13 20.671 -17.088 8.771 102 HA LEU 13 HA LEU 13 19.773 -19.925 8.818 103 HB2 LEU 13 1HB LEU 13 22.439 -18.661 8.140 104 HB3 LEU 13 2HB LEU 13 22.075 -20.364 8.020 105 HG LEU 13 HG LEU 13 21.985 -19.832 5.886 106 HD11 LEU 13 1HD1 LEU 13 19.762 -19.628 5.002 107 HD12 LEU 13 2HD1 LEU 13 19.160 -18.930 6.524 108 HD13 LEU 13 3HD1 LEU 13 19.695 -20.630 6.464 109 HD21 LEU 13 1HD2 LEU 13 22.564 -17.480 6.317 110 HD22 LEU 13 2HD2 LEU 13 20.822 -17.125 6.438 111 HD23 LEU 13 3HD2 LEU 13 21.523 -17.723 4.915 112 H TYR 14 H TYR 14 21.315 -17.615 10.790 113 HA TYR 14 HA TYR 14 22.102 -19.687 12.753 114 HB2 TYR 14 1HB TYR 14 23.939 -17.465 11.789 115 HB3 TYR 14 2HB TYR 14 24.274 -18.621 13.081 116 HD1 TYR 14 HD1 TYR 14 24.221 -18.071 9.466 117 HD2 TYR 14 HD2 TYR 14 24.690 -21.039 12.542 118 HE1 TYR 14 HE1 TYR 14 25.172 -19.651 7.798 119 HE2 TYR 14 HE2 TYR 14 25.677 -22.599 10.876 120 HH TYR 14 HH TYR 14 26.144 -21.699 7.457 121 H ASP 15 H ASP 15 22.657 -18.584 14.848 122 HA ASP 15 HA ASP 15 20.777 -16.462 15.478 123 HB2 ASP 15 1HB ASP 15 23.094 -17.776 16.960 124 HB3 ASP 15 2HB ASP 15 22.185 -16.417 17.636 125 H ASN 16 H ASN 16 21.399 -14.341 16.234 126 HA ASN 16 HA ASN 16 24.194 -13.549 15.621 127 HB2 ASN 16 1HB ASN 16 22.635 -12.874 13.690 128 HB3 ASN 16 2HB ASN 16 21.904 -11.739 14.835 129 HD21 ASN 16 1HD2 ASN 16 24.404 -9.368 14.318 130 HD22 ASN 16 2HD2 ASN 16 22.729 -9.737 14.703 131 H VAL 17 H VAL 17 25.031 -12.279 17.146 132 HA VAL 17 HA VAL 17 23.189 -11.226 19.235 133 HB VAL 17 HB VAL 17 26.155 -11.967 19.424 134 HG11 VAL 17 1HG1 VAL 17 25.613 -10.031 20.852 135 HG12 VAL 17 2HG1 VAL 17 24.230 -10.909 21.551 136 HG13 VAL 17 3HG1 VAL 17 25.891 -11.469 21.850 137 HG21 VAL 17 1HG2 VAL 17 23.687 -13.291 20.649 138 HG22 VAL 17 2HG2 VAL 17 24.721 -13.973 19.373 139 HG23 VAL 17 3HG2 VAL 17 25.375 -13.731 21.005 140 H ALA 18 H ALA 18 23.072 -9.102 19.251 141 HA ALA 18 HA ALA 18 24.535 -7.557 17.277 142 HB1 ALA 18 1HB ALA 18 22.196 -7.054 17.735 143 HB2 ALA 18 2HB ALA 18 22.557 -6.773 19.456 144 HB3 ALA 18 3HB ALA 18 23.203 -5.671 18.219 145 H GLU 19 H GLU 19 26.526 -6.871 17.621 146 HA GLU 19 HA GLU 19 27.473 -6.574 20.451 147 HB2 GLU 19 1HB GLU 19 28.940 -6.979 17.819 148 HB3 GLU 19 2HB GLU 19 29.732 -6.715 19.382 149 HG2 GLU 19 1HG GLU 19 28.628 -8.731 20.276 150 HG3 GLU 19 2HG GLU 19 27.854 -9.006 18.718 151 H SER 20 H SER 20 26.653 -4.910 17.573 152 HA SER 20 HA SER 20 27.889 -2.383 18.620 153 HB2 SER 20 1HB SER 20 26.951 -3.166 15.828 154 HB3 SER 20 2HB SER 20 27.506 -1.542 16.293 155 HG SER 20 HG SER 20 29.112 -3.772 16.871 156 HA PRO 21 HA PRO 21 23.855 -1.190 19.679 157 HB2 PRO 21 1HB PRO 21 23.899 1.534 19.383 158 HB3 PRO 21 2HB PRO 21 24.818 0.677 20.664 159 HG2 PRO 21 1HG PRO 21 25.784 1.629 17.971 160 HG3 PRO 21 2HG PRO 21 26.512 1.885 19.588 161 HD2 PRO 21 1HD PRO 21 27.401 -0.026 17.970 162 HD3 PRO 21 2HD PRO 21 27.279 -0.282 19.746 163 H ASP 22 H ASP 22 24.978 -0.607 16.442 164 HA ASP 22 HA ASP 22 22.284 0.209 15.532 165 HB2 ASP 22 1HB ASP 22 25.006 0.635 14.631 166 HB3 ASP 22 2HB ASP 22 24.093 -0.165 13.359 167 H GLU 23 H GLU 23 23.758 -2.651 16.322 168 HA GLU 23 HA GLU 23 22.977 -4.077 13.856 169 HB2 GLU 23 1HB GLU 23 25.202 -4.357 15.030 170 HB3 GLU 23 2HB GLU 23 24.329 -5.137 16.349 171 HG2 GLU 23 1HG GLU 23 23.542 -6.875 14.783 172 HG3 GLU 23 2HG GLU 23 24.411 -6.075 13.471 173 H LEU 24 H LEU 24 21.642 -5.964 13.911 174 HA LEU 24 HA LEU 24 19.613 -5.919 16.111 175 HB2 LEU 24 1HB LEU 24 19.598 -7.131 13.342 176 HB3 LEU 24 2HB LEU 24 18.377 -7.495 14.552 177 HG LEU 24 HG LEU 24 18.955 -4.753 13.376 178 HD11 LEU 24 1HD1 LEU 24 17.951 -6.163 11.720 179 HD12 LEU 24 2HD1 LEU 24 16.696 -5.072 12.337 180 HD13 LEU 24 3HD1 LEU 24 16.746 -6.764 12.879 181 HD21 LEU 24 1HD2 LEU 24 16.858 -5.694 15.365 182 HD22 LEU 24 2HD2 LEU 24 16.795 -4.136 14.511 183 HD23 LEU 24 3HD2 LEU 24 18.136 -4.476 15.619 184 H SER 25 H SER 25 19.089 -7.693 17.284 185 HA SER 25 HA SER 25 20.908 -10.028 17.040 186 HB2 SER 25 1HB SER 25 20.105 -10.422 19.447 187 HB3 SER 25 2HB SER 25 21.207 -9.052 19.193 188 HG SER 25 HG SER 25 19.405 -8.475 20.481 189 H PHE 26 H PHE 26 20.019 -11.917 16.675 190 HA PHE 26 HA PHE 26 17.160 -12.431 17.062 191 HB2 PHE 26 1HB PHE 26 16.773 -13.064 14.680 192 HB3 PHE 26 2HB PHE 26 16.964 -11.339 14.961 193 HD1 PHE 26 HD1 PHE 26 18.939 -14.364 13.879 194 HD2 PHE 26 HD2 PHE 26 18.427 -10.097 13.680 195 HE1 PHE 26 HE1 PHE 26 20.644 -14.244 12.065 196 HE2 PHE 26 HE2 PHE 26 20.096 -9.974 11.882 197 HZ PHE 26 HZ PHE 26 21.194 -12.057 11.015 198 H ARG 27 H ARG 27 16.520 -14.622 16.197 199 HA ARG 27 HA ARG 27 18.672 -16.566 16.963 200 HB2 ARG 27 1HB ARG 27 16.588 -16.400 18.349 201 HB3 ARG 27 2HB ARG 27 15.614 -16.692 16.916 202 HG2 ARG 27 1HG ARG 27 15.592 -18.698 18.154 203 HG3 ARG 27 2HG ARG 27 16.647 -19.005 16.773 204 HD2 ARG 27 1HD ARG 27 18.608 -18.749 18.149 205 HD3 ARG 27 2HD ARG 27 17.644 -18.216 19.529 206 HE ARG 27 HE ARG 27 16.578 -20.650 19.039 207 HH11 ARG 27 1HH1 ARG 27 19.989 -19.710 19.316 208 HH12 ARG 27 2HH1 ARG 27 20.438 -21.281 19.950 209 HH21 ARG 27 1HH2 ARG 27 17.256 -22.601 19.866 210 HH22 ARG 27 2HH2 ARG 27 18.937 -22.869 20.240 211 H LYS 28 H LYS 28 18.868 -18.509 15.733 212 HA LYS 28 HA LYS 28 18.715 -18.333 12.901 213 HB2 LYS 28 1HB LYS 28 20.097 -19.939 14.172 214 HB3 LYS 28 2HB LYS 28 18.653 -20.727 14.799 215 HG2 LYS 28 1HG LYS 28 18.131 -21.686 12.693 216 HG3 LYS 28 2HG LYS 28 19.287 -20.645 11.846 217 HD2 LYS 28 1HD LYS 28 21.154 -21.691 13.062 218 HD3 LYS 28 2HD LYS 28 20.028 -22.729 13.946 219 HE2 LYS 28 1HE LYS 28 19.558 -24.043 12.052 220 HE3 LYS 28 2HE LYS 28 20.104 -22.773 10.931 221 HZ1 LYS 28 1HZ LYS 28 22.368 -23.143 11.644 222 HZ2 LYS 28 2HZ LYS 28 21.737 -24.582 11.145 223 HZ3 LYS 28 3HZ LYS 28 21.909 -24.274 12.755 224 H GLY 29 H GLY 29 17.113 -18.514 11.491 225 HA2 GLY 29 1HA GLY 29 15.128 -19.505 10.657 226 HA3 GLY 29 2HA GLY 29 14.614 -19.889 12.299 227 H ASP 30 H ASP 30 15.558 -16.825 12.776 228 HA ASP 30 HA ASP 30 12.853 -15.833 12.745 229 HB2 ASP 30 1HB ASP 30 15.562 -14.550 13.214 230 HB3 ASP 30 2HB ASP 30 14.074 -13.605 13.202 231 H ILE 31 H ILE 31 12.066 -13.959 11.625 232 HA ILE 31 HA ILE 31 13.256 -13.656 8.900 233 HB ILE 31 HB ILE 31 10.326 -13.371 9.733 234 HG12 ILE 31 1HG1 ILE 31 10.916 -15.717 9.666 235 HG13 ILE 31 2HG1 ILE 31 9.943 -15.313 8.257 236 HG21 ILE 31 1HG2 ILE 31 10.755 -11.799 7.950 237 HG22 ILE 31 2HG2 ILE 31 11.739 -12.976 7.047 238 HG23 ILE 31 3HG2 ILE 31 9.976 -13.202 7.196 239 HD11 ILE 31 1HD1 ILE 31 11.554 -16.673 7.359 240 HD12 ILE 31 2HD1 ILE 31 12.247 -15.080 7.022 241 HD13 ILE 31 3HD1 ILE 31 12.841 -16.036 8.405 242 H MET 32 H MET 32 13.923 -11.673 8.380 243 HA MET 32 HA MET 32 12.721 -9.367 9.860 244 HB2 MET 32 1HB MET 32 14.921 -8.231 9.665 245 HB3 MET 32 2HB MET 32 14.936 -9.629 10.720 246 HG2 MET 32 1HG MET 32 15.699 -10.762 8.356 247 HG3 MET 32 2HG MET 32 16.411 -9.156 8.241 248 HE1 MET 32 1HE MET 32 16.332 -12.646 9.989 249 HE2 MET 32 2HE MET 32 17.252 -12.389 11.488 250 HE3 MET 32 3HE MET 32 15.626 -11.696 11.317 251 H THR 33 H THR 33 12.685 -7.412 8.724 252 HA THR 33 HA THR 33 12.211 -7.849 5.814 253 HB THR 33 HB THR 33 11.701 -5.424 7.603 254 HG1 THR 33 HG1 THR 33 10.304 -7.085 8.110 255 HG21 THR 33 1HG2 THR 33 10.963 -6.023 4.718 256 HG22 THR 33 2HG2 THR 33 11.982 -4.688 5.329 257 HG23 THR 33 3HG2 THR 33 10.243 -4.716 5.690 258 H VAL 34 H VAL 34 13.930 -7.565 4.497 259 HA VAL 34 HA VAL 34 16.226 -5.975 5.351 260 HB VAL 34 HB VAL 34 15.637 -7.177 2.633 261 HG11 VAL 34 1HG1 VAL 34 18.231 -6.221 3.922 262 HG12 VAL 34 2HG1 VAL 34 18.123 -7.108 2.382 263 HG13 VAL 34 3HG1 VAL 34 17.404 -5.492 2.522 264 HG21 VAL 34 1HG2 VAL 34 16.992 -8.318 5.087 265 HG22 VAL 34 2HG2 VAL 34 15.583 -8.961 4.205 266 HG23 VAL 34 3HG2 VAL 34 17.187 -8.989 3.462 267 H LEU 35 H LEU 35 16.461 -3.896 5.078 268 HA LEU 35 HA LEU 35 14.500 -2.450 3.391 269 HB2 LEU 35 1HB LEU 35 16.499 -1.540 5.475 270 HB3 LEU 35 2HB LEU 35 15.353 -0.489 4.654 271 HG LEU 35 HG LEU 35 14.547 -2.843 6.397 272 HD11 LEU 35 1HD1 LEU 35 15.690 -1.274 7.752 273 HD12 LEU 35 2HD1 LEU 35 13.951 -1.059 8.026 274 HD13 LEU 35 3HD1 LEU 35 14.833 0.099 7.004 275 HD21 LEU 35 1HD2 LEU 35 12.812 -2.226 4.784 276 HD22 LEU 35 2HD2 LEU 35 12.951 -0.515 5.254 277 HD23 LEU 35 3HD2 LEU 35 12.335 -1.717 6.411 278 H GLU 36 H GLU 36 18.053 -2.681 4.002 279 HA GLU 36 HA GLU 36 18.416 -2.408 1.112 280 HB2 GLU 36 1HB GLU 36 19.725 -0.510 1.006 281 HB3 GLU 36 2HB GLU 36 18.366 -0.051 2.013 282 HG2 GLU 36 1HG GLU 36 19.770 -0.295 3.970 283 HG3 GLU 36 2HG GLU 36 21.132 -0.616 2.888 284 H ARG 37 H ARG 37 20.936 -2.498 0.656 285 HA ARG 37 HA ARG 37 22.152 -4.370 2.642 286 HB2 ARG 37 1HB ARG 37 22.195 -4.611 -0.384 287 HB3 ARG 37 2HB ARG 37 23.032 -5.671 0.752 288 HG2 ARG 37 1HG ARG 37 20.744 -6.274 1.697 289 HG3 ARG 37 2HG ARG 37 20.053 -5.410 0.314 290 HD2 ARG 37 1HD ARG 37 21.890 -7.805 0.233 291 HD3 ARG 37 2HD ARG 37 20.179 -7.763 -0.219 292 HE ARG 37 HE ARG 37 21.551 -5.842 -1.782 293 HH11 ARG 37 1HH1 ARG 37 21.538 -9.352 -1.449 294 HH12 ARG 37 2HH1 ARG 37 22.047 -9.603 -3.098 295 HH21 ARG 37 1HH2 ARG 37 22.201 -6.231 -3.863 296 HH22 ARG 37 2HH2 ARG 37 22.414 -7.859 -4.443 297 H ASP 38 H ASP 38 24.405 -4.234 2.717 298 HA ASP 38 HA ASP 38 26.389 -3.180 2.729 299 HB2 ASP 38 1HB ASP 38 25.704 -2.320 -0.089 300 HB3 ASP 38 2HB ASP 38 27.318 -2.525 0.610 301 H THR 39 H THR 39 24.203 -2.039 3.836 302 HA THR 39 HA THR 39 23.674 0.679 3.213 303 HB THR 39 HB THR 39 22.143 -0.663 4.557 304 HG1 THR 39 HG1 THR 39 22.032 1.504 5.007 305 HG21 THR 39 1HG2 THR 39 23.514 -2.155 5.683 306 HG22 THR 39 2HG2 THR 39 22.660 -1.188 6.887 307 HG23 THR 39 3HG2 THR 39 24.370 -0.850 6.542 308 H GLN 40 H GLN 40 24.362 2.575 4.098 309 HA GLN 40 HA GLN 40 25.866 4.093 4.833 310 HB2 GLN 40 1HB GLN 40 26.729 2.205 7.006 311 HB3 GLN 40 2HB GLN 40 26.639 3.961 7.033 312 HG2 GLN 40 1HG GLN 40 24.070 3.567 6.714 313 HG3 GLN 40 2HG GLN 40 24.427 1.928 7.265 314 HE21 GLN 40 1HE2 GLN 40 24.393 2.822 10.625 315 HE22 GLN 40 2HE2 GLN 40 24.285 1.591 9.389 316 H GLY 41 H GLY 41 26.865 1.665 3.086 317 HA2 GLY 41 1HA GLY 41 28.871 1.454 1.916 318 HA3 GLY 41 2HA GLY 41 29.649 2.594 3.031 319 H LEU 42 H LEU 42 27.831 0.137 4.605 320 HA LEU 42 HA LEU 42 30.336 -1.121 5.517 321 HB2 LEU 42 1HB LEU 42 27.459 -1.495 6.369 322 HB3 LEU 42 2HB LEU 42 28.869 -2.144 7.188 323 HG LEU 42 HG LEU 42 28.346 0.825 6.890 324 HD11 LEU 42 1HD1 LEU 42 27.498 0.708 9.200 325 HD12 LEU 42 2HD1 LEU 42 27.614 -1.069 9.142 326 HD13 LEU 42 3HD1 LEU 42 26.490 -0.206 8.058 327 HD21 LEU 42 1HD2 LEU 42 29.882 0.956 8.827 328 HD22 LEU 42 2HD2 LEU 42 30.667 0.209 7.418 329 HD23 LEU 42 3HD2 LEU 42 30.099 -0.804 8.767 330 H ASP 43 H ASP 43 30.956 -2.377 3.783 331 HA ASP 43 HA ASP 43 29.235 -3.862 2.108 332 HB2 ASP 43 1HB ASP 43 32.141 -4.207 2.898 333 HB3 ASP 43 2HB ASP 43 31.340 -5.362 1.818 334 H GLY 44 H GLY 44 28.102 -5.665 2.297 335 HA2 GLY 44 1HA GLY 44 27.654 -7.839 3.032 336 HA3 GLY 44 2HA GLY 44 28.963 -7.726 4.213 337 H TRP 45 H TRP 45 27.526 -4.981 5.053 338 HA TRP 45 HA TRP 45 25.794 -6.316 7.025 339 HB2 TRP 45 1HB TRP 45 26.915 -3.553 6.587 340 HB3 TRP 45 2HB TRP 45 25.688 -3.840 7.790 341 HD1 TRP 45 HD1 TRP 45 29.389 -4.021 7.314 342 HE1 TRP 45 HE1 TRP 45 30.567 -5.008 9.346 343 HE3 TRP 45 HE3 TRP 45 25.249 -5.860 9.635 344 HZ2 TRP 45 HZ2 TRP 45 29.773 -6.515 11.666 345 HZ3 TRP 45 HZ3 TRP 45 25.505 -7.054 11.798 346 HH2 TRP 45 HH2 TRP 45 27.739 -7.395 12.787 347 H TRP 46 H TRP 46 23.620 -6.344 6.849 348 HA TRP 46 HA TRP 46 22.417 -4.706 4.644 349 HB2 TRP 46 1HB TRP 46 21.598 -7.409 5.771 350 HB3 TRP 46 2HB TRP 46 20.692 -6.505 4.551 351 HD1 TRP 46 HD1 TRP 46 24.086 -5.913 3.475 352 HE1 TRP 46 HE1 TRP 46 24.946 -7.517 1.722 353 HE3 TRP 46 HE3 TRP 46 20.531 -9.548 4.082 354 HZ2 TRP 46 HZ2 TRP 46 24.210 -10.100 0.718 355 HZ3 TRP 46 HZ3 TRP 46 20.707 -11.621 2.710 356 HH2 TRP 46 HH2 TRP 46 22.502 -11.872 1.019 357 H LEU 47 H LEU 47 20.984 -3.210 5.226 358 HA LEU 47 HA LEU 47 20.272 -2.868 8.034 359 HB2 LEU 47 1HB LEU 47 20.587 -0.952 6.493 360 HB3 LEU 47 2HB LEU 47 19.278 -1.544 5.484 361 HG LEU 47 HG LEU 47 17.681 -1.102 7.273 362 HD11 LEU 47 1HD1 LEU 47 20.083 -0.105 8.813 363 HD12 LEU 47 2HD1 LEU 47 18.971 -1.423 9.257 364 HD13 LEU 47 3HD1 LEU 47 18.395 0.248 9.247 365 HD21 LEU 47 1HD2 LEU 47 17.785 1.354 7.185 366 HD22 LEU 47 2HD2 LEU 47 18.179 0.636 5.612 367 HD23 LEU 47 3HD2 LEU 47 19.480 1.264 6.649 368 H CYS 48 H CYS 48 18.653 -3.918 9.021 369 HA CYS 48 HA CYS 48 16.286 -4.646 7.362 370 HB2 CYS 48 1HB CYS 48 17.513 -6.510 9.427 371 HB3 CYS 48 2HB CYS 48 16.181 -6.843 8.326 372 HG CYS 48 HG CYS 48 19.357 -6.263 7.606 373 H SER 49 H SER 49 14.468 -5.357 8.749 374 HA SER 49 HA SER 49 14.443 -3.878 11.339 375 HB2 SER 49 1HB SER 49 12.736 -2.604 10.670 376 HB3 SER 49 2HB SER 49 13.114 -3.107 9.027 377 HG SER 49 HG SER 49 10.932 -3.482 9.502 378 H LEU 50 H LEU 50 13.779 -5.037 12.993 379 HA LEU 50 HA LEU 50 12.226 -7.543 12.557 380 HB2 LEU 50 1HB LEU 50 14.661 -8.120 12.486 381 HB3 LEU 50 2HB LEU 50 14.868 -7.340 14.053 382 HG LEU 50 HG LEU 50 12.810 -9.208 14.448 383 HD11 LEU 50 1HD1 LEU 50 15.083 -10.477 12.952 384 HD12 LEU 50 2HD1 LEU 50 13.449 -10.202 12.296 385 HD13 LEU 50 3HD1 LEU 50 13.681 -11.288 13.686 386 HD21 LEU 50 1HD2 LEU 50 14.509 -8.575 16.070 387 HD22 LEU 50 2HD2 LEU 50 15.774 -9.347 15.084 388 HD23 LEU 50 3HD2 LEU 50 14.505 -10.335 15.845 389 H HIS 51 H HIS 51 10.723 -7.723 14.120 390 HA HIS 51 HA HIS 51 9.460 -7.257 15.970 391 HB2 HIS 51 1HB HIS 51 12.166 -6.989 17.323 392 HB3 HIS 51 2HB HIS 51 10.618 -7.242 18.133 393 HD1 HIS 51 HD1 HIS 51 12.861 -9.319 18.552 394 HD2 HIS 51 HD2 HIS 51 9.983 -9.591 15.553 395 HE1 HIS 51 HE1 HIS 51 12.704 -11.760 17.894 396 H GLY 52 H GLY 52 10.149 -4.934 14.283 397 HA2 GLY 52 1HA GLY 52 9.467 -2.717 14.411 398 HA3 GLY 52 2HA GLY 52 9.240 -2.900 16.153 399 H ARG 53 H ARG 53 12.381 -3.908 15.181 400 HA ARG 53 HA ARG 53 13.482 -1.225 15.908 401 HB2 ARG 53 1HB ARG 53 13.707 -3.440 17.453 402 HB3 ARG 53 2HB ARG 53 15.040 -3.756 16.350 403 HG2 ARG 53 1HG ARG 53 14.947 -1.007 17.490 404 HG3 ARG 53 2HG ARG 53 15.231 -2.308 18.658 405 HD2 ARG 53 1HD ARG 53 17.147 -3.102 17.377 406 HD3 ARG 53 2HD ARG 53 16.841 -1.892 16.120 407 HE ARG 53 HE ARG 53 17.110 -0.557 18.605 408 HH11 ARG 53 1HH1 ARG 53 19.189 -2.301 16.321 409 HH12 ARG 53 2HH1 ARG 53 20.605 -1.423 16.836 410 HH21 ARG 53 1HH2 ARG 53 18.970 0.522 19.143 411 HH22 ARG 53 2HH2 ARG 53 20.486 0.125 18.360 412 H GLN 54 H GLN 54 15.260 -0.609 14.650 413 HA GLN 54 HA GLN 54 15.646 -2.206 12.153 414 HB2 GLN 54 1HB GLN 54 15.047 0.578 12.647 415 HB3 GLN 54 2HB GLN 54 16.626 0.436 11.860 416 HG2 GLN 54 1HG GLN 54 15.609 -0.886 10.080 417 HG3 GLN 54 2HG GLN 54 14.034 -0.751 10.880 418 HE21 GLN 54 1HE2 GLN 54 15.623 2.728 9.346 419 HE22 GLN 54 2HE2 GLN 54 16.665 1.586 10.156 420 H GLY 55 H GLY 55 17.767 -2.527 11.407 421 HA2 GLY 55 1HA GLY 55 20.029 -1.200 12.461 422 HA3 GLY 55 2HA GLY 55 19.785 -2.670 13.415 423 H ILE 56 H ILE 56 22.110 -2.516 12.122 424 HA ILE 56 HA ILE 56 21.861 -3.727 9.448 425 HB ILE 56 HB ILE 56 24.330 -3.712 9.406 426 HG12 ILE 56 1HG1 ILE 56 24.082 -2.774 12.311 427 HG13 ILE 56 2HG1 ILE 56 24.680 -4.347 11.794 428 HG21 ILE 56 1HG2 ILE 56 23.433 -1.077 10.693 429 HG22 ILE 56 2HG2 ILE 56 24.619 -1.343 9.389 430 HG23 ILE 56 3HG2 ILE 56 22.891 -1.578 9.068 431 HD11 ILE 56 1HD1 ILE 56 25.970 -1.637 11.395 432 HD12 ILE 56 2HD1 ILE 56 26.556 -3.008 12.351 433 HD13 ILE 56 3HD1 ILE 56 26.528 -3.116 10.579 434 H VAL 57 H VAL 57 22.772 -5.739 8.900 435 HA VAL 57 HA VAL 57 22.950 -7.769 11.081 436 HB VAL 57 HB VAL 57 21.242 -7.959 8.592 437 HG11 VAL 57 1HG1 VAL 57 20.473 -10.118 9.501 438 HG12 VAL 57 2HG1 VAL 57 22.149 -10.086 8.920 439 HG13 VAL 57 3HG1 VAL 57 21.809 -10.004 10.661 440 HG21 VAL 57 1HG2 VAL 57 20.478 -7.785 11.501 441 HG22 VAL 57 2HG2 VAL 57 20.108 -6.602 10.230 442 HG23 VAL 57 3HG2 VAL 57 19.332 -8.198 10.201 443 HA PRO 58 HA PRO 58 26.206 -8.872 8.222 444 HB2 PRO 58 1HB PRO 58 26.902 -11.347 9.155 445 HB3 PRO 58 2HB PRO 58 27.300 -9.841 10.044 446 HG2 PRO 58 1HG PRO 58 25.005 -11.735 10.484 447 HG3 PRO 58 2HG PRO 58 26.138 -11.049 11.679 448 HD2 PRO 58 1HD PRO 58 23.664 -10.013 11.221 449 HD3 PRO 58 2HD PRO 58 25.056 -8.995 11.684 450 H GLY 59 H GLY 59 25.552 -9.289 6.161 451 HA2 GLY 59 1HA GLY 59 23.387 -10.967 5.445 452 HA3 GLY 59 2HA GLY 59 24.675 -10.411 4.362 453 H ASN 60 H ASN 60 26.683 -11.754 6.207 454 HA ASN 60 HA ASN 60 26.899 -14.236 4.817 455 HB2 ASN 60 1HB ASN 60 28.575 -12.694 6.328 456 HB3 ASN 60 2HB ASN 60 28.240 -14.011 7.462 457 HD21 ASN 60 1HD2 ASN 60 29.635 -16.476 5.131 458 HD22 ASN 60 2HD2 ASN 60 28.161 -16.243 6.051 459 H ARG 61 H ARG 61 24.966 -13.365 7.555 460 HA ARG 61 HA ARG 61 24.581 -16.269 8.227 461 HB2 ARG 61 1HB ARG 61 24.141 -13.789 9.940 462 HB3 ARG 61 2HB ARG 61 23.772 -15.445 10.432 463 HG2 ARG 61 1HG ARG 61 26.152 -16.046 10.272 464 HG3 ARG 61 2HG ARG 61 26.548 -14.396 9.759 465 HD2 ARG 61 1HD ARG 61 25.733 -13.511 11.901 466 HD3 ARG 61 2HD ARG 61 25.267 -15.143 12.415 467 HE ARG 61 HE ARG 61 27.989 -15.285 11.722 468 HH11 ARG 61 1HH1 ARG 61 26.110 -13.511 14.153 469 HH12 ARG 61 2HH1 ARG 61 27.429 -13.545 15.295 470 HH21 ARG 61 1HH2 ARG 61 29.577 -15.274 13.207 471 HH22 ARG 61 2HH2 ARG 61 29.369 -14.496 14.764 472 H LEU 62 H LEU 62 23.305 -14.114 6.239 473 HA LEU 62 HA LEU 62 20.494 -14.712 7.037 474 HB2 LEU 62 1HB LEU 62 21.568 -12.279 7.221 475 HB3 LEU 62 2HB LEU 62 21.177 -12.245 5.504 476 HG LEU 62 HG LEU 62 18.835 -12.751 6.060 477 HD11 LEU 62 1HD1 LEU 62 19.650 -12.317 8.896 478 HD12 LEU 62 2HD1 LEU 62 19.061 -13.819 8.159 479 HD13 LEU 62 3HD1 LEU 62 17.988 -12.431 8.264 480 HD21 LEU 62 1HD2 LEU 62 20.082 -10.292 7.281 481 HD22 LEU 62 2HD2 LEU 62 18.344 -10.477 6.976 482 HD23 LEU 62 3HD2 LEU 62 19.487 -10.498 5.620 483 H LYS 63 H LYS 63 19.013 -15.185 5.504 484 HA LYS 63 HA LYS 63 20.056 -15.361 2.705 485 HB2 LYS 63 1HB LYS 63 19.897 -17.602 3.630 486 HB3 LYS 63 2HB LYS 63 18.234 -17.310 4.150 487 HG2 LYS 63 1HG LYS 63 17.455 -17.242 1.868 488 HG3 LYS 63 2HG LYS 63 19.111 -17.184 1.242 489 HD2 LYS 63 1HD LYS 63 18.263 -19.387 0.891 490 HD3 LYS 63 2HD LYS 63 19.497 -19.470 2.160 491 HE2 LYS 63 1HE LYS 63 17.695 -19.514 3.878 492 HE3 LYS 63 2HE LYS 63 16.480 -19.470 2.576 493 HZ1 LYS 63 1HZ LYS 63 17.400 -21.557 1.741 494 HZ2 LYS 63 2HZ LYS 63 16.924 -21.743 3.308 495 HZ3 LYS 63 3HZ LYS 63 18.527 -21.593 2.946 496 H ILE 64 H ILE 64 19.070 -14.154 1.344 497 HA ILE 64 HA ILE 64 16.567 -12.850 1.909 498 HB ILE 64 HB ILE 64 18.042 -13.203 -0.750 499 HG12 ILE 64 1HG1 ILE 64 19.541 -12.204 0.879 500 HG13 ILE 64 2HG1 ILE 64 19.033 -11.003 -0.291 501 HG21 ILE 64 1HG2 ILE 64 16.906 -10.944 -1.198 502 HG22 ILE 64 2HG2 ILE 64 15.889 -12.397 -1.253 503 HG23 ILE 64 3HG2 ILE 64 15.852 -11.344 0.176 504 HD11 ILE 64 1HD1 ILE 64 17.277 -10.245 1.483 505 HD12 ILE 64 2HD1 ILE 64 18.230 -11.229 2.628 506 HD13 ILE 64 3HD1 ILE 64 18.982 -9.865 1.781 507 H LEU 65 H LEU 65 14.549 -13.584 1.615 508 HA LEU 65 HA LEU 65 14.231 -16.252 0.348 509 HB2 LEU 65 1HB LEU 65 12.280 -14.571 1.947 510 HB3 LEU 65 2HB LEU 65 12.054 -16.248 1.455 511 HG LEU 65 HG LEU 65 14.127 -15.245 3.425 512 HD11 LEU 65 1HD1 LEU 65 11.548 -16.821 3.768 513 HD12 LEU 65 2HD1 LEU 65 11.806 -15.118 4.216 514 HD13 LEU 65 3HD1 LEU 65 12.688 -16.391 5.056 515 HD21 LEU 65 1HD2 LEU 65 14.471 -17.690 3.887 516 HD22 LEU 65 2HD2 LEU 65 15.015 -17.198 2.272 517 HD23 LEU 65 3HD2 LEU 65 13.469 -18.064 2.466 518 H VAL 66 H VAL 66 14.652 -14.200 -1.540 519 HA VAL 66 HA VAL 66 11.904 -13.767 -2.624 520 HB VAL 66 HB VAL 66 14.490 -12.329 -3.346 521 HG11 VAL 66 1HG1 VAL 66 11.622 -11.939 -4.344 522 HG12 VAL 66 2HG1 VAL 66 12.959 -10.802 -4.640 523 HG13 VAL 66 3HG1 VAL 66 13.027 -12.438 -5.315 524 HG21 VAL 66 1HG2 VAL 66 12.005 -11.396 -1.855 525 HG22 VAL 66 2HG2 VAL 66 13.593 -11.720 -1.125 526 HG23 VAL 66 3HG2 VAL 66 13.411 -10.392 -2.287 527 H GLY 67 H GLY 67 15.235 -14.521 -3.850 528 HA2 GLY 67 1HA GLY 67 15.793 -15.972 -5.615 529 HA3 GLY 67 2HA GLY 67 14.071 -16.419 -5.777 530 H MET 68 H MET 68 12.741 -15.230 -7.183 531 HA MET 68 HA MET 68 13.702 -12.636 -8.183 532 HB2 MET 68 1HB MET 68 14.656 -14.563 -9.636 533 HB3 MET 68 2HB MET 68 13.005 -14.772 -10.216 534 HG2 MET 68 1HG MET 68 14.575 -12.171 -10.381 535 HG3 MET 68 2HG MET 68 14.482 -13.365 -11.681 536 HE1 MET 68 1HE MET 68 12.742 -10.391 -9.849 537 HE2 MET 68 2HE MET 68 13.551 -10.036 -11.395 538 HE3 MET 68 3HE MET 68 11.788 -9.853 -11.249 539 H TYR 69 H TYR 69 11.953 -11.443 -7.696 540 HA TYR 69 HA TYR 69 9.396 -12.145 -9.000 541 HB2 TYR 69 1HB TYR 69 9.726 -11.610 -6.023 542 HB3 TYR 69 2HB TYR 69 8.210 -11.349 -6.885 543 HD1 TYR 69 HD1 TYR 69 6.796 -13.177 -7.603 544 HD2 TYR 69 HD2 TYR 69 10.563 -13.931 -5.692 545 HE1 TYR 69 HE1 TYR 69 6.137 -15.558 -7.243 546 HE2 TYR 69 HE2 TYR 69 9.903 -16.306 -5.322 547 HH TYR 69 HH TYR 69 8.283 -17.889 -5.602 548 H ASP 70 H ASP 70 8.204 -10.322 -9.504 549 HA ASP 70 HA ASP 70 9.524 -7.684 -9.227 550 HB2 ASP 70 1HB ASP 70 8.433 -8.339 -11.354 551 HB3 ASP 70 2HB ASP 70 6.898 -8.562 -10.497 552 H LYS 71 H LYS 71 7.011 -9.635 -7.776 553 HA LYS 71 HA LYS 71 5.995 -7.264 -6.278 554 HB2 LYS 71 1HB LYS 71 4.644 -9.961 -6.641 555 HB3 LYS 71 2HB LYS 71 3.944 -8.508 -5.922 556 HG2 LYS 71 1HG LYS 71 4.693 -8.899 -8.854 557 HG3 LYS 71 2HG LYS 71 3.062 -8.868 -8.175 558 HD2 LYS 71 1HD LYS 71 3.450 -6.484 -7.466 559 HD3 LYS 71 2HD LYS 71 5.028 -6.546 -8.279 560 HE2 LYS 71 1HE LYS 71 3.660 -7.341 -10.357 561 HE3 LYS 71 2HE LYS 71 2.267 -6.642 -9.501 562 HZ1 LYS 71 1HZ LYS 71 3.585 -4.550 -9.376 563 HZ2 LYS 71 2HZ LYS 71 3.274 -5.004 -10.933 564 HZ3 LYS 71 3HZ LYS 71 4.774 -5.256 -10.291 565 H LYS 72 H LYS 72 5.361 -7.632 -4.048 566 HA LYS 72 HA LYS 72 7.431 -9.126 -2.599 567 HB2 LYS 72 1HB LYS 72 5.032 -7.487 -1.666 568 HB3 LYS 72 2HB LYS 72 6.268 -8.164 -0.596 569 HG2 LYS 72 1HG LYS 72 7.992 -6.823 -1.760 570 HG3 LYS 72 2HG LYS 72 6.722 -6.104 -2.769 571 HD2 LYS 72 1HD LYS 72 5.619 -5.225 -0.730 572 HD3 LYS 72 2HD LYS 72 6.924 -5.921 0.258 573 HE2 LYS 72 1HE LYS 72 7.383 -3.572 -0.113 574 HE3 LYS 72 2HE LYS 72 8.575 -4.550 -0.993 575 HZ1 LYS 72 1HZ LYS 72 6.188 -3.270 -2.192 576 HZ2 LYS 72 2HZ LYS 72 7.299 -4.179 -3.008 577 HZ3 LYS 72 3HZ LYS 72 7.743 -2.740 -2.340 578 HA PRO 73 HA PRO 73 4.948 -12.707 -2.074 579 HB2 PRO 73 1HB PRO 73 5.463 -13.600 0.457 580 HB3 PRO 73 2HB PRO 73 6.688 -13.650 -0.851 581 HG2 PRO 73 1HG PRO 73 6.307 -11.559 1.283 582 HG3 PRO 73 2HG PRO 73 7.794 -12.462 0.842 583 HD2 PRO 73 1HD PRO 73 7.349 -10.002 -0.130 584 HD3 PRO 73 2HD PRO 73 8.047 -11.281 -1.181 585 H ALA 74 H ALA 74 4.405 -10.011 0.020 586 HA ALA 74 HA ALA 74 2.603 -9.243 1.176 587 HB1 ALA 74 1HB ALA 74 0.436 -9.523 0.088 588 HB2 ALA 74 2HB ALA 74 1.698 -9.335 -1.153 589 HB3 ALA 74 3HB ALA 74 1.025 -10.945 -0.801 590 H GLY 75 H GLY 75 3.794 -11.561 2.393 591 HA2 GLY 75 1HA GLY 75 1.637 -12.238 4.204 592 HA3 GLY 75 2HA GLY 75 2.172 -13.616 3.211 593 H SER 76 H SER 76 2.679 -14.172 5.691 594 HA SER 76 HA SER 76 5.585 -13.682 6.033 595 HB2 SER 76 1HB SER 76 3.504 -13.179 8.202 596 HB3 SER 76 2HB SER 76 5.268 -13.125 8.415 597 HG SER 76 HG SER 76 4.635 -11.584 6.339 598 H GLY 77 H GLY 77 6.462 -15.183 7.768 599 HA2 GLY 77 1HA GLY 77 4.821 -17.405 8.618 600 HA3 GLY 77 2HA GLY 77 5.914 -17.845 7.279 601 H GLY 78 H GLY 78 6.441 -19.117 9.620 602 HA2 GLY 78 1HA GLY 78 8.758 -17.595 10.749 603 HA3 GLY 78 2HA GLY 78 7.646 -18.527 11.753 604 H SER 79 H SER 79 9.324 -19.758 12.593 605 HA SER 79 HA SER 79 10.101 -22.045 10.866 606 HB2 SER 79 1HB SER 79 12.027 -20.459 12.621 607 HB3 SER 79 2HB SER 79 12.398 -21.986 11.792 608 HG SER 79 HG SER 79 12.354 -19.429 10.838 609 H GLY 80 H GLY 80 10.786 -23.896 12.242 610 HA2 GLY 80 1HA GLY 80 10.106 -23.604 15.117 611 HA3 GLY 80 2HA GLY 80 9.313 -24.877 14.161 612 H SER 81 H SER 81 12.056 -24.062 16.019 613 HA SER 81 HA SER 81 13.270 -26.679 15.464 614 HB2 SER 81 1HB SER 81 15.530 -25.627 15.077 615 HB3 SER 81 2HB SER 81 14.382 -25.355 13.747 616 HG SER 81 HG SER 81 14.770 -23.497 15.862 617 H GLY 82 H GLY 82 14.382 -27.403 17.278 618 HA2 GLY 82 1HA GLY 82 14.412 -25.493 19.582 619 HA3 GLY 82 2HA GLY 82 14.105 -27.227 19.715 620 H LEU 83 H LEU 83 16.467 -27.034 17.438 621 HA LEU 83 HA LEU 83 18.669 -27.098 19.446 622 HB2 LEU 83 1HB LEU 83 18.133 -29.065 17.201 623 HB3 LEU 83 2HB LEU 83 19.650 -28.919 18.067 624 HG LEU 83 HG LEU 83 18.187 -29.367 20.201 625 HD11 LEU 83 1HD1 LEU 83 16.548 -30.672 17.986 626 HD12 LEU 83 2HD1 LEU 83 16.002 -29.411 19.116 627 HD13 LEU 83 3HD1 LEU 83 16.394 -31.025 19.724 628 HD21 LEU 83 1HD2 LEU 83 18.980 -31.499 18.186 629 HD22 LEU 83 2HD2 LEU 83 18.717 -31.755 19.929 630 HD23 LEU 83 3HD2 LEU 83 20.050 -30.720 19.371 631 H THR 84 H THR 84 20.709 -26.468 18.603 632 HA THR 84 HA THR 84 20.778 -25.422 15.824 633 HB THR 84 HB THR 84 21.954 -23.375 16.674 634 HG1 THR 84 HG1 THR 84 22.342 -24.059 18.800 635 HG21 THR 84 1HG2 THR 84 19.087 -23.559 17.651 636 HG22 THR 84 2HG2 THR 84 19.526 -23.406 15.941 637 HG23 THR 84 3HG2 THR 84 19.949 -22.111 17.082 638 H ASP 85 H ASP 85 21.962 -27.529 15.950 639 HA ASP 85 HA ASP 85 24.560 -27.502 17.299 640 HB2 ASP 85 1HB ASP 85 23.406 -29.580 15.425 641 HB3 ASP 85 2HB ASP 85 24.677 -29.797 16.642 642 H GLU 86 H GLU 86 24.808 -25.456 15.611 643 HA GLU 86 HA GLU 86 26.805 -26.338 13.716 644 HB2 GLU 86 1HB GLU 86 24.141 -25.965 12.763 645 HB3 GLU 86 2HB GLU 86 25.047 -24.520 12.296 646 HG2 GLU 86 1HG GLU 86 25.968 -27.358 11.721 647 HG3 GLU 86 2HG GLU 86 25.029 -26.368 10.592 648 H LEU 87 H LEU 87 28.204 -24.716 13.398 649 HA LEU 87 HA LEU 87 27.902 -22.376 15.199 650 HB2 LEU 87 1HB LEU 87 30.291 -23.436 13.653 651 HB3 LEU 87 2HB LEU 87 30.325 -22.056 14.751 652 HG LEU 87 HG LEU 87 29.670 -24.911 15.573 653 HD11 LEU 87 1HD1 LEU 87 32.009 -24.645 14.842 654 HD12 LEU 87 2HD1 LEU 87 31.910 -24.895 16.596 655 HD13 LEU 87 3HD1 LEU 87 32.207 -23.263 15.947 656 HD21 LEU 87 1HD2 LEU 87 30.015 -24.035 17.887 657 HD22 LEU 87 2HD2 LEU 87 28.615 -23.306 17.086 658 HD23 LEU 87 3HD2 LEU 87 30.136 -22.389 17.227 659 H ALA 88 H ALA 88 28.151 -20.253 14.534 660 HA ALA 88 HA ALA 88 27.241 -19.831 11.804 661 HB1 ALA 88 1HB ALA 88 26.309 -18.664 13.831 662 HB2 ALA 88 2HB ALA 88 27.837 -17.753 13.931 663 HB3 ALA 88 3HB ALA 88 26.788 -17.593 12.499 664 HA PRO 89 HA PRO 89 31.221 -18.603 10.222 665 HB2 PRO 89 1HB PRO 89 30.472 -17.046 8.101 666 HB3 PRO 89 2HB PRO 89 30.264 -18.823 8.100 667 HG2 PRO 89 1HG PRO 89 28.275 -16.677 8.776 668 HG3 PRO 89 2HG PRO 89 28.101 -18.052 7.641 669 HD2 PRO 89 1HD PRO 89 27.138 -18.155 10.153 670 HD3 PRO 89 2HD PRO 89 27.868 -19.598 9.369 671 HA PRO 90 HA PRO 90 31.896 -14.696 12.044 672 HB2 PRO 90 1HB PRO 90 33.804 -13.428 10.554 673 HB3 PRO 90 2HB PRO 90 34.158 -14.893 11.527 674 HG2 PRO 90 1HG PRO 90 33.519 -14.681 8.596 675 HG3 PRO 90 2HG PRO 90 34.883 -15.529 9.396 676 HD2 PRO 90 1HD PRO 90 32.652 -16.837 8.624 677 HD3 PRO 90 2HD PRO 90 33.496 -17.278 10.144 678 H LYS 91 H LYS 91 31.613 -12.371 11.904 679 HA LYS 91 HA LYS 91 29.740 -11.564 9.739 680 HB2 LYS 91 1HB LYS 91 29.351 -9.579 11.230 681 HB3 LYS 91 2HB LYS 91 28.908 -11.115 11.984 682 HG2 LYS 91 1HG LYS 91 30.927 -11.098 13.352 683 HG3 LYS 91 2HG LYS 91 31.547 -9.679 12.495 684 HD2 LYS 91 1HD LYS 91 30.685 -8.992 14.648 685 HD3 LYS 91 2HD LYS 91 29.661 -8.324 13.371 686 HE2 LYS 91 1HE LYS 91 27.947 -10.017 13.785 687 HE3 LYS 91 2HE LYS 91 29.012 -10.851 14.941 688 HZ1 LYS 91 1HZ LYS 91 27.343 -9.422 16.004 689 HZ2 LYS 91 2HZ LYS 91 28.008 -8.091 15.308 690 HZ3 LYS 91 3HZ LYS 91 28.886 -8.990 16.397 691 HA PRO 92 HA PRO 92 33.154 -9.205 8.146 692 HB2 PRO 92 1HB PRO 92 31.932 -7.007 7.029 693 HB3 PRO 92 2HB PRO 92 31.882 -8.632 6.275 694 HG2 PRO 92 1HG PRO 92 29.830 -7.263 7.951 695 HG3 PRO 92 2HG PRO 92 29.624 -8.175 6.438 696 HD2 PRO 92 1HD PRO 92 29.121 -9.211 8.908 697 HD3 PRO 92 2HD PRO 92 29.705 -10.217 7.538 698 HA PRO 93 HA PRO 93 33.812 -6.521 11.563 699 HB2 PRO 93 1HB PRO 93 35.877 -4.925 10.812 700 HB3 PRO 93 2HB PRO 93 36.079 -6.698 10.996 701 HG2 PRO 93 1HG PRO 93 35.539 -5.110 8.498 702 HG3 PRO 93 2HG PRO 93 36.835 -6.310 8.810 703 HD2 PRO 93 1HD PRO 93 34.537 -6.983 7.548 704 HD3 PRO 93 2HD PRO 93 35.347 -8.119 8.682 705 H LEU 94 H LEU 94 34.046 -4.163 12.254 706 HA LEU 94 HA LEU 94 32.434 -2.369 10.495 707 HB2 LEU 94 1HB LEU 94 32.063 -3.167 13.372 708 HB3 LEU 94 2HB LEU 94 31.529 -1.583 12.848 709 HG LEU 94 HG LEU 94 30.584 -4.219 11.691 710 HD11 LEU 94 1HD1 LEU 94 28.542 -3.791 12.845 711 HD12 LEU 94 2HD1 LEU 94 29.152 -2.227 13.438 712 HD13 LEU 94 3HD1 LEU 94 29.875 -3.753 14.015 713 HD21 LEU 94 1HD2 LEU 94 30.423 -2.456 10.033 714 HD22 LEU 94 2HD2 LEU 94 29.655 -1.363 11.213 715 HD23 LEU 94 3HD2 LEU 94 28.813 -2.822 10.652 716 HA PRO 95 HA PRO 95 35.414 0.732 11.555 717 HB2 PRO 95 1HB PRO 95 33.992 3.033 11.350 718 HB3 PRO 95 2HB PRO 95 34.213 1.963 9.933 719 HG2 PRO 95 1HG PRO 95 31.913 2.088 11.861 720 HG3 PRO 95 2HG PRO 95 31.886 2.222 10.070 721 HD2 PRO 95 1HD PRO 95 31.409 -0.127 11.335 722 HD3 PRO 95 2HD PRO 95 32.287 -0.073 9.779 723 H GLU 96 H GLU 96 35.132 3.104 12.921 724 HA GLU 96 HA GLU 96 35.249 4.072 14.931 725 HB2 GLU 96 1HB GLU 96 32.700 3.435 14.656 726 HB3 GLU 96 2HB GLU 96 33.061 2.395 16.028 727 HG2 GLU 96 1HG GLU 96 34.075 4.580 17.090 728 HG3 GLU 96 2HG GLU 96 33.145 5.415 15.844 729 H GLY 97 H GLY 97 36.413 1.222 14.529 730 HA2 GLY 97 1HA GLY 97 38.301 0.551 15.848 731 HA3 GLY 97 2HA GLY 97 37.502 1.167 17.295 732 H GLU 98 H GLU 98 35.262 -0.559 15.431 733 HA GLU 98 HA GLU 98 35.206 -2.801 17.247 734 HB2 GLU 98 1HB GLU 98 33.318 -1.822 15.804 735 HB3 GLU 98 2HB GLU 98 34.040 -2.686 14.453 736 HG2 GLU 98 1HG GLU 98 33.141 -4.035 17.016 737 HG3 GLU 98 2HG GLU 98 32.091 -3.827 15.605 738 H VAL 99 H VAL 99 35.984 -4.927 16.868 739 HA VAL 99 HA VAL 99 38.437 -4.893 15.239 740 HB VAL 99 HB VAL 99 39.136 -6.791 16.699 741 HG11 VAL 99 1HG1 VAL 99 38.205 -4.274 18.226 742 HG12 VAL 99 2HG1 VAL 99 39.493 -5.380 18.727 743 HG13 VAL 99 3HG1 VAL 99 39.684 -4.397 17.269 744 HG21 VAL 99 1HG2 VAL 99 36.533 -6.243 18.274 745 HG22 VAL 99 2HG2 VAL 99 36.822 -7.675 17.274 746 HG23 VAL 99 3HG2 VAL 99 37.811 -7.385 18.711 747 HXT VAL 99 H02 VAL 99 35.563 -6.537 15.247 Start of MODEL 39 1 H2 GLY 1 2H0 GLY 1 3.447 3.744 -5.107 2 H GLY 1 1H0 GLY 1 2.565 3.760 -3.694 3 HA2 GLY 1 1HA GLY 1 2.372 5.898 -5.789 4 HA3 GLY 1 2HA GLY 1 1.642 5.945 -4.171 5 H SER 2 H SER 2 4.239 4.676 -3.230 6 HA SER 2 HA SER 2 6.194 6.865 -3.548 7 HB2 SER 2 1HB SER 2 5.082 6.013 -0.838 8 HB3 SER 2 2HB SER 2 6.490 7.071 -1.079 9 HG SER 2 HG SER 2 4.354 7.925 -2.515 10 H MET 3 H MET 3 8.342 6.084 -3.006 11 HA MET 3 HA MET 3 8.479 3.169 -2.401 12 HB2 MET 3 1HB MET 3 9.901 4.611 -4.667 13 HB3 MET 3 2HB MET 3 10.232 2.953 -4.153 14 HG2 MET 3 1HG MET 3 7.953 2.290 -4.769 15 HG3 MET 3 2HG MET 3 7.584 3.958 -5.238 16 HE1 MET 3 1HE MET 3 7.089 1.545 -7.230 17 HE2 MET 3 2HE MET 3 6.799 3.252 -7.642 18 HE3 MET 3 3HE MET 3 7.751 2.224 -8.738 19 H LYS 4 H LYS 4 10.086 2.622 -1.066 20 HA LYS 4 HA LYS 4 12.533 4.197 -0.822 21 HB2 LYS 4 1HB LYS 4 10.311 4.558 1.076 22 HB3 LYS 4 2HB LYS 4 11.715 3.838 1.865 23 HG2 LYS 4 1HG LYS 4 11.853 6.388 0.230 24 HG3 LYS 4 2HG LYS 4 11.558 6.358 1.980 25 HD2 LYS 4 1HD LYS 4 13.715 5.120 2.283 26 HD3 LYS 4 2HD LYS 4 14.014 5.297 0.539 27 HE2 LYS 4 1HE LYS 4 13.937 7.760 0.765 28 HE3 LYS 4 2HE LYS 4 13.632 7.580 2.507 29 HZ1 LYS 4 1HZ LYS 4 15.979 7.979 2.049 30 HZ2 LYS 4 2HZ LYS 4 16.074 6.630 1.100 31 HZ3 LYS 4 3HZ LYS 4 15.780 6.487 2.716 32 H TYR 5 H TYR 5 14.098 2.738 -0.138 33 HA TYR 5 HA TYR 5 15.072 0.768 0.306 34 HB2 TYR 5 1HB TYR 5 12.667 0.558 2.117 35 HB3 TYR 5 2HB TYR 5 14.001 -0.574 2.138 36 HD1 TYR 5 HD1 TYR 5 16.437 0.833 1.984 37 HD2 TYR 5 HD2 TYR 5 12.801 2.087 3.909 38 HE1 TYR 5 HE1 TYR 5 17.745 2.310 3.484 39 HE2 TYR 5 HE2 TYR 5 14.132 3.561 5.426 40 HH TYR 5 HH TYR 5 17.707 3.741 5.232 41 H LEU 6 H LEU 6 14.785 -1.677 0.581 42 HA LEU 6 HA LEU 6 13.654 -2.609 -1.974 43 HB2 LEU 6 1HB LEU 6 15.139 -4.092 0.232 44 HB3 LEU 6 2HB LEU 6 14.817 -4.693 -1.382 45 HG LEU 6 HG LEU 6 16.655 -2.376 -0.762 46 HD11 LEU 6 1HD1 LEU 6 17.488 -4.512 0.132 47 HD12 LEU 6 2HD1 LEU 6 18.468 -3.993 -1.249 48 HD13 LEU 6 3HD1 LEU 6 17.253 -5.279 -1.446 49 HD21 LEU 6 1HD2 LEU 6 15.745 -2.211 -3.010 50 HD22 LEU 6 2HD2 LEU 6 16.142 -3.916 -3.330 51 HD23 LEU 6 3HD2 LEU 6 17.441 -2.714 -3.082 52 H ASN 7 H ASN 7 13.155 -3.065 1.493 53 HA ASN 7 HA ASN 7 11.583 -4.139 2.749 54 HB2 ASN 7 1HB ASN 7 9.771 -3.464 0.405 55 HB3 ASN 7 2HB ASN 7 9.237 -3.914 2.030 56 HD21 ASN 7 1HD2 ASN 7 10.558 -0.805 3.446 57 HD22 ASN 7 2HD2 ASN 7 10.745 -2.517 3.722 58 H VAL 8 H VAL 8 13.099 -6.092 1.664 59 HA VAL 8 HA VAL 8 11.150 -8.127 0.638 60 HB VAL 8 HB VAL 8 12.771 -8.986 -0.705 61 HG11 VAL 8 1HG1 VAL 8 14.387 -7.416 -1.549 62 HG12 VAL 8 2HG1 VAL 8 12.909 -6.530 -1.134 63 HG13 VAL 8 3HG1 VAL 8 14.329 -6.467 -0.034 64 HG21 VAL 8 1HG2 VAL 8 14.723 -8.548 1.538 65 HG22 VAL 8 2HG2 VAL 8 14.111 -10.076 0.871 66 HG23 VAL 8 3HG2 VAL 8 15.237 -9.081 -0.066 67 H LEU 9 H LEU 9 11.473 -10.350 1.579 68 HA LEU 9 HA LEU 9 12.140 -10.059 4.469 69 HB2 LEU 9 1HB LEU 9 10.660 -12.264 3.004 70 HB3 LEU 9 2HB LEU 9 10.950 -12.201 4.737 71 HG LEU 9 HG LEU 9 9.269 -10.220 3.144 72 HD11 LEU 9 1HD1 LEU 9 7.384 -11.261 4.332 73 HD12 LEU 9 2HD1 LEU 9 8.493 -12.409 5.113 74 HD13 LEU 9 3HD1 LEU 9 8.258 -12.451 3.346 75 HD21 LEU 9 1HD2 LEU 9 8.548 -9.425 5.419 76 HD22 LEU 9 2HD2 LEU 9 10.237 -9.066 5.052 77 HD23 LEU 9 3HD2 LEU 9 9.838 -10.417 6.132 78 H ALA 10 H ALA 10 13.581 -11.327 5.521 79 HA ALA 10 HA ALA 10 15.122 -13.308 3.900 80 HB1 ALA 10 1HB ALA 10 16.372 -11.176 3.914 81 HB2 ALA 10 2HB ALA 10 16.340 -11.180 5.692 82 HB3 ALA 10 3HB ALA 10 17.231 -12.444 4.808 83 H LYS 11 H LYS 11 15.988 -15.043 5.078 84 HA LYS 11 HA LYS 11 14.931 -15.269 7.872 85 HB2 LYS 11 1HB LYS 11 14.103 -16.989 6.382 86 HB3 LYS 11 2HB LYS 11 15.724 -17.380 5.818 87 HG2 LYS 11 1HG LYS 11 16.328 -18.368 7.907 88 HG3 LYS 11 2HG LYS 11 14.919 -17.684 8.725 89 HD2 LYS 11 1HD LYS 11 14.639 -19.706 6.496 90 HD3 LYS 11 2HD LYS 11 14.856 -20.161 8.200 91 HE2 LYS 11 1HE LYS 11 12.894 -18.687 8.763 92 HE3 LYS 11 2HE LYS 11 12.602 -18.527 7.019 93 HZ1 LYS 11 1HZ LYS 11 12.592 -21.084 8.516 94 HZ2 LYS 11 2HZ LYS 11 12.270 -20.909 6.906 95 HZ3 LYS 11 3HZ LYS 11 11.249 -20.250 8.037 96 H ALA 12 H ALA 12 16.295 -15.720 9.537 97 HA ALA 12 HA ALA 12 19.175 -15.440 9.168 98 HB1 ALA 12 1HB ALA 12 17.482 -16.265 11.548 99 HB2 ALA 12 2HB ALA 12 19.204 -15.869 11.598 100 HB3 ALA 12 3HB ALA 12 18.014 -14.623 11.160 101 H LEU 13 H LEU 13 20.642 -17.025 8.739 102 HA LEU 13 HA LEU 13 19.751 -19.856 8.756 103 HB2 LEU 13 1HB LEU 13 22.423 -18.558 8.131 104 HB3 LEU 13 2HB LEU 13 22.105 -20.274 8.035 105 HG LEU 13 HG LEU 13 21.996 -19.810 5.884 106 HD11 LEU 13 1HD1 LEU 13 19.777 -19.600 4.971 107 HD12 LEU 13 2HD1 LEU 13 19.178 -18.858 6.467 108 HD13 LEU 13 3HD1 LEU 13 19.692 -20.558 6.450 109 HD21 LEU 13 1HD2 LEU 13 22.612 -17.461 6.250 110 HD22 LEU 13 2HD2 LEU 13 20.871 -17.078 6.379 111 HD23 LEU 13 3HD2 LEU 13 21.547 -17.715 4.863 112 H TYR 14 H TYR 14 21.383 -17.571 10.767 113 HA TYR 14 HA TYR 14 22.074 -19.701 12.712 114 HB2 TYR 14 1HB TYR 14 23.968 -17.485 11.840 115 HB3 TYR 14 2HB TYR 14 24.270 -18.708 13.076 116 HD1 TYR 14 HD1 TYR 14 24.294 -17.974 9.501 117 HD2 TYR 14 HD2 TYR 14 24.618 -21.128 12.410 118 HE1 TYR 14 HE1 TYR 14 25.263 -19.480 7.763 119 HE2 TYR 14 HE2 TYR 14 25.615 -22.615 10.680 120 HH TYR 14 HH TYR 14 26.214 -21.519 7.333 121 H ASP 15 H ASP 15 22.631 -18.647 14.839 122 HA ASP 15 HA ASP 15 20.825 -16.488 15.567 123 HB2 ASP 15 1HB ASP 15 21.767 -18.396 17.025 124 HB3 ASP 15 2HB ASP 15 23.281 -17.473 17.035 125 H ASN 16 H ASN 16 21.567 -14.458 16.460 126 HA ASN 16 HA ASN 16 24.307 -13.617 15.808 127 HB2 ASN 16 1HB ASN 16 22.799 -13.016 13.803 128 HB3 ASN 16 2HB ASN 16 22.006 -11.870 14.892 129 HD21 ASN 16 1HD2 ASN 16 24.460 -9.454 14.368 130 HD22 ASN 16 2HD2 ASN 16 22.779 -9.865 14.710 131 H VAL 17 H VAL 17 25.073 -12.461 17.443 132 HA VAL 17 HA VAL 17 23.147 -11.242 19.359 133 HB VAL 17 HB VAL 17 26.082 -12.049 19.738 134 HG11 VAL 17 1HG1 VAL 17 25.697 -11.427 22.129 135 HG12 VAL 17 2HG1 VAL 17 25.549 -10.028 21.047 136 HG13 VAL 17 3HG1 VAL 17 24.083 -10.818 21.699 137 HG21 VAL 17 1HG2 VAL 17 23.515 -13.235 20.886 138 HG22 VAL 17 2HG2 VAL 17 24.598 -14.007 19.716 139 HG23 VAL 17 3HG2 VAL 17 25.165 -13.701 21.368 140 H ALA 18 H ALA 18 23.061 -9.118 19.248 141 HA ALA 18 HA ALA 18 24.609 -7.658 17.304 142 HB1 ALA 18 1HB ALA 18 22.271 -7.086 17.767 143 HB2 ALA 18 2HB ALA 18 22.667 -6.755 19.471 144 HB3 ALA 18 3HB ALA 18 23.322 -5.709 18.195 145 H GLU 19 H GLU 19 26.505 -6.683 17.580 146 HA GLU 19 HA GLU 19 27.507 -6.314 20.385 147 HB2 GLU 19 1HB GLU 19 28.978 -6.650 17.751 148 HB3 GLU 19 2HB GLU 19 29.759 -6.258 19.285 149 HG2 GLU 19 1HG GLU 19 28.969 -8.348 20.253 150 HG3 GLU 19 2HG GLU 19 28.131 -8.761 18.760 151 H SER 20 H SER 20 26.827 -4.820 17.300 152 HA SER 20 HA SER 20 27.834 -2.173 18.243 153 HB2 SER 20 1HB SER 20 28.282 -2.670 15.904 154 HB3 SER 20 2HB SER 20 26.601 -3.176 15.635 155 HG SER 20 HG SER 20 27.398 -0.897 15.069 156 HA PRO 21 HA PRO 21 23.757 -1.273 19.716 157 HB2 PRO 21 1HB PRO 21 23.689 1.458 19.511 158 HB3 PRO 21 2HB PRO 21 24.686 0.609 20.745 159 HG2 PRO 21 1HG PRO 21 25.535 1.663 18.042 160 HG3 PRO 21 2HG PRO 21 26.286 1.928 19.648 161 HD2 PRO 21 1HD PRO 21 27.233 0.086 17.986 162 HD3 PRO 21 2HD PRO 21 27.141 -0.213 19.756 163 H ASP 22 H ASP 22 24.892 -0.598 16.520 164 HA ASP 22 HA ASP 22 22.198 0.160 15.556 165 HB2 ASP 22 1HB ASP 22 24.963 0.086 14.325 166 HB3 ASP 22 2HB ASP 22 23.508 0.347 13.361 167 H GLU 23 H GLU 23 23.721 -2.688 16.336 168 HA GLU 23 HA GLU 23 22.962 -4.086 13.833 169 HB2 GLU 23 1HB GLU 23 25.190 -4.400 14.897 170 HB3 GLU 23 2HB GLU 23 24.396 -5.118 16.294 171 HG2 GLU 23 1HG GLU 23 23.536 -6.930 14.854 172 HG3 GLU 23 2HG GLU 23 24.323 -6.186 13.461 173 H LEU 24 H LEU 24 21.579 -5.908 13.811 174 HA LEU 24 HA LEU 24 19.616 -5.952 16.058 175 HB2 LEU 24 1HB LEU 24 19.568 -7.135 13.282 176 HB3 LEU 24 2HB LEU 24 18.367 -7.525 14.512 177 HG LEU 24 HG LEU 24 18.891 -4.766 13.356 178 HD11 LEU 24 1HD1 LEU 24 16.705 -6.804 12.888 179 HD12 LEU 24 2HD1 LEU 24 17.902 -6.207 11.714 180 HD13 LEU 24 3HD1 LEU 24 16.648 -5.120 12.333 181 HD21 LEU 24 1HD2 LEU 24 16.754 -4.181 14.526 182 HD22 LEU 24 2HD2 LEU 24 18.094 -4.540 15.634 183 HD23 LEU 24 3HD2 LEU 24 16.812 -5.751 15.345 184 H SER 25 H SER 25 19.204 -7.661 17.284 185 HA SER 25 HA SER 25 20.990 -10.013 17.020 186 HB2 SER 25 1HB SER 25 19.776 -10.230 19.468 187 HB3 SER 25 2HB SER 25 21.336 -9.445 19.207 188 HG SER 25 HG SER 25 19.964 -8.053 20.340 189 H PHE 26 H PHE 26 20.071 -11.923 16.651 190 HA PHE 26 HA PHE 26 17.203 -12.380 17.059 191 HB2 PHE 26 1HB PHE 26 16.783 -12.968 14.664 192 HB3 PHE 26 2HB PHE 26 17.016 -11.254 14.970 193 HD1 PHE 26 HD1 PHE 26 18.948 -14.299 13.851 194 HD2 PHE 26 HD2 PHE 26 18.491 -10.022 13.681 195 HE1 PHE 26 HE1 PHE 26 20.671 -14.186 12.058 196 HE2 PHE 26 HE2 PHE 26 20.171 -9.922 11.880 197 HZ PHE 26 HZ PHE 26 21.254 -12.004 11.035 198 H ARG 27 H ARG 27 16.514 -14.578 16.255 199 HA ARG 27 HA ARG 27 18.668 -16.506 16.954 200 HB2 ARG 27 1HB ARG 27 16.415 -16.294 18.190 201 HB3 ARG 27 2HB ARG 27 15.633 -16.857 16.717 202 HG2 ARG 27 1HG ARG 27 15.822 -18.687 18.309 203 HG3 ARG 27 2HG ARG 27 16.869 -19.021 16.916 204 HD2 ARG 27 1HD ARG 27 18.796 -18.173 18.140 205 HD3 ARG 27 2HD ARG 27 17.778 -17.788 19.526 206 HE ARG 27 HE ARG 27 17.468 -20.533 19.037 207 HH11 ARG 27 1HH1 ARG 27 20.146 -18.361 19.858 208 HH12 ARG 27 2HH1 ARG 27 20.988 -19.607 20.746 209 HH21 ARG 27 1HH2 ARG 27 18.638 -22.073 20.119 210 HH22 ARG 27 2HH2 ARG 27 20.147 -21.656 20.899 211 H LYS 28 H LYS 28 18.798 -18.506 15.727 212 HA LYS 28 HA LYS 28 18.700 -18.261 12.880 213 HB2 LYS 28 1HB LYS 28 20.048 -20.004 13.961 214 HB3 LYS 28 2HB LYS 28 18.604 -20.726 14.684 215 HG2 LYS 28 1HG LYS 28 17.767 -21.359 12.481 216 HG3 LYS 28 2HG LYS 28 19.118 -20.540 11.687 217 HD2 LYS 28 1HD LYS 28 20.690 -22.109 12.776 218 HD3 LYS 28 2HD LYS 28 19.324 -22.934 13.559 219 HE2 LYS 28 1HE LYS 28 18.684 -23.980 11.624 220 HE3 LYS 28 2HE LYS 28 19.073 -22.571 10.616 221 HZ1 LYS 28 1HZ LYS 28 21.402 -23.151 10.767 222 HZ2 LYS 28 2HZ LYS 28 20.548 -24.424 10.149 223 HZ3 LYS 28 3HZ LYS 28 21.073 -24.470 11.710 224 H GLY 29 H GLY 29 17.062 -18.468 11.471 225 HA2 GLY 29 1HA GLY 29 15.064 -19.457 10.702 226 HA3 GLY 29 2HA GLY 29 14.574 -19.809 12.356 227 H ASP 30 H ASP 30 15.519 -16.759 12.790 228 HA ASP 30 HA ASP 30 12.862 -15.701 12.786 229 HB2 ASP 30 1HB ASP 30 15.614 -14.654 13.298 230 HB3 ASP 30 2HB ASP 30 14.391 -13.474 12.846 231 H ILE 31 H ILE 31 12.026 -13.932 11.618 232 HA ILE 31 HA ILE 31 13.165 -13.664 8.861 233 HB ILE 31 HB ILE 31 10.239 -13.463 9.727 234 HG12 ILE 31 1HG1 ILE 31 10.909 -15.792 9.672 235 HG13 ILE 31 2HG1 ILE 31 9.890 -15.426 8.288 236 HG21 ILE 31 1HG2 ILE 31 11.599 -13.042 7.009 237 HG22 ILE 31 2HG2 ILE 31 9.839 -13.311 7.191 238 HG23 ILE 31 3HG2 ILE 31 10.606 -11.888 7.934 239 HD11 ILE 31 1HD1 ILE 31 12.114 -15.154 6.958 240 HD12 ILE 31 2HD1 ILE 31 12.831 -16.012 8.345 241 HD13 ILE 31 3HD1 ILE 31 11.543 -16.778 7.389 242 H MET 32 H MET 32 13.757 -11.689 8.301 243 HA MET 32 HA MET 32 12.594 -9.387 9.810 244 HB2 MET 32 1HB MET 32 14.799 -8.293 9.754 245 HB3 MET 32 2HB MET 32 14.783 -9.756 10.725 246 HG2 MET 32 1HG MET 32 15.613 -10.821 8.408 247 HG3 MET 32 2HG MET 32 16.231 -9.171 8.208 248 HE1 MET 32 1HE MET 32 16.333 -12.566 10.033 249 HE2 MET 32 2HE MET 32 17.369 -12.293 11.459 250 HE3 MET 32 3HE MET 32 15.719 -11.637 11.413 251 H THR 33 H THR 33 12.608 -7.428 8.721 252 HA THR 33 HA THR 33 12.172 -7.798 5.808 253 HB THR 33 HB THR 33 11.704 -5.396 7.646 254 HG1 THR 33 HG1 THR 33 9.575 -6.066 7.577 255 HG21 THR 33 1HG2 THR 33 11.975 -4.625 5.377 256 HG22 THR 33 2HG2 THR 33 10.249 -4.614 5.763 257 HG23 THR 33 3HG2 THR 33 10.925 -5.921 4.763 258 H VAL 34 H VAL 34 13.917 -7.532 4.497 259 HA VAL 34 HA VAL 34 16.203 -5.931 5.368 260 HB VAL 34 HB VAL 34 15.693 -7.210 2.676 261 HG11 VAL 34 1HG1 VAL 34 18.184 -7.108 2.501 262 HG12 VAL 34 2HG1 VAL 34 17.425 -5.507 2.545 263 HG13 VAL 34 3HG1 VAL 34 18.221 -6.151 4.002 264 HG21 VAL 34 1HG2 VAL 34 17.241 -8.979 3.595 265 HG22 VAL 34 2HG2 VAL 34 17.000 -8.254 5.195 266 HG23 VAL 34 3HG2 VAL 34 15.622 -8.940 4.302 267 H LEU 35 H LEU 35 16.345 -3.871 5.151 268 HA LEU 35 HA LEU 35 14.470 -2.456 3.370 269 HB2 LEU 35 1HB LEU 35 16.486 -1.483 5.415 270 HB3 LEU 35 2HB LEU 35 15.321 -0.467 4.575 271 HG LEU 35 HG LEU 35 14.589 -2.742 6.443 272 HD11 LEU 35 1HD1 LEU 35 13.910 -0.879 7.941 273 HD12 LEU 35 2HD1 LEU 35 14.732 0.249 6.829 274 HD13 LEU 35 3HD1 LEU 35 15.658 -1.020 7.671 275 HD21 LEU 35 1HD2 LEU 35 12.913 -0.592 5.098 276 HD22 LEU 35 2HD2 LEU 35 12.333 -1.680 6.385 277 HD23 LEU 35 3HD2 LEU 35 12.833 -2.351 4.818 278 H GLU 36 H GLU 36 18.019 -2.737 3.994 279 HA GLU 36 HA GLU 36 18.384 -2.543 1.099 280 HB2 GLU 36 1HB GLU 36 19.702 -0.620 0.975 281 HB3 GLU 36 2HB GLU 36 18.305 -0.164 1.918 282 HG2 GLU 36 1HG GLU 36 19.727 -0.532 3.931 283 HG3 GLU 36 2HG GLU 36 21.088 -0.570 2.818 284 H ARG 37 H ARG 37 20.843 -2.728 0.595 285 HA ARG 37 HA ARG 37 22.112 -4.438 2.692 286 HB2 ARG 37 1HB ARG 37 22.121 -4.825 -0.317 287 HB3 ARG 37 2HB ARG 37 23.036 -5.792 0.848 288 HG2 ARG 37 1HG ARG 37 20.852 -6.436 1.912 289 HG3 ARG 37 2HG ARG 37 20.028 -5.643 0.573 290 HD2 ARG 37 1HD ARG 37 22.040 -7.869 0.281 291 HD3 ARG 37 2HD ARG 37 20.290 -8.095 0.253 292 HE ARG 37 HE ARG 37 21.983 -6.805 -1.810 293 HH11 ARG 37 1HH1 ARG 37 18.723 -7.750 -0.815 294 HH12 ARG 37 2HH1 ARG 37 18.074 -7.540 -2.421 295 HH21 ARG 37 1HH2 ARG 37 21.079 -6.523 -3.819 296 HH22 ARG 37 2HH2 ARG 37 19.388 -6.856 -4.089 297 H ASP 38 H ASP 38 24.383 -4.262 2.764 298 HA ASP 38 HA ASP 38 26.319 -3.143 2.779 299 HB2 ASP 38 1HB ASP 38 25.643 -2.347 -0.056 300 HB3 ASP 38 2HB ASP 38 27.252 -2.478 0.671 301 H THR 39 H THR 39 24.146 -2.042 3.898 302 HA THR 39 HA THR 39 23.535 0.660 3.210 303 HB THR 39 HB THR 39 22.038 -0.680 4.588 304 HG1 THR 39 HG1 THR 39 21.736 1.402 5.087 305 HG21 THR 39 1HG2 THR 39 23.477 -2.128 5.746 306 HG22 THR 39 2HG2 THR 39 22.582 -1.171 6.930 307 HG23 THR 39 3HG2 THR 39 24.278 -0.773 6.588 308 H GLN 40 H GLN 40 24.199 2.583 4.070 309 HA GLN 40 HA GLN 40 25.699 4.122 4.771 310 HB2 GLN 40 1HB GLN 40 26.676 2.277 6.927 311 HB3 GLN 40 2HB GLN 40 26.517 4.029 6.962 312 HG2 GLN 40 1HG GLN 40 23.992 3.623 6.781 313 HG3 GLN 40 2HG GLN 40 24.353 1.940 7.167 314 HE21 GLN 40 1HE2 GLN 40 24.622 2.496 10.581 315 HE22 GLN 40 2HE2 GLN 40 24.509 1.371 9.252 316 H GLY 41 H GLY 41 26.670 1.664 3.051 317 HA2 GLY 41 1HA GLY 41 28.644 1.424 1.825 318 HA3 GLY 41 2HA GLY 41 29.450 2.604 2.878 319 H LEU 42 H LEU 42 27.697 0.183 4.589 320 HA LEU 42 HA LEU 42 30.245 -0.993 5.493 321 HB2 LEU 42 1HB LEU 42 27.370 -1.459 6.328 322 HB3 LEU 42 2HB LEU 42 28.792 -2.078 7.159 323 HG LEU 42 HG LEU 42 28.202 0.874 6.844 324 HD11 LEU 42 1HD1 LEU 42 27.403 0.766 9.183 325 HD12 LEU 42 2HD1 LEU 42 27.549 -1.009 9.138 326 HD13 LEU 42 3HD1 LEU 42 26.382 -0.173 8.072 327 HD21 LEU 42 1HD2 LEU 42 30.035 -0.697 8.660 328 HD22 LEU 42 2HD2 LEU 42 29.737 1.054 8.746 329 HD23 LEU 42 3HD2 LEU 42 30.508 0.362 7.307 330 H ASP 43 H ASP 43 30.946 -2.287 3.808 331 HA ASP 43 HA ASP 43 29.311 -3.857 2.131 332 HB2 ASP 43 1HB ASP 43 32.202 -4.083 2.994 333 HB3 ASP 43 2HB ASP 43 31.465 -5.321 1.967 334 H GLY 44 H GLY 44 28.203 -5.667 2.343 335 HA2 GLY 44 1HA GLY 44 27.785 -7.852 3.104 336 HA3 GLY 44 2HA GLY 44 29.079 -7.681 4.304 337 H TRP 45 H TRP 45 27.523 -4.958 5.017 338 HA TRP 45 HA TRP 45 25.832 -6.309 7.038 339 HB2 TRP 45 1HB TRP 45 26.894 -3.520 6.591 340 HB3 TRP 45 2HB TRP 45 25.702 -3.866 7.818 341 HD1 TRP 45 HD1 TRP 45 29.409 -4.038 7.184 342 HE1 TRP 45 HE1 TRP 45 30.655 -5.009 9.173 343 HE3 TRP 45 HE3 TRP 45 25.346 -5.802 9.705 344 HZ2 TRP 45 HZ2 TRP 45 29.945 -6.428 11.572 345 HZ3 TRP 45 HZ3 TRP 45 25.682 -6.969 11.869 346 HH2 TRP 45 HH2 TRP 45 27.954 -7.283 12.782 347 H TRP 46 H TRP 46 23.673 -6.361 6.902 348 HA TRP 46 HA TRP 46 22.420 -4.757 4.697 349 HB2 TRP 46 1HB TRP 46 21.620 -7.434 5.889 350 HB3 TRP 46 2HB TRP 46 20.719 -6.563 4.645 351 HD1 TRP 46 HD1 TRP 46 24.152 -6.024 3.607 352 HE1 TRP 46 HE1 TRP 46 24.993 -7.672 1.874 353 HE3 TRP 46 HE3 TRP 46 20.498 -9.555 4.187 354 HZ2 TRP 46 HZ2 TRP 46 24.210 -10.244 0.892 355 HZ3 TRP 46 HZ3 TRP 46 20.623 -11.647 2.842 356 HH2 TRP 46 HH2 TRP 46 22.442 -11.975 1.183 357 H LEU 47 H LEU 47 20.926 -3.289 5.233 358 HA LEU 47 HA LEU 47 20.230 -2.895 8.049 359 HB2 LEU 47 1HB LEU 47 20.541 -1.005 6.458 360 HB3 LEU 47 2HB LEU 47 19.207 -1.608 5.491 361 HG LEU 47 HG LEU 47 17.657 -1.122 7.298 362 HD11 LEU 47 1HD1 LEU 47 20.095 -0.150 8.805 363 HD12 LEU 47 2HD1 LEU 47 18.985 -1.464 9.268 364 HD13 LEU 47 3HD1 LEU 47 18.413 0.207 9.266 365 HD21 LEU 47 1HD2 LEU 47 17.790 1.326 7.210 366 HD22 LEU 47 2HD2 LEU 47 18.180 0.621 5.640 367 HD23 LEU 47 3HD2 LEU 47 19.486 1.223 6.675 368 H CYS 48 H CYS 48 18.666 -4.029 9.016 369 HA CYS 48 HA CYS 48 16.281 -4.730 7.370 370 HB2 CYS 48 1HB CYS 48 17.454 -6.580 9.474 371 HB3 CYS 48 2HB CYS 48 16.184 -6.933 8.309 372 HG CYS 48 HG CYS 48 19.379 -6.272 7.737 373 H SER 49 H SER 49 14.463 -5.455 8.806 374 HA SER 49 HA SER 49 14.506 -3.969 11.386 375 HB2 SER 49 1HB SER 49 12.838 -2.629 10.770 376 HB3 SER 49 2HB SER 49 13.148 -3.135 9.119 377 HG SER 49 HG SER 49 10.951 -3.394 9.763 378 H LEU 50 H LEU 50 13.851 -5.133 13.064 379 HA LEU 50 HA LEU 50 12.188 -7.575 12.644 380 HB2 LEU 50 1HB LEU 50 14.589 -8.269 12.526 381 HB3 LEU 50 2HB LEU 50 14.868 -7.498 14.089 382 HG LEU 50 HG LEU 50 12.686 -9.272 14.456 383 HD11 LEU 50 1HD1 LEU 50 13.530 -11.383 13.790 384 HD12 LEU 50 2HD1 LEU 50 14.994 -10.634 13.098 385 HD13 LEU 50 3HD1 LEU 50 13.394 -10.322 12.365 386 HD21 LEU 50 1HD2 LEU 50 14.267 -10.405 15.985 387 HD22 LEU 50 2HD2 LEU 50 14.340 -8.635 16.150 388 HD23 LEU 50 3HD2 LEU 50 15.615 -9.497 15.253 389 H HIS 51 H HIS 51 10.763 -7.767 14.319 390 HA HIS 51 HA HIS 51 9.529 -7.166 16.152 391 HB2 HIS 51 1HB HIS 51 12.268 -6.704 17.400 392 HB3 HIS 51 2HB HIS 51 10.741 -6.789 18.288 393 HD1 HIS 51 HD1 HIS 51 12.811 -8.801 19.115 394 HD2 HIS 51 HD2 HIS 51 10.110 -9.507 16.021 395 HE1 HIS 51 HE1 HIS 51 12.597 -11.313 18.869 396 H GLY 52 H GLY 52 10.237 -5.023 14.184 397 HA2 GLY 52 1HA GLY 52 9.584 -2.811 14.023 398 HA3 GLY 52 2HA GLY 52 9.223 -2.797 15.750 399 H ARG 53 H ARG 53 12.393 -3.924 15.194 400 HA ARG 53 HA ARG 53 13.493 -1.213 15.811 401 HB2 ARG 53 1HB ARG 53 13.616 -3.437 17.367 402 HB3 ARG 53 2HB ARG 53 15.006 -3.753 16.342 403 HG2 ARG 53 1HG ARG 53 14.684 -1.127 17.831 404 HG3 ARG 53 2HG ARG 53 15.378 -2.570 18.593 405 HD2 ARG 53 1HD ARG 53 17.036 -2.670 16.699 406 HD3 ARG 53 2HD ARG 53 16.456 -1.073 16.196 407 HE ARG 53 HE ARG 53 17.083 -0.944 18.943 408 HH11 ARG 53 1HH1 ARG 53 18.842 -1.311 15.883 409 HH12 ARG 53 2HH1 ARG 53 20.323 -0.690 16.582 410 HH21 ARG 53 1HH2 ARG 53 18.995 -0.138 19.701 411 HH22 ARG 53 2HH2 ARG 53 20.394 -0.034 18.655 412 H GLN 54 H GLN 54 15.108 -0.514 14.459 413 HA GLN 54 HA GLN 54 15.640 -2.202 12.061 414 HB2 GLN 54 1HB GLN 54 15.213 0.644 12.566 415 HB3 GLN 54 2HB GLN 54 16.713 0.346 11.675 416 HG2 GLN 54 1HG GLN 54 15.467 -0.902 10.004 417 HG3 GLN 54 2HG GLN 54 13.971 -0.664 10.912 418 HE21 GLN 54 1HE2 GLN 54 15.623 2.717 9.243 419 HE22 GLN 54 2HE2 GLN 54 16.655 1.546 10.029 420 H GLY 55 H GLY 55 17.774 -2.582 11.356 421 HA2 GLY 55 1HA GLY 55 20.024 -1.269 12.461 422 HA3 GLY 55 2HA GLY 55 19.768 -2.744 13.380 423 H ILE 56 H ILE 56 22.125 -2.531 12.134 424 HA ILE 56 HA ILE 56 21.980 -3.712 9.446 425 HB ILE 56 HB ILE 56 24.445 -3.702 9.489 426 HG12 ILE 56 1HG1 ILE 56 24.147 -2.747 12.371 427 HG13 ILE 56 2HG1 ILE 56 24.712 -4.340 11.886 428 HG21 ILE 56 1HG2 ILE 56 23.078 -1.583 9.044 429 HG22 ILE 56 2HG2 ILE 56 23.454 -1.090 10.706 430 HG23 ILE 56 3HG2 ILE 56 24.769 -1.321 9.528 431 HD11 ILE 56 1HD1 ILE 56 26.627 -3.140 10.683 432 HD12 ILE 56 2HD1 ILE 56 26.102 -1.676 11.557 433 HD13 ILE 56 3HD1 ILE 56 26.631 -3.112 12.459 434 H VAL 57 H VAL 57 22.928 -5.739 8.921 435 HA VAL 57 HA VAL 57 23.013 -7.754 11.118 436 HB VAL 57 HB VAL 57 21.393 -7.926 8.574 437 HG11 VAL 57 1HG1 VAL 57 20.599 -10.100 9.444 438 HG12 VAL 57 2HG1 VAL 57 22.283 -10.064 8.891 439 HG13 VAL 57 3HG1 VAL 57 21.909 -10.010 10.628 440 HG21 VAL 57 1HG2 VAL 57 20.546 -7.772 11.467 441 HG22 VAL 57 2HG2 VAL 57 20.196 -6.603 10.185 442 HG23 VAL 57 3HG2 VAL 57 19.441 -8.207 10.137 443 HA PRO 58 HA PRO 58 26.410 -8.927 8.414 444 HB2 PRO 58 1HB PRO 58 27.013 -11.395 9.437 445 HB3 PRO 58 2HB PRO 58 27.403 -9.880 10.308 446 HG2 PRO 58 1HG PRO 58 25.057 -11.712 10.684 447 HG3 PRO 58 2HG PRO 58 26.155 -11.015 11.909 448 HD2 PRO 58 1HD PRO 58 23.727 -9.938 11.340 449 HD3 PRO 58 2HD PRO 58 25.122 -8.937 11.810 450 H GLY 59 H GLY 59 25.678 -9.268 6.352 451 HA2 GLY 59 1HA GLY 59 23.494 -10.888 5.637 452 HA3 GLY 59 2HA GLY 59 24.775 -10.344 4.548 453 H ASN 60 H ASN 60 26.779 -11.878 6.282 454 HA ASN 60 HA ASN 60 26.784 -14.304 4.760 455 HB2 ASN 60 1HB ASN 60 28.642 -12.971 6.223 456 HB3 ASN 60 2HB ASN 60 28.244 -14.277 7.346 457 HD21 ASN 60 1HD2 ASN 60 29.299 -16.769 4.833 458 HD22 ASN 60 2HD2 ASN 60 27.847 -16.429 5.768 459 H ARG 61 H ARG 61 25.028 -13.429 7.610 460 HA ARG 61 HA ARG 61 24.507 -16.316 8.209 461 HB2 ARG 61 1HB ARG 61 24.126 -13.869 9.960 462 HB3 ARG 61 2HB ARG 61 23.733 -15.525 10.420 463 HG2 ARG 61 1HG ARG 61 26.134 -16.130 10.178 464 HG3 ARG 61 2HG ARG 61 26.504 -14.426 9.844 465 HD2 ARG 61 1HD ARG 61 25.552 -13.799 12.046 466 HD3 ARG 61 2HD ARG 61 25.197 -15.505 12.366 467 HE ARG 61 HE ARG 61 27.974 -15.235 11.729 468 HH11 ARG 61 1HH1 ARG 61 25.737 -14.541 14.377 469 HH12 ARG 61 2HH1 ARG 61 27.015 -14.584 15.565 470 HH21 ARG 61 1HH2 ARG 61 29.501 -15.333 13.281 471 HH22 ARG 61 2HH2 ARG 61 29.108 -15.048 14.963 472 H LEU 62 H LEU 62 23.310 -14.074 6.268 473 HA LEU 62 HA LEU 62 20.486 -14.627 7.061 474 HB2 LEU 62 1HB LEU 62 21.618 -12.208 7.206 475 HB3 LEU 62 2HB LEU 62 21.207 -12.192 5.496 476 HG LEU 62 HG LEU 62 18.857 -12.657 6.081 477 HD11 LEU 62 1HD1 LEU 62 19.095 -13.727 8.194 478 HD12 LEU 62 2HD1 LEU 62 18.064 -12.313 8.325 479 HD13 LEU 62 3HD1 LEU 62 19.743 -12.238 8.918 480 HD21 LEU 62 1HD2 LEU 62 18.426 -10.375 7.101 481 HD22 LEU 62 2HD2 LEU 62 19.417 -10.415 5.632 482 HD23 LEU 62 3HD2 LEU 62 20.195 -10.209 7.216 483 H LYS 63 H LYS 63 18.990 -15.068 5.519 484 HA LYS 63 HA LYS 63 20.059 -15.362 2.733 485 HB2 LYS 63 1HB LYS 63 19.767 -17.543 3.793 486 HB3 LYS 63 2HB LYS 63 18.106 -17.160 4.218 487 HG2 LYS 63 1HG LYS 63 17.377 -17.287 1.982 488 HG3 LYS 63 2HG LYS 63 19.007 -17.114 1.327 489 HD2 LYS 63 1HD LYS 63 18.194 -19.522 2.987 490 HD3 LYS 63 2HD LYS 63 17.957 -19.449 1.223 491 HE2 LYS 63 1HE LYS 63 20.347 -18.966 0.925 492 HE3 LYS 63 2HE LYS 63 20.596 -19.064 2.671 493 HZ1 LYS 63 1HZ LYS 63 21.226 -21.111 1.559 494 HZ2 LYS 63 2HZ LYS 63 19.704 -21.305 0.957 495 HZ3 LYS 63 3HZ LYS 63 19.964 -21.386 2.589 496 H ILE 64 H ILE 64 19.137 -14.068 1.381 497 HA ILE 64 HA ILE 64 16.625 -12.744 1.916 498 HB ILE 64 HB ILE 64 18.121 -13.132 -0.721 499 HG12 ILE 64 1HG1 ILE 64 19.578 -12.061 0.909 500 HG13 ILE 64 2HG1 ILE 64 19.084 -10.923 -0.319 501 HG21 ILE 64 1HG2 ILE 64 16.914 -10.961 -1.298 502 HG22 ILE 64 2HG2 ILE 64 15.890 -12.408 -1.199 503 HG23 ILE 64 3HG2 ILE 64 15.910 -11.254 0.138 504 HD11 ILE 64 1HD1 ILE 64 17.316 -10.053 1.364 505 HD12 ILE 64 2HD1 ILE 64 18.166 -11.046 2.578 506 HD13 ILE 64 3HD1 ILE 64 19.016 -9.732 1.752 507 H LEU 65 H LEU 65 14.624 -13.544 1.616 508 HA LEU 65 HA LEU 65 14.404 -16.213 0.339 509 HB2 LEU 65 1HB LEU 65 12.347 -14.558 1.826 510 HB3 LEU 65 2HB LEU 65 12.165 -16.231 1.307 511 HG LEU 65 HG LEU 65 14.121 -15.196 3.392 512 HD11 LEU 65 1HD1 LEU 65 11.749 -15.180 4.071 513 HD12 LEU 65 2HD1 LEU 65 12.678 -16.371 4.978 514 HD13 LEU 65 3HD1 LEU 65 11.615 -16.908 3.652 515 HD21 LEU 65 1HD2 LEU 65 14.525 -17.654 3.865 516 HD22 LEU 65 2HD2 LEU 65 15.156 -17.123 2.297 517 HD23 LEU 65 3HD2 LEU 65 13.632 -18.043 2.382 518 H VAL 66 H VAL 66 15.033 -15.096 -1.691 519 HA VAL 66 HA VAL 66 13.415 -13.085 -2.869 520 HB VAL 66 HB VAL 66 14.587 -14.657 -4.974 521 HG11 VAL 66 1HG1 VAL 66 16.022 -12.694 -5.243 522 HG12 VAL 66 2HG1 VAL 66 14.343 -12.217 -4.931 523 HG13 VAL 66 3HG1 VAL 66 15.552 -12.114 -3.628 524 HG21 VAL 66 1HG2 VAL 66 16.525 -14.270 -2.636 525 HG22 VAL 66 2HG2 VAL 66 15.940 -15.841 -3.261 526 HG23 VAL 66 3HG2 VAL 66 16.947 -14.794 -4.273 527 H GLY 67 H GLY 67 12.948 -16.572 -2.892 528 HA2 GLY 67 1HA GLY 67 11.139 -17.772 -3.688 529 HA3 GLY 67 2HA GLY 67 10.377 -16.250 -4.183 530 H MET 68 H MET 68 13.420 -16.300 -5.522 531 HA MET 68 HA MET 68 12.276 -16.841 -8.162 532 HB2 MET 68 1HB MET 68 15.007 -15.881 -7.263 533 HB3 MET 68 2HB MET 68 14.499 -16.005 -8.939 534 HG2 MET 68 1HG MET 68 13.201 -14.234 -6.844 535 HG3 MET 68 2HG MET 68 14.344 -13.694 -8.087 536 HE1 MET 68 1HE MET 68 13.458 -15.220 -10.765 537 HE2 MET 68 2HE MET 68 12.332 -13.992 -11.397 538 HE3 MET 68 3HE MET 68 13.844 -13.486 -10.601 539 H TYR 69 H TYR 69 13.887 -18.780 -5.891 540 HA TYR 69 HA TYR 69 14.685 -20.689 -8.025 541 HB2 TYR 69 1HB TYR 69 16.507 -19.813 -5.753 542 HB3 TYR 69 2HB TYR 69 16.850 -21.092 -6.930 543 HD1 TYR 69 HD1 TYR 69 17.028 -20.446 -9.429 544 HD2 TYR 69 HD2 TYR 69 17.040 -17.525 -6.267 545 HE1 TYR 69 HE1 TYR 69 18.013 -18.759 -10.989 546 HE2 TYR 69 HE2 TYR 69 18.035 -15.844 -7.833 547 HH TYR 69 HH TYR 69 18.740 -15.423 -9.953 548 H ASP 70 H ASP 70 14.221 -22.748 -7.511 549 HA ASP 70 HA ASP 70 13.245 -23.280 -4.741 550 HB2 ASP 70 1HB ASP 70 12.283 -24.235 -7.454 551 HB3 ASP 70 2HB ASP 70 11.699 -24.894 -5.921 552 H LYS 71 H LYS 71 12.863 -25.688 -4.443 553 HA LYS 71 HA LYS 71 13.678 -27.771 -4.061 554 HB2 LYS 71 1HB LYS 71 14.566 -27.522 -6.940 555 HB3 LYS 71 2HB LYS 71 14.399 -29.031 -6.039 556 HG2 LYS 71 1HG LYS 71 11.972 -28.452 -5.654 557 HG3 LYS 71 2HG LYS 71 12.184 -27.077 -6.742 558 HD2 LYS 71 1HD LYS 71 12.823 -28.606 -8.564 559 HD3 LYS 71 2HD LYS 71 12.596 -29.990 -7.474 560 HE2 LYS 71 1HE LYS 71 10.223 -29.346 -7.152 561 HE3 LYS 71 2HE LYS 71 10.443 -27.968 -8.247 562 HZ1 LYS 71 1HZ LYS 71 10.920 -29.541 -10.028 563 HZ2 LYS 71 2HZ LYS 71 9.445 -29.873 -9.374 564 HZ3 LYS 71 3HZ LYS 71 10.734 -30.829 -9.006 565 H LYS 72 H LYS 72 15.451 -25.922 -3.009 566 HA LYS 72 HA LYS 72 17.953 -27.565 -3.175 567 HB2 LYS 72 1HB LYS 72 17.669 -24.593 -2.554 568 HB3 LYS 72 2HB LYS 72 19.144 -25.533 -2.303 569 HG2 LYS 72 1HG LYS 72 19.197 -26.068 -4.723 570 HG3 LYS 72 2HG LYS 72 17.768 -25.041 -4.966 571 HD2 LYS 72 1HD LYS 72 19.023 -23.089 -4.122 572 HD3 LYS 72 2HD LYS 72 20.442 -24.111 -3.816 573 HE2 LYS 72 1HE LYS 72 20.766 -22.913 -5.910 574 HE3 LYS 72 2HE LYS 72 20.580 -24.650 -6.236 575 HZ1 LYS 72 1HZ LYS 72 18.277 -24.236 -6.857 576 HZ2 LYS 72 2HZ LYS 72 19.279 -23.305 -7.782 577 HZ3 LYS 72 3HZ LYS 72 18.427 -22.623 -6.545 578 HA PRO 73 HA PRO 73 16.655 -28.429 0.908 579 HB2 PRO 73 1HB PRO 73 18.970 -28.964 2.271 580 HB3 PRO 73 2HB PRO 73 18.313 -30.062 1.011 581 HG2 PRO 73 1HG PRO 73 20.449 -27.960 0.762 582 HG3 PRO 73 2HG PRO 73 20.480 -29.671 0.222 583 HD2 PRO 73 1HD PRO 73 19.905 -27.648 -1.480 584 HD3 PRO 73 2HD PRO 73 19.075 -29.238 -1.595 585 H ALA 74 H ALA 74 16.410 -27.474 2.980 586 HA ALA 74 HA ALA 74 17.932 -25.032 3.572 587 HB1 ALA 74 1HB ALA 74 15.932 -23.579 3.594 588 HB2 ALA 74 2HB ALA 74 16.217 -24.249 1.972 589 HB3 ALA 74 3HB ALA 74 14.934 -24.924 3.005 590 H GLY 75 H GLY 75 15.460 -27.383 4.608 591 HA2 GLY 75 1HA GLY 75 15.349 -26.122 7.276 592 HA3 GLY 75 2HA GLY 75 14.418 -27.539 6.716 593 H SER 76 H SER 76 16.432 -26.808 9.056 594 HA SER 76 HA SER 76 18.297 -29.104 8.722 595 HB2 SER 76 1HB SER 76 18.158 -27.037 10.943 596 HB3 SER 76 2HB SER 76 19.488 -28.160 10.602 597 HG SER 76 HG SER 76 20.012 -27.003 8.815 598 H GLY 77 H GLY 77 15.291 -28.303 10.233 599 HA2 GLY 77 1HA GLY 77 14.559 -30.666 11.288 600 HA3 GLY 77 2HA GLY 77 15.694 -30.083 12.525 601 H GLY 78 H GLY 78 14.138 -29.734 14.128 602 HA2 GLY 78 1HA GLY 78 11.728 -28.229 13.635 603 HA3 GLY 78 2HA GLY 78 12.414 -28.656 15.211 604 H SER 79 H SER 79 11.229 -26.334 15.198 605 HA SER 79 HA SER 79 13.184 -24.200 14.533 606 HB2 SER 79 1HB SER 79 10.328 -24.077 15.620 607 HB3 SER 79 2HB SER 79 11.316 -22.692 15.108 608 HG SER 79 HG SER 79 10.563 -24.874 13.446 609 H GLY 80 H GLY 80 13.899 -22.689 16.138 610 HA2 GLY 80 1HA GLY 80 14.299 -21.898 18.282 611 HA3 GLY 80 2HA GLY 80 13.165 -23.090 18.920 612 H SER 81 H SER 81 15.502 -24.593 16.968 613 HA SER 81 HA SER 81 16.539 -26.148 19.051 614 HB2 SER 81 1HB SER 81 17.868 -25.503 16.393 615 HB3 SER 81 2HB SER 81 18.131 -26.951 17.396 616 HG SER 81 HG SER 81 16.599 -27.163 15.598 617 H GLY 82 H GLY 82 18.539 -26.301 20.065 618 HA2 GLY 82 1HA GLY 82 20.426 -24.039 19.874 619 HA3 GLY 82 2HA GLY 82 19.593 -24.272 21.428 620 H LEU 83 H LEU 83 20.907 -26.531 19.006 621 HA LEU 83 HA LEU 83 22.197 -28.071 21.181 622 HB2 LEU 83 1HB LEU 83 21.082 -28.618 18.496 623 HB3 LEU 83 2HB LEU 83 22.590 -29.465 18.825 624 HG LEU 83 HG LEU 83 20.160 -29.580 20.633 625 HD11 LEU 83 1HD1 LEU 83 19.774 -31.814 19.677 626 HD12 LEU 83 2HD1 LEU 83 21.145 -31.580 18.569 627 HD13 LEU 83 3HD1 LEU 83 19.689 -30.565 18.420 628 HD21 LEU 83 1HD2 LEU 83 22.240 -30.106 21.836 629 HD22 LEU 83 2HD2 LEU 83 22.709 -31.247 20.557 630 HD23 LEU 83 3HD2 LEU 83 21.303 -31.582 21.583 631 H THR 84 H THR 84 24.273 -29.249 19.999 632 HA THR 84 HA THR 84 26.293 -27.178 19.810 633 HB THR 84 HB THR 84 27.768 -29.234 19.373 634 HG1 THR 84 HG1 THR 84 26.473 -30.726 18.478 635 HG21 THR 84 1HG2 THR 84 27.506 -30.202 21.614 636 HG22 THR 84 2HG2 THR 84 25.883 -29.489 21.776 637 HG23 THR 84 3HG2 THR 84 27.324 -28.435 21.701 638 H ASP 85 H ASP 85 27.990 -27.719 17.995 639 HA ASP 85 HA ASP 85 28.615 -27.623 15.835 640 HB2 ASP 85 1HB ASP 85 26.158 -29.279 15.229 641 HB3 ASP 85 2HB ASP 85 27.646 -29.178 14.284 642 H GLU 86 H GLU 86 26.995 -27.591 13.433 643 HA GLU 86 HA GLU 86 26.321 -25.946 11.974 644 HB2 GLU 86 1HB GLU 86 24.331 -25.408 14.212 645 HB3 GLU 86 2HB GLU 86 24.194 -24.862 12.528 646 HG2 GLU 86 1HG GLU 86 24.244 -27.270 11.807 647 HG3 GLU 86 2HG GLU 86 24.182 -27.733 13.516 648 H LEU 87 H LEU 87 28.550 -25.167 13.365 649 HA LEU 87 HA LEU 87 28.367 -22.729 14.763 650 HB2 LEU 87 1HB LEU 87 30.664 -23.821 13.118 651 HB3 LEU 87 2HB LEU 87 30.788 -22.475 14.245 652 HG LEU 87 HG LEU 87 30.064 -25.329 15.019 653 HD11 LEU 87 1HD1 LEU 87 32.662 -23.765 15.351 654 HD12 LEU 87 2HD1 LEU 87 32.389 -25.105 14.225 655 HD13 LEU 87 3HD1 LEU 87 32.343 -25.405 15.965 656 HD21 LEU 87 1HD2 LEU 87 30.654 -22.857 16.707 657 HD22 LEU 87 2HD2 LEU 87 30.521 -24.516 17.338 658 HD23 LEU 87 3HD2 LEU 87 29.108 -23.741 16.598 659 H ALA 88 H ALA 88 28.321 -20.665 14.253 660 HA ALA 88 HA ALA 88 27.465 -20.051 11.578 661 HB1 ALA 88 1HB ALA 88 26.958 -17.848 12.501 662 HB2 ALA 88 2HB ALA 88 26.464 -19.084 13.675 663 HB3 ALA 88 3HB ALA 88 27.964 -18.164 13.934 664 HA PRO 89 HA PRO 89 31.339 -18.484 10.067 665 HB2 PRO 89 1HB PRO 89 30.511 -16.753 8.129 666 HB3 PRO 89 2HB PRO 89 30.325 -18.529 7.970 667 HG2 PRO 89 1HG PRO 89 28.313 -16.486 8.890 668 HG3 PRO 89 2HG PRO 89 28.146 -17.760 7.636 669 HD2 PRO 89 1HD PRO 89 27.249 -18.119 10.149 670 HD3 PRO 89 2HD PRO 89 27.976 -19.462 9.206 671 HA PRO 90 HA PRO 90 32.031 -14.713 12.212 672 HB2 PRO 90 1HB PRO 90 34.047 -13.460 10.871 673 HB3 PRO 90 2HB PRO 90 34.291 -15.019 11.737 674 HG2 PRO 90 1HG PRO 90 33.745 -14.553 8.814 675 HG3 PRO 90 2HG PRO 90 35.050 -15.518 9.578 676 HD2 PRO 90 1HD PRO 90 32.774 -16.662 8.673 677 HD3 PRO 90 2HD PRO 90 33.575 -17.251 10.167 678 H LYS 91 H LYS 91 31.906 -12.334 12.145 679 HA LYS 91 HA LYS 91 29.876 -11.403 10.243 680 HB2 LYS 91 1HB LYS 91 31.393 -10.036 12.508 681 HB3 LYS 91 2HB LYS 91 30.078 -9.298 11.592 682 HG2 LYS 91 1HG LYS 91 28.525 -11.023 12.411 683 HG3 LYS 91 2HG LYS 91 29.840 -11.745 13.363 684 HD2 LYS 91 1HD LYS 91 30.118 -9.650 14.602 685 HD3 LYS 91 2HD LYS 91 28.854 -8.892 13.624 686 HE2 LYS 91 1HE LYS 91 27.234 -10.567 14.456 687 HE3 LYS 91 2HE LYS 91 28.499 -11.235 15.516 688 HZ1 LYS 91 1HZ LYS 91 27.134 -9.620 16.680 689 HZ2 LYS 91 2HZ LYS 91 27.480 -8.453 15.576 690 HZ3 LYS 91 3HZ LYS 91 28.688 -9.055 16.541 691 HA PRO 92 HA PRO 92 32.954 -9.294 7.733 692 HB2 PRO 92 1HB PRO 92 31.483 -7.197 6.754 693 HB3 PRO 92 2HB PRO 92 31.298 -8.867 6.149 694 HG2 PRO 92 1HG PRO 92 29.651 -7.371 8.097 695 HG3 PRO 92 2HG PRO 92 29.140 -8.410 6.755 696 HD2 PRO 92 1HD PRO 92 29.199 -9.199 9.360 697 HD3 PRO 92 2HD PRO 92 29.446 -10.329 7.981 698 HA PRO 93 HA PRO 93 34.386 -6.305 10.586 699 HB2 PRO 93 1HB PRO 93 35.950 -4.590 9.167 700 HB3 PRO 93 2HB PRO 93 36.371 -6.326 9.346 701 HG2 PRO 93 1HG PRO 93 34.928 -4.944 7.106 702 HG3 PRO 93 2HG PRO 93 36.367 -6.007 7.028 703 HD2 PRO 93 1HD PRO 93 33.877 -6.945 6.568 704 HD3 PRO 93 2HD PRO 93 35.094 -7.944 7.445 705 H LEU 94 H LEU 94 34.597 -3.926 11.142 706 HA LEU 94 HA LEU 94 32.480 -2.260 9.884 707 HB2 LEU 94 1HB LEU 94 32.812 -3.001 12.805 708 HB3 LEU 94 2HB LEU 94 32.140 -1.442 12.358 709 HG LEU 94 HG LEU 94 30.933 -4.132 11.643 710 HD11 LEU 94 1HD1 LEU 94 30.000 -1.918 13.494 711 HD12 LEU 94 2HD1 LEU 94 30.720 -3.466 14.003 712 HD13 LEU 94 3HD1 LEU 94 29.149 -3.450 13.168 713 HD21 LEU 94 1HD2 LEU 94 29.934 -1.301 11.094 714 HD22 LEU 94 2HD2 LEU 94 28.990 -2.786 10.881 715 HD23 LEU 94 3HD2 LEU 94 30.416 -2.519 9.882 716 HA PRO 95 HA PRO 95 35.641 0.816 10.080 717 HB2 PRO 95 1HB PRO 95 34.213 3.129 10.130 718 HB3 PRO 95 2HB PRO 95 34.126 2.020 8.727 719 HG2 PRO 95 1HG PRO 95 32.283 2.218 11.086 720 HG3 PRO 95 2HG PRO 95 31.883 2.280 9.338 721 HD2 PRO 95 1HD PRO 95 31.676 -0.013 10.747 722 HD3 PRO 95 2HD PRO 95 32.261 -0.018 9.059 723 H GLU 96 H GLU 96 36.066 3.040 11.299 724 HA GLU 96 HA GLU 96 36.746 4.075 13.151 725 HB2 GLU 96 1HB GLU 96 34.082 3.868 13.396 726 HB3 GLU 96 2HB GLU 96 34.583 2.993 14.831 727 HG2 GLU 96 1HG GLU 96 36.112 5.450 14.631 728 HG3 GLU 96 2HG GLU 96 34.401 5.822 14.398 729 H GLY 97 H GLY 97 37.190 1.025 12.750 730 HA2 GLY 97 1HA GLY 97 38.059 0.236 15.431 731 HA3 GLY 97 2HA GLY 97 38.316 -0.667 13.925 732 H GLU 98 H GLU 98 40.327 -0.312 15.878 733 HA GLU 98 HA GLU 98 42.205 1.593 14.540 734 HB2 GLU 98 1HB GLU 98 41.456 1.235 17.297 735 HB3 GLU 98 2HB GLU 98 43.149 0.771 17.107 736 HG2 GLU 98 1HG GLU 98 42.094 3.385 16.007 737 HG3 GLU 98 2HG GLU 98 42.610 3.223 17.693 738 H VAL 99 H VAL 99 44.497 0.954 14.601 739 HA VAL 99 HA VAL 99 44.721 -1.778 13.656 740 HB VAL 99 HB VAL 99 45.959 0.042 12.590 741 HG11 VAL 99 1HG1 VAL 99 48.001 1.026 13.564 742 HG12 VAL 99 2HG1 VAL 99 46.616 1.402 14.584 743 HG13 VAL 99 3HG1 VAL 99 47.750 0.142 15.080 744 HG21 VAL 99 1HG2 VAL 99 46.739 -2.315 12.315 745 HG22 VAL 99 2HG2 VAL 99 48.109 -1.202 12.290 746 HG23 VAL 99 3HG2 VAL 99 47.777 -2.151 13.747 747 HXT VAL 99 H02 VAL 99 44.281 -2.978 15.100 Start of MODEL 40 1 H2 GLY 1 2H0 GLY 1 10.761 9.378 -5.907 2 H GLY 1 1H0 GLY 1 12.036 8.322 -5.908 3 HA2 GLY 1 1HA GLY 1 9.894 8.461 -7.985 4 HA3 GLY 1 2HA GLY 1 11.327 7.401 -8.074 5 H SER 2 H SER 2 9.575 8.062 -5.174 6 HA SER 2 HA SER 2 8.468 6.737 -3.646 7 HB2 SER 2 1HB SER 2 6.846 6.597 -5.630 8 HB3 SER 2 2HB SER 2 7.555 5.005 -5.962 9 HG SER 2 HG SER 2 5.713 4.840 -4.629 10 H MET 3 H MET 3 8.031 3.848 -3.843 11 HA MET 3 HA MET 3 9.114 2.007 -2.999 12 HB2 MET 3 1HB MET 3 10.459 2.617 -5.622 13 HB3 MET 3 2HB MET 3 10.923 1.198 -4.674 14 HG2 MET 3 1HG MET 3 9.307 0.484 -6.278 15 HG3 MET 3 2HG MET 3 8.582 0.409 -4.671 16 HE1 MET 3 1HE MET 3 8.391 1.817 -8.264 17 HE2 MET 3 2HE MET 3 7.405 3.285 -8.100 18 HE3 MET 3 3HE MET 3 9.064 3.257 -7.458 19 H LYS 4 H LYS 4 9.951 3.813 -1.310 20 HA LYS 4 HA LYS 4 12.869 3.976 -1.207 21 HB2 LYS 4 1HB LYS 4 10.726 4.450 0.911 22 HB3 LYS 4 2HB LYS 4 12.462 4.673 1.181 23 HG2 LYS 4 1HG LYS 4 12.482 6.375 -0.654 24 HG3 LYS 4 2HG LYS 4 10.714 6.234 -0.754 25 HD2 LYS 4 1HD LYS 4 10.532 6.889 1.625 26 HD3 LYS 4 2HD LYS 4 12.302 7.005 1.727 27 HE2 LYS 4 1HE LYS 4 12.263 8.763 -0.037 28 HE3 LYS 4 2HE LYS 4 10.486 8.691 -0.041 29 HZ1 LYS 4 1HZ LYS 4 11.298 10.464 1.393 30 HZ2 LYS 4 2HZ LYS 4 12.176 9.400 2.296 31 HZ3 LYS 4 3HZ LYS 4 10.528 9.323 2.305 32 H TYR 5 H TYR 5 14.179 2.508 -0.345 33 HA TYR 5 HA TYR 5 15.016 0.596 0.385 34 HB2 TYR 5 1HB TYR 5 12.584 0.709 2.148 35 HB3 TYR 5 2HB TYR 5 13.785 -0.554 2.258 36 HD1 TYR 5 HD1 TYR 5 16.362 0.836 1.946 37 HD2 TYR 5 HD2 TYR 5 12.821 2.059 4.071 38 HE1 TYR 5 HE1 TYR 5 17.749 2.215 3.473 39 HE2 TYR 5 HE2 TYR 5 14.238 3.445 5.596 40 HH TYR 5 HH TYR 5 17.794 3.573 5.280 41 H LEU 6 H LEU 6 14.854 -1.724 0.516 42 HA LEU 6 HA LEU 6 13.645 -2.655 -1.954 43 HB2 LEU 6 1HB LEU 6 15.122 -4.169 0.224 44 HB3 LEU 6 2HB LEU 6 14.798 -4.750 -1.400 45 HG LEU 6 HG LEU 6 16.616 -2.410 -0.755 46 HD11 LEU 6 1HD1 LEU 6 17.458 -4.542 0.159 47 HD12 LEU 6 2HD1 LEU 6 18.450 -3.985 -1.206 48 HD13 LEU 6 3HD1 LEU 6 17.276 -5.304 -1.441 49 HD21 LEU 6 1HD2 LEU 6 16.187 -3.972 -3.328 50 HD22 LEU 6 2HD2 LEU 6 17.406 -2.698 -3.066 51 HD23 LEU 6 3HD2 LEU 6 15.681 -2.291 -3.023 52 H ASN 7 H ASN 7 13.049 -3.137 1.484 53 HA ASN 7 HA ASN 7 11.438 -4.215 2.665 54 HB2 ASN 7 1HB ASN 7 9.709 -3.605 0.242 55 HB3 ASN 7 2HB ASN 7 9.131 -4.007 1.866 56 HD21 ASN 7 1HD2 ASN 7 10.549 -0.820 3.135 57 HD22 ASN 7 2HD2 ASN 7 10.862 -2.505 3.445 58 H VAL 8 H VAL 8 13.041 -6.142 1.633 59 HA VAL 8 HA VAL 8 11.157 -8.216 0.595 60 HB VAL 8 HB VAL 8 12.829 -9.089 -0.699 61 HG11 VAL 8 1HG1 VAL 8 14.324 -6.528 -0.045 62 HG12 VAL 8 2HG1 VAL 8 14.446 -7.507 -1.523 63 HG13 VAL 8 3HG1 VAL 8 12.942 -6.643 -1.181 64 HG21 VAL 8 1HG2 VAL 8 15.286 -9.118 0.018 65 HG22 VAL 8 2HG2 VAL 8 14.714 -8.563 1.594 66 HG23 VAL 8 3HG2 VAL 8 14.154 -10.114 0.953 67 H LEU 9 H LEU 9 11.499 -10.437 1.561 68 HA LEU 9 HA LEU 9 12.053 -10.131 4.474 69 HB2 LEU 9 1HB LEU 9 10.683 -12.351 2.939 70 HB3 LEU 9 2HB LEU 9 10.910 -12.307 4.684 71 HG LEU 9 HG LEU 9 9.225 -10.351 3.067 72 HD11 LEU 9 1HD1 LEU 9 7.321 -11.486 4.146 73 HD12 LEU 9 2HD1 LEU 9 8.432 -12.619 4.952 74 HD13 LEU 9 3HD1 LEU 9 8.281 -12.628 3.185 75 HD21 LEU 9 1HD2 LEU 9 9.647 -10.626 6.080 76 HD22 LEU 9 2HD2 LEU 9 8.391 -9.630 5.307 77 HD23 LEU 9 3HD2 LEU 9 10.100 -9.236 5.064 78 H ALA 10 H ALA 10 13.533 -11.422 5.562 79 HA ALA 10 HA ALA 10 15.096 -13.361 3.917 80 HB1 ALA 10 1HB ALA 10 17.200 -12.452 4.750 81 HB2 ALA 10 2HB ALA 10 16.294 -11.210 3.867 82 HB3 ALA 10 3HB ALA 10 16.323 -11.179 5.640 83 H LYS 11 H LYS 11 15.897 -15.121 5.045 84 HA LYS 11 HA LYS 11 14.943 -15.345 7.876 85 HB2 LYS 11 1HB LYS 11 14.063 -17.048 6.400 86 HB3 LYS 11 2HB LYS 11 15.671 -17.451 5.807 87 HG2 LYS 11 1HG LYS 11 16.300 -18.473 7.849 88 HG3 LYS 11 2HG LYS 11 14.977 -17.723 8.747 89 HD2 LYS 11 1HD LYS 11 14.481 -19.749 6.551 90 HD3 LYS 11 2HD LYS 11 14.770 -20.204 8.248 91 HE2 LYS 11 1HE LYS 11 12.901 -18.521 8.824 92 HE3 LYS 11 2HE LYS 11 12.486 -18.573 7.108 93 HZ1 LYS 11 1HZ LYS 11 12.492 -20.877 8.962 94 HZ2 LYS 11 2HZ LYS 11 12.131 -20.967 7.351 95 HZ3 LYS 11 3HZ LYS 11 11.160 -20.110 8.373 96 H ALA 12 H ALA 12 16.308 -15.762 9.519 97 HA ALA 12 HA ALA 12 19.186 -15.505 9.140 98 HB1 ALA 12 1HB ALA 12 19.201 -15.937 11.588 99 HB2 ALA 12 2HB ALA 12 18.029 -14.681 11.135 100 HB3 ALA 12 3HB ALA 12 17.466 -16.314 11.521 101 H LEU 13 H LEU 13 20.628 -17.096 8.659 102 HA LEU 13 HA LEU 13 19.732 -19.929 8.748 103 HB2 LEU 13 1HB LEU 13 22.396 -18.669 8.030 104 HB3 LEU 13 2HB LEU 13 22.039 -20.373 7.947 105 HG LEU 13 HG LEU 13 21.939 -19.899 5.800 106 HD11 LEU 13 1HD1 LEU 13 19.118 -18.972 6.420 107 HD12 LEU 13 2HD1 LEU 13 19.648 -20.676 6.428 108 HD13 LEU 13 3HD1 LEU 13 19.712 -19.739 4.926 109 HD21 LEU 13 1HD2 LEU 13 21.480 -17.806 4.801 110 HD22 LEU 13 2HD2 LEU 13 22.509 -17.524 6.202 111 HD23 LEU 13 3HD2 LEU 13 20.765 -17.185 6.298 112 H TYR 14 H TYR 14 21.363 -17.586 10.657 113 HA TYR 14 HA TYR 14 22.131 -19.667 12.621 114 HB2 TYR 14 1HB TYR 14 23.991 -17.469 11.647 115 HB3 TYR 14 2HB TYR 14 24.321 -18.650 12.910 116 HD1 TYR 14 HD1 TYR 14 24.221 -18.049 9.294 117 HD2 TYR 14 HD2 TYR 14 24.740 -21.042 12.335 118 HE1 TYR 14 HE1 TYR 14 25.182 -19.602 7.598 119 HE2 TYR 14 HE2 TYR 14 25.729 -22.580 10.648 120 HH TYR 14 HH TYR 14 26.355 -22.857 8.465 121 H ASP 15 H ASP 15 22.498 -18.753 14.727 122 HA ASP 15 HA ASP 15 20.834 -16.529 15.428 123 HB2 ASP 15 1HB ASP 15 23.071 -17.941 16.930 124 HB3 ASP 15 2HB ASP 15 21.855 -16.874 17.653 125 H ASN 16 H ASN 16 21.525 -14.541 16.420 126 HA ASN 16 HA ASN 16 24.220 -13.565 15.632 127 HB2 ASN 16 1HB ASN 16 23.236 -12.699 13.775 128 HB3 ASN 16 2HB ASN 16 21.632 -13.008 14.388 129 HD21 ASN 16 1HD2 ASN 16 23.320 -9.367 14.997 130 HD22 ASN 16 2HD2 ASN 16 24.334 -10.735 14.618 131 H VAL 17 H VAL 17 25.043 -12.209 17.088 132 HA VAL 17 HA VAL 17 23.240 -11.158 19.213 133 HB VAL 17 HB VAL 17 26.173 -12.014 19.455 134 HG11 VAL 17 1HG1 VAL 17 25.856 -11.516 21.889 135 HG12 VAL 17 2HG1 VAL 17 25.701 -10.066 20.880 136 HG13 VAL 17 3HG1 VAL 17 24.243 -10.861 21.527 137 HG21 VAL 17 1HG2 VAL 17 24.702 -13.971 19.389 138 HG22 VAL 17 2HG2 VAL 17 25.291 -13.720 21.040 139 HG23 VAL 17 3HG2 VAL 17 23.638 -13.242 20.612 140 H ALA 18 H ALA 18 23.224 -9.027 19.294 141 HA ALA 18 HA ALA 18 24.682 -7.495 17.337 142 HB1 ALA 18 1HB ALA 18 22.984 -6.579 19.697 143 HB2 ALA 18 2HB ALA 18 23.452 -5.613 18.274 144 HB3 ALA 18 3HB ALA 18 22.348 -6.994 18.084 145 H GLU 19 H GLU 19 26.681 -6.764 17.546 146 HA GLU 19 HA GLU 19 27.839 -6.471 20.311 147 HB2 GLU 19 1HB GLU 19 29.132 -6.853 17.587 148 HB3 GLU 19 2HB GLU 19 30.030 -6.518 19.075 149 HG2 GLU 19 1HG GLU 19 29.161 -8.572 20.085 150 HG3 GLU 19 2HG GLU 19 28.212 -8.909 18.640 151 H SER 20 H SER 20 26.781 -4.902 17.477 152 HA SER 20 HA SER 20 27.999 -2.287 18.314 153 HB2 SER 20 1HB SER 20 28.528 -2.899 16.005 154 HB3 SER 20 2HB SER 20 26.830 -3.267 15.676 155 HG SER 20 HG SER 20 27.639 -1.128 14.992 156 HA PRO 21 HA PRO 21 23.887 -1.261 19.597 157 HB2 PRO 21 1HB PRO 21 23.884 1.470 19.352 158 HB3 PRO 21 2HB PRO 21 24.816 0.614 20.627 159 HG2 PRO 21 1HG PRO 21 25.776 1.614 17.945 160 HG3 PRO 21 2HG PRO 21 26.487 1.874 19.573 161 HD2 PRO 21 1HD PRO 21 27.444 -0.007 17.954 162 HD3 PRO 21 2HD PRO 21 27.294 -0.285 19.728 163 H ASP 22 H ASP 22 25.112 -0.574 16.432 164 HA ASP 22 HA ASP 22 22.536 0.297 15.320 165 HB2 ASP 22 1HB ASP 22 25.372 -0.073 14.385 166 HB3 ASP 22 2HB ASP 22 24.095 -0.286 13.182 167 H GLU 23 H GLU 23 23.928 -2.656 16.283 168 HA GLU 23 HA GLU 23 23.016 -4.130 13.901 169 HB2 GLU 23 1HB GLU 23 25.286 -4.434 14.935 170 HB3 GLU 23 2HB GLU 23 24.493 -5.148 16.337 171 HG2 GLU 23 1HG GLU 23 23.580 -6.924 14.890 172 HG3 GLU 23 2HG GLU 23 24.366 -6.196 13.500 173 H LEU 24 H LEU 24 21.573 -5.852 13.945 174 HA LEU 24 HA LEU 24 19.607 -5.751 16.162 175 HB2 LEU 24 1HB LEU 24 19.680 -7.281 13.539 176 HB3 LEU 24 2HB LEU 24 18.396 -7.434 14.728 177 HG LEU 24 HG LEU 24 19.089 -4.905 13.216 178 HD11 LEU 24 1HD1 LEU 24 16.824 -6.902 12.966 179 HD12 LEU 24 2HD1 LEU 24 18.046 -6.498 11.748 180 HD13 LEU 24 3HD1 LEU 24 16.819 -5.299 12.206 181 HD21 LEU 24 1HD2 LEU 24 16.936 -5.525 15.276 182 HD22 LEU 24 2HD2 LEU 24 16.928 -4.087 14.230 183 HD23 LEU 24 3HD2 LEU 24 18.245 -4.318 15.394 184 H SER 25 H SER 25 18.851 -7.782 17.114 185 HA SER 25 HA SER 25 20.972 -9.873 17.283 186 HB2 SER 25 1HB SER 25 19.697 -9.890 19.747 187 HB3 SER 25 2HB SER 25 21.293 -9.205 19.403 188 HG SER 25 HG SER 25 20.021 -7.633 20.376 189 H PHE 26 H PHE 26 20.074 -11.560 16.213 190 HA PHE 26 HA PHE 26 17.269 -12.308 17.011 191 HB2 PHE 26 1HB PHE 26 16.797 -12.943 14.663 192 HB3 PHE 26 2HB PHE 26 17.021 -11.217 14.918 193 HD1 PHE 26 HD1 PHE 26 18.868 -14.284 13.761 194 HD2 PHE 26 HD2 PHE 26 18.506 -10.006 13.615 195 HE1 PHE 26 HE1 PHE 26 20.572 -14.197 11.919 196 HE2 PHE 26 HE2 PHE 26 20.179 -9.920 11.829 197 HZ PHE 26 HZ PHE 26 21.200 -12.011 10.924 198 H ARG 27 H ARG 27 16.580 -14.443 16.193 199 HA ARG 27 HA ARG 27 18.697 -16.425 16.962 200 HB2 ARG 27 1HB ARG 27 17.003 -16.643 18.534 201 HB3 ARG 27 2HB ARG 27 15.799 -15.980 17.452 202 HG2 ARG 27 1HG ARG 27 15.068 -18.153 17.888 203 HG3 ARG 27 2HG ARG 27 15.751 -18.220 16.256 204 HD2 ARG 27 1HD ARG 27 17.864 -19.034 17.274 205 HD3 ARG 27 2HD ARG 27 17.072 -19.094 18.842 206 HE ARG 27 HE ARG 27 15.458 -20.617 17.230 207 HH11 ARG 27 1HH1 ARG 27 18.948 -20.667 17.808 208 HH12 ARG 27 2HH1 ARG 27 19.055 -22.391 17.575 209 HH21 ARG 27 1HH2 ARG 27 15.676 -22.811 16.912 210 HH22 ARG 27 2HH2 ARG 27 17.236 -23.576 17.068 211 H LYS 28 H LYS 28 18.848 -18.367 15.821 212 HA LYS 28 HA LYS 28 18.692 -18.198 12.976 213 HB2 LYS 28 1HB LYS 28 20.132 -19.807 14.129 214 HB3 LYS 28 2HB LYS 28 18.737 -20.593 14.858 215 HG2 LYS 28 1HG LYS 28 18.007 -21.447 12.727 216 HG3 LYS 28 2HG LYS 28 19.226 -20.491 11.873 217 HD2 LYS 28 1HD LYS 28 21.012 -21.739 13.007 218 HD3 LYS 28 2HD LYS 28 19.806 -22.707 13.875 219 HE2 LYS 28 1HE LYS 28 19.082 -23.787 11.890 220 HE3 LYS 28 2HE LYS 28 19.863 -22.571 10.853 221 HZ1 LYS 28 1HZ LYS 28 22.001 -23.335 11.714 222 HZ2 LYS 28 2HZ LYS 28 21.197 -24.549 10.930 223 HZ3 LYS 28 3HZ LYS 28 21.249 -24.531 12.568 224 H GLY 29 H GLY 29 17.098 -18.406 11.569 225 HA2 GLY 29 1HA GLY 29 15.169 -19.517 10.733 226 HA3 GLY 29 2HA GLY 29 14.646 -19.874 12.375 227 H ASP 30 H ASP 30 15.518 -16.801 12.828 228 HA ASP 30 HA ASP 30 12.808 -15.844 12.746 229 HB2 ASP 30 1HB ASP 30 15.511 -14.538 13.195 230 HB3 ASP 30 2HB ASP 30 14.027 -13.587 13.147 231 H ILE 31 H ILE 31 12.021 -13.984 11.607 232 HA ILE 31 HA ILE 31 13.207 -13.675 8.882 233 HB ILE 31 HB ILE 31 10.276 -13.419 9.715 234 HG12 ILE 31 1HG1 ILE 31 10.894 -15.754 9.678 235 HG13 ILE 31 2HG1 ILE 31 9.906 -15.379 8.268 236 HG21 ILE 31 1HG2 ILE 31 11.670 -13.037 7.012 237 HG22 ILE 31 2HG2 ILE 31 9.910 -13.261 7.187 238 HG23 ILE 31 3HG2 ILE 31 10.700 -11.851 7.920 239 HD11 ILE 31 1HD1 ILE 31 12.824 -16.039 8.405 240 HD12 ILE 31 2HD1 ILE 31 11.541 -16.740 7.394 241 HD13 ILE 31 3HD1 ILE 31 12.186 -15.135 7.008 242 H MET 32 H MET 32 13.810 -11.685 8.337 243 HA MET 32 HA MET 32 12.625 -9.382 9.839 244 HB2 MET 32 1HB MET 32 14.837 -8.275 9.689 245 HB3 MET 32 2HB MET 32 14.844 -9.697 10.711 246 HG2 MET 32 1HG MET 32 15.617 -10.805 8.347 247 HG3 MET 32 2HG MET 32 16.301 -9.180 8.212 248 HE1 MET 32 1HE MET 32 17.224 -12.377 11.463 249 HE2 MET 32 2HE MET 32 15.594 -11.690 11.328 250 HE3 MET 32 3HE MET 32 16.266 -12.650 9.989 251 H THR 33 H THR 33 12.639 -7.421 8.698 252 HA THR 33 HA THR 33 12.202 -7.861 5.786 253 HB THR 33 HB THR 33 11.667 -5.459 7.596 254 HG1 THR 33 HG1 THR 33 9.489 -6.169 7.298 255 HG21 THR 33 1HG2 THR 33 10.245 -4.699 5.688 256 HG22 THR 33 2HG2 THR 33 10.943 -6.002 4.691 257 HG23 THR 33 3HG2 THR 33 11.982 -4.695 5.321 258 H VAL 34 H VAL 34 13.920 -7.546 4.470 259 HA VAL 34 HA VAL 34 16.209 -5.949 5.347 260 HB VAL 34 HB VAL 34 15.659 -7.144 2.624 261 HG11 VAL 34 1HG1 VAL 34 17.405 -5.437 2.549 262 HG12 VAL 34 2HG1 VAL 34 18.227 -6.176 3.942 263 HG13 VAL 34 3HG1 VAL 34 18.140 -7.039 2.388 264 HG21 VAL 34 1HG2 VAL 34 17.182 -8.967 3.428 265 HG22 VAL 34 2HG2 VAL 34 17.036 -8.299 5.063 266 HG23 VAL 34 3HG2 VAL 34 15.600 -8.925 4.218 267 H LEU 35 H LEU 35 16.447 -3.868 5.050 268 HA LEU 35 HA LEU 35 14.474 -2.452 3.341 269 HB2 LEU 35 1HB LEU 35 16.443 -1.489 5.435 270 HB3 LEU 35 2HB LEU 35 15.278 -0.479 4.594 271 HG LEU 35 HG LEU 35 14.555 -2.801 6.404 272 HD11 LEU 35 1HD1 LEU 35 15.601 -1.094 7.665 273 HD12 LEU 35 2HD1 LEU 35 13.851 -0.976 7.926 274 HD13 LEU 35 3HD1 LEU 35 14.657 0.177 6.840 275 HD21 LEU 35 1HD2 LEU 35 12.801 -2.374 4.768 276 HD22 LEU 35 2HD2 LEU 35 12.844 -0.637 5.132 277 HD23 LEU 35 3HD2 LEU 35 12.285 -1.795 6.363 278 H GLU 36 H GLU 36 18.025 -2.655 3.993 279 HA GLU 36 HA GLU 36 18.407 -2.347 1.095 280 HB2 GLU 36 1HB GLU 36 19.771 -0.459 1.085 281 HB3 GLU 36 2HB GLU 36 18.402 0.014 2.077 282 HG2 GLU 36 1HG GLU 36 19.742 -0.442 4.045 283 HG3 GLU 36 2HG GLU 36 21.121 -0.749 2.987 284 H ARG 37 H ARG 37 20.925 -2.493 0.676 285 HA ARG 37 HA ARG 37 22.117 -4.337 2.709 286 HB2 ARG 37 1HB ARG 37 22.218 -4.628 -0.306 287 HB3 ARG 37 2HB ARG 37 23.049 -5.660 0.869 288 HG2 ARG 37 1HG ARG 37 20.724 -6.258 1.777 289 HG3 ARG 37 2HG ARG 37 20.077 -5.447 0.341 290 HD2 ARG 37 1HD ARG 37 21.869 -7.861 0.448 291 HD3 ARG 37 2HD ARG 37 20.215 -7.765 -0.192 292 HE ARG 37 HE ARG 37 21.735 -5.929 -1.654 293 HH11 ARG 37 1HH1 ARG 37 21.885 -9.412 -1.142 294 HH12 ARG 37 2HH1 ARG 37 22.648 -9.701 -2.681 295 HH21 ARG 37 1HH2 ARG 37 22.711 -6.364 -3.596 296 HH22 ARG 37 2HH2 ARG 37 23.105 -7.998 -4.044 297 H ASP 38 H ASP 38 24.382 -4.166 2.812 298 HA ASP 38 HA ASP 38 26.365 -3.113 2.793 299 HB2 ASP 38 1HB ASP 38 25.661 -2.254 -0.025 300 HB3 ASP 38 2HB ASP 38 27.282 -2.485 0.664 301 H THR 39 H THR 39 24.181 -1.962 3.911 302 HA THR 39 HA THR 39 23.678 0.775 3.297 303 HB THR 39 HB THR 39 22.148 -0.604 4.656 304 HG1 THR 39 HG1 THR 39 21.781 1.455 5.168 305 HG21 THR 39 1HG2 THR 39 24.269 -0.578 6.775 306 HG22 THR 39 2HG2 THR 39 23.729 -1.983 5.828 307 HG23 THR 39 3HG2 THR 39 22.604 -1.180 6.931 308 H GLN 40 H GLN 40 24.386 2.657 4.240 309 HA GLN 40 HA GLN 40 25.916 4.140 5.005 310 HB2 GLN 40 1HB GLN 40 26.758 2.134 7.093 311 HB3 GLN 40 2HB GLN 40 26.806 3.891 7.179 312 HG2 GLN 40 1HG GLN 40 24.232 3.727 6.941 313 HG3 GLN 40 2HG GLN 40 24.443 2.037 7.395 314 HE21 GLN 40 1HE2 GLN 40 24.509 2.787 10.797 315 HE22 GLN 40 2HE2 GLN 40 24.170 1.660 9.499 316 H GLY 41 H GLY 41 26.828 1.745 3.171 317 HA2 GLY 41 1HA GLY 41 28.792 1.488 1.948 318 HA3 GLY 41 2HA GLY 41 29.629 2.611 3.046 319 H LEU 42 H LEU 42 27.816 0.188 4.687 320 HA LEU 42 HA LEU 42 30.325 -1.131 5.487 321 HB2 LEU 42 1HB LEU 42 27.467 -1.476 6.422 322 HB3 LEU 42 2HB LEU 42 28.891 -2.156 7.188 323 HG LEU 42 HG LEU 42 28.394 0.821 6.938 324 HD11 LEU 42 1HD1 LEU 42 27.760 -1.069 9.218 325 HD12 LEU 42 2HD1 LEU 42 26.593 -0.204 8.194 326 HD13 LEU 42 3HD1 LEU 42 27.664 0.707 9.277 327 HD21 LEU 42 1HD2 LEU 42 30.222 -0.832 8.706 328 HD22 LEU 42 2HD2 LEU 42 30.013 0.931 8.780 329 HD23 LEU 42 3HD2 LEU 42 30.714 0.189 7.329 330 H ASP 43 H ASP 43 30.842 -2.266 3.616 331 HA ASP 43 HA ASP 43 29.044 -3.780 2.054 332 HB2 ASP 43 1HB ASP 43 31.996 -4.115 2.643 333 HB3 ASP 43 2HB ASP 43 31.129 -5.201 1.545 334 H GLY 44 H GLY 44 27.998 -5.651 2.293 335 HA2 GLY 44 1HA GLY 44 27.691 -7.849 3.059 336 HA3 GLY 44 2HA GLY 44 29.026 -7.653 4.207 337 H TRP 45 H TRP 45 27.483 -4.959 5.011 338 HA TRP 45 HA TRP 45 25.808 -6.331 7.034 339 HB2 TRP 45 1HB TRP 45 26.927 -3.561 6.631 340 HB3 TRP 45 2HB TRP 45 25.718 -3.869 7.843 341 HD1 TRP 45 HD1 TRP 45 29.409 -4.098 7.273 342 HE1 TRP 45 HE1 TRP 45 30.625 -5.127 9.254 343 HE3 TRP 45 HE3 TRP 45 25.303 -5.847 9.717 344 HZ2 TRP 45 HZ2 TRP 45 29.878 -6.618 11.596 345 HZ3 TRP 45 HZ3 TRP 45 25.597 -7.069 11.852 346 HH2 TRP 45 HH2 TRP 45 27.850 -7.462 12.780 347 H TRP 46 H TRP 46 23.617 -6.338 6.884 348 HA TRP 46 HA TRP 46 22.420 -4.682 4.689 349 HB2 TRP 46 1HB TRP 46 21.548 -7.369 5.812 350 HB3 TRP 46 2HB TRP 46 20.686 -6.457 4.564 351 HD1 TRP 46 HD1 TRP 46 24.091 -5.935 3.522 352 HE1 TRP 46 HE1 TRP 46 24.944 -7.589 1.809 353 HE3 TRP 46 HE3 TRP 46 20.477 -9.502 4.158 354 HZ2 TRP 46 HZ2 TRP 46 24.199 -10.193 0.868 355 HZ3 TRP 46 HZ3 TRP 46 20.635 -11.605 2.835 356 HH2 TRP 46 HH2 TRP 46 22.454 -11.931 1.181 357 H LEU 47 H LEU 47 20.925 -3.212 5.251 358 HA LEU 47 HA LEU 47 20.231 -2.875 8.074 359 HB2 LEU 47 1HB LEU 47 20.508 -0.948 6.521 360 HB3 LEU 47 2HB LEU 47 19.192 -1.568 5.538 361 HG LEU 47 HG LEU 47 17.618 -1.160 7.353 362 HD11 LEU 47 1HD1 LEU 47 20.015 -0.083 8.847 363 HD12 LEU 47 2HD1 LEU 47 18.963 -1.437 9.307 364 HD13 LEU 47 3HD1 LEU 47 18.324 0.213 9.305 365 HD21 LEU 47 1HD2 LEU 47 17.635 1.281 7.244 366 HD22 LEU 47 2HD2 LEU 47 18.056 0.578 5.676 367 HD23 LEU 47 3HD2 LEU 47 19.339 1.257 6.707 368 H CYS 48 H CYS 48 18.655 -3.994 9.039 369 HA CYS 48 HA CYS 48 16.295 -4.706 7.364 370 HB2 CYS 48 1HB CYS 48 17.486 -6.578 9.438 371 HB3 CYS 48 2HB CYS 48 16.185 -6.908 8.303 372 HG CYS 48 HG CYS 48 19.358 -6.285 7.635 373 H SER 49 H SER 49 14.455 -5.377 8.738 374 HA SER 49 HA SER 49 14.463 -3.919 11.347 375 HB2 SER 49 1HB SER 49 12.774 -2.620 10.685 376 HB3 SER 49 2HB SER 49 13.118 -3.123 9.040 377 HG SER 49 HG SER 49 10.939 -3.463 9.560 378 H LEU 50 H LEU 50 13.825 -5.074 12.994 379 HA LEU 50 HA LEU 50 12.256 -7.575 12.568 380 HB2 LEU 50 1HB LEU 50 14.683 -8.179 12.497 381 HB3 LEU 50 2HB LEU 50 14.910 -7.360 14.040 382 HG LEU 50 HG LEU 50 12.862 -9.169 14.560 383 HD11 LEU 50 1HD1 LEU 50 13.333 -10.221 12.389 384 HD12 LEU 50 2HD1 LEU 50 13.597 -11.286 13.793 385 HD13 LEU 50 3HD1 LEU 50 14.993 -10.553 12.965 386 HD21 LEU 50 1HD2 LEU 50 15.846 -9.358 15.023 387 HD22 LEU 50 2HD2 LEU 50 14.629 -10.346 15.845 388 HD23 LEU 50 3HD2 LEU 50 14.639 -8.594 16.081 389 H HIS 51 H HIS 51 10.760 -7.715 14.172 390 HA HIS 51 HA HIS 51 9.499 -7.140 16.000 391 HB2 HIS 51 1HB HIS 51 12.185 -6.633 17.342 392 HB3 HIS 51 2HB HIS 51 10.642 -6.917 18.150 393 HD1 HIS 51 HD1 HIS 51 13.105 -8.781 18.660 394 HD2 HIS 51 HD2 HIS 51 10.083 -9.529 15.889 395 HE1 HIS 51 HE1 HIS 51 13.069 -11.283 18.253 396 H GLY 52 H GLY 52 10.321 -4.979 14.083 397 HA2 GLY 52 1HA GLY 52 9.667 -2.754 13.929 398 HA3 GLY 52 2HA GLY 52 9.307 -2.750 15.658 399 H ARG 53 H ARG 53 12.471 -3.929 15.230 400 HA ARG 53 HA ARG 53 13.584 -1.212 15.805 401 HB2 ARG 53 1HB ARG 53 13.774 -3.390 17.386 402 HB3 ARG 53 2HB ARG 53 15.061 -3.809 16.277 403 HG2 ARG 53 1HG ARG 53 15.001 -1.138 17.759 404 HG3 ARG 53 2HG ARG 53 15.716 -2.602 18.452 405 HD2 ARG 53 1HD ARG 53 17.090 -2.768 16.306 406 HD3 ARG 53 2HD ARG 53 16.585 -1.123 15.961 407 HE ARG 53 HE ARG 53 18.471 -2.038 18.037 408 HH11 ARG 53 1HH1 ARG 53 16.796 0.721 16.597 409 HH12 ARG 53 2HH1 ARG 53 17.920 1.864 17.275 410 HH21 ARG 53 1HH2 ARG 53 19.876 -0.516 18.821 411 HH22 ARG 53 2HH2 ARG 53 19.623 1.172 18.511 412 H GLN 54 H GLN 54 15.096 -0.479 14.395 413 HA GLN 54 HA GLN 54 15.668 -2.159 12.005 414 HB2 GLN 54 1HB GLN 54 15.139 0.680 12.502 415 HB3 GLN 54 2HB GLN 54 16.604 0.420 11.543 416 HG2 GLN 54 1HG GLN 54 15.330 -0.909 9.960 417 HG3 GLN 54 2HG GLN 54 13.865 -0.684 10.921 418 HE21 GLN 54 1HE2 GLN 54 15.375 2.678 9.084 419 HE22 GLN 54 2HE2 GLN 54 16.461 1.540 9.839 420 H GLY 55 H GLY 55 17.781 -2.634 11.413 421 HA2 GLY 55 1HA GLY 55 20.021 -1.173 12.436 422 HA3 GLY 55 2HA GLY 55 19.777 -2.631 13.404 423 H ILE 56 H ILE 56 22.141 -2.478 12.157 424 HA ILE 56 HA ILE 56 21.953 -3.679 9.478 425 HB ILE 56 HB ILE 56 24.412 -3.703 9.486 426 HG12 ILE 56 1HG1 ILE 56 24.163 -2.776 12.388 427 HG13 ILE 56 2HG1 ILE 56 24.714 -4.361 11.871 428 HG21 ILE 56 1HG2 ILE 56 23.472 -1.072 10.743 429 HG22 ILE 56 2HG2 ILE 56 24.770 -1.317 9.549 430 HG23 ILE 56 3HG2 ILE 56 23.076 -1.553 9.084 431 HD11 ILE 56 1HD1 ILE 56 26.615 -3.148 10.641 432 HD12 ILE 56 2HD1 ILE 56 26.115 -1.691 11.540 433 HD13 ILE 56 3HD1 ILE 56 26.668 -3.134 12.415 434 H VAL 57 H VAL 57 22.796 -5.706 8.920 435 HA VAL 57 HA VAL 57 22.913 -7.745 11.098 436 HB VAL 57 HB VAL 57 21.280 -7.859 8.556 437 HG11 VAL 57 1HG1 VAL 57 21.817 -10.000 10.536 438 HG12 VAL 57 2HG1 VAL 57 20.464 -10.055 9.391 439 HG13 VAL 57 3HG1 VAL 57 22.131 -10.017 8.793 440 HG21 VAL 57 1HG2 VAL 57 20.473 -7.766 11.456 441 HG22 VAL 57 2HG2 VAL 57 20.110 -6.564 10.202 442 HG23 VAL 57 3HG2 VAL 57 19.341 -8.165 10.137 443 HA PRO 58 HA PRO 58 26.269 -8.920 8.370 444 HB2 PRO 58 1HB PRO 58 26.860 -11.403 9.349 445 HB3 PRO 58 2HB PRO 58 27.262 -9.903 10.233 446 HG2 PRO 58 1HG PRO 58 24.904 -11.730 10.620 447 HG3 PRO 58 2HG PRO 58 26.023 -11.050 11.844 448 HD2 PRO 58 1HD PRO 58 23.582 -9.959 11.280 449 HD3 PRO 58 2HD PRO 58 24.975 -8.963 11.779 450 H GLY 59 H GLY 59 25.529 -9.228 6.305 451 HA2 GLY 59 1HA GLY 59 23.385 -10.900 5.564 452 HA3 GLY 59 2HA GLY 59 24.656 -10.302 4.486 453 H ASN 60 H ASN 60 26.689 -11.696 6.242 454 HA ASN 60 HA ASN 60 26.898 -14.137 4.780 455 HB2 ASN 60 1HB ASN 60 28.722 -12.749 5.972 456 HB3 ASN 60 2HB ASN 60 28.225 -13.590 7.448 457 HD21 ASN 60 1HD2 ASN 60 30.792 -15.819 6.520 458 HD22 ASN 60 2HD2 ASN 60 30.341 -14.484 7.566 459 H ARG 61 H ARG 61 24.974 -13.371 7.567 460 HA ARG 61 HA ARG 61 24.610 -16.303 8.122 461 HB2 ARG 61 1HB ARG 61 24.099 -13.901 9.922 462 HB3 ARG 61 2HB ARG 61 23.756 -15.581 10.333 463 HG2 ARG 61 1HG ARG 61 26.165 -16.115 10.121 464 HG3 ARG 61 2HG ARG 61 26.497 -14.399 9.808 465 HD2 ARG 61 1HD ARG 61 25.529 -13.810 11.993 466 HD3 ARG 61 2HD ARG 61 25.163 -15.517 12.290 467 HE ARG 61 HE ARG 61 27.958 -15.206 11.696 468 HH11 ARG 61 1HH1 ARG 61 25.657 -14.720 14.354 469 HH12 ARG 61 2HH1 ARG 61 26.933 -14.770 15.550 470 HH21 ARG 61 1HH2 ARG 61 29.467 -15.328 13.259 471 HH22 ARG 61 2HH2 ARG 61 29.048 -15.122 14.946 472 H LEU 62 H LEU 62 23.302 -14.107 6.206 473 HA LEU 62 HA LEU 62 20.497 -14.748 7.001 474 HB2 LEU 62 1HB LEU 62 21.559 -12.309 7.149 475 HB3 LEU 62 2HB LEU 62 21.162 -12.298 5.436 476 HG LEU 62 HG LEU 62 18.813 -12.813 6.010 477 HD11 LEU 62 1HD1 LEU 62 17.990 -12.458 8.237 478 HD12 LEU 62 2HD1 LEU 62 19.652 -12.275 8.842 479 HD13 LEU 62 3HD1 LEU 62 19.095 -13.819 8.178 480 HD21 LEU 62 1HD2 LEU 62 19.403 -10.565 5.520 481 HD22 LEU 62 2HD2 LEU 62 20.080 -10.315 7.149 482 HD23 LEU 62 3HD2 LEU 62 18.337 -10.518 6.926 483 H LYS 63 H LYS 63 19.002 -15.231 5.463 484 HA LYS 63 HA LYS 63 20.053 -15.494 2.663 485 HB2 LYS 63 1HB LYS 63 19.777 -17.721 3.653 486 HB3 LYS 63 2HB LYS 63 18.130 -17.329 4.155 487 HG2 LYS 63 1HG LYS 63 17.435 -17.190 1.801 488 HG3 LYS 63 2HG LYS 63 19.097 -17.439 1.267 489 HD2 LYS 63 1HD LYS 63 17.937 -19.506 1.003 490 HD3 LYS 63 2HD LYS 63 19.045 -19.704 2.371 491 HE2 LYS 63 1HE LYS 63 17.194 -19.389 3.944 492 HE3 LYS 63 2HE LYS 63 16.084 -19.054 2.594 493 HZ1 LYS 63 1HZ LYS 63 16.494 -21.301 1.777 494 HZ2 LYS 63 2HZ LYS 63 15.888 -21.346 3.311 495 HZ3 LYS 63 3HZ LYS 63 17.488 -21.631 3.046 496 H ILE 64 H ILE 64 19.081 -14.190 1.340 497 HA ILE 64 HA ILE 64 16.620 -12.842 1.948 498 HB ILE 64 HB ILE 64 18.038 -13.257 -0.735 499 HG12 ILE 64 1HG1 ILE 64 19.552 -12.222 0.881 500 HG13 ILE 64 2HG1 ILE 64 19.068 -11.070 -0.358 501 HG21 ILE 64 1HG2 ILE 64 16.887 -11.077 -1.303 502 HG22 ILE 64 2HG2 ILE 64 15.809 -12.483 -1.134 503 HG23 ILE 64 3HG2 ILE 64 15.928 -11.300 0.176 504 HD11 ILE 64 1HD1 ILE 64 18.182 -11.157 2.557 505 HD12 ILE 64 2HD1 ILE 64 19.061 -9.870 1.714 506 HD13 ILE 64 3HD1 ILE 64 17.354 -10.148 1.349 507 H LEU 65 H LEU 65 14.578 -13.537 1.676 508 HA LEU 65 HA LEU 65 14.153 -16.154 0.317 509 HB2 LEU 65 1HB LEU 65 12.253 -14.404 1.929 510 HB3 LEU 65 2HB LEU 65 11.929 -16.035 1.346 511 HG LEU 65 HG LEU 65 14.014 -15.266 3.429 512 HD11 LEU 65 1HD1 LEU 65 12.511 -16.352 5.006 513 HD12 LEU 65 2HD1 LEU 65 11.347 -16.686 3.706 514 HD13 LEU 65 3HD1 LEU 65 11.698 -15.004 4.193 515 HD21 LEU 65 1HD2 LEU 65 13.172 -17.989 2.368 516 HD22 LEU 65 2HD2 LEU 65 14.162 -17.727 3.828 517 HD23 LEU 65 3HD2 LEU 65 14.778 -17.225 2.242 518 H VAL 66 H VAL 66 14.213 -15.675 -1.855 519 HA VAL 66 HA VAL 66 13.091 -13.168 -2.828 520 HB VAL 66 HB VAL 66 14.052 -15.538 -4.503 521 HG11 VAL 66 1HG1 VAL 66 14.472 -13.823 -6.204 522 HG12 VAL 66 2HG1 VAL 66 12.777 -13.750 -5.689 523 HG13 VAL 66 3HG1 VAL 66 13.935 -12.547 -5.086 524 HG21 VAL 66 1HG2 VAL 66 16.258 -14.353 -4.575 525 HG22 VAL 66 2HG2 VAL 66 15.670 -13.244 -3.319 526 HG23 VAL 66 3HG2 VAL 66 15.867 -14.977 -2.962 527 H GLY 67 H GLY 67 12.178 -16.635 -2.830 528 HA2 GLY 67 1HA GLY 67 10.078 -17.564 -3.110 529 HA3 GLY 67 2HA GLY 67 9.379 -15.930 -3.170 530 H MET 68 H MET 68 12.029 -17.026 -5.204 531 HA MET 68 HA MET 68 10.187 -17.169 -7.536 532 HB2 MET 68 1HB MET 68 10.994 -14.826 -7.244 533 HB3 MET 68 2HB MET 68 12.647 -15.391 -7.458 534 HG2 MET 68 1HG MET 68 12.021 -16.221 -9.733 535 HG3 MET 68 2HG MET 68 10.407 -15.523 -9.507 536 HE1 MET 68 1HE MET 68 11.008 -11.681 -9.563 537 HE2 MET 68 2HE MET 68 9.832 -13.013 -9.522 538 HE3 MET 68 3HE MET 68 10.834 -12.672 -8.091 539 H TYR 69 H TYR 69 13.759 -16.889 -7.588 540 HA TYR 69 HA TYR 69 13.793 -19.447 -9.051 541 HB2 TYR 69 1HB TYR 69 16.112 -18.879 -9.572 542 HB3 TYR 69 2HB TYR 69 15.034 -17.530 -9.950 543 HD1 TYR 69 HD1 TYR 69 15.188 -15.408 -8.719 544 HD2 TYR 69 HD2 TYR 69 17.683 -18.739 -7.652 545 HE1 TYR 69 HE1 TYR 69 16.574 -13.908 -7.287 546 HE2 TYR 69 HE2 TYR 69 19.078 -17.235 -6.218 547 HH TYR 69 HH TYR 69 19.400 -15.087 -5.465 548 H ASP 70 H ASP 70 14.317 -18.282 -5.921 549 HA ASP 70 HA ASP 70 15.761 -19.005 -4.195 550 HB2 ASP 70 1HB ASP 70 13.401 -20.847 -4.546 551 HB3 ASP 70 2HB ASP 70 14.387 -20.793 -3.073 552 H LYS 71 H LYS 71 17.566 -19.741 -5.857 553 HA LYS 71 HA LYS 71 17.935 -22.587 -6.066 554 HB2 LYS 71 1HB LYS 71 18.868 -20.618 -7.505 555 HB3 LYS 71 2HB LYS 71 20.194 -20.604 -6.332 556 HG2 LYS 71 1HG LYS 71 20.699 -22.968 -6.885 557 HG3 LYS 71 2HG LYS 71 19.298 -23.022 -7.963 558 HD2 LYS 71 1HD LYS 71 21.154 -22.726 -9.393 559 HD3 LYS 71 2HD LYS 71 20.380 -21.137 -9.288 560 HE2 LYS 71 1HE LYS 71 22.770 -20.824 -9.133 561 HE3 LYS 71 2HE LYS 71 22.076 -20.487 -7.539 562 HZ1 LYS 71 1HZ LYS 71 24.056 -21.881 -7.389 563 HZ2 LYS 71 2HZ LYS 71 23.374 -23.035 -8.347 564 HZ3 LYS 71 3HZ LYS 71 22.734 -22.724 -6.861 565 H LYS 72 H LYS 72 18.282 -20.633 -3.370 566 HA LYS 72 HA LYS 72 20.486 -22.263 -2.218 567 HB2 LYS 72 1HB LYS 72 18.839 -20.017 -1.022 568 HB3 LYS 72 2HB LYS 72 20.106 -20.899 -0.174 569 HG2 LYS 72 1HG LYS 72 21.423 -20.065 -2.456 570 HG3 LYS 72 2HG LYS 72 20.321 -18.715 -2.140 571 HD2 LYS 72 1HD LYS 72 22.284 -18.149 -0.959 572 HD3 LYS 72 2HD LYS 72 21.205 -18.794 0.295 573 HE2 LYS 72 1HE LYS 72 22.361 -20.983 0.183 574 HE3 LYS 72 2HE LYS 72 23.389 -20.387 -1.137 575 HZ1 LYS 72 1HZ LYS 72 24.531 -20.293 0.999 576 HZ2 LYS 72 2HZ LYS 72 23.375 -19.303 1.634 577 HZ3 LYS 72 3HZ LYS 72 24.330 -18.768 0.401 578 HA PRO 73 HA PRO 73 17.404 -25.087 -1.288 579 HB2 PRO 73 1HB PRO 73 18.500 -26.659 0.672 580 HB3 PRO 73 2HB PRO 73 19.115 -26.618 -1.014 581 HG2 PRO 73 1HG PRO 73 20.110 -25.107 1.388 582 HG3 PRO 73 2HG PRO 73 21.031 -26.124 0.232 583 HD2 PRO 73 1HD PRO 73 20.945 -23.451 -0.037 584 HD3 PRO 73 2HD PRO 73 20.875 -24.517 -1.485 585 H ALA 74 H ALA 74 15.881 -25.969 0.145 586 HA ALA 74 HA ALA 74 15.581 -24.890 2.857 587 HB1 ALA 74 1HB ALA 74 13.448 -24.541 0.675 588 HB2 ALA 74 2HB ALA 74 13.236 -24.168 2.396 589 HB3 ALA 74 3HB ALA 74 14.359 -23.203 1.411 590 H GLY 75 H GLY 75 13.839 -26.324 3.894 591 HA2 GLY 75 1HA GLY 75 12.498 -28.460 3.112 592 HA3 GLY 75 2HA GLY 75 14.144 -29.031 2.729 593 H SER 76 H SER 76 14.009 -30.652 4.408 594 HA SER 76 HA SER 76 13.482 -30.075 7.139 595 HB2 SER 76 1HB SER 76 15.477 -32.179 6.440 596 HB3 SER 76 2HB SER 76 14.014 -32.282 7.447 597 HG SER 76 HG SER 76 13.654 -33.394 5.523 598 H GLY 77 H GLY 77 16.265 -29.344 5.194 599 HA2 GLY 77 1HA GLY 77 17.969 -27.872 5.894 600 HA3 GLY 77 2HA GLY 77 17.605 -28.245 7.587 601 H GLY 78 H GLY 78 17.687 -31.015 7.544 602 HA2 GLY 78 1HA GLY 78 19.412 -32.649 6.454 603 HA3 GLY 78 2HA GLY 78 20.596 -31.492 7.125 604 H SER 79 H SER 79 21.077 -33.708 8.326 605 HA SER 79 HA SER 79 20.070 -33.294 11.028 606 HB2 SER 79 1HB SER 79 18.334 -34.837 10.012 607 HB3 SER 79 2HB SER 79 19.638 -35.998 9.690 608 HG SER 79 HG SER 79 18.404 -35.298 12.073 609 H GLY 80 H GLY 80 21.659 -34.133 12.488 610 HA2 GLY 80 1HA GLY 80 23.657 -35.098 13.126 611 HA3 GLY 80 2HA GLY 80 23.629 -36.029 11.627 612 H SER 81 H SER 81 24.311 -32.662 12.782 613 HA SER 81 HA SER 81 26.799 -32.739 11.158 614 HB2 SER 81 1HB SER 81 25.064 -31.651 9.740 615 HB3 SER 81 2HB SER 81 24.766 -30.474 11.037 616 HG SER 81 HG SER 81 26.212 -29.596 9.586 617 H GLY 82 H GLY 82 28.398 -31.290 11.947 618 HA2 GLY 82 1HA GLY 82 29.560 -30.174 13.577 619 HA3 GLY 82 2HA GLY 82 28.066 -29.286 13.818 620 H LEU 83 H LEU 83 28.278 -32.721 14.540 621 HA LEU 83 HA LEU 83 27.866 -33.866 16.472 622 HB2 LEU 83 1HB LEU 83 29.470 -31.672 17.811 623 HB3 LEU 83 2HB LEU 83 29.114 -33.252 18.489 624 HG LEU 83 HG LEU 83 30.808 -32.786 16.005 625 HD11 LEU 83 1HD1 LEU 83 31.855 -31.868 18.035 626 HD12 LEU 83 2HD1 LEU 83 32.718 -33.308 17.455 627 HD13 LEU 83 3HD1 LEU 83 31.639 -33.426 18.863 628 HD21 LEU 83 1HD2 LEU 83 29.777 -35.016 16.012 629 HD22 LEU 83 2HD2 LEU 83 30.326 -35.292 17.678 630 HD23 LEU 83 3HD2 LEU 83 31.510 -35.149 16.356 631 H THR 84 H THR 84 25.973 -31.960 15.583 632 HA THR 84 HA THR 84 23.812 -31.595 16.164 633 HB THR 84 HB THR 84 24.229 -31.536 19.152 634 HG1 THR 84 HG1 THR 84 25.255 -33.413 18.603 635 HG21 THR 84 1HG2 THR 84 21.991 -32.630 19.101 636 HG22 THR 84 2HG2 THR 84 22.021 -32.579 17.324 637 HG23 THR 84 3HG2 THR 84 21.971 -31.067 18.255 638 H ASP 85 H ASP 85 26.494 -29.708 16.914 639 HA ASP 85 HA ASP 85 24.773 -27.338 17.486 640 HB2 ASP 85 1HB ASP 85 26.940 -27.892 18.796 641 HB3 ASP 85 2HB ASP 85 27.784 -27.348 17.339 642 H GLU 86 H GLU 86 24.996 -25.462 16.116 643 HA GLU 86 HA GLU 86 26.161 -26.032 13.413 644 HB2 GLU 86 1HB GLU 86 23.420 -24.863 13.984 645 HB3 GLU 86 2HB GLU 86 24.235 -24.791 12.412 646 HG2 GLU 86 1HG GLU 86 24.347 -27.282 12.393 647 HG3 GLU 86 2HG GLU 86 23.399 -27.303 13.892 648 H LEU 87 H LEU 87 27.880 -24.920 14.516 649 HA LEU 87 HA LEU 87 27.697 -22.277 15.491 650 HB2 LEU 87 1HB LEU 87 30.030 -23.770 14.256 651 HB3 LEU 87 2HB LEU 87 30.175 -22.225 15.099 652 HG LEU 87 HG LEU 87 29.161 -24.793 16.381 653 HD11 LEU 87 1HD1 LEU 87 31.369 -24.880 17.466 654 HD12 LEU 87 2HD1 LEU 87 31.895 -23.455 16.539 655 HD13 LEU 87 3HD1 LEU 87 31.521 -24.985 15.700 656 HD21 LEU 87 1HD2 LEU 87 28.315 -22.819 17.535 657 HD22 LEU 87 2HD2 LEU 87 29.942 -22.088 17.558 658 HD23 LEU 87 3HD2 LEU 87 29.593 -23.557 18.500 659 H ALA 88 H ALA 88 28.094 -20.316 14.661 660 HA ALA 88 HA ALA 88 27.331 -20.106 11.864 661 HB1 ALA 88 1HB ALA 88 27.736 -17.907 13.914 662 HB2 ALA 88 2HB ALA 88 26.778 -17.834 12.413 663 HB3 ALA 88 3HB ALA 88 26.242 -18.856 13.763 664 HA PRO 89 HA PRO 89 31.314 -18.734 10.454 665 HB2 PRO 89 1HB PRO 89 30.664 -17.282 8.244 666 HB3 PRO 89 2HB PRO 89 30.464 -19.062 8.297 667 HG2 PRO 89 1HG PRO 89 28.423 -16.904 8.788 668 HG3 PRO 89 2HG PRO 89 28.321 -18.311 7.683 669 HD2 PRO 89 1HD PRO 89 27.230 -18.363 10.161 670 HD3 PRO 89 2HD PRO 89 28.005 -19.821 9.449 671 HA PRO 90 HA PRO 90 31.838 -14.795 12.211 672 HB2 PRO 90 1HB PRO 90 33.821 -13.533 10.809 673 HB3 PRO 90 2HB PRO 90 34.124 -14.981 11.823 674 HG2 PRO 90 1HG PRO 90 33.657 -14.829 8.853 675 HG3 PRO 90 2HG PRO 90 34.978 -15.649 9.752 676 HD2 PRO 90 1HD PRO 90 32.806 -16.994 8.881 677 HD3 PRO 90 2HD PRO 90 33.558 -17.391 10.464 678 H LYS 91 H LYS 91 31.423 -12.533 12.101 679 HA LYS 91 HA LYS 91 29.641 -11.730 9.891 680 HB2 LYS 91 1HB LYS 91 29.320 -9.686 11.312 681 HB3 LYS 91 2HB LYS 91 28.878 -11.191 12.133 682 HG2 LYS 91 1HG LYS 91 30.943 -11.151 13.435 683 HG3 LYS 91 2HG LYS 91 31.534 -9.742 12.540 684 HD2 LYS 91 1HD LYS 91 30.693 -9.048 14.721 685 HD3 LYS 91 2HD LYS 91 29.660 -8.381 13.448 686 HE2 LYS 91 1HE LYS 91 27.952 -10.088 13.877 687 HE3 LYS 91 2HE LYS 91 29.021 -10.901 15.042 688 HZ1 LYS 91 1HZ LYS 91 27.915 -8.171 15.357 689 HZ2 LYS 91 2HZ LYS 91 28.905 -8.963 16.438 690 HZ3 LYS 91 3HZ LYS 91 27.380 -9.507 16.142 691 HA PRO 92 HA PRO 92 32.967 -9.514 7.989 692 HB2 PRO 92 1HB PRO 92 31.729 -7.293 6.926 693 HB3 PRO 92 2HB PRO 92 31.547 -8.934 6.239 694 HG2 PRO 92 1HG PRO 92 29.737 -7.435 8.050 695 HG3 PRO 92 2HG PRO 92 29.353 -8.376 6.590 696 HD2 PRO 92 1HD PRO 92 29.029 -9.322 9.119 697 HD3 PRO 92 2HD PRO 92 29.453 -10.390 7.738 698 HA PRO 93 HA PRO 93 34.209 -6.671 11.079 699 HB2 PRO 93 1HB PRO 93 36.007 -5.019 9.872 700 HB3 PRO 93 2HB PRO 93 36.325 -6.769 10.079 701 HG2 PRO 93 1HG PRO 93 35.228 -5.325 7.687 702 HG3 PRO 93 2HG PRO 93 36.622 -6.453 7.771 703 HD2 PRO 93 1HD PRO 93 34.165 -7.280 7.020 704 HD3 PRO 93 2HD PRO 93 35.219 -8.327 8.033 705 H LEU 94 H LEU 94 34.491 -4.240 11.600 706 HA LEU 94 HA LEU 94 32.560 -2.563 10.100 707 HB2 LEU 94 1HB LEU 94 32.659 -3.158 13.066 708 HB3 LEU 94 2HB LEU 94 32.100 -1.590 12.504 709 HG LEU 94 HG LEU 94 30.827 -4.255 11.805 710 HD11 LEU 94 1HD1 LEU 94 29.008 -3.480 13.219 711 HD12 LEU 94 2HD1 LEU 94 29.882 -1.967 13.543 712 HD13 LEU 94 3HD1 LEU 94 30.527 -3.514 14.142 713 HD21 LEU 94 1HD2 LEU 94 30.488 -2.648 9.980 714 HD22 LEU 94 2HD2 LEU 94 29.973 -1.404 11.141 715 HD23 LEU 94 3HD2 LEU 94 28.987 -2.858 10.879 716 HA PRO 95 HA PRO 95 35.959 0.206 10.340 717 HB2 PRO 95 1HB PRO 95 34.791 2.622 9.965 718 HB3 PRO 95 2HB PRO 95 34.713 1.346 8.701 719 HG2 PRO 95 1HG PRO 95 32.674 2.050 10.795 720 HG3 PRO 95 2HG PRO 95 32.462 1.887 9.029 721 HD2 PRO 95 1HD PRO 95 31.906 -0.151 10.758 722 HD3 PRO 95 2HD PRO 95 32.549 -0.448 9.117 723 H GLU 96 H GLU 96 36.871 2.088 11.379 724 HA GLU 96 HA GLU 96 36.110 2.278 14.241 725 HB2 GLU 96 1HB GLU 96 38.612 3.085 12.710 726 HB3 GLU 96 2HB GLU 96 38.385 3.325 14.450 727 HG2 GLU 96 1HG GLU 96 38.238 0.898 14.781 728 HG3 GLU 96 2HG GLU 96 38.348 0.626 13.032 729 H GLY 97 H GLY 97 34.328 3.708 14.045 730 HA2 GLY 97 1HA GLY 97 35.002 6.497 13.867 731 HA3 GLY 97 2HA GLY 97 34.180 5.956 12.391 732 H GLU 98 H GLU 98 32.678 7.718 13.351 733 HA GLU 98 HA GLU 98 30.478 6.297 14.710 734 HB2 GLU 98 1HB GLU 98 30.146 8.016 16.364 735 HB3 GLU 98 2HB GLU 98 31.791 7.406 16.525 736 HG2 GLU 98 1HG GLU 98 32.356 9.586 16.621 737 HG3 GLU 98 2HG GLU 98 32.212 9.543 14.857 738 H VAL 99 H VAL 99 28.448 7.684 14.525 739 HA VAL 99 HA VAL 99 28.600 9.500 12.177 740 HB VAL 99 HB VAL 99 26.349 7.477 12.667 741 HG11 VAL 99 1HG1 VAL 99 25.630 9.493 11.390 742 HG12 VAL 99 2HG1 VAL 99 26.973 9.285 10.247 743 HG13 VAL 99 3HG1 VAL 99 25.670 8.081 10.324 744 HG21 VAL 99 1HG2 VAL 99 27.277 6.251 10.649 745 HG22 VAL 99 2HG2 VAL 99 28.713 7.290 10.713 746 HG23 VAL 99 3HG2 VAL 99 28.354 6.176 12.039 747 HXT VAL 99 H02 VAL 99 28.685 10.985 14.017
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