NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
567102 | 2m4k | 16912 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 2 HT1 GLY 2 -10.964 5.173 -0.931 2 H2 GLY 2 HT2 GLY 2 -10.886 6.279 -2.200 3 H3 GLY 2 HT3 GLY 2 -12.302 6.123 -1.307 4 HA2 GLY 2 HA1 GLY 2 -11.009 8.115 -0.661 5 HA3 GLY 2 HA2 GLY 2 -11.148 6.955 0.664 6 H ILE 3 HN ILE 3 -9.136 6.994 -2.241 7 HA ILE 3 HA ILE 3 -6.794 7.073 -0.502 8 HB ILE 3 HB ILE 3 -7.445 4.708 -0.938 9 HG12 ILE 3 HG12 ILE 3 -5.224 3.867 -1.639 10 HG13 ILE 3 HG11 ILE 3 -4.753 5.483 -2.130 11 HG21 ILE 3 HG21 ILE 3 -8.399 4.885 -3.113 12 HG22 ILE 3 HG22 ILE 3 -7.088 3.704 -3.145 13 HG23 ILE 3 HG23 ILE 3 -6.839 5.321 -3.812 14 HD11 ILE 3 HD11 ILE 3 -5.460 4.597 0.662 15 HD12 ILE 3 HD12 ILE 3 -5.004 6.237 0.199 16 HD13 ILE 3 HD13 ILE 3 -3.843 4.924 0.046 17 H LYS 4 HN LYS 4 -8.360 8.229 -3.321 18 HA LYS 4 HA LYS 4 -5.882 8.652 -4.770 19 HB2 LYS 4 HB2 LYS 4 -8.759 9.048 -5.512 20 HB3 LYS 4 HB1 LYS 4 -7.425 9.570 -6.530 21 HG2 LYS 4 HG2 LYS 4 -6.647 7.279 -6.721 22 HG3 LYS 4 HG1 LYS 4 -7.935 6.744 -5.643 23 HD2 LYS 4 HD2 LYS 4 -8.422 8.151 -8.257 24 HD3 LYS 4 HD1 LYS 4 -8.356 6.399 -8.087 25 HE2 LYS 4 HE2 LYS 4 -10.303 8.260 -6.717 26 HE3 LYS 4 HE1 LYS 4 -10.658 7.152 -8.037 27 HZ1 LYS 4 HZ1 LYS 4 -10.000 6.475 -5.223 28 HZ2 LYS 4 HZ2 LYS 4 -9.762 5.389 -6.473 29 HZ3 LYS 4 HZ3 LYS 4 -11.320 5.945 -6.153 30 H GLN 5 HN GLN 5 -8.273 10.310 -2.938 31 HA GLN 5 HA GLN 5 -7.640 12.915 -3.782 32 HB2 GLN 5 HB2 GLN 5 -8.828 13.683 -1.776 33 HB3 GLN 5 HB1 GLN 5 -9.721 12.448 -2.649 34 HG2 GLN 5 HG2 GLN 5 -8.968 10.775 -1.014 35 HG3 GLN 5 HG1 GLN 5 -8.126 12.048 -0.129 36 HE21 GLN 5 HE21 GLN 5 -11.181 10.756 -1.026 37 HE22 GLN 5 HE22 GLN 5 -12.122 11.639 0.144 38 H TYR 6 HN TYR 6 -5.718 10.821 -2.085 39 HA TYR 6 HA TYR 6 -4.514 12.818 -0.399 40 HB2 TYR 6 HB2 TYR 6 -3.780 9.932 -0.818 41 HB3 TYR 6 HB1 TYR 6 -2.991 11.005 0.327 42 HD1 TYR 6 HD2 TYR 6 -5.067 12.371 1.711 43 HD2 TYR 6 HD1 TYR 6 -5.068 8.388 0.243 44 HE1 TYR 6 HE2 TYR 6 -6.750 11.755 3.396 45 HE2 TYR 6 HE1 TYR 6 -6.746 7.763 1.920 46 HH TYR 6 HH TYR 6 -8.524 10.007 3.626 47 H SER 7 HN SER 7 -2.499 13.464 -0.485 48 HA SER 7 HA SER 7 -1.278 13.893 -3.105 49 HB2 SER 7 HB2 SER 7 -0.310 14.814 -0.410 50 HB3 SER 7 HB1 SER 7 -0.120 15.604 -1.979 51 HG SER 7 HG SER 7 -2.384 15.409 -0.320 52 H GLN 8 HN GLN 8 1.207 13.918 -2.971 53 HA GLN 8 HA GLN 8 1.960 11.256 -3.203 54 HB2 GLN 8 HB2 GLN 8 2.941 13.102 -4.422 55 HB3 GLN 8 HB1 GLN 8 3.666 13.697 -2.934 56 HG2 GLN 8 HG2 GLN 8 4.864 11.534 -2.759 57 HG3 GLN 8 HG1 GLN 8 4.160 11.163 -4.334 58 HE21 GLN 8 HE21 GLN 8 6.982 11.647 -3.423 59 HE22 GLN 8 HE22 GLN 8 7.601 12.805 -4.537 60 H GLU 9 HN GLU 9 3.008 13.621 -0.748 61 HA GLU 9 HA GLU 9 4.595 11.746 0.721 62 HB2 GLU 9 HB2 GLU 9 3.473 14.420 1.544 63 HB3 GLU 9 HB1 GLU 9 4.802 13.572 2.318 64 HG2 GLU 9 HG2 GLU 9 6.203 13.855 0.432 65 HG3 GLU 9 HG1 GLU 9 4.866 14.441 -0.551 66 H GLU 10 HN GLU 10 1.438 12.867 0.719 67 HA GLU 10 HA GLU 10 0.518 12.171 3.288 68 HB2 GLU 10 HB2 GLU 10 -0.348 13.851 1.689 69 HB3 GLU 10 HB1 GLU 10 -0.865 12.539 0.651 70 HG2 GLU 10 HG2 GLU 10 -2.626 11.989 2.133 71 HG3 GLU 10 HG1 GLU 10 -1.916 12.915 3.457 72 H LEU 11 HN LEU 11 0.378 10.600 0.104 73 HA LEU 11 HA LEU 11 -0.816 8.169 0.944 74 HB2 LEU 11 HB2 LEU 11 0.797 8.951 -1.452 75 HB3 LEU 11 HB1 LEU 11 0.167 7.328 -1.228 76 HG LEU 11 HG LEU 11 -1.601 9.765 -1.296 77 HD11 LEU 11 HD11 LEU 11 -0.329 9.573 -3.384 78 HD12 LEU 11 HD12 LEU 11 -2.037 9.197 -3.624 79 HD13 LEU 11 HD13 LEU 11 -0.846 7.896 -3.545 80 HD21 LEU 11 HD21 LEU 11 -2.090 6.810 -1.653 81 HD22 LEU 11 HD22 LEU 11 -3.302 8.072 -1.832 82 HD23 LEU 11 HD23 LEU 11 -2.561 7.783 -0.259 83 H LYS 12 HN LYS 12 2.484 9.274 0.662 84 HA LYS 12 HA LYS 12 3.911 6.896 0.902 85 HB2 LYS 12 HB2 LYS 12 4.408 9.736 1.426 86 HB3 LYS 12 HB1 LYS 12 5.434 8.641 2.324 87 HG2 LYS 12 HG2 LYS 12 5.135 8.427 -0.655 88 HG3 LYS 12 HG1 LYS 12 6.276 9.546 0.089 89 HD2 LYS 12 HD2 LYS 12 7.216 7.571 1.364 90 HD3 LYS 12 HD1 LYS 12 6.220 6.541 0.341 91 HE2 LYS 12 HE2 LYS 12 7.390 7.154 -1.614 92 HE3 LYS 12 HE1 LYS 12 8.160 8.530 -0.825 93 HZ1 LYS 12 HZ1 LYS 12 8.725 5.661 -0.212 94 HZ2 LYS 12 HZ2 LYS 12 9.429 6.995 0.523 95 HZ3 LYS 12 HZ3 LYS 12 9.730 6.704 -1.086 96 H GLU 13 HN GLU 13 2.530 8.929 3.427 97 HA GLU 13 HA GLU 13 3.569 7.132 5.419 98 HB2 GLU 13 HB2 GLU 13 2.626 8.823 7.053 99 HB3 GLU 13 HB1 GLU 13 3.944 9.340 6.017 100 HG2 GLU 13 HG2 GLU 13 2.139 10.322 4.505 101 HG3 GLU 13 HG1 GLU 13 1.048 10.082 5.870 102 H MET 14 HN MET 14 1.040 6.860 3.581 103 HA MET 14 HA MET 14 -0.923 5.973 5.512 104 HB2 MET 14 HB2 MET 14 -0.658 5.663 2.519 105 HB3 MET 14 HB1 MET 14 -1.916 4.840 3.416 106 HG2 MET 14 HG2 MET 14 -1.549 7.826 3.404 107 HG3 MET 14 HG1 MET 14 -2.582 6.965 2.266 108 HE1 MET 14 HE1 MET 14 -5.342 5.466 4.630 109 HE2 MET 14 HE2 MET 14 -3.870 4.652 4.120 110 HE3 MET 14 HE3 MET 14 -4.781 5.627 2.966 111 H ALA 15 HN ALA 15 -1.277 3.833 6.149 112 HA ALA 15 HA ALA 15 0.947 2.103 6.122 113 HB1 ALA 15 HB1 ALA 15 -1.936 1.514 6.808 114 HB2 ALA 15 HB2 ALA 15 -0.729 2.135 7.927 115 HB3 ALA 15 HB3 ALA 15 -0.553 0.517 7.258 116 H LEU 16 HN LEU 16 1.396 0.408 4.873 117 HA LEU 16 HA LEU 16 0.494 0.606 2.248 118 HB2 LEU 16 HB2 LEU 16 1.934 -1.366 1.689 119 HB3 LEU 16 HB1 LEU 16 2.744 -0.007 2.422 120 HG LEU 16 HG LEU 16 2.027 -2.514 3.988 121 HD11 LEU 16 HD11 LEU 16 4.314 -3.237 3.597 122 HD12 LEU 16 HD12 LEU 16 4.613 -1.815 2.605 123 HD13 LEU 16 HD13 LEU 16 3.488 -3.046 2.047 124 HD21 LEU 16 HD21 LEU 16 3.886 -1.758 5.426 125 HD22 LEU 16 HD22 LEU 16 2.595 -0.578 5.400 126 HD23 LEU 16 HD23 LEU 16 4.055 -0.308 4.446 127 H VAL 17 HN VAL 17 -0.377 -1.875 4.625 128 HA VAL 17 HA VAL 17 -1.896 -3.317 2.691 129 HB VAL 17 HB VAL 17 -1.083 -4.323 4.866 130 HG11 VAL 17 HG11 VAL 17 -2.428 -4.091 6.883 131 HG12 VAL 17 HG12 VAL 17 -3.409 -2.867 6.081 132 HG13 VAL 17 HG13 VAL 17 -1.707 -2.553 6.401 133 HG21 VAL 17 HG21 VAL 17 -2.687 -5.516 3.507 134 HG22 VAL 17 HG22 VAL 17 -4.014 -4.628 4.251 135 HG23 VAL 17 HG23 VAL 17 -3.058 -5.751 5.215 136 H GLU 18 HN GLU 18 -2.527 -0.566 4.646 137 HA GLU 18 HA GLU 18 -5.361 -0.684 4.421 138 HB2 GLU 18 HB2 GLU 18 -3.584 1.659 5.110 139 HB3 GLU 18 HB1 GLU 18 -5.337 1.656 5.234 140 HG2 GLU 18 HG2 GLU 18 -3.413 -0.045 6.798 141 HG3 GLU 18 HG1 GLU 18 -4.411 1.276 7.410 142 H ILE 19 HN ILE 19 -2.802 0.916 2.659 143 HA ILE 19 HA ILE 19 -4.344 2.394 0.836 144 HB ILE 19 HB ILE 19 -1.732 0.944 0.249 145 HG12 ILE 19 HG12 ILE 19 -2.175 3.801 1.157 146 HG13 ILE 19 HG11 ILE 19 -1.567 2.499 2.171 147 HG21 ILE 19 HG21 ILE 19 -1.433 2.632 -1.520 148 HG22 ILE 19 HG22 ILE 19 -3.045 3.259 -1.185 149 HG23 ILE 19 HG23 ILE 19 -2.849 1.617 -1.799 150 HD11 ILE 19 HD11 ILE 19 -0.208 3.633 -0.268 151 HD12 ILE 19 HD12 ILE 19 0.406 2.313 0.725 152 HD13 ILE 19 HD13 ILE 19 0.241 3.930 1.411 153 H ALA 20 HN ALA 20 -3.150 -0.897 0.697 154 HA ALA 20 HA ALA 20 -4.291 -1.653 -1.741 155 HB1 ALA 20 HB1 ALA 20 -2.511 -2.921 -0.624 156 HB2 ALA 20 HB2 ALA 20 -3.879 -3.947 -1.049 157 HB3 ALA 20 HB3 ALA 20 -3.656 -3.420 0.620 158 H HIS 21 HN HIS 21 -5.554 -1.932 1.571 159 HA HIS 21 HA HIS 21 -7.954 -3.226 1.123 160 HB2 HIS 21 HB2 HIS 21 -7.140 -2.613 3.362 161 HB3 HIS 21 HB1 HIS 21 -7.405 -0.906 3.000 162 HD1 HIS 21 HD1 HIS 21 -9.892 -0.025 3.155 163 HD2 HIS 21 HD2 HIS 21 -9.411 -4.067 4.060 164 HE1 HIS 21 HE1 HIS 21 -12.002 -0.727 4.242 165 HE2 HIS 21 HE2 HIS 21 -11.586 -3.075 5.010 166 H GLU 22 HN GLU 22 -7.272 0.236 0.840 167 HA GLU 22 HA GLU 22 -9.915 0.989 0.131 168 HB2 GLU 22 HB2 GLU 22 -7.350 2.440 -0.384 169 HB3 GLU 22 HB1 GLU 22 -8.952 3.171 -0.311 170 HG2 GLU 22 HG2 GLU 22 -7.389 1.952 1.975 171 HG3 GLU 22 HG1 GLU 22 -7.758 3.654 1.741 172 H LEU 23 HN LEU 23 -7.020 0.226 -1.597 173 HA LEU 23 HA LEU 23 -7.617 0.910 -4.220 174 HB2 LEU 23 HB2 LEU 23 -5.459 0.187 -3.289 175 HB3 LEU 23 HB1 LEU 23 -6.087 -1.427 -3.114 176 HG LEU 23 HG LEU 23 -6.088 -1.702 -5.584 177 HD11 LEU 23 HD11 LEU 23 -6.567 0.683 -6.114 178 HD12 LEU 23 HD12 LEU 23 -5.170 0.038 -6.965 179 HD13 LEU 23 HD13 LEU 23 -4.939 1.093 -5.568 180 HD21 LEU 23 HD21 LEU 23 -3.680 -1.604 -5.828 181 HD22 LEU 23 HD22 LEU 23 -4.159 -2.220 -4.233 182 HD23 LEU 23 HD23 LEU 23 -3.605 -0.558 -4.400 183 H PHE 24 HN PHE 24 -8.416 -1.965 -2.343 184 HA PHE 24 HA PHE 24 -9.641 -3.231 -4.554 185 HB2 PHE 24 HB2 PHE 24 -9.473 -4.017 -1.674 186 HB3 PHE 24 HB1 PHE 24 -10.458 -4.928 -2.823 187 HD1 PHE 24 HD2 PHE 24 -9.322 -5.560 -5.018 188 HD2 PHE 24 HD1 PHE 24 -7.219 -4.538 -1.493 189 HE1 PHE 24 HE2 PHE 24 -7.339 -6.655 -5.893 190 HE2 PHE 24 HE1 PHE 24 -5.204 -5.629 -2.378 191 HZ PHE 24 HZ PHE 24 -5.272 -6.696 -4.587 192 H GLU 25 HN GLU 25 -10.954 -1.382 -1.866 193 HA GLU 25 HA GLU 25 -13.576 -1.872 -2.858 194 HB2 GLU 25 HB2 GLU 25 -12.510 -0.189 -0.696 195 HB3 GLU 25 HB1 GLU 25 -14.000 0.391 -1.443 196 HG2 GLU 25 HG2 GLU 25 -13.549 -2.315 -0.217 197 HG3 GLU 25 HG1 GLU 25 -14.556 -1.009 0.425 198 H GLU 26 HN GLU 26 -11.158 0.254 -3.747 199 HA GLU 26 HA GLU 26 -12.707 2.103 -5.251 200 HB2 GLU 26 HB2 GLU 26 -10.474 2.676 -4.676 201 HB3 GLU 26 HB1 GLU 26 -9.851 1.185 -5.359 202 HG2 GLU 26 HG2 GLU 26 -10.566 1.976 -7.589 203 HG3 GLU 26 HG1 GLU 26 -11.002 3.515 -6.851 204 H HIS 27 HN HIS 27 -10.858 -0.766 -6.091 205 HA HIS 27 HA HIS 27 -11.735 -0.683 -8.804 206 HB2 HIS 27 HB2 HIS 27 -10.036 -2.624 -7.267 207 HB3 HIS 27 HB1 HIS 27 -10.589 -3.002 -8.891 208 HD1 HIS 27 HD1 HIS 27 -8.673 -0.062 -7.207 209 HD2 HIS 27 HD2 HIS 27 -8.833 -2.204 -10.783 210 HE1 HIS 27 HE1 HIS 27 -6.861 0.836 -8.610 211 HE2 HIS 27 HE2 HIS 27 -6.763 -0.601 -10.592 212 H LYS 28 HN LYS 28 -12.694 -2.539 -5.953 213 HA LYS 28 HA LYS 28 -14.319 -3.983 -5.529 214 HB2 LYS 28 HB2 LYS 28 -15.571 -2.373 -7.735 215 HB3 LYS 28 HB1 LYS 28 -16.439 -3.743 -7.056 216 HG2 LYS 28 HG2 LYS 28 -16.486 -2.762 -4.897 217 HG3 LYS 28 HG1 LYS 28 -15.338 -1.512 -5.372 218 HD2 LYS 28 HD2 LYS 28 -16.933 -0.453 -6.762 219 HD3 LYS 28 HD1 LYS 28 -18.037 -1.825 -6.653 220 HE2 LYS 28 HE2 LYS 28 -18.663 0.170 -5.271 221 HE3 LYS 28 HE1 LYS 28 -18.552 -1.346 -4.394 222 HZ1 LYS 28 HZ1 LYS 28 -16.320 0.631 -4.456 223 HZ2 LYS 28 HZ2 LYS 28 -16.566 -0.624 -3.318 224 HZ3 LYS 28 HZ3 LYS 28 -17.567 0.692 -3.352 225 H LYS 29 HN LYS 29 -12.212 -4.700 -7.119 226 HA LYS 29 HA LYS 29 -13.201 -7.078 -8.443 227 HB2 LYS 29 HB2 LYS 29 -11.333 -5.007 -9.608 228 HB3 LYS 29 HB1 LYS 29 -11.431 -6.642 -10.225 229 HG2 LYS 29 HG2 LYS 29 -13.773 -4.750 -10.117 230 HG3 LYS 29 HG1 LYS 29 -12.701 -4.905 -11.509 231 HD2 LYS 29 HD2 LYS 29 -14.306 -7.172 -10.310 232 HD3 LYS 29 HD1 LYS 29 -14.791 -6.239 -11.723 233 HE2 LYS 29 HE2 LYS 29 -12.706 -6.942 -12.857 234 HE3 LYS 29 HE1 LYS 29 -12.307 -7.933 -11.463 235 HZ1 LYS 29 HZ1 LYS 29 -14.299 -9.226 -11.847 236 HZ2 LYS 29 HZ2 LYS 29 -13.292 -9.231 -13.183 237 HZ3 LYS 29 HZ3 LYS 29 -14.688 -8.281 -13.199 238 HA PRO 30 HA PRO 30 -9.601 -8.508 -6.108 239 HB2 PRO 30 HB2 PRO 30 -9.568 -10.772 -8.002 240 HB3 PRO 30 HB1 PRO 30 -9.793 -10.801 -6.251 241 HG2 PRO 30 HG2 PRO 30 -11.812 -11.339 -7.926 242 HG3 PRO 30 HG1 PRO 30 -12.073 -10.472 -6.405 243 HD2 PRO 30 HD2 PRO 30 -11.880 -9.383 -9.186 244 HD3 PRO 30 HD1 PRO 30 -12.999 -8.956 -7.868 245 H VAL 31 HN VAL 31 -7.427 -8.234 -6.517 246 HA VAL 31 HA VAL 31 -6.676 -7.915 -9.327 247 HB VAL 31 HB VAL 31 -5.765 -6.050 -7.092 248 HG11 VAL 31 HG11 VAL 31 -5.239 -5.930 -10.049 249 HG12 VAL 31 HG12 VAL 31 -4.071 -6.328 -8.789 250 HG13 VAL 31 HG13 VAL 31 -4.765 -4.709 -8.868 251 HG21 VAL 31 HG21 VAL 31 -7.667 -5.470 -9.371 252 HG22 VAL 31 HG22 VAL 31 -7.064 -4.292 -8.209 253 HG23 VAL 31 HG23 VAL 31 -8.107 -5.608 -7.670 254 HA PRO 32 HA PRO 32 -3.376 -10.739 -8.162 255 HB2 PRO 32 HB2 PRO 32 -2.162 -9.398 -10.538 256 HB3 PRO 32 HB1 PRO 32 -2.281 -11.125 -10.161 257 HG2 PRO 32 HG2 PRO 32 -3.905 -10.126 -11.955 258 HG3 PRO 32 HG1 PRO 32 -4.564 -11.205 -10.708 259 HD2 PRO 32 HD2 PRO 32 -4.662 -8.210 -10.855 260 HD3 PRO 32 HD1 PRO 32 -5.949 -9.374 -10.450 261 H PHE 33 HN PHE 33 -1.281 -10.610 -7.425 262 HA PHE 33 HA PHE 33 -0.771 -8.475 -5.733 263 HB2 PHE 33 HB2 PHE 33 -0.005 -10.804 -5.382 264 HB3 PHE 33 HB1 PHE 33 1.207 -10.566 -6.648 265 HD1 PHE 33 HD1 PHE 33 0.163 -9.627 -3.257 266 HD2 PHE 33 HD2 PHE 33 3.221 -9.353 -6.199 267 HE1 PHE 33 HE1 PHE 33 1.712 -8.759 -1.561 268 HE2 PHE 33 HE2 PHE 33 4.773 -8.481 -4.507 269 HZ PHE 33 HZ PHE 33 4.018 -8.180 -2.184 270 H GLN 34 HN GLN 34 0.750 -9.227 -8.846 271 HA GLN 34 HA GLN 34 2.686 -7.166 -8.691 272 HB2 GLN 34 HB2 GLN 34 1.506 -8.516 -11.126 273 HB3 GLN 34 HB1 GLN 34 2.878 -7.431 -11.165 274 HG2 GLN 34 HG2 GLN 34 2.938 -9.886 -9.458 275 HG3 GLN 34 HG1 GLN 34 3.263 -9.986 -11.180 276 HE21 GLN 34 HE21 GLN 34 4.307 -7.174 -9.316 277 HE22 GLN 34 HE22 GLN 34 5.973 -7.567 -9.361 278 H GLU 35 HN GLU 35 -0.674 -7.183 -9.741 279 HA GLU 35 HA GLU 35 -0.293 -4.778 -11.231 280 HB2 GLU 35 HB2 GLU 35 -2.770 -6.395 -10.688 281 HB3 GLU 35 HB1 GLU 35 -2.696 -4.984 -11.738 282 HG2 GLU 35 HG2 GLU 35 -1.027 -6.135 -13.129 283 HG3 GLU 35 HG1 GLU 35 -1.189 -7.556 -12.102 284 H LEU 36 HN LEU 36 -1.717 -5.772 -8.189 285 HA LEU 36 HA LEU 36 -2.851 -3.280 -7.634 286 HB2 LEU 36 HB2 LEU 36 -2.945 -4.034 -5.256 287 HB3 LEU 36 HB1 LEU 36 -3.629 -5.169 -6.387 288 HG LEU 36 HG LEU 36 -1.362 -6.398 -6.204 289 HD11 LEU 36 HD11 LEU 36 -1.218 -4.846 -3.636 290 HD12 LEU 36 HD12 LEU 36 -0.203 -4.588 -5.049 291 HD13 LEU 36 HD13 LEU 36 -0.134 -6.131 -4.200 292 HD21 LEU 36 HD21 LEU 36 -2.107 -7.600 -4.199 293 HD22 LEU 36 HD22 LEU 36 -3.409 -7.318 -5.349 294 HD23 LEU 36 HD23 LEU 36 -3.284 -6.323 -3.892 295 H LEU 37 HN LEU 37 0.416 -4.440 -7.219 296 HA LEU 37 HA LEU 37 1.356 -2.287 -5.643 297 HB2 LEU 37 HB2 LEU 37 2.681 -4.197 -7.515 298 HB3 LEU 37 HB1 LEU 37 3.603 -3.027 -6.572 299 HG LEU 37 HG LEU 37 1.873 -5.247 -5.476 300 HD11 LEU 37 HD11 LEU 37 4.855 -5.036 -5.816 301 HD12 LEU 37 HD12 LEU 37 3.768 -6.154 -6.641 302 HD13 LEU 37 HD13 LEU 37 4.021 -6.292 -4.903 303 HD21 LEU 37 HD21 LEU 37 3.813 -3.364 -4.123 304 HD22 LEU 37 HD22 LEU 37 3.014 -4.736 -3.357 305 HD23 LEU 37 HD23 LEU 37 2.059 -3.372 -3.928 306 H ASN 38 HN ASN 38 1.137 -2.890 -9.086 307 HA ASN 38 HA ASN 38 2.424 -0.558 -10.007 308 HB2 ASN 38 HB2 ASN 38 0.399 -2.405 -11.232 309 HB3 ASN 38 HB1 ASN 38 0.817 -0.915 -12.062 310 HD21 ASN 38 HD21 ASN 38 2.026 -4.030 -10.966 311 HD22 ASN 38 HD22 ASN 38 3.431 -4.022 -11.942 312 H GLU 39 HN GLU 39 -0.954 -1.205 -9.275 313 HA GLU 39 HA GLU 39 -2.084 1.247 -9.948 314 HB2 GLU 39 HB2 GLU 39 -2.879 -0.451 -7.580 315 HB3 GLU 39 HB1 GLU 39 -3.881 0.696 -8.454 316 HG2 GLU 39 HG2 GLU 39 -2.816 -1.902 -9.534 317 HG3 GLU 39 HG1 GLU 39 -4.462 -1.605 -8.984 318 H ILE 40 HN ILE 40 -0.796 0.127 -6.843 319 HA ILE 40 HA ILE 40 -1.259 2.445 -5.333 320 HB ILE 40 HB ILE 40 0.930 0.381 -4.949 321 HG12 ILE 40 HG12 ILE 40 -1.755 0.593 -3.574 322 HG13 ILE 40 HG11 ILE 40 -1.409 -0.496 -4.913 323 HG21 ILE 40 HG21 ILE 40 0.952 1.151 -2.586 324 HG22 ILE 40 HG22 ILE 40 -0.135 2.471 -3.044 325 HG23 ILE 40 HG23 ILE 40 1.485 2.385 -3.728 326 HD11 ILE 40 HD11 ILE 40 0.250 -1.649 -3.562 327 HD12 ILE 40 HD12 ILE 40 -1.327 -1.655 -2.774 328 HD13 ILE 40 HD13 ILE 40 -0.065 -0.552 -2.216 329 H ALA 41 HN ALA 41 1.760 1.365 -6.879 330 HA ALA 41 HA ALA 41 3.360 3.453 -6.031 331 HB1 ALA 41 HB1 ALA 41 4.898 2.841 -7.777 332 HB2 ALA 41 HB2 ALA 41 3.641 1.882 -8.574 333 HB3 ALA 41 HB3 ALA 41 4.241 1.411 -6.979 334 H SER 42 HN SER 42 1.513 3.244 -9.055 335 HA SER 42 HA SER 42 2.422 5.812 -9.917 336 HB2 SER 42 HB2 SER 42 0.099 4.176 -10.936 337 HB3 SER 42 HB1 SER 42 0.889 5.522 -11.767 338 HG SER 42 HG SER 42 2.801 3.907 -11.106 339 H LEU 43 HN LEU 43 -0.213 4.786 -7.924 340 HA LEU 43 HA LEU 43 -1.732 7.156 -8.208 341 HB2 LEU 43 HB2 LEU 43 -2.631 5.092 -7.183 342 HB3 LEU 43 HB1 LEU 43 -1.524 5.284 -5.841 343 HG LEU 43 HG LEU 43 -2.672 7.342 -5.172 344 HD11 LEU 43 HD11 LEU 43 -4.763 7.988 -6.247 345 HD12 LEU 43 HD12 LEU 43 -4.541 6.726 -7.458 346 HD13 LEU 43 HD13 LEU 43 -3.415 8.080 -7.372 347 HD21 LEU 43 HD21 LEU 43 -3.394 5.203 -4.243 348 HD22 LEU 43 HD22 LEU 43 -4.524 4.996 -5.581 349 HD23 LEU 43 HD23 LEU 43 -4.754 6.308 -4.426 350 H LEU 44 HN LEU 44 0.924 6.168 -6.180 351 HA LEU 44 HA LEU 44 1.142 8.705 -4.859 352 HB2 LEU 44 HB2 LEU 44 3.026 6.344 -5.052 353 HB3 LEU 44 HB1 LEU 44 3.477 7.847 -4.288 354 HG LEU 44 HG LEU 44 1.680 7.489 -2.615 355 HD11 LEU 44 HD11 LEU 44 1.428 4.770 -3.871 356 HD12 LEU 44 HD12 LEU 44 0.200 6.029 -3.877 357 HD13 LEU 44 HD13 LEU 44 0.688 5.278 -2.353 358 HD21 LEU 44 HD21 LEU 44 3.733 5.305 -2.844 359 HD22 LEU 44 HD22 LEU 44 2.857 5.742 -1.374 360 HD23 LEU 44 HD23 LEU 44 3.963 6.895 -2.118 361 H GLY 45 HN GLY 45 2.715 10.215 -5.293 362 HA2 GLY 45 HA2 GLY 45 3.484 10.413 -8.101 363 HA3 GLY 45 HA1 GLY 45 3.722 11.657 -6.880 364 H VAL 46 HN VAL 46 4.812 8.280 -6.876 365 HA VAL 46 HA VAL 46 7.576 9.241 -6.756 366 HB VAL 46 HB VAL 46 8.126 7.630 -5.028 367 HG11 VAL 46 HG11 VAL 46 5.863 9.413 -4.181 368 HG12 VAL 46 HG12 VAL 46 7.569 9.846 -4.277 369 HG13 VAL 46 HG13 VAL 46 7.027 8.657 -3.093 370 HG21 VAL 46 HG21 VAL 46 5.181 6.986 -4.958 371 HG22 VAL 46 HG22 VAL 46 6.350 6.439 -3.755 372 HG23 VAL 46 HG23 VAL 46 6.491 5.908 -5.432 373 H LYS 47 HN LYS 47 9.080 7.315 -6.919 374 HA LYS 47 HA LYS 47 8.410 5.820 -9.263 375 HB2 LYS 47 HB2 LYS 47 10.682 4.981 -9.147 376 HB3 LYS 47 HB1 LYS 47 10.710 6.705 -8.808 377 HG2 LYS 47 HG2 LYS 47 10.866 6.201 -6.395 378 HG3 LYS 47 HG1 LYS 47 10.908 4.483 -6.779 379 HD2 LYS 47 HD2 LYS 47 13.158 5.134 -6.440 380 HD3 LYS 47 HD1 LYS 47 12.959 4.987 -8.185 381 HE2 LYS 47 HE2 LYS 47 14.206 6.977 -7.745 382 HE3 LYS 47 HE1 LYS 47 12.592 7.459 -8.265 383 HZ1 LYS 47 HZ1 LYS 47 13.631 7.422 -5.480 384 HZ2 LYS 47 HZ2 LYS 47 12.043 7.703 -5.840 385 HZ3 LYS 47 HZ3 LYS 47 13.217 8.780 -6.364 386 H LYS 48 HN LYS 48 8.541 3.466 -9.313 387 HA LYS 48 HA LYS 48 6.879 2.301 -7.348 388 HB2 LYS 48 HB2 LYS 48 6.888 1.645 -9.712 389 HB3 LYS 48 HB1 LYS 48 8.491 0.951 -9.518 390 HG2 LYS 48 HG2 LYS 48 7.597 -0.597 -7.877 391 HG3 LYS 48 HG1 LYS 48 5.980 0.046 -8.134 392 HD2 LYS 48 HD2 LYS 48 7.688 -1.391 -10.217 393 HD3 LYS 48 HD1 LYS 48 6.327 -2.077 -9.341 394 HE2 LYS 48 HE2 LYS 48 5.521 -1.547 -11.510 395 HE3 LYS 48 HE1 LYS 48 4.864 -0.338 -10.425 396 HZ1 LYS 48 HZ1 LYS 48 5.626 0.537 -12.536 397 HZ2 LYS 48 HZ2 LYS 48 7.217 0.117 -12.228 398 HZ3 LYS 48 HZ3 LYS 48 6.429 1.276 -11.278 399 H GLU 49 HN GLU 49 10.304 2.397 -7.812 400 HA GLU 49 HA GLU 49 11.138 0.242 -6.305 401 HB2 GLU 49 HB2 GLU 49 12.588 2.876 -6.598 402 HB3 GLU 49 HB1 GLU 49 13.302 1.355 -6.096 403 HG2 GLU 49 HG2 GLU 49 13.920 1.432 -8.310 404 HG3 GLU 49 HG1 GLU 49 12.438 0.495 -8.396 405 H GLU 50 HN GLU 50 10.021 3.324 -5.139 406 HA GLU 50 HA GLU 50 10.915 3.284 -2.433 407 HB2 GLU 50 HB2 GLU 50 8.183 4.170 -3.377 408 HB3 GLU 50 HB1 GLU 50 9.078 4.768 -1.997 409 HG2 GLU 50 HG2 GLU 50 9.853 5.177 -4.861 410 HG3 GLU 50 HG1 GLU 50 8.928 6.313 -3.883 411 H LEU 51 HN LEU 51 8.031 2.196 -4.068 412 HA LEU 51 HA LEU 51 6.953 0.876 -1.803 413 HB2 LEU 51 HB2 LEU 51 5.526 1.944 -3.520 414 HB3 LEU 51 HB1 LEU 51 6.120 0.799 -4.696 415 HG LEU 51 HG LEU 51 5.110 -1.025 -3.286 416 HD11 LEU 51 HD11 LEU 51 4.902 0.147 -1.193 417 HD12 LEU 51 HD12 LEU 51 3.324 -0.411 -1.742 418 HD13 LEU 51 HD13 LEU 51 3.766 1.287 -1.914 419 HD21 LEU 51 HD21 LEU 51 3.270 1.041 -4.473 420 HD22 LEU 51 HD22 LEU 51 2.843 -0.633 -4.122 421 HD23 LEU 51 HD23 LEU 51 4.072 -0.273 -5.334 422 H GLY 52 HN GLY 52 9.444 0.194 -3.832 423 HA2 GLY 52 HA2 GLY 52 9.107 -2.634 -4.255 424 HA3 GLY 52 HA1 GLY 52 10.590 -1.706 -4.468 425 H ASP 53 HN ASP 53 10.985 -0.566 -2.053 426 HA ASP 53 HA ASP 53 12.007 -2.573 -0.327 427 HB2 ASP 53 HB2 ASP 53 10.927 0.123 0.601 428 HB3 ASP 53 HB1 ASP 53 12.110 -0.865 1.428 429 H ARG 54 HN ARG 54 9.096 -0.683 -0.376 430 HA ARG 54 HA ARG 54 7.883 -2.140 1.672 431 HB2 ARG 54 HB2 ARG 54 6.918 0.019 -0.076 432 HB3 ARG 54 HB1 ARG 54 5.693 -1.001 0.676 433 HG2 ARG 54 HG2 ARG 54 6.702 -0.525 2.874 434 HG3 ARG 54 HG1 ARG 54 7.862 0.543 2.088 435 HD2 ARG 54 HD2 ARG 54 6.258 2.107 1.557 436 HD3 ARG 54 HD1 ARG 54 4.916 0.981 1.707 437 HE ARG 54 HE ARG 54 6.384 1.429 4.178 438 HH11 ARG 54 HH11 ARG 54 3.673 2.744 2.271 439 HH12 ARG 54 HH12 ARG 54 2.933 3.468 3.630 440 HH21 ARG 54 HH21 ARG 54 5.391 2.368 5.934 441 HH22 ARG 54 HH22 ARG 54 3.949 3.267 5.792 442 H ILE 55 HN ILE 55 8.242 -3.126 -1.563 443 HA ILE 55 HA ILE 55 5.904 -4.765 -1.736 444 HB ILE 55 HB ILE 55 8.588 -4.998 -3.167 445 HG12 ILE 55 HG12 ILE 55 5.854 -4.268 -4.220 446 HG13 ILE 55 HG11 ILE 55 7.130 -3.124 -3.864 447 HG21 ILE 55 HG21 ILE 55 7.600 -6.710 -4.639 448 HG22 ILE 55 HG22 ILE 55 6.158 -6.733 -3.622 449 HG23 ILE 55 HG23 ILE 55 7.710 -7.250 -2.962 450 HD11 ILE 55 HD11 ILE 55 6.988 -3.539 -6.252 451 HD12 ILE 55 HD12 ILE 55 7.205 -5.267 -5.982 452 HD13 ILE 55 HD13 ILE 55 8.521 -4.154 -5.626 453 H ALA 56 HN ALA 56 9.217 -5.299 -0.777 454 HA ALA 56 HA ALA 56 8.956 -8.002 -0.057 455 HB1 ALA 56 HB1 ALA 56 11.109 -6.856 -0.249 456 HB2 ALA 56 HB2 ALA 56 10.930 -7.655 1.312 457 HB3 ALA 56 HB3 ALA 56 10.719 -5.904 1.185 458 H GLN 57 HN GLN 57 8.675 -5.073 1.897 459 HA GLN 57 HA GLN 57 7.811 -6.463 4.198 460 HB2 GLN 57 HB2 GLN 57 8.864 -4.299 4.420 461 HB3 GLN 57 HB1 GLN 57 7.589 -3.536 3.492 462 HG2 GLN 57 HG2 GLN 57 7.448 -3.159 5.964 463 HG3 GLN 57 HG1 GLN 57 6.008 -3.841 5.213 464 HE21 GLN 57 HE21 GLN 57 5.283 -4.654 7.173 465 HE22 GLN 57 HE22 GLN 57 6.007 -6.019 7.942 466 H PHE 58 HN PHE 58 6.160 -5.542 1.361 467 HA PHE 58 HA PHE 58 3.577 -5.422 2.524 468 HB2 PHE 58 HB2 PHE 58 4.207 -4.386 0.306 469 HB3 PHE 58 HB1 PHE 58 4.256 -6.008 -0.360 470 HD1 PHE 58 HD1 PHE 58 1.838 -4.206 1.865 471 HD2 PHE 58 HD2 PHE 58 2.497 -6.346 -1.744 472 HE1 PHE 58 HE1 PHE 58 -0.542 -4.015 1.325 473 HE2 PHE 58 HE2 PHE 58 0.134 -6.166 -2.288 474 HZ PHE 58 HZ PHE 58 -1.409 -4.999 -0.755 475 H TYR 59 HN TYR 59 5.586 -7.944 1.100 476 HA TYR 59 HA TYR 59 3.647 -9.985 1.179 477 HB2 TYR 59 HB2 TYR 59 6.627 -10.124 1.605 478 HB3 TYR 59 HB1 TYR 59 5.602 -11.545 1.599 479 HD1 TYR 59 HD2 TYR 59 4.119 -11.816 -0.549 480 HD2 TYR 59 HD1 TYR 59 7.650 -9.478 -0.323 481 HE1 TYR 59 HE2 TYR 59 4.405 -12.030 -2.983 482 HE2 TYR 59 HE1 TYR 59 7.955 -9.676 -2.748 483 HH TYR 59 HH TYR 59 5.549 -10.832 -4.821 484 H THR 60 HN THR 60 6.013 -8.923 3.575 485 HA THR 60 HA THR 60 5.274 -10.647 5.616 486 HB THR 60 HB THR 60 6.308 -7.821 5.876 487 HG1 THR 60 HG1 THR 60 8.357 -8.819 5.689 488 HG21 THR 60 HG21 THR 60 5.579 -8.798 8.004 489 HG22 THR 60 HG22 THR 60 7.341 -8.698 7.948 490 HG23 THR 60 HG23 THR 60 6.533 -10.241 7.682 491 H ASP 61 HN ASP 61 4.149 -7.309 5.075 492 HA ASP 61 HA ASP 61 2.452 -7.219 7.339 493 HB2 ASP 61 HB2 ASP 61 3.463 -5.216 6.448 494 HB3 ASP 61 HB1 ASP 61 2.634 -5.436 4.916 495 H LEU 62 HN LEU 62 1.804 -7.787 3.918 496 HA LEU 62 HA LEU 62 -1.007 -7.692 4.141 497 HB2 LEU 62 HB2 LEU 62 0.197 -7.381 2.042 498 HB3 LEU 62 HB1 LEU 62 0.757 -9.029 2.102 499 HG LEU 62 HG LEU 62 -1.503 -9.834 1.731 500 HD11 LEU 62 HD11 LEU 62 -2.729 -8.007 2.839 501 HD12 LEU 62 HD12 LEU 62 -3.289 -8.227 1.183 502 HD13 LEU 62 HD13 LEU 62 -2.205 -6.894 1.576 503 HD21 LEU 62 HD21 LEU 62 -0.062 -9.374 -0.158 504 HD22 LEU 62 HD22 LEU 62 -0.624 -7.703 -0.202 505 HD23 LEU 62 HD23 LEU 62 -1.742 -9.022 -0.556 506 H ASN 63 HN ASN 63 1.337 -10.256 4.579 507 HA ASN 63 HA ASN 63 -0.735 -12.255 4.715 508 HB2 ASN 63 HB2 ASN 63 2.256 -12.464 5.016 509 HB3 ASN 63 HB1 ASN 63 1.203 -13.810 5.424 510 HD21 ASN 63 HD21 ASN 63 2.568 -11.935 2.883 511 HD22 ASN 63 HD22 ASN 63 2.036 -12.916 1.560 512 H ILE 64 HN ILE 64 0.219 -9.985 6.921 513 HA ILE 64 HA ILE 64 -0.581 -11.796 9.095 514 HB ILE 64 HB ILE 64 0.403 -10.214 10.730 515 HG12 ILE 64 HG12 ILE 64 1.483 -8.774 8.299 516 HG13 ILE 64 HG11 ILE 64 0.255 -8.157 9.394 517 HG21 ILE 64 HG21 ILE 64 2.342 -11.185 8.649 518 HG22 ILE 64 HG22 ILE 64 1.710 -12.104 10.017 519 HG23 ILE 64 HG23 ILE 64 2.760 -10.717 10.299 520 HD11 ILE 64 HD11 ILE 64 3.127 -8.734 10.103 521 HD12 ILE 64 HD12 ILE 64 1.899 -8.116 11.208 522 HD13 ILE 64 HD13 ILE 64 2.421 -7.139 9.835 523 H ASP 65 HN ASP 65 -1.919 -9.795 7.092 524 HA ASP 65 HA ASP 65 -3.477 -8.083 8.811 525 HB2 ASP 65 HB2 ASP 65 -3.070 -7.351 6.533 526 HB3 ASP 65 HB1 ASP 65 -3.772 -8.836 5.896 527 H GLY 66 HN GLY 66 -5.926 -8.241 8.910 528 HA2 GLY 66 HA2 GLY 66 -6.717 -11.068 8.959 529 HA3 GLY 66 HA1 GLY 66 -7.118 -9.930 10.259 530 H ARG 67 HN ARG 67 -7.355 -8.660 6.988 531 HA ARG 67 HA ARG 67 -10.243 -9.333 7.000 532 HB2 ARG 67 HB2 ARG 67 -9.198 -6.662 6.038 533 HB3 ARG 67 HB1 ARG 67 -10.873 -7.146 6.252 534 HG2 ARG 67 HG2 ARG 67 -10.752 -6.087 8.202 535 HG3 ARG 67 HG1 ARG 67 -9.831 -7.489 8.758 536 HD2 ARG 67 HD2 ARG 67 -8.460 -5.680 9.317 537 HD3 ARG 67 HD1 ARG 67 -7.786 -6.256 7.794 538 HE ARG 67 HE ARG 67 -9.786 -4.203 7.587 539 HH11 ARG 67 HH11 ARG 67 -6.293 -4.933 7.310 540 HH12 ARG 67 HH12 ARG 67 -5.899 -3.274 7.085 541 HH21 ARG 67 HH21 ARG 67 -9.129 -1.988 7.209 542 HH22 ARG 67 HH22 ARG 67 -7.468 -1.611 7.040 543 H PHE 68 HN PHE 68 -7.343 -8.869 5.210 544 HA PHE 68 HA PHE 68 -8.344 -8.893 2.640 545 HB2 PHE 68 HB2 PHE 68 -5.759 -9.173 3.911 546 HB3 PHE 68 HB1 PHE 68 -5.898 -10.093 2.412 547 HD1 PHE 68 HD2 PHE 68 -6.311 -6.702 3.871 548 HD2 PHE 68 HD1 PHE 68 -5.825 -9.063 0.381 549 HE1 PHE 68 HE2 PHE 68 -5.981 -4.659 2.526 550 HE2 PHE 68 HE1 PHE 68 -5.499 -7.060 -0.954 551 HZ PHE 68 HZ PHE 68 -5.576 -4.868 0.078 552 H LEU 69 HN LEU 69 -7.936 -10.484 1.045 553 HA LEU 69 HA LEU 69 -8.365 -13.251 1.868 554 HB2 LEU 69 HB2 LEU 69 -10.541 -12.233 1.478 555 HB3 LEU 69 HB1 LEU 69 -10.014 -11.639 -0.062 556 HG LEU 69 HG LEU 69 -9.771 -13.987 -0.857 557 HD11 LEU 69 HD11 LEU 69 -10.885 -15.766 0.398 558 HD12 LEU 69 HD12 LEU 69 -11.114 -14.660 1.753 559 HD13 LEU 69 HD13 LEU 69 -9.486 -15.118 1.249 560 HD21 LEU 69 HD21 LEU 69 -12.501 -13.194 0.130 561 HD22 LEU 69 HD22 LEU 69 -12.160 -14.353 -1.155 562 HD23 LEU 69 HD23 LEU 69 -11.742 -12.652 -1.366 563 H ALA 70 HN ALA 70 -7.097 -14.521 0.667 564 HA ALA 70 HA ALA 70 -5.998 -13.472 -1.833 565 HB1 ALA 70 HB1 ALA 70 -4.335 -14.372 -0.278 566 HB2 ALA 70 HB2 ALA 70 -4.449 -15.427 -1.687 567 HB3 ALA 70 HB3 ALA 70 -5.228 -15.886 -0.169 568 H LEU 71 HN LEU 71 -7.417 -13.815 -3.379 569 HA LEU 71 HA LEU 71 -9.301 -15.891 -3.186 570 HB2 LEU 71 HB2 LEU 71 -8.861 -13.923 -5.411 571 HB3 LEU 71 HB1 LEU 71 -10.160 -15.094 -5.389 572 HG LEU 71 HG LEU 71 -10.841 -13.984 -3.159 573 HD11 LEU 71 HD11 LEU 71 -9.131 -11.784 -4.274 574 HD12 LEU 71 HD12 LEU 71 -8.869 -12.659 -2.763 575 HD13 LEU 71 HD13 LEU 71 -10.284 -11.624 -2.951 576 HD21 LEU 71 HD21 LEU 71 -12.131 -12.284 -4.325 577 HD22 LEU 71 HD22 LEU 71 -12.125 -13.839 -5.163 578 HD23 LEU 71 HD23 LEU 71 -11.119 -12.516 -5.755 579 H SER 72 HN SER 72 -7.366 -15.474 -6.255 580 HA SER 72 HA SER 72 -7.693 -18.370 -6.316 581 HB2 SER 72 HB2 SER 72 -8.662 -17.113 -8.184 582 HB3 SER 72 HB1 SER 72 -7.056 -16.540 -8.627 583 HG SER 72 HG SER 72 -7.578 -19.284 -8.377 584 H ASP 73 HN ASP 73 -4.963 -16.275 -7.499 585 HA ASP 73 HA ASP 73 -3.205 -18.542 -6.586 586 HB2 ASP 73 HB2 ASP 73 -3.153 -18.520 -8.958 587 HB3 ASP 73 HB1 ASP 73 -3.022 -16.773 -9.017 588 H GLN 74 HN GLN 74 -3.783 -15.295 -6.527 589 HA GLN 74 HA GLN 74 -2.488 -14.484 -4.315 590 HB2 GLN 74 HB2 GLN 74 -0.606 -13.008 -5.310 591 HB3 GLN 74 HB1 GLN 74 -0.253 -14.695 -5.058 592 HG2 GLN 74 HG2 GLN 74 0.658 -13.637 -7.154 593 HG3 GLN 74 HG1 GLN 74 -0.234 -15.131 -7.383 594 HE21 GLN 74 HE21 GLN 74 -1.956 -15.117 -8.620 595 HE22 GLN 74 HE22 GLN 74 -2.578 -13.762 -9.508 596 H THR 75 HN THR 75 -4.736 -14.219 -6.150 597 HA THR 75 HA THR 75 -4.824 -11.486 -6.911 598 HB THR 75 HB THR 75 -7.189 -13.266 -6.575 599 HG1 THR 75 HG1 THR 75 -6.094 -13.876 -8.911 600 HG21 THR 75 HG21 THR 75 -7.758 -12.307 -8.764 601 HG22 THR 75 HG22 THR 75 -6.171 -11.548 -8.850 602 HG23 THR 75 HG23 THR 75 -7.330 -11.029 -7.627 603 H TRP 76 HN TRP 76 -5.060 -10.046 -5.189 604 HA TRP 76 HA TRP 76 -6.170 -11.186 -2.785 605 HB2 TRP 76 HB2 TRP 76 -4.582 -8.653 -3.230 606 HB3 TRP 76 HB1 TRP 76 -5.284 -9.120 -1.685 607 HD1 TRP 76 HD1 TRP 76 -2.404 -9.946 -4.035 608 HE1 TRP 76 HE1 TRP 76 -0.752 -11.506 -2.842 609 HE3 TRP 76 HE3 TRP 76 -5.128 -10.951 0.182 610 HZ2 TRP 76 HZ2 TRP 76 -0.603 -12.958 -0.423 611 HZ3 TRP 76 HZ3 TRP 76 -4.148 -12.420 1.890 612 HH2 TRP 76 HH2 TRP 76 -1.935 -13.403 1.594 613 H GLY 77 HN GLY 77 -7.434 -9.652 -1.489 614 HA2 GLY 77 HA2 GLY 77 -8.909 -7.605 -2.565 615 HA3 GLY 77 HA1 GLY 77 -9.793 -9.113 -2.837 616 H LEU 78 HN LEU 78 -11.360 -8.538 -1.397 617 HA LEU 78 HA LEU 78 -10.512 -8.484 1.419 618 HB2 LEU 78 HB2 LEU 78 -12.819 -6.955 0.206 619 HB3 LEU 78 HB1 LEU 78 -12.335 -6.934 1.887 620 HG LEU 78 HG LEU 78 -10.761 -5.809 -0.429 621 HD11 LEU 78 HD11 LEU 78 -12.708 -4.480 0.098 622 HD12 LEU 78 HD12 LEU 78 -11.234 -3.642 0.587 623 HD13 LEU 78 HD13 LEU 78 -12.242 -4.432 1.799 624 HD21 LEU 78 HD21 LEU 78 -9.262 -4.892 1.294 625 HD22 LEU 78 HD22 LEU 78 -9.256 -6.655 1.286 626 HD23 LEU 78 HD23 LEU 78 -10.145 -5.785 2.532 627 H ARG 79 HN ARG 79 -11.535 -9.985 2.640 628 HA ARG 79 HA ARG 79 -13.386 -11.689 1.263 629 HB2 ARG 79 HB2 ARG 79 -13.427 -13.052 3.265 630 HB3 ARG 79 HB1 ARG 79 -11.793 -12.745 2.759 631 HG2 ARG 79 HG2 ARG 79 -11.763 -10.920 4.509 632 HG3 ARG 79 HG1 ARG 79 -13.271 -11.641 5.101 633 HD2 ARG 79 HD2 ARG 79 -12.128 -13.829 5.130 634 HD3 ARG 79 HD1 ARG 79 -10.636 -13.000 4.732 635 HE ARG 79 HE ARG 79 -12.176 -12.530 7.169 636 HH11 ARG 79 HH11 ARG 79 -9.064 -12.439 5.462 637 HH12 ARG 79 HH12 ARG 79 -8.134 -12.617 6.858 638 HH21 ARG 79 HH21 ARG 79 -10.923 -12.797 9.037 639 HH22 ARG 79 HH22 ARG 79 -9.188 -12.820 8.989 640 H SER 80 HN SER 80 -13.722 -8.869 2.791 641 HA SER 80 HA SER 80 -16.126 -9.111 4.211 642 HB2 SER 80 HB2 SER 80 -14.987 -6.668 2.898 643 HB3 SER 80 HB1 SER 80 -15.878 -6.787 4.421 644 HG SER 80 HG SER 80 -14.080 -8.068 5.214 645 H TRP 81 HN TRP 81 -15.714 -9.665 1.011 646 HA TRP 81 HA TRP 81 -18.120 -8.258 0.107 647 HB2 TRP 81 HB2 TRP 81 -16.180 -9.970 -1.451 648 HB3 TRP 81 HB1 TRP 81 -17.589 -9.177 -2.123 649 HD1 TRP 81 HD1 TRP 81 -17.175 -6.252 -0.978 650 HE1 TRP 81 HE1 TRP 81 -15.254 -4.812 -1.871 651 HE3 TRP 81 HE3 TRP 81 -14.177 -10.001 -2.738 652 HZ2 TRP 81 HZ2 TRP 81 -12.768 -5.225 -3.198 653 HZ3 TRP 81 HZ3 TRP 81 -12.050 -9.391 -3.834 654 HH2 TRP 81 HH2 TRP 81 -11.362 -7.056 -4.050 655 H TYR 82 HN TYR 82 -17.112 -11.346 1.258 656 HA TYR 82 HA TYR 82 -19.519 -12.587 0.103 657 HB2 TYR 82 HB2 TYR 82 -16.795 -13.892 0.207 658 HB3 TYR 82 HB1 TYR 82 -18.257 -14.596 -0.442 659 HD1 TYR 82 HD2 TYR 82 -19.231 -13.606 -2.554 660 HD2 TYR 82 HD1 TYR 82 -15.355 -12.583 -1.141 661 HE1 TYR 82 HE2 TYR 82 -18.625 -12.787 -4.790 662 HE2 TYR 82 HE1 TYR 82 -14.746 -11.782 -3.369 663 HH TYR 82 HH TYR 82 -15.476 -12.194 -5.701 Start of MODEL 2 1 H1 GLY 2 HT1 GLY 2 -12.892 5.621 -3.254 2 H2 GLY 2 HT2 GLY 2 -11.604 4.613 -2.790 3 H3 GLY 2 HT3 GLY 2 -12.023 4.802 -4.447 4 HA2 GLY 2 HA1 GLY 2 -11.330 7.105 -4.382 5 HA3 GLY 2 HA2 GLY 2 -11.060 6.902 -2.664 6 H ILE 3 HN ILE 3 -9.094 7.109 -2.383 7 HA ILE 3 HA ILE 3 -6.889 6.941 -2.354 8 HB ILE 3 HB ILE 3 -7.609 4.320 -2.440 9 HG12 ILE 3 HG12 ILE 3 -5.213 3.722 -2.066 10 HG13 ILE 3 HG11 ILE 3 -4.771 5.355 -2.540 11 HG21 ILE 3 HG21 ILE 3 -7.480 4.076 -4.858 12 HG22 ILE 3 HG22 ILE 3 -6.262 3.073 -4.066 13 HG23 ILE 3 HG23 ILE 3 -5.792 4.590 -4.834 14 HD11 ILE 3 HD11 ILE 3 -6.058 6.241 -0.640 15 HD12 ILE 3 HD12 ILE 3 -4.815 5.109 -0.125 16 HD13 ILE 3 HD13 ILE 3 -6.496 4.597 -0.188 17 H LYS 4 HN LYS 4 -8.265 6.418 -5.419 18 HA LYS 4 HA LYS 4 -6.206 6.792 -7.258 19 HB2 LYS 4 HB2 LYS 4 -8.066 7.127 -8.829 20 HB3 LYS 4 HB1 LYS 4 -8.279 5.729 -7.779 21 HG2 LYS 4 HG2 LYS 4 -9.732 7.149 -6.317 22 HG3 LYS 4 HG1 LYS 4 -9.627 8.410 -7.540 23 HD2 LYS 4 HD2 LYS 4 -10.683 6.951 -9.166 24 HD3 LYS 4 HD1 LYS 4 -10.706 5.631 -7.992 25 HE2 LYS 4 HE2 LYS 4 -12.101 7.035 -6.502 26 HE3 LYS 4 HE1 LYS 4 -12.164 8.262 -7.764 27 HZ1 LYS 4 HZ1 LYS 4 -13.154 5.480 -8.000 28 HZ2 LYS 4 HZ2 LYS 4 -13.302 6.695 -9.186 29 HZ3 LYS 4 HZ3 LYS 4 -14.102 6.841 -7.702 30 H GLN 5 HN GLN 5 -6.643 9.121 -5.212 31 HA GLN 5 HA GLN 5 -6.169 11.207 -7.208 32 HB2 GLN 5 HB2 GLN 5 -7.648 12.815 -6.010 33 HB3 GLN 5 HB1 GLN 5 -8.500 11.516 -6.831 34 HG2 GLN 5 HG2 GLN 5 -9.031 10.447 -4.849 35 HG3 GLN 5 HG1 GLN 5 -7.857 11.326 -3.896 36 HE21 GLN 5 HE21 GLN 5 -10.949 11.393 -5.380 37 HE22 GLN 5 HE22 GLN 5 -11.530 12.809 -4.594 38 H TYR 6 HN TYR 6 -5.207 9.728 -4.445 39 HA TYR 6 HA TYR 6 -4.415 12.139 -3.057 40 HB2 TYR 6 HB2 TYR 6 -3.874 9.265 -2.355 41 HB3 TYR 6 HB1 TYR 6 -3.521 10.659 -1.339 42 HD1 TYR 6 HD1 TYR 6 -5.930 12.299 -1.566 43 HD2 TYR 6 HD2 TYR 6 -5.537 8.084 -1.327 44 HE1 TYR 6 HE1 TYR 6 -8.180 12.154 -0.612 45 HE2 TYR 6 HE2 TYR 6 -7.806 7.926 -0.375 46 HH TYR 6 HH TYR 6 -9.322 9.330 0.827 47 H SER 7 HN SER 7 -2.250 12.546 -2.348 48 HA SER 7 HA SER 7 -0.284 11.933 -4.416 49 HB2 SER 7 HB2 SER 7 0.868 13.902 -3.346 50 HB3 SER 7 HB1 SER 7 -0.671 14.281 -4.108 51 HG SER 7 HG SER 7 -0.125 15.038 -1.854 52 H GLN 8 HN GLN 8 2.021 12.221 -3.290 53 HA GLN 8 HA GLN 8 2.543 9.678 -2.354 54 HB2 GLN 8 HB2 GLN 8 4.179 11.262 -3.381 55 HB3 GLN 8 HB1 GLN 8 4.277 12.063 -1.812 56 HG2 GLN 8 HG2 GLN 8 4.781 9.784 -0.863 57 HG3 GLN 8 HG1 GLN 8 4.969 9.265 -2.503 58 HE21 GLN 8 HE21 GLN 8 6.652 10.147 -3.796 59 HE22 GLN 8 HE22 GLN 8 8.052 10.843 -3.079 60 H GLU 9 HN GLU 9 2.487 12.713 -0.546 61 HA GLU 9 HA GLU 9 3.395 11.837 1.910 62 HB2 GLU 9 HB2 GLU 9 2.326 13.822 2.874 63 HB3 GLU 9 HB1 GLU 9 3.113 14.216 1.356 64 HG2 GLU 9 HG2 GLU 9 0.951 14.208 0.216 65 HG3 GLU 9 HG1 GLU 9 0.160 13.732 1.709 66 H GLU 10 HN GLU 10 0.221 11.804 0.633 67 HA GLU 10 HA GLU 10 -1.281 11.317 2.930 68 HB2 GLU 10 HB2 GLU 10 -2.001 12.109 0.685 69 HB3 GLU 10 HB1 GLU 10 -1.827 10.469 0.081 70 HG2 GLU 10 HG2 GLU 10 -4.152 10.858 0.603 71 HG3 GLU 10 HG1 GLU 10 -3.507 9.796 1.856 72 H LEU 11 HN LEU 11 -0.125 9.123 0.438 73 HA LEU 11 HA LEU 11 -1.171 6.780 1.691 74 HB2 LEU 11 HB2 LEU 11 0.926 7.053 -0.413 75 HB3 LEU 11 HB1 LEU 11 0.000 5.613 -0.046 76 HG LEU 11 HG LEU 11 -1.040 8.166 -1.245 77 HD11 LEU 11 HD11 LEU 11 -0.635 5.415 -2.364 78 HD12 LEU 11 HD12 LEU 11 0.334 6.854 -2.681 79 HD13 LEU 11 HD13 LEU 11 -1.353 6.796 -3.208 80 HD21 LEU 11 HD21 LEU 11 -3.144 6.936 -1.525 81 HD22 LEU 11 HD22 LEU 11 -2.735 7.145 0.177 82 HD23 LEU 11 HD23 LEU 11 -2.471 5.588 -0.609 83 H LYS 12 HN LYS 12 1.853 8.435 1.534 84 HA LYS 12 HA LYS 12 3.588 6.363 2.203 85 HB2 LYS 12 HB2 LYS 12 3.901 8.768 1.212 86 HB3 LYS 12 HB1 LYS 12 4.196 9.176 2.894 87 HG2 LYS 12 HG2 LYS 12 5.984 7.519 2.974 88 HG3 LYS 12 HG1 LYS 12 5.630 7.128 1.283 89 HD2 LYS 12 HD2 LYS 12 6.132 9.438 0.655 90 HD3 LYS 12 HD1 LYS 12 6.534 9.791 2.335 91 HE2 LYS 12 HE2 LYS 12 8.355 8.224 2.271 92 HE3 LYS 12 HE1 LYS 12 7.912 7.723 0.638 93 HZ1 LYS 12 HZ1 LYS 12 8.864 10.408 1.454 94 HZ2 LYS 12 HZ2 LYS 12 8.339 10.008 -0.087 95 HZ3 LYS 12 HZ3 LYS 12 9.709 9.275 0.536 96 H GLU 13 HN GLU 13 1.839 8.662 4.206 97 HA GLU 13 HA GLU 13 3.203 7.540 6.483 98 HB2 GLU 13 HB2 GLU 13 2.129 9.482 7.736 99 HB3 GLU 13 HB1 GLU 13 3.438 9.849 6.611 100 HG2 GLU 13 HG2 GLU 13 1.511 10.360 4.995 101 HG3 GLU 13 HG1 GLU 13 0.508 10.379 6.450 102 H MET 14 HN MET 14 0.634 6.633 4.913 103 HA MET 14 HA MET 14 -0.817 5.928 7.362 104 HB2 MET 14 HB2 MET 14 -1.769 5.830 4.488 105 HB3 MET 14 HB1 MET 14 -2.686 5.198 5.844 106 HG2 MET 14 HG2 MET 14 -2.698 7.502 6.811 107 HG3 MET 14 HG1 MET 14 -1.951 8.070 5.321 108 HE1 MET 14 HE1 MET 14 -3.141 7.857 2.910 109 HE2 MET 14 HE2 MET 14 -4.777 7.245 2.676 110 HE3 MET 14 HE3 MET 14 -3.487 6.144 3.158 111 H ALA 15 HN ALA 15 -1.908 3.644 7.086 112 HA ALA 15 HA ALA 15 0.268 1.831 7.030 113 HB1 ALA 15 HB1 ALA 15 -1.545 1.649 8.631 114 HB2 ALA 15 HB2 ALA 15 -1.446 0.178 7.664 115 HB3 ALA 15 HB3 ALA 15 -2.685 1.382 7.326 116 H LEU 16 HN LEU 16 0.801 0.400 5.562 117 HA LEU 16 HA LEU 16 -0.011 0.979 2.933 118 HB2 LEU 16 HB2 LEU 16 1.625 -0.745 2.153 119 HB3 LEU 16 HB1 LEU 16 2.289 0.563 3.096 120 HG LEU 16 HG LEU 16 1.794 -2.209 4.249 121 HD11 LEU 16 HD11 LEU 16 3.361 -2.305 2.341 122 HD12 LEU 16 HD12 LEU 16 4.160 -2.615 3.879 123 HD13 LEU 16 HD13 LEU 16 4.327 -1.042 3.102 124 HD21 LEU 16 HD21 LEU 16 3.534 -1.486 5.858 125 HD22 LEU 16 HD22 LEU 16 2.095 -0.505 5.982 126 HD23 LEU 16 HD23 LEU 16 3.517 0.120 5.141 127 H VAL 17 HN VAL 17 -0.759 -1.756 5.013 128 HA VAL 17 HA VAL 17 -2.068 -3.185 2.941 129 HB VAL 17 HB VAL 17 -1.369 -4.210 5.150 130 HG11 VAL 17 HG11 VAL 17 -2.171 -2.526 6.695 131 HG12 VAL 17 HG12 VAL 17 -2.877 -4.096 7.071 132 HG13 VAL 17 HG13 VAL 17 -3.836 -2.877 6.236 133 HG21 VAL 17 HG21 VAL 17 -2.819 -5.444 3.655 134 HG22 VAL 17 HG22 VAL 17 -4.238 -4.643 4.331 135 HG23 VAL 17 HG23 VAL 17 -3.289 -5.745 5.328 136 H GLU 18 HN GLU 18 -2.968 -0.518 4.932 137 HA GLU 18 HA GLU 18 -5.750 -0.790 4.379 138 HB2 GLU 18 HB2 GLU 18 -4.294 1.583 5.546 139 HB3 GLU 18 HB1 GLU 18 -6.039 1.334 5.547 140 HG2 GLU 18 HG2 GLU 18 -5.625 -0.799 6.790 141 HG3 GLU 18 HG1 GLU 18 -3.960 -0.283 6.981 142 H ILE 19 HN ILE 19 -3.083 1.037 3.058 143 HA ILE 19 HA ILE 19 -4.442 2.638 1.190 144 HB ILE 19 HB ILE 19 -1.841 1.132 0.716 145 HG12 ILE 19 HG12 ILE 19 -2.209 3.960 1.730 146 HG13 ILE 19 HG11 ILE 19 -1.779 2.583 2.740 147 HG21 ILE 19 HG21 ILE 19 -1.350 2.919 -0.925 148 HG22 ILE 19 HG22 ILE 19 -2.976 3.561 -0.669 149 HG23 ILE 19 HG23 ILE 19 -2.763 1.955 -1.358 150 HD11 ILE 19 HD11 ILE 19 -0.150 3.668 0.455 151 HD12 ILE 19 HD12 ILE 19 0.299 2.309 1.471 152 HD13 ILE 19 HD13 ILE 19 0.174 3.926 2.167 153 H ALA 20 HN ALA 20 -3.266 -0.670 0.963 154 HA ALA 20 HA ALA 20 -4.253 -1.270 -1.588 155 HB1 ALA 20 HB1 ALA 20 -3.906 -3.609 -0.973 156 HB2 ALA 20 HB2 ALA 20 -3.736 -3.142 0.719 157 HB3 ALA 20 HB3 ALA 20 -2.542 -2.613 -0.465 158 H HIS 21 HN HIS 21 -5.648 -1.772 1.650 159 HA HIS 21 HA HIS 21 -8.004 -3.021 0.967 160 HB2 HIS 21 HB2 HIS 21 -7.368 -2.688 3.294 161 HB3 HIS 21 HB1 HIS 21 -7.510 -0.938 3.067 162 HD1 HIS 21 HD1 HIS 21 -9.847 0.097 3.320 163 HD2 HIS 21 HD2 HIS 21 -9.872 -4.059 3.537 164 HE1 HIS 21 HE1 HIS 21 -12.145 -0.527 4.054 165 HE2 HIS 21 HE2 HIS 21 -12.064 -3.010 4.397 166 H GLU 22 HN GLU 22 -7.409 0.514 1.071 167 HA GLU 22 HA GLU 22 -10.013 1.266 0.297 168 HB2 GLU 22 HB2 GLU 22 -7.472 2.745 -0.321 169 HB3 GLU 22 HB1 GLU 22 -9.074 3.453 -0.219 170 HG2 GLU 22 HG2 GLU 22 -7.304 2.470 2.010 171 HG3 GLU 22 HG1 GLU 22 -7.957 4.083 1.768 172 H LEU 23 HN LEU 23 -7.108 0.600 -1.513 173 HA LEU 23 HA LEU 23 -7.905 1.320 -4.086 174 HB2 LEU 23 HB2 LEU 23 -5.628 0.830 -3.396 175 HB3 LEU 23 HB1 LEU 23 -6.052 -0.840 -3.131 176 HG LEU 23 HG LEU 23 -6.306 -1.184 -5.548 177 HD11 LEU 23 HD11 LEU 23 -5.707 0.594 -7.098 178 HD12 LEU 23 HD12 LEU 23 -5.495 1.722 -5.761 179 HD13 LEU 23 HD13 LEU 23 -7.098 1.083 -6.133 180 HD21 LEU 23 HD21 LEU 23 -4.181 -1.475 -4.460 181 HD22 LEU 23 HD22 LEU 23 -3.814 0.229 -4.707 182 HD23 LEU 23 HD23 LEU 23 -3.960 -0.855 -6.104 183 H PHE 24 HN PHE 24 -8.180 -1.789 -2.425 184 HA PHE 24 HA PHE 24 -9.504 -3.056 -4.603 185 HB2 PHE 24 HB2 PHE 24 -9.108 -3.846 -1.737 186 HB3 PHE 24 HB1 PHE 24 -10.108 -4.797 -2.832 187 HD1 PHE 24 HD2 PHE 24 -6.714 -3.397 -2.436 188 HD2 PHE 24 HD1 PHE 24 -9.162 -6.339 -4.228 189 HE1 PHE 24 HE2 PHE 24 -4.713 -4.524 -3.302 190 HE2 PHE 24 HE1 PHE 24 -7.178 -7.479 -5.085 191 HZ PHE 24 HZ PHE 24 -4.966 -6.588 -4.642 192 H GLU 25 HN GLU 25 -10.585 -1.422 -1.704 193 HA GLU 25 HA GLU 25 -13.307 -2.116 -1.910 194 HB2 GLU 25 HB2 GLU 25 -12.003 -1.078 0.067 195 HB3 GLU 25 HB1 GLU 25 -12.235 0.459 -0.746 196 HG2 GLU 25 HG2 GLU 25 -13.902 0.181 0.959 197 HG3 GLU 25 HG1 GLU 25 -14.664 0.117 -0.632 198 H GLU 26 HN GLU 26 -11.327 0.379 -3.320 199 HA GLU 26 HA GLU 26 -13.257 1.967 -4.593 200 HB2 GLU 26 HB2 GLU 26 -11.060 2.807 -4.459 201 HB3 GLU 26 HB1 GLU 26 -10.362 1.346 -5.126 202 HG2 GLU 26 HG2 GLU 26 -10.203 3.219 -6.686 203 HG3 GLU 26 HG1 GLU 26 -11.207 1.931 -7.336 204 H HIS 27 HN HIS 27 -11.425 -0.801 -5.799 205 HA HIS 27 HA HIS 27 -12.771 -0.636 -8.330 206 HB2 HIS 27 HB2 HIS 27 -10.756 -2.645 -7.329 207 HB3 HIS 27 HB1 HIS 27 -11.515 -2.757 -8.910 208 HD1 HIS 27 HD1 HIS 27 -10.859 -0.881 -10.659 209 HD2 HIS 27 HD2 HIS 27 -8.668 -0.818 -7.133 210 HE1 HIS 27 HE1 HIS 27 -8.877 0.576 -11.121 211 HE2 HIS 27 HE2 HIS 27 -7.412 0.197 -9.152 212 H LYS 28 HN LYS 28 -13.146 -2.657 -5.476 213 HA LYS 28 HA LYS 28 -14.668 -4.241 -4.856 214 HB2 LYS 28 HB2 LYS 28 -16.254 -3.128 -7.169 215 HB3 LYS 28 HB1 LYS 28 -16.906 -4.241 -5.978 216 HG2 LYS 28 HG2 LYS 28 -15.895 -1.465 -5.411 217 HG3 LYS 28 HG1 LYS 28 -17.585 -1.889 -5.672 218 HD2 LYS 28 HD2 LYS 28 -17.457 -3.408 -3.719 219 HD3 LYS 28 HD1 LYS 28 -15.799 -2.855 -3.440 220 HE2 LYS 28 HE2 LYS 28 -16.586 -0.576 -3.217 221 HE3 LYS 28 HE1 LYS 28 -18.238 -1.099 -3.513 222 HZ1 LYS 28 HZ1 LYS 28 -16.544 -1.905 -1.218 223 HZ2 LYS 28 HZ2 LYS 28 -18.125 -2.412 -1.478 224 HZ3 LYS 28 HZ3 LYS 28 -17.800 -0.775 -1.183 225 H LYS 29 HN LYS 29 -12.639 -4.696 -6.864 226 HA LYS 29 HA LYS 29 -13.618 -7.151 -8.041 227 HB2 LYS 29 HB2 LYS 29 -12.026 -5.004 -9.466 228 HB3 LYS 29 HB1 LYS 29 -12.286 -6.626 -10.084 229 HG2 LYS 29 HG2 LYS 29 -14.664 -6.226 -10.240 230 HG3 LYS 29 HG1 LYS 29 -14.465 -4.634 -9.507 231 HD2 LYS 29 HD2 LYS 29 -14.693 -4.439 -11.901 232 HD3 LYS 29 HD1 LYS 29 -13.077 -3.945 -11.397 233 HE2 LYS 29 HE2 LYS 29 -12.191 -6.121 -12.087 234 HE3 LYS 29 HE1 LYS 29 -13.808 -6.639 -12.562 235 HZ1 LYS 29 HZ1 LYS 29 -13.813 -4.849 -14.215 236 HZ2 LYS 29 HZ2 LYS 29 -12.524 -5.908 -14.459 237 HZ3 LYS 29 HZ3 LYS 29 -12.249 -4.419 -13.760 238 HA PRO 30 HA PRO 30 -9.738 -8.400 -6.339 239 HB2 PRO 30 HB2 PRO 30 -9.361 -10.569 -8.188 240 HB3 PRO 30 HB1 PRO 30 -10.005 -10.629 -6.560 241 HG2 PRO 30 HG2 PRO 30 -11.475 -11.118 -8.855 242 HG3 PRO 30 HG1 PRO 30 -12.156 -10.695 -7.277 243 HD2 PRO 30 HD2 PRO 30 -11.680 -8.992 -9.666 244 HD3 PRO 30 HD1 PRO 30 -13.008 -8.940 -8.491 245 H VAL 31 HN VAL 31 -7.676 -7.839 -6.642 246 HA VAL 31 HA VAL 31 -6.861 -7.128 -9.372 247 HB VAL 31 HB VAL 31 -6.042 -5.677 -6.829 248 HG11 VAL 31 HG11 VAL 31 -4.395 -5.504 -8.587 249 HG12 VAL 31 HG12 VAL 31 -5.186 -3.950 -8.331 250 HG13 VAL 31 HG13 VAL 31 -5.626 -4.947 -9.716 251 HG21 VAL 31 HG21 VAL 31 -8.064 -4.817 -8.897 252 HG22 VAL 31 HG22 VAL 31 -7.488 -3.824 -7.557 253 HG23 VAL 31 HG23 VAL 31 -8.413 -5.292 -7.236 254 HA PRO 32 HA PRO 32 -3.460 -9.967 -8.470 255 HB2 PRO 32 HB2 PRO 32 -2.104 -8.455 -10.636 256 HB3 PRO 32 HB1 PRO 32 -2.401 -10.191 -10.505 257 HG2 PRO 32 HG2 PRO 32 -3.788 -8.694 -12.219 258 HG3 PRO 32 HG1 PRO 32 -4.557 -10.021 -11.330 259 HD2 PRO 32 HD2 PRO 32 -4.700 -7.074 -10.833 260 HD3 PRO 32 HD1 PRO 32 -5.970 -8.314 -10.724 261 H PHE 33 HN PHE 33 -1.363 -9.809 -7.646 262 HA PHE 33 HA PHE 33 -0.950 -7.824 -5.781 263 HB2 PHE 33 HB2 PHE 33 0.034 -10.104 -5.713 264 HB3 PHE 33 HB1 PHE 33 1.173 -9.613 -6.973 265 HD1 PHE 33 HD2 PHE 33 0.184 -9.201 -3.468 266 HD2 PHE 33 HD1 PHE 33 3.072 -8.242 -6.442 267 HE1 PHE 33 HE2 PHE 33 1.704 -8.386 -1.723 268 HE2 PHE 33 HE1 PHE 33 4.598 -7.427 -4.705 269 HZ PHE 33 HZ PHE 33 3.914 -7.496 -2.336 270 H GLN 34 HN GLN 34 0.685 -8.193 -8.905 271 HA GLN 34 HA GLN 34 2.257 -5.888 -8.498 272 HB2 GLN 34 HB2 GLN 34 1.712 -7.528 -10.940 273 HB3 GLN 34 HB1 GLN 34 2.614 -6.019 -11.031 274 HG2 GLN 34 HG2 GLN 34 3.343 -8.297 -9.229 275 HG3 GLN 34 HG1 GLN 34 4.024 -8.055 -10.836 276 HE21 GLN 34 HE21 GLN 34 3.830 -6.813 -7.620 277 HE22 GLN 34 HE22 GLN 34 5.268 -5.852 -7.668 278 H GLU 35 HN GLU 35 -0.888 -6.348 -9.971 279 HA GLU 35 HA GLU 35 -0.860 -3.818 -11.229 280 HB2 GLU 35 HB2 GLU 35 -3.196 -5.566 -10.472 281 HB3 GLU 35 HB1 GLU 35 -3.304 -4.111 -11.451 282 HG2 GLU 35 HG2 GLU 35 -1.847 -6.649 -12.147 283 HG3 GLU 35 HG1 GLU 35 -3.335 -6.044 -12.870 284 H LEU 36 HN LEU 36 -1.937 -4.990 -8.103 285 HA LEU 36 HA LEU 36 -3.173 -2.559 -7.373 286 HB2 LEU 36 HB2 LEU 36 -3.602 -3.529 -5.279 287 HB3 LEU 36 HB1 LEU 36 -3.525 -4.908 -6.338 288 HG LEU 36 HG LEU 36 -0.996 -4.923 -5.457 289 HD11 LEU 36 HD11 LEU 36 -0.960 -4.373 -3.057 290 HD12 LEU 36 HD12 LEU 36 -2.570 -3.670 -3.216 291 HD13 LEU 36 HD13 LEU 36 -1.211 -2.962 -4.086 292 HD21 LEU 36 HD21 LEU 36 -2.673 -6.763 -5.304 293 HD22 LEU 36 HD22 LEU 36 -3.258 -6.031 -3.797 294 HD23 LEU 36 HD23 LEU 36 -1.613 -6.634 -3.905 295 H LEU 37 HN LEU 37 0.091 -3.882 -6.809 296 HA LEU 37 HA LEU 37 1.016 -1.707 -5.283 297 HB2 LEU 37 HB2 LEU 37 2.375 -3.862 -6.825 298 HB3 LEU 37 HB1 LEU 37 3.320 -2.462 -6.390 299 HG LEU 37 HG LEU 37 3.714 -4.201 -4.811 300 HD11 LEU 37 HD11 LEU 37 3.155 -3.100 -2.720 301 HD12 LEU 37 HD12 LEU 37 1.988 -2.081 -3.557 302 HD13 LEU 37 HD13 LEU 37 3.706 -1.960 -3.948 303 HD21 LEU 37 HD21 LEU 37 0.762 -4.210 -4.295 304 HD22 LEU 37 HD22 LEU 37 1.967 -5.110 -3.373 305 HD23 LEU 37 HD23 LEU 37 1.687 -5.493 -5.074 306 H ASN 38 HN ASN 38 0.972 -2.301 -8.704 307 HA ASN 38 HA ASN 38 2.497 -0.032 -9.323 308 HB2 ASN 38 HB2 ASN 38 0.752 -1.817 -10.985 309 HB3 ASN 38 HB1 ASN 38 1.569 -0.418 -11.701 310 HD21 ASN 38 HD21 ASN 38 1.913 -3.417 -11.948 311 HD22 ASN 38 HD22 ASN 38 3.574 -3.697 -11.652 312 H GLU 39 HN GLU 39 -0.972 -0.455 -8.885 313 HA GLU 39 HA GLU 39 -1.606 2.182 -9.706 314 HB2 GLU 39 HB2 GLU 39 -3.061 0.392 -7.745 315 HB3 GLU 39 HB1 GLU 39 -3.673 1.936 -8.303 316 HG2 GLU 39 HG2 GLU 39 -3.532 0.943 -10.654 317 HG3 GLU 39 HG1 GLU 39 -3.320 -0.607 -9.843 318 H ILE 40 HN ILE 40 -0.796 0.772 -6.575 319 HA ILE 40 HA ILE 40 -1.015 3.083 -5.025 320 HB ILE 40 HB ILE 40 0.924 0.763 -4.678 321 HG12 ILE 40 HG12 ILE 40 -1.736 1.348 -3.347 322 HG13 ILE 40 HG11 ILE 40 -1.460 0.141 -4.596 323 HG21 ILE 40 HG21 ILE 40 0.189 2.920 -2.687 324 HG22 ILE 40 HG22 ILE 40 1.759 2.708 -3.462 325 HG23 ILE 40 HG23 ILE 40 1.161 1.490 -2.336 326 HD11 ILE 40 HD11 ILE 40 0.005 -1.091 -3.077 327 HD12 ILE 40 HD12 ILE 40 -1.605 -0.874 -2.392 328 HD13 ILE 40 HD13 ILE 40 -0.265 0.124 -1.830 329 H ALA 41 HN ALA 41 1.737 1.838 -6.851 330 HA ALA 41 HA ALA 41 3.656 3.734 -6.197 331 HB1 ALA 41 HB1 ALA 41 3.322 2.369 -8.865 332 HB2 ALA 41 HB2 ALA 41 4.141 1.690 -7.456 333 HB3 ALA 41 HB3 ALA 41 4.794 3.124 -8.244 334 H SER 42 HN SER 42 1.125 3.873 -8.656 335 HA SER 42 HA SER 42 1.969 6.212 -9.907 336 HB2 SER 42 HB2 SER 42 -0.885 5.277 -9.528 337 HB3 SER 42 HB1 SER 42 -0.284 6.339 -10.801 338 HG SER 42 HG SER 42 1.205 4.251 -11.002 339 H LEU 43 HN LEU 43 -0.436 5.762 -7.306 340 HA LEU 43 HA LEU 43 -0.828 8.555 -6.981 341 HB2 LEU 43 HB2 LEU 43 -1.691 6.241 -5.256 342 HB3 LEU 43 HB1 LEU 43 -2.045 7.907 -4.855 343 HG LEU 43 HG LEU 43 -4.002 7.047 -5.786 344 HD11 LEU 43 HD11 LEU 43 -4.379 8.322 -7.788 345 HD12 LEU 43 HD12 LEU 43 -2.648 8.562 -7.975 346 HD13 LEU 43 HD13 LEU 43 -3.487 9.237 -6.574 347 HD21 LEU 43 HD21 LEU 43 -4.164 5.914 -7.952 348 HD22 LEU 43 HD22 LEU 43 -3.140 5.022 -6.825 349 HD23 LEU 43 HD23 LEU 43 -2.410 5.982 -8.111 350 H LEU 44 HN LEU 44 1.305 6.279 -5.483 351 HA LEU 44 HA LEU 44 2.019 7.860 -3.196 352 HB2 LEU 44 HB2 LEU 44 2.082 5.391 -3.267 353 HB3 LEU 44 HB1 LEU 44 3.343 5.459 -4.468 354 HG LEU 44 HG LEU 44 4.853 6.464 -2.760 355 HD11 LEU 44 HD11 LEU 44 3.179 7.467 -1.310 356 HD12 LEU 44 HD12 LEU 44 4.228 6.370 -0.416 357 HD13 LEU 44 HD13 LEU 44 2.600 5.859 -0.864 358 HD21 LEU 44 HD21 LEU 44 3.606 3.825 -2.017 359 HD22 LEU 44 HD22 LEU 44 5.206 4.387 -1.524 360 HD23 LEU 44 HD23 LEU 44 4.861 4.075 -3.226 361 H GLY 45 HN GLY 45 2.347 9.013 -5.819 362 HA2 GLY 45 HA2 GLY 45 3.963 9.945 -7.378 363 HA3 GLY 45 HA1 GLY 45 4.263 10.823 -5.897 364 H VAL 46 HN VAL 46 5.236 7.554 -7.110 365 HA VAL 46 HA VAL 46 8.039 8.320 -6.733 366 HB VAL 46 HB VAL 46 8.513 6.133 -5.597 367 HG11 VAL 46 HG11 VAL 46 8.551 8.172 -4.302 368 HG12 VAL 46 HG12 VAL 46 7.884 6.851 -3.343 369 HG13 VAL 46 HG13 VAL 46 6.812 8.063 -4.043 370 HG21 VAL 46 HG21 VAL 46 5.529 6.087 -5.183 371 HG22 VAL 46 HG22 VAL 46 6.679 5.006 -4.393 372 HG23 VAL 46 HG23 VAL 46 6.470 4.956 -6.146 373 H LYS 47 HN LYS 47 9.522 6.722 -7.581 374 HA LYS 47 HA LYS 47 8.475 5.281 -9.829 375 HB2 LYS 47 HB2 LYS 47 10.838 4.441 -10.125 376 HB3 LYS 47 HB1 LYS 47 10.668 6.181 -10.205 377 HG2 LYS 47 HG2 LYS 47 11.646 6.399 -7.975 378 HG3 LYS 47 HG1 LYS 47 11.710 4.639 -7.815 379 HD2 LYS 47 HD2 LYS 47 13.383 4.398 -9.346 380 HD3 LYS 47 HD1 LYS 47 13.043 5.922 -10.183 381 HE2 LYS 47 HE2 LYS 47 15.094 6.278 -9.077 382 HE3 LYS 47 HE1 LYS 47 13.913 7.019 -8.013 383 HZ1 LYS 47 HZ1 LYS 47 15.172 4.342 -7.637 384 HZ2 LYS 47 HZ2 LYS 47 14.037 5.037 -6.583 385 HZ3 LYS 47 HZ3 LYS 47 15.522 5.763 -6.798 386 H LYS 48 HN LYS 48 8.673 2.989 -10.086 387 HA LYS 48 HA LYS 48 7.431 1.514 -8.143 388 HB2 LYS 48 HB2 LYS 48 7.559 0.825 -10.453 389 HB3 LYS 48 HB1 LYS 48 9.291 0.565 -10.311 390 HG2 LYS 48 HG2 LYS 48 8.411 -1.589 -10.151 391 HG3 LYS 48 HG1 LYS 48 8.726 -1.023 -8.499 392 HD2 LYS 48 HD2 LYS 48 6.427 -0.670 -8.022 393 HD3 LYS 48 HD1 LYS 48 5.970 -0.765 -9.723 394 HE2 LYS 48 HE2 LYS 48 6.876 -3.032 -7.935 395 HE3 LYS 48 HE1 LYS 48 5.264 -2.744 -8.595 396 HZ1 LYS 48 HZ1 LYS 48 6.392 -4.450 -9.872 397 HZ2 LYS 48 HZ2 LYS 48 7.680 -3.427 -10.179 398 HZ3 LYS 48 HZ3 LYS 48 6.181 -3.081 -10.831 399 H GLU 49 HN GLU 49 10.827 1.999 -8.595 400 HA GLU 49 HA GLU 49 11.931 -0.117 -7.183 401 HB2 GLU 49 HB2 GLU 49 13.065 1.405 -8.748 402 HB3 GLU 49 HB1 GLU 49 12.981 2.677 -7.547 403 HG2 GLU 49 HG2 GLU 49 14.471 1.491 -6.112 404 HG3 GLU 49 HG1 GLU 49 14.380 0.092 -7.190 405 H GLU 50 HN GLU 50 10.909 3.053 -5.966 406 HA GLU 50 HA GLU 50 11.922 2.904 -3.296 407 HB2 GLU 50 HB2 GLU 50 9.331 4.267 -3.997 408 HB3 GLU 50 HB1 GLU 50 10.574 4.788 -2.874 409 HG2 GLU 50 HG2 GLU 50 10.787 4.762 -5.850 410 HG3 GLU 50 HG1 GLU 50 10.426 6.198 -4.880 411 H LEU 51 HN LEU 51 8.931 2.201 -4.888 412 HA LEU 51 HA LEU 51 7.568 1.284 -2.614 413 HB2 LEU 51 HB2 LEU 51 6.404 2.174 -4.576 414 HB3 LEU 51 HB1 LEU 51 6.983 0.825 -5.531 415 HG LEU 51 HG LEU 51 5.699 -0.715 -4.063 416 HD11 LEU 51 HD11 LEU 51 5.565 0.651 -2.060 417 HD12 LEU 51 HD12 LEU 51 3.958 0.193 -2.617 418 HD13 LEU 51 HD13 LEU 51 4.561 1.823 -2.910 419 HD21 LEU 51 HD21 LEU 51 3.520 -0.139 -4.983 420 HD22 LEU 51 HD22 LEU 51 4.809 0.027 -6.173 421 HD23 LEU 51 HD23 LEU 51 4.132 1.461 -5.390 422 H GLY 52 HN GLY 52 9.765 -0.147 -4.890 423 HA2 GLY 52 HA2 GLY 52 9.184 -2.870 -4.638 424 HA3 GLY 52 HA1 GLY 52 10.782 -2.201 -4.954 425 H ASP 53 HN ASP 53 11.380 -0.852 -2.766 426 HA ASP 53 HA ASP 53 12.096 -2.704 -0.767 427 HB2 ASP 53 HB2 ASP 53 13.201 -0.565 -0.834 428 HB3 ASP 53 HB1 ASP 53 11.679 0.289 -0.632 429 H ARG 54 HN ARG 54 9.436 -0.412 -0.872 430 HA ARG 54 HA ARG 54 8.298 -1.273 1.576 431 HB2 ARG 54 HB2 ARG 54 7.974 0.992 0.464 432 HB3 ARG 54 HB1 ARG 54 6.819 0.204 -0.593 433 HG2 ARG 54 HG2 ARG 54 5.366 -0.294 1.251 434 HG3 ARG 54 HG1 ARG 54 6.569 0.271 2.414 435 HD2 ARG 54 HD2 ARG 54 6.418 2.533 1.311 436 HD3 ARG 54 HD1 ARG 54 5.077 1.904 0.374 437 HE ARG 54 HE ARG 54 3.877 1.589 2.471 438 HH11 ARG 54 HH11 ARG 54 6.763 3.638 2.693 439 HH12 ARG 54 HH12 ARG 54 6.149 4.705 3.834 440 HH21 ARG 54 HH21 ARG 54 2.954 3.131 4.160 441 HH22 ARG 54 HH22 ARG 54 3.941 4.400 4.674 442 H ILE 55 HN ILE 55 8.185 -2.657 -1.515 443 HA ILE 55 HA ILE 55 5.728 -4.082 -1.282 444 HB ILE 55 HB ILE 55 8.102 -4.469 -3.142 445 HG12 ILE 55 HG12 ILE 55 5.274 -3.534 -3.627 446 HG13 ILE 55 HG11 ILE 55 6.717 -2.532 -3.593 447 HG21 ILE 55 HG21 ILE 55 5.545 -6.062 -3.157 448 HG22 ILE 55 HG22 ILE 55 7.153 -6.672 -2.772 449 HG23 ILE 55 HG23 ILE 55 6.789 -6.112 -4.408 450 HD11 ILE 55 HD11 ILE 55 6.094 -4.673 -5.614 451 HD12 ILE 55 HD12 ILE 55 7.555 -3.690 -5.589 452 HD13 ILE 55 HD13 ILE 55 5.986 -2.932 -5.867 453 H ALA 56 HN ALA 56 9.094 -4.752 -0.595 454 HA ALA 56 HA ALA 56 8.730 -7.435 0.200 455 HB1 ALA 56 HB1 ALA 56 10.712 -5.431 1.300 456 HB2 ALA 56 HB2 ALA 56 10.951 -6.431 -0.137 457 HB3 ALA 56 HB3 ALA 56 10.782 -7.191 1.449 458 H GLN 57 HN GLN 57 8.620 -4.405 1.997 459 HA GLN 57 HA GLN 57 7.755 -5.580 4.424 460 HB2 GLN 57 HB2 GLN 57 7.598 -2.781 3.371 461 HB3 GLN 57 HB1 GLN 57 6.853 -3.217 4.906 462 HG2 GLN 57 HG2 GLN 57 9.665 -3.870 4.285 463 HG3 GLN 57 HG1 GLN 57 9.244 -2.286 4.984 464 HE21 GLN 57 HE21 GLN 57 9.573 -5.732 5.531 465 HE22 GLN 57 HE22 GLN 57 9.351 -5.667 7.228 466 H PHE 58 HN PHE 58 6.021 -4.582 1.594 467 HA PHE 58 HA PHE 58 3.441 -4.711 2.727 468 HB2 PHE 58 HB2 PHE 58 3.957 -3.473 0.616 469 HB3 PHE 58 HB1 PHE 58 4.205 -5.021 -0.179 470 HD1 PHE 58 HD2 PHE 58 1.613 -3.155 1.754 471 HD2 PHE 58 HD1 PHE 58 2.451 -6.013 -1.280 472 HE1 PHE 58 HE2 PHE 58 -0.771 -3.269 1.211 473 HE2 PHE 58 HE1 PHE 58 0.064 -6.131 -1.826 474 HZ PHE 58 HZ PHE 58 -1.552 -4.761 -0.582 475 H TYR 59 HN TYR 59 5.432 -7.083 0.989 476 HA TYR 59 HA TYR 59 3.594 -9.177 0.858 477 HB2 TYR 59 HB2 TYR 59 6.569 -9.142 1.170 478 HB3 TYR 59 HB1 TYR 59 5.706 -10.655 1.358 479 HD1 TYR 59 HD1 TYR 59 4.085 -11.258 -0.612 480 HD2 TYR 59 HD2 TYR 59 7.336 -8.541 -0.917 481 HE1 TYR 59 HE1 TYR 59 4.190 -11.666 -3.032 482 HE2 TYR 59 HE2 TYR 59 7.439 -8.930 -3.336 483 HH TYR 59 HH TYR 59 6.832 -10.670 -4.887 484 H THR 60 HN THR 60 5.858 -8.372 3.424 485 HA THR 60 HA THR 60 5.068 -10.320 5.234 486 HB THR 60 HB THR 60 6.157 -7.546 5.747 487 HG1 THR 60 HG1 THR 60 8.023 -8.362 5.056 488 HG21 THR 60 HG21 THR 60 6.261 -10.056 7.439 489 HG22 THR 60 HG22 THR 60 5.271 -8.637 7.776 490 HG23 THR 60 HG23 THR 60 7.029 -8.517 7.830 491 H ASP 61 HN ASP 61 4.112 -6.888 5.030 492 HA ASP 61 HA ASP 61 2.368 -6.887 7.214 493 HB2 ASP 61 HB2 ASP 61 3.389 -4.892 6.155 494 HB3 ASP 61 HB1 ASP 61 2.289 -5.086 4.801 495 H LEU 62 HN LEU 62 1.705 -7.508 3.837 496 HA LEU 62 HA LEU 62 -1.129 -7.493 4.018 497 HB2 LEU 62 HB2 LEU 62 0.096 -7.084 1.945 498 HB3 LEU 62 HB1 LEU 62 0.718 -8.717 1.981 499 HG LEU 62 HG LEU 62 -1.595 -9.550 1.681 500 HD11 LEU 62 HD11 LEU 62 -2.795 -7.658 2.620 501 HD12 LEU 62 HD12 LEU 62 -3.310 -7.957 0.961 502 HD13 LEU 62 HD13 LEU 62 -2.212 -6.623 1.318 503 HD21 LEU 62 HD21 LEU 62 -0.607 -7.607 -0.394 504 HD22 LEU 62 HD22 LEU 62 -1.753 -8.920 -0.671 505 HD23 LEU 62 HD23 LEU 62 -0.090 -9.282 -0.211 506 H ASN 63 HN ASN 63 1.299 -10.093 4.017 507 HA ASN 63 HA ASN 63 -0.758 -12.101 4.074 508 HB2 ASN 63 HB2 ASN 63 2.245 -12.352 4.236 509 HB3 ASN 63 HB1 ASN 63 1.176 -13.737 4.405 510 HD21 ASN 63 HD21 ASN 63 2.498 -11.401 2.235 511 HD22 ASN 63 HD22 ASN 63 1.959 -12.133 0.764 512 H ILE 64 HN ILE 64 0.571 -10.200 6.449 513 HA ILE 64 HA ILE 64 -0.125 -12.189 8.477 514 HB ILE 64 HB ILE 64 0.989 -10.789 10.140 515 HG12 ILE 64 HG12 ILE 64 1.673 -8.937 7.839 516 HG13 ILE 64 HG11 ILE 64 0.527 -8.578 9.121 517 HG21 ILE 64 HG21 ILE 64 2.693 -11.317 7.715 518 HG22 ILE 64 HG22 ILE 64 2.342 -12.446 9.024 519 HG23 ILE 64 HG23 ILE 64 3.317 -11.008 9.331 520 HD11 ILE 64 HD11 ILE 64 2.355 -8.649 10.753 521 HD12 ILE 64 HD12 ILE 64 2.635 -7.450 9.489 522 HD13 ILE 64 HD13 ILE 64 3.492 -8.988 9.446 523 H ASP 65 HN ASP 65 -1.750 -10.130 6.739 524 HA ASP 65 HA ASP 65 -3.184 -8.848 8.939 525 HB2 ASP 65 HB2 ASP 65 -2.653 -7.370 7.051 526 HB3 ASP 65 HB1 ASP 65 -3.455 -8.476 5.937 527 H GLY 66 HN GLY 66 -5.590 -8.990 8.903 528 HA2 GLY 66 HA2 GLY 66 -6.387 -11.643 7.920 529 HA3 GLY 66 HA1 GLY 66 -6.924 -10.973 9.476 530 H ARG 67 HN ARG 67 -6.984 -8.364 7.372 531 HA ARG 67 HA ARG 67 -9.872 -8.743 7.095 532 HB2 ARG 67 HB2 ARG 67 -8.223 -6.234 6.639 533 HB3 ARG 67 HB1 ARG 67 -9.977 -6.334 6.644 534 HG2 ARG 67 HG2 ARG 67 -9.909 -5.797 8.795 535 HG3 ARG 67 HG1 ARG 67 -9.197 -7.382 9.097 536 HD2 ARG 67 HD2 ARG 67 -7.735 -5.815 10.084 537 HD3 ARG 67 HD1 ARG 67 -6.955 -6.329 8.591 538 HE ARG 67 HE ARG 67 -8.583 -3.985 8.346 539 HH11 ARG 67 HH11 ARG 67 -5.269 -5.172 8.646 540 HH12 ARG 67 HH12 ARG 67 -4.572 -3.614 8.746 541 HH21 ARG 67 HH21 ARG 67 -7.598 -1.864 8.373 542 HH22 ARG 67 HH22 ARG 67 -5.931 -1.688 8.570 543 H PHE 68 HN PHE 68 -6.927 -8.434 5.403 544 HA PHE 68 HA PHE 68 -8.119 -8.292 2.834 545 HB2 PHE 68 HB2 PHE 68 -5.513 -8.069 3.913 546 HB3 PHE 68 HB1 PHE 68 -5.484 -9.372 2.722 547 HD1 PHE 68 HD1 PHE 68 -6.101 -5.812 3.262 548 HD2 PHE 68 HD2 PHE 68 -5.850 -8.947 0.416 549 HE1 PHE 68 HE1 PHE 68 -6.070 -4.162 1.448 550 HE2 PHE 68 HE2 PHE 68 -5.812 -7.306 -1.404 551 HZ PHE 68 HZ PHE 68 -5.929 -4.924 -0.897 552 H LEU 69 HN LEU 69 -7.947 -9.970 1.259 553 HA LEU 69 HA LEU 69 -8.021 -12.655 2.362 554 HB2 LEU 69 HB2 LEU 69 -10.244 -12.049 2.464 555 HB3 LEU 69 HB1 LEU 69 -10.208 -11.125 0.993 556 HG LEU 69 HG LEU 69 -10.089 -13.313 -0.257 557 HD11 LEU 69 HD11 LEU 69 -9.161 -14.664 1.549 558 HD12 LEU 69 HD12 LEU 69 -10.669 -15.334 0.932 559 HD13 LEU 69 HD13 LEU 69 -10.652 -14.461 2.465 560 HD21 LEU 69 HD21 LEU 69 -12.416 -13.743 -0.048 561 HD22 LEU 69 HD22 LEU 69 -12.197 -12.019 0.250 562 HD23 LEU 69 HD23 LEU 69 -12.424 -13.152 1.591 563 H ALA 70 HN ALA 70 -6.903 -13.979 0.970 564 HA ALA 70 HA ALA 70 -6.306 -12.987 -1.709 565 HB1 ALA 70 HB1 ALA 70 -5.313 -15.439 -0.230 566 HB2 ALA 70 HB2 ALA 70 -4.413 -13.939 -0.456 567 HB3 ALA 70 HB3 ALA 70 -4.800 -14.957 -1.844 568 H LEU 71 HN LEU 71 -7.300 -13.902 -3.485 569 HA LEU 71 HA LEU 71 -9.526 -15.489 -2.760 570 HB2 LEU 71 HB2 LEU 71 -8.745 -14.718 -5.570 571 HB3 LEU 71 HB1 LEU 71 -10.285 -15.390 -5.063 572 HG LEU 71 HG LEU 71 -9.146 -12.665 -4.605 573 HD11 LEU 71 HD11 LEU 71 -10.312 -12.978 -6.637 574 HD12 LEU 71 HD12 LEU 71 -11.269 -11.972 -5.544 575 HD13 LEU 71 HD13 LEU 71 -11.699 -13.664 -5.786 576 HD21 LEU 71 HD21 LEU 71 -11.541 -13.829 -3.187 577 HD22 LEU 71 HD22 LEU 71 -11.058 -12.129 -3.209 578 HD23 LEU 71 HD23 LEU 71 -10.015 -13.327 -2.445 579 H SER 72 HN SER 72 -8.145 -16.656 -5.796 580 HA SER 72 HA SER 72 -8.000 -19.133 -4.293 581 HB2 SER 72 HB2 SER 72 -8.340 -20.312 -6.424 582 HB3 SER 72 HB1 SER 72 -9.649 -19.202 -6.029 583 HG SER 72 HG SER 72 -7.772 -19.168 -8.030 584 H ASP 73 HN ASP 73 -6.210 -17.664 -7.029 585 HA ASP 73 HA ASP 73 -4.014 -19.475 -6.211 586 HB2 ASP 73 HB2 ASP 73 -4.691 -18.650 -9.019 587 HB3 ASP 73 HB1 ASP 73 -3.385 -19.709 -8.537 588 H GLN 74 HN GLN 74 -4.779 -16.171 -6.983 589 HA GLN 74 HA GLN 74 -1.954 -15.484 -6.603 590 HB2 GLN 74 HB2 GLN 74 -3.263 -14.190 -8.992 591 HB3 GLN 74 HB1 GLN 74 -1.586 -14.226 -8.555 592 HG2 GLN 74 HG2 GLN 74 -1.667 -15.499 -10.473 593 HG3 GLN 74 HG1 GLN 74 -1.695 -16.720 -9.205 594 HE21 GLN 74 HE21 GLN 74 -4.516 -14.742 -10.050 595 HE22 GLN 74 HE22 GLN 74 -5.425 -16.044 -10.686 596 H THR 75 HN THR 75 -4.982 -14.245 -7.842 597 HA THR 75 HA THR 75 -4.630 -11.598 -7.317 598 HB THR 75 HB THR 75 -7.248 -12.976 -7.564 599 HG1 THR 75 HG1 THR 75 -6.336 -12.780 -9.971 600 HG21 THR 75 HG21 THR 75 -7.147 -10.523 -7.593 601 HG22 THR 75 HG22 THR 75 -7.603 -11.152 -9.182 602 HG23 THR 75 HG23 THR 75 -5.961 -10.589 -8.893 603 H TRP 76 HN TRP 76 -5.214 -10.304 -5.653 604 HA TRP 76 HA TRP 76 -6.207 -11.574 -3.236 605 HB2 TRP 76 HB2 TRP 76 -4.777 -8.957 -3.722 606 HB3 TRP 76 HB1 TRP 76 -5.498 -9.385 -2.177 607 HD1 TRP 76 HD1 TRP 76 -2.591 -10.409 -4.503 608 HE1 TRP 76 HE1 TRP 76 -0.835 -11.665 -3.081 609 HE3 TRP 76 HE3 TRP 76 -5.164 -10.716 -0.095 610 HZ2 TRP 76 HZ2 TRP 76 -0.589 -12.647 -0.454 611 HZ3 TRP 76 HZ3 TRP 76 -4.098 -11.817 1.822 612 HH2 TRP 76 HH2 TRP 76 -1.857 -12.765 1.646 613 H GLY 77 HN GLY 77 -7.704 -10.231 -1.944 614 HA2 GLY 77 HA2 GLY 77 -9.182 -8.189 -3.253 615 HA3 GLY 77 HA1 GLY 77 -10.065 -9.705 -3.071 616 H LEU 78 HN LEU 78 -11.484 -8.736 -1.658 617 HA LEU 78 HA LEU 78 -10.349 -8.136 0.984 618 HB2 LEU 78 HB2 LEU 78 -12.778 -6.867 -0.269 619 HB3 LEU 78 HB1 LEU 78 -12.307 -6.662 1.404 620 HG LEU 78 HG LEU 78 -10.789 -5.714 -1.020 621 HD11 LEU 78 HD11 LEU 78 -11.294 -3.491 -0.146 622 HD12 LEU 78 HD12 LEU 78 -12.234 -4.219 1.154 623 HD13 LEU 78 HD13 LEU 78 -12.759 -4.397 -0.521 624 HD21 LEU 78 HD21 LEU 78 -9.283 -4.632 0.607 625 HD22 LEU 78 HD22 LEU 78 -9.212 -6.386 0.688 626 HD23 LEU 78 HD23 LEU 78 -10.108 -5.483 1.914 627 H ARG 79 HN ARG 79 -11.315 -8.965 2.726 628 HA ARG 79 HA ARG 79 -12.629 -11.421 2.264 629 HB2 ARG 79 HB2 ARG 79 -10.963 -10.896 4.079 630 HB3 ARG 79 HB1 ARG 79 -12.214 -9.965 4.867 631 HG2 ARG 79 HG2 ARG 79 -13.551 -11.973 5.163 632 HG3 ARG 79 HG1 ARG 79 -12.314 -12.923 4.329 633 HD2 ARG 79 HD2 ARG 79 -10.675 -12.229 5.988 634 HD3 ARG 79 HD1 ARG 79 -11.908 -11.343 6.860 635 HE ARG 79 HE ARG 79 -11.936 -14.248 6.411 636 HH11 ARG 79 HH11 ARG 79 -12.624 -11.524 8.560 637 HH12 ARG 79 HH12 ARG 79 -12.838 -12.462 9.951 638 HH21 ARG 79 HH21 ARG 79 -12.245 -15.605 8.428 639 HH22 ARG 79 HH22 ARG 79 -12.654 -14.802 9.857 640 H SER 80 HN SER 80 -13.648 -8.237 2.881 641 HA SER 80 HA SER 80 -16.116 -8.530 4.070 642 HB2 SER 80 HB2 SER 80 -15.377 -6.465 2.047 643 HB3 SER 80 HB1 SER 80 -16.298 -6.289 3.548 644 HG SER 80 HG SER 80 -14.367 -5.572 4.140 645 H TRP 81 HN TRP 81 -15.080 -9.188 0.799 646 HA TRP 81 HA TRP 81 -17.630 -8.606 -0.407 647 HB2 TRP 81 HB2 TRP 81 -15.250 -10.014 -1.586 648 HB3 TRP 81 HB1 TRP 81 -16.665 -9.471 -2.463 649 HD1 TRP 81 HD1 TRP 81 -16.577 -6.528 -0.827 650 HE1 TRP 81 HE1 TRP 81 -14.897 -4.813 -1.726 651 HE3 TRP 81 HE3 TRP 81 -13.467 -9.729 -3.460 652 HZ2 TRP 81 HZ2 TRP 81 -12.585 -4.806 -3.349 653 HZ3 TRP 81 HZ3 TRP 81 -11.585 -8.743 -4.640 654 HH2 TRP 81 HH2 TRP 81 -11.152 -6.347 -4.595 655 H TYR 82 HN TYR 82 -16.126 -11.490 0.930 656 HA TYR 82 HA TYR 82 -18.254 -13.097 -0.346 657 HB2 TYR 82 HB2 TYR 82 -15.404 -14.018 -0.239 658 HB3 TYR 82 HB1 TYR 82 -16.726 -14.706 -1.148 659 HD1 TYR 82 HD2 TYR 82 -17.662 -13.222 -3.078 660 HD2 TYR 82 HD1 TYR 82 -13.910 -12.656 -1.210 661 HE1 TYR 82 HE2 TYR 82 -16.852 -12.005 -5.072 662 HE2 TYR 82 HE1 TYR 82 -13.076 -11.491 -3.108 663 HH TYR 82 HH TYR 82 -13.589 -11.310 -5.564 Start of MODEL 3 1 H1 GLY 2 HT1 GLY 2 -11.292 6.391 -3.840 2 H2 GLY 2 HT2 GLY 2 -11.990 7.504 -2.728 3 H3 GLY 2 HT3 GLY 2 -12.488 5.899 -2.793 4 HA2 GLY 2 HA1 GLY 2 -10.947 6.461 -0.925 5 HA3 GLY 2 HA2 GLY 2 -10.436 5.112 -1.942 6 H ILE 3 HN ILE 3 -8.573 5.283 -2.955 7 HA ILE 3 HA ILE 3 -6.846 7.330 -2.082 8 HB ILE 3 HB ILE 3 -4.998 6.252 -3.290 9 HG12 ILE 3 HG12 ILE 3 -6.228 5.297 -5.207 10 HG13 ILE 3 HG11 ILE 3 -5.253 4.082 -4.398 11 HG21 ILE 3 HG21 ILE 3 -5.024 4.125 -1.989 12 HG22 ILE 3 HG22 ILE 3 -6.664 4.572 -1.488 13 HG23 ILE 3 HG23 ILE 3 -5.303 5.606 -1.076 14 HD11 ILE 3 HD11 ILE 3 -7.356 3.122 -5.027 15 HD12 ILE 3 HD12 ILE 3 -8.219 4.460 -4.312 16 HD13 ILE 3 HD13 ILE 3 -7.362 3.329 -3.264 17 H LYS 4 HN LYS 4 -8.870 7.401 -4.637 18 HA LYS 4 HA LYS 4 -7.590 8.737 -6.669 19 HB2 LYS 4 HB2 LYS 4 -9.761 10.021 -6.953 20 HB3 LYS 4 HB1 LYS 4 -9.912 8.270 -6.931 21 HG2 LYS 4 HG2 LYS 4 -10.949 8.254 -4.850 22 HG3 LYS 4 HG1 LYS 4 -10.283 9.816 -4.395 23 HD2 LYS 4 HD2 LYS 4 -12.711 9.915 -4.808 24 HD3 LYS 4 HD1 LYS 4 -11.805 10.946 -5.901 25 HE2 LYS 4 HE2 LYS 4 -13.580 9.834 -7.103 26 HE3 LYS 4 HE1 LYS 4 -12.023 9.234 -7.653 27 HZ1 LYS 4 HZ1 LYS 4 -13.649 7.737 -5.634 28 HZ2 LYS 4 HZ2 LYS 4 -12.414 7.133 -6.609 29 HZ3 LYS 4 HZ3 LYS 4 -13.862 7.595 -7.274 30 H GLN 5 HN GLN 5 -8.308 9.933 -3.464 31 HA GLN 5 HA GLN 5 -7.716 12.700 -4.242 32 HB2 GLN 5 HB2 GLN 5 -8.714 13.294 -2.087 33 HB3 GLN 5 HB1 GLN 5 -9.801 12.384 -3.128 34 HG2 GLN 5 HG2 GLN 5 -9.459 10.386 -1.865 35 HG3 GLN 5 HG1 GLN 5 -8.194 11.151 -0.911 36 HE21 GLN 5 HE21 GLN 5 -11.597 10.891 -1.459 37 HE22 GLN 5 HE22 GLN 5 -12.050 11.719 -0.008 38 H TYR 6 HN TYR 6 -5.866 10.191 -3.044 39 HA TYR 6 HA TYR 6 -4.623 11.972 -1.081 40 HB2 TYR 6 HB2 TYR 6 -4.051 9.024 -1.396 41 HB3 TYR 6 HB1 TYR 6 -3.473 10.075 -0.117 42 HD1 TYR 6 HD2 TYR 6 -5.609 11.462 0.992 43 HD2 TYR 6 HD1 TYR 6 -5.678 7.601 -0.717 44 HE1 TYR 6 HE2 TYR 6 -7.647 10.949 2.274 45 HE2 TYR 6 HE1 TYR 6 -7.731 7.051 0.515 46 HH TYR 6 HH TYR 6 -9.487 9.529 2.225 47 H SER 7 HN SER 7 -2.570 12.477 -1.016 48 HA SER 7 HA SER 7 -1.071 12.411 -3.551 49 HB2 SER 7 HB2 SER 7 0.178 14.308 -2.433 50 HB3 SER 7 HB1 SER 7 -1.525 14.627 -2.762 51 HG SER 7 HG SER 7 -1.977 14.116 -0.582 52 H GLN 8 HN GLN 8 1.460 12.793 -2.929 53 HA GLN 8 HA GLN 8 2.242 10.137 -2.487 54 HB2 GLN 8 HB2 GLN 8 3.408 11.816 -3.901 55 HB3 GLN 8 HB1 GLN 8 4.015 12.553 -2.423 56 HG2 GLN 8 HG2 GLN 8 4.769 10.101 -1.918 57 HG3 GLN 8 HG1 GLN 8 4.618 9.979 -3.663 58 HE21 GLN 8 HE21 GLN 8 6.111 11.019 -5.010 59 HE22 GLN 8 HE22 GLN 8 7.492 11.830 -4.388 60 H GLU 9 HN GLU 9 2.914 13.038 -0.457 61 HA GLU 9 HA GLU 9 4.282 11.679 1.631 62 HB2 GLU 9 HB2 GLU 9 2.685 14.230 1.744 63 HB3 GLU 9 HB1 GLU 9 3.861 13.697 2.930 64 HG2 GLU 9 HG2 GLU 9 4.514 14.300 0.067 65 HG3 GLU 9 HG1 GLU 9 4.635 15.463 1.383 66 H GLU 10 HN GLU 10 1.046 12.515 1.018 67 HA GLU 10 HA GLU 10 -0.220 11.966 3.418 68 HB2 GLU 10 HB2 GLU 10 -1.023 13.225 1.403 69 HB3 GLU 10 HB1 GLU 10 -1.210 11.697 0.591 70 HG2 GLU 10 HG2 GLU 10 -3.077 11.135 1.842 71 HG3 GLU 10 HG1 GLU 10 -2.660 12.272 3.131 72 H LEU 11 HN LEU 11 0.107 9.919 0.513 73 HA LEU 11 HA LEU 11 -0.912 7.583 1.751 74 HB2 LEU 11 HB2 LEU 11 0.658 8.052 -0.744 75 HB3 LEU 11 HB1 LEU 11 0.088 6.458 -0.276 76 HG LEU 11 HG LEU 11 -1.723 8.825 -0.735 77 HD11 LEU 11 HD11 LEU 11 -0.484 8.233 -2.747 78 HD12 LEU 11 HD12 LEU 11 -2.200 7.847 -2.898 79 HD13 LEU 11 HD13 LEU 11 -1.022 6.561 -2.594 80 HD21 LEU 11 HD21 LEU 11 -2.221 5.862 -0.477 81 HD22 LEU 11 HD22 LEU 11 -3.436 7.056 -0.909 82 HD23 LEU 11 HD23 LEU 11 -2.687 7.104 0.686 83 H LYS 12 HN LYS 12 2.282 8.938 1.553 84 HA LYS 12 HA LYS 12 3.861 6.673 2.007 85 HB2 LYS 12 HB2 LYS 12 4.147 9.542 2.577 86 HB3 LYS 12 HB1 LYS 12 5.294 8.481 3.335 87 HG2 LYS 12 HG2 LYS 12 5.918 7.663 1.083 88 HG3 LYS 12 HG1 LYS 12 4.808 8.869 0.399 89 HD2 LYS 12 HD2 LYS 12 5.994 10.643 1.535 90 HD3 LYS 12 HD1 LYS 12 7.056 9.465 2.291 91 HE2 LYS 12 HE2 LYS 12 8.005 8.899 0.177 92 HE3 LYS 12 HE1 LYS 12 6.839 9.930 -0.663 93 HZ1 LYS 12 HZ1 LYS 12 8.947 11.067 -0.372 94 HZ2 LYS 12 HZ2 LYS 12 8.821 10.895 1.318 95 HZ3 LYS 12 HZ3 LYS 12 7.700 11.819 0.473 96 H GLU 13 HN GLU 13 2.276 8.804 4.356 97 HA GLU 13 HA GLU 13 3.440 7.230 6.459 98 HB2 GLU 13 HB2 GLU 13 2.278 8.829 8.015 99 HB3 GLU 13 HB1 GLU 13 3.489 9.513 6.944 100 HG2 GLU 13 HG2 GLU 13 1.747 10.372 5.502 101 HG3 GLU 13 HG1 GLU 13 0.519 9.642 6.542 102 H MET 14 HN MET 14 0.790 6.872 4.634 103 HA MET 14 HA MET 14 -0.753 5.575 6.732 104 HB2 MET 14 HB2 MET 14 -1.282 5.827 3.752 105 HB3 MET 14 HB1 MET 14 -2.353 5.038 4.897 106 HG2 MET 14 HG2 MET 14 -2.668 7.183 6.058 107 HG3 MET 14 HG1 MET 14 -1.613 7.959 4.881 108 HE1 MET 14 HE1 MET 14 -4.363 5.152 4.235 109 HE2 MET 14 HE2 MET 14 -5.761 6.161 3.867 110 HE3 MET 14 HE3 MET 14 -5.063 6.178 5.486 111 H ALA 15 HN ALA 15 -0.946 3.351 6.856 112 HA ALA 15 HA ALA 15 1.196 1.792 5.903 113 HB1 ALA 15 HB1 ALA 15 -0.047 1.211 7.940 114 HB2 ALA 15 HB2 ALA 15 -0.089 -0.128 6.795 115 HB3 ALA 15 HB3 ALA 15 -1.494 0.922 6.981 116 H LEU 16 HN LEU 16 1.352 0.460 4.122 117 HA LEU 16 HA LEU 16 -0.388 1.315 2.073 118 HB2 LEU 16 HB2 LEU 16 0.919 0.177 0.413 119 HB3 LEU 16 HB1 LEU 16 1.945 1.093 1.484 120 HG LEU 16 HG LEU 16 1.624 -1.911 1.514 121 HD11 LEU 16 HD11 LEU 16 3.748 -0.121 0.362 122 HD12 LEU 16 HD12 LEU 16 2.664 -1.188 -0.528 123 HD13 LEU 16 HD13 LEU 16 3.906 -1.862 0.524 124 HD21 LEU 16 HD21 LEU 16 2.308 -0.999 3.700 125 HD22 LEU 16 HD22 LEU 16 3.622 -0.124 2.919 126 HD23 LEU 16 HD23 LEU 16 3.624 -1.887 2.935 127 H VAL 17 HN VAL 17 -0.626 -1.341 4.125 128 HA VAL 17 HA VAL 17 -2.262 -2.858 2.346 129 HB VAL 17 HB VAL 17 -1.223 -3.810 4.468 130 HG11 VAL 17 HG11 VAL 17 -3.478 -2.377 5.848 131 HG12 VAL 17 HG12 VAL 17 -1.762 -2.026 6.019 132 HG13 VAL 17 HG13 VAL 17 -2.407 -3.569 6.586 133 HG21 VAL 17 HG21 VAL 17 -3.112 -5.289 4.996 134 HG22 VAL 17 HG22 VAL 17 -2.917 -5.053 3.260 135 HG23 VAL 17 HG23 VAL 17 -4.191 -4.198 4.128 136 H GLU 18 HN GLU 18 -2.773 -0.177 4.459 137 HA GLU 18 HA GLU 18 -5.621 -0.170 4.386 138 HB2 GLU 18 HB2 GLU 18 -3.691 2.108 4.887 139 HB3 GLU 18 HB1 GLU 18 -5.396 2.081 5.318 140 HG2 GLU 18 HG2 GLU 18 -3.370 0.153 6.412 141 HG3 GLU 18 HG1 GLU 18 -3.796 1.669 7.202 142 H ILE 19 HN ILE 19 -3.019 1.358 2.608 143 HA ILE 19 HA ILE 19 -4.563 2.898 0.812 144 HB ILE 19 HB ILE 19 -1.900 1.542 0.239 145 HG12 ILE 19 HG12 ILE 19 -2.439 4.335 1.284 146 HG13 ILE 19 HG11 ILE 19 -1.829 2.997 2.249 147 HG21 ILE 19 HG21 ILE 19 -1.596 3.289 -1.470 148 HG22 ILE 19 HG22 ILE 19 -3.188 3.935 -1.100 149 HG23 ILE 19 HG23 ILE 19 -3.041 2.331 -1.804 150 HD11 ILE 19 HD11 ILE 19 -0.043 4.504 1.610 151 HD12 ILE 19 HD12 ILE 19 -0.440 4.281 -0.092 152 HD13 ILE 19 HD13 ILE 19 0.188 2.930 0.847 153 H ALA 20 HN ALA 20 -3.241 -0.380 0.579 154 HA ALA 20 HA ALA 20 -4.314 -1.057 -1.904 155 HB1 ALA 20 HB1 ALA 20 -3.775 -3.334 -1.328 156 HB2 ALA 20 HB2 ALA 20 -3.685 -2.914 0.381 157 HB3 ALA 20 HB3 ALA 20 -2.492 -2.272 -0.746 158 H HIS 21 HN HIS 21 -5.670 -1.354 1.347 159 HA HIS 21 HA HIS 21 -8.043 -2.706 0.796 160 HB2 HIS 21 HB2 HIS 21 -7.366 -2.107 3.093 161 HB3 HIS 21 HB1 HIS 21 -7.588 -0.396 2.719 162 HD1 HIS 21 HD1 HIS 21 -10.087 0.515 2.691 163 HD2 HIS 21 HD2 HIS 21 -9.704 -3.534 3.649 164 HE1 HIS 21 HE1 HIS 21 -12.300 -0.191 3.559 165 HE2 HIS 21 HE2 HIS 21 -11.914 -2.514 4.445 166 H GLU 22 HN GLU 22 -7.283 0.725 0.623 167 HA GLU 22 HA GLU 22 -9.814 1.530 -0.236 168 HB2 GLU 22 HB2 GLU 22 -7.171 2.896 -0.610 169 HB3 GLU 22 HB1 GLU 22 -8.744 3.667 -0.816 170 HG2 GLU 22 HG2 GLU 22 -7.522 2.602 1.725 171 HG3 GLU 22 HG1 GLU 22 -7.826 4.286 1.305 172 H LEU 23 HN LEU 23 -6.956 0.451 -2.036 173 HA LEU 23 HA LEU 23 -7.823 1.102 -4.636 174 HB2 LEU 23 HB2 LEU 23 -6.117 -1.134 -3.611 175 HB3 LEU 23 HB1 LEU 23 -6.732 -1.255 -5.236 176 HG LEU 23 HG LEU 23 -4.486 -0.473 -5.315 177 HD11 LEU 23 HD11 LEU 23 -6.374 1.769 -5.944 178 HD12 LEU 23 HD12 LEU 23 -5.891 0.437 -6.988 179 HD13 LEU 23 HD13 LEU 23 -4.706 1.641 -6.489 180 HD21 LEU 23 HD21 LEU 23 -4.271 0.420 -3.092 181 HD22 LEU 23 HD22 LEU 23 -5.346 1.757 -3.486 182 HD23 LEU 23 HD23 LEU 23 -3.764 1.630 -4.272 183 H PHE 24 HN PHE 24 -8.566 -1.679 -2.673 184 HA PHE 24 HA PHE 24 -10.203 -2.812 -4.693 185 HB2 PHE 24 HB2 PHE 24 -9.727 -3.554 -1.835 186 HB3 PHE 24 HB1 PHE 24 -10.848 -4.452 -2.852 187 HD1 PHE 24 HD1 PHE 24 -9.981 -5.311 -5.059 188 HD2 PHE 24 HD2 PHE 24 -7.467 -4.017 -1.926 189 HE1 PHE 24 HE1 PHE 24 -8.126 -6.556 -6.042 190 HE2 PHE 24 HE2 PHE 24 -5.598 -5.253 -2.916 191 HZ PHE 24 HZ PHE 24 -5.928 -6.530 -4.975 192 H GLU 25 HN GLU 25 -10.797 -0.675 -2.100 193 HA GLU 25 HA GLU 25 -13.639 -0.932 -2.187 194 HB2 GLU 25 HB2 GLU 25 -12.230 0.074 -0.296 195 HB3 GLU 25 HB1 GLU 25 -12.106 1.514 -1.299 196 HG2 GLU 25 HG2 GLU 25 -13.861 1.732 0.355 197 HG3 GLU 25 HG1 GLU 25 -14.530 1.743 -1.284 198 H GLU 26 HN GLU 26 -11.325 1.304 -3.538 199 HA GLU 26 HA GLU 26 -12.876 3.064 -5.041 200 HB2 GLU 26 HB2 GLU 26 -10.501 3.288 -4.386 201 HB3 GLU 26 HB1 GLU 26 -10.083 1.971 -5.445 202 HG2 GLU 26 HG2 GLU 26 -9.376 3.914 -6.522 203 HG3 GLU 26 HG1 GLU 26 -10.856 3.446 -7.345 204 H HIS 27 HN HIS 27 -11.439 -0.058 -5.819 205 HA HIS 27 HA HIS 27 -12.273 0.082 -8.600 206 HB2 HIS 27 HB2 HIS 27 -9.982 -0.640 -7.940 207 HB3 HIS 27 HB1 HIS 27 -10.682 -2.073 -7.212 208 HD1 HIS 27 HD1 HIS 27 -9.947 -3.942 -8.711 209 HD2 HIS 27 HD2 HIS 27 -11.290 -0.635 -10.845 210 HE1 HIS 27 HE1 HIS 27 -9.840 -4.599 -11.129 211 HE2 HIS 27 HE2 HIS 27 -10.638 -2.569 -12.396 212 H LYS 28 HN LYS 28 -13.131 -1.828 -5.698 213 HA LYS 28 HA LYS 28 -14.814 -3.267 -5.237 214 HB2 LYS 28 HB2 LYS 28 -15.981 -2.053 -7.734 215 HB3 LYS 28 HB1 LYS 28 -16.815 -3.308 -6.832 216 HG2 LYS 28 HG2 LYS 28 -15.934 -0.713 -5.626 217 HG3 LYS 28 HG1 LYS 28 -17.524 -0.972 -6.350 218 HD2 LYS 28 HD2 LYS 28 -17.908 -2.832 -4.772 219 HD3 LYS 28 HD1 LYS 28 -16.349 -2.489 -4.018 220 HE2 LYS 28 HE2 LYS 28 -18.617 -0.533 -4.253 221 HE3 LYS 28 HE1 LYS 28 -18.262 -1.501 -2.822 222 HZ1 LYS 28 HZ1 LYS 28 -17.375 0.830 -2.878 223 HZ2 LYS 28 HZ2 LYS 28 -16.183 0.299 -3.967 224 HZ3 LYS 28 HZ3 LYS 28 -16.314 -0.366 -2.435 225 H LYS 29 HN LYS 29 -12.550 -4.092 -7.054 226 HA LYS 29 HA LYS 29 -13.697 -6.580 -7.957 227 HB2 LYS 29 HB2 LYS 29 -12.065 -4.771 -9.769 228 HB3 LYS 29 HB1 LYS 29 -12.571 -6.403 -10.149 229 HG2 LYS 29 HG2 LYS 29 -14.453 -4.105 -9.693 230 HG3 LYS 29 HG1 LYS 29 -13.868 -4.608 -11.277 231 HD2 LYS 29 HD2 LYS 29 -14.909 -6.804 -10.957 232 HD3 LYS 29 HD1 LYS 29 -15.465 -6.310 -9.357 233 HE2 LYS 29 HE2 LYS 29 -17.227 -6.137 -11.087 234 HE3 LYS 29 HE1 LYS 29 -16.864 -4.593 -10.319 235 HZ1 LYS 29 HZ1 LYS 29 -15.548 -3.970 -12.222 236 HZ2 LYS 29 HZ2 LYS 29 -17.066 -4.402 -12.759 237 HZ3 LYS 29 HZ3 LYS 29 -15.773 -5.465 -12.943 238 HA PRO 30 HA PRO 30 -9.748 -7.802 -6.255 239 HB2 PRO 30 HB2 PRO 30 -9.753 -10.023 -8.182 240 HB3 PRO 30 HB1 PRO 30 -9.765 -10.063 -6.419 241 HG2 PRO 30 HG2 PRO 30 -11.936 -10.743 -7.838 242 HG3 PRO 30 HG1 PRO 30 -12.080 -9.864 -6.306 243 HD2 PRO 30 HD2 PRO 30 -12.242 -8.830 -9.105 244 HD3 PRO 30 HD1 PRO 30 -13.251 -8.451 -7.688 245 H VAL 31 HN VAL 31 -7.483 -7.973 -6.862 246 HA VAL 31 HA VAL 31 -6.847 -7.457 -9.656 247 HB VAL 31 HB VAL 31 -5.597 -5.799 -7.455 248 HG11 VAL 31 HG11 VAL 31 -5.613 -5.462 -10.431 249 HG12 VAL 31 HG12 VAL 31 -4.280 -6.026 -9.420 250 HG13 VAL 31 HG13 VAL 31 -4.852 -4.365 -9.279 251 HG21 VAL 31 HG21 VAL 31 -7.806 -4.840 -9.271 252 HG22 VAL 31 HG22 VAL 31 -6.844 -3.869 -8.138 253 HG23 VAL 31 HG23 VAL 31 -7.926 -5.115 -7.523 254 HA PRO 32 HA PRO 32 -3.586 -10.326 -8.338 255 HB2 PRO 32 HB2 PRO 32 -1.881 -9.670 -10.450 256 HB3 PRO 32 HB1 PRO 32 -3.064 -10.977 -10.470 257 HG2 PRO 32 HG2 PRO 32 -3.215 -8.258 -11.650 258 HG3 PRO 32 HG1 PRO 32 -3.945 -9.771 -12.208 259 HD2 PRO 32 HD2 PRO 32 -5.348 -7.805 -11.003 260 HD3 PRO 32 HD1 PRO 32 -5.786 -9.520 -10.863 261 H PHE 33 HN PHE 33 -1.530 -10.073 -7.415 262 HA PHE 33 HA PHE 33 -1.149 -7.802 -5.907 263 HB2 PHE 33 HB2 PHE 33 -0.214 -10.083 -5.452 264 HB3 PHE 33 HB1 PHE 33 0.994 -9.772 -6.701 265 HD1 PHE 33 HD2 PHE 33 2.820 -8.201 -6.291 266 HD2 PHE 33 HD1 PHE 33 -0.082 -9.044 -3.297 267 HE1 PHE 33 HE2 PHE 33 4.291 -7.212 -4.593 268 HE2 PHE 33 HE1 PHE 33 1.383 -8.060 -1.590 269 HZ PHE 33 HZ PHE 33 3.577 -7.146 -2.223 270 H GLN 34 HN GLN 34 0.500 -8.698 -8.914 271 HA GLN 34 HA GLN 34 2.251 -6.508 -8.869 272 HB2 GLN 34 HB2 GLN 34 1.460 -8.353 -11.093 273 HB3 GLN 34 HB1 GLN 34 2.568 -7.012 -11.357 274 HG2 GLN 34 HG2 GLN 34 3.045 -9.015 -9.181 275 HG3 GLN 34 HG1 GLN 34 3.542 -9.328 -10.837 276 HE21 GLN 34 HE21 GLN 34 3.707 -6.024 -9.626 277 HE22 GLN 34 HE22 GLN 34 5.417 -5.991 -9.486 278 H GLU 35 HN GLU 35 -0.994 -6.732 -10.257 279 HA GLU 35 HA GLU 35 -0.641 -4.208 -11.599 280 HB2 GLU 35 HB2 GLU 35 -3.126 -5.886 -11.169 281 HB3 GLU 35 HB1 GLU 35 -3.117 -4.368 -12.047 282 HG2 GLU 35 HG2 GLU 35 -1.497 -5.399 -13.653 283 HG3 GLU 35 HG1 GLU 35 -1.722 -6.929 -12.808 284 H LEU 36 HN LEU 36 -2.120 -5.452 -8.700 285 HA LEU 36 HA LEU 36 -3.329 -3.140 -7.714 286 HB2 LEU 36 HB2 LEU 36 -3.813 -5.126 -6.629 287 HB3 LEU 36 HB1 LEU 36 -2.158 -5.603 -6.445 288 HG LEU 36 HG LEU 36 -1.960 -3.705 -4.756 289 HD11 LEU 36 HD11 LEU 36 -3.877 -2.432 -5.454 290 HD12 LEU 36 HD12 LEU 36 -4.009 -2.885 -3.754 291 HD13 LEU 36 HD13 LEU 36 -4.956 -3.741 -4.974 292 HD21 LEU 36 HD21 LEU 36 -2.105 -6.022 -4.064 293 HD22 LEU 36 HD22 LEU 36 -3.863 -5.969 -4.174 294 HD23 LEU 36 HD23 LEU 36 -3.027 -5.000 -2.959 295 H LEU 37 HN LEU 37 -0.060 -4.365 -7.357 296 HA LEU 37 HA LEU 37 1.110 -2.443 -5.770 297 HB2 LEU 37 HB2 LEU 37 2.219 -4.469 -6.419 298 HB3 LEU 37 HB1 LEU 37 2.198 -3.984 -8.101 299 HG LEU 37 HG LEU 37 3.653 -2.056 -7.473 300 HD11 LEU 37 HD11 LEU 37 3.190 -1.942 -5.125 301 HD12 LEU 37 HD12 LEU 37 4.913 -2.233 -5.380 302 HD13 LEU 37 HD13 LEU 37 3.855 -3.555 -4.883 303 HD21 LEU 37 HD21 LEU 37 4.733 -4.820 -6.977 304 HD22 LEU 37 HD22 LEU 37 5.673 -3.395 -7.442 305 HD23 LEU 37 HD23 LEU 37 4.488 -4.072 -8.553 306 H ASN 38 HN ASN 38 0.733 -2.529 -9.293 307 HA ASN 38 HA ASN 38 2.118 -0.095 -9.685 308 HB2 ASN 38 HB2 ASN 38 0.264 -1.551 -11.568 309 HB3 ASN 38 HB1 ASN 38 1.259 -0.170 -12.016 310 HD21 ASN 38 HD21 ASN 38 1.372 -2.655 -13.206 311 HD22 ASN 38 HD22 ASN 38 2.913 -3.359 -12.907 312 H GLU 39 HN GLU 39 -1.222 -0.880 -9.161 313 HA GLU 39 HA GLU 39 -2.112 1.727 -9.776 314 HB2 GLU 39 HB2 GLU 39 -3.417 -0.432 -8.122 315 HB3 GLU 39 HB1 GLU 39 -4.195 1.087 -8.556 316 HG2 GLU 39 HG2 GLU 39 -3.264 -1.075 -10.422 317 HG3 GLU 39 HG1 GLU 39 -4.926 -0.586 -10.086 318 H ILE 40 HN ILE 40 -0.995 0.213 -6.827 319 HA ILE 40 HA ILE 40 -1.436 2.431 -5.138 320 HB ILE 40 HB ILE 40 0.797 0.360 -4.999 321 HG12 ILE 40 HG12 ILE 40 -1.852 0.460 -3.524 322 HG13 ILE 40 HG11 ILE 40 -1.486 -0.602 -4.879 323 HG21 ILE 40 HG21 ILE 40 1.006 0.993 -2.624 324 HG22 ILE 40 HG22 ILE 40 -0.181 2.273 -2.869 325 HG23 ILE 40 HG23 ILE 40 1.372 2.344 -3.699 326 HD11 ILE 40 HD11 ILE 40 0.230 -1.713 -3.532 327 HD12 ILE 40 HD12 ILE 40 -1.355 -1.785 -2.762 328 HD13 ILE 40 HD13 ILE 40 -0.145 -0.643 -2.181 329 H ALA 41 HN ALA 41 1.366 1.423 -7.025 330 HA ALA 41 HA ALA 41 3.039 3.591 -6.495 331 HB1 ALA 41 HB1 ALA 41 3.797 1.455 -7.423 332 HB2 ALA 41 HB2 ALA 41 4.418 2.851 -8.294 333 HB3 ALA 41 HB3 ALA 41 3.095 1.898 -8.985 334 H SER 42 HN SER 42 0.475 3.365 -8.858 335 HA SER 42 HA SER 42 1.395 5.694 -10.151 336 HB2 SER 42 HB2 SER 42 -0.973 5.681 -11.227 337 HB3 SER 42 HB1 SER 42 0.140 4.372 -11.613 338 HG SER 42 HG SER 42 -0.937 3.038 -10.323 339 H LEU 43 HN LEU 43 -1.309 5.156 -7.903 340 HA LEU 43 HA LEU 43 -1.982 7.900 -7.716 341 HB2 LEU 43 HB2 LEU 43 -2.609 5.536 -5.962 342 HB3 LEU 43 HB1 LEU 43 -3.084 7.146 -5.482 343 HG LEU 43 HG LEU 43 -4.962 5.988 -6.439 344 HD11 LEU 43 HD11 LEU 43 -4.890 8.347 -6.806 345 HD12 LEU 43 HD12 LEU 43 -5.666 7.525 -8.156 346 HD13 LEU 43 HD13 LEU 43 -4.013 8.114 -8.321 347 HD21 LEU 43 HD21 LEU 43 -3.340 5.675 -8.962 348 HD22 LEU 43 HD22 LEU 43 -5.050 5.283 -8.788 349 HD23 LEU 43 HD23 LEU 43 -3.841 4.376 -7.878 350 H LEU 44 HN LEU 44 0.112 5.853 -5.820 351 HA LEU 44 HA LEU 44 1.061 8.039 -4.165 352 HB2 LEU 44 HB2 LEU 44 0.919 5.826 -3.179 353 HB3 LEU 44 HB1 LEU 44 1.773 5.124 -4.527 354 HG LEU 44 HG LEU 44 3.812 6.354 -3.770 355 HD11 LEU 44 HD11 LEU 44 2.190 6.848 -1.295 356 HD12 LEU 44 HD12 LEU 44 2.720 8.080 -2.442 357 HD13 LEU 44 HD13 LEU 44 3.910 7.179 -1.502 358 HD21 LEU 44 HD21 LEU 44 2.574 4.381 -1.862 359 HD22 LEU 44 HD22 LEU 44 4.296 4.764 -2.003 360 HD23 LEU 44 HD23 LEU 44 3.449 4.005 -3.347 361 H GLY 45 HN GLY 45 2.128 9.479 -5.457 362 HA2 GLY 45 HA2 GLY 45 3.404 8.773 -7.901 363 HA3 GLY 45 HA1 GLY 45 3.536 10.320 -7.091 364 H VAL 46 HN VAL 46 4.803 7.039 -7.074 365 HA VAL 46 HA VAL 46 7.463 8.072 -6.285 366 HB VAL 46 HB VAL 46 7.793 5.978 -4.975 367 HG11 VAL 46 HG11 VAL 46 7.180 7.995 -3.781 368 HG12 VAL 46 HG12 VAL 46 6.407 6.599 -3.028 369 HG13 VAL 46 HG13 VAL 46 5.472 7.677 -4.066 370 HG21 VAL 46 HG21 VAL 46 5.774 4.630 -4.350 371 HG22 VAL 46 HG22 VAL 46 6.187 4.541 -6.062 372 HG23 VAL 46 HG23 VAL 46 4.851 5.546 -5.553 373 H LYS 47 HN LYS 47 9.097 6.125 -6.609 374 HA LYS 47 HA LYS 47 8.781 5.046 -9.284 375 HB2 LYS 47 HB2 LYS 47 10.931 4.939 -7.208 376 HB3 LYS 47 HB1 LYS 47 10.968 3.898 -8.607 377 HG2 LYS 47 HG2 LYS 47 10.998 5.947 -10.016 378 HG3 LYS 47 HG1 LYS 47 11.165 6.888 -8.519 379 HD2 LYS 47 HD2 LYS 47 13.167 5.752 -7.928 380 HD3 LYS 47 HD1 LYS 47 12.944 4.572 -9.208 381 HE2 LYS 47 HE2 LYS 47 13.225 6.407 -10.845 382 HE3 LYS 47 HE1 LYS 47 13.640 7.471 -9.491 383 HZ1 LYS 47 HZ1 LYS 47 15.482 6.096 -8.957 384 HZ2 LYS 47 HZ2 LYS 47 15.589 6.416 -10.619 385 HZ3 LYS 47 HZ3 LYS 47 15.003 4.929 -10.068 386 H LYS 48 HN LYS 48 9.136 2.773 -9.643 387 HA LYS 48 HA LYS 48 7.591 1.131 -7.925 388 HB2 LYS 48 HB2 LYS 48 8.013 0.910 -10.466 389 HB3 LYS 48 HB1 LYS 48 9.503 0.118 -9.994 390 HG2 LYS 48 HG2 LYS 48 8.014 -1.663 -10.278 391 HG3 LYS 48 HG1 LYS 48 8.075 -1.343 -8.538 392 HD2 LYS 48 HD2 LYS 48 5.758 -1.706 -9.265 393 HD3 LYS 48 HD1 LYS 48 5.994 -0.072 -8.651 394 HE2 LYS 48 HE2 LYS 48 4.614 -0.105 -10.692 395 HE3 LYS 48 HE1 LYS 48 6.110 0.787 -10.984 396 HZ1 LYS 48 HZ1 LYS 48 6.940 -1.347 -11.998 397 HZ2 LYS 48 HZ2 LYS 48 5.679 -0.632 -12.816 398 HZ3 LYS 48 HZ3 LYS 48 5.380 -1.961 -11.822 399 H GLU 49 HN GLU 49 10.964 1.785 -8.406 400 HA GLU 49 HA GLU 49 12.262 -0.357 -7.200 401 HB2 GLU 49 HB2 GLU 49 13.048 2.559 -7.240 402 HB3 GLU 49 HB1 GLU 49 14.135 1.235 -6.843 403 HG2 GLU 49 HG2 GLU 49 13.852 0.334 -9.084 404 HG3 GLU 49 HG1 GLU 49 12.724 1.631 -9.472 405 H GLU 50 HN GLU 50 11.477 2.725 -5.678 406 HA GLU 50 HA GLU 50 12.351 2.027 -3.089 407 HB2 GLU 50 HB2 GLU 50 11.241 4.121 -2.428 408 HB3 GLU 50 HB1 GLU 50 12.242 4.327 -3.857 409 HG2 GLU 50 HG2 GLU 50 10.086 4.024 -5.203 410 HG3 GLU 50 HG1 GLU 50 9.257 4.209 -3.672 411 H LEU 51 HN LEU 51 9.227 1.943 -4.681 412 HA LEU 51 HA LEU 51 7.820 1.176 -2.353 413 HB2 LEU 51 HB2 LEU 51 6.755 2.278 -4.325 414 HB3 LEU 51 HB1 LEU 51 7.030 0.813 -5.242 415 HG LEU 51 HG LEU 51 5.537 -0.415 -3.693 416 HD11 LEU 51 HD11 LEU 51 5.795 0.952 -1.705 417 HD12 LEU 51 HD12 LEU 51 4.096 0.845 -2.165 418 HD13 LEU 51 HD13 LEU 51 5.015 2.308 -2.518 419 HD21 LEU 51 HD21 LEU 51 4.660 0.469 -5.762 420 HD22 LEU 51 HD22 LEU 51 4.339 2.024 -4.991 421 HD23 LEU 51 HD23 LEU 51 3.446 0.587 -4.489 422 H GLY 52 HN GLY 52 9.831 -0.388 -4.611 423 HA2 GLY 52 HA2 GLY 52 8.971 -3.057 -4.427 424 HA3 GLY 52 HA1 GLY 52 10.582 -2.507 -4.858 425 H ASP 53 HN ASP 53 11.285 -1.159 -2.630 426 HA ASP 53 HA ASP 53 12.084 -3.143 -0.772 427 HB2 ASP 53 HB2 ASP 53 11.721 -0.182 -0.259 428 HB3 ASP 53 HB1 ASP 53 12.611 -1.299 0.765 429 H ARG 54 HN ARG 54 9.491 -0.820 -0.799 430 HA ARG 54 HA ARG 54 8.476 -1.682 1.699 431 HB2 ARG 54 HB2 ARG 54 8.163 0.627 0.572 432 HB3 ARG 54 HB1 ARG 54 6.839 -0.139 -0.296 433 HG2 ARG 54 HG2 ARG 54 5.704 -0.638 1.775 434 HG3 ARG 54 HG1 ARG 54 7.070 -0.032 2.703 435 HD2 ARG 54 HD2 ARG 54 6.687 2.217 1.699 436 HD3 ARG 54 HD1 ARG 54 5.252 1.575 0.903 437 HE ARG 54 HE ARG 54 5.244 1.090 3.709 438 HH11 ARG 54 HH11 ARG 54 4.572 3.681 1.381 439 HH12 ARG 54 HH12 ARG 54 3.391 4.436 2.364 440 HH21 ARG 54 HH21 ARG 54 3.628 2.157 5.039 441 HH22 ARG 54 HH22 ARG 54 2.822 3.536 4.454 442 H ILE 55 HN ILE 55 8.168 -2.977 -1.459 443 HA ILE 55 HA ILE 55 5.711 -4.390 -1.197 444 HB ILE 55 HB ILE 55 8.174 -5.223 -2.776 445 HG12 ILE 55 HG12 ILE 55 5.669 -3.890 -3.764 446 HG13 ILE 55 HG11 ILE 55 7.205 -3.065 -3.527 447 HG21 ILE 55 HG21 ILE 55 6.727 -7.112 -2.373 448 HG22 ILE 55 HG22 ILE 55 6.631 -6.639 -4.073 449 HG23 ILE 55 HG23 ILE 55 5.338 -6.199 -2.958 450 HD11 ILE 55 HD11 ILE 55 8.206 -4.671 -5.198 451 HD12 ILE 55 HD12 ILE 55 6.996 -3.575 -5.844 452 HD13 ILE 55 HD13 ILE 55 6.568 -5.251 -5.500 453 H ALA 56 HN ALA 56 9.071 -5.229 -0.601 454 HA ALA 56 HA ALA 56 8.691 -7.818 0.372 455 HB1 ALA 56 HB1 ALA 56 10.888 -6.878 -0.123 456 HB2 ALA 56 HB2 ALA 56 10.838 -7.558 1.509 457 HB3 ALA 56 HB3 ALA 56 10.749 -5.805 1.272 458 H GLN 57 HN GLN 57 8.724 -4.740 2.109 459 HA GLN 57 HA GLN 57 8.123 -5.751 4.674 460 HB2 GLN 57 HB2 GLN 57 8.892 -3.389 4.015 461 HB3 GLN 57 HB1 GLN 57 7.224 -3.070 3.590 462 HG2 GLN 57 HG2 GLN 57 8.134 -3.889 6.348 463 HG3 GLN 57 HG1 GLN 57 7.960 -2.225 5.824 464 HE21 GLN 57 HE21 GLN 57 6.688 -3.595 7.960 465 HE22 GLN 57 HE22 GLN 57 4.982 -3.572 7.717 466 H PHE 58 HN PHE 58 6.078 -4.645 2.029 467 HA PHE 58 HA PHE 58 3.599 -4.826 3.234 468 HB2 PHE 58 HB2 PHE 58 4.061 -3.692 1.096 469 HB3 PHE 58 HB1 PHE 58 4.267 -5.253 0.327 470 HD1 PHE 58 HD2 PHE 58 1.638 -4.113 2.727 471 HD2 PHE 58 HD1 PHE 58 2.557 -5.391 -1.228 472 HE1 PHE 58 HE2 PHE 58 -0.746 -4.146 2.187 473 HE2 PHE 58 HE1 PHE 58 0.163 -5.419 -1.776 474 HZ PHE 58 HZ PHE 58 -1.496 -4.794 -0.069 475 H TYR 59 HN TYR 59 5.402 -7.318 1.445 476 HA TYR 59 HA TYR 59 3.445 -9.312 1.579 477 HB2 TYR 59 HB2 TYR 59 6.442 -9.527 1.610 478 HB3 TYR 59 HB1 TYR 59 5.417 -10.949 1.761 479 HD1 TYR 59 HD1 TYR 59 3.574 -11.109 -0.178 480 HD2 TYR 59 HD2 TYR 59 7.251 -9.004 -0.444 481 HE1 TYR 59 HE1 TYR 59 3.527 -11.344 -2.628 482 HE2 TYR 59 HE2 TYR 59 7.206 -9.222 -2.883 483 HH TYR 59 HH TYR 59 6.252 -10.627 -4.540 484 H THR 60 HN THR 60 5.927 -8.424 3.952 485 HA THR 60 HA THR 60 5.381 -10.364 5.857 486 HB THR 60 HB THR 60 6.263 -7.498 6.282 487 HG1 THR 60 HG1 THR 60 8.358 -8.452 6.233 488 HG21 THR 60 HG21 THR 60 5.572 -8.600 8.365 489 HG22 THR 60 HG22 THR 60 7.320 -8.358 8.332 490 HG23 THR 60 HG23 THR 60 6.641 -9.953 8.004 491 H ASP 61 HN ASP 61 4.033 -7.059 5.612 492 HA ASP 61 HA ASP 61 2.352 -7.312 7.910 493 HB2 ASP 61 HB2 ASP 61 3.243 -5.155 7.100 494 HB3 ASP 61 HB1 ASP 61 2.234 -5.289 5.670 495 H LEU 62 HN LEU 62 1.727 -7.497 4.459 496 HA LEU 62 HA LEU 62 -1.069 -7.606 4.490 497 HB2 LEU 62 HB2 LEU 62 0.360 -7.160 2.530 498 HB3 LEU 62 HB1 LEU 62 0.856 -8.834 2.532 499 HG LEU 62 HG LEU 62 -1.477 -9.490 2.034 500 HD11 LEU 62 HD11 LEU 62 -3.036 -7.760 1.316 501 HD12 LEU 62 HD12 LEU 62 -1.880 -6.519 1.799 502 HD13 LEU 62 HD13 LEU 62 -2.603 -7.575 3.014 503 HD21 LEU 62 HD21 LEU 62 0.165 -9.214 0.253 504 HD22 LEU 62 HD22 LEU 62 -0.242 -7.502 0.133 505 HD23 LEU 62 HD23 LEU 62 -1.442 -8.726 -0.282 506 H ASN 63 HN ASN 63 1.347 -10.097 4.944 507 HA ASN 63 HA ASN 63 -0.446 -12.294 4.552 508 HB2 ASN 63 HB2 ASN 63 2.346 -12.118 5.640 509 HB3 ASN 63 HB1 ASN 63 1.423 -13.612 5.738 510 HD21 ASN 63 HD21 ASN 63 0.991 -11.515 2.997 511 HD22 ASN 63 HD22 ASN 63 1.841 -12.503 1.864 512 H ILE 64 HN ILE 64 0.100 -10.223 7.215 513 HA ILE 64 HA ILE 64 -1.145 -12.200 8.987 514 HB ILE 64 HB ILE 64 -0.386 -10.854 10.895 515 HG12 ILE 64 HG12 ILE 64 0.919 -9.009 8.874 516 HG13 ILE 64 HG11 ILE 64 -0.527 -8.617 9.796 517 HG21 ILE 64 HG21 ILE 64 1.156 -12.536 10.050 518 HG22 ILE 64 HG22 ILE 64 2.036 -11.133 10.670 519 HG23 ILE 64 HG23 ILE 64 1.845 -11.349 8.935 520 HD11 ILE 64 HD11 ILE 64 2.214 -9.142 10.927 521 HD12 ILE 64 HD12 ILE 64 0.771 -8.730 11.859 522 HD13 ILE 64 HD13 ILE 64 1.452 -7.563 10.724 523 H ASP 65 HN ASP 65 -2.164 -10.112 6.914 524 HA ASP 65 HA ASP 65 -3.752 -8.335 8.528 525 HB2 ASP 65 HB2 ASP 65 -2.758 -7.505 6.442 526 HB3 ASP 65 HB1 ASP 65 -3.693 -8.683 5.527 527 H GLY 66 HN GLY 66 -5.987 -8.170 8.560 528 HA2 GLY 66 HA2 GLY 66 -7.370 -10.730 8.058 529 HA3 GLY 66 HA1 GLY 66 -7.749 -9.593 9.371 530 H ARG 67 HN ARG 67 -7.186 -7.951 6.449 531 HA ARG 67 HA ARG 67 -10.089 -7.866 5.985 532 HB2 ARG 67 HB2 ARG 67 -8.040 -5.820 5.061 533 HB3 ARG 67 HB1 ARG 67 -9.773 -5.716 4.855 534 HG2 ARG 67 HG2 ARG 67 -9.307 -4.219 6.576 535 HG3 ARG 67 HG1 ARG 67 -9.875 -5.657 7.420 536 HD2 ARG 67 HD2 ARG 67 -7.624 -6.325 7.919 537 HD3 ARG 67 HD1 ARG 67 -6.979 -5.021 6.930 538 HE ARG 67 HE ARG 67 -8.642 -4.316 9.201 539 HH11 ARG 67 HH11 ARG 67 -5.384 -4.626 7.818 540 HH12 ARG 67 HH12 ARG 67 -4.669 -3.550 8.908 541 HH21 ARG 67 HH21 ARG 67 -7.609 -2.847 10.755 542 HH22 ARG 67 HH22 ARG 67 -5.950 -2.509 10.568 543 H PHE 68 HN PHE 68 -6.927 -8.028 4.612 544 HA PHE 68 HA PHE 68 -7.783 -8.487 1.952 545 HB2 PHE 68 HB2 PHE 68 -5.261 -8.169 3.372 546 HB3 PHE 68 HB1 PHE 68 -5.206 -9.250 1.981 547 HD1 PHE 68 HD1 PHE 68 -6.397 -5.868 2.987 548 HD2 PHE 68 HD2 PHE 68 -4.956 -8.416 -0.079 549 HE1 PHE 68 HE1 PHE 68 -6.287 -3.957 1.440 550 HE2 PHE 68 HE2 PHE 68 -4.838 -6.550 -1.613 551 HZ PHE 68 HZ PHE 68 -5.506 -4.316 -0.890 552 H LEU 69 HN LEU 69 -7.208 -10.246 0.731 553 HA LEU 69 HA LEU 69 -6.784 -12.818 1.983 554 HB2 LEU 69 HB2 LEU 69 -9.142 -12.653 2.137 555 HB3 LEU 69 HB1 LEU 69 -9.272 -12.022 0.507 556 HG LEU 69 HG LEU 69 -8.493 -14.240 -0.326 557 HD11 LEU 69 HD11 LEU 69 -7.364 -15.031 1.653 558 HD12 LEU 69 HD12 LEU 69 -8.633 -16.150 1.157 559 HD13 LEU 69 HD13 LEU 69 -8.894 -15.073 2.528 560 HD21 LEU 69 HD21 LEU 69 -10.619 -15.334 0.026 561 HD22 LEU 69 HD22 LEU 69 -10.827 -13.614 -0.301 562 HD23 LEU 69 HD23 LEU 69 -10.977 -14.229 1.345 563 H ALA 70 HN ALA 70 -5.574 -14.007 0.616 564 HA ALA 70 HA ALA 70 -5.288 -13.194 -2.150 565 HB1 ALA 70 HB1 ALA 70 -3.704 -15.133 -2.246 566 HB2 ALA 70 HB2 ALA 70 -4.090 -15.492 -0.562 567 HB3 ALA 70 HB3 ALA 70 -3.273 -13.986 -0.976 568 H LEU 71 HN LEU 71 -6.940 -13.728 -3.352 569 HA LEU 71 HA LEU 71 -9.039 -15.316 -2.575 570 HB2 LEU 71 HB2 LEU 71 -8.343 -14.638 -5.422 571 HB3 LEU 71 HB1 LEU 71 -9.904 -15.148 -4.826 572 HG LEU 71 HG LEU 71 -8.499 -12.543 -4.269 573 HD11 LEU 71 HD11 LEU 71 -9.395 -12.653 -6.458 574 HD12 LEU 71 HD12 LEU 71 -10.438 -11.626 -5.457 575 HD13 LEU 71 HD13 LEU 71 -10.930 -13.268 -5.848 576 HD21 LEU 71 HD21 LEU 71 -11.190 -13.496 -3.260 577 HD22 LEU 71 HD22 LEU 71 -10.583 -11.849 -3.176 578 HD23 LEU 71 HD23 LEU 71 -9.763 -13.127 -2.272 579 H SER 72 HN SER 72 -7.496 -16.398 -5.636 580 HA SER 72 HA SER 72 -7.796 -19.049 -4.459 581 HB2 SER 72 HB2 SER 72 -9.041 -18.747 -6.536 582 HB3 SER 72 HB1 SER 72 -7.563 -18.288 -7.378 583 HG SER 72 HG SER 72 -8.558 -20.751 -6.800 584 H ASP 73 HN ASP 73 -5.461 -17.524 -6.732 585 HA ASP 73 HA ASP 73 -3.439 -19.242 -5.400 586 HB2 ASP 73 HB2 ASP 73 -4.060 -20.061 -7.622 587 HB3 ASP 73 HB1 ASP 73 -3.609 -18.517 -8.321 588 H GLN 74 HN GLN 74 -4.208 -16.038 -6.364 589 HA GLN 74 HA GLN 74 -1.760 -14.985 -5.384 590 HB2 GLN 74 HB2 GLN 74 -1.049 -13.972 -7.725 591 HB3 GLN 74 HB1 GLN 74 -0.484 -15.543 -7.193 592 HG2 GLN 74 HG2 GLN 74 -1.118 -15.582 -9.545 593 HG3 GLN 74 HG1 GLN 74 -2.151 -16.637 -8.599 594 HE21 GLN 74 HE21 GLN 74 -3.776 -16.661 -10.010 595 HE22 GLN 74 HE22 GLN 74 -4.803 -15.329 -10.373 596 H THR 75 HN THR 75 -4.806 -14.430 -6.777 597 HA THR 75 HA THR 75 -4.485 -11.612 -7.097 598 HB THR 75 HB THR 75 -7.064 -13.163 -6.881 599 HG1 THR 75 HG1 THR 75 -5.147 -13.020 -8.970 600 HG21 THR 75 HG21 THR 75 -7.897 -11.384 -8.348 601 HG22 THR 75 HG22 THR 75 -6.284 -10.678 -8.409 602 HG23 THR 75 HG23 THR 75 -7.179 -10.695 -6.892 603 H TRP 76 HN TRP 76 -4.720 -10.110 -5.455 604 HA TRP 76 HA TRP 76 -5.716 -11.164 -2.971 605 HB2 TRP 76 HB2 TRP 76 -4.084 -8.708 -3.622 606 HB3 TRP 76 HB1 TRP 76 -4.813 -8.976 -2.045 607 HD1 TRP 76 HD1 TRP 76 -2.050 -10.334 -4.327 608 HE1 TRP 76 HE1 TRP 76 -0.419 -11.735 -2.915 609 HE3 TRP 76 HE3 TRP 76 -4.611 -10.369 0.103 610 HZ2 TRP 76 HZ2 TRP 76 -0.230 -12.723 -0.263 611 HZ3 TRP 76 HZ3 TRP 76 -3.635 -11.556 2.020 612 HH2 TRP 76 HH2 TRP 76 -1.494 -12.711 1.835 613 H GLY 77 HN GLY 77 -7.088 -9.771 -1.757 614 HA2 GLY 77 HA2 GLY 77 -8.490 -7.642 -2.863 615 HA3 GLY 77 HA1 GLY 77 -9.402 -9.141 -3.094 616 H LEU 78 HN LEU 78 -10.970 -8.479 -1.652 617 HA LEU 78 HA LEU 78 -10.074 -8.250 1.116 618 HB2 LEU 78 HB2 LEU 78 -12.700 -7.419 -0.123 619 HB3 LEU 78 HB1 LEU 78 -12.279 -7.250 1.567 620 HG LEU 78 HG LEU 78 -10.956 -5.805 -0.734 621 HD11 LEU 78 HD11 LEU 78 -12.011 -3.818 0.200 622 HD12 LEU 78 HD12 LEU 78 -12.816 -4.818 1.410 623 HD13 LEU 78 HD13 LEU 78 -13.202 -5.018 -0.300 624 HD21 LEU 78 HD21 LEU 78 -9.358 -6.194 1.071 625 HD22 LEU 78 HD22 LEU 78 -10.515 -5.560 2.242 626 HD23 LEU 78 HD23 LEU 78 -9.833 -4.494 1.017 627 H ARG 79 HN ARG 79 -10.787 -9.625 2.580 628 HA ARG 79 HA ARG 79 -11.713 -12.180 1.723 629 HB2 ARG 79 HB2 ARG 79 -10.059 -11.657 3.574 630 HB3 ARG 79 HB1 ARG 79 -11.405 -11.055 4.502 631 HG2 ARG 79 HG2 ARG 79 -12.407 -13.212 4.608 632 HG3 ARG 79 HG1 ARG 79 -11.206 -13.874 3.498 633 HD2 ARG 79 HD2 ARG 79 -10.575 -14.498 5.698 634 HD3 ARG 79 HD1 ARG 79 -9.443 -13.276 5.142 635 HE ARG 79 HE ARG 79 -11.645 -12.228 6.689 636 HH11 ARG 79 HH11 ARG 79 -8.253 -13.275 6.801 637 HH12 ARG 79 HH12 ARG 79 -8.028 -12.846 8.418 638 HH21 ARG 79 HH21 ARG 79 -11.334 -11.631 8.886 639 HH22 ARG 79 HH22 ARG 79 -9.832 -11.856 9.659 640 H SER 80 HN SER 80 -13.093 -9.280 2.938 641 HA SER 80 HA SER 80 -15.368 -10.321 4.177 642 HB2 SER 80 HB2 SER 80 -15.869 -7.791 4.038 643 HB3 SER 80 HB1 SER 80 -14.559 -8.386 5.062 644 HG SER 80 HG SER 80 -13.738 -6.746 3.869 645 H TRP 81 HN TRP 81 -14.672 -9.739 0.845 646 HA TRP 81 HA TRP 81 -17.245 -8.792 -0.006 647 HB2 TRP 81 HB2 TRP 81 -15.142 -10.288 -1.532 648 HB3 TRP 81 HB1 TRP 81 -16.640 -9.724 -2.237 649 HD1 TRP 81 HD1 TRP 81 -16.586 -6.754 -0.985 650 HE1 TRP 81 HE1 TRP 81 -14.909 -5.100 -1.989 651 HE3 TRP 81 HE3 TRP 81 -13.316 -10.116 -2.986 652 HZ2 TRP 81 HZ2 TRP 81 -12.516 -5.216 -3.482 653 HZ3 TRP 81 HZ3 TRP 81 -11.358 -9.263 -4.207 654 HH2 TRP 81 HH2 TRP 81 -10.964 -6.866 -4.438 655 H TYR 82 HN TYR 82 -16.176 -11.794 1.027 656 HA TYR 82 HA TYR 82 -18.512 -13.118 -0.122 657 HB2 TYR 82 HB2 TYR 82 -15.817 -14.448 0.185 658 HB3 TYR 82 HB1 TYR 82 -17.203 -15.007 -0.721 659 HD1 TYR 82 HD2 TYR 82 -14.283 -12.789 -0.738 660 HD2 TYR 82 HD1 TYR 82 -17.568 -14.227 -3.017 661 HE1 TYR 82 HE2 TYR 82 -13.198 -12.001 -2.759 662 HE2 TYR 82 HE1 TYR 82 -16.481 -13.417 -5.072 663 HH TYR 82 HH TYR 82 -13.242 -12.567 -5.162 Start of MODEL 4 1 H1 GLY 2 HT1 GLY 2 -13.583 8.044 -0.787 2 H2 GLY 2 HT2 GLY 2 -12.538 6.686 -0.773 3 H3 GLY 2 HT3 GLY 2 -12.899 7.447 -2.216 4 HA2 GLY 2 HA1 GLY 2 -11.754 9.425 -1.542 5 HA3 GLY 2 HA2 GLY 2 -11.365 8.626 -0.019 6 H ILE 3 HN ILE 3 -9.259 8.507 -0.250 7 HA ILE 3 HA ILE 3 -7.231 7.863 -0.783 8 HB ILE 3 HB ILE 3 -8.587 5.570 -0.634 9 HG12 ILE 3 HG12 ILE 3 -6.248 5.893 0.094 10 HG13 ILE 3 HG11 ILE 3 -6.502 4.323 -0.639 11 HG21 ILE 3 HG21 ILE 3 -7.514 5.410 -3.443 12 HG22 ILE 3 HG22 ILE 3 -9.207 5.330 -2.951 13 HG23 ILE 3 HG23 ILE 3 -8.095 4.036 -2.504 14 HD11 ILE 3 HD11 ILE 3 -5.415 5.070 -2.660 15 HD12 ILE 3 HD12 ILE 3 -4.365 5.357 -1.264 16 HD13 ILE 3 HD13 ILE 3 -5.251 6.692 -2.002 17 H LYS 4 HN LYS 4 -9.155 7.643 -3.695 18 HA LYS 4 HA LYS 4 -6.946 7.790 -5.531 19 HB2 LYS 4 HB2 LYS 4 -9.065 6.485 -5.763 20 HB3 LYS 4 HB1 LYS 4 -9.935 7.990 -5.911 21 HG2 LYS 4 HG2 LYS 4 -8.918 8.434 -8.033 22 HG3 LYS 4 HG1 LYS 4 -7.830 7.049 -7.851 23 HD2 LYS 4 HD2 LYS 4 -9.742 5.532 -7.802 24 HD3 LYS 4 HD1 LYS 4 -10.843 6.897 -7.943 25 HE2 LYS 4 HE2 LYS 4 -10.489 5.679 -10.063 26 HE3 LYS 4 HE1 LYS 4 -10.043 7.377 -10.152 27 HZ1 LYS 4 HZ1 LYS 4 -8.006 5.278 -9.611 28 HZ2 LYS 4 HZ2 LYS 4 -7.783 6.842 -10.176 29 HZ3 LYS 4 HZ3 LYS 4 -8.512 5.671 -11.165 30 H GLN 5 HN GLN 5 -7.284 10.009 -3.685 31 HA GLN 5 HA GLN 5 -7.280 12.245 -5.544 32 HB2 GLN 5 HB2 GLN 5 -8.809 13.567 -4.069 33 HB3 GLN 5 HB1 GLN 5 -9.576 12.244 -4.944 34 HG2 GLN 5 HG2 GLN 5 -9.561 10.878 -2.931 35 HG3 GLN 5 HG1 GLN 5 -8.700 12.134 -2.058 36 HE21 GLN 5 HE21 GLN 5 -11.337 12.827 -4.276 37 HE22 GLN 5 HE22 GLN 5 -12.454 13.306 -3.061 38 H TYR 6 HN TYR 6 -5.550 10.687 -3.465 39 HA TYR 6 HA TYR 6 -4.944 12.942 -1.691 40 HB2 TYR 6 HB2 TYR 6 -4.013 10.081 -1.457 41 HB3 TYR 6 HB1 TYR 6 -3.663 11.370 -0.316 42 HD1 TYR 6 HD2 TYR 6 -6.736 12.381 -0.793 43 HD2 TYR 6 HD1 TYR 6 -4.860 8.786 0.486 44 HE1 TYR 6 HE2 TYR 6 -8.775 11.753 0.403 45 HE2 TYR 6 HE1 TYR 6 -6.906 8.152 1.683 46 HH TYR 6 HH TYR 6 -8.914 9.249 2.622 47 H SER 7 HN SER 7 -2.878 13.684 -1.392 48 HA SER 7 HA SER 7 -1.217 13.436 -3.754 49 HB2 SER 7 HB2 SER 7 -1.987 15.686 -2.942 50 HB3 SER 7 HB1 SER 7 -1.109 15.407 -1.444 51 HG SER 7 HG SER 7 0.275 15.276 -3.928 52 H GLN 8 HN GLN 8 1.230 13.865 -2.942 53 HA GLN 8 HA GLN 8 2.118 11.396 -2.128 54 HB2 GLN 8 HB2 GLN 8 3.485 14.012 -2.331 55 HB3 GLN 8 HB1 GLN 8 4.332 12.558 -1.818 56 HG2 GLN 8 HG2 GLN 8 3.850 11.465 -3.791 57 HG3 GLN 8 HG1 GLN 8 2.794 12.714 -4.405 58 HE21 GLN 8 HE21 GLN 8 4.766 14.776 -3.329 59 HE22 GLN 8 HE22 GLN 8 6.091 14.713 -4.428 60 H GLU 9 HN GLU 9 2.094 14.333 -0.044 61 HA GLU 9 HA GLU 9 3.475 13.304 2.133 62 HB2 GLU 9 HB2 GLU 9 1.097 15.175 2.210 63 HB3 GLU 9 HB1 GLU 9 2.184 14.882 3.550 64 HG2 GLU 9 HG2 GLU 9 2.823 16.948 2.615 65 HG3 GLU 9 HG1 GLU 9 4.004 15.737 2.107 66 H GLU 10 HN GLU 10 0.163 13.128 1.349 67 HA GLU 10 HA GLU 10 -0.897 11.902 3.662 68 HB2 GLU 10 HB2 GLU 10 -2.097 13.014 1.721 69 HB3 GLU 10 HB1 GLU 10 -1.834 11.513 0.837 70 HG2 GLU 10 HG2 GLU 10 -4.036 11.388 1.706 71 HG3 GLU 10 HG1 GLU 10 -3.051 10.364 2.752 72 H LEU 11 HN LEU 11 -0.018 10.587 0.525 73 HA LEU 11 HA LEU 11 -0.591 7.898 1.176 74 HB2 LEU 11 HB2 LEU 11 0.924 9.006 -1.175 75 HB3 LEU 11 HB1 LEU 11 0.251 7.389 -0.961 76 HG LEU 11 HG LEU 11 -1.496 9.833 -0.936 77 HD11 LEU 11 HD11 LEU 11 -0.828 8.055 -3.269 78 HD12 LEU 11 HD12 LEU 11 -0.360 9.745 -3.084 79 HD13 LEU 11 HD13 LEU 11 -2.062 9.312 -3.247 80 HD21 LEU 11 HD21 LEU 11 -2.028 6.890 -1.330 81 HD22 LEU 11 HD22 LEU 11 -3.233 8.160 -1.466 82 HD23 LEU 11 HD23 LEU 11 -2.455 7.851 0.086 83 H LYS 12 HN LYS 12 2.366 9.749 1.081 84 HA LYS 12 HA LYS 12 4.272 7.686 1.261 85 HB2 LYS 12 HB2 LYS 12 4.207 10.569 2.019 86 HB3 LYS 12 HB1 LYS 12 5.594 9.639 2.495 87 HG2 LYS 12 HG2 LYS 12 4.669 9.809 -0.366 88 HG3 LYS 12 HG1 LYS 12 5.731 11.013 0.356 89 HD2 LYS 12 HD2 LYS 12 7.321 9.154 0.921 90 HD3 LYS 12 HD1 LYS 12 6.281 8.068 -0.003 91 HE2 LYS 12 HE2 LYS 12 6.671 9.344 -2.033 92 HE3 LYS 12 HE1 LYS 12 7.548 10.567 -1.127 93 HZ1 LYS 12 HZ1 LYS 12 8.500 7.741 -1.534 94 HZ2 LYS 12 HZ2 LYS 12 9.250 8.916 -0.632 95 HZ3 LYS 12 HZ3 LYS 12 9.099 9.139 -2.266 96 H GLU 13 HN GLU 13 2.280 9.226 3.690 97 HA GLU 13 HA GLU 13 3.854 8.009 5.817 98 HB2 GLU 13 HB2 GLU 13 1.664 10.060 5.956 99 HB3 GLU 13 HB1 GLU 13 2.597 9.473 7.324 100 HG2 GLU 13 HG2 GLU 13 3.699 10.952 4.940 101 HG3 GLU 13 HG1 GLU 13 3.411 11.635 6.539 102 H MET 14 HN MET 14 0.724 7.680 4.329 103 HA MET 14 HA MET 14 -0.399 6.261 6.565 104 HB2 MET 14 HB2 MET 14 -2.354 5.859 5.170 105 HB3 MET 14 HB1 MET 14 -1.877 7.545 5.073 106 HG2 MET 14 HG2 MET 14 -0.787 7.078 2.931 107 HG3 MET 14 HG1 MET 14 -1.345 5.412 3.025 108 HE1 MET 14 HE1 MET 14 -5.259 5.878 2.817 109 HE2 MET 14 HE2 MET 14 -4.304 5.839 4.296 110 HE3 MET 14 HE3 MET 14 -3.942 4.716 2.981 111 H ALA 15 HN ALA 15 -1.430 4.047 6.171 112 HA ALA 15 HA ALA 15 0.757 2.267 5.648 113 HB1 ALA 15 HB1 ALA 15 -2.079 1.666 6.489 114 HB2 ALA 15 HB2 ALA 15 -0.726 1.954 7.580 115 HB3 ALA 15 HB3 ALA 15 -0.724 0.540 6.529 116 H LEU 16 HN LEU 16 1.053 1.011 3.945 117 HA LEU 16 HA LEU 16 -0.501 1.525 1.643 118 HB2 LEU 16 HB2 LEU 16 0.976 -0.048 0.393 119 HB3 LEU 16 HB1 LEU 16 1.828 1.259 1.167 120 HG LEU 16 HG LEU 16 1.766 -1.563 2.277 121 HD11 LEU 16 HD11 LEU 16 3.992 -1.784 1.254 122 HD12 LEU 16 HD12 LEU 16 3.789 -0.215 0.480 123 HD13 LEU 16 HD13 LEU 16 2.740 -1.563 0.034 124 HD21 LEU 16 HD21 LEU 16 3.825 -0.819 3.419 125 HD22 LEU 16 HD22 LEU 16 2.443 0.128 3.925 126 HD23 LEU 16 HD23 LEU 16 3.596 0.802 2.771 127 H VAL 17 HN VAL 17 -0.676 -0.917 4.003 128 HA VAL 17 HA VAL 17 -2.166 -2.760 2.441 129 HB VAL 17 HB VAL 17 -1.123 -3.367 4.655 130 HG11 VAL 17 HG11 VAL 17 -1.700 -1.416 5.966 131 HG12 VAL 17 HG12 VAL 17 -2.281 -2.884 6.749 132 HG13 VAL 17 HG13 VAL 17 -3.408 -1.845 5.878 133 HG21 VAL 17 HG21 VAL 17 -4.077 -3.932 4.433 134 HG22 VAL 17 HG22 VAL 17 -2.945 -4.836 5.437 135 HG23 VAL 17 HG23 VAL 17 -2.774 -4.850 3.682 136 H GLU 18 HN GLU 18 -3.016 0.112 4.214 137 HA GLU 18 HA GLU 18 -5.815 -0.243 3.851 138 HB2 GLU 18 HB2 GLU 18 -4.125 2.008 4.844 139 HB3 GLU 18 HB1 GLU 18 -5.814 2.295 4.435 140 HG2 GLU 18 HG2 GLU 18 -4.863 0.203 6.370 141 HG3 GLU 18 HG1 GLU 18 -5.449 1.805 6.825 142 H ILE 19 HN ILE 19 -3.272 1.456 2.186 143 HA ILE 19 HA ILE 19 -4.814 2.803 0.276 144 HB ILE 19 HB ILE 19 -2.058 1.558 -0.045 145 HG12 ILE 19 HG12 ILE 19 -2.868 4.399 0.629 146 HG13 ILE 19 HG11 ILE 19 -2.224 3.228 1.768 147 HG21 ILE 19 HG21 ILE 19 -1.737 3.130 -1.916 148 HG22 ILE 19 HG22 ILE 19 -3.426 3.625 -1.777 149 HG23 ILE 19 HG23 ILE 19 -3.027 1.969 -2.230 150 HD11 ILE 19 HD11 ILE 19 -0.520 4.815 1.087 151 HD12 ILE 19 HD12 ILE 19 -0.783 4.393 -0.601 152 HD13 ILE 19 HD13 ILE 19 -0.108 3.201 0.502 153 H ALA 20 HN ALA 20 -3.425 -0.455 0.211 154 HA ALA 20 HA ALA 20 -4.561 -1.193 -2.260 155 HB1 ALA 20 HB1 ALA 20 -3.688 -2.988 0.007 156 HB2 ALA 20 HB2 ALA 20 -2.620 -2.318 -1.221 157 HB3 ALA 20 HB3 ALA 20 -3.885 -3.453 -1.686 158 H HIS 21 HN HIS 21 -5.640 -1.571 1.078 159 HA HIS 21 HA HIS 21 -7.922 -3.107 0.759 160 HB2 HIS 21 HB2 HIS 21 -7.038 -2.464 2.954 161 HB3 HIS 21 HB1 HIS 21 -7.444 -0.783 2.610 162 HD1 HIS 21 HD1 HIS 21 -8.621 -1.159 5.055 163 HD2 HIS 21 HD2 HIS 21 -10.452 -3.013 1.823 164 HE1 HIS 21 HE1 HIS 21 -10.964 -1.726 5.816 165 HE2 HIS 21 HE2 HIS 21 -12.098 -2.507 3.725 166 H GLU 22 HN GLU 22 -7.592 0.409 0.556 167 HA GLU 22 HA GLU 22 -10.240 1.030 -0.076 168 HB2 GLU 22 HB2 GLU 22 -7.691 2.422 -0.792 169 HB3 GLU 22 HB1 GLU 22 -9.290 3.121 -0.977 170 HG2 GLU 22 HG2 GLU 22 -7.980 2.315 1.614 171 HG3 GLU 22 HG1 GLU 22 -8.260 3.961 1.043 172 H LEU 23 HN LEU 23 -7.460 0.331 -2.106 173 HA LEU 23 HA LEU 23 -8.471 0.918 -4.627 174 HB2 LEU 23 HB2 LEU 23 -6.123 0.455 -4.092 175 HB3 LEU 23 HB1 LEU 23 -6.514 -1.210 -3.762 176 HG LEU 23 HG LEU 23 -6.845 -1.648 -6.169 177 HD11 LEU 23 HD11 LEU 23 -7.810 0.566 -6.769 178 HD12 LEU 23 HD12 LEU 23 -6.455 0.108 -7.804 179 HD13 LEU 23 HD13 LEU 23 -6.218 1.289 -6.521 180 HD21 LEU 23 HD21 LEU 23 -4.575 -1.195 -6.891 181 HD22 LEU 23 HD22 LEU 23 -4.627 -1.749 -5.208 182 HD23 LEU 23 HD23 LEU 23 -4.401 -0.039 -5.564 183 H PHE 24 HN PHE 24 -8.645 -2.060 -2.806 184 HA PHE 24 HA PHE 24 -10.116 -3.414 -4.859 185 HB2 PHE 24 HB2 PHE 24 -9.352 -4.258 -2.093 186 HB3 PHE 24 HB1 PHE 24 -10.341 -5.262 -3.161 187 HD1 PHE 24 HD1 PHE 24 -9.468 -5.998 -5.293 188 HD2 PHE 24 HD2 PHE 24 -7.053 -4.032 -2.442 189 HE1 PHE 24 HE1 PHE 24 -7.487 -6.771 -6.460 190 HE2 PHE 24 HE2 PHE 24 -5.033 -4.807 -3.602 191 HZ PHE 24 HZ PHE 24 -5.255 -6.184 -5.630 192 H GLU 25 HN GLU 25 -10.957 -1.933 -1.853 193 HA GLU 25 HA GLU 25 -13.686 -2.635 -1.799 194 HB2 GLU 25 HB2 GLU 25 -12.552 -1.649 0.126 195 HB3 GLU 25 HB1 GLU 25 -12.231 -0.182 -0.773 196 HG2 GLU 25 HG2 GLU 25 -14.014 0.088 0.882 197 HG3 GLU 25 HG1 GLU 25 -14.569 0.378 -0.762 198 H GLU 26 HN GLU 26 -11.924 -0.071 -3.367 199 HA GLU 26 HA GLU 26 -14.133 1.256 -4.523 200 HB2 GLU 26 HB2 GLU 26 -11.305 1.480 -4.391 201 HB3 GLU 26 HB1 GLU 26 -11.788 1.703 -6.052 202 HG2 GLU 26 HG2 GLU 26 -12.802 3.215 -3.641 203 HG3 GLU 26 HG1 GLU 26 -11.677 3.825 -4.855 204 H HIS 27 HN HIS 27 -11.720 -0.978 -5.877 205 HA HIS 27 HA HIS 27 -12.838 -0.964 -8.485 206 HB2 HIS 27 HB2 HIS 27 -10.449 -1.499 -7.938 207 HB3 HIS 27 HB1 HIS 27 -10.989 -3.047 -7.308 208 HD1 HIS 27 HD1 HIS 27 -10.609 -4.884 -8.959 209 HD2 HIS 27 HD2 HIS 27 -11.435 -1.250 -10.819 210 HE1 HIS 27 HE1 HIS 27 -10.444 -5.320 -11.419 211 HE2 HIS 27 HE2 HIS 27 -10.539 -3.037 -12.430 212 H LYS 28 HN LYS 28 -13.278 -3.103 -5.718 213 HA LYS 28 HA LYS 28 -14.764 -4.662 -5.190 214 HB2 LYS 28 HB2 LYS 28 -16.352 -3.374 -7.408 215 HB3 LYS 28 HB1 LYS 28 -17.013 -4.585 -6.314 216 HG2 LYS 28 HG2 LYS 28 -16.677 -3.161 -4.420 217 HG3 LYS 28 HG1 LYS 28 -15.792 -1.994 -5.398 218 HD2 LYS 28 HD2 LYS 28 -17.801 -1.511 -6.667 219 HD3 LYS 28 HD1 LYS 28 -18.696 -2.724 -5.751 220 HE2 LYS 28 HE2 LYS 28 -19.140 -0.452 -4.935 221 HE3 LYS 28 HE1 LYS 28 -18.373 -1.458 -3.711 222 HZ1 LYS 28 HZ1 LYS 28 -16.957 0.576 -5.382 223 HZ2 LYS 28 HZ2 LYS 28 -16.273 -0.367 -4.142 224 HZ3 LYS 28 HZ3 LYS 28 -17.435 0.753 -3.779 225 H LYS 29 HN LYS 29 -12.798 -5.125 -7.361 226 HA LYS 29 HA LYS 29 -13.679 -7.775 -8.008 227 HB2 LYS 29 HB2 LYS 29 -12.526 -5.845 -10.042 228 HB3 LYS 29 HB1 LYS 29 -12.517 -7.582 -10.249 229 HG2 LYS 29 HG2 LYS 29 -15.012 -7.527 -10.189 230 HG3 LYS 29 HG1 LYS 29 -14.918 -5.763 -10.144 231 HD2 LYS 29 HD2 LYS 29 -15.262 -6.487 -12.438 232 HD3 LYS 29 HD1 LYS 29 -13.643 -5.808 -12.277 233 HE2 LYS 29 HE2 LYS 29 -12.736 -8.136 -12.076 234 HE3 LYS 29 HE1 LYS 29 -14.365 -8.752 -12.344 235 HZ1 LYS 29 HZ1 LYS 29 -12.754 -7.133 -14.229 236 HZ2 LYS 29 HZ2 LYS 29 -14.306 -7.665 -14.542 237 HZ3 LYS 29 HZ3 LYS 29 -13.036 -8.781 -14.364 238 HA PRO 30 HA PRO 30 -9.576 -8.367 -6.461 239 HB2 PRO 30 HB2 PRO 30 -9.361 -10.923 -7.853 240 HB3 PRO 30 HB1 PRO 30 -9.621 -10.605 -6.147 241 HG2 PRO 30 HG2 PRO 30 -11.551 -11.675 -7.717 242 HG3 PRO 30 HG1 PRO 30 -11.896 -10.650 -6.321 243 HD2 PRO 30 HD2 PRO 30 -11.833 -9.935 -9.212 244 HD3 PRO 30 HD1 PRO 30 -13.031 -9.530 -7.959 245 H VAL 31 HN VAL 31 -7.408 -8.417 -7.027 246 HA VAL 31 HA VAL 31 -6.750 -8.140 -9.858 247 HB VAL 31 HB VAL 31 -6.062 -6.058 -7.732 248 HG11 VAL 31 HG11 VAL 31 -4.259 -6.335 -9.272 249 HG12 VAL 31 HG12 VAL 31 -5.046 -4.770 -9.503 250 HG13 VAL 31 HG13 VAL 31 -5.350 -6.087 -10.637 251 HG21 VAL 31 HG21 VAL 31 -7.375 -4.473 -9.054 252 HG22 VAL 31 HG22 VAL 31 -8.373 -5.807 -8.473 253 HG23 VAL 31 HG23 VAL 31 -7.839 -5.772 -10.154 254 HA PRO 32 HA PRO 32 -3.264 -10.534 -8.289 255 HB2 PRO 32 HB2 PRO 32 -1.542 -10.013 -10.398 256 HB3 PRO 32 HB1 PRO 32 -2.756 -11.295 -10.392 257 HG2 PRO 32 HG2 PRO 32 -2.863 -8.577 -11.608 258 HG3 PRO 32 HG1 PRO 32 -3.486 -10.111 -12.242 259 HD2 PRO 32 HD2 PRO 32 -5.082 -8.251 -11.137 260 HD3 PRO 32 HD1 PRO 32 -5.416 -9.983 -10.957 261 H PHE 33 HN PHE 33 -1.178 -10.181 -7.482 262 HA PHE 33 HA PHE 33 -0.801 -7.911 -5.983 263 HB2 PHE 33 HB2 PHE 33 0.213 -10.172 -5.614 264 HB3 PHE 33 HB1 PHE 33 1.384 -9.795 -6.879 265 HD1 PHE 33 HD1 PHE 33 0.287 -9.068 -3.458 266 HD2 PHE 33 HD2 PHE 33 3.239 -8.302 -6.427 267 HE1 PHE 33 HE1 PHE 33 1.759 -8.114 -1.736 268 HE2 PHE 33 HE2 PHE 33 4.716 -7.341 -4.714 269 HZ PHE 33 HZ PHE 33 3.978 -7.257 -2.348 270 H GLN 34 HN GLN 34 0.666 -8.691 -9.088 271 HA GLN 34 HA GLN 34 2.421 -6.505 -9.150 272 HB2 GLN 34 HB2 GLN 34 1.339 -8.250 -11.337 273 HB3 GLN 34 HB1 GLN 34 2.476 -6.941 -11.652 274 HG2 GLN 34 HG2 GLN 34 3.016 -9.114 -9.659 275 HG3 GLN 34 HG1 GLN 34 3.473 -9.243 -11.360 276 HE21 GLN 34 HE21 GLN 34 3.922 -7.354 -8.447 277 HE22 GLN 34 HE22 GLN 34 5.499 -6.779 -8.847 278 H GLU 35 HN GLU 35 -0.968 -6.702 -10.231 279 HA GLU 35 HA GLU 35 -0.672 -4.274 -11.725 280 HB2 GLU 35 HB2 GLU 35 -3.165 -5.754 -10.911 281 HB3 GLU 35 HB1 GLU 35 -3.078 -4.413 -12.046 282 HG2 GLU 35 HG2 GLU 35 -1.754 -7.078 -12.421 283 HG3 GLU 35 HG1 GLU 35 -3.298 -6.609 -13.136 284 H LEU 36 HN LEU 36 -2.006 -5.307 -8.634 285 HA LEU 36 HA LEU 36 -3.171 -2.844 -7.978 286 HB2 LEU 36 HB2 LEU 36 -3.370 -3.671 -5.702 287 HB3 LEU 36 HB1 LEU 36 -3.760 -4.943 -6.825 288 HG LEU 36 HG LEU 36 -1.276 -5.704 -6.377 289 HD11 LEU 36 HD11 LEU 36 -0.526 -5.297 -4.093 290 HD12 LEU 36 HD12 LEU 36 -1.848 -4.156 -3.861 291 HD13 LEU 36 HD13 LEU 36 -0.582 -3.813 -5.042 292 HD21 LEU 36 HD21 LEU 36 -3.209 -7.051 -5.849 293 HD22 LEU 36 HD22 LEU 36 -3.494 -6.104 -4.386 294 HD23 LEU 36 HD23 LEU 36 -2.058 -7.108 -4.513 295 H LEU 37 HN LEU 37 0.062 -4.066 -7.611 296 HA LEU 37 HA LEU 37 1.045 -2.150 -5.807 297 HB2 LEU 37 HB2 LEU 37 1.901 -4.402 -6.198 298 HB3 LEU 37 HB1 LEU 37 2.350 -3.943 -7.820 299 HG LEU 37 HG LEU 37 3.988 -2.355 -6.866 300 HD11 LEU 37 HD11 LEU 37 2.910 -1.992 -4.689 301 HD12 LEU 37 HD12 LEU 37 4.568 -2.562 -4.500 302 HD13 LEU 37 HD13 LEU 37 3.221 -3.675 -4.259 303 HD21 LEU 37 HD21 LEU 37 5.536 -4.094 -6.204 304 HD22 LEU 37 HD22 LEU 37 4.582 -4.589 -7.603 305 HD23 LEU 37 HD23 LEU 37 4.201 -5.224 -6.000 306 H ASN 38 HN ASN 38 1.064 -2.566 -9.289 307 HA ASN 38 HA ASN 38 2.708 -0.345 -9.865 308 HB2 ASN 38 HB2 ASN 38 0.921 -2.090 -11.517 309 HB3 ASN 38 HB1 ASN 38 1.804 -0.743 -12.257 310 HD21 ASN 38 HD21 ASN 38 2.001 -3.592 -12.720 311 HD22 ASN 38 HD22 ASN 38 3.600 -4.073 -12.306 312 H GLU 39 HN GLU 39 -0.792 -0.789 -9.804 313 HA GLU 39 HA GLU 39 -1.373 1.819 -10.731 314 HB2 GLU 39 HB2 GLU 39 -3.081 0.001 -9.017 315 HB3 GLU 39 HB1 GLU 39 -3.651 1.408 -9.907 316 HG2 GLU 39 HG2 GLU 39 -2.498 -1.105 -11.105 317 HG3 GLU 39 HG1 GLU 39 -4.198 -0.651 -11.074 318 H ILE 40 HN ILE 40 -1.035 0.422 -7.490 319 HA ILE 40 HA ILE 40 -1.554 2.697 -5.965 320 HB ILE 40 HB ILE 40 0.257 0.320 -5.460 321 HG12 ILE 40 HG12 ILE 40 -2.361 1.164 -4.199 322 HG13 ILE 40 HG11 ILE 40 -2.158 -0.074 -5.433 323 HG21 ILE 40 HG21 ILE 40 1.261 2.169 -4.239 324 HG22 ILE 40 HG22 ILE 40 0.540 0.997 -3.136 325 HG23 ILE 40 HG23 ILE 40 -0.290 2.515 -3.467 326 HD11 ILE 40 HD11 ILE 40 -0.841 -1.416 -3.870 327 HD12 ILE 40 HD12 ILE 40 -2.447 -1.058 -3.231 328 HD13 ILE 40 HD13 ILE 40 -1.043 -0.171 -2.637 329 H ALA 41 HN ALA 41 1.531 1.559 -7.272 330 HA ALA 41 HA ALA 41 3.067 3.707 -6.372 331 HB1 ALA 41 HB1 ALA 41 3.655 2.059 -8.830 332 HB2 ALA 41 HB2 ALA 41 4.041 1.616 -7.156 333 HB3 ALA 41 HB3 ALA 41 4.798 3.029 -7.883 334 H SER 42 HN SER 42 0.964 3.541 -9.089 335 HA SER 42 HA SER 42 2.023 5.956 -10.256 336 HB2 SER 42 HB2 SER 42 -0.703 4.720 -10.749 337 HB3 SER 42 HB1 SER 42 0.159 5.842 -11.804 338 HG SER 42 HG SER 42 1.209 3.299 -11.103 339 H LEU 43 HN LEU 43 -0.886 5.277 -8.333 340 HA LEU 43 HA LEU 43 -1.747 7.950 -8.126 341 HB2 LEU 43 HB2 LEU 43 -3.183 6.095 -7.528 342 HB3 LEU 43 HB1 LEU 43 -2.071 5.576 -6.288 343 HG LEU 43 HG LEU 43 -2.630 7.558 -4.941 344 HD11 LEU 43 HD11 LEU 43 -4.477 9.012 -5.563 345 HD12 LEU 43 HD12 LEU 43 -4.633 8.169 -7.105 346 HD13 LEU 43 HD13 LEU 43 -3.178 9.101 -6.756 347 HD21 LEU 43 HD21 LEU 43 -4.913 6.904 -4.380 348 HD22 LEU 43 HD22 LEU 43 -3.870 5.502 -4.625 349 HD23 LEU 43 HD23 LEU 43 -5.015 5.982 -5.879 350 H LEU 44 HN LEU 44 0.422 6.021 -6.227 351 HA LEU 44 HA LEU 44 1.027 8.082 -4.337 352 HB2 LEU 44 HB2 LEU 44 2.031 5.335 -4.854 353 HB3 LEU 44 HB1 LEU 44 2.963 6.428 -3.867 354 HG LEU 44 HG LEU 44 1.142 6.603 -2.316 355 HD11 LEU 44 HD11 LEU 44 -0.232 4.515 -3.998 356 HD12 LEU 44 HD12 LEU 44 -0.699 6.199 -3.881 357 HD13 LEU 44 HD13 LEU 44 -0.831 5.159 -2.458 358 HD21 LEU 44 HD21 LEU 44 1.303 4.296 -1.436 359 HD22 LEU 44 HD22 LEU 44 2.839 5.011 -1.936 360 HD23 LEU 44 HD23 LEU 44 2.049 3.826 -2.973 361 H GLY 45 HN GLY 45 2.138 9.711 -5.013 362 HA2 GLY 45 HA2 GLY 45 4.282 9.592 -6.875 363 HA3 GLY 45 HA1 GLY 45 4.057 10.883 -5.702 364 H VAL 46 HN VAL 46 5.236 7.693 -6.157 365 HA VAL 46 HA VAL 46 7.382 8.006 -4.197 366 HB VAL 46 HB VAL 46 7.051 5.686 -3.421 367 HG11 VAL 46 HG11 VAL 46 6.061 7.343 -2.026 368 HG12 VAL 46 HG12 VAL 46 4.994 5.938 -2.072 369 HG13 VAL 46 HG13 VAL 46 4.606 7.380 -3.013 370 HG21 VAL 46 HG21 VAL 46 4.544 5.692 -5.119 371 HG22 VAL 46 HG22 VAL 46 4.949 4.444 -3.945 372 HG23 VAL 46 HG23 VAL 46 5.978 4.701 -5.354 373 H LYS 47 HN LYS 47 8.989 6.249 -4.654 374 HA LYS 47 HA LYS 47 9.140 5.574 -7.508 375 HB2 LYS 47 HB2 LYS 47 10.974 4.733 -5.242 376 HB3 LYS 47 HB1 LYS 47 11.301 4.645 -6.953 377 HG2 LYS 47 HG2 LYS 47 10.996 7.204 -5.419 378 HG3 LYS 47 HG1 LYS 47 12.532 6.396 -5.712 379 HD2 LYS 47 HD2 LYS 47 12.050 6.532 -8.126 380 HD3 LYS 47 HD1 LYS 47 10.645 7.549 -7.744 381 HE2 LYS 47 HE2 LYS 47 12.152 9.116 -6.552 382 HE3 LYS 47 HE1 LYS 47 13.523 8.126 -7.034 383 HZ1 LYS 47 HZ1 LYS 47 12.784 8.579 -9.397 384 HZ2 LYS 47 HZ2 LYS 47 13.410 9.892 -8.554 385 HZ3 LYS 47 HZ3 LYS 47 11.752 9.762 -8.739 386 H LYS 48 HN LYS 48 8.795 3.454 -8.242 387 HA LYS 48 HA LYS 48 7.666 1.667 -6.383 388 HB2 LYS 48 HB2 LYS 48 7.006 1.500 -8.786 389 HB3 LYS 48 HB1 LYS 48 8.644 0.995 -9.189 390 HG2 LYS 48 HG2 LYS 48 8.399 -1.069 -8.051 391 HG3 LYS 48 HG1 LYS 48 6.909 -0.548 -7.273 392 HD2 LYS 48 HD2 LYS 48 5.711 -0.657 -9.346 393 HD3 LYS 48 HD1 LYS 48 7.203 -0.943 -10.266 394 HE2 LYS 48 HE2 LYS 48 5.998 -2.748 -8.171 395 HE3 LYS 48 HE1 LYS 48 5.847 -2.973 -9.911 396 HZ1 LYS 48 HZ1 LYS 48 8.239 -3.247 -10.043 397 HZ2 LYS 48 HZ2 LYS 48 7.621 -4.362 -8.957 398 HZ3 LYS 48 HZ3 LYS 48 8.414 -2.995 -8.395 399 H GLU 49 HN GLU 49 10.790 2.387 -7.445 400 HA GLU 49 HA GLU 49 12.431 0.324 -6.576 401 HB2 GLU 49 HB2 GLU 49 12.843 3.262 -5.978 402 HB3 GLU 49 HB1 GLU 49 14.083 2.028 -6.108 403 HG2 GLU 49 HG2 GLU 49 13.680 1.838 -8.498 404 HG3 GLU 49 HG1 GLU 49 12.327 2.949 -8.361 405 H GLU 50 HN GLU 50 11.364 3.120 -4.605 406 HA GLU 50 HA GLU 50 12.293 2.122 -2.129 407 HB2 GLU 50 HB2 GLU 50 11.114 3.998 -1.094 408 HB3 GLU 50 HB1 GLU 50 11.885 4.566 -2.567 409 HG2 GLU 50 HG2 GLU 50 9.728 4.388 -3.741 410 HG3 GLU 50 HG1 GLU 50 8.985 3.844 -2.249 411 H LEU 51 HN LEU 51 9.253 2.045 -3.819 412 HA LEU 51 HA LEU 51 7.754 0.918 -1.730 413 HB2 LEU 51 HB2 LEU 51 6.811 2.136 -3.709 414 HB3 LEU 51 HB1 LEU 51 7.258 0.753 -4.689 415 HG LEU 51 HG LEU 51 5.684 -0.652 -3.417 416 HD11 LEU 51 HD11 LEU 51 5.683 0.536 -1.300 417 HD12 LEU 51 HD12 LEU 51 4.043 0.407 -1.935 418 HD13 LEU 51 HD13 LEU 51 4.920 1.930 -2.064 419 HD21 LEU 51 HD21 LEU 51 4.973 0.401 -5.488 420 HD22 LEU 51 HD22 LEU 51 4.483 1.847 -4.602 421 HD23 LEU 51 HD23 LEU 51 3.634 0.324 -4.341 422 H GLY 52 HN GLY 52 10.058 -0.305 -3.946 423 HA2 GLY 52 HA2 GLY 52 9.298 -3.017 -4.087 424 HA3 GLY 52 HA1 GLY 52 10.903 -2.364 -4.391 425 H ASP 53 HN ASP 53 11.517 -1.235 -2.100 426 HA ASP 53 HA ASP 53 12.334 -3.323 -0.366 427 HB2 ASP 53 HB2 ASP 53 11.803 -0.466 0.500 428 HB3 ASP 53 HB1 ASP 53 12.939 -1.601 1.224 429 H ARG 54 HN ARG 54 9.677 -1.098 -0.275 430 HA ARG 54 HA ARG 54 8.486 -2.170 2.052 431 HB2 ARG 54 HB2 ARG 54 7.439 -0.241 -0.004 432 HB3 ARG 54 HB1 ARG 54 6.389 -0.882 1.245 433 HG2 ARG 54 HG2 ARG 54 7.204 1.318 1.874 434 HG3 ARG 54 HG1 ARG 54 7.855 0.103 2.969 435 HD2 ARG 54 HD2 ARG 54 9.968 0.145 1.794 436 HD3 ARG 54 HD1 ARG 54 9.310 1.260 0.604 437 HE ARG 54 HE ARG 54 9.095 2.340 3.195 438 HH11 ARG 54 HH11 ARG 54 11.467 1.722 0.618 439 HH12 ARG 54 HH12 ARG 54 12.535 2.944 1.085 440 HH21 ARG 54 HH21 ARG 54 10.582 4.085 3.850 441 HH22 ARG 54 HH22 ARG 54 12.020 4.301 2.981 442 H ILE 55 HN ILE 55 8.496 -3.295 -1.186 443 HA ILE 55 HA ILE 55 6.021 -4.701 -1.173 444 HB ILE 55 HB ILE 55 8.583 -5.316 -2.701 445 HG12 ILE 55 HG12 ILE 55 6.020 -4.111 -3.716 446 HG13 ILE 55 HG11 ILE 55 7.457 -3.179 -3.325 447 HG21 ILE 55 HG21 ILE 55 7.280 -7.340 -2.493 448 HG22 ILE 55 HG22 ILE 55 7.221 -6.750 -4.156 449 HG23 ILE 55 HG23 ILE 55 5.846 -6.499 -3.082 450 HD11 ILE 55 HD11 ILE 55 7.127 -5.244 -5.483 451 HD12 ILE 55 HD12 ILE 55 8.678 -4.582 -5.035 452 HD13 ILE 55 HD13 ILE 55 7.429 -3.513 -5.695 453 H ALA 56 HN ALA 56 9.341 -5.513 -0.389 454 HA ALA 56 HA ALA 56 8.956 -8.179 0.369 455 HB1 ALA 56 HB1 ALA 56 11.002 -7.939 1.709 456 HB2 ALA 56 HB2 ALA 56 10.879 -6.183 1.568 457 HB3 ALA 56 HB3 ALA 56 11.170 -7.164 0.132 458 H GLN 57 HN GLN 57 8.924 -5.261 2.343 459 HA GLN 57 HA GLN 57 8.109 -6.451 4.768 460 HB2 GLN 57 HB2 GLN 57 9.019 -4.056 4.225 461 HB3 GLN 57 HB1 GLN 57 7.343 -3.653 3.940 462 HG2 GLN 57 HG2 GLN 57 8.492 -4.652 6.551 463 HG3 GLN 57 HG1 GLN 57 8.132 -2.980 6.168 464 HE21 GLN 57 HE21 GLN 57 6.864 -6.036 7.160 465 HE22 GLN 57 HE22 GLN 57 5.261 -5.477 7.468 466 H PHE 58 HN PHE 58 6.276 -5.116 2.036 467 HA PHE 58 HA PHE 58 3.733 -5.269 3.171 468 HB2 PHE 58 HB2 PHE 58 4.303 -3.877 1.178 469 HB3 PHE 58 HB1 PHE 58 4.420 -5.327 0.222 470 HD1 PHE 58 HD2 PHE 58 1.936 -3.943 2.645 471 HD2 PHE 58 HD1 PHE 58 2.651 -5.624 -1.199 472 HE1 PHE 58 HE2 PHE 58 -0.451 -3.772 2.136 473 HE2 PHE 58 HE1 PHE 58 0.256 -5.452 -1.720 474 HZ PHE 58 HZ PHE 58 -1.303 -4.522 -0.055 475 H TYR 59 HN TYR 59 5.595 -7.681 1.361 476 HA TYR 59 HA TYR 59 3.540 -9.573 1.073 477 HB2 TYR 59 HB2 TYR 59 6.466 -9.954 1.596 478 HB3 TYR 59 HB1 TYR 59 5.386 -11.335 1.426 479 HD1 TYR 59 HD1 TYR 59 3.886 -11.006 -0.896 480 HD2 TYR 59 HD2 TYR 59 7.763 -9.517 -0.102 481 HE1 TYR 59 HE1 TYR 59 4.377 -11.002 -3.316 482 HE2 TYR 59 HE2 TYR 59 8.265 -9.474 -2.494 483 HH TYR 59 HH TYR 59 7.549 -10.590 -4.458 484 H THR 60 HN THR 60 5.853 -9.108 3.738 485 HA THR 60 HA THR 60 4.802 -11.075 5.437 486 HB THR 60 HB THR 60 5.938 -8.454 6.403 487 HG1 THR 60 HG1 THR 60 7.835 -9.011 5.782 488 HG21 THR 60 HG21 THR 60 6.901 -9.891 8.155 489 HG22 THR 60 HG22 THR 60 6.134 -11.297 7.418 490 HG23 THR 60 HG23 THR 60 5.142 -10.011 8.105 491 H ASP 61 HN ASP 61 4.147 -7.609 5.288 492 HA ASP 61 HA ASP 61 2.344 -7.359 7.421 493 HB2 ASP 61 HB2 ASP 61 3.603 -5.510 6.348 494 HB3 ASP 61 HB1 ASP 61 2.589 -5.670 4.927 495 H LEU 62 HN LEU 62 1.778 -7.959 4.015 496 HA LEU 62 HA LEU 62 -1.055 -7.746 4.120 497 HB2 LEU 62 HB2 LEU 62 0.414 -7.347 2.136 498 HB3 LEU 62 HB1 LEU 62 0.678 -9.070 2.049 499 HG LEU 62 HG LEU 62 -1.721 -9.392 1.605 500 HD11 LEU 62 HD11 LEU 62 -1.739 -6.373 1.576 501 HD12 LEU 62 HD12 LEU 62 -2.579 -7.408 2.735 502 HD13 LEU 62 HD13 LEU 62 -3.062 -7.404 1.042 503 HD21 LEU 62 HD21 LEU 62 -1.678 -8.485 -0.664 504 HD22 LEU 62 HD22 LEU 62 -0.127 -9.201 -0.228 505 HD23 LEU 62 HD23 LEU 62 -0.319 -7.448 -0.225 506 H ASN 63 HN ASN 63 1.240 -10.451 4.208 507 HA ASN 63 HA ASN 63 -0.779 -12.460 4.004 508 HB2 ASN 63 HB2 ASN 63 2.099 -12.703 4.939 509 HB3 ASN 63 HB1 ASN 63 0.989 -14.054 4.774 510 HD21 ASN 63 HD21 ASN 63 -0.249 -13.282 2.304 511 HD22 ASN 63 HD22 ASN 63 0.957 -13.420 1.096 512 H ILE 64 HN ILE 64 0.657 -10.777 6.705 513 HA ILE 64 HA ILE 64 -0.579 -12.621 8.561 514 HB ILE 64 HB ILE 64 0.342 -11.242 10.358 515 HG12 ILE 64 HG12 ILE 64 1.402 -9.455 8.147 516 HG13 ILE 64 HG11 ILE 64 0.127 -9.033 9.279 517 HG21 ILE 64 HG21 ILE 64 2.329 -11.866 8.175 518 HG22 ILE 64 HG22 ILE 64 1.737 -12.982 9.408 519 HG23 ILE 64 HG23 ILE 64 2.735 -11.601 9.871 520 HD11 ILE 64 HD11 ILE 64 1.730 -9.147 11.122 521 HD12 ILE 64 HD12 ILE 64 2.242 -7.998 9.888 522 HD13 ILE 64 HD13 ILE 64 3.004 -9.585 9.983 523 H ASP 65 HN ASP 65 -1.561 -9.921 6.871 524 HA ASP 65 HA ASP 65 -3.371 -8.870 8.849 525 HB2 ASP 65 HB2 ASP 65 -2.358 -7.368 7.208 526 HB3 ASP 65 HB1 ASP 65 -3.100 -8.280 5.898 527 H GLY 66 HN GLY 66 -5.686 -8.923 8.712 528 HA2 GLY 66 HA2 GLY 66 -6.638 -11.290 7.255 529 HA3 GLY 66 HA1 GLY 66 -7.247 -10.772 8.841 530 H ARG 67 HN ARG 67 -6.749 -8.122 6.687 531 HA ARG 67 HA ARG 67 -9.652 -7.993 6.239 532 HB2 ARG 67 HB2 ARG 67 -9.442 -5.678 6.093 533 HB3 ARG 67 HB1 ARG 67 -8.063 -6.016 7.117 534 HG2 ARG 67 HG2 ARG 67 -6.708 -6.074 4.926 535 HG3 ARG 67 HG1 ARG 67 -8.108 -5.282 4.205 536 HD2 ARG 67 HD2 ARG 67 -6.565 -3.584 4.871 537 HD3 ARG 67 HD1 ARG 67 -7.918 -3.542 6.009 538 HE ARG 67 HE ARG 67 -5.770 -5.246 6.805 539 HH11 ARG 67 HH11 ARG 67 -6.806 -1.832 6.918 540 HH12 ARG 67 HH12 ARG 67 -5.986 -1.546 8.375 541 HH21 ARG 67 HH21 ARG 67 -4.668 -4.789 8.627 542 HH22 ARG 67 HH22 ARG 67 -4.701 -3.253 9.412 543 H PHE 68 HN PHE 68 -6.718 -8.665 4.803 544 HA PHE 68 HA PHE 68 -7.734 -8.430 2.086 545 HB2 PHE 68 HB2 PHE 68 -5.164 -8.149 3.319 546 HB3 PHE 68 HB1 PHE 68 -5.110 -9.357 2.034 547 HD1 PHE 68 HD1 PHE 68 -5.909 -5.854 2.813 548 HD2 PHE 68 HD2 PHE 68 -5.299 -8.772 -0.202 549 HE1 PHE 68 HE1 PHE 68 -5.831 -4.089 1.109 550 HE2 PHE 68 HE2 PHE 68 -5.219 -7.019 -1.902 551 HZ PHE 68 HZ PHE 68 -5.485 -4.706 -1.269 552 H LEU 69 HN LEU 69 -7.342 -10.181 0.617 553 HA LEU 69 HA LEU 69 -6.945 -12.780 1.812 554 HB2 LEU 69 HB2 LEU 69 -9.346 -12.431 1.978 555 HB3 LEU 69 HB1 LEU 69 -9.415 -12.012 0.287 556 HG LEU 69 HG LEU 69 -8.760 -14.292 -0.337 557 HD11 LEU 69 HD11 LEU 69 -8.872 -14.876 2.613 558 HD12 LEU 69 HD12 LEU 69 -7.439 -14.911 1.582 559 HD13 LEU 69 HD13 LEU 69 -8.736 -16.074 1.328 560 HD21 LEU 69 HD21 LEU 69 -11.120 -13.732 -0.187 561 HD22 LEU 69 HD22 LEU 69 -11.129 -14.151 1.523 562 HD23 LEU 69 HD23 LEU 69 -10.848 -15.401 0.310 563 H ALA 70 HN ALA 70 -5.720 -13.940 0.499 564 HA ALA 70 HA ALA 70 -5.491 -13.269 -2.314 565 HB1 ALA 70 HB1 ALA 70 -3.926 -15.219 -2.351 566 HB2 ALA 70 HB2 ALA 70 -4.260 -15.492 -0.647 567 HB3 ALA 70 HB3 ALA 70 -3.445 -14.008 -1.161 568 H LEU 71 HN LEU 71 -7.122 -13.940 -3.512 569 HA LEU 71 HA LEU 71 -8.989 -15.885 -2.625 570 HB2 LEU 71 HB2 LEU 71 -8.652 -14.826 -5.421 571 HB3 LEU 71 HB1 LEU 71 -10.071 -15.622 -4.781 572 HG LEU 71 HG LEU 71 -9.034 -12.858 -4.247 573 HD11 LEU 71 HD11 LEU 71 -10.274 -13.201 -6.261 574 HD12 LEU 71 HD12 LEU 71 -11.195 -12.243 -5.099 575 HD13 LEU 71 HD13 LEU 71 -11.590 -13.943 -5.349 576 HD21 LEU 71 HD21 LEU 71 -9.835 -13.730 -2.108 577 HD22 LEU 71 HD22 LEU 71 -11.357 -14.211 -2.889 578 HD23 LEU 71 HD23 LEU 71 -10.908 -12.505 -2.793 579 H SER 72 HN SER 72 -9.649 -17.423 -4.710 580 HA SER 72 HA SER 72 -8.506 -19.776 -4.425 581 HB2 SER 72 HB2 SER 72 -9.613 -18.784 -7.025 582 HB3 SER 72 HB1 SER 72 -9.688 -20.419 -6.355 583 HG SER 72 HG SER 72 -11.628 -19.425 -5.915 584 H ASP 73 HN ASP 73 -7.298 -17.386 -6.807 585 HA ASP 73 HA ASP 73 -5.048 -19.226 -7.164 586 HB2 ASP 73 HB2 ASP 73 -4.718 -18.600 -9.509 587 HB3 ASP 73 HB1 ASP 73 -6.331 -19.234 -9.274 588 H GLN 74 HN GLN 74 -5.408 -17.087 -5.344 589 HA GLN 74 HA GLN 74 -4.101 -15.747 -4.230 590 HB2 GLN 74 HB2 GLN 74 -2.077 -16.934 -6.024 591 HB3 GLN 74 HB1 GLN 74 -1.608 -15.437 -5.226 592 HG2 GLN 74 HG2 GLN 74 -0.933 -17.454 -3.973 593 HG3 GLN 74 HG1 GLN 74 -1.994 -16.396 -3.057 594 HE21 GLN 74 HE21 GLN 74 -2.978 -18.671 -5.548 595 HE22 GLN 74 HE22 GLN 74 -3.942 -19.647 -4.516 596 H THR 75 HN THR 75 -5.556 -14.980 -6.538 597 HA THR 75 HA THR 75 -4.621 -12.392 -7.330 598 HB THR 75 HB THR 75 -7.527 -13.026 -6.930 599 HG1 THR 75 HG1 THR 75 -6.341 -14.061 -9.231 600 HG21 THR 75 HG21 THR 75 -7.706 -11.990 -9.146 601 HG22 THR 75 HG22 THR 75 -5.947 -11.883 -9.239 602 HG23 THR 75 HG23 THR 75 -6.826 -10.942 -8.032 603 H TRP 76 HN TRP 76 -5.007 -10.378 -6.026 604 HA TRP 76 HA TRP 76 -5.724 -11.125 -3.347 605 HB2 TRP 76 HB2 TRP 76 -4.284 -8.720 -4.441 606 HB3 TRP 76 HB1 TRP 76 -4.795 -8.875 -2.762 607 HD1 TRP 76 HD1 TRP 76 -2.142 -10.074 -5.192 608 HE1 TRP 76 HE1 TRP 76 -0.361 -11.407 -3.897 609 HE3 TRP 76 HE3 TRP 76 -4.527 -10.459 -0.696 610 HZ2 TRP 76 HZ2 TRP 76 -0.014 -12.483 -1.265 611 HZ3 TRP 76 HZ3 TRP 76 -3.409 -11.639 1.141 612 HH2 TRP 76 HH2 TRP 76 -1.197 -12.626 0.839 613 H GLY 77 HN GLY 77 -7.201 -10.127 -2.216 614 HA2 GLY 77 HA2 GLY 77 -8.756 -8.004 -3.292 615 HA3 GLY 77 HA1 GLY 77 -9.586 -9.562 -3.213 616 H LEU 78 HN LEU 78 -10.977 -8.595 -1.675 617 HA LEU 78 HA LEU 78 -9.683 -8.040 0.888 618 HB2 LEU 78 HB2 LEU 78 -12.400 -7.194 -0.065 619 HB3 LEU 78 HB1 LEU 78 -11.726 -6.863 1.515 620 HG LEU 78 HG LEU 78 -10.753 -5.788 -1.116 621 HD11 LEU 78 HD11 LEU 78 -11.478 -3.647 -0.198 622 HD12 LEU 78 HD12 LEU 78 -12.096 -4.476 1.232 623 HD13 LEU 78 HD13 LEU 78 -12.815 -4.787 -0.348 624 HD21 LEU 78 HD21 LEU 78 -9.216 -4.448 0.210 625 HD22 LEU 78 HD22 LEU 78 -8.866 -6.165 0.379 626 HD23 LEU 78 HD23 LEU 78 -9.704 -5.300 1.675 627 H ARG 79 HN ARG 79 -10.206 -9.074 2.600 628 HA ARG 79 HA ARG 79 -11.744 -11.492 2.500 629 HB2 ARG 79 HB2 ARG 79 -9.691 -10.823 3.971 630 HB3 ARG 79 HB1 ARG 79 -10.858 -9.946 4.936 631 HG2 ARG 79 HG2 ARG 79 -10.400 -12.035 5.983 632 HG3 ARG 79 HG1 ARG 79 -12.041 -12.090 5.340 633 HD2 ARG 79 HD2 ARG 79 -11.421 -13.502 3.570 634 HD3 ARG 79 HD1 ARG 79 -9.708 -13.118 3.764 635 HE ARG 79 HE ARG 79 -10.224 -14.267 6.070 636 HH11 ARG 79 HH11 ARG 79 -11.300 -15.392 2.890 637 HH12 ARG 79 HH12 ARG 79 -10.984 -17.019 3.181 638 HH21 ARG 79 HH21 ARG 79 -9.758 -16.485 6.495 639 HH22 ARG 79 HH22 ARG 79 -10.062 -17.677 5.328 640 H SER 80 HN SER 80 -11.993 -8.155 3.479 641 HA SER 80 HA SER 80 -14.449 -8.222 4.813 642 HB2 SER 80 HB2 SER 80 -13.063 -5.883 3.517 643 HB3 SER 80 HB1 SER 80 -14.139 -5.874 4.920 644 HG SER 80 HG SER 80 -12.521 -6.347 6.141 645 H TRP 81 HN TRP 81 -14.152 -9.016 1.675 646 HA TRP 81 HA TRP 81 -16.366 -7.414 0.611 647 HB2 TRP 81 HB2 TRP 81 -14.708 -9.635 -0.532 648 HB3 TRP 81 HB1 TRP 81 -16.226 -9.170 -1.270 649 HD1 TRP 81 HD1 TRP 81 -15.656 -5.947 -0.922 650 HE1 TRP 81 HE1 TRP 81 -14.032 -4.905 -2.610 651 HE3 TRP 81 HE3 TRP 81 -13.220 -10.205 -2.382 652 HZ2 TRP 81 HZ2 TRP 81 -12.027 -5.767 -4.357 653 HZ3 TRP 81 HZ3 TRP 81 -11.476 -9.989 -4.113 654 HH2 TRP 81 HH2 TRP 81 -10.896 -7.773 -5.058 655 H TYR 82 HN TYR 82 -15.803 -10.256 2.344 656 HA TYR 82 HA TYR 82 -18.469 -11.258 1.706 657 HB2 TYR 82 HB2 TYR 82 -15.978 -12.911 2.259 658 HB3 TYR 82 HB1 TYR 82 -17.571 -13.539 1.884 659 HD1 TYR 82 HD1 TYR 82 -14.602 -11.846 0.492 660 HD2 TYR 82 HD2 TYR 82 -18.308 -13.729 -0.410 661 HE1 TYR 82 HE1 TYR 82 -13.948 -11.979 -1.866 662 HE2 TYR 82 HE2 TYR 82 -17.649 -13.851 -2.787 663 HH TYR 82 HH TYR 82 -14.455 -13.252 -3.794 Start of MODEL 5 1 H1 GLY 2 HT1 GLY 2 -13.811 6.438 -2.788 2 H2 GLY 2 HT2 GLY 2 -12.788 7.344 -3.772 3 H3 GLY 2 HT3 GLY 2 -12.714 7.501 -2.082 4 HA2 GLY 2 HA1 GLY 2 -11.965 5.317 -1.828 5 HA3 GLY 2 HA2 GLY 2 -12.016 5.055 -3.577 6 H ILE 3 HN ILE 3 -9.957 5.033 -4.338 7 HA ILE 3 HA ILE 3 -8.007 6.126 -2.563 8 HB ILE 3 HB ILE 3 -7.650 3.858 -3.379 9 HG12 ILE 3 HG12 ILE 3 -5.488 5.716 -4.397 10 HG13 ILE 3 HG11 ILE 3 -5.715 5.277 -2.708 11 HG21 ILE 3 HG21 ILE 3 -7.245 5.099 -6.096 12 HG22 ILE 3 HG22 ILE 3 -8.589 4.063 -5.618 13 HG23 ILE 3 HG23 ILE 3 -6.951 3.410 -5.682 14 HD11 ILE 3 HD11 ILE 3 -5.074 3.371 -4.941 15 HD12 ILE 3 HD12 ILE 3 -5.278 2.975 -3.227 16 HD13 ILE 3 HD13 ILE 3 -3.938 4.002 -3.740 17 H LYS 4 HN LYS 4 -9.189 7.033 -5.717 18 HA LYS 4 HA LYS 4 -6.898 8.521 -6.457 19 HB2 LYS 4 HB2 LYS 4 -9.680 8.555 -7.542 20 HB3 LYS 4 HB1 LYS 4 -8.555 9.812 -8.015 21 HG2 LYS 4 HG2 LYS 4 -8.406 8.226 -9.690 22 HG3 LYS 4 HG1 LYS 4 -6.983 7.933 -8.705 23 HD2 LYS 4 HD2 LYS 4 -7.828 5.792 -9.160 24 HD3 LYS 4 HD1 LYS 4 -8.431 6.154 -7.544 25 HE2 LYS 4 HE2 LYS 4 -10.584 6.769 -8.410 26 HE3 LYS 4 HE1 LYS 4 -10.007 6.616 -10.071 27 HZ1 LYS 4 HZ1 LYS 4 -10.308 4.483 -8.067 28 HZ2 LYS 4 HZ2 LYS 4 -9.578 4.247 -9.562 29 HZ3 LYS 4 HZ3 LYS 4 -11.246 4.674 -9.470 30 H GLN 5 HN GLN 5 -9.184 9.289 -4.182 31 HA GLN 5 HA GLN 5 -8.769 12.155 -4.479 32 HB2 GLN 5 HB2 GLN 5 -10.309 12.409 -2.595 33 HB3 GLN 5 HB1 GLN 5 -10.987 11.480 -3.923 34 HG2 GLN 5 HG2 GLN 5 -10.468 9.424 -2.695 35 HG3 GLN 5 HG1 GLN 5 -9.925 10.374 -1.321 36 HE21 GLN 5 HE21 GLN 5 -12.505 9.462 -3.278 37 HE22 GLN 5 HE22 GLN 5 -13.810 9.903 -2.212 38 H TYR 6 HN TYR 6 -7.086 9.695 -2.953 39 HA TYR 6 HA TYR 6 -6.306 11.359 -0.715 40 HB2 TYR 6 HB2 TYR 6 -5.134 8.722 -1.610 41 HB3 TYR 6 HB1 TYR 6 -4.749 9.564 -0.128 42 HD1 TYR 6 HD1 TYR 6 -6.863 10.138 1.386 43 HD2 TYR 6 HD2 TYR 6 -6.699 7.064 -1.513 44 HE1 TYR 6 HE1 TYR 6 -8.684 8.978 2.538 45 HE2 TYR 6 HE2 TYR 6 -8.506 5.880 -0.389 46 HH TYR 6 HH TYR 6 -9.565 5.778 1.800 47 H SER 7 HN SER 7 -4.580 12.605 -0.582 48 HA SER 7 HA SER 7 -3.107 13.136 -2.978 49 HB2 SER 7 HB2 SER 7 -2.861 14.227 -0.185 50 HB3 SER 7 HB1 SER 7 -1.980 14.859 -1.582 51 HG SER 7 HG SER 7 -4.801 14.745 -1.252 52 H GLN 8 HN GLN 8 -0.630 13.555 -2.522 53 HA GLN 8 HA GLN 8 0.428 10.960 -2.655 54 HB2 GLN 8 HB2 GLN 8 1.184 12.969 -3.911 55 HB3 GLN 8 HB1 GLN 8 1.864 13.588 -2.414 56 HG2 GLN 8 HG2 GLN 8 3.272 11.605 -2.285 57 HG3 GLN 8 HG1 GLN 8 2.611 11.086 -3.827 58 HE21 GLN 8 HE21 GLN 8 3.080 12.277 -5.732 59 HE22 GLN 8 HE22 GLN 8 4.515 13.204 -5.815 60 H GLU 9 HN GLU 9 0.935 13.589 -0.339 61 HA GLU 9 HA GLU 9 2.658 12.251 1.423 62 HB2 GLU 9 HB2 GLU 9 0.761 14.338 2.435 63 HB3 GLU 9 HB1 GLU 9 2.437 14.074 2.862 64 HG2 GLU 9 HG2 GLU 9 2.524 16.046 1.672 65 HG3 GLU 9 HG1 GLU 9 2.921 14.846 0.440 66 H GLU 10 HN GLU 10 -0.799 12.558 1.284 67 HA GLU 10 HA GLU 10 -1.719 11.508 3.673 68 HB2 GLU 10 HB2 GLU 10 -3.165 12.434 1.946 69 HB3 GLU 10 HB1 GLU 10 -2.708 11.122 0.863 70 HG2 GLU 10 HG2 GLU 10 -4.928 10.751 1.710 71 HG3 GLU 10 HG1 GLU 10 -3.839 9.527 2.358 72 H LEU 11 HN LEU 11 -1.041 9.799 0.674 73 HA LEU 11 HA LEU 11 -1.420 7.201 1.700 74 HB2 LEU 11 HB2 LEU 11 0.007 8.159 -0.766 75 HB3 LEU 11 HB1 LEU 11 -0.444 6.497 -0.443 76 HG LEU 11 HG LEU 11 -2.427 8.756 -0.704 77 HD11 LEU 11 HD11 LEU 11 -2.919 7.829 -2.903 78 HD12 LEU 11 HD12 LEU 11 -1.595 6.675 -2.712 79 HD13 LEU 11 HD13 LEU 11 -1.256 8.404 -2.791 80 HD21 LEU 11 HD21 LEU 11 -2.761 5.759 -0.629 81 HD22 LEU 11 HD22 LEU 11 -4.048 6.920 -0.934 82 HD23 LEU 11 HD23 LEU 11 -3.245 6.892 0.635 83 H LYS 12 HN LYS 12 1.306 9.331 1.581 84 HA LYS 12 HA LYS 12 3.307 7.358 1.922 85 HB2 LYS 12 HB2 LYS 12 3.279 10.319 2.232 86 HB3 LYS 12 HB1 LYS 12 4.704 9.417 2.679 87 HG2 LYS 12 HG2 LYS 12 4.782 8.501 0.381 88 HG3 LYS 12 HG1 LYS 12 3.405 9.531 -0.026 89 HD2 LYS 12 HD2 LYS 12 4.684 11.504 0.527 90 HD3 LYS 12 HD1 LYS 12 6.053 10.507 1.024 91 HE2 LYS 12 HE2 LYS 12 6.270 9.661 -1.227 92 HE3 LYS 12 HE1 LYS 12 4.869 10.588 -1.740 93 HZ1 LYS 12 HZ1 LYS 12 6.824 11.714 -2.369 94 HZ2 LYS 12 HZ2 LYS 12 7.462 11.610 -0.812 95 HZ3 LYS 12 HZ3 LYS 12 6.120 12.614 -1.086 96 H GLU 13 HN GLU 13 1.082 8.654 4.149 97 HA GLU 13 HA GLU 13 2.828 7.798 6.343 98 HB2 GLU 13 HB2 GLU 13 1.570 9.410 7.790 99 HB3 GLU 13 HB1 GLU 13 2.521 10.183 6.536 100 HG2 GLU 13 HG2 GLU 13 0.459 10.455 5.194 101 HG3 GLU 13 HG1 GLU 13 -0.451 9.755 6.532 102 H MET 14 HN MET 14 1.231 6.357 4.671 103 HA MET 14 HA MET 14 -0.740 5.169 6.452 104 HB2 MET 14 HB2 MET 14 -1.762 6.801 4.826 105 HB3 MET 14 HB1 MET 14 -1.053 5.877 3.530 106 HG2 MET 14 HG2 MET 14 -2.376 4.062 3.975 107 HG3 MET 14 HG1 MET 14 -3.039 4.780 5.466 108 HE1 MET 14 HE1 MET 14 -6.201 4.921 3.113 109 HE2 MET 14 HE2 MET 14 -5.580 4.449 4.697 110 HE3 MET 14 HE3 MET 14 -5.016 3.622 3.248 111 H ALA 15 HN ALA 15 -0.650 2.854 6.183 112 HA ALA 15 HA ALA 15 1.759 1.877 4.986 113 HB1 ALA 15 HB1 ALA 15 0.987 -0.331 5.724 114 HB2 ALA 15 HB2 ALA 15 -0.591 0.345 6.116 115 HB3 ALA 15 HB3 ALA 15 0.833 0.851 7.022 116 H LEU 16 HN LEU 16 1.914 0.395 3.224 117 HA LEU 16 HA LEU 16 0.164 1.233 1.166 118 HB2 LEU 16 HB2 LEU 16 1.441 0.051 -0.446 119 HB3 LEU 16 HB1 LEU 16 2.560 0.751 0.695 120 HG LEU 16 HG LEU 16 1.773 -2.163 0.552 121 HD11 LEU 16 HD11 LEU 16 3.086 -1.441 -1.361 122 HD12 LEU 16 HD12 LEU 16 4.022 -2.503 -0.316 123 HD13 LEU 16 HD13 LEU 16 4.306 -0.767 -0.281 124 HD21 LEU 16 HD21 LEU 16 3.883 -0.784 2.215 125 HD22 LEU 16 HD22 LEU 16 3.639 -2.528 2.095 126 HD23 LEU 16 HD23 LEU 16 2.390 -1.509 2.815 127 H VAL 17 HN VAL 17 -0.003 -1.430 3.298 128 HA VAL 17 HA VAL 17 -1.807 -2.941 1.697 129 HB VAL 17 HB VAL 17 -0.596 -3.864 3.717 130 HG11 VAL 17 HG11 VAL 17 -1.562 -3.535 5.941 131 HG12 VAL 17 HG12 VAL 17 -2.632 -2.298 5.281 132 HG13 VAL 17 HG13 VAL 17 -0.887 -2.049 5.274 133 HG21 VAL 17 HG21 VAL 17 -3.590 -4.168 3.706 134 HG22 VAL 17 HG22 VAL 17 -2.455 -5.269 4.486 135 HG23 VAL 17 HG23 VAL 17 -2.438 -5.080 2.734 136 H GLU 18 HN GLU 18 -2.139 -0.199 3.800 137 HA GLU 18 HA GLU 18 -4.989 -0.241 3.900 138 HB2 GLU 18 HB2 GLU 18 -3.050 2.033 4.323 139 HB3 GLU 18 HB1 GLU 18 -4.751 2.050 4.753 140 HG2 GLU 18 HG2 GLU 18 -4.360 0.298 6.392 141 HG3 GLU 18 HG1 GLU 18 -2.655 0.252 5.943 142 H ILE 19 HN ILE 19 -2.504 1.334 2.001 143 HA ILE 19 HA ILE 19 -4.137 2.889 0.323 144 HB ILE 19 HB ILE 19 -1.495 1.558 -0.383 145 HG12 ILE 19 HG12 ILE 19 -2.022 4.313 0.767 146 HG13 ILE 19 HG11 ILE 19 -1.359 2.949 1.657 147 HG21 ILE 19 HG21 ILE 19 -2.909 3.919 -1.622 148 HG22 ILE 19 HG22 ILE 19 -2.615 2.350 -2.375 149 HG23 ILE 19 HG23 ILE 19 -1.262 3.422 -2.000 150 HD11 ILE 19 HD11 ILE 19 0.381 4.506 1.008 151 HD12 ILE 19 HD12 ILE 19 -0.076 4.328 -0.687 152 HD13 ILE 19 HD13 ILE 19 0.606 2.961 0.183 153 H ALA 20 HN ALA 20 -2.936 -0.430 -0.016 154 HA ALA 20 HA ALA 20 -4.184 -1.039 -2.451 155 HB1 ALA 20 HB1 ALA 20 -2.383 -2.402 -1.390 156 HB2 ALA 20 HB2 ALA 20 -3.770 -3.353 -1.904 157 HB3 ALA 20 HB3 ALA 20 -3.560 -2.953 -0.199 158 H HIS 21 HN HIS 21 -5.257 -1.332 0.876 159 HA HIS 21 HA HIS 21 -7.708 -2.582 0.579 160 HB2 HIS 21 HB2 HIS 21 -6.813 -2.164 2.758 161 HB3 HIS 21 HB1 HIS 21 -6.774 -0.425 2.456 162 HD1 HIS 21 HD1 HIS 21 -8.878 0.900 3.040 163 HD2 HIS 21 HD2 HIS 21 -9.382 -3.216 3.356 164 HE1 HIS 21 HE1 HIS 21 -11.022 0.585 4.234 165 HE2 HIS 21 HE2 HIS 21 -11.153 -1.889 4.666 166 H GLU 22 HN GLU 22 -6.930 0.859 0.245 167 HA GLU 22 HA GLU 22 -9.552 1.782 -0.240 168 HB2 GLU 22 HB2 GLU 22 -6.983 2.957 -1.287 169 HB3 GLU 22 HB1 GLU 22 -8.508 3.803 -1.053 170 HG2 GLU 22 HG2 GLU 22 -6.647 2.735 1.051 171 HG3 GLU 22 HG1 GLU 22 -7.060 4.416 0.728 172 H LEU 23 HN LEU 23 -6.936 0.811 -2.334 173 HA LEU 23 HA LEU 23 -8.005 1.299 -4.852 174 HB2 LEU 23 HB2 LEU 23 -5.657 0.698 -4.336 175 HB3 LEU 23 HB1 LEU 23 -6.161 -0.910 -3.901 176 HG LEU 23 HG LEU 23 -6.542 -1.477 -6.273 177 HD11 LEU 23 HD11 LEU 23 -5.805 1.408 -6.807 178 HD12 LEU 23 HD12 LEU 23 -7.428 0.733 -6.977 179 HD13 LEU 23 HD13 LEU 23 -6.119 0.164 -8.015 180 HD21 LEU 23 HD21 LEU 23 -4.003 0.058 -5.847 181 HD22 LEU 23 HD22 LEU 23 -4.287 -1.178 -7.076 182 HD23 LEU 23 HD23 LEU 23 -4.296 -1.612 -5.362 183 H PHE 24 HN PHE 24 -8.148 -1.601 -2.865 184 HA PHE 24 HA PHE 24 -9.817 -2.942 -4.707 185 HB2 PHE 24 HB2 PHE 24 -8.853 -3.664 -1.977 186 HB3 PHE 24 HB1 PHE 24 -10.003 -4.676 -2.849 187 HD1 PHE 24 HD1 PHE 24 -9.375 -5.813 -4.834 188 HD2 PHE 24 HD2 PHE 24 -6.587 -3.433 -2.754 189 HE1 PHE 24 HE1 PHE 24 -7.569 -6.844 -6.110 190 HE2 PHE 24 HE2 PHE 24 -4.753 -4.450 -4.021 191 HZ PHE 24 HZ PHE 24 -5.247 -6.168 -5.712 192 H GLU 25 HN GLU 25 -10.600 -1.317 -1.631 193 HA GLU 25 HA GLU 25 -13.315 -2.102 -1.777 194 HB2 GLU 25 HB2 GLU 25 -12.041 0.154 -0.277 195 HB3 GLU 25 HB1 GLU 25 -13.788 0.017 -0.366 196 HG2 GLU 25 HG2 GLU 25 -13.165 -2.476 0.399 197 HG3 GLU 25 HG1 GLU 25 -11.831 -1.583 1.127 198 H GLU 26 HN GLU 26 -11.664 0.572 -3.239 199 HA GLU 26 HA GLU 26 -14.033 1.894 -4.021 200 HB2 GLU 26 HB2 GLU 26 -11.848 2.996 -3.911 201 HB3 GLU 26 HB1 GLU 26 -11.274 1.992 -5.224 202 HG2 GLU 26 HG2 GLU 26 -12.864 3.015 -6.742 203 HG3 GLU 26 HG1 GLU 26 -13.502 3.996 -5.423 204 H HIS 27 HN HIS 27 -12.103 -0.639 -5.498 205 HA HIS 27 HA HIS 27 -13.706 -0.427 -7.934 206 HB2 HIS 27 HB2 HIS 27 -11.242 -2.066 -7.390 207 HB3 HIS 27 HB1 HIS 27 -12.126 -2.084 -8.910 208 HD1 HIS 27 HD1 HIS 27 -9.922 0.077 -6.808 209 HD2 HIS 27 HD2 HIS 27 -11.653 0.110 -10.560 210 HE1 HIS 27 HE1 HIS 27 -8.889 2.003 -8.002 211 HE2 HIS 27 HE2 HIS 27 -9.599 1.686 -10.331 212 H LYS 28 HN LYS 28 -13.199 -2.783 -5.353 213 HA LYS 28 HA LYS 28 -13.849 -4.896 -5.033 214 HB2 LYS 28 HB2 LYS 28 -16.366 -3.974 -6.425 215 HB3 LYS 28 HB1 LYS 28 -16.195 -5.593 -5.803 216 HG2 LYS 28 HG2 LYS 28 -17.472 -4.456 -4.212 217 HG3 LYS 28 HG1 LYS 28 -15.853 -4.507 -3.524 218 HD2 LYS 28 HD2 LYS 28 -15.467 -2.227 -4.151 219 HD3 LYS 28 HD1 LYS 28 -16.992 -2.177 -5.040 220 HE2 LYS 28 HE2 LYS 28 -18.215 -2.563 -2.947 221 HE3 LYS 28 HE1 LYS 28 -16.690 -2.586 -2.064 222 HZ1 LYS 28 HZ1 LYS 28 -16.304 -0.321 -2.772 223 HZ2 LYS 28 HZ2 LYS 28 -17.738 -0.418 -1.905 224 HZ3 LYS 28 HZ3 LYS 28 -17.782 -0.267 -3.577 225 H LYS 29 HN LYS 29 -12.112 -5.316 -6.506 226 HA LYS 29 HA LYS 29 -13.017 -7.168 -8.486 227 HB2 LYS 29 HB2 LYS 29 -12.856 -5.063 -9.762 228 HB3 LYS 29 HB1 LYS 29 -11.232 -4.806 -9.160 229 HG2 LYS 29 HG2 LYS 29 -11.202 -5.582 -11.448 230 HG3 LYS 29 HG1 LYS 29 -10.464 -6.783 -10.385 231 HD2 LYS 29 HD2 LYS 29 -12.625 -8.025 -10.402 232 HD3 LYS 29 HD1 LYS 29 -13.253 -6.842 -11.538 233 HE2 LYS 29 HE2 LYS 29 -10.813 -8.541 -12.040 234 HE3 LYS 29 HE1 LYS 29 -12.435 -8.935 -12.599 235 HZ1 LYS 29 HZ1 LYS 29 -11.157 -7.867 -14.332 236 HZ2 LYS 29 HZ2 LYS 29 -10.872 -6.523 -13.379 237 HZ3 LYS 29 HZ3 LYS 29 -12.449 -6.900 -13.878 238 HA PRO 30 HA PRO 30 -9.335 -8.852 -6.492 239 HB2 PRO 30 HB2 PRO 30 -9.626 -11.184 -8.326 240 HB3 PRO 30 HB1 PRO 30 -9.720 -11.080 -6.594 241 HG2 PRO 30 HG2 PRO 30 -11.895 -11.506 -8.127 242 HG3 PRO 30 HG1 PRO 30 -11.949 -10.708 -6.546 243 HD2 PRO 30 HD2 PRO 30 -11.998 -9.523 -9.281 244 HD3 PRO 30 HD1 PRO 30 -12.935 -9.071 -7.834 245 H VAL 31 HN VAL 31 -7.361 -8.270 -7.055 246 HA VAL 31 HA VAL 31 -6.708 -7.998 -9.899 247 HB VAL 31 HB VAL 31 -6.081 -6.008 -7.675 248 HG11 VAL 31 HG11 VAL 31 -5.063 -4.594 -9.386 249 HG12 VAL 31 HG12 VAL 31 -5.308 -5.864 -10.585 250 HG13 VAL 31 HG13 VAL 31 -4.214 -6.132 -9.224 251 HG21 VAL 31 HG21 VAL 31 -7.444 -4.432 -8.966 252 HG22 VAL 31 HG22 VAL 31 -8.378 -5.837 -8.453 253 HG23 VAL 31 HG23 VAL 31 -7.820 -5.710 -10.121 254 HA PRO 32 HA PRO 32 -3.171 -10.508 -8.812 255 HB2 PRO 32 HB2 PRO 32 -1.872 -8.927 -10.984 256 HB3 PRO 32 HB1 PRO 32 -1.955 -10.679 -10.771 257 HG2 PRO 32 HG2 PRO 32 -3.471 -9.514 -12.587 258 HG3 PRO 32 HG1 PRO 32 -4.127 -10.812 -11.572 259 HD2 PRO 32 HD2 PRO 32 -4.539 -7.860 -11.364 260 HD3 PRO 32 HD1 PRO 32 -5.692 -9.197 -11.144 261 H PHE 33 HN PHE 33 -1.315 -10.308 -7.664 262 HA PHE 33 HA PHE 33 -0.975 -8.243 -5.900 263 HB2 PHE 33 HB2 PHE 33 -0.137 -10.526 -5.590 264 HB3 PHE 33 HB1 PHE 33 1.099 -10.234 -6.816 265 HD1 PHE 33 HD2 PHE 33 -0.031 -9.482 -3.413 266 HD2 PHE 33 HD1 PHE 33 3.086 -9.035 -6.253 267 HE1 PHE 33 HE2 PHE 33 1.484 -8.748 -1.630 268 HE2 PHE 33 HE1 PHE 33 4.604 -8.312 -4.478 269 HZ PHE 33 HZ PHE 33 3.805 -8.163 -2.160 270 H GLN 34 HN GLN 34 0.824 -8.778 -8.888 271 HA GLN 34 HA GLN 34 2.733 -6.717 -8.387 272 HB2 GLN 34 HB2 GLN 34 2.666 -8.853 -10.024 273 HB3 GLN 34 HB1 GLN 34 2.156 -7.623 -11.162 274 HG2 GLN 34 HG2 GLN 34 4.750 -7.708 -9.623 275 HG3 GLN 34 HG1 GLN 34 4.534 -8.063 -11.330 276 HE21 GLN 34 HE21 GLN 34 4.946 -5.644 -8.953 277 HE22 GLN 34 HE22 GLN 34 4.985 -4.288 -10.019 278 H GLU 35 HN GLU 35 -0.494 -6.794 -9.772 279 HA GLU 35 HA GLU 35 -0.122 -4.490 -11.449 280 HB2 GLU 35 HB2 GLU 35 -2.596 -6.013 -10.663 281 HB3 GLU 35 HB1 GLU 35 -2.480 -4.741 -11.880 282 HG2 GLU 35 HG2 GLU 35 -0.935 -7.306 -12.018 283 HG3 GLU 35 HG1 GLU 35 -2.511 -7.069 -12.779 284 H LEU 36 HN LEU 36 -1.688 -5.377 -8.442 285 HA LEU 36 HA LEU 36 -2.946 -2.920 -8.011 286 HB2 LEU 36 HB2 LEU 36 -3.336 -3.671 -5.732 287 HB3 LEU 36 HB1 LEU 36 -3.601 -4.986 -6.844 288 HG LEU 36 HG LEU 36 -1.112 -5.606 -6.143 289 HD11 LEU 36 HD11 LEU 36 -0.749 -3.677 -4.736 290 HD12 LEU 36 HD12 LEU 36 -0.685 -5.171 -3.798 291 HD13 LEU 36 HD13 LEU 36 -2.113 -4.141 -3.718 292 HD21 LEU 36 HD21 LEU 36 -3.027 -7.075 -5.875 293 HD22 LEU 36 HD22 LEU 36 -3.527 -6.185 -4.435 294 HD23 LEU 36 HD23 LEU 36 -2.021 -7.096 -4.424 295 H LEU 37 HN LEU 37 0.251 -4.074 -7.263 296 HA LEU 37 HA LEU 37 1.031 -1.902 -5.626 297 HB2 LEU 37 HB2 LEU 37 2.541 -3.991 -7.123 298 HB3 LEU 37 HB1 LEU 37 3.329 -2.769 -6.139 299 HG LEU 37 HG LEU 37 1.243 -4.626 -5.022 300 HD11 LEU 37 HD11 LEU 37 4.220 -4.890 -5.115 301 HD12 LEU 37 HD12 LEU 37 3.058 -5.941 -5.924 302 HD13 LEU 37 HD13 LEU 37 3.144 -5.907 -4.158 303 HD21 LEU 37 HD21 LEU 37 1.679 -2.583 -3.757 304 HD22 LEU 37 HD22 LEU 37 3.405 -2.916 -3.806 305 HD23 LEU 37 HD23 LEU 37 2.327 -3.991 -2.910 306 H ASN 38 HN ASN 38 1.225 -2.548 -9.055 307 HA ASN 38 HA ASN 38 2.952 -0.396 -9.629 308 HB2 ASN 38 HB2 ASN 38 0.959 -1.823 -11.389 309 HB3 ASN 38 HB1 ASN 38 2.052 -0.611 -12.016 310 HD21 ASN 38 HD21 ASN 38 1.941 -3.221 -12.887 311 HD22 ASN 38 HD22 ASN 38 3.384 -4.058 -12.467 312 H GLU 39 HN GLU 39 -0.551 -0.691 -9.607 313 HA GLU 39 HA GLU 39 -1.006 1.996 -10.340 314 HB2 GLU 39 HB2 GLU 39 -2.822 0.086 -8.860 315 HB3 GLU 39 HB1 GLU 39 -3.322 1.612 -9.577 316 HG2 GLU 39 HG2 GLU 39 -2.228 -0.770 -11.067 317 HG3 GLU 39 HG1 GLU 39 -3.915 -0.268 -11.005 318 H ILE 40 HN ILE 40 -0.632 0.369 -7.232 319 HA ILE 40 HA ILE 40 -1.178 2.528 -5.561 320 HB ILE 40 HB ILE 40 0.761 0.231 -5.196 321 HG12 ILE 40 HG12 ILE 40 -1.887 0.868 -3.883 322 HG13 ILE 40 HG11 ILE 40 -1.632 -0.302 -5.173 323 HG21 ILE 40 HG21 ILE 40 0.983 0.852 -2.820 324 HG22 ILE 40 HG22 ILE 40 0.102 2.345 -3.140 325 HG23 ILE 40 HG23 ILE 40 1.670 2.072 -3.893 326 HD11 ILE 40 HD11 ILE 40 -1.841 -1.384 -3.034 327 HD12 ILE 40 HD12 ILE 40 -0.486 -0.446 -2.394 328 HD13 ILE 40 HD13 ILE 40 -0.221 -1.623 -3.685 329 H ALA 41 HN ALA 41 1.894 1.617 -7.062 330 HA ALA 41 HA ALA 41 3.401 3.742 -6.030 331 HB1 ALA 41 HB1 ALA 41 5.039 3.244 -7.752 332 HB2 ALA 41 HB2 ALA 41 3.853 2.236 -8.604 333 HB3 ALA 41 HB3 ALA 41 4.424 1.784 -6.990 334 H SER 42 HN SER 42 1.278 3.637 -8.776 335 HA SER 42 HA SER 42 2.115 6.145 -9.751 336 HB2 SER 42 HB2 SER 42 -0.428 4.596 -10.247 337 HB3 SER 42 HB1 SER 42 0.086 6.014 -11.168 338 HG SER 42 HG SER 42 2.026 4.849 -11.610 339 H LEU 43 HN LEU 43 -0.663 5.177 -7.711 340 HA LEU 43 HA LEU 43 -1.592 7.864 -7.344 341 HB2 LEU 43 HB2 LEU 43 -2.208 5.287 -5.917 342 HB3 LEU 43 HB1 LEU 43 -2.775 6.801 -5.264 343 HG LEU 43 HG LEU 43 -4.552 5.726 -6.462 344 HD11 LEU 43 HD11 LEU 43 -5.176 7.445 -8.052 345 HD12 LEU 43 HD12 LEU 43 -3.540 8.093 -8.002 346 HD13 LEU 43 HD13 LEU 43 -4.545 8.115 -6.550 347 HD21 LEU 43 HD21 LEU 43 -4.472 5.293 -8.876 348 HD22 LEU 43 HD22 LEU 43 -3.279 4.332 -8.003 349 HD23 LEU 43 HD23 LEU 43 -2.772 5.761 -8.899 350 H LEU 44 HN LEU 44 0.232 5.686 -5.308 351 HA LEU 44 HA LEU 44 0.900 7.679 -3.348 352 HB2 LEU 44 HB2 LEU 44 0.680 5.445 -2.560 353 HB3 LEU 44 HB1 LEU 44 1.622 4.802 -3.885 354 HG LEU 44 HG LEU 44 3.613 5.944 -2.883 355 HD11 LEU 44 HD11 LEU 44 2.523 7.557 -1.485 356 HD12 LEU 44 HD12 LEU 44 3.560 6.503 -0.525 357 HD13 LEU 44 HD13 LEU 44 1.813 6.268 -0.508 358 HD21 LEU 44 HD21 LEU 44 3.960 4.189 -1.194 359 HD22 LEU 44 HD22 LEU 44 3.304 3.581 -2.711 360 HD23 LEU 44 HD23 LEU 44 2.245 3.771 -1.312 361 H GLY 45 HN GLY 45 2.112 9.222 -4.245 362 HA2 GLY 45 HA2 GLY 45 3.924 8.912 -6.382 363 HA3 GLY 45 HA1 GLY 45 3.924 10.267 -5.261 364 H VAL 46 HN VAL 46 5.301 7.233 -6.075 365 HA VAL 46 HA VAL 46 7.616 7.807 -4.416 366 HB VAL 46 HB VAL 46 7.825 5.351 -3.857 367 HG11 VAL 46 HG11 VAL 46 6.232 5.353 -1.975 368 HG12 VAL 46 HG12 VAL 46 5.466 6.792 -2.661 369 HG13 VAL 46 HG13 VAL 46 7.137 6.857 -2.121 370 HG21 VAL 46 HG21 VAL 46 4.946 5.257 -4.772 371 HG22 VAL 46 HG22 VAL 46 5.768 3.968 -3.896 372 HG23 VAL 46 HG23 VAL 46 6.312 4.427 -5.513 373 H LYS 47 HN LYS 47 9.257 5.923 -5.055 374 HA LYS 47 HA LYS 47 9.287 5.778 -7.978 375 HB2 LYS 47 HB2 LYS 47 11.191 6.620 -6.217 376 HB3 LYS 47 HB1 LYS 47 11.570 4.913 -6.280 377 HG2 LYS 47 HG2 LYS 47 11.513 6.790 -8.634 378 HG3 LYS 47 HG1 LYS 47 12.955 6.256 -7.788 379 HD2 LYS 47 HD2 LYS 47 12.477 3.949 -8.476 380 HD3 LYS 47 HD1 LYS 47 11.033 4.506 -9.324 381 HE2 LYS 47 HE2 LYS 47 12.459 5.990 -10.685 382 HE3 LYS 47 HE1 LYS 47 13.873 5.310 -9.881 383 HZ1 LYS 47 HZ1 LYS 47 13.530 4.249 -11.980 384 HZ2 LYS 47 HZ2 LYS 47 11.956 3.832 -11.595 385 HZ3 LYS 47 HZ3 LYS 47 13.258 3.136 -10.753 386 H LYS 48 HN LYS 48 9.378 3.650 -8.883 387 HA LYS 48 HA LYS 48 7.931 1.731 -7.493 388 HB2 LYS 48 HB2 LYS 48 8.011 1.814 -9.952 389 HB3 LYS 48 HB1 LYS 48 9.668 1.224 -9.908 390 HG2 LYS 48 HG2 LYS 48 8.495 -0.727 -10.305 391 HG3 LYS 48 HG1 LYS 48 8.685 -0.732 -8.552 392 HD2 LYS 48 HD2 LYS 48 6.412 -1.336 -8.865 393 HD3 LYS 48 HD1 LYS 48 6.345 0.374 -8.501 394 HE2 LYS 48 HE2 LYS 48 4.901 -0.232 -10.435 395 HE3 LYS 48 HE1 LYS 48 6.168 0.922 -10.892 396 HZ1 LYS 48 HZ1 LYS 48 6.163 -2.019 -11.345 397 HZ2 LYS 48 HZ2 LYS 48 7.414 -0.998 -11.794 398 HZ3 LYS 48 HZ3 LYS 48 5.916 -0.841 -12.515 399 H GLU 49 HN GLU 49 11.461 1.688 -8.142 400 HA GLU 49 HA GLU 49 11.876 -0.829 -7.047 401 HB2 GLU 49 HB2 GLU 49 13.885 1.415 -7.217 402 HB3 GLU 49 HB1 GLU 49 14.279 -0.227 -6.748 403 HG2 GLU 49 HG2 GLU 49 14.870 -0.109 -8.989 404 HG3 GLU 49 HG1 GLU 49 13.302 -0.904 -9.009 405 H GLU 50 HN GLU 50 12.039 2.264 -5.303 406 HA GLU 50 HA GLU 50 12.870 1.069 -2.882 407 HB2 GLU 50 HB2 GLU 50 12.210 3.150 -1.776 408 HB3 GLU 50 HB1 GLU 50 13.069 3.502 -3.262 409 HG2 GLU 50 HG2 GLU 50 10.837 3.853 -4.353 410 HG3 GLU 50 HG1 GLU 50 10.117 3.687 -2.761 411 H LEU 51 HN LEU 51 9.708 1.663 -4.282 412 HA LEU 51 HA LEU 51 8.287 0.754 -1.996 413 HB2 LEU 51 HB2 LEU 51 7.283 2.213 -3.767 414 HB3 LEU 51 HB1 LEU 51 7.348 0.849 -4.863 415 HG LEU 51 HG LEU 51 5.851 -0.394 -3.278 416 HD11 LEU 51 HD11 LEU 51 6.244 0.854 -1.264 417 HD12 LEU 51 HD12 LEU 51 4.532 0.917 -1.687 418 HD13 LEU 51 HD13 LEU 51 5.569 2.307 -1.998 419 HD21 LEU 51 HD21 LEU 51 4.970 0.596 -5.304 420 HD22 LEU 51 HD22 LEU 51 4.760 2.144 -4.487 421 HD23 LEU 51 HD23 LEU 51 3.803 0.748 -3.995 422 H GLY 52 HN GLY 52 9.893 -0.711 -4.638 423 HA2 GLY 52 HA2 GLY 52 8.696 -3.270 -4.622 424 HA3 GLY 52 HA1 GLY 52 10.306 -2.899 -5.236 425 H ASP 53 HN ASP 53 11.361 -1.892 -2.907 426 HA ASP 53 HA ASP 53 12.119 -4.212 -1.484 427 HB2 ASP 53 HB2 ASP 53 13.575 -2.284 -1.577 428 HB3 ASP 53 HB1 ASP 53 12.342 -1.280 -0.818 429 H ARG 54 HN ARG 54 9.882 -1.608 -0.893 430 HA ARG 54 HA ARG 54 8.959 -2.706 1.528 431 HB2 ARG 54 HB2 ARG 54 8.729 -0.245 0.863 432 HB3 ARG 54 HB1 ARG 54 7.369 -0.754 -0.135 433 HG2 ARG 54 HG2 ARG 54 6.231 -1.651 1.815 434 HG3 ARG 54 HG1 ARG 54 7.594 -1.208 2.830 435 HD2 ARG 54 HD2 ARG 54 7.188 1.168 2.237 436 HD3 ARG 54 HD1 ARG 54 5.767 0.650 1.340 437 HE ARG 54 HE ARG 54 5.438 -0.469 3.808 438 HH11 ARG 54 HH11 ARG 54 5.835 2.859 2.674 439 HH12 ARG 54 HH12 ARG 54 4.896 3.534 3.910 440 HH21 ARG 54 HH21 ARG 54 4.134 0.484 5.545 441 HH22 ARG 54 HH22 ARG 54 3.927 2.159 5.596 442 H ILE 55 HN ILE 55 8.411 -3.566 -1.704 443 HA ILE 55 HA ILE 55 5.863 -4.766 -1.408 444 HB ILE 55 HB ILE 55 8.086 -5.259 -3.420 445 HG12 ILE 55 HG12 ILE 55 5.354 -3.997 -3.713 446 HG13 ILE 55 HG11 ILE 55 6.875 -3.140 -3.652 447 HG21 ILE 55 HG21 ILE 55 5.388 -6.591 -3.402 448 HG22 ILE 55 HG22 ILE 55 6.950 -7.377 -3.168 449 HG23 ILE 55 HG23 ILE 55 6.549 -6.657 -4.729 450 HD11 ILE 55 HD11 ILE 55 7.549 -4.180 -5.794 451 HD12 ILE 55 HD12 ILE 55 6.031 -3.307 -5.950 452 HD13 ILE 55 HD13 ILE 55 6.035 -5.063 -5.827 453 H ALA 56 HN ALA 56 9.177 -5.905 -0.998 454 HA ALA 56 HA ALA 56 8.556 -8.558 -0.271 455 HB1 ALA 56 HB1 ALA 56 10.797 -6.813 0.776 456 HB2 ALA 56 HB2 ALA 56 10.862 -7.809 -0.677 457 HB3 ALA 56 HB3 ALA 56 10.727 -8.568 0.910 458 H GLN 57 HN GLN 57 9.059 -5.693 1.693 459 HA GLN 57 HA GLN 57 8.222 -6.592 4.190 460 HB2 GLN 57 HB2 GLN 57 9.374 -4.399 3.646 461 HB3 GLN 57 HB1 GLN 57 7.845 -3.809 3.038 462 HG2 GLN 57 HG2 GLN 57 8.163 -4.721 5.883 463 HG3 GLN 57 HG1 GLN 57 8.584 -3.093 5.381 464 HE21 GLN 57 HE21 GLN 57 6.583 -4.073 7.250 465 HE22 GLN 57 HE22 GLN 57 5.068 -3.457 6.732 466 H PHE 58 HN PHE 58 6.409 -5.638 1.418 467 HA PHE 58 HA PHE 58 3.897 -5.347 2.649 468 HB2 PHE 58 HB2 PHE 58 4.423 -4.278 0.509 469 HB3 PHE 58 HB1 PHE 58 4.542 -5.857 -0.245 470 HD1 PHE 58 HD1 PHE 58 2.011 -4.267 1.996 471 HD2 PHE 58 HD2 PHE 58 2.822 -6.183 -1.703 472 HE1 PHE 58 HE1 PHE 58 -0.356 -4.141 1.419 473 HE2 PHE 58 HE2 PHE 58 0.447 -6.063 -2.291 474 HZ PHE 58 HZ PHE 58 -1.155 -5.036 -0.734 475 H TYR 59 HN TYR 59 5.524 -8.134 1.150 476 HA TYR 59 HA TYR 59 3.248 -9.830 1.277 477 HB2 TYR 59 HB2 TYR 59 6.168 -10.550 1.643 478 HB3 TYR 59 HB1 TYR 59 4.877 -11.736 1.582 479 HD1 TYR 59 HD1 TYR 59 3.692 -12.151 -0.545 480 HD2 TYR 59 HD2 TYR 59 6.978 -9.521 -0.286 481 HE1 TYR 59 HE1 TYR 59 3.969 -12.284 -2.988 482 HE2 TYR 59 HE2 TYR 59 7.283 -9.621 -2.726 483 HH TYR 59 HH TYR 59 6.767 -11.076 -4.499 484 H THR 60 HN THR 60 5.732 -8.973 3.596 485 HA THR 60 HA THR 60 4.843 -10.507 5.758 486 HB THR 60 HB THR 60 6.071 -7.752 5.796 487 HG1 THR 60 HG1 THR 60 7.995 -8.734 5.526 488 HG21 THR 60 HG21 THR 60 7.053 -8.473 7.917 489 HG22 THR 60 HG22 THR 60 6.242 -10.036 7.777 490 HG23 THR 60 HG23 THR 60 5.293 -8.560 7.987 491 H ASP 61 HN ASP 61 4.113 -7.131 4.944 492 HA ASP 61 HA ASP 61 2.390 -6.565 7.119 493 HB2 ASP 61 HB2 ASP 61 3.704 -4.874 5.935 494 HB3 ASP 61 HB1 ASP 61 2.786 -5.161 4.473 495 H LEU 62 HN LEU 62 1.774 -7.667 3.884 496 HA LEU 62 HA LEU 62 -1.034 -7.195 3.777 497 HB2 LEU 62 HB2 LEU 62 0.548 -7.417 1.832 498 HB3 LEU 62 HB1 LEU 62 0.655 -9.094 2.215 499 HG LEU 62 HG LEU 62 -1.671 -9.453 1.657 500 HD11 LEU 62 HD11 LEU 62 -2.962 -7.644 0.633 501 HD12 LEU 62 HD12 LEU 62 -1.666 -6.508 1.013 502 HD13 LEU 62 HD13 LEU 62 -2.571 -7.293 2.310 503 HD21 LEU 62 HD21 LEU 62 -0.163 -7.908 -0.429 504 HD22 LEU 62 HD22 LEU 62 -1.491 -9.036 -0.722 505 HD23 LEU 62 HD23 LEU 62 0.037 -9.622 -0.061 506 H ASN 63 HN ASN 63 0.960 -10.087 4.298 507 HA ASN 63 HA ASN 63 -1.331 -11.743 4.299 508 HB2 ASN 63 HB2 ASN 63 1.529 -12.392 5.009 509 HB3 ASN 63 HB1 ASN 63 0.239 -13.588 4.943 510 HD21 ASN 63 HD21 ASN 63 1.074 -14.718 3.284 511 HD22 ASN 63 HD22 ASN 63 1.227 -14.156 1.654 512 H ILE 64 HN ILE 64 0.228 -10.007 6.778 513 HA ILE 64 HA ILE 64 -1.123 -11.564 8.853 514 HB ILE 64 HB ILE 64 -0.109 -10.014 10.476 515 HG12 ILE 64 HG12 ILE 64 1.151 -8.687 8.056 516 HG13 ILE 64 HG11 ILE 64 -0.086 -7.979 9.085 517 HG21 ILE 64 HG21 ILE 64 2.228 -10.673 10.147 518 HG22 ILE 64 HG22 ILE 64 1.843 -11.146 8.492 519 HG23 ILE 64 HG23 ILE 64 1.105 -12.001 9.847 520 HD11 ILE 64 HD11 ILE 64 1.485 -8.007 10.963 521 HD12 ILE 64 HD12 ILE 64 2.095 -7.069 9.600 522 HD13 ILE 64 HD13 ILE 64 2.720 -8.691 9.908 523 H ASP 65 HN ASP 65 -1.983 -9.291 6.730 524 HA ASP 65 HA ASP 65 -3.532 -7.557 8.428 525 HB2 ASP 65 HB2 ASP 65 -2.465 -6.582 6.506 526 HB3 ASP 65 HB1 ASP 65 -3.158 -7.793 5.442 527 H GLY 66 HN GLY 66 -5.751 -7.600 8.630 528 HA2 GLY 66 HA2 GLY 66 -7.008 -10.106 7.753 529 HA3 GLY 66 HA1 GLY 66 -7.505 -9.119 9.145 530 H ARG 67 HN ARG 67 -6.786 -7.305 6.382 531 HA ARG 67 HA ARG 67 -9.641 -6.818 5.898 532 HB2 ARG 67 HB2 ARG 67 -7.192 -5.431 4.789 533 HB3 ARG 67 HB1 ARG 67 -8.852 -4.878 4.672 534 HG2 ARG 67 HG2 ARG 67 -8.921 -4.294 6.952 535 HG3 ARG 67 HG1 ARG 67 -7.435 -5.187 7.300 536 HD2 ARG 67 HD2 ARG 67 -6.171 -3.656 5.895 537 HD3 ARG 67 HD1 ARG 67 -7.644 -2.778 5.508 538 HE ARG 67 HE ARG 67 -7.779 -2.205 7.854 539 HH11 ARG 67 HH11 ARG 67 -4.622 -3.436 6.835 540 HH12 ARG 67 HH12 ARG 67 -3.708 -2.332 7.750 541 HH21 ARG 67 HH21 ARG 67 -6.529 -0.689 9.163 542 HH22 ARG 67 HH22 ARG 67 -4.844 -0.734 9.155 543 H PHE 68 HN PHE 68 -6.600 -7.716 4.480 544 HA PHE 68 HA PHE 68 -7.699 -8.301 1.907 545 HB2 PHE 68 HB2 PHE 68 -5.026 -8.116 3.065 546 HB3 PHE 68 HB1 PHE 68 -5.217 -9.287 1.760 547 HD1 PHE 68 HD1 PHE 68 -5.544 -5.732 2.666 548 HD2 PHE 68 HD2 PHE 68 -5.566 -8.641 -0.424 549 HE1 PHE 68 HE1 PHE 68 -5.460 -3.950 0.972 550 HE2 PHE 68 HE2 PHE 68 -5.481 -6.883 -2.106 551 HZ PHE 68 HZ PHE 68 -5.436 -4.568 -1.442 552 H LEU 69 HN LEU 69 -7.052 -10.260 0.804 553 HA LEU 69 HA LEU 69 -6.914 -12.719 2.273 554 HB2 LEU 69 HB2 LEU 69 -9.240 -12.418 2.424 555 HB3 LEU 69 HB1 LEU 69 -9.369 -11.804 0.792 556 HG LEU 69 HG LEU 69 -8.733 -14.115 0.003 557 HD11 LEU 69 HD11 LEU 69 -7.716 -14.959 2.015 558 HD12 LEU 69 HD12 LEU 69 -9.079 -15.970 1.536 559 HD13 LEU 69 HD13 LEU 69 -9.252 -14.832 2.872 560 HD21 LEU 69 HD21 LEU 69 -10.963 -15.009 0.353 561 HD22 LEU 69 HD22 LEU 69 -10.989 -13.297 -0.071 562 HD23 LEU 69 HD23 LEU 69 -11.245 -13.800 1.601 563 H ALA 70 HN ALA 70 -5.890 -14.189 0.993 564 HA ALA 70 HA ALA 70 -5.298 -13.513 -1.756 565 HB1 ALA 70 HB1 ALA 70 -3.495 -14.546 -0.443 566 HB2 ALA 70 HB2 ALA 70 -4.013 -15.647 -1.732 567 HB3 ALA 70 HB3 ALA 70 -4.540 -15.926 -0.084 568 H LEU 71 HN LEU 71 -6.865 -13.867 -3.110 569 HA LEU 71 HA LEU 71 -8.945 -15.712 -2.627 570 HB2 LEU 71 HB2 LEU 71 -8.212 -13.962 -4.967 571 HB3 LEU 71 HB1 LEU 71 -9.660 -14.963 -4.915 572 HG LEU 71 HG LEU 71 -9.107 -12.971 -2.741 573 HD11 LEU 71 HD11 LEU 71 -8.956 -11.771 -4.853 574 HD12 LEU 71 HD12 LEU 71 -10.457 -11.387 -4.000 575 HD13 LEU 71 HD13 LEU 71 -10.477 -12.501 -5.371 576 HD21 LEU 71 HD21 LEU 71 -10.864 -14.673 -2.483 577 HD22 LEU 71 HD22 LEU 71 -11.575 -14.048 -3.993 578 HD23 LEU 71 HD23 LEU 71 -11.484 -13.014 -2.569 579 H SER 72 HN SER 72 -9.437 -16.785 -5.161 580 HA SER 72 HA SER 72 -8.712 -19.306 -4.931 581 HB2 SER 72 HB2 SER 72 -8.971 -18.019 -7.619 582 HB3 SER 72 HB1 SER 72 -9.610 -19.560 -7.051 583 HG SER 72 HG SER 72 -11.168 -18.582 -5.950 584 H ASP 73 HN ASP 73 -6.866 -16.994 -6.967 585 HA ASP 73 HA ASP 73 -4.729 -19.028 -7.074 586 HB2 ASP 73 HB2 ASP 73 -5.558 -17.036 -9.170 587 HB3 ASP 73 HB1 ASP 73 -3.998 -17.846 -9.204 588 H GLN 74 HN GLN 74 -5.091 -17.110 -5.058 589 HA GLN 74 HA GLN 74 -3.898 -15.806 -3.734 590 HB2 GLN 74 HB2 GLN 74 -1.581 -16.508 -5.547 591 HB3 GLN 74 HB1 GLN 74 -1.392 -15.380 -4.220 592 HG2 GLN 74 HG2 GLN 74 -0.631 -17.513 -3.474 593 HG3 GLN 74 HG1 GLN 74 -2.155 -17.177 -2.660 594 HE21 GLN 74 HE21 GLN 74 -1.739 -18.265 -5.944 595 HE22 GLN 74 HE22 GLN 74 -2.549 -19.773 -5.755 596 H THR 75 HN THR 75 -4.939 -15.066 -6.453 597 HA THR 75 HA THR 75 -4.105 -12.430 -6.968 598 HB THR 75 HB THR 75 -6.903 -13.583 -7.139 599 HG1 THR 75 HG1 THR 75 -4.611 -13.898 -8.785 600 HG21 THR 75 HG21 THR 75 -7.123 -12.076 -9.067 601 HG22 THR 75 HG22 THR 75 -5.475 -11.498 -8.800 602 HG23 THR 75 HG23 THR 75 -6.731 -11.180 -7.600 603 H TRP 76 HN TRP 76 -4.748 -10.470 -5.839 604 HA TRP 76 HA TRP 76 -5.721 -11.202 -3.238 605 HB2 TRP 76 HB2 TRP 76 -4.106 -8.828 -4.123 606 HB3 TRP 76 HB1 TRP 76 -4.775 -9.008 -2.501 607 HD1 TRP 76 HD1 TRP 76 -2.066 -10.381 -4.778 608 HE1 TRP 76 HE1 TRP 76 -0.472 -11.863 -3.402 609 HE3 TRP 76 HE3 TRP 76 -4.657 -10.498 -0.381 610 HZ2 TRP 76 HZ2 TRP 76 -0.325 -12.933 -0.796 611 HZ3 TRP 76 HZ3 TRP 76 -3.724 -11.768 1.504 612 HH2 TRP 76 HH2 TRP 76 -1.605 -12.956 1.303 613 H GLY 77 HN GLY 77 -7.170 -10.123 -2.156 614 HA2 GLY 77 HA2 GLY 77 -8.648 -8.007 -3.292 615 HA3 GLY 77 HA1 GLY 77 -9.518 -9.546 -3.279 616 H LEU 78 HN LEU 78 -10.917 -8.506 -1.773 617 HA LEU 78 HA LEU 78 -9.646 -8.151 0.831 618 HB2 LEU 78 HB2 LEU 78 -12.064 -6.760 -0.251 619 HB3 LEU 78 HB1 LEU 78 -11.529 -6.662 1.411 620 HG LEU 78 HG LEU 78 -9.978 -5.703 -0.992 621 HD11 LEU 78 HD11 LEU 78 -11.934 -4.353 -0.516 622 HD12 LEU 78 HD12 LEU 78 -10.454 -3.489 -0.094 623 HD13 LEU 78 HD13 LEU 78 -11.442 -4.219 1.171 624 HD21 LEU 78 HD21 LEU 78 -9.394 -5.488 1.961 625 HD22 LEU 78 HD22 LEU 78 -8.506 -4.671 0.678 626 HD23 LEU 78 HD23 LEU 78 -8.479 -6.427 0.777 627 H ARG 79 HN ARG 79 -10.328 -9.061 2.494 628 HA ARG 79 HA ARG 79 -12.149 -11.251 2.472 629 HB2 ARG 79 HB2 ARG 79 -10.123 -11.197 3.834 630 HB3 ARG 79 HB1 ARG 79 -10.641 -9.710 4.587 631 HG2 ARG 79 HG2 ARG 79 -12.514 -10.975 5.627 632 HG3 ARG 79 HG1 ARG 79 -11.797 -12.457 4.973 633 HD2 ARG 79 HD2 ARG 79 -9.780 -12.098 6.163 634 HD3 ARG 79 HD1 ARG 79 -10.285 -10.494 6.674 635 HE ARG 79 HE ARG 79 -11.391 -13.050 7.611 636 HH11 ARG 79 HH11 ARG 79 -10.769 -9.582 8.156 637 HH12 ARG 79 HH12 ARG 79 -11.316 -9.608 9.762 638 HH21 ARG 79 HH21 ARG 79 -12.115 -13.069 9.832 639 HH22 ARG 79 HH22 ARG 79 -12.048 -11.642 10.759 640 H SER 80 HN SER 80 -12.240 -7.884 2.886 641 HA SER 80 HA SER 80 -14.445 -7.567 4.611 642 HB2 SER 80 HB2 SER 80 -13.389 -5.638 2.565 643 HB3 SER 80 HB1 SER 80 -14.216 -5.274 4.084 644 HG SER 80 HG SER 80 -12.339 -6.591 4.985 645 H TRP 81 HN TRP 81 -14.196 -8.271 1.187 646 HA TRP 81 HA TRP 81 -16.768 -7.130 0.473 647 HB2 TRP 81 HB2 TRP 81 -15.115 -9.181 -1.002 648 HB3 TRP 81 HB1 TRP 81 -16.523 -8.355 -1.634 649 HD1 TRP 81 HD1 TRP 81 -15.592 -5.365 -0.756 650 HE1 TRP 81 HE1 TRP 81 -13.720 -4.277 -2.159 651 HE3 TRP 81 HE3 TRP 81 -13.483 -9.613 -2.766 652 HZ2 TRP 81 HZ2 TRP 81 -11.677 -5.102 -3.893 653 HZ3 TRP 81 HZ3 TRP 81 -11.607 -9.340 -4.296 654 HH2 TRP 81 HH2 TRP 81 -10.719 -7.136 -4.840 655 H TYR 82 HN TYR 82 -15.435 -10.330 0.738 656 HA TYR 82 HA TYR 82 -18.060 -11.568 0.589 657 HB2 TYR 82 HB2 TYR 82 -15.377 -12.893 0.786 658 HB3 TYR 82 HB1 TYR 82 -16.850 -13.543 0.104 659 HD1 TYR 82 HD2 TYR 82 -17.683 -12.270 -2.103 660 HD2 TYR 82 HD1 TYR 82 -13.713 -12.140 -0.603 661 HE1 TYR 82 HE2 TYR 82 -16.850 -11.713 -4.346 662 HE2 TYR 82 HE1 TYR 82 -12.879 -11.587 -2.820 663 HH TYR 82 HH TYR 82 -14.850 -10.583 -5.348 Start of MODEL 6 1 H1 GLY 2 HT1 GLY 2 -10.610 5.924 -0.604 2 H2 GLY 2 HT2 GLY 2 -10.784 7.078 -1.849 3 H3 GLY 2 HT3 GLY 2 -12.037 6.820 -0.735 4 HA2 GLY 2 HA1 GLY 2 -10.919 8.799 -0.118 5 HA3 GLY 2 HA2 GLY 2 -10.570 7.503 1.026 6 H ILE 3 HN ILE 3 -8.692 6.046 -0.377 7 HA ILE 3 HA ILE 3 -6.455 7.499 0.441 8 HB ILE 3 HB ILE 3 -6.741 4.964 0.369 9 HG12 ILE 3 HG12 ILE 3 -4.284 4.591 -0.090 10 HG13 ILE 3 HG11 ILE 3 -4.204 6.295 -0.522 11 HG21 ILE 3 HG21 ILE 3 -7.361 4.715 -1.941 12 HG22 ILE 3 HG22 ILE 3 -5.896 3.788 -1.603 13 HG23 ILE 3 HG23 ILE 3 -5.793 5.328 -2.466 14 HD11 ILE 3 HD11 ILE 3 -3.503 5.938 1.782 15 HD12 ILE 3 HD12 ILE 3 -5.062 5.191 2.136 16 HD13 ILE 3 HD13 ILE 3 -4.982 6.900 1.727 17 H LYS 4 HN LYS 4 -8.014 7.309 -2.610 18 HA LYS 4 HA LYS 4 -5.805 7.727 -4.311 19 HB2 LYS 4 HB2 LYS 4 -7.922 6.713 -5.045 20 HB3 LYS 4 HB1 LYS 4 -8.720 8.266 -4.872 21 HG2 LYS 4 HG2 LYS 4 -7.242 9.198 -6.610 22 HG3 LYS 4 HG1 LYS 4 -6.486 7.620 -6.793 23 HD2 LYS 4 HD2 LYS 4 -9.398 8.233 -7.273 24 HD3 LYS 4 HD1 LYS 4 -8.176 8.081 -8.531 25 HE2 LYS 4 HE2 LYS 4 -7.795 5.727 -7.791 26 HE3 LYS 4 HE1 LYS 4 -9.105 5.926 -6.633 27 HZ1 LYS 4 HZ1 LYS 4 -10.609 6.374 -8.476 28 HZ2 LYS 4 HZ2 LYS 4 -9.919 4.855 -8.601 29 HZ3 LYS 4 HZ3 LYS 4 -9.366 6.107 -9.591 30 H GLN 5 HN GLN 5 -7.455 9.984 -2.335 31 HA GLN 5 HA GLN 5 -6.728 12.165 -4.139 32 HB2 GLN 5 HB2 GLN 5 -8.123 13.605 -2.847 33 HB3 GLN 5 HB1 GLN 5 -8.998 12.115 -3.137 34 HG2 GLN 5 HG2 GLN 5 -8.487 11.363 -0.879 35 HG3 GLN 5 HG1 GLN 5 -7.599 12.859 -0.581 36 HE21 GLN 5 HE21 GLN 5 -10.703 11.398 -0.925 37 HE22 GLN 5 HE22 GLN 5 -11.598 12.763 -0.400 38 H TYR 6 HN TYR 6 -5.058 10.509 -1.948 39 HA TYR 6 HA TYR 6 -4.003 12.789 -0.532 40 HB2 TYR 6 HB2 TYR 6 -3.335 9.866 -0.307 41 HB3 TYR 6 HB1 TYR 6 -2.520 11.126 0.614 42 HD1 TYR 6 HD1 TYR 6 -4.201 12.759 1.871 43 HD2 TYR 6 HD2 TYR 6 -5.076 8.803 0.685 44 HE1 TYR 6 HE1 TYR 6 -5.963 12.671 3.561 45 HE2 TYR 6 HE2 TYR 6 -6.870 8.680 2.389 46 HH TYR 6 HH TYR 6 -7.932 11.515 3.935 47 H SER 7 HN SER 7 -1.787 13.171 -0.343 48 HA SER 7 HA SER 7 -0.503 13.456 -2.970 49 HB2 SER 7 HB2 SER 7 0.465 14.504 -0.338 50 HB3 SER 7 HB1 SER 7 0.584 15.228 -1.948 51 HG SER 7 HG SER 7 -1.624 15.061 -0.209 52 H GLN 8 HN GLN 8 1.901 13.346 -2.916 53 HA GLN 8 HA GLN 8 2.656 10.691 -2.844 54 HB2 GLN 8 HB2 GLN 8 3.643 12.400 -4.246 55 HB3 GLN 8 HB1 GLN 8 4.355 13.159 -2.829 56 HG2 GLN 8 HG2 GLN 8 5.556 11.015 -2.423 57 HG3 GLN 8 HG1 GLN 8 4.881 10.515 -3.975 58 HE21 GLN 8 HE21 GLN 8 7.712 11.105 -3.048 59 HE22 GLN 8 HE22 GLN 8 8.334 12.191 -4.237 60 H GLU 9 HN GLU 9 3.744 13.277 -0.606 61 HA GLU 9 HA GLU 9 5.314 11.559 1.045 62 HB2 GLU 9 HB2 GLU 9 5.522 13.473 2.520 63 HB3 GLU 9 HB1 GLU 9 5.620 14.043 0.859 64 HG2 GLU 9 HG2 GLU 9 3.258 14.728 0.970 65 HG3 GLU 9 HG1 GLU 9 3.189 14.164 2.623 66 H GLU 10 HN GLU 10 2.106 12.461 0.880 67 HA GLU 10 HA GLU 10 1.284 11.995 3.538 68 HB2 GLU 10 HB2 GLU 10 0.352 13.583 1.908 69 HB3 GLU 10 HB1 GLU 10 -0.197 12.225 0.958 70 HG2 GLU 10 HG2 GLU 10 -1.840 11.675 2.517 71 HG3 GLU 10 HG1 GLU 10 -1.088 12.665 3.773 72 H LEU 11 HN LEU 11 0.960 10.319 0.459 73 HA LEU 11 HA LEU 11 -0.239 7.962 1.439 74 HB2 LEU 11 HB2 LEU 11 1.361 8.559 -1.021 75 HB3 LEU 11 HB1 LEU 11 0.549 7.026 -0.729 76 HG LEU 11 HG LEU 11 -0.950 9.628 -0.750 77 HD11 LEU 11 HD11 LEU 11 0.237 9.364 -2.873 78 HD12 LEU 11 HD12 LEU 11 -1.510 9.185 -3.059 79 HD13 LEU 11 HD13 LEU 11 -0.470 7.756 -3.055 80 HD21 LEU 11 HD21 LEU 11 -1.720 6.741 -1.117 81 HD22 LEU 11 HD22 LEU 11 -2.812 8.105 -1.290 82 HD23 LEU 11 HD23 LEU 11 -2.085 7.756 0.280 83 H LYS 12 HN LYS 12 3.048 9.030 1.146 84 HA LYS 12 HA LYS 12 4.412 6.651 1.716 85 HB2 LYS 12 HB2 LYS 12 4.915 9.547 2.012 86 HB3 LYS 12 HB1 LYS 12 5.910 8.516 3.006 87 HG2 LYS 12 HG2 LYS 12 5.670 8.159 0.031 88 HG3 LYS 12 HG1 LYS 12 6.847 9.242 0.776 89 HD2 LYS 12 HD2 LYS 12 7.639 7.271 2.136 90 HD3 LYS 12 HD1 LYS 12 6.617 6.257 1.120 91 HE2 LYS 12 HE2 LYS 12 7.863 6.810 -0.834 92 HE3 LYS 12 HE1 LYS 12 8.733 8.089 0.009 93 HZ1 LYS 12 HZ1 LYS 12 9.771 6.402 1.394 94 HZ2 LYS 12 HZ2 LYS 12 10.111 6.140 -0.223 95 HZ3 LYS 12 HZ3 LYS 12 8.978 5.177 0.560 96 H GLU 13 HN GLU 13 2.894 9.056 3.789 97 HA GLU 13 HA GLU 13 3.594 7.582 6.164 98 HB2 GLU 13 HB2 GLU 13 2.112 10.171 5.773 99 HB3 GLU 13 HB1 GLU 13 2.501 9.469 7.341 100 HG2 GLU 13 HG2 GLU 13 4.499 10.304 5.248 101 HG3 GLU 13 HG1 GLU 13 4.100 11.204 6.712 102 H MET 14 HN MET 14 1.350 6.994 3.990 103 HA MET 14 HA MET 14 -0.751 6.367 5.928 104 HB2 MET 14 HB2 MET 14 -0.830 6.344 2.898 105 HB3 MET 14 HB1 MET 14 -2.143 5.783 3.913 106 HG2 MET 14 HG2 MET 14 -1.061 8.591 3.782 107 HG3 MET 14 HG1 MET 14 -2.569 8.020 3.075 108 HE1 MET 14 HE1 MET 14 -4.724 7.248 6.256 109 HE2 MET 14 HE2 MET 14 -3.712 6.104 5.381 110 HE3 MET 14 HE3 MET 14 -4.685 7.279 4.493 111 H ALA 15 HN ALA 15 -1.394 4.288 6.243 112 HA ALA 15 HA ALA 15 0.598 2.313 6.012 113 HB1 ALA 15 HB1 ALA 15 -2.347 2.067 6.615 114 HB2 ALA 15 HB2 ALA 15 -1.055 2.258 7.803 115 HB3 ALA 15 HB3 ALA 15 -1.165 0.784 6.843 116 H LEU 16 HN LEU 16 0.956 0.894 4.494 117 HA LEU 16 HA LEU 16 -0.325 1.300 2.008 118 HB2 LEU 16 HB2 LEU 16 1.201 -0.513 1.105 119 HB3 LEU 16 HB1 LEU 16 1.947 0.959 1.681 120 HG LEU 16 HG LEU 16 1.862 -1.512 3.422 121 HD11 LEU 16 HD11 LEU 16 3.945 -0.743 1.374 122 HD12 LEU 16 HD12 LEU 16 2.837 -2.106 1.234 123 HD13 LEU 16 HD13 LEU 16 4.055 -2.085 2.512 124 HD21 LEU 16 HD21 LEU 16 2.563 0.618 4.497 125 HD22 LEU 16 HD22 LEU 16 3.740 0.850 3.217 126 HD23 LEU 16 HD23 LEU 16 3.911 -0.499 4.327 127 H VAL 17 HN VAL 17 -0.625 -1.092 4.460 128 HA VAL 17 HA VAL 17 -2.155 -2.847 2.877 129 HB VAL 17 HB VAL 17 -1.159 -3.440 5.109 130 HG11 VAL 17 HG11 VAL 17 -3.464 -1.912 6.264 131 HG12 VAL 17 HG12 VAL 17 -1.757 -1.506 6.399 132 HG13 VAL 17 HG13 VAL 17 -2.376 -2.969 7.165 133 HG21 VAL 17 HG21 VAL 17 -2.749 -4.932 4.087 134 HG22 VAL 17 HG22 VAL 17 -4.091 -4.015 4.769 135 HG23 VAL 17 HG23 VAL 17 -3.001 -4.902 5.833 136 H GLU 18 HN GLU 18 -2.908 0.116 4.588 137 HA GLU 18 HA GLU 18 -5.725 -0.182 4.245 138 HB2 GLU 18 HB2 GLU 18 -4.112 2.286 4.925 139 HB3 GLU 18 HB1 GLU 18 -5.870 2.240 4.861 140 HG2 GLU 18 HG2 GLU 18 -4.067 0.762 6.758 141 HG3 GLU 18 HG1 GLU 18 -5.224 2.042 7.142 142 H ILE 19 HN ILE 19 -3.142 1.443 2.546 143 HA ILE 19 HA ILE 19 -4.631 2.670 0.524 144 HB ILE 19 HB ILE 19 -1.917 1.318 0.210 145 HG12 ILE 19 HG12 ILE 19 -2.556 4.201 0.915 146 HG13 ILE 19 HG11 ILE 19 -1.917 2.996 2.020 147 HG21 ILE 19 HG21 ILE 19 -2.917 1.783 -1.950 148 HG22 ILE 19 HG22 ILE 19 -1.570 2.887 -1.668 149 HG23 ILE 19 HG23 ILE 19 -3.224 3.454 -1.483 150 HD11 ILE 19 HD11 ILE 19 -0.539 4.101 -0.410 151 HD12 ILE 19 HD12 ILE 19 0.131 2.877 0.665 152 HD13 ILE 19 HD13 ILE 19 -0.178 4.508 1.267 153 H ALA 20 HN ALA 20 -3.325 -0.597 0.755 154 HA ALA 20 HA ALA 20 -4.367 -1.533 -1.667 155 HB1 ALA 20 HB1 ALA 20 -2.532 -2.611 -0.420 156 HB2 ALA 20 HB2 ALA 20 -3.800 -3.735 -0.878 157 HB3 ALA 20 HB3 ALA 20 -3.697 -3.152 0.788 158 H HIS 21 HN HIS 21 -5.703 -1.723 1.658 159 HA HIS 21 HA HIS 21 -8.064 -3.115 1.052 160 HB2 HIS 21 HB2 HIS 21 -7.592 -0.966 3.147 161 HB3 HIS 21 HB1 HIS 21 -9.139 -1.797 2.979 162 HD1 HIS 21 HD1 HIS 21 -6.412 -1.885 5.229 163 HD2 HIS 21 HD2 HIS 21 -8.395 -4.869 3.075 164 HE1 HIS 21 HE1 HIS 21 -5.909 -3.964 6.372 165 HE2 HIS 21 HE2 HIS 21 -6.864 -5.770 5.040 166 H GLU 22 HN GLU 22 -7.462 0.357 0.980 167 HA GLU 22 HA GLU 22 -9.924 1.258 0.068 168 HB2 GLU 22 HB2 GLU 22 -7.132 2.250 -0.043 169 HB3 GLU 22 HB1 GLU 22 -8.408 3.123 -0.867 170 HG2 GLU 22 HG2 GLU 22 -8.574 2.393 2.038 171 HG3 GLU 22 HG1 GLU 22 -7.898 3.925 1.494 172 H LEU 23 HN LEU 23 -7.085 0.183 -1.670 173 HA LEU 23 HA LEU 23 -7.770 0.857 -4.273 174 HB2 LEU 23 HB2 LEU 23 -5.573 0.112 -3.486 175 HB3 LEU 23 HB1 LEU 23 -6.204 -1.490 -3.224 176 HG LEU 23 HG LEU 23 -6.354 -1.864 -5.652 177 HD11 LEU 23 HD11 LEU 23 -6.959 0.479 -6.265 178 HD12 LEU 23 HD12 LEU 23 -5.618 -0.163 -7.203 179 HD13 LEU 23 HD13 LEU 23 -5.306 0.966 -5.884 180 HD21 LEU 23 HD21 LEU 23 -3.789 -0.582 -4.801 181 HD22 LEU 23 HD22 LEU 23 -3.999 -1.762 -6.110 182 HD23 LEU 23 HD23 LEU 23 -4.281 -2.230 -4.426 183 H PHE 24 HN PHE 24 -8.483 -2.067 -2.429 184 HA PHE 24 HA PHE 24 -9.950 -3.219 -4.600 185 HB2 PHE 24 HB2 PHE 24 -9.610 -4.117 -1.753 186 HB3 PHE 24 HB1 PHE 24 -10.560 -5.006 -2.954 187 HD1 PHE 24 HD1 PHE 24 -9.482 -5.672 -5.061 188 HD2 PHE 24 HD2 PHE 24 -7.287 -4.323 -1.719 189 HE1 PHE 24 HE1 PHE 24 -7.473 -6.632 -6.000 190 HE2 PHE 24 HE2 PHE 24 -5.241 -5.301 -2.660 191 HZ PHE 24 HZ PHE 24 -5.343 -6.459 -4.820 192 H GLU 25 HN GLU 25 -10.733 -1.289 -1.888 193 HA GLU 25 HA GLU 25 -13.524 -1.635 -1.958 194 HB2 GLU 25 HB2 GLU 25 -12.199 -0.522 -0.113 195 HB3 GLU 25 HB1 GLU 25 -11.906 0.826 -1.189 196 HG2 GLU 25 HG2 GLU 25 -14.657 -0.006 -0.258 197 HG3 GLU 25 HG1 GLU 25 -13.660 1.172 0.574 198 H GLU 26 HN GLU 26 -11.344 0.704 -3.483 199 HA GLU 26 HA GLU 26 -13.241 2.135 -4.956 200 HB2 GLU 26 HB2 GLU 26 -10.716 2.599 -4.398 201 HB3 GLU 26 HB1 GLU 26 -10.405 1.701 -5.867 202 HG2 GLU 26 HG2 GLU 26 -12.121 4.176 -5.767 203 HG3 GLU 26 HG1 GLU 26 -10.392 4.197 -6.063 204 H HIS 27 HN HIS 27 -11.116 -0.560 -5.955 205 HA HIS 27 HA HIS 27 -12.153 -0.791 -8.589 206 HB2 HIS 27 HB2 HIS 27 -10.507 -2.630 -6.915 207 HB3 HIS 27 HB1 HIS 27 -11.247 -3.239 -8.383 208 HD1 HIS 27 HD1 HIS 27 -10.397 -2.144 -10.657 209 HD2 HIS 27 HD2 HIS 27 -8.219 -1.133 -7.268 210 HE1 HIS 27 HE1 HIS 27 -8.205 -1.365 -11.493 211 HE2 HIS 27 HE2 HIS 27 -6.994 -0.536 -9.518 212 H LYS 28 HN LYS 28 -13.270 -2.193 -5.574 213 HA LYS 28 HA LYS 28 -15.123 -3.407 -4.996 214 HB2 LYS 28 HB2 LYS 28 -16.094 -2.836 -7.817 215 HB3 LYS 28 HB1 LYS 28 -17.081 -3.412 -6.491 216 HG2 LYS 28 HG2 LYS 28 -15.667 -0.778 -6.438 217 HG3 LYS 28 HG1 LYS 28 -17.290 -0.961 -7.119 218 HD2 LYS 28 HD2 LYS 28 -18.042 -1.808 -4.918 219 HD3 LYS 28 HD1 LYS 28 -16.416 -1.524 -4.283 220 HE2 LYS 28 HE2 LYS 28 -18.266 0.579 -5.420 221 HE3 LYS 28 HE1 LYS 28 -17.981 0.290 -3.711 222 HZ1 LYS 28 HZ1 LYS 28 -15.966 1.182 -5.693 223 HZ2 LYS 28 HZ2 LYS 28 -15.644 0.843 -4.071 224 HZ3 LYS 28 HZ3 LYS 28 -16.649 2.132 -4.475 225 H LYS 29 HN LYS 29 -12.772 -4.560 -6.636 226 HA LYS 29 HA LYS 29 -13.832 -7.129 -7.394 227 HB2 LYS 29 HB2 LYS 29 -14.205 -5.585 -9.367 228 HB3 LYS 29 HB1 LYS 29 -12.488 -5.252 -9.379 229 HG2 LYS 29 HG2 LYS 29 -12.891 -6.788 -11.108 230 HG3 LYS 29 HG1 LYS 29 -12.140 -7.715 -9.816 231 HD2 LYS 29 HD2 LYS 29 -14.483 -8.422 -9.125 232 HD3 LYS 29 HD1 LYS 29 -15.053 -7.616 -10.576 233 HE2 LYS 29 HE2 LYS 29 -13.047 -9.860 -10.534 234 HE3 LYS 29 HE1 LYS 29 -14.749 -10.029 -10.941 235 HZ1 LYS 29 HZ1 LYS 29 -14.398 -8.571 -12.838 236 HZ2 LYS 29 HZ2 LYS 29 -13.365 -9.896 -12.883 237 HZ3 LYS 29 HZ3 LYS 29 -12.763 -8.393 -12.434 238 HA PRO 30 HA PRO 30 -9.596 -7.976 -5.969 239 HB2 PRO 30 HB2 PRO 30 -9.070 -10.271 -7.312 240 HB3 PRO 30 HB1 PRO 30 -10.117 -10.201 -5.889 241 HG2 PRO 30 HG2 PRO 30 -10.881 -10.168 -8.789 242 HG3 PRO 30 HG1 PRO 30 -11.551 -11.161 -7.478 243 HD2 PRO 30 HD2 PRO 30 -12.814 -8.987 -8.288 244 HD3 PRO 30 HD1 PRO 30 -12.716 -9.360 -6.555 245 H VAL 31 HN VAL 31 -7.455 -8.141 -6.706 246 HA VAL 31 HA VAL 31 -6.900 -7.485 -9.481 247 HB VAL 31 HB VAL 31 -5.982 -5.792 -7.096 248 HG11 VAL 31 HG11 VAL 31 -4.176 -6.009 -8.652 249 HG12 VAL 31 HG12 VAL 31 -4.832 -4.373 -8.703 250 HG13 VAL 31 HG13 VAL 31 -5.220 -5.523 -9.983 251 HG21 VAL 31 HG21 VAL 31 -7.677 -5.003 -9.466 252 HG22 VAL 31 HG22 VAL 31 -7.131 -3.926 -8.182 253 HG23 VAL 31 HG23 VAL 31 -8.252 -5.238 -7.817 254 HA PRO 32 HA PRO 32 -3.639 -10.510 -8.602 255 HB2 PRO 32 HB2 PRO 32 -2.247 -8.910 -10.699 256 HB3 PRO 32 HB1 PRO 32 -2.464 -10.661 -10.586 257 HG2 PRO 32 HG2 PRO 32 -3.915 -9.280 -12.302 258 HG3 PRO 32 HG1 PRO 32 -4.661 -10.570 -11.339 259 HD2 PRO 32 HD2 PRO 32 -4.822 -7.608 -10.981 260 HD3 PRO 32 HD1 PRO 32 -6.079 -8.852 -10.785 261 H PHE 33 HN PHE 33 -1.711 -10.508 -7.498 262 HA PHE 33 HA PHE 33 -1.149 -8.439 -5.783 263 HB2 PHE 33 HB2 PHE 33 -0.516 -10.796 -5.414 264 HB3 PHE 33 HB1 PHE 33 0.745 -10.626 -6.639 265 HD1 PHE 33 HD2 PHE 33 -0.346 -9.578 -3.285 266 HD2 PHE 33 HD1 PHE 33 2.831 -9.621 -6.109 267 HE1 PHE 33 HE2 PHE 33 1.210 -8.820 -1.543 268 HE2 PHE 33 HE1 PHE 33 4.389 -8.866 -4.369 269 HZ PHE 33 HZ PHE 33 3.580 -8.462 -2.085 270 H GLN 34 HN GLN 34 0.532 -9.202 -8.809 271 HA GLN 34 HA GLN 34 2.553 -7.209 -8.492 272 HB2 GLN 34 HB2 GLN 34 2.238 -9.332 -10.152 273 HB3 GLN 34 HB1 GLN 34 1.714 -8.047 -11.220 274 HG2 GLN 34 HG2 GLN 34 4.423 -8.363 -9.924 275 HG3 GLN 34 HG1 GLN 34 4.030 -8.565 -11.620 276 HE21 GLN 34 HE21 GLN 34 4.802 -6.355 -9.112 277 HE22 GLN 34 HE22 GLN 34 4.928 -4.943 -10.095 278 H GLU 35 HN GLU 35 -0.740 -7.216 -9.692 279 HA GLU 35 HA GLU 35 -0.471 -4.842 -11.264 280 HB2 GLU 35 HB2 GLU 35 -2.854 -6.450 -10.381 281 HB3 GLU 35 HB1 GLU 35 -2.968 -5.022 -11.395 282 HG2 GLU 35 HG2 GLU 35 -1.458 -7.526 -12.076 283 HG3 GLU 35 HG1 GLU 35 -3.062 -7.098 -12.680 284 H LEU 36 HN LEU 36 -1.816 -5.765 -8.148 285 HA LEU 36 HA LEU 36 -2.869 -3.245 -7.573 286 HB2 LEU 36 HB2 LEU 36 -3.093 -4.021 -5.242 287 HB3 LEU 36 HB1 LEU 36 -3.705 -5.182 -6.390 288 HG LEU 36 HG LEU 36 -1.415 -6.353 -6.069 289 HD11 LEU 36 HD11 LEU 36 -1.501 -4.773 -3.517 290 HD12 LEU 36 HD12 LEU 36 -0.366 -4.541 -4.842 291 HD13 LEU 36 HD13 LEU 36 -0.365 -6.061 -3.950 292 HD21 LEU 36 HD21 LEU 36 -3.487 -6.339 -3.889 293 HD22 LEU 36 HD22 LEU 36 -2.262 -7.580 -4.124 294 HD23 LEU 36 HD23 LEU 36 -3.503 -7.330 -5.353 295 H LEU 37 HN LEU 37 0.322 -4.548 -7.143 296 HA LEU 37 HA LEU 37 1.324 -2.492 -5.490 297 HB2 LEU 37 HB2 LEU 37 2.562 -4.439 -7.377 298 HB3 LEU 37 HB1 LEU 37 3.542 -3.343 -6.391 299 HG LEU 37 HG LEU 37 1.633 -5.452 -5.395 300 HD11 LEU 37 HD11 LEU 37 3.495 -6.437 -6.552 301 HD12 LEU 37 HD12 LEU 37 3.662 -6.678 -4.814 302 HD13 LEU 37 HD13 LEU 37 4.623 -5.447 -5.636 303 HD21 LEU 37 HD21 LEU 37 2.791 -5.062 -3.238 304 HD22 LEU 37 HD22 LEU 37 1.869 -3.673 -3.794 305 HD23 LEU 37 HD23 LEU 37 3.621 -3.680 -3.963 306 H ASN 38 HN ASN 38 1.155 -2.991 -8.967 307 HA ASN 38 HA ASN 38 2.519 -0.616 -9.668 308 HB2 ASN 38 HB2 ASN 38 0.608 -2.377 -11.184 309 HB3 ASN 38 HB1 ASN 38 1.117 -0.835 -11.854 310 HD21 ASN 38 HD21 ASN 38 2.094 -4.063 -11.045 311 HD22 ASN 38 HD22 ASN 38 3.575 -4.029 -11.897 312 H GLU 39 HN GLU 39 -0.875 -1.361 -9.165 313 HA GLU 39 HA GLU 39 -2.028 1.111 -9.687 314 HB2 GLU 39 HB2 GLU 39 -2.734 -0.879 -7.537 315 HB3 GLU 39 HB1 GLU 39 -3.762 0.451 -8.050 316 HG2 GLU 39 HG2 GLU 39 -2.860 -1.789 -9.839 317 HG3 GLU 39 HG1 GLU 39 -4.384 -1.768 -8.960 318 H ILE 40 HN ILE 40 -0.789 -0.159 -6.600 319 HA ILE 40 HA ILE 40 -1.190 2.106 -5.037 320 HB ILE 40 HB ILE 40 0.967 -0.021 -4.760 321 HG12 ILE 40 HG12 ILE 40 -1.670 0.286 -3.299 322 HG13 ILE 40 HG11 ILE 40 -1.387 -0.822 -4.634 323 HG21 ILE 40 HG21 ILE 40 1.645 1.965 -3.533 324 HG22 ILE 40 HG22 ILE 40 1.161 0.698 -2.405 325 HG23 ILE 40 HG23 ILE 40 0.071 2.043 -2.742 326 HD11 ILE 40 HD11 ILE 40 -0.007 -0.901 -1.955 327 HD12 ILE 40 HD12 ILE 40 0.266 -2.015 -3.296 328 HD13 ILE 40 HD13 ILE 40 -1.302 -1.972 -2.495 329 H ALA 41 HN ALA 41 1.728 1.176 -6.860 330 HA ALA 41 HA ALA 41 3.233 3.414 -6.109 331 HB1 ALA 41 HB1 ALA 41 4.694 2.922 -7.975 332 HB2 ALA 41 HB2 ALA 41 3.472 1.858 -8.680 333 HB3 ALA 41 HB3 ALA 41 4.234 1.439 -7.138 334 H SER 42 HN SER 42 1.013 2.987 -8.839 335 HA SER 42 HA SER 42 1.513 5.609 -9.831 336 HB2 SER 42 HB2 SER 42 -0.480 5.176 -11.324 337 HB3 SER 42 HB1 SER 42 0.791 3.964 -11.439 338 HG SER 42 HG SER 42 -1.121 3.354 -9.537 339 H LEU 43 HN LEU 43 -0.601 4.360 -7.465 340 HA LEU 43 HA LEU 43 -2.430 6.519 -7.292 341 HB2 LEU 43 HB2 LEU 43 -2.468 4.103 -6.265 342 HB3 LEU 43 HB1 LEU 43 -1.465 4.776 -5.012 343 HG LEU 43 HG LEU 43 -3.766 4.564 -4.283 344 HD11 LEU 43 HD11 LEU 43 -4.205 6.791 -3.474 345 HD12 LEU 43 HD12 LEU 43 -3.061 7.455 -4.643 346 HD13 LEU 43 HD13 LEU 43 -2.491 6.397 -3.353 347 HD21 LEU 43 HD21 LEU 43 -5.575 5.825 -5.300 348 HD22 LEU 43 HD22 LEU 43 -4.846 4.717 -6.462 349 HD23 LEU 43 HD23 LEU 43 -4.472 6.437 -6.530 350 H LEU 44 HN LEU 44 0.580 5.620 -5.752 351 HA LEU 44 HA LEU 44 0.971 8.135 -4.434 352 HB2 LEU 44 HB2 LEU 44 2.700 5.715 -4.879 353 HB3 LEU 44 HB1 LEU 44 3.376 7.189 -4.236 354 HG LEU 44 HG LEU 44 1.872 6.986 -2.280 355 HD11 LEU 44 HD11 LEU 44 0.054 5.690 -3.226 356 HD12 LEU 44 HD12 LEU 44 0.742 4.868 -1.822 357 HD13 LEU 44 HD13 LEU 44 1.137 4.319 -3.450 358 HD21 LEU 44 HD21 LEU 44 3.627 4.609 -2.820 359 HD22 LEU 44 HD22 LEU 44 3.049 5.108 -1.229 360 HD23 LEU 44 HD23 LEU 44 4.130 6.159 -2.146 361 H GLY 45 HN GLY 45 2.970 9.339 -4.889 362 HA2 GLY 45 HA2 GLY 45 3.388 9.598 -7.792 363 HA3 GLY 45 HA1 GLY 45 3.648 10.894 -6.619 364 H VAL 46 HN VAL 46 4.644 7.515 -6.662 365 HA VAL 46 HA VAL 46 7.365 8.472 -6.113 366 HB VAL 46 HB VAL 46 7.734 6.535 -4.684 367 HG11 VAL 46 HG11 VAL 46 6.970 8.539 -3.596 368 HG12 VAL 46 HG12 VAL 46 6.295 7.124 -2.787 369 HG13 VAL 46 HG13 VAL 46 5.292 8.084 -3.873 370 HG21 VAL 46 HG21 VAL 46 5.854 5.060 -4.007 371 HG22 VAL 46 HG22 VAL 46 6.257 4.922 -5.718 372 HG23 VAL 46 HG23 VAL 46 4.842 5.845 -5.229 373 H LYS 47 HN LYS 47 9.043 6.949 -6.669 374 HA LYS 47 HA LYS 47 8.608 5.736 -9.212 375 HB2 LYS 47 HB2 LYS 47 11.001 5.737 -7.360 376 HB3 LYS 47 HB1 LYS 47 10.987 4.908 -8.906 377 HG2 LYS 47 HG2 LYS 47 10.447 7.130 -9.950 378 HG3 LYS 47 HG1 LYS 47 10.779 7.850 -8.379 379 HD2 LYS 47 HD2 LYS 47 12.744 6.035 -9.688 380 HD3 LYS 47 HD1 LYS 47 12.706 7.745 -10.171 381 HE2 LYS 47 HE2 LYS 47 14.406 7.655 -8.567 382 HE3 LYS 47 HE1 LYS 47 13.025 8.093 -7.573 383 HZ1 LYS 47 HZ1 LYS 47 12.953 5.884 -6.651 384 HZ2 LYS 47 HZ2 LYS 47 14.594 6.193 -6.802 385 HZ3 LYS 47 HZ3 LYS 47 13.797 5.296 -7.977 386 H LYS 48 HN LYS 48 9.198 3.482 -9.626 387 HA LYS 48 HA LYS 48 7.548 1.842 -8.043 388 HB2 LYS 48 HB2 LYS 48 7.901 1.495 -10.469 389 HB3 LYS 48 HB1 LYS 48 9.551 0.998 -10.131 390 HG2 LYS 48 HG2 LYS 48 8.276 -0.995 -10.401 391 HG3 LYS 48 HG1 LYS 48 8.652 -0.794 -8.688 392 HD2 LYS 48 HD2 LYS 48 6.312 -1.506 -8.891 393 HD3 LYS 48 HD1 LYS 48 6.372 0.149 -8.324 394 HE2 LYS 48 HE2 LYS 48 4.663 -0.226 -10.069 395 HE3 LYS 48 HE1 LYS 48 5.848 0.989 -10.523 396 HZ1 LYS 48 HZ1 LYS 48 6.079 -1.846 -11.366 397 HZ2 LYS 48 HZ2 LYS 48 6.858 -0.495 -12.045 398 HZ3 LYS 48 HZ3 LYS 48 5.207 -0.720 -12.238 399 H GLU 49 HN GLU 49 11.015 2.310 -8.244 400 HA GLU 49 HA GLU 49 11.996 0.154 -6.813 401 HB2 GLU 49 HB2 GLU 49 13.058 2.965 -6.518 402 HB3 GLU 49 HB1 GLU 49 13.949 1.471 -6.320 403 HG2 GLU 49 HG2 GLU 49 14.686 2.202 -8.399 404 HG3 GLU 49 HG1 GLU 49 13.362 1.145 -8.864 405 H GLU 50 HN GLU 50 10.762 3.196 -5.635 406 HA GLU 50 HA GLU 50 11.327 3.071 -2.891 407 HB2 GLU 50 HB2 GLU 50 8.710 4.157 -3.870 408 HB3 GLU 50 HB1 GLU 50 9.777 4.818 -2.655 409 HG2 GLU 50 HG2 GLU 50 10.213 4.862 -5.626 410 HG3 GLU 50 HG1 GLU 50 9.648 6.208 -4.656 411 H LEU 51 HN LEU 51 8.499 2.189 -4.749 412 HA LEU 51 HA LEU 51 7.117 1.099 -2.533 413 HB2 LEU 51 HB2 LEU 51 6.047 2.333 -4.446 414 HB3 LEU 51 HB1 LEU 51 6.452 0.987 -5.470 415 HG LEU 51 HG LEU 51 4.026 1.217 -4.743 416 HD11 LEU 51 HD11 LEU 51 5.378 -1.408 -4.198 417 HD12 LEU 51 HD12 LEU 51 4.798 -0.827 -5.760 418 HD13 LEU 51 HD13 LEU 51 3.651 -1.174 -4.467 419 HD21 LEU 51 HD21 LEU 51 5.133 0.173 -2.145 420 HD22 LEU 51 HD22 LEU 51 3.424 0.309 -2.557 421 HD23 LEU 51 HD23 LEU 51 4.414 1.761 -2.409 422 H GLY 52 HN GLY 52 9.462 -0.052 -4.684 423 HA2 GLY 52 HA2 GLY 52 8.830 -2.806 -4.844 424 HA3 GLY 52 HA1 GLY 52 10.417 -2.079 -5.063 425 H ASP 53 HN ASP 53 11.032 -1.011 -2.725 426 HA ASP 53 HA ASP 53 11.548 -3.229 -1.036 427 HB2 ASP 53 HB2 ASP 53 11.767 -0.260 -0.513 428 HB3 ASP 53 HB1 ASP 53 12.243 -1.475 0.671 429 H ARG 54 HN ARG 54 9.132 -0.753 -1.114 430 HA ARG 54 HA ARG 54 7.833 -1.734 1.161 431 HB2 ARG 54 HB2 ARG 54 7.160 0.298 -0.797 432 HB3 ARG 54 HB1 ARG 54 5.752 -0.549 -0.149 433 HG2 ARG 54 HG2 ARG 54 6.594 -0.065 2.120 434 HG3 ARG 54 HG1 ARG 54 7.893 0.877 1.397 435 HD2 ARG 54 HD2 ARG 54 6.375 2.440 0.507 436 HD3 ARG 54 HD1 ARG 54 4.974 1.463 0.889 437 HE ARG 54 HE ARG 54 6.661 2.175 3.153 438 HH11 ARG 54 HH11 ARG 54 3.764 3.273 1.360 439 HH12 ARG 54 HH12 ARG 54 3.245 4.277 2.643 440 HH21 ARG 54 HH21 ARG 54 5.943 3.428 4.767 441 HH22 ARG 54 HH22 ARG 54 4.561 4.457 4.632 442 H ILE 55 HN ILE 55 7.988 -3.139 -1.908 443 HA ILE 55 HA ILE 55 5.540 -4.610 -1.771 444 HB ILE 55 HB ILE 55 8.139 -5.263 -3.221 445 HG12 ILE 55 HG12 ILE 55 5.542 -4.168 -4.310 446 HG13 ILE 55 HG11 ILE 55 6.994 -3.226 -4.024 447 HG21 ILE 55 HG21 ILE 55 6.854 -6.897 -4.533 448 HG22 ILE 55 HG22 ILE 55 5.445 -6.590 -3.516 449 HG23 ILE 55 HG23 ILE 55 6.895 -7.308 -2.818 450 HD11 ILE 55 HD11 ILE 55 6.755 -3.771 -6.379 451 HD12 ILE 55 HD12 ILE 55 6.709 -5.491 -5.991 452 HD13 ILE 55 HD13 ILE 55 8.178 -4.572 -5.709 453 H ALA 56 HN ALA 56 8.885 -5.165 -0.880 454 HA ALA 56 HA ALA 56 8.510 -7.716 0.291 455 HB1 ALA 56 HB1 ALA 56 10.611 -7.289 1.477 456 HB2 ALA 56 HB2 ALA 56 10.529 -5.588 1.015 457 HB3 ALA 56 HB3 ALA 56 10.737 -6.831 -0.221 458 H GLN 57 HN GLN 57 8.374 -4.474 1.598 459 HA GLN 57 HA GLN 57 7.745 -4.993 4.289 460 HB2 GLN 57 HB2 GLN 57 8.225 -2.753 2.992 461 HB3 GLN 57 HB1 GLN 57 6.499 -2.745 2.711 462 HG2 GLN 57 HG2 GLN 57 7.911 -2.584 5.375 463 HG3 GLN 57 HG1 GLN 57 7.078 -1.285 4.543 464 HE21 GLN 57 HE21 GLN 57 6.766 -4.035 6.592 465 HE22 GLN 57 HE22 GLN 57 5.101 -3.829 6.952 466 H PHE 58 HN PHE 58 5.750 -4.552 1.429 467 HA PHE 58 HA PHE 58 3.254 -4.802 2.574 468 HB2 PHE 58 HB2 PHE 58 3.746 -3.850 0.342 469 HB3 PHE 58 HB1 PHE 58 4.059 -5.473 -0.242 470 HD1 PHE 58 HD1 PHE 58 1.355 -3.722 1.659 471 HD2 PHE 58 HD2 PHE 58 2.417 -6.365 -1.489 472 HE1 PHE 58 HE1 PHE 58 -1.014 -3.921 1.033 473 HE2 PHE 58 HE2 PHE 58 0.089 -6.571 -2.127 474 HZ PHE 58 HZ PHE 58 -1.661 -5.353 -0.862 475 H TYR 59 HN TYR 59 5.282 -7.376 1.076 476 HA TYR 59 HA TYR 59 3.450 -9.472 1.411 477 HB2 TYR 59 HB2 TYR 59 6.447 -9.457 1.624 478 HB3 TYR 59 HB1 TYR 59 5.536 -10.913 1.962 479 HD1 TYR 59 HD2 TYR 59 4.086 -11.865 0.106 480 HD2 TYR 59 HD1 TYR 59 7.031 -8.882 -0.565 481 HE1 TYR 59 HE2 TYR 59 4.187 -12.512 -2.266 482 HE2 TYR 59 HE1 TYR 59 7.146 -9.518 -2.930 483 HH TYR 59 HH TYR 59 6.699 -11.437 -4.278 484 H THR 60 HN THR 60 5.715 -8.144 3.682 485 HA THR 60 HA THR 60 5.234 -9.857 5.857 486 HB THR 60 HB THR 60 6.210 -6.997 5.779 487 HG1 THR 60 HG1 THR 60 7.580 -8.210 4.503 488 HG21 THR 60 HG21 THR 60 7.370 -7.574 7.890 489 HG22 THR 60 HG22 THR 60 6.605 -9.165 7.866 490 HG23 THR 60 HG23 THR 60 5.620 -7.717 8.053 491 H ASP 61 HN ASP 61 3.981 -6.660 5.043 492 HA ASP 61 HA ASP 61 2.434 -6.251 7.390 493 HB2 ASP 61 HB2 ASP 61 3.533 -4.517 6.005 494 HB3 ASP 61 HB1 ASP 61 2.397 -4.861 4.717 495 H LEU 62 HN LEU 62 1.741 -7.407 4.182 496 HA LEU 62 HA LEU 62 -1.093 -7.247 4.291 497 HB2 LEU 62 HB2 LEU 62 0.195 -7.163 2.235 498 HB3 LEU 62 HB1 LEU 62 0.770 -8.785 2.509 499 HG LEU 62 HG LEU 62 -1.527 -9.621 2.199 500 HD11 LEU 62 HD11 LEU 62 -3.194 -8.101 1.248 501 HD12 LEU 62 HD12 LEU 62 -2.091 -6.745 1.484 502 HD13 LEU 62 HD13 LEU 62 -2.736 -7.615 2.878 503 HD21 LEU 62 HD21 LEU 62 -1.579 -9.243 -0.207 504 HD22 LEU 62 HD22 LEU 62 0.062 -9.558 0.366 505 HD23 LEU 62 HD23 LEU 62 -0.438 -7.911 -0.021 506 H ASN 63 HN ASN 63 1.250 -9.863 4.867 507 HA ASN 63 HA ASN 63 -0.890 -11.778 5.052 508 HB2 ASN 63 HB2 ASN 63 2.080 -12.136 5.426 509 HB3 ASN 63 HB1 ASN 63 0.934 -13.419 5.792 510 HD21 ASN 63 HD21 ASN 63 2.489 -11.609 3.303 511 HD22 ASN 63 HD22 ASN 63 1.919 -12.581 1.986 512 H ILE 64 HN ILE 64 0.096 -9.549 7.171 513 HA ILE 64 HA ILE 64 -0.718 -11.235 9.418 514 HB ILE 64 HB ILE 64 0.107 -9.435 10.919 515 HG12 ILE 64 HG12 ILE 64 1.150 -8.155 8.378 516 HG13 ILE 64 HG11 ILE 64 -0.166 -7.542 9.367 517 HG21 ILE 64 HG21 ILE 64 2.157 -10.477 8.972 518 HG22 ILE 64 HG22 ILE 64 1.578 -11.278 10.435 519 HG23 ILE 64 HG23 ILE 64 2.516 -9.791 10.555 520 HD11 ILE 64 HD11 ILE 64 2.711 -7.799 10.222 521 HD12 ILE 64 HD12 ILE 64 1.392 -7.163 11.207 522 HD13 ILE 64 HD13 ILE 64 1.893 -6.309 9.749 523 H ASP 65 HN ASP 65 -2.126 -9.469 7.170 524 HA ASP 65 HA ASP 65 -3.822 -7.818 8.852 525 HB2 ASP 65 HB2 ASP 65 -3.126 -6.832 6.735 526 HB3 ASP 65 HB1 ASP 65 -3.784 -8.202 5.851 527 H GLY 66 HN GLY 66 -5.817 -8.286 9.402 528 HA2 GLY 66 HA2 GLY 66 -6.721 -10.964 8.682 529 HA3 GLY 66 HA1 GLY 66 -7.182 -10.046 10.131 530 H ARG 67 HN ARG 67 -7.137 -8.584 6.969 531 HA ARG 67 HA ARG 67 -10.072 -8.712 6.902 532 HB2 ARG 67 HB2 ARG 67 -8.264 -6.329 6.421 533 HB3 ARG 67 HB1 ARG 67 -9.974 -6.341 6.005 534 HG2 ARG 67 HG2 ARG 67 -10.653 -6.193 8.172 535 HG3 ARG 67 HG1 ARG 67 -9.299 -7.142 8.764 536 HD2 ARG 67 HD2 ARG 67 -9.159 -4.867 9.587 537 HD3 ARG 67 HD1 ARG 67 -7.827 -5.214 8.495 538 HE ARG 67 HE ARG 67 -9.999 -3.960 7.154 539 HH11 ARG 67 HH11 ARG 67 -7.247 -3.323 9.295 540 HH12 ARG 67 HH12 ARG 67 -7.028 -1.720 8.786 541 HH21 ARG 67 HH21 ARG 67 -9.678 -1.687 6.462 542 HH22 ARG 67 HH22 ARG 67 -8.395 -0.783 7.150 543 H PHE 68 HN PHE 68 -7.073 -8.447 5.111 544 HA PHE 68 HA PHE 68 -8.116 -8.649 2.513 545 HB2 PHE 68 HB2 PHE 68 -5.520 -8.699 3.786 546 HB3 PHE 68 HB1 PHE 68 -5.617 -9.776 2.393 547 HD1 PHE 68 HD1 PHE 68 -6.250 -8.903 0.225 548 HD2 PHE 68 HD2 PHE 68 -5.491 -6.361 3.525 549 HE1 PHE 68 HE1 PHE 68 -5.979 -7.030 -1.301 550 HE2 PHE 68 HE2 PHE 68 -5.224 -4.460 1.995 551 HZ PHE 68 HZ PHE 68 -5.479 -4.810 -0.433 552 H LEU 69 HN LEU 69 -7.500 -10.417 1.019 553 HA LEU 69 HA LEU 69 -7.281 -13.076 2.059 554 HB2 LEU 69 HB2 LEU 69 -9.787 -12.614 2.046 555 HB3 LEU 69 HB1 LEU 69 -9.635 -12.271 0.364 556 HG LEU 69 HG LEU 69 -8.800 -14.564 -0.020 557 HD11 LEU 69 HD11 LEU 69 -9.219 -16.253 1.700 558 HD12 LEU 69 HD12 LEU 69 -9.617 -14.976 2.849 559 HD13 LEU 69 HD13 LEU 69 -7.984 -15.097 2.195 560 HD21 LEU 69 HD21 LEU 69 -11.085 -13.914 -0.427 561 HD22 LEU 69 HD22 LEU 69 -11.493 -14.279 1.248 562 HD23 LEU 69 HD23 LEU 69 -10.988 -15.571 0.159 563 H ALA 70 HN ALA 70 -6.149 -14.263 0.565 564 HA ALA 70 HA ALA 70 -5.761 -13.164 -2.110 565 HB1 ALA 70 HB1 ALA 70 -3.760 -13.946 -0.905 566 HB2 ALA 70 HB2 ALA 70 -4.062 -14.958 -2.319 567 HB3 ALA 70 HB3 ALA 70 -4.493 -15.538 -0.710 568 H LEU 71 HN LEU 71 -7.276 -13.755 -3.538 569 HA LEU 71 HA LEU 71 -9.137 -15.775 -2.988 570 HB2 LEU 71 HB2 LEU 71 -8.656 -14.528 -5.683 571 HB3 LEU 71 HB1 LEU 71 -10.094 -15.371 -5.161 572 HG LEU 71 HG LEU 71 -9.123 -12.656 -4.296 573 HD11 LEU 71 HD11 LEU 71 -11.600 -13.580 -5.702 574 HD12 LEU 71 HD12 LEU 71 -10.226 -12.722 -6.409 575 HD13 LEU 71 HD13 LEU 71 -11.240 -11.929 -5.202 576 HD21 LEU 71 HD21 LEU 71 -10.045 -13.764 -2.320 577 HD22 LEU 71 HD22 LEU 71 -11.512 -14.166 -3.231 578 HD23 LEU 71 HD23 LEU 71 -11.102 -12.479 -2.910 579 H SER 72 HN SER 72 -7.360 -15.929 -6.158 580 HA SER 72 HA SER 72 -7.499 -18.787 -5.650 581 HB2 SER 72 HB2 SER 72 -7.240 -18.944 -8.170 582 HB3 SER 72 HB1 SER 72 -8.748 -18.280 -7.533 583 HG SER 72 HG SER 72 -6.924 -17.136 -9.137 584 H ASP 73 HN ASP 73 -5.112 -16.784 -7.528 585 HA ASP 73 HA ASP 73 -3.116 -18.668 -6.348 586 HB2 ASP 73 HB2 ASP 73 -2.882 -17.407 -9.093 587 HB3 ASP 73 HB1 ASP 73 -1.737 -18.500 -8.351 588 H GLN 74 HN GLN 74 -3.963 -15.486 -6.716 589 HA GLN 74 HA GLN 74 -2.020 -14.301 -5.194 590 HB2 GLN 74 HB2 GLN 74 -0.689 -13.019 -6.989 591 HB3 GLN 74 HB1 GLN 74 -0.218 -14.667 -6.645 592 HG2 GLN 74 HG2 GLN 74 -0.114 -14.130 -9.048 593 HG3 GLN 74 HG1 GLN 74 -1.248 -15.426 -8.698 594 HE21 GLN 74 HE21 GLN 74 -3.372 -15.161 -9.244 595 HE22 GLN 74 HE22 GLN 74 -3.944 -13.778 -10.091 596 H THR 75 HN THR 75 -4.797 -14.172 -6.915 597 HA THR 75 HA THR 75 -4.969 -11.396 -7.270 598 HB THR 75 HB THR 75 -7.468 -12.359 -7.342 599 HG1 THR 75 HG1 THR 75 -7.260 -14.540 -8.202 600 HG21 THR 75 HG21 THR 75 -6.251 -11.307 -9.224 601 HG22 THR 75 HG22 THR 75 -7.112 -12.747 -9.759 602 HG23 THR 75 HG23 THR 75 -5.371 -12.810 -9.486 603 H TRP 76 HN TRP 76 -5.035 -10.156 -5.483 604 HA TRP 76 HA TRP 76 -6.163 -11.324 -3.076 605 HB2 TRP 76 HB2 TRP 76 -4.461 -8.870 -3.531 606 HB3 TRP 76 HB1 TRP 76 -5.226 -9.229 -1.989 607 HD1 TRP 76 HD1 TRP 76 -2.566 -10.706 -4.377 608 HE1 TRP 76 HE1 TRP 76 -0.926 -12.109 -2.986 609 HE3 TRP 76 HE3 TRP 76 -4.894 -10.401 0.159 610 HZ2 TRP 76 HZ2 TRP 76 -0.644 -12.966 -0.282 611 HZ3 TRP 76 HZ3 TRP 76 -3.876 -11.527 2.089 612 HH2 TRP 76 HH2 TRP 76 -1.799 -12.780 1.868 613 H GLY 77 HN GLY 77 -7.565 -10.000 -1.812 614 HA2 GLY 77 HA2 GLY 77 -8.759 -7.699 -2.860 615 HA3 GLY 77 HA1 GLY 77 -9.758 -9.116 -3.185 616 H LEU 78 HN LEU 78 -11.329 -8.472 -1.865 617 HA LEU 78 HA LEU 78 -10.688 -8.178 0.978 618 HB2 LEU 78 HB2 LEU 78 -13.092 -7.210 -0.564 619 HB3 LEU 78 HB1 LEU 78 -12.891 -7.035 1.163 620 HG LEU 78 HG LEU 78 -11.203 -5.727 -0.971 621 HD11 LEU 78 HD11 LEU 78 -13.215 -4.576 0.952 622 HD12 LEU 78 HD12 LEU 78 -13.420 -4.762 -0.791 623 HD13 LEU 78 HD13 LEU 78 -12.204 -3.651 -0.161 624 HD21 LEU 78 HD21 LEU 78 -10.152 -4.502 0.887 625 HD22 LEU 78 HD22 LEU 78 -9.851 -6.234 0.992 626 HD23 LEU 78 HD23 LEU 78 -11.057 -5.484 2.039 627 H ARG 79 HN ARG 79 -11.751 -9.400 2.427 628 HA ARG 79 HA ARG 79 -12.693 -11.895 1.450 629 HB2 ARG 79 HB2 ARG 79 -11.226 -11.574 3.413 630 HB3 ARG 79 HB1 ARG 79 -12.567 -10.811 4.245 631 HG2 ARG 79 HG2 ARG 79 -13.809 -12.815 4.257 632 HG3 ARG 79 HG1 ARG 79 -12.649 -13.607 3.185 633 HD2 ARG 79 HD2 ARG 79 -12.243 -14.338 5.396 634 HD3 ARG 79 HD1 ARG 79 -10.925 -13.306 4.891 635 HE ARG 79 HE ARG 79 -13.087 -12.405 6.687 636 HH11 ARG 79 HH11 ARG 79 -9.750 -12.021 5.494 637 HH12 ARG 79 HH12 ARG 79 -9.253 -11.169 6.860 638 HH21 ARG 79 HH21 ARG 79 -12.379 -11.239 8.533 639 HH22 ARG 79 HH22 ARG 79 -10.781 -10.647 8.591 640 H SER 80 HN SER 80 -14.078 -8.939 2.382 641 HA SER 80 HA SER 80 -16.613 -9.658 3.379 642 HB2 SER 80 HB2 SER 80 -15.864 -7.140 1.923 643 HB3 SER 80 HB1 SER 80 -17.060 -7.345 3.204 644 HG SER 80 HG SER 80 -15.319 -7.875 4.629 645 H TRP 81 HN TRP 81 -15.836 -10.801 0.585 646 HA TRP 81 HA TRP 81 -18.146 -9.745 -0.926 647 HB2 TRP 81 HB2 TRP 81 -15.673 -11.071 -1.991 648 HB3 TRP 81 HB1 TRP 81 -17.043 -10.543 -2.948 649 HD1 TRP 81 HD1 TRP 81 -17.264 -7.625 -1.440 650 HE1 TRP 81 HE1 TRP 81 -15.551 -5.847 -2.165 651 HE3 TRP 81 HE3 TRP 81 -13.717 -10.715 -3.300 652 HZ2 TRP 81 HZ2 TRP 81 -13.036 -5.759 -3.423 653 HZ3 TRP 81 HZ3 TRP 81 -11.660 -9.721 -4.286 654 HH2 TRP 81 HH2 TRP 81 -11.329 -7.295 -4.324 655 H TYR 82 HN TYR 82 -16.611 -12.648 0.306 656 HA TYR 82 HA TYR 82 -18.686 -14.230 -1.044 657 HB2 TYR 82 HB2 TYR 82 -15.846 -15.213 -0.625 658 HB3 TYR 82 HB1 TYR 82 -17.103 -15.955 -1.589 659 HD1 TYR 82 HD1 TYR 82 -17.875 -14.710 -3.701 660 HD2 TYR 82 HD2 TYR 82 -14.275 -13.705 -1.656 661 HE1 TYR 82 HE1 TYR 82 -17.030 -13.555 -5.698 662 HE2 TYR 82 HE2 TYR 82 -13.437 -12.597 -3.566 663 HH TYR 82 HH TYR 82 -15.456 -11.695 -6.102 Start of MODEL 7 1 H1 GLY 2 HT1 GLY 2 -11.991 4.670 -3.767 2 H2 GLY 2 HT2 GLY 2 -12.914 4.435 -2.351 3 H3 GLY 2 HT3 GLY 2 -11.573 3.472 -2.653 4 HA2 GLY 2 HA1 GLY 2 -11.441 6.379 -2.196 5 HA3 GLY 2 HA2 GLY 2 -11.064 5.140 -1.003 6 H ILE 3 HN ILE 3 -9.097 6.485 -1.130 7 HA ILE 3 HA ILE 3 -6.951 6.599 -1.378 8 HB ILE 3 HB ILE 3 -7.300 3.914 -1.723 9 HG12 ILE 3 HG12 ILE 3 -4.904 3.712 -1.324 10 HG13 ILE 3 HG11 ILE 3 -4.686 5.419 -1.719 11 HG21 ILE 3 HG21 ILE 3 -5.600 4.790 -4.056 12 HG22 ILE 3 HG22 ILE 3 -7.163 3.975 -4.152 13 HG23 ILE 3 HG23 ILE 3 -5.769 3.135 -3.472 14 HD11 ILE 3 HD11 ILE 3 -6.278 4.306 0.601 15 HD12 ILE 3 HD12 ILE 3 -6.059 6.018 0.249 16 HD13 ILE 3 HD13 ILE 3 -4.680 5.030 0.691 17 H LYS 4 HN LYS 4 -8.543 6.213 -4.454 18 HA LYS 4 HA LYS 4 -6.387 7.377 -5.977 19 HB2 LYS 4 HB2 LYS 4 -9.255 6.758 -6.681 20 HB3 LYS 4 HB1 LYS 4 -8.091 7.400 -7.822 21 HG2 LYS 4 HG2 LYS 4 -6.723 5.408 -7.585 22 HG3 LYS 4 HG1 LYS 4 -7.846 4.772 -6.377 23 HD2 LYS 4 HD2 LYS 4 -9.642 4.765 -8.056 24 HD3 LYS 4 HD1 LYS 4 -8.527 5.433 -9.233 25 HE2 LYS 4 HE2 LYS 4 -8.037 2.805 -7.855 26 HE3 LYS 4 HE1 LYS 4 -8.907 2.940 -9.379 27 HZ1 LYS 4 HZ1 LYS 4 -6.985 3.883 -10.397 28 HZ2 LYS 4 HZ2 LYS 4 -6.534 2.437 -9.691 29 HZ3 LYS 4 HZ3 LYS 4 -6.110 3.900 -8.978 30 H GLN 5 HN GLN 5 -7.589 8.889 -3.774 31 HA GLN 5 HA GLN 5 -8.170 11.365 -5.212 32 HB2 GLN 5 HB2 GLN 5 -9.834 11.923 -3.465 33 HB3 GLN 5 HB1 GLN 5 -10.295 10.555 -4.465 34 HG2 GLN 5 HG2 GLN 5 -9.533 9.037 -2.672 35 HG3 GLN 5 HG1 GLN 5 -9.194 10.446 -1.668 36 HE21 GLN 5 HE21 GLN 5 -11.662 8.536 -3.163 37 HE22 GLN 5 HE22 GLN 5 -12.971 9.154 -2.230 38 H TYR 6 HN TYR 6 -5.982 9.892 -3.428 39 HA TYR 6 HA TYR 6 -5.498 12.188 -1.632 40 HB2 TYR 6 HB2 TYR 6 -4.448 9.392 -1.502 41 HB3 TYR 6 HB1 TYR 6 -3.954 10.683 -0.424 42 HD1 TYR 6 HD1 TYR 6 -6.197 11.963 0.567 43 HD2 TYR 6 HD2 TYR 6 -5.856 7.935 -0.635 44 HE1 TYR 6 HE1 TYR 6 -8.088 11.399 2.009 45 HE2 TYR 6 HE2 TYR 6 -7.754 7.329 0.797 46 HH TYR 6 HH TYR 6 -9.743 9.736 2.240 47 H SER 7 HN SER 7 -3.459 12.967 -1.378 48 HA SER 7 HA SER 7 -1.928 12.982 -3.844 49 HB2 SER 7 HB2 SER 7 -1.775 14.650 -1.342 50 HB3 SER 7 HB1 SER 7 -0.921 14.984 -2.855 51 HG SER 7 HG SER 7 -3.615 14.575 -3.117 52 H GLN 8 HN GLN 8 0.436 13.275 -3.480 53 HA GLN 8 HA GLN 8 1.465 10.769 -3.075 54 HB2 GLN 8 HB2 GLN 8 2.375 12.423 -4.551 55 HB3 GLN 8 HB1 GLN 8 2.843 13.423 -3.185 56 HG2 GLN 8 HG2 GLN 8 4.296 11.578 -2.433 57 HG3 GLN 8 HG1 GLN 8 3.830 10.741 -3.903 58 HE21 GLN 8 HE21 GLN 8 5.471 13.650 -2.784 59 HE22 GLN 8 HE22 GLN 8 6.387 13.885 -4.222 60 H GLU 9 HN GLU 9 1.938 13.593 -0.907 61 HA GLU 9 HA GLU 9 3.605 12.129 0.890 62 HB2 GLU 9 HB2 GLU 9 2.197 14.779 1.292 63 HB3 GLU 9 HB1 GLU 9 3.289 14.062 2.460 64 HG2 GLU 9 HG2 GLU 9 4.513 15.705 1.243 65 HG3 GLU 9 HG1 GLU 9 4.983 14.064 0.765 66 H GLU 10 HN GLU 10 0.344 12.987 0.754 67 HA GLU 10 HA GLU 10 -0.761 12.274 3.225 68 HB2 GLU 10 HB2 GLU 10 -1.958 13.275 1.299 69 HB3 GLU 10 HB1 GLU 10 -1.820 11.752 0.444 70 HG2 GLU 10 HG2 GLU 10 -4.011 11.718 1.189 71 HG3 GLU 10 HG1 GLU 10 -3.193 10.819 2.464 72 H LEU 11 HN LEU 11 -0.227 10.273 0.396 73 HA LEU 11 HA LEU 11 -1.144 7.840 1.503 74 HB2 LEU 11 HB2 LEU 11 0.445 8.469 -0.940 75 HB3 LEU 11 HB1 LEU 11 -0.192 6.882 -0.557 76 HG LEU 11 HG LEU 11 -1.985 9.279 -0.773 77 HD11 LEU 11 HD11 LEU 11 -1.212 7.346 -2.946 78 HD12 LEU 11 HD12 LEU 11 -0.700 9.025 -2.833 79 HD13 LEU 11 HD13 LEU 11 -2.411 8.642 -3.065 80 HD21 LEU 11 HD21 LEU 11 -3.653 7.524 -1.226 81 HD22 LEU 11 HD22 LEU 11 -2.901 7.337 0.353 82 HD23 LEU 11 HD23 LEU 11 -2.409 6.301 -0.986 83 H LYS 12 HN LYS 12 2.140 9.167 1.147 84 HA LYS 12 HA LYS 12 3.429 6.657 1.471 85 HB2 LYS 12 HB2 LYS 12 5.526 7.842 1.762 86 HB3 LYS 12 HB1 LYS 12 4.599 8.560 0.452 87 HG2 LYS 12 HG2 LYS 12 3.961 10.405 1.858 88 HG3 LYS 12 HG1 LYS 12 4.718 9.649 3.252 89 HD2 LYS 12 HD2 LYS 12 6.166 11.387 2.386 90 HD3 LYS 12 HD1 LYS 12 6.905 9.809 2.140 91 HE2 LYS 12 HE2 LYS 12 6.196 9.837 -0.189 92 HE3 LYS 12 HE1 LYS 12 5.419 11.402 0.053 93 HZ1 LYS 12 HZ1 LYS 12 7.588 11.696 -0.929 94 HZ2 LYS 12 HZ2 LYS 12 8.313 10.811 0.280 95 HZ3 LYS 12 HZ3 LYS 12 7.624 12.297 0.643 96 H GLU 13 HN GLU 13 2.278 8.937 3.803 97 HA GLU 13 HA GLU 13 3.624 7.446 5.873 98 HB2 GLU 13 HB2 GLU 13 2.678 9.341 7.373 99 HB3 GLU 13 HB1 GLU 13 4.047 9.672 6.316 100 HG2 GLU 13 HG2 GLU 13 2.297 10.573 4.693 101 HG3 GLU 13 HG1 GLU 13 1.185 10.506 6.064 102 H MET 14 HN MET 14 1.136 6.745 4.294 103 HA MET 14 HA MET 14 -0.458 5.893 6.600 104 HB2 MET 14 HB2 MET 14 -1.115 5.957 3.645 105 HB3 MET 14 HB1 MET 14 -2.139 5.206 4.858 106 HG2 MET 14 HG2 MET 14 -2.437 7.378 5.935 107 HG3 MET 14 HG1 MET 14 -1.407 8.115 4.710 108 HE1 MET 14 HE1 MET 14 -3.345 9.859 4.306 109 HE2 MET 14 HE2 MET 14 -4.400 9.043 5.456 110 HE3 MET 14 HE3 MET 14 -4.989 9.424 3.838 111 H ALA 15 HN ALA 15 -0.856 3.690 6.839 112 HA ALA 15 HA ALA 15 1.168 1.926 5.958 113 HB1 ALA 15 HB1 ALA 15 -1.543 1.342 7.165 114 HB2 ALA 15 HB2 ALA 15 -0.049 1.591 8.064 115 HB3 ALA 15 HB3 ALA 15 -0.226 0.182 7.023 116 H LEU 16 HN LEU 16 1.200 0.616 4.216 117 HA LEU 16 HA LEU 16 -0.657 1.374 2.249 118 HB2 LEU 16 HB2 LEU 16 0.573 0.090 0.556 119 HB3 LEU 16 HB1 LEU 16 1.545 1.259 1.411 120 HG LEU 16 HG LEU 16 1.634 -1.722 1.909 121 HD11 LEU 16 HD11 LEU 16 2.307 -1.214 -0.362 122 HD12 LEU 16 HD12 LEU 16 3.729 -1.623 0.602 123 HD13 LEU 16 HD13 LEU 16 3.379 0.060 0.216 124 HD21 LEU 16 HD21 LEU 16 3.805 -1.198 2.965 125 HD22 LEU 16 HD22 LEU 16 2.478 -0.417 3.808 126 HD23 LEU 16 HD23 LEU 16 3.505 0.523 2.721 127 H VAL 17 HN VAL 17 -0.820 -1.106 4.414 128 HA VAL 17 HA VAL 17 -2.440 -2.825 2.837 129 HB VAL 17 HB VAL 17 -1.460 -3.570 5.011 130 HG11 VAL 17 HG11 VAL 17 -2.516 -2.951 7.142 131 HG12 VAL 17 HG12 VAL 17 -3.484 -1.750 6.291 132 HG13 VAL 17 HG13 VAL 17 -1.731 -1.584 6.351 133 HG21 VAL 17 HG21 VAL 17 -4.467 -3.755 4.893 134 HG22 VAL 17 HG22 VAL 17 -3.421 -4.799 5.854 135 HG23 VAL 17 HG23 VAL 17 -3.316 -4.826 4.092 136 H GLU 18 HN GLU 18 -3.053 0.037 4.751 137 HA GLU 18 HA GLU 18 -5.876 0.058 4.524 138 HB2 GLU 18 HB2 GLU 18 -3.862 2.270 5.060 139 HB3 GLU 18 HB1 GLU 18 -5.604 2.475 5.200 140 HG2 GLU 18 HG2 GLU 18 -5.706 0.865 6.989 141 HG3 GLU 18 HG1 GLU 18 -4.007 0.468 6.779 142 H ILE 19 HN ILE 19 -3.224 1.461 2.772 143 HA ILE 19 HA ILE 19 -4.593 2.872 0.785 144 HB ILE 19 HB ILE 19 -1.912 1.457 0.629 145 HG12 ILE 19 HG12 ILE 19 -2.612 4.351 1.181 146 HG13 ILE 19 HG11 ILE 19 -2.053 3.183 2.371 147 HG21 ILE 19 HG21 ILE 19 -2.805 1.881 -1.635 148 HG22 ILE 19 HG22 ILE 19 -1.359 2.818 -1.281 149 HG23 ILE 19 HG23 ILE 19 -2.931 3.603 -1.244 150 HD11 ILE 19 HD11 ILE 19 0.095 3.043 1.200 151 HD12 ILE 19 HD12 ILE 19 -0.279 4.695 1.696 152 HD13 ILE 19 HD13 ILE 19 -0.495 4.206 0.014 153 H ALA 20 HN ALA 20 -3.377 -0.472 0.739 154 HA ALA 20 HA ALA 20 -4.381 -1.164 -1.768 155 HB1 ALA 20 HB1 ALA 20 -4.027 -3.479 -1.085 156 HB2 ALA 20 HB2 ALA 20 -3.880 -2.971 0.597 157 HB3 ALA 20 HB3 ALA 20 -2.672 -2.467 -0.584 158 H HIS 21 HN HIS 21 -5.815 -1.514 1.453 159 HA HIS 21 HA HIS 21 -8.160 -2.850 0.809 160 HB2 HIS 21 HB2 HIS 21 -7.609 -2.448 3.100 161 HB3 HIS 21 HB1 HIS 21 -7.576 -0.705 2.784 162 HD1 HIS 21 HD1 HIS 21 -9.813 0.570 3.143 163 HD2 HIS 21 HD2 HIS 21 -10.279 -3.563 3.198 164 HE1 HIS 21 HE1 HIS 21 -12.130 0.190 3.767 165 HE2 HIS 21 HE2 HIS 21 -12.478 -2.175 3.234 166 H GLU 22 HN GLU 22 -7.611 0.649 0.843 167 HA GLU 22 HA GLU 22 -10.173 1.416 -0.007 168 HB2 GLU 22 HB2 GLU 22 -7.508 2.726 -0.151 169 HB3 GLU 22 HB1 GLU 22 -8.993 3.546 -0.636 170 HG2 GLU 22 HG2 GLU 22 -8.379 2.443 2.101 171 HG3 GLU 22 HG1 GLU 22 -8.386 4.150 1.644 172 H LEU 23 HN LEU 23 -7.254 0.671 -1.723 173 HA LEU 23 HA LEU 23 -8.012 1.418 -4.319 174 HB2 LEU 23 HB2 LEU 23 -5.731 0.945 -3.545 175 HB3 LEU 23 HB1 LEU 23 -6.158 -0.727 -3.316 176 HG LEU 23 HG LEU 23 -6.334 -1.036 -5.749 177 HD11 LEU 23 HD11 LEU 23 -5.528 1.878 -5.876 178 HD12 LEU 23 HD12 LEU 23 -7.110 1.236 -6.325 179 HD13 LEU 23 HD13 LEU 23 -5.679 0.777 -7.245 180 HD21 LEU 23 HD21 LEU 23 -4.244 -1.347 -4.588 181 HD22 LEU 23 HD22 LEU 23 -3.866 0.359 -4.796 182 HD23 LEU 23 HD23 LEU 23 -3.961 -0.704 -6.215 183 H PHE 24 HN PHE 24 -8.229 -1.602 -2.547 184 HA PHE 24 HA PHE 24 -9.427 -3.055 -4.621 185 HB2 PHE 24 HB2 PHE 24 -9.005 -3.587 -1.725 186 HB3 PHE 24 HB1 PHE 24 -10.071 -4.644 -2.647 187 HD1 PHE 24 HD2 PHE 24 -6.691 -3.145 -2.762 188 HD2 PHE 24 HD1 PHE 24 -9.189 -6.373 -3.819 189 HE1 PHE 24 HE2 PHE 24 -4.753 -4.318 -3.700 190 HE2 PHE 24 HE1 PHE 24 -7.275 -7.567 -4.767 191 HZ PHE 24 HZ PHE 24 -5.058 -6.554 -4.713 192 H GLU 25 HN GLU 25 -10.919 -1.404 -1.843 193 HA GLU 25 HA GLU 25 -13.458 -2.202 -2.812 194 HB2 GLU 25 HB2 GLU 25 -12.694 -0.311 -0.625 195 HB3 GLU 25 HB1 GLU 25 -14.357 -0.365 -1.201 196 HG2 GLU 25 HG2 GLU 25 -14.393 -2.798 -0.755 197 HG3 GLU 25 HG1 GLU 25 -12.767 -2.656 -0.098 198 H GLU 26 HN GLU 26 -11.424 0.363 -3.676 199 HA GLU 26 HA GLU 26 -13.385 1.939 -5.000 200 HB2 GLU 26 HB2 GLU 26 -11.043 2.678 -4.515 201 HB3 GLU 26 HB1 GLU 26 -10.469 1.537 -5.718 202 HG2 GLU 26 HG2 GLU 26 -10.487 3.753 -6.611 203 HG3 GLU 26 HG1 GLU 26 -11.693 2.778 -7.453 204 H HIS 27 HN HIS 27 -11.446 -0.852 -5.870 205 HA HIS 27 HA HIS 27 -12.347 -0.985 -8.593 206 HB2 HIS 27 HB2 HIS 27 -10.751 -2.818 -6.848 207 HB3 HIS 27 HB1 HIS 27 -11.419 -3.424 -8.350 208 HD1 HIS 27 HD1 HIS 27 -10.068 -3.071 -10.355 209 HD2 HIS 27 HD2 HIS 27 -8.861 -0.582 -7.272 210 HE1 HIS 27 HE1 HIS 27 -7.934 -2.020 -11.142 211 HE2 HIS 27 HE2 HIS 27 -7.056 -0.866 -9.150 212 H LYS 28 HN LYS 28 -13.163 -2.790 -5.628 213 HA LYS 28 HA LYS 28 -14.845 -4.196 -5.053 214 HB2 LYS 28 HB2 LYS 28 -16.343 -2.868 -7.349 215 HB3 LYS 28 HB1 LYS 28 -17.083 -3.896 -6.121 216 HG2 LYS 28 HG2 LYS 28 -16.657 -2.331 -4.409 217 HG3 LYS 28 HG1 LYS 28 -15.560 -1.407 -5.427 218 HD2 LYS 28 HD2 LYS 28 -17.518 -0.837 -6.877 219 HD3 LYS 28 HD1 LYS 28 -18.556 -1.630 -5.692 220 HE2 LYS 28 HE2 LYS 28 -17.965 -0.098 -3.989 221 HE3 LYS 28 HE1 LYS 28 -16.648 0.576 -4.944 222 HZ1 LYS 28 HZ1 LYS 28 -18.284 1.491 -6.464 223 HZ2 LYS 28 HZ2 LYS 28 -18.538 2.033 -4.889 224 HZ3 LYS 28 HZ3 LYS 28 -19.549 0.855 -5.529 225 H LYS 29 HN LYS 29 -12.826 -4.876 -6.948 226 HA LYS 29 HA LYS 29 -13.786 -7.397 -7.887 227 HB2 LYS 29 HB2 LYS 29 -12.635 -5.280 -9.738 228 HB3 LYS 29 HB1 LYS 29 -12.589 -6.990 -10.117 229 HG2 LYS 29 HG2 LYS 29 -15.064 -5.308 -9.758 230 HG3 LYS 29 HG1 LYS 29 -14.397 -5.881 -11.290 231 HD2 LYS 29 HD2 LYS 29 -14.693 -8.228 -10.440 232 HD3 LYS 29 HD1 LYS 29 -15.538 -7.552 -9.052 233 HE2 LYS 29 HE2 LYS 29 -17.136 -8.288 -10.700 234 HE3 LYS 29 HE1 LYS 29 -17.184 -6.531 -10.564 235 HZ1 LYS 29 HZ1 LYS 29 -17.229 -7.269 -12.877 236 HZ2 LYS 29 HZ2 LYS 29 -15.737 -8.029 -12.688 237 HZ3 LYS 29 HZ3 LYS 29 -15.853 -6.369 -12.556 238 HA PRO 30 HA PRO 30 -9.810 -8.258 -6.248 239 HB2 PRO 30 HB2 PRO 30 -9.142 -10.558 -7.544 240 HB3 PRO 30 HB1 PRO 30 -10.343 -10.471 -6.263 241 HG2 PRO 30 HG2 PRO 30 -10.760 -10.547 -9.216 242 HG3 PRO 30 HG1 PRO 30 -11.648 -11.389 -7.939 243 HD2 PRO 30 HD2 PRO 30 -12.584 -9.133 -9.123 244 HD3 PRO 30 HD1 PRO 30 -12.935 -9.548 -7.433 245 H VAL 31 HN VAL 31 -7.606 -8.121 -6.631 246 HA VAL 31 HA VAL 31 -6.798 -7.384 -9.343 247 HB VAL 31 HB VAL 31 -5.983 -5.847 -6.851 248 HG11 VAL 31 HG11 VAL 31 -5.084 -4.194 -8.412 249 HG12 VAL 31 HG12 VAL 31 -5.534 -5.237 -9.759 250 HG13 VAL 31 HG13 VAL 31 -4.324 -5.775 -8.594 251 HG21 VAL 31 HG21 VAL 31 -7.962 -4.985 -8.957 252 HG22 VAL 31 HG22 VAL 31 -7.374 -3.984 -7.630 253 HG23 VAL 31 HG23 VAL 31 -8.349 -5.415 -7.293 254 HA PRO 32 HA PRO 32 -3.427 -10.128 -8.034 255 HB2 PRO 32 HB2 PRO 32 -2.049 -8.999 -10.404 256 HB3 PRO 32 HB1 PRO 32 -2.411 -10.686 -10.031 257 HG2 PRO 32 HG2 PRO 32 -3.760 -9.413 -11.940 258 HG3 PRO 32 HG1 PRO 32 -4.575 -10.544 -10.844 259 HD2 PRO 32 HD2 PRO 32 -4.524 -7.546 -10.764 260 HD3 PRO 32 HD1 PRO 32 -5.890 -8.667 -10.554 261 H PHE 33 HN PHE 33 -1.346 -9.840 -7.195 262 HA PHE 33 HA PHE 33 -0.879 -7.580 -5.720 263 HB2 PHE 33 HB2 PHE 33 0.084 -9.814 -5.264 264 HB3 PHE 33 HB1 PHE 33 1.199 -9.584 -6.615 265 HD1 PHE 33 HD2 PHE 33 3.101 -8.065 -6.403 266 HD2 PHE 33 HD1 PHE 33 0.378 -8.648 -3.182 267 HE1 PHE 33 HE2 PHE 33 4.702 -7.009 -4.870 268 HE2 PHE 33 HE1 PHE 33 1.975 -7.597 -1.638 269 HZ PHE 33 HZ PHE 33 4.141 -6.782 -2.466 270 H GLN 34 HN GLN 34 0.638 -8.455 -8.782 271 HA GLN 34 HA GLN 34 2.452 -6.307 -8.813 272 HB2 GLN 34 HB2 GLN 34 2.171 -8.579 -10.253 273 HB3 GLN 34 HB1 GLN 34 1.551 -7.419 -11.414 274 HG2 GLN 34 HG2 GLN 34 4.239 -7.160 -10.078 275 HG3 GLN 34 HG1 GLN 34 3.991 -7.975 -11.614 276 HE21 GLN 34 HE21 GLN 34 5.525 -5.587 -10.828 277 HE22 GLN 34 HE22 GLN 34 4.985 -4.348 -11.915 278 H GLU 35 HN GLU 35 -0.927 -6.484 -9.842 279 HA GLU 35 HA GLU 35 -0.695 -4.078 -11.382 280 HB2 GLU 35 HB2 GLU 35 -3.109 -5.737 -10.675 281 HB3 GLU 35 HB1 GLU 35 -3.163 -4.288 -11.672 282 HG2 GLU 35 HG2 GLU 35 -1.573 -5.382 -13.241 283 HG3 GLU 35 HG1 GLU 35 -1.718 -6.850 -12.279 284 H LEU 36 HN LEU 36 -1.959 -5.023 -8.238 285 HA LEU 36 HA LEU 36 -3.070 -2.495 -7.604 286 HB2 LEU 36 HB2 LEU 36 -3.179 -3.284 -5.292 287 HB3 LEU 36 HB1 LEU 36 -3.659 -4.577 -6.358 288 HG LEU 36 HG LEU 36 -1.154 -5.354 -6.032 289 HD11 LEU 36 HD11 LEU 36 -1.568 -3.791 -3.498 290 HD12 LEU 36 HD12 LEU 36 -0.404 -3.436 -4.773 291 HD13 LEU 36 HD13 LEU 36 -0.252 -4.923 -3.839 292 HD21 LEU 36 HD21 LEU 36 -3.263 -5.724 -3.918 293 HD22 LEU 36 HD22 LEU 36 -1.825 -6.713 -4.097 294 HD23 LEU 36 HD23 LEU 36 -3.044 -6.698 -5.375 295 H LEU 37 HN LEU 37 0.043 -3.910 -7.343 296 HA LEU 37 HA LEU 37 1.424 -2.129 -5.732 297 HB2 LEU 37 HB2 LEU 37 2.130 -4.357 -6.462 298 HB3 LEU 37 HB1 LEU 37 2.332 -3.752 -8.085 299 HG LEU 37 HG LEU 37 4.142 -2.290 -7.278 300 HD11 LEU 37 HD11 LEU 37 3.758 -3.798 -4.688 301 HD12 LEU 37 HD12 LEU 37 3.380 -2.095 -4.948 302 HD13 LEU 37 HD13 LEU 37 5.047 -2.648 -5.056 303 HD21 LEU 37 HD21 LEU 37 4.566 -4.485 -8.256 304 HD22 LEU 37 HD22 LEU 37 4.427 -5.227 -6.662 305 HD23 LEU 37 HD23 LEU 37 5.744 -4.107 -7.003 306 H ASN 38 HN ASN 38 1.021 -2.251 -9.234 307 HA ASN 38 HA ASN 38 2.518 0.040 -9.842 308 HB2 ASN 38 HB2 ASN 38 0.397 -1.454 -11.355 309 HB3 ASN 38 HB1 ASN 38 1.095 0.025 -12.009 310 HD21 ASN 38 HD21 ASN 38 1.231 -2.769 -12.940 311 HD22 ASN 38 HD22 ASN 38 2.903 -3.151 -13.030 312 H GLU 39 HN GLU 39 -0.922 -0.368 -9.144 313 HA GLU 39 HA GLU 39 -1.596 2.314 -9.705 314 HB2 GLU 39 HB2 GLU 39 -2.980 0.353 -7.884 315 HB3 GLU 39 HB1 GLU 39 -3.636 1.914 -8.345 316 HG2 GLU 39 HG2 GLU 39 -3.518 1.146 -10.726 317 HG3 GLU 39 HG1 GLU 39 -3.105 -0.452 -10.108 318 H ILE 40 HN ILE 40 -0.627 0.695 -6.722 319 HA ILE 40 HA ILE 40 -0.936 2.855 -4.982 320 HB ILE 40 HB ILE 40 1.141 0.634 -4.874 321 HG12 ILE 40 HG12 ILE 40 -1.483 0.981 -3.395 322 HG13 ILE 40 HG11 ILE 40 -1.202 -0.124 -4.732 323 HG21 ILE 40 HG21 ILE 40 0.390 2.611 -2.709 324 HG22 ILE 40 HG22 ILE 40 1.934 2.530 -3.557 325 HG23 ILE 40 HG23 ILE 40 1.443 1.212 -2.494 326 HD11 ILE 40 HD11 ILE 40 0.118 -0.251 -2.027 327 HD12 ILE 40 HD12 ILE 40 0.399 -1.367 -3.363 328 HD13 ILE 40 HD13 ILE 40 -1.189 -1.287 -2.598 329 H ALA 41 HN ALA 41 1.906 1.899 -6.866 330 HA ALA 41 HA ALA 41 3.527 4.057 -6.101 331 HB1 ALA 41 HB1 ALA 41 4.361 1.994 -7.143 332 HB2 ALA 41 HB2 ALA 41 4.988 3.477 -7.841 333 HB3 ALA 41 HB3 ALA 41 3.734 2.559 -8.702 334 H SER 42 HN SER 42 1.046 3.844 -8.487 335 HA SER 42 HA SER 42 1.913 6.132 -9.863 336 HB2 SER 42 HB2 SER 42 -0.834 4.863 -9.845 337 HB3 SER 42 HB1 SER 42 -0.283 6.076 -10.999 338 HG SER 42 HG SER 42 1.023 3.582 -10.609 339 H LEU 43 HN LEU 43 -0.726 5.625 -7.485 340 HA LEU 43 HA LEU 43 -1.361 8.413 -7.324 341 HB2 LEU 43 HB2 LEU 43 -2.041 6.105 -5.496 342 HB3 LEU 43 HB1 LEU 43 -2.486 7.745 -5.107 343 HG LEU 43 HG LEU 43 -4.392 6.651 -5.956 344 HD11 LEU 43 HD11 LEU 43 -5.008 7.994 -7.884 345 HD12 LEU 43 HD12 LEU 43 -3.324 8.454 -8.103 346 HD13 LEU 43 HD13 LEU 43 -4.186 8.940 -6.643 347 HD21 LEU 43 HD21 LEU 43 -3.340 4.808 -7.146 348 HD22 LEU 43 HD22 LEU 43 -2.808 5.914 -8.414 349 HD23 LEU 43 HD23 LEU 43 -4.531 5.621 -8.159 350 H LEU 44 HN LEU 44 0.452 6.219 -5.274 351 HA LEU 44 HA LEU 44 1.416 8.364 -3.602 352 HB2 LEU 44 HB2 LEU 44 0.725 6.096 -2.738 353 HB3 LEU 44 HB1 LEU 44 1.981 5.372 -3.695 354 HG LEU 44 HG LEU 44 2.542 7.253 -1.391 355 HD11 LEU 44 HD11 LEU 44 2.969 5.195 -0.098 356 HD12 LEU 44 HD12 LEU 44 2.410 4.234 -1.467 357 HD13 LEU 44 HD13 LEU 44 1.284 5.287 -0.611 358 HD21 LEU 44 HD21 LEU 44 4.363 6.940 -2.952 359 HD22 LEU 44 HD22 LEU 44 4.192 5.201 -2.836 360 HD23 LEU 44 HD23 LEU 44 4.724 6.131 -1.424 361 H GLY 45 HN GLY 45 2.668 9.587 -4.847 362 HA2 GLY 45 HA2 GLY 45 4.117 8.868 -7.125 363 HA3 GLY 45 HA1 GLY 45 4.378 10.330 -6.207 364 H VAL 46 HN VAL 46 5.333 7.018 -6.623 365 HA VAL 46 HA VAL 46 8.061 7.659 -5.750 366 HB VAL 46 HB VAL 46 8.213 5.392 -4.727 367 HG11 VAL 46 HG11 VAL 46 8.077 7.290 -3.272 368 HG12 VAL 46 HG12 VAL 46 7.095 5.990 -2.591 369 HG13 VAL 46 HG13 VAL 46 6.327 7.340 -3.429 370 HG21 VAL 46 HG21 VAL 46 5.208 5.460 -5.018 371 HG22 VAL 46 HG22 VAL 46 6.067 4.295 -4.013 372 HG23 VAL 46 HG23 VAL 46 6.313 4.321 -5.763 373 H LYS 47 HN LYS 47 9.606 6.076 -6.546 374 HA LYS 47 HA LYS 47 8.676 4.858 -9.009 375 HB2 LYS 47 HB2 LYS 47 11.029 4.254 -9.443 376 HB3 LYS 47 HB1 LYS 47 10.877 5.967 -9.114 377 HG2 LYS 47 HG2 LYS 47 11.811 5.678 -6.919 378 HG3 LYS 47 HG1 LYS 47 11.803 3.921 -7.108 379 HD2 LYS 47 HD2 LYS 47 13.367 4.097 -8.966 380 HD3 LYS 47 HD1 LYS 47 13.356 5.851 -8.830 381 HE2 LYS 47 HE2 LYS 47 14.394 5.738 -6.675 382 HE3 LYS 47 HE1 LYS 47 14.251 3.982 -6.645 383 HZ1 LYS 47 HZ1 LYS 47 15.905 5.552 -8.555 384 HZ2 LYS 47 HZ2 LYS 47 15.715 3.886 -8.585 385 HZ3 LYS 47 HZ3 LYS 47 16.492 4.622 -7.276 386 H LYS 48 HN LYS 48 9.173 2.521 -9.352 387 HA LYS 48 HA LYS 48 8.004 1.292 -7.123 388 HB2 LYS 48 HB2 LYS 48 7.289 0.725 -9.402 389 HB3 LYS 48 HB1 LYS 48 8.842 -0.045 -9.684 390 HG2 LYS 48 HG2 LYS 48 8.301 -1.894 -8.481 391 HG3 LYS 48 HG1 LYS 48 7.319 -0.992 -7.337 392 HD2 LYS 48 HD2 LYS 48 5.861 -2.446 -8.546 393 HD3 LYS 48 HD1 LYS 48 5.549 -0.815 -9.105 394 HE2 LYS 48 HE2 LYS 48 7.222 -2.879 -10.552 395 HE3 LYS 48 HE1 LYS 48 5.530 -2.516 -10.876 396 HZ1 LYS 48 HZ1 LYS 48 6.920 -1.432 -12.447 397 HZ2 LYS 48 HZ2 LYS 48 7.836 -0.693 -11.266 398 HZ3 LYS 48 HZ3 LYS 48 6.209 -0.241 -11.487 399 H GLU 49 HN GLU 49 11.255 1.503 -8.128 400 HA GLU 49 HA GLU 49 12.403 -0.620 -6.696 401 HB2 GLU 49 HB2 GLU 49 13.403 2.171 -7.091 402 HB3 GLU 49 HB1 GLU 49 14.355 0.912 -6.324 403 HG2 GLU 49 HG2 GLU 49 14.308 -0.373 -8.359 404 HG3 GLU 49 HG1 GLU 49 13.293 0.856 -9.125 405 H GLU 50 HN GLU 50 11.693 2.684 -5.475 406 HA GLU 50 HA GLU 50 12.565 2.074 -2.837 407 HB2 GLU 50 HB2 GLU 50 11.605 4.296 -2.225 408 HB3 GLU 50 HB1 GLU 50 12.611 4.394 -3.659 409 HG2 GLU 50 HG2 GLU 50 10.499 4.276 -5.013 410 HG3 GLU 50 HG1 GLU 50 9.619 4.431 -3.499 411 H LEU 51 HN LEU 51 9.443 2.156 -4.425 412 HA LEU 51 HA LEU 51 7.930 1.339 -2.184 413 HB2 LEU 51 HB2 LEU 51 6.865 2.319 -4.160 414 HB3 LEU 51 HB1 LEU 51 7.437 0.992 -5.136 415 HG LEU 51 HG LEU 51 5.967 -0.543 -3.831 416 HD11 LEU 51 HD11 LEU 51 5.701 0.685 -1.814 417 HD12 LEU 51 HD12 LEU 51 4.118 0.440 -2.557 418 HD13 LEU 51 HD13 LEU 51 4.912 2.012 -2.666 419 HD21 LEU 51 HD21 LEU 51 5.301 0.315 -6.004 420 HD22 LEU 51 HD22 LEU 51 4.588 1.731 -5.210 421 HD23 LEU 51 HD23 LEU 51 3.912 0.130 -4.932 422 H GLY 52 HN GLY 52 10.283 -0.177 -4.000 423 HA2 GLY 52 HA2 GLY 52 9.353 -2.883 -4.005 424 HA3 GLY 52 HA1 GLY 52 10.948 -2.299 -4.459 425 H ASP 53 HN ASP 53 11.682 -0.997 -2.151 426 HA ASP 53 HA ASP 53 12.489 -3.072 -0.374 427 HB2 ASP 53 HB2 ASP 53 12.027 -0.175 0.462 428 HB3 ASP 53 HB1 ASP 53 13.183 -1.301 1.145 429 H ARG 54 HN ARG 54 9.994 -0.702 -0.417 430 HA ARG 54 HA ARG 54 8.557 -1.464 1.867 431 HB2 ARG 54 HB2 ARG 54 8.445 0.740 0.841 432 HB3 ARG 54 HB1 ARG 54 7.774 0.044 -0.616 433 HG2 ARG 54 HG2 ARG 54 5.723 -0.445 0.501 434 HG3 ARG 54 HG1 ARG 54 6.403 0.051 2.054 435 HD2 ARG 54 HD2 ARG 54 6.253 1.876 -0.318 436 HD3 ARG 54 HD1 ARG 54 4.941 1.806 0.834 437 HE ARG 54 HE ARG 54 7.698 2.750 1.275 438 HH11 ARG 54 HH11 ARG 54 4.324 2.616 2.443 439 HH12 ARG 54 HH12 ARG 54 4.563 3.751 3.686 440 HH21 ARG 54 HH21 ARG 54 7.990 4.337 3.000 441 HH22 ARG 54 HH22 ARG 54 6.700 4.740 4.014 442 H ILE 55 HN ILE 55 8.697 -2.920 -1.295 443 HA ILE 55 HA ILE 55 6.182 -4.301 -1.294 444 HB ILE 55 HB ILE 55 8.742 -4.846 -2.852 445 HG12 ILE 55 HG12 ILE 55 6.054 -3.924 -3.815 446 HG13 ILE 55 HG11 ILE 55 7.415 -2.849 -3.532 447 HG21 ILE 55 HG21 ILE 55 7.516 -6.467 -4.220 448 HG22 ILE 55 HG22 ILE 55 6.129 -6.314 -3.142 449 HG23 ILE 55 HG23 ILE 55 7.645 -6.981 -2.536 450 HD11 ILE 55 HD11 ILE 55 7.277 -3.289 -5.879 451 HD12 ILE 55 HD12 ILE 55 7.161 -5.023 -5.596 452 HD13 ILE 55 HD13 ILE 55 8.676 -4.195 -5.285 453 H ALA 56 HN ALA 56 9.458 -5.048 -0.310 454 HA ALA 56 HA ALA 56 9.041 -7.750 0.341 455 HB1 ALA 56 HB1 ALA 56 11.280 -6.752 0.166 456 HB2 ALA 56 HB2 ALA 56 11.053 -7.527 1.734 457 HB3 ALA 56 HB3 ALA 56 10.954 -5.770 1.594 458 H GLN 57 HN GLN 57 8.949 -4.808 2.295 459 HA GLN 57 HA GLN 57 7.984 -6.047 4.606 460 HB2 GLN 57 HB2 GLN 57 8.634 -3.439 3.854 461 HB3 GLN 57 HB1 GLN 57 6.945 -3.369 4.343 462 HG2 GLN 57 HG2 GLN 57 9.220 -4.454 5.986 463 HG3 GLN 57 HG1 GLN 57 8.424 -2.898 6.199 464 HE21 GLN 57 HE21 GLN 57 8.135 -6.373 6.607 465 HE22 GLN 57 HE22 GLN 57 6.775 -6.295 7.661 466 H PHE 58 HN PHE 58 6.280 -4.763 1.802 467 HA PHE 58 HA PHE 58 3.721 -4.977 2.946 468 HB2 PHE 58 HB2 PHE 58 4.239 -3.562 0.960 469 HB3 PHE 58 HB1 PHE 58 4.366 -5.027 0.000 470 HD1 PHE 58 HD1 PHE 58 1.902 -3.854 2.559 471 HD2 PHE 58 HD2 PHE 58 2.561 -5.208 -1.419 472 HE1 PHE 58 HE1 PHE 58 -0.512 -3.757 2.136 473 HE2 PHE 58 HE2 PHE 58 0.143 -5.118 -1.845 474 HZ PHE 58 HZ PHE 58 -1.396 -4.391 -0.071 475 H TYR 59 HN TYR 59 5.695 -7.289 1.162 476 HA TYR 59 HA TYR 59 3.773 -9.293 0.825 477 HB2 TYR 59 HB2 TYR 59 6.724 -9.479 1.379 478 HB3 TYR 59 HB1 TYR 59 5.747 -10.933 1.249 479 HD1 TYR 59 HD2 TYR 59 4.051 -10.369 -1.071 480 HD2 TYR 59 HD1 TYR 59 8.141 -9.406 -0.408 481 HE1 TYR 59 HE2 TYR 59 4.446 -10.383 -3.499 482 HE2 TYR 59 HE1 TYR 59 8.544 -9.423 -2.832 483 HH TYR 59 HH TYR 59 7.514 -10.467 -4.841 484 H THR 60 HN THR 60 5.890 -8.622 3.593 485 HA THR 60 HA THR 60 4.882 -10.614 5.291 486 HB THR 60 HB THR 60 5.909 -7.906 6.120 487 HG1 THR 60 HG1 THR 60 7.907 -8.617 5.610 488 HG21 THR 60 HG21 THR 60 6.166 -10.665 7.355 489 HG22 THR 60 HG22 THR 60 5.085 -9.394 7.922 490 HG23 THR 60 HG23 THR 60 6.831 -9.170 8.016 491 H ASP 61 HN ASP 61 4.121 -7.167 5.087 492 HA ASP 61 HA ASP 61 2.260 -6.905 7.116 493 HB2 ASP 61 HB2 ASP 61 3.388 -5.047 6.006 494 HB3 ASP 61 HB1 ASP 61 2.512 -5.397 4.524 495 H LEU 62 HN LEU 62 1.675 -7.465 3.682 496 HA LEU 62 HA LEU 62 -1.145 -7.501 3.859 497 HB2 LEU 62 HB2 LEU 62 0.203 -6.988 1.835 498 HB3 LEU 62 HB1 LEU 62 0.668 -8.668 1.752 499 HG LEU 62 HG LEU 62 -1.687 -9.279 1.340 500 HD11 LEU 62 HD11 LEU 62 -2.760 -7.413 2.480 501 HD12 LEU 62 HD12 LEU 62 -3.283 -7.501 0.800 502 HD13 LEU 62 HD13 LEU 62 -2.097 -6.293 1.292 503 HD21 LEU 62 HD21 LEU 62 -0.558 -7.191 -0.519 504 HD22 LEU 62 HD22 LEU 62 -1.789 -8.385 -0.931 505 HD23 LEU 62 HD23 LEU 62 -0.157 -8.909 -0.520 506 H ASN 63 HN ASN 63 1.332 -9.948 4.135 507 HA ASN 63 HA ASN 63 -0.459 -12.171 3.892 508 HB2 ASN 63 HB2 ASN 63 1.962 -12.292 3.307 509 HB3 ASN 63 HB1 ASN 63 2.348 -12.130 5.013 510 HD21 ASN 63 HD21 ASN 63 1.084 -14.175 2.547 511 HD22 ASN 63 HD22 ASN 63 1.059 -15.636 3.450 512 H ILE 64 HN ILE 64 0.804 -10.274 6.569 513 HA ILE 64 HA ILE 64 -0.310 -12.139 8.486 514 HB ILE 64 HB ILE 64 0.494 -10.621 10.255 515 HG12 ILE 64 HG12 ILE 64 1.529 -8.900 7.981 516 HG13 ILE 64 HG11 ILE 64 0.197 -8.476 9.047 517 HG21 ILE 64 HG21 ILE 64 2.552 -11.260 8.152 518 HG22 ILE 64 HG22 ILE 64 1.981 -12.338 9.428 519 HG23 ILE 64 HG23 ILE 64 2.902 -10.891 9.841 520 HD11 ILE 64 HD11 ILE 64 3.071 -8.856 9.865 521 HD12 ILE 64 HD12 ILE 64 1.744 -8.431 10.945 522 HD13 ILE 64 HD13 ILE 64 2.236 -7.314 9.671 523 H ASP 65 HN ASP 65 -1.425 -9.502 6.746 524 HA ASP 65 HA ASP 65 -3.326 -8.514 8.621 525 HB2 ASP 65 HB2 ASP 65 -2.632 -7.062 6.829 526 HB3 ASP 65 HB1 ASP 65 -3.143 -8.237 5.617 527 H GLY 66 HN GLY 66 -5.501 -8.898 8.767 528 HA2 GLY 66 HA2 GLY 66 -6.402 -11.425 7.515 529 HA3 GLY 66 HA1 GLY 66 -6.903 -10.883 9.135 530 H ARG 67 HN ARG 67 -6.744 -8.367 6.867 531 HA ARG 67 HA ARG 67 -9.661 -8.233 6.727 532 HB2 ARG 67 HB2 ARG 67 -7.555 -6.259 5.808 533 HB3 ARG 67 HB1 ARG 67 -9.277 -5.948 5.976 534 HG2 ARG 67 HG2 ARG 67 -9.126 -6.157 8.375 535 HG3 ARG 67 HG1 ARG 67 -7.427 -6.623 8.249 536 HD2 ARG 67 HD2 ARG 67 -7.615 -4.296 8.882 537 HD3 ARG 67 HD1 ARG 67 -6.921 -4.434 7.266 538 HE ARG 67 HE ARG 67 -9.779 -4.111 7.303 539 HH11 ARG 67 HH11 ARG 67 -6.694 -2.310 7.214 540 HH12 ARG 67 HH12 ARG 67 -7.468 -0.941 6.519 541 HH21 ARG 67 HH21 ARG 67 -10.678 -2.326 6.496 542 HH22 ARG 67 HH22 ARG 67 -9.762 -0.890 6.155 543 H PHE 68 HN PHE 68 -6.751 -8.447 4.883 544 HA PHE 68 HA PHE 68 -8.055 -8.776 2.359 545 HB2 PHE 68 HB2 PHE 68 -5.317 -8.536 3.354 546 HB3 PHE 68 HB1 PHE 68 -5.501 -9.675 2.023 547 HD1 PHE 68 HD1 PHE 68 -5.846 -6.152 3.044 548 HD2 PHE 68 HD2 PHE 68 -6.032 -8.959 -0.141 549 HE1 PHE 68 HE1 PHE 68 -5.838 -4.309 1.402 550 HE2 PHE 68 HE2 PHE 68 -6.025 -7.145 -1.766 551 HZ PHE 68 HZ PHE 68 -5.933 -4.846 -1.038 552 H LEU 69 HN LEU 69 -7.378 -10.678 1.052 553 HA LEU 69 HA LEU 69 -6.815 -13.154 2.363 554 HB2 LEU 69 HB2 LEU 69 -9.336 -12.870 2.661 555 HB3 LEU 69 HB1 LEU 69 -9.431 -12.723 0.942 556 HG LEU 69 HG LEU 69 -8.635 -15.014 0.623 557 HD11 LEU 69 HD11 LEU 69 -7.219 -15.264 2.551 558 HD12 LEU 69 HD12 LEU 69 -8.439 -16.538 2.533 559 HD13 LEU 69 HD13 LEU 69 -8.612 -15.165 3.627 560 HD21 LEU 69 HD21 LEU 69 -11.028 -14.608 0.817 561 HD22 LEU 69 HD22 LEU 69 -10.931 -14.835 2.564 562 HD23 LEU 69 HD23 LEU 69 -10.589 -16.180 1.479 563 H ALA 70 HN ALA 70 -5.508 -14.163 0.820 564 HA ALA 70 HA ALA 70 -5.749 -13.393 -1.934 565 HB1 ALA 70 HB1 ALA 70 -4.402 -15.426 -2.441 566 HB2 ALA 70 HB2 ALA 70 -4.357 -15.821 -0.736 567 HB3 ALA 70 HB3 ALA 70 -3.563 -14.342 -1.327 568 H LEU 71 HN LEU 71 -7.370 -13.928 -3.044 569 HA LEU 71 HA LEU 71 -9.205 -15.997 -2.411 570 HB2 LEU 71 HB2 LEU 71 -8.585 -14.903 -5.181 571 HB3 LEU 71 HB1 LEU 71 -10.094 -15.598 -4.623 572 HG LEU 71 HG LEU 71 -8.930 -12.917 -3.920 573 HD11 LEU 71 HD11 LEU 71 -9.805 -13.020 -6.147 574 HD12 LEU 71 HD12 LEU 71 -10.874 -12.072 -5.110 575 HD13 LEU 71 HD13 LEU 71 -11.311 -13.720 -5.552 576 HD21 LEU 71 HD21 LEU 71 -10.975 -12.468 -2.757 577 HD22 LEU 71 HD22 LEU 71 -10.163 -13.850 -2.006 578 HD23 LEU 71 HD23 LEU 71 -11.567 -14.096 -3.065 579 H SER 72 HN SER 72 -9.032 -18.179 -3.129 580 HA SER 72 HA SER 72 -6.590 -19.389 -3.129 581 HB2 SER 72 HB2 SER 72 -9.100 -20.456 -4.338 582 HB3 SER 72 HB1 SER 72 -7.847 -21.336 -3.441 583 HG SER 72 HG SER 72 -8.484 -20.421 -1.602 584 H ASP 73 HN ASP 73 -7.173 -17.511 -5.542 585 HA ASP 73 HA ASP 73 -6.154 -19.291 -7.516 586 HB2 ASP 73 HB2 ASP 73 -8.516 -18.908 -7.971 587 HB3 ASP 73 HB1 ASP 73 -8.280 -17.178 -7.895 588 H GLN 74 HN GLN 74 -4.959 -17.332 -5.636 589 HA GLN 74 HA GLN 74 -2.930 -16.336 -5.592 590 HB2 GLN 74 HB2 GLN 74 -2.905 -16.871 -8.580 591 HB3 GLN 74 HB1 GLN 74 -1.580 -16.085 -7.748 592 HG2 GLN 74 HG2 GLN 74 -1.091 -18.435 -8.148 593 HG3 GLN 74 HG1 GLN 74 -1.205 -18.117 -6.424 594 HE21 GLN 74 HE21 GLN 74 -2.909 -18.988 -5.274 595 HE22 GLN 74 HE22 GLN 74 -3.948 -20.199 -5.883 596 H THR 75 HN THR 75 -5.397 -15.086 -5.998 597 HA THR 75 HA THR 75 -4.497 -12.468 -7.049 598 HB THR 75 HB THR 75 -7.371 -13.377 -6.865 599 HG1 THR 75 HG1 THR 75 -5.387 -14.049 -8.710 600 HG21 THR 75 HG21 THR 75 -7.673 -11.688 -8.588 601 HG22 THR 75 HG22 THR 75 -5.933 -11.356 -8.553 602 HG23 THR 75 HG23 THR 75 -6.931 -11.000 -7.134 603 H TRP 76 HN TRP 76 -4.972 -10.632 -5.596 604 HA TRP 76 HA TRP 76 -5.743 -11.539 -2.978 605 HB2 TRP 76 HB2 TRP 76 -4.349 -9.054 -3.968 606 HB3 TRP 76 HB1 TRP 76 -4.943 -9.219 -2.319 607 HD1 TRP 76 HD1 TRP 76 -2.189 -10.510 -4.647 608 HE1 TRP 76 HE1 TRP 76 -0.419 -11.726 -3.232 609 HE3 TRP 76 HE3 TRP 76 -4.634 -10.523 -0.166 610 HZ2 TRP 76 HZ2 TRP 76 -0.108 -12.595 -0.496 611 HZ3 TRP 76 HZ3 TRP 76 -3.549 -11.543 1.773 612 HH2 TRP 76 HH2 TRP 76 -1.335 -12.556 1.605 613 H GLY 77 HN GLY 77 -7.335 -10.491 -1.813 614 HA2 GLY 77 HA2 GLY 77 -8.889 -8.447 -3.014 615 HA3 GLY 77 HA1 GLY 77 -9.693 -10.016 -2.974 616 H LEU 78 HN LEU 78 -10.995 -8.359 -1.588 617 HA LEU 78 HA LEU 78 -9.927 -8.338 1.103 618 HB2 LEU 78 HB2 LEU 78 -12.257 -6.900 -0.110 619 HB3 LEU 78 HB1 LEU 78 -11.878 -6.865 1.603 620 HG LEU 78 HG LEU 78 -10.039 -5.889 -0.580 621 HD11 LEU 78 HD11 LEU 78 -12.016 -4.520 -0.381 622 HD12 LEU 78 HD12 LEU 78 -10.596 -3.673 0.243 623 HD13 LEU 78 HD13 LEU 78 -11.770 -4.379 1.360 624 HD21 LEU 78 HD21 LEU 78 -8.836 -6.678 1.370 625 HD22 LEU 78 HD22 LEU 78 -9.881 -5.733 2.423 626 HD23 LEU 78 HD23 LEU 78 -8.790 -4.916 1.302 627 H ARG 79 HN ARG 79 -10.812 -9.252 2.744 628 HA ARG 79 HA ARG 79 -12.243 -11.659 2.267 629 HB2 ARG 79 HB2 ARG 79 -10.408 -10.891 3.952 630 HB3 ARG 79 HB1 ARG 79 -11.782 -10.414 4.918 631 HG2 ARG 79 HG2 ARG 79 -12.550 -12.663 5.047 632 HG3 ARG 79 HG1 ARG 79 -11.312 -13.194 3.890 633 HD2 ARG 79 HD2 ARG 79 -9.659 -12.112 5.444 634 HD3 ARG 79 HD1 ARG 79 -10.940 -12.107 6.649 635 HE ARG 79 HE ARG 79 -11.019 -14.557 6.321 636 HH11 ARG 79 HH11 ARG 79 -8.019 -12.711 5.512 637 HH12 ARG 79 HH12 ARG 79 -6.982 -13.976 5.914 638 HH21 ARG 79 HH21 ARG 79 -9.534 -16.285 6.735 639 HH22 ARG 79 HH22 ARG 79 -7.808 -16.061 6.562 640 H SER 80 HN SER 80 -12.965 -8.418 3.223 641 HA SER 80 HA SER 80 -15.517 -8.909 4.408 642 HB2 SER 80 HB2 SER 80 -14.316 -6.321 3.451 643 HB3 SER 80 HB1 SER 80 -15.503 -6.562 4.740 644 HG SER 80 HG SER 80 -13.761 -6.489 5.893 645 H TRP 81 HN TRP 81 -14.491 -9.057 1.277 646 HA TRP 81 HA TRP 81 -16.626 -7.629 -0.043 647 HB2 TRP 81 HB2 TRP 81 -14.483 -9.485 -0.947 648 HB3 TRP 81 HB1 TRP 81 -15.832 -9.111 -1.998 649 HD1 TRP 81 HD1 TRP 81 -15.497 -5.898 -0.647 650 HE1 TRP 81 HE1 TRP 81 -13.845 -4.466 -1.985 651 HE3 TRP 81 HE3 TRP 81 -13.029 -9.646 -3.093 652 HZ2 TRP 81 HZ2 TRP 81 -11.776 -4.890 -3.862 653 HZ3 TRP 81 HZ3 TRP 81 -11.253 -9.041 -4.649 654 HH2 TRP 81 HH2 TRP 81 -10.641 -6.718 -5.026 655 H TYR 82 HN TYR 82 -15.665 -10.981 0.161 656 HA TYR 82 HA TYR 82 -18.190 -11.799 -0.994 657 HB2 TYR 82 HB2 TYR 82 -15.800 -13.444 -0.123 658 HB3 TYR 82 HB1 TYR 82 -17.124 -13.995 -1.132 659 HD1 TYR 82 HD1 TYR 82 -17.309 -13.215 -3.464 660 HD2 TYR 82 HD2 TYR 82 -14.025 -12.150 -1.002 661 HE1 TYR 82 HE1 TYR 82 -16.029 -12.558 -5.453 662 HE2 TYR 82 HE2 TYR 82 -12.736 -11.518 -2.923 663 HH TYR 82 HH TYR 82 -12.697 -11.957 -5.347 Start of MODEL 8 1 H1 GLY 2 HT1 GLY 2 -11.014 3.659 -2.888 2 H2 GLY 2 HT2 GLY 2 -12.634 4.103 -2.643 3 H3 GLY 2 HT3 GLY 2 -11.486 4.347 -1.432 4 HA2 GLY 2 HA1 GLY 2 -11.437 5.757 -4.053 5 HA3 GLY 2 HA2 GLY 2 -12.031 6.424 -2.540 6 H ILE 3 HN ILE 3 -9.330 5.415 -4.360 7 HA ILE 3 HA ILE 3 -7.613 6.459 -2.218 8 HB ILE 3 HB ILE 3 -7.319 4.077 -2.496 9 HG12 ILE 3 HG12 ILE 3 -5.015 5.704 -3.577 10 HG13 ILE 3 HG11 ILE 3 -5.364 5.336 -1.904 11 HG21 ILE 3 HG21 ILE 3 -6.517 3.080 -4.581 12 HG22 ILE 3 HG22 ILE 3 -6.725 4.646 -5.377 13 HG23 ILE 3 HG23 ILE 3 -8.126 3.803 -4.716 14 HD11 ILE 3 HD11 ILE 3 -4.933 3.007 -2.264 15 HD12 ILE 3 HD12 ILE 3 -3.552 3.984 -2.790 16 HD13 ILE 3 HD13 ILE 3 -4.658 3.303 -3.984 17 H LYS 4 HN LYS 4 -8.471 6.532 -5.599 18 HA LYS 4 HA LYS 4 -6.157 7.973 -6.486 19 HB2 LYS 4 HB2 LYS 4 -8.816 7.586 -7.840 20 HB3 LYS 4 HB1 LYS 4 -7.340 8.159 -8.605 21 HG2 LYS 4 HG2 LYS 4 -6.271 6.000 -8.022 22 HG3 LYS 4 HG1 LYS 4 -7.838 5.443 -7.435 23 HD2 LYS 4 HD2 LYS 4 -8.788 5.877 -9.642 24 HD3 LYS 4 HD1 LYS 4 -7.202 6.347 -10.230 25 HE2 LYS 4 HE2 LYS 4 -8.127 3.656 -9.277 26 HE3 LYS 4 HE1 LYS 4 -7.531 4.109 -10.876 27 HZ1 LYS 4 HZ1 LYS 4 -5.879 2.874 -9.694 28 HZ2 LYS 4 HZ2 LYS 4 -5.976 3.900 -8.373 29 HZ3 LYS 4 HZ3 LYS 4 -5.293 4.470 -9.798 30 H GLN 5 HN GLN 5 -7.574 9.183 -4.348 31 HA GLN 5 HA GLN 5 -7.972 11.829 -5.514 32 HB2 GLN 5 HB2 GLN 5 -9.728 12.244 -3.770 33 HB3 GLN 5 HB1 GLN 5 -10.195 11.110 -5.025 34 HG2 GLN 5 HG2 GLN 5 -9.646 9.255 -3.493 35 HG3 GLN 5 HG1 GLN 5 -9.303 10.430 -2.229 36 HE21 GLN 5 HE21 GLN 5 -11.742 9.007 -4.224 37 HE22 GLN 5 HE22 GLN 5 -13.078 9.493 -3.238 38 H TYR 6 HN TYR 6 -6.232 9.883 -3.528 39 HA TYR 6 HA TYR 6 -5.701 11.942 -1.516 40 HB2 TYR 6 HB2 TYR 6 -4.630 9.132 -1.755 41 HB3 TYR 6 HB1 TYR 6 -4.321 10.229 -0.424 42 HD1 TYR 6 HD1 TYR 6 -7.269 11.251 -0.280 43 HD2 TYR 6 HD2 TYR 6 -5.518 7.390 -0.448 44 HE1 TYR 6 HE1 TYR 6 -9.217 10.322 0.905 45 HE2 TYR 6 HE2 TYR 6 -7.427 6.450 0.723 46 HH TYR 6 HH TYR 6 -10.329 8.106 1.089 47 H SER 7 HN SER 7 -3.716 12.957 -1.347 48 HA SER 7 HA SER 7 -2.014 12.830 -3.705 49 HB2 SER 7 HB2 SER 7 -1.824 14.569 -1.245 50 HB3 SER 7 HB1 SER 7 -1.010 14.817 -2.792 51 HG SER 7 HG SER 7 -3.288 14.730 -3.612 52 H GLN 8 HN GLN 8 0.358 13.155 -3.170 53 HA GLN 8 HA GLN 8 1.370 10.699 -2.558 54 HB2 GLN 8 HB2 GLN 8 2.453 12.419 -3.897 55 HB3 GLN 8 HB1 GLN 8 2.795 13.333 -2.433 56 HG2 GLN 8 HG2 GLN 8 4.057 11.415 -1.587 57 HG3 GLN 8 HG1 GLN 8 3.726 10.622 -3.123 58 HE21 GLN 8 HE21 GLN 8 6.208 11.447 -1.859 59 HE22 GLN 8 HE22 GLN 8 7.040 12.330 -3.106 60 H GLU 9 HN GLU 9 1.556 13.586 -0.400 61 HA GLU 9 HA GLU 9 2.924 12.193 1.654 62 HB2 GLU 9 HB2 GLU 9 2.415 14.112 3.107 63 HB3 GLU 9 HB1 GLU 9 3.019 14.628 1.541 64 HG2 GLU 9 HG2 GLU 9 0.762 15.199 0.838 65 HG3 GLU 9 HG1 GLU 9 0.123 14.592 2.360 66 H GLU 10 HN GLU 10 -0.348 12.515 0.855 67 HA GLU 10 HA GLU 10 -1.623 11.813 3.278 68 HB2 GLU 10 HB2 GLU 10 -2.719 12.858 1.334 69 HB3 GLU 10 HB1 GLU 10 -2.407 11.378 0.422 70 HG2 GLU 10 HG2 GLU 10 -4.757 11.610 1.241 71 HG3 GLU 10 HG1 GLU 10 -3.945 10.160 1.832 72 H LEU 11 HN LEU 11 -0.786 10.010 0.398 73 HA LEU 11 HA LEU 11 -1.550 7.467 1.329 74 HB2 LEU 11 HB2 LEU 11 0.279 8.343 -0.884 75 HB3 LEU 11 HB1 LEU 11 -0.279 6.691 -0.658 76 HG LEU 11 HG LEU 11 -2.219 8.966 -0.972 77 HD11 LEU 11 HD11 LEU 11 -0.734 8.924 -2.914 78 HD12 LEU 11 HD12 LEU 11 -2.385 8.445 -3.301 79 HD13 LEU 11 HD13 LEU 11 -1.126 7.221 -3.161 80 HD21 LEU 11 HD21 LEU 11 -3.111 6.911 -0.047 81 HD22 LEU 11 HD22 LEU 11 -2.407 5.989 -1.374 82 HD23 LEU 11 HD23 LEU 11 -3.699 7.142 -1.695 83 H LYS 12 HN LYS 12 1.326 9.317 1.614 84 HA LYS 12 HA LYS 12 3.006 7.223 2.485 85 HB2 LYS 12 HB2 LYS 12 3.152 10.167 2.392 86 HB3 LYS 12 HB1 LYS 12 4.207 9.371 3.546 87 HG2 LYS 12 HG2 LYS 12 4.088 8.602 0.645 88 HG3 LYS 12 HG1 LYS 12 5.190 9.832 1.275 89 HD2 LYS 12 HD2 LYS 12 6.170 8.197 2.801 90 HD3 LYS 12 HD1 LYS 12 5.045 6.970 2.233 91 HE2 LYS 12 HE2 LYS 12 6.025 6.933 0.087 92 HE3 LYS 12 HE1 LYS 12 6.980 8.373 0.400 93 HZ1 LYS 12 HZ1 LYS 12 7.331 5.735 1.760 94 HZ2 LYS 12 HZ2 LYS 12 8.233 7.110 2.071 95 HZ3 LYS 12 HZ3 LYS 12 8.338 6.395 0.567 96 H GLU 13 HN GLU 13 0.560 9.063 4.095 97 HA GLU 13 HA GLU 13 1.491 8.207 6.729 98 HB2 GLU 13 HB2 GLU 13 -0.948 9.792 5.917 99 HB3 GLU 13 HB1 GLU 13 -0.494 9.436 7.575 100 HG2 GLU 13 HG2 GLU 13 1.004 11.145 5.604 101 HG3 GLU 13 HG1 GLU 13 0.102 11.693 7.013 102 H MET 14 HN MET 14 0.096 6.704 4.323 103 HA MET 14 HA MET 14 -1.961 5.315 5.877 104 HB2 MET 14 HB2 MET 14 -1.287 5.205 2.932 105 HB3 MET 14 HB1 MET 14 -2.556 4.271 3.699 106 HG2 MET 14 HG2 MET 14 -2.461 7.275 3.537 107 HG3 MET 14 HG1 MET 14 -3.382 6.229 2.460 108 HE1 MET 14 HE1 MET 14 -5.632 7.490 2.933 109 HE2 MET 14 HE2 MET 14 -4.744 8.628 3.947 110 HE3 MET 14 HE3 MET 14 -6.216 7.870 4.554 111 H ALA 15 HN ALA 15 -1.783 3.107 6.225 112 HA ALA 15 HA ALA 15 0.860 1.981 6.205 113 HB1 ALA 15 HB1 ALA 15 -1.841 0.741 6.812 114 HB2 ALA 15 HB2 ALA 15 -0.722 1.412 7.996 115 HB3 ALA 15 HB3 ALA 15 -0.293 -0.044 7.103 116 H LEU 16 HN LEU 16 1.475 0.108 4.933 117 HA LEU 16 HA LEU 16 0.986 0.423 2.199 118 HB2 LEU 16 HB2 LEU 16 2.007 -2.093 3.527 119 HB3 LEU 16 HB1 LEU 16 2.220 -1.605 1.854 120 HG LEU 16 HG LEU 16 3.455 -0.318 4.268 121 HD11 LEU 16 HD11 LEU 16 4.546 -2.375 3.579 122 HD12 LEU 16 HD12 LEU 16 5.555 -0.975 3.205 123 HD13 LEU 16 HD13 LEU 16 4.657 -1.776 1.924 124 HD21 LEU 16 HD21 LEU 16 3.514 0.450 1.388 125 HD22 LEU 16 HD22 LEU 16 4.510 1.193 2.674 126 HD23 LEU 16 HD23 LEU 16 2.731 1.299 2.720 127 H VAL 17 HN VAL 17 -0.081 -2.209 4.257 128 HA VAL 17 HA VAL 17 -1.735 -3.445 2.390 129 HB VAL 17 HB VAL 17 -0.776 -4.333 4.444 130 HG11 VAL 17 HG11 VAL 17 -2.990 -2.840 5.840 131 HG12 VAL 17 HG12 VAL 17 -1.251 -2.615 6.020 132 HG13 VAL 17 HG13 VAL 17 -2.011 -4.102 6.602 133 HG21 VAL 17 HG21 VAL 17 -3.743 -4.757 4.125 134 HG22 VAL 17 HG22 VAL 17 -2.663 -5.847 5.000 135 HG23 VAL 17 HG23 VAL 17 -2.460 -5.600 3.264 136 H GLU 18 HN GLU 18 -2.242 -0.692 4.370 137 HA GLU 18 HA GLU 18 -5.108 -0.721 4.291 138 HB2 GLU 18 HB2 GLU 18 -3.878 0.223 6.171 139 HB3 GLU 18 HB1 GLU 18 -3.120 1.392 5.108 140 HG2 GLU 18 HG2 GLU 18 -5.228 2.486 4.758 141 HG3 GLU 18 HG1 GLU 18 -6.054 1.246 5.708 142 H ILE 19 HN ILE 19 -2.485 0.849 2.585 143 HA ILE 19 HA ILE 19 -3.955 2.551 0.891 144 HB ILE 19 HB ILE 19 -1.387 1.039 0.246 145 HG12 ILE 19 HG12 ILE 19 -1.717 3.848 1.304 146 HG13 ILE 19 HG11 ILE 19 -1.269 2.466 2.295 147 HG21 ILE 19 HG21 ILE 19 -2.549 3.532 -0.990 148 HG22 ILE 19 HG22 ILE 19 -2.502 1.944 -1.736 149 HG23 ILE 19 HG23 ILE 19 -0.994 2.808 -1.411 150 HD11 ILE 19 HD11 ILE 19 0.779 2.207 0.970 151 HD12 ILE 19 HD12 ILE 19 0.670 3.799 1.719 152 HD13 ILE 19 HD13 ILE 19 0.314 3.603 0.003 153 H ALA 20 HN ALA 20 -2.811 -0.758 0.496 154 HA ALA 20 HA ALA 20 -4.023 -1.283 -1.978 155 HB1 ALA 20 HB1 ALA 20 -3.607 -3.635 -1.496 156 HB2 ALA 20 HB2 ALA 20 -3.355 -3.263 0.205 157 HB3 ALA 20 HB3 ALA 20 -2.221 -2.663 -1.005 158 H HIS 21 HN HIS 21 -5.172 -1.693 1.323 159 HA HIS 21 HA HIS 21 -7.585 -2.991 0.891 160 HB2 HIS 21 HB2 HIS 21 -6.638 -2.525 3.127 161 HB3 HIS 21 HB1 HIS 21 -6.989 -0.808 2.907 162 HD1 HIS 21 HD1 HIS 21 -9.551 -0.109 3.047 163 HD2 HIS 21 HD2 HIS 21 -8.728 -4.062 4.013 164 HE1 HIS 21 HE1 HIS 21 -11.616 -0.982 4.081 165 HE2 HIS 21 HE2 HIS 21 -11.151 -3.393 4.559 166 H GLU 22 HN GLU 22 -6.915 0.493 0.883 167 HA GLU 22 HA GLU 22 -9.547 1.372 0.335 168 HB2 GLU 22 HB2 GLU 22 -7.583 2.700 1.246 169 HB3 GLU 22 HB1 GLU 22 -6.975 2.718 -0.405 170 HG2 GLU 22 HG2 GLU 22 -8.108 4.793 0.126 171 HG3 GLU 22 HG1 GLU 22 -8.941 3.915 -1.150 172 H LEU 23 HN LEU 23 -6.808 0.532 -1.632 173 HA LEU 23 HA LEU 23 -7.712 1.308 -4.168 174 HB2 LEU 23 HB2 LEU 23 -5.409 0.762 -3.602 175 HB3 LEU 23 HB1 LEU 23 -5.863 -0.889 -3.281 176 HG LEU 23 HG LEU 23 -6.239 -1.269 -5.690 177 HD11 LEU 23 HD11 LEU 23 -5.664 0.466 -7.293 178 HD12 LEU 23 HD12 LEU 23 -5.353 1.607 -5.986 179 HD13 LEU 23 HD13 LEU 23 -6.990 1.017 -6.271 180 HD21 LEU 23 HD21 LEU 23 -3.673 0.093 -5.003 181 HD22 LEU 23 HD22 LEU 23 -3.915 -1.052 -6.337 182 HD23 LEU 23 HD23 LEU 23 -4.079 -1.580 -4.650 183 H PHE 24 HN PHE 24 -7.958 -1.758 -2.424 184 HA PHE 24 HA PHE 24 -9.449 -2.973 -4.469 185 HB2 PHE 24 HB2 PHE 24 -8.887 -3.789 -1.664 186 HB3 PHE 24 HB1 PHE 24 -10.064 -4.674 -2.637 187 HD1 PHE 24 HD2 PHE 24 -9.339 -5.483 -4.899 188 HD2 PHE 24 HD1 PHE 24 -6.641 -4.220 -1.905 189 HE1 PHE 24 HE2 PHE 24 -7.555 -6.688 -6.022 190 HE2 PHE 24 HE1 PHE 24 -4.823 -5.421 -3.023 191 HZ PHE 24 HZ PHE 24 -5.287 -6.669 -5.101 192 H GLU 25 HN GLU 25 -10.459 -1.186 -1.644 193 HA GLU 25 HA GLU 25 -13.181 -1.784 -2.113 194 HB2 GLU 25 HB2 GLU 25 -11.867 0.395 -0.525 195 HB3 GLU 25 HB1 GLU 25 -13.614 0.330 -0.724 196 HG2 GLU 25 HG2 GLU 25 -11.946 -1.909 0.393 197 HG3 GLU 25 HG1 GLU 25 -12.798 -0.716 1.368 198 H GLU 26 HN GLU 26 -11.047 0.298 -3.661 199 HA GLU 26 HA GLU 26 -13.082 1.969 -4.807 200 HB2 GLU 26 HB2 GLU 26 -10.739 2.695 -4.394 201 HB3 GLU 26 HB1 GLU 26 -10.220 1.573 -5.637 202 HG2 GLU 26 HG2 GLU 26 -11.548 2.803 -7.277 203 HG3 GLU 26 HG1 GLU 26 -12.008 3.948 -6.016 204 H HIS 27 HN HIS 27 -11.297 -0.897 -5.716 205 HA HIS 27 HA HIS 27 -12.438 -0.938 -8.396 206 HB2 HIS 27 HB2 HIS 27 -10.563 -2.814 -6.981 207 HB3 HIS 27 HB1 HIS 27 -11.320 -3.263 -8.495 208 HD1 HIS 27 HD1 HIS 27 -10.281 -2.358 -10.625 209 HD2 HIS 27 HD2 HIS 27 -8.670 -0.673 -7.186 210 HE1 HIS 27 HE1 HIS 27 -8.294 -1.136 -11.371 211 HE2 HIS 27 HE2 HIS 27 -7.127 -0.529 -9.289 212 H LYS 28 HN LYS 28 -12.676 -2.820 -5.443 213 HA LYS 28 HA LYS 28 -13.960 -4.383 -4.666 214 HB2 LYS 28 HB2 LYS 28 -16.021 -2.974 -6.344 215 HB3 LYS 28 HB1 LYS 28 -16.417 -4.226 -5.164 216 HG2 LYS 28 HG2 LYS 28 -15.407 -2.877 -3.399 217 HG3 LYS 28 HG1 LYS 28 -15.017 -1.630 -4.577 218 HD2 LYS 28 HD2 LYS 28 -17.426 -1.354 -5.032 219 HD3 LYS 28 HD1 LYS 28 -17.771 -2.563 -3.791 220 HE2 LYS 28 HE2 LYS 28 -16.302 0.021 -3.340 221 HE3 LYS 28 HE1 LYS 28 -17.995 -0.255 -2.954 222 HZ1 LYS 28 HZ1 LYS 28 -17.309 -1.958 -1.369 223 HZ2 LYS 28 HZ2 LYS 28 -16.598 -0.506 -1.010 224 HZ3 LYS 28 HZ3 LYS 28 -15.686 -1.715 -1.703 225 H LYS 29 HN LYS 29 -12.454 -4.919 -6.953 226 HA LYS 29 HA LYS 29 -13.645 -7.457 -7.613 227 HB2 LYS 29 HB2 LYS 29 -12.216 -5.679 -9.619 228 HB3 LYS 29 HB1 LYS 29 -12.774 -7.314 -9.922 229 HG2 LYS 29 HG2 LYS 29 -15.116 -6.433 -9.524 230 HG3 LYS 29 HG1 LYS 29 -14.405 -4.819 -9.565 231 HD2 LYS 29 HD2 LYS 29 -14.310 -6.879 -11.780 232 HD3 LYS 29 HD1 LYS 29 -15.300 -5.427 -11.758 233 HE2 LYS 29 HE2 LYS 29 -12.281 -5.472 -11.739 234 HE3 LYS 29 HE1 LYS 29 -13.255 -5.230 -13.170 235 HZ1 LYS 29 HZ1 LYS 29 -14.192 -3.232 -12.091 236 HZ2 LYS 29 HZ2 LYS 29 -12.560 -3.125 -12.389 237 HZ3 LYS 29 HZ3 LYS 29 -13.099 -3.398 -10.821 238 HA PRO 30 HA PRO 30 -9.541 -8.578 -6.326 239 HB2 PRO 30 HB2 PRO 30 -9.513 -10.813 -8.288 240 HB3 PRO 30 HB1 PRO 30 -9.511 -10.835 -6.541 241 HG2 PRO 30 HG2 PRO 30 -11.664 -11.566 -7.950 242 HG3 PRO 30 HG1 PRO 30 -11.801 -10.753 -6.383 243 HD2 PRO 30 HD2 PRO 30 -12.056 -9.606 -9.132 244 HD3 PRO 30 HD1 PRO 30 -13.074 -9.347 -7.695 245 H VAL 31 HN VAL 31 -7.453 -8.138 -6.911 246 HA VAL 31 HA VAL 31 -6.934 -7.529 -9.731 247 HB VAL 31 HB VAL 31 -6.084 -5.772 -7.382 248 HG11 VAL 31 HG11 VAL 31 -5.638 -5.365 -10.334 249 HG12 VAL 31 HG12 VAL 31 -4.408 -5.779 -9.140 250 HG13 VAL 31 HG13 VAL 31 -5.224 -4.217 -9.061 251 HG21 VAL 31 HG21 VAL 31 -8.458 -5.482 -7.881 252 HG22 VAL 31 HG22 VAL 31 -8.064 -5.193 -9.576 253 HG23 VAL 31 HG23 VAL 31 -7.538 -4.047 -8.345 254 HA PRO 32 HA PRO 32 -3.444 -10.203 -8.855 255 HB2 PRO 32 HB2 PRO 32 -2.184 -8.733 -11.106 256 HB3 PRO 32 HB1 PRO 32 -2.416 -10.470 -10.897 257 HG2 PRO 32 HG2 PRO 32 -3.915 -9.113 -12.622 258 HG3 PRO 32 HG1 PRO 32 -4.614 -10.407 -11.631 259 HD2 PRO 32 HD2 PRO 32 -4.815 -7.444 -11.297 260 HD3 PRO 32 HD1 PRO 32 -6.049 -8.706 -11.067 261 H PHE 33 HN PHE 33 -1.489 -10.043 -7.908 262 HA PHE 33 HA PHE 33 -1.026 -7.953 -6.198 263 HB2 PHE 33 HB2 PHE 33 -0.232 -10.218 -5.855 264 HB3 PHE 33 HB1 PHE 33 0.942 -10.036 -7.169 265 HD1 PHE 33 HD2 PHE 33 -0.032 -8.859 -3.808 266 HD2 PHE 33 HD1 PHE 33 3.079 -9.145 -6.690 267 HE1 PHE 33 HE2 PHE 33 1.581 -8.122 -2.123 268 HE2 PHE 33 HE1 PHE 33 4.706 -8.411 -5.000 269 HZ PHE 33 HZ PHE 33 3.947 -7.896 -2.703 270 H GLN 34 HN GLN 34 0.542 -8.522 -9.310 271 HA GLN 34 HA GLN 34 2.412 -6.408 -9.044 272 HB2 GLN 34 HB2 GLN 34 1.373 -7.746 -11.531 273 HB3 GLN 34 HB1 GLN 34 2.720 -6.623 -11.499 274 HG2 GLN 34 HG2 GLN 34 2.600 -9.259 -10.053 275 HG3 GLN 34 HG1 GLN 34 3.456 -8.948 -11.568 276 HE21 GLN 34 HE21 GLN 34 4.416 -6.285 -10.594 277 HE22 GLN 34 HE22 GLN 34 5.625 -6.691 -9.433 278 H GLU 35 HN GLU 35 -0.905 -6.445 -10.240 279 HA GLU 35 HA GLU 35 -0.576 -3.958 -11.625 280 HB2 GLU 35 HB2 GLU 35 -2.934 -5.767 -11.186 281 HB3 GLU 35 HB1 GLU 35 -3.051 -4.231 -12.040 282 HG2 GLU 35 HG2 GLU 35 -1.515 -4.959 -13.708 283 HG3 GLU 35 HG1 GLU 35 -1.163 -6.434 -12.817 284 H LEU 36 HN LEU 36 -1.845 -5.067 -8.599 285 HA LEU 36 HA LEU 36 -3.051 -2.585 -7.966 286 HB2 LEU 36 HB2 LEU 36 -3.204 -3.426 -5.656 287 HB3 LEU 36 HB1 LEU 36 -3.715 -4.647 -6.791 288 HG LEU 36 HG LEU 36 -1.251 -5.528 -6.478 289 HD11 LEU 36 HD11 LEU 36 -0.445 -3.703 -5.129 290 HD12 LEU 36 HD12 LEU 36 -0.392 -5.225 -4.241 291 HD13 LEU 36 HD13 LEU 36 -1.662 -4.049 -3.898 292 HD21 LEU 36 HD21 LEU 36 -2.016 -6.955 -4.631 293 HD22 LEU 36 HD22 LEU 36 -3.213 -6.810 -5.919 294 HD23 LEU 36 HD23 LEU 36 -3.408 -5.897 -4.420 295 H LEU 37 HN LEU 37 0.165 -3.889 -7.644 296 HA LEU 37 HA LEU 37 1.262 -1.804 -6.075 297 HB2 LEU 37 HB2 LEU 37 2.532 -3.738 -7.991 298 HB3 LEU 37 HB1 LEU 37 3.441 -2.654 -6.954 299 HG LEU 37 HG LEU 37 1.565 -4.799 -5.961 300 HD11 LEU 37 HD11 LEU 37 4.552 -4.780 -6.230 301 HD12 LEU 37 HD12 LEU 37 3.427 -5.786 -7.145 302 HD13 LEU 37 HD13 LEU 37 3.610 -6.022 -5.405 303 HD21 LEU 37 HD21 LEU 37 2.704 -4.414 -3.820 304 HD22 LEU 37 HD22 LEU 37 1.881 -2.963 -4.384 305 HD23 LEU 37 HD23 LEU 37 3.631 -3.104 -4.552 306 H ASN 38 HN ASN 38 0.921 -2.357 -9.514 307 HA ASN 38 HA ASN 38 2.316 -0.189 -10.557 308 HB2 ASN 38 HB2 ASN 38 -0.257 -1.472 -11.504 309 HB3 ASN 38 HB1 ASN 38 0.590 -0.248 -12.441 310 HD21 ASN 38 HD21 ASN 38 3.242 -1.282 -11.858 311 HD22 ASN 38 HD22 ASN 38 3.375 -2.779 -12.704 312 H GLU 39 HN GLU 39 -1.059 -0.348 -9.467 313 HA GLU 39 HA GLU 39 -1.589 2.392 -9.927 314 HB2 GLU 39 HB2 GLU 39 -3.003 0.476 -8.076 315 HB3 GLU 39 HB1 GLU 39 -3.606 2.052 -8.565 316 HG2 GLU 39 HG2 GLU 39 -3.528 1.228 -10.935 317 HG3 GLU 39 HG1 GLU 39 -3.174 -0.362 -10.282 318 H ILE 40 HN ILE 40 -0.696 0.597 -7.017 319 HA ILE 40 HA ILE 40 -0.798 2.681 -5.171 320 HB ILE 40 HB ILE 40 0.994 0.232 -5.250 321 HG12 ILE 40 HG12 ILE 40 -1.461 0.868 -3.597 322 HG13 ILE 40 HG11 ILE 40 -1.412 -0.182 -5.008 323 HG21 ILE 40 HG21 ILE 40 2.122 1.930 -3.896 324 HG22 ILE 40 HG22 ILE 40 1.543 0.592 -2.905 325 HG23 ILE 40 HG23 ILE 40 0.665 2.119 -2.915 326 HD11 ILE 40 HD11 ILE 40 -1.457 -1.464 -2.944 327 HD12 ILE 40 HD12 ILE 40 0.019 -0.664 -2.401 328 HD13 ILE 40 HD13 ILE 40 0.056 -1.720 -3.815 329 H ALA 41 HN ALA 41 1.948 1.625 -7.138 330 HA ALA 41 HA ALA 41 3.701 3.586 -6.156 331 HB1 ALA 41 HB1 ALA 41 5.211 2.922 -7.885 332 HB2 ALA 41 HB2 ALA 41 3.904 2.078 -8.744 333 HB3 ALA 41 HB3 ALA 41 4.432 1.521 -7.146 334 H SER 42 HN SER 42 1.375 3.708 -8.736 335 HA SER 42 HA SER 42 2.404 6.169 -9.794 336 HB2 SER 42 HB2 SER 42 -0.372 4.996 -10.101 337 HB3 SER 42 HB1 SER 42 0.368 6.225 -11.130 338 HG SER 42 HG SER 42 0.948 3.475 -10.914 339 H LEU 43 HN LEU 43 -0.225 5.387 -7.600 340 HA LEU 43 HA LEU 43 -1.046 8.045 -7.177 341 HB2 LEU 43 HB2 LEU 43 -1.390 5.515 -5.595 342 HB3 LEU 43 HB1 LEU 43 -2.131 7.036 -5.132 343 HG LEU 43 HG LEU 43 -2.605 5.808 -7.838 344 HD11 LEU 43 HD11 LEU 43 -4.256 5.496 -5.342 345 HD12 LEU 43 HD12 LEU 43 -3.310 4.218 -6.105 346 HD13 LEU 43 HD13 LEU 43 -4.685 4.923 -6.951 347 HD21 LEU 43 HD21 LEU 43 -4.080 7.844 -6.182 348 HD22 LEU 43 HD22 LEU 43 -4.570 7.245 -7.771 349 HD23 LEU 43 HD23 LEU 43 -3.087 8.176 -7.602 350 H LEU 44 HN LEU 44 1.022 5.893 -5.281 351 HA LEU 44 HA LEU 44 1.837 7.975 -3.485 352 HB2 LEU 44 HB2 LEU 44 2.959 5.248 -4.131 353 HB3 LEU 44 HB1 LEU 44 3.778 6.350 -3.064 354 HG LEU 44 HG LEU 44 1.922 6.165 -1.451 355 HD11 LEU 44 HD11 LEU 44 0.107 5.730 -3.055 356 HD12 LEU 44 HD12 LEU 44 0.157 4.524 -1.773 357 HD13 LEU 44 HD13 LEU 44 0.803 4.149 -3.381 358 HD21 LEU 44 HD21 LEU 44 2.347 3.822 -0.841 359 HD22 LEU 44 HD22 LEU 44 3.818 4.683 -1.307 360 HD23 LEU 44 HD23 LEU 44 3.062 3.569 -2.439 361 H GLY 45 HN GLY 45 2.872 9.594 -4.401 362 HA2 GLY 45 HA2 GLY 45 4.541 9.571 -6.670 363 HA3 GLY 45 HA1 GLY 45 4.660 10.758 -5.386 364 H VAL 46 HN VAL 46 5.533 7.393 -5.946 365 HA VAL 46 HA VAL 46 8.224 7.854 -4.836 366 HB VAL 46 HB VAL 46 8.169 5.584 -3.895 367 HG11 VAL 46 HG11 VAL 46 7.400 7.402 -2.464 368 HG12 VAL 46 HG12 VAL 46 6.560 5.898 -2.085 369 HG13 VAL 46 HG13 VAL 46 5.751 7.154 -3.024 370 HG21 VAL 46 HG21 VAL 46 6.677 4.502 -5.494 371 HG22 VAL 46 HG22 VAL 46 5.322 5.456 -4.915 372 HG23 VAL 46 HG23 VAL 46 6.067 4.257 -3.855 373 H LYS 47 HN LYS 47 9.722 6.073 -5.679 374 HA LYS 47 HA LYS 47 9.033 5.585 -8.472 375 HB2 LYS 47 HB2 LYS 47 11.347 5.129 -8.851 376 HB3 LYS 47 HB1 LYS 47 11.288 6.549 -7.821 377 HG2 LYS 47 HG2 LYS 47 11.609 4.910 -5.892 378 HG3 LYS 47 HG1 LYS 47 12.094 3.749 -7.131 379 HD2 LYS 47 HD2 LYS 47 13.328 6.401 -6.465 380 HD3 LYS 47 HD1 LYS 47 14.017 4.792 -6.211 381 HE2 LYS 47 HE2 LYS 47 14.145 4.471 -8.628 382 HE3 LYS 47 HE1 LYS 47 13.429 6.067 -8.870 383 HZ1 LYS 47 HZ1 LYS 47 15.808 6.170 -9.102 384 HZ2 LYS 47 HZ2 LYS 47 16.039 5.504 -7.583 385 HZ3 LYS 47 HZ3 LYS 47 15.356 7.037 -7.728 386 H LYS 48 HN LYS 48 9.197 3.423 -9.351 387 HA LYS 48 HA LYS 48 7.857 1.555 -7.739 388 HB2 LYS 48 HB2 LYS 48 7.546 1.477 -10.107 389 HB3 LYS 48 HB1 LYS 48 9.260 1.193 -10.378 390 HG2 LYS 48 HG2 LYS 48 8.237 -0.901 -10.689 391 HG3 LYS 48 HG1 LYS 48 8.967 -0.908 -9.079 392 HD2 LYS 48 HD2 LYS 48 6.753 -0.445 -8.080 393 HD3 LYS 48 HD1 LYS 48 6.019 -0.535 -9.678 394 HE2 LYS 48 HE2 LYS 48 7.456 -2.742 -8.210 395 HE3 LYS 48 HE1 LYS 48 5.736 -2.649 -8.577 396 HZ1 LYS 48 HZ1 LYS 48 6.782 -4.125 -10.104 397 HZ2 LYS 48 HZ2 LYS 48 7.966 -3.025 -10.505 398 HZ3 LYS 48 HZ3 LYS 48 6.373 -2.747 -10.989 399 H GLU 49 HN GLU 49 11.260 1.933 -8.384 400 HA GLU 49 HA GLU 49 12.145 -0.606 -7.580 401 HB2 GLU 49 HB2 GLU 49 13.596 2.027 -7.420 402 HB3 GLU 49 HB1 GLU 49 14.348 0.442 -7.326 403 HG2 GLU 49 HG2 GLU 49 12.941 1.678 -9.671 404 HG3 GLU 49 HG1 GLU 49 14.648 1.241 -9.536 405 H GLU 50 HN GLU 50 11.947 2.402 -5.721 406 HA GLU 50 HA GLU 50 12.795 1.257 -3.280 407 HB2 GLU 50 HB2 GLU 50 12.138 3.331 -2.274 408 HB3 GLU 50 HB1 GLU 50 12.808 3.719 -3.853 409 HG2 GLU 50 HG2 GLU 50 10.479 3.842 -4.740 410 HG3 GLU 50 HG1 GLU 50 9.916 3.545 -3.120 411 H LEU 51 HN LEU 51 9.761 1.626 -4.934 412 HA LEU 51 HA LEU 51 8.081 0.903 -2.790 413 HB2 LEU 51 HB2 LEU 51 7.401 2.116 -4.921 414 HB3 LEU 51 HB1 LEU 51 7.571 0.604 -5.768 415 HG LEU 51 HG LEU 51 5.213 1.341 -5.260 416 HD11 LEU 51 HD11 LEU 51 4.368 -0.849 -4.628 417 HD12 LEU 51 HD12 LEU 51 5.996 -1.340 -4.157 418 HD13 LEU 51 HD13 LEU 51 5.642 -0.964 -5.844 419 HD21 LEU 51 HD21 LEU 51 5.955 0.602 -2.435 420 HD22 LEU 51 HD22 LEU 51 4.330 0.965 -3.014 421 HD23 LEU 51 HD23 LEU 51 5.570 2.218 -3.023 422 H GLY 52 HN GLY 52 10.038 -0.814 -5.081 423 HA2 GLY 52 HA2 GLY 52 9.047 -3.419 -4.762 424 HA3 GLY 52 HA1 GLY 52 10.685 -2.998 -5.251 425 H ASP 53 HN ASP 53 11.529 -1.644 -3.019 426 HA ASP 53 HA ASP 53 12.205 -3.676 -1.162 427 HB2 ASP 53 HB2 ASP 53 12.046 -0.702 -0.583 428 HB3 ASP 53 HB1 ASP 53 12.920 -1.891 0.372 429 H ARG 54 HN ARG 54 9.763 -1.195 -1.112 430 HA ARG 54 HA ARG 54 8.601 -2.058 1.318 431 HB2 ARG 54 HB2 ARG 54 7.545 -0.195 -0.799 432 HB3 ARG 54 HB1 ARG 54 6.537 -0.709 0.537 433 HG2 ARG 54 HG2 ARG 54 7.422 1.437 1.083 434 HG3 ARG 54 HG1 ARG 54 8.254 0.261 2.096 435 HD2 ARG 54 HD2 ARG 54 10.169 0.320 0.616 436 HD3 ARG 54 HD1 ARG 54 9.306 1.415 -0.461 437 HE ARG 54 HE ARG 54 9.986 2.158 2.316 438 HH11 ARG 54 HH11 ARG 54 9.914 2.974 -1.110 439 HH12 ARG 54 HH12 ARG 54 10.697 4.479 -0.937 440 HH21 ARG 54 HH21 ARG 54 11.090 4.095 2.564 441 HH22 ARG 54 HH22 ARG 54 11.388 5.162 1.260 442 H ILE 55 HN ILE 55 8.389 -3.338 -1.840 443 HA ILE 55 HA ILE 55 5.863 -4.623 -1.573 444 HB ILE 55 HB ILE 55 8.258 -5.365 -3.312 445 HG12 ILE 55 HG12 ILE 55 5.608 -4.112 -4.035 446 HG13 ILE 55 HG11 ILE 55 7.135 -3.253 -3.900 447 HG21 ILE 55 HG21 ILE 55 5.489 -6.567 -3.401 448 HG22 ILE 55 HG22 ILE 55 6.961 -7.394 -2.893 449 HG23 ILE 55 HG23 ILE 55 6.773 -6.874 -4.567 450 HD11 ILE 55 HD11 ILE 55 6.595 -3.673 -6.223 451 HD12 ILE 55 HD12 ILE 55 6.446 -5.398 -5.894 452 HD13 ILE 55 HD13 ILE 55 8.013 -4.633 -5.789 453 H ALA 56 HN ALA 56 9.151 -5.421 -0.760 454 HA ALA 56 HA ALA 56 8.693 -8.042 0.201 455 HB1 ALA 56 HB1 ALA 56 10.705 -6.030 1.219 456 HB2 ALA 56 HB2 ALA 56 10.935 -7.058 -0.189 457 HB3 ALA 56 HB3 ALA 56 10.795 -7.784 1.412 458 H GLN 57 HN GLN 57 8.860 -4.952 1.941 459 HA GLN 57 HA GLN 57 7.964 -5.801 4.448 460 HB2 GLN 57 HB2 GLN 57 8.761 -3.427 3.494 461 HB3 GLN 57 HB1 GLN 57 7.037 -3.149 3.403 462 HG2 GLN 57 HG2 GLN 57 8.587 -3.831 5.909 463 HG3 GLN 57 HG1 GLN 57 8.049 -2.235 5.461 464 HE21 GLN 57 HE21 GLN 57 7.204 -5.306 6.804 465 HE22 GLN 57 HE22 GLN 57 5.639 -4.854 7.361 466 H PHE 58 HN PHE 58 6.198 -4.835 1.591 467 HA PHE 58 HA PHE 58 3.586 -4.809 2.566 468 HB2 PHE 58 HB2 PHE 58 4.360 -3.795 0.435 469 HB3 PHE 58 HB1 PHE 58 4.550 -5.409 -0.220 470 HD1 PHE 58 HD2 PHE 58 1.874 -3.490 1.527 471 HD2 PHE 58 HD1 PHE 58 2.956 -6.006 -1.711 472 HE1 PHE 58 HE2 PHE 58 -0.421 -3.352 0.661 473 HE2 PHE 58 HE1 PHE 58 0.676 -5.881 -2.585 474 HZ PHE 58 HZ PHE 58 -1.025 -4.550 -1.401 475 H TYR 59 HN TYR 59 5.525 -7.465 1.203 476 HA TYR 59 HA TYR 59 3.476 -9.374 1.150 477 HB2 TYR 59 HB2 TYR 59 6.444 -9.606 1.458 478 HB3 TYR 59 HB1 TYR 59 5.454 -11.016 1.787 479 HD1 TYR 59 HD2 TYR 59 3.703 -11.564 -0.100 480 HD2 TYR 59 HD1 TYR 59 7.260 -9.315 -0.692 481 HE1 TYR 59 HE2 TYR 59 3.665 -12.149 -2.476 482 HE2 TYR 59 HE1 TYR 59 7.234 -9.900 -3.082 483 HH TYR 59 HH TYR 59 6.323 -11.621 -4.520 484 H THR 60 HN THR 60 5.717 -8.522 3.749 485 HA THR 60 HA THR 60 4.621 -10.291 5.650 486 HB THR 60 HB THR 60 5.949 -7.614 6.176 487 HG1 THR 60 HG1 THR 60 7.865 -8.627 5.923 488 HG21 THR 60 HG21 THR 60 6.709 -8.694 8.252 489 HG22 THR 60 HG22 THR 60 5.846 -10.164 7.804 490 HG23 THR 60 HG23 THR 60 4.947 -8.690 8.159 491 H ASP 61 HN ASP 61 4.021 -6.869 5.010 492 HA ASP 61 HA ASP 61 2.223 -6.305 7.087 493 HB2 ASP 61 HB2 ASP 61 3.543 -4.675 5.667 494 HB3 ASP 61 HB1 ASP 61 2.365 -4.939 4.396 495 H LEU 62 HN LEU 62 1.714 -7.521 3.854 496 HA LEU 62 HA LEU 62 -1.116 -7.272 3.724 497 HB2 LEU 62 HB2 LEU 62 0.720 -7.731 1.881 498 HB3 LEU 62 HB1 LEU 62 0.469 -9.400 2.316 499 HG LEU 62 HG LEU 62 -0.788 -9.099 0.405 500 HD11 LEU 62 HD11 LEU 62 -3.117 -9.230 0.983 501 HD12 LEU 62 HD12 LEU 62 -2.740 -8.681 2.613 502 HD13 LEU 62 HD13 LEU 62 -2.106 -10.225 2.031 503 HD21 LEU 62 HD21 LEU 62 -2.292 -7.242 -0.025 504 HD22 LEU 62 HD22 LEU 62 -0.620 -6.744 0.208 505 HD23 LEU 62 HD23 LEU 62 -1.798 -6.496 1.502 506 H ASN 63 HN ASN 63 1.058 -10.040 4.251 507 HA ASN 63 HA ASN 63 -1.044 -11.859 4.639 508 HB2 ASN 63 HB2 ASN 63 1.924 -12.121 4.955 509 HB3 ASN 63 HB1 ASN 63 0.839 -13.405 5.481 510 HD21 ASN 63 HD21 ASN 63 -0.229 -14.581 4.035 511 HD22 ASN 63 HD22 ASN 63 0.065 -14.579 2.339 512 H ILE 64 HN ILE 64 0.359 -9.752 6.913 513 HA ILE 64 HA ILE 64 -0.561 -11.435 9.100 514 HB ILE 64 HB ILE 64 0.309 -9.724 10.628 515 HG12 ILE 64 HG12 ILE 64 1.174 -8.249 8.120 516 HG13 ILE 64 HG11 ILE 64 -0.103 -7.735 9.215 517 HG21 ILE 64 HG21 ILE 64 2.236 -10.589 8.482 518 HG22 ILE 64 HG22 ILE 64 1.790 -11.492 9.931 519 HG23 ILE 64 HG23 ILE 64 2.698 -9.983 10.070 520 HD11 ILE 64 HD11 ILE 64 2.822 -7.982 9.899 521 HD12 ILE 64 HD12 ILE 64 1.549 -7.458 11.000 522 HD13 ILE 64 HD13 ILE 64 1.951 -6.481 9.587 523 H ASP 65 HN ASP 65 -2.072 -9.404 7.032 524 HA ASP 65 HA ASP 65 -3.760 -8.076 9.018 525 HB2 ASP 65 HB2 ASP 65 -2.837 -6.944 6.909 526 HB3 ASP 65 HB1 ASP 65 -3.997 -7.917 6.012 527 H GLY 66 HN GLY 66 -6.100 -8.358 8.955 528 HA2 GLY 66 HA2 GLY 66 -6.804 -11.066 8.045 529 HA3 GLY 66 HA1 GLY 66 -7.504 -10.228 9.449 530 H ARG 67 HN ARG 67 -7.254 -7.941 7.141 531 HA ARG 67 HA ARG 67 -10.062 -8.189 6.409 532 HB2 ARG 67 HB2 ARG 67 -8.002 -6.018 5.975 533 HB3 ARG 67 HB1 ARG 67 -9.698 -5.890 5.523 534 HG2 ARG 67 HG2 ARG 67 -10.401 -5.928 7.772 535 HG3 ARG 67 HG1 ARG 67 -8.810 -6.432 8.339 536 HD2 ARG 67 HD2 ARG 67 -9.357 -3.800 6.984 537 HD3 ARG 67 HD1 ARG 67 -9.366 -4.016 8.736 538 HE ARG 67 HE ARG 67 -6.944 -4.968 7.563 539 HH11 ARG 67 HH11 ARG 67 -8.550 -1.925 8.560 540 HH12 ARG 67 HH12 ARG 67 -7.066 -1.150 8.885 541 HH21 ARG 67 HH21 ARG 67 -5.016 -3.844 8.028 542 HH22 ARG 67 HH22 ARG 67 -5.037 -2.209 8.587 543 H PHE 68 HN PHE 68 -6.961 -8.677 5.211 544 HA PHE 68 HA PHE 68 -7.764 -8.705 2.417 545 HB2 PHE 68 HB2 PHE 68 -5.273 -8.404 3.860 546 HB3 PHE 68 HB1 PHE 68 -5.158 -9.563 2.537 547 HD1 PHE 68 HD1 PHE 68 -5.453 -8.892 0.276 548 HD2 PHE 68 HD2 PHE 68 -5.690 -6.064 3.434 549 HE1 PHE 68 HE1 PHE 68 -5.216 -7.079 -1.347 550 HE2 PHE 68 HE2 PHE 68 -5.453 -4.235 1.803 551 HZ PHE 68 HZ PHE 68 -5.213 -4.768 -0.605 552 H LEU 69 HN LEU 69 -7.472 -10.511 1.092 553 HA LEU 69 HA LEU 69 -6.885 -13.039 2.386 554 HB2 LEU 69 HB2 LEU 69 -9.400 -12.757 2.452 555 HB3 LEU 69 HB1 LEU 69 -9.347 -12.590 0.726 556 HG LEU 69 HG LEU 69 -8.363 -14.851 0.537 557 HD11 LEU 69 HD11 LEU 69 -8.993 -15.050 3.462 558 HD12 LEU 69 HD12 LEU 69 -7.393 -15.102 2.716 559 HD13 LEU 69 HD13 LEU 69 -8.553 -16.392 2.407 560 HD21 LEU 69 HD21 LEU 69 -10.445 -16.046 0.956 561 HD22 LEU 69 HD22 LEU 69 -10.705 -14.487 0.169 562 HD23 LEU 69 HD23 LEU 69 -11.036 -14.667 1.887 563 H ALA 70 HN ALA 70 -5.915 -14.452 0.950 564 HA ALA 70 HA ALA 70 -5.423 -13.594 -1.756 565 HB1 ALA 70 HB1 ALA 70 -4.380 -15.874 -1.962 566 HB2 ALA 70 HB2 ALA 70 -4.766 -16.162 -0.273 567 HB3 ALA 70 HB3 ALA 70 -3.635 -14.874 -0.717 568 H LEU 71 HN LEU 71 -7.093 -13.718 -3.041 569 HA LEU 71 HA LEU 71 -9.267 -15.480 -2.661 570 HB2 LEU 71 HB2 LEU 71 -8.408 -13.688 -4.929 571 HB3 LEU 71 HB1 LEU 71 -9.932 -14.566 -4.908 572 HG LEU 71 HG LEU 71 -9.254 -12.750 -2.617 573 HD11 LEU 71 HD11 LEU 71 -10.464 -11.982 -5.242 574 HD12 LEU 71 HD12 LEU 71 -8.901 -11.416 -4.617 575 HD13 LEU 71 HD13 LEU 71 -10.407 -10.966 -3.807 576 HD21 LEU 71 HD21 LEU 71 -11.194 -14.252 -2.527 577 HD22 LEU 71 HD22 LEU 71 -11.772 -13.463 -4.020 578 HD23 LEU 71 HD23 LEU 71 -11.628 -12.528 -2.533 579 H SER 72 HN SER 72 -9.868 -16.591 -5.055 580 HA SER 72 HA SER 72 -8.896 -19.072 -4.939 581 HB2 SER 72 HB2 SER 72 -9.655 -19.303 -7.336 582 HB3 SER 72 HB1 SER 72 -10.826 -18.636 -6.196 583 HG SER 72 HG SER 72 -9.443 -17.383 -8.302 584 H ASP 73 HN ASP 73 -7.240 -16.516 -6.687 585 HA ASP 73 HA ASP 73 -5.324 -18.516 -7.740 586 HB2 ASP 73 HB2 ASP 73 -5.897 -15.778 -8.875 587 HB3 ASP 73 HB1 ASP 73 -4.895 -17.029 -9.589 588 H GLN 74 HN GLN 74 -5.369 -16.848 -5.164 589 HA GLN 74 HA GLN 74 -3.904 -15.840 -3.820 590 HB2 GLN 74 HB2 GLN 74 -1.917 -16.761 -5.899 591 HB3 GLN 74 HB1 GLN 74 -1.390 -15.772 -4.546 592 HG2 GLN 74 HG2 GLN 74 -1.156 -18.317 -4.339 593 HG3 GLN 74 HG1 GLN 74 -1.869 -17.452 -2.976 594 HE21 GLN 74 HE21 GLN 74 -2.526 -19.466 -5.727 595 HE22 GLN 74 HE22 GLN 74 -4.100 -19.956 -5.215 596 H THR 75 HN THR 75 -5.015 -14.802 -6.298 597 HA THR 75 HA THR 75 -3.928 -12.187 -6.660 598 HB THR 75 HB THR 75 -6.698 -13.330 -7.118 599 HG1 THR 75 HG1 THR 75 -4.346 -13.784 -8.298 600 HG21 THR 75 HG21 THR 75 -6.668 -10.866 -7.186 601 HG22 THR 75 HG22 THR 75 -6.955 -11.543 -8.788 602 HG23 THR 75 HG23 THR 75 -5.363 -10.917 -8.368 603 H TRP 76 HN TRP 76 -4.595 -10.328 -5.422 604 HA TRP 76 HA TRP 76 -5.695 -11.200 -2.902 605 HB2 TRP 76 HB2 TRP 76 -4.163 -8.704 -3.618 606 HB3 TRP 76 HB1 TRP 76 -4.787 -9.088 -2.016 607 HD1 TRP 76 HD1 TRP 76 -1.897 -9.780 -4.315 608 HE1 TRP 76 HE1 TRP 76 -0.187 -11.291 -3.119 609 HE3 TRP 76 HE3 TRP 76 -4.682 -11.108 -0.256 610 HZ2 TRP 76 HZ2 TRP 76 -0.043 -12.843 -0.746 611 HZ3 TRP 76 HZ3 TRP 76 -3.695 -12.613 1.420 612 HH2 TRP 76 HH2 TRP 76 -1.425 -13.460 1.171 613 H GLY 77 HN GLY 77 -7.120 -9.939 -1.797 614 HA2 GLY 77 HA2 GLY 77 -8.488 -7.795 -2.919 615 HA3 GLY 77 HA1 GLY 77 -9.409 -9.294 -3.102 616 H LEU 78 HN LEU 78 -10.830 -8.147 -1.642 617 HA LEU 78 HA LEU 78 -9.815 -8.193 1.079 618 HB2 LEU 78 HB2 LEU 78 -12.146 -6.675 -0.044 619 HB3 LEU 78 HB1 LEU 78 -11.701 -6.715 1.652 620 HG LEU 78 HG LEU 78 -10.029 -5.594 -0.591 621 HD11 LEU 78 HD11 LEU 78 -11.928 -4.207 -0.047 622 HD12 LEU 78 HD12 LEU 78 -10.421 -3.462 0.495 623 HD13 LEU 78 HD13 LEU 78 -11.487 -4.242 1.660 624 HD21 LEU 78 HD21 LEU 78 -8.599 -6.563 1.107 625 HD22 LEU 78 HD22 LEU 78 -9.498 -5.730 2.372 626 HD23 LEU 78 HD23 LEU 78 -8.546 -4.804 1.213 627 H ARG 79 HN ARG 79 -10.681 -9.255 2.568 628 HA ARG 79 HA ARG 79 -12.115 -11.604 1.944 629 HB2 ARG 79 HB2 ARG 79 -10.438 -11.558 3.664 630 HB3 ARG 79 HB1 ARG 79 -11.264 -10.254 4.487 631 HG2 ARG 79 HG2 ARG 79 -13.150 -11.789 4.904 632 HG3 ARG 79 HG1 ARG 79 -12.166 -13.079 4.204 633 HD2 ARG 79 HD2 ARG 79 -10.646 -13.037 5.914 634 HD3 ARG 79 HD1 ARG 79 -11.099 -11.409 6.426 635 HE ARG 79 HE ARG 79 -12.972 -13.646 6.650 636 HH11 ARG 79 HH11 ARG 79 -10.927 -11.262 8.289 637 HH12 ARG 79 HH12 ARG 79 -11.927 -11.173 9.669 638 HH21 ARG 79 HH21 ARG 79 -14.403 -13.440 8.534 639 HH22 ARG 79 HH22 ARG 79 -13.992 -12.309 9.724 640 H SER 80 HN SER 80 -12.933 -8.458 3.122 641 HA SER 80 HA SER 80 -15.290 -9.019 4.507 642 HB2 SER 80 HB2 SER 80 -14.412 -6.429 3.287 643 HB3 SER 80 HB1 SER 80 -15.493 -6.670 4.664 644 HG SER 80 HG SER 80 -13.577 -7.913 5.529 645 H TRP 81 HN TRP 81 -14.846 -9.052 1.142 646 HA TRP 81 HA TRP 81 -17.421 -7.907 0.494 647 HB2 TRP 81 HB2 TRP 81 -15.528 -9.465 -1.261 648 HB3 TRP 81 HB1 TRP 81 -16.964 -8.620 -1.802 649 HD1 TRP 81 HD1 TRP 81 -16.410 -5.813 -0.292 650 HE1 TRP 81 HE1 TRP 81 -14.533 -4.296 -1.197 651 HE3 TRP 81 HE3 TRP 81 -13.701 -9.356 -2.814 652 HZ2 TRP 81 HZ2 TRP 81 -12.224 -4.596 -2.820 653 HZ3 TRP 81 HZ3 TRP 81 -11.696 -8.652 -4.034 654 HH2 TRP 81 HH2 TRP 81 -10.969 -6.338 -4.036 655 H TYR 82 HN TYR 82 -16.258 -10.965 1.500 656 HA TYR 82 HA TYR 82 -18.685 -12.270 0.480 657 HB2 TYR 82 HB2 TYR 82 -15.986 -13.614 0.651 658 HB3 TYR 82 HB1 TYR 82 -17.435 -14.216 -0.124 659 HD1 TYR 82 HD1 TYR 82 -14.554 -12.021 -0.415 660 HD2 TYR 82 HD2 TYR 82 -18.021 -13.447 -2.399 661 HE1 TYR 82 HE1 TYR 82 -13.620 -11.253 -2.492 662 HE2 TYR 82 HE2 TYR 82 -17.116 -12.637 -4.543 663 HH TYR 82 HH TYR 82 -15.499 -10.981 -5.337 Start of MODEL 9 1 H1 GLY 2 HT1 GLY 2 -13.279 9.169 -0.146 2 H2 GLY 2 HT2 GLY 2 -11.952 9.280 0.909 3 H3 GLY 2 HT3 GLY 2 -12.191 7.890 -0.019 4 HA2 GLY 2 HA1 GLY 2 -11.778 9.033 -2.026 5 HA3 GLY 2 HA2 GLY 2 -11.618 10.552 -1.164 6 H ILE 3 HN ILE 3 -10.218 7.472 -1.802 7 HA ILE 3 HA ILE 3 -7.828 8.058 -0.250 8 HB ILE 3 HB ILE 3 -8.726 5.853 -0.105 9 HG12 ILE 3 HG12 ILE 3 -6.149 6.136 -0.232 10 HG13 ILE 3 HG11 ILE 3 -6.787 4.512 -0.362 11 HG21 ILE 3 HG21 ILE 3 -8.582 5.732 -3.070 12 HG22 ILE 3 HG22 ILE 3 -10.001 5.646 -2.036 13 HG23 ILE 3 HG23 ILE 3 -8.843 4.305 -2.071 14 HD11 ILE 3 HD11 ILE 3 -5.827 6.251 -2.623 15 HD12 ILE 3 HD12 ILE 3 -6.461 4.616 -2.800 16 HD13 ILE 3 HD13 ILE 3 -4.957 4.890 -1.916 17 H LYS 4 HN LYS 4 -8.768 7.898 -3.638 18 HA LYS 4 HA LYS 4 -6.006 8.118 -4.396 19 HB2 LYS 4 HB2 LYS 4 -8.494 7.767 -6.051 20 HB3 LYS 4 HB1 LYS 4 -6.883 7.915 -6.747 21 HG2 LYS 4 HG2 LYS 4 -6.146 5.951 -5.455 22 HG3 LYS 4 HG1 LYS 4 -7.764 5.789 -4.797 23 HD2 LYS 4 HD2 LYS 4 -7.083 5.623 -7.723 24 HD3 LYS 4 HD1 LYS 4 -7.259 4.234 -6.654 25 HE2 LYS 4 HE2 LYS 4 -9.581 4.862 -6.224 26 HE3 LYS 4 HE1 LYS 4 -9.398 6.263 -7.276 27 HZ1 LYS 4 HZ1 LYS 4 -9.040 3.458 -8.166 28 HZ2 LYS 4 HZ2 LYS 4 -9.064 4.836 -9.149 29 HZ3 LYS 4 HZ3 LYS 4 -10.468 4.322 -8.313 30 H GLN 5 HN GLN 5 -7.415 10.317 -3.097 31 HA GLN 5 HA GLN 5 -6.731 12.411 -5.047 32 HB2 GLN 5 HB2 GLN 5 -8.072 13.954 -3.619 33 HB3 GLN 5 HB1 GLN 5 -9.037 12.657 -4.310 34 HG2 GLN 5 HG2 GLN 5 -9.002 11.468 -2.214 35 HG3 GLN 5 HG1 GLN 5 -7.937 12.683 -1.513 36 HE21 GLN 5 HE21 GLN 5 -11.155 12.003 -2.632 37 HE22 GLN 5 HE22 GLN 5 -11.911 13.322 -1.817 38 H TYR 6 HN TYR 6 -5.434 10.650 -2.741 39 HA TYR 6 HA TYR 6 -4.195 12.745 -1.154 40 HB2 TYR 6 HB2 TYR 6 -3.879 9.746 -1.124 41 HB3 TYR 6 HB1 TYR 6 -3.035 10.836 -0.046 42 HD1 TYR 6 HD2 TYR 6 -5.684 12.618 0.329 43 HD2 TYR 6 HD1 TYR 6 -4.777 8.470 0.676 44 HE1 TYR 6 HE2 TYR 6 -7.484 12.357 1.977 45 HE2 TYR 6 HE1 TYR 6 -6.570 8.203 2.308 46 HH TYR 6 HH TYR 6 -7.715 9.701 3.942 47 H SER 7 HN SER 7 -2.152 13.414 -1.460 48 HA SER 7 HA SER 7 -0.736 12.467 -3.819 49 HB2 SER 7 HB2 SER 7 -0.930 14.913 -3.332 50 HB3 SER 7 HB1 SER 7 -0.006 14.674 -1.859 51 HG SER 7 HG SER 7 0.970 15.276 -4.107 52 H GLN 8 HN GLN 8 1.721 12.653 -3.307 53 HA GLN 8 HA GLN 8 2.245 10.006 -2.579 54 HB2 GLN 8 HB2 GLN 8 3.583 11.254 -4.158 55 HB3 GLN 8 HB1 GLN 8 4.207 12.239 -2.834 56 HG2 GLN 8 HG2 GLN 8 4.705 9.865 -1.819 57 HG3 GLN 8 HG1 GLN 8 4.697 9.475 -3.545 58 HE21 GLN 8 HE21 GLN 8 5.735 12.006 -4.373 59 HE22 GLN 8 HE22 GLN 8 7.408 11.999 -3.893 60 H GLU 9 HN GLU 9 3.136 13.005 -0.795 61 HA GLU 9 HA GLU 9 4.575 11.539 1.144 62 HB2 GLU 9 HB2 GLU 9 5.030 13.924 0.423 63 HB3 GLU 9 HB1 GLU 9 3.633 14.402 1.372 64 HG2 GLU 9 HG2 GLU 9 5.749 14.770 2.536 65 HG3 GLU 9 HG1 GLU 9 4.691 13.650 3.390 66 H GLU 10 HN GLU 10 1.391 12.643 0.802 67 HA GLU 10 HA GLU 10 0.337 12.192 3.360 68 HB2 GLU 10 HB2 GLU 10 -0.860 13.298 1.529 69 HB3 GLU 10 HB1 GLU 10 -0.838 11.797 0.606 70 HG2 GLU 10 HG2 GLU 10 -3.026 12.192 1.618 71 HG3 GLU 10 HG1 GLU 10 -2.268 10.758 2.314 72 H LEU 11 HN LEU 11 0.563 10.116 0.519 73 HA LEU 11 HA LEU 11 -0.373 7.779 1.774 74 HB2 LEU 11 HB2 LEU 11 1.190 8.152 -0.772 75 HB3 LEU 11 HB1 LEU 11 0.433 6.643 -0.287 76 HG LEU 11 HG LEU 11 -1.086 9.216 -0.748 77 HD11 LEU 11 HD11 LEU 11 -1.834 8.264 -2.823 78 HD12 LEU 11 HD12 LEU 11 -0.862 6.825 -2.540 79 HD13 LEU 11 HD13 LEU 11 -0.070 8.381 -2.825 80 HD21 LEU 11 HD21 LEU 11 -3.045 7.724 -0.773 81 HD22 LEU 11 HD22 LEU 11 -2.216 7.717 0.780 82 HD23 LEU 11 HD23 LEU 11 -2.003 6.370 -0.341 83 H LYS 12 HN LYS 12 2.759 9.173 1.520 84 HA LYS 12 HA LYS 12 4.528 7.147 2.173 85 HB2 LYS 12 HB2 LYS 12 4.382 10.038 2.879 86 HB3 LYS 12 HB1 LYS 12 5.647 9.089 3.597 87 HG2 LYS 12 HG2 LYS 12 5.228 9.349 0.630 88 HG3 LYS 12 HG1 LYS 12 6.218 10.455 1.582 89 HD2 LYS 12 HD2 LYS 12 7.490 8.393 2.359 90 HD3 LYS 12 HD1 LYS 12 6.664 7.534 1.055 91 HE2 LYS 12 HE2 LYS 12 8.824 8.303 0.262 92 HE3 LYS 12 HE1 LYS 12 7.532 9.192 -0.550 93 HZ1 LYS 12 HZ1 LYS 12 9.280 10.704 0.080 94 HZ2 LYS 12 HZ2 LYS 12 9.266 10.173 1.660 95 HZ3 LYS 12 HZ3 LYS 12 7.958 11.054 1.078 96 H GLU 13 HN GLU 13 2.395 8.989 4.402 97 HA GLU 13 HA GLU 13 3.431 7.360 6.583 98 HB2 GLU 13 HB2 GLU 13 2.382 8.949 8.121 99 HB3 GLU 13 HB1 GLU 13 3.483 9.747 7.014 100 HG2 GLU 13 HG2 GLU 13 1.570 10.520 5.699 101 HG3 GLU 13 HG1 GLU 13 0.480 9.705 6.821 102 H MET 14 HN MET 14 0.924 7.278 4.496 103 HA MET 14 HA MET 14 -1.160 6.347 6.252 104 HB2 MET 14 HB2 MET 14 -0.812 6.255 3.259 105 HB3 MET 14 HB1 MET 14 -2.182 5.506 4.052 106 HG2 MET 14 HG2 MET 14 -1.491 8.429 4.255 107 HG3 MET 14 HG1 MET 14 -2.611 7.757 3.074 108 HE1 MET 14 HE1 MET 14 -5.534 6.449 5.351 109 HE2 MET 14 HE2 MET 14 -4.158 5.504 4.794 110 HE3 MET 14 HE3 MET 14 -4.945 6.640 3.699 111 H ALA 15 HN ALA 15 -1.744 4.234 6.679 112 HA ALA 15 HA ALA 15 0.256 2.261 6.677 113 HB1 ALA 15 HB1 ALA 15 -1.528 0.723 7.373 114 HB2 ALA 15 HB2 ALA 15 -2.736 1.910 6.891 115 HB3 ALA 15 HB3 ALA 15 -1.658 2.256 8.238 116 H LEU 16 HN LEU 16 0.819 0.818 5.203 117 HA LEU 16 HA LEU 16 -0.030 1.239 2.574 118 HB2 LEU 16 HB2 LEU 16 1.464 -0.601 1.864 119 HB3 LEU 16 HB1 LEU 16 2.250 0.618 2.835 120 HG LEU 16 HG LEU 16 1.418 -2.089 3.935 121 HD11 LEU 16 HD11 LEU 16 4.081 -1.192 2.842 122 HD12 LEU 16 HD12 LEU 16 2.996 -2.356 2.082 123 HD13 LEU 16 HD13 LEU 16 3.753 -2.735 3.630 124 HD21 LEU 16 HD21 LEU 16 1.854 -0.380 5.656 125 HD22 LEU 16 HD22 LEU 16 3.394 -0.014 4.893 126 HD23 LEU 16 HD23 LEU 16 3.132 -1.592 5.627 127 H VAL 17 HN VAL 17 -0.935 -1.299 4.837 128 HA VAL 17 HA VAL 17 -2.343 -2.734 2.812 129 HB VAL 17 HB VAL 17 -1.549 -3.738 5.023 130 HG11 VAL 17 HG11 VAL 17 -4.037 -2.452 6.106 131 HG12 VAL 17 HG12 VAL 17 -2.394 -2.030 6.544 132 HG13 VAL 17 HG13 VAL 17 -3.038 -3.622 6.957 133 HG21 VAL 17 HG21 VAL 17 -4.417 -4.211 4.229 134 HG22 VAL 17 HG22 VAL 17 -3.440 -5.301 5.214 135 HG23 VAL 17 HG23 VAL 17 -2.995 -4.988 3.536 136 H GLU 18 HN GLU 18 -3.047 0.019 4.718 137 HA GLU 18 HA GLU 18 -5.894 -0.187 4.487 138 HB2 GLU 18 HB2 GLU 18 -4.771 1.102 6.307 139 HB3 GLU 18 HB1 GLU 18 -4.236 2.266 5.104 140 HG2 GLU 18 HG2 GLU 18 -6.202 3.074 6.297 141 HG3 GLU 18 HG1 GLU 18 -6.550 2.829 4.587 142 H ILE 19 HN ILE 19 -3.323 1.616 2.875 143 HA ILE 19 HA ILE 19 -4.840 3.022 0.987 144 HB ILE 19 HB ILE 19 -2.122 1.754 0.473 145 HG12 ILE 19 HG12 ILE 19 -2.726 4.517 1.562 146 HG13 ILE 19 HG11 ILE 19 -2.145 3.168 2.531 147 HG21 ILE 19 HG21 ILE 19 -3.468 4.147 -0.776 148 HG22 ILE 19 HG22 ILE 19 -3.247 2.567 -1.534 149 HG23 ILE 19 HG23 ILE 19 -1.840 3.570 -1.159 150 HD11 ILE 19 HD11 ILE 19 -0.333 4.688 1.970 151 HD12 ILE 19 HD12 ILE 19 -0.672 4.478 0.253 152 HD13 ILE 19 HD13 ILE 19 -0.084 3.117 1.206 153 H ALA 20 HN ALA 20 -3.448 -0.210 0.882 154 HA ALA 20 HA ALA 20 -4.392 -0.946 -1.646 155 HB1 ALA 20 HB1 ALA 20 -3.916 -3.238 -0.950 156 HB2 ALA 20 HB2 ALA 20 -3.791 -2.712 0.728 157 HB3 ALA 20 HB3 ALA 20 -2.613 -2.155 -0.460 158 H HIS 21 HN HIS 21 -5.766 -1.456 1.603 159 HA HIS 21 HA HIS 21 -8.040 -2.882 0.897 160 HB2 HIS 21 HB2 HIS 21 -7.617 -2.714 3.221 161 HB3 HIS 21 HB1 HIS 21 -7.491 -0.954 3.125 162 HD1 HIS 21 HD1 HIS 21 -9.383 0.162 4.179 163 HD2 HIS 21 HD2 HIS 21 -10.543 -3.484 2.576 164 HE1 HIS 21 HE1 HIS 21 -11.852 -0.019 4.617 165 HE2 HIS 21 HE2 HIS 21 -12.539 -1.976 3.251 166 H GLU 22 HN GLU 22 -7.656 0.612 1.043 167 HA GLU 22 HA GLU 22 -10.256 1.314 0.302 168 HB2 GLU 22 HB2 GLU 22 -7.659 2.686 -0.276 169 HB3 GLU 22 HB1 GLU 22 -9.249 3.440 -0.341 170 HG2 GLU 22 HG2 GLU 22 -7.990 2.289 2.143 171 HG3 GLU 22 HG1 GLU 22 -8.012 3.996 1.715 172 H LEU 23 HN LEU 23 -7.349 0.807 -1.641 173 HA LEU 23 HA LEU 23 -8.253 1.390 -4.211 174 HB2 LEU 23 HB2 LEU 23 -5.927 1.044 -3.609 175 HB3 LEU 23 HB1 LEU 23 -6.241 -0.620 -3.208 176 HG LEU 23 HG LEU 23 -6.486 -1.171 -5.627 177 HD11 LEU 23 HD11 LEU 23 -5.892 1.761 -6.040 178 HD12 LEU 23 HD12 LEU 23 -7.452 0.992 -6.334 179 HD13 LEU 23 HD13 LEU 23 -6.045 0.528 -7.289 180 HD21 LEU 23 HD21 LEU 23 -4.191 -0.732 -6.236 181 HD22 LEU 23 HD22 LEU 23 -4.317 -1.208 -4.536 182 HD23 LEU 23 HD23 LEU 23 -4.082 0.486 -4.959 183 H PHE 24 HN PHE 24 -8.313 -1.617 -2.458 184 HA PHE 24 HA PHE 24 -9.493 -3.078 -4.631 185 HB2 PHE 24 HB2 PHE 24 -8.887 -3.848 -1.791 186 HB3 PHE 24 HB1 PHE 24 -9.715 -4.930 -2.904 187 HD1 PHE 24 HD1 PHE 24 -6.617 -2.941 -2.528 188 HD2 PHE 24 HD2 PHE 24 -8.506 -6.261 -4.324 189 HE1 PHE 24 HE1 PHE 24 -4.457 -3.669 -3.416 190 HE2 PHE 24 HE2 PHE 24 -6.344 -7.000 -5.200 191 HZ PHE 24 HZ PHE 24 -4.337 -5.714 -4.760 192 H GLU 25 HN GLU 25 -10.632 -1.569 -1.720 193 HA GLU 25 HA GLU 25 -13.221 -2.705 -1.891 194 HB2 GLU 25 HB2 GLU 25 -12.110 -1.808 0.202 195 HB3 GLU 25 HB1 GLU 25 -12.418 -0.206 -0.431 196 HG2 GLU 25 HG2 GLU 25 -14.751 -0.492 -0.304 197 HG3 GLU 25 HG1 GLU 25 -14.577 -2.216 0.014 198 H GLU 26 HN GLU 26 -11.679 0.072 -3.323 199 HA GLU 26 HA GLU 26 -14.245 1.081 -4.082 200 HB2 GLU 26 HB2 GLU 26 -13.152 3.084 -4.836 201 HB3 GLU 26 HB1 GLU 26 -12.379 2.539 -3.354 202 HG2 GLU 26 HG2 GLU 26 -10.626 3.283 -4.632 203 HG3 GLU 26 HG1 GLU 26 -10.594 1.536 -4.841 204 H HIS 27 HN HIS 27 -11.887 -0.976 -5.483 205 HA HIS 27 HA HIS 27 -13.217 -0.793 -8.069 206 HB2 HIS 27 HB2 HIS 27 -11.029 -2.655 -7.122 207 HB3 HIS 27 HB1 HIS 27 -11.824 -2.866 -8.669 208 HD1 HIS 27 HD1 HIS 27 -11.542 -0.623 -10.327 209 HD2 HIS 27 HD2 HIS 27 -8.841 -1.101 -7.202 210 HE1 HIS 27 HE1 HIS 27 -9.546 0.751 -10.927 211 HE2 HIS 27 HE2 HIS 27 -8.162 0.731 -8.877 212 H LYS 28 HN LYS 28 -13.170 -2.897 -5.285 213 HA LYS 28 HA LYS 28 -14.530 -4.427 -4.479 214 HB2 LYS 28 HB2 LYS 28 -16.446 -3.376 -6.561 215 HB3 LYS 28 HB1 LYS 28 -16.903 -4.602 -5.376 216 HG2 LYS 28 HG2 LYS 28 -16.460 -3.088 -3.578 217 HG3 LYS 28 HG1 LYS 28 -15.807 -1.893 -4.691 218 HD2 LYS 28 HD2 LYS 28 -17.998 -1.637 -5.716 219 HD3 LYS 28 HD1 LYS 28 -18.661 -2.867 -4.628 220 HE2 LYS 28 HE2 LYS 28 -18.183 -1.480 -2.711 221 HE3 LYS 28 HE1 LYS 28 -17.356 -0.309 -3.733 222 HZ1 LYS 28 HZ1 LYS 28 -20.245 -0.963 -3.945 223 HZ2 LYS 28 HZ2 LYS 28 -19.369 0.214 -4.808 224 HZ3 LYS 28 HZ3 LYS 28 -19.590 0.390 -3.156 225 H LYS 29 HN LYS 29 -12.804 -4.851 -6.893 226 HA LYS 29 HA LYS 29 -13.572 -7.622 -7.331 227 HB2 LYS 29 HB2 LYS 29 -12.302 -5.754 -9.356 228 HB3 LYS 29 HB1 LYS 29 -12.406 -7.490 -9.557 229 HG2 LYS 29 HG2 LYS 29 -14.934 -7.138 -9.360 230 HG3 LYS 29 HG1 LYS 29 -14.569 -5.435 -9.672 231 HD2 LYS 29 HD2 LYS 29 -13.870 -7.787 -11.439 232 HD3 LYS 29 HD1 LYS 29 -15.116 -6.586 -11.745 233 HE2 LYS 29 HE2 LYS 29 -13.470 -4.871 -12.038 234 HE3 LYS 29 HE1 LYS 29 -12.177 -5.948 -11.508 235 HZ1 LYS 29 HZ1 LYS 29 -12.576 -7.324 -13.426 236 HZ2 LYS 29 HZ2 LYS 29 -12.264 -5.744 -13.937 237 HZ3 LYS 29 HZ3 LYS 29 -13.828 -6.346 -13.956 238 HA PRO 30 HA PRO 30 -9.506 -8.283 -5.761 239 HB2 PRO 30 HB2 PRO 30 -8.820 -10.543 -7.096 240 HB3 PRO 30 HB1 PRO 30 -9.966 -10.533 -5.752 241 HG2 PRO 30 HG2 PRO 30 -10.506 -10.526 -8.701 242 HG3 PRO 30 HG1 PRO 30 -11.267 -11.508 -7.435 243 HD2 PRO 30 HD2 PRO 30 -12.452 -9.320 -8.410 244 HD3 PRO 30 HD1 PRO 30 -12.577 -9.755 -6.691 245 H VAL 31 HN VAL 31 -7.456 -7.800 -6.329 246 HA VAL 31 HA VAL 31 -6.951 -7.319 -9.171 247 HB VAL 31 HB VAL 31 -5.977 -5.607 -6.842 248 HG11 VAL 31 HG11 VAL 31 -5.584 -5.231 -9.791 249 HG12 VAL 31 HG12 VAL 31 -4.352 -5.666 -8.607 250 HG13 VAL 31 HG13 VAL 31 -5.121 -4.080 -8.540 251 HG21 VAL 31 HG21 VAL 31 -7.373 -3.819 -7.755 252 HG22 VAL 31 HG22 VAL 31 -8.340 -5.209 -7.256 253 HG23 VAL 31 HG23 VAL 31 -8.013 -4.930 -8.967 254 HA PRO 32 HA PRO 32 -3.557 -10.167 -8.351 255 HB2 PRO 32 HB2 PRO 32 -2.414 -8.722 -10.693 256 HB3 PRO 32 HB1 PRO 32 -2.603 -10.460 -10.429 257 HG2 PRO 32 HG2 PRO 32 -4.218 -9.197 -12.099 258 HG3 PRO 32 HG1 PRO 32 -4.845 -10.446 -11.006 259 HD2 PRO 32 HD2 PRO 32 -5.052 -7.473 -10.798 260 HD3 PRO 32 HD1 PRO 32 -6.246 -8.735 -10.418 261 H PHE 33 HN PHE 33 -1.365 -9.997 -7.647 262 HA PHE 33 HA PHE 33 -0.895 -7.738 -6.061 263 HB2 PHE 33 HB2 PHE 33 -0.053 -10.074 -5.607 264 HB3 PHE 33 HB1 PHE 33 1.167 -9.803 -6.857 265 HD1 PHE 33 HD1 PHE 33 0.043 -8.881 -3.473 266 HD2 PHE 33 HD2 PHE 33 3.081 -8.388 -6.426 267 HE1 PHE 33 HE1 PHE 33 1.511 -7.886 -1.792 268 HE2 PHE 33 HE2 PHE 33 4.554 -7.385 -4.731 269 HZ PHE 33 HZ PHE 33 3.765 -7.135 -2.407 270 H GLN 34 HN GLN 34 0.319 -8.694 -9.174 271 HA GLN 34 HA GLN 34 2.185 -6.584 -9.351 272 HB2 GLN 34 HB2 GLN 34 1.063 -8.490 -11.365 273 HB3 GLN 34 HB1 GLN 34 2.164 -7.197 -11.828 274 HG2 GLN 34 HG2 GLN 34 2.911 -9.045 -9.611 275 HG3 GLN 34 HG1 GLN 34 3.095 -9.568 -11.286 276 HE21 GLN 34 HE21 GLN 34 3.574 -6.175 -10.414 277 HE22 GLN 34 HE22 GLN 34 5.269 -6.220 -10.612 278 H GLU 35 HN GLU 35 -1.289 -6.703 -10.025 279 HA GLU 35 HA GLU 35 -1.039 -4.365 -11.662 280 HB2 GLU 35 HB2 GLU 35 -3.517 -5.736 -10.634 281 HB3 GLU 35 HB1 GLU 35 -3.514 -4.328 -11.682 282 HG2 GLU 35 HG2 GLU 35 -2.142 -5.813 -13.281 283 HG3 GLU 35 HG1 GLU 35 -2.750 -7.143 -12.296 284 H LEU 36 HN LEU 36 -1.968 -5.260 -8.410 285 HA LEU 36 HA LEU 36 -2.807 -2.697 -7.630 286 HB2 LEU 36 HB2 LEU 36 -2.689 -3.463 -5.337 287 HB3 LEU 36 HB1 LEU 36 -3.277 -4.765 -6.324 288 HG LEU 36 HG LEU 36 -0.855 -5.678 -6.245 289 HD11 LEU 36 HD11 LEU 36 -0.709 -3.853 -3.862 290 HD12 LEU 36 HD12 LEU 36 0.248 -3.736 -5.337 291 HD13 LEU 36 HD13 LEU 36 0.446 -5.128 -4.273 292 HD21 LEU 36 HD21 LEU 36 -1.250 -6.809 -4.104 293 HD22 LEU 36 HD22 LEU 36 -2.679 -6.800 -5.128 294 HD23 LEU 36 HD23 LEU 36 -2.557 -5.682 -3.759 295 H LEU 37 HN LEU 37 0.288 -4.203 -7.876 296 HA LEU 37 HA LEU 37 1.810 -2.294 -6.539 297 HB2 LEU 37 HB2 LEU 37 2.633 -4.491 -7.052 298 HB3 LEU 37 HB1 LEU 37 2.493 -4.197 -8.771 299 HG LEU 37 HG LEU 37 4.329 -2.643 -8.707 300 HD11 LEU 37 HD11 LEU 37 5.582 -2.268 -6.608 301 HD12 LEU 37 HD12 LEU 37 4.312 -3.143 -5.736 302 HD13 LEU 37 HD13 LEU 37 3.941 -1.630 -6.551 303 HD21 LEU 37 HD21 LEU 37 4.871 -5.004 -8.929 304 HD22 LEU 37 HD22 LEU 37 4.943 -5.158 -7.173 305 HD23 LEU 37 HD23 LEU 37 6.127 -4.162 -8.017 306 H ASN 38 HN ASN 38 0.935 -2.591 -9.952 307 HA ASN 38 HA ASN 38 2.211 -0.185 -10.709 308 HB2 ASN 38 HB2 ASN 38 0.131 -1.895 -12.042 309 HB3 ASN 38 HB1 ASN 38 0.551 -0.325 -12.726 310 HD21 ASN 38 HD21 ASN 38 0.985 -3.097 -13.685 311 HD22 ASN 38 HD22 ASN 38 2.678 -3.198 -14.021 312 H GLU 39 HN GLU 39 -1.069 -0.871 -9.625 313 HA GLU 39 HA GLU 39 -2.258 1.640 -10.003 314 HB2 GLU 39 HB2 GLU 39 -2.663 -0.331 -7.747 315 HB3 GLU 39 HB1 GLU 39 -3.705 1.041 -8.057 316 HG2 GLU 39 HG2 GLU 39 -3.264 -1.284 -9.914 317 HG3 GLU 39 HG1 GLU 39 -4.640 -1.079 -8.834 318 H ILE 40 HN ILE 40 -0.694 0.335 -7.111 319 HA ILE 40 HA ILE 40 -0.919 2.690 -5.595 320 HB ILE 40 HB ILE 40 0.897 0.286 -5.161 321 HG12 ILE 40 HG12 ILE 40 -1.783 0.964 -3.929 322 HG13 ILE 40 HG11 ILE 40 -1.528 -0.219 -5.206 323 HG21 ILE 40 HG21 ILE 40 1.715 2.206 -3.898 324 HG22 ILE 40 HG22 ILE 40 1.002 1.012 -2.812 325 HG23 ILE 40 HG23 ILE 40 0.103 2.470 -3.229 326 HD11 ILE 40 HD11 ILE 40 -0.154 -1.552 -3.690 327 HD12 ILE 40 HD12 ILE 40 -1.773 -1.293 -3.041 328 HD13 ILE 40 HD13 ILE 40 -0.410 -0.365 -2.410 329 H ALA 41 HN ALA 41 1.766 1.389 -7.532 330 HA ALA 41 HA ALA 41 3.570 3.382 -6.656 331 HB1 ALA 41 HB1 ALA 41 5.052 2.643 -8.384 332 HB2 ALA 41 HB2 ALA 41 3.743 1.705 -9.137 333 HB3 ALA 41 HB3 ALA 41 4.336 1.287 -7.520 334 H SER 42 HN SER 42 1.290 3.329 -9.328 335 HA SER 42 HA SER 42 2.288 5.808 -10.362 336 HB2 SER 42 HB2 SER 42 0.996 4.195 -11.782 337 HB3 SER 42 HB1 SER 42 -0.423 4.496 -10.788 338 HG SER 42 HG SER 42 0.465 6.848 -11.567 339 H LEU 43 HN LEU 43 -0.165 4.868 -8.086 340 HA LEU 43 HA LEU 43 -1.442 7.324 -7.675 341 HB2 LEU 43 HB2 LEU 43 -2.236 5.114 -6.918 342 HB3 LEU 43 HB1 LEU 43 -0.931 5.054 -5.757 343 HG LEU 43 HG LEU 43 -1.928 7.029 -4.624 344 HD11 LEU 43 HD11 LEU 43 -4.212 7.640 -5.138 345 HD12 LEU 43 HD12 LEU 43 -4.231 6.512 -6.494 346 HD13 LEU 43 HD13 LEU 43 -3.174 7.922 -6.533 347 HD21 LEU 43 HD21 LEU 43 -2.311 4.763 -3.830 348 HD22 LEU 43 HD22 LEU 43 -3.692 4.606 -4.917 349 HD23 LEU 43 HD23 LEU 43 -3.738 5.769 -3.591 350 H LEU 44 HN LEU 44 1.211 5.783 -5.906 351 HA LEU 44 HA LEU 44 1.852 8.172 -4.423 352 HB2 LEU 44 HB2 LEU 44 3.301 5.555 -4.851 353 HB3 LEU 44 HB1 LEU 44 4.040 6.892 -4.017 354 HG LEU 44 HG LEU 44 2.376 6.694 -2.218 355 HD11 LEU 44 HD11 LEU 44 1.411 4.286 -3.730 356 HD12 LEU 44 HD12 LEU 44 0.525 5.790 -3.575 357 HD13 LEU 44 HD13 LEU 44 0.848 4.802 -2.136 358 HD21 LEU 44 HD21 LEU 44 3.782 4.154 -2.967 359 HD22 LEU 44 HD22 LEU 44 3.156 4.529 -1.360 360 HD23 LEU 44 HD23 LEU 44 4.464 5.500 -2.052 361 H GLY 45 HN GLY 45 2.800 9.806 -5.420 362 HA2 GLY 45 HA2 GLY 45 4.047 9.664 -7.970 363 HA3 GLY 45 HA1 GLY 45 4.207 11.010 -6.854 364 H VAL 46 HN VAL 46 5.380 7.693 -7.215 365 HA VAL 46 HA VAL 46 8.122 8.585 -6.563 366 HB VAL 46 HB VAL 46 8.501 6.471 -5.314 367 HG11 VAL 46 HG11 VAL 46 7.336 7.056 -3.250 368 HG12 VAL 46 HG12 VAL 46 6.314 8.170 -4.161 369 HG13 VAL 46 HG13 VAL 46 8.048 8.463 -4.039 370 HG21 VAL 46 HG21 VAL 46 6.756 5.086 -6.261 371 HG22 VAL 46 HG22 VAL 46 5.513 6.108 -5.556 372 HG23 VAL 46 HG23 VAL 46 6.564 5.150 -4.507 373 H LYS 47 HN LYS 47 9.661 6.707 -7.040 374 HA LYS 47 HA LYS 47 8.873 5.415 -9.505 375 HB2 LYS 47 HB2 LYS 47 11.204 4.684 -9.686 376 HB3 LYS 47 HB1 LYS 47 11.156 6.408 -9.404 377 HG2 LYS 47 HG2 LYS 47 11.826 6.027 -7.062 378 HG3 LYS 47 HG1 LYS 47 11.857 4.282 -7.368 379 HD2 LYS 47 HD2 LYS 47 13.499 4.692 -9.190 380 HD3 LYS 47 HD1 LYS 47 13.559 6.386 -8.716 381 HE2 LYS 47 HE2 LYS 47 14.347 4.025 -6.993 382 HE3 LYS 47 HE1 LYS 47 15.457 5.057 -7.880 383 HZ1 LYS 47 HZ1 LYS 47 15.454 5.760 -5.651 384 HZ2 LYS 47 HZ2 LYS 47 13.836 5.706 -5.490 385 HZ3 LYS 47 HZ3 LYS 47 14.555 6.949 -6.419 386 H LYS 48 HN LYS 48 8.568 3.127 -9.613 387 HA LYS 48 HA LYS 48 7.320 2.072 -7.438 388 HB2 LYS 48 HB2 LYS 48 6.883 1.376 -9.694 389 HB3 LYS 48 HB1 LYS 48 8.469 0.613 -9.813 390 HG2 LYS 48 HG2 LYS 48 7.834 -0.922 -8.048 391 HG3 LYS 48 HG1 LYS 48 6.268 -0.143 -7.923 392 HD2 LYS 48 HD2 LYS 48 7.297 -1.577 -10.392 393 HD3 LYS 48 HD1 LYS 48 6.202 -2.269 -9.201 394 HE2 LYS 48 HE2 LYS 48 4.734 -1.559 -10.933 395 HE3 LYS 48 HE1 LYS 48 4.666 -0.257 -9.769 396 HZ1 LYS 48 HZ1 LYS 48 6.308 -0.292 -12.230 397 HZ2 LYS 48 HZ2 LYS 48 6.187 1.040 -11.193 398 HZ3 LYS 48 HZ3 LYS 48 4.854 0.500 -12.047 399 H GLU 49 HN GLU 49 10.678 1.904 -8.197 400 HA GLU 49 HA GLU 49 11.478 -0.340 -6.793 401 HB2 GLU 49 HB2 GLU 49 12.981 2.265 -7.104 402 HB3 GLU 49 HB1 GLU 49 13.702 0.693 -6.755 403 HG2 GLU 49 HG2 GLU 49 12.927 -0.174 -8.879 404 HG3 GLU 49 HG1 GLU 49 12.120 1.344 -9.232 405 H GLU 50 HN GLU 50 10.806 2.904 -5.516 406 HA GLU 50 HA GLU 50 11.712 2.672 -2.844 407 HB2 GLU 50 HB2 GLU 50 9.104 3.980 -3.633 408 HB3 GLU 50 HB1 GLU 50 10.162 4.416 -2.308 409 HG2 GLU 50 HG2 GLU 50 10.731 4.761 -5.222 410 HG3 GLU 50 HG1 GLU 50 10.199 6.032 -4.124 411 H LEU 51 HN LEU 51 8.704 2.024 -4.406 412 HA LEU 51 HA LEU 51 7.370 1.059 -2.123 413 HB2 LEU 51 HB2 LEU 51 6.252 2.298 -3.929 414 HB3 LEU 51 HB1 LEU 51 6.602 0.987 -5.024 415 HG LEU 51 HG LEU 51 5.190 -0.481 -3.570 416 HD11 LEU 51 HD11 LEU 51 3.534 0.612 -2.148 417 HD12 LEU 51 HD12 LEU 51 4.427 2.129 -2.316 418 HD13 LEU 51 HD13 LEU 51 5.183 0.729 -1.550 419 HD21 LEU 51 HD21 LEU 51 3.091 0.358 -4.485 420 HD22 LEU 51 HD22 LEU 51 4.397 0.361 -5.668 421 HD23 LEU 51 HD23 LEU 51 3.892 1.872 -4.907 422 H GLY 52 HN GLY 52 9.469 -0.304 -4.468 423 HA2 GLY 52 HA2 GLY 52 8.527 -2.983 -4.530 424 HA3 GLY 52 HA1 GLY 52 10.150 -2.443 -4.941 425 H ASP 53 HN ASP 53 10.942 -1.307 -2.651 426 HA ASP 53 HA ASP 53 11.706 -3.470 -0.950 427 HB2 ASP 53 HB2 ASP 53 11.722 -0.482 -0.469 428 HB3 ASP 53 HB1 ASP 53 12.390 -1.645 0.664 429 H ARG 54 HN ARG 54 9.412 -0.908 -0.718 430 HA ARG 54 HA ARG 54 8.234 -1.621 1.720 431 HB2 ARG 54 HB2 ARG 54 8.030 0.597 0.759 432 HB3 ARG 54 HB1 ARG 54 7.218 -0.084 -0.634 433 HG2 ARG 54 HG2 ARG 54 5.239 -0.482 0.589 434 HG3 ARG 54 HG1 ARG 54 6.053 -0.170 2.129 435 HD2 ARG 54 HD2 ARG 54 5.911 1.878 -0.038 436 HD3 ARG 54 HD1 ARG 54 4.620 1.757 1.140 437 HE ARG 54 HE ARG 54 6.625 1.954 2.765 438 HH11 ARG 54 HH11 ARG 54 6.176 3.796 -0.211 439 HH12 ARG 54 HH12 ARG 54 7.292 5.031 0.228 440 HH21 ARG 54 HH21 ARG 54 8.068 3.686 3.381 441 HH22 ARG 54 HH22 ARG 54 8.334 4.994 2.337 442 H ILE 55 HN ILE 55 7.923 -3.001 -1.435 443 HA ILE 55 HA ILE 55 5.444 -4.278 -0.952 444 HB ILE 55 HB ILE 55 7.185 -4.030 -3.249 445 HG12 ILE 55 HG12 ILE 55 5.204 -4.520 -4.501 446 HG13 ILE 55 HG11 ILE 55 4.335 -5.022 -3.046 447 HG21 ILE 55 HG21 ILE 55 7.834 -6.347 -2.873 448 HG22 ILE 55 HG22 ILE 55 6.853 -6.194 -4.335 449 HG23 ILE 55 HG23 ILE 55 6.139 -6.831 -2.857 450 HD11 ILE 55 HD11 ILE 55 4.669 -2.645 -2.227 451 HD12 ILE 55 HD12 ILE 55 3.670 -2.809 -3.682 452 HD13 ILE 55 HD13 ILE 55 5.352 -2.330 -3.828 453 H ALA 56 HN ALA 56 8.799 -5.158 -0.557 454 HA ALA 56 HA ALA 56 8.433 -7.849 0.161 455 HB1 ALA 56 HB1 ALA 56 10.415 -5.846 1.264 456 HB2 ALA 56 HB2 ALA 56 10.652 -6.856 -0.163 457 HB3 ALA 56 HB3 ALA 56 10.535 -7.598 1.432 458 H GLN 57 HN GLN 57 8.446 -4.895 2.069 459 HA GLN 57 HA GLN 57 7.653 -6.052 4.529 460 HB2 GLN 57 HB2 GLN 57 8.353 -3.511 3.692 461 HB3 GLN 57 HB1 GLN 57 6.646 -3.332 4.060 462 HG2 GLN 57 HG2 GLN 57 8.735 -4.390 5.961 463 HG3 GLN 57 HG1 GLN 57 8.128 -2.752 5.933 464 HE21 GLN 57 HE21 GLN 57 5.344 -3.513 5.560 465 HE22 GLN 57 HE22 GLN 57 4.838 -4.194 7.057 466 H PHE 58 HN PHE 58 5.920 -4.923 1.729 467 HA PHE 58 HA PHE 58 3.352 -4.907 2.828 468 HB2 PHE 58 HB2 PHE 58 3.999 -3.791 0.656 469 HB3 PHE 58 HB1 PHE 58 4.047 -5.393 -0.067 470 HD1 PHE 58 HD2 PHE 58 1.516 -4.080 2.323 471 HD2 PHE 58 HD1 PHE 58 2.368 -5.245 -1.694 472 HE1 PHE 58 HE2 PHE 58 -0.862 -3.907 1.772 473 HE2 PHE 58 HE1 PHE 58 -0.019 -5.080 -2.231 474 HZ PHE 58 HZ PHE 58 -1.634 -4.407 -0.509 475 H TYR 59 HN TYR 59 5.163 -7.505 1.173 476 HA TYR 59 HA TYR 59 3.137 -9.439 1.232 477 HB2 TYR 59 HB2 TYR 59 6.119 -9.766 1.587 478 HB3 TYR 59 HB1 TYR 59 5.021 -11.134 1.600 479 HD1 TYR 59 HD2 TYR 59 3.626 -11.541 -0.503 480 HD2 TYR 59 HD1 TYR 59 6.962 -8.930 -0.398 481 HE1 TYR 59 HE2 TYR 59 3.847 -11.736 -2.946 482 HE2 TYR 59 HE1 TYR 59 7.202 -9.113 -2.835 483 HH TYR 59 HH TYR 59 6.624 -10.634 -4.588 484 H THR 60 HN THR 60 5.555 -8.659 3.705 485 HA THR 60 HA THR 60 4.745 -10.425 5.682 486 HB THR 60 HB THR 60 5.949 -7.668 5.868 487 HG1 THR 60 HG1 THR 60 7.383 -10.088 6.051 488 HG21 THR 60 HG21 THR 60 5.127 -8.388 8.054 489 HG22 THR 60 HG22 THR 60 6.886 -8.406 8.018 490 HG23 THR 60 HG23 THR 60 5.984 -9.925 7.896 491 H ASP 61 HN ASP 61 3.850 -7.034 5.268 492 HA ASP 61 HA ASP 61 2.161 -6.688 7.490 493 HB2 ASP 61 HB2 ASP 61 3.307 -4.919 6.094 494 HB3 ASP 61 HB1 ASP 61 2.102 -5.204 4.854 495 H LEU 62 HN LEU 62 1.486 -7.451 4.131 496 HA LEU 62 HA LEU 62 -1.342 -7.324 4.293 497 HB2 LEU 62 HB2 LEU 62 0.062 -6.929 2.297 498 HB3 LEU 62 HB1 LEU 62 0.475 -8.619 2.284 499 HG LEU 62 HG LEU 62 -1.856 -9.172 1.742 500 HD11 LEU 62 HD11 LEU 62 -2.163 -6.174 1.644 501 HD12 LEU 62 HD12 LEU 62 -2.937 -7.252 2.816 502 HD13 LEU 62 HD13 LEU 62 -3.355 -7.352 1.104 503 HD21 LEU 62 HD21 LEU 62 -0.200 -8.828 -0.005 504 HD22 LEU 62 HD22 LEU 62 -0.578 -7.103 -0.031 505 HD23 LEU 62 HD23 LEU 62 -1.795 -8.281 -0.520 506 H ASN 63 HN ASN 63 1.047 -9.943 4.532 507 HA ASN 63 HA ASN 63 -0.836 -12.059 4.268 508 HB2 ASN 63 HB2 ASN 63 1.698 -12.230 3.941 509 HB3 ASN 63 HB1 ASN 63 1.829 -12.290 5.690 510 HD21 ASN 63 HD21 ASN 63 1.035 -13.994 2.840 511 HD22 ASN 63 HD22 ASN 63 0.747 -15.544 3.528 512 H ILE 64 HN ILE 64 0.159 -10.108 6.981 513 HA ILE 64 HA ILE 64 -1.150 -11.979 8.773 514 HB ILE 64 HB ILE 64 -0.284 -10.618 10.674 515 HG12 ILE 64 HG12 ILE 64 1.738 -9.097 10.104 516 HG13 ILE 64 HG11 ILE 64 1.070 -9.021 8.483 517 HG21 ILE 64 HG21 ILE 64 1.771 -11.676 8.764 518 HG22 ILE 64 HG22 ILE 64 0.878 -12.583 9.984 519 HG23 ILE 64 HG23 ILE 64 2.044 -11.357 10.477 520 HD11 ILE 64 HD11 ILE 64 0.470 -7.061 9.787 521 HD12 ILE 64 HD12 ILE 64 -0.285 -8.087 11.009 522 HD13 ILE 64 HD13 ILE 64 -0.968 -8.001 9.386 523 H ASP 65 HN ASP 65 -2.303 -9.765 6.891 524 HA ASP 65 HA ASP 65 -4.064 -8.420 8.777 525 HB2 ASP 65 HB2 ASP 65 -3.170 -7.074 6.949 526 HB3 ASP 65 HB1 ASP 65 -3.753 -8.232 5.763 527 H GLY 66 HN GLY 66 -6.408 -8.654 8.671 528 HA2 GLY 66 HA2 GLY 66 -7.183 -11.317 7.652 529 HA3 GLY 66 HA1 GLY 66 -7.859 -10.566 9.112 530 H ARG 67 HN ARG 67 -7.620 -8.174 6.872 531 HA ARG 67 HA ARG 67 -10.420 -8.562 6.146 532 HB2 ARG 67 HB2 ARG 67 -10.350 -6.079 5.519 533 HB3 ARG 67 HB1 ARG 67 -10.175 -6.436 7.231 534 HG2 ARG 67 HG2 ARG 67 -7.702 -6.242 6.899 535 HG3 ARG 67 HG1 ARG 67 -8.044 -5.655 5.280 536 HD2 ARG 67 HD2 ARG 67 -9.099 -3.714 6.110 537 HD3 ARG 67 HD1 ARG 67 -9.174 -4.370 7.749 538 HE ARG 67 HE ARG 67 -6.551 -4.411 7.208 539 HH11 ARG 67 HH11 ARG 67 -8.946 -1.765 6.985 540 HH12 ARG 67 HH12 ARG 67 -7.866 -0.526 7.397 541 HH21 ARG 67 HH21 ARG 67 -5.074 -2.680 7.934 542 HH22 ARG 67 HH22 ARG 67 -5.623 -1.074 8.031 543 H PHE 68 HN PHE 68 -7.245 -8.259 4.917 544 HA PHE 68 HA PHE 68 -8.077 -8.391 2.179 545 HB2 PHE 68 HB2 PHE 68 -5.608 -7.950 3.623 546 HB3 PHE 68 HB1 PHE 68 -5.414 -9.082 2.284 547 HD1 PHE 68 HD1 PHE 68 -5.768 -8.424 0.041 548 HD2 PHE 68 HD2 PHE 68 -6.242 -5.669 3.229 549 HE1 PHE 68 HE1 PHE 68 -5.740 -6.584 -1.566 550 HE2 PHE 68 HE2 PHE 68 -6.215 -3.819 1.625 551 HZ PHE 68 HZ PHE 68 -5.968 -4.295 -0.789 552 H LEU 69 HN LEU 69 -7.870 -10.091 0.894 553 HA LEU 69 HA LEU 69 -7.274 -12.664 2.120 554 HB2 LEU 69 HB2 LEU 69 -9.641 -12.396 2.256 555 HB3 LEU 69 HB1 LEU 69 -9.756 -11.894 0.596 556 HG LEU 69 HG LEU 69 -9.065 -14.195 -0.084 557 HD11 LEU 69 HD11 LEU 69 -9.137 -15.968 1.573 558 HD12 LEU 69 HD12 LEU 69 -9.377 -14.775 2.849 559 HD13 LEU 69 HD13 LEU 69 -7.866 -14.803 1.943 560 HD21 LEU 69 HD21 LEU 69 -11.406 -13.527 0.000 561 HD22 LEU 69 HD22 LEU 69 -11.482 -14.015 1.697 562 HD23 LEU 69 HD23 LEU 69 -11.198 -15.219 0.445 563 H ALA 70 HN ALA 70 -5.780 -13.642 0.750 564 HA ALA 70 HA ALA 70 -5.697 -12.815 -2.022 565 HB1 ALA 70 HB1 ALA 70 -3.997 -14.595 -2.305 566 HB2 ALA 70 HB2 ALA 70 -4.165 -15.036 -0.614 567 HB3 ALA 70 HB3 ALA 70 -3.517 -13.443 -1.057 568 H LEU 71 HN LEU 71 -6.909 -13.685 -3.428 569 HA LEU 71 HA LEU 71 -8.525 -15.908 -2.722 570 HB2 LEU 71 HB2 LEU 71 -8.123 -14.818 -5.516 571 HB3 LEU 71 HB1 LEU 71 -9.527 -15.644 -4.873 572 HG LEU 71 HG LEU 71 -8.651 -12.801 -4.501 573 HD11 LEU 71 HD11 LEU 71 -10.886 -12.303 -5.241 574 HD12 LEU 71 HD12 LEU 71 -11.191 -14.026 -5.451 575 HD13 LEU 71 HD13 LEU 71 -9.944 -13.218 -6.416 576 HD21 LEU 71 HD21 LEU 71 -10.776 -14.178 -2.833 577 HD22 LEU 71 HD22 LEU 71 -10.526 -12.439 -2.947 578 HD23 LEU 71 HD23 LEU 71 -9.268 -13.459 -2.254 579 H SER 72 HN SER 72 -8.421 -17.719 -4.736 580 HA SER 72 HA SER 72 -6.179 -19.179 -3.908 581 HB2 SER 72 HB2 SER 72 -8.062 -19.694 -6.176 582 HB3 SER 72 HB1 SER 72 -6.993 -20.883 -5.425 583 HG SER 72 HG SER 72 -8.100 -20.192 -3.400 584 H ASP 73 HN ASP 73 -6.448 -16.940 -6.463 585 HA ASP 73 HA ASP 73 -4.100 -18.085 -7.778 586 HB2 ASP 73 HB2 ASP 73 -6.024 -15.976 -8.764 587 HB3 ASP 73 HB1 ASP 73 -4.561 -16.431 -9.621 588 H GLN 74 HN GLN 74 -4.259 -16.453 -5.280 589 HA GLN 74 HA GLN 74 -2.875 -15.117 -4.141 590 HB2 GLN 74 HB2 GLN 74 -1.151 -15.117 -6.637 591 HB3 GLN 74 HB1 GLN 74 -0.748 -14.186 -5.211 592 HG2 GLN 74 HG2 GLN 74 0.549 -16.155 -5.121 593 HG3 GLN 74 HG1 GLN 74 -0.718 -16.337 -3.921 594 HE21 GLN 74 HE21 GLN 74 -1.125 -16.799 -7.379 595 HE22 GLN 74 HE22 GLN 74 -1.456 -18.489 -7.277 596 H THR 75 HN THR 75 -4.587 -14.270 -6.673 597 HA THR 75 HA THR 75 -4.312 -11.529 -6.945 598 HB THR 75 HB THR 75 -6.924 -13.035 -6.883 599 HG1 THR 75 HG1 THR 75 -6.203 -13.432 -9.216 600 HG21 THR 75 HG21 THR 75 -6.852 -10.601 -7.379 601 HG22 THR 75 HG22 THR 75 -7.473 -11.573 -8.719 602 HG23 THR 75 HG23 THR 75 -5.817 -10.957 -8.762 603 H TRP 76 HN TRP 76 -4.796 -9.926 -5.407 604 HA TRP 76 HA TRP 76 -5.810 -10.966 -2.910 605 HB2 TRP 76 HB2 TRP 76 -4.321 -8.425 -3.567 606 HB3 TRP 76 HB1 TRP 76 -5.032 -8.747 -1.991 607 HD1 TRP 76 HD1 TRP 76 -2.130 -9.792 -4.232 608 HE1 TRP 76 HE1 TRP 76 -0.454 -11.154 -2.859 609 HE3 TRP 76 HE3 TRP 76 -4.842 -10.280 0.079 610 HZ2 TRP 76 HZ2 TRP 76 -0.287 -12.298 -0.231 611 HZ3 TRP 76 HZ3 TRP 76 -3.852 -11.506 1.965 612 HH2 TRP 76 HH2 TRP 76 -1.627 -12.492 1.806 613 H GLY 77 HN GLY 77 -7.432 -10.038 -1.856 614 HA2 GLY 77 HA2 GLY 77 -8.809 -7.803 -2.932 615 HA3 GLY 77 HA1 GLY 77 -9.671 -9.339 -3.086 616 H LEU 78 HN LEU 78 -11.207 -8.641 -1.671 617 HA LEU 78 HA LEU 78 -10.266 -8.327 1.082 618 HB2 LEU 78 HB2 LEU 78 -12.842 -7.340 -0.125 619 HB3 LEU 78 HB1 LEU 78 -12.370 -7.171 1.552 620 HG LEU 78 HG LEU 78 -11.036 -5.865 -0.813 621 HD11 LEU 78 HD11 LEU 78 -12.701 -4.732 1.419 622 HD12 LEU 78 HD12 LEU 78 -13.184 -4.905 -0.270 623 HD13 LEU 78 HD13 LEU 78 -11.873 -3.809 0.166 624 HD21 LEU 78 HD21 LEU 78 -10.401 -5.668 2.137 625 HD22 LEU 78 HD22 LEU 78 -9.709 -4.651 0.872 626 HD23 LEU 78 HD23 LEU 78 -9.374 -6.379 0.889 627 H ARG 79 HN ARG 79 -11.114 -9.518 2.600 628 HA ARG 79 HA ARG 79 -12.179 -12.023 1.836 629 HB2 ARG 79 HB2 ARG 79 -10.739 -11.912 3.762 630 HB3 ARG 79 HB1 ARG 79 -11.770 -10.713 4.509 631 HG2 ARG 79 HG2 ARG 79 -13.515 -12.333 4.829 632 HG3 ARG 79 HG1 ARG 79 -12.578 -13.546 3.959 633 HD2 ARG 79 HD2 ARG 79 -10.941 -13.614 5.599 634 HD3 ARG 79 HD1 ARG 79 -11.548 -12.181 6.423 635 HE ARG 79 HE ARG 79 -13.585 -14.029 6.409 636 HH11 ARG 79 HH11 ARG 79 -10.268 -13.887 7.690 637 HH12 ARG 79 HH12 ARG 79 -10.555 -15.104 8.837 638 HH21 ARG 79 HH21 ARG 79 -13.957 -15.587 8.079 639 HH22 ARG 79 HH22 ARG 79 -12.696 -16.045 9.130 640 H SER 80 HN SER 80 -13.545 -9.063 2.950 641 HA SER 80 HA SER 80 -15.942 -10.098 3.944 642 HB2 SER 80 HB2 SER 80 -15.003 -7.914 4.604 643 HB3 SER 80 HB1 SER 80 -15.376 -7.280 3.002 644 HG SER 80 HG SER 80 -17.455 -8.487 4.315 645 H TRP 81 HN TRP 81 -15.018 -10.168 0.789 646 HA TRP 81 HA TRP 81 -17.589 -9.508 -0.393 647 HB2 TRP 81 HB2 TRP 81 -15.168 -10.797 -1.619 648 HB3 TRP 81 HB1 TRP 81 -16.606 -10.286 -2.479 649 HD1 TRP 81 HD1 TRP 81 -16.718 -7.344 -0.959 650 HE1 TRP 81 HE1 TRP 81 -15.068 -5.587 -1.805 651 HE3 TRP 81 HE3 TRP 81 -13.338 -10.489 -3.176 652 HZ2 TRP 81 HZ2 TRP 81 -12.621 -5.536 -3.255 653 HZ3 TRP 81 HZ3 TRP 81 -11.392 -9.496 -4.283 654 HH2 TRP 81 HH2 TRP 81 -11.037 -7.077 -4.318 655 H TYR 82 HN TYR 82 -15.952 -12.278 0.910 656 HA TYR 82 HA TYR 82 -17.940 -14.101 -0.250 657 HB2 TYR 82 HB2 TYR 82 -14.985 -14.682 -0.191 658 HB3 TYR 82 HB1 TYR 82 -16.231 -15.642 -0.954 659 HD1 TYR 82 HD2 TYR 82 -17.377 -14.490 -3.075 660 HD2 TYR 82 HD1 TYR 82 -13.665 -13.298 -1.374 661 HE1 TYR 82 HE2 TYR 82 -16.709 -13.490 -5.225 662 HE2 TYR 82 HE1 TYR 82 -12.976 -12.332 -3.463 663 HH TYR 82 HH TYR 82 -15.099 -11.792 -6.113 Start of MODEL 10 1 H1 GLY 2 HT1 GLY 2 -12.570 6.837 0.611 2 H2 GLY 2 HT2 GLY 2 -12.338 5.434 -0.260 3 H3 GLY 2 HT3 GLY 2 -13.776 6.336 -0.469 4 HA2 GLY 2 HA1 GLY 2 -12.303 6.732 -2.325 5 HA3 GLY 2 HA2 GLY 2 -12.441 8.181 -1.334 6 H ILE 3 HN ILE 3 -10.349 6.129 -2.827 7 HA ILE 3 HA ILE 3 -8.211 6.569 -0.880 8 HB ILE 3 HB ILE 3 -8.351 4.347 -1.192 9 HG12 ILE 3 HG12 ILE 3 -6.220 5.326 -3.084 10 HG13 ILE 3 HG11 ILE 3 -6.056 4.999 -1.365 11 HG21 ILE 3 HG21 ILE 3 -9.895 4.206 -3.057 12 HG22 ILE 3 HG22 ILE 3 -8.514 3.163 -3.396 13 HG23 ILE 3 HG23 ILE 3 -8.645 4.738 -4.178 14 HD11 ILE 3 HD11 ILE 3 -6.591 2.963 -3.497 15 HD12 ILE 3 HD12 ILE 3 -6.364 2.663 -1.766 16 HD13 ILE 3 HD13 ILE 3 -5.030 3.291 -2.738 17 H LYS 4 HN LYS 4 -8.868 6.837 -4.333 18 HA LYS 4 HA LYS 4 -6.191 7.535 -4.869 19 HB2 LYS 4 HB2 LYS 4 -8.646 7.543 -6.596 20 HB3 LYS 4 HB1 LYS 4 -7.053 7.973 -7.196 21 HG2 LYS 4 HG2 LYS 4 -6.217 5.747 -6.650 22 HG3 LYS 4 HG1 LYS 4 -7.782 5.309 -5.966 23 HD2 LYS 4 HD2 LYS 4 -8.827 5.634 -8.160 24 HD3 LYS 4 HD1 LYS 4 -7.273 6.083 -8.839 25 HE2 LYS 4 HE2 LYS 4 -7.910 3.404 -7.610 26 HE3 LYS 4 HE1 LYS 4 -7.938 3.748 -9.336 27 HZ1 LYS 4 HZ1 LYS 4 -5.535 4.286 -9.183 28 HZ2 LYS 4 HZ2 LYS 4 -5.899 2.702 -8.784 29 HZ3 LYS 4 HZ3 LYS 4 -5.535 3.811 -7.562 30 H GLN 5 HN GLN 5 -8.609 9.288 -3.608 31 HA GLN 5 HA GLN 5 -7.830 11.877 -4.632 32 HB2 GLN 5 HB2 GLN 5 -9.503 12.726 -3.029 33 HB3 GLN 5 HB1 GLN 5 -10.147 11.517 -4.132 34 HG2 GLN 5 HG2 GLN 5 -9.696 9.829 -2.285 35 HG3 GLN 5 HG1 GLN 5 -9.480 11.225 -1.232 36 HE21 GLN 5 HE21 GLN 5 -11.584 9.567 -3.298 37 HE22 GLN 5 HE22 GLN 5 -13.097 10.130 -2.673 38 H TYR 6 HN TYR 6 -6.609 9.775 -2.288 39 HA TYR 6 HA TYR 6 -5.686 11.823 -0.470 40 HB2 TYR 6 HB2 TYR 6 -4.766 8.964 -0.861 41 HB3 TYR 6 HB1 TYR 6 -4.130 10.043 0.358 42 HD1 TYR 6 HD1 TYR 6 -5.995 11.003 2.015 43 HD2 TYR 6 HD2 TYR 6 -6.370 7.462 -0.290 44 HE1 TYR 6 HE1 TYR 6 -7.606 10.110 3.651 45 HE2 TYR 6 HE2 TYR 6 -7.956 6.553 1.302 46 HH TYR 6 HH TYR 6 -9.405 8.456 3.727 47 H SER 7 HN SER 7 -3.771 12.906 -0.656 48 HA SER 7 HA SER 7 -2.547 12.710 -3.227 49 HB2 SER 7 HB2 SER 7 -3.022 14.908 -2.162 50 HB3 SER 7 HB1 SER 7 -1.877 14.510 -0.887 51 HG SER 7 HG SER 7 -0.340 15.012 -2.074 52 H GLN 8 HN GLN 8 -0.206 12.757 -3.359 53 HA GLN 8 HA GLN 8 0.571 10.138 -2.732 54 HB2 GLN 8 HB2 GLN 8 2.515 10.503 -4.008 55 HB3 GLN 8 HB1 GLN 8 1.203 11.345 -4.793 56 HG2 GLN 8 HG2 GLN 8 3.149 12.576 -2.968 57 HG3 GLN 8 HG1 GLN 8 3.418 12.520 -4.700 58 HE21 GLN 8 HE21 GLN 8 0.499 12.982 -5.266 59 HE22 GLN 8 HE22 GLN 8 0.216 14.629 -4.907 60 H GLU 9 HN GLU 9 1.338 13.120 -1.061 61 HA GLU 9 HA GLU 9 3.620 12.065 0.274 62 HB2 GLU 9 HB2 GLU 9 3.576 14.046 1.674 63 HB3 GLU 9 HB1 GLU 9 3.255 14.512 0.023 64 HG2 GLU 9 HG2 GLU 9 1.275 14.353 2.275 65 HG3 GLU 9 HG1 GLU 9 1.884 15.802 1.480 66 H GLU 10 HN GLU 10 0.246 12.332 0.977 67 HA GLU 10 HA GLU 10 0.103 11.382 3.586 68 HB2 GLU 10 HB2 GLU 10 -1.635 12.409 2.103 69 HB3 GLU 10 HB1 GLU 10 -1.674 10.844 1.276 70 HG2 GLU 10 HG2 GLU 10 -3.522 10.954 2.842 71 HG3 GLU 10 HG1 GLU 10 -2.323 9.822 3.470 72 H LEU 11 HN LEU 11 -0.259 9.850 0.502 73 HA LEU 11 HA LEU 11 -0.713 7.249 1.285 74 HB2 LEU 11 HB2 LEU 11 0.443 8.375 -1.216 75 HB3 LEU 11 HB1 LEU 11 -0.042 6.702 -1.024 76 HG LEU 11 HG LEU 11 -1.951 9.008 -0.664 77 HD11 LEU 11 HD11 LEU 11 -2.739 8.454 -2.890 78 HD12 LEU 11 HD12 LEU 11 -1.419 7.286 -3.058 79 HD13 LEU 11 HD13 LEU 11 -1.065 9.007 -2.927 80 HD21 LEU 11 HD21 LEU 11 -2.348 6.049 -1.098 81 HD22 LEU 11 HD22 LEU 11 -3.629 7.249 -1.013 82 HD23 LEU 11 HD23 LEU 11 -2.636 6.923 0.406 83 H LYS 12 HN LYS 12 2.420 8.820 0.662 84 HA LYS 12 HA LYS 12 3.804 6.320 0.748 85 HB2 LYS 12 HB2 LYS 12 5.916 7.610 0.852 86 HB3 LYS 12 HB1 LYS 12 4.871 8.121 -0.462 87 HG2 LYS 12 HG2 LYS 12 4.370 10.130 0.539 88 HG3 LYS 12 HG1 LYS 12 4.849 9.581 2.157 89 HD2 LYS 12 HD2 LYS 12 6.494 11.134 1.314 90 HD3 LYS 12 HD1 LYS 12 7.202 9.525 1.337 91 HE2 LYS 12 HE2 LYS 12 6.744 9.319 -1.071 92 HE3 LYS 12 HE1 LYS 12 6.079 10.953 -1.070 93 HZ1 LYS 12 HZ1 LYS 12 8.326 11.094 -1.794 94 HZ2 LYS 12 HZ2 LYS 12 8.861 10.119 -0.548 95 HZ3 LYS 12 HZ3 LYS 12 8.323 11.683 -0.201 96 H GLU 13 HN GLU 13 2.612 8.320 3.259 97 HA GLU 13 HA GLU 13 4.425 6.973 5.125 98 HB2 GLU 13 HB2 GLU 13 3.804 8.774 6.757 99 HB3 GLU 13 HB1 GLU 13 4.737 9.292 5.357 100 HG2 GLU 13 HG2 GLU 13 2.778 10.186 4.319 101 HG3 GLU 13 HG1 GLU 13 1.761 9.534 5.593 102 H MET 14 HN MET 14 1.259 6.917 4.088 103 HA MET 14 HA MET 14 0.183 6.041 6.620 104 HB2 MET 14 HB2 MET 14 -1.040 5.988 3.860 105 HB3 MET 14 HB1 MET 14 -1.853 5.363 5.282 106 HG2 MET 14 HG2 MET 14 -1.635 7.674 6.268 107 HG3 MET 14 HG1 MET 14 -1.102 8.206 4.673 108 HE1 MET 14 HE1 MET 14 -2.627 7.959 2.460 109 HE2 MET 14 HE2 MET 14 -4.285 7.370 2.485 110 HE3 MET 14 HE3 MET 14 -2.957 6.258 2.802 111 H ALA 15 HN ALA 15 -1.088 3.839 6.517 112 HA ALA 15 HA ALA 15 0.895 1.827 6.071 113 HB1 ALA 15 HB1 ALA 15 -2.060 1.597 6.679 114 HB2 ALA 15 HB2 ALA 15 -0.766 1.619 7.876 115 HB3 ALA 15 HB3 ALA 15 -0.905 0.268 6.748 116 H LEU 16 HN LEU 16 1.207 0.713 4.261 117 HA LEU 16 HA LEU 16 -0.287 1.513 2.000 118 HB2 LEU 16 HB2 LEU 16 1.137 0.072 0.579 119 HB3 LEU 16 HB1 LEU 16 2.023 1.244 1.518 120 HG LEU 16 HG LEU 16 1.860 -1.675 2.301 121 HD11 LEU 16 HD11 LEU 16 2.790 -1.540 0.061 122 HD12 LEU 16 HD12 LEU 16 4.103 -1.824 1.218 123 HD13 LEU 16 HD13 LEU 16 3.842 -0.217 0.555 124 HD21 LEU 16 HD21 LEU 16 3.919 -1.169 3.503 125 HD22 LEU 16 HD22 LEU 16 2.652 -0.074 4.050 126 HD23 LEU 16 HD23 LEU 16 3.880 0.484 2.912 127 H VAL 17 HN VAL 17 -0.467 -1.190 4.052 128 HA VAL 17 HA VAL 17 -2.086 -2.687 2.244 129 HB VAL 17 HB VAL 17 -0.858 -3.613 4.280 130 HG11 VAL 17 HG11 VAL 17 -3.264 -2.547 5.725 131 HG12 VAL 17 HG12 VAL 17 -1.575 -2.110 5.994 132 HG13 VAL 17 HG13 VAL 17 -2.144 -3.737 6.377 133 HG21 VAL 17 HG21 VAL 17 -3.733 -4.395 3.858 134 HG22 VAL 17 HG22 VAL 17 -2.507 -5.381 4.651 135 HG23 VAL 17 HG23 VAL 17 -2.341 -4.975 2.944 136 H GLU 18 HN GLU 18 -2.677 -0.065 4.411 137 HA GLU 18 HA GLU 18 -5.513 -0.421 4.524 138 HB2 GLU 18 HB2 GLU 18 -4.240 0.881 6.243 139 HB3 GLU 18 HB1 GLU 18 -3.892 2.100 5.023 140 HG2 GLU 18 HG2 GLU 18 -5.723 2.763 6.514 141 HG3 GLU 18 HG1 GLU 18 -6.241 2.624 4.834 142 H ILE 19 HN ILE 19 -3.240 1.440 2.654 143 HA ILE 19 HA ILE 19 -4.943 2.741 0.864 144 HB ILE 19 HB ILE 19 -2.198 1.523 0.367 145 HG12 ILE 19 HG12 ILE 19 -2.959 4.338 1.169 146 HG13 ILE 19 HG11 ILE 19 -2.231 3.133 2.221 147 HG21 ILE 19 HG21 ILE 19 -1.968 3.101 -1.484 148 HG22 ILE 19 HG22 ILE 19 -3.610 3.671 -1.204 149 HG23 ILE 19 HG23 ILE 19 -3.334 2.010 -1.742 150 HD11 ILE 19 HD11 ILE 19 -0.577 4.721 1.474 151 HD12 ILE 19 HD12 ILE 19 -0.980 4.386 -0.206 152 HD13 ILE 19 HD13 ILE 19 -0.225 3.137 0.780 153 H ALA 20 HN ALA 20 -3.404 -0.441 0.700 154 HA ALA 20 HA ALA 20 -4.532 -1.317 -1.676 155 HB1 ALA 20 HB1 ALA 20 -3.720 -3.026 0.669 156 HB2 ALA 20 HB2 ALA 20 -2.621 -2.390 -0.552 157 HB3 ALA 20 HB3 ALA 20 -3.869 -3.549 -1.009 158 H HIS 21 HN HIS 21 -5.892 -1.397 1.592 159 HA HIS 21 HA HIS 21 -8.055 -3.152 1.071 160 HB2 HIS 21 HB2 HIS 21 -8.133 -0.763 2.947 161 HB3 HIS 21 HB1 HIS 21 -9.308 -2.078 2.867 162 HD1 HIS 21 HD1 HIS 21 -7.295 -0.999 5.197 163 HD2 HIS 21 HD2 HIS 21 -7.218 -4.607 3.175 164 HE1 HIS 21 HE1 HIS 21 -6.062 -2.605 6.716 165 HE2 HIS 21 HE2 HIS 21 -5.836 -4.689 5.402 166 H GLU 22 HN GLU 22 -7.938 0.395 0.991 167 HA GLU 22 HA GLU 22 -10.507 0.812 -0.045 168 HB2 GLU 22 HB2 GLU 22 -8.010 2.410 -0.007 169 HB3 GLU 22 HB1 GLU 22 -9.389 2.865 -1.002 170 HG2 GLU 22 HG2 GLU 22 -9.606 2.406 1.957 171 HG3 GLU 22 HG1 GLU 22 -9.335 3.994 1.230 172 H LEU 23 HN LEU 23 -7.460 0.234 -1.594 173 HA LEU 23 HA LEU 23 -8.090 0.912 -4.219 174 HB2 LEU 23 HB2 LEU 23 -5.862 0.376 -3.234 175 HB3 LEU 23 HB1 LEU 23 -6.313 -1.308 -3.245 176 HG LEU 23 HG LEU 23 -6.275 -1.347 -5.688 177 HD11 LEU 23 HD11 LEU 23 -7.108 0.965 -6.045 178 HD12 LEU 23 HD12 LEU 23 -5.612 0.656 -6.918 179 HD13 LEU 23 HD13 LEU 23 -5.581 1.590 -5.423 180 HD21 LEU 23 HD21 LEU 23 -3.905 -0.873 -5.962 181 HD22 LEU 23 HD22 LEU 23 -4.237 -1.676 -4.415 182 HD23 LEU 23 HD23 LEU 23 -3.943 0.060 -4.458 183 H PHE 24 HN PHE 24 -8.361 -2.157 -2.518 184 HA PHE 24 HA PHE 24 -9.588 -3.430 -4.725 185 HB2 PHE 24 HB2 PHE 24 -9.107 -4.288 -1.904 186 HB3 PHE 24 HB1 PHE 24 -10.086 -5.262 -3.000 187 HD1 PHE 24 HD2 PHE 24 -6.767 -3.973 -2.310 188 HD2 PHE 24 HD1 PHE 24 -9.134 -6.354 -4.872 189 HE1 PHE 24 HE2 PHE 24 -4.730 -4.905 -3.309 190 HE2 PHE 24 HE1 PHE 24 -7.124 -7.294 -5.875 191 HZ PHE 24 HZ PHE 24 -4.921 -6.583 -5.116 192 H GLU 25 HN GLU 25 -10.811 -1.903 -1.816 193 HA GLU 25 HA GLU 25 -13.465 -2.750 -2.280 194 HB2 GLU 25 HB2 GLU 25 -12.762 -2.090 -0.057 195 HB3 GLU 25 HB1 GLU 25 -12.361 -0.479 -0.617 196 HG2 GLU 25 HG2 GLU 25 -14.438 -0.545 0.676 197 HG3 GLU 25 HG1 GLU 25 -14.678 0.035 -0.961 198 H GLU 26 HN GLU 26 -11.602 -0.151 -3.543 199 HA GLU 26 HA GLU 26 -13.638 1.453 -4.669 200 HB2 GLU 26 HB2 GLU 26 -11.098 1.904 -4.497 201 HB3 GLU 26 HB1 GLU 26 -10.923 0.858 -5.886 202 HG2 GLU 26 HG2 GLU 26 -12.309 3.538 -5.773 203 HG3 GLU 26 HG1 GLU 26 -10.795 3.164 -6.562 204 H HIS 27 HN HIS 27 -11.715 -1.223 -5.880 205 HA HIS 27 HA HIS 27 -13.021 -1.191 -8.448 206 HB2 HIS 27 HB2 HIS 27 -11.100 -3.248 -7.366 207 HB3 HIS 27 HB1 HIS 27 -11.592 -3.073 -9.041 208 HD1 HIS 27 HD1 HIS 27 -11.158 0.273 -8.819 209 HD2 HIS 27 HD2 HIS 27 -8.441 -2.784 -7.983 210 HE1 HIS 27 HE1 HIS 27 -8.921 1.264 -9.086 211 HE2 HIS 27 HE2 HIS 27 -7.303 -0.637 -8.809 212 H LYS 28 HN LYS 28 -13.125 -3.313 -5.625 213 HA LYS 28 HA LYS 28 -14.290 -5.115 -5.045 214 HB2 LYS 28 HB2 LYS 28 -16.359 -3.737 -6.743 215 HB3 LYS 28 HB1 LYS 28 -16.723 -5.199 -5.830 216 HG2 LYS 28 HG2 LYS 28 -16.094 -4.007 -3.760 217 HG3 LYS 28 HG1 LYS 28 -15.834 -2.546 -4.714 218 HD2 LYS 28 HD2 LYS 28 -18.151 -2.532 -5.393 219 HD3 LYS 28 HD1 LYS 28 -18.431 -4.065 -4.570 220 HE2 LYS 28 HE2 LYS 28 -17.646 -1.467 -3.247 221 HE3 LYS 28 HE1 LYS 28 -19.260 -2.171 -3.266 222 HZ1 LYS 28 HZ1 LYS 28 -18.260 -4.135 -2.063 223 HZ2 LYS 28 HZ2 LYS 28 -18.244 -2.665 -1.219 224 HZ3 LYS 28 HZ3 LYS 28 -16.841 -3.205 -1.883 225 H LYS 29 HN LYS 29 -12.507 -5.487 -6.968 226 HA LYS 29 HA LYS 29 -13.554 -7.752 -8.432 227 HB2 LYS 29 HB2 LYS 29 -11.814 -5.571 -9.640 228 HB3 LYS 29 HB1 LYS 29 -12.278 -7.058 -10.452 229 HG2 LYS 29 HG2 LYS 29 -14.617 -6.363 -10.417 230 HG3 LYS 29 HG1 LYS 29 -14.181 -4.887 -9.567 231 HD2 LYS 29 HD2 LYS 29 -13.287 -5.668 -12.347 232 HD3 LYS 29 HD1 LYS 29 -14.545 -4.498 -11.964 233 HE2 LYS 29 HE2 LYS 29 -12.869 -3.130 -10.786 234 HE3 LYS 29 HE1 LYS 29 -11.637 -4.307 -11.246 235 HZ1 LYS 29 HZ1 LYS 29 -11.600 -2.469 -12.721 236 HZ2 LYS 29 HZ2 LYS 29 -13.229 -2.612 -13.079 237 HZ3 LYS 29 HZ3 LYS 29 -12.134 -3.813 -13.584 238 HA PRO 30 HA PRO 30 -9.704 -9.175 -6.697 239 HB2 PRO 30 HB2 PRO 30 -9.463 -11.454 -8.453 240 HB3 PRO 30 HB1 PRO 30 -10.113 -11.368 -6.853 241 HG2 PRO 30 HG2 PRO 30 -11.627 -11.859 -9.118 242 HG3 PRO 30 HG1 PRO 30 -12.249 -11.362 -7.540 243 HD2 PRO 30 HD2 PRO 30 -11.738 -9.725 -9.976 244 HD3 PRO 30 HD1 PRO 30 -13.036 -9.601 -8.769 245 H VAL 31 HN VAL 31 -7.745 -8.415 -7.006 246 HA VAL 31 HA VAL 31 -6.797 -7.993 -9.756 247 HB VAL 31 HB VAL 31 -6.232 -6.246 -7.324 248 HG11 VAL 31 HG11 VAL 31 -5.136 -4.704 -8.858 249 HG12 VAL 31 HG12 VAL 31 -5.367 -5.851 -10.174 250 HG13 VAL 31 HG13 VAL 31 -4.329 -6.274 -8.814 251 HG21 VAL 31 HG21 VAL 31 -7.918 -5.698 -9.756 252 HG22 VAL 31 HG22 VAL 31 -7.482 -4.519 -8.522 253 HG23 VAL 31 HG23 VAL 31 -8.496 -5.906 -8.097 254 HA PRO 32 HA PRO 32 -3.334 -10.612 -8.555 255 HB2 PRO 32 HB2 PRO 32 -2.005 -9.095 -10.735 256 HB3 PRO 32 HB1 PRO 32 -2.152 -10.841 -10.506 257 HG2 PRO 32 HG2 PRO 32 -3.604 -9.622 -12.343 258 HG3 PRO 32 HG1 PRO 32 -4.315 -10.902 -11.336 259 HD2 PRO 32 HD2 PRO 32 -4.601 -7.933 -11.113 260 HD3 PRO 32 HD1 PRO 32 -5.818 -9.222 -10.954 261 H PHE 33 HN PHE 33 -1.312 -10.354 -7.678 262 HA PHE 33 HA PHE 33 -0.990 -8.407 -5.803 263 HB2 PHE 33 HB2 PHE 33 0.124 -10.600 -5.783 264 HB3 PHE 33 HB1 PHE 33 1.169 -10.039 -7.098 265 HD1 PHE 33 HD1 PHE 33 0.359 -9.607 -3.528 266 HD2 PHE 33 HD2 PHE 33 3.055 -8.689 -6.690 267 HE1 PHE 33 HE1 PHE 33 1.973 -8.729 -1.895 268 HE2 PHE 33 HE2 PHE 33 4.663 -7.810 -5.091 269 HZ PHE 33 HZ PHE 33 4.126 -7.830 -2.660 270 H GLN 34 HN GLN 34 0.772 -8.548 -8.878 271 HA GLN 34 HA GLN 34 2.366 -6.311 -8.147 272 HB2 GLN 34 HB2 GLN 34 3.198 -8.134 -9.569 273 HB3 GLN 34 HB1 GLN 34 2.115 -7.620 -10.846 274 HG2 GLN 34 HG2 GLN 34 4.403 -6.907 -11.266 275 HG3 GLN 34 HG1 GLN 34 3.319 -5.534 -11.049 276 HE21 GLN 34 HE21 GLN 34 6.240 -5.870 -10.775 277 HE22 GLN 34 HE22 GLN 34 6.675 -5.338 -9.214 278 H GLU 35 HN GLU 35 -0.658 -6.554 -9.829 279 HA GLU 35 HA GLU 35 -0.356 -4.041 -11.140 280 HB2 GLU 35 HB2 GLU 35 -2.796 -5.744 -10.676 281 HB3 GLU 35 HB1 GLU 35 -2.801 -4.237 -11.576 282 HG2 GLU 35 HG2 GLU 35 -1.142 -5.246 -13.136 283 HG3 GLU 35 HG1 GLU 35 -1.358 -6.777 -12.285 284 H LEU 36 HN LEU 36 -1.740 -5.184 -8.125 285 HA LEU 36 HA LEU 36 -3.024 -2.746 -7.524 286 HB2 LEU 36 HB2 LEU 36 -3.488 -3.641 -5.373 287 HB3 LEU 36 HB1 LEU 36 -3.471 -5.026 -6.431 288 HG LEU 36 HG LEU 36 -0.937 -5.116 -5.529 289 HD11 LEU 36 HD11 LEU 36 -2.502 -3.905 -3.266 290 HD12 LEU 36 HD12 LEU 36 -1.138 -3.180 -4.115 291 HD13 LEU 36 HD13 LEU 36 -0.898 -4.626 -3.133 292 HD21 LEU 36 HD21 LEU 36 -2.596 -6.946 -5.447 293 HD22 LEU 36 HD22 LEU 36 -3.275 -6.231 -3.976 294 HD23 LEU 36 HD23 LEU 36 -1.624 -6.834 -3.985 295 H LEU 37 HN LEU 37 0.224 -4.006 -7.001 296 HA LEU 37 HA LEU 37 1.156 -1.893 -5.381 297 HB2 LEU 37 HB2 LEU 37 2.483 -4.036 -6.963 298 HB3 LEU 37 HB1 LEU 37 3.448 -2.672 -6.461 299 HG LEU 37 HG LEU 37 3.782 -4.467 -4.949 300 HD11 LEU 37 HD11 LEU 37 3.790 -2.269 -4.010 301 HD12 LEU 37 HD12 LEU 37 3.209 -3.443 -2.827 302 HD13 LEU 37 HD13 LEU 37 2.068 -2.368 -3.639 303 HD21 LEU 37 HD21 LEU 37 1.996 -5.423 -3.583 304 HD22 LEU 37 HD22 LEU 37 1.750 -5.725 -5.304 305 HD23 LEU 37 HD23 LEU 37 0.818 -4.469 -4.485 306 H ASN 38 HN ASN 38 0.842 -2.291 -8.821 307 HA ASN 38 HA ASN 38 2.462 -0.006 -9.292 308 HB2 ASN 38 HB2 ASN 38 0.901 -1.760 -11.156 309 HB3 ASN 38 HB1 ASN 38 1.567 -0.220 -11.720 310 HD21 ASN 38 HD21 ASN 38 2.343 -2.980 -12.444 311 HD22 ASN 38 HD22 ASN 38 4.018 -3.056 -12.128 312 H GLU 39 HN GLU 39 -0.986 -0.539 -9.007 313 HA GLU 39 HA GLU 39 -1.688 2.108 -9.665 314 HB2 GLU 39 HB2 GLU 39 -2.980 0.205 -7.711 315 HB3 GLU 39 HB1 GLU 39 -3.641 1.777 -8.115 316 HG2 GLU 39 HG2 GLU 39 -3.704 0.986 -10.505 317 HG3 GLU 39 HG1 GLU 39 -3.356 -0.628 -9.876 318 H ILE 40 HN ILE 40 -0.800 0.578 -6.622 319 HA ILE 40 HA ILE 40 -0.936 2.811 -4.973 320 HB ILE 40 HB ILE 40 0.881 0.385 -4.800 321 HG12 ILE 40 HG12 ILE 40 -1.633 1.129 -3.286 322 HG13 ILE 40 HG11 ILE 40 -1.518 -0.065 -4.571 323 HG21 ILE 40 HG21 ILE 40 1.954 2.207 -3.582 324 HG22 ILE 40 HG22 ILE 40 1.350 0.977 -2.473 325 HG23 ILE 40 HG23 ILE 40 0.467 2.490 -2.675 326 HD11 ILE 40 HD11 ILE 40 -0.044 -1.422 -3.166 327 HD12 ILE 40 HD12 ILE 40 -1.601 -1.128 -2.392 328 HD13 ILE 40 HD13 ILE 40 -0.176 -0.224 -1.878 329 H ALA 41 HN ALA 41 1.892 1.576 -6.748 330 HA ALA 41 HA ALA 41 3.744 3.435 -5.903 331 HB1 ALA 41 HB1 ALA 41 4.214 1.401 -7.193 332 HB2 ALA 41 HB2 ALA 41 5.075 2.834 -7.755 333 HB3 ALA 41 HB3 ALA 41 3.666 2.239 -8.652 334 H SER 42 HN SER 42 1.713 3.712 -8.831 335 HA SER 42 HA SER 42 2.756 6.339 -9.326 336 HB2 SER 42 HB2 SER 42 2.065 4.863 -11.188 337 HB3 SER 42 HB1 SER 42 0.396 4.947 -10.629 338 HG SER 42 HG SER 42 0.387 7.132 -11.087 339 H LEU 43 HN LEU 43 0.066 5.157 -7.553 340 HA LEU 43 HA LEU 43 -1.284 7.647 -7.453 341 HB2 LEU 43 HB2 LEU 43 -2.242 5.382 -6.851 342 HB3 LEU 43 HB1 LEU 43 -1.287 5.438 -5.388 343 HG LEU 43 HG LEU 43 -2.548 7.444 -4.679 344 HD11 LEU 43 HD11 LEU 43 -3.153 8.274 -6.875 345 HD12 LEU 43 HD12 LEU 43 -4.557 8.080 -5.844 346 HD13 LEU 43 HD13 LEU 43 -4.223 6.895 -7.110 347 HD21 LEU 43 HD21 LEU 43 -4.612 6.274 -4.145 348 HD22 LEU 43 HD22 LEU 43 -3.221 5.212 -3.935 349 HD23 LEU 43 HD23 LEU 43 -4.250 5.051 -5.359 350 H LEU 44 HN LEU 44 1.263 6.106 -5.694 351 HA LEU 44 HA LEU 44 1.616 8.235 -3.787 352 HB2 LEU 44 HB2 LEU 44 3.045 5.686 -4.378 353 HB3 LEU 44 HB1 LEU 44 3.854 6.930 -3.464 354 HG LEU 44 HG LEU 44 2.115 6.750 -1.728 355 HD11 LEU 44 HD11 LEU 44 0.571 4.850 -1.778 356 HD12 LEU 44 HD12 LEU 44 1.101 4.511 -3.438 357 HD13 LEU 44 HD13 LEU 44 0.275 6.025 -3.068 358 HD21 LEU 44 HD21 LEU 44 4.150 5.526 -1.550 359 HD22 LEU 44 HD22 LEU 44 3.490 4.208 -2.520 360 HD23 LEU 44 HD23 LEU 44 2.821 4.548 -0.912 361 H GLY 45 HN GLY 45 3.600 9.196 -3.593 362 HA2 GLY 45 HA2 GLY 45 4.841 10.022 -6.137 363 HA3 GLY 45 HA1 GLY 45 5.024 10.874 -4.599 364 H VAL 46 HN VAL 46 5.681 7.761 -6.073 365 HA VAL 46 HA VAL 46 8.330 7.709 -4.854 366 HB VAL 46 HB VAL 46 8.060 5.369 -4.153 367 HG11 VAL 46 HG11 VAL 46 7.671 6.951 -2.410 368 HG12 VAL 46 HG12 VAL 46 6.497 5.641 -2.246 369 HG13 VAL 46 HG13 VAL 46 6.007 7.187 -2.936 370 HG21 VAL 46 HG21 VAL 46 6.365 4.628 -5.711 371 HG22 VAL 46 HG22 VAL 46 5.172 5.675 -4.953 372 HG23 VAL 46 HG23 VAL 46 5.828 4.302 -4.059 373 H LYS 47 HN LYS 47 9.725 6.282 -6.005 374 HA LYS 47 HA LYS 47 8.768 5.666 -8.679 375 HB2 LYS 47 HB2 LYS 47 11.121 5.175 -9.224 376 HB3 LYS 47 HB1 LYS 47 10.979 6.746 -8.481 377 HG2 LYS 47 HG2 LYS 47 11.813 5.891 -6.381 378 HG3 LYS 47 HG1 LYS 47 11.852 4.256 -7.037 379 HD2 LYS 47 HD2 LYS 47 13.519 4.937 -8.681 380 HD3 LYS 47 HD1 LYS 47 13.453 6.594 -8.078 381 HE2 LYS 47 HE2 LYS 47 14.306 5.893 -5.937 382 HE3 LYS 47 HE1 LYS 47 14.257 4.204 -6.426 383 HZ1 LYS 47 HZ1 LYS 47 16.477 5.168 -6.551 384 HZ2 LYS 47 HZ2 LYS 47 15.969 6.288 -7.686 385 HZ3 LYS 47 HZ3 LYS 47 15.970 4.636 -8.061 386 H LYS 48 HN LYS 48 8.806 3.502 -9.486 387 HA LYS 48 HA LYS 48 7.757 1.620 -7.792 388 HB2 LYS 48 HB2 LYS 48 7.475 1.467 -10.180 389 HB3 LYS 48 HB1 LYS 48 9.191 1.150 -10.395 390 HG2 LYS 48 HG2 LYS 48 8.179 -0.960 -10.591 391 HG3 LYS 48 HG1 LYS 48 8.867 -0.831 -8.962 392 HD2 LYS 48 HD2 LYS 48 6.683 -0.570 -7.942 393 HD3 LYS 48 HD1 LYS 48 5.901 -0.369 -9.502 394 HE2 LYS 48 HE2 LYS 48 6.526 -2.667 -10.080 395 HE3 LYS 48 HE1 LYS 48 7.244 -2.845 -8.465 396 HZ1 LYS 48 HZ1 LYS 48 5.028 -2.378 -7.562 397 HZ2 LYS 48 HZ2 LYS 48 5.030 -3.747 -8.569 398 HZ3 LYS 48 HZ3 LYS 48 4.458 -2.256 -9.159 399 H GLU 49 HN GLU 49 11.142 2.079 -8.554 400 HA GLU 49 HA GLU 49 12.307 -0.232 -7.510 401 HB2 GLU 49 HB2 GLU 49 13.235 2.621 -7.403 402 HB3 GLU 49 HB1 GLU 49 14.240 1.259 -6.937 403 HG2 GLU 49 HG2 GLU 49 14.365 0.466 -9.115 404 HG3 GLU 49 HG1 GLU 49 12.988 1.429 -9.649 405 H GLU 50 HN GLU 50 11.583 2.778 -5.740 406 HA GLU 50 HA GLU 50 12.461 1.702 -3.226 407 HB2 GLU 50 HB2 GLU 50 11.755 3.817 -2.287 408 HB3 GLU 50 HB1 GLU 50 12.606 4.121 -3.797 409 HG2 GLU 50 HG2 GLU 50 10.374 4.257 -4.914 410 HG3 GLU 50 HG1 GLU 50 9.661 4.146 -3.322 411 H LEU 51 HN LEU 51 9.514 1.976 -4.981 412 HA LEU 51 HA LEU 51 7.780 1.327 -2.836 413 HB2 LEU 51 HB2 LEU 51 7.123 2.517 -4.953 414 HB3 LEU 51 HB1 LEU 51 7.387 1.031 -5.823 415 HG LEU 51 HG LEU 51 4.989 1.710 -5.376 416 HD11 LEU 51 HD11 LEU 51 4.192 -0.523 -4.989 417 HD12 LEU 51 HD12 LEU 51 5.785 -1.019 -4.416 418 HD13 LEU 51 HD13 LEU 51 5.560 -0.540 -6.099 419 HD21 LEU 51 HD21 LEU 51 5.221 2.423 -3.065 420 HD22 LEU 51 HD22 LEU 51 5.638 0.775 -2.586 421 HD23 LEU 51 HD23 LEU 51 4.030 1.132 -3.210 422 H GLY 52 HN GLY 52 9.760 -0.410 -5.089 423 HA2 GLY 52 HA2 GLY 52 8.781 -3.021 -4.770 424 HA3 GLY 52 HA1 GLY 52 10.416 -2.575 -5.250 425 H ASP 53 HN ASP 53 11.187 -1.178 -3.038 426 HA ASP 53 HA ASP 53 11.940 -3.144 -1.159 427 HB2 ASP 53 HB2 ASP 53 13.128 -1.008 -1.405 428 HB3 ASP 53 HB1 ASP 53 11.714 -0.153 -0.799 429 H ARG 54 HN ARG 54 9.392 -0.708 -1.093 430 HA ARG 54 HA ARG 54 8.230 -1.561 1.335 431 HB2 ARG 54 HB2 ARG 54 7.158 0.088 -0.925 432 HB3 ARG 54 HB1 ARG 54 6.056 -0.502 0.300 433 HG2 ARG 54 HG2 ARG 54 6.669 1.745 0.833 434 HG3 ARG 54 HG1 ARG 54 7.413 0.678 2.016 435 HD2 ARG 54 HD2 ARG 54 9.546 0.883 0.891 436 HD3 ARG 54 HD1 ARG 54 8.790 1.837 -0.390 437 HE ARG 54 HE ARG 54 8.593 2.849 2.341 438 HH11 ARG 54 HH11 ARG 54 10.196 3.095 -0.783 439 HH12 ARG 54 HH12 ARG 54 10.818 4.665 -0.534 440 HH21 ARG 54 HH21 ARG 54 9.406 4.948 2.737 441 HH22 ARG 54 HH22 ARG 54 10.342 5.778 1.572 442 H ILE 55 HN ILE 55 8.033 -2.884 -1.851 443 HA ILE 55 HA ILE 55 5.667 -4.406 -1.531 444 HB ILE 55 HB ILE 55 8.082 -4.939 -3.305 445 HG12 ILE 55 HG12 ILE 55 5.362 -3.789 -3.909 446 HG13 ILE 55 HG11 ILE 55 6.878 -2.913 -3.891 447 HG21 ILE 55 HG21 ILE 55 6.934 -7.047 -2.892 448 HG22 ILE 55 HG22 ILE 55 6.712 -6.520 -4.563 449 HG23 ILE 55 HG23 ILE 55 5.408 -6.317 -3.399 450 HD11 ILE 55 HD11 ILE 55 7.648 -4.284 -5.815 451 HD12 ILE 55 HD12 ILE 55 6.206 -3.340 -6.166 452 HD13 ILE 55 HD13 ILE 55 6.069 -5.066 -5.841 453 H ALA 56 HN ALA 56 9.036 -5.029 -0.799 454 HA ALA 56 HA ALA 56 8.739 -7.699 0.070 455 HB1 ALA 56 HB1 ALA 56 10.860 -7.348 1.241 456 HB2 ALA 56 HB2 ALA 56 10.721 -5.612 0.969 457 HB3 ALA 56 HB3 ALA 56 10.922 -6.706 -0.401 458 H GLN 57 HN GLN 57 8.772 -4.662 1.862 459 HA GLN 57 HA GLN 57 8.143 -5.608 4.415 460 HB2 GLN 57 HB2 GLN 57 8.824 -3.235 3.692 461 HB3 GLN 57 HB1 GLN 57 7.160 -2.995 3.211 462 HG2 GLN 57 HG2 GLN 57 8.019 -3.644 6.029 463 HG3 GLN 57 HG1 GLN 57 7.828 -2.013 5.433 464 HE21 GLN 57 HE21 GLN 57 6.442 -3.345 7.641 465 HE22 GLN 57 HE22 GLN 57 4.773 -3.322 7.251 466 H PHE 58 HN PHE 58 6.103 -4.665 1.727 467 HA PHE 58 HA PHE 58 3.598 -5.020 2.861 468 HB2 PHE 58 HB2 PHE 58 4.058 -3.765 0.772 469 HB3 PHE 58 HB1 PHE 58 4.373 -5.281 -0.040 470 HD1 PHE 58 HD2 PHE 58 1.677 -3.776 2.062 471 HD2 PHE 58 HD1 PHE 58 2.694 -6.074 -1.367 472 HE1 PHE 58 HE2 PHE 58 -0.698 -3.920 1.460 473 HE2 PHE 58 HE1 PHE 58 0.322 -6.220 -1.977 474 HZ PHE 58 HZ PHE 58 -1.381 -5.139 -0.564 475 H TYR 59 HN TYR 59 5.718 -7.409 1.279 476 HA TYR 59 HA TYR 59 3.803 -9.468 1.185 477 HB2 TYR 59 HB2 TYR 59 6.787 -9.570 1.507 478 HB3 TYR 59 HB1 TYR 59 5.839 -11.037 1.694 479 HD1 TYR 59 HD2 TYR 59 4.354 -11.739 -0.255 480 HD2 TYR 59 HD1 TYR 59 7.421 -8.834 -0.607 481 HE1 TYR 59 HE2 TYR 59 4.406 -12.094 -2.683 482 HE2 TYR 59 HE1 TYR 59 7.489 -9.185 -3.028 483 HH TYR 59 HH TYR 59 6.928 -10.848 -4.595 484 H THR 60 HN THR 60 6.019 -8.561 3.748 485 HA THR 60 HA THR 60 5.014 -10.442 5.609 486 HB THR 60 HB THR 60 6.445 -7.811 6.059 487 HG1 THR 60 HG1 THR 60 7.859 -9.227 5.171 488 HG21 THR 60 HG21 THR 60 5.183 -8.347 8.078 489 HG22 THR 60 HG22 THR 60 6.902 -8.634 8.358 490 HG23 THR 60 HG23 THR 60 5.817 -9.993 8.068 491 H ASP 61 HN ASP 61 4.214 -7.019 5.125 492 HA ASP 61 HA ASP 61 2.406 -6.816 7.259 493 HB2 ASP 61 HB2 ASP 61 3.542 -4.905 6.246 494 HB3 ASP 61 HB1 ASP 61 2.609 -5.130 4.773 495 H LEU 62 HN LEU 62 1.866 -7.582 3.879 496 HA LEU 62 HA LEU 62 -0.963 -7.465 3.964 497 HB2 LEU 62 HB2 LEU 62 0.315 -7.253 1.902 498 HB3 LEU 62 HB1 LEU 62 0.907 -8.889 2.078 499 HG LEU 62 HG LEU 62 -1.369 -9.727 1.679 500 HD11 LEU 62 HD11 LEU 62 -2.028 -6.812 1.242 501 HD12 LEU 62 HD12 LEU 62 -2.622 -7.823 2.562 502 HD13 LEU 62 HD13 LEU 62 -3.093 -8.175 0.901 503 HD21 LEU 62 HD21 LEU 62 -1.464 -9.102 -0.686 504 HD22 LEU 62 HD22 LEU 62 0.184 -9.457 -0.165 505 HD23 LEU 62 HD23 LEU 62 -0.334 -7.784 -0.373 506 H ASN 63 HN ASN 63 1.387 -9.998 4.624 507 HA ASN 63 HA ASN 63 -0.616 -12.055 4.656 508 HB2 ASN 63 HB2 ASN 63 2.273 -12.087 5.561 509 HB3 ASN 63 HB1 ASN 63 1.184 -13.445 5.814 510 HD21 ASN 63 HD21 ASN 63 1.032 -11.489 2.917 511 HD22 ASN 63 HD22 ASN 63 1.661 -12.707 1.856 512 H ILE 64 HN ILE 64 0.541 -9.780 6.955 513 HA ILE 64 HA ILE 64 -0.809 -11.238 9.073 514 HB ILE 64 HB ILE 64 0.093 -9.517 10.633 515 HG12 ILE 64 HG12 ILE 64 1.607 -8.569 8.194 516 HG13 ILE 64 HG11 ILE 64 0.349 -7.670 9.031 517 HG21 ILE 64 HG21 ILE 64 2.409 -10.330 10.587 518 HG22 ILE 64 HG22 ILE 64 2.136 -10.976 8.970 519 HG23 ILE 64 HG23 ILE 64 1.238 -11.628 10.342 520 HD11 ILE 64 HD11 ILE 64 2.563 -6.852 9.590 521 HD12 ILE 64 HD12 ILE 64 3.020 -8.454 10.173 522 HD13 ILE 64 HD13 ILE 64 1.767 -7.534 11.006 523 H ASP 65 HN ASP 65 -1.828 -9.372 6.767 524 HA ASP 65 HA ASP 65 -3.336 -7.378 8.149 525 HB2 ASP 65 HB2 ASP 65 -2.695 -7.068 5.810 526 HB3 ASP 65 HB1 ASP 65 -3.668 -8.469 5.360 527 H GLY 66 HN GLY 66 -5.551 -7.339 8.620 528 HA2 GLY 66 HA2 GLY 66 -6.736 -10.021 8.788 529 HA3 GLY 66 HA1 GLY 66 -7.031 -8.694 9.930 530 H ARG 67 HN ARG 67 -7.021 -7.879 6.574 531 HA ARG 67 HA ARG 67 -9.965 -8.082 6.473 532 HB2 ARG 67 HB2 ARG 67 -8.238 -5.781 5.519 533 HB3 ARG 67 HB1 ARG 67 -9.911 -5.985 5.033 534 HG2 ARG 67 HG2 ARG 67 -8.960 -5.626 7.872 535 HG3 ARG 67 HG1 ARG 67 -9.652 -4.355 6.856 536 HD2 ARG 67 HD2 ARG 67 -11.729 -5.583 6.689 537 HD3 ARG 67 HD1 ARG 67 -11.050 -6.922 7.602 538 HE ARG 67 HE ARG 67 -11.752 -4.283 8.656 539 HH11 ARG 67 HH11 ARG 67 -10.541 -7.512 9.314 540 HH12 ARG 67 HH12 ARG 67 -11.391 -7.675 10.791 541 HH21 ARG 67 HH21 ARG 67 -12.881 -4.508 10.733 542 HH22 ARG 67 HH22 ARG 67 -12.725 -5.971 11.620 543 H PHE 68 HN PHE 68 -6.951 -8.279 4.806 544 HA PHE 68 HA PHE 68 -8.038 -8.846 2.275 545 HB2 PHE 68 HB2 PHE 68 -5.351 -8.772 3.461 546 HB3 PHE 68 HB1 PHE 68 -5.562 -9.806 2.050 547 HD1 PHE 68 HD2 PHE 68 -6.160 -8.889 -0.064 548 HD2 PHE 68 HD1 PHE 68 -5.527 -6.380 3.290 549 HE1 PHE 68 HE2 PHE 68 -6.010 -6.966 -1.554 550 HE2 PHE 68 HE1 PHE 68 -5.376 -4.433 1.794 551 HZ PHE 68 HZ PHE 68 -5.627 -4.747 -0.643 552 H LEU 69 HN LEU 69 -7.953 -10.633 1.133 553 HA LEU 69 HA LEU 69 -7.589 -13.172 2.465 554 HB2 LEU 69 HB2 LEU 69 -9.973 -12.652 2.514 555 HB3 LEU 69 HB1 LEU 69 -9.963 -12.351 0.788 556 HG LEU 69 HG LEU 69 -9.284 -14.749 0.474 557 HD11 LEU 69 HD11 LEU 69 -9.733 -16.305 2.295 558 HD12 LEU 69 HD12 LEU 69 -10.018 -14.948 3.384 559 HD13 LEU 69 HD13 LEU 69 -8.419 -15.197 2.684 560 HD21 LEU 69 HD21 LEU 69 -11.549 -15.601 0.812 561 HD22 LEU 69 HD22 LEU 69 -11.543 -13.992 0.089 562 HD23 LEU 69 HD23 LEU 69 -11.925 -14.187 1.797 563 H ALA 70 HN ALA 70 -6.305 -14.378 1.049 564 HA ALA 70 HA ALA 70 -5.763 -13.411 -1.601 565 HB1 ALA 70 HB1 ALA 70 -4.963 -15.992 -0.233 566 HB2 ALA 70 HB2 ALA 70 -3.999 -14.517 -0.283 567 HB3 ALA 70 HB3 ALA 70 -4.323 -15.410 -1.771 568 H LEU 71 HN LEU 71 -7.159 -13.746 -3.188 569 HA LEU 71 HA LEU 71 -9.241 -15.598 -2.867 570 HB2 LEU 71 HB2 LEU 71 -8.509 -13.777 -5.133 571 HB3 LEU 71 HB1 LEU 71 -9.937 -14.803 -5.150 572 HG LEU 71 HG LEU 71 -9.478 -12.882 -2.877 573 HD11 LEU 71 HD11 LEU 71 -10.910 -12.342 -5.443 574 HD12 LEU 71 HD12 LEU 71 -9.328 -11.660 -5.009 575 HD13 LEU 71 HD13 LEU 71 -10.766 -11.242 -4.067 576 HD21 LEU 71 HD21 LEU 71 -11.201 -14.620 -2.687 577 HD22 LEU 71 HD22 LEU 71 -11.892 -14.006 -4.206 578 HD23 LEU 71 HD23 LEU 71 -11.884 -12.982 -2.772 579 H SER 72 HN SER 72 -7.722 -15.651 -6.089 580 HA SER 72 HA SER 72 -7.681 -18.530 -5.615 581 HB2 SER 72 HB2 SER 72 -7.754 -18.809 -8.066 582 HB3 SER 72 HB1 SER 72 -9.122 -17.896 -7.434 583 HG SER 72 HG SER 72 -7.011 -17.140 -9.043 584 H ASP 73 HN ASP 73 -5.649 -16.198 -7.399 585 HA ASP 73 HA ASP 73 -3.418 -18.140 -7.252 586 HB2 ASP 73 HB2 ASP 73 -4.108 -16.216 -9.485 587 HB3 ASP 73 HB1 ASP 73 -2.735 -17.315 -9.462 588 H GLN 74 HN GLN 74 -3.715 -16.258 -5.254 589 HA GLN 74 HA GLN 74 -2.807 -14.542 -4.176 590 HB2 GLN 74 HB2 GLN 74 -0.602 -14.894 -6.209 591 HB3 GLN 74 HB1 GLN 74 -0.576 -13.489 -5.149 592 HG2 GLN 74 HG2 GLN 74 0.784 -15.253 -4.209 593 HG3 GLN 74 HG1 GLN 74 -0.630 -14.980 -3.197 594 HE21 GLN 74 HE21 GLN 74 -0.440 -16.769 -6.220 595 HE22 GLN 74 HE22 GLN 74 -0.964 -18.265 -5.553 596 H THR 75 HN THR 75 -4.536 -14.423 -6.381 597 HA THR 75 HA THR 75 -4.607 -11.680 -7.166 598 HB THR 75 HB THR 75 -7.051 -13.373 -6.867 599 HG1 THR 75 HG1 THR 75 -5.821 -14.109 -9.144 600 HG21 THR 75 HG21 THR 75 -5.887 -11.796 -9.172 601 HG22 THR 75 HG22 THR 75 -7.079 -11.192 -8.022 602 HG23 THR 75 HG23 THR 75 -7.500 -12.507 -9.120 603 H TRP 76 HN TRP 76 -5.037 -10.177 -5.533 604 HA TRP 76 HA TRP 76 -6.001 -11.346 -3.062 605 HB2 TRP 76 HB2 TRP 76 -4.486 -8.797 -3.582 606 HB3 TRP 76 HB1 TRP 76 -5.256 -9.130 -2.033 607 HD1 TRP 76 HD1 TRP 76 -2.318 -10.235 -4.211 608 HE1 TRP 76 HE1 TRP 76 -0.722 -11.663 -2.809 609 HE3 TRP 76 HE3 TRP 76 -5.151 -10.677 0.017 610 HZ2 TRP 76 HZ2 TRP 76 -0.663 -12.839 -0.186 611 HZ3 TRP 76 HZ3 TRP 76 -4.257 -11.956 1.915 612 HH2 TRP 76 HH2 TRP 76 -2.064 -13.011 1.809 613 H GLY 77 HN GLY 77 -7.343 -9.941 -1.684 614 HA2 GLY 77 HA2 GLY 77 -8.912 -7.947 -2.752 615 HA3 GLY 77 HA1 GLY 77 -9.743 -9.489 -2.941 616 H LEU 78 HN LEU 78 -11.213 -8.451 -1.501 617 HA LEU 78 HA LEU 78 -10.311 -8.486 1.293 618 HB2 LEU 78 HB2 LEU 78 -12.537 -6.871 0.064 619 HB3 LEU 78 HB1 LEU 78 -12.139 -6.912 1.768 620 HG LEU 78 HG LEU 78 -10.374 -5.819 -0.426 621 HD11 LEU 78 HD11 LEU 78 -10.857 -3.654 0.591 622 HD12 LEU 78 HD12 LEU 78 -11.960 -4.432 1.726 623 HD13 LEU 78 HD13 LEU 78 -12.324 -4.433 0.000 624 HD21 LEU 78 HD21 LEU 78 -10.007 -5.838 2.574 625 HD22 LEU 78 HD22 LEU 78 -8.979 -4.994 1.419 626 HD23 LEU 78 HD23 LEU 78 -9.050 -6.752 1.405 627 H ARG 79 HN ARG 79 -11.475 -9.585 2.713 628 HA ARG 79 HA ARG 79 -13.275 -11.552 1.689 629 HB2 ARG 79 HB2 ARG 79 -13.432 -12.280 4.084 630 HB3 ARG 79 HB1 ARG 79 -11.811 -12.253 3.425 631 HG2 ARG 79 HG2 ARG 79 -11.407 -10.118 4.583 632 HG3 ARG 79 HG1 ARG 79 -13.031 -10.215 5.280 633 HD2 ARG 79 HD2 ARG 79 -12.406 -12.419 6.265 634 HD3 ARG 79 HD1 ARG 79 -10.820 -12.210 5.596 635 HE ARG 79 HE ARG 79 -10.220 -10.929 7.286 636 HH11 ARG 79 HH11 ARG 79 -13.734 -10.436 7.095 637 HH12 ARG 79 HH12 ARG 79 -13.949 -9.855 8.606 638 HH21 ARG 79 HH21 ARG 79 -10.468 -10.162 9.516 639 HH22 ARG 79 HH22 ARG 79 -11.974 -9.694 10.135 640 H SER 80 HN SER 80 -13.652 -8.424 2.607 641 HA SER 80 HA SER 80 -16.165 -8.493 3.914 642 HB2 SER 80 HB2 SER 80 -14.657 -6.220 2.649 643 HB3 SER 80 HB1 SER 80 -15.872 -6.113 3.929 644 HG SER 80 HG SER 80 -14.361 -7.655 5.070 645 H TRP 81 HN TRP 81 -15.675 -9.374 0.867 646 HA TRP 81 HA TRP 81 -17.934 -7.829 -0.278 647 HB2 TRP 81 HB2 TRP 81 -15.957 -9.588 -1.685 648 HB3 TRP 81 HB1 TRP 81 -17.256 -8.675 -2.423 649 HD1 TRP 81 HD1 TRP 81 -16.671 -5.846 -1.062 650 HE1 TRP 81 HE1 TRP 81 -14.619 -4.552 -1.834 651 HE3 TRP 81 HE3 TRP 81 -14.015 -9.786 -2.914 652 HZ2 TRP 81 HZ2 TRP 81 -12.148 -5.166 -3.158 653 HZ3 TRP 81 HZ3 TRP 81 -11.833 -9.352 -3.955 654 HH2 TRP 81 HH2 TRP 81 -10.911 -7.106 -4.066 655 H TYR 82 HN TYR 82 -17.308 -10.707 1.231 656 HA TYR 82 HA TYR 82 -19.427 -12.072 -0.274 657 HB2 TYR 82 HB2 TYR 82 -16.931 -13.457 0.732 658 HB3 TYR 82 HB1 TYR 82 -18.194 -14.132 -0.270 659 HD1 TYR 82 HD1 TYR 82 -15.271 -11.889 -0.217 660 HD2 TYR 82 HD2 TYR 82 -18.067 -13.937 -2.667 661 HE1 TYR 82 HE1 TYR 82 -13.835 -11.501 -2.141 662 HE2 TYR 82 HE2 TYR 82 -16.642 -13.523 -4.633 663 HH TYR 82 HH TYR 82 -13.426 -12.393 -4.330 Start of MODEL 11 1 H1 GLY 2 HT1 GLY 2 -12.079 9.513 -2.943 2 H2 GLY 2 HT2 GLY 2 -11.599 10.487 -1.659 3 H3 GLY 2 HT3 GLY 2 -13.056 9.659 -1.569 4 HA2 GLY 2 HA1 GLY 2 -11.358 8.660 -0.232 5 HA3 GLY 2 HA2 GLY 2 -11.889 7.569 -1.510 6 H ILE 3 HN ILE 3 -9.984 6.440 -1.491 7 HA ILE 3 HA ILE 3 -7.377 7.232 -1.308 8 HB ILE 3 HB ILE 3 -8.270 4.959 -1.218 9 HG12 ILE 3 HG12 ILE 3 -6.309 3.758 -2.137 10 HG13 ILE 3 HG11 ILE 3 -5.761 5.178 -2.978 11 HG21 ILE 3 HG21 ILE 3 -8.404 3.572 -3.281 12 HG22 ILE 3 HG22 ILE 3 -8.163 5.036 -4.233 13 HG23 ILE 3 HG23 ILE 3 -9.601 4.869 -3.229 14 HD11 ILE 3 HD11 ILE 3 -5.580 6.322 -0.784 15 HD12 ILE 3 HD12 ILE 3 -4.549 4.906 -0.938 16 HD13 ILE 3 HD13 ILE 3 -6.048 4.812 -0.012 17 H LYS 4 HN LYS 4 -9.367 7.541 -4.051 18 HA LYS 4 HA LYS 4 -7.591 7.558 -6.181 19 HB2 LYS 4 HB2 LYS 4 -10.006 7.444 -6.389 20 HB3 LYS 4 HB1 LYS 4 -10.153 9.080 -5.773 21 HG2 LYS 4 HG2 LYS 4 -9.022 9.934 -7.748 22 HG3 LYS 4 HG1 LYS 4 -8.829 8.290 -8.358 23 HD2 LYS 4 HD2 LYS 4 -11.245 8.012 -8.403 24 HD3 LYS 4 HD1 LYS 4 -11.455 9.653 -7.783 25 HE2 LYS 4 HE2 LYS 4 -10.396 10.553 -9.751 26 HE3 LYS 4 HE1 LYS 4 -10.099 8.934 -10.376 27 HZ1 LYS 4 HZ1 LYS 4 -12.030 9.941 -11.397 28 HZ2 LYS 4 HZ2 LYS 4 -12.748 10.169 -9.892 29 HZ3 LYS 4 HZ3 LYS 4 -12.502 8.607 -10.475 30 H GLN 5 HN GLN 5 -8.105 10.015 -3.720 31 HA GLN 5 HA GLN 5 -6.287 11.686 -5.239 32 HB2 GLN 5 HB2 GLN 5 -7.513 13.714 -4.434 33 HB3 GLN 5 HB1 GLN 5 -8.326 12.735 -5.637 34 HG2 GLN 5 HG2 GLN 5 -9.674 11.733 -3.814 35 HG3 GLN 5 HG1 GLN 5 -8.938 12.879 -2.692 36 HE21 GLN 5 HE21 GLN 5 -11.707 12.584 -3.577 37 HE22 GLN 5 HE22 GLN 5 -12.167 14.118 -4.203 38 H TYR 6 HN TYR 6 -5.644 9.910 -3.114 39 HA TYR 6 HA TYR 6 -4.926 11.569 -0.867 40 HB2 TYR 6 HB2 TYR 6 -3.994 8.801 -1.707 41 HB3 TYR 6 HB1 TYR 6 -3.301 9.656 -0.360 42 HD1 TYR 6 HD2 TYR 6 -6.921 9.884 -1.006 43 HD2 TYR 6 HD1 TYR 6 -3.877 7.915 1.202 44 HE1 TYR 6 HE2 TYR 6 -8.615 8.950 0.504 45 HE2 TYR 6 HE1 TYR 6 -5.566 6.981 2.717 46 HH TYR 6 HH TYR 6 -7.870 7.563 3.430 47 H SER 7 HN SER 7 -2.877 12.414 -0.416 48 HA SER 7 HA SER 7 -1.353 13.114 -2.799 49 HB2 SER 7 HB2 SER 7 -2.095 14.845 -1.113 50 HB3 SER 7 HB1 SER 7 -1.038 14.074 0.063 51 HG SER 7 HG SER 7 0.569 15.014 -0.752 52 H GLN 8 HN GLN 8 1.132 13.395 -2.145 53 HA GLN 8 HA GLN 8 2.127 10.768 -2.443 54 HB2 GLN 8 HB2 GLN 8 3.178 12.961 -3.241 55 HB3 GLN 8 HB1 GLN 8 3.781 13.124 -1.602 56 HG2 GLN 8 HG2 GLN 8 4.724 10.760 -1.924 57 HG3 GLN 8 HG1 GLN 8 4.412 11.069 -3.630 58 HE21 GLN 8 HE21 GLN 8 6.673 11.001 -4.149 59 HE22 GLN 8 HE22 GLN 8 7.711 12.285 -3.698 60 H GLU 9 HN GLU 9 2.422 13.094 0.224 61 HA GLU 9 HA GLU 9 3.922 11.308 1.857 62 HB2 GLU 9 HB2 GLU 9 3.709 13.040 3.631 63 HB3 GLU 9 HB1 GLU 9 4.361 13.664 2.131 64 HG2 GLU 9 HG2 GLU 9 1.468 13.948 2.895 65 HG3 GLU 9 HG1 GLU 9 2.691 15.125 3.356 66 H GLU 10 HN GLU 10 0.662 12.138 1.460 67 HA GLU 10 HA GLU 10 -0.602 11.129 3.721 68 HB2 GLU 10 HB2 GLU 10 -1.681 12.282 1.841 69 HB3 GLU 10 HB1 GLU 10 -1.364 10.894 0.807 70 HG2 GLU 10 HG2 GLU 10 -3.665 10.850 1.471 71 HG3 GLU 10 HG1 GLU 10 -2.832 9.554 2.322 72 H LEU 11 HN LEU 11 0.135 9.497 0.686 73 HA LEU 11 HA LEU 11 -0.422 6.887 1.621 74 HB2 LEU 11 HB2 LEU 11 1.071 7.846 -0.792 75 HB3 LEU 11 HB1 LEU 11 0.563 6.186 -0.528 76 HG LEU 11 HG LEU 11 -1.333 8.524 -0.744 77 HD11 LEU 11 HD11 LEU 11 -0.100 8.161 -2.825 78 HD12 LEU 11 HD12 LEU 11 -1.805 7.739 -2.975 79 HD13 LEU 11 HD13 LEU 11 -0.594 6.465 -2.815 80 HD21 LEU 11 HD21 LEU 11 -3.011 6.777 -1.048 81 HD22 LEU 11 HD22 LEU 11 -2.208 6.625 0.513 82 HD23 LEU 11 HD23 LEU 11 -1.775 5.544 -0.811 83 H LYS 12 HN LYS 12 2.466 8.836 1.611 84 HA LYS 12 HA LYS 12 4.418 6.815 1.961 85 HB2 LYS 12 HB2 LYS 12 4.342 9.640 3.015 86 HB3 LYS 12 HB1 LYS 12 5.727 8.588 3.168 87 HG2 LYS 12 HG2 LYS 12 4.558 9.341 0.508 88 HG3 LYS 12 HG1 LYS 12 5.787 10.305 1.322 89 HD2 LYS 12 HD2 LYS 12 7.280 8.385 1.336 90 HD3 LYS 12 HD1 LYS 12 6.057 7.416 0.504 91 HE2 LYS 12 HE2 LYS 12 6.152 8.864 -1.409 92 HE3 LYS 12 HE1 LYS 12 7.226 9.975 -0.568 93 HZ1 LYS 12 HZ1 LYS 12 7.981 7.153 -1.291 94 HZ2 LYS 12 HZ2 LYS 12 8.961 8.319 -0.607 95 HZ3 LYS 12 HZ3 LYS 12 8.412 8.548 -2.124 96 H GLU 13 HN GLU 13 2.421 8.581 4.298 97 HA GLU 13 HA GLU 13 3.732 7.178 6.473 98 HB2 GLU 13 HB2 GLU 13 1.509 9.203 6.653 99 HB3 GLU 13 HB1 GLU 13 2.556 8.662 7.953 100 HG2 GLU 13 HG2 GLU 13 3.333 10.337 5.569 101 HG3 GLU 13 HG1 GLU 13 3.240 10.846 7.249 102 H MET 14 HN MET 14 0.754 7.017 4.717 103 HA MET 14 HA MET 14 -0.741 5.631 6.684 104 HB2 MET 14 HB2 MET 14 -1.137 5.959 3.729 105 HB3 MET 14 HB1 MET 14 -2.177 4.905 4.676 106 HG2 MET 14 HG2 MET 14 -1.759 7.847 5.147 107 HG3 MET 14 HG1 MET 14 -3.161 7.113 4.367 108 HE1 MET 14 HE1 MET 14 -3.381 9.101 6.847 109 HE2 MET 14 HE2 MET 14 -4.628 8.275 7.787 110 HE3 MET 14 HE3 MET 14 -4.756 8.359 6.031 111 H ALA 15 HN ALA 15 -1.565 3.474 6.543 112 HA ALA 15 HA ALA 15 0.558 1.618 6.428 113 HB1 ALA 15 HB1 ALA 15 -1.127 -0.020 7.091 114 HB2 ALA 15 HB2 ALA 15 -2.401 1.151 6.761 115 HB3 ALA 15 HB3 ALA 15 -1.255 1.442 8.069 116 H LEU 16 HN LEU 16 1.087 0.211 4.931 117 HA LEU 16 HA LEU 16 0.424 0.591 2.260 118 HB2 LEU 16 HB2 LEU 16 1.689 -1.786 3.634 119 HB3 LEU 16 HB1 LEU 16 1.463 -1.668 1.900 120 HG LEU 16 HG LEU 16 3.754 -1.212 2.508 121 HD11 LEU 16 HD11 LEU 16 2.922 -0.166 0.556 122 HD12 LEU 16 HD12 LEU 16 4.070 0.902 1.360 123 HD13 LEU 16 HD13 LEU 16 2.338 1.223 1.478 124 HD21 LEU 16 HD21 LEU 16 2.701 1.133 4.098 125 HD22 LEU 16 HD22 LEU 16 4.400 0.800 3.765 126 HD23 LEU 16 HD23 LEU 16 3.461 -0.315 4.757 127 H VAL 17 HN VAL 17 -0.586 -2.045 4.430 128 HA VAL 17 HA VAL 17 -2.345 -3.253 2.667 129 HB VAL 17 HB VAL 17 -1.550 -4.281 4.761 130 HG11 VAL 17 HG11 VAL 17 -2.665 -3.798 6.899 131 HG12 VAL 17 HG12 VAL 17 -3.469 -2.421 6.143 132 HG13 VAL 17 HG13 VAL 17 -1.713 -2.441 6.297 133 HG21 VAL 17 HG21 VAL 17 -4.543 -4.172 4.488 134 HG22 VAL 17 HG22 VAL 17 -3.647 -5.405 5.374 135 HG23 VAL 17 HG23 VAL 17 -3.447 -5.251 3.627 136 H GLU 18 HN GLU 18 -2.877 -0.404 4.647 137 HA GLU 18 HA GLU 18 -5.726 -0.441 4.371 138 HB2 GLU 18 HB2 GLU 18 -4.634 0.749 6.238 139 HB3 GLU 18 HB1 GLU 18 -3.881 1.851 5.098 140 HG2 GLU 18 HG2 GLU 18 -5.795 2.872 6.218 141 HG3 GLU 18 HG1 GLU 18 -6.055 2.738 4.481 142 H ILE 19 HN ILE 19 -3.074 1.209 2.760 143 HA ILE 19 HA ILE 19 -4.498 2.706 0.866 144 HB ILE 19 HB ILE 19 -1.830 1.288 0.512 145 HG12 ILE 19 HG12 ILE 19 -2.383 4.149 1.341 146 HG13 ILE 19 HG11 ILE 19 -1.928 2.857 2.446 147 HG21 ILE 19 HG21 ILE 19 -2.767 1.950 -1.638 148 HG22 ILE 19 HG22 ILE 19 -1.372 2.953 -1.239 149 HG23 ILE 19 HG23 ILE 19 -3.000 3.596 -1.049 150 HD11 ILE 19 HD11 ILE 19 -0.030 4.268 1.899 151 HD12 ILE 19 HD12 ILE 19 -0.253 3.924 0.183 152 HD13 ILE 19 HD13 ILE 19 0.213 2.631 1.288 153 H ALA 20 HN ALA 20 -3.103 -0.485 0.616 154 HA ALA 20 HA ALA 20 -4.071 -1.316 -1.856 155 HB1 ALA 20 HB1 ALA 20 -2.363 -2.534 -0.574 156 HB2 ALA 20 HB2 ALA 20 -3.660 -3.595 -1.117 157 HB3 ALA 20 HB3 ALA 20 -3.607 -3.059 0.563 158 H HIS 21 HN HIS 21 -5.564 -1.733 1.351 159 HA HIS 21 HA HIS 21 -7.886 -3.043 0.652 160 HB2 HIS 21 HB2 HIS 21 -7.615 -2.819 2.974 161 HB3 HIS 21 HB1 HIS 21 -7.216 -1.103 2.855 162 HD1 HIS 21 HD1 HIS 21 -8.996 0.383 3.701 163 HD2 HIS 21 HD2 HIS 21 -10.581 -3.222 2.372 164 HE1 HIS 21 HE1 HIS 21 -11.464 0.585 3.986 165 HE2 HIS 21 HE2 HIS 21 -12.374 -1.392 2.812 166 H GLU 22 HN GLU 22 -7.214 0.413 0.511 167 HA GLU 22 HA GLU 22 -9.829 1.089 -0.226 168 HB2 GLU 22 HB2 GLU 22 -7.244 2.562 -0.412 169 HB3 GLU 22 HB1 GLU 22 -8.769 3.187 -1.043 170 HG2 GLU 22 HG2 GLU 22 -8.315 2.362 1.812 171 HG3 GLU 22 HG1 GLU 22 -8.238 4.024 1.218 172 H LEU 23 HN LEU 23 -7.024 0.230 -2.216 173 HA LEU 23 HA LEU 23 -8.129 0.931 -4.726 174 HB2 LEU 23 HB2 LEU 23 -6.252 -1.333 -4.019 175 HB3 LEU 23 HB1 LEU 23 -6.860 -1.139 -5.640 176 HG LEU 23 HG LEU 23 -4.672 -0.306 -5.595 177 HD11 LEU 23 HD11 LEU 23 -4.917 2.036 -6.222 178 HD12 LEU 23 HD12 LEU 23 -6.530 2.061 -5.523 179 HD13 LEU 23 HD13 LEU 23 -6.186 1.028 -6.915 180 HD21 LEU 23 HD21 LEU 23 -3.904 1.462 -4.073 181 HD22 LEU 23 HD22 LEU 23 -4.397 -0.012 -3.229 182 HD23 LEU 23 HD23 LEU 23 -5.458 1.387 -3.235 183 H PHE 24 HN PHE 24 -8.443 -1.928 -2.791 184 HA PHE 24 HA PHE 24 -10.102 -3.242 -4.709 185 HB2 PHE 24 HB2 PHE 24 -9.357 -3.946 -1.891 186 HB3 PHE 24 HB1 PHE 24 -10.375 -4.968 -2.901 187 HD1 PHE 24 HD1 PHE 24 -9.452 -5.587 -5.188 188 HD2 PHE 24 HD2 PHE 24 -7.089 -4.169 -1.990 189 HE1 PHE 24 HE1 PHE 24 -7.492 -6.562 -6.226 190 HE2 PHE 24 HE2 PHE 24 -5.095 -5.139 -3.017 191 HZ PHE 24 HZ PHE 24 -5.293 -6.349 -5.158 192 H GLU 25 HN GLU 25 -10.637 -1.340 -1.884 193 HA GLU 25 HA GLU 25 -13.311 -1.921 -1.403 194 HB2 GLU 25 HB2 GLU 25 -11.703 -0.542 -0.004 195 HB3 GLU 25 HB1 GLU 25 -11.988 0.781 -1.123 196 HG2 GLU 25 HG2 GLU 25 -13.319 1.056 0.858 197 HG3 GLU 25 HG1 GLU 25 -14.364 0.743 -0.528 198 H GLU 26 HN GLU 26 -11.824 0.490 -3.567 199 HA GLU 26 HA GLU 26 -14.417 1.190 -4.581 200 HB2 GLU 26 HB2 GLU 26 -12.750 2.949 -4.427 201 HB3 GLU 26 HB1 GLU 26 -11.690 2.068 -5.521 202 HG2 GLU 26 HG2 GLU 26 -12.813 3.878 -6.695 203 HG3 GLU 26 HG1 GLU 26 -13.335 2.317 -7.319 204 H HIS 27 HN HIS 27 -11.622 -0.642 -5.821 205 HA HIS 27 HA HIS 27 -12.671 -1.020 -8.407 206 HB2 HIS 27 HB2 HIS 27 -10.675 -2.706 -6.891 207 HB3 HIS 27 HB1 HIS 27 -11.210 -3.135 -8.507 208 HD1 HIS 27 HD1 HIS 27 -8.247 -2.531 -7.997 209 HD2 HIS 27 HD2 HIS 27 -11.005 0.311 -9.249 210 HE1 HIS 27 HE1 HIS 27 -6.901 -0.721 -9.111 211 HE2 HIS 27 HE2 HIS 27 -8.594 1.010 -9.801 212 H LYS 28 HN LYS 28 -13.069 -3.021 -5.497 213 HA LYS 28 HA LYS 28 -14.505 -4.649 -4.944 214 HB2 LYS 28 HB2 LYS 28 -16.169 -3.489 -7.193 215 HB3 LYS 28 HB1 LYS 28 -16.741 -4.611 -5.960 216 HG2 LYS 28 HG2 LYS 28 -16.478 -3.020 -4.241 217 HG3 LYS 28 HG1 LYS 28 -15.553 -1.944 -5.285 218 HD2 LYS 28 HD2 LYS 28 -17.548 -1.617 -6.678 219 HD3 LYS 28 HD1 LYS 28 -18.464 -2.653 -5.584 220 HE2 LYS 28 HE2 LYS 28 -18.784 -0.229 -5.149 221 HE3 LYS 28 HE1 LYS 28 -18.153 -1.113 -3.767 222 HZ1 LYS 28 HZ1 LYS 28 -17.053 1.041 -4.175 223 HZ2 LYS 28 HZ2 LYS 28 -16.389 0.472 -5.613 224 HZ3 LYS 28 HZ3 LYS 28 -16.011 -0.251 -4.133 225 H LYS 29 HN LYS 29 -12.510 -4.986 -7.062 226 HA LYS 29 HA LYS 29 -13.450 -7.483 -8.202 227 HB2 LYS 29 HB2 LYS 29 -11.846 -5.359 -9.652 228 HB3 LYS 29 HB1 LYS 29 -12.242 -6.940 -10.294 229 HG2 LYS 29 HG2 LYS 29 -14.637 -6.326 -10.238 230 HG3 LYS 29 HG1 LYS 29 -14.183 -4.727 -9.656 231 HD2 LYS 29 HD2 LYS 29 -12.839 -4.386 -11.681 232 HD3 LYS 29 HD1 LYS 29 -13.358 -5.969 -12.271 233 HE2 LYS 29 HE2 LYS 29 -15.678 -5.199 -12.281 234 HE3 LYS 29 HE1 LYS 29 -15.163 -3.627 -11.669 235 HZ1 LYS 29 HZ1 LYS 29 -15.460 -3.501 -14.034 236 HZ2 LYS 29 HZ2 LYS 29 -14.442 -4.812 -14.301 237 HZ3 LYS 29 HZ3 LYS 29 -13.817 -3.376 -13.692 238 HA PRO 30 HA PRO 30 -9.502 -8.766 -6.440 239 HB2 PRO 30 HB2 PRO 30 -9.508 -10.878 -8.514 240 HB3 PRO 30 HB1 PRO 30 -9.505 -11.014 -6.762 241 HG2 PRO 30 HG2 PRO 30 -11.678 -11.610 -8.188 242 HG3 PRO 30 HG1 PRO 30 -11.799 -10.822 -6.604 243 HD2 PRO 30 HD2 PRO 30 -11.985 -9.625 -9.333 244 HD3 PRO 30 HD1 PRO 30 -12.993 -9.340 -7.893 245 H VAL 31 HN VAL 31 -7.503 -8.131 -6.888 246 HA VAL 31 HA VAL 31 -6.701 -7.835 -9.681 247 HB VAL 31 HB VAL 31 -6.034 -5.883 -7.427 248 HG11 VAL 31 HG11 VAL 31 -5.041 -4.486 -9.169 249 HG12 VAL 31 HG12 VAL 31 -5.312 -5.786 -10.333 250 HG13 VAL 31 HG13 VAL 31 -4.220 -6.034 -8.971 251 HG21 VAL 31 HG21 VAL 31 -7.376 -4.230 -8.656 252 HG22 VAL 31 HG22 VAL 31 -8.353 -5.597 -8.121 253 HG23 VAL 31 HG23 VAL 31 -7.853 -5.480 -9.806 254 HA PRO 32 HA PRO 32 -3.389 -10.492 -8.249 255 HB2 PRO 32 HB2 PRO 32 -1.967 -9.096 -10.479 256 HB3 PRO 32 HB1 PRO 32 -2.065 -10.827 -10.129 257 HG2 PRO 32 HG2 PRO 32 -3.541 -9.845 -12.071 258 HG3 PRO 32 HG1 PRO 32 -4.263 -10.988 -10.922 259 HD2 PRO 32 HD2 PRO 32 -4.522 -8.007 -11.037 260 HD3 PRO 32 HD1 PRO 32 -5.765 -9.248 -10.746 261 H PHE 33 HN PHE 33 -1.482 -10.302 -7.197 262 HA PHE 33 HA PHE 33 -1.109 -8.233 -5.440 263 HB2 PHE 33 HB2 PHE 33 -0.197 -10.535 -5.202 264 HB3 PHE 33 HB1 PHE 33 0.988 -10.115 -6.452 265 HD1 PHE 33 HD1 PHE 33 -0.088 -9.346 -3.000 266 HD2 PHE 33 HD2 PHE 33 2.964 -8.987 -5.932 267 HE1 PHE 33 HE1 PHE 33 1.464 -8.516 -1.282 268 HE2 PHE 33 HE2 PHE 33 4.510 -8.154 -4.240 269 HZ PHE 33 HZ PHE 33 3.767 -7.919 -1.897 270 H GLN 34 HN GLN 34 0.696 -8.830 -8.403 271 HA GLN 34 HA GLN 34 2.454 -6.661 -7.990 272 HB2 GLN 34 HB2 GLN 34 3.048 -8.646 -9.307 273 HB3 GLN 34 HB1 GLN 34 1.871 -8.182 -10.524 274 HG2 GLN 34 HG2 GLN 34 4.158 -7.618 -11.169 275 HG3 GLN 34 HG1 GLN 34 3.117 -6.183 -11.011 276 HE21 GLN 34 HE21 GLN 34 3.586 -4.710 -9.366 277 HE22 GLN 34 HE22 GLN 34 5.074 -4.788 -8.485 278 H GLU 35 HN GLU 35 -0.658 -6.933 -9.588 279 HA GLU 35 HA GLU 35 -0.268 -4.500 -11.041 280 HB2 GLU 35 HB2 GLU 35 -2.749 -6.186 -10.673 281 HB3 GLU 35 HB1 GLU 35 -2.668 -4.746 -11.677 282 HG2 GLU 35 HG2 GLU 35 -0.868 -5.880 -12.998 283 HG3 GLU 35 HG1 GLU 35 -1.203 -7.343 -12.074 284 H LEU 36 HN LEU 36 -1.770 -5.496 -8.049 285 HA LEU 36 HA LEU 36 -3.109 -3.050 -7.609 286 HB2 LEU 36 HB2 LEU 36 -3.480 -3.771 -5.326 287 HB3 LEU 36 HB1 LEU 36 -3.684 -5.141 -6.383 288 HG LEU 36 HG LEU 36 -1.199 -5.660 -5.667 289 HD11 LEU 36 HD11 LEU 36 -0.818 -3.636 -4.413 290 HD12 LEU 36 HD12 LEU 36 -0.721 -5.050 -3.366 291 HD13 LEU 36 HD13 LEU 36 -2.158 -4.027 -3.333 292 HD21 LEU 36 HD21 LEU 36 -3.553 -6.148 -3.849 293 HD22 LEU 36 HD22 LEU 36 -2.035 -7.038 -3.827 294 HD23 LEU 36 HD23 LEU 36 -3.088 -7.130 -5.240 295 H LEU 37 HN LEU 37 0.132 -4.105 -7.045 296 HA LEU 37 HA LEU 37 0.976 -1.908 -5.466 297 HB2 LEU 37 HB2 LEU 37 2.489 -3.847 -7.180 298 HB3 LEU 37 HB1 LEU 37 3.243 -2.687 -6.102 299 HG LEU 37 HG LEU 37 1.324 -4.805 -5.158 300 HD11 LEU 37 HD11 LEU 37 4.320 -4.800 -5.182 301 HD12 LEU 37 HD12 LEU 37 3.281 -5.828 -6.173 302 HD13 LEU 37 HD13 LEU 37 3.293 -6.009 -4.418 303 HD21 LEU 37 HD21 LEU 37 2.320 -4.294 -2.980 304 HD22 LEU 37 HD22 LEU 37 1.532 -2.888 -3.683 305 HD23 LEU 37 HD23 LEU 37 3.291 -3.022 -3.723 306 H ASN 38 HN ASN 38 1.016 -2.624 -8.904 307 HA ASN 38 HA ASN 38 2.327 -0.273 -9.697 308 HB2 ASN 38 HB2 ASN 38 0.419 -2.088 -11.186 309 HB3 ASN 38 HB1 ASN 38 1.173 -0.689 -11.939 310 HD21 ASN 38 HD21 ASN 38 2.220 -2.044 -13.431 311 HD22 ASN 38 HD22 ASN 38 3.590 -2.990 -12.984 312 H GLU 39 HN GLU 39 -1.070 -0.982 -9.131 313 HA GLU 39 HA GLU 39 -2.163 1.502 -9.827 314 HB2 GLU 39 HB2 GLU 39 -2.981 -0.365 -7.582 315 HB3 GLU 39 HB1 GLU 39 -3.955 0.966 -8.178 316 HG2 GLU 39 HG2 GLU 39 -3.128 -1.432 -9.803 317 HG3 GLU 39 HG1 GLU 39 -4.679 -1.250 -8.994 318 H ILE 40 HN ILE 40 -0.973 0.336 -6.678 319 HA ILE 40 HA ILE 40 -1.278 2.686 -5.200 320 HB ILE 40 HB ILE 40 0.797 0.489 -4.852 321 HG12 ILE 40 HG12 ILE 40 -1.847 0.940 -3.451 322 HG13 ILE 40 HG11 ILE 40 -1.554 -0.258 -4.704 323 HG21 ILE 40 HG21 ILE 40 1.017 1.265 -2.521 324 HG22 ILE 40 HG22 ILE 40 -0.010 2.650 -2.902 325 HG23 ILE 40 HG23 ILE 40 1.559 2.472 -3.687 326 HD11 ILE 40 HD11 ILE 40 -1.564 -1.264 -2.493 327 HD12 ILE 40 HD12 ILE 40 -0.264 -0.188 -1.981 328 HD13 ILE 40 HD13 ILE 40 0.032 -1.397 -3.232 329 H ALA 41 HN ALA 41 1.497 1.566 -7.077 330 HA ALA 41 HA ALA 41 3.253 3.662 -6.485 331 HB1 ALA 41 HB1 ALA 41 3.176 2.014 -9.010 332 HB2 ALA 41 HB2 ALA 41 3.958 1.538 -7.503 333 HB3 ALA 41 HB3 ALA 41 4.548 2.942 -8.395 334 H SER 42 HN SER 42 0.686 3.435 -8.812 335 HA SER 42 HA SER 42 1.425 5.881 -10.118 336 HB2 SER 42 HB2 SER 42 -1.201 4.399 -10.215 337 HB3 SER 42 HB1 SER 42 -0.639 5.619 -11.365 338 HG SER 42 HG SER 42 0.312 2.992 -10.941 339 H LEU 43 HN LEU 43 -0.931 5.110 -7.596 340 HA LEU 43 HA LEU 43 -1.861 7.790 -7.455 341 HB2 LEU 43 HB2 LEU 43 -1.999 5.502 -5.498 342 HB3 LEU 43 HB1 LEU 43 -2.490 7.104 -5.007 343 HG LEU 43 HG LEU 43 -4.435 5.818 -5.562 344 HD11 LEU 43 HD11 LEU 43 -5.484 7.211 -7.247 345 HD12 LEU 43 HD12 LEU 43 -3.911 7.835 -7.723 346 HD13 LEU 43 HD13 LEU 43 -4.534 8.159 -6.104 347 HD21 LEU 43 HD21 LEU 43 -4.863 4.932 -7.810 348 HD22 LEU 43 HD22 LEU 43 -3.461 4.163 -7.066 349 HD23 LEU 43 HD23 LEU 43 -3.235 5.401 -8.300 350 H LEU 44 HN LEU 44 0.753 6.100 -5.968 351 HA LEU 44 HA LEU 44 1.670 8.313 -4.405 352 HB2 LEU 44 HB2 LEU 44 2.680 5.618 -5.146 353 HB3 LEU 44 HB1 LEU 44 3.837 6.831 -4.653 354 HG LEU 44 HG LEU 44 1.512 6.046 -2.907 355 HD11 LEU 44 HD11 LEU 44 4.352 4.999 -2.907 356 HD12 LEU 44 HD12 LEU 44 2.949 4.080 -3.436 357 HD13 LEU 44 HD13 LEU 44 3.088 4.584 -1.748 358 HD21 LEU 44 HD21 LEU 44 2.963 7.009 -1.184 359 HD22 LEU 44 HD22 LEU 44 2.591 8.194 -2.435 360 HD23 LEU 44 HD23 LEU 44 4.164 7.400 -2.411 361 H GLY 45 HN GLY 45 2.574 10.024 -5.321 362 HA2 GLY 45 HA2 GLY 45 3.826 9.984 -7.907 363 HA3 GLY 45 HA1 GLY 45 3.997 11.280 -6.726 364 H VAL 46 HN VAL 46 5.045 7.932 -7.253 365 HA VAL 46 HA VAL 46 7.738 8.644 -6.287 366 HB VAL 46 HB VAL 46 7.936 6.573 -5.037 367 HG11 VAL 46 HG11 VAL 46 6.352 6.958 -3.203 368 HG12 VAL 46 HG12 VAL 46 5.474 8.093 -4.236 369 HG13 VAL 46 HG13 VAL 46 7.136 8.428 -3.771 370 HG21 VAL 46 HG21 VAL 46 5.094 5.992 -5.895 371 HG22 VAL 46 HG22 VAL 46 5.945 5.108 -4.631 372 HG23 VAL 46 HG23 VAL 46 6.546 5.072 -6.287 373 H LYS 47 HN LYS 47 9.075 6.465 -6.615 374 HA LYS 47 HA LYS 47 8.638 5.588 -9.372 375 HB2 LYS 47 HB2 LYS 47 11.060 5.507 -7.600 376 HB3 LYS 47 HB1 LYS 47 10.987 4.859 -9.220 377 HG2 LYS 47 HG2 LYS 47 10.750 7.035 -10.176 378 HG3 LYS 47 HG1 LYS 47 10.573 7.768 -8.575 379 HD2 LYS 47 HD2 LYS 47 12.947 6.138 -9.272 380 HD3 LYS 47 HD1 LYS 47 12.911 7.879 -9.683 381 HE2 LYS 47 HE2 LYS 47 12.661 8.380 -7.328 382 HE3 LYS 47 HE1 LYS 47 12.483 6.685 -6.936 383 HZ1 LYS 47 HZ1 LYS 47 14.622 7.357 -6.405 384 HZ2 LYS 47 HZ2 LYS 47 14.914 8.013 -7.951 385 HZ3 LYS 47 HZ3 LYS 47 14.740 6.339 -7.733 386 H LYS 48 HN LYS 48 9.214 3.297 -9.695 387 HA LYS 48 HA LYS 48 7.674 1.730 -7.915 388 HB2 LYS 48 HB2 LYS 48 7.707 1.289 -10.301 389 HB3 LYS 48 HB1 LYS 48 9.421 0.904 -10.222 390 HG2 LYS 48 HG2 LYS 48 8.446 -1.175 -10.221 391 HG3 LYS 48 HG1 LYS 48 8.759 -0.844 -8.519 392 HD2 LYS 48 HD2 LYS 48 6.520 -1.715 -8.523 393 HD3 LYS 48 HD1 LYS 48 6.319 0.026 -8.429 394 HE2 LYS 48 HE2 LYS 48 4.800 -0.915 -10.054 395 HE3 LYS 48 HE1 LYS 48 5.982 0.125 -10.849 396 HZ1 LYS 48 HZ1 LYS 48 6.070 -2.851 -10.747 397 HZ2 LYS 48 HZ2 LYS 48 7.234 -1.902 -11.476 398 HZ3 LYS 48 HZ3 LYS 48 5.669 -1.925 -12.090 399 H GLU 49 HN GLU 49 11.128 2.197 -8.351 400 HA GLU 49 HA GLU 49 11.991 -0.258 -7.316 401 HB2 GLU 49 HB2 GLU 49 13.587 2.283 -7.150 402 HB3 GLU 49 HB1 GLU 49 14.179 0.636 -7.294 403 HG2 GLU 49 HG2 GLU 49 12.845 2.313 -9.396 404 HG3 GLU 49 HG1 GLU 49 14.473 1.675 -9.394 405 H GLU 50 HN GLU 50 11.882 2.890 -5.703 406 HA GLU 50 HA GLU 50 12.641 2.050 -3.156 407 HB2 GLU 50 HB2 GLU 50 10.806 4.093 -2.636 408 HB3 GLU 50 HB1 GLU 50 12.530 4.275 -2.848 409 HG2 GLU 50 HG2 GLU 50 10.568 4.494 -5.167 410 HG3 GLU 50 HG1 GLU 50 11.111 5.871 -4.187 411 H LEU 51 HN LEU 51 9.427 2.311 -4.532 412 HA LEU 51 HA LEU 51 8.089 1.318 -2.254 413 HB2 LEU 51 HB2 LEU 51 6.994 2.667 -4.022 414 HB3 LEU 51 HB1 LEU 51 7.189 1.334 -5.139 415 HG LEU 51 HG LEU 51 5.715 -0.043 -3.666 416 HD11 LEU 51 HD11 LEU 51 5.252 2.564 -2.236 417 HD12 LEU 51 HD12 LEU 51 6.027 1.128 -1.569 418 HD13 LEU 51 HD13 LEU 51 4.321 1.086 -2.008 419 HD21 LEU 51 HD21 LEU 51 3.632 1.048 -4.347 420 HD22 LEU 51 HD22 LEU 51 4.832 1.038 -5.638 421 HD23 LEU 51 HD23 LEU 51 4.534 2.517 -4.724 422 H GLY 52 HN GLY 52 9.936 -0.159 -4.687 423 HA2 GLY 52 HA2 GLY 52 8.768 -2.734 -4.754 424 HA3 GLY 52 HA1 GLY 52 10.384 -2.304 -5.301 425 H ASP 53 HN ASP 53 11.457 -1.347 -2.943 426 HA ASP 53 HA ASP 53 11.902 -3.837 -1.569 427 HB2 ASP 53 HB2 ASP 53 13.605 -1.951 -1.744 428 HB3 ASP 53 HB1 ASP 53 12.686 -1.126 -0.478 429 H ARG 54 HN ARG 54 9.946 -1.049 -1.135 430 HA ARG 54 HA ARG 54 8.957 -1.826 1.396 431 HB2 ARG 54 HB2 ARG 54 8.844 0.501 0.173 432 HB3 ARG 54 HB1 ARG 54 7.345 -0.144 -0.483 433 HG2 ARG 54 HG2 ARG 54 6.440 -0.430 1.743 434 HG3 ARG 54 HG1 ARG 54 7.967 0.094 2.458 435 HD2 ARG 54 HD2 ARG 54 7.667 2.255 1.195 436 HD3 ARG 54 HD1 ARG 54 6.030 1.722 0.831 437 HE ARG 54 HE ARG 54 6.678 1.670 3.643 438 HH11 ARG 54 HH11 ARG 54 5.683 3.849 1.071 439 HH12 ARG 54 HH12 ARG 54 4.744 4.841 2.121 440 HH21 ARG 54 HH21 ARG 54 5.664 3.032 5.007 441 HH22 ARG 54 HH22 ARG 54 4.792 4.429 4.462 442 H ILE 55 HN ILE 55 8.381 -2.968 -1.791 443 HA ILE 55 HA ILE 55 5.845 -4.199 -1.408 444 HB ILE 55 HB ILE 55 8.105 -4.877 -3.341 445 HG12 ILE 55 HG12 ILE 55 5.405 -3.616 -3.854 446 HG13 ILE 55 HG11 ILE 55 6.928 -2.755 -3.778 447 HG21 ILE 55 HG21 ILE 55 6.915 -6.950 -2.962 448 HG22 ILE 55 HG22 ILE 55 6.538 -6.339 -4.577 449 HG23 ILE 55 HG23 ILE 55 5.373 -6.152 -3.275 450 HD11 ILE 55 HD11 ILE 55 7.715 -3.986 -5.773 451 HD12 ILE 55 HD12 ILE 55 6.226 -3.101 -6.094 452 HD13 ILE 55 HD13 ILE 55 6.183 -4.842 -5.832 453 H ALA 56 HN ALA 56 9.187 -5.209 -0.944 454 HA ALA 56 HA ALA 56 8.690 -7.833 -0.006 455 HB1 ALA 56 HB1 ALA 56 10.848 -5.914 0.904 456 HB2 ALA 56 HB2 ALA 56 10.963 -7.015 -0.469 457 HB3 ALA 56 HB3 ALA 56 10.851 -7.657 1.170 458 H GLN 57 HN GLN 57 8.897 -4.796 1.695 459 HA GLN 57 HA GLN 57 8.240 -5.606 4.307 460 HB2 GLN 57 HB2 GLN 57 9.145 -3.381 3.452 461 HB3 GLN 57 HB1 GLN 57 7.515 -3.000 2.964 462 HG2 GLN 57 HG2 GLN 57 8.372 -3.507 5.813 463 HG3 GLN 57 HG1 GLN 57 8.294 -1.932 5.048 464 HE21 GLN 57 HE21 GLN 57 6.570 -4.411 6.665 465 HE22 GLN 57 HE22 GLN 57 5.039 -3.647 6.666 466 H PHE 58 HN PHE 58 6.239 -4.573 1.587 467 HA PHE 58 HA PHE 58 3.772 -4.696 2.873 468 HB2 PHE 58 HB2 PHE 58 4.051 -3.449 0.817 469 HB3 PHE 58 HB1 PHE 58 4.428 -4.907 -0.074 470 HD1 PHE 58 HD2 PHE 58 1.730 -3.570 2.106 471 HD2 PHE 58 HD1 PHE 58 2.748 -5.784 -1.362 472 HE1 PHE 58 HE2 PHE 58 -0.656 -3.775 1.551 473 HE2 PHE 58 HE1 PHE 58 0.373 -6.012 -1.924 474 HZ PHE 58 HZ PHE 58 -1.340 -5.002 -0.469 475 H TYR 59 HN TYR 59 5.625 -7.217 1.224 476 HA TYR 59 HA TYR 59 3.678 -9.222 1.310 477 HB2 TYR 59 HB2 TYR 59 6.667 -9.304 1.474 478 HB3 TYR 59 HB1 TYR 59 5.774 -10.758 1.874 479 HD1 TYR 59 HD1 TYR 59 4.093 -11.589 0.083 480 HD2 TYR 59 HD2 TYR 59 7.253 -8.875 -0.742 481 HE1 TYR 59 HE1 TYR 59 4.028 -12.248 -2.281 482 HE2 TYR 59 HE2 TYR 59 7.194 -9.514 -3.108 483 HH TYR 59 HH TYR 59 4.653 -11.326 -4.454 484 H THR 60 HN THR 60 6.009 -8.223 3.781 485 HA THR 60 HA THR 60 5.127 -9.919 5.803 486 HB THR 60 HB THR 60 6.343 -7.150 6.036 487 HG1 THR 60 HG1 THR 60 8.292 -8.567 6.342 488 HG21 THR 60 HG21 THR 60 5.411 -7.932 8.171 489 HG22 THR 60 HG22 THR 60 7.175 -7.954 8.229 490 HG23 THR 60 HG23 THR 60 6.281 -9.455 8.006 491 H ASP 61 HN ASP 61 4.239 -6.519 5.170 492 HA ASP 61 HA ASP 61 2.446 -6.119 7.294 493 HB2 ASP 61 HB2 ASP 61 3.415 -4.273 5.950 494 HB3 ASP 61 HB1 ASP 61 2.413 -4.758 4.591 495 H LEU 62 HN LEU 62 1.786 -7.154 4.007 496 HA LEU 62 HA LEU 62 -1.035 -7.167 4.309 497 HB2 LEU 62 HB2 LEU 62 0.108 -6.835 2.177 498 HB3 LEU 62 HB1 LEU 62 0.743 -8.460 2.257 499 HG LEU 62 HG LEU 62 -1.537 -9.348 2.051 500 HD11 LEU 62 HD11 LEU 62 -2.762 -7.486 3.048 501 HD12 LEU 62 HD12 LEU 62 -3.354 -7.822 1.422 502 HD13 LEU 62 HD13 LEU 62 -2.288 -6.446 1.706 503 HD21 LEU 62 HD21 LEU 62 -1.855 -8.712 -0.287 504 HD22 LEU 62 HD22 LEU 62 -0.167 -9.046 0.090 505 HD23 LEU 62 HD23 LEU 62 -0.722 -7.378 -0.071 506 H ASN 63 HN ASN 63 1.481 -9.592 4.762 507 HA ASN 63 HA ASN 63 -0.464 -11.723 4.793 508 HB2 ASN 63 HB2 ASN 63 1.902 -12.014 3.962 509 HB3 ASN 63 HB1 ASN 63 2.432 -11.920 5.628 510 HD21 ASN 63 HD21 ASN 63 0.758 -13.828 3.259 511 HD22 ASN 63 HD22 ASN 63 0.726 -15.299 4.131 512 H ILE 64 HN ILE 64 0.772 -9.527 7.091 513 HA ILE 64 HA ILE 64 -0.134 -11.214 9.298 514 HB ILE 64 HB ILE 64 0.674 -9.457 10.835 515 HG12 ILE 64 HG12 ILE 64 1.639 -8.031 8.340 516 HG13 ILE 64 HG11 ILE 64 0.311 -7.501 9.362 517 HG21 ILE 64 HG21 ILE 64 2.173 -11.236 10.225 518 HG22 ILE 64 HG22 ILE 64 3.073 -9.730 10.429 519 HG23 ILE 64 HG23 ILE 64 2.707 -10.328 8.810 520 HD11 ILE 64 HD11 ILE 64 2.330 -6.223 9.796 521 HD12 ILE 64 HD12 ILE 64 3.204 -7.707 10.181 522 HD13 ILE 64 HD13 ILE 64 1.878 -7.170 11.214 523 H ASP 65 HN ASP 65 -1.626 -9.499 7.141 524 HA ASP 65 HA ASP 65 -3.433 -8.056 8.900 525 HB2 ASP 65 HB2 ASP 65 -2.737 -6.942 6.829 526 HB3 ASP 65 HB1 ASP 65 -3.324 -8.300 5.879 527 H GLY 66 HN GLY 66 -5.736 -8.524 8.873 528 HA2 GLY 66 HA2 GLY 66 -6.390 -11.204 7.870 529 HA3 GLY 66 HA1 GLY 66 -6.825 -10.697 9.522 530 H ARG 67 HN ARG 67 -6.897 -8.427 6.920 531 HA ARG 67 HA ARG 67 -9.834 -8.282 7.086 532 HB2 ARG 67 HB2 ARG 67 -8.399 -6.375 7.841 533 HB3 ARG 67 HB1 ARG 67 -7.745 -6.282 6.226 534 HG2 ARG 67 HG2 ARG 67 -9.974 -5.655 5.390 535 HG3 ARG 67 HG1 ARG 67 -10.584 -5.706 7.055 536 HD2 ARG 67 HD2 ARG 67 -8.799 -4.106 7.700 537 HD3 ARG 67 HD1 ARG 67 -8.361 -3.985 6.004 538 HE ARG 67 HE ARG 67 -11.060 -3.349 6.284 539 HH11 ARG 67 HH11 ARG 67 -7.814 -2.114 7.054 540 HH12 ARG 67 HH12 ARG 67 -8.249 -0.472 7.122 541 HH21 ARG 67 HH21 ARG 67 -11.736 -1.031 6.498 542 HH22 ARG 67 HH22 ARG 67 -10.563 0.138 6.891 543 H PHE 68 HN PHE 68 -6.983 -8.413 5.100 544 HA PHE 68 HA PHE 68 -8.271 -8.358 2.579 545 HB2 PHE 68 HB2 PHE 68 -5.574 -8.510 3.617 546 HB3 PHE 68 HB1 PHE 68 -5.812 -9.533 2.204 547 HD1 PHE 68 HD2 PHE 68 -6.174 -6.058 3.449 548 HD2 PHE 68 HD1 PHE 68 -5.907 -8.644 0.103 549 HE1 PHE 68 HE2 PHE 68 -5.934 -4.113 1.957 550 HE2 PHE 68 HE1 PHE 68 -5.662 -6.723 -1.387 551 HZ PHE 68 HZ PHE 68 -5.675 -4.466 -0.490 552 H LEU 69 HN LEU 69 -7.713 -10.129 1.021 553 HA LEU 69 HA LEU 69 -8.029 -12.823 2.076 554 HB2 LEU 69 HB2 LEU 69 -10.295 -12.182 1.780 555 HB3 LEU 69 HB1 LEU 69 -9.971 -11.346 0.310 556 HG LEU 69 HG LEU 69 -9.566 -13.539 -0.791 557 HD11 LEU 69 HD11 LEU 69 -10.516 -14.654 1.839 558 HD12 LEU 69 HD12 LEU 69 -8.914 -14.855 1.116 559 HD13 LEU 69 HD13 LEU 69 -10.326 -15.563 0.339 560 HD21 LEU 69 HD21 LEU 69 -12.187 -13.230 0.603 561 HD22 LEU 69 HD22 LEU 69 -11.885 -14.133 -0.886 562 HD23 LEU 69 HD23 LEU 69 -11.701 -12.377 -0.860 563 H ALA 70 HN ALA 70 -6.634 -14.097 0.975 564 HA ALA 70 HA ALA 70 -5.745 -13.272 -1.662 565 HB1 ALA 70 HB1 ALA 70 -4.901 -15.630 0.045 566 HB2 ALA 70 HB2 ALA 70 -3.966 -14.146 -0.215 567 HB3 ALA 70 HB3 ALA 70 -4.276 -15.259 -1.554 568 H LEU 71 HN LEU 71 -7.141 -13.688 -3.087 569 HA LEU 71 HA LEU 71 -9.000 -15.822 -2.999 570 HB2 LEU 71 HB2 LEU 71 -8.200 -13.855 -5.136 571 HB3 LEU 71 HB1 LEU 71 -9.558 -14.964 -5.274 572 HG LEU 71 HG LEU 71 -9.465 -13.158 -2.901 573 HD11 LEU 71 HD11 LEU 71 -10.376 -12.357 -5.633 574 HD12 LEU 71 HD12 LEU 71 -8.950 -11.708 -4.805 575 HD13 LEU 71 HD13 LEU 71 -10.565 -11.414 -4.155 576 HD21 LEU 71 HD21 LEU 71 -11.826 -13.217 -3.203 577 HD22 LEU 71 HD22 LEU 71 -11.178 -14.869 -3.166 578 HD23 LEU 71 HD23 LEU 71 -11.636 -14.111 -4.710 579 H SER 72 HN SER 72 -9.078 -16.836 -5.491 580 HA SER 72 HA SER 72 -7.932 -19.187 -5.350 581 HB2 SER 72 HB2 SER 72 -8.353 -17.748 -7.935 582 HB3 SER 72 HB1 SER 72 -8.554 -19.472 -7.590 583 HG SER 72 HG SER 72 -10.184 -18.672 -5.937 584 H ASP 73 HN ASP 73 -6.205 -16.458 -6.928 585 HA ASP 73 HA ASP 73 -3.896 -18.293 -7.180 586 HB2 ASP 73 HB2 ASP 73 -5.090 -17.701 -9.352 587 HB3 ASP 73 HB1 ASP 73 -4.571 -16.047 -9.097 588 H GLN 74 HN GLN 74 -4.272 -16.752 -4.892 589 HA GLN 74 HA GLN 74 -3.236 -15.284 -3.509 590 HB2 GLN 74 HB2 GLN 74 -1.062 -15.839 -5.480 591 HB3 GLN 74 HB1 GLN 74 -0.855 -14.399 -4.500 592 HG2 GLN 74 HG2 GLN 74 0.275 -16.361 -3.543 593 HG3 GLN 74 HG1 GLN 74 -0.953 -15.702 -2.471 594 HE21 GLN 74 HE21 GLN 74 -1.507 -17.748 -5.271 595 HE22 GLN 74 HE22 GLN 74 -2.216 -19.037 -4.380 596 H THR 75 HN THR 75 -4.789 -14.602 -5.751 597 HA THR 75 HA THR 75 -4.203 -11.886 -6.510 598 HB THR 75 HB THR 75 -6.825 -13.391 -6.653 599 HG1 THR 75 HG1 THR 75 -4.402 -13.817 -7.874 600 HG21 THR 75 HG21 THR 75 -6.860 -10.999 -7.292 601 HG22 THR 75 HG22 THR 75 -7.151 -12.048 -8.681 602 HG23 THR 75 HG23 THR 75 -5.568 -11.305 -8.454 603 H TRP 76 HN TRP 76 -4.790 -10.138 -5.155 604 HA TRP 76 HA TRP 76 -6.102 -11.034 -2.743 605 HB2 TRP 76 HB2 TRP 76 -4.430 -8.582 -3.283 606 HB3 TRP 76 HB1 TRP 76 -5.247 -8.905 -1.763 607 HD1 TRP 76 HD1 TRP 76 -2.270 -10.030 -3.862 608 HE1 TRP 76 HE1 TRP 76 -0.706 -11.457 -2.417 609 HE3 TRP 76 HE3 TRP 76 -5.195 -10.484 0.311 610 HZ2 TRP 76 HZ2 TRP 76 -0.689 -12.610 0.187 611 HZ3 TRP 76 HZ3 TRP 76 -4.328 -11.753 2.224 612 HH2 TRP 76 HH2 TRP 76 -2.124 -12.796 2.158 613 H GLY 77 HN GLY 77 -7.490 -9.641 -1.689 614 HA2 GLY 77 HA2 GLY 77 -8.809 -7.544 -2.920 615 HA3 GLY 77 HA1 GLY 77 -9.712 -9.042 -3.171 616 H LEU 78 HN LEU 78 -11.346 -8.411 -1.850 617 HA LEU 78 HA LEU 78 -10.638 -8.195 0.981 618 HB2 LEU 78 HB2 LEU 78 -12.891 -6.800 -0.451 619 HB3 LEU 78 HB1 LEU 78 -12.608 -6.753 1.275 620 HG LEU 78 HG LEU 78 -10.792 -5.605 -0.843 621 HD11 LEU 78 HD11 LEU 78 -12.590 -4.261 1.161 622 HD12 LEU 78 HD12 LEU 78 -12.850 -4.345 -0.580 623 HD13 LEU 78 HD13 LEU 78 -11.476 -3.446 0.063 624 HD21 LEU 78 HD21 LEU 78 -9.558 -4.628 1.046 625 HD22 LEU 78 HD22 LEU 78 -9.508 -6.386 1.074 626 HD23 LEU 78 HD23 LEU 78 -10.583 -5.520 2.172 627 H ARG 79 HN ARG 79 -11.655 -9.476 2.304 628 HA ARG 79 HA ARG 79 -13.202 -11.626 1.237 629 HB2 ARG 79 HB2 ARG 79 -13.303 -12.400 3.576 630 HB3 ARG 79 HB1 ARG 79 -11.664 -12.060 3.073 631 HG2 ARG 79 HG2 ARG 79 -11.804 -9.879 4.215 632 HG3 ARG 79 HG1 ARG 79 -13.415 -10.315 4.782 633 HD2 ARG 79 HD2 ARG 79 -12.384 -12.362 5.769 634 HD3 ARG 79 HD1 ARG 79 -10.819 -11.681 5.376 635 HE ARG 79 HE ARG 79 -11.677 -9.679 6.715 636 HH11 ARG 79 HH11 ARG 79 -12.391 -13.056 7.522 637 HH12 ARG 79 HH12 ARG 79 -12.438 -12.794 9.200 638 HH21 ARG 79 HH21 ARG 79 -11.768 -9.334 9.056 639 HH22 ARG 79 HH22 ARG 79 -12.069 -10.659 10.088 640 H SER 80 HN SER 80 -13.960 -8.531 2.342 641 HA SER 80 HA SER 80 -16.475 -9.082 3.475 642 HB2 SER 80 HB2 SER 80 -16.490 -6.490 3.222 643 HB3 SER 80 HB1 SER 80 -15.395 -7.268 4.372 644 HG SER 80 HG SER 80 -14.337 -5.729 3.050 645 H TRP 81 HN TRP 81 -15.487 -9.121 0.268 646 HA TRP 81 HA TRP 81 -17.825 -7.835 -0.863 647 HB2 TRP 81 HB2 TRP 81 -15.794 -9.635 -2.172 648 HB3 TRP 81 HB1 TRP 81 -17.091 -8.809 -3.010 649 HD1 TRP 81 HD1 TRP 81 -16.614 -5.911 -1.600 650 HE1 TRP 81 HE1 TRP 81 -14.579 -4.557 -2.396 651 HE3 TRP 81 HE3 TRP 81 -13.822 -9.716 -3.578 652 HZ2 TRP 81 HZ2 TRP 81 -12.143 -5.046 -3.704 653 HZ3 TRP 81 HZ3 TRP 81 -11.666 -9.183 -4.589 654 HH2 TRP 81 HH2 TRP 81 -10.836 -6.907 -4.651 655 H TYR 82 HN TYR 82 -16.907 -11.071 0.074 656 HA TYR 82 HA TYR 82 -19.403 -12.127 -1.085 657 HB2 TYR 82 HB2 TYR 82 -16.838 -13.703 -1.055 658 HB3 TYR 82 HB1 TYR 82 -18.282 -13.987 -1.999 659 HD1 TYR 82 HD1 TYR 82 -18.747 -12.264 -3.947 660 HD2 TYR 82 HD2 TYR 82 -15.005 -12.665 -1.967 661 HE1 TYR 82 HE1 TYR 82 -17.611 -11.256 -5.880 662 HE2 TYR 82 HE2 TYR 82 -13.861 -11.680 -3.840 663 HH TYR 82 HH TYR 82 -14.206 -11.330 -6.226 Start of MODEL 12 1 H1 GLY 2 HT1 GLY 2 -9.733 5.814 -0.026 2 H2 GLY 2 HT2 GLY 2 -10.860 6.236 -1.190 3 H3 GLY 2 HT3 GLY 2 -10.835 7.042 0.271 4 HA2 GLY 2 HA1 GLY 2 -9.968 8.487 -1.359 5 HA3 GLY 2 HA2 GLY 2 -8.673 7.995 -0.279 6 H ILE 3 HN ILE 3 -7.021 6.818 -1.027 7 HA ILE 3 HA ILE 3 -5.318 6.662 -2.337 8 HB ILE 3 HB ILE 3 -5.015 4.736 -3.641 9 HG12 ILE 3 HG12 ILE 3 -7.064 4.703 -5.040 10 HG13 ILE 3 HG11 ILE 3 -6.727 3.152 -4.319 11 HG21 ILE 3 HG21 ILE 3 -5.030 4.504 -1.323 12 HG22 ILE 3 HG22 ILE 3 -5.727 3.050 -2.051 13 HG23 ILE 3 HG23 ILE 3 -6.772 4.269 -1.308 14 HD11 ILE 3 HD11 ILE 3 -9.111 3.686 -4.369 15 HD12 ILE 3 HD12 ILE 3 -8.814 5.084 -3.327 16 HD13 ILE 3 HD13 ILE 3 -8.503 3.447 -2.738 17 H LYS 4 HN LYS 4 -7.827 6.973 -4.738 18 HA LYS 4 HA LYS 4 -5.826 7.928 -6.568 19 HB2 LYS 4 HB2 LYS 4 -7.772 8.325 -8.108 20 HB3 LYS 4 HB1 LYS 4 -7.588 6.664 -7.572 21 HG2 LYS 4 HG2 LYS 4 -9.361 7.034 -5.911 22 HG3 LYS 4 HG1 LYS 4 -9.565 8.674 -6.526 23 HD2 LYS 4 HD2 LYS 4 -10.135 7.787 -8.716 24 HD3 LYS 4 HD1 LYS 4 -9.909 6.140 -8.123 25 HE2 LYS 4 HE2 LYS 4 -12.258 6.647 -8.123 26 HE3 LYS 4 HE1 LYS 4 -11.694 6.545 -6.462 27 HZ1 LYS 4 HZ1 LYS 4 -11.568 9.035 -6.480 28 HZ2 LYS 4 HZ2 LYS 4 -13.092 8.358 -6.620 29 HZ3 LYS 4 HZ3 LYS 4 -12.350 8.987 -8.000 30 H GLN 5 HN GLN 5 -7.291 9.180 -3.998 31 HA GLN 5 HA GLN 5 -6.244 11.707 -4.706 32 HB2 GLN 5 HB2 GLN 5 -8.126 13.056 -3.859 33 HB3 GLN 5 HB1 GLN 5 -8.548 12.152 -5.293 34 HG2 GLN 5 HG2 GLN 5 -9.267 11.205 -2.541 35 HG3 GLN 5 HG1 GLN 5 -10.230 12.380 -3.424 36 HE21 GLN 5 HE21 GLN 5 -10.986 9.747 -2.499 37 HE22 GLN 5 HE22 GLN 5 -11.494 8.853 -3.855 38 H TYR 6 HN TYR 6 -4.702 11.493 -3.441 39 HA TYR 6 HA TYR 6 -4.928 12.178 -0.663 40 HB2 TYR 6 HB2 TYR 6 -3.663 9.538 -1.441 41 HB3 TYR 6 HB1 TYR 6 -3.154 10.441 -0.036 42 HD1 TYR 6 HD2 TYR 6 -5.700 11.303 1.125 43 HD2 TYR 6 HD1 TYR 6 -4.628 7.624 -0.661 44 HE1 TYR 6 HE2 TYR 6 -7.406 10.163 2.458 45 HE2 TYR 6 HE1 TYR 6 -6.302 6.475 0.657 46 HH TYR 6 HH TYR 6 -7.514 6.828 2.808 47 H SER 7 HN SER 7 -2.920 12.724 0.182 48 HA SER 7 HA SER 7 -1.268 14.045 -1.822 49 HB2 SER 7 HB2 SER 7 -0.711 13.997 1.122 50 HB3 SER 7 HB1 SER 7 -0.512 15.308 -0.037 51 HG SER 7 HG SER 7 -2.909 14.357 1.146 52 H GLN 8 HN GLN 8 0.970 13.829 -1.840 53 HA GLN 8 HA GLN 8 1.863 11.237 -2.276 54 HB2 GLN 8 HB2 GLN 8 2.752 13.252 -3.330 55 HB3 GLN 8 HB1 GLN 8 3.416 13.770 -1.789 56 HG2 GLN 8 HG2 GLN 8 4.821 11.758 -1.776 57 HG3 GLN 8 HG1 GLN 8 4.111 11.370 -3.347 58 HE21 GLN 8 HE21 GLN 8 6.071 13.761 -1.672 59 HE22 GLN 8 HE22 GLN 8 6.922 14.311 -3.050 60 H GLU 9 HN GLU 9 2.741 13.486 0.339 61 HA GLU 9 HA GLU 9 4.255 11.670 1.856 62 HB2 GLU 9 HB2 GLU 9 2.879 14.237 2.655 63 HB3 GLU 9 HB1 GLU 9 4.051 13.379 3.639 64 HG2 GLU 9 HG2 GLU 9 5.234 15.172 2.591 65 HG3 GLU 9 HG1 GLU 9 5.629 13.625 1.818 66 H GLU 10 HN GLU 10 1.003 12.480 1.648 67 HA GLU 10 HA GLU 10 0.044 11.462 4.117 68 HB2 GLU 10 HB2 GLU 10 -1.291 12.960 2.712 69 HB3 GLU 10 HB1 GLU 10 -1.325 11.715 1.463 70 HG2 GLU 10 HG2 GLU 10 -2.828 10.414 2.676 71 HG3 GLU 10 HG1 GLU 10 -2.480 11.254 4.188 72 H LEU 11 HN LEU 11 0.363 10.038 0.918 73 HA LEU 11 HA LEU 11 -0.531 7.455 1.665 74 HB2 LEU 11 HB2 LEU 11 1.143 8.416 -0.637 75 HB3 LEU 11 HB1 LEU 11 0.566 6.767 -0.451 76 HG LEU 11 HG LEU 11 -1.350 9.083 -0.515 77 HD11 LEU 11 HD11 LEU 11 -1.657 8.676 -2.862 78 HD12 LEU 11 HD12 LEU 11 -0.472 7.381 -2.814 79 HD13 LEU 11 HD13 LEU 11 0.045 9.061 -2.567 80 HD21 LEU 11 HD21 LEU 11 -2.852 7.289 -1.291 81 HD22 LEU 11 HD22 LEU 11 -2.254 7.042 0.348 82 HD23 LEU 11 HD23 LEU 11 -1.571 6.120 -0.994 83 H LYS 12 HN LYS 12 2.525 9.061 1.809 84 HA LYS 12 HA LYS 12 4.130 6.785 2.399 85 HB2 LYS 12 HB2 LYS 12 4.421 9.734 2.691 86 HB3 LYS 12 HB1 LYS 12 5.553 8.745 3.563 87 HG2 LYS 12 HG2 LYS 12 5.105 8.701 0.579 88 HG3 LYS 12 HG1 LYS 12 6.432 9.516 1.409 89 HD2 LYS 12 HD2 LYS 12 7.100 7.273 2.349 90 HD3 LYS 12 HD1 LYS 12 5.873 6.555 1.307 91 HE2 LYS 12 HE2 LYS 12 7.022 7.497 -0.652 92 HE3 LYS 12 HE1 LYS 12 8.255 8.152 0.409 93 HZ1 LYS 12 HZ1 LYS 12 8.917 6.024 -0.639 94 HZ2 LYS 12 HZ2 LYS 12 7.688 5.225 0.197 95 HZ3 LYS 12 HZ3 LYS 12 8.924 5.953 1.039 96 H GLU 13 HN GLU 13 2.041 8.827 4.246 97 HA GLU 13 HA GLU 13 2.842 7.613 6.770 98 HB2 GLU 13 HB2 GLU 13 1.092 9.976 6.109 99 HB3 GLU 13 HB1 GLU 13 1.291 9.351 7.740 100 HG2 GLU 13 HG2 GLU 13 3.479 10.431 5.976 101 HG3 GLU 13 HG1 GLU 13 2.750 11.252 7.361 102 H MET 14 HN MET 14 1.344 6.242 4.655 103 HA MET 14 HA MET 14 -0.892 5.367 6.327 104 HB2 MET 14 HB2 MET 14 -0.840 5.571 3.310 105 HB3 MET 14 HB1 MET 14 -2.036 4.662 4.209 106 HG2 MET 14 HG2 MET 14 -2.778 6.753 5.276 107 HG3 MET 14 HG1 MET 14 -1.595 7.635 4.312 108 HE1 MET 14 HE1 MET 14 -3.778 4.531 3.138 109 HE2 MET 14 HE2 MET 14 -5.202 5.365 2.524 110 HE3 MET 14 HE3 MET 14 -4.819 5.425 4.243 111 H ALA 15 HN ALA 15 -1.222 3.153 6.314 112 HA ALA 15 HA ALA 15 1.010 1.480 5.704 113 HB1 ALA 15 HB1 ALA 15 -0.563 -0.353 6.319 114 HB2 ALA 15 HB2 ALA 15 -1.873 0.830 6.355 115 HB3 ALA 15 HB3 ALA 15 -0.559 0.940 7.527 116 H LEU 16 HN LEU 16 1.350 0.400 3.728 117 HA LEU 16 HA LEU 16 -0.418 1.294 1.720 118 HB2 LEU 16 HB2 LEU 16 0.929 0.313 -0.023 119 HB3 LEU 16 HB1 LEU 16 1.944 1.174 1.101 120 HG LEU 16 HG LEU 16 1.670 -1.807 0.927 121 HD11 LEU 16 HD11 LEU 16 2.705 -0.871 -1.047 122 HD12 LEU 16 HD12 LEU 16 3.904 -1.710 -0.064 123 HD13 LEU 16 HD13 LEU 16 3.825 0.052 -0.046 124 HD21 LEU 16 HD21 LEU 16 3.673 -1.831 2.349 125 HD22 LEU 16 HD22 LEU 16 2.288 -1.107 3.156 126 HD23 LEU 16 HD23 LEU 16 3.569 -0.074 2.510 127 H VAL 17 HN VAL 17 -0.399 -1.618 3.538 128 HA VAL 17 HA VAL 17 -2.183 -2.940 1.775 129 HB VAL 17 HB VAL 17 -0.937 -3.984 3.757 130 HG11 VAL 17 HG11 VAL 17 -2.134 -4.059 5.904 131 HG12 VAL 17 HG12 VAL 17 -3.231 -2.812 5.311 132 HG13 VAL 17 HG13 VAL 17 -1.515 -2.455 5.510 133 HG21 VAL 17 HG21 VAL 17 -3.868 -4.567 3.456 134 HG22 VAL 17 HG22 VAL 17 -2.655 -5.666 4.125 135 HG23 VAL 17 HG23 VAL 17 -2.571 -5.172 2.431 136 H GLU 18 HN GLU 18 -2.555 -0.370 4.041 137 HA GLU 18 HA GLU 18 -5.394 -0.491 4.209 138 HB2 GLU 18 HB2 GLU 18 -3.996 0.699 5.898 139 HB3 GLU 18 HB1 GLU 18 -3.512 1.857 4.669 140 HG2 GLU 18 HG2 GLU 18 -5.189 2.808 6.113 141 HG3 GLU 18 HG1 GLU 18 -5.819 2.599 4.480 142 H ILE 19 HN ILE 19 -3.028 1.211 2.274 143 HA ILE 19 HA ILE 19 -4.685 2.618 0.512 144 HB ILE 19 HB ILE 19 -2.000 1.292 -0.018 145 HG12 ILE 19 HG12 ILE 19 -2.660 4.170 0.668 146 HG13 ILE 19 HG11 ILE 19 -1.980 2.990 1.777 147 HG21 ILE 19 HG21 ILE 19 -1.745 2.814 -1.940 148 HG22 ILE 19 HG22 ILE 19 -3.400 3.374 -1.715 149 HG23 ILE 19 HG23 ILE 19 -3.095 1.702 -2.151 150 HD11 ILE 19 HD11 ILE 19 -0.655 4.051 -0.716 151 HD12 ILE 19 HD12 ILE 19 0.044 2.871 0.389 152 HD13 ILE 19 HD13 ILE 19 -0.278 4.513 0.942 153 H ALA 20 HN ALA 20 -3.442 -0.687 0.357 154 HA ALA 20 HA ALA 20 -4.668 -1.437 -2.031 155 HB1 ALA 20 HB1 ALA 20 -3.984 -3.219 0.305 156 HB2 ALA 20 HB2 ALA 20 -2.866 -2.717 -0.964 157 HB3 ALA 20 HB3 ALA 20 -4.250 -3.735 -1.362 158 H HIS 21 HN HIS 21 -5.918 -1.544 1.293 159 HA HIS 21 HA HIS 21 -8.324 -2.974 0.803 160 HB2 HIS 21 HB2 HIS 21 -8.053 -0.620 2.688 161 HB3 HIS 21 HB1 HIS 21 -9.351 -1.812 2.700 162 HD1 HIS 21 HD1 HIS 21 -7.084 -0.883 4.852 163 HD2 HIS 21 HD2 HIS 21 -7.519 -4.524 2.931 164 HE1 HIS 21 HE1 HIS 21 -5.869 -2.550 6.276 165 HE2 HIS 21 HE2 HIS 21 -5.943 -4.662 5.034 166 H GLU 22 HN GLU 22 -7.644 0.459 0.760 167 HA GLU 22 HA GLU 22 -10.097 1.485 -0.038 168 HB2 GLU 22 HB2 GLU 22 -7.308 2.405 -0.632 169 HB3 GLU 22 HB1 GLU 22 -8.763 3.381 -0.807 170 HG2 GLU 22 HG2 GLU 22 -7.854 2.204 1.790 171 HG3 GLU 22 HG1 GLU 22 -7.431 3.826 1.233 172 H LEU 23 HN LEU 23 -7.275 0.495 -1.920 173 HA LEU 23 HA LEU 23 -8.056 1.144 -4.509 174 HB2 LEU 23 HB2 LEU 23 -5.799 0.467 -3.832 175 HB3 LEU 23 HB1 LEU 23 -6.369 -1.142 -3.483 176 HG LEU 23 HG LEU 23 -6.622 -1.606 -5.907 177 HD11 LEU 23 HD11 LEU 23 -7.306 0.672 -6.586 178 HD12 LEU 23 HD12 LEU 23 -5.962 0.051 -7.542 179 HD13 LEU 23 HD13 LEU 23 -5.665 1.235 -6.270 180 HD21 LEU 23 HD21 LEU 23 -4.017 -0.280 -5.214 181 HD22 LEU 23 HD22 LEU 23 -4.289 -1.479 -6.486 182 HD23 LEU 23 HD23 LEU 23 -4.479 -1.924 -4.786 183 H PHE 24 HN PHE 24 -8.549 -1.806 -2.673 184 HA PHE 24 HA PHE 24 -10.009 -2.993 -4.787 185 HB2 PHE 24 HB2 PHE 24 -9.386 -3.897 -2.010 186 HB3 PHE 24 HB1 PHE 24 -10.464 -4.818 -3.055 187 HD1 PHE 24 HD1 PHE 24 -9.625 -5.543 -5.296 188 HD2 PHE 24 HD2 PHE 24 -7.099 -4.047 -2.268 189 HE1 PHE 24 HE1 PHE 24 -7.726 -6.571 -6.398 190 HE2 PHE 24 HE2 PHE 24 -5.162 -5.072 -3.355 191 HZ PHE 24 HZ PHE 24 -5.474 -6.348 -5.447 192 H GLU 25 HN GLU 25 -10.979 -1.276 -1.884 193 HA GLU 25 HA GLU 25 -13.704 -1.901 -2.391 194 HB2 GLU 25 HB2 GLU 25 -12.368 -0.069 -0.468 195 HB3 GLU 25 HB1 GLU 25 -14.078 0.173 -0.803 196 HG2 GLU 25 HG2 GLU 25 -12.876 -2.438 0.081 197 HG3 GLU 25 HG1 GLU 25 -13.652 -1.276 1.156 198 H GLU 26 HN GLU 26 -11.632 0.392 -3.715 199 HA GLU 26 HA GLU 26 -13.746 2.055 -4.724 200 HB2 GLU 26 HB2 GLU 26 -11.462 2.897 -4.144 201 HB3 GLU 26 HB1 GLU 26 -10.800 1.951 -5.453 202 HG2 GLU 26 HG2 GLU 26 -12.845 4.085 -5.967 203 HG3 GLU 26 HG1 GLU 26 -11.151 4.482 -5.741 204 H HIS 27 HN HIS 27 -11.596 -0.436 -6.016 205 HA HIS 27 HA HIS 27 -12.914 -0.346 -8.594 206 HB2 HIS 27 HB2 HIS 27 -10.695 -2.105 -7.542 207 HB3 HIS 27 HB1 HIS 27 -11.446 -2.393 -9.105 208 HD1 HIS 27 HD1 HIS 27 -10.347 -1.250 -11.010 209 HD2 HIS 27 HD2 HIS 27 -9.578 0.659 -7.412 210 HE1 HIS 27 HE1 HIS 27 -8.855 0.671 -11.578 211 HE2 HIS 27 HE2 HIS 27 -8.902 2.012 -9.470 212 H LYS 28 HN LYS 28 -12.838 -2.582 -5.866 213 HA LYS 28 HA LYS 28 -13.949 -4.386 -5.287 214 HB2 LYS 28 HB2 LYS 28 -16.178 -3.110 -6.894 215 HB3 LYS 28 HB1 LYS 28 -16.402 -4.448 -5.776 216 HG2 LYS 28 HG2 LYS 28 -15.683 -3.058 -3.918 217 HG3 LYS 28 HG1 LYS 28 -15.358 -1.721 -5.019 218 HD2 LYS 28 HD2 LYS 28 -17.736 -1.700 -5.644 219 HD3 LYS 28 HD1 LYS 28 -18.045 -2.981 -4.472 220 HE2 LYS 28 HE2 LYS 28 -16.934 -0.250 -3.834 221 HE3 LYS 28 HE1 LYS 28 -18.612 -0.733 -3.622 222 HZ1 LYS 28 HZ1 LYS 28 -16.328 -2.057 -2.195 223 HZ2 LYS 28 HZ2 LYS 28 -17.969 -2.284 -1.940 224 HZ3 LYS 28 HZ3 LYS 28 -17.269 -0.812 -1.587 225 H LYS 29 HN LYS 29 -12.220 -5.049 -6.948 226 HA LYS 29 HA LYS 29 -13.372 -6.953 -8.820 227 HB2 LYS 29 HB2 LYS 29 -11.053 -5.118 -9.514 228 HB3 LYS 29 HB1 LYS 29 -11.818 -6.296 -10.556 229 HG2 LYS 29 HG2 LYS 29 -13.130 -3.783 -9.550 230 HG3 LYS 29 HG1 LYS 29 -12.347 -3.947 -11.118 231 HD2 LYS 29 HD2 LYS 29 -13.962 -5.638 -11.764 232 HD3 LYS 29 HD1 LYS 29 -14.688 -5.576 -10.156 233 HE2 LYS 29 HE2 LYS 29 -15.979 -4.266 -11.773 234 HE3 LYS 29 HE1 LYS 29 -15.316 -3.268 -10.487 235 HZ1 LYS 29 HZ1 LYS 29 -13.580 -2.524 -12.007 236 HZ2 LYS 29 HZ2 LYS 29 -15.097 -2.228 -12.628 237 HZ3 LYS 29 HZ3 LYS 29 -14.197 -3.510 -13.238 238 HA PRO 30 HA PRO 30 -9.851 -8.937 -6.779 239 HB2 PRO 30 HB2 PRO 30 -10.034 -11.100 -8.775 240 HB3 PRO 30 HB1 PRO 30 -10.331 -11.147 -7.047 241 HG2 PRO 30 HG2 PRO 30 -12.338 -11.374 -8.858 242 HG3 PRO 30 HG1 PRO 30 -12.553 -10.681 -7.244 243 HD2 PRO 30 HD2 PRO 30 -12.235 -9.293 -9.871 244 HD3 PRO 30 HD1 PRO 30 -13.322 -8.925 -8.512 245 H VAL 31 HN VAL 31 -7.963 -7.991 -7.213 246 HA VAL 31 HA VAL 31 -6.998 -7.857 -9.989 247 HB VAL 31 HB VAL 31 -6.359 -5.918 -7.725 248 HG11 VAL 31 HG11 VAL 31 -5.687 -5.740 -10.643 249 HG12 VAL 31 HG12 VAL 31 -4.564 -6.059 -9.320 250 HG13 VAL 31 HG13 VAL 31 -5.376 -4.496 -9.430 251 HG21 VAL 31 HG21 VAL 31 -7.708 -4.276 -8.892 252 HG22 VAL 31 HG22 VAL 31 -8.688 -5.661 -8.405 253 HG23 VAL 31 HG23 VAL 31 -8.182 -5.481 -10.091 254 HA PRO 32 HA PRO 32 -3.669 -10.444 -8.444 255 HB2 PRO 32 HB2 PRO 32 -2.149 -9.241 -10.686 256 HB3 PRO 32 HB1 PRO 32 -2.455 -10.943 -10.342 257 HG2 PRO 32 HG2 PRO 32 -3.722 -9.741 -12.329 258 HG3 PRO 32 HG1 PRO 32 -4.582 -10.881 -11.275 259 HD2 PRO 32 HD2 PRO 32 -4.617 -7.894 -11.271 260 HD3 PRO 32 HD1 PRO 32 -5.947 -9.057 -11.099 261 H PHE 33 HN PHE 33 -1.634 -10.243 -7.472 262 HA PHE 33 HA PHE 33 -1.219 -8.007 -5.906 263 HB2 PHE 33 HB2 PHE 33 -0.399 -10.244 -5.335 264 HB3 PHE 33 HB1 PHE 33 0.769 -10.155 -6.659 265 HD1 PHE 33 HD2 PHE 33 -0.148 -8.725 -3.372 266 HD2 PHE 33 HD1 PHE 33 2.863 -9.106 -6.354 267 HE1 PHE 33 HE2 PHE 33 1.495 -7.751 -1.832 268 HE2 PHE 33 HE1 PHE 33 4.511 -8.135 -4.816 269 HZ PHE 33 HZ PHE 33 3.831 -7.454 -2.550 270 H GLN 34 HN GLN 34 0.318 -8.869 -8.927 271 HA GLN 34 HA GLN 34 2.221 -6.772 -8.813 272 HB2 GLN 34 HB2 GLN 34 1.302 -8.499 -11.093 273 HB3 GLN 34 HB1 GLN 34 2.600 -7.318 -11.213 274 HG2 GLN 34 HG2 GLN 34 2.674 -9.443 -9.118 275 HG3 GLN 34 HG1 GLN 34 3.204 -9.775 -10.762 276 HE21 GLN 34 HE21 GLN 34 3.749 -6.533 -9.519 277 HE22 GLN 34 HE22 GLN 34 5.424 -6.766 -9.262 278 H GLU 35 HN GLU 35 -1.036 -6.967 -10.031 279 HA GLU 35 HA GLU 35 -0.702 -4.673 -11.698 280 HB2 GLU 35 HB2 GLU 35 -2.970 -6.550 -11.106 281 HB3 GLU 35 HB1 GLU 35 -3.254 -5.049 -11.970 282 HG2 GLU 35 HG2 GLU 35 -2.969 -7.071 -13.427 283 HG3 GLU 35 HG1 GLU 35 -1.898 -5.736 -13.805 284 H LEU 36 HN LEU 36 -1.965 -5.519 -8.584 285 HA LEU 36 HA LEU 36 -3.130 -3.008 -8.132 286 HB2 LEU 36 HB2 LEU 36 -3.409 -3.694 -5.801 287 HB3 LEU 36 HB1 LEU 36 -3.818 -4.990 -6.868 288 HG LEU 36 HG LEU 36 -1.455 -5.906 -6.391 289 HD11 LEU 36 HD11 LEU 36 -1.747 -4.118 -3.999 290 HD12 LEU 36 HD12 LEU 36 -0.531 -3.991 -5.275 291 HD13 LEU 36 HD13 LEU 36 -0.562 -5.408 -4.220 292 HD21 LEU 36 HD21 LEU 36 -2.250 -7.065 -4.370 293 HD22 LEU 36 HD22 LEU 36 -3.442 -7.040 -5.665 294 HD23 LEU 36 HD23 LEU 36 -3.605 -5.942 -4.290 295 H LEU 37 HN LEU 37 0.164 -4.196 -7.787 296 HA LEU 37 HA LEU 37 1.186 -2.049 -6.269 297 HB2 LEU 37 HB2 LEU 37 2.486 -3.886 -8.253 298 HB3 LEU 37 HB1 LEU 37 3.369 -2.755 -7.246 299 HG LEU 37 HG LEU 37 1.696 -5.037 -6.196 300 HD11 LEU 37 HD11 LEU 37 3.606 -5.846 -7.475 301 HD12 LEU 37 HD12 LEU 37 3.830 -6.120 -5.748 302 HD13 LEU 37 HD13 LEU 37 4.674 -4.794 -6.548 303 HD21 LEU 37 HD21 LEU 37 3.682 -3.199 -4.859 304 HD22 LEU 37 HD22 LEU 37 2.890 -4.581 -4.107 305 HD23 LEU 37 HD23 LEU 37 1.933 -3.191 -4.614 306 H ASN 38 HN ASN 38 0.872 -2.644 -9.722 307 HA ASN 38 HA ASN 38 1.979 -0.375 -10.876 308 HB2 ASN 38 HB2 ASN 38 -0.627 -1.720 -11.557 309 HB3 ASN 38 HB1 ASN 38 0.160 -0.552 -12.624 310 HD21 ASN 38 HD21 ASN 38 2.803 -1.961 -11.996 311 HD22 ASN 38 HD22 ASN 38 2.690 -3.421 -12.904 312 H GLU 39 HN GLU 39 -1.285 -0.824 -9.617 313 HA GLU 39 HA GLU 39 -2.330 1.738 -9.996 314 HB2 GLU 39 HB2 GLU 39 -2.916 -0.234 -7.806 315 HB3 GLU 39 HB1 GLU 39 -3.938 1.114 -8.278 316 HG2 GLU 39 HG2 GLU 39 -3.188 -1.185 -10.039 317 HG3 GLU 39 HG1 GLU 39 -4.699 -1.055 -9.141 318 H ILE 40 HN ILE 40 -0.938 0.262 -7.108 319 HA ILE 40 HA ILE 40 -1.170 2.428 -5.388 320 HB ILE 40 HB ILE 40 0.899 0.208 -5.330 321 HG12 ILE 40 HG12 ILE 40 -1.689 0.517 -3.784 322 HG13 ILE 40 HG11 ILE 40 -1.474 -0.520 -5.187 323 HG21 ILE 40 HG21 ILE 40 0.138 2.159 -3.147 324 HG22 ILE 40 HG22 ILE 40 1.686 2.090 -3.992 325 HG23 ILE 40 HG23 ILE 40 1.194 0.759 -2.942 326 HD11 ILE 40 HD11 ILE 40 0.160 -1.845 -3.973 327 HD12 ILE 40 HD12 ILE 40 -1.378 -1.786 -3.108 328 HD13 ILE 40 HD13 ILE 40 -0.019 -0.798 -2.566 329 H ALA 41 HN ALA 41 1.680 1.447 -7.288 330 HA ALA 41 HA ALA 41 3.277 3.563 -6.367 331 HB1 ALA 41 HB1 ALA 41 3.653 2.043 -8.939 332 HB2 ALA 41 HB2 ALA 41 4.189 1.533 -7.327 333 HB3 ALA 41 HB3 ALA 41 4.862 2.991 -8.048 334 H SER 42 HN SER 42 1.014 3.442 -8.995 335 HA SER 42 HA SER 42 1.900 5.971 -10.006 336 HB2 SER 42 HB2 SER 42 -0.712 4.518 -10.492 337 HB3 SER 42 HB1 SER 42 -0.107 5.879 -11.434 338 HG SER 42 HG SER 42 0.652 3.217 -11.419 339 H LEU 43 HN LEU 43 -0.743 5.033 -7.901 340 HA LEU 43 HA LEU 43 -1.777 7.682 -7.710 341 HB2 LEU 43 HB2 LEU 43 -2.091 5.380 -5.779 342 HB3 LEU 43 HB1 LEU 43 -3.105 6.807 -5.857 343 HG LEU 43 HG LEU 43 -2.896 4.648 -7.956 344 HD11 LEU 43 HD11 LEU 43 -4.110 3.923 -6.008 345 HD12 LEU 43 HD12 LEU 43 -5.210 4.160 -7.367 346 HD13 LEU 43 HD13 LEU 43 -5.123 5.363 -6.079 347 HD21 LEU 43 HD21 LEU 43 -3.275 6.787 -9.024 348 HD22 LEU 43 HD22 LEU 43 -4.590 7.146 -7.912 349 HD23 LEU 43 HD23 LEU 43 -4.755 5.829 -9.074 350 H LEU 44 HN LEU 44 0.562 5.818 -6.013 351 HA LEU 44 HA LEU 44 1.065 7.759 -3.928 352 HB2 LEU 44 HB2 LEU 44 1.306 5.067 -4.155 353 HB3 LEU 44 HB1 LEU 44 2.914 5.546 -4.606 354 HG LEU 44 HG LEU 44 1.526 5.971 -1.994 355 HD11 LEU 44 HD11 LEU 44 3.391 4.558 -1.155 356 HD12 LEU 44 HD12 LEU 44 3.878 4.322 -2.847 357 HD13 LEU 44 HD13 LEU 44 2.316 3.756 -2.301 358 HD21 LEU 44 HD21 LEU 44 4.265 6.904 -2.806 359 HD22 LEU 44 HD22 LEU 44 3.606 6.989 -1.170 360 HD23 LEU 44 HD23 LEU 44 2.890 7.952 -2.468 361 H GLY 45 HN GLY 45 2.063 9.527 -4.632 362 HA2 GLY 45 HA2 GLY 45 3.717 9.768 -6.923 363 HA3 GLY 45 HA1 GLY 45 3.665 10.929 -5.609 364 H VAL 46 HN VAL 46 5.027 7.774 -6.436 365 HA VAL 46 HA VAL 46 7.638 8.548 -5.304 366 HB VAL 46 HB VAL 46 7.836 6.226 -4.354 367 HG11 VAL 46 HG11 VAL 46 7.541 8.038 -2.852 368 HG12 VAL 46 HG12 VAL 46 6.472 6.715 -2.343 369 HG13 VAL 46 HG13 VAL 46 5.818 8.115 -3.201 370 HG21 VAL 46 HG21 VAL 46 6.042 5.163 -5.575 371 HG22 VAL 46 HG22 VAL 46 4.870 6.237 -4.859 372 HG23 VAL 46 HG23 VAL 46 5.712 5.053 -3.842 373 H LYS 47 HN LYS 47 9.124 6.481 -5.680 374 HA LYS 47 HA LYS 47 8.942 5.846 -8.518 375 HB2 LYS 47 HB2 LYS 47 11.128 5.252 -6.505 376 HB3 LYS 47 HB1 LYS 47 11.233 5.074 -8.251 377 HG2 LYS 47 HG2 LYS 47 11.087 7.468 -8.544 378 HG3 LYS 47 HG1 LYS 47 10.839 7.687 -6.814 379 HD2 LYS 47 HD2 LYS 47 13.131 8.191 -7.326 380 HD3 LYS 47 HD1 LYS 47 13.054 6.673 -6.426 381 HE2 LYS 47 HE2 LYS 47 14.658 6.516 -8.247 382 HE3 LYS 47 HE1 LYS 47 13.308 5.419 -8.508 383 HZ1 LYS 47 HZ1 LYS 47 13.920 6.549 -10.508 384 HZ2 LYS 47 HZ2 LYS 47 13.732 8.048 -9.795 385 HZ3 LYS 47 HZ3 LYS 47 12.372 7.071 -10.067 386 H LYS 48 HN LYS 48 9.189 3.678 -9.169 387 HA LYS 48 HA LYS 48 7.527 1.903 -7.677 388 HB2 LYS 48 HB2 LYS 48 7.357 1.808 -10.029 389 HB3 LYS 48 HB1 LYS 48 9.090 1.618 -10.228 390 HG2 LYS 48 HG2 LYS 48 8.144 -0.478 -10.677 391 HG3 LYS 48 HG1 LYS 48 8.886 -0.552 -9.079 392 HD2 LYS 48 HD2 LYS 48 6.624 -0.341 -8.034 393 HD3 LYS 48 HD1 LYS 48 5.870 -0.320 -9.609 394 HE2 LYS 48 HE2 LYS 48 7.158 -2.491 -10.030 395 HE3 LYS 48 HE1 LYS 48 7.387 -2.473 -8.276 396 HZ1 LYS 48 HZ1 LYS 48 4.787 -2.369 -9.643 397 HZ2 LYS 48 HZ2 LYS 48 5.036 -2.534 -7.962 398 HZ3 LYS 48 HZ3 LYS 48 5.488 -3.761 -9.045 399 H GLU 49 HN GLU 49 10.948 2.087 -8.358 400 HA GLU 49 HA GLU 49 11.746 -0.381 -7.331 401 HB2 GLU 49 HB2 GLU 49 14.016 0.731 -7.107 402 HB3 GLU 49 HB1 GLU 49 13.273 0.742 -8.701 403 HG2 GLU 49 HG2 GLU 49 12.590 3.022 -8.415 404 HG3 GLU 49 HG1 GLU 49 13.173 3.027 -6.759 405 H GLU 50 HN GLU 50 11.395 2.700 -5.579 406 HA GLU 50 HA GLU 50 12.495 1.742 -3.141 407 HB2 GLU 50 HB2 GLU 50 11.536 3.728 -2.094 408 HB3 GLU 50 HB1 GLU 50 12.234 4.172 -3.641 409 HG2 GLU 50 HG2 GLU 50 9.992 4.147 -4.640 410 HG3 GLU 50 HG1 GLU 50 9.314 3.744 -3.068 411 H LEU 51 HN LEU 51 9.438 1.521 -4.690 412 HA LEU 51 HA LEU 51 8.136 0.489 -2.367 413 HB2 LEU 51 HB2 LEU 51 7.199 0.638 -5.215 414 HB3 LEU 51 HB1 LEU 51 6.264 -0.001 -3.881 415 HG LEU 51 HG LEU 51 7.156 2.851 -4.217 416 HD11 LEU 51 HD11 LEU 51 4.462 1.519 -4.350 417 HD12 LEU 51 HD12 LEU 51 5.407 2.089 -5.717 418 HD13 LEU 51 HD13 LEU 51 4.777 3.248 -4.541 419 HD21 LEU 51 HD21 LEU 51 7.106 2.208 -1.847 420 HD22 LEU 51 HD22 LEU 51 5.486 1.550 -2.060 421 HD23 LEU 51 HD23 LEU 51 5.763 3.281 -2.238 422 H GLY 52 HN GLY 52 10.287 -0.713 -4.589 423 HA2 GLY 52 HA2 GLY 52 9.250 -3.391 -4.780 424 HA3 GLY 52 HA1 GLY 52 10.895 -2.870 -5.182 425 H ASP 53 HN ASP 53 11.672 -1.664 -2.988 426 HA ASP 53 HA ASP 53 12.396 -3.630 -1.104 427 HB2 ASP 53 HB2 ASP 53 12.079 -0.636 -0.653 428 HB3 ASP 53 HB1 ASP 53 12.930 -1.754 0.400 429 H ARG 54 HN ARG 54 9.859 -1.238 -1.160 430 HA ARG 54 HA ARG 54 8.667 -1.991 1.261 431 HB2 ARG 54 HB2 ARG 54 8.378 0.241 0.054 432 HB3 ARG 54 HB1 ARG 54 7.251 -0.607 -1.003 433 HG2 ARG 54 HG2 ARG 54 5.983 0.535 0.660 434 HG3 ARG 54 HG1 ARG 54 5.901 -1.197 0.994 435 HD2 ARG 54 HD2 ARG 54 7.760 -0.880 2.643 436 HD3 ARG 54 HD1 ARG 54 7.618 0.851 2.365 437 HE ARG 54 HE ARG 54 5.417 -0.793 3.401 438 HH11 ARG 54 HH11 ARG 54 7.375 2.189 3.548 439 HH12 ARG 54 HH12 ARG 54 6.626 2.776 4.945 440 HH21 ARG 54 HH21 ARG 54 4.389 0.040 5.363 441 HH22 ARG 54 HH22 ARG 54 4.927 1.517 6.026 442 H ILE 55 HN ILE 55 8.519 -3.421 -1.903 443 HA ILE 55 HA ILE 55 6.011 -4.732 -1.661 444 HB ILE 55 HB ILE 55 8.461 -5.436 -3.332 445 HG12 ILE 55 HG12 ILE 55 5.712 -4.514 -4.178 446 HG13 ILE 55 HG11 ILE 55 7.120 -3.475 -4.031 447 HG21 ILE 55 HG21 ILE 55 7.378 -7.542 -2.808 448 HG22 ILE 55 HG22 ILE 55 7.132 -7.135 -4.508 449 HG23 ILE 55 HG23 ILE 55 5.826 -6.898 -3.346 450 HD11 ILE 55 HD11 ILE 55 6.770 -5.765 -5.949 451 HD12 ILE 55 HD12 ILE 55 8.236 -4.812 -5.790 452 HD13 ILE 55 HD13 ILE 55 6.747 -4.046 -6.343 453 H ALA 56 HN ALA 56 9.296 -5.589 -0.815 454 HA ALA 56 HA ALA 56 8.746 -8.140 0.254 455 HB1 ALA 56 HB1 ALA 56 10.790 -7.856 1.573 456 HB2 ALA 56 HB2 ALA 56 10.776 -6.127 1.216 457 HB3 ALA 56 HB3 ALA 56 11.016 -7.293 -0.085 458 H GLN 57 HN GLN 57 8.754 -4.957 1.791 459 HA GLN 57 HA GLN 57 7.892 -5.796 4.363 460 HB2 GLN 57 HB2 GLN 57 8.857 -3.520 3.773 461 HB3 GLN 57 HB1 GLN 57 7.318 -3.127 3.042 462 HG2 GLN 57 HG2 GLN 57 7.551 -3.868 5.945 463 HG3 GLN 57 HG1 GLN 57 7.806 -2.221 5.385 464 HE21 GLN 57 HE21 GLN 57 5.814 -3.254 7.215 465 HE22 GLN 57 HE22 GLN 57 4.276 -2.909 6.541 466 H PHE 58 HN PHE 58 6.169 -4.963 1.469 467 HA PHE 58 HA PHE 58 3.569 -4.866 2.514 468 HB2 PHE 58 HB2 PHE 58 4.404 -3.787 0.428 469 HB3 PHE 58 HB1 PHE 58 4.444 -5.356 -0.332 470 HD1 PHE 58 HD1 PHE 58 1.854 -3.786 1.835 471 HD2 PHE 58 HD2 PHE 58 2.895 -5.274 -1.997 472 HE1 PHE 58 HE1 PHE 58 -0.421 -3.344 1.056 473 HE2 PHE 58 HE2 PHE 58 0.622 -4.849 -2.786 474 HZ PHE 58 HZ PHE 58 -1.054 -3.878 -1.267 475 H TYR 59 HN TYR 59 5.444 -7.499 1.013 476 HA TYR 59 HA TYR 59 3.400 -9.414 1.000 477 HB2 TYR 59 HB2 TYR 59 6.377 -9.686 1.329 478 HB3 TYR 59 HB1 TYR 59 5.346 -11.088 1.566 479 HD1 TYR 59 HD2 TYR 59 3.527 -11.332 -0.426 480 HD2 TYR 59 HD1 TYR 59 7.345 -9.488 -0.769 481 HE1 TYR 59 HE2 TYR 59 3.512 -11.777 -2.833 482 HE2 TYR 59 HE1 TYR 59 7.339 -9.933 -3.189 483 HH TYR 59 HH TYR 59 6.282 -11.466 -4.776 484 H THR 60 HN THR 60 5.639 -8.512 3.554 485 HA THR 60 HA THR 60 4.599 -10.124 5.582 486 HB THR 60 HB THR 60 5.813 -7.356 5.722 487 HG1 THR 60 HG1 THR 60 7.739 -8.363 5.726 488 HG21 THR 60 HG21 THR 60 6.416 -7.939 8.049 489 HG22 THR 60 HG22 THR 60 5.508 -9.448 7.899 490 HG23 THR 60 HG23 THR 60 4.672 -7.895 7.813 491 H ASP 61 HN ASP 61 3.716 -6.876 4.524 492 HA ASP 61 HA ASP 61 1.891 -6.157 6.505 493 HB2 ASP 61 HB2 ASP 61 3.087 -4.750 4.671 494 HB3 ASP 61 HB1 ASP 61 1.716 -5.177 3.659 495 H LEU 62 HN LEU 62 1.322 -7.794 3.392 496 HA LEU 62 HA LEU 62 -1.525 -7.938 3.652 497 HB2 LEU 62 HB2 LEU 62 0.428 -9.395 1.927 498 HB3 LEU 62 HB1 LEU 62 -1.189 -10.026 2.078 499 HG LEU 62 HG LEU 62 -1.035 -8.798 0.066 500 HD11 LEU 62 HD11 LEU 62 -3.132 -8.590 1.177 501 HD12 LEU 62 HD12 LEU 62 -2.744 -7.091 0.335 502 HD13 LEU 62 HD13 LEU 62 -2.562 -7.193 2.084 503 HD21 LEU 62 HD21 LEU 62 -0.468 -6.442 -0.014 504 HD22 LEU 62 HD22 LEU 62 0.867 -7.436 0.570 505 HD23 LEU 62 HD23 LEU 62 -0.090 -6.485 1.705 506 H ASN 63 HN ASN 63 1.046 -10.186 4.504 507 HA ASN 63 HA ASN 63 -0.755 -12.292 5.134 508 HB2 ASN 63 HB2 ASN 63 2.163 -11.970 5.908 509 HB3 ASN 63 HB1 ASN 63 1.187 -13.394 6.241 510 HD21 ASN 63 HD21 ASN 63 -0.226 -13.491 3.702 511 HD22 ASN 63 HD22 ASN 63 0.934 -13.936 2.530 512 H ILE 64 HN ILE 64 0.390 -9.632 6.961 513 HA ILE 64 HA ILE 64 -0.830 -10.771 9.366 514 HB ILE 64 HB ILE 64 0.178 -8.905 10.610 515 HG12 ILE 64 HG12 ILE 64 1.398 -8.145 7.942 516 HG13 ILE 64 HG11 ILE 64 0.201 -7.220 8.842 517 HG21 ILE 64 HG21 ILE 64 1.396 -10.992 10.420 518 HG22 ILE 64 HG22 ILE 64 2.521 -9.633 10.413 519 HG23 ILE 64 HG23 ILE 64 2.125 -10.455 8.905 520 HD11 ILE 64 HD11 ILE 64 2.429 -6.284 9.069 521 HD12 ILE 64 HD12 ILE 64 3.007 -7.812 9.742 522 HD13 ILE 64 HD13 ILE 64 1.816 -6.855 10.621 523 H ASP 65 HN ASP 65 -2.026 -9.259 6.856 524 HA ASP 65 HA ASP 65 -3.433 -7.075 8.109 525 HB2 ASP 65 HB2 ASP 65 -2.801 -6.957 5.734 526 HB3 ASP 65 HB1 ASP 65 -3.825 -8.345 5.390 527 H GLY 66 HN GLY 66 -5.710 -6.981 8.459 528 HA2 GLY 66 HA2 GLY 66 -6.759 -9.648 9.033 529 HA3 GLY 66 HA1 GLY 66 -7.191 -8.157 9.897 530 H ARG 67 HN ARG 67 -7.168 -7.449 6.619 531 HA ARG 67 HA ARG 67 -10.072 -7.988 6.539 532 HB2 ARG 67 HB2 ARG 67 -8.657 -5.729 5.126 533 HB3 ARG 67 HB1 ARG 67 -10.390 -5.975 5.268 534 HG2 ARG 67 HG2 ARG 67 -10.248 -5.584 7.672 535 HG3 ARG 67 HG1 ARG 67 -8.508 -5.330 7.530 536 HD2 ARG 67 HD2 ARG 67 -9.267 -3.556 5.738 537 HD3 ARG 67 HD1 ARG 67 -10.772 -3.605 6.659 538 HE ARG 67 HE ARG 67 -8.805 -3.342 8.527 539 HH11 ARG 67 HH11 ARG 67 -10.115 -1.368 5.886 540 HH12 ARG 67 HH12 ARG 67 -9.250 0.021 6.327 541 HH21 ARG 67 HH21 ARG 67 -7.645 -1.357 9.132 542 HH22 ARG 67 HH22 ARG 67 -7.821 0.022 8.142 543 H PHE 68 HN PHE 68 -7.065 -8.376 5.005 544 HA PHE 68 HA PHE 68 -8.253 -9.092 2.487 545 HB2 PHE 68 HB2 PHE 68 -5.481 -8.686 3.438 546 HB3 PHE 68 HB1 PHE 68 -5.726 -9.796 2.097 547 HD1 PHE 68 HD1 PHE 68 -6.795 -8.975 0.051 548 HD2 PHE 68 HD2 PHE 68 -5.546 -6.363 3.137 549 HE1 PHE 68 HE1 PHE 68 -6.810 -7.121 -1.537 550 HE2 PHE 68 HE2 PHE 68 -5.568 -4.486 1.545 551 HZ PHE 68 HZ PHE 68 -6.210 -4.891 -0.807 552 H LEU 69 HN LEU 69 -7.731 -10.901 1.372 553 HA LEU 69 HA LEU 69 -7.061 -13.347 2.770 554 HB2 LEU 69 HB2 LEU 69 -9.502 -13.232 2.768 555 HB3 LEU 69 HB1 LEU 69 -9.492 -12.814 1.070 556 HG LEU 69 HG LEU 69 -8.409 -15.066 0.649 557 HD11 LEU 69 HD11 LEU 69 -9.303 -15.594 3.459 558 HD12 LEU 69 HD12 LEU 69 -7.643 -15.532 2.879 559 HD13 LEU 69 HD13 LEU 69 -8.730 -16.802 2.310 560 HD21 LEU 69 HD21 LEU 69 -10.545 -16.273 0.782 561 HD22 LEU 69 HD22 LEU 69 -10.696 -14.639 0.116 562 HD23 LEU 69 HD23 LEU 69 -11.181 -14.954 1.775 563 H ALA 70 HN ALA 70 -5.884 -14.635 1.322 564 HA ALA 70 HA ALA 70 -5.385 -13.487 -1.276 565 HB1 ALA 70 HB1 ALA 70 -4.279 -16.026 -0.053 566 HB2 ALA 70 HB2 ALA 70 -3.433 -14.471 -0.161 567 HB3 ALA 70 HB3 ALA 70 -3.845 -15.375 -1.624 568 H LEU 71 HN LEU 71 -7.000 -13.735 -2.621 569 HA LEU 71 HA LEU 71 -8.593 -16.032 -2.937 570 HB2 LEU 71 HB2 LEU 71 -7.624 -13.956 -4.971 571 HB3 LEU 71 HB1 LEU 71 -8.917 -15.120 -5.279 572 HG LEU 71 HG LEU 71 -9.011 -12.976 -3.152 573 HD11 LEU 71 HD11 LEU 71 -10.009 -12.914 -5.985 574 HD12 LEU 71 HD12 LEU 71 -8.684 -11.943 -5.332 575 HD13 LEU 71 HD13 LEU 71 -10.332 -11.693 -4.756 576 HD21 LEU 71 HD21 LEU 71 -11.386 -13.283 -3.337 577 HD22 LEU 71 HD22 LEU 71 -10.622 -14.830 -2.917 578 HD23 LEU 71 HD23 LEU 71 -11.160 -14.501 -4.582 579 H SER 72 HN SER 72 -8.115 -17.881 -4.326 580 HA SER 72 HA SER 72 -5.725 -18.969 -3.650 581 HB2 SER 72 HB2 SER 72 -7.555 -19.884 -5.838 582 HB3 SER 72 HB1 SER 72 -6.361 -20.870 -4.980 583 HG SER 72 HG SER 72 -8.562 -20.958 -4.134 584 H ASP 73 HN ASP 73 -5.973 -16.915 -6.347 585 HA ASP 73 HA ASP 73 -3.532 -18.059 -7.473 586 HB2 ASP 73 HB2 ASP 73 -5.448 -16.030 -8.584 587 HB3 ASP 73 HB1 ASP 73 -3.869 -16.277 -9.308 588 H GLN 74 HN GLN 74 -3.791 -16.380 -4.992 589 HA GLN 74 HA GLN 74 -2.486 -14.962 -3.807 590 HB2 GLN 74 HB2 GLN 74 -0.678 -15.092 -6.235 591 HB3 GLN 74 HB1 GLN 74 -0.291 -14.093 -4.848 592 HG2 GLN 74 HG2 GLN 74 0.933 -16.227 -4.845 593 HG3 GLN 74 HG1 GLN 74 -0.116 -16.067 -3.442 594 HE21 GLN 74 HE21 GLN 74 -1.823 -17.449 -3.201 595 HE22 GLN 74 HE22 GLN 74 -2.102 -18.810 -4.211 596 H THR 75 HN THR 75 -4.433 -14.355 -5.789 597 HA THR 75 HA THR 75 -4.071 -11.565 -6.398 598 HB THR 75 HB THR 75 -6.439 -13.458 -6.630 599 HG1 THR 75 HG1 THR 75 -4.173 -13.154 -8.064 600 HG21 THR 75 HG21 THR 75 -7.360 -11.814 -8.206 601 HG22 THR 75 HG22 THR 75 -5.972 -10.762 -7.929 602 HG23 THR 75 HG23 THR 75 -7.112 -11.075 -6.623 603 H TRP 76 HN TRP 76 -4.774 -10.005 -4.929 604 HA TRP 76 HA TRP 76 -5.718 -11.166 -2.457 605 HB2 TRP 76 HB2 TRP 76 -4.348 -8.544 -3.021 606 HB3 TRP 76 HB1 TRP 76 -5.034 -8.957 -1.454 607 HD1 TRP 76 HD1 TRP 76 -2.069 -9.743 -3.711 608 HE1 TRP 76 HE1 TRP 76 -0.363 -11.153 -2.394 609 HE3 TRP 76 HE3 TRP 76 -4.866 -10.702 0.440 610 HZ2 TRP 76 HZ2 TRP 76 -0.226 -12.501 0.138 611 HZ3 TRP 76 HZ3 TRP 76 -3.888 -12.047 2.248 612 HH2 TRP 76 HH2 TRP 76 -1.613 -12.924 2.083 613 H GLY 77 HN GLY 77 -7.519 -10.687 -1.494 614 HA2 GLY 77 HA2 GLY 77 -9.171 -8.618 -2.661 615 HA3 GLY 77 HA1 GLY 77 -9.795 -10.265 -2.623 616 H LEU 78 HN LEU 78 -11.175 -8.448 -1.403 617 HA LEU 78 HA LEU 78 -10.348 -8.342 1.375 618 HB2 LEU 78 HB2 LEU 78 -12.530 -6.875 -0.071 619 HB3 LEU 78 HB1 LEU 78 -12.217 -6.734 1.648 620 HG LEU 78 HG LEU 78 -10.302 -5.962 -0.554 621 HD11 LEU 78 HD11 LEU 78 -10.722 -3.684 0.201 622 HD12 LEU 78 HD12 LEU 78 -11.921 -4.284 1.348 623 HD13 LEU 78 HD13 LEU 78 -12.192 -4.459 -0.388 624 HD21 LEU 78 HD21 LEU 78 -9.129 -6.762 1.424 625 HD22 LEU 78 HD22 LEU 78 -10.081 -5.685 2.444 626 HD23 LEU 78 HD23 LEU 78 -8.955 -5.015 1.261 627 H ARG 79 HN ARG 79 -11.247 -9.275 2.926 628 HA ARG 79 HA ARG 79 -12.809 -11.519 2.571 629 HB2 ARG 79 HB2 ARG 79 -11.940 -9.968 4.947 630 HB3 ARG 79 HB1 ARG 79 -12.935 -11.396 5.098 631 HG2 ARG 79 HG2 ARG 79 -11.225 -12.711 3.959 632 HG3 ARG 79 HG1 ARG 79 -10.247 -11.251 3.823 633 HD2 ARG 79 HD2 ARG 79 -9.788 -12.826 5.648 634 HD3 ARG 79 HD1 ARG 79 -9.916 -11.115 6.128 635 HE ARG 79 HE ARG 79 -12.289 -12.821 6.382 636 HH11 ARG 79 HH11 ARG 79 -9.532 -11.339 8.105 637 HH12 ARG 79 HH12 ARG 79 -10.287 -11.439 9.620 638 HH21 ARG 79 HH21 ARG 79 -13.288 -12.897 8.419 639 HH22 ARG 79 HH22 ARG 79 -12.496 -12.333 9.822 640 H SER 80 HN SER 80 -13.780 -8.244 3.120 641 HA SER 80 HA SER 80 -16.274 -8.875 4.274 642 HB2 SER 80 HB2 SER 80 -16.665 -6.414 3.727 643 HB3 SER 80 HB1 SER 80 -15.332 -6.793 4.822 644 HG SER 80 HG SER 80 -15.215 -5.419 2.636 645 H TRP 81 HN TRP 81 -15.084 -9.107 1.140 646 HA TRP 81 HA TRP 81 -17.415 -8.295 -0.302 647 HB2 TRP 81 HB2 TRP 81 -15.038 -9.899 -1.130 648 HB3 TRP 81 HB1 TRP 81 -16.371 -9.513 -2.198 649 HD1 TRP 81 HD1 TRP 81 -16.432 -6.371 -0.901 650 HE1 TRP 81 HE1 TRP 81 -14.729 -4.767 -1.951 651 HE3 TRP 81 HE3 TRP 81 -13.214 -9.873 -2.860 652 HZ2 TRP 81 HZ2 TRP 81 -12.354 -4.992 -3.476 653 HZ3 TRP 81 HZ3 TRP 81 -11.280 -9.078 -4.114 654 HH2 TRP 81 HH2 TRP 81 -10.843 -6.716 -4.411 655 H TYR 82 HN TYR 82 -16.074 -11.510 0.611 656 HA TYR 82 HA TYR 82 -18.432 -12.556 -0.794 657 HB2 TYR 82 HB2 TYR 82 -15.903 -14.093 -0.348 658 HB3 TYR 82 HB1 TYR 82 -17.213 -14.466 -1.438 659 HD1 TYR 82 HD1 TYR 82 -17.383 -13.233 -3.618 660 HD2 TYR 82 HD2 TYR 82 -14.107 -12.628 -0.984 661 HE1 TYR 82 HE1 TYR 82 -16.057 -12.291 -5.463 662 HE2 TYR 82 HE2 TYR 82 -12.791 -11.728 -2.766 663 HH TYR 82 HH TYR 82 -12.709 -11.819 -5.230 Start of MODEL 13 1 H1 GLY 2 HT1 GLY 2 -11.948 7.692 -5.369 2 H2 GLY 2 HT2 GLY 2 -13.059 6.654 -4.582 3 H3 GLY 2 HT3 GLY 2 -11.560 6.083 -5.157 4 HA2 GLY 2 HA1 GLY 2 -11.752 8.128 -3.091 5 HA3 GLY 2 HA2 GLY 2 -11.646 6.405 -2.754 6 H ILE 3 HN ILE 3 -9.817 5.349 -3.081 7 HA ILE 3 HA ILE 3 -7.486 6.435 -2.367 8 HB ILE 3 HB ILE 3 -8.024 4.050 -2.324 9 HG12 ILE 3 HG12 ILE 3 -5.808 3.130 -2.772 10 HG13 ILE 3 HG11 ILE 3 -5.337 4.545 -3.685 11 HG21 ILE 3 HG21 ILE 3 -7.599 2.624 -4.246 12 HG22 ILE 3 HG22 ILE 3 -7.422 4.060 -5.257 13 HG23 ILE 3 HG23 ILE 3 -8.969 3.710 -4.480 14 HD11 ILE 3 HD11 ILE 3 -5.587 5.884 -1.647 15 HD12 ILE 3 HD12 ILE 3 -4.421 4.582 -1.460 16 HD13 ILE 3 HD13 ILE 3 -6.029 4.431 -0.756 17 H LYS 4 HN LYS 4 -8.459 6.154 -5.813 18 HA LYS 4 HA LYS 4 -5.790 6.833 -6.558 19 HB2 LYS 4 HB2 LYS 4 -6.541 6.940 -8.900 20 HB3 LYS 4 HB1 LYS 4 -6.870 5.420 -8.099 21 HG2 LYS 4 HG2 LYS 4 -9.169 5.831 -8.039 22 HG3 LYS 4 HG1 LYS 4 -8.952 7.553 -8.385 23 HD2 LYS 4 HD2 LYS 4 -8.170 7.072 -10.597 24 HD3 LYS 4 HD1 LYS 4 -8.175 5.341 -10.275 25 HE2 LYS 4 HE2 LYS 4 -10.644 7.030 -10.114 26 HE3 LYS 4 HE1 LYS 4 -10.100 6.304 -11.623 27 HZ1 LYS 4 HZ1 LYS 4 -10.322 4.155 -10.692 28 HZ2 LYS 4 HZ2 LYS 4 -11.751 5.006 -10.452 29 HZ3 LYS 4 HZ3 LYS 4 -10.688 4.741 -9.143 30 H GLN 5 HN GLN 5 -8.197 8.842 -5.465 31 HA GLN 5 HA GLN 5 -7.017 11.006 -7.030 32 HB2 GLN 5 HB2 GLN 5 -8.899 12.454 -6.378 33 HB3 GLN 5 HB1 GLN 5 -9.451 11.002 -7.182 34 HG2 GLN 5 HG2 GLN 5 -10.086 10.071 -4.989 35 HG3 GLN 5 HG1 GLN 5 -9.568 11.576 -4.228 36 HE21 GLN 5 HE21 GLN 5 -11.966 10.078 -6.247 37 HE22 GLN 5 HE22 GLN 5 -13.097 11.366 -6.200 38 H TYR 6 HN TYR 6 -6.022 9.535 -4.584 39 HA TYR 6 HA TYR 6 -5.590 11.757 -2.731 40 HB2 TYR 6 HB2 TYR 6 -4.589 8.897 -2.640 41 HB3 TYR 6 HB1 TYR 6 -4.377 10.091 -1.380 42 HD1 TYR 6 HD2 TYR 6 -7.613 10.704 -2.397 43 HD2 TYR 6 HD1 TYR 6 -5.322 7.725 -0.459 44 HE1 TYR 6 HE2 TYR 6 -9.662 9.828 -1.326 45 HE2 TYR 6 HE1 TYR 6 -7.362 6.842 0.617 46 HH TYR 6 HH TYR 6 -9.557 7.673 1.236 47 H SER 7 HN SER 7 -3.367 12.294 -2.141 48 HA SER 7 HA SER 7 -1.501 11.952 -4.376 49 HB2 SER 7 HB2 SER 7 -2.096 14.297 -3.941 50 HB3 SER 7 HB1 SER 7 -1.647 14.116 -2.248 51 HG SER 7 HG SER 7 -0.086 15.034 -3.946 52 H GLN 8 HN GLN 8 0.854 12.162 -3.510 53 HA GLN 8 HA GLN 8 1.424 9.876 -1.976 54 HB2 GLN 8 HB2 GLN 8 3.762 10.693 -1.905 55 HB3 GLN 8 HB1 GLN 8 3.082 10.672 -3.522 56 HG2 GLN 8 HG2 GLN 8 2.768 13.000 -3.501 57 HG3 GLN 8 HG1 GLN 8 3.225 13.127 -1.801 58 HE21 GLN 8 HE21 GLN 8 4.414 14.446 -4.082 59 HE22 GLN 8 HE22 GLN 8 6.075 13.970 -4.093 60 H GLU 9 HN GLU 9 1.095 13.230 -1.093 61 HA GLU 9 HA GLU 9 2.241 13.373 1.441 62 HB2 GLU 9 HB2 GLU 9 -0.315 14.648 0.491 63 HB3 GLU 9 HB1 GLU 9 0.647 15.175 1.863 64 HG2 GLU 9 HG2 GLU 9 1.558 15.139 -0.997 65 HG3 GLU 9 HG1 GLU 9 0.978 16.550 -0.117 66 H GLU 10 HN GLU 10 -0.811 12.277 0.418 67 HA GLU 10 HA GLU 10 -1.943 11.702 2.976 68 HB2 GLU 10 HB2 GLU 10 -3.221 12.411 0.992 69 HB3 GLU 10 HB1 GLU 10 -2.622 10.979 0.164 70 HG2 GLU 10 HG2 GLU 10 -4.183 9.663 1.121 71 HG3 GLU 10 HG1 GLU 10 -4.075 10.500 2.676 72 H LEU 11 HN LEU 11 -0.861 9.838 0.214 73 HA LEU 11 HA LEU 11 -1.405 7.302 1.236 74 HB2 LEU 11 HB2 LEU 11 0.466 8.147 -0.942 75 HB3 LEU 11 HB1 LEU 11 -0.088 6.503 -0.665 76 HG LEU 11 HG LEU 11 -1.956 8.796 -1.240 77 HD11 LEU 11 HD11 LEU 11 -0.821 6.761 -3.134 78 HD12 LEU 11 HD12 LEU 11 -0.492 8.498 -3.119 79 HD13 LEU 11 HD13 LEU 11 -2.111 7.913 -3.493 80 HD21 LEU 11 HD21 LEU 11 -2.305 5.812 -1.287 81 HD22 LEU 11 HD22 LEU 11 -3.514 6.996 -1.773 82 HD23 LEU 11 HD23 LEU 11 -2.980 6.925 -0.095 83 H LYS 12 HN LYS 12 1.492 9.263 1.588 84 HA LYS 12 HA LYS 12 2.986 6.992 2.482 85 HB2 LYS 12 HB2 LYS 12 4.840 8.545 2.961 86 HB3 LYS 12 HB1 LYS 12 4.231 8.725 1.329 87 HG2 LYS 12 HG2 LYS 12 2.986 10.732 2.067 88 HG3 LYS 12 HG1 LYS 12 3.715 10.555 3.664 89 HD2 LYS 12 HD2 LYS 12 5.942 10.839 2.708 90 HD3 LYS 12 HD1 LYS 12 5.253 10.932 1.084 91 HE2 LYS 12 HE2 LYS 12 4.071 12.940 1.655 92 HE3 LYS 12 HE1 LYS 12 4.613 12.838 3.329 93 HZ1 LYS 12 HZ1 LYS 12 6.206 13.458 0.905 94 HZ2 LYS 12 HZ2 LYS 12 6.921 13.066 2.365 95 HZ3 LYS 12 HZ3 LYS 12 5.949 14.433 2.261 96 H GLU 13 HN GLU 13 0.603 8.716 3.992 97 HA GLU 13 HA GLU 13 1.778 8.446 6.659 98 HB2 GLU 13 HB2 GLU 13 -1.008 9.290 5.858 99 HB3 GLU 13 HB1 GLU 13 -0.375 9.289 7.487 100 HG2 GLU 13 HG2 GLU 13 1.327 10.981 6.653 101 HG3 GLU 13 HG1 GLU 13 0.323 11.091 5.208 102 H MET 14 HN MET 14 0.240 6.527 4.444 103 HA MET 14 HA MET 14 -1.496 5.142 6.323 104 HB2 MET 14 HB2 MET 14 -1.026 4.669 3.385 105 HB3 MET 14 HB1 MET 14 -2.175 3.794 4.377 106 HG2 MET 14 HG2 MET 14 -3.386 5.894 4.761 107 HG3 MET 14 HG1 MET 14 -2.250 6.719 3.690 108 HE1 MET 14 HE1 MET 14 -4.133 7.597 2.083 109 HE2 MET 14 HE2 MET 14 -5.328 6.908 3.178 110 HE3 MET 14 HE3 MET 14 -5.428 6.587 1.446 111 H ALA 15 HN ALA 15 -1.495 2.786 6.188 112 HA ALA 15 HA ALA 15 1.169 1.643 6.344 113 HB1 ALA 15 HB1 ALA 15 -0.445 1.021 8.072 114 HB2 ALA 15 HB2 ALA 15 -0.078 -0.390 7.075 115 HB3 ALA 15 HB3 ALA 15 -1.587 0.488 6.841 116 H LEU 16 HN LEU 16 1.567 -0.336 5.069 117 HA LEU 16 HA LEU 16 1.152 0.155 2.324 118 HB2 LEU 16 HB2 LEU 16 2.056 -2.370 3.695 119 HB3 LEU 16 HB1 LEU 16 2.199 -2.048 1.976 120 HG LEU 16 HG LEU 16 3.609 -0.596 4.207 121 HD11 LEU 16 HD11 LEU 16 4.589 -2.749 3.661 122 HD12 LEU 16 HD12 LEU 16 5.625 -1.427 3.120 123 HD13 LEU 16 HD13 LEU 16 4.639 -2.305 1.957 124 HD21 LEU 16 HD21 LEU 16 4.670 0.672 2.374 125 HD22 LEU 16 HD22 LEU 16 2.926 0.933 2.606 126 HD23 LEU 16 HD23 LEU 16 3.479 -0.096 1.282 127 H VAL 17 HN VAL 17 -0.125 -2.375 4.345 128 HA VAL 17 HA VAL 17 -1.862 -3.437 2.453 129 HB VAL 17 HB VAL 17 -1.008 -4.500 4.426 130 HG11 VAL 17 HG11 VAL 17 -2.939 -2.769 5.979 131 HG12 VAL 17 HG12 VAL 17 -1.181 -2.735 6.044 132 HG13 VAL 17 HG13 VAL 17 -2.055 -4.142 6.665 133 HG21 VAL 17 HG21 VAL 17 -4.024 -4.494 4.360 134 HG22 VAL 17 HG22 VAL 17 -3.023 -5.780 5.042 135 HG23 VAL 17 HG23 VAL 17 -2.988 -5.449 3.315 136 H GLU 18 HN GLU 18 -2.156 -0.637 4.436 137 HA GLU 18 HA GLU 18 -5.008 -0.519 4.437 138 HB2 GLU 18 HB2 GLU 18 -3.747 0.547 6.217 139 HB3 GLU 18 HB1 GLU 18 -2.941 1.591 5.058 140 HG2 GLU 18 HG2 GLU 18 -4.995 2.734 4.588 141 HG3 GLU 18 HG1 GLU 18 -5.895 1.597 5.591 142 H ILE 19 HN ILE 19 -2.441 0.886 2.519 143 HA ILE 19 HA ILE 19 -4.024 2.537 0.869 144 HB ILE 19 HB ILE 19 -1.491 1.036 0.094 145 HG12 ILE 19 HG12 ILE 19 -1.777 3.833 1.224 146 HG13 ILE 19 HG11 ILE 19 -1.204 2.437 2.128 147 HG21 ILE 19 HG21 ILE 19 -2.752 3.519 -1.064 148 HG22 ILE 19 HG22 ILE 19 -2.704 1.922 -1.817 149 HG23 ILE 19 HG23 ILE 19 -1.206 2.824 -1.556 150 HD11 ILE 19 HD11 ILE 19 0.137 3.674 -0.270 151 HD12 ILE 19 HD12 ILE 19 0.716 2.264 0.616 152 HD13 ILE 19 HD13 ILE 19 0.644 3.837 1.413 153 H ALA 20 HN ALA 20 -2.861 -0.743 0.492 154 HA ALA 20 HA ALA 20 -4.099 -1.463 -1.898 155 HB1 ALA 20 HB1 ALA 20 -3.517 -3.271 0.442 156 HB2 ALA 20 HB2 ALA 20 -2.347 -2.780 -0.776 157 HB3 ALA 20 HB3 ALA 20 -3.732 -3.766 -1.239 158 H HIS 21 HN HIS 21 -5.306 -1.751 1.434 159 HA HIS 21 HA HIS 21 -7.737 -2.978 1.047 160 HB2 HIS 21 HB2 HIS 21 -6.815 -2.410 3.259 161 HB3 HIS 21 HB1 HIS 21 -7.058 -0.696 2.921 162 HD1 HIS 21 HD1 HIS 21 -9.420 0.270 3.329 163 HD2 HIS 21 HD2 HIS 21 -9.167 -3.856 3.875 164 HE1 HIS 21 HE1 HIS 21 -11.545 -0.402 4.423 165 HE2 HIS 21 HE2 HIS 21 -11.477 -2.910 4.477 166 H GLU 22 HN GLU 22 -6.910 0.440 0.654 167 HA GLU 22 HA GLU 22 -9.559 1.253 0.150 168 HB2 GLU 22 HB2 GLU 22 -6.988 2.649 -0.526 169 HB3 GLU 22 HB1 GLU 22 -8.589 3.382 -0.523 170 HG2 GLU 22 HG2 GLU 22 -7.082 2.305 1.842 171 HG3 GLU 22 HG1 GLU 22 -7.455 3.992 1.491 172 H LEU 23 HN LEU 23 -6.950 0.181 -1.980 173 HA LEU 23 HA LEU 23 -8.136 0.791 -4.477 174 HB2 LEU 23 HB2 LEU 23 -6.394 -1.523 -3.645 175 HB3 LEU 23 HB1 LEU 23 -7.140 -1.520 -5.217 176 HG LEU 23 HG LEU 23 -4.877 -0.851 -5.431 177 HD11 LEU 23 HD11 LEU 23 -6.389 0.253 -6.914 178 HD12 LEU 23 HD12 LEU 23 -5.044 1.311 -6.496 179 HD13 LEU 23 HD13 LEU 23 -6.622 1.565 -5.759 180 HD21 LEU 23 HD21 LEU 23 -4.420 -0.116 -3.208 181 HD22 LEU 23 HD22 LEU 23 -5.463 1.289 -3.423 182 HD23 LEU 23 HD23 LEU 23 -3.966 1.140 -4.368 183 H PHE 24 HN PHE 24 -8.627 -1.913 -2.341 184 HA PHE 24 HA PHE 24 -10.471 -3.089 -4.149 185 HB2 PHE 24 HB2 PHE 24 -9.705 -3.843 -1.348 186 HB3 PHE 24 HB1 PHE 24 -10.800 -4.802 -2.351 187 HD1 PHE 24 HD2 PHE 24 -9.935 -5.202 -4.783 188 HD2 PHE 24 HD1 PHE 24 -7.474 -4.375 -1.447 189 HE1 PHE 24 HE2 PHE 24 -8.035 -6.157 -5.964 190 HE2 PHE 24 HE1 PHE 24 -5.542 -5.319 -2.641 191 HZ PHE 24 HZ PHE 24 -5.834 -6.219 -4.909 192 H GLU 25 HN GLU 25 -10.851 -1.070 -1.354 193 HA GLU 25 HA GLU 25 -13.657 -1.369 -1.167 194 HB2 GLU 25 HB2 GLU 25 -11.845 0.903 -0.352 195 HB3 GLU 25 HB1 GLU 25 -13.562 0.857 0.013 196 HG2 GLU 25 HG2 GLU 25 -11.575 -1.223 0.896 197 HG3 GLU 25 HG1 GLU 25 -12.108 0.133 1.883 198 H GLU 26 HN GLU 26 -11.611 0.773 -3.068 199 HA GLU 26 HA GLU 26 -13.805 2.293 -4.123 200 HB2 GLU 26 HB2 GLU 26 -11.509 3.208 -3.971 201 HB3 GLU 26 HB1 GLU 26 -10.982 2.045 -5.179 202 HG2 GLU 26 HG2 GLU 26 -12.757 3.072 -6.696 203 HG3 GLU 26 HG1 GLU 26 -12.848 4.367 -5.515 204 H HIS 27 HN HIS 27 -11.797 -0.360 -5.316 205 HA HIS 27 HA HIS 27 -12.998 -0.268 -7.935 206 HB2 HIS 27 HB2 HIS 27 -11.035 -2.256 -6.772 207 HB3 HIS 27 HB1 HIS 27 -11.619 -2.310 -8.424 208 HD1 HIS 27 HD1 HIS 27 -9.092 -2.028 -9.213 209 HD2 HIS 27 HD2 HIS 27 -10.626 1.219 -7.116 210 HE1 HIS 27 HE1 HIS 27 -7.401 -0.213 -9.441 211 HE2 HIS 27 HE2 HIS 27 -8.437 1.789 -8.374 212 H LYS 28 HN LYS 28 -13.424 -2.272 -5.045 213 HA LYS 28 HA LYS 28 -14.945 -3.819 -4.439 214 HB2 LYS 28 HB2 LYS 28 -16.504 -2.910 -6.882 215 HB3 LYS 28 HB1 LYS 28 -17.148 -3.883 -5.575 216 HG2 LYS 28 HG2 LYS 28 -16.113 -1.069 -5.257 217 HG3 LYS 28 HG1 LYS 28 -17.803 -1.482 -5.513 218 HD2 LYS 28 HD2 LYS 28 -16.121 -2.404 -3.172 219 HD3 LYS 28 HD1 LYS 28 -17.243 -1.047 -3.137 220 HE2 LYS 28 HE2 LYS 28 -19.056 -2.680 -3.810 221 HE3 LYS 28 HE1 LYS 28 -17.887 -3.967 -3.535 222 HZ1 LYS 28 HZ1 LYS 28 -19.260 -3.638 -1.574 223 HZ2 LYS 28 HZ2 LYS 28 -18.840 -2.010 -1.533 224 HZ3 LYS 28 HZ3 LYS 28 -17.671 -3.156 -1.221 225 H LYS 29 HN LYS 29 -12.863 -4.294 -6.586 226 HA LYS 29 HA LYS 29 -13.812 -6.876 -7.569 227 HB2 LYS 29 HB2 LYS 29 -12.320 -4.763 -9.132 228 HB3 LYS 29 HB1 LYS 29 -12.598 -6.397 -9.697 229 HG2 LYS 29 HG2 LYS 29 -14.957 -6.030 -9.843 230 HG3 LYS 29 HG1 LYS 29 -14.816 -4.465 -9.044 231 HD2 LYS 29 HD2 LYS 29 -13.530 -5.135 -11.690 232 HD3 LYS 29 HD1 LYS 29 -15.094 -4.337 -11.543 233 HE2 LYS 29 HE2 LYS 29 -14.041 -2.497 -10.310 234 HE3 LYS 29 HE1 LYS 29 -12.479 -3.289 -10.430 235 HZ1 LYS 29 HZ1 LYS 29 -12.681 -1.577 -12.053 236 HZ2 LYS 29 HZ2 LYS 29 -14.090 -2.221 -12.683 237 HZ3 LYS 29 HZ3 LYS 29 -12.623 -3.048 -12.856 238 HA PRO 30 HA PRO 30 -9.741 -7.955 -5.957 239 HB2 PRO 30 HB2 PRO 30 -9.707 -10.304 -7.698 240 HB3 PRO 30 HB1 PRO 30 -9.864 -10.241 -5.941 241 HG2 PRO 30 HG2 PRO 30 -11.886 -10.988 -7.564 242 HG3 PRO 30 HG1 PRO 30 -12.162 -10.148 -6.028 243 HD2 PRO 30 HD2 PRO 30 -12.155 -9.055 -8.818 244 HD3 PRO 30 HD1 PRO 30 -13.277 -8.725 -7.478 245 H VAL 31 HN VAL 31 -7.592 -7.814 -6.568 246 HA VAL 31 HA VAL 31 -6.956 -7.478 -9.418 247 HB VAL 31 HB VAL 31 -6.056 -5.566 -7.215 248 HG11 VAL 31 HG11 VAL 31 -5.079 -4.216 -9.004 249 HG12 VAL 31 HG12 VAL 31 -5.545 -5.443 -10.181 250 HG13 VAL 31 HG13 VAL 31 -4.362 -5.825 -8.931 251 HG21 VAL 31 HG21 VAL 31 -7.968 -5.044 -9.491 252 HG22 VAL 31 HG22 VAL 31 -7.397 -3.846 -8.329 253 HG23 VAL 31 HG23 VAL 31 -8.410 -5.184 -7.791 254 HA PRO 32 HA PRO 32 -3.510 -10.178 -8.154 255 HB2 PRO 32 HB2 PRO 32 -2.152 -8.898 -10.460 256 HB3 PRO 32 HB1 PRO 32 -2.400 -10.614 -10.125 257 HG2 PRO 32 HG2 PRO 32 -3.811 -9.413 -12.022 258 HG3 PRO 32 HG1 PRO 32 -4.569 -10.599 -10.946 259 HD2 PRO 32 HD2 PRO 32 -4.746 -7.614 -10.886 260 HD3 PRO 32 HD1 PRO 32 -6.000 -8.843 -10.608 261 H PHE 33 HN PHE 33 -1.667 -9.944 -7.058 262 HA PHE 33 HA PHE 33 -1.250 -7.705 -5.532 263 HB2 PHE 33 HB2 PHE 33 -0.485 -9.984 -4.981 264 HB3 PHE 33 HB1 PHE 33 0.794 -9.818 -6.188 265 HD1 PHE 33 HD2 PHE 33 -0.423 -8.720 -2.911 266 HD2 PHE 33 HD1 PHE 33 2.748 -8.542 -5.730 267 HE1 PHE 33 HE2 PHE 33 1.038 -7.750 -1.194 268 HE2 PHE 33 HE1 PHE 33 4.208 -7.586 -4.046 269 HZ PHE 33 HZ PHE 33 3.367 -7.170 -1.756 270 H GLN 34 HN GLN 34 0.569 -8.630 -8.407 271 HA GLN 34 HA GLN 34 2.455 -6.516 -8.094 272 HB2 GLN 34 HB2 GLN 34 1.886 -8.373 -10.385 273 HB3 GLN 34 HB1 GLN 34 3.121 -7.126 -10.471 274 HG2 GLN 34 HG2 GLN 34 3.122 -9.148 -8.264 275 HG3 GLN 34 HG1 GLN 34 3.805 -9.529 -9.838 276 HE21 GLN 34 HE21 GLN 34 4.063 -6.267 -8.490 277 HE22 GLN 34 HE22 GLN 34 5.760 -6.386 -8.197 278 H GLU 35 HN GLU 35 -0.511 -6.889 -9.805 279 HA GLU 35 HA GLU 35 -0.213 -4.623 -11.480 280 HB2 GLU 35 HB2 GLU 35 -2.746 -6.006 -10.597 281 HB3 GLU 35 HB1 GLU 35 -2.585 -4.918 -11.964 282 HG2 GLU 35 HG2 GLU 35 -1.234 -7.591 -11.690 283 HG3 GLU 35 HG1 GLU 35 -2.683 -7.278 -12.642 284 H LEU 36 HN LEU 36 -1.718 -5.248 -8.341 285 HA LEU 36 HA LEU 36 -2.770 -2.640 -8.128 286 HB2 LEU 36 HB2 LEU 36 -3.395 -3.172 -5.846 287 HB3 LEU 36 HB1 LEU 36 -3.770 -4.515 -6.890 288 HG LEU 36 HG LEU 36 -1.458 -5.431 -5.971 289 HD11 LEU 36 HD11 LEU 36 -1.066 -4.822 -3.661 290 HD12 LEU 36 HD12 LEU 36 -2.379 -3.650 -3.736 291 HD13 LEU 36 HD13 LEU 36 -0.933 -3.406 -4.711 292 HD21 LEU 36 HD21 LEU 36 -3.618 -6.533 -5.714 293 HD22 LEU 36 HD22 LEU 36 -4.003 -5.450 -4.370 294 HD23 LEU 36 HD23 LEU 36 -2.685 -6.606 -4.218 295 H LEU 37 HN LEU 37 0.346 -4.018 -7.222 296 HA LEU 37 HA LEU 37 1.219 -1.818 -5.699 297 HB2 LEU 37 HB2 LEU 37 2.517 -4.124 -6.986 298 HB3 LEU 37 HB1 LEU 37 3.540 -2.714 -6.822 299 HG LEU 37 HG LEU 37 3.905 -4.237 -4.995 300 HD11 LEU 37 HD11 LEU 37 2.428 -1.779 -4.060 301 HD12 LEU 37 HD12 LEU 37 4.124 -1.868 -4.527 302 HD13 LEU 37 HD13 LEU 37 3.557 -2.742 -3.106 303 HD21 LEU 37 HD21 LEU 37 2.178 -4.751 -3.356 304 HD22 LEU 37 HD22 LEU 37 1.728 -5.341 -4.958 305 HD23 LEU 37 HD23 LEU 37 1.002 -3.865 -4.320 306 H ASN 38 HN ASN 38 1.176 -2.458 -9.116 307 HA ASN 38 HA ASN 38 2.721 -0.198 -9.827 308 HB2 ASN 38 HB2 ASN 38 0.854 -1.960 -11.380 309 HB3 ASN 38 HB1 ASN 38 1.547 -0.518 -12.119 310 HD21 ASN 38 HD21 ASN 38 1.931 -3.425 -12.574 311 HD22 ASN 38 HD22 ASN 38 3.630 -3.683 -12.552 312 H GLU 39 HN GLU 39 -0.708 -0.650 -9.259 313 HA GLU 39 HA GLU 39 -1.413 1.976 -10.074 314 HB2 GLU 39 HB2 GLU 39 -2.830 0.151 -8.112 315 HB3 GLU 39 HB1 GLU 39 -3.498 1.635 -8.776 316 HG2 GLU 39 HG2 GLU 39 -3.210 0.618 -11.036 317 HG3 GLU 39 HG1 GLU 39 -2.864 -0.913 -10.227 318 H ILE 40 HN ILE 40 -0.687 0.538 -6.955 319 HA ILE 40 HA ILE 40 -0.972 2.809 -5.374 320 HB ILE 40 HB ILE 40 0.831 0.411 -4.979 321 HG12 ILE 40 HG12 ILE 40 -1.845 1.156 -3.789 322 HG13 ILE 40 HG11 ILE 40 -1.585 -0.030 -5.058 323 HG21 ILE 40 HG21 ILE 40 0.962 1.079 -2.592 324 HG22 ILE 40 HG22 ILE 40 0.171 2.605 -3.003 325 HG23 ILE 40 HG23 ILE 40 1.754 2.229 -3.668 326 HD11 ILE 40 HD11 ILE 40 -0.298 -1.394 -3.496 327 HD12 ILE 40 HD12 ILE 40 -1.937 -1.091 -2.920 328 HD13 ILE 40 HD13 ILE 40 -0.580 -0.198 -2.231 329 H ALA 41 HN ALA 41 1.985 1.595 -6.931 330 HA ALA 41 HA ALA 41 3.639 3.660 -5.985 331 HB1 ALA 41 HB1 ALA 41 4.054 1.992 -8.461 332 HB2 ALA 41 HB2 ALA 41 4.488 1.528 -6.809 333 HB3 ALA 41 HB3 ALA 41 5.278 2.906 -7.567 334 H SER 42 HN SER 42 1.552 3.507 -8.775 335 HA SER 42 HA SER 42 2.622 5.880 -9.907 336 HB2 SER 42 HB2 SER 42 1.400 4.179 -11.248 337 HB3 SER 42 HB1 SER 42 -0.069 4.557 -10.361 338 HG SER 42 HG SER 42 1.078 6.783 -11.475 339 H LEU 43 HN LEU 43 -0.116 5.183 -7.783 340 HA LEU 43 HA LEU 43 -1.128 7.832 -7.668 341 HB2 LEU 43 HB2 LEU 43 -1.346 5.614 -5.628 342 HB3 LEU 43 HB1 LEU 43 -2.327 7.062 -5.667 343 HG LEU 43 HG LEU 43 -2.331 4.868 -7.727 344 HD11 LEU 43 HD11 LEU 43 -4.602 4.435 -6.898 345 HD12 LEU 43 HD12 LEU 43 -4.344 5.627 -5.618 346 HD13 LEU 43 HD13 LEU 43 -3.365 4.165 -5.672 347 HD21 LEU 43 HD21 LEU 43 -2.781 6.993 -8.786 348 HD22 LEU 43 HD22 LEU 43 -3.944 7.405 -7.531 349 HD23 LEU 43 HD23 LEU 43 -4.288 6.087 -8.645 350 H LEU 44 HN LEU 44 0.861 5.950 -5.482 351 HA LEU 44 HA LEU 44 1.567 8.130 -3.770 352 HB2 LEU 44 HB2 LEU 44 1.421 5.868 -2.920 353 HB3 LEU 44 HB1 LEU 44 2.512 5.288 -4.151 354 HG LEU 44 HG LEU 44 4.325 6.601 -3.060 355 HD11 LEU 44 HD11 LEU 44 2.305 6.950 -0.859 356 HD12 LEU 44 HD12 LEU 44 2.985 8.231 -1.866 357 HD13 LEU 44 HD13 LEU 44 4.023 7.332 -0.759 358 HD21 LEU 44 HD21 LEU 44 2.951 4.489 -1.408 359 HD22 LEU 44 HD22 LEU 44 4.642 4.976 -1.254 360 HD23 LEU 44 HD23 LEU 44 4.072 4.220 -2.743 361 H GLY 45 HN GLY 45 2.661 9.654 -4.817 362 HA2 GLY 45 HA2 GLY 45 4.373 9.409 -7.038 363 HA3 GLY 45 HA1 GLY 45 4.417 10.746 -5.912 364 H VAL 46 HN VAL 46 5.600 7.455 -6.362 365 HA VAL 46 HA VAL 46 8.227 8.199 -5.247 366 HB VAL 46 HB VAL 46 8.370 6.015 -4.089 367 HG11 VAL 46 HG11 VAL 46 6.005 7.668 -3.236 368 HG12 VAL 46 HG12 VAL 46 7.677 7.908 -2.762 369 HG13 VAL 46 HG13 VAL 46 6.809 6.466 -2.229 370 HG21 VAL 46 HG21 VAL 46 5.475 5.682 -4.908 371 HG22 VAL 46 HG22 VAL 46 6.310 4.655 -3.747 372 HG23 VAL 46 HG23 VAL 46 6.839 4.696 -5.430 373 H LYS 47 HN LYS 47 9.739 6.100 -5.669 374 HA LYS 47 HA LYS 47 9.460 5.381 -8.462 375 HB2 LYS 47 HB2 LYS 47 11.580 4.655 -6.431 376 HB3 LYS 47 HB1 LYS 47 11.622 4.235 -8.134 377 HG2 LYS 47 HG2 LYS 47 11.728 6.623 -8.688 378 HG3 LYS 47 HG1 LYS 47 11.733 7.004 -6.965 379 HD2 LYS 47 HD2 LYS 47 14.022 7.043 -7.722 380 HD3 LYS 47 HD1 LYS 47 13.788 5.606 -6.733 381 HE2 LYS 47 HE2 LYS 47 15.114 5.096 -8.714 382 HE3 LYS 47 HE1 LYS 47 13.586 4.230 -8.739 383 HZ1 LYS 47 HZ1 LYS 47 14.111 6.751 -10.230 384 HZ2 LYS 47 HZ2 LYS 47 12.734 5.786 -10.354 385 HZ3 LYS 47 HZ3 LYS 47 14.221 5.213 -10.871 386 H LYS 48 HN LYS 48 9.522 3.179 -9.114 387 HA LYS 48 HA LYS 48 7.682 1.513 -7.759 388 HB2 LYS 48 HB2 LYS 48 7.915 1.411 -10.148 389 HB3 LYS 48 HB1 LYS 48 9.612 0.984 -10.014 390 HG2 LYS 48 HG2 LYS 48 8.518 -1.001 -10.558 391 HG3 LYS 48 HG1 LYS 48 8.889 -1.055 -8.832 392 HD2 LYS 48 HD2 LYS 48 6.556 -0.549 -8.245 393 HD3 LYS 48 HD1 LYS 48 6.141 -0.293 -9.936 394 HE2 LYS 48 HE2 LYS 48 6.911 -2.906 -8.620 395 HE3 LYS 48 HE1 LYS 48 5.339 -2.433 -9.275 396 HZ1 LYS 48 HZ1 LYS 48 6.218 -2.419 -11.467 397 HZ2 LYS 48 HZ2 LYS 48 6.596 -3.898 -10.751 398 HZ3 LYS 48 HZ3 LYS 48 7.778 -2.729 -10.914 399 H GLU 49 HN GLU 49 11.170 1.424 -8.163 400 HA GLU 49 HA GLU 49 11.463 -1.039 -6.822 401 HB2 GLU 49 HB2 GLU 49 13.974 -0.489 -6.929 402 HB3 GLU 49 HB1 GLU 49 13.098 -0.795 -8.413 403 HG2 GLU 49 HG2 GLU 49 13.681 1.985 -7.398 404 HG3 GLU 49 HG1 GLU 49 14.759 1.073 -8.448 405 H GLU 50 HN GLU 50 11.630 2.226 -5.618 406 HA GLU 50 HA GLU 50 12.868 1.448 -3.154 407 HB2 GLU 50 HB2 GLU 50 12.165 3.633 -2.273 408 HB3 GLU 50 HB1 GLU 50 12.820 3.825 -3.888 409 HG2 GLU 50 HG2 GLU 50 10.503 3.911 -4.758 410 HG3 GLU 50 HG1 GLU 50 9.927 3.812 -3.105 411 H LEU 51 HN LEU 51 9.628 1.675 -4.367 412 HA LEU 51 HA LEU 51 8.456 0.836 -1.932 413 HB2 LEU 51 HB2 LEU 51 7.319 2.306 -3.623 414 HB3 LEU 51 HB1 LEU 51 7.291 0.920 -4.698 415 HG LEU 51 HG LEU 51 5.846 -0.278 -3.072 416 HD11 LEU 51 HD11 LEU 51 6.481 0.851 -1.034 417 HD12 LEU 51 HD12 LEU 51 4.743 0.988 -1.290 418 HD13 LEU 51 HD13 LEU 51 5.796 2.362 -1.629 419 HD21 LEU 51 HD21 LEU 51 3.809 1.030 -3.517 420 HD22 LEU 51 HD22 LEU 51 4.836 0.844 -4.935 421 HD23 LEU 51 HD23 LEU 51 4.815 2.377 -4.058 422 H GLY 52 HN GLY 52 10.349 -0.604 -4.168 423 HA2 GLY 52 HA2 GLY 52 9.088 -3.166 -4.551 424 HA3 GLY 52 HA1 GLY 52 10.724 -2.710 -5.007 425 H ASP 53 HN ASP 53 11.893 -1.959 -2.690 426 HA ASP 53 HA ASP 53 12.016 -4.383 -1.216 427 HB2 ASP 53 HB2 ASP 53 13.391 -3.178 0.515 428 HB3 ASP 53 HB1 ASP 53 14.017 -2.982 -1.107 429 H ARG 54 HN ARG 54 10.247 -1.404 -0.812 430 HA ARG 54 HA ARG 54 8.931 -2.382 1.467 431 HB2 ARG 54 HB2 ARG 54 8.396 -0.095 -0.299 432 HB3 ARG 54 HB1 ARG 54 6.985 -0.748 0.528 433 HG2 ARG 54 HG2 ARG 54 7.888 1.031 1.843 434 HG3 ARG 54 HG1 ARG 54 8.223 -0.487 2.671 435 HD2 ARG 54 HD2 ARG 54 10.484 -0.423 1.526 436 HD3 ARG 54 HD1 ARG 54 10.077 1.222 1.080 437 HE ARG 54 HE ARG 54 9.710 0.797 3.868 438 HH11 ARG 54 HH11 ARG 54 12.278 1.262 1.491 439 HH12 ARG 54 HH12 ARG 54 13.298 2.125 2.547 440 HH21 ARG 54 HH21 ARG 54 11.128 1.915 5.337 441 HH22 ARG 54 HH22 ARG 54 12.634 2.526 4.790 442 H ILE 55 HN ILE 55 8.610 -3.422 -1.758 443 HA ILE 55 HA ILE 55 5.965 -4.449 -1.500 444 HB ILE 55 HB ILE 55 8.184 -5.237 -3.442 445 HG12 ILE 55 HG12 ILE 55 5.559 -3.817 -3.881 446 HG13 ILE 55 HG11 ILE 55 7.130 -3.046 -3.829 447 HG21 ILE 55 HG21 ILE 55 6.511 -6.571 -4.669 448 HG22 ILE 55 HG22 ILE 55 5.366 -6.244 -3.360 449 HG23 ILE 55 HG23 ILE 55 6.808 -7.205 -3.041 450 HD11 ILE 55 HD11 ILE 55 6.190 -5.033 -5.893 451 HD12 ILE 55 HD12 ILE 55 7.794 -4.311 -5.839 452 HD13 ILE 55 HD13 ILE 55 6.379 -3.294 -6.118 453 H ALA 56 HN ALA 56 9.158 -5.741 -0.914 454 HA ALA 56 HA ALA 56 8.398 -8.335 -0.116 455 HB1 ALA 56 HB1 ALA 56 10.748 -7.681 -0.407 456 HB2 ALA 56 HB2 ALA 56 10.474 -8.361 1.199 457 HB3 ALA 56 HB3 ALA 56 10.624 -6.616 0.995 458 H GLN 57 HN GLN 57 8.770 -5.372 1.715 459 HA GLN 57 HA GLN 57 7.900 -6.281 4.244 460 HB2 GLN 57 HB2 GLN 57 9.070 -4.058 3.441 461 HB3 GLN 57 HB1 GLN 57 7.433 -3.483 3.236 462 HG2 GLN 57 HG2 GLN 57 8.584 -4.462 5.855 463 HG3 GLN 57 HG1 GLN 57 8.552 -2.792 5.329 464 HE21 GLN 57 HE21 GLN 57 6.728 -5.419 6.668 465 HE22 GLN 57 HE22 GLN 57 5.326 -4.493 7.031 466 H PHE 58 HN PHE 58 6.258 -4.942 1.462 467 HA PHE 58 HA PHE 58 3.665 -4.566 2.377 468 HB2 PHE 58 HB2 PHE 58 4.853 -3.932 0.157 469 HB3 PHE 58 HB1 PHE 58 4.329 -5.508 -0.398 470 HD1 PHE 58 HD1 PHE 58 1.766 -5.928 -0.358 471 HD2 PHE 58 HD2 PHE 58 3.554 -2.091 -0.032 472 HE1 PHE 58 HE1 PHE 58 -0.324 -4.878 -1.133 473 HE2 PHE 58 HE2 PHE 58 1.468 -1.046 -0.779 474 HZ PHE 58 HZ PHE 58 -0.465 -2.438 -1.332 475 H TYR 59 HN TYR 59 5.239 -7.430 0.937 476 HA TYR 59 HA TYR 59 3.013 -9.119 0.909 477 HB2 TYR 59 HB2 TYR 59 5.936 -9.726 1.246 478 HB3 TYR 59 HB1 TYR 59 4.737 -10.998 1.383 479 HD1 TYR 59 HD2 TYR 59 3.188 -11.365 -0.626 480 HD2 TYR 59 HD1 TYR 59 6.763 -9.095 -0.830 481 HE1 TYR 59 HE2 TYR 59 3.241 -11.678 -3.063 482 HE2 TYR 59 HE1 TYR 59 6.832 -9.403 -3.258 483 HH TYR 59 HH TYR 59 5.987 -10.904 -4.925 484 H THR 60 HN THR 60 5.441 -8.741 3.476 485 HA THR 60 HA THR 60 4.107 -10.474 5.250 486 HB THR 60 HB THR 60 5.992 -8.209 5.869 487 HG1 THR 60 HG1 THR 60 7.512 -9.502 5.173 488 HG21 THR 60 HG21 THR 60 4.843 -9.053 7.877 489 HG22 THR 60 HG22 THR 60 6.537 -9.541 7.890 490 HG23 THR 60 HG23 THR 60 5.285 -10.702 7.445 491 H ASP 61 HN ASP 61 3.962 -6.984 4.887 492 HA ASP 61 HA ASP 61 2.328 -6.348 7.082 493 HB2 ASP 61 HB2 ASP 61 3.696 -4.767 5.674 494 HB3 ASP 61 HB1 ASP 61 2.491 -4.934 4.409 495 H LEU 62 HN LEU 62 1.644 -7.382 3.836 496 HA LEU 62 HA LEU 62 -1.181 -7.024 3.865 497 HB2 LEU 62 HB2 LEU 62 0.674 -7.446 1.950 498 HB3 LEU 62 HB1 LEU 62 0.115 -9.085 2.159 499 HG LEU 62 HG LEU 62 -1.049 -8.211 0.326 500 HD11 LEU 62 HD11 LEU 62 -2.875 -8.031 2.680 501 HD12 LEU 62 HD12 LEU 62 -2.440 -9.485 1.782 502 HD13 LEU 62 HD13 LEU 62 -3.360 -8.203 0.995 503 HD21 LEU 62 HD21 LEU 62 -1.658 -5.796 2.004 504 HD22 LEU 62 HD22 LEU 62 -2.332 -6.117 0.406 505 HD23 LEU 62 HD23 LEU 62 -0.595 -5.891 0.607 506 H ASN 63 HN ASN 63 1.001 -9.815 4.181 507 HA ASN 63 HA ASN 63 -0.977 -11.793 4.476 508 HB2 ASN 63 HB2 ASN 63 1.948 -11.914 5.290 509 HB3 ASN 63 HB1 ASN 63 0.842 -13.277 5.328 510 HD21 ASN 63 HD21 ASN 63 3.320 -12.905 3.841 511 HD22 ASN 63 HD22 ASN 63 2.933 -13.136 2.189 512 H ILE 64 HN ILE 64 0.234 -9.593 6.820 513 HA ILE 64 HA ILE 64 -0.712 -11.292 8.970 514 HB ILE 64 HB ILE 64 0.019 -9.534 10.534 515 HG12 ILE 64 HG12 ILE 64 0.992 -8.104 8.046 516 HG13 ILE 64 HG11 ILE 64 -0.345 -7.585 9.063 517 HG21 ILE 64 HG21 ILE 64 2.098 -10.389 8.526 518 HG22 ILE 64 HG22 ILE 64 1.552 -11.309 9.926 519 HG23 ILE 64 HG23 ILE 64 2.432 -9.798 10.152 520 HD11 ILE 64 HD11 ILE 64 2.538 -7.785 9.895 521 HD12 ILE 64 HD12 ILE 64 1.203 -7.243 10.915 522 HD13 ILE 64 HD13 ILE 64 1.670 -6.304 9.495 523 H ASP 65 HN ASP 65 -2.034 -8.898 6.980 524 HA ASP 65 HA ASP 65 -3.938 -7.910 8.881 525 HB2 ASP 65 HB2 ASP 65 -3.383 -6.501 6.987 526 HB3 ASP 65 HB1 ASP 65 -3.908 -7.744 5.851 527 H GLY 66 HN GLY 66 -6.146 -8.382 8.971 528 HA2 GLY 66 HA2 GLY 66 -6.613 -11.186 8.249 529 HA3 GLY 66 HA1 GLY 66 -7.349 -10.344 9.628 530 H ARG 67 HN ARG 67 -7.535 -8.198 7.060 531 HA ARG 67 HA ARG 67 -10.252 -9.145 6.554 532 HB2 ARG 67 HB2 ARG 67 -9.061 -6.382 6.333 533 HB3 ARG 67 HB1 ARG 67 -10.677 -6.802 5.787 534 HG2 ARG 67 HG2 ARG 67 -11.220 -7.495 8.104 535 HG3 ARG 67 HG1 ARG 67 -9.633 -6.901 8.598 536 HD2 ARG 67 HD2 ARG 67 -11.733 -5.250 7.231 537 HD3 ARG 67 HD1 ARG 67 -11.482 -5.279 8.975 538 HE ARG 67 HE ARG 67 -9.042 -4.633 7.905 539 HH11 ARG 67 HH11 ARG 67 -12.283 -3.266 7.584 540 HH12 ARG 67 HH12 ARG 67 -11.751 -1.648 7.520 541 HH21 ARG 67 HH21 ARG 67 -8.302 -2.453 7.807 542 HH22 ARG 67 HH22 ARG 67 -9.403 -1.158 7.645 543 H PHE 68 HN PHE 68 -7.218 -8.559 5.212 544 HA PHE 68 HA PHE 68 -8.071 -8.541 2.512 545 HB2 PHE 68 HB2 PHE 68 -5.594 -8.336 3.940 546 HB3 PHE 68 HB1 PHE 68 -5.438 -9.441 2.574 547 HD1 PHE 68 HD1 PHE 68 -5.736 -8.693 0.346 548 HD2 PHE 68 HD2 PHE 68 -6.055 -5.993 3.595 549 HE1 PHE 68 HE1 PHE 68 -5.541 -6.838 -1.210 550 HE2 PHE 68 HE2 PHE 68 -5.864 -4.101 2.031 551 HZ PHE 68 HZ PHE 68 -5.606 -4.542 -0.402 552 H LEU 69 HN LEU 69 -7.494 -10.156 0.956 553 HA LEU 69 HA LEU 69 -7.376 -12.913 1.867 554 HB2 LEU 69 HB2 LEU 69 -9.683 -12.606 1.900 555 HB3 LEU 69 HB1 LEU 69 -9.708 -11.617 0.475 556 HG LEU 69 HG LEU 69 -9.066 -13.730 -0.808 557 HD11 LEU 69 HD11 LEU 69 -8.256 -15.045 1.065 558 HD12 LEU 69 HD12 LEU 69 -9.607 -15.849 0.266 559 HD13 LEU 69 HD13 LEU 69 -9.858 -15.016 1.798 560 HD21 LEU 69 HD21 LEU 69 -11.362 -14.533 -0.827 561 HD22 LEU 69 HD22 LEU 69 -11.276 -12.771 -0.847 562 HD23 LEU 69 HD23 LEU 69 -11.690 -13.618 0.644 563 H ALA 70 HN ALA 70 -6.086 -14.016 0.466 564 HA ALA 70 HA ALA 70 -5.615 -12.881 -2.178 565 HB1 ALA 70 HB1 ALA 70 -4.292 -15.226 -0.783 566 HB2 ALA 70 HB2 ALA 70 -3.566 -13.630 -1.041 567 HB3 ALA 70 HB3 ALA 70 -3.935 -14.681 -2.413 568 H LEU 71 HN LEU 71 -7.116 -13.474 -3.553 569 HA LEU 71 HA LEU 71 -8.452 -15.934 -3.215 570 HB2 LEU 71 HB2 LEU 71 -8.465 -13.973 -5.532 571 HB3 LEU 71 HB1 LEU 71 -9.446 -15.427 -5.498 572 HG LEU 71 HG LEU 71 -10.494 -14.471 -3.366 573 HD11 LEU 71 HD11 LEU 71 -10.461 -12.053 -3.083 574 HD12 LEU 71 HD12 LEU 71 -9.226 -11.923 -4.335 575 HD13 LEU 71 HD13 LEU 71 -8.868 -12.767 -2.830 576 HD21 LEU 71 HD21 LEU 71 -11.675 -14.541 -5.467 577 HD22 LEU 71 HD22 LEU 71 -10.920 -13.010 -5.951 578 HD23 LEU 71 HD23 LEU 71 -12.027 -13.060 -4.572 579 H SER 72 HN SER 72 -8.523 -17.337 -5.365 580 HA SER 72 HA SER 72 -6.549 -19.072 -5.102 581 HB2 SER 72 HB2 SER 72 -7.200 -19.909 -7.381 582 HB3 SER 72 HB1 SER 72 -8.489 -19.722 -6.187 583 HG SER 72 HG SER 72 -8.171 -18.558 -8.577 584 H ASP 73 HN ASP 73 -6.289 -16.446 -7.495 585 HA ASP 73 HA ASP 73 -3.652 -17.584 -8.121 586 HB2 ASP 73 HB2 ASP 73 -5.474 -15.924 -9.841 587 HB3 ASP 73 HB1 ASP 73 -3.777 -16.149 -10.239 588 H GLN 74 HN GLN 74 -4.060 -15.887 -5.879 589 HA GLN 74 HA GLN 74 -3.008 -14.196 -4.799 590 HB2 GLN 74 HB2 GLN 74 -1.125 -14.501 -7.123 591 HB3 GLN 74 HB1 GLN 74 -0.940 -13.119 -6.053 592 HG2 GLN 74 HG2 GLN 74 0.518 -15.040 -5.478 593 HG3 GLN 74 HG1 GLN 74 -0.550 -14.538 -4.172 594 HE21 GLN 74 HE21 GLN 74 -2.147 -15.907 -3.487 595 HE22 GLN 74 HE22 GLN 74 -2.303 -17.527 -4.016 596 H THR 75 HN THR 75 -5.031 -13.918 -6.706 597 HA THR 75 HA THR 75 -4.970 -11.122 -7.410 598 HB THR 75 HB THR 75 -7.406 -12.916 -7.252 599 HG1 THR 75 HG1 THR 75 -5.309 -12.938 -9.205 600 HG21 THR 75 HG21 THR 75 -8.138 -11.546 -9.135 601 HG22 THR 75 HG22 THR 75 -6.568 -10.739 -9.160 602 HG23 THR 75 HG23 THR 75 -7.648 -10.517 -7.783 603 H TRP 76 HN TRP 76 -5.227 -9.713 -5.666 604 HA TRP 76 HA TRP 76 -6.169 -10.972 -3.237 605 HB2 TRP 76 HB2 TRP 76 -4.630 -8.420 -3.717 606 HB3 TRP 76 HB1 TRP 76 -5.288 -8.871 -2.153 607 HD1 TRP 76 HD1 TRP 76 -2.558 -9.880 -4.645 608 HE1 TRP 76 HE1 TRP 76 -0.779 -11.276 -3.391 609 HE3 TRP 76 HE3 TRP 76 -4.933 -10.403 -0.171 610 HZ2 TRP 76 HZ2 TRP 76 -0.431 -12.438 -0.801 611 HZ3 TRP 76 HZ3 TRP 76 -3.827 -11.645 1.624 612 HH2 TRP 76 HH2 TRP 76 -1.629 -12.646 1.308 613 H GLY 77 HN GLY 77 -7.492 -9.771 -1.871 614 HA2 GLY 77 HA2 GLY 77 -8.932 -7.536 -2.730 615 HA3 GLY 77 HA1 GLY 77 -9.872 -9.017 -2.935 616 H LEU 78 HN LEU 78 -11.289 -8.538 -1.308 617 HA LEU 78 HA LEU 78 -10.059 -8.487 1.326 618 HB2 LEU 78 HB2 LEU 78 -12.539 -7.023 0.447 619 HB3 LEU 78 HB1 LEU 78 -11.969 -7.118 2.104 620 HG LEU 78 HG LEU 78 -10.458 -5.833 -0.181 621 HD11 LEU 78 HD11 LEU 78 -11.920 -4.587 2.122 622 HD12 LEU 78 HD12 LEU 78 -12.427 -4.559 0.432 623 HD13 LEU 78 HD13 LEU 78 -10.950 -3.732 0.926 624 HD21 LEU 78 HD21 LEU 78 -8.947 -6.733 1.490 625 HD22 LEU 78 HD22 LEU 78 -9.864 -5.945 2.773 626 HD23 LEU 78 HD23 LEU 78 -8.988 -4.974 1.591 627 H ARG 79 HN ARG 79 -10.839 -9.672 2.834 628 HA ARG 79 HA ARG 79 -12.234 -12.036 2.074 629 HB2 ARG 79 HB2 ARG 79 -10.245 -11.694 3.685 630 HB3 ARG 79 HB1 ARG 79 -11.443 -11.131 4.829 631 HG2 ARG 79 HG2 ARG 79 -12.504 -13.237 4.874 632 HG3 ARG 79 HG1 ARG 79 -11.503 -13.831 3.543 633 HD2 ARG 79 HD2 ARG 79 -10.545 -13.007 6.272 634 HD3 ARG 79 HD1 ARG 79 -10.690 -14.667 5.666 635 HE ARG 79 HE ARG 79 -8.834 -12.653 4.549 636 HH11 ARG 79 HH11 ARG 79 -9.454 -16.033 5.543 637 HH12 ARG 79 HH12 ARG 79 -7.930 -16.568 5.045 638 HH21 ARG 79 HH21 ARG 79 -6.738 -13.416 3.957 639 HH22 ARG 79 HH22 ARG 79 -6.338 -15.049 4.151 640 H SER 80 HN SER 80 -12.863 -9.067 3.751 641 HA SER 80 HA SER 80 -15.362 -9.682 4.936 642 HB2 SER 80 HB2 SER 80 -14.205 -6.996 4.189 643 HB3 SER 80 HB1 SER 80 -15.343 -7.356 5.491 644 HG SER 80 HG SER 80 -13.589 -8.810 6.258 645 H TRP 81 HN TRP 81 -14.955 -10.054 1.929 646 HA TRP 81 HA TRP 81 -17.057 -8.345 0.794 647 HB2 TRP 81 HB2 TRP 81 -14.858 -9.984 -0.326 648 HB3 TRP 81 HB1 TRP 81 -16.269 -9.641 -1.302 649 HD1 TRP 81 HD1 TRP 81 -16.087 -6.489 0.243 650 HE1 TRP 81 HE1 TRP 81 -14.610 -4.861 -1.088 651 HE3 TRP 81 HE3 TRP 81 -13.490 -9.899 -2.505 652 HZ2 TRP 81 HZ2 TRP 81 -12.604 -5.022 -3.074 653 HZ3 TRP 81 HZ3 TRP 81 -11.808 -9.087 -4.119 654 HH2 TRP 81 HH2 TRP 81 -11.373 -6.704 -4.389 655 H TYR 82 HN TYR 82 -16.454 -11.547 1.920 656 HA TYR 82 HA TYR 82 -18.867 -12.569 0.602 657 HB2 TYR 82 HB2 TYR 82 -16.175 -13.968 0.676 658 HB3 TYR 82 HB1 TYR 82 -17.654 -14.664 0.069 659 HD1 TYR 82 HD2 TYR 82 -18.553 -13.913 -2.117 660 HD2 TYR 82 HD1 TYR 82 -14.819 -12.507 -0.649 661 HE1 TYR 82 HE2 TYR 82 -17.915 -13.220 -4.389 662 HE2 TYR 82 HE1 TYR 82 -14.167 -11.832 -2.892 663 HH TYR 82 HH TYR 82 -16.399 -11.657 -5.454 Start of MODEL 14 1 H1 GLY 2 HT1 GLY 2 -13.077 4.645 -0.960 2 H2 GLY 2 HT2 GLY 2 -11.744 3.670 -0.881 3 H3 GLY 2 HT3 GLY 2 -12.137 4.421 -2.375 4 HA2 GLY 2 HA1 GLY 2 -11.700 6.570 -1.142 5 HA3 GLY 2 HA2 GLY 2 -11.081 5.523 0.133 6 H ILE 3 HN ILE 3 -9.043 6.261 -0.029 7 HA ILE 3 HA ILE 3 -6.979 6.413 -0.507 8 HB ILE 3 HB ILE 3 -7.181 3.904 -0.732 9 HG12 ILE 3 HG12 ILE 3 -4.840 3.652 -1.511 10 HG13 ILE 3 HG11 ILE 3 -4.862 5.350 -1.981 11 HG21 ILE 3 HG21 ILE 3 -8.115 3.748 -3.003 12 HG22 ILE 3 HG22 ILE 3 -6.572 2.900 -2.909 13 HG23 ILE 3 HG23 ILE 3 -6.658 4.494 -3.660 14 HD11 ILE 3 HD11 ILE 3 -3.803 5.026 0.204 15 HD12 ILE 3 HD12 ILE 3 -5.297 4.319 0.828 16 HD13 ILE 3 HD13 ILE 3 -5.256 6.001 0.357 17 H LYS 4 HN LYS 4 -8.694 6.292 -3.563 18 HA LYS 4 HA LYS 4 -6.549 7.402 -5.110 19 HB2 LYS 4 HB2 LYS 4 -8.120 7.599 -6.920 20 HB3 LYS 4 HB1 LYS 4 -8.416 6.078 -6.091 21 HG2 LYS 4 HG2 LYS 4 -10.301 7.082 -4.917 22 HG3 LYS 4 HG1 LYS 4 -10.013 8.609 -5.751 23 HD2 LYS 4 HD2 LYS 4 -10.363 7.421 -7.906 24 HD3 LYS 4 HD1 LYS 4 -10.806 5.976 -6.996 25 HE2 LYS 4 HE2 LYS 4 -12.604 7.305 -5.901 26 HE3 LYS 4 HE1 LYS 4 -12.193 8.647 -6.960 27 HZ1 LYS 4 HZ1 LYS 4 -13.251 5.989 -7.759 28 HZ2 LYS 4 HZ2 LYS 4 -12.691 7.154 -8.850 29 HZ3 LYS 4 HZ3 LYS 4 -14.023 7.493 -7.873 30 H GLN 5 HN GLN 5 -8.208 8.811 -2.763 31 HA GLN 5 HA GLN 5 -8.357 11.426 -4.051 32 HB2 GLN 5 HB2 GLN 5 -9.921 12.022 -2.207 33 HB3 GLN 5 HB1 GLN 5 -10.498 10.740 -3.258 34 HG2 GLN 5 HG2 GLN 5 -9.657 9.109 -1.531 35 HG3 GLN 5 HG1 GLN 5 -9.414 10.494 -0.468 36 HE21 GLN 5 HE21 GLN 5 -11.735 8.518 -2.112 37 HE22 GLN 5 HE22 GLN 5 -13.108 9.037 -1.228 38 H TYR 6 HN TYR 6 -6.187 9.785 -2.382 39 HA TYR 6 HA TYR 6 -5.429 12.040 -0.660 40 HB2 TYR 6 HB2 TYR 6 -4.336 9.233 -0.806 41 HB3 TYR 6 HB1 TYR 6 -3.737 10.462 0.285 42 HD1 TYR 6 HD2 TYR 6 -5.568 11.439 1.952 43 HD2 TYR 6 HD1 TYR 6 -5.842 7.809 -0.149 44 HE1 TYR 6 HE2 TYR 6 -7.176 10.611 3.638 45 HE2 TYR 6 HE1 TYR 6 -7.455 6.940 1.525 46 HH TYR 6 HH TYR 6 -8.203 7.292 3.666 47 H SER 7 HN SER 7 -2.745 11.812 -0.603 48 HA SER 7 HA SER 7 -1.799 11.919 -3.329 49 HB2 SER 7 HB2 SER 7 -1.555 14.168 -1.321 50 HB3 SER 7 HB1 SER 7 -0.792 14.160 -2.912 51 HG SER 7 HG SER 7 -3.359 13.557 -3.170 52 H GLN 8 HN GLN 8 0.785 12.372 -3.068 53 HA GLN 8 HA GLN 8 1.583 9.874 -2.220 54 HB2 GLN 8 HB2 GLN 8 3.838 10.521 -2.748 55 HB3 GLN 8 HB1 GLN 8 2.725 11.211 -3.922 56 HG2 GLN 8 HG2 GLN 8 2.744 13.269 -2.593 57 HG3 GLN 8 HG1 GLN 8 4.037 12.545 -1.629 58 HE21 GLN 8 HE21 GLN 8 5.536 14.021 -2.137 59 HE22 GLN 8 HE22 GLN 8 6.276 14.149 -3.698 60 H GLU 9 HN GLU 9 2.283 12.926 -0.426 61 HA GLU 9 HA GLU 9 3.897 11.884 1.557 62 HB2 GLU 9 HB2 GLU 9 2.150 14.257 1.361 63 HB3 GLU 9 HB1 GLU 9 2.704 13.805 2.968 64 HG2 GLU 9 HG2 GLU 9 4.267 15.386 2.077 65 HG3 GLU 9 HG1 GLU 9 4.895 13.724 2.158 66 H GLU 10 HN GLU 10 0.599 11.753 1.271 67 HA GLU 10 HA GLU 10 -0.091 10.937 3.943 68 HB2 GLU 10 HB2 GLU 10 -1.542 12.037 2.169 69 HB3 GLU 10 HB1 GLU 10 -1.597 10.488 1.366 70 HG2 GLU 10 HG2 GLU 10 -2.639 11.039 4.153 71 HG3 GLU 10 HG1 GLU 10 -3.624 11.075 2.702 72 H LEU 11 HN LEU 11 0.043 9.221 0.821 73 HA LEU 11 HA LEU 11 -0.265 6.645 1.929 74 HB2 LEU 11 HB2 LEU 11 0.786 7.427 -0.791 75 HB3 LEU 11 HB1 LEU 11 0.492 5.761 -0.324 76 HG LEU 11 HG LEU 11 -1.957 6.615 0.021 77 HD11 LEU 11 HD11 LEU 11 -0.832 8.756 -1.764 78 HD12 LEU 11 HD12 LEU 11 -1.565 8.964 -0.186 79 HD13 LEU 11 HD13 LEU 11 -2.545 8.419 -1.549 80 HD21 LEU 11 HD21 LEU 11 -0.789 6.345 -2.742 81 HD22 LEU 11 HD22 LEU 11 -2.482 6.149 -2.297 82 HD23 LEU 11 HD23 LEU 11 -1.278 5.010 -1.693 83 H LYS 12 HN LYS 12 2.504 8.593 1.418 84 HA LYS 12 HA LYS 12 4.551 6.666 1.562 85 HB2 LYS 12 HB2 LYS 12 4.460 9.577 2.312 86 HB3 LYS 12 HB1 LYS 12 5.919 8.640 2.512 87 HG2 LYS 12 HG2 LYS 12 4.479 9.011 -0.110 88 HG3 LYS 12 HG1 LYS 12 5.814 10.017 0.441 89 HD2 LYS 12 HD2 LYS 12 6.019 7.019 0.101 90 HD3 LYS 12 HD1 LYS 12 6.443 8.179 -1.156 91 HE2 LYS 12 HE2 LYS 12 8.100 9.168 0.256 92 HE3 LYS 12 HE1 LYS 12 7.675 8.104 1.595 93 HZ1 LYS 12 HZ1 LYS 12 8.349 6.200 0.154 94 HZ2 LYS 12 HZ2 LYS 12 9.601 7.202 0.569 95 HZ3 LYS 12 HZ3 LYS 12 8.982 7.271 -0.991 96 H GLU 13 HN GLU 13 2.622 8.209 4.070 97 HA GLU 13 HA GLU 13 4.396 7.025 6.071 98 HB2 GLU 13 HB2 GLU 13 2.302 9.147 6.475 99 HB3 GLU 13 HB1 GLU 13 3.452 8.574 7.667 100 HG2 GLU 13 HG2 GLU 13 4.048 10.142 5.168 101 HG3 GLU 13 HG1 GLU 13 4.171 10.700 6.832 102 H MET 14 HN MET 14 1.225 6.635 4.756 103 HA MET 14 HA MET 14 0.252 5.510 7.249 104 HB2 MET 14 HB2 MET 14 -1.244 5.839 4.657 105 HB3 MET 14 HB1 MET 14 -1.941 5.355 6.199 106 HG2 MET 14 HG2 MET 14 -0.706 7.999 5.502 107 HG3 MET 14 HG1 MET 14 -2.396 7.667 5.857 108 HE1 MET 14 HE1 MET 14 -2.368 9.738 7.532 109 HE2 MET 14 HE2 MET 14 -0.662 10.006 7.177 110 HE3 MET 14 HE3 MET 14 -1.208 9.912 8.850 111 H ALA 15 HN ALA 15 -1.247 3.511 6.999 112 HA ALA 15 HA ALA 15 0.542 1.356 6.697 113 HB1 ALA 15 HB1 ALA 15 -1.293 1.360 8.327 114 HB2 ALA 15 HB2 ALA 15 -1.346 -0.062 7.285 115 HB3 ALA 15 HB3 ALA 15 -2.456 1.276 7.002 116 H LEU 16 HN LEU 16 0.921 0.045 5.140 117 HA LEU 16 HA LEU 16 -0.051 0.725 2.602 118 HB2 LEU 16 HB2 LEU 16 1.508 -1.007 1.679 119 HB3 LEU 16 HB1 LEU 16 2.234 0.303 2.570 120 HG LEU 16 HG LEU 16 1.881 -2.518 3.650 121 HD11 LEU 16 HD11 LEU 16 4.312 -1.128 2.580 122 HD12 LEU 16 HD12 LEU 16 3.401 -2.353 1.706 123 HD13 LEU 16 HD13 LEU 16 4.244 -2.776 3.201 124 HD21 LEU 16 HD21 LEU 16 3.413 -0.116 4.689 125 HD22 LEU 16 HD22 LEU 16 3.676 -1.763 5.228 126 HD23 LEU 16 HD23 LEU 16 2.126 -1.007 5.529 127 H VAL 17 HN VAL 17 -0.609 -2.184 4.576 128 HA VAL 17 HA VAL 17 -2.157 -3.454 2.641 129 HB VAL 17 HB VAL 17 -1.338 -4.524 4.744 130 HG11 VAL 17 HG11 VAL 17 -2.632 -4.342 6.818 131 HG12 VAL 17 HG12 VAL 17 -3.585 -3.047 6.092 132 HG13 VAL 17 HG13 VAL 17 -1.858 -2.824 6.363 133 HG21 VAL 17 HG21 VAL 17 -3.006 -5.658 3.407 134 HG22 VAL 17 HG22 VAL 17 -4.296 -4.797 4.246 135 HG23 VAL 17 HG23 VAL 17 -3.298 -5.960 5.120 136 H GLU 18 HN GLU 18 -2.964 -0.807 4.747 137 HA GLU 18 HA GLU 18 -5.812 -0.930 4.458 138 HB2 GLU 18 HB2 GLU 18 -4.557 0.309 6.274 139 HB3 GLU 18 HB1 GLU 18 -4.087 1.486 5.063 140 HG2 GLU 18 HG2 GLU 18 -5.910 2.381 6.311 141 HG3 GLU 18 HG1 GLU 18 -6.484 1.990 4.694 142 H ILE 19 HN ILE 19 -3.204 0.864 2.901 143 HA ILE 19 HA ILE 19 -4.596 2.338 0.990 144 HB ILE 19 HB ILE 19 -1.871 1.014 0.741 145 HG12 ILE 19 HG12 ILE 19 -2.600 3.847 1.535 146 HG13 ILE 19 HG11 ILE 19 -2.071 2.585 2.636 147 HG21 ILE 19 HG21 ILE 19 -3.015 3.269 -0.895 148 HG22 ILE 19 HG22 ILE 19 -2.780 1.617 -1.455 149 HG23 ILE 19 HG23 ILE 19 -1.380 2.615 -1.036 150 HD11 ILE 19 HD11 ILE 19 0.103 2.524 1.502 151 HD12 ILE 19 HD12 ILE 19 -0.269 4.129 2.128 152 HD13 ILE 19 HD13 ILE 19 -0.449 3.791 0.408 153 H ALA 20 HN ALA 20 -3.273 -0.915 0.830 154 HA ALA 20 HA ALA 20 -4.063 -1.558 -1.759 155 HB1 ALA 20 HB1 ALA 20 -3.716 -3.878 -1.119 156 HB2 ALA 20 HB2 ALA 20 -3.709 -3.417 0.585 157 HB3 ALA 20 HB3 ALA 20 -2.429 -2.851 -0.487 158 H HIS 21 HN HIS 21 -5.782 -1.979 1.349 159 HA HIS 21 HA HIS 21 -7.974 -3.437 0.492 160 HB2 HIS 21 HB2 HIS 21 -7.645 -2.867 2.867 161 HB3 HIS 21 HB1 HIS 21 -7.955 -1.163 2.484 162 HD1 HIS 21 HD1 HIS 21 -10.542 -0.508 1.921 163 HD2 HIS 21 HD2 HIS 21 -9.910 -4.421 3.230 164 HE1 HIS 21 HE1 HIS 21 -12.757 -1.479 2.163 165 HE2 HIS 21 HE2 HIS 21 -12.290 -3.490 3.522 166 H GLU 22 HN GLU 22 -7.559 0.040 0.487 167 HA GLU 22 HA GLU 22 -10.121 0.626 -0.488 168 HB2 GLU 22 HB2 GLU 22 -7.600 2.084 -0.338 169 HB3 GLU 22 HB1 GLU 22 -9.052 2.844 -1.000 170 HG2 GLU 22 HG2 GLU 22 -8.632 1.753 1.767 171 HG3 GLU 22 HG1 GLU 22 -8.960 3.430 1.299 172 H LEU 23 HN LEU 23 -7.139 0.019 -2.048 173 HA LEU 23 HA LEU 23 -7.739 0.944 -4.610 174 HB2 LEU 23 HB2 LEU 23 -5.550 0.335 -3.779 175 HB3 LEU 23 HB1 LEU 23 -6.047 -1.328 -3.634 176 HG LEU 23 HG LEU 23 -6.112 -1.556 -6.057 177 HD11 LEU 23 HD11 LEU 23 -6.818 0.767 -6.591 178 HD12 LEU 23 HD12 LEU 23 -5.378 0.287 -7.483 179 HD13 LEU 23 HD13 LEU 23 -5.233 1.344 -6.076 180 HD21 LEU 23 HD21 LEU 23 -4.117 -1.914 -4.782 181 HD22 LEU 23 HD22 LEU 23 -3.700 -0.216 -4.945 182 HD23 LEU 23 HD23 LEU 23 -3.717 -1.265 -6.386 183 H PHE 24 HN PHE 24 -8.219 -2.172 -3.054 184 HA PHE 24 HA PHE 24 -9.536 -3.380 -5.280 185 HB2 PHE 24 HB2 PHE 24 -9.386 -4.150 -2.372 186 HB3 PHE 24 HB1 PHE 24 -10.250 -5.100 -3.574 187 HD1 PHE 24 HD2 PHE 24 -6.900 -3.634 -2.932 188 HD2 PHE 24 HD1 PHE 24 -9.146 -6.785 -4.633 189 HE1 PHE 24 HE2 PHE 24 -4.821 -4.801 -3.475 190 HE2 PHE 24 HE1 PHE 24 -7.068 -7.971 -5.167 191 HZ PHE 24 HZ PHE 24 -4.914 -6.993 -4.604 192 H GLU 25 HN GLU 25 -10.566 -1.719 -2.381 193 HA GLU 25 HA GLU 25 -13.315 -2.174 -2.444 194 HB2 GLU 25 HB2 GLU 25 -12.040 -1.064 -0.605 195 HB3 GLU 25 HB1 GLU 25 -11.887 0.358 -1.625 196 HG2 GLU 25 HG2 GLU 25 -13.627 0.753 -0.068 197 HG3 GLU 25 HG1 GLU 25 -14.364 0.523 -1.653 198 H GLU 26 HN GLU 26 -11.416 0.426 -3.865 199 HA GLU 26 HA GLU 26 -13.526 1.795 -5.109 200 HB2 GLU 26 HB2 GLU 26 -11.298 2.726 -4.578 201 HB3 GLU 26 HB1 GLU 26 -10.585 1.689 -5.797 202 HG2 GLU 26 HG2 GLU 26 -10.809 3.971 -6.556 203 HG3 GLU 26 HG1 GLU 26 -11.773 2.867 -7.528 204 H HIS 27 HN HIS 27 -11.300 -0.692 -6.233 205 HA HIS 27 HA HIS 27 -12.145 -0.750 -8.925 206 HB2 HIS 27 HB2 HIS 27 -10.512 -2.540 -7.238 207 HB3 HIS 27 HB1 HIS 27 -11.239 -3.257 -8.666 208 HD1 HIS 27 HD1 HIS 27 -9.985 -2.958 -10.786 209 HD2 HIS 27 HD2 HIS 27 -8.825 -0.214 -7.897 210 HE1 HIS 27 HE1 HIS 27 -8.069 -1.729 -11.759 211 HE2 HIS 27 HE2 HIS 27 -7.182 -0.373 -9.915 212 H LYS 28 HN LYS 28 -13.204 -2.659 -6.127 213 HA LYS 28 HA LYS 28 -14.983 -4.027 -5.743 214 HB2 LYS 28 HB2 LYS 28 -15.999 -3.069 -8.434 215 HB3 LYS 28 HB1 LYS 28 -16.934 -4.020 -7.297 216 HG2 LYS 28 HG2 LYS 28 -17.054 -2.221 -5.752 217 HG3 LYS 28 HG1 LYS 28 -15.853 -1.288 -6.648 218 HD2 LYS 28 HD2 LYS 28 -18.547 -2.093 -7.737 219 HD3 LYS 28 HD1 LYS 28 -18.207 -0.527 -7.004 220 HE2 LYS 28 HE2 LYS 28 -16.879 -1.660 -9.490 221 HE3 LYS 28 HE1 LYS 28 -18.098 -0.400 -9.438 222 HZ1 LYS 28 HZ1 LYS 28 -16.556 1.006 -8.207 223 HZ2 LYS 28 HZ2 LYS 28 -15.898 0.557 -9.678 224 HZ3 LYS 28 HZ3 LYS 28 -15.353 -0.167 -8.273 225 H LYS 29 HN LYS 29 -12.585 -4.573 -7.352 226 HA LYS 29 HA LYS 29 -13.301 -7.158 -8.419 227 HB2 LYS 29 HB2 LYS 29 -11.978 -4.958 -9.992 228 HB3 LYS 29 HB1 LYS 29 -11.729 -6.654 -10.380 229 HG2 LYS 29 HG2 LYS 29 -14.093 -6.947 -10.698 230 HG3 LYS 29 HG1 LYS 29 -14.385 -5.258 -10.288 231 HD2 LYS 29 HD2 LYS 29 -14.437 -5.802 -12.658 232 HD3 LYS 29 HD1 LYS 29 -13.248 -4.532 -12.277 233 HE2 LYS 29 HE2 LYS 29 -11.483 -6.316 -12.362 234 HE3 LYS 29 HE1 LYS 29 -12.722 -7.475 -12.834 235 HZ1 LYS 29 HZ1 LYS 29 -11.933 -5.059 -14.366 236 HZ2 LYS 29 HZ2 LYS 29 -13.092 -6.184 -14.847 237 HZ3 LYS 29 HZ3 LYS 29 -11.466 -6.635 -14.722 238 HA PRO 30 HA PRO 30 -9.479 -8.036 -6.481 239 HB2 PRO 30 HB2 PRO 30 -8.926 -10.467 -7.512 240 HB3 PRO 30 HB1 PRO 30 -10.243 -10.177 -6.383 241 HG2 PRO 30 HG2 PRO 30 -10.356 -10.636 -9.303 242 HG3 PRO 30 HG1 PRO 30 -11.527 -11.063 -8.047 243 HD2 PRO 30 HD2 PRO 30 -11.633 -8.847 -9.776 244 HD3 PRO 30 HD1 PRO 30 -12.663 -9.105 -8.365 245 H VAL 31 HN VAL 31 -7.369 -7.745 -6.796 246 HA VAL 31 HA VAL 31 -6.448 -7.403 -9.546 247 HB VAL 31 HB VAL 31 -5.621 -5.753 -7.131 248 HG11 VAL 31 HG11 VAL 31 -5.008 -5.397 -10.051 249 HG12 VAL 31 HG12 VAL 31 -3.883 -5.902 -8.794 250 HG13 VAL 31 HG13 VAL 31 -4.563 -4.272 -8.770 251 HG21 VAL 31 HG21 VAL 31 -7.926 -5.216 -7.696 252 HG22 VAL 31 HG22 VAL 31 -7.475 -4.963 -9.382 253 HG23 VAL 31 HG23 VAL 31 -6.863 -3.878 -8.134 254 HA PRO 32 HA PRO 32 -3.359 -10.331 -8.082 255 HB2 PRO 32 HB2 PRO 32 -1.565 -9.951 -10.123 256 HB3 PRO 32 HB1 PRO 32 -2.979 -11.002 -10.254 257 HG2 PRO 32 HG2 PRO 32 -2.591 -8.209 -11.215 258 HG3 PRO 32 HG1 PRO 32 -3.412 -9.558 -12.008 259 HD2 PRO 32 HD2 PRO 32 -4.759 -7.592 -10.761 260 HD3 PRO 32 HD1 PRO 32 -5.339 -9.274 -10.784 261 H PHE 33 HN PHE 33 -1.265 -10.250 -7.248 262 HA PHE 33 HA PHE 33 -0.741 -8.173 -5.598 263 HB2 PHE 33 HB2 PHE 33 0.162 -10.456 -5.381 264 HB3 PHE 33 HB1 PHE 33 1.319 -10.099 -6.670 265 HD1 PHE 33 HD1 PHE 33 0.380 -9.508 -3.190 266 HD2 PHE 33 HD2 PHE 33 3.232 -8.692 -6.236 267 HE1 PHE 33 HE1 PHE 33 1.939 -8.655 -1.496 268 HE2 PHE 33 HE2 PHE 33 4.791 -7.836 -4.553 269 HZ PHE 33 HZ PHE 33 4.148 -7.816 -2.175 270 H GLN 34 HN GLN 34 1.171 -8.774 -8.555 271 HA GLN 34 HA GLN 34 2.666 -6.430 -8.100 272 HB2 GLN 34 HB2 GLN 34 2.623 -8.366 -10.329 273 HB3 GLN 34 HB1 GLN 34 3.306 -6.780 -10.653 274 HG2 GLN 34 HG2 GLN 34 4.185 -8.443 -8.314 275 HG3 GLN 34 HG1 GLN 34 4.901 -8.611 -9.913 276 HE21 GLN 34 HE21 GLN 34 3.891 -5.410 -8.798 277 HE22 GLN 34 HE22 GLN 34 5.481 -4.824 -8.540 278 H GLU 35 HN GLU 35 -0.306 -6.834 -9.746 279 HA GLU 35 HA GLU 35 -0.033 -4.422 -11.250 280 HB2 GLU 35 HB2 GLU 35 -2.414 -6.172 -10.696 281 HB3 GLU 35 HB1 GLU 35 -2.458 -4.754 -11.732 282 HG2 GLU 35 HG2 GLU 35 -0.758 -7.197 -12.160 283 HG3 GLU 35 HG1 GLU 35 -2.227 -6.777 -13.045 284 H LEU 36 HN LEU 36 -1.399 -5.387 -8.180 285 HA LEU 36 HA LEU 36 -2.758 -2.936 -7.801 286 HB2 LEU 36 HB2 LEU 36 -3.271 -3.677 -5.593 287 HB3 LEU 36 HB1 LEU 36 -3.269 -5.112 -6.580 288 HG LEU 36 HG LEU 36 -0.795 -5.312 -5.645 289 HD11 LEU 36 HD11 LEU 36 -2.211 -3.750 -3.502 290 HD12 LEU 36 HD12 LEU 36 -0.827 -3.214 -4.450 291 HD13 LEU 36 HD13 LEU 36 -0.657 -4.565 -3.329 292 HD21 LEU 36 HD21 LEU 36 -1.630 -6.768 -3.892 293 HD22 LEU 36 HD22 LEU 36 -2.603 -6.964 -5.355 294 HD23 LEU 36 HD23 LEU 36 -3.214 -6.014 -3.999 295 H LEU 37 HN LEU 37 0.475 -4.064 -7.040 296 HA LEU 37 HA LEU 37 1.291 -1.761 -5.631 297 HB2 LEU 37 HB2 LEU 37 2.832 -3.844 -7.132 298 HB3 LEU 37 HB1 LEU 37 3.650 -2.397 -6.597 299 HG LEU 37 HG LEU 37 4.093 -4.144 -5.066 300 HD11 LEU 37 HD11 LEU 37 3.829 -1.956 -4.071 301 HD12 LEU 37 HD12 LEU 37 3.317 -3.220 -2.957 302 HD13 LEU 37 HD13 LEU 37 2.110 -2.260 -3.808 303 HD21 LEU 37 HD21 LEU 37 2.233 -5.616 -5.490 304 HD22 LEU 37 HD22 LEU 37 1.129 -4.474 -4.727 305 HD23 LEU 37 HD23 LEU 37 2.365 -5.285 -3.763 306 H ASN 38 HN ASN 38 1.152 -2.464 -9.052 307 HA ASN 38 HA ASN 38 2.479 -0.132 -9.917 308 HB2 ASN 38 HB2 ASN 38 0.492 -1.932 -11.288 309 HB3 ASN 38 HB1 ASN 38 1.074 -0.460 -12.064 310 HD21 ASN 38 HD21 ASN 38 1.483 -3.251 -12.824 311 HD22 ASN 38 HD22 ASN 38 3.182 -3.488 -12.840 312 H GLU 39 HN GLU 39 -0.908 -0.737 -9.196 313 HA GLU 39 HA GLU 39 -1.696 1.892 -9.908 314 HB2 GLU 39 HB2 GLU 39 -3.109 -0.128 -8.186 315 HB3 GLU 39 HB1 GLU 39 -3.811 1.383 -8.752 316 HG2 GLU 39 HG2 GLU 39 -3.342 0.569 -11.092 317 HG3 GLU 39 HG1 GLU 39 -2.976 -0.991 -10.370 318 H ILE 40 HN ILE 40 -0.702 0.405 -6.880 319 HA ILE 40 HA ILE 40 -1.225 2.642 -5.265 320 HB ILE 40 HB ILE 40 0.952 0.536 -4.950 321 HG12 ILE 40 HG12 ILE 40 -1.724 0.876 -3.569 322 HG13 ILE 40 HG11 ILE 40 -1.342 -0.325 -4.794 323 HG21 ILE 40 HG21 ILE 40 0.065 2.626 -2.948 324 HG22 ILE 40 HG22 ILE 40 1.629 2.564 -3.762 325 HG23 ILE 40 HG23 ILE 40 1.182 1.300 -2.615 326 HD11 ILE 40 HD11 ILE 40 -1.352 -1.287 -2.562 327 HD12 ILE 40 HD12 ILE 40 -0.106 -0.148 -2.055 328 HD13 ILE 40 HD13 ILE 40 0.256 -1.365 -3.278 329 H ALA 41 HN ALA 41 1.606 1.753 -7.165 330 HA ALA 41 HA ALA 41 3.192 3.959 -6.489 331 HB1 ALA 41 HB1 ALA 41 3.303 2.380 -9.057 332 HB2 ALA 41 HB2 ALA 41 4.083 1.945 -7.530 333 HB3 ALA 41 HB3 ALA 41 4.575 3.407 -8.378 334 H SER 42 HN SER 42 0.626 3.691 -8.885 335 HA SER 42 HA SER 42 1.396 6.175 -9.947 336 HB2 SER 42 HB2 SER 42 -0.943 6.072 -11.086 337 HB3 SER 42 HB1 SER 42 0.291 4.903 -11.551 338 HG SER 42 HG SER 42 -0.998 3.412 -10.937 339 H LEU 43 HN LEU 43 -1.050 5.242 -7.600 340 HA LEU 43 HA LEU 43 -2.083 7.882 -7.226 341 HB2 LEU 43 HB2 LEU 43 -2.125 5.519 -5.344 342 HB3 LEU 43 HB1 LEU 43 -3.082 6.972 -5.152 343 HG LEU 43 HG LEU 43 -3.345 4.976 -7.405 344 HD11 LEU 43 HD11 LEU 43 -5.493 4.436 -6.371 345 HD12 LEU 43 HD12 LEU 43 -5.118 5.527 -5.036 346 HD13 LEU 43 HD13 LEU 43 -4.137 4.085 -5.299 347 HD21 LEU 43 HD21 LEU 43 -4.965 7.445 -6.762 348 HD22 LEU 43 HD22 LEU 43 -5.374 6.249 -7.991 349 HD23 LEU 43 HD23 LEU 43 -3.913 7.221 -8.161 350 H LEU 44 HN LEU 44 0.351 5.988 -5.617 351 HA LEU 44 HA LEU 44 1.141 8.088 -3.796 352 HB2 LEU 44 HB2 LEU 44 1.188 5.842 -2.965 353 HB3 LEU 44 HB1 LEU 44 2.011 5.264 -4.388 354 HG LEU 44 HG LEU 44 4.039 6.471 -3.633 355 HD11 LEU 44 HD11 LEU 44 2.893 8.138 -2.214 356 HD12 LEU 44 HD12 LEU 44 4.231 7.297 -1.446 357 HD13 LEU 44 HD13 LEU 44 2.583 6.843 -1.041 358 HD21 LEU 44 HD21 LEU 44 4.586 4.859 -1.879 359 HD22 LEU 44 HD22 LEU 44 3.759 4.121 -3.250 360 HD23 LEU 44 HD23 LEU 44 2.876 4.431 -1.751 361 H GLY 45 HN GLY 45 2.202 9.707 -4.794 362 HA2 GLY 45 HA2 GLY 45 3.645 9.492 -7.242 363 HA3 GLY 45 HA1 GLY 45 3.694 10.862 -6.146 364 H VAL 46 HN VAL 46 5.079 7.729 -6.839 365 HA VAL 46 HA VAL 46 7.631 8.537 -5.616 366 HB VAL 46 HB VAL 46 7.876 6.258 -4.660 367 HG11 VAL 46 HG11 VAL 46 7.290 8.037 -3.189 368 HG12 VAL 46 HG12 VAL 46 6.402 6.583 -2.718 369 HG13 VAL 46 HG13 VAL 46 5.586 7.877 -3.601 370 HG21 VAL 46 HG21 VAL 46 5.802 4.884 -4.323 371 HG22 VAL 46 HG22 VAL 46 6.318 5.019 -6.002 372 HG23 VAL 46 HG23 VAL 46 4.963 5.970 -5.443 373 H LYS 47 HN LYS 47 9.153 6.533 -6.007 374 HA LYS 47 HA LYS 47 8.992 5.679 -8.803 375 HB2 LYS 47 HB2 LYS 47 11.052 5.218 -6.642 376 HB3 LYS 47 HB1 LYS 47 11.196 4.671 -8.301 377 HG2 LYS 47 HG2 LYS 47 11.302 6.957 -9.062 378 HG3 LYS 47 HG1 LYS 47 11.083 7.534 -7.407 379 HD2 LYS 47 HD2 LYS 47 13.317 5.699 -8.205 380 HD3 LYS 47 HD1 LYS 47 13.505 7.455 -8.260 381 HE2 LYS 47 HE2 LYS 47 12.954 5.700 -5.846 382 HE3 LYS 47 HE1 LYS 47 14.420 6.604 -6.189 383 HZ1 LYS 47 HZ1 LYS 47 11.761 7.694 -5.426 384 HZ2 LYS 47 HZ2 LYS 47 13.001 8.673 -6.012 385 HZ3 LYS 47 HZ3 LYS 47 13.205 7.822 -4.581 386 H LYS 48 HN LYS 48 8.647 3.472 -9.259 387 HA LYS 48 HA LYS 48 7.517 1.981 -7.179 388 HB2 LYS 48 HB2 LYS 48 6.745 1.499 -9.434 389 HB3 LYS 48 HB1 LYS 48 8.357 0.989 -9.919 390 HG2 LYS 48 HG2 LYS 48 8.255 -0.966 -8.796 391 HG3 LYS 48 HG1 LYS 48 7.050 -0.413 -7.645 392 HD2 LYS 48 HD2 LYS 48 5.974 -2.007 -9.096 393 HD3 LYS 48 HD1 LYS 48 5.375 -0.412 -9.533 394 HE2 LYS 48 HE2 LYS 48 5.789 -1.644 -11.520 395 HE3 LYS 48 HE1 LYS 48 7.012 -0.377 -11.391 396 HZ1 LYS 48 HZ1 LYS 48 7.413 -3.223 -10.633 397 HZ2 LYS 48 HZ2 LYS 48 8.602 -1.994 -10.641 398 HZ3 LYS 48 HZ3 LYS 48 7.914 -2.519 -12.080 399 H GLU 49 HN GLU 49 10.698 2.336 -8.200 400 HA GLU 49 HA GLU 49 12.040 0.124 -7.192 401 HB2 GLU 49 HB2 GLU 49 12.825 3.040 -7.247 402 HB3 GLU 49 HB1 GLU 49 13.932 1.750 -6.829 403 HG2 GLU 49 HG2 GLU 49 14.070 2.640 -9.160 404 HG3 GLU 49 HG1 GLU 49 13.921 0.895 -9.052 405 H GLU 50 HN GLU 50 11.300 3.172 -5.456 406 HA GLU 50 HA GLU 50 12.299 2.250 -2.948 407 HB2 GLU 50 HB2 GLU 50 11.340 4.316 -2.022 408 HB3 GLU 50 HB1 GLU 50 12.198 4.656 -3.515 409 HG2 GLU 50 HG2 GLU 50 9.983 4.619 -4.677 410 HG3 GLU 50 HG1 GLU 50 9.225 4.513 -3.092 411 H LEU 51 HN LEU 51 9.244 2.263 -4.563 412 HA LEU 51 HA LEU 51 7.717 1.328 -2.369 413 HB2 LEU 51 HB2 LEU 51 6.701 2.478 -4.303 414 HB3 LEU 51 HB1 LEU 51 7.213 1.158 -5.336 415 HG LEU 51 HG LEU 51 5.748 -0.366 -4.010 416 HD11 LEU 51 HD11 LEU 51 5.559 0.894 -1.966 417 HD12 LEU 51 HD12 LEU 51 3.962 0.614 -2.659 418 HD13 LEU 51 HD13 LEU 51 4.727 2.195 -2.816 419 HD21 LEU 51 HD21 LEU 51 4.407 1.948 -5.385 420 HD22 LEU 51 HD22 LEU 51 3.672 0.377 -5.071 421 HD23 LEU 51 HD23 LEU 51 5.054 0.503 -6.161 422 H GLY 52 HN GLY 52 9.965 -0.038 -4.531 423 HA2 GLY 52 HA2 GLY 52 9.062 -2.718 -4.657 424 HA3 GLY 52 HA1 GLY 52 10.683 -2.132 -5.019 425 H ASP 53 HN ASP 53 11.514 -1.066 -2.752 426 HA ASP 53 HA ASP 53 12.054 -3.231 -1.023 427 HB2 ASP 53 HB2 ASP 53 12.205 -0.250 -0.559 428 HB3 ASP 53 HB1 ASP 53 12.563 -1.392 0.729 429 H ARG 54 HN ARG 54 9.641 -0.756 -0.976 430 HA ARG 54 HA ARG 54 8.455 -1.645 1.426 431 HB2 ARG 54 HB2 ARG 54 8.251 0.668 0.299 432 HB3 ARG 54 HB1 ARG 54 6.971 -0.069 -0.656 433 HG2 ARG 54 HG2 ARG 54 5.720 -0.578 1.316 434 HG3 ARG 54 HG1 ARG 54 7.015 0.014 2.353 435 HD2 ARG 54 HD2 ARG 54 6.714 2.246 1.185 436 HD3 ARG 54 HD1 ARG 54 5.219 1.583 0.513 437 HE ARG 54 HE ARG 54 5.560 1.394 3.373 438 HH11 ARG 54 HH11 ARG 54 4.071 3.242 0.755 439 HH12 ARG 54 HH12 ARG 54 2.991 4.093 1.784 440 HH21 ARG 54 HH21 ARG 54 4.101 2.570 4.762 441 HH22 ARG 54 HH22 ARG 54 2.972 3.640 4.122 442 H ILE 55 HN ILE 55 8.333 -2.922 -1.753 443 HA ILE 55 HA ILE 55 5.811 -4.266 -1.584 444 HB ILE 55 HB ILE 55 8.230 -4.799 -3.362 445 HG12 ILE 55 HG12 ILE 55 5.545 -3.548 -3.948 446 HG13 ILE 55 HG11 ILE 55 7.081 -2.722 -3.862 447 HG21 ILE 55 HG21 ILE 55 7.044 -6.896 -3.068 448 HG22 ILE 55 HG22 ILE 55 6.804 -6.288 -4.708 449 HG23 ILE 55 HG23 ILE 55 5.523 -6.116 -3.504 450 HD11 ILE 55 HD11 ILE 55 6.310 -4.772 -5.928 451 HD12 ILE 55 HD12 ILE 55 7.870 -3.964 -5.832 452 HD13 ILE 55 HD13 ILE 55 6.413 -3.029 -6.172 453 H ALA 56 HN ALA 56 9.135 -4.998 -0.845 454 HA ALA 56 HA ALA 56 8.736 -7.660 -0.006 455 HB1 ALA 56 HB1 ALA 56 10.735 -5.606 0.979 456 HB2 ALA 56 HB2 ALA 56 10.975 -6.719 -0.365 457 HB3 ALA 56 HB3 ALA 56 10.844 -7.339 1.277 458 H GLN 57 HN GLN 57 8.582 -4.559 1.674 459 HA GLN 57 HA GLN 57 7.773 -5.476 4.202 460 HB2 GLN 57 HB2 GLN 57 8.506 -3.143 3.759 461 HB3 GLN 57 HB1 GLN 57 7.035 -2.874 2.845 462 HG2 GLN 57 HG2 GLN 57 6.870 -1.912 5.073 463 HG3 GLN 57 HG1 GLN 57 5.697 -3.210 4.860 464 HE21 GLN 57 HE21 GLN 57 5.975 -5.124 6.007 465 HE22 GLN 57 HE22 GLN 57 7.099 -5.226 7.336 466 H PHE 58 HN PHE 58 6.017 -4.731 1.299 467 HA PHE 58 HA PHE 58 3.442 -4.902 2.385 468 HB2 PHE 58 HB2 PHE 58 4.045 -3.753 0.231 469 HB3 PHE 58 HB1 PHE 58 4.245 -5.343 -0.487 470 HD1 PHE 58 HD2 PHE 58 1.698 -3.476 1.505 471 HD2 PHE 58 HD1 PHE 58 2.503 -6.154 -1.690 472 HE1 PHE 58 HE2 PHE 58 -0.687 -3.532 0.963 473 HE2 PHE 58 HE1 PHE 58 0.123 -6.218 -2.236 474 HZ PHE 58 HZ PHE 58 -1.481 -4.907 -0.913 475 H TYR 59 HN TYR 59 5.559 -7.292 0.876 476 HA TYR 59 HA TYR 59 3.750 -9.408 0.887 477 HB2 TYR 59 HB2 TYR 59 6.712 -9.260 0.977 478 HB3 TYR 59 HB1 TYR 59 5.988 -10.768 1.517 479 HD1 TYR 59 HD1 TYR 59 4.150 -11.727 -0.088 480 HD2 TYR 59 HD2 TYR 59 7.220 -9.040 -1.290 481 HE1 TYR 59 HE1 TYR 59 3.911 -12.511 -2.398 482 HE2 TYR 59 HE2 TYR 59 6.984 -9.820 -3.618 483 HH TYR 59 HH TYR 59 6.168 -11.855 -4.773 484 H THR 60 HN THR 60 5.824 -8.227 3.477 485 HA THR 60 HA THR 60 4.976 -10.136 5.374 486 HB THR 60 HB THR 60 6.022 -7.340 5.875 487 HG1 THR 60 HG1 THR 60 7.987 -8.099 5.389 488 HG21 THR 60 HG21 THR 60 6.933 -8.333 7.927 489 HG22 THR 60 HG22 THR 60 6.232 -9.894 7.499 490 HG23 THR 60 HG23 THR 60 5.181 -8.526 7.876 491 H ASP 61 HN ASP 61 3.959 -6.784 4.782 492 HA ASP 61 HA ASP 61 2.170 -6.535 6.960 493 HB2 ASP 61 HB2 ASP 61 3.355 -4.688 5.681 494 HB3 ASP 61 HB1 ASP 61 2.165 -4.916 4.409 495 H LEU 62 HN LEU 62 1.667 -7.307 3.559 496 HA LEU 62 HA LEU 62 -1.171 -7.422 3.748 497 HB2 LEU 62 HB2 LEU 62 0.018 -6.935 1.643 498 HB3 LEU 62 HB1 LEU 62 0.686 -8.547 1.657 499 HG LEU 62 HG LEU 62 -1.604 -9.465 1.425 500 HD11 LEU 62 HD11 LEU 62 -2.365 -6.572 1.087 501 HD12 LEU 62 HD12 LEU 62 -2.874 -7.648 2.391 502 HD13 LEU 62 HD13 LEU 62 -3.403 -7.952 0.739 503 HD21 LEU 62 HD21 LEU 62 -0.758 -7.495 -0.685 504 HD22 LEU 62 HD22 LEU 62 -1.867 -8.849 -0.921 505 HD23 LEU 62 HD23 LEU 62 -0.179 -9.152 -0.516 506 H ASN 63 HN ASN 63 1.452 -9.731 4.110 507 HA ASN 63 HA ASN 63 -0.128 -12.078 3.923 508 HB2 ASN 63 HB2 ASN 63 2.352 -12.031 3.698 509 HB3 ASN 63 HB1 ASN 63 2.465 -11.724 5.424 510 HD21 ASN 63 HD21 ASN 63 1.664 -14.026 2.972 511 HD22 ASN 63 HD22 ASN 63 1.707 -15.416 3.975 512 H ILE 64 HN ILE 64 0.870 -10.080 6.668 513 HA ILE 64 HA ILE 64 -0.570 -11.741 8.534 514 HB ILE 64 HB ILE 64 -0.042 -9.997 10.216 515 HG12 ILE 64 HG12 ILE 64 1.202 -8.519 7.873 516 HG13 ILE 64 HG11 ILE 64 -0.193 -8.001 8.807 517 HG21 ILE 64 HG21 ILE 64 2.410 -10.246 10.165 518 HG22 ILE 64 HG22 ILE 64 2.304 -10.789 8.493 519 HG23 ILE 64 HG23 ILE 64 1.584 -11.758 9.781 520 HD11 ILE 64 HD11 ILE 64 2.639 -8.240 9.805 521 HD12 ILE 64 HD12 ILE 64 1.258 -7.776 10.787 522 HD13 ILE 64 HD13 ILE 64 1.773 -6.745 9.448 523 H ASP 65 HN ASP 65 -1.204 -9.281 6.451 524 HA ASP 65 HA ASP 65 -2.885 -8.161 5.682 525 HB2 ASP 65 HB2 ASP 65 -4.973 -9.181 5.362 526 HB3 ASP 65 HB1 ASP 65 -3.840 -10.509 5.492 527 H GLY 66 HN GLY 66 -4.799 -6.999 5.940 528 HA2 GLY 66 HA2 GLY 66 -5.372 -6.134 8.664 529 HA3 GLY 66 HA1 GLY 66 -5.026 -4.942 7.374 530 H ARG 67 HN ARG 67 -6.876 -7.857 7.855 531 HA ARG 67 HA ARG 67 -9.017 -8.467 7.632 532 HB2 ARG 67 HB2 ARG 67 -10.813 -6.938 7.755 533 HB3 ARG 67 HB1 ARG 67 -9.513 -5.989 8.434 534 HG2 ARG 67 HG2 ARG 67 -9.257 -5.053 6.032 535 HG3 ARG 67 HG1 ARG 67 -10.870 -5.714 5.777 536 HD2 ARG 67 HD2 ARG 67 -11.121 -3.438 6.423 537 HD3 ARG 67 HD1 ARG 67 -11.606 -4.431 7.799 538 HE ARG 67 HE ARG 67 -9.530 -3.927 8.851 539 HH11 ARG 67 HH11 ARG 67 -10.402 -1.823 6.138 540 HH12 ARG 67 HH12 ARG 67 -9.095 -0.747 6.372 541 HH21 ARG 67 HH21 ARG 67 -7.824 -2.367 9.253 542 HH22 ARG 67 HH22 ARG 67 -7.686 -1.014 8.189 543 H PHE 68 HN PHE 68 -7.030 -8.487 5.716 544 HA PHE 68 HA PHE 68 -8.333 -8.093 3.109 545 HB2 PHE 68 HB2 PHE 68 -5.745 -7.659 4.021 546 HB3 PHE 68 HB1 PHE 68 -5.621 -9.143 3.075 547 HD1 PHE 68 HD1 PHE 68 -6.228 -9.111 0.669 548 HD2 PHE 68 HD2 PHE 68 -6.096 -5.593 3.033 549 HE1 PHE 68 HE1 PHE 68 -6.146 -7.734 -1.380 550 HE2 PHE 68 HE2 PHE 68 -6.015 -4.228 1.011 551 HZ PHE 68 HZ PHE 68 -6.036 -5.285 -1.195 552 H LEU 69 HN LEU 69 -7.647 -9.918 1.468 553 HA LEU 69 HA LEU 69 -7.690 -12.571 2.620 554 HB2 LEU 69 HB2 LEU 69 -10.011 -11.964 2.653 555 HB3 LEU 69 HB1 LEU 69 -9.920 -11.364 1.013 556 HG LEU 69 HG LEU 69 -9.586 -13.668 0.218 557 HD11 LEU 69 HD11 LEU 69 -10.011 -14.390 3.109 558 HD12 LEU 69 HD12 LEU 69 -8.541 -14.642 2.168 559 HD13 LEU 69 HD13 LEU 69 -10.011 -15.526 1.763 560 HD21 LEU 69 HD21 LEU 69 -12.006 -13.286 1.962 561 HD22 LEU 69 HD22 LEU 69 -11.859 -14.377 0.577 562 HD23 LEU 69 HD23 LEU 69 -11.799 -12.633 0.338 563 H ALA 70 HN ALA 70 -6.645 -13.971 1.245 564 HA ALA 70 HA ALA 70 -6.131 -13.116 -1.484 565 HB1 ALA 70 HB1 ALA 70 -4.569 -14.971 -1.617 566 HB2 ALA 70 HB2 ALA 70 -5.154 -15.617 -0.108 567 HB3 ALA 70 HB3 ALA 70 -4.234 -14.104 -0.111 568 H LEU 71 HN LEU 71 -7.285 -13.973 -3.107 569 HA LEU 71 HA LEU 71 -9.650 -15.315 -2.283 570 HB2 LEU 71 HB2 LEU 71 -8.813 -14.509 -5.044 571 HB3 LEU 71 HB1 LEU 71 -10.412 -15.050 -4.564 572 HG LEU 71 HG LEU 71 -9.011 -12.536 -3.697 573 HD11 LEU 71 HD11 LEU 71 -11.320 -13.061 -5.533 574 HD12 LEU 71 HD12 LEU 71 -9.706 -12.482 -5.962 575 HD13 LEU 71 HD13 LEU 71 -10.784 -11.473 -4.980 576 HD21 LEU 71 HD21 LEU 71 -11.783 -13.530 -3.052 577 HD22 LEU 71 HD22 LEU 71 -11.131 -11.937 -2.668 578 HD23 LEU 71 HD23 LEU 71 -10.445 -13.371 -1.907 579 H SER 72 HN SER 72 -8.045 -16.266 -5.315 580 HA SER 72 HA SER 72 -8.829 -18.938 -4.479 581 HB2 SER 72 HB2 SER 72 -9.946 -18.001 -6.462 582 HB3 SER 72 HB1 SER 72 -8.385 -17.925 -7.270 583 HG SER 72 HG SER 72 -8.341 -20.033 -7.475 584 H ASP 73 HN ASP 73 -6.236 -17.597 -6.575 585 HA ASP 73 HA ASP 73 -4.656 -19.837 -5.496 586 HB2 ASP 73 HB2 ASP 73 -4.625 -18.807 -8.325 587 HB3 ASP 73 HB1 ASP 73 -3.640 -20.116 -7.693 588 H GLN 74 HN GLN 74 -4.710 -16.467 -6.146 589 HA GLN 74 HA GLN 74 -2.138 -16.049 -4.932 590 HB2 GLN 74 HB2 GLN 74 -2.361 -15.173 -7.848 591 HB3 GLN 74 HB1 GLN 74 -1.055 -14.791 -6.757 592 HG2 GLN 74 HG2 GLN 74 -0.006 -16.437 -7.848 593 HG3 GLN 74 HG1 GLN 74 -0.918 -17.493 -6.776 594 HE21 GLN 74 HE21 GLN 74 -3.427 -16.767 -8.231 595 HE22 GLN 74 HE22 GLN 74 -3.403 -17.713 -9.661 596 H THR 75 HN THR 75 -4.591 -14.689 -7.121 597 HA THR 75 HA THR 75 -4.262 -12.033 -6.714 598 HB THR 75 HB THR 75 -6.893 -13.410 -7.144 599 HG1 THR 75 HG1 THR 75 -4.902 -13.030 -9.160 600 HG21 THR 75 HG21 THR 75 -6.813 -10.933 -7.151 601 HG22 THR 75 HG22 THR 75 -7.214 -11.579 -8.745 602 HG23 THR 75 HG23 THR 75 -5.587 -10.989 -8.417 603 H TRP 76 HN TRP 76 -4.926 -10.666 -5.155 604 HA TRP 76 HA TRP 76 -6.186 -11.830 -2.834 605 HB2 TRP 76 HB2 TRP 76 -4.757 -9.177 -3.224 606 HB3 TRP 76 HB1 TRP 76 -5.533 -9.679 -1.726 607 HD1 TRP 76 HD1 TRP 76 -2.567 -10.734 -3.999 608 HE1 TRP 76 HE1 TRP 76 -0.822 -11.918 -2.547 609 HE3 TRP 76 HE3 TRP 76 -5.101 -10.787 0.452 610 HZ2 TRP 76 HZ2 TRP 76 -0.533 -12.778 0.194 611 HZ3 TRP 76 HZ3 TRP 76 -4.018 -11.786 2.415 612 HH2 TRP 76 HH2 TRP 76 -1.787 -12.756 2.277 613 H GLY 77 HN GLY 77 -7.753 -10.295 -1.743 614 HA2 GLY 77 HA2 GLY 77 -9.196 -8.526 -3.409 615 HA3 GLY 77 HA1 GLY 77 -10.009 -10.081 -3.214 616 H LEU 78 HN LEU 78 -11.611 -8.741 -2.194 617 HA LEU 78 HA LEU 78 -10.792 -7.995 0.488 618 HB2 LEU 78 HB2 LEU 78 -13.173 -7.025 -1.045 619 HB3 LEU 78 HB1 LEU 78 -12.833 -6.615 0.620 620 HG LEU 78 HG LEU 78 -11.285 -5.806 -1.826 621 HD11 LEU 78 HD11 LEU 78 -12.763 -4.224 0.260 622 HD12 LEU 78 HD12 LEU 78 -13.283 -4.526 -1.398 623 HD13 LEU 78 HD13 LEU 78 -11.844 -3.553 -1.087 624 HD21 LEU 78 HD21 LEU 78 -10.574 -5.367 1.077 625 HD22 LEU 78 HD22 LEU 78 -9.797 -4.575 -0.287 626 HD23 LEU 78 HD23 LEU 78 -9.659 -6.321 -0.095 627 H ARG 79 HN ARG 79 -11.549 -8.763 2.096 628 HA ARG 79 HA ARG 79 -12.889 -11.279 2.180 629 HB2 ARG 79 HB2 ARG 79 -10.928 -10.391 3.483 630 HB3 ARG 79 HB1 ARG 79 -12.021 -9.303 4.269 631 HG2 ARG 79 HG2 ARG 79 -13.050 -11.087 5.467 632 HG3 ARG 79 HG1 ARG 79 -12.144 -12.296 4.526 633 HD2 ARG 79 HD2 ARG 79 -10.051 -11.373 5.269 634 HD3 ARG 79 HD1 ARG 79 -10.872 -10.099 6.145 635 HE ARG 79 HE ARG 79 -11.744 -12.469 7.220 636 HH11 ARG 79 HH11 ARG 79 -8.561 -10.946 6.687 637 HH12 ARG 79 HH12 ARG 79 -7.911 -11.419 8.172 638 HH21 ARG 79 HH21 ARG 79 -10.816 -13.160 9.292 639 HH22 ARG 79 HH22 ARG 79 -9.228 -12.713 9.707 640 H SER 80 HN SER 80 -13.819 -8.106 2.011 641 HA SER 80 HA SER 80 -16.171 -8.183 3.653 642 HB2 SER 80 HB2 SER 80 -15.216 -6.075 1.735 643 HB3 SER 80 HB1 SER 80 -16.341 -5.873 3.081 644 HG SER 80 HG SER 80 -14.704 -5.933 4.496 645 H TRP 81 HN TRP 81 -15.303 -8.697 0.265 646 HA TRP 81 HA TRP 81 -17.951 -8.178 -0.784 647 HB2 TRP 81 HB2 TRP 81 -15.684 -9.745 -2.029 648 HB3 TRP 81 HB1 TRP 81 -17.160 -9.267 -2.844 649 HD1 TRP 81 HD1 TRP 81 -17.166 -6.184 -1.953 650 HE1 TRP 81 HE1 TRP 81 -15.432 -4.622 -3.029 651 HE3 TRP 81 HE3 TRP 81 -13.757 -9.673 -3.450 652 HZ2 TRP 81 HZ2 TRP 81 -12.952 -4.837 -4.342 653 HZ3 TRP 81 HZ3 TRP 81 -11.732 -8.909 -4.623 654 HH2 TRP 81 HH2 TRP 81 -11.347 -6.544 -5.061 655 H TYR 82 HN TYR 82 -15.986 -11.008 -0.160 656 HA TYR 82 HA TYR 82 -18.379 -12.590 0.105 657 HB2 TYR 82 HB2 TYR 82 -16.275 -14.258 -0.861 658 HB3 TYR 82 HB1 TYR 82 -17.817 -13.952 -1.624 659 HD1 TYR 82 HD1 TYR 82 -14.380 -12.565 -1.315 660 HD2 TYR 82 HD2 TYR 82 -17.844 -12.943 -3.726 661 HE1 TYR 82 HE1 TYR 82 -13.159 -11.597 -3.160 662 HE2 TYR 82 HE2 TYR 82 -16.645 -11.954 -5.633 663 HH TYR 82 HH TYR 82 -13.284 -11.596 -5.657 Start of MODEL 15 1 H1 GLY 2 HT1 GLY 2 -11.418 6.260 -2.814 2 H2 GLY 2 HT2 GLY 2 -11.455 7.953 -2.918 3 H3 GLY 2 HT3 GLY 2 -12.136 7.178 -1.601 4 HA2 GLY 2 HA1 GLY 2 -9.959 8.228 -1.159 5 HA3 GLY 2 HA2 GLY 2 -10.008 6.469 -0.823 6 H ILE 3 HN ILE 3 -7.864 8.338 -1.546 7 HA ILE 3 HA ILE 3 -5.847 7.791 -2.217 8 HB ILE 3 HB ILE 3 -7.234 5.238 -2.650 9 HG12 ILE 3 HG12 ILE 3 -5.416 4.343 -1.244 10 HG13 ILE 3 HG11 ILE 3 -4.646 5.923 -1.240 11 HG21 ILE 3 HG21 ILE 3 -6.112 5.260 -4.677 12 HG22 ILE 3 HG22 ILE 3 -5.359 4.083 -3.594 13 HG23 ILE 3 HG23 ILE 3 -4.564 5.644 -3.908 14 HD11 ILE 3 HD11 ILE 3 -6.598 6.825 -0.052 15 HD12 ILE 3 HD12 ILE 3 -5.832 5.504 0.829 16 HD13 ILE 3 HD13 ILE 3 -7.331 5.222 -0.062 17 H LYS 4 HN LYS 4 -8.216 7.386 -4.869 18 HA LYS 4 HA LYS 4 -6.072 7.641 -6.737 19 HB2 LYS 4 HB2 LYS 4 -7.603 7.492 -8.574 20 HB3 LYS 4 HB1 LYS 4 -7.926 6.237 -7.394 21 HG2 LYS 4 HG2 LYS 4 -9.888 7.455 -6.639 22 HG3 LYS 4 HG1 LYS 4 -9.515 8.772 -7.764 23 HD2 LYS 4 HD2 LYS 4 -9.674 7.188 -9.646 24 HD3 LYS 4 HD1 LYS 4 -10.093 5.907 -8.518 25 HE2 LYS 4 HE2 LYS 4 -11.688 8.403 -9.077 26 HE3 LYS 4 HE1 LYS 4 -12.080 6.770 -9.610 27 HZ1 LYS 4 HZ1 LYS 4 -13.375 7.117 -7.729 28 HZ2 LYS 4 HZ2 LYS 4 -12.171 7.916 -6.918 29 HZ3 LYS 4 HZ3 LYS 4 -12.055 6.238 -7.107 30 H GLN 5 HN GLN 5 -7.413 10.047 -5.094 31 HA GLN 5 HA GLN 5 -6.310 11.850 -7.107 32 HB2 GLN 5 HB2 GLN 5 -8.018 13.583 -6.472 33 HB3 GLN 5 HB1 GLN 5 -8.642 12.212 -7.370 34 HG2 GLN 5 HG2 GLN 5 -9.525 11.259 -5.398 35 HG3 GLN 5 HG1 GLN 5 -8.865 12.527 -4.371 36 HE21 GLN 5 HE21 GLN 5 -11.536 11.676 -4.722 37 HE22 GLN 5 HE22 GLN 5 -12.467 13.045 -5.213 38 H TYR 6 HN TYR 6 -5.307 10.608 -4.649 39 HA TYR 6 HA TYR 6 -4.872 12.995 -3.023 40 HB2 TYR 6 HB2 TYR 6 -4.214 10.101 -2.467 41 HB3 TYR 6 HB1 TYR 6 -3.686 11.426 -1.444 42 HD1 TYR 6 HD2 TYR 6 -6.509 12.873 -1.967 43 HD2 TYR 6 HD1 TYR 6 -5.275 9.085 -0.529 44 HE1 TYR 6 HE2 TYR 6 -8.625 12.672 -0.736 45 HE2 TYR 6 HE1 TYR 6 -7.379 8.853 0.720 46 HH TYR 6 HH TYR 6 -10.008 10.660 0.026 47 H SER 7 HN SER 7 -2.806 13.556 -2.387 48 HA SER 7 HA SER 7 -0.877 13.211 -4.545 49 HB2 SER 7 HB2 SER 7 -0.835 15.064 -2.147 50 HB3 SER 7 HB1 SER 7 0.268 15.119 -3.531 51 HG SER 7 HG SER 7 -2.536 15.319 -3.821 52 H GLN 8 HN GLN 8 1.532 13.066 -3.683 53 HA GLN 8 HA GLN 8 1.743 10.482 -2.672 54 HB2 GLN 8 HB2 GLN 8 4.154 10.800 -2.631 55 HB3 GLN 8 HB1 GLN 8 3.459 11.460 -4.102 56 HG2 GLN 8 HG2 GLN 8 3.552 13.657 -3.179 57 HG3 GLN 8 HG1 GLN 8 4.226 13.040 -1.678 58 HE21 GLN 8 HE21 GLN 8 6.116 14.001 -1.714 59 HE22 GLN 8 HE22 GLN 8 7.361 13.753 -2.899 60 H GLU 9 HN GLU 9 2.235 13.530 -0.926 61 HA GLU 9 HA GLU 9 3.134 12.386 1.492 62 HB2 GLU 9 HB2 GLU 9 1.903 15.015 0.783 63 HB3 GLU 9 HB1 GLU 9 2.021 14.569 2.470 64 HG2 GLU 9 HG2 GLU 9 3.923 15.924 1.846 65 HG3 GLU 9 HG1 GLU 9 4.382 14.266 2.241 66 H GLU 10 HN GLU 10 0.103 13.442 0.447 67 HA GLU 10 HA GLU 10 -1.604 12.903 2.550 68 HB2 GLU 10 HB2 GLU 10 -1.990 14.177 0.403 69 HB3 GLU 10 HB1 GLU 10 -2.069 12.630 -0.401 70 HG2 GLU 10 HG2 GLU 10 -4.166 12.181 0.562 71 HG3 GLU 10 HG1 GLU 10 -3.953 13.431 1.798 72 H LEU 11 HN LEU 11 -0.609 10.826 -0.108 73 HA LEU 11 HA LEU 11 -2.076 8.512 0.635 74 HB2 LEU 11 HB2 LEU 11 0.238 8.951 -1.208 75 HB3 LEU 11 HB1 LEU 11 -0.540 7.391 -1.007 76 HG LEU 11 HG LEU 11 -2.123 9.816 -1.799 77 HD11 LEU 11 HD11 LEU 11 -0.304 9.610 -3.392 78 HD12 LEU 11 HD12 LEU 11 -1.837 9.131 -4.118 79 HD13 LEU 11 HD13 LEU 11 -0.676 7.901 -3.616 80 HD21 LEU 11 HD21 LEU 11 -2.485 6.850 -2.179 81 HD22 LEU 11 HD22 LEU 11 -3.575 8.093 -2.776 82 HD23 LEU 11 HD23 LEU 11 -3.361 7.870 -1.039 83 H LYS 12 HN LYS 12 1.255 9.543 1.300 84 HA LYS 12 HA LYS 12 2.057 6.957 2.278 85 HB2 LYS 12 HB2 LYS 12 4.199 7.972 2.829 86 HB3 LYS 12 HB1 LYS 12 3.690 8.493 1.230 87 HG2 LYS 12 HG2 LYS 12 2.873 10.591 2.223 88 HG3 LYS 12 HG1 LYS 12 3.501 10.081 3.776 89 HD2 LYS 12 HD2 LYS 12 5.048 11.629 2.709 90 HD3 LYS 12 HD1 LYS 12 5.775 10.030 2.836 91 HE2 LYS 12 HE2 LYS 12 5.398 9.597 0.512 92 HE3 LYS 12 HE1 LYS 12 4.392 11.032 0.347 93 HZ1 LYS 12 HZ1 LYS 12 7.261 11.085 1.057 94 HZ2 LYS 12 HZ2 LYS 12 6.260 12.419 0.618 95 HZ3 LYS 12 HZ3 LYS 12 6.672 11.262 -0.511 96 H GLU 13 HN GLU 13 0.149 9.256 3.643 97 HA GLU 13 HA GLU 13 1.076 8.881 6.351 98 HB2 GLU 13 HB2 GLU 13 -1.376 10.277 5.269 99 HB3 GLU 13 HB1 GLU 13 -0.892 10.268 6.963 100 HG2 GLU 13 HG2 GLU 13 1.218 11.365 6.355 101 HG3 GLU 13 HG1 GLU 13 0.700 11.387 4.675 102 H MET 14 HN MET 14 -0.599 7.135 4.205 103 HA MET 14 HA MET 14 -2.108 5.628 6.216 104 HB2 MET 14 HB2 MET 14 -2.296 5.712 3.192 105 HB3 MET 14 HB1 MET 14 -3.198 4.594 4.195 106 HG2 MET 14 HG2 MET 14 -3.430 7.587 4.403 107 HG3 MET 14 HG1 MET 14 -4.462 6.598 3.376 108 HE1 MET 14 HE1 MET 14 -6.255 4.901 4.255 109 HE2 MET 14 HE2 MET 14 -6.457 4.460 5.948 110 HE3 MET 14 HE3 MET 14 -4.990 3.998 5.089 111 H ALA 15 HN ALA 15 -1.476 3.482 6.488 112 HA ALA 15 HA ALA 15 1.125 2.803 5.525 113 HB1 ALA 15 HB1 ALA 15 -0.871 1.035 6.962 114 HB2 ALA 15 HB2 ALA 15 0.328 2.065 7.739 115 HB3 ALA 15 HB3 ALA 15 0.850 0.707 6.747 116 H LEU 16 HN LEU 16 1.598 0.872 4.256 117 HA LEU 16 HA LEU 16 0.183 1.115 1.882 118 HB2 LEU 16 HB2 LEU 16 1.636 -0.676 0.911 119 HB3 LEU 16 HB1 LEU 16 2.461 0.711 1.568 120 HG LEU 16 HG LEU 16 2.288 -1.961 3.005 121 HD11 LEU 16 HD11 LEU 16 4.472 -0.849 1.241 122 HD12 LEU 16 HD12 LEU 16 3.410 -2.194 0.834 123 HD13 LEU 16 HD13 LEU 16 4.555 -2.347 2.169 124 HD21 LEU 16 HD21 LEU 16 4.297 -1.101 4.177 125 HD22 LEU 16 HD22 LEU 16 2.884 -0.126 4.510 126 HD23 LEU 16 HD23 LEU 16 4.101 0.447 3.360 127 H VAL 17 HN VAL 17 -0.194 -1.369 4.301 128 HA VAL 17 HA VAL 17 -1.874 -2.966 2.611 129 HB VAL 17 HB VAL 17 -0.726 -3.841 4.713 130 HG11 VAL 17 HG11 VAL 17 -2.989 -2.484 6.153 131 HG12 VAL 17 HG12 VAL 17 -1.295 -2.034 6.244 132 HG13 VAL 17 HG13 VAL 17 -1.824 -3.598 6.871 133 HG21 VAL 17 HG21 VAL 17 -2.545 -5.373 5.334 134 HG22 VAL 17 HG22 VAL 17 -2.406 -5.167 3.587 135 HG23 VAL 17 HG23 VAL 17 -3.687 -4.341 4.472 136 H GLU 18 HN GLU 18 -2.334 -0.211 4.604 137 HA GLU 18 HA GLU 18 -5.169 -0.331 4.855 138 HB2 GLU 18 HB2 GLU 18 -3.342 2.070 5.030 139 HB3 GLU 18 HB1 GLU 18 -4.962 1.927 5.695 140 HG2 GLU 18 HG2 GLU 18 -2.662 0.215 6.558 141 HG3 GLU 18 HG1 GLU 18 -3.081 1.723 7.361 142 H ILE 19 HN ILE 19 -2.860 1.326 2.778 143 HA ILE 19 HA ILE 19 -4.618 2.764 1.120 144 HB ILE 19 HB ILE 19 -1.946 1.503 0.376 145 HG12 ILE 19 HG12 ILE 19 -2.582 4.319 1.292 146 HG13 ILE 19 HG11 ILE 19 -1.815 3.079 2.278 147 HG21 ILE 19 HG21 ILE 19 -3.454 3.726 -1.008 148 HG22 ILE 19 HG22 ILE 19 -3.254 2.086 -1.615 149 HG23 ILE 19 HG23 ILE 19 -1.848 3.141 -1.443 150 HD11 ILE 19 HD11 ILE 19 0.099 3.061 0.749 151 HD12 ILE 19 HD12 ILE 19 -0.185 4.665 1.425 152 HD13 ILE 19 HD13 ILE 19 -0.679 4.306 -0.229 153 H ALA 20 HN ALA 20 -3.272 -0.505 0.799 154 HA ALA 20 HA ALA 20 -4.551 -1.196 -1.593 155 HB1 ALA 20 HB1 ALA 20 -2.638 -2.430 -0.654 156 HB2 ALA 20 HB2 ALA 20 -3.985 -3.497 -1.038 157 HB3 ALA 20 HB3 ALA 20 -3.677 -3.035 0.638 158 H HIS 21 HN HIS 21 -5.557 -1.560 1.769 159 HA HIS 21 HA HIS 21 -7.936 -2.955 1.475 160 HB2 HIS 21 HB2 HIS 21 -7.046 -2.414 3.670 161 HB3 HIS 21 HB1 HIS 21 -7.248 -0.689 3.347 162 HD1 HIS 21 HD1 HIS 21 -9.584 0.343 3.836 163 HD2 HIS 21 HD2 HIS 21 -9.444 -3.804 4.287 164 HE1 HIS 21 HE1 HIS 21 -11.720 -0.292 4.923 165 HE2 HIS 21 HE2 HIS 21 -11.590 -2.760 5.297 166 H GLU 22 HN GLU 22 -7.430 0.553 1.335 167 HA GLU 22 HA GLU 22 -10.082 1.310 0.767 168 HB2 GLU 22 HB2 GLU 22 -7.530 2.697 -0.047 169 HB3 GLU 22 HB1 GLU 22 -9.119 3.437 0.074 170 HG2 GLU 22 HG2 GLU 22 -7.467 2.343 2.339 171 HG3 GLU 22 HG1 GLU 22 -7.781 4.039 1.985 172 H LEU 23 HN LEU 23 -7.340 0.539 -1.206 173 HA LEU 23 HA LEU 23 -8.174 1.222 -3.747 174 HB2 LEU 23 HB2 LEU 23 -5.907 0.511 -2.948 175 HB3 LEU 23 HB1 LEU 23 -6.482 -1.133 -2.931 176 HG LEU 23 HG LEU 23 -6.643 -1.129 -5.391 177 HD11 LEU 23 HD11 LEU 23 -5.665 1.719 -5.098 178 HD12 LEU 23 HD12 LEU 23 -7.278 1.248 -5.645 179 HD13 LEU 23 HD13 LEU 23 -5.864 0.839 -6.610 180 HD21 LEU 23 HD21 LEU 23 -4.293 -0.910 -5.846 181 HD22 LEU 23 HD22 LEU 23 -4.543 -1.664 -4.262 182 HD23 LEU 23 HD23 LEU 23 -4.077 0.031 -4.369 183 H PHE 24 HN PHE 24 -8.496 -1.892 -2.061 184 HA PHE 24 HA PHE 24 -9.998 -3.040 -4.183 185 HB2 PHE 24 HB2 PHE 24 -9.440 -4.011 -1.403 186 HB3 PHE 24 HB1 PHE 24 -10.459 -4.901 -2.535 187 HD1 PHE 24 HD2 PHE 24 -9.496 -5.371 -4.820 188 HD2 PHE 24 HD1 PHE 24 -7.162 -4.298 -1.459 189 HE1 PHE 24 HE2 PHE 24 -7.531 -6.300 -5.905 190 HE2 PHE 24 HE1 PHE 24 -5.166 -5.227 -2.538 191 HZ PHE 24 HZ PHE 24 -5.358 -6.242 -4.785 192 H GLU 25 HN GLU 25 -10.899 -1.435 -1.232 193 HA GLU 25 HA GLU 25 -13.619 -2.197 -1.358 194 HB2 GLU 25 HB2 GLU 25 -12.611 -1.333 0.702 195 HB3 GLU 25 HB1 GLU 25 -12.357 0.229 -0.063 196 HG2 GLU 25 HG2 GLU 25 -14.290 0.275 1.413 197 HG3 GLU 25 HG1 GLU 25 -14.759 0.538 -0.264 198 H GLU 26 HN GLU 26 -11.791 0.413 -2.802 199 HA GLU 26 HA GLU 26 -14.176 1.666 -3.766 200 HB2 GLU 26 HB2 GLU 26 -12.125 2.984 -3.288 201 HB3 GLU 26 HB1 GLU 26 -11.342 2.191 -4.648 202 HG2 GLU 26 HG2 GLU 26 -12.898 3.119 -6.181 203 HG3 GLU 26 HG1 GLU 26 -13.870 3.773 -4.869 204 H HIS 27 HN HIS 27 -11.664 -0.377 -5.164 205 HA HIS 27 HA HIS 27 -12.737 -0.320 -7.785 206 HB2 HIS 27 HB2 HIS 27 -10.874 -2.292 -6.479 207 HB3 HIS 27 HB1 HIS 27 -11.485 -2.550 -8.102 208 HD1 HIS 27 HD1 HIS 27 -11.097 0.094 -9.463 209 HD2 HIS 27 HD2 HIS 27 -8.339 -1.422 -6.747 210 HE1 HIS 27 HE1 HIS 27 -8.922 1.169 -10.030 211 HE2 HIS 27 HE2 HIS 27 -7.260 0.247 -8.446 212 H LYS 28 HN LYS 28 -13.232 -2.549 -5.079 213 HA LYS 28 HA LYS 28 -14.680 -4.167 -4.662 214 HB2 LYS 28 HB2 LYS 28 -16.435 -2.750 -6.706 215 HB3 LYS 28 HB1 LYS 28 -16.983 -3.958 -5.545 216 HG2 LYS 28 HG2 LYS 28 -16.354 -2.505 -3.700 217 HG3 LYS 28 HG1 LYS 28 -15.792 -1.290 -4.843 218 HD2 LYS 28 HD2 LYS 28 -18.072 -1.102 -5.733 219 HD3 LYS 28 HD1 LYS 28 -18.620 -2.295 -4.556 220 HE2 LYS 28 HE2 LYS 28 -17.394 0.397 -3.921 221 HE3 LYS 28 HE1 LYS 28 -19.102 -0.015 -3.793 222 HZ1 LYS 28 HZ1 LYS 28 -18.101 -0.102 -1.645 223 HZ2 LYS 28 HZ2 LYS 28 -16.866 -1.087 -2.116 224 HZ3 LYS 28 HZ3 LYS 28 -18.456 -1.680 -2.087 225 H LYS 29 HN LYS 29 -12.695 -4.489 -6.531 226 HA LYS 29 HA LYS 29 -13.635 -6.764 -8.044 227 HB2 LYS 29 HB2 LYS 29 -13.589 -4.877 -9.648 228 HB3 LYS 29 HB1 LYS 29 -11.946 -4.493 -9.156 229 HG2 LYS 29 HG2 LYS 29 -11.278 -6.780 -9.955 230 HG3 LYS 29 HG1 LYS 29 -12.899 -6.924 -10.632 231 HD2 LYS 29 HD2 LYS 29 -12.517 -5.033 -12.055 232 HD3 LYS 29 HD1 LYS 29 -10.925 -4.756 -11.331 233 HE2 LYS 29 HE2 LYS 29 -10.260 -7.036 -12.089 234 HE3 LYS 29 HE1 LYS 29 -11.799 -7.165 -12.935 235 HZ1 LYS 29 HZ1 LYS 29 -10.052 -6.492 -14.432 236 HZ2 LYS 29 HZ2 LYS 29 -9.653 -5.194 -13.459 237 HZ3 LYS 29 HZ3 LYS 29 -11.136 -5.207 -14.255 238 HA PRO 30 HA PRO 30 -9.738 -8.034 -6.163 239 HB2 PRO 30 HB2 PRO 30 -9.626 -10.339 -7.920 240 HB3 PRO 30 HB1 PRO 30 -9.976 -10.268 -6.205 241 HG2 PRO 30 HG2 PRO 30 -11.838 -10.915 -8.116 242 HG3 PRO 30 HG1 PRO 30 -12.221 -10.273 -6.512 243 HD2 PRO 30 HD2 PRO 30 -12.141 -8.895 -9.142 244 HD3 PRO 30 HD1 PRO 30 -13.230 -8.654 -7.759 245 H VAL 31 HN VAL 31 -7.649 -7.747 -6.699 246 HA VAL 31 HA VAL 31 -7.000 -7.285 -9.515 247 HB VAL 31 HB VAL 31 -6.191 -5.467 -7.193 248 HG11 VAL 31 HG11 VAL 31 -5.211 -4.001 -8.876 249 HG12 VAL 31 HG12 VAL 31 -5.581 -5.193 -10.123 250 HG13 VAL 31 HG13 VAL 31 -4.435 -5.584 -8.842 251 HG21 VAL 31 HG21 VAL 31 -8.063 -4.902 -9.494 252 HG22 VAL 31 HG22 VAL 31 -7.541 -3.730 -8.285 253 HG23 VAL 31 HG23 VAL 31 -8.526 -5.112 -7.806 254 HA PRO 32 HA PRO 32 -3.582 -10.033 -8.534 255 HB2 PRO 32 HB2 PRO 32 -2.186 -8.334 -10.550 256 HB3 PRO 32 HB1 PRO 32 -2.305 -10.095 -10.460 257 HG2 PRO 32 HG2 PRO 32 -3.743 -8.760 -12.233 258 HG3 PRO 32 HG1 PRO 32 -4.442 -10.131 -11.352 259 HD2 PRO 32 HD2 PRO 32 -4.872 -7.203 -10.941 260 HD3 PRO 32 HD1 PRO 32 -6.016 -8.558 -10.810 261 H PHE 33 HN PHE 33 -1.856 -9.945 -7.276 262 HA PHE 33 HA PHE 33 -1.353 -8.061 -5.410 263 HB2 PHE 33 HB2 PHE 33 -0.522 -10.383 -5.376 264 HB3 PHE 33 HB1 PHE 33 0.634 -9.948 -6.644 265 HD1 PHE 33 HD1 PHE 33 -0.259 -9.421 -3.105 266 HD2 PHE 33 HD2 PHE 33 2.682 -8.931 -6.133 267 HE1 PHE 33 HE1 PHE 33 1.403 -8.823 -1.395 268 HE2 PHE 33 HE2 PHE 33 4.337 -8.328 -4.444 269 HZ PHE 33 HZ PHE 33 3.705 -8.274 -2.062 270 H GLN 34 HN GLN 34 0.453 -8.452 -8.400 271 HA GLN 34 HA GLN 34 2.257 -6.330 -7.852 272 HB2 GLN 34 HB2 GLN 34 2.840 -8.231 -9.261 273 HB3 GLN 34 HB1 GLN 34 1.623 -7.746 -10.429 274 HG2 GLN 34 HG2 GLN 34 3.795 -7.104 -11.215 275 HG3 GLN 34 HG1 GLN 34 2.837 -5.678 -10.813 276 HE21 GLN 34 HE21 GLN 34 3.503 -4.351 -9.158 277 HE22 GLN 34 HE22 GLN 34 5.040 -4.537 -8.384 278 H GLU 35 HN GLU 35 -0.903 -6.454 -9.329 279 HA GLU 35 HA GLU 35 -0.491 -4.132 -10.960 280 HB2 GLU 35 HB2 GLU 35 -2.830 -5.928 -10.422 281 HB3 GLU 35 HB1 GLU 35 -2.978 -4.463 -11.381 282 HG2 GLU 35 HG2 GLU 35 -1.036 -6.668 -11.999 283 HG3 GLU 35 HG1 GLU 35 -2.657 -6.567 -12.686 284 H LEU 36 HN LEU 36 -1.980 -4.993 -7.938 285 HA LEU 36 HA LEU 36 -3.266 -2.525 -7.528 286 HB2 LEU 36 HB2 LEU 36 -3.617 -3.247 -5.248 287 HB3 LEU 36 HB1 LEU 36 -3.821 -4.629 -6.285 288 HG LEU 36 HG LEU 36 -1.286 -5.054 -5.582 289 HD11 LEU 36 HD11 LEU 36 -1.039 -3.063 -4.254 290 HD12 LEU 36 HD12 LEU 36 -0.910 -4.501 -3.238 291 HD13 LEU 36 HD13 LEU 36 -2.393 -3.545 -3.231 292 HD21 LEU 36 HD21 LEU 36 -3.132 -6.620 -5.253 293 HD22 LEU 36 HD22 LEU 36 -3.627 -5.722 -3.812 294 HD23 LEU 36 HD23 LEU 36 -2.077 -6.553 -3.841 295 H LEU 37 HN LEU 37 -0.061 -3.741 -6.825 296 HA LEU 37 HA LEU 37 0.839 -1.521 -5.327 297 HB2 LEU 37 HB2 LEU 37 2.285 -3.679 -6.833 298 HB3 LEU 37 HB1 LEU 37 3.092 -2.488 -5.830 299 HG LEU 37 HG LEU 37 0.994 -4.369 -4.759 300 HD11 LEU 37 HD11 LEU 37 2.772 -5.717 -5.613 301 HD12 LEU 37 HD12 LEU 37 2.924 -5.646 -3.852 302 HD13 LEU 37 HD13 LEU 37 3.975 -4.670 -4.881 303 HD21 LEU 37 HD21 LEU 37 2.012 -3.795 -2.607 304 HD22 LEU 37 HD22 LEU 37 1.394 -2.362 -3.424 305 HD23 LEU 37 HD23 LEU 37 3.126 -2.697 -3.425 306 H ASN 38 HN ASN 38 0.911 -2.387 -8.716 307 HA ASN 38 HA ASN 38 2.613 -0.346 -9.594 308 HB2 ASN 38 HB2 ASN 38 0.416 -1.772 -11.113 309 HB3 ASN 38 HB1 ASN 38 1.530 -0.624 -11.845 310 HD21 ASN 38 HD21 ASN 38 1.190 -3.432 -12.500 311 HD22 ASN 38 HD22 ASN 38 2.735 -4.140 -12.221 312 H GLU 39 HN GLU 39 -0.928 -0.343 -9.256 313 HA GLU 39 HA GLU 39 -0.993 2.324 -10.225 314 HB2 GLU 39 HB2 GLU 39 -3.376 2.374 -9.576 315 HB3 GLU 39 HB1 GLU 39 -2.968 1.003 -10.596 316 HG2 GLU 39 HG2 GLU 39 -2.952 -0.408 -8.571 317 HG3 GLU 39 HG1 GLU 39 -3.475 0.996 -7.637 318 H ILE 40 HN ILE 40 -0.886 0.897 -7.020 319 HA ILE 40 HA ILE 40 -1.219 3.244 -5.546 320 HB ILE 40 HB ILE 40 0.527 0.832 -4.930 321 HG12 ILE 40 HG12 ILE 40 -2.156 1.669 -3.814 322 HG13 ILE 40 HG11 ILE 40 -1.912 0.444 -5.055 323 HG21 ILE 40 HG21 ILE 40 0.608 1.615 -2.595 324 HG22 ILE 40 HG22 ILE 40 -0.195 3.110 -3.076 325 HG23 ILE 40 HG23 ILE 40 1.414 2.739 -3.691 326 HD11 ILE 40 HD11 ILE 40 -0.654 -0.907 -3.472 327 HD12 ILE 40 HD12 ILE 40 -2.283 -0.564 -2.889 328 HD13 ILE 40 HD13 ILE 40 -0.903 0.315 -2.221 329 H ALA 41 HN ALA 41 1.746 1.825 -6.854 330 HA ALA 41 HA ALA 41 3.461 3.872 -6.011 331 HB1 ALA 41 HB1 ALA 41 3.892 2.028 -8.353 332 HB2 ALA 41 HB2 ALA 41 4.195 1.641 -6.655 333 HB3 ALA 41 HB3 ALA 41 5.116 2.923 -7.435 334 H SER 42 HN SER 42 1.460 3.647 -8.830 335 HA SER 42 HA SER 42 2.735 5.888 -10.073 336 HB2 SER 42 HB2 SER 42 -0.029 4.766 -10.617 337 HB3 SER 42 HB1 SER 42 0.877 5.858 -11.663 338 HG SER 42 HG SER 42 1.602 3.191 -10.961 339 H LEU 43 HN LEU 43 -0.169 5.542 -8.098 340 HA LEU 43 HA LEU 43 -0.880 8.300 -8.210 341 HB2 LEU 43 HB2 LEU 43 -1.551 6.206 -6.134 342 HB3 LEU 43 HB1 LEU 43 -2.360 7.750 -6.319 343 HG LEU 43 HG LEU 43 -2.384 5.530 -8.368 344 HD11 LEU 43 HD11 LEU 43 -4.474 6.382 -6.388 345 HD12 LEU 43 HD12 LEU 43 -3.594 4.851 -6.409 346 HD13 LEU 43 HD13 LEU 43 -4.725 5.237 -7.703 347 HD21 LEU 43 HD21 LEU 43 -4.175 6.841 -9.413 348 HD22 LEU 43 HD22 LEU 43 -2.651 7.723 -9.382 349 HD23 LEU 43 HD23 LEU 43 -3.924 8.122 -8.226 350 H LEU 44 HN LEU 44 0.736 6.289 -5.830 351 HA LEU 44 HA LEU 44 1.515 8.449 -4.113 352 HB2 LEU 44 HB2 LEU 44 1.042 6.295 -3.156 353 HB3 LEU 44 HB1 LEU 44 2.126 5.501 -4.271 354 HG LEU 44 HG LEU 44 4.016 6.670 -3.127 355 HD11 LEU 44 HD11 LEU 44 2.804 8.495 -2.106 356 HD12 LEU 44 HD12 LEU 44 3.654 7.544 -0.889 357 HD13 LEU 44 HD13 LEU 44 1.913 7.358 -1.093 358 HD21 LEU 44 HD21 LEU 44 3.496 4.353 -2.714 359 HD22 LEU 44 HD22 LEU 44 2.313 4.803 -1.486 360 HD23 LEU 44 HD23 LEU 44 4.028 5.127 -1.220 361 H GLY 45 HN GLY 45 2.918 9.766 -4.977 362 HA2 GLY 45 HA2 GLY 45 4.833 9.307 -6.962 363 HA3 GLY 45 HA1 GLY 45 4.922 10.605 -5.789 364 H VAL 46 HN VAL 46 5.700 7.208 -6.242 365 HA VAL 46 HA VAL 46 8.271 7.606 -4.890 366 HB VAL 46 HB VAL 46 8.102 5.307 -3.920 367 HG11 VAL 46 HG11 VAL 46 5.985 7.232 -2.982 368 HG12 VAL 46 HG12 VAL 46 7.668 7.165 -2.457 369 HG13 VAL 46 HG13 VAL 46 6.568 5.845 -2.061 370 HG21 VAL 46 HG21 VAL 46 6.428 4.352 -5.406 371 HG22 VAL 46 HG22 VAL 46 5.215 5.470 -4.812 372 HG23 VAL 46 HG23 VAL 46 5.864 4.227 -3.737 373 H LYS 47 HN LYS 47 9.690 5.646 -5.397 374 HA LYS 47 HA LYS 47 9.516 5.094 -8.283 375 HB2 LYS 47 HB2 LYS 47 11.611 4.070 -6.365 376 HB3 LYS 47 HB1 LYS 47 11.700 4.166 -8.104 377 HG2 LYS 47 HG2 LYS 47 11.884 6.523 -8.028 378 HG3 LYS 47 HG1 LYS 47 11.607 6.527 -6.278 379 HD2 LYS 47 HD2 LYS 47 13.623 5.038 -6.083 380 HD3 LYS 47 HD1 LYS 47 13.946 5.380 -7.779 381 HE2 LYS 47 HE2 LYS 47 15.206 6.824 -6.238 382 HE3 LYS 47 HE1 LYS 47 14.140 7.741 -7.311 383 HZ1 LYS 47 HZ1 LYS 47 12.595 8.058 -5.546 384 HZ2 LYS 47 HZ2 LYS 47 14.096 8.441 -4.897 385 HZ3 LYS 47 HZ3 LYS 47 13.366 6.953 -4.548 386 H LYS 48 HN LYS 48 9.689 2.881 -9.032 387 HA LYS 48 HA LYS 48 8.051 1.097 -7.526 388 HB2 LYS 48 HB2 LYS 48 8.166 1.106 -10.036 389 HB3 LYS 48 HB1 LYS 48 9.791 0.443 -9.914 390 HG2 LYS 48 HG2 LYS 48 8.504 -1.461 -10.252 391 HG3 LYS 48 HG1 LYS 48 8.731 -1.375 -8.506 392 HD2 LYS 48 HD2 LYS 48 6.425 -1.903 -8.728 393 HD3 LYS 48 HD1 LYS 48 6.444 -0.176 -8.427 394 HE2 LYS 48 HE2 LYS 48 6.183 -1.484 -11.149 395 HE3 LYS 48 HE1 LYS 48 4.858 -0.841 -10.220 396 HZ1 LYS 48 HZ1 LYS 48 5.906 1.388 -10.437 397 HZ2 LYS 48 HZ2 LYS 48 5.491 0.677 -11.889 398 HZ3 LYS 48 HZ3 LYS 48 7.092 0.706 -11.437 399 H GLU 49 HN GLU 49 11.437 1.570 -8.076 400 HA GLU 49 HA GLU 49 12.601 -0.773 -7.181 401 HB2 GLU 49 HB2 GLU 49 13.712 2.002 -6.675 402 HB3 GLU 49 HB1 GLU 49 14.618 0.510 -6.790 403 HG2 GLU 49 HG2 GLU 49 15.042 1.504 -8.824 404 HG3 GLU 49 HG1 GLU 49 13.704 0.436 -9.210 405 H GLU 50 HN GLU 50 12.088 2.148 -5.262 406 HA GLU 50 HA GLU 50 12.891 1.012 -2.799 407 HB2 GLU 50 HB2 GLU 50 11.956 3.121 -1.826 408 HB3 GLU 50 HB1 GLU 50 13.111 3.367 -3.126 409 HG2 GLU 50 HG2 GLU 50 10.985 3.478 -4.629 410 HG3 GLU 50 HG1 GLU 50 10.166 3.759 -3.113 411 H LEU 51 HN LEU 51 9.760 1.439 -4.345 412 HA LEU 51 HA LEU 51 8.365 0.529 -2.055 413 HB2 LEU 51 HB2 LEU 51 7.346 1.959 -3.870 414 HB3 LEU 51 HB1 LEU 51 7.419 0.522 -4.881 415 HG LEU 51 HG LEU 51 5.928 -0.651 -3.275 416 HD11 LEU 51 HD11 LEU 51 6.358 0.629 -1.278 417 HD12 LEU 51 HD12 LEU 51 4.639 0.662 -1.665 418 HD13 LEU 51 HD13 LEU 51 5.649 2.065 -2.017 419 HD21 LEU 51 HD21 LEU 51 4.823 1.875 -4.483 420 HD22 LEU 51 HD22 LEU 51 3.869 0.490 -3.949 421 HD23 LEU 51 HD23 LEU 51 5.007 0.312 -5.284 422 H GLY 52 HN GLY 52 10.149 -0.936 -4.564 423 HA2 GLY 52 HA2 GLY 52 8.954 -3.497 -4.668 424 HA3 GLY 52 HA1 GLY 52 10.609 -3.100 -5.121 425 H ASP 53 HN ASP 53 11.561 -2.113 -2.815 426 HA ASP 53 HA ASP 53 12.153 -4.384 -1.217 427 HB2 ASP 53 HB2 ASP 53 13.623 -2.401 -1.312 428 HB3 ASP 53 HB1 ASP 53 12.374 -1.433 -0.543 429 H ARG 54 HN ARG 54 9.875 -1.774 -0.965 430 HA ARG 54 HA ARG 54 8.677 -2.695 1.435 431 HB2 ARG 54 HB2 ARG 54 8.108 -0.503 -0.423 432 HB3 ARG 54 HB1 ARG 54 6.689 -1.161 0.385 433 HG2 ARG 54 HG2 ARG 54 7.589 0.717 1.619 434 HG3 ARG 54 HG1 ARG 54 7.746 -0.768 2.551 435 HD2 ARG 54 HD2 ARG 54 10.118 -0.889 1.599 436 HD3 ARG 54 HD1 ARG 54 9.849 0.756 1.077 437 HE ARG 54 HE ARG 54 9.153 1.040 3.603 438 HH11 ARG 54 HH11 ARG 54 12.074 -0.794 2.473 439 HH12 ARG 54 HH12 ARG 54 12.955 -0.291 3.809 440 HH21 ARG 54 HH21 ARG 54 10.363 1.575 5.314 441 HH22 ARG 54 HH22 ARG 54 11.998 1.060 5.520 442 H ILE 55 HN ILE 55 8.386 -3.799 -1.754 443 HA ILE 55 HA ILE 55 5.786 -4.934 -1.472 444 HB ILE 55 HB ILE 55 8.053 -5.609 -3.389 445 HG12 ILE 55 HG12 ILE 55 5.458 -4.111 -3.781 446 HG13 ILE 55 HG11 ILE 55 7.062 -3.421 -3.748 447 HG21 ILE 55 HG21 ILE 55 5.241 -6.688 -3.415 448 HG22 ILE 55 HG22 ILE 55 6.708 -7.610 -3.087 449 HG23 ILE 55 HG23 ILE 55 6.435 -6.922 -4.691 450 HD11 ILE 55 HD11 ILE 55 6.255 -3.579 -6.030 451 HD12 ILE 55 HD12 ILE 55 6.010 -5.313 -5.844 452 HD13 ILE 55 HD13 ILE 55 7.641 -4.649 -5.805 453 H ALA 56 HN ALA 56 9.066 -5.970 -0.911 454 HA ALA 56 HA ALA 56 8.546 -8.616 -0.095 455 HB1 ALA 56 HB1 ALA 56 10.818 -7.794 -0.476 456 HB2 ALA 56 HB2 ALA 56 10.661 -8.435 1.163 457 HB3 ALA 56 HB3 ALA 56 10.659 -6.695 0.893 458 H GLN 57 HN GLN 57 8.803 -5.616 1.741 459 HA GLN 57 HA GLN 57 8.009 -6.575 4.249 460 HB2 GLN 57 HB2 GLN 57 9.052 -4.302 3.743 461 HB3 GLN 57 HB1 GLN 57 7.491 -3.791 3.138 462 HG2 GLN 57 HG2 GLN 57 7.895 -4.747 5.966 463 HG3 GLN 57 HG1 GLN 57 8.131 -3.073 5.495 464 HE21 GLN 57 HE21 GLN 57 6.241 -4.437 7.284 465 HE22 GLN 57 HE22 GLN 57 4.653 -3.972 6.839 466 H PHE 58 HN PHE 58 6.170 -5.392 1.509 467 HA PHE 58 HA PHE 58 3.644 -5.331 2.658 468 HB2 PHE 58 HB2 PHE 58 4.285 -4.275 0.474 469 HB3 PHE 58 HB1 PHE 58 4.279 -5.878 -0.241 470 HD1 PHE 58 HD2 PHE 58 2.022 -3.699 1.779 471 HD2 PHE 58 HD1 PHE 58 2.394 -6.488 -1.400 472 HE1 PHE 58 HE2 PHE 58 -0.365 -3.425 1.270 473 HE2 PHE 58 HE1 PHE 58 0.008 -6.224 -1.915 474 HZ PHE 58 HZ PHE 58 -1.378 -4.690 -0.577 475 H TYR 59 HN TYR 59 5.324 -7.997 0.958 476 HA TYR 59 HA TYR 59 3.240 -9.869 1.008 477 HB2 TYR 59 HB2 TYR 59 6.206 -10.258 1.341 478 HB3 TYR 59 HB1 TYR 59 5.099 -11.610 1.451 479 HD1 TYR 59 HD1 TYR 59 3.491 -11.880 -0.598 480 HD2 TYR 59 HD2 TYR 59 7.149 -9.745 -0.675 481 HE1 TYR 59 HE1 TYR 59 3.645 -12.237 -3.027 482 HE2 TYR 59 HE2 TYR 59 7.308 -10.071 -3.100 483 HH TYR 59 HH TYR 59 4.701 -11.265 -4.964 484 H THR 60 HN THR 60 5.677 -9.212 3.445 485 HA THR 60 HA THR 60 4.786 -10.978 5.391 486 HB THR 60 HB THR 60 6.237 -8.348 5.608 487 HG1 THR 60 HG1 THR 60 7.932 -9.455 4.970 488 HG21 THR 60 HG21 THR 60 7.140 -9.276 7.727 489 HG22 THR 60 HG22 THR 60 6.013 -10.637 7.596 490 HG23 THR 60 HG23 THR 60 5.410 -8.981 7.777 491 H ASP 61 HN ASP 61 4.145 -7.508 5.068 492 HA ASP 61 HA ASP 61 2.565 -7.140 7.361 493 HB2 ASP 61 HB2 ASP 61 3.789 -5.476 5.757 494 HB3 ASP 61 HB1 ASP 61 2.270 -5.487 4.879 495 H LEU 62 HN LEU 62 1.757 -7.875 4.045 496 HA LEU 62 HA LEU 62 -1.066 -7.564 4.251 497 HB2 LEU 62 HB2 LEU 62 0.296 -7.324 2.194 498 HB3 LEU 62 HB1 LEU 62 0.594 -9.042 2.228 499 HG LEU 62 HG LEU 62 -1.829 -9.419 1.918 500 HD11 LEU 62 HD11 LEU 62 -3.179 -7.510 1.169 501 HD12 LEU 62 HD12 LEU 62 -1.835 -6.426 1.534 502 HD13 LEU 62 HD13 LEU 62 -2.637 -7.313 2.832 503 HD21 LEU 62 HD21 LEU 62 -0.288 -9.465 0.048 504 HD22 LEU 62 HD22 LEU 62 -0.450 -7.719 -0.146 505 HD23 LEU 62 HD23 LEU 62 -1.834 -8.772 -0.437 506 H ASN 63 HN ASN 63 1.175 -10.321 4.390 507 HA ASN 63 HA ASN 63 -0.865 -12.289 4.296 508 HB2 ASN 63 HB2 ASN 63 1.525 -12.710 3.691 509 HB3 ASN 63 HB1 ASN 63 1.933 -12.611 5.398 510 HD21 ASN 63 HD21 ASN 63 0.428 -14.483 2.923 511 HD22 ASN 63 HD22 ASN 63 0.260 -15.946 3.829 512 H ILE 64 HN ILE 64 0.585 -10.485 6.887 513 HA ILE 64 HA ILE 64 -0.687 -12.158 8.887 514 HB ILE 64 HB ILE 64 0.335 -10.663 10.567 515 HG12 ILE 64 HG12 ILE 64 1.472 -9.188 8.171 516 HG13 ILE 64 HG11 ILE 64 0.263 -8.561 9.281 517 HG21 ILE 64 HG21 ILE 64 2.254 -11.650 8.457 518 HG22 ILE 64 HG22 ILE 64 1.591 -12.588 9.794 519 HG23 ILE 64 HG23 ILE 64 2.689 -11.245 10.116 520 HD11 ILE 64 HD11 ILE 64 2.465 -7.630 9.724 521 HD12 ILE 64 HD12 ILE 64 3.112 -9.252 9.975 522 HD13 ILE 64 HD13 ILE 64 1.908 -8.601 11.086 523 H ASP 65 HN ASP 65 -1.860 -9.931 6.884 524 HA ASP 65 HA ASP 65 -3.435 -8.420 8.784 525 HB2 ASP 65 HB2 ASP 65 -2.646 -7.285 6.733 526 HB3 ASP 65 HB1 ASP 65 -3.523 -8.450 5.748 527 H GLY 66 HN GLY 66 -5.652 -8.679 9.097 528 HA2 GLY 66 HA2 GLY 66 -6.577 -11.349 8.315 529 HA3 GLY 66 HA1 GLY 66 -7.123 -10.436 9.739 530 H ARG 67 HN ARG 67 -7.023 -8.255 7.278 531 HA ARG 67 HA ARG 67 -9.931 -8.362 6.893 532 HB2 ARG 67 HB2 ARG 67 -7.905 -6.485 5.699 533 HB3 ARG 67 HB1 ARG 67 -9.631 -6.243 5.826 534 HG2 ARG 67 HG2 ARG 67 -9.486 -5.720 8.106 535 HG3 ARG 67 HG1 ARG 67 -7.845 -6.387 8.234 536 HD2 ARG 67 HD2 ARG 67 -7.013 -4.715 6.709 537 HD3 ARG 67 HD1 ARG 67 -8.630 -4.076 6.492 538 HE ARG 67 HE ARG 67 -8.515 -3.435 8.858 539 HH11 ARG 67 HH11 ARG 67 -5.349 -4.202 7.402 540 HH12 ARG 67 HH12 ARG 67 -4.662 -2.706 7.924 541 HH21 ARG 67 HH21 ARG 67 -7.400 -1.433 9.629 542 HH22 ARG 67 HH22 ARG 67 -5.784 -1.210 9.118 543 H PHE 68 HN PHE 68 -6.858 -8.542 5.327 544 HA PHE 68 HA PHE 68 -7.830 -8.815 2.722 545 HB2 PHE 68 HB2 PHE 68 -5.219 -8.707 3.987 546 HB3 PHE 68 HB1 PHE 68 -5.295 -9.704 2.534 547 HD1 PHE 68 HD2 PHE 68 -5.785 -6.295 3.862 548 HD2 PHE 68 HD1 PHE 68 -5.649 -8.785 0.424 549 HE1 PHE 68 HE2 PHE 68 -5.704 -4.305 2.406 550 HE2 PHE 68 HE1 PHE 68 -5.565 -6.833 -1.015 551 HZ PHE 68 HZ PHE 68 -5.591 -4.611 -0.071 552 H LEU 69 HN LEU 69 -7.543 -10.393 1.337 553 HA LEU 69 HA LEU 69 -7.421 -13.091 2.315 554 HB2 LEU 69 HB2 LEU 69 -9.695 -12.636 2.444 555 HB3 LEU 69 HB1 LEU 69 -9.704 -11.695 0.975 556 HG LEU 69 HG LEU 69 -9.450 -13.772 -0.322 557 HD11 LEU 69 HD11 LEU 69 -9.721 -15.139 2.346 558 HD12 LEU 69 HD12 LEU 69 -8.275 -15.120 1.337 559 HD13 LEU 69 HD13 LEU 69 -9.738 -15.921 0.768 560 HD21 LEU 69 HD21 LEU 69 -11.683 -14.553 0.052 561 HD22 LEU 69 HD22 LEU 69 -11.612 -12.788 0.207 562 HD23 LEU 69 HD23 LEU 69 -11.703 -13.806 1.645 563 H ALA 70 HN ALA 70 -6.248 -14.256 0.738 564 HA ALA 70 HA ALA 70 -5.659 -12.918 -1.776 565 HB1 ALA 70 HB1 ALA 70 -4.056 -14.763 -2.105 566 HB2 ALA 70 HB2 ALA 70 -4.586 -15.482 -0.594 567 HB3 ALA 70 HB3 ALA 70 -3.751 -13.924 -0.579 568 H LEU 71 HN LEU 71 -6.812 -13.446 -3.482 569 HA LEU 71 HA LEU 71 -8.657 -15.606 -3.207 570 HB2 LEU 71 HB2 LEU 71 -8.182 -14.017 -5.714 571 HB3 LEU 71 HB1 LEU 71 -9.602 -14.926 -5.264 572 HG LEU 71 HG LEU 71 -8.743 -12.203 -4.416 573 HD11 LEU 71 HD11 LEU 71 -11.317 -13.373 -5.362 574 HD12 LEU 71 HD12 LEU 71 -10.160 -12.427 -6.302 575 HD13 LEU 71 HD13 LEU 71 -11.036 -11.683 -4.961 576 HD21 LEU 71 HD21 LEU 71 -10.779 -13.858 -2.927 577 HD22 LEU 71 HD22 LEU 71 -10.440 -12.131 -2.706 578 HD23 LEU 71 HD23 LEU 71 -9.205 -13.331 -2.310 579 H SER 72 HN SER 72 -8.670 -16.367 -5.922 580 HA SER 72 HA SER 72 -7.650 -18.779 -5.722 581 HB2 SER 72 HB2 SER 72 -7.862 -17.346 -8.314 582 HB3 SER 72 HB1 SER 72 -8.196 -19.042 -7.955 583 HG SER 72 HG SER 72 -9.791 -18.009 -6.335 584 H ASP 73 HN ASP 73 -5.870 -16.386 -7.858 585 HA ASP 73 HA ASP 73 -3.570 -18.190 -7.443 586 HB2 ASP 73 HB2 ASP 73 -4.509 -18.721 -9.572 587 HB3 ASP 73 HB1 ASP 73 -4.550 -17.032 -10.040 588 H GLN 74 HN GLN 74 -4.466 -14.961 -7.235 589 HA GLN 74 HA GLN 74 -1.839 -13.916 -7.000 590 HB2 GLN 74 HB2 GLN 74 -1.414 -12.906 -9.100 591 HB3 GLN 74 HB1 GLN 74 -1.848 -14.560 -9.440 592 HG2 GLN 74 HG2 GLN 74 -3.559 -12.097 -9.906 593 HG3 GLN 74 HG1 GLN 74 -2.747 -13.044 -11.127 594 HE21 GLN 74 HE21 GLN 74 -4.577 -13.486 -12.312 595 HE22 GLN 74 HE22 GLN 74 -5.877 -14.480 -11.735 596 H THR 75 HN THR 75 -5.158 -13.477 -7.750 597 HA THR 75 HA THR 75 -5.271 -10.694 -7.395 598 HB THR 75 HB THR 75 -7.803 -11.466 -7.170 599 HG1 THR 75 HG1 THR 75 -6.935 -13.581 -8.771 600 HG21 THR 75 HG21 THR 75 -7.948 -11.466 -9.633 601 HG22 THR 75 HG22 THR 75 -6.203 -11.688 -9.734 602 HG23 THR 75 HG23 THR 75 -6.863 -10.196 -9.061 603 H TRP 76 HN TRP 76 -5.082 -9.719 -5.431 604 HA TRP 76 HA TRP 76 -5.945 -11.255 -3.139 605 HB2 TRP 76 HB2 TRP 76 -4.210 -8.802 -3.448 606 HB3 TRP 76 HB1 TRP 76 -4.961 -9.179 -1.904 607 HD1 TRP 76 HD1 TRP 76 -2.391 -10.712 -4.390 608 HE1 TRP 76 HE1 TRP 76 -0.772 -12.228 -3.016 609 HE3 TRP 76 HE3 TRP 76 -4.656 -10.445 0.195 610 HZ2 TRP 76 HZ2 TRP 76 -0.511 -13.161 -0.360 611 HZ3 TRP 76 HZ3 TRP 76 -3.662 -11.665 2.082 612 HH2 TRP 76 HH2 TRP 76 -1.637 -12.992 1.803 613 H GLY 77 HN GLY 77 -7.270 -10.021 -1.572 614 HA2 GLY 77 HA2 GLY 77 -8.638 -7.738 -2.496 615 HA3 GLY 77 HA1 GLY 77 -9.590 -9.208 -2.707 616 H LEU 78 HN LEU 78 -11.036 -8.484 -1.258 617 HA LEU 78 HA LEU 78 -10.094 -8.247 1.511 618 HB2 LEU 78 HB2 LEU 78 -12.581 -7.080 0.269 619 HB3 LEU 78 HB1 LEU 78 -12.159 -6.976 1.964 620 HG LEU 78 HG LEU 78 -10.640 -5.713 -0.319 621 HD11 LEU 78 HD11 LEU 78 -12.765 -4.621 0.120 622 HD12 LEU 78 HD12 LEU 78 -11.418 -3.605 0.637 623 HD13 LEU 78 HD13 LEU 78 -12.361 -4.494 1.832 624 HD21 LEU 78 HD21 LEU 78 -9.338 -4.600 1.449 625 HD22 LEU 78 HD22 LEU 78 -9.122 -6.345 1.479 626 HD23 LEU 78 HD23 LEU 78 -10.172 -5.567 2.666 627 H ARG 79 HN ARG 79 -10.925 -9.509 3.000 628 HA ARG 79 HA ARG 79 -12.302 -11.849 2.234 629 HB2 ARG 79 HB2 ARG 79 -10.709 -11.875 4.049 630 HB3 ARG 79 HB1 ARG 79 -11.607 -10.639 4.904 631 HG2 ARG 79 HG2 ARG 79 -13.435 -12.192 5.247 632 HG3 ARG 79 HG1 ARG 79 -12.543 -13.440 4.373 633 HD2 ARG 79 HD2 ARG 79 -10.831 -13.445 5.961 634 HD3 ARG 79 HD1 ARG 79 -11.458 -12.040 6.793 635 HE ARG 79 HE ARG 79 -13.125 -14.449 6.603 636 HH11 ARG 79 HH11 ARG 79 -11.280 -12.243 8.690 637 HH12 ARG 79 HH12 ARG 79 -11.680 -13.061 10.124 638 HH21 ARG 79 HH21 ARG 79 -13.688 -15.533 8.577 639 HH22 ARG 79 HH22 ARG 79 -13.081 -14.971 10.065 640 H SER 80 HN SER 80 -13.283 -8.731 3.198 641 HA SER 80 HA SER 80 -15.691 -9.131 4.456 642 HB2 SER 80 HB2 SER 80 -14.993 -6.887 2.574 643 HB3 SER 80 HB1 SER 80 -16.045 -6.828 3.994 644 HG SER 80 HG SER 80 -13.901 -6.012 4.350 645 H TRP 81 HN TRP 81 -14.926 -9.762 1.127 646 HA TRP 81 HA TRP 81 -17.671 -9.417 0.180 647 HB2 TRP 81 HB2 TRP 81 -15.365 -10.658 -1.300 648 HB3 TRP 81 HB1 TRP 81 -16.883 -10.102 -1.967 649 HD1 TRP 81 HD1 TRP 81 -16.899 -7.126 -0.820 650 HE1 TRP 81 HE1 TRP 81 -15.186 -5.444 -1.759 651 HE3 TRP 81 HE3 TRP 81 -13.429 -10.443 -2.628 652 HZ2 TRP 81 HZ2 TRP 81 -12.703 -5.513 -3.116 653 HZ3 TRP 81 HZ3 TRP 81 -11.436 -9.547 -3.751 654 HH2 TRP 81 HH2 TRP 81 -11.076 -7.141 -3.987 655 H TYR 82 HN TYR 82 -15.557 -11.997 1.312 656 HA TYR 82 HA TYR 82 -17.435 -14.000 0.220 657 HB2 TYR 82 HB2 TYR 82 -14.452 -14.343 0.346 658 HB3 TYR 82 HB1 TYR 82 -15.616 -15.386 -0.441 659 HD1 TYR 82 HD1 TYR 82 -17.064 -13.802 -2.348 660 HD2 TYR 82 HD2 TYR 82 -13.057 -13.321 -1.053 661 HE1 TYR 82 HE1 TYR 82 -16.501 -12.755 -4.475 662 HE2 TYR 82 HE2 TYR 82 -12.491 -12.266 -3.145 663 HH TYR 82 HH TYR 82 -13.303 -12.232 -5.451 Start of MODEL 16 1 H1 GLY 2 HT1 GLY 2 -13.133 5.997 -2.874 2 H2 GLY 2 HT2 GLY 2 -12.137 7.068 -2.016 3 H3 GLY 2 HT3 GLY 2 -11.958 5.412 -1.778 4 HA2 GLY 2 HA1 GLY 2 -11.209 5.255 -4.122 5 HA3 GLY 2 HA2 GLY 2 -11.428 6.999 -4.200 6 H ILE 3 HN ILE 3 -9.117 5.042 -4.296 7 HA ILE 3 HA ILE 3 -7.598 6.183 -2.089 8 HB ILE 3 HB ILE 3 -7.446 3.721 -2.411 9 HG12 ILE 3 HG12 ILE 3 -4.976 3.525 -2.315 10 HG13 ILE 3 HG11 ILE 3 -4.840 5.184 -2.885 11 HG21 ILE 3 HG21 ILE 3 -6.181 2.788 -4.290 12 HG22 ILE 3 HG22 ILE 3 -6.104 4.391 -5.020 13 HG23 ILE 3 HG23 ILE 3 -7.662 3.591 -4.815 14 HD11 ILE 3 HD11 ILE 3 -5.956 5.977 -0.862 15 HD12 ILE 3 HD12 ILE 3 -4.527 5.030 -0.468 16 HD13 ILE 3 HD13 ILE 3 -6.129 4.315 -0.301 17 H LYS 4 HN LYS 4 -8.061 6.348 -5.469 18 HA LYS 4 HA LYS 4 -5.609 7.599 -6.199 19 HB2 LYS 4 HB2 LYS 4 -6.697 8.089 -8.332 20 HB3 LYS 4 HB1 LYS 4 -7.018 6.432 -7.837 21 HG2 LYS 4 HG2 LYS 4 -9.205 7.127 -6.991 22 HG3 LYS 4 HG1 LYS 4 -8.898 8.763 -7.560 23 HD2 LYS 4 HD2 LYS 4 -10.314 7.572 -9.138 24 HD3 LYS 4 HD1 LYS 4 -8.745 7.907 -9.866 25 HE2 LYS 4 HE2 LYS 4 -8.040 5.678 -9.620 26 HE3 LYS 4 HE1 LYS 4 -9.363 5.291 -8.519 27 HZ1 LYS 4 HZ1 LYS 4 -10.892 5.510 -10.303 28 HZ2 LYS 4 HZ2 LYS 4 -9.684 4.420 -10.768 29 HZ3 LYS 4 HZ3 LYS 4 -9.717 5.982 -11.403 30 H GLN 5 HN GLN 5 -7.950 8.710 -4.284 31 HA GLN 5 HA GLN 5 -8.210 11.451 -5.198 32 HB2 GLN 5 HB2 GLN 5 -8.900 10.346 -2.485 33 HB3 GLN 5 HB1 GLN 5 -9.574 11.763 -3.284 34 HG2 GLN 5 HG2 GLN 5 -9.821 8.964 -4.129 35 HG3 GLN 5 HG1 GLN 5 -11.105 9.861 -3.301 36 HE21 GLN 5 HE21 GLN 5 -11.010 8.593 -5.924 37 HE22 GLN 5 HE22 GLN 5 -11.373 9.833 -7.079 38 H TYR 6 HN TYR 6 -6.183 9.530 -3.270 39 HA TYR 6 HA TYR 6 -5.339 11.813 -1.775 40 HB2 TYR 6 HB2 TYR 6 -4.650 8.903 -1.312 41 HB3 TYR 6 HB1 TYR 6 -4.165 10.245 -0.309 42 HD1 TYR 6 HD2 TYR 6 -5.775 11.512 1.016 43 HD2 TYR 6 HD1 TYR 6 -7.016 8.069 -1.179 44 HE1 TYR 6 HE2 TYR 6 -7.803 11.386 2.359 45 HE2 TYR 6 HE1 TYR 6 -9.037 7.932 0.181 46 HH TYR 6 HH TYR 6 -9.870 8.694 2.366 47 H SER 7 HN SER 7 -2.849 11.862 -1.321 48 HA SER 7 HA SER 7 -1.379 11.195 -3.772 49 HB2 SER 7 HB2 SER 7 -1.048 13.618 -1.999 50 HB3 SER 7 HB1 SER 7 -0.109 13.256 -3.445 51 HG SER 7 HG SER 7 -2.820 13.949 -3.196 52 H GLN 8 HN GLN 8 1.188 11.638 -3.093 53 HA GLN 8 HA GLN 8 1.855 9.299 -1.686 54 HB2 GLN 8 HB2 GLN 8 4.216 10.099 -1.781 55 HB3 GLN 8 HB1 GLN 8 3.397 10.075 -3.333 56 HG2 GLN 8 HG2 GLN 8 3.113 12.391 -3.318 57 HG3 GLN 8 HG1 GLN 8 3.648 12.528 -1.644 58 HE21 GLN 8 HE21 GLN 8 4.673 13.858 -3.972 59 HE22 GLN 8 HE22 GLN 8 6.336 13.450 -4.093 60 H GLU 9 HN GLU 9 1.934 12.663 -0.598 61 HA GLU 9 HA GLU 9 3.213 12.343 1.836 62 HB2 GLU 9 HB2 GLU 9 1.879 14.420 2.512 63 HB3 GLU 9 HB1 GLU 9 2.888 14.544 1.083 64 HG2 GLU 9 HG2 GLU 9 0.022 13.842 0.703 65 HG3 GLU 9 HG1 GLU 9 0.420 15.497 1.143 66 H GLU 10 HN GLU 10 -0.103 11.882 0.987 67 HA GLU 10 HA GLU 10 -1.108 11.406 3.596 68 HB2 GLU 10 HB2 GLU 10 -2.510 12.107 1.758 69 HB3 GLU 10 HB1 GLU 10 -2.044 10.672 0.840 70 HG2 GLU 10 HG2 GLU 10 -4.317 10.488 1.823 71 HG3 GLU 10 HG1 GLU 10 -3.207 9.263 2.420 72 H LEU 11 HN LEU 11 -0.354 9.373 0.852 73 HA LEU 11 HA LEU 11 -0.870 6.892 1.954 74 HB2 LEU 11 HB2 LEU 11 1.067 7.590 -0.223 75 HB3 LEU 11 HB1 LEU 11 0.398 5.998 0.080 76 HG LEU 11 HG LEU 11 -1.203 8.427 -0.709 77 HD11 LEU 11 HD11 LEU 11 0.193 7.715 -2.493 78 HD12 LEU 11 HD12 LEU 11 -1.487 7.314 -2.837 79 HD13 LEU 11 HD13 LEU 11 -0.361 6.047 -2.328 80 HD21 LEU 11 HD21 LEU 11 -2.017 5.546 -0.390 81 HD22 LEU 11 HD22 LEU 11 -3.025 6.823 -1.065 82 HD23 LEU 11 HD23 LEU 11 -2.528 6.897 0.624 83 H LYS 12 HN LYS 12 2.179 8.723 2.086 84 HA LYS 12 HA LYS 12 3.669 6.536 3.127 85 HB2 LYS 12 HB2 LYS 12 5.377 8.208 3.781 86 HB3 LYS 12 HB1 LYS 12 4.871 8.352 2.104 87 HG2 LYS 12 HG2 LYS 12 3.653 10.309 2.543 88 HG3 LYS 12 HG1 LYS 12 3.739 10.062 4.286 89 HD2 LYS 12 HD2 LYS 12 5.281 11.824 3.518 90 HD3 LYS 12 HD1 LYS 12 6.133 10.474 4.255 91 HE2 LYS 12 HE2 LYS 12 6.632 9.603 2.000 92 HE3 LYS 12 HE1 LYS 12 5.818 11.008 1.307 93 HZ1 LYS 12 HZ1 LYS 12 8.257 11.215 1.443 94 HZ2 LYS 12 HZ2 LYS 12 8.139 11.193 3.141 95 HZ3 LYS 12 HZ3 LYS 12 7.427 12.438 2.251 96 H GLU 13 HN GLU 13 1.546 8.821 4.583 97 HA GLU 13 HA GLU 13 2.478 8.217 7.252 98 HB2 GLU 13 HB2 GLU 13 1.814 10.504 6.591 99 HB3 GLU 13 HB1 GLU 13 0.201 9.956 6.250 100 HG2 GLU 13 HG2 GLU 13 0.280 11.107 8.343 101 HG3 GLU 13 HG1 GLU 13 -0.085 9.406 8.640 102 H MET 14 HN MET 14 0.139 7.212 4.950 103 HA MET 14 HA MET 14 -1.706 5.955 6.754 104 HB2 MET 14 HB2 MET 14 -1.231 5.667 3.794 105 HB3 MET 14 HB1 MET 14 -2.334 4.620 4.653 106 HG2 MET 14 HG2 MET 14 -3.625 6.635 5.311 107 HG3 MET 14 HG1 MET 14 -2.549 7.591 4.289 108 HE1 MET 14 HE1 MET 14 -4.971 8.375 3.160 109 HE2 MET 14 HE2 MET 14 -5.873 7.163 4.069 110 HE3 MET 14 HE3 MET 14 -6.024 7.242 2.314 111 H ALA 15 HN ALA 15 -1.933 3.723 7.077 112 HA ALA 15 HA ALA 15 0.482 2.212 7.105 113 HB1 ALA 15 HB1 ALA 15 -2.424 1.463 7.518 114 HB2 ALA 15 HB2 ALA 15 -1.249 1.808 8.785 115 HB3 ALA 15 HB3 ALA 15 -1.083 0.357 7.799 116 H LEU 16 HN LEU 16 1.170 0.895 5.494 117 HA LEU 16 HA LEU 16 0.161 1.398 2.961 118 HB2 LEU 16 HB2 LEU 16 1.771 -0.285 2.039 119 HB3 LEU 16 HB1 LEU 16 2.474 0.995 2.993 120 HG LEU 16 HG LEU 16 2.050 -1.814 4.081 121 HD11 LEU 16 HD11 LEU 16 4.512 -0.609 2.815 122 HD12 LEU 16 HD12 LEU 16 3.495 -1.835 2.073 123 HD13 LEU 16 HD13 LEU 16 4.393 -2.210 3.546 124 HD21 LEU 16 HD21 LEU 16 2.448 -0.087 5.802 125 HD22 LEU 16 HD22 LEU 16 3.862 0.461 4.911 126 HD23 LEU 16 HD23 LEU 16 3.844 -1.145 5.626 127 H VAL 17 HN VAL 17 -0.545 -1.310 5.001 128 HA VAL 17 HA VAL 17 -1.874 -2.808 3.005 129 HB VAL 17 HB VAL 17 -1.131 -3.718 5.209 130 HG11 VAL 17 HG11 VAL 17 -1.831 -1.956 6.693 131 HG12 VAL 17 HG12 VAL 17 -2.560 -3.486 7.182 132 HG13 VAL 17 HG13 VAL 17 -3.522 -2.283 6.324 133 HG21 VAL 17 HG21 VAL 17 -4.034 -4.148 4.558 134 HG22 VAL 17 HG22 VAL 17 -3.037 -5.222 5.537 135 HG23 VAL 17 HG23 VAL 17 -2.665 -4.986 3.831 136 H GLU 18 HN GLU 18 -2.822 -0.014 4.850 137 HA GLU 18 HA GLU 18 -5.635 -0.382 4.493 138 HB2 GLU 18 HB2 GLU 18 -4.060 2.035 5.362 139 HB3 GLU 18 HB1 GLU 18 -5.813 1.998 5.270 140 HG2 GLU 18 HG2 GLU 18 -4.046 0.345 7.053 141 HG3 GLU 18 HG1 GLU 18 -5.166 1.624 7.535 142 H ILE 19 HN ILE 19 -3.115 1.380 2.903 143 HA ILE 19 HA ILE 19 -4.515 2.892 1.015 144 HB ILE 19 HB ILE 19 -1.948 1.315 0.626 145 HG12 ILE 19 HG12 ILE 19 -2.304 4.190 1.508 146 HG13 ILE 19 HG11 ILE 19 -1.848 2.852 2.554 147 HG21 ILE 19 HG21 ILE 19 -2.829 2.005 -1.514 148 HG22 ILE 19 HG22 ILE 19 -1.389 2.950 -1.129 149 HG23 ILE 19 HG23 ILE 19 -2.987 3.668 -0.950 150 HD11 ILE 19 HD11 ILE 19 0.217 2.560 1.262 151 HD12 ILE 19 HD12 ILE 19 0.085 4.184 1.944 152 HD13 ILE 19 HD13 ILE 19 -0.254 3.912 0.235 153 H ALA 20 HN ALA 20 -3.390 -0.425 0.913 154 HA ALA 20 HA ALA 20 -4.480 -1.020 -1.611 155 HB1 ALA 20 HB1 ALA 20 -2.569 -2.159 -0.632 156 HB2 ALA 20 HB2 ALA 20 -3.824 -3.273 -1.177 157 HB3 ALA 20 HB3 ALA 20 -3.640 -2.915 0.547 158 H HIS 21 HN HIS 21 -5.769 -1.312 1.671 159 HA HIS 21 HA HIS 21 -8.008 -2.939 1.030 160 HB2 HIS 21 HB2 HIS 21 -7.862 -0.755 3.145 161 HB3 HIS 21 HB1 HIS 21 -9.211 -1.871 2.897 162 HD1 HIS 21 HD1 HIS 21 -7.113 -1.463 5.441 163 HD2 HIS 21 HD2 HIS 21 -7.514 -4.664 2.813 164 HE1 HIS 21 HE1 HIS 21 -6.167 -3.416 6.616 165 HE2 HIS 21 HE2 HIS 21 -6.411 -5.345 5.098 166 H GLU 22 HN GLU 22 -7.584 0.554 1.113 167 HA GLU 22 HA GLU 22 -10.127 1.328 0.274 168 HB2 GLU 22 HB2 GLU 22 -7.487 2.643 -0.287 169 HB3 GLU 22 HB1 GLU 22 -9.046 3.441 -0.384 170 HG2 GLU 22 HG2 GLU 22 -7.636 2.427 2.083 171 HG3 GLU 22 HG1 GLU 22 -8.010 4.097 1.670 172 H LEU 23 HN LEU 23 -7.214 0.580 -1.489 173 HA LEU 23 HA LEU 23 -7.891 1.153 -4.113 174 HB2 LEU 23 HB2 LEU 23 -5.674 0.540 -3.271 175 HB3 LEU 23 HB1 LEU 23 -6.229 -1.087 -2.987 176 HG LEU 23 HG LEU 23 -6.337 -1.491 -5.439 177 HD11 LEU 23 HD11 LEU 23 -5.311 1.336 -5.624 178 HD12 LEU 23 HD12 LEU 23 -6.942 0.827 -6.065 179 HD13 LEU 23 HD13 LEU 23 -5.550 0.205 -6.954 180 HD21 LEU 23 HD21 LEU 23 -3.831 -0.196 -4.471 181 HD22 LEU 23 HD22 LEU 23 -3.963 -1.305 -5.841 182 HD23 LEU 23 HD23 LEU 23 -4.298 -1.871 -4.193 183 H PHE 24 HN PHE 24 -8.413 -1.822 -2.274 184 HA PHE 24 HA PHE 24 -9.678 -3.019 -4.504 185 HB2 PHE 24 HB2 PHE 24 -9.191 -4.033 -1.752 186 HB3 PHE 24 HB1 PHE 24 -10.213 -4.912 -2.897 187 HD1 PHE 24 HD1 PHE 24 -9.274 -5.210 -5.238 188 HD2 PHE 24 HD2 PHE 24 -6.940 -4.366 -1.825 189 HE1 PHE 24 HE1 PHE 24 -7.319 -6.051 -6.395 190 HE2 PHE 24 HE2 PHE 24 -4.959 -5.213 -2.949 191 HZ PHE 24 HZ PHE 24 -5.141 -6.066 -5.277 192 H GLU 25 HN GLU 25 -10.942 -1.545 -1.571 193 HA GLU 25 HA GLU 25 -13.545 -2.403 -2.351 194 HB2 GLU 25 HB2 GLU 25 -12.763 -1.638 0.038 195 HB3 GLU 25 HB1 GLU 25 -13.206 -0.037 -0.547 196 HG2 GLU 25 HG2 GLU 25 -15.449 -0.861 -1.102 197 HG3 GLU 25 HG1 GLU 25 -14.997 -2.442 -0.488 198 H GLU 26 HN GLU 26 -11.525 0.201 -3.241 199 HA GLU 26 HA GLU 26 -13.384 1.971 -4.391 200 HB2 GLU 26 HB2 GLU 26 -11.033 2.593 -4.089 201 HB3 GLU 26 HB1 GLU 26 -10.531 1.328 -5.197 202 HG2 GLU 26 HG2 GLU 26 -11.739 2.507 -7.016 203 HG3 GLU 26 HG1 GLU 26 -12.101 3.807 -5.884 204 H HIS 27 HN HIS 27 -11.576 -0.738 -5.751 205 HA HIS 27 HA HIS 27 -12.957 -0.453 -8.274 206 HB2 HIS 27 HB2 HIS 27 -10.913 -2.484 -7.388 207 HB3 HIS 27 HB1 HIS 27 -11.616 -2.427 -9.001 208 HD1 HIS 27 HD1 HIS 27 -8.799 -1.206 -7.111 209 HD2 HIS 27 HD2 HIS 27 -11.070 0.220 -10.285 210 HE1 HIS 27 HE1 HIS 27 -7.390 0.509 -8.230 211 HE2 HIS 27 HE2 HIS 27 -8.891 1.564 -9.908 212 H LYS 28 HN LYS 28 -13.042 -2.655 -5.539 213 HA LYS 28 HA LYS 28 -14.397 -4.300 -4.885 214 HB2 LYS 28 HB2 LYS 28 -16.357 -3.266 -6.976 215 HB3 LYS 28 HB1 LYS 28 -16.754 -4.275 -5.587 216 HG2 LYS 28 HG2 LYS 28 -16.011 -2.448 -4.098 217 HG3 LYS 28 HG1 LYS 28 -15.728 -1.450 -5.514 218 HD2 LYS 28 HD2 LYS 28 -18.121 -1.663 -6.096 219 HD3 LYS 28 HD1 LYS 28 -18.374 -2.565 -4.600 220 HE2 LYS 28 HE2 LYS 28 -17.404 0.286 -4.854 221 HE3 LYS 28 HE1 LYS 28 -18.975 -0.235 -4.261 222 HZ1 LYS 28 HZ1 LYS 28 -17.815 -1.338 -2.392 223 HZ2 LYS 28 HZ2 LYS 28 -17.533 0.317 -2.421 224 HZ3 LYS 28 HZ3 LYS 28 -16.348 -0.734 -2.972 225 H LYS 29 HN LYS 29 -12.416 -4.829 -6.682 226 HA LYS 29 HA LYS 29 -13.369 -7.065 -8.225 227 HB2 LYS 29 HB2 LYS 29 -11.667 -4.821 -9.381 228 HB3 LYS 29 HB1 LYS 29 -12.074 -6.318 -10.195 229 HG2 LYS 29 HG2 LYS 29 -14.099 -4.255 -9.346 230 HG3 LYS 29 HG1 LYS 29 -13.375 -4.323 -10.948 231 HD2 LYS 29 HD2 LYS 29 -14.717 -6.753 -9.843 232 HD3 LYS 29 HD1 LYS 29 -15.709 -5.441 -10.453 233 HE2 LYS 29 HE2 LYS 29 -15.336 -7.110 -12.187 234 HE3 LYS 29 HE1 LYS 29 -14.567 -5.594 -12.623 235 HZ1 LYS 29 HZ1 LYS 29 -12.439 -6.541 -11.960 236 HZ2 LYS 29 HZ2 LYS 29 -13.201 -7.466 -13.127 237 HZ3 LYS 29 HZ3 LYS 29 -13.200 -7.996 -11.536 238 HA PRO 30 HA PRO 30 -9.440 -8.254 -6.337 239 HB2 PRO 30 HB2 PRO 30 -9.396 -10.643 -7.973 240 HB3 PRO 30 HB1 PRO 30 -9.713 -10.491 -6.250 241 HG2 PRO 30 HG2 PRO 30 -11.616 -11.212 -8.069 242 HG3 PRO 30 HG1 PRO 30 -11.977 -10.416 -6.531 243 HD2 PRO 30 HD2 PRO 30 -11.817 -9.258 -9.275 244 HD3 PRO 30 HD1 PRO 30 -12.953 -8.912 -7.945 245 H VAL 31 HN VAL 31 -7.459 -7.701 -6.897 246 HA VAL 31 HA VAL 31 -6.729 -7.735 -9.732 247 HB VAL 31 HB VAL 31 -5.926 -5.590 -7.705 248 HG11 VAL 31 HG11 VAL 31 -5.387 -5.730 -10.655 249 HG12 VAL 31 HG12 VAL 31 -4.212 -5.938 -9.356 250 HG13 VAL 31 HG13 VAL 31 -4.997 -4.376 -9.594 251 HG21 VAL 31 HG21 VAL 31 -7.328 -4.041 -8.993 252 HG22 VAL 31 HG22 VAL 31 -8.288 -5.355 -8.311 253 HG23 VAL 31 HG23 VAL 31 -7.855 -5.375 -10.018 254 HA PRO 32 HA PRO 32 -3.319 -10.345 -8.358 255 HB2 PRO 32 HB2 PRO 32 -1.931 -8.825 -10.528 256 HB3 PRO 32 HB1 PRO 32 -1.980 -10.569 -10.235 257 HG2 PRO 32 HG2 PRO 32 -3.442 -9.515 -12.158 258 HG3 PRO 32 HG1 PRO 32 -4.108 -10.797 -11.130 259 HD2 PRO 32 HD2 PRO 32 -4.652 -7.867 -11.112 260 HD3 PRO 32 HD1 PRO 32 -5.747 -9.230 -10.791 261 H PHE 33 HN PHE 33 -1.653 -10.085 -6.995 262 HA PHE 33 HA PHE 33 -1.263 -7.851 -5.497 263 HB2 PHE 33 HB2 PHE 33 -0.574 -9.914 -4.661 264 HB3 PHE 33 HB1 PHE 33 0.576 -10.214 -5.992 265 HD1 PHE 33 HD1 PHE 33 -0.235 -8.346 -2.951 266 HD2 PHE 33 HD2 PHE 33 2.807 -9.427 -5.705 267 HE1 PHE 33 HE1 PHE 33 1.456 -7.523 -1.391 268 HE2 PHE 33 HE2 PHE 33 4.512 -8.591 -4.151 269 HZ PHE 33 HZ PHE 33 3.813 -7.628 -1.966 270 H GLN 34 HN GLN 34 0.615 -8.786 -8.301 271 HA GLN 34 HA GLN 34 2.519 -6.715 -8.097 272 HB2 GLN 34 HB2 GLN 34 1.618 -8.332 -10.458 273 HB3 GLN 34 HB1 GLN 34 3.025 -7.288 -10.466 274 HG2 GLN 34 HG2 GLN 34 2.599 -9.669 -8.674 275 HG3 GLN 34 HG1 GLN 34 3.612 -9.633 -10.116 276 HE21 GLN 34 HE21 GLN 34 4.736 -7.028 -9.613 277 HE22 GLN 34 HE22 GLN 34 5.809 -7.205 -8.276 278 H GLU 35 HN GLU 35 -0.688 -6.800 -9.527 279 HA GLU 35 HA GLU 35 -0.152 -4.550 -11.230 280 HB2 GLU 35 HB2 GLU 35 -2.619 -6.214 -10.785 281 HB3 GLU 35 HB1 GLU 35 -2.515 -4.880 -11.934 282 HG2 GLU 35 HG2 GLU 35 -0.758 -7.323 -11.980 283 HG3 GLU 35 HG1 GLU 35 -2.198 -7.097 -12.972 284 H LEU 36 HN LEU 36 -1.785 -5.275 -8.255 285 HA LEU 36 HA LEU 36 -3.122 -2.808 -8.004 286 HB2 LEU 36 HB2 LEU 36 -3.535 -3.432 -5.705 287 HB3 LEU 36 HB1 LEU 36 -3.650 -4.876 -6.674 288 HG LEU 36 HG LEU 36 -1.141 -5.197 -5.864 289 HD11 LEU 36 HD11 LEU 36 -2.315 -3.542 -3.647 290 HD12 LEU 36 HD12 LEU 36 -0.976 -3.090 -4.704 291 HD13 LEU 36 HD13 LEU 36 -0.798 -4.440 -3.588 292 HD21 LEU 36 HD21 LEU 36 -2.981 -6.753 -5.433 293 HD22 LEU 36 HD22 LEU 36 -3.493 -5.743 -4.077 294 HD23 LEU 36 HD23 LEU 36 -1.939 -6.558 -4.020 295 H LEU 37 HN LEU 37 0.057 -3.943 -7.155 296 HA LEU 37 HA LEU 37 0.942 -1.655 -5.766 297 HB2 LEU 37 HB2 LEU 37 2.365 -3.892 -7.157 298 HB3 LEU 37 HB1 LEU 37 3.199 -2.633 -6.267 299 HG LEU 37 HG LEU 37 1.089 -4.333 -4.974 300 HD11 LEU 37 HD11 LEU 37 2.692 -5.871 -5.805 301 HD12 LEU 37 HD12 LEU 37 3.018 -5.653 -4.079 302 HD13 LEU 37 HD13 LEU 37 4.020 -4.849 -5.296 303 HD21 LEU 37 HD21 LEU 37 3.401 -2.709 -3.919 304 HD22 LEU 37 HD22 LEU 37 2.293 -3.670 -2.943 305 HD23 LEU 37 HD23 LEU 37 1.696 -2.269 -3.830 306 H ASN 38 HN ASN 38 0.898 -2.578 -9.123 307 HA ASN 38 HA ASN 38 2.685 -0.586 -9.968 308 HB2 ASN 38 HB2 ASN 38 0.677 -2.238 -11.489 309 HB3 ASN 38 HB1 ASN 38 1.592 -0.959 -12.291 310 HD21 ASN 38 HD21 ASN 38 1.758 -3.942 -12.666 311 HD22 ASN 38 HD22 ASN 38 3.395 -4.300 -12.350 312 H GLU 39 HN GLU 39 -0.844 -0.565 -9.744 313 HA GLU 39 HA GLU 39 -0.887 2.112 -10.695 314 HB2 GLU 39 HB2 GLU 39 -3.232 2.216 -9.989 315 HB3 GLU 39 HB1 GLU 39 -2.896 0.813 -10.992 316 HG2 GLU 39 HG2 GLU 39 -2.884 -0.555 -8.941 317 HG3 GLU 39 HG1 GLU 39 -3.323 0.890 -8.021 318 H ILE 40 HN ILE 40 -0.638 0.657 -7.540 319 HA ILE 40 HA ILE 40 -0.943 2.990 -6.043 320 HB ILE 40 HB ILE 40 0.755 0.545 -5.452 321 HG12 ILE 40 HG12 ILE 40 -1.869 1.508 -4.299 322 HG13 ILE 40 HG11 ILE 40 -1.680 0.219 -5.483 323 HG21 ILE 40 HG21 ILE 40 1.746 2.446 -4.271 324 HG22 ILE 40 HG22 ILE 40 0.954 1.357 -3.133 325 HG23 ILE 40 HG23 ILE 40 0.170 2.866 -3.598 326 HD11 ILE 40 HD11 ILE 40 -0.429 -1.083 -3.851 327 HD12 ILE 40 HD12 ILE 40 -2.043 -0.672 -3.273 328 HD13 ILE 40 HD13 ILE 40 -0.634 0.204 -2.659 329 H ALA 41 HN ALA 41 2.026 1.617 -7.462 330 HA ALA 41 HA ALA 41 3.742 3.629 -6.534 331 HB1 ALA 41 HB1 ALA 41 5.327 2.925 -8.168 332 HB2 ALA 41 HB2 ALA 41 4.078 2.051 -9.074 333 HB3 ALA 41 HB3 ALA 41 4.546 1.523 -7.449 334 H SER 42 HN SER 42 1.689 3.590 -9.330 335 HA SER 42 HA SER 42 2.735 6.108 -10.245 336 HB2 SER 42 HB2 SER 42 1.639 4.500 -11.816 337 HB3 SER 42 HB1 SER 42 0.111 4.769 -10.988 338 HG SER 42 HG SER 42 0.611 7.108 -11.569 339 H LEU 43 HN LEU 43 -0.113 5.261 -8.353 340 HA LEU 43 HA LEU 43 -1.022 7.942 -8.224 341 HB2 LEU 43 HB2 LEU 43 -2.398 5.847 -7.959 342 HB3 LEU 43 HB1 LEU 43 -1.673 5.627 -6.389 343 HG LEU 43 HG LEU 43 -4.017 6.558 -6.475 344 HD11 LEU 43 HD11 LEU 43 -1.932 8.159 -5.007 345 HD12 LEU 43 HD12 LEU 43 -2.713 6.677 -4.446 346 HD13 LEU 43 HD13 LEU 43 -3.659 8.153 -4.646 347 HD21 LEU 43 HD21 LEU 43 -3.727 8.119 -8.310 348 HD22 LEU 43 HD22 LEU 43 -2.562 9.047 -7.365 349 HD23 LEU 43 HD23 LEU 43 -4.243 8.981 -6.862 350 H LEU 44 HN LEU 44 0.841 5.906 -6.108 351 HA LEU 44 HA LEU 44 1.365 7.892 -4.087 352 HB2 LEU 44 HB2 LEU 44 1.366 5.233 -4.041 353 HB3 LEU 44 HB1 LEU 44 2.960 5.409 -4.706 354 HG LEU 44 HG LEU 44 1.995 6.189 -1.965 355 HD11 LEU 44 HD11 LEU 44 3.720 4.561 -1.267 356 HD12 LEU 44 HD12 LEU 44 3.982 4.185 -2.981 357 HD13 LEU 44 HD13 LEU 44 2.424 3.865 -2.243 358 HD21 LEU 44 HD21 LEU 44 4.255 6.939 -1.459 359 HD22 LEU 44 HD22 LEU 44 3.582 7.905 -2.779 360 HD23 LEU 44 HD23 LEU 44 4.740 6.619 -3.122 361 H GLY 45 HN GLY 45 2.541 9.509 -4.775 362 HA2 GLY 45 HA2 GLY 45 4.103 9.745 -7.090 363 HA3 GLY 45 HA1 GLY 45 4.238 10.812 -5.716 364 H VAL 46 HN VAL 46 5.241 7.516 -6.568 365 HA VAL 46 HA VAL 46 8.025 8.150 -5.974 366 HB VAL 46 HB VAL 46 8.321 5.933 -4.851 367 HG11 VAL 46 HG11 VAL 46 8.160 7.862 -3.450 368 HG12 VAL 46 HG12 VAL 46 7.323 6.515 -2.675 369 HG13 VAL 46 HG13 VAL 46 6.403 7.790 -3.479 370 HG21 VAL 46 HG21 VAL 46 5.300 5.827 -4.931 371 HG22 VAL 46 HG22 VAL 46 6.314 4.737 -3.979 372 HG23 VAL 46 HG23 VAL 46 6.417 4.736 -5.742 373 H LYS 47 HN LYS 47 9.105 5.702 -6.488 374 HA LYS 47 HA LYS 47 7.936 4.958 -9.037 375 HB2 LYS 47 HB2 LYS 47 10.254 4.382 -9.857 376 HB3 LYS 47 HB1 LYS 47 9.885 6.084 -9.679 377 HG2 LYS 47 HG2 LYS 47 11.147 6.133 -7.590 378 HG3 LYS 47 HG1 LYS 47 11.534 4.423 -7.797 379 HD2 LYS 47 HD2 LYS 47 12.725 4.871 -9.827 380 HD3 LYS 47 HD1 LYS 47 12.215 6.559 -9.812 381 HE2 LYS 47 HE2 LYS 47 14.545 6.323 -9.081 382 HE3 LYS 47 HE1 LYS 47 13.533 6.936 -7.782 383 HZ1 LYS 47 HZ1 LYS 47 15.114 5.219 -7.099 384 HZ2 LYS 47 HZ2 LYS 47 14.329 4.101 -8.093 385 HZ3 LYS 47 HZ3 LYS 47 13.502 4.842 -6.764 386 H LYS 48 HN LYS 48 8.352 2.888 -9.799 387 HA LYS 48 HA LYS 48 7.349 0.899 -8.244 388 HB2 LYS 48 HB2 LYS 48 7.299 0.883 -10.622 389 HB3 LYS 48 HB1 LYS 48 9.043 0.783 -10.712 390 HG2 LYS 48 HG2 LYS 48 8.177 -1.353 -11.263 391 HG3 LYS 48 HG1 LYS 48 8.902 -1.405 -9.652 392 HD2 LYS 48 HD2 LYS 48 6.811 -1.563 -8.575 393 HD3 LYS 48 HD1 LYS 48 5.932 -1.023 -10.007 394 HE2 LYS 48 HE2 LYS 48 6.301 -3.033 -11.134 395 HE3 LYS 48 HE1 LYS 48 7.507 -3.607 -9.954 396 HZ1 LYS 48 HZ1 LYS 48 4.595 -3.267 -9.728 397 HZ2 LYS 48 HZ2 LYS 48 5.600 -3.680 -8.388 398 HZ3 LYS 48 HZ3 LYS 48 5.474 -4.715 -9.721 399 H GLU 49 HN GLU 49 10.775 1.625 -8.654 400 HA GLU 49 HA GLU 49 11.898 -0.826 -7.786 401 HB2 GLU 49 HB2 GLU 49 13.080 1.902 -7.410 402 HB3 GLU 49 HB1 GLU 49 13.937 0.374 -7.529 403 HG2 GLU 49 HG2 GLU 49 13.246 0.139 -9.822 404 HG3 GLU 49 HG1 GLU 49 12.326 1.642 -9.711 405 H GLU 50 HN GLU 50 11.448 2.192 -6.033 406 HA GLU 50 HA GLU 50 12.321 1.125 -3.545 407 HB2 GLU 50 HB2 GLU 50 11.442 3.318 -2.666 408 HB3 GLU 50 HB1 GLU 50 12.684 3.414 -3.908 409 HG2 GLU 50 HG2 GLU 50 10.522 3.508 -5.474 410 HG3 GLU 50 HG1 GLU 50 9.845 4.199 -3.999 411 H LEU 51 HN LEU 51 9.251 1.518 -5.125 412 HA LEU 51 HA LEU 51 7.771 0.739 -2.859 413 HB2 LEU 51 HB2 LEU 51 6.670 1.822 -4.789 414 HB3 LEU 51 HB1 LEU 51 7.031 0.412 -5.774 415 HG LEU 51 HG LEU 51 5.676 -0.954 -4.154 416 HD11 LEU 51 HD11 LEU 51 4.815 1.734 -3.141 417 HD12 LEU 51 HD12 LEU 51 5.687 0.482 -2.252 418 HD13 LEU 51 HD13 LEU 51 4.028 0.200 -2.775 419 HD21 LEU 51 HD21 LEU 51 4.801 -0.257 -6.320 420 HD22 LEU 51 HD22 LEU 51 4.169 1.222 -5.558 421 HD23 LEU 51 HD23 LEU 51 3.549 -0.354 -5.085 422 H GLY 52 HN GLY 52 9.733 -0.907 -5.175 423 HA2 GLY 52 HA2 GLY 52 8.722 -3.531 -4.951 424 HA3 GLY 52 HA1 GLY 52 10.351 -3.090 -5.445 425 H ASP 53 HN ASP 53 11.289 -1.858 -3.236 426 HA ASP 53 HA ASP 53 12.022 -3.905 -1.423 427 HB2 ASP 53 HB2 ASP 53 11.798 -0.945 -0.751 428 HB3 ASP 53 HB1 ASP 53 12.779 -2.130 0.093 429 H ARG 54 HN ARG 54 9.651 -1.418 -1.339 430 HA ARG 54 HA ARG 54 8.475 -2.032 1.143 431 HB2 ARG 54 HB2 ARG 54 8.496 0.139 -0.196 432 HB3 ARG 54 HB1 ARG 54 7.205 -0.569 -1.140 433 HG2 ARG 54 HG2 ARG 54 5.762 -0.631 0.773 434 HG3 ARG 54 HG1 ARG 54 7.082 -0.105 1.830 435 HD2 ARG 54 HD2 ARG 54 7.296 1.919 0.381 436 HD3 ARG 54 HD1 ARG 54 5.792 1.447 -0.403 437 HE ARG 54 HE ARG 54 5.137 1.537 2.204 438 HH11 ARG 54 HH11 ARG 54 6.744 3.805 0.005 439 HH12 ARG 54 HH12 ARG 54 6.278 5.200 0.855 440 HH21 ARG 54 HH21 ARG 54 4.468 3.518 3.395 441 HH22 ARG 54 HH22 ARG 54 5.042 5.012 2.832 442 H ILE 55 HN ILE 55 8.172 -3.472 -1.965 443 HA ILE 55 HA ILE 55 5.522 -4.612 -1.762 444 HB ILE 55 HB ILE 55 7.909 -5.265 -3.518 445 HG12 ILE 55 HG12 ILE 55 5.239 -3.984 -4.104 446 HG13 ILE 55 HG11 ILE 55 6.800 -3.210 -4.094 447 HG21 ILE 55 HG21 ILE 55 6.754 -7.354 -3.161 448 HG22 ILE 55 HG22 ILE 55 6.499 -6.793 -4.815 449 HG23 ILE 55 HG23 ILE 55 5.221 -6.607 -3.612 450 HD11 ILE 55 HD11 ILE 55 7.494 -4.543 -6.055 451 HD12 ILE 55 HD12 ILE 55 6.058 -3.578 -6.373 452 HD13 ILE 55 HD13 ILE 55 5.907 -5.304 -6.068 453 H ALA 56 HN ALA 56 8.759 -5.703 -1.090 454 HA ALA 56 HA ALA 56 7.920 -8.271 -0.230 455 HB1 ALA 56 HB1 ALA 56 10.085 -8.452 0.863 456 HB2 ALA 56 HB2 ALA 56 10.344 -6.718 0.656 457 HB3 ALA 56 HB3 ALA 56 10.254 -7.776 -0.759 458 H GLN 57 HN GLN 57 8.462 -5.229 1.490 459 HA GLN 57 HA GLN 57 7.786 -6.216 4.045 460 HB2 GLN 57 HB2 GLN 57 8.774 -3.865 3.124 461 HB3 GLN 57 HB1 GLN 57 7.109 -3.393 3.418 462 HG2 GLN 57 HG2 GLN 57 9.039 -4.532 5.433 463 HG3 GLN 57 HG1 GLN 57 8.484 -2.867 5.332 464 HE21 GLN 57 HE21 GLN 57 7.683 -6.109 6.256 465 HE22 GLN 57 HE22 GLN 57 6.247 -5.707 7.131 466 H PHE 58 HN PHE 58 5.858 -4.634 1.561 467 HA PHE 58 HA PHE 58 3.358 -4.511 2.789 468 HB2 PHE 58 HB2 PHE 58 3.989 -3.312 0.735 469 HB3 PHE 58 HB1 PHE 58 4.112 -4.834 -0.109 470 HD1 PHE 58 HD1 PHE 58 1.659 -2.665 1.659 471 HD2 PHE 58 HD2 PHE 58 2.354 -5.641 -1.281 472 HE1 PHE 58 HE1 PHE 58 -0.649 -2.422 0.869 473 HE2 PHE 58 HE2 PHE 58 0.056 -5.421 -2.066 474 HZ PHE 58 HZ PHE 58 -1.454 -3.812 -1.005 475 H TYR 59 HN TYR 59 5.001 -7.080 1.145 476 HA TYR 59 HA TYR 59 2.908 -8.880 0.683 477 HB2 TYR 59 HB2 TYR 59 5.506 -8.858 0.096 478 HB3 TYR 59 HB1 TYR 59 5.609 -9.813 1.561 479 HD1 TYR 59 HD2 TYR 59 4.182 -11.985 1.639 480 HD2 TYR 59 HD1 TYR 59 5.005 -9.778 -1.882 481 HE1 TYR 59 HE2 TYR 59 3.658 -13.968 0.278 482 HE2 TYR 59 HE1 TYR 59 4.514 -11.666 -3.247 483 HH TYR 59 HH TYR 59 4.480 -14.140 -2.990 484 H THR 60 HN THR 60 5.276 -8.658 3.352 485 HA THR 60 HA THR 60 4.203 -10.540 5.103 486 HB THR 60 HB THR 60 5.617 -7.949 5.736 487 HG1 THR 60 HG1 THR 60 7.366 -8.808 5.123 488 HG21 THR 60 HG21 THR 60 5.540 -10.585 7.225 489 HG22 THR 60 HG22 THR 60 4.735 -9.094 7.712 490 HG23 THR 60 HG23 THR 60 6.497 -9.174 7.682 491 H ASP 61 HN ASP 61 3.663 -7.121 4.695 492 HA ASP 61 HA ASP 61 2.058 -6.591 6.910 493 HB2 ASP 61 HB2 ASP 61 3.318 -4.985 5.394 494 HB3 ASP 61 HB1 ASP 61 1.957 -5.128 4.292 495 H LEU 62 HN LEU 62 1.214 -7.701 3.687 496 HA LEU 62 HA LEU 62 -1.625 -7.513 4.053 497 HB2 LEU 62 HB2 LEU 62 -0.111 -9.343 2.201 498 HB3 LEU 62 HB1 LEU 62 -1.823 -9.022 2.142 499 HG LEU 62 HG LEU 62 0.416 -7.139 1.442 500 HD11 LEU 62 HD11 LEU 62 -1.824 -8.360 -0.109 501 HD12 LEU 62 HD12 LEU 62 -0.113 -8.813 -0.226 502 HD13 LEU 62 HD13 LEU 62 -0.658 -7.199 -0.730 503 HD21 LEU 62 HD21 LEU 62 -1.277 -5.627 0.764 504 HD22 LEU 62 HD22 LEU 62 -1.319 -5.879 2.523 505 HD23 LEU 62 HD23 LEU 62 -2.534 -6.653 1.455 506 H ASN 63 HN ASN 63 0.796 -9.962 4.594 507 HA ASN 63 HA ASN 63 -0.939 -12.169 4.944 508 HB2 ASN 63 HB2 ASN 63 1.867 -11.805 6.071 509 HB3 ASN 63 HB1 ASN 63 0.966 -13.310 5.994 510 HD21 ASN 63 HD21 ASN 63 -0.074 -12.941 3.341 511 HD22 ASN 63 HD22 ASN 63 1.273 -13.103 2.266 512 H ILE 64 HN ILE 64 0.318 -9.778 7.155 513 HA ILE 64 HA ILE 64 -0.821 -11.119 9.463 514 HB ILE 64 HB ILE 64 0.107 -9.252 10.792 515 HG12 ILE 64 HG12 ILE 64 1.150 -8.244 8.131 516 HG13 ILE 64 HG11 ILE 64 -0.103 -7.476 9.097 517 HG21 ILE 64 HG21 ILE 64 1.452 -11.211 10.411 518 HG22 ILE 64 HG22 ILE 64 2.482 -9.779 10.404 519 HG23 ILE 64 HG23 ILE 64 2.039 -10.557 8.883 520 HD11 ILE 64 HD11 ILE 64 2.015 -6.332 9.353 521 HD12 ILE 64 HD12 ILE 64 2.786 -7.829 9.874 522 HD13 ILE 64 HD13 ILE 64 1.545 -7.080 10.878 523 H ASP 65 HN ASP 65 -2.301 -9.462 7.178 524 HA ASP 65 HA ASP 65 -3.997 -7.925 9.018 525 HB2 ASP 65 HB2 ASP 65 -3.055 -6.526 7.284 526 HB3 ASP 65 HB1 ASP 65 -3.589 -7.643 6.035 527 H GLY 66 HN GLY 66 -6.105 -8.449 9.241 528 HA2 GLY 66 HA2 GLY 66 -6.926 -10.940 7.951 529 HA3 GLY 66 HA1 GLY 66 -7.681 -10.187 9.373 530 H ARG 67 HN ARG 67 -7.270 -7.749 7.263 531 HA ARG 67 HA ARG 67 -10.058 -7.897 6.427 532 HB2 ARG 67 HB2 ARG 67 -8.007 -5.686 6.084 533 HB3 ARG 67 HB1 ARG 67 -9.716 -5.561 5.712 534 HG2 ARG 67 HG2 ARG 67 -8.719 -6.173 8.478 535 HG3 ARG 67 HG1 ARG 67 -8.921 -4.527 7.885 536 HD2 ARG 67 HD2 ARG 67 -11.121 -6.591 7.913 537 HD3 ARG 67 HD1 ARG 67 -10.852 -5.426 9.209 538 HE ARG 67 HE ARG 67 -10.987 -3.911 6.961 539 HH11 ARG 67 HH11 ARG 67 -13.231 -6.288 8.391 540 HH12 ARG 67 HH12 ARG 67 -14.618 -5.445 7.924 541 HH21 ARG 67 HH21 ARG 67 -12.898 -2.772 6.318 542 HH22 ARG 67 HH22 ARG 67 -14.434 -3.370 6.719 543 H PHE 68 HN PHE 68 -6.879 -8.252 5.207 544 HA PHE 68 HA PHE 68 -7.668 -8.314 2.425 545 HB2 PHE 68 HB2 PHE 68 -5.169 -8.162 3.876 546 HB3 PHE 68 HB1 PHE 68 -5.124 -9.333 2.555 547 HD1 PHE 68 HD2 PHE 68 -6.132 -8.562 0.347 548 HD2 PHE 68 HD1 PHE 68 -4.833 -5.956 3.405 549 HE1 PHE 68 HE2 PHE 68 -5.992 -6.761 -1.279 550 HE2 PHE 68 HE1 PHE 68 -4.697 -4.129 1.788 551 HZ PHE 68 HZ PHE 68 -5.296 -4.542 -0.573 552 H LEU 69 HN LEU 69 -7.505 -10.061 1.100 553 HA LEU 69 HA LEU 69 -6.830 -12.613 2.227 554 HB2 LEU 69 HB2 LEU 69 -9.252 -12.463 2.567 555 HB3 LEU 69 HB1 LEU 69 -9.471 -12.106 0.865 556 HG LEU 69 HG LEU 69 -8.489 -14.340 0.334 557 HD11 LEU 69 HD11 LEU 69 -8.433 -16.033 2.112 558 HD12 LEU 69 HD12 LEU 69 -8.701 -14.762 3.305 559 HD13 LEU 69 HD13 LEU 69 -7.231 -14.764 2.329 560 HD21 LEU 69 HD21 LEU 69 -10.882 -13.992 0.327 561 HD22 LEU 69 HD22 LEU 69 -10.956 -14.340 2.053 562 HD23 LEU 69 HD23 LEU 69 -10.488 -15.604 0.918 563 H ALA 70 HN ALA 70 -5.563 -13.576 0.766 564 HA ALA 70 HA ALA 70 -5.540 -12.622 -1.961 565 HB1 ALA 70 HB1 ALA 70 -3.387 -13.319 -1.002 566 HB2 ALA 70 HB2 ALA 70 -3.847 -14.376 -2.348 567 HB3 ALA 70 HB3 ALA 70 -4.046 -14.932 -0.695 568 H LEU 71 HN LEU 71 -6.892 -13.388 -3.402 569 HA LEU 71 HA LEU 71 -8.284 -15.834 -2.977 570 HB2 LEU 71 HB2 LEU 71 -7.829 -14.400 -5.612 571 HB3 LEU 71 HB1 LEU 71 -9.128 -15.516 -5.225 572 HG LEU 71 HG LEU 71 -8.759 -12.696 -4.236 573 HD11 LEU 71 HD11 LEU 71 -9.516 -12.886 -6.504 574 HD12 LEU 71 HD12 LEU 71 -10.760 -12.246 -5.435 575 HD13 LEU 71 HD13 LEU 71 -10.854 -13.921 -5.985 576 HD21 LEU 71 HD21 LEU 71 -10.980 -14.626 -3.566 577 HD22 LEU 71 HD22 LEU 71 -10.915 -12.899 -3.194 578 HD23 LEU 71 HD23 LEU 71 -9.756 -13.996 -2.438 579 H SER 72 HN SER 72 -7.914 -17.614 -4.780 580 HA SER 72 HA SER 72 -5.473 -18.745 -4.088 581 HB2 SER 72 HB2 SER 72 -7.478 -20.041 -4.639 582 HB3 SER 72 HB1 SER 72 -7.326 -19.578 -6.328 583 HG SER 72 HG SER 72 -5.716 -20.904 -6.579 584 H ASP 73 HN ASP 73 -5.899 -16.461 -6.571 585 HA ASP 73 HA ASP 73 -3.547 -17.517 -7.957 586 HB2 ASP 73 HB2 ASP 73 -5.552 -15.517 -9.002 587 HB3 ASP 73 HB1 ASP 73 -4.149 -16.104 -9.880 588 H GLN 74 HN GLN 74 -3.645 -15.803 -5.493 589 HA GLN 74 HA GLN 74 -2.442 -14.129 -4.564 590 HB2 GLN 74 HB2 GLN 74 -0.827 -14.624 -7.035 591 HB3 GLN 74 HB1 GLN 74 -0.500 -13.147 -6.143 592 HG2 GLN 74 HG2 GLN 74 1.025 -14.975 -5.519 593 HG3 GLN 74 HG1 GLN 74 0.066 -14.408 -4.162 594 HE21 GLN 74 HE21 GLN 74 -1.061 -16.584 -6.680 595 HE22 GLN 74 HE22 GLN 74 -1.313 -17.927 -5.626 596 H THR 75 HN THR 75 -4.614 -13.848 -6.384 597 HA THR 75 HA THR 75 -4.595 -11.061 -7.061 598 HB THR 75 HB THR 75 -7.106 -11.800 -7.442 599 HG1 THR 75 HG1 THR 75 -7.331 -14.001 -7.722 600 HG21 THR 75 HG21 THR 75 -5.536 -11.244 -9.261 601 HG22 THR 75 HG22 THR 75 -6.526 -12.641 -9.686 602 HG23 THR 75 HG23 THR 75 -4.854 -12.868 -9.165 603 H TRP 76 HN TRP 76 -4.855 -9.706 -5.376 604 HA TRP 76 HA TRP 76 -5.947 -10.897 -2.972 605 HB2 TRP 76 HB2 TRP 76 -4.286 -8.413 -3.390 606 HB3 TRP 76 HB1 TRP 76 -5.057 -8.801 -1.860 607 HD1 TRP 76 HD1 TRP 76 -2.423 -10.264 -4.256 608 HE1 TRP 76 HE1 TRP 76 -0.718 -11.625 -2.876 609 HE3 TRP 76 HE3 TRP 76 -4.664 -9.926 0.305 610 HZ2 TRP 76 HZ2 TRP 76 -0.385 -12.453 -0.125 611 HZ3 TRP 76 HZ3 TRP 76 -3.613 -11.014 2.233 612 HH2 TRP 76 HH2 TRP 76 -1.525 -12.248 2.014 613 H GLY 77 HN GLY 77 -7.477 -9.936 -1.805 614 HA2 GLY 77 HA2 GLY 77 -8.708 -7.560 -2.730 615 HA3 GLY 77 HA1 GLY 77 -9.682 -9.013 -2.946 616 H LEU 78 HN LEU 78 -11.147 -8.331 -1.478 617 HA LEU 78 HA LEU 78 -10.107 -7.876 1.198 618 HB2 LEU 78 HB2 LEU 78 -12.770 -7.091 0.068 619 HB3 LEU 78 HB1 LEU 78 -12.227 -6.768 1.700 620 HG LEU 78 HG LEU 78 -11.096 -5.626 -0.843 621 HD11 LEU 78 HD11 LEU 78 -13.161 -4.613 -0.190 622 HD12 LEU 78 HD12 LEU 78 -11.821 -3.502 0.099 623 HD13 LEU 78 HD13 LEU 78 -12.557 -4.374 1.448 624 HD21 LEU 78 HD21 LEU 78 -9.249 -6.000 0.661 625 HD22 LEU 78 HD22 LEU 78 -10.144 -5.299 2.000 626 HD23 LEU 78 HD23 LEU 78 -9.634 -4.275 0.654 627 H ARG 79 HN ARG 79 -10.715 -8.921 2.833 628 HA ARG 79 HA ARG 79 -11.470 -11.619 2.554 629 HB2 ARG 79 HB2 ARG 79 -9.934 -10.705 4.236 630 HB3 ARG 79 HB1 ARG 79 -11.254 -9.811 4.957 631 HG2 ARG 79 HG2 ARG 79 -10.999 -11.589 6.359 632 HG3 ARG 79 HG1 ARG 79 -12.321 -12.107 5.320 633 HD2 ARG 79 HD2 ARG 79 -10.779 -13.908 5.671 634 HD3 ARG 79 HD1 ARG 79 -10.711 -13.403 3.983 635 HE ARG 79 HE ARG 79 -8.642 -12.181 4.558 636 HH11 ARG 79 HH11 ARG 79 -9.632 -14.636 6.947 637 HH12 ARG 79 HH12 ARG 79 -8.028 -15.002 7.376 638 HH21 ARG 79 HH21 ARG 79 -6.501 -12.676 5.198 639 HH22 ARG 79 HH22 ARG 79 -6.212 -13.885 6.365 640 H SER 80 HN SER 80 -13.174 -8.676 3.564 641 HA SER 80 HA SER 80 -15.494 -10.179 4.356 642 HB2 SER 80 HB2 SER 80 -14.967 -7.206 4.366 643 HB3 SER 80 HB1 SER 80 -16.326 -8.025 5.137 644 HG SER 80 HG SER 80 -15.052 -8.134 6.773 645 H TRP 81 HN TRP 81 -14.510 -9.665 1.399 646 HA TRP 81 HA TRP 81 -16.743 -8.362 0.118 647 HB2 TRP 81 HB2 TRP 81 -14.548 -10.153 -0.818 648 HB3 TRP 81 HB1 TRP 81 -15.918 -9.854 -1.861 649 HD1 TRP 81 HD1 TRP 81 -15.734 -6.607 -0.593 650 HE1 TRP 81 HE1 TRP 81 -14.161 -5.116 -1.961 651 HE3 TRP 81 HE3 TRP 81 -13.055 -10.267 -2.940 652 HZ2 TRP 81 HZ2 TRP 81 -12.054 -5.449 -3.814 653 HZ3 TRP 81 HZ3 TRP 81 -11.283 -9.589 -4.512 654 HH2 TRP 81 HH2 TRP 81 -10.796 -7.226 -4.928 655 H TYR 82 HN TYR 82 -15.742 -11.651 0.518 656 HA TYR 82 HA TYR 82 -18.293 -12.657 -0.482 657 HB2 TYR 82 HB2 TYR 82 -15.746 -14.184 0.084 658 HB3 TYR 82 HB1 TYR 82 -17.092 -14.684 -0.917 659 HD1 TYR 82 HD1 TYR 82 -17.353 -13.708 -3.204 660 HD2 TYR 82 HD2 TYR 82 -13.997 -12.827 -0.753 661 HE1 TYR 82 HE1 TYR 82 -16.093 -12.955 -5.185 662 HE2 TYR 82 HE2 TYR 82 -12.739 -12.109 -2.645 663 HH TYR 82 HH TYR 82 -12.723 -12.407 -5.068 Start of MODEL 17 1 H1 GLY 2 HT1 GLY 2 -11.218 5.785 0.771 2 H2 GLY 2 HT2 GLY 2 -12.204 7.166 0.907 3 H3 GLY 2 HT3 GLY 2 -10.576 7.222 1.348 4 HA2 GLY 2 HA1 GLY 2 -11.565 6.873 -1.449 5 HA3 GLY 2 HA2 GLY 2 -10.819 8.280 -0.748 6 H ILE 3 HN ILE 3 -9.732 7.000 -2.990 7 HA ILE 3 HA ILE 3 -7.253 6.248 -1.703 8 HB ILE 3 HB ILE 3 -8.368 4.125 -2.300 9 HG12 ILE 3 HG12 ILE 3 -6.479 3.013 -3.297 10 HG13 ILE 3 HG11 ILE 3 -5.824 4.511 -3.915 11 HG21 ILE 3 HG21 ILE 3 -9.572 4.761 -4.278 12 HG22 ILE 3 HG22 ILE 3 -8.543 3.370 -4.615 13 HG23 ILE 3 HG23 ILE 3 -8.061 4.977 -5.159 14 HD11 ILE 3 HD11 ILE 3 -6.153 3.810 -1.007 15 HD12 ILE 3 HD12 ILE 3 -5.430 5.290 -1.649 16 HD13 ILE 3 HD13 ILE 3 -4.665 3.733 -1.941 17 H LYS 4 HN LYS 4 -8.496 7.035 -5.017 18 HA LYS 4 HA LYS 4 -5.878 7.736 -5.905 19 HB2 LYS 4 HB2 LYS 4 -8.583 8.235 -7.142 20 HB3 LYS 4 HB1 LYS 4 -7.082 8.762 -7.861 21 HG2 LYS 4 HG2 LYS 4 -6.321 6.507 -8.132 22 HG3 LYS 4 HG1 LYS 4 -7.705 5.885 -7.230 23 HD2 LYS 4 HD2 LYS 4 -9.225 6.555 -8.936 24 HD3 LYS 4 HD1 LYS 4 -7.987 7.500 -9.756 25 HE2 LYS 4 HE2 LYS 4 -8.478 5.370 -10.900 26 HE3 LYS 4 HE1 LYS 4 -6.804 5.491 -10.376 27 HZ1 LYS 4 HZ1 LYS 4 -7.323 4.069 -8.510 28 HZ2 LYS 4 HZ2 LYS 4 -7.700 3.328 -9.953 29 HZ3 LYS 4 HZ3 LYS 4 -8.939 3.914 -8.982 30 H GLN 5 HN GLN 5 -8.232 9.465 -4.180 31 HA GLN 5 HA GLN 5 -7.232 12.011 -5.097 32 HB2 GLN 5 HB2 GLN 5 -8.967 13.093 -3.830 33 HB3 GLN 5 HB1 GLN 5 -9.653 11.736 -4.687 34 HG2 GLN 5 HG2 GLN 5 -9.247 12.079 -1.722 35 HG3 GLN 5 HG1 GLN 5 -10.716 11.739 -2.619 36 HE21 GLN 5 HE21 GLN 5 -7.973 10.514 -1.066 37 HE22 GLN 5 HE22 GLN 5 -8.333 8.831 -1.218 38 H TYR 6 HN TYR 6 -5.908 9.914 -3.118 39 HA TYR 6 HA TYR 6 -5.015 11.741 -1.051 40 HB2 TYR 6 HB2 TYR 6 -3.986 9.022 -1.868 41 HB3 TYR 6 HB1 TYR 6 -3.296 9.987 -0.586 42 HD1 TYR 6 HD1 TYR 6 -5.755 10.875 0.853 43 HD2 TYR 6 HD2 TYR 6 -4.746 7.135 -0.856 44 HE1 TYR 6 HE1 TYR 6 -7.128 9.727 2.536 45 HE2 TYR 6 HE2 TYR 6 -6.114 5.985 0.794 46 HH TYR 6 HH TYR 6 -8.344 7.471 2.681 47 H SER 7 HN SER 7 -2.791 12.410 -0.824 48 HA SER 7 HA SER 7 -1.229 12.648 -3.348 49 HB2 SER 7 HB2 SER 7 -0.921 14.234 -0.780 50 HB3 SER 7 HB1 SER 7 -0.271 14.598 -2.377 51 HG SER 7 HG SER 7 -3.039 14.411 -2.127 52 H GLN 8 HN GLN 8 1.252 12.947 -2.558 53 HA GLN 8 HA GLN 8 1.869 10.218 -2.236 54 HB2 GLN 8 HB2 GLN 8 3.261 11.660 -3.540 55 HB3 GLN 8 HB1 GLN 8 3.681 12.608 -2.108 56 HG2 GLN 8 HG2 GLN 8 4.535 10.506 -1.106 57 HG3 GLN 8 HG1 GLN 8 4.288 9.760 -2.678 58 HE21 GLN 8 HE21 GLN 8 5.150 12.322 -4.029 59 HE22 GLN 8 HE22 GLN 8 6.856 12.363 -3.815 60 H GLU 9 HN GLU 9 2.408 13.005 -0.118 61 HA GLU 9 HA GLU 9 3.810 11.498 1.812 62 HB2 GLU 9 HB2 GLU 9 3.697 13.438 3.283 63 HB3 GLU 9 HB1 GLU 9 4.034 13.976 1.654 64 HG2 GLU 9 HG2 GLU 9 1.364 14.124 3.047 65 HG3 GLU 9 HG1 GLU 9 2.496 15.456 2.852 66 H GLU 10 HN GLU 10 0.532 12.395 1.414 67 HA GLU 10 HA GLU 10 -0.796 11.587 3.679 68 HB2 GLU 10 HB2 GLU 10 -1.656 12.617 1.580 69 HB3 GLU 10 HB1 GLU 10 -1.589 11.035 0.828 70 HG2 GLU 10 HG2 GLU 10 -3.791 11.152 1.466 71 HG3 GLU 10 HG1 GLU 10 -3.090 10.372 2.884 72 H LEU 11 HN LEU 11 -0.062 9.663 0.804 73 HA LEU 11 HA LEU 11 -1.084 7.152 1.702 74 HB2 LEU 11 HB2 LEU 11 0.762 7.974 -0.504 75 HB3 LEU 11 HB1 LEU 11 0.178 6.337 -0.301 76 HG LEU 11 HG LEU 11 -1.777 8.587 -0.583 77 HD11 LEU 11 HD11 LEU 11 -0.185 8.821 -2.428 78 HD12 LEU 11 HD12 LEU 11 -1.754 8.239 -2.982 79 HD13 LEU 11 HD13 LEU 11 -0.404 7.117 -2.823 80 HD21 LEU 11 HD21 LEU 11 -3.015 6.750 -1.715 81 HD22 LEU 11 HD22 LEU 11 -2.720 6.534 0.002 82 HD23 LEU 11 HD23 LEU 11 -1.740 5.646 -1.181 83 H LYS 12 HN LYS 12 1.986 8.679 1.603 84 HA LYS 12 HA LYS 12 3.735 6.514 1.800 85 HB2 LYS 12 HB2 LYS 12 3.900 9.084 1.212 86 HB3 LYS 12 HB1 LYS 12 4.396 9.181 2.887 87 HG2 LYS 12 HG2 LYS 12 6.247 7.659 2.419 88 HG3 LYS 12 HG1 LYS 12 5.681 7.534 0.750 89 HD2 LYS 12 HD2 LYS 12 5.981 9.907 0.421 90 HD3 LYS 12 HD1 LYS 12 6.481 10.097 2.098 91 HE2 LYS 12 HE2 LYS 12 8.430 8.716 1.678 92 HE3 LYS 12 HE1 LYS 12 7.916 8.480 0.005 93 HZ1 LYS 12 HZ1 LYS 12 9.573 10.198 0.164 94 HZ2 LYS 12 HZ2 LYS 12 8.623 11.075 1.258 95 HZ3 LYS 12 HZ3 LYS 12 8.110 10.872 -0.338 96 H GLU 13 HN GLU 13 1.941 8.264 4.243 97 HA GLU 13 HA GLU 13 3.567 7.016 6.329 98 HB2 GLU 13 HB2 GLU 13 2.588 8.733 7.836 99 HB3 GLU 13 HB1 GLU 13 3.611 9.354 6.549 100 HG2 GLU 13 HG2 GLU 13 1.573 9.915 5.270 101 HG3 GLU 13 HG1 GLU 13 0.612 9.389 6.653 102 H MET 14 HN MET 14 0.886 6.228 4.781 103 HA MET 14 HA MET 14 -0.508 5.391 7.230 104 HB2 MET 14 HB2 MET 14 -1.508 5.590 4.388 105 HB3 MET 14 HB1 MET 14 -2.435 4.861 5.691 106 HG2 MET 14 HG2 MET 14 -2.397 7.019 6.879 107 HG3 MET 14 HG1 MET 14 -1.529 7.727 5.520 108 HE1 MET 14 HE1 MET 14 -2.983 6.360 3.004 109 HE2 MET 14 HE2 MET 14 -2.578 8.070 3.126 110 HE3 MET 14 HE3 MET 14 -4.212 7.581 2.673 111 H ALA 15 HN ALA 15 -1.437 3.161 7.171 112 HA ALA 15 HA ALA 15 0.600 1.303 6.557 113 HB1 ALA 15 HB1 ALA 15 -2.324 0.793 7.145 114 HB2 ALA 15 HB2 ALA 15 -1.045 0.932 8.352 115 HB3 ALA 15 HB3 ALA 15 -1.034 -0.409 7.206 116 H LEU 16 HN LEU 16 0.945 0.117 4.799 117 HA LEU 16 HA LEU 16 -0.417 1.001 2.506 118 HB2 LEU 16 HB2 LEU 16 1.098 -0.501 1.140 119 HB3 LEU 16 HB1 LEU 16 1.826 0.827 2.002 120 HG LEU 16 HG LEU 16 1.965 -2.056 2.952 121 HD11 LEU 16 HD11 LEU 16 3.939 -0.423 1.350 122 HD12 LEU 16 HD12 LEU 16 2.992 -1.776 0.734 123 HD13 LEU 16 HD13 LEU 16 4.210 -2.046 1.981 124 HD21 LEU 16 HD21 LEU 16 3.552 0.424 3.648 125 HD22 LEU 16 HD22 LEU 16 3.949 -1.206 4.159 126 HD23 LEU 16 HD23 LEU 16 2.472 -0.459 4.737 127 H VAL 17 HN VAL 17 -0.753 -1.860 4.364 128 HA VAL 17 HA VAL 17 -2.358 -3.267 2.610 129 HB VAL 17 HB VAL 17 -1.611 -4.175 4.776 130 HG11 VAL 17 HG11 VAL 17 -3.591 -2.294 6.030 131 HG12 VAL 17 HG12 VAL 17 -1.834 -2.241 6.177 132 HG13 VAL 17 HG13 VAL 17 -2.735 -3.588 6.872 133 HG21 VAL 17 HG21 VAL 17 -3.492 -5.273 3.703 134 HG22 VAL 17 HG22 VAL 17 -4.616 -4.171 4.497 135 HG23 VAL 17 HG23 VAL 17 -3.686 -5.322 5.455 136 H GLU 18 HN GLU 18 -3.187 -0.439 4.595 137 HA GLU 18 HA GLU 18 -5.946 -0.583 3.921 138 HB2 GLU 18 HB2 GLU 18 -4.306 1.359 5.421 139 HB3 GLU 18 HB1 GLU 18 -5.770 1.986 4.673 140 HG2 GLU 18 HG2 GLU 18 -5.577 -0.295 6.617 141 HG3 GLU 18 HG1 GLU 18 -6.248 1.313 6.923 142 H ILE 19 HN ILE 19 -3.198 1.009 2.618 143 HA ILE 19 HA ILE 19 -4.438 2.717 0.756 144 HB ILE 19 HB ILE 19 -1.899 1.101 0.332 145 HG12 ILE 19 HG12 ILE 19 -1.771 2.359 2.432 146 HG13 ILE 19 HG11 ILE 19 -0.663 3.040 1.238 147 HG21 ILE 19 HG21 ILE 19 -1.225 2.913 -1.185 148 HG22 ILE 19 HG22 ILE 19 -2.791 3.684 -0.923 149 HG23 ILE 19 HG23 ILE 19 -2.710 2.114 -1.719 150 HD11 ILE 19 HD11 ILE 19 -2.327 4.796 0.829 151 HD12 ILE 19 HD12 ILE 19 -1.715 4.762 2.480 152 HD13 ILE 19 HD13 ILE 19 -3.326 4.122 2.122 153 H ALA 20 HN ALA 20 -3.364 -0.589 0.525 154 HA ALA 20 HA ALA 20 -4.460 -1.155 -1.988 155 HB1 ALA 20 HB1 ALA 20 -2.680 -2.498 -0.961 156 HB2 ALA 20 HB2 ALA 20 -4.049 -3.493 -1.456 157 HB3 ALA 20 HB3 ALA 20 -3.827 -3.082 0.244 158 H HIS 21 HN HIS 21 -5.785 -1.638 1.317 159 HA HIS 21 HA HIS 21 -8.155 -2.865 0.663 160 HB2 HIS 21 HB2 HIS 21 -7.626 -2.598 2.988 161 HB3 HIS 21 HB1 HIS 21 -7.525 -0.844 2.786 162 HD1 HIS 21 HD1 HIS 21 -9.325 0.075 4.229 163 HD2 HIS 21 HD2 HIS 21 -10.630 -3.229 2.094 164 HE1 HIS 21 HE1 HIS 21 -11.807 0.003 4.544 165 HE2 HIS 21 HE2 HIS 21 -12.552 -1.716 2.910 166 H GLU 22 HN GLU 22 -7.668 0.663 0.851 167 HA GLU 22 HA GLU 22 -10.241 1.351 -0.034 168 HB2 GLU 22 HB2 GLU 22 -7.627 2.787 -0.159 169 HB3 GLU 22 HB1 GLU 22 -9.149 3.540 -0.626 170 HG2 GLU 22 HG2 GLU 22 -8.539 2.418 2.105 171 HG3 GLU 22 HG1 GLU 22 -8.507 4.129 1.672 172 H LEU 23 HN LEU 23 -7.311 0.678 -1.751 173 HA LEU 23 HA LEU 23 -7.949 1.379 -4.372 174 HB2 LEU 23 HB2 LEU 23 -5.749 0.738 -3.494 175 HB3 LEU 23 HB1 LEU 23 -6.325 -0.879 -3.234 176 HG LEU 23 HG LEU 23 -6.258 -1.333 -5.662 177 HD11 LEU 23 HD11 LEU 23 -7.021 0.956 -6.331 178 HD12 LEU 23 HD12 LEU 23 -5.605 0.376 -7.197 179 HD13 LEU 23 HD13 LEU 23 -5.420 1.558 -5.898 180 HD21 LEU 23 HD21 LEU 23 -3.898 0.196 -4.658 181 HD22 LEU 23 HD22 LEU 23 -3.896 -1.033 -5.943 182 HD23 LEU 23 HD23 LEU 23 -4.266 -1.479 -4.269 183 H PHE 24 HN PHE 24 -8.416 -1.632 -2.613 184 HA PHE 24 HA PHE 24 -9.809 -2.861 -4.766 185 HB2 PHE 24 HB2 PHE 24 -9.202 -3.720 -1.972 186 HB3 PHE 24 HB1 PHE 24 -10.273 -4.665 -3.005 187 HD1 PHE 24 HD1 PHE 24 -6.859 -3.348 -2.672 188 HD2 PHE 24 HD2 PHE 24 -9.447 -5.960 -4.733 189 HE1 PHE 24 HE1 PHE 24 -4.919 -4.392 -3.755 190 HE2 PHE 24 HE2 PHE 24 -7.546 -7.014 -5.809 191 HZ PHE 24 HZ PHE 24 -5.268 -6.240 -5.330 192 H GLU 25 HN GLU 25 -10.793 -1.006 -2.061 193 HA GLU 25 HA GLU 25 -13.530 -1.706 -2.104 194 HB2 GLU 25 HB2 GLU 25 -12.180 0.865 -1.311 195 HB3 GLU 25 HB1 GLU 25 -13.901 0.568 -1.106 196 HG2 GLU 25 HG2 GLU 25 -11.752 -1.142 0.090 197 HG3 GLU 25 HG1 GLU 25 -12.499 0.216 0.919 198 H GLU 26 HN GLU 26 -11.682 0.708 -3.826 199 HA GLU 26 HA GLU 26 -13.844 1.850 -5.259 200 HB2 GLU 26 HB2 GLU 26 -11.658 2.955 -5.041 201 HB3 GLU 26 HB1 GLU 26 -10.918 1.666 -5.983 202 HG2 GLU 26 HG2 GLU 26 -12.491 2.300 -7.846 203 HG3 GLU 26 HG1 GLU 26 -12.878 3.733 -6.899 204 H HIS 27 HN HIS 27 -11.404 -0.547 -6.095 205 HA HIS 27 HA HIS 27 -12.405 -0.999 -8.692 206 HB2 HIS 27 HB2 HIS 27 -10.397 -2.497 -7.031 207 HB3 HIS 27 HB1 HIS 27 -10.924 -3.133 -8.575 208 HD1 HIS 27 HD1 HIS 27 -10.047 -1.948 -10.703 209 HD2 HIS 27 HD2 HIS 27 -8.720 -0.202 -7.179 210 HE1 HIS 27 HE1 HIS 27 -8.116 -0.497 -11.360 211 HE2 HIS 27 HE2 HIS 27 -7.147 0.279 -9.223 212 H LYS 28 HN LYS 28 -12.917 -2.867 -5.662 213 HA LYS 28 HA LYS 28 -14.252 -4.597 -5.137 214 HB2 LYS 28 HB2 LYS 28 -15.980 -3.349 -7.293 215 HB3 LYS 28 HB1 LYS 28 -16.536 -4.625 -6.222 216 HG2 LYS 28 HG2 LYS 28 -16.233 -3.236 -4.288 217 HG3 LYS 28 HG1 LYS 28 -15.496 -1.972 -5.262 218 HD2 LYS 28 HD2 LYS 28 -18.315 -2.911 -5.739 219 HD3 LYS 28 HD1 LYS 28 -17.933 -1.697 -4.530 220 HE2 LYS 28 HE2 LYS 28 -18.632 -0.602 -6.588 221 HE3 LYS 28 HE1 LYS 28 -16.937 -0.273 -6.278 222 HZ1 LYS 28 HZ1 LYS 28 -16.323 -1.835 -7.998 223 HZ2 LYS 28 HZ2 LYS 28 -17.471 -0.773 -8.619 224 HZ3 LYS 28 HZ3 LYS 28 -17.924 -2.326 -8.178 225 H LYS 29 HN LYS 29 -12.232 -5.026 -6.808 226 HA LYS 29 HA LYS 29 -12.984 -7.334 -8.400 227 HB2 LYS 29 HB2 LYS 29 -12.900 -5.741 -10.081 228 HB3 LYS 29 HB1 LYS 29 -11.738 -4.760 -9.235 229 HG2 LYS 29 HG2 LYS 29 -10.721 -5.589 -11.211 230 HG3 LYS 29 HG1 LYS 29 -9.990 -6.421 -9.850 231 HD2 LYS 29 HD2 LYS 29 -11.294 -8.386 -10.303 232 HD3 LYS 29 HD1 LYS 29 -12.176 -7.554 -11.589 233 HE2 LYS 29 HE2 LYS 29 -9.210 -8.114 -11.535 234 HE3 LYS 29 HE1 LYS 29 -10.404 -8.973 -12.504 235 HZ1 LYS 29 HZ1 LYS 29 -9.203 -7.259 -13.782 236 HZ2 LYS 29 HZ2 LYS 29 -9.831 -6.049 -12.790 237 HZ3 LYS 29 HZ3 LYS 29 -10.851 -6.970 -13.728 238 HA PRO 30 HA PRO 30 -9.260 -8.529 -6.067 239 HB2 PRO 30 HB2 PRO 30 -9.062 -11.042 -7.162 240 HB3 PRO 30 HB1 PRO 30 -10.116 -10.638 -5.800 241 HG2 PRO 30 HG2 PRO 30 -10.810 -10.931 -8.693 242 HG3 PRO 30 HG1 PRO 30 -11.708 -11.475 -7.266 243 HD2 PRO 30 HD2 PRO 30 -12.368 -9.238 -8.627 244 HD3 PRO 30 HD1 PRO 30 -12.602 -9.389 -6.877 245 H VAL 31 HN VAL 31 -7.174 -8.348 -6.694 246 HA VAL 31 HA VAL 31 -6.712 -8.066 -9.566 247 HB VAL 31 HB VAL 31 -5.808 -6.168 -7.359 248 HG11 VAL 31 HG11 VAL 31 -5.220 -6.021 -10.302 249 HG12 VAL 31 HG12 VAL 31 -4.063 -6.405 -9.027 250 HG13 VAL 31 HG13 VAL 31 -4.798 -4.803 -9.097 251 HG21 VAL 31 HG21 VAL 31 -7.116 -4.476 -8.544 252 HG22 VAL 31 HG22 VAL 31 -8.128 -5.814 -7.997 253 HG23 VAL 31 HG23 VAL 31 -7.657 -5.699 -9.694 254 HA PRO 32 HA PRO 32 -3.141 -10.700 -8.779 255 HB2 PRO 32 HB2 PRO 32 -2.042 -9.042 -11.015 256 HB3 PRO 32 HB1 PRO 32 -2.060 -10.802 -10.837 257 HG2 PRO 32 HG2 PRO 32 -3.748 -9.655 -12.505 258 HG3 PRO 32 HG1 PRO 32 -4.303 -10.969 -11.450 259 HD2 PRO 32 HD2 PRO 32 -4.705 -8.022 -11.174 260 HD3 PRO 32 HD1 PRO 32 -5.851 -9.352 -10.890 261 H PHE 33 HN PHE 33 -1.127 -10.421 -7.865 262 HA PHE 33 HA PHE 33 -0.909 -8.283 -6.106 263 HB2 PHE 33 HB2 PHE 33 -0.048 -10.568 -5.725 264 HB3 PHE 33 HB1 PHE 33 1.214 -10.267 -6.922 265 HD1 PHE 33 HD2 PHE 33 -0.061 -9.305 -3.592 266 HD2 PHE 33 HD1 PHE 33 3.187 -9.128 -6.323 267 HE1 PHE 33 HE2 PHE 33 1.389 -8.445 -1.805 268 HE2 PHE 33 HE1 PHE 33 4.644 -8.279 -4.549 269 HZ PHE 33 HZ PHE 33 3.748 -7.933 -2.277 270 H GLN 34 HN GLN 34 0.597 -8.833 -9.200 271 HA GLN 34 HA GLN 34 2.572 -6.815 -8.962 272 HB2 GLN 34 HB2 GLN 34 2.280 -8.886 -10.598 273 HB3 GLN 34 HB1 GLN 34 1.515 -7.689 -11.619 274 HG2 GLN 34 HG2 GLN 34 4.346 -7.555 -10.571 275 HG3 GLN 34 HG1 GLN 34 3.876 -8.065 -12.183 276 HE21 GLN 34 HE21 GLN 34 4.410 -5.403 -10.064 277 HE22 GLN 34 HE22 GLN 34 4.176 -4.166 -11.229 278 H GLU 35 HN GLU 35 -0.868 -6.711 -10.066 279 HA GLU 35 HA GLU 35 -0.455 -4.211 -11.414 280 HB2 GLU 35 HB2 GLU 35 -2.971 -5.748 -10.786 281 HB3 GLU 35 HB1 GLU 35 -2.939 -4.212 -11.636 282 HG2 GLU 35 HG2 GLU 35 -1.617 -5.260 -13.415 283 HG3 GLU 35 HG1 GLU 35 -1.734 -6.805 -12.565 284 H LEU 36 HN LEU 36 -1.726 -5.405 -8.401 285 HA LEU 36 HA LEU 36 -2.805 -2.949 -7.597 286 HB2 LEU 36 HB2 LEU 36 -2.962 -3.925 -5.319 287 HB3 LEU 36 HB1 LEU 36 -3.635 -4.943 -6.559 288 HG LEU 36 HG LEU 36 -1.392 -6.217 -6.446 289 HD11 LEU 36 HD11 LEU 36 -1.287 -4.871 -3.767 290 HD12 LEU 36 HD12 LEU 36 -0.191 -4.585 -5.119 291 HD13 LEU 36 HD13 LEU 36 -0.243 -6.174 -4.353 292 HD21 LEU 36 HD21 LEU 36 -3.461 -7.199 -5.723 293 HD22 LEU 36 HD22 LEU 36 -3.377 -6.327 -4.190 294 HD23 LEU 36 HD23 LEU 36 -2.198 -7.584 -4.554 295 H LEU 37 HN LEU 37 0.432 -4.237 -7.347 296 HA LEU 37 HA LEU 37 1.451 -2.270 -5.583 297 HB2 LEU 37 HB2 LEU 37 2.695 -3.990 -7.679 298 HB3 LEU 37 HB1 LEU 37 3.652 -2.956 -6.618 299 HG LEU 37 HG LEU 37 1.904 -5.270 -5.792 300 HD11 LEU 37 HD11 LEU 37 4.887 -5.008 -6.033 301 HD12 LEU 37 HD12 LEU 37 3.832 -5.988 -7.052 302 HD13 LEU 37 HD13 LEU 37 4.025 -6.383 -5.346 303 HD21 LEU 37 HD21 LEU 37 3.788 -3.511 -4.217 304 HD22 LEU 37 HD22 LEU 37 3.065 -5.002 -3.626 305 HD23 LEU 37 HD23 LEU 37 2.038 -3.629 -4.021 306 H ASN 38 HN ASN 38 1.313 -2.597 -9.076 307 HA ASN 38 HA ASN 38 2.532 -0.192 -9.786 308 HB2 ASN 38 HB2 ASN 38 0.520 -1.938 -11.150 309 HB3 ASN 38 HB1 ASN 38 1.036 -0.431 -11.890 310 HD21 ASN 38 HD21 ASN 38 1.964 -1.529 -13.590 311 HD22 ASN 38 HD22 ASN 38 3.437 -2.426 -13.413 312 H GLU 39 HN GLU 39 -0.843 -0.911 -9.120 313 HA GLU 39 HA GLU 39 -2.030 1.577 -9.520 314 HB2 GLU 39 HB2 GLU 39 -2.513 -0.495 -7.390 315 HB3 GLU 39 HB1 GLU 39 -3.566 0.881 -7.652 316 HG2 GLU 39 HG2 GLU 39 -2.999 -1.179 -9.766 317 HG3 GLU 39 HG1 GLU 39 -4.303 -1.347 -8.596 318 H ILE 40 HN ILE 40 -0.654 0.231 -6.538 319 HA ILE 40 HA ILE 40 -0.886 2.458 -4.882 320 HB ILE 40 HB ILE 40 1.182 0.234 -4.780 321 HG12 ILE 40 HG12 ILE 40 -1.389 0.560 -3.213 322 HG13 ILE 40 HG11 ILE 40 -1.207 -0.474 -4.624 323 HG21 ILE 40 HG21 ILE 40 1.493 0.824 -2.416 324 HG22 ILE 40 HG22 ILE 40 0.410 2.202 -2.622 325 HG23 ILE 40 HG23 ILE 40 1.947 2.153 -3.485 326 HD11 ILE 40 HD11 ILE 40 0.267 -0.774 -2.010 327 HD12 ILE 40 HD12 ILE 40 0.452 -1.809 -3.427 328 HD13 ILE 40 HD13 ILE 40 -1.085 -1.763 -2.567 329 H ALA 41 HN ALA 41 1.895 1.431 -6.812 330 HA ALA 41 HA ALA 41 3.583 3.530 -6.052 331 HB1 ALA 41 HB1 ALA 41 4.326 1.444 -7.099 332 HB2 ALA 41 HB2 ALA 41 5.001 2.893 -7.840 333 HB3 ALA 41 HB3 ALA 41 3.684 2.017 -8.644 334 H SER 42 HN SER 42 1.156 3.377 -8.551 335 HA SER 42 HA SER 42 1.858 5.938 -9.672 336 HB2 SER 42 HB2 SER 42 0.661 4.142 -10.972 337 HB3 SER 42 HB1 SER 42 -0.723 4.356 -9.911 338 HG SER 42 HG SER 42 -0.526 6.696 -10.709 339 H LEU 43 HN LEU 43 -0.384 4.857 -7.216 340 HA LEU 43 HA LEU 43 -1.734 7.276 -6.826 341 HB2 LEU 43 HB2 LEU 43 -0.975 5.164 -4.810 342 HB3 LEU 43 HB1 LEU 43 -2.134 6.442 -4.521 343 HG LEU 43 HG LEU 43 -2.451 4.286 -6.607 344 HD11 LEU 43 HD11 LEU 43 -3.710 4.585 -3.894 345 HD12 LEU 43 HD12 LEU 43 -2.523 3.369 -4.342 346 HD13 LEU 43 HD13 LEU 43 -4.122 3.361 -5.091 347 HD21 LEU 43 HD21 LEU 43 -4.774 5.090 -6.680 348 HD22 LEU 43 HD22 LEU 43 -3.629 6.333 -7.174 349 HD23 LEU 43 HD23 LEU 43 -4.343 6.382 -5.560 350 H LEU 44 HN LEU 44 1.164 6.001 -5.288 351 HA LEU 44 HA LEU 44 1.727 8.512 -3.989 352 HB2 LEU 44 HB2 LEU 44 3.429 6.041 -4.370 353 HB3 LEU 44 HB1 LEU 44 3.992 7.469 -3.544 354 HG LEU 44 HG LEU 44 2.144 7.025 -1.842 355 HD11 LEU 44 HD11 LEU 44 2.122 4.358 -3.223 356 HD12 LEU 44 HD12 LEU 44 0.789 5.497 -3.188 357 HD13 LEU 44 HD13 LEU 44 1.332 4.727 -1.690 358 HD21 LEU 44 HD21 LEU 44 3.475 5.318 -0.696 359 HD22 LEU 44 HD22 LEU 44 4.482 6.586 -1.403 360 HD23 LEU 44 HD23 LEU 44 4.349 5.016 -2.199 361 H GLY 45 HN GLY 45 2.908 10.089 -4.840 362 HA2 GLY 45 HA2 GLY 45 3.879 9.980 -7.553 363 HA3 GLY 45 HA1 GLY 45 4.157 11.306 -6.431 364 H VAL 46 HN VAL 46 5.131 7.887 -6.665 365 HA VAL 46 HA VAL 46 7.910 8.663 -6.047 366 HB VAL 46 HB VAL 46 8.178 6.625 -4.742 367 HG11 VAL 46 HG11 VAL 46 5.853 8.283 -3.815 368 HG12 VAL 46 HG12 VAL 46 7.561 8.577 -3.501 369 HG13 VAL 46 HG13 VAL 46 6.764 7.168 -2.797 370 HG21 VAL 46 HG21 VAL 46 6.603 5.153 -5.830 371 HG22 VAL 46 HG22 VAL 46 5.253 6.145 -5.301 372 HG23 VAL 46 HG23 VAL 46 6.197 5.240 -4.112 373 H LYS 47 HN LYS 47 9.356 6.576 -6.470 374 HA LYS 47 HA LYS 47 8.763 5.703 -9.214 375 HB2 LYS 47 HB2 LYS 47 11.301 5.193 -7.667 376 HB3 LYS 47 HB1 LYS 47 11.065 5.140 -9.404 377 HG2 LYS 47 HG2 LYS 47 10.673 7.627 -9.320 378 HG3 LYS 47 HG1 LYS 47 11.176 7.563 -7.631 379 HD2 LYS 47 HD2 LYS 47 13.160 8.117 -8.770 380 HD3 LYS 47 HD1 LYS 47 13.265 6.371 -8.514 381 HE2 LYS 47 HE2 LYS 47 13.941 6.937 -10.779 382 HE3 LYS 47 HE1 LYS 47 12.474 5.964 -10.780 383 HZ1 LYS 47 HZ1 LYS 47 11.166 7.943 -11.207 384 HZ2 LYS 47 HZ2 LYS 47 12.403 7.859 -12.345 385 HZ3 LYS 47 HZ3 LYS 47 12.533 8.918 -11.048 386 H LYS 48 HN LYS 48 9.266 3.395 -9.723 387 HA LYS 48 HA LYS 48 7.896 1.675 -7.949 388 HB2 LYS 48 HB2 LYS 48 7.969 1.258 -10.390 389 HB3 LYS 48 HB1 LYS 48 9.692 0.917 -10.272 390 HG2 LYS 48 HG2 LYS 48 8.734 -1.219 -10.297 391 HG3 LYS 48 HG1 LYS 48 9.029 -0.871 -8.589 392 HD2 LYS 48 HD2 LYS 48 6.854 -1.601 -8.352 393 HD3 LYS 48 HD1 LYS 48 6.485 0.054 -8.808 394 HE2 LYS 48 HE2 LYS 48 6.605 -2.331 -10.648 395 HE3 LYS 48 HE1 LYS 48 5.155 -1.521 -10.076 396 HZ1 LYS 48 HZ1 LYS 48 7.230 -0.304 -11.810 397 HZ2 LYS 48 HZ2 LYS 48 5.798 0.448 -11.337 398 HZ3 LYS 48 HZ3 LYS 48 5.766 -0.912 -12.326 399 H GLU 49 HN GLU 49 11.225 2.533 -8.275 400 HA GLU 49 HA GLU 49 12.588 0.336 -7.212 401 HB2 GLU 49 HB2 GLU 49 13.234 3.236 -6.746 402 HB3 GLU 49 HB1 GLU 49 14.351 1.883 -6.665 403 HG2 GLU 49 HG2 GLU 49 14.011 1.503 -9.075 404 HG3 GLU 49 HG1 GLU 49 12.935 2.895 -9.105 405 H GLU 50 HN GLU 50 11.601 3.251 -5.475 406 HA GLU 50 HA GLU 50 12.265 2.305 -2.895 407 HB2 GLU 50 HB2 GLU 50 11.113 4.358 -2.157 408 HB3 GLU 50 HB1 GLU 50 12.265 4.659 -3.450 409 HG2 GLU 50 HG2 GLU 50 10.314 4.535 -5.051 410 HG3 GLU 50 HG1 GLU 50 9.283 4.531 -3.634 411 H LEU 51 HN LEU 51 9.386 2.263 -4.841 412 HA LEU 51 HA LEU 51 7.684 1.434 -2.724 413 HB2 LEU 51 HB2 LEU 51 7.063 2.628 -4.954 414 HB3 LEU 51 HB1 LEU 51 7.252 1.025 -5.636 415 HG LEU 51 HG LEU 51 4.866 1.821 -5.213 416 HD11 LEU 51 HD11 LEU 51 4.028 -0.332 -4.446 417 HD12 LEU 51 HD12 LEU 51 5.660 -0.792 -3.960 418 HD13 LEU 51 HD13 LEU 51 5.292 -0.514 -5.662 419 HD21 LEU 51 HD21 LEU 51 5.204 2.838 -3.044 420 HD22 LEU 51 HD22 LEU 51 5.607 1.265 -2.348 421 HD23 LEU 51 HD23 LEU 51 3.982 1.571 -2.953 422 H GLY 52 HN GLY 52 9.972 -0.019 -4.824 423 HA2 GLY 52 HA2 GLY 52 9.142 -2.715 -4.780 424 HA3 GLY 52 HA1 GLY 52 10.784 -2.138 -5.058 425 H ASP 53 HN ASP 53 11.313 -0.819 -2.798 426 HA ASP 53 HA ASP 53 11.929 -2.739 -0.838 427 HB2 ASP 53 HB2 ASP 53 13.037 -0.576 -0.801 428 HB3 ASP 53 HB1 ASP 53 11.499 0.245 -0.547 429 H ARG 54 HN ARG 54 9.273 -0.521 -1.142 430 HA ARG 54 HA ARG 54 7.866 -1.399 1.127 431 HB2 ARG 54 HB2 ARG 54 7.308 0.426 -1.082 432 HB3 ARG 54 HB1 ARG 54 5.881 -0.367 -0.429 433 HG2 ARG 54 HG2 ARG 54 6.306 1.775 0.642 434 HG3 ARG 54 HG1 ARG 54 6.412 0.440 1.782 435 HD2 ARG 54 HD2 ARG 54 8.948 0.532 1.304 436 HD3 ARG 54 HD1 ARG 54 8.592 2.091 0.591 437 HE ARG 54 HE ARG 54 7.572 2.792 2.663 438 HH11 ARG 54 HH11 ARG 54 10.187 0.310 2.915 439 HH12 ARG 54 HH12 ARG 54 10.274 0.430 4.601 440 HH21 ARG 54 HH21 ARG 54 7.809 2.930 4.988 441 HH22 ARG 54 HH22 ARG 54 8.936 1.935 5.804 442 H ILE 55 HN ILE 55 8.135 -2.840 -1.979 443 HA ILE 55 HA ILE 55 5.732 -4.366 -1.903 444 HB ILE 55 HB ILE 55 8.371 -4.983 -3.292 445 HG12 ILE 55 HG12 ILE 55 5.788 -3.899 -4.427 446 HG13 ILE 55 HG11 ILE 55 7.219 -2.937 -4.098 447 HG21 ILE 55 HG21 ILE 55 5.692 -6.324 -3.660 448 HG22 ILE 55 HG22 ILE 55 7.137 -7.048 -2.954 449 HG23 ILE 55 HG23 ILE 55 7.117 -6.603 -4.662 450 HD11 ILE 55 HD11 ILE 55 7.060 -3.455 -6.464 451 HD12 ILE 55 HD12 ILE 55 6.983 -5.180 -6.102 452 HD13 ILE 55 HD13 ILE 55 8.459 -4.288 -5.778 453 H ALA 56 HN ALA 56 9.024 -4.863 -0.823 454 HA ALA 56 HA ALA 56 8.686 -7.482 0.170 455 HB1 ALA 56 HB1 ALA 56 10.889 -6.435 -0.171 456 HB2 ALA 56 HB2 ALA 56 10.711 -7.087 1.455 457 HB3 ALA 56 HB3 ALA 56 10.569 -5.346 1.182 458 H GLN 57 HN GLN 57 8.508 -4.346 1.789 459 HA GLN 57 HA GLN 57 7.712 -5.267 4.344 460 HB2 GLN 57 HB2 GLN 57 8.490 -2.884 3.426 461 HB3 GLN 57 HB1 GLN 57 6.766 -2.627 3.279 462 HG2 GLN 57 HG2 GLN 57 8.245 -3.266 5.841 463 HG3 GLN 57 HG1 GLN 57 7.703 -1.679 5.342 464 HE21 GLN 57 HE21 GLN 57 6.830 -4.676 6.786 465 HE22 GLN 57 HE22 GLN 57 5.225 -4.233 7.234 466 H PHE 58 HN PHE 58 5.969 -4.581 1.390 467 HA PHE 58 HA PHE 58 3.363 -4.600 2.445 468 HB2 PHE 58 HB2 PHE 58 4.014 -3.667 0.210 469 HB3 PHE 58 HB1 PHE 58 4.203 -5.315 -0.359 470 HD1 PHE 58 HD2 PHE 58 1.582 -3.477 1.574 471 HD2 PHE 58 HD1 PHE 58 2.531 -5.937 -1.745 472 HE1 PHE 58 HE2 PHE 58 -0.785 -3.489 0.924 473 HE2 PHE 58 HE1 PHE 58 0.196 -5.955 -2.415 474 HZ PHE 58 HZ PHE 58 -1.491 -4.732 -1.080 475 H TYR 59 HN TYR 59 5.494 -7.163 1.229 476 HA TYR 59 HA TYR 59 3.580 -9.210 1.339 477 HB2 TYR 59 HB2 TYR 59 6.563 -9.284 1.757 478 HB3 TYR 59 HB1 TYR 59 5.577 -10.717 1.985 479 HD1 TYR 59 HD1 TYR 59 4.035 -11.343 -0.040 480 HD2 TYR 59 HD2 TYR 59 7.478 -8.876 -0.311 481 HE1 TYR 59 HE1 TYR 59 4.235 -11.897 -2.427 482 HE2 TYR 59 HE2 TYR 59 7.683 -9.406 -2.699 483 HH TYR 59 HH TYR 59 7.039 -11.114 -4.202 484 H THR 60 HN THR 60 5.730 -7.913 3.839 485 HA THR 60 HA THR 60 4.897 -9.585 5.933 486 HB THR 60 HB THR 60 5.598 -6.670 6.272 487 HG1 THR 60 HG1 THR 60 7.206 -8.867 5.513 488 HG21 THR 60 HG21 THR 60 6.722 -7.500 8.299 489 HG22 THR 60 HG22 THR 60 6.231 -9.144 7.897 490 HG23 THR 60 HG23 THR 60 5.012 -7.934 8.298 491 H ASP 61 HN ASP 61 3.846 -6.332 5.049 492 HA ASP 61 HA ASP 61 1.988 -5.885 7.097 493 HB2 ASP 61 HB2 ASP 61 3.180 -4.186 5.664 494 HB3 ASP 61 HB1 ASP 61 2.070 -4.587 4.369 495 H LEU 62 HN LEU 62 1.543 -7.011 3.805 496 HA LEU 62 HA LEU 62 -1.310 -7.027 3.880 497 HB2 LEU 62 HB2 LEU 62 0.021 -6.698 1.852 498 HB3 LEU 62 HB1 LEU 62 0.618 -8.332 1.987 499 HG LEU 62 HG LEU 62 -1.695 -9.149 1.655 500 HD11 LEU 62 HD11 LEU 62 -2.887 -7.170 2.418 501 HD12 LEU 62 HD12 LEU 62 -3.336 -7.563 0.760 502 HD13 LEU 62 HD13 LEU 62 -2.219 -6.237 1.082 503 HD21 LEU 62 HD21 LEU 62 -0.575 -7.361 -0.496 504 HD22 LEU 62 HD22 LEU 62 -1.735 -8.670 -0.736 505 HD23 LEU 62 HD23 LEU 62 -0.103 -9.030 -0.175 506 H ASN 63 HN ASN 63 1.187 -9.569 4.151 507 HA ASN 63 HA ASN 63 -0.596 -11.751 3.902 508 HB2 ASN 63 HB2 ASN 63 1.791 -11.993 3.461 509 HB3 ASN 63 HB1 ASN 63 2.148 -11.705 5.158 510 HD21 ASN 63 HD21 ASN 63 0.979 -13.955 2.828 511 HD22 ASN 63 HD22 ASN 63 0.935 -15.346 3.841 512 H ILE 64 HN ILE 64 0.517 -10.000 6.718 513 HA ILE 64 HA ILE 64 -0.482 -11.987 8.550 514 HB ILE 64 HB ILE 64 0.212 -10.459 10.334 515 HG12 ILE 64 HG12 ILE 64 0.965 -8.553 8.090 516 HG13 ILE 64 HG11 ILE 64 -0.364 -8.323 9.218 517 HG21 ILE 64 HG21 ILE 64 1.865 -11.970 9.382 518 HG22 ILE 64 HG22 ILE 64 2.625 -10.450 9.853 519 HG23 ILE 64 HG23 ILE 64 2.278 -10.773 8.156 520 HD11 ILE 64 HD11 ILE 64 1.553 -6.955 9.806 521 HD12 ILE 64 HD12 ILE 64 2.565 -8.395 9.917 522 HD13 ILE 64 HD13 ILE 64 1.241 -8.159 11.059 523 H ASP 65 HN ASP 65 -2.199 -10.077 6.674 524 HA ASP 65 HA ASP 65 -3.985 -9.185 8.801 525 HB2 ASP 65 HB2 ASP 65 -3.237 -7.272 7.587 526 HB3 ASP 65 HB1 ASP 65 -3.551 -8.054 6.038 527 H GLY 66 HN GLY 66 -6.125 -9.548 8.674 528 HA2 GLY 66 HA2 GLY 66 -6.967 -11.604 6.757 529 HA3 GLY 66 HA1 GLY 66 -7.566 -11.460 8.426 530 H ARG 67 HN ARG 67 -7.208 -8.424 6.796 531 HA ARG 67 HA ARG 67 -10.080 -8.303 6.422 532 HB2 ARG 67 HB2 ARG 67 -8.767 -6.383 7.479 533 HB3 ARG 67 HB1 ARG 67 -7.934 -6.194 5.950 534 HG2 ARG 67 HG2 ARG 67 -9.550 -4.513 5.928 535 HG3 ARG 67 HG1 ARG 67 -10.254 -5.786 4.939 536 HD2 ARG 67 HD2 ARG 67 -10.901 -5.299 7.859 537 HD3 ARG 67 HD1 ARG 67 -11.867 -4.729 6.508 538 HE ARG 67 HE ARG 67 -11.567 -7.503 6.316 539 HH11 ARG 67 HH11 ARG 67 -13.311 -5.066 8.295 540 HH12 ARG 67 HH12 ARG 67 -14.519 -6.142 8.776 541 HH21 ARG 67 HH21 ARG 67 -13.369 -8.997 7.044 542 HH22 ARG 67 HH22 ARG 67 -14.522 -8.352 8.085 543 H PHE 68 HN PHE 68 -6.991 -8.209 4.863 544 HA PHE 68 HA PHE 68 -8.027 -8.390 2.184 545 HB2 PHE 68 HB2 PHE 68 -5.501 -7.880 3.446 546 HB3 PHE 68 HB1 PHE 68 -5.339 -9.145 2.227 547 HD1 PHE 68 HD2 PHE 68 -5.830 -8.717 -0.076 548 HD2 PHE 68 HD1 PHE 68 -6.062 -5.650 2.849 549 HE1 PHE 68 HE2 PHE 68 -5.825 -7.039 -1.853 550 HE2 PHE 68 HE1 PHE 68 -6.061 -3.963 1.075 551 HZ PHE 68 HZ PHE 68 -5.939 -4.669 -1.284 552 H LEU 69 HN LEU 69 -6.932 -10.238 0.831 553 HA LEU 69 HA LEU 69 -6.629 -12.754 2.131 554 HB2 LEU 69 HB2 LEU 69 -8.948 -12.585 2.454 555 HB3 LEU 69 HB1 LEU 69 -9.223 -12.027 0.819 556 HG LEU 69 HG LEU 69 -8.660 -14.264 -0.020 557 HD11 LEU 69 HD11 LEU 69 -8.448 -15.004 2.890 558 HD12 LEU 69 HD12 LEU 69 -7.118 -14.929 1.731 559 HD13 LEU 69 HD13 LEU 69 -8.401 -16.118 1.513 560 HD21 LEU 69 HD21 LEU 69 -10.758 -14.185 2.132 561 HD22 LEU 69 HD22 LEU 69 -10.653 -15.391 0.857 562 HD23 LEU 69 HD23 LEU 69 -10.965 -13.700 0.452 563 H ALA 70 HN ALA 70 -5.330 -13.923 0.787 564 HA ALA 70 HA ALA 70 -5.461 -13.454 -2.082 565 HB1 ALA 70 HB1 ALA 70 -3.830 -15.278 -2.289 566 HB2 ALA 70 HB2 ALA 70 -3.815 -15.498 -0.546 567 HB3 ALA 70 HB3 ALA 70 -3.194 -13.991 -1.262 568 H LEU 71 HN LEU 71 -7.356 -14.049 -2.588 569 HA LEU 71 HA LEU 71 -8.587 -16.379 -1.638 570 HB2 LEU 71 HB2 LEU 71 -10.257 -15.873 -3.577 571 HB3 LEU 71 HB1 LEU 71 -10.121 -14.754 -2.240 572 HG LEU 71 HG LEU 71 -8.476 -13.515 -3.853 573 HD11 LEU 71 HD11 LEU 71 -10.092 -15.088 -5.806 574 HD12 LEU 71 HD12 LEU 71 -8.350 -15.201 -5.528 575 HD13 LEU 71 HD13 LEU 71 -9.049 -13.711 -6.163 576 HD21 LEU 71 HD21 LEU 71 -10.541 -12.584 -3.027 577 HD22 LEU 71 HD22 LEU 71 -11.463 -13.501 -4.213 578 HD23 LEU 71 HD23 LEU 71 -10.356 -12.241 -4.743 579 H SER 72 HN SER 72 -9.585 -17.889 -3.545 580 HA SER 72 HA SER 72 -7.796 -19.862 -3.768 581 HB2 SER 72 HB2 SER 72 -10.153 -19.419 -5.561 582 HB3 SER 72 HB1 SER 72 -9.327 -20.956 -5.293 583 HG SER 72 HG SER 72 -10.862 -19.413 -3.494 584 H ASP 73 HN ASP 73 -7.352 -17.217 -5.800 585 HA ASP 73 HA ASP 73 -5.598 -18.899 -7.418 586 HB2 ASP 73 HB2 ASP 73 -7.271 -16.624 -8.456 587 HB3 ASP 73 HB1 ASP 73 -5.805 -17.119 -9.292 588 H GLN 74 HN GLN 74 -5.259 -17.198 -5.001 589 HA GLN 74 HA GLN 74 -3.564 -16.161 -4.031 590 HB2 GLN 74 HB2 GLN 74 -2.097 -17.243 -6.410 591 HB3 GLN 74 HB1 GLN 74 -1.268 -16.080 -5.388 592 HG2 GLN 74 HG2 GLN 74 -0.717 -18.367 -4.740 593 HG3 GLN 74 HG1 GLN 74 -1.574 -17.536 -3.451 594 HE21 GLN 74 HE21 GLN 74 -2.988 -18.979 -6.320 595 HE22 GLN 74 HE22 GLN 74 -3.940 -20.149 -5.504 596 H THR 75 HN THR 75 -5.124 -15.026 -6.351 597 HA THR 75 HA THR 75 -3.877 -12.439 -6.660 598 HB THR 75 HB THR 75 -6.205 -11.893 -7.630 599 HG1 THR 75 HG1 THR 75 -7.034 -13.798 -6.426 600 HG21 THR 75 HG21 THR 75 -5.783 -13.127 -9.717 601 HG22 THR 75 HG22 THR 75 -4.661 -14.188 -8.868 602 HG23 THR 75 HG23 THR 75 -4.276 -12.480 -9.070 603 H TRP 76 HN TRP 76 -4.619 -10.555 -5.520 604 HA TRP 76 HA TRP 76 -5.727 -11.385 -2.991 605 HB2 TRP 76 HB2 TRP 76 -4.124 -8.949 -3.764 606 HB3 TRP 76 HB1 TRP 76 -4.813 -9.213 -2.164 607 HD1 TRP 76 HD1 TRP 76 -2.129 -10.660 -4.523 608 HE1 TRP 76 HE1 TRP 76 -0.446 -12.000 -3.123 609 HE3 TRP 76 HE3 TRP 76 -4.485 -10.418 0.010 610 HZ2 TRP 76 HZ2 TRP 76 -0.147 -12.841 -0.425 611 HZ3 TRP 76 HZ3 TRP 76 -3.435 -11.511 1.946 612 HH2 TRP 76 HH2 TRP 76 -1.311 -12.696 1.731 613 H GLY 77 HN GLY 77 -7.400 -10.497 -2.099 614 HA2 GLY 77 HA2 GLY 77 -8.764 -8.276 -3.326 615 HA3 GLY 77 HA1 GLY 77 -9.631 -9.818 -3.280 616 H LEU 78 HN LEU 78 -10.998 -8.316 -1.908 617 HA LEU 78 HA LEU 78 -9.968 -8.150 0.815 618 HB2 LEU 78 HB2 LEU 78 -12.412 -6.936 -0.451 619 HB3 LEU 78 HB1 LEU 78 -12.006 -6.800 1.247 620 HG LEU 78 HG LEU 78 -10.352 -5.722 -1.027 621 HD11 LEU 78 HD11 LEU 78 -11.096 -3.536 -0.211 622 HD12 LEU 78 HD12 LEU 78 -12.158 -4.338 0.951 623 HD13 LEU 78 HD13 LEU 78 -12.443 -4.521 -0.778 624 HD21 LEU 78 HD21 LEU 78 -10.067 -5.449 1.965 625 HD22 LEU 78 HD22 LEU 78 -9.124 -4.576 0.759 626 HD23 LEU 78 HD23 LEU 78 -8.977 -6.323 0.883 627 H ARG 79 HN ARG 79 -10.660 -9.409 2.334 628 HA ARG 79 HA ARG 79 -12.342 -11.635 1.796 629 HB2 ARG 79 HB2 ARG 79 -10.574 -11.833 3.416 630 HB3 ARG 79 HB1 ARG 79 -11.169 -10.449 4.314 631 HG2 ARG 79 HG2 ARG 79 -13.183 -11.763 4.901 632 HG3 ARG 79 HG1 ARG 79 -12.455 -13.142 4.068 633 HD2 ARG 79 HD2 ARG 79 -10.761 -13.362 5.622 634 HD3 ARG 79 HD1 ARG 79 -10.956 -11.716 6.221 635 HE ARG 79 HE ARG 79 -12.944 -13.843 6.688 636 HH11 ARG 79 HH11 ARG 79 -10.904 -11.209 7.919 637 HH12 ARG 79 HH12 ARG 79 -11.693 -11.070 9.409 638 HH21 ARG 79 HH21 ARG 79 -14.020 -13.728 8.752 639 HH22 ARG 79 HH22 ARG 79 -13.487 -12.620 9.918 640 H SER 80 HN SER 80 -12.761 -8.418 3.000 641 HA SER 80 HA SER 80 -15.137 -8.751 4.436 642 HB2 SER 80 HB2 SER 80 -14.985 -6.171 4.158 643 HB3 SER 80 HB1 SER 80 -13.822 -7.048 5.161 644 HG SER 80 HG SER 80 -13.367 -5.540 3.073 645 H TRP 81 HN TRP 81 -14.711 -8.739 1.059 646 HA TRP 81 HA TRP 81 -17.154 -7.340 0.388 647 HB2 TRP 81 HB2 TRP 81 -15.565 -9.376 -1.185 648 HB3 TRP 81 HB1 TRP 81 -16.983 -8.549 -1.799 649 HD1 TRP 81 HD1 TRP 81 -16.193 -5.581 -0.894 650 HE1 TRP 81 HE1 TRP 81 -14.317 -4.389 -2.162 651 HE3 TRP 81 HE3 TRP 81 -13.794 -9.697 -2.837 652 HZ2 TRP 81 HZ2 TRP 81 -12.131 -5.093 -3.805 653 HZ3 TRP 81 HZ3 TRP 81 -11.839 -9.320 -4.260 654 HH2 TRP 81 HH2 TRP 81 -11.026 -7.068 -4.728 655 H TYR 82 HN TYR 82 -16.313 -10.334 1.628 656 HA TYR 82 HA TYR 82 -18.920 -11.555 1.014 657 HB2 TYR 82 HB2 TYR 82 -16.390 -13.102 1.470 658 HB3 TYR 82 HB1 TYR 82 -17.816 -13.567 0.570 659 HD1 TYR 82 HD1 TYR 82 -14.698 -11.615 0.457 660 HD2 TYR 82 HD2 TYR 82 -17.911 -13.179 -1.844 661 HE1 TYR 82 HE1 TYR 82 -13.420 -11.227 -1.572 662 HE2 TYR 82 HE2 TYR 82 -16.636 -12.779 -3.886 663 HH TYR 82 HH TYR 82 -13.275 -11.924 -3.757 Start of MODEL 18 1 H1 GLY 2 HT1 GLY 2 -11.832 6.767 -5.760 2 H2 GLY 2 HT2 GLY 2 -11.233 8.216 -6.279 3 H3 GLY 2 HT3 GLY 2 -12.785 8.175 -5.626 4 HA2 GLY 2 HA1 GLY 2 -11.138 9.061 -4.034 5 HA3 GLY 2 HA2 GLY 2 -11.662 7.466 -3.488 6 H ILE 3 HN ILE 3 -9.478 7.870 -2.430 7 HA ILE 3 HA ILE 3 -7.397 7.387 -2.060 8 HB ILE 3 HB ILE 3 -8.304 5.085 -2.359 9 HG12 ILE 3 HG12 ILE 3 -6.095 3.913 -2.498 10 HG13 ILE 3 HG11 ILE 3 -5.384 5.436 -3.003 11 HG21 ILE 3 HG21 ILE 3 -6.980 5.141 -5.065 12 HG22 ILE 3 HG22 ILE 3 -8.711 5.038 -4.747 13 HG23 ILE 3 HG23 ILE 3 -7.647 3.712 -4.273 14 HD11 ILE 3 HD11 ILE 3 -6.765 4.965 -0.384 15 HD12 ILE 3 HD12 ILE 3 -5.941 6.444 -0.884 16 HD13 ILE 3 HD13 ILE 3 -5.025 4.963 -0.636 17 H LYS 4 HN LYS 4 -7.762 7.891 -5.482 18 HA LYS 4 HA LYS 4 -4.964 8.080 -6.039 19 HB2 LYS 4 HB2 LYS 4 -6.632 7.561 -7.777 20 HB3 LYS 4 HB1 LYS 4 -7.333 9.156 -7.598 21 HG2 LYS 4 HG2 LYS 4 -5.948 9.036 -9.592 22 HG3 LYS 4 HG1 LYS 4 -5.244 10.155 -8.424 23 HD2 LYS 4 HD2 LYS 4 -3.644 8.472 -7.728 24 HD3 LYS 4 HD1 LYS 4 -4.387 7.281 -8.801 25 HE2 LYS 4 HE2 LYS 4 -2.359 8.174 -9.796 26 HE3 LYS 4 HE1 LYS 4 -3.769 8.665 -10.725 27 HZ1 LYS 4 HZ1 LYS 4 -2.319 10.380 -8.768 28 HZ2 LYS 4 HZ2 LYS 4 -3.637 10.866 -9.685 29 HZ3 LYS 4 HZ3 LYS 4 -2.196 10.466 -10.428 30 H GLN 5 HN GLN 5 -7.239 10.180 -4.677 31 HA GLN 5 HA GLN 5 -5.896 12.660 -5.264 32 HB2 GLN 5 HB2 GLN 5 -7.584 13.652 -3.745 33 HB3 GLN 5 HB1 GLN 5 -8.287 12.687 -5.033 34 HG2 GLN 5 HG2 GLN 5 -8.518 10.808 -3.417 35 HG3 GLN 5 HG1 GLN 5 -7.945 11.891 -2.153 36 HE21 GLN 5 HE21 GLN 5 -10.516 11.191 -4.349 37 HE22 GLN 5 HE22 GLN 5 -11.729 12.123 -3.546 38 H TYR 6 HN TYR 6 -4.877 10.299 -3.361 39 HA TYR 6 HA TYR 6 -4.139 11.874 -1.014 40 HB2 TYR 6 HB2 TYR 6 -3.495 9.010 -1.771 41 HB3 TYR 6 HB1 TYR 6 -2.988 9.783 -0.291 42 HD1 TYR 6 HD1 TYR 6 -6.339 10.265 -1.703 43 HD2 TYR 6 HD2 TYR 6 -4.017 8.157 1.142 44 HE1 TYR 6 HE1 TYR 6 -8.367 9.464 -0.665 45 HE2 TYR 6 HE2 TYR 6 -6.076 7.342 2.218 46 HH TYR 6 HH TYR 6 -9.128 7.748 0.666 47 H SER 7 HN SER 7 -2.277 12.999 -0.995 48 HA SER 7 HA SER 7 -0.368 12.824 -3.071 49 HB2 SER 7 HB2 SER 7 -0.075 14.004 -0.296 50 HB3 SER 7 HB1 SER 7 0.869 14.430 -1.721 51 HG SER 7 HG SER 7 -1.204 15.655 -0.948 52 H GLN 8 HN GLN 8 1.990 12.164 -2.645 53 HA GLN 8 HA GLN 8 1.950 9.487 -1.784 54 HB2 GLN 8 HB2 GLN 8 4.344 9.369 -2.104 55 HB3 GLN 8 HB1 GLN 8 3.596 10.206 -3.454 56 HG2 GLN 8 HG2 GLN 8 4.578 12.138 -2.980 57 HG3 GLN 8 HG1 GLN 8 4.599 11.872 -1.238 58 HE21 GLN 8 HE21 GLN 8 6.337 11.316 -4.229 59 HE22 GLN 8 HE22 GLN 8 7.756 10.701 -3.460 60 H GLU 9 HN GLU 9 2.885 12.375 -0.099 61 HA GLU 9 HA GLU 9 4.260 11.359 2.063 62 HB2 GLU 9 HB2 GLU 9 2.206 13.557 2.335 63 HB3 GLU 9 HB1 GLU 9 3.653 13.321 3.293 64 HG2 GLU 9 HG2 GLU 9 4.243 15.083 1.947 65 HG3 GLU 9 HG1 GLU 9 4.894 13.715 1.048 66 H GLU 10 HN GLU 10 0.790 11.669 1.610 67 HA GLU 10 HA GLU 10 -0.237 10.780 4.057 68 HB2 GLU 10 HB2 GLU 10 -1.547 11.800 2.217 69 HB3 GLU 10 HB1 GLU 10 -1.253 10.387 1.226 70 HG2 GLU 10 HG2 GLU 10 -3.466 10.222 2.039 71 HG3 GLU 10 HG1 GLU 10 -2.510 9.053 2.945 72 H LEU 11 HN LEU 11 0.362 9.134 1.090 73 HA LEU 11 HA LEU 11 -0.314 6.514 1.808 74 HB2 LEU 11 HB2 LEU 11 1.425 7.571 -0.391 75 HB3 LEU 11 HB1 LEU 11 0.651 5.990 -0.360 76 HG LEU 11 HG LEU 11 -0.930 8.560 -0.274 77 HD11 LEU 11 HD11 LEU 11 0.332 8.576 -2.331 78 HD12 LEU 11 HD12 LEU 11 -1.368 8.257 -2.644 79 HD13 LEU 11 HD13 LEU 11 -0.201 6.937 -2.691 80 HD21 LEU 11 HD21 LEU 11 -2.090 6.612 0.504 81 HD22 LEU 11 HD22 LEU 11 -1.654 5.725 -0.958 82 HD23 LEU 11 HD23 LEU 11 -2.742 7.112 -1.057 83 H LYS 12 HN LYS 12 2.654 8.309 2.020 84 HA LYS 12 HA LYS 12 4.466 6.154 2.433 85 HB2 LYS 12 HB2 LYS 12 4.575 9.098 2.984 86 HB3 LYS 12 HB1 LYS 12 5.894 8.058 3.466 87 HG2 LYS 12 HG2 LYS 12 4.904 8.252 0.634 88 HG3 LYS 12 HG1 LYS 12 6.152 9.306 1.292 89 HD2 LYS 12 HD2 LYS 12 7.527 7.330 1.807 90 HD3 LYS 12 HD1 LYS 12 6.275 6.293 1.118 91 HE2 LYS 12 HE2 LYS 12 6.583 7.214 -1.044 92 HE3 LYS 12 HE1 LYS 12 7.612 8.503 -0.431 93 HZ1 LYS 12 HZ1 LYS 12 8.856 6.702 -1.534 94 HZ2 LYS 12 HZ2 LYS 12 8.366 5.614 -0.320 95 HZ3 LYS 12 HZ3 LYS 12 9.307 6.948 0.053 96 H GLU 13 HN GLU 13 2.551 8.188 4.617 97 HA GLU 13 HA GLU 13 3.857 7.109 6.947 98 HB2 GLU 13 HB2 GLU 13 1.410 8.843 6.695 99 HB3 GLU 13 HB1 GLU 13 2.133 8.359 8.220 100 HG2 GLU 13 HG2 GLU 13 3.345 10.085 6.089 101 HG3 GLU 13 HG1 GLU 13 2.838 10.563 7.708 102 H MET 14 HN MET 14 0.800 6.721 5.327 103 HA MET 14 HA MET 14 -0.118 4.933 7.370 104 HB2 MET 14 HB2 MET 14 -1.384 5.753 4.758 105 HB3 MET 14 HB1 MET 14 -2.161 4.744 5.977 106 HG2 MET 14 HG2 MET 14 -1.228 7.581 6.344 107 HG3 MET 14 HG1 MET 14 -2.900 7.041 6.183 108 HE1 MET 14 HE1 MET 14 -3.372 8.440 8.599 109 HE2 MET 14 HE2 MET 14 -1.663 8.859 8.513 110 HE3 MET 14 HE3 MET 14 -2.326 8.185 9.997 111 H ALA 15 HN ALA 15 -0.521 2.796 7.167 112 HA ALA 15 HA ALA 15 1.417 1.311 5.827 113 HB1 ALA 15 HB1 ALA 15 0.285 0.555 7.862 114 HB2 ALA 15 HB2 ALA 15 0.183 -0.650 6.577 115 HB3 ALA 15 HB3 ALA 15 -1.212 0.361 6.953 116 H LEU 16 HN LEU 16 1.421 0.242 3.913 117 HA LEU 16 HA LEU 16 -0.483 1.249 2.099 118 HB2 LEU 16 HB2 LEU 16 0.681 0.261 0.242 119 HB3 LEU 16 HB1 LEU 16 1.796 1.085 1.299 120 HG LEU 16 HG LEU 16 1.462 -1.905 1.055 121 HD11 LEU 16 HD11 LEU 16 2.391 -0.943 -0.945 122 HD12 LEU 16 HD12 LEU 16 3.663 -1.787 -0.060 123 HD13 LEU 16 HD13 LEU 16 3.565 -0.032 -0.000 124 HD21 LEU 16 HD21 LEU 16 2.257 -1.294 3.276 125 HD22 LEU 16 HD22 LEU 16 3.508 -0.273 2.567 126 HD23 LEU 16 HD23 LEU 16 3.563 -2.022 2.341 127 H VAL 17 HN VAL 17 -0.521 -1.603 3.942 128 HA VAL 17 HA VAL 17 -2.336 -3.018 2.321 129 HB VAL 17 HB VAL 17 -1.243 -4.013 4.342 130 HG11 VAL 17 HG11 VAL 17 -3.174 -2.330 5.923 131 HG12 VAL 17 HG12 VAL 17 -1.418 -2.178 5.896 132 HG13 VAL 17 HG13 VAL 17 -2.168 -3.624 6.576 133 HG21 VAL 17 HG21 VAL 17 -4.254 -4.143 4.391 134 HG22 VAL 17 HG22 VAL 17 -3.165 -5.316 5.131 135 HG23 VAL 17 HG23 VAL 17 -3.184 -5.109 3.379 136 H GLU 18 HN GLU 18 -2.802 -0.250 4.407 137 HA GLU 18 HA GLU 18 -5.668 -0.337 4.441 138 HB2 GLU 18 HB2 GLU 18 -3.906 2.113 4.705 139 HB3 GLU 18 HB1 GLU 18 -5.554 1.936 5.275 140 HG2 GLU 18 HG2 GLU 18 -3.122 0.546 6.354 141 HG3 GLU 18 HG1 GLU 18 -3.991 1.874 7.117 142 H ILE 19 HN ILE 19 -3.190 1.091 2.523 143 HA ILE 19 HA ILE 19 -4.762 2.714 0.820 144 HB ILE 19 HB ILE 19 -2.081 1.423 0.242 145 HG12 ILE 19 HG12 ILE 19 -1.862 2.610 2.323 146 HG13 ILE 19 HG11 ILE 19 -1.098 3.592 1.077 147 HG21 ILE 19 HG21 ILE 19 -1.693 3.286 -1.277 148 HG22 ILE 19 HG22 ILE 19 -3.297 3.917 -0.928 149 HG23 ILE 19 HG23 ILE 19 -3.122 2.366 -1.749 150 HD11 ILE 19 HD11 ILE 19 -3.774 4.010 2.375 151 HD12 ILE 19 HD12 ILE 19 -3.157 4.976 1.039 152 HD13 ILE 19 HD13 ILE 19 -2.310 4.972 2.597 153 H ALA 20 HN ALA 20 -3.359 -0.492 0.466 154 HA ALA 20 HA ALA 20 -4.397 -1.240 -1.992 155 HB1 ALA 20 HB1 ALA 20 -2.666 -2.499 -0.769 156 HB2 ALA 20 HB2 ALA 20 -3.987 -3.529 -1.305 157 HB3 ALA 20 HB3 ALA 20 -3.892 -3.029 0.383 158 H HIS 21 HN HIS 21 -5.795 -1.511 1.243 159 HA HIS 21 HA HIS 21 -8.148 -2.839 0.716 160 HB2 HIS 21 HB2 HIS 21 -7.460 -2.231 2.989 161 HB3 HIS 21 HB1 HIS 21 -7.682 -0.519 2.615 162 HD1 HIS 21 HD1 HIS 21 -10.152 0.385 2.619 163 HD2 HIS 21 HD2 HIS 21 -9.769 -3.636 3.624 164 HE1 HIS 21 HE1 HIS 21 -12.378 -0.305 3.479 165 HE2 HIS 21 HE2 HIS 21 -11.966 -2.565 4.449 166 H GLU 22 HN GLU 22 -7.446 0.626 0.333 167 HA GLU 22 HA GLU 22 -10.077 1.284 -0.419 168 HB2 GLU 22 HB2 GLU 22 -7.562 2.829 -1.031 169 HB3 GLU 22 HB1 GLU 22 -9.207 3.443 -1.143 170 HG2 GLU 22 HG2 GLU 22 -7.698 2.653 1.334 171 HG3 GLU 22 HG1 GLU 22 -8.281 4.253 0.888 172 H LEU 23 HN LEU 23 -7.278 0.303 -2.373 173 HA LEU 23 HA LEU 23 -8.405 0.827 -4.922 174 HB2 LEU 23 HB2 LEU 23 -6.555 -1.430 -4.111 175 HB3 LEU 23 HB1 LEU 23 -7.184 -1.311 -5.731 176 HG LEU 23 HG LEU 23 -5.018 -0.513 -5.840 177 HD11 LEU 23 HD11 LEU 23 -6.555 0.905 -7.047 178 HD12 LEU 23 HD12 LEU 23 -5.195 1.842 -6.435 179 HD13 LEU 23 HD13 LEU 23 -6.759 1.940 -5.631 180 HD21 LEU 23 HD21 LEU 23 -5.575 1.144 -3.386 181 HD22 LEU 23 HD22 LEU 23 -4.118 1.252 -4.380 182 HD23 LEU 23 HD23 LEU 23 -4.493 -0.246 -3.550 183 H PHE 24 HN PHE 24 -8.694 -1.972 -2.861 184 HA PHE 24 HA PHE 24 -10.408 -3.302 -4.707 185 HB2 PHE 24 HB2 PHE 24 -9.639 -4.020 -1.891 186 HB3 PHE 24 HB1 PHE 24 -10.611 -5.042 -2.953 187 HD1 PHE 24 HD1 PHE 24 -9.626 -5.628 -5.205 188 HD2 PHE 24 HD2 PHE 24 -7.337 -4.148 -1.983 189 HE1 PHE 24 HE1 PHE 24 -7.609 -6.504 -6.255 190 HE2 PHE 24 HE2 PHE 24 -5.288 -5.026 -3.024 191 HZ PHE 24 HZ PHE 24 -5.435 -6.207 -5.180 192 H GLU 25 HN GLU 25 -10.954 -1.202 -2.065 193 HA GLU 25 HA GLU 25 -13.707 -1.868 -1.778 194 HB2 GLU 25 HB2 GLU 25 -12.473 -0.674 -0.001 195 HB3 GLU 25 HB1 GLU 25 -12.273 0.706 -1.067 196 HG2 GLU 25 HG2 GLU 25 -14.052 1.042 0.600 197 HG3 GLU 25 HG1 GLU 25 -14.651 1.121 -1.056 198 H GLU 26 HN GLU 26 -11.967 0.618 -3.601 199 HA GLU 26 HA GLU 26 -14.308 1.768 -4.740 200 HB2 GLU 26 HB2 GLU 26 -12.228 3.037 -4.550 201 HB3 GLU 26 HB1 GLU 26 -11.423 1.910 -5.632 202 HG2 GLU 26 HG2 GLU 26 -12.984 2.571 -7.427 203 HG3 GLU 26 HG1 GLU 26 -13.692 3.757 -6.338 204 H HIS 27 HN HIS 27 -11.854 -0.454 -6.002 205 HA HIS 27 HA HIS 27 -13.214 -0.618 -8.547 206 HB2 HIS 27 HB2 HIS 27 -10.714 -2.052 -7.589 207 HB3 HIS 27 HB1 HIS 27 -11.345 -2.125 -9.229 208 HD1 HIS 27 HD1 HIS 27 -8.441 -0.901 -8.465 209 HD2 HIS 27 HD2 HIS 27 -11.936 1.245 -9.220 210 HE1 HIS 27 HE1 HIS 27 -7.717 1.409 -8.976 211 HE2 HIS 27 HE2 HIS 27 -9.899 2.698 -8.928 212 H LYS 28 HN LYS 28 -12.811 -2.658 -5.725 213 HA LYS 28 HA LYS 28 -13.556 -4.696 -5.115 214 HB2 LYS 28 HB2 LYS 28 -15.903 -4.289 -6.966 215 HB3 LYS 28 HB1 LYS 28 -15.856 -5.180 -5.467 216 HG2 LYS 28 HG2 LYS 28 -15.536 -3.068 -4.245 217 HG3 LYS 28 HG1 LYS 28 -15.707 -2.198 -5.771 218 HD2 LYS 28 HD2 LYS 28 -17.922 -3.417 -6.029 219 HD3 LYS 28 HD1 LYS 28 -17.743 -3.856 -4.329 220 HE2 LYS 28 HE2 LYS 28 -17.841 -1.081 -5.478 221 HE3 LYS 28 HE1 LYS 28 -19.113 -1.866 -4.562 222 HZ1 LYS 28 HZ1 LYS 28 -16.418 -1.190 -3.517 223 HZ2 LYS 28 HZ2 LYS 28 -17.691 -1.794 -2.592 224 HZ3 LYS 28 HZ3 LYS 28 -17.786 -0.259 -3.350 225 H LYS 29 HN LYS 29 -11.751 -4.718 -7.106 226 HA LYS 29 HA LYS 29 -12.617 -6.745 -9.026 227 HB2 LYS 29 HB2 LYS 29 -10.447 -4.655 -9.126 228 HB3 LYS 29 HB1 LYS 29 -10.581 -5.945 -10.299 229 HG2 LYS 29 HG2 LYS 29 -12.719 -3.876 -9.786 230 HG3 LYS 29 HG1 LYS 29 -11.488 -3.738 -11.040 231 HD2 LYS 29 HD2 LYS 29 -13.507 -5.970 -10.819 232 HD3 LYS 29 HD1 LYS 29 -13.649 -4.585 -11.902 233 HE2 LYS 29 HE2 LYS 29 -11.525 -5.260 -12.978 234 HE3 LYS 29 HE1 LYS 29 -11.471 -6.661 -11.913 235 HZ1 LYS 29 HZ1 LYS 29 -13.580 -6.089 -13.900 236 HZ2 LYS 29 HZ2 LYS 29 -13.549 -7.426 -12.892 237 HZ3 LYS 29 HZ3 LYS 29 -12.351 -7.222 -14.066 238 HA PRO 30 HA PRO 30 -9.531 -9.112 -6.768 239 HB2 PRO 30 HB2 PRO 30 -9.665 -11.128 -8.834 240 HB3 PRO 30 HB1 PRO 30 -10.236 -11.207 -7.187 241 HG2 PRO 30 HG2 PRO 30 -11.917 -11.148 -9.362 242 HG3 PRO 30 HG1 PRO 30 -12.370 -10.695 -7.714 243 HD2 PRO 30 HD2 PRO 30 -11.715 -8.974 -10.040 244 HD3 PRO 30 HD1 PRO 30 -12.846 -8.702 -8.696 245 H VAL 31 HN VAL 31 -7.565 -8.235 -7.070 246 HA VAL 31 HA VAL 31 -6.552 -8.072 -9.817 247 HB VAL 31 HB VAL 31 -5.948 -6.176 -7.520 248 HG11 VAL 31 HG11 VAL 31 -5.167 -6.011 -10.421 249 HG12 VAL 31 HG12 VAL 31 -4.092 -6.325 -9.059 250 HG13 VAL 31 HG13 VAL 31 -4.892 -4.760 -9.210 251 HG21 VAL 31 HG21 VAL 31 -7.243 -4.512 -8.765 252 HG22 VAL 31 HG22 VAL 31 -8.238 -5.888 -8.282 253 HG23 VAL 31 HG23 VAL 31 -7.683 -5.744 -9.946 254 HA PRO 32 HA PRO 32 -3.147 -10.676 -8.456 255 HB2 PRO 32 HB2 PRO 32 -1.768 -9.119 -10.593 256 HB3 PRO 32 HB1 PRO 32 -1.840 -10.870 -10.361 257 HG2 PRO 32 HG2 PRO 32 -3.276 -9.735 -12.266 258 HG3 PRO 32 HG1 PRO 32 -3.961 -11.034 -11.271 259 HD2 PRO 32 HD2 PRO 32 -4.432 -8.091 -11.120 260 HD3 PRO 32 HD1 PRO 32 -5.577 -9.442 -10.929 261 H PHE 33 HN PHE 33 -1.313 -10.377 -7.287 262 HA PHE 33 HA PHE 33 -1.004 -8.198 -5.655 263 HB2 PHE 33 HB2 PHE 33 -0.134 -10.443 -5.202 264 HB3 PHE 33 HB1 PHE 33 1.056 -10.247 -6.492 265 HD1 PHE 33 HD1 PHE 33 -0.012 -8.901 -3.212 266 HD2 PHE 33 HD2 PHE 33 3.137 -9.344 -6.030 267 HE1 PHE 33 HE1 PHE 33 1.581 -8.025 -1.562 268 HE2 PHE 33 HE2 PHE 33 4.730 -8.463 -4.402 269 HZ PHE 33 HZ PHE 33 3.958 -7.802 -2.151 270 H GLN 34 HN GLN 34 0.769 -8.993 -8.564 271 HA GLN 34 HA GLN 34 2.631 -6.924 -8.640 272 HB2 GLN 34 HB2 GLN 34 1.244 -8.368 -10.881 273 HB3 GLN 34 HB1 GLN 34 2.646 -7.350 -11.119 274 HG2 GLN 34 HG2 GLN 34 2.539 -9.840 -9.415 275 HG3 GLN 34 HG1 GLN 34 3.212 -9.746 -11.043 276 HE21 GLN 34 HE21 GLN 34 4.432 -7.081 -10.469 277 HE22 GLN 34 HE22 GLN 34 5.775 -7.446 -9.474 278 H GLU 35 HN GLU 35 -0.700 -6.959 -9.934 279 HA GLU 35 HA GLU 35 -0.271 -4.454 -11.234 280 HB2 GLU 35 HB2 GLU 35 -2.627 -6.317 -11.165 281 HB3 GLU 35 HB1 GLU 35 -2.607 -4.806 -12.061 282 HG2 GLU 35 HG2 GLU 35 -0.633 -7.042 -12.478 283 HG3 GLU 35 HG1 GLU 35 -2.095 -6.815 -13.435 284 H LEU 36 HN LEU 36 -1.795 -5.642 -8.335 285 HA LEU 36 HA LEU 36 -3.231 -3.249 -7.866 286 HB2 LEU 36 HB2 LEU 36 -3.574 -4.035 -5.567 287 HB3 LEU 36 HB1 LEU 36 -3.861 -5.325 -6.701 288 HG LEU 36 HG LEU 36 -1.439 -6.079 -6.072 289 HD11 LEU 36 HD11 LEU 36 -0.814 -4.109 -4.798 290 HD12 LEU 36 HD12 LEU 36 -0.770 -5.567 -3.809 291 HD13 LEU 36 HD13 LEU 36 -2.112 -4.432 -3.644 292 HD21 LEU 36 HD21 LEU 36 -3.710 -6.352 -4.123 293 HD22 LEU 36 HD22 LEU 36 -2.302 -7.401 -4.218 294 HD23 LEU 36 HD23 LEU 36 -3.452 -7.347 -5.557 295 H LEU 37 HN LEU 37 0.004 -4.321 -7.199 296 HA LEU 37 HA LEU 37 0.787 -2.110 -5.629 297 HB2 LEU 37 HB2 LEU 37 2.346 -4.041 -7.311 298 HB3 LEU 37 HB1 LEU 37 3.093 -2.819 -6.300 299 HG LEU 37 HG LEU 37 1.265 -4.959 -5.229 300 HD11 LEU 37 HD11 LEU 37 3.235 -5.956 -6.250 301 HD12 LEU 37 HD12 LEU 37 3.296 -6.064 -4.491 302 HD13 LEU 37 HD13 LEU 37 4.256 -4.848 -5.336 303 HD21 LEU 37 HD21 LEU 37 1.454 -2.966 -3.832 304 HD22 LEU 37 HD22 LEU 37 3.208 -3.064 -3.911 305 HD23 LEU 37 HD23 LEU 37 2.292 -4.329 -3.094 306 H ASN 38 HN ASN 38 0.549 -2.701 -9.023 307 HA ASN 38 HA ASN 38 1.914 -0.312 -9.716 308 HB2 ASN 38 HB2 ASN 38 0.247 -2.215 -11.334 309 HB3 ASN 38 HB1 ASN 38 0.828 -0.694 -12.021 310 HD21 ASN 38 HD21 ASN 38 1.580 -3.586 -12.528 311 HD22 ASN 38 HD22 ASN 38 3.281 -3.572 -12.361 312 H GLU 39 HN GLU 39 -1.481 -1.091 -9.164 313 HA GLU 39 HA GLU 39 -2.401 1.493 -9.872 314 HB2 GLU 39 HB2 GLU 39 -3.615 -0.371 -7.791 315 HB3 GLU 39 HB1 GLU 39 -4.409 1.021 -8.501 316 HG2 GLU 39 HG2 GLU 39 -4.171 -0.166 -10.732 317 HG3 GLU 39 HG1 GLU 39 -3.718 -1.593 -9.807 318 H ILE 40 HN ILE 40 -1.309 0.046 -6.850 319 HA ILE 40 HA ILE 40 -1.519 2.276 -5.201 320 HB ILE 40 HB ILE 40 0.456 -0.033 -5.074 321 HG12 ILE 40 HG12 ILE 40 -2.063 0.521 -3.491 322 HG13 ILE 40 HG11 ILE 40 -1.924 -0.629 -4.814 323 HG21 ILE 40 HG21 ILE 40 1.422 1.829 -3.856 324 HG22 ILE 40 HG22 ILE 40 0.873 0.587 -2.730 325 HG23 ILE 40 HG23 ILE 40 -0.080 2.052 -2.959 326 HD11 ILE 40 HD11 ILE 40 -1.881 -1.731 -2.649 327 HD12 ILE 40 HD12 ILE 40 -0.467 -0.784 -2.180 328 HD13 ILE 40 HD13 ILE 40 -0.354 -1.949 -3.499 329 H ALA 41 HN ALA 41 1.187 1.280 -7.254 330 HA ALA 41 HA ALA 41 2.916 3.364 -6.531 331 HB1 ALA 41 HB1 ALA 41 3.661 1.346 -7.666 332 HB2 ALA 41 HB2 ALA 41 4.199 2.811 -8.492 333 HB3 ALA 41 HB3 ALA 41 2.848 1.873 -9.145 334 H SER 42 HN SER 42 0.334 3.260 -8.869 335 HA SER 42 HA SER 42 1.013 5.812 -9.957 336 HB2 SER 42 HB2 SER 42 -0.322 4.132 -11.245 337 HB3 SER 42 HB1 SER 42 -1.623 4.302 -10.073 338 HG SER 42 HG SER 42 -0.630 6.228 -11.884 339 H LEU 43 HN LEU 43 -0.958 4.720 -7.303 340 HA LEU 43 HA LEU 43 -2.272 7.150 -6.721 341 HB2 LEU 43 HB2 LEU 43 -1.309 5.051 -4.782 342 HB3 LEU 43 HB1 LEU 43 -2.503 6.282 -4.448 343 HG LEU 43 HG LEU 43 -2.830 4.000 -6.386 344 HD11 LEU 43 HD11 LEU 43 -4.462 3.227 -4.705 345 HD12 LEU 43 HD12 LEU 43 -3.857 4.488 -3.618 346 HD13 LEU 43 HD13 LEU 43 -2.798 3.202 -4.131 347 HD21 LEU 43 HD21 LEU 43 -4.111 5.981 -7.043 348 HD22 LEU 43 HD22 LEU 43 -4.806 6.056 -5.421 349 HD23 LEU 43 HD23 LEU 43 -5.163 4.687 -6.471 350 H LEU 44 HN LEU 44 0.715 5.725 -5.528 351 HA LEU 44 HA LEU 44 1.449 8.110 -4.116 352 HB2 LEU 44 HB2 LEU 44 3.006 5.612 -4.765 353 HB3 LEU 44 HB1 LEU 44 3.711 6.974 -3.942 354 HG LEU 44 HG LEU 44 1.995 6.567 -2.111 355 HD11 LEU 44 HD11 LEU 44 1.722 3.950 -3.544 356 HD12 LEU 44 HD12 LEU 44 0.457 5.154 -3.367 357 HD13 LEU 44 HD13 LEU 44 1.086 4.314 -1.941 358 HD21 LEU 44 HD21 LEU 44 4.325 6.013 -1.856 359 HD22 LEU 44 HD22 LEU 44 4.079 4.493 -2.710 360 HD23 LEU 44 HD23 LEU 44 3.327 4.747 -1.132 361 H GLY 45 HN GLY 45 2.157 9.837 -5.127 362 HA2 GLY 45 HA2 GLY 45 3.362 9.891 -7.701 363 HA3 GLY 45 HA1 GLY 45 3.407 11.192 -6.512 364 H VAL 46 HN VAL 46 4.757 7.989 -6.977 365 HA VAL 46 HA VAL 46 7.447 8.843 -6.097 366 HB VAL 46 HB VAL 46 7.691 6.691 -4.948 367 HG11 VAL 46 HG11 VAL 46 6.112 6.990 -3.075 368 HG12 VAL 46 HG12 VAL 46 5.296 8.242 -4.029 369 HG13 VAL 46 HG13 VAL 46 6.972 8.451 -3.546 370 HG21 VAL 46 HG21 VAL 46 6.235 5.277 -6.260 371 HG22 VAL 46 HG22 VAL 46 4.822 6.177 -5.748 372 HG23 VAL 46 HG23 VAL 46 5.712 5.201 -4.573 373 H LYS 47 HN LYS 47 8.765 6.505 -6.582 374 HA LYS 47 HA LYS 47 7.901 5.701 -9.264 375 HB2 LYS 47 HB2 LYS 47 10.227 5.106 -9.775 376 HB3 LYS 47 HB1 LYS 47 10.079 6.782 -9.317 377 HG2 LYS 47 HG2 LYS 47 11.044 6.369 -7.167 378 HG3 LYS 47 HG1 LYS 47 11.025 4.623 -7.448 379 HD2 LYS 47 HD2 LYS 47 12.572 4.874 -9.295 380 HD3 LYS 47 HD1 LYS 47 12.550 6.623 -9.108 381 HE2 LYS 47 HE2 LYS 47 13.614 6.435 -6.947 382 HE3 LYS 47 HE1 LYS 47 13.529 4.674 -7.019 383 HZ1 LYS 47 HZ1 LYS 47 15.739 5.452 -7.665 384 HZ2 LYS 47 HZ2 LYS 47 15.049 6.406 -8.888 385 HZ3 LYS 47 HZ3 LYS 47 14.941 4.736 -8.978 386 H LYS 48 HN LYS 48 8.420 3.396 -9.825 387 HA LYS 48 HA LYS 48 7.123 1.670 -8.035 388 HB2 LYS 48 HB2 LYS 48 7.098 1.347 -10.433 389 HB3 LYS 48 HB1 LYS 48 8.828 1.100 -10.460 390 HG2 LYS 48 HG2 LYS 48 7.967 -1.057 -10.680 391 HG3 LYS 48 HG1 LYS 48 8.386 -0.878 -8.974 392 HD2 LYS 48 HD2 LYS 48 6.127 -0.775 -8.290 393 HD3 LYS 48 HD1 LYS 48 5.551 -0.400 -9.913 394 HE2 LYS 48 HE2 LYS 48 6.009 -2.602 -10.686 395 HE3 LYS 48 HE1 LYS 48 6.842 -3.047 -9.178 396 HZ1 LYS 48 HZ1 LYS 48 4.711 -3.971 -9.340 397 HZ2 LYS 48 HZ2 LYS 48 3.998 -2.490 -9.698 398 HZ3 LYS 48 HZ3 LYS 48 4.627 -2.796 -8.121 399 H GLU 49 HN GLU 49 10.557 2.173 -8.692 400 HA GLU 49 HA GLU 49 11.715 -0.021 -7.469 401 HB2 GLU 49 HB2 GLU 49 12.717 2.798 -7.586 402 HB3 GLU 49 HB1 GLU 49 13.685 1.469 -6.980 403 HG2 GLU 49 HG2 GLU 49 13.499 0.380 -9.173 404 HG3 GLU 49 HG1 GLU 49 12.579 1.766 -9.758 405 H GLU 50 HN GLU 50 11.019 3.063 -5.885 406 HA GLU 50 HA GLU 50 12.027 2.278 -3.350 407 HB2 GLU 50 HB2 GLU 50 10.974 4.335 -2.531 408 HB3 GLU 50 HB1 GLU 50 11.877 4.624 -4.012 409 HG2 GLU 50 HG2 GLU 50 9.720 4.459 -5.262 410 HG3 GLU 50 HG1 GLU 50 8.909 4.349 -3.716 411 H LEU 51 HN LEU 51 8.886 2.179 -4.860 412 HA LEU 51 HA LEU 51 7.530 1.381 -2.503 413 HB2 LEU 51 HB2 LEU 51 6.363 2.443 -4.429 414 HB3 LEU 51 HB1 LEU 51 6.699 1.009 -5.379 415 HG LEU 51 HG LEU 51 5.359 -0.316 -3.739 416 HD11 LEU 51 HD11 LEU 51 3.800 0.873 -2.282 417 HD12 LEU 51 HD12 LEU 51 4.591 2.396 -2.690 418 HD13 LEU 51 HD13 LEU 51 5.480 1.144 -1.826 419 HD21 LEU 51 HD21 LEU 51 3.190 0.426 -4.592 420 HD22 LEU 51 HD22 LEU 51 4.417 0.372 -5.856 421 HD23 LEU 51 HD23 LEU 51 3.935 1.921 -5.161 422 H GLY 52 HN GLY 52 9.508 -0.139 -4.845 423 HA2 GLY 52 HA2 GLY 52 8.633 -2.812 -4.572 424 HA3 GLY 52 HA1 GLY 52 10.211 -2.293 -5.165 425 H ASP 53 HN ASP 53 11.083 -0.920 -2.983 426 HA ASP 53 HA ASP 53 12.064 -2.867 -1.186 427 HB2 ASP 53 HB2 ASP 53 11.603 0.080 -0.608 428 HB3 ASP 53 HB1 ASP 53 12.653 -0.989 0.305 429 H ARG 54 HN ARG 54 9.421 -0.616 -1.050 430 HA ARG 54 HA ARG 54 8.489 -1.561 1.432 431 HB2 ARG 54 HB2 ARG 54 8.094 0.777 0.437 432 HB3 ARG 54 HB1 ARG 54 6.779 0.025 -0.460 433 HG2 ARG 54 HG2 ARG 54 5.722 -0.678 1.606 434 HG3 ARG 54 HG1 ARG 54 7.056 -0.006 2.537 435 HD2 ARG 54 HD2 ARG 54 6.490 2.224 1.594 436 HD3 ARG 54 HD1 ARG 54 5.066 1.495 0.849 437 HE ARG 54 HE ARG 54 5.351 1.057 3.692 438 HH11 ARG 54 HH11 ARG 54 3.915 3.136 1.243 439 HH12 ARG 54 HH12 ARG 54 2.755 3.814 2.306 440 HH21 ARG 54 HH21 ARG 54 3.727 1.934 5.126 441 HH22 ARG 54 HH22 ARG 54 2.627 3.085 4.529 442 H ILE 55 HN ILE 55 8.167 -2.844 -1.704 443 HA ILE 55 HA ILE 55 5.681 -4.205 -1.389 444 HB ILE 55 HB ILE 55 8.033 -4.761 -3.236 445 HG12 ILE 55 HG12 ILE 55 5.262 -3.707 -3.811 446 HG13 ILE 55 HG11 ILE 55 6.715 -2.729 -3.707 447 HG21 ILE 55 HG21 ILE 55 6.950 -6.900 -2.823 448 HG22 ILE 55 HG22 ILE 55 6.620 -6.357 -4.469 449 HG23 ILE 55 HG23 ILE 55 5.381 -6.204 -3.227 450 HD11 ILE 55 HD11 ILE 55 6.164 -4.878 -5.739 451 HD12 ILE 55 HD12 ILE 55 7.624 -3.927 -5.685 452 HD13 ILE 55 HD13 ILE 55 6.076 -3.147 -6.026 453 H ALA 56 HN ALA 56 9.037 -5.040 -0.791 454 HA ALA 56 HA ALA 56 8.529 -7.675 0.161 455 HB1 ALA 56 HB1 ALA 56 10.802 -6.902 -0.374 456 HB2 ALA 56 HB2 ALA 56 10.722 -7.481 1.290 457 HB3 ALA 56 HB3 ALA 56 10.728 -5.751 0.958 458 H GLN 57 HN GLN 57 8.727 -4.542 1.692 459 HA GLN 57 HA GLN 57 8.138 -5.275 4.338 460 HB2 GLN 57 HB2 GLN 57 8.948 -3.014 3.343 461 HB3 GLN 57 HB1 GLN 57 7.262 -2.703 3.008 462 HG2 GLN 57 HG2 GLN 57 8.419 -3.138 5.767 463 HG3 GLN 57 HG1 GLN 57 8.125 -1.570 5.037 464 HE21 GLN 57 HE21 GLN 57 6.782 -4.250 6.665 465 HE22 GLN 57 HE22 GLN 57 5.178 -3.634 6.819 466 H PHE 58 HN PHE 58 6.127 -4.583 1.561 467 HA PHE 58 HA PHE 58 3.634 -4.638 2.819 468 HB2 PHE 58 HB2 PHE 58 4.048 -3.605 0.622 469 HB3 PHE 58 HB1 PHE 58 4.292 -5.200 -0.064 470 HD1 PHE 58 HD1 PHE 58 1.671 -3.768 2.186 471 HD2 PHE 58 HD2 PHE 58 2.574 -5.719 -1.471 472 HE1 PHE 58 HE1 PHE 58 -0.714 -3.864 1.661 473 HE2 PHE 58 HE2 PHE 58 0.183 -5.825 -2.007 474 HZ PHE 58 HZ PHE 58 -1.471 -4.892 -0.445 475 H TYR 59 HN TYR 59 5.662 -7.180 1.490 476 HA TYR 59 HA TYR 59 3.685 -9.165 1.624 477 HB2 TYR 59 HB2 TYR 59 6.618 -9.217 1.432 478 HB3 TYR 59 HB1 TYR 59 5.941 -10.595 2.298 479 HD1 TYR 59 HD2 TYR 59 3.982 -11.810 1.167 480 HD2 TYR 59 HD1 TYR 59 6.665 -9.257 -0.923 481 HE1 TYR 59 HE2 TYR 59 3.326 -12.876 -0.935 482 HE2 TYR 59 HE1 TYR 59 6.008 -10.321 -3.049 483 HH TYR 59 HH TYR 59 5.022 -12.398 -3.841 484 H THR 60 HN THR 60 5.891 -7.932 4.048 485 HA THR 60 HA THR 60 4.932 -9.575 6.139 486 HB THR 60 HB THR 60 5.993 -6.757 6.371 487 HG1 THR 60 HG1 THR 60 7.882 -7.452 5.849 488 HG21 THR 60 HG21 THR 60 5.144 -7.777 8.440 489 HG22 THR 60 HG22 THR 60 6.895 -7.571 8.493 490 HG23 THR 60 HG23 THR 60 6.205 -9.165 8.189 491 H ASP 61 HN ASP 61 4.178 -6.238 5.243 492 HA ASP 61 HA ASP 61 2.329 -5.449 7.167 493 HB2 ASP 61 HB2 ASP 61 3.597 -4.091 5.392 494 HB3 ASP 61 HB1 ASP 61 2.344 -4.597 4.278 495 H LEU 62 HN LEU 62 1.737 -6.890 4.020 496 HA LEU 62 HA LEU 62 -1.105 -6.802 4.156 497 HB2 LEU 62 HB2 LEU 62 0.120 -6.664 2.078 498 HB3 LEU 62 HB1 LEU 62 0.757 -8.269 2.327 499 HG LEU 62 HG LEU 62 -1.526 -9.181 2.091 500 HD11 LEU 62 HD11 LEU 62 -2.218 -6.328 1.420 501 HD12 LEU 62 HD12 LEU 62 -2.793 -7.246 2.817 502 HD13 LEU 62 HD13 LEU 62 -3.271 -7.720 1.188 503 HD21 LEU 62 HD21 LEU 62 -0.562 -7.442 -0.168 504 HD22 LEU 62 HD22 LEU 62 -1.676 -8.802 -0.310 505 HD23 LEU 62 HD23 LEU 62 -0.011 -9.077 0.199 506 H ASN 63 HN ASN 63 1.287 -9.425 4.663 507 HA ASN 63 HA ASN 63 -0.830 -11.371 4.693 508 HB2 ASN 63 HB2 ASN 63 2.124 -11.705 5.122 509 HB3 ASN 63 HB1 ASN 63 0.994 -13.028 5.387 510 HD21 ASN 63 HD21 ASN 63 2.605 -11.104 3.085 511 HD22 ASN 63 HD22 ASN 63 2.075 -11.934 1.658 512 H ILE 64 HN ILE 64 0.029 -9.298 6.982 513 HA ILE 64 HA ILE 64 -0.717 -11.149 9.127 514 HB ILE 64 HB ILE 64 -0.013 -9.341 10.698 515 HG12 ILE 64 HG12 ILE 64 0.928 -7.964 8.161 516 HG13 ILE 64 HG11 ILE 64 -0.333 -7.398 9.244 517 HG21 ILE 64 HG21 ILE 64 2.096 -10.250 8.746 518 HG22 ILE 64 HG22 ILE 64 1.520 -11.137 10.156 519 HG23 ILE 64 HG23 ILE 64 2.404 -9.626 10.366 520 HD11 ILE 64 HD11 ILE 64 1.744 -6.159 9.523 521 HD12 ILE 64 HD12 ILE 64 2.592 -7.650 9.928 522 HD13 ILE 64 HD13 ILE 64 1.328 -7.035 10.994 523 H ASP 65 HN ASP 65 -2.287 -9.394 6.986 524 HA ASP 65 HA ASP 65 -4.086 -8.003 8.819 525 HB2 ASP 65 HB2 ASP 65 -3.276 -6.878 6.717 526 HB3 ASP 65 HB1 ASP 65 -4.168 -8.124 5.824 527 H GLY 66 HN GLY 66 -6.377 -8.368 8.794 528 HA2 GLY 66 HA2 GLY 66 -7.113 -11.067 7.874 529 HA3 GLY 66 HA1 GLY 66 -7.697 -10.336 9.387 530 H ARG 67 HN ARG 67 -7.567 -7.992 6.962 531 HA ARG 67 HA ARG 67 -10.448 -8.250 6.474 532 HB2 ARG 67 HB2 ARG 67 -8.481 -6.000 5.993 533 HB3 ARG 67 HB1 ARG 67 -10.194 -5.930 5.613 534 HG2 ARG 67 HG2 ARG 67 -10.804 -5.926 7.876 535 HG3 ARG 67 HG1 ARG 67 -9.198 -6.458 8.384 536 HD2 ARG 67 HD2 ARG 67 -9.815 -3.816 7.075 537 HD3 ARG 67 HD1 ARG 67 -9.584 -4.056 8.811 538 HE ARG 67 HE ARG 67 -7.346 -5.120 7.581 539 HH11 ARG 67 HH11 ARG 67 -8.793 -1.881 7.720 540 HH12 ARG 67 HH12 ARG 67 -7.261 -1.114 7.632 541 HH21 ARG 67 HH21 ARG 67 -5.406 -4.089 7.523 542 HH22 ARG 67 HH22 ARG 67 -5.275 -2.359 7.561 543 H PHE 68 HN PHE 68 -7.295 -8.146 5.130 544 HA PHE 68 HA PHE 68 -8.116 -8.372 2.440 545 HB2 PHE 68 HB2 PHE 68 -5.620 -8.095 3.862 546 HB3 PHE 68 HB1 PHE 68 -5.506 -9.231 2.514 547 HD1 PHE 68 HD2 PHE 68 -6.351 -5.778 3.458 548 HD2 PHE 68 HD1 PHE 68 -5.653 -8.532 0.305 549 HE1 PHE 68 HE2 PHE 68 -6.282 -3.926 1.844 550 HE2 PHE 68 HE1 PHE 68 -5.584 -6.697 -1.303 551 HZ PHE 68 HZ PHE 68 -5.899 -4.407 -0.549 552 H LEU 69 HN LEU 69 -7.605 -10.025 1.084 553 HA LEU 69 HA LEU 69 -7.636 -12.718 2.182 554 HB2 LEU 69 HB2 LEU 69 -9.864 -12.430 1.998 555 HB3 LEU 69 HB1 LEU 69 -9.766 -11.262 0.717 556 HG LEU 69 HG LEU 69 -9.209 -13.197 -0.832 557 HD11 LEU 69 HD11 LEU 69 -9.856 -15.442 -0.116 558 HD12 LEU 69 HD12 LEU 69 -10.061 -14.853 1.536 559 HD13 LEU 69 HD13 LEU 69 -8.467 -14.828 0.778 560 HD21 LEU 69 HD21 LEU 69 -11.570 -13.925 -0.958 561 HD22 LEU 69 HD22 LEU 69 -11.381 -12.175 -0.784 562 HD23 LEU 69 HD23 LEU 69 -11.833 -13.152 0.610 563 H ALA 70 HN ALA 70 -6.262 -13.942 0.931 564 HA ALA 70 HA ALA 70 -5.624 -12.959 -1.735 565 HB1 ALA 70 HB1 ALA 70 -4.053 -14.859 -1.865 566 HB2 ALA 70 HB2 ALA 70 -4.488 -15.327 -0.226 567 HB3 ALA 70 HB3 ALA 70 -3.662 -13.785 -0.517 568 H LEU 71 HN LEU 71 -6.884 -13.548 -3.220 569 HA LEU 71 HA LEU 71 -8.689 -15.699 -2.985 570 HB2 LEU 71 HB2 LEU 71 -7.798 -14.049 -5.362 571 HB3 LEU 71 HB1 LEU 71 -9.211 -15.108 -5.319 572 HG LEU 71 HG LEU 71 -8.867 -12.786 -3.449 573 HD11 LEU 71 HD11 LEU 71 -10.131 -12.862 -6.150 574 HD12 LEU 71 HD12 LEU 71 -8.673 -11.960 -5.713 575 HD13 LEU 71 HD13 LEU 71 -10.236 -11.524 -5.009 576 HD21 LEU 71 HD21 LEU 71 -11.262 -14.220 -4.523 577 HD22 LEU 71 HD22 LEU 71 -11.230 -12.879 -3.375 578 HD23 LEU 71 HD23 LEU 71 -10.562 -14.453 -2.909 579 H SER 72 HN SER 72 -8.621 -17.386 -4.752 580 HA SER 72 HA SER 72 -6.626 -19.155 -4.092 581 HB2 SER 72 HB2 SER 72 -8.324 -19.272 -6.562 582 HB3 SER 72 HB1 SER 72 -7.551 -20.628 -5.744 583 HG SER 72 HG SER 72 -9.512 -18.909 -4.567 584 H ASP 73 HN ASP 73 -6.158 -16.655 -6.385 585 HA ASP 73 HA ASP 73 -3.888 -18.160 -7.438 586 HB2 ASP 73 HB2 ASP 73 -5.674 -17.974 -9.154 587 HB3 ASP 73 HB1 ASP 73 -5.608 -16.227 -9.024 588 H GLN 74 HN GLN 74 -4.055 -16.339 -5.221 589 HA GLN 74 HA GLN 74 -2.741 -14.838 -4.164 590 HB2 GLN 74 HB2 GLN 74 -0.964 -15.107 -6.611 591 HB3 GLN 74 HB1 GLN 74 -0.552 -14.073 -5.260 592 HG2 GLN 74 HG2 GLN 74 0.644 -16.201 -5.148 593 HG3 GLN 74 HG1 GLN 74 -0.453 -16.027 -3.782 594 HE21 GLN 74 HE21 GLN 74 -2.169 -17.420 -3.575 595 HE22 GLN 74 HE22 GLN 74 -2.414 -18.770 -4.615 596 H THR 75 HN THR 75 -4.740 -14.264 -6.184 597 HA THR 75 HA THR 75 -4.281 -11.507 -6.805 598 HB THR 75 HB THR 75 -6.871 -11.818 -7.274 599 HG1 THR 75 HG1 THR 75 -7.535 -13.871 -7.414 600 HG21 THR 75 HG21 THR 75 -6.362 -12.736 -9.498 601 HG22 THR 75 HG22 THR 75 -4.764 -13.224 -8.930 602 HG23 THR 75 HG23 THR 75 -5.185 -11.513 -9.030 603 H TRP 76 HN TRP 76 -4.797 -9.909 -5.334 604 HA TRP 76 HA TRP 76 -5.832 -10.990 -2.866 605 HB2 TRP 76 HB2 TRP 76 -4.253 -8.474 -3.389 606 HB3 TRP 76 HB1 TRP 76 -4.975 -8.859 -1.828 607 HD1 TRP 76 HD1 TRP 76 -2.178 -10.035 -4.192 608 HE1 TRP 76 HE1 TRP 76 -0.532 -11.517 -2.861 609 HE3 TRP 76 HE3 TRP 76 -4.751 -10.357 0.217 610 HZ2 TRP 76 HZ2 TRP 76 -0.353 -12.655 -0.294 611 HZ3 TRP 76 HZ3 TRP 76 -3.772 -11.654 2.059 612 HH2 TRP 76 HH2 TRP 76 -1.620 -12.780 1.809 613 H GLY 77 HN GLY 77 -7.312 -9.818 -1.646 614 HA2 GLY 77 HA2 GLY 77 -8.897 -7.839 -2.962 615 HA3 GLY 77 HA1 GLY 77 -9.612 -9.437 -2.884 616 H LEU 78 HN LEU 78 -11.237 -8.528 -1.586 617 HA LEU 78 HA LEU 78 -10.407 -8.033 1.181 618 HB2 LEU 78 HB2 LEU 78 -12.812 -6.926 -0.255 619 HB3 LEU 78 HB1 LEU 78 -12.458 -6.697 1.443 620 HG LEU 78 HG LEU 78 -10.855 -5.638 -0.877 621 HD11 LEU 78 HD11 LEU 78 -11.591 -3.451 -0.074 622 HD12 LEU 78 HD12 LEU 78 -12.572 -4.234 1.165 623 HD13 LEU 78 HD13 LEU 78 -12.955 -4.466 -0.542 624 HD21 LEU 78 HD21 LEU 78 -9.377 -6.191 0.976 625 HD22 LEU 78 HD22 LEU 78 -10.422 -5.316 2.093 626 HD23 LEU 78 HD23 LEU 78 -9.550 -4.442 0.833 627 H ARG 79 HN ARG 79 -11.410 -9.032 2.738 628 HA ARG 79 HA ARG 79 -12.785 -11.459 2.201 629 HB2 ARG 79 HB2 ARG 79 -11.152 -11.248 3.963 630 HB3 ARG 79 HB1 ARG 79 -12.038 -9.935 4.691 631 HG2 ARG 79 HG2 ARG 79 -13.735 -11.458 5.465 632 HG3 ARG 79 HG1 ARG 79 -12.974 -12.797 4.586 633 HD2 ARG 79 HD2 ARG 79 -11.031 -12.682 5.871 634 HD3 ARG 79 HD1 ARG 79 -11.482 -11.154 6.593 635 HE ARG 79 HE ARG 79 -13.106 -13.565 7.118 636 HH11 ARG 79 HH11 ARG 79 -10.759 -11.241 8.421 637 HH12 ARG 79 HH12 ARG 79 -10.959 -11.746 10.035 638 HH21 ARG 79 HH21 ARG 79 -13.346 -14.258 9.329 639 HH22 ARG 79 HH22 ARG 79 -12.486 -13.491 10.566 640 H SER 80 HN SER 80 -13.766 -8.269 2.567 641 HA SER 80 HA SER 80 -16.227 -8.476 3.877 642 HB2 SER 80 HB2 SER 80 -15.423 -6.477 1.793 643 HB3 SER 80 HB1 SER 80 -16.471 -6.233 3.195 644 HG SER 80 HG SER 80 -14.577 -6.781 4.477 645 H TRP 81 HN TRP 81 -15.268 -9.192 0.579 646 HA TRP 81 HA TRP 81 -17.837 -8.721 -0.618 647 HB2 TRP 81 HB2 TRP 81 -15.562 -10.384 -1.644 648 HB3 TRP 81 HB1 TRP 81 -16.960 -9.859 -2.560 649 HD1 TRP 81 HD1 TRP 81 -16.935 -6.767 -1.829 650 HE1 TRP 81 HE1 TRP 81 -15.063 -5.305 -2.803 651 HE3 TRP 81 HE3 TRP 81 -13.471 -10.445 -2.714 652 HZ2 TRP 81 HZ2 TRP 81 -12.461 -5.682 -3.871 653 HZ3 TRP 81 HZ3 TRP 81 -11.355 -9.798 -3.785 654 HH2 TRP 81 HH2 TRP 81 -10.861 -7.441 -4.321 655 H TYR 82 HN TYR 82 -16.049 -11.567 0.394 656 HA TYR 82 HA TYR 82 -18.255 -13.257 -0.498 657 HB2 TYR 82 HB2 TYR 82 -15.450 -14.038 0.282 658 HB3 TYR 82 HB1 TYR 82 -16.653 -15.080 -0.468 659 HD1 TYR 82 HD2 TYR 82 -17.283 -14.530 -2.825 660 HD2 TYR 82 HD1 TYR 82 -13.956 -12.788 -0.934 661 HE1 TYR 82 HE2 TYR 82 -16.346 -13.963 -5.039 662 HE2 TYR 82 HE1 TYR 82 -12.992 -12.219 -3.098 663 HH TYR 82 HH TYR 82 -13.186 -13.047 -5.534 Start of MODEL 19 1 H1 GLY 2 HT1 GLY 2 -11.816 4.598 -3.529 2 H2 GLY 2 HT2 GLY 2 -10.415 3.673 -3.251 3 H3 GLY 2 HT3 GLY 2 -10.517 4.692 -4.593 4 HA2 GLY 2 HA1 GLY 2 -10.659 6.633 -3.160 5 HA3 GLY 2 HA2 GLY 2 -10.505 5.585 -1.758 6 H ILE 3 HN ILE 3 -8.709 6.897 -1.273 7 HA ILE 3 HA ILE 3 -6.604 7.336 -0.929 8 HB ILE 3 HB ILE 3 -6.432 4.713 -1.071 9 HG12 ILE 3 HG12 ILE 3 -4.010 4.750 -0.685 10 HG13 ILE 3 HG11 ILE 3 -3.923 6.394 -1.289 11 HG21 ILE 3 HG21 ILE 3 -4.827 3.854 -2.718 12 HG22 ILE 3 HG22 ILE 3 -4.792 5.434 -3.502 13 HG23 ILE 3 HG23 ILE 3 -6.279 4.487 -3.495 14 HD11 ILE 3 HD11 ILE 3 -3.878 6.281 1.141 15 HD12 ILE 3 HD12 ILE 3 -5.447 5.474 1.150 16 HD13 ILE 3 HD13 ILE 3 -5.308 7.141 0.590 17 H LYS 4 HN LYS 4 -7.515 7.016 -4.134 18 HA LYS 4 HA LYS 4 -5.342 8.119 -5.508 19 HB2 LYS 4 HB2 LYS 4 -6.944 8.447 -7.349 20 HB3 LYS 4 HB1 LYS 4 -7.019 6.840 -6.639 21 HG2 LYS 4 HG2 LYS 4 -8.991 7.498 -5.348 22 HG3 LYS 4 HG1 LYS 4 -8.928 9.104 -6.069 23 HD2 LYS 4 HD2 LYS 4 -9.279 8.112 -8.283 24 HD3 LYS 4 HD1 LYS 4 -9.323 6.508 -7.551 25 HE2 LYS 4 HE2 LYS 4 -11.261 7.180 -6.205 26 HE3 LYS 4 HE1 LYS 4 -11.249 8.761 -6.979 27 HZ1 LYS 4 HZ1 LYS 4 -11.609 6.159 -8.328 28 HZ2 LYS 4 HZ2 LYS 4 -11.710 7.692 -9.089 29 HZ3 LYS 4 HZ3 LYS 4 -12.864 7.229 -7.955 30 H GLN 5 HN GLN 5 -7.620 9.725 -3.527 31 HA GLN 5 HA GLN 5 -7.146 12.197 -4.997 32 HB2 GLN 5 HB2 GLN 5 -9.175 13.102 -3.841 33 HB3 GLN 5 HB1 GLN 5 -9.444 11.798 -4.981 34 HG2 GLN 5 HG2 GLN 5 -9.519 10.237 -3.032 35 HG3 GLN 5 HG1 GLN 5 -9.497 11.659 -1.988 36 HE21 GLN 5 HE21 GLN 5 -11.515 9.627 -2.403 37 HE22 GLN 5 HE22 GLN 5 -12.971 10.455 -2.862 38 H TYR 6 HN TYR 6 -5.590 10.873 -2.769 39 HA TYR 6 HA TYR 6 -5.299 13.226 -1.019 40 HB2 TYR 6 HB2 TYR 6 -3.879 10.549 -1.015 41 HB3 TYR 6 HB1 TYR 6 -3.567 11.847 0.121 42 HD1 TYR 6 HD1 TYR 6 -6.158 9.471 -1.024 43 HD2 TYR 6 HD2 TYR 6 -4.842 12.034 2.085 44 HE1 TYR 6 HE1 TYR 6 -7.853 8.520 0.468 45 HE2 TYR 6 HE2 TYR 6 -6.544 11.089 3.588 46 HH TYR 6 HH TYR 6 -8.193 8.251 2.862 47 H SER 7 HN SER 7 -2.948 13.925 -0.713 48 HA SER 7 HA SER 7 -1.648 13.917 -3.330 49 HB2 SER 7 HB2 SER 7 -1.448 15.880 -1.029 50 HB3 SER 7 HB1 SER 7 -0.538 16.003 -2.543 51 HG SER 7 HG SER 7 -3.122 16.613 -1.936 52 H GLN 8 HN GLN 8 0.822 14.383 -2.951 53 HA GLN 8 HA GLN 8 1.759 11.813 -2.641 54 HB2 GLN 8 HB2 GLN 8 2.777 13.477 -4.056 55 HB3 GLN 8 HB1 GLN 8 3.303 14.387 -2.645 56 HG2 GLN 8 HG2 GLN 8 4.730 12.550 -1.984 57 HG3 GLN 8 HG1 GLN 8 4.102 11.626 -3.356 58 HE21 GLN 8 HE21 GLN 8 4.138 13.843 -5.235 59 HE22 GLN 8 HE22 GLN 8 5.791 14.142 -5.573 60 H GLU 9 HN GLU 9 2.296 14.529 -0.400 61 HA GLU 9 HA GLU 9 3.978 13.232 1.387 62 HB2 GLU 9 HB2 GLU 9 2.044 15.523 1.820 63 HB3 GLU 9 HB1 GLU 9 3.281 15.040 2.959 64 HG2 GLU 9 HG2 GLU 9 4.049 16.974 1.721 65 HG3 GLU 9 HG1 GLU 9 4.965 15.514 1.331 66 H GLU 10 HN GLU 10 0.590 13.658 1.321 67 HA GLU 10 HA GLU 10 -0.259 12.370 3.675 68 HB2 GLU 10 HB2 GLU 10 -1.392 12.963 1.056 69 HB3 GLU 10 HB1 GLU 10 -2.290 11.824 2.017 70 HG2 GLU 10 HG2 GLU 10 -2.541 13.501 3.758 71 HG3 GLU 10 HG1 GLU 10 -1.386 14.563 2.958 72 H LEU 11 HN LEU 11 0.013 11.116 0.437 73 HA LEU 11 HA LEU 11 -0.740 8.482 1.006 74 HB2 LEU 11 HB2 LEU 11 0.899 9.643 -1.244 75 HB3 LEU 11 HB1 LEU 11 0.254 8.006 -1.216 76 HG LEU 11 HG LEU 11 -1.554 10.390 -0.951 77 HD11 LEU 11 HD11 LEU 11 -0.870 8.947 -3.499 78 HD12 LEU 11 HD12 LEU 11 -0.296 10.564 -3.070 79 HD13 LEU 11 HD13 LEU 11 -2.016 10.267 -3.292 80 HD21 LEU 11 HD21 LEU 11 -2.467 8.284 -0.237 81 HD22 LEU 11 HD22 LEU 11 -1.939 7.521 -1.733 82 HD23 LEU 11 HD23 LEU 11 -3.200 8.748 -1.776 83 H LYS 12 HN LYS 12 2.375 10.064 0.907 84 HA LYS 12 HA LYS 12 4.139 7.973 1.296 85 HB2 LYS 12 HB2 LYS 12 4.067 10.830 2.154 86 HB3 LYS 12 HB1 LYS 12 5.409 9.857 2.676 87 HG2 LYS 12 HG2 LYS 12 4.644 10.148 -0.215 88 HG3 LYS 12 HG1 LYS 12 5.715 11.284 0.606 89 HD2 LYS 12 HD2 LYS 12 7.229 9.427 1.157 90 HD3 LYS 12 HD1 LYS 12 6.168 8.310 0.296 91 HE2 LYS 12 HE2 LYS 12 6.586 9.421 -1.782 92 HE3 LYS 12 HE1 LYS 12 7.445 10.727 -0.973 93 HZ1 LYS 12 HZ1 LYS 12 8.406 7.884 -1.113 94 HZ2 LYS 12 HZ2 LYS 12 9.174 9.175 -0.355 95 HZ3 LYS 12 HZ3 LYS 12 8.957 9.198 -2.008 96 H GLU 13 HN GLU 13 1.968 9.481 3.602 97 HA GLU 13 HA GLU 13 3.193 8.115 5.874 98 HB2 GLU 13 HB2 GLU 13 0.929 10.090 5.739 99 HB3 GLU 13 HB1 GLU 13 1.657 9.470 7.210 100 HG2 GLU 13 HG2 GLU 13 3.024 11.119 5.113 101 HG3 GLU 13 HG1 GLU 13 2.444 11.689 6.676 102 H MET 14 HN MET 14 1.168 7.069 3.615 103 HA MET 14 HA MET 14 -0.832 6.001 5.447 104 HB2 MET 14 HB2 MET 14 -0.756 6.063 2.433 105 HB3 MET 14 HB1 MET 14 -1.996 5.220 3.348 106 HG2 MET 14 HG2 MET 14 -1.420 8.171 3.495 107 HG3 MET 14 HG1 MET 14 -2.714 7.436 2.553 108 HE1 MET 14 HE1 MET 14 -4.605 9.217 5.507 109 HE2 MET 14 HE2 MET 14 -4.443 9.086 3.757 110 HE3 MET 14 HE3 MET 14 -3.135 9.781 4.713 111 H ALA 15 HN ALA 15 -1.215 3.859 5.707 112 HA ALA 15 HA ALA 15 1.083 2.177 5.533 113 HB1 ALA 15 HB1 ALA 15 -0.284 0.552 6.722 114 HB2 ALA 15 HB2 ALA 15 -1.716 1.540 6.440 115 HB3 ALA 15 HB3 ALA 15 -0.415 2.147 7.464 116 H LEU 16 HN LEU 16 1.227 0.199 4.493 117 HA LEU 16 HA LEU 16 0.557 0.307 1.784 118 HB2 LEU 16 HB2 LEU 16 1.562 -2.023 3.421 119 HB3 LEU 16 HB1 LEU 16 1.421 -2.031 1.680 120 HG LEU 16 HG LEU 16 3.690 -1.733 2.169 121 HD11 LEU 16 HD11 LEU 16 2.956 -0.386 0.354 122 HD12 LEU 16 HD12 LEU 16 4.260 0.420 1.226 123 HD13 LEU 16 HD13 LEU 16 2.595 0.957 1.443 124 HD21 LEU 16 HD21 LEU 16 3.557 -1.053 4.510 125 HD22 LEU 16 HD22 LEU 16 2.985 0.546 4.028 126 HD23 LEU 16 HD23 LEU 16 4.613 0.028 3.604 127 H VAL 17 HN VAL 17 -0.690 -1.822 4.330 128 HA VAL 17 HA VAL 17 -2.458 -3.209 2.655 129 HB VAL 17 HB VAL 17 -1.715 -4.064 4.866 130 HG11 VAL 17 HG11 VAL 17 -3.645 -2.082 6.046 131 HG12 VAL 17 HG12 VAL 17 -1.894 -2.054 6.214 132 HG13 VAL 17 HG13 VAL 17 -2.826 -3.369 6.932 133 HG21 VAL 17 HG21 VAL 17 -3.600 -5.127 3.810 134 HG22 VAL 17 HG22 VAL 17 -4.697 -3.923 4.483 135 HG23 VAL 17 HG23 VAL 17 -3.876 -5.058 5.554 136 H GLU 18 HN GLU 18 -2.853 -0.207 4.390 137 HA GLU 18 HA GLU 18 -5.681 -0.182 4.034 138 HB2 GLU 18 HB2 GLU 18 -3.836 2.090 4.832 139 HB3 GLU 18 HB1 GLU 18 -5.597 2.142 4.898 140 HG2 GLU 18 HG2 GLU 18 -5.536 0.214 6.477 141 HG3 GLU 18 HG1 GLU 18 -3.784 0.336 6.490 142 H ILE 19 HN ILE 19 -2.953 1.348 2.394 143 HA ILE 19 HA ILE 19 -4.345 2.796 0.433 144 HB ILE 19 HB ILE 19 -1.684 1.347 0.230 145 HG12 ILE 19 HG12 ILE 19 -2.262 4.275 0.724 146 HG13 ILE 19 HG11 ILE 19 -1.804 3.112 1.962 147 HG21 ILE 19 HG21 ILE 19 -1.163 2.811 -1.677 148 HG22 ILE 19 HG22 ILE 19 -2.814 3.426 -1.653 149 HG23 ILE 19 HG23 ILE 19 -2.512 1.726 -2.009 150 HD11 ILE 19 HD11 ILE 19 0.343 2.782 0.854 151 HD12 ILE 19 HD12 ILE 19 0.089 4.475 1.274 152 HD13 ILE 19 HD13 ILE 19 -0.123 3.936 -0.393 153 H ALA 20 HN ALA 20 -3.152 -0.509 0.425 154 HA ALA 20 HA ALA 20 -4.063 -1.250 -2.111 155 HB1 ALA 20 HB1 ALA 20 -3.723 -3.549 -1.391 156 HB2 ALA 20 HB2 ALA 20 -3.647 -3.024 0.291 157 HB3 ALA 20 HB3 ALA 20 -2.393 -2.527 -0.844 158 H HIS 21 HN HIS 21 -5.651 -1.462 1.058 159 HA HIS 21 HA HIS 21 -7.960 -2.805 0.244 160 HB2 HIS 21 HB2 HIS 21 -7.628 -2.473 2.617 161 HB3 HIS 21 HB1 HIS 21 -7.606 -0.717 2.370 162 HD1 HIS 21 HD1 HIS 21 -9.870 0.511 2.503 163 HD2 HIS 21 HD2 HIS 21 -10.329 -3.628 2.327 164 HE1 HIS 21 HE1 HIS 21 -12.282 0.084 2.828 165 HE2 HIS 21 HE2 HIS 21 -12.530 -2.261 2.141 166 H GLU 22 HN GLU 22 -7.270 0.651 0.257 167 HA GLU 22 HA GLU 22 -9.795 1.561 -0.566 168 HB2 GLU 22 HB2 GLU 22 -7.103 2.762 -1.101 169 HB3 GLU 22 HB1 GLU 22 -8.634 3.628 -1.155 170 HG2 GLU 22 HG2 GLU 22 -7.302 2.433 1.273 171 HG3 GLU 22 HG1 GLU 22 -7.528 4.143 0.926 172 H LEU 23 HN LEU 23 -7.037 0.452 -2.309 173 HA LEU 23 HA LEU 23 -7.705 1.211 -4.927 174 HB2 LEU 23 HB2 LEU 23 -5.490 0.511 -4.129 175 HB3 LEU 23 HB1 LEU 23 -6.095 -1.100 -3.858 176 HG LEU 23 HG LEU 23 -6.249 -1.474 -6.301 177 HD11 LEU 23 HD11 LEU 23 -5.178 1.347 -6.488 178 HD12 LEU 23 HD12 LEU 23 -6.825 0.866 -6.908 179 HD13 LEU 23 HD13 LEU 23 -5.459 0.233 -7.825 180 HD21 LEU 23 HD21 LEU 23 -4.193 -1.888 -5.084 181 HD22 LEU 23 HD22 LEU 23 -3.690 -0.231 -5.389 182 HD23 LEU 23 HD23 LEU 23 -3.877 -1.361 -6.742 183 H PHE 24 HN PHE 24 -8.141 -1.850 -3.183 184 HA PHE 24 HA PHE 24 -9.593 -3.078 -5.307 185 HB2 PHE 24 HB2 PHE 24 -9.128 -3.863 -2.462 186 HB3 PHE 24 HB1 PHE 24 -10.143 -4.807 -3.545 187 HD1 PHE 24 HD1 PHE 24 -6.752 -3.633 -2.874 188 HD2 PHE 24 HD2 PHE 24 -9.228 -6.132 -5.223 189 HE1 PHE 24 HE1 PHE 24 -4.764 -4.799 -3.732 190 HE2 PHE 24 HE2 PHE 24 -7.263 -7.301 -6.072 191 HZ PHE 24 HZ PHE 24 -5.043 -6.647 -5.345 192 H GLU 25 HN GLU 25 -10.503 -1.364 -2.419 193 HA GLU 25 HA GLU 25 -13.193 -2.161 -2.323 194 HB2 GLU 25 HB2 GLU 25 -11.793 -0.996 -0.534 195 HB3 GLU 25 HB1 GLU 25 -12.101 0.496 -1.403 196 HG2 GLU 25 HG2 GLU 25 -13.619 0.281 0.451 197 HG3 GLU 25 HG1 GLU 25 -14.513 0.168 -1.066 198 H GLU 26 HN GLU 26 -11.492 0.328 -4.077 199 HA GLU 26 HA GLU 26 -13.822 1.638 -5.062 200 HB2 GLU 26 HB2 GLU 26 -11.627 2.741 -4.851 201 HB3 GLU 26 HB1 GLU 26 -10.995 1.686 -6.107 202 HG2 GLU 26 HG2 GLU 26 -12.579 2.622 -7.698 203 HG3 GLU 26 HG1 GLU 26 -13.228 3.665 -6.437 204 H HIS 27 HN HIS 27 -11.578 -0.752 -6.324 205 HA HIS 27 HA HIS 27 -12.755 -0.825 -8.930 206 HB2 HIS 27 HB2 HIS 27 -10.952 -2.878 -7.631 207 HB3 HIS 27 HB1 HIS 27 -11.442 -2.903 -9.315 208 HD1 HIS 27 HD1 HIS 27 -10.925 0.069 -10.037 209 HD2 HIS 27 HD2 HIS 27 -8.322 -2.315 -7.863 210 HE1 HIS 27 HE1 HIS 27 -8.688 1.171 -10.225 211 HE2 HIS 27 HE2 HIS 27 -7.136 -0.585 -9.319 212 H LYS 28 HN LYS 28 -13.151 -2.748 -6.022 213 HA LYS 28 HA LYS 28 -14.604 -4.268 -5.331 214 HB2 LYS 28 HB2 LYS 28 -16.432 -3.135 -7.472 215 HB3 LYS 28 HB1 LYS 28 -16.944 -4.120 -6.107 216 HG2 LYS 28 HG2 LYS 28 -16.047 -2.354 -4.588 217 HG3 LYS 28 HG1 LYS 28 -15.746 -1.362 -6.008 218 HD2 LYS 28 HD2 LYS 28 -18.167 -1.482 -6.537 219 HD3 LYS 28 HD1 LYS 28 -18.416 -2.366 -5.030 220 HE2 LYS 28 HE2 LYS 28 -17.364 0.451 -5.329 221 HE3 LYS 28 HE1 LYS 28 -18.923 -0.035 -4.669 222 HZ1 LYS 28 HZ1 LYS 28 -17.368 0.525 -2.927 223 HZ2 LYS 28 HZ2 LYS 28 -16.248 -0.557 -3.495 224 HZ3 LYS 28 HZ3 LYS 28 -17.701 -1.134 -2.824 225 H LYS 29 HN LYS 29 -12.735 -4.889 -7.392 226 HA LYS 29 HA LYS 29 -13.872 -7.324 -8.421 227 HB2 LYS 29 HB2 LYS 29 -12.318 -5.284 -10.032 228 HB3 LYS 29 HB1 LYS 29 -12.649 -6.917 -10.584 229 HG2 LYS 29 HG2 LYS 29 -15.027 -6.468 -10.622 230 HG3 LYS 29 HG1 LYS 29 -14.757 -4.863 -9.945 231 HD2 LYS 29 HD2 LYS 29 -13.717 -5.828 -12.610 232 HD3 LYS 29 HD1 LYS 29 -15.164 -4.846 -12.369 233 HE2 LYS 29 HE2 LYS 29 -13.797 -3.069 -11.365 234 HE3 LYS 29 HE1 LYS 29 -12.355 -4.050 -11.590 235 HZ1 LYS 29 HZ1 LYS 29 -12.592 -2.373 -13.313 236 HZ2 LYS 29 HZ2 LYS 29 -14.081 -3.009 -13.750 237 HZ3 LYS 29 HZ3 LYS 29 -12.694 -3.921 -13.987 238 HA PRO 30 HA PRO 30 -9.989 -8.559 -6.734 239 HB2 PRO 30 HB2 PRO 30 -9.815 -10.987 -8.240 240 HB3 PRO 30 HB1 PRO 30 -10.435 -10.727 -6.630 241 HG2 PRO 30 HG2 PRO 30 -11.970 -11.446 -8.832 242 HG3 PRO 30 HG1 PRO 30 -12.576 -10.817 -7.294 243 HD2 PRO 30 HD2 PRO 30 -12.149 -9.421 -9.879 244 HD3 PRO 30 HD1 PRO 30 -13.383 -9.166 -8.627 245 H VAL 31 HN VAL 31 -7.806 -8.496 -7.112 246 HA VAL 31 HA VAL 31 -6.909 -8.200 -9.886 247 HB VAL 31 HB VAL 31 -6.164 -6.280 -7.642 248 HG11 VAL 31 HG11 VAL 31 -4.342 -6.589 -9.187 249 HG12 VAL 31 HG12 VAL 31 -5.029 -4.973 -9.358 250 HG13 VAL 31 HG13 VAL 31 -5.401 -6.221 -10.548 251 HG21 VAL 31 HG21 VAL 31 -7.363 -4.551 -8.890 252 HG22 VAL 31 HG22 VAL 31 -8.448 -5.853 -8.398 253 HG23 VAL 31 HG23 VAL 31 -7.886 -5.754 -10.070 254 HA PRO 32 HA PRO 32 -3.618 -10.910 -8.282 255 HB2 PRO 32 HB2 PRO 32 -2.253 -9.915 -10.722 256 HB3 PRO 32 HB1 PRO 32 -2.522 -11.581 -10.190 257 HG2 PRO 32 HG2 PRO 32 -3.954 -10.615 -12.180 258 HG3 PRO 32 HG1 PRO 32 -4.741 -11.580 -10.915 259 HD2 PRO 32 HD2 PRO 32 -4.682 -8.600 -11.248 260 HD3 PRO 32 HD1 PRO 32 -6.053 -9.677 -10.883 261 H PHE 33 HN PHE 33 -1.525 -10.744 -7.516 262 HA PHE 33 HA PHE 33 -1.020 -8.557 -5.965 263 HB2 PHE 33 HB2 PHE 33 -0.188 -10.808 -5.507 264 HB3 PHE 33 HB1 PHE 33 0.956 -10.658 -6.845 265 HD1 PHE 33 HD1 PHE 33 0.004 -9.151 -3.590 266 HD2 PHE 33 HD2 PHE 33 3.080 -9.785 -6.456 267 HE1 PHE 33 HE1 PHE 33 1.648 -8.197 -2.033 268 HE2 PHE 33 HE2 PHE 33 4.724 -8.830 -4.902 269 HZ PHE 33 HZ PHE 33 4.007 -8.035 -2.687 270 H GLN 34 HN GLN 34 0.580 -9.277 -9.053 271 HA GLN 34 HA GLN 34 2.328 -7.050 -8.737 272 HB2 GLN 34 HB2 GLN 34 1.739 -8.679 -11.196 273 HB3 GLN 34 HB1 GLN 34 2.976 -7.436 -11.110 274 HG2 GLN 34 HG2 GLN 34 2.864 -9.935 -9.437 275 HG3 GLN 34 HG1 GLN 34 3.914 -9.676 -10.827 276 HE21 GLN 34 HE21 GLN 34 4.521 -6.892 -10.051 277 HE22 GLN 34 HE22 GLN 34 5.583 -7.027 -8.704 278 H GLU 35 HN GLU 35 -0.896 -7.308 -10.046 279 HA GLU 35 HA GLU 35 -0.517 -4.962 -11.649 280 HB2 GLU 35 HB2 GLU 35 -3.012 -6.565 -11.063 281 HB3 GLU 35 HB1 GLU 35 -2.945 -5.198 -12.163 282 HG2 GLU 35 HG2 GLU 35 -1.239 -6.463 -13.493 283 HG3 GLU 35 HG1 GLU 35 -1.555 -7.850 -12.454 284 H LEU 36 HN LEU 36 -1.758 -5.881 -8.558 285 HA LEU 36 HA LEU 36 -2.949 -3.381 -8.032 286 HB2 LEU 36 HB2 LEU 36 -3.171 -4.119 -5.711 287 HB3 LEU 36 HB1 LEU 36 -3.623 -5.403 -6.791 288 HG LEU 36 HG LEU 36 -1.203 -6.291 -6.357 289 HD11 LEU 36 HD11 LEU 36 -1.571 -4.596 -3.909 290 HD12 LEU 36 HD12 LEU 36 -0.345 -4.394 -5.163 291 HD13 LEU 36 HD13 LEU 36 -0.338 -5.837 -4.149 292 HD21 LEU 36 HD21 LEU 36 -3.177 -7.497 -5.676 293 HD22 LEU 36 HD22 LEU 36 -3.340 -6.459 -4.251 294 HD23 LEU 36 HD23 LEU 36 -1.968 -7.545 -4.391 295 H LEU 37 HN LEU 37 0.342 -4.634 -7.618 296 HA LEU 37 HA LEU 37 1.327 -2.554 -5.999 297 HB2 LEU 37 HB2 LEU 37 2.677 -4.353 -7.981 298 HB3 LEU 37 HB1 LEU 37 3.546 -3.264 -6.914 299 HG LEU 37 HG LEU 37 1.824 -5.588 -6.051 300 HD11 LEU 37 HD11 LEU 37 3.824 -6.321 -7.195 301 HD12 LEU 37 HD12 LEU 37 3.979 -6.614 -5.460 302 HD13 LEU 37 HD13 LEU 37 4.802 -5.241 -6.206 303 HD21 LEU 37 HD21 LEU 37 2.855 -5.189 -3.849 304 HD22 LEU 37 HD22 LEU 37 1.871 -3.828 -4.374 305 HD23 LEU 37 HD23 LEU 37 3.629 -3.737 -4.486 306 H ASN 38 HN ASN 38 1.002 -2.978 -9.424 307 HA ASN 38 HA ASN 38 2.456 -0.687 -10.191 308 HB2 ASN 38 HB2 ASN 38 0.451 -2.417 -11.595 309 HB3 ASN 38 HB1 ASN 38 0.946 -0.901 -12.333 310 HD21 ASN 38 HD21 ASN 38 2.100 -4.034 -11.217 311 HD22 ASN 38 HD22 ASN 38 3.501 -4.061 -12.201 312 H GLU 39 HN GLU 39 -1.004 -1.169 -9.548 313 HA GLU 39 HA GLU 39 -1.599 1.550 -10.123 314 HB2 GLU 39 HB2 GLU 39 -3.230 -0.357 -8.457 315 HB3 GLU 39 HB1 GLU 39 -3.781 1.176 -9.117 316 HG2 GLU 39 HG2 GLU 39 -3.157 0.123 -11.392 317 HG3 GLU 39 HG1 GLU 39 -3.197 -1.385 -10.496 318 H ILE 40 HN ILE 40 -0.841 -0.211 -7.166 319 HA ILE 40 HA ILE 40 -1.332 1.825 -5.338 320 HB ILE 40 HB ILE 40 0.820 -0.325 -5.237 321 HG12 ILE 40 HG12 ILE 40 -1.810 -0.080 -3.753 322 HG13 ILE 40 HG11 ILE 40 -1.509 -1.135 -5.129 323 HG21 ILE 40 HG21 ILE 40 -0.002 1.559 -3.021 324 HG22 ILE 40 HG22 ILE 40 1.551 1.547 -3.857 325 HG23 ILE 40 HG23 ILE 40 1.086 0.181 -2.843 326 HD11 ILE 40 HD11 ILE 40 -1.453 -2.362 -3.033 327 HD12 ILE 40 HD12 ILE 40 -0.162 -1.316 -2.440 328 HD13 ILE 40 HD13 ILE 40 0.124 -2.378 -3.819 329 H ALA 41 HN ALA 41 1.675 1.092 -7.072 330 HA ALA 41 HA ALA 41 3.135 3.223 -5.994 331 HB1 ALA 41 HB1 ALA 41 4.131 1.306 -7.105 332 HB2 ALA 41 HB2 ALA 41 4.741 2.840 -7.718 333 HB3 ALA 41 HB3 ALA 41 3.567 1.914 -8.665 334 H SER 42 HN SER 42 0.974 3.163 -8.747 335 HA SER 42 HA SER 42 1.716 5.839 -9.450 336 HB2 SER 42 HB2 SER 42 0.891 4.240 -11.192 337 HB3 SER 42 HB1 SER 42 -0.681 4.234 -10.403 338 HG SER 42 HG SER 42 0.285 6.732 -10.990 339 H LEU 43 HN LEU 43 -1.103 4.534 -7.771 340 HA LEU 43 HA LEU 43 -2.211 7.113 -7.405 341 HB2 LEU 43 HB2 LEU 43 -2.744 4.458 -6.099 342 HB3 LEU 43 HB1 LEU 43 -3.462 5.910 -5.439 343 HG LEU 43 HG LEU 43 -4.648 6.301 -7.571 344 HD11 LEU 43 HD11 LEU 43 -3.497 3.665 -8.457 345 HD12 LEU 43 HD12 LEU 43 -3.117 5.250 -9.130 346 HD13 LEU 43 HD13 LEU 43 -4.743 4.587 -9.299 347 HD21 LEU 43 HD21 LEU 43 -6.234 4.445 -7.396 348 HD22 LEU 43 HD22 LEU 43 -5.765 5.069 -5.815 349 HD23 LEU 43 HD23 LEU 43 -5.076 3.558 -6.407 350 H LEU 44 HN LEU 44 -0.224 5.081 -5.375 351 HA LEU 44 HA LEU 44 0.097 6.996 -3.277 352 HB2 LEU 44 HB2 LEU 44 0.255 4.706 -2.701 353 HB3 LEU 44 HB1 LEU 44 1.294 4.352 -4.052 354 HG LEU 44 HG LEU 44 3.122 5.564 -2.893 355 HD11 LEU 44 HD11 LEU 44 2.893 5.948 -0.494 356 HD12 LEU 44 HD12 LEU 44 1.148 5.705 -0.651 357 HD13 LEU 44 HD13 LEU 44 1.951 7.029 -1.505 358 HD21 LEU 44 HD21 LEU 44 3.549 3.797 -1.260 359 HD22 LEU 44 HD22 LEU 44 2.985 3.177 -2.810 360 HD23 LEU 44 HD23 LEU 44 1.879 3.245 -1.435 361 H GLY 45 HN GLY 45 1.173 8.762 -3.697 362 HA2 GLY 45 HA2 GLY 45 2.970 9.223 -5.811 363 HA3 GLY 45 HA1 GLY 45 2.750 10.279 -4.432 364 H VAL 46 HN VAL 46 4.380 7.357 -5.473 365 HA VAL 46 HA VAL 46 6.823 8.112 -4.035 366 HB VAL 46 HB VAL 46 7.170 5.784 -3.313 367 HG11 VAL 46 HG11 VAL 46 4.616 6.944 -2.235 368 HG12 VAL 46 HG12 VAL 46 6.256 7.224 -1.647 369 HG13 VAL 46 HG13 VAL 46 5.524 5.629 -1.490 370 HG21 VAL 46 HG21 VAL 46 5.907 4.558 -4.934 371 HG22 VAL 46 HG22 VAL 46 4.411 5.301 -4.431 372 HG23 VAL 46 HG23 VAL 46 5.230 4.166 -3.348 373 H LYS 47 HN LYS 47 8.595 6.537 -4.841 374 HA LYS 47 HA LYS 47 8.058 5.913 -7.636 375 HB2 LYS 47 HB2 LYS 47 10.503 5.326 -7.778 376 HB3 LYS 47 HB1 LYS 47 10.182 7.003 -7.389 377 HG2 LYS 47 HG2 LYS 47 10.922 6.749 -5.194 378 HG3 LYS 47 HG1 LYS 47 10.774 5.000 -5.255 379 HD2 LYS 47 HD2 LYS 47 13.143 5.783 -5.298 380 HD3 LYS 47 HD1 LYS 47 12.698 4.813 -6.688 381 HE2 LYS 47 HE2 LYS 47 12.726 7.837 -6.779 382 HE3 LYS 47 HE1 LYS 47 14.159 6.873 -7.106 383 HZ1 LYS 47 HZ1 LYS 47 13.074 7.421 -9.177 384 HZ2 LYS 47 HZ2 LYS 47 11.609 6.849 -8.633 385 HZ3 LYS 47 HZ3 LYS 47 12.850 5.763 -8.905 386 H LYS 48 HN LYS 48 8.314 3.761 -8.432 387 HA LYS 48 HA LYS 48 7.126 1.933 -6.645 388 HB2 LYS 48 HB2 LYS 48 6.773 1.966 -9.123 389 HB3 LYS 48 HB1 LYS 48 8.369 1.257 -9.312 390 HG2 LYS 48 HG2 LYS 48 7.666 -0.702 -8.037 391 HG3 LYS 48 HG1 LYS 48 6.042 -0.032 -7.867 392 HD2 LYS 48 HD2 LYS 48 7.406 -0.865 -10.459 393 HD3 LYS 48 HD1 LYS 48 6.079 -1.685 -9.631 394 HE2 LYS 48 HE2 LYS 48 4.538 -0.048 -10.152 395 HE3 LYS 48 HE1 LYS 48 5.764 1.156 -10.574 396 HZ1 LYS 48 HZ1 LYS 48 5.023 -1.281 -12.122 397 HZ2 LYS 48 HZ2 LYS 48 6.291 -0.260 -12.511 398 HZ3 LYS 48 HZ3 LYS 48 4.707 0.328 -12.508 399 H GLU 49 HN GLU 49 10.427 2.548 -7.447 400 HA GLU 49 HA GLU 49 11.501 0.083 -6.590 401 HB2 GLU 49 HB2 GLU 49 12.949 2.717 -6.448 402 HB3 GLU 49 HB1 GLU 49 13.644 1.118 -6.641 403 HG2 GLU 49 HG2 GLU 49 13.806 1.824 -8.797 404 HG3 GLU 49 HG1 GLU 49 12.177 1.171 -8.851 405 H GLU 50 HN GLU 50 10.901 3.130 -4.813 406 HA GLU 50 HA GLU 50 12.104 2.207 -2.372 407 HB2 GLU 50 HB2 GLU 50 11.117 4.147 -1.280 408 HB3 GLU 50 HB1 GLU 50 11.648 4.671 -2.870 409 HG2 GLU 50 HG2 GLU 50 9.346 4.495 -3.692 410 HG3 GLU 50 HG1 GLU 50 8.829 3.957 -2.104 411 H LEU 51 HN LEU 51 9.027 2.097 -3.864 412 HA LEU 51 HA LEU 51 7.642 0.957 -1.701 413 HB2 LEU 51 HB2 LEU 51 6.556 2.213 -3.529 414 HB3 LEU 51 HB1 LEU 51 7.077 0.922 -4.602 415 HG LEU 51 HG LEU 51 5.636 -0.667 -3.381 416 HD11 LEU 51 HD11 LEU 51 3.929 0.168 -1.853 417 HD12 LEU 51 HD12 LEU 51 4.676 1.765 -1.904 418 HD13 LEU 51 HD13 LEU 51 5.562 0.396 -1.229 419 HD21 LEU 51 HD21 LEU 51 3.495 0.157 -4.235 420 HD22 LEU 51 HD22 LEU 51 4.807 0.361 -5.390 421 HD23 LEU 51 HD23 LEU 51 4.215 1.751 -4.476 422 H GLY 52 HN GLY 52 9.940 -0.185 -3.926 423 HA2 GLY 52 HA2 GLY 52 9.065 -2.897 -4.210 424 HA3 GLY 52 HA1 GLY 52 10.672 -2.266 -4.581 425 H ASP 53 HN ASP 53 11.474 -1.230 -2.320 426 HA ASP 53 HA ASP 53 12.258 -3.266 -0.561 427 HB2 ASP 53 HB2 ASP 53 13.322 -1.073 -0.535 428 HB3 ASP 53 HB1 ASP 53 11.811 -0.299 -0.087 429 H ARG 54 HN ARG 54 9.638 -0.975 -0.406 430 HA ARG 54 HA ARG 54 8.363 -2.069 1.841 431 HB2 ARG 54 HB2 ARG 54 7.714 -0.001 -0.105 432 HB3 ARG 54 HB1 ARG 54 6.305 -0.797 0.589 433 HG2 ARG 54 HG2 ARG 54 6.858 1.191 1.832 434 HG3 ARG 54 HG1 ARG 54 7.135 -0.235 2.823 435 HD2 ARG 54 HD2 ARG 54 9.573 -0.044 2.055 436 HD3 ARG 54 HD1 ARG 54 9.126 1.547 1.485 437 HE ARG 54 HE ARG 54 8.345 2.109 3.721 438 HH11 ARG 54 HH11 ARG 54 10.997 -0.282 3.468 439 HH12 ARG 54 HH12 ARG 54 11.277 -0.312 5.128 440 HH21 ARG 54 HH21 ARG 54 8.836 2.076 5.993 441 HH22 ARG 54 HH22 ARG 54 10.051 1.029 6.611 442 H ILE 55 HN ILE 55 8.396 -3.246 -1.384 443 HA ILE 55 HA ILE 55 5.893 -4.607 -1.299 444 HB ILE 55 HB ILE 55 8.357 -5.102 -3.021 445 HG12 ILE 55 HG12 ILE 55 5.618 -4.070 -3.772 446 HG13 ILE 55 HG11 ILE 55 7.041 -3.064 -3.530 447 HG21 ILE 55 HG21 ILE 55 7.031 -6.661 -4.375 448 HG22 ILE 55 HG22 ILE 55 5.705 -6.534 -3.222 449 HG23 ILE 55 HG23 ILE 55 7.242 -7.244 -2.724 450 HD11 ILE 55 HD11 ILE 55 8.132 -4.171 -5.425 451 HD12 ILE 55 HD12 ILE 55 6.593 -3.452 -5.903 452 HD13 ILE 55 HD13 ILE 55 6.721 -5.193 -5.634 453 H ALA 56 HN ALA 56 9.188 -5.360 -0.470 454 HA ALA 56 HA ALA 56 8.661 -8.061 0.234 455 HB1 ALA 56 HB1 ALA 56 10.934 -7.162 -0.184 456 HB2 ALA 56 HB2 ALA 56 10.807 -8.045 1.327 457 HB3 ALA 56 HB3 ALA 56 10.836 -6.276 1.341 458 H GLN 57 HN GLN 57 8.869 -5.115 2.192 459 HA GLN 57 HA GLN 57 8.054 -6.136 4.657 460 HB2 GLN 57 HB2 GLN 57 8.956 -3.791 3.936 461 HB3 GLN 57 HB1 GLN 57 7.286 -3.403 3.606 462 HG2 GLN 57 HG2 GLN 57 8.266 -4.275 6.319 463 HG3 GLN 57 HG1 GLN 57 8.257 -2.599 5.811 464 HE21 GLN 57 HE21 GLN 57 6.396 -5.250 6.960 465 HE22 GLN 57 HE22 GLN 57 4.910 -4.387 7.136 466 H PHE 58 HN PHE 58 6.186 -4.979 1.909 467 HA PHE 58 HA PHE 58 3.615 -5.213 3.011 468 HB2 PHE 58 HB2 PHE 58 4.078 -3.799 1.084 469 HB3 PHE 58 HB1 PHE 58 4.524 -5.198 0.134 470 HD1 PHE 58 HD2 PHE 58 1.568 -4.223 2.222 471 HD2 PHE 58 HD1 PHE 58 3.027 -5.647 -1.508 472 HE1 PHE 58 HE2 PHE 58 -0.735 -4.318 1.362 473 HE2 PHE 58 HE1 PHE 58 0.744 -5.742 -2.380 474 HZ PHE 58 HZ PHE 58 -1.152 -5.077 -0.945 475 H TYR 59 HN TYR 59 5.671 -7.542 1.317 476 HA TYR 59 HA TYR 59 3.744 -9.541 0.970 477 HB2 TYR 59 HB2 TYR 59 6.702 -9.615 1.318 478 HB3 TYR 59 HB1 TYR 59 5.827 -11.109 1.587 479 HD1 TYR 59 HD1 TYR 59 4.278 -11.916 -0.338 480 HD2 TYR 59 HD2 TYR 59 7.341 -9.003 -0.841 481 HE1 TYR 59 HE1 TYR 59 4.373 -12.430 -2.731 482 HE2 TYR 59 HE2 TYR 59 7.425 -9.508 -3.239 483 HH TYR 59 HH TYR 59 5.073 -11.483 -4.790 484 H THR 60 HN THR 60 5.850 -8.894 3.737 485 HA THR 60 HA THR 60 4.835 -10.890 5.406 486 HB THR 60 HB THR 60 5.880 -8.171 6.199 487 HG1 THR 60 HG1 THR 60 7.766 -10.086 6.187 488 HG21 THR 60 HG21 THR 60 6.019 -10.872 7.580 489 HG22 THR 60 HG22 THR 60 4.957 -9.542 8.037 490 HG23 THR 60 HG23 THR 60 6.707 -9.360 8.184 491 H ASP 61 HN ASP 61 3.952 -7.464 5.135 492 HA ASP 61 HA ASP 61 1.977 -7.357 7.125 493 HB2 ASP 61 HB2 ASP 61 3.051 -5.366 6.265 494 HB3 ASP 61 HB1 ASP 61 2.409 -5.670 4.660 495 H LEU 62 HN LEU 62 1.688 -7.948 3.684 496 HA LEU 62 HA LEU 62 -1.149 -8.020 3.642 497 HB2 LEU 62 HB2 LEU 62 0.345 -7.415 1.749 498 HB3 LEU 62 HB1 LEU 62 0.829 -9.091 1.649 499 HG LEU 62 HG LEU 62 -1.518 -9.681 1.123 500 HD11 LEU 62 HD11 LEU 62 -3.010 -7.863 0.433 501 HD12 LEU 62 HD12 LEU 62 -1.825 -6.688 0.997 502 HD13 LEU 62 HD13 LEU 62 -2.615 -7.769 2.145 503 HD21 LEU 62 HD21 LEU 62 -0.208 -7.665 -0.688 504 HD22 LEU 62 HD22 LEU 62 -1.445 -8.833 -1.157 505 HD23 LEU 62 HD23 LEU 62 0.141 -9.394 -0.628 506 H ASN 63 HN ASN 63 1.409 -10.484 3.792 507 HA ASN 63 HA ASN 63 -0.267 -12.665 3.156 508 HB2 ASN 63 HB2 ASN 63 2.206 -12.651 2.854 509 HB3 ASN 63 HB1 ASN 63 2.385 -12.773 4.597 510 HD21 ASN 63 HD21 ASN 63 0.019 -14.497 2.568 511 HD22 ASN 63 HD22 ASN 63 0.628 -16.056 2.878 512 H ILE 64 HN ILE 64 0.214 -11.033 6.158 513 HA ILE 64 HA ILE 64 -0.655 -13.292 7.711 514 HB ILE 64 HB ILE 64 -0.851 -11.719 9.643 515 HG12 ILE 64 HG12 ILE 64 0.260 -9.653 7.733 516 HG13 ILE 64 HG11 ILE 64 -1.412 -9.677 8.297 517 HG21 ILE 64 HG21 ILE 64 1.560 -11.287 9.867 518 HG22 ILE 64 HG22 ILE 64 1.767 -11.640 8.151 519 HG23 ILE 64 HG23 ILE 64 1.220 -12.905 9.252 520 HD11 ILE 64 HD11 ILE 64 1.053 -9.300 9.988 521 HD12 ILE 64 HD12 ILE 64 -0.606 -9.323 10.586 522 HD13 ILE 64 HD13 ILE 64 -0.078 -8.039 9.499 523 H ASP 65 HN ASP 65 -2.144 -11.081 5.780 524 HA ASP 65 HA ASP 65 -4.177 -10.185 5.577 525 HB2 ASP 65 HB2 ASP 65 -5.811 -11.812 4.733 526 HB3 ASP 65 HB1 ASP 65 -4.201 -12.056 4.092 527 H GLY 66 HN GLY 66 -4.455 -9.110 7.389 528 HA2 GLY 66 HA2 GLY 66 -6.455 -10.202 9.221 529 HA3 GLY 66 HA1 GLY 66 -5.545 -8.679 9.440 530 H ARG 67 HN ARG 67 -5.879 -7.263 7.411 531 HA ARG 67 HA ARG 67 -8.754 -6.709 7.266 532 HB2 ARG 67 HB2 ARG 67 -6.437 -5.111 6.162 533 HB3 ARG 67 HB1 ARG 67 -8.088 -4.559 6.378 534 HG2 ARG 67 HG2 ARG 67 -7.866 -4.623 8.757 535 HG3 ARG 67 HG1 ARG 67 -6.264 -5.349 8.642 536 HD2 ARG 67 HD2 ARG 67 -5.552 -3.312 7.366 537 HD3 ARG 67 HD1 ARG 67 -7.113 -2.598 7.762 538 HE ARG 67 HE ARG 67 -5.484 -3.560 9.958 539 HH11 ARG 67 HH11 ARG 67 -6.847 -0.804 8.221 540 HH12 ARG 67 HH12 ARG 67 -6.148 0.393 9.186 541 HH21 ARG 67 HH21 ARG 67 -4.543 -1.898 11.414 542 HH22 ARG 67 HH22 ARG 67 -4.853 -0.261 11.085 543 H PHE 68 HN PHE 68 -6.182 -8.029 5.454 544 HA PHE 68 HA PHE 68 -7.602 -7.667 2.942 545 HB2 PHE 68 HB2 PHE 68 -4.876 -7.551 3.621 546 HB3 PHE 68 HB1 PHE 68 -5.092 -8.965 2.585 547 HD1 PHE 68 HD2 PHE 68 -5.729 -5.349 2.838 548 HD2 PHE 68 HD1 PHE 68 -5.458 -8.737 0.295 549 HE1 PHE 68 HE2 PHE 68 -5.861 -3.888 0.884 550 HE2 PHE 68 HE1 PHE 68 -5.593 -7.274 -1.674 551 HZ PHE 68 HZ PHE 68 -5.800 -4.846 -1.372 552 H LEU 69 HN LEU 69 -6.932 -9.685 1.407 553 HA LEU 69 HA LEU 69 -7.373 -12.218 2.690 554 HB2 LEU 69 HB2 LEU 69 -9.589 -11.352 2.704 555 HB3 LEU 69 HB1 LEU 69 -9.456 -10.785 1.061 556 HG LEU 69 HG LEU 69 -9.299 -13.195 0.361 557 HD11 LEU 69 HD11 LEU 69 -10.144 -14.875 1.907 558 HD12 LEU 69 HD12 LEU 69 -10.183 -13.675 3.200 559 HD13 LEU 69 HD13 LEU 69 -8.642 -14.161 2.492 560 HD21 LEU 69 HD21 LEU 69 -11.812 -12.352 1.777 561 HD22 LEU 69 HD22 LEU 69 -11.672 -13.499 0.436 562 HD23 LEU 69 HD23 LEU 69 -11.305 -11.799 0.183 563 H ALA 70 HN ALA 70 -6.537 -13.788 1.373 564 HA ALA 70 HA ALA 70 -5.755 -13.062 -1.339 565 HB1 ALA 70 HB1 ALA 70 -5.037 -15.470 0.354 566 HB2 ALA 70 HB2 ALA 70 -3.999 -14.074 0.051 567 HB3 ALA 70 HB3 ALA 70 -4.443 -15.154 -1.272 568 H LEU 71 HN LEU 71 -6.810 -13.881 -3.022 569 HA LEU 71 HA LEU 71 -9.019 -15.635 -2.499 570 HB2 LEU 71 HB2 LEU 71 -8.078 -14.453 -5.128 571 HB3 LEU 71 HB1 LEU 71 -9.622 -15.245 -4.838 572 HG LEU 71 HG LEU 71 -8.647 -12.608 -3.776 573 HD11 LEU 71 HD11 LEU 71 -9.289 -12.507 -6.043 574 HD12 LEU 71 HD12 LEU 71 -10.547 -11.770 -5.026 575 HD13 LEU 71 HD13 LEU 71 -10.785 -13.379 -5.702 576 HD21 LEU 71 HD21 LEU 71 -11.257 -14.000 -3.257 577 HD22 LEU 71 HD22 LEU 71 -10.877 -12.324 -2.893 578 HD23 LEU 71 HD23 LEU 71 -10.010 -13.621 -2.048 579 H SER 72 HN SER 72 -8.693 -16.914 -5.259 580 HA SER 72 HA SER 72 -7.934 -19.327 -4.131 581 HB2 SER 72 HB2 SER 72 -8.243 -18.717 -7.038 582 HB3 SER 72 HB1 SER 72 -8.496 -20.261 -6.220 583 HG SER 72 HG SER 72 -10.085 -19.060 -4.918 584 H ASP 73 HN ASP 73 -6.059 -17.761 -6.893 585 HA ASP 73 HA ASP 73 -3.846 -19.460 -5.880 586 HB2 ASP 73 HB2 ASP 73 -4.698 -20.500 -7.872 587 HB3 ASP 73 HB1 ASP 73 -4.568 -19.001 -8.775 588 H GLN 74 HN GLN 74 -4.577 -16.292 -6.872 589 HA GLN 74 HA GLN 74 -2.063 -15.314 -5.935 590 HB2 GLN 74 HB2 GLN 74 -0.900 -14.547 -7.869 591 HB3 GLN 74 HB1 GLN 74 -1.292 -16.224 -8.173 592 HG2 GLN 74 HG2 GLN 74 -2.892 -13.921 -9.287 593 HG3 GLN 74 HG1 GLN 74 -1.522 -14.632 -10.123 594 HE21 GLN 74 HE21 GLN 74 -4.872 -14.972 -9.275 595 HE22 GLN 74 HE22 GLN 74 -5.130 -16.394 -10.210 596 H THR 75 HN THR 75 -5.169 -14.835 -6.890 597 HA THR 75 HA THR 75 -4.913 -12.041 -7.420 598 HB THR 75 HB THR 75 -7.449 -13.612 -7.030 599 HG1 THR 75 HG1 THR 75 -6.665 -13.453 -9.601 600 HG21 THR 75 HG21 THR 75 -6.614 -11.323 -8.807 601 HG22 THR 75 HG22 THR 75 -7.630 -11.198 -7.366 602 HG23 THR 75 HG23 THR 75 -8.204 -12.073 -8.794 603 H TRP 76 HN TRP 76 -5.241 -10.519 -5.861 604 HA TRP 76 HA TRP 76 -5.948 -11.559 -3.252 605 HB2 TRP 76 HB2 TRP 76 -4.471 -9.052 -4.072 606 HB3 TRP 76 HB1 TRP 76 -5.053 -9.323 -2.431 607 HD1 TRP 76 HD1 TRP 76 -2.467 -10.693 -4.940 608 HE1 TRP 76 HE1 TRP 76 -0.687 -12.033 -3.622 609 HE3 TRP 76 HE3 TRP 76 -4.606 -10.583 -0.298 610 HZ2 TRP 76 HZ2 TRP 76 -0.251 -12.911 -0.991 611 HZ3 TRP 76 HZ3 TRP 76 -3.441 -11.693 1.566 612 HH2 TRP 76 HH2 TRP 76 -1.310 -12.833 1.222 613 H GLY 77 HN GLY 77 -7.343 -10.200 -1.930 614 HA2 GLY 77 HA2 GLY 77 -9.066 -8.431 -3.375 615 HA3 GLY 77 HA1 GLY 77 -9.797 -9.962 -2.893 616 H LEU 78 HN LEU 78 -11.186 -8.773 -1.596 617 HA LEU 78 HA LEU 78 -9.891 -7.711 0.810 618 HB2 LEU 78 HB2 LEU 78 -12.428 -6.707 -0.435 619 HB3 LEU 78 HB1 LEU 78 -11.767 -6.174 1.094 620 HG LEU 78 HG LEU 78 -10.589 -5.750 -1.632 621 HD11 LEU 78 HD11 LEU 78 -11.722 -3.857 0.409 622 HD12 LEU 78 HD12 LEU 78 -12.483 -4.344 -1.106 623 HD13 LEU 78 HD13 LEU 78 -10.992 -3.402 -1.129 624 HD21 LEU 78 HD21 LEU 78 -8.793 -6.137 -0.051 625 HD22 LEU 78 HD22 LEU 78 -9.494 -4.986 1.079 626 HD23 LEU 78 HD23 LEU 78 -8.866 -4.433 -0.477 627 H ARG 79 HN ARG 79 -10.576 -8.348 2.658 628 HA ARG 79 HA ARG 79 -12.292 -10.617 2.814 629 HB2 ARG 79 HB2 ARG 79 -10.188 -9.816 4.197 630 HB3 ARG 79 HB1 ARG 79 -11.398 -8.975 5.142 631 HG2 ARG 79 HG2 ARG 79 -12.450 -11.023 5.753 632 HG3 ARG 79 HG1 ARG 79 -11.421 -11.939 4.642 633 HD2 ARG 79 HD2 ARG 79 -9.445 -11.140 5.881 634 HD3 ARG 79 HD1 ARG 79 -10.508 -10.375 7.045 635 HE ARG 79 HE ARG 79 -11.140 -13.106 6.812 636 HH11 ARG 79 HH11 ARG 79 -8.789 -10.884 8.260 637 HH12 ARG 79 HH12 ARG 79 -8.100 -12.040 9.293 638 HH21 ARG 79 HH21 ARG 79 -10.202 -14.710 8.248 639 HH22 ARG 79 HH22 ARG 79 -8.931 -14.258 9.311 640 H SER 80 HN SER 80 -12.605 -7.226 2.886 641 HA SER 80 HA SER 80 -14.919 -6.752 4.352 642 HB2 SER 80 HB2 SER 80 -14.063 -5.295 1.875 643 HB3 SER 80 HB1 SER 80 -14.763 -4.640 3.357 644 HG SER 80 HG SER 80 -12.847 -4.597 4.258 645 H TRP 81 HN TRP 81 -14.329 -8.058 1.153 646 HA TRP 81 HA TRP 81 -16.948 -7.536 0.075 647 HB2 TRP 81 HB2 TRP 81 -14.769 -9.424 -0.830 648 HB3 TRP 81 HB1 TRP 81 -16.245 -9.096 -1.712 649 HD1 TRP 81 HD1 TRP 81 -15.839 -5.794 -1.051 650 HE1 TRP 81 HE1 TRP 81 -14.241 -4.560 -2.622 651 HE3 TRP 81 HE3 TRP 81 -13.222 -9.860 -2.962 652 HZ2 TRP 81 HZ2 TRP 81 -12.173 -5.207 -4.440 653 HZ3 TRP 81 HZ3 TRP 81 -11.502 -9.411 -4.595 654 HH2 TRP 81 HH2 TRP 81 -10.979 -7.154 -5.325 655 H TYR 82 HN TYR 82 -15.134 -10.361 1.152 656 HA TYR 82 HA TYR 82 -17.448 -11.635 2.072 657 HB2 TYR 82 HB2 TYR 82 -17.077 -13.672 0.587 658 HB3 TYR 82 HB1 TYR 82 -17.870 -12.292 -0.139 659 HD1 TYR 82 HD2 TYR 82 -14.339 -11.652 -0.035 660 HD2 TYR 82 HD1 TYR 82 -17.292 -13.869 -2.162 661 HE1 TYR 82 HE2 TYR 82 -12.847 -11.805 -1.981 662 HE2 TYR 82 HE1 TYR 82 -15.812 -14.022 -4.078 663 HH TYR 82 HH TYR 82 -13.932 -12.821 -5.035 Start of MODEL 20 1 H1 GLY 2 HT1 GLY 2 -12.059 8.837 -5.243 2 H2 GLY 2 HT2 GLY 2 -13.398 8.667 -4.222 3 H3 GLY 2 HT3 GLY 2 -12.756 7.311 -5.041 4 HA2 GLY 2 HA1 GLY 2 -11.406 8.821 -2.917 5 HA3 GLY 2 HA2 GLY 2 -12.141 7.226 -2.771 6 H ILE 3 HN ILE 3 -9.667 7.359 -2.073 7 HA ILE 3 HA ILE 3 -7.573 6.723 -2.219 8 HB ILE 3 HB ILE 3 -8.585 4.488 -2.471 9 HG12 ILE 3 HG12 ILE 3 -6.627 3.253 -3.222 10 HG13 ILE 3 HG11 ILE 3 -5.998 4.649 -4.068 11 HG21 ILE 3 HG21 ILE 3 -8.152 4.778 -5.432 12 HG22 ILE 3 HG22 ILE 3 -9.708 4.757 -4.609 13 HG23 ILE 3 HG23 ILE 3 -8.688 3.318 -4.600 14 HD11 ILE 3 HD11 ILE 3 -5.667 5.798 -1.954 15 HD12 ILE 3 HD12 ILE 3 -4.857 4.232 -1.947 16 HD13 ILE 3 HD13 ILE 3 -6.377 4.447 -1.082 17 H LYS 4 HN LYS 4 -8.637 7.284 -5.439 18 HA LYS 4 HA LYS 4 -6.017 7.691 -6.552 19 HB2 LYS 4 HB2 LYS 4 -8.754 8.456 -7.574 20 HB3 LYS 4 HB1 LYS 4 -7.281 8.414 -8.519 21 HG2 LYS 4 HG2 LYS 4 -7.186 6.013 -8.367 22 HG3 LYS 4 HG1 LYS 4 -8.533 5.994 -7.224 23 HD2 LYS 4 HD2 LYS 4 -10.016 6.906 -8.914 24 HD3 LYS 4 HD1 LYS 4 -8.684 7.019 -10.060 25 HE2 LYS 4 HE2 LYS 4 -10.102 5.083 -10.520 26 HE3 LYS 4 HE1 LYS 4 -8.475 4.596 -10.063 27 HZ1 LYS 4 HZ1 LYS 4 -10.772 4.624 -8.154 28 HZ2 LYS 4 HZ2 LYS 4 -9.268 3.884 -7.931 29 HZ3 LYS 4 HZ3 LYS 4 -10.330 3.293 -9.058 30 H GLN 5 HN GLN 5 -7.339 9.408 -4.245 31 HA GLN 5 HA GLN 5 -6.785 12.017 -5.460 32 HB2 GLN 5 HB2 GLN 5 -8.675 12.974 -4.276 33 HB3 GLN 5 HB1 GLN 5 -9.148 11.686 -5.380 34 HG2 GLN 5 HG2 GLN 5 -9.207 10.157 -3.357 35 HG3 GLN 5 HG1 GLN 5 -8.992 11.587 -2.361 36 HE21 GLN 5 HE21 GLN 5 -10.982 11.236 -5.272 37 HE22 GLN 5 HE22 GLN 5 -12.475 11.553 -4.481 38 H TYR 6 HN TYR 6 -5.549 9.998 -3.321 39 HA TYR 6 HA TYR 6 -5.208 11.797 -1.046 40 HB2 TYR 6 HB2 TYR 6 -3.937 9.134 -1.701 41 HB3 TYR 6 HB1 TYR 6 -3.531 10.108 -0.324 42 HD1 TYR 6 HD2 TYR 6 -6.616 8.573 -1.841 43 HD2 TYR 6 HD1 TYR 6 -4.453 9.611 1.663 44 HE1 TYR 6 HE2 TYR 6 -8.281 7.418 -0.446 45 HE2 TYR 6 HE1 TYR 6 -6.120 8.468 3.042 46 HH TYR 6 HH TYR 6 -8.482 6.396 1.748 47 H SER 7 HN SER 7 -3.111 12.360 -0.338 48 HA SER 7 HA SER 7 -1.414 13.287 -2.531 49 HB2 SER 7 HB2 SER 7 -1.099 13.767 0.445 50 HB3 SER 7 HB1 SER 7 -0.446 14.736 -0.875 51 HG SER 7 HG SER 7 -3.178 14.400 -0.203 52 H GLN 8 HN GLN 8 0.986 12.776 -2.394 53 HA GLN 8 HA GLN 8 1.270 10.003 -1.943 54 HB2 GLN 8 HB2 GLN 8 3.646 10.247 -2.545 55 HB3 GLN 8 HB1 GLN 8 2.596 11.041 -3.704 56 HG2 GLN 8 HG2 GLN 8 3.028 13.131 -2.651 57 HG3 GLN 8 HG1 GLN 8 4.141 12.364 -1.511 58 HE21 GLN 8 HE21 GLN 8 3.697 13.496 -4.742 59 HE22 GLN 8 HE22 GLN 8 5.317 13.239 -5.266 60 H GLU 9 HN GLU 9 2.438 12.777 -0.084 61 HA GLU 9 HA GLU 9 3.932 11.281 1.758 62 HB2 GLU 9 HB2 GLU 9 2.618 13.967 2.229 63 HB3 GLU 9 HB1 GLU 9 4.024 13.321 3.061 64 HG2 GLU 9 HG2 GLU 9 5.104 14.710 1.588 65 HG3 GLU 9 HG1 GLU 9 4.989 13.277 0.595 66 H GLU 10 HN GLU 10 0.649 12.009 1.412 67 HA GLU 10 HA GLU 10 -0.334 11.500 4.030 68 HB2 GLU 10 HB2 GLU 10 -1.366 12.828 2.145 69 HB3 GLU 10 HB1 GLU 10 -1.631 11.317 1.325 70 HG2 GLU 10 HG2 GLU 10 -3.291 10.686 2.868 71 HG3 GLU 10 HG1 GLU 10 -2.801 11.933 4.016 72 H LEU 11 HN LEU 11 -0.081 9.681 1.051 73 HA LEU 11 HA LEU 11 -1.019 7.191 2.034 74 HB2 LEU 11 HB2 LEU 11 0.621 8.011 -0.323 75 HB3 LEU 11 HB1 LEU 11 0.023 6.369 -0.099 76 HG LEU 11 HG LEU 11 -1.793 8.763 -0.235 77 HD11 LEU 11 HD11 LEU 11 -0.469 8.741 -2.265 78 HD12 LEU 11 HD12 LEU 11 -2.116 8.220 -2.614 79 HD13 LEU 11 HD13 LEU 11 -0.815 7.029 -2.508 80 HD21 LEU 11 HD21 LEU 11 -2.742 6.718 0.692 81 HD22 LEU 11 HD22 LEU 11 -2.196 5.817 -0.718 82 HD23 LEU 11 HD23 LEU 11 -3.437 7.058 -0.892 83 H LYS 12 HN LYS 12 2.092 8.745 1.929 84 HA LYS 12 HA LYS 12 3.823 6.575 2.231 85 HB2 LYS 12 HB2 LYS 12 4.086 9.451 3.066 86 HB3 LYS 12 HB1 LYS 12 5.391 8.312 3.314 87 HG2 LYS 12 HG2 LYS 12 4.174 8.753 0.596 88 HG3 LYS 12 HG1 LYS 12 5.439 9.802 1.221 89 HD2 LYS 12 HD2 LYS 12 5.774 6.809 1.073 90 HD3 LYS 12 HD1 LYS 12 6.176 7.875 -0.278 91 HE2 LYS 12 HE2 LYS 12 7.712 9.110 1.132 92 HE3 LYS 12 HE1 LYS 12 7.318 8.093 2.509 93 HZ1 LYS 12 HZ1 LYS 12 9.375 7.476 1.495 94 HZ2 LYS 12 HZ2 LYS 12 8.679 7.165 -0.002 95 HZ3 LYS 12 HZ3 LYS 12 8.305 6.199 1.329 96 H GLU 13 HN GLU 13 2.057 8.366 4.749 97 HA GLU 13 HA GLU 13 3.438 6.847 6.776 98 HB2 GLU 13 HB2 GLU 13 2.071 8.023 8.434 99 HB3 GLU 13 HB1 GLU 13 2.865 9.140 7.340 100 HG2 GLU 13 HG2 GLU 13 0.883 9.783 6.364 101 HG3 GLU 13 HG1 GLU 13 0.062 8.285 6.808 102 H MET 14 HN MET 14 1.076 6.018 4.736 103 HA MET 14 HA MET 14 -0.543 4.510 6.640 104 HB2 MET 14 HB2 MET 14 -0.703 4.672 3.622 105 HB3 MET 14 HB1 MET 14 -1.845 3.852 4.671 106 HG2 MET 14 HG2 MET 14 -2.487 5.964 5.646 107 HG3 MET 14 HG1 MET 14 -1.302 6.808 4.651 108 HE1 MET 14 HE1 MET 14 -5.088 4.718 2.986 109 HE2 MET 14 HE2 MET 14 -4.682 4.801 4.700 110 HE3 MET 14 HE3 MET 14 -3.715 3.811 3.609 111 H ALA 15 HN ALA 15 -0.728 2.210 6.436 112 HA ALA 15 HA ALA 15 1.693 0.928 5.552 113 HB1 ALA 15 HB1 ALA 15 0.531 0.032 7.518 114 HB2 ALA 15 HB2 ALA 15 0.472 -1.161 6.219 115 HB3 ALA 15 HB3 ALA 15 -0.945 -0.174 6.578 116 H LEU 16 HN LEU 16 1.733 -0.416 3.671 117 HA LEU 16 HA LEU 16 0.014 0.844 1.816 118 HB2 LEU 16 HB2 LEU 16 1.225 -0.133 -0.076 119 HB3 LEU 16 HB1 LEU 16 2.226 0.790 1.011 120 HG LEU 16 HG LEU 16 2.179 -2.210 0.710 121 HD11 LEU 16 HD11 LEU 16 3.132 -1.138 -1.196 122 HD12 LEU 16 HD12 LEU 16 4.471 -1.786 -0.239 123 HD13 LEU 16 HD13 LEU 16 4.088 -0.076 -0.183 124 HD21 LEU 16 HD21 LEU 16 2.796 -1.633 3.011 125 HD22 LEU 16 HD22 LEU 16 3.963 -0.452 2.422 126 HD23 LEU 16 HD23 LEU 16 4.222 -2.169 2.124 127 H VAL 17 HN VAL 17 -0.213 -2.052 3.426 128 HA VAL 17 HA VAL 17 -2.049 -3.272 1.674 129 HB VAL 17 HB VAL 17 -1.027 -4.421 3.654 130 HG11 VAL 17 HG11 VAL 17 -2.926 -2.755 5.286 131 HG12 VAL 17 HG12 VAL 17 -1.165 -2.676 5.312 132 HG13 VAL 17 HG13 VAL 17 -1.989 -4.122 5.891 133 HG21 VAL 17 HG21 VAL 17 -3.017 -5.680 4.327 134 HG22 VAL 17 HG22 VAL 17 -2.985 -5.376 2.587 135 HG23 VAL 17 HG23 VAL 17 -4.035 -4.422 3.629 136 H GLU 18 HN GLU 18 -2.341 -0.610 3.906 137 HA GLU 18 HA GLU 18 -5.203 -0.523 3.964 138 HB2 GLU 18 HB2 GLU 18 -3.218 1.682 4.545 139 HB3 GLU 18 HB1 GLU 18 -4.907 1.647 5.035 140 HG2 GLU 18 HG2 GLU 18 -4.497 -0.225 6.463 141 HG3 GLU 18 HG1 GLU 18 -2.824 -0.320 5.924 142 H ILE 19 HN ILE 19 -2.664 0.957 2.121 143 HA ILE 19 HA ILE 19 -4.230 2.768 0.607 144 HB ILE 19 HB ILE 19 -1.660 1.369 -0.238 145 HG12 ILE 19 HG12 ILE 19 -2.017 4.044 1.143 146 HG13 ILE 19 HG11 ILE 19 -1.444 2.578 1.925 147 HG21 ILE 19 HG21 ILE 19 -2.908 3.942 -1.208 148 HG22 ILE 19 HG22 ILE 19 -2.845 2.425 -2.096 149 HG23 ILE 19 HG23 ILE 19 -1.352 3.294 -1.732 150 HD11 ILE 19 HD11 ILE 19 0.395 4.073 1.383 151 HD12 ILE 19 HD12 ILE 19 -0.067 4.044 -0.319 152 HD13 ILE 19 HD13 ILE 19 0.520 2.577 0.459 153 H ALA 20 HN ALA 20 -3.050 -0.494 -0.054 154 HA ALA 20 HA ALA 20 -4.365 -0.906 -2.478 155 HB1 ALA 20 HB1 ALA 20 -3.549 -2.960 -0.421 156 HB2 ALA 20 HB2 ALA 20 -2.516 -2.305 -1.692 157 HB3 ALA 20 HB3 ALA 20 -3.919 -3.285 -2.115 158 H HIS 21 HN HIS 21 -5.386 -1.389 0.846 159 HA HIS 21 HA HIS 21 -7.760 -2.800 0.593 160 HB2 HIS 21 HB2 HIS 21 -6.766 -2.185 2.757 161 HB3 HIS 21 HB1 HIS 21 -7.132 -0.488 2.422 162 HD1 HIS 21 HD1 HIS 21 -9.498 0.347 3.094 163 HD2 HIS 21 HD2 HIS 21 -9.024 -3.787 3.397 164 HE1 HIS 21 HE1 HIS 21 -11.507 -0.482 4.305 165 HE2 HIS 21 HE2 HIS 21 -11.233 -2.976 4.457 166 H GLU 22 HN GLU 22 -7.277 0.695 0.436 167 HA GLU 22 HA GLU 22 -9.962 1.400 -0.080 168 HB2 GLU 22 HB2 GLU 22 -7.425 2.797 -0.783 169 HB3 GLU 22 HB1 GLU 22 -9.011 3.559 -0.725 170 HG2 GLU 22 HG2 GLU 22 -7.415 2.460 1.591 171 HG3 GLU 22 HG1 GLU 22 -7.809 4.148 1.279 172 H LEU 23 HN LEU 23 -7.221 0.665 -2.082 173 HA LEU 23 HA LEU 23 -8.036 1.410 -4.632 174 HB2 LEU 23 HB2 LEU 23 -5.786 0.693 -3.964 175 HB3 LEU 23 HB1 LEU 23 -6.373 -0.924 -3.705 176 HG LEU 23 HG LEU 23 -6.604 -1.250 -6.155 177 HD11 LEU 23 HD11 LEU 23 -5.860 0.486 -7.668 178 HD12 LEU 23 HD12 LEU 23 -5.499 1.559 -6.316 179 HD13 LEU 23 HD13 LEU 23 -7.170 1.133 -6.680 180 HD21 LEU 23 HD21 LEU 23 -4.055 -0.000 -5.314 181 HD22 LEU 23 HD22 LEU 23 -4.265 -1.158 -6.647 182 HD23 LEU 23 HD23 LEU 23 -4.527 -1.658 -4.962 183 H PHE 24 HN PHE 24 -8.466 -1.642 -2.943 184 HA PHE 24 HA PHE 24 -10.026 -2.820 -5.043 185 HB2 PHE 24 HB2 PHE 24 -9.379 -3.725 -2.259 186 HB3 PHE 24 HB1 PHE 24 -10.456 -4.629 -3.321 187 HD1 PHE 24 HD2 PHE 24 -7.040 -3.455 -2.831 188 HD2 PHE 24 HD1 PHE 24 -9.652 -5.826 -5.150 189 HE1 PHE 24 HE2 PHE 24 -5.108 -4.500 -3.919 190 HE2 PHE 24 HE1 PHE 24 -7.746 -6.872 -6.243 191 HZ PHE 24 HZ PHE 24 -5.470 -6.223 -5.636 192 H GLU 25 HN GLU 25 -10.710 -1.268 -2.023 193 HA GLU 25 HA GLU 25 -13.390 -1.943 -1.783 194 HB2 GLU 25 HB2 GLU 25 -12.096 -0.912 0.017 195 HB3 GLU 25 HB1 GLU 25 -11.982 0.578 -0.898 196 HG2 GLU 25 HG2 GLU 25 -13.647 0.637 0.929 197 HG3 GLU 25 HG1 GLU 25 -14.329 0.973 -0.661 198 H GLU 26 HN GLU 26 -11.924 0.780 -3.519 199 HA GLU 26 HA GLU 26 -14.518 1.653 -4.398 200 HB2 GLU 26 HB2 GLU 26 -12.738 3.302 -4.080 201 HB3 GLU 26 HB1 GLU 26 -11.790 2.528 -5.347 202 HG2 GLU 26 HG2 GLU 26 -13.526 3.081 -6.983 203 HG3 GLU 26 HG1 GLU 26 -14.493 3.823 -5.717 204 H HIS 27 HN HIS 27 -11.850 -0.126 -5.826 205 HA HIS 27 HA HIS 27 -12.873 -0.083 -8.470 206 HB2 HIS 27 HB2 HIS 27 -10.476 -0.503 -7.855 207 HB3 HIS 27 HB1 HIS 27 -10.946 -2.099 -7.299 208 HD1 HIS 27 HD1 HIS 27 -9.473 -3.305 -9.042 209 HD2 HIS 27 HD2 HIS 27 -12.241 -0.706 -10.735 210 HE1 HIS 27 HE1 HIS 27 -9.499 -3.843 -11.483 211 HE2 HIS 27 HE2 HIS 27 -10.929 -2.033 -12.493 212 H LYS 28 HN LYS 28 -13.412 -2.236 -5.760 213 HA LYS 28 HA LYS 28 -14.868 -3.888 -5.340 214 HB2 LYS 28 HB2 LYS 28 -16.272 -2.780 -7.775 215 HB3 LYS 28 HB1 LYS 28 -16.947 -4.050 -6.772 216 HG2 LYS 28 HG2 LYS 28 -16.287 -1.254 -5.838 217 HG3 LYS 28 HG1 LYS 28 -17.895 -1.828 -6.276 218 HD2 LYS 28 HD2 LYS 28 -17.624 -3.583 -4.478 219 HD3 LYS 28 HD1 LYS 28 -16.167 -2.728 -3.973 220 HE2 LYS 28 HE2 LYS 28 -18.956 -1.572 -4.077 221 HE3 LYS 28 HE1 LYS 28 -18.116 -2.085 -2.621 222 HZ1 LYS 28 HZ1 LYS 28 -17.973 0.282 -2.855 223 HZ2 LYS 28 HZ2 LYS 28 -17.382 0.156 -4.412 224 HZ3 LYS 28 HZ3 LYS 28 -16.428 -0.349 -3.120 225 H LYS 29 HN LYS 29 -12.607 -4.289 -7.294 226 HA LYS 29 HA LYS 29 -13.470 -6.912 -8.253 227 HB2 LYS 29 HB2 LYS 29 -11.893 -4.904 -9.886 228 HB3 LYS 29 HB1 LYS 29 -12.143 -6.578 -10.339 229 HG2 LYS 29 HG2 LYS 29 -14.328 -4.524 -10.023 230 HG3 LYS 29 HG1 LYS 29 -13.598 -5.007 -11.555 231 HD2 LYS 29 HD2 LYS 29 -14.390 -7.301 -11.204 232 HD3 LYS 29 HD1 LYS 29 -15.097 -6.823 -9.661 233 HE2 LYS 29 HE2 LYS 29 -16.794 -6.926 -11.420 234 HE3 LYS 29 HE1 LYS 29 -16.603 -5.286 -10.810 235 HZ1 LYS 29 HZ1 LYS 29 -15.354 -4.702 -12.768 236 HZ2 LYS 29 HZ2 LYS 29 -16.760 -5.458 -13.290 237 HZ3 LYS 29 HZ3 LYS 29 -15.321 -6.295 -13.296 238 HA PRO 30 HA PRO 30 -9.615 -7.942 -6.262 239 HB2 PRO 30 HB2 PRO 30 -9.416 -10.492 -7.192 240 HB3 PRO 30 HB1 PRO 30 -10.459 -10.024 -5.847 241 HG2 PRO 30 HG2 PRO 30 -11.143 -10.548 -8.694 242 HG3 PRO 30 HG1 PRO 30 -12.065 -10.944 -7.235 243 HD2 PRO 30 HD2 PRO 30 -12.635 -8.824 -8.864 244 HD3 PRO 30 HD1 PRO 30 -13.019 -8.855 -7.134 245 H VAL 31 HN VAL 31 -7.430 -8.409 -6.876 246 HA VAL 31 HA VAL 31 -6.796 -8.252 -9.703 247 HB VAL 31 HB VAL 31 -6.088 -6.050 -7.706 248 HG11 VAL 31 HG11 VAL 31 -4.861 -4.942 -9.462 249 HG12 VAL 31 HG12 VAL 31 -5.175 -6.290 -10.549 250 HG13 VAL 31 HG13 VAL 31 -4.174 -6.528 -9.110 251 HG21 VAL 31 HG21 VAL 31 -7.180 -4.529 -9.303 252 HG22 VAL 31 HG22 VAL 31 -8.292 -5.722 -8.630 253 HG23 VAL 31 HG23 VAL 31 -7.668 -5.920 -10.268 254 HA PRO 32 HA PRO 32 -3.333 -10.661 -8.079 255 HB2 PRO 32 HB2 PRO 32 -1.567 -10.166 -10.153 256 HB3 PRO 32 HB1 PRO 32 -2.810 -11.424 -10.169 257 HG2 PRO 32 HG2 PRO 32 -2.841 -8.703 -11.392 258 HG3 PRO 32 HG1 PRO 32 -3.467 -10.229 -12.039 259 HD2 PRO 32 HD2 PRO 32 -5.068 -8.354 -10.965 260 HD3 PRO 32 HD1 PRO 32 -5.427 -10.083 -10.798 261 H PHE 33 HN PHE 33 -1.254 -10.322 -7.232 262 HA PHE 33 HA PHE 33 -0.853 -8.097 -5.717 263 HB2 PHE 33 HB2 PHE 33 0.184 -10.300 -5.339 264 HB3 PHE 33 HB1 PHE 33 1.257 -10.021 -6.715 265 HD1 PHE 33 HD2 PHE 33 3.078 -8.366 -6.533 266 HD2 PHE 33 HD1 PHE 33 0.588 -9.325 -3.221 267 HE1 PHE 33 HE2 PHE 33 4.723 -7.362 -5.017 268 HE2 PHE 33 HE1 PHE 33 2.234 -8.324 -1.695 269 HZ PHE 33 HZ PHE 33 4.304 -7.342 -2.590 270 H GLN 34 HN GLN 34 0.832 -8.849 -8.739 271 HA GLN 34 HA GLN 34 2.477 -6.580 -8.691 272 HB2 GLN 34 HB2 GLN 34 1.645 -8.313 -11.003 273 HB3 GLN 34 HB1 GLN 34 2.842 -7.041 -11.142 274 HG2 GLN 34 HG2 GLN 34 3.041 -9.422 -9.295 275 HG3 GLN 34 HG1 GLN 34 3.834 -9.285 -10.859 276 HE21 GLN 34 HE21 GLN 34 4.581 -6.467 -10.508 277 HE22 GLN 34 HE22 GLN 34 5.836 -6.470 -9.336 278 H GLU 35 HN GLU 35 -0.876 -6.830 -9.823 279 HA GLU 35 HA GLU 35 -0.528 -4.490 -11.436 280 HB2 GLU 35 HB2 GLU 35 -2.967 -6.150 -10.833 281 HB3 GLU 35 HB1 GLU 35 -2.945 -4.764 -11.916 282 HG2 GLU 35 HG2 GLU 35 -1.384 -7.309 -12.250 283 HG3 GLU 35 HG1 GLU 35 -2.816 -6.824 -13.167 284 H LEU 36 HN LEU 36 -1.970 -5.441 -8.399 285 HA LEU 36 HA LEU 36 -3.113 -2.916 -7.880 286 HB2 LEU 36 HB2 LEU 36 -3.469 -3.717 -5.605 287 HB3 LEU 36 HB1 LEU 36 -3.879 -4.969 -6.747 288 HG LEU 36 HG LEU 36 -1.446 -5.826 -6.193 289 HD11 LEU 36 HD11 LEU 36 -2.113 -4.239 -3.741 290 HD12 LEU 36 HD12 LEU 36 -0.724 -4.024 -4.814 291 HD13 LEU 36 HD13 LEU 36 -0.884 -5.495 -3.845 292 HD21 LEU 36 HD21 LEU 36 -3.777 -6.193 -4.321 293 HD22 LEU 36 HD22 LEU 36 -2.361 -7.234 -4.404 294 HD23 LEU 36 HD23 LEU 36 -3.451 -7.123 -5.786 295 H LEU 37 HN LEU 37 0.039 -4.315 -7.404 296 HA LEU 37 HA LEU 37 1.193 -2.471 -5.683 297 HB2 LEU 37 HB2 LEU 37 2.009 -4.720 -6.312 298 HB3 LEU 37 HB1 LEU 37 2.395 -4.104 -7.899 299 HG LEU 37 HG LEU 37 4.010 -2.547 -6.829 300 HD11 LEU 37 HD11 LEU 37 2.941 -2.560 -4.592 301 HD12 LEU 37 HD12 LEU 37 4.652 -2.903 -4.541 302 HD13 LEU 37 HD13 LEU 37 3.488 -4.223 -4.366 303 HD21 LEU 37 HD21 LEU 37 4.665 -4.660 -7.859 304 HD22 LEU 37 HD22 LEU 37 4.396 -5.494 -6.327 305 HD23 LEU 37 HD23 LEU 37 5.669 -4.281 -6.463 306 H ASN 38 HN ASN 38 1.097 -2.724 -9.206 307 HA ASN 38 HA ASN 38 2.490 -0.335 -9.703 308 HB2 ASN 38 HB2 ASN 38 0.705 -2.001 -11.451 309 HB3 ASN 38 HB1 ASN 38 1.289 -0.439 -12.005 310 HD21 ASN 38 HD21 ASN 38 2.180 -3.689 -11.177 311 HD22 ASN 38 HD22 ASN 38 3.742 -3.653 -11.885 312 H GLU 39 HN GLU 39 -0.912 -0.917 -9.036 313 HA GLU 39 HA GLU 39 -1.676 1.662 -9.977 314 HB2 GLU 39 HB2 GLU 39 -3.160 -0.286 -8.213 315 HB3 GLU 39 HB1 GLU 39 -3.828 1.246 -8.749 316 HG2 GLU 39 HG2 GLU 39 -3.461 0.419 -11.112 317 HG3 GLU 39 HG1 GLU 39 -3.131 -1.161 -10.402 318 H ILE 40 HN ILE 40 -0.991 0.246 -6.812 319 HA ILE 40 HA ILE 40 -1.523 2.650 -5.478 320 HB ILE 40 HB ILE 40 -0.253 1.776 -3.551 321 HG12 ILE 40 HG12 ILE 40 0.085 -0.724 -5.167 322 HG13 ILE 40 HG11 ILE 40 1.414 0.399 -4.839 323 HG21 ILE 40 HG21 ILE 40 -2.197 -0.193 -4.697 324 HG22 ILE 40 HG22 ILE 40 -2.634 1.294 -3.863 325 HG23 ILE 40 HG23 ILE 40 -1.812 -0.003 -2.987 326 HD11 ILE 40 HD11 ILE 40 1.125 -0.085 -2.428 327 HD12 ILE 40 HD12 ILE 40 1.505 -1.533 -3.361 328 HD13 ILE 40 HD13 ILE 40 -0.151 -1.233 -2.833 329 H ALA 41 HN ALA 41 1.453 1.402 -6.888 330 HA ALA 41 HA ALA 41 3.062 3.518 -5.921 331 HB1 ALA 41 HB1 ALA 41 4.736 2.840 -7.541 332 HB2 ALA 41 HB2 ALA 41 3.555 1.827 -8.375 333 HB3 ALA 41 HB3 ALA 41 4.061 1.427 -6.730 334 H SER 42 HN SER 42 0.989 3.249 -8.736 335 HA SER 42 HA SER 42 1.936 5.698 -9.796 336 HB2 SER 42 HB2 SER 42 -0.654 4.231 -10.352 337 HB3 SER 42 HB1 SER 42 -0.038 5.597 -11.285 338 HG SER 42 HG SER 42 1.525 4.409 -12.081 339 H LEU 43 HN LEU 43 -0.787 4.861 -7.689 340 HA LEU 43 HA LEU 43 -1.864 7.501 -7.667 341 HB2 LEU 43 HB2 LEU 43 -2.225 5.298 -5.628 342 HB3 LEU 43 HB1 LEU 43 -3.200 6.749 -5.740 343 HG LEU 43 HG LEU 43 -3.076 4.501 -7.747 344 HD11 LEU 43 HD11 LEU 43 -5.296 5.437 -5.956 345 HD12 LEU 43 HD12 LEU 43 -4.349 3.960 -5.767 346 HD13 LEU 43 HD13 LEU 43 -5.412 4.156 -7.163 347 HD21 LEU 43 HD21 LEU 43 -4.610 7.100 -7.865 348 HD22 LEU 43 HD22 LEU 43 -4.882 5.720 -8.923 349 HD23 LEU 43 HD23 LEU 43 -3.338 6.567 -8.965 350 H LEU 44 HN LEU 44 0.275 5.748 -5.538 351 HA LEU 44 HA LEU 44 0.860 7.986 -3.834 352 HB2 LEU 44 HB2 LEU 44 0.998 5.724 -2.962 353 HB3 LEU 44 HB1 LEU 44 2.004 5.219 -4.288 354 HG LEU 44 HG LEU 44 3.865 6.553 -3.346 355 HD11 LEU 44 HD11 LEU 44 2.493 8.209 -2.156 356 HD12 LEU 44 HD12 LEU 44 3.737 7.453 -1.160 357 HD13 LEU 44 HD13 LEU 44 2.058 6.938 -1.002 358 HD21 LEU 44 HD21 LEU 44 3.650 4.194 -2.840 359 HD22 LEU 44 HD22 LEU 44 2.614 4.569 -1.462 360 HD23 LEU 44 HD23 LEU 44 4.303 5.075 -1.461 361 H GLY 45 HN GLY 45 1.867 9.647 -4.845 362 HA2 GLY 45 HA2 GLY 45 3.235 9.421 -7.329 363 HA3 GLY 45 HA1 GLY 45 3.190 10.848 -6.318 364 H VAL 46 HN VAL 46 4.660 7.659 -6.135 365 HA VAL 46 HA VAL 46 7.220 8.925 -5.418 366 HB VAL 46 HB VAL 46 7.758 6.878 -4.163 367 HG11 VAL 46 HG11 VAL 46 5.196 8.204 -3.319 368 HG12 VAL 46 HG12 VAL 46 6.841 8.711 -2.924 369 HG13 VAL 46 HG13 VAL 46 6.206 7.193 -2.286 370 HG21 VAL 46 HG21 VAL 46 5.909 5.236 -3.672 371 HG22 VAL 46 HG22 VAL 46 6.475 5.234 -5.338 372 HG23 VAL 46 HG23 VAL 46 4.959 6.018 -4.949 373 H LYS 47 HN LYS 47 8.838 6.875 -5.618 374 HA LYS 47 HA LYS 47 8.634 5.938 -8.374 375 HB2 LYS 47 HB2 LYS 47 11.192 5.560 -7.962 376 HB3 LYS 47 HB1 LYS 47 10.609 7.185 -8.297 377 HG2 LYS 47 HG2 LYS 47 10.653 7.705 -5.905 378 HG3 LYS 47 HG1 LYS 47 11.206 6.070 -5.553 379 HD2 LYS 47 HD2 LYS 47 13.297 6.451 -6.559 380 HD3 LYS 47 HD1 LYS 47 12.730 7.900 -7.384 381 HE2 LYS 47 HE2 LYS 47 14.204 8.437 -5.481 382 HE3 LYS 47 HE1 LYS 47 12.587 9.090 -5.269 383 HZ1 LYS 47 HZ1 LYS 47 13.606 6.605 -4.012 384 HZ2 LYS 47 HZ2 LYS 47 12.082 7.345 -3.719 385 HZ3 LYS 47 HZ3 LYS 47 13.506 8.111 -3.265 386 H LYS 48 HN LYS 48 9.050 3.838 -8.852 387 HA LYS 48 HA LYS 48 7.967 2.036 -7.000 388 HB2 LYS 48 HB2 LYS 48 7.837 1.817 -9.520 389 HB3 LYS 48 HB1 LYS 48 9.505 1.273 -9.488 390 HG2 LYS 48 HG2 LYS 48 8.416 -0.771 -9.504 391 HG3 LYS 48 HG1 LYS 48 8.623 -0.442 -7.778 392 HD2 LYS 48 HD2 LYS 48 6.298 -1.302 -8.242 393 HD3 LYS 48 HD1 LYS 48 6.270 0.332 -7.613 394 HE2 LYS 48 HE2 LYS 48 4.719 -0.034 -9.469 395 HE3 LYS 48 HE1 LYS 48 5.903 1.213 -9.851 396 HZ1 LYS 48 HZ1 LYS 48 5.508 -0.307 -11.680 397 HZ2 LYS 48 HZ2 LYS 48 6.004 -1.622 -10.778 398 HZ3 LYS 48 HZ3 LYS 48 7.099 -0.412 -11.191 399 H GLU 49 HN GLU 49 11.214 3.028 -7.638 400 HA GLU 49 HA GLU 49 12.815 0.955 -6.722 401 HB2 GLU 49 HB2 GLU 49 13.141 3.904 -6.127 402 HB3 GLU 49 HB1 GLU 49 14.418 2.706 -6.012 403 HG2 GLU 49 HG2 GLU 49 14.201 2.288 -8.424 404 HG3 GLU 49 HG1 GLU 49 12.950 3.523 -8.497 405 H GLU 50 HN GLU 50 11.530 3.599 -4.682 406 HA GLU 50 HA GLU 50 12.417 2.439 -2.225 407 HB2 GLU 50 HB2 GLU 50 11.197 4.268 -1.152 408 HB3 GLU 50 HB1 GLU 50 12.126 4.877 -2.512 409 HG2 GLU 50 HG2 GLU 50 9.976 4.729 -3.868 410 HG3 GLU 50 HG1 GLU 50 9.171 4.408 -2.352 411 H LEU 51 HN LEU 51 9.588 2.395 -4.128 412 HA LEU 51 HA LEU 51 7.865 1.253 -2.194 413 HB2 LEU 51 HB2 LEU 51 7.272 2.722 -4.218 414 HB3 LEU 51 HB1 LEU 51 7.574 1.312 -5.196 415 HG LEU 51 HG LEU 51 5.163 1.876 -4.782 416 HD11 LEU 51 HD11 LEU 51 5.749 -0.328 -5.555 417 HD12 LEU 51 HD12 LEU 51 4.404 -0.402 -4.417 418 HD13 LEU 51 HD13 LEU 51 6.028 -0.854 -3.894 419 HD21 LEU 51 HD21 LEU 51 5.333 2.545 -2.455 420 HD22 LEU 51 HD22 LEU 51 5.748 0.890 -1.997 421 HD23 LEU 51 HD23 LEU 51 4.157 1.249 -2.660 422 H GLY 52 HN GLY 52 10.374 0.139 -4.209 423 HA2 GLY 52 HA2 GLY 52 9.514 -2.537 -4.707 424 HA3 GLY 52 HA1 GLY 52 11.123 -1.879 -4.935 425 H ASP 53 HN ASP 53 11.941 -1.081 -2.625 426 HA ASP 53 HA ASP 53 12.380 -3.463 -1.134 427 HB2 ASP 53 HB2 ASP 53 12.750 -0.586 -0.241 428 HB3 ASP 53 HB1 ASP 53 13.395 -1.990 0.612 429 H ARG 54 HN ARG 54 10.090 -0.899 -0.949 430 HA ARG 54 HA ARG 54 8.844 -1.789 1.424 431 HB2 ARG 54 HB2 ARG 54 8.736 0.563 0.424 432 HB3 ARG 54 HB1 ARG 54 7.561 -0.093 -0.701 433 HG2 ARG 54 HG2 ARG 54 6.019 -0.569 1.065 434 HG3 ARG 54 HG1 ARG 54 7.222 -0.160 2.290 435 HD2 ARG 54 HD2 ARG 54 7.274 2.148 1.443 436 HD3 ARG 54 HD1 ARG 54 6.044 1.733 0.259 437 HE ARG 54 HE ARG 54 4.650 1.162 2.319 438 HH11 ARG 54 HH11 ARG 54 7.136 3.687 2.379 439 HH12 ARG 54 HH12 ARG 54 6.297 4.669 3.479 440 HH21 ARG 54 HH21 ARG 54 3.463 2.636 3.879 441 HH22 ARG 54 HH22 ARG 54 4.227 4.063 4.303 442 H ILE 55 HN ILE 55 8.750 -2.987 -1.820 443 HA ILE 55 HA ILE 55 6.196 -4.270 -1.824 444 HB ILE 55 HB ILE 55 8.773 -5.090 -3.248 445 HG12 ILE 55 HG12 ILE 55 6.319 -3.844 -4.436 446 HG13 ILE 55 HG11 ILE 55 7.737 -2.908 -3.982 447 HG21 ILE 55 HG21 ILE 55 5.989 -6.147 -3.690 448 HG22 ILE 55 HG22 ILE 55 7.349 -7.029 -2.997 449 HG23 ILE 55 HG23 ILE 55 7.394 -6.524 -4.689 450 HD11 ILE 55 HD11 ILE 55 7.572 -5.084 -6.076 451 HD12 ILE 55 HD12 ILE 55 9.057 -4.277 -5.611 452 HD13 ILE 55 HD13 ILE 55 7.756 -3.355 -6.373 453 H ALA 56 HN ALA 56 9.453 -5.192 -0.960 454 HA ALA 56 HA ALA 56 8.907 -7.803 -0.034 455 HB1 ALA 56 HB1 ALA 56 10.926 -5.839 1.009 456 HB2 ALA 56 HB2 ALA 56 11.177 -6.961 -0.331 457 HB3 ALA 56 HB3 ALA 56 10.948 -7.574 1.313 458 H GLN 57 HN GLN 57 8.975 -4.736 1.659 459 HA GLN 57 HA GLN 57 8.155 -5.591 4.183 460 HB2 GLN 57 HB2 GLN 57 9.034 -3.269 3.340 461 HB3 GLN 57 HB1 GLN 57 7.352 -2.922 3.016 462 HG2 GLN 57 HG2 GLN 57 8.459 -3.611 5.746 463 HG3 GLN 57 HG1 GLN 57 8.249 -1.978 5.148 464 HE21 GLN 57 HE21 GLN 57 6.714 -4.768 6.454 465 HE22 GLN 57 HE22 GLN 57 5.165 -4.058 6.728 466 H PHE 58 HN PHE 58 6.360 -4.686 1.314 467 HA PHE 58 HA PHE 58 3.783 -4.755 2.372 468 HB2 PHE 58 HB2 PHE 58 4.351 -3.612 0.300 469 HB3 PHE 58 HB1 PHE 58 4.688 -5.152 -0.468 470 HD1 PHE 58 HD1 PHE 58 1.811 -4.167 1.707 471 HD2 PHE 58 HD2 PHE 58 3.154 -5.307 -2.158 472 HE1 PHE 58 HE1 PHE 58 -0.509 -4.262 0.934 473 HE2 PHE 58 HE2 PHE 58 0.853 -5.410 -2.936 474 HZ PHE 58 HZ PHE 58 -1.005 -4.885 -1.392 475 H TYR 59 HN TYR 59 5.749 -7.309 0.864 476 HA TYR 59 HA TYR 59 3.738 -9.257 0.805 477 HB2 TYR 59 HB2 TYR 59 6.710 -9.534 1.218 478 HB3 TYR 59 HB1 TYR 59 5.664 -10.938 1.327 479 HD1 TYR 59 HD2 TYR 59 4.105 -11.320 -0.753 480 HD2 TYR 59 HD1 TYR 59 7.643 -8.978 -0.824 481 HE1 TYR 59 HE2 TYR 59 4.262 -11.644 -3.185 482 HE2 TYR 59 HE1 TYR 59 7.812 -9.292 -3.254 483 HH TYR 59 HH TYR 59 7.055 -10.897 -4.930 484 H THR 60 HN THR 60 5.839 -8.246 3.457 485 HA THR 60 HA THR 60 4.736 -10.033 5.357 486 HB THR 60 HB THR 60 5.889 -7.314 5.909 487 HG1 THR 60 HG1 THR 60 7.876 -8.256 5.742 488 HG21 THR 60 HG21 THR 60 5.917 -9.929 7.427 489 HG22 THR 60 HG22 THR 60 4.948 -8.508 7.823 490 HG23 THR 60 HG23 THR 60 6.707 -8.440 7.941 491 H ASP 61 HN ASP 61 4.166 -6.582 4.757 492 HA ASP 61 HA ASP 61 2.291 -5.930 6.677 493 HB2 ASP 61 HB2 ASP 61 3.570 -4.373 5.164 494 HB3 ASP 61 HB1 ASP 61 2.477 -4.830 3.870 495 H LEU 62 HN LEU 62 1.765 -7.100 3.432 496 HA LEU 62 HA LEU 62 -1.057 -6.969 3.423 497 HB2 LEU 62 HB2 LEU 62 0.381 -6.923 1.442 498 HB3 LEU 62 HB1 LEU 62 0.868 -8.567 1.757 499 HG LEU 62 HG LEU 62 -1.427 -9.325 1.276 500 HD11 LEU 62 HD11 LEU 62 -2.991 -7.741 0.260 501 HD12 LEU 62 HD12 LEU 62 -1.885 -6.416 0.631 502 HD13 LEU 62 HD13 LEU 62 -2.637 -7.340 1.935 503 HD21 LEU 62 HD21 LEU 62 0.258 -9.255 -0.475 504 HD22 LEU 62 HD22 LEU 62 -0.181 -7.589 -0.844 505 HD23 LEU 62 HD23 LEU 62 -1.343 -8.890 -1.116 506 H ASN 63 HN ASN 63 1.252 -9.648 4.019 507 HA ASN 63 HA ASN 63 -0.939 -11.504 4.259 508 HB2 ASN 63 HB2 ASN 63 2.021 -11.915 4.560 509 HB3 ASN 63 HB1 ASN 63 0.878 -13.167 5.023 510 HD21 ASN 63 HD21 ASN 63 2.350 -11.467 2.414 511 HD22 ASN 63 HD22 ASN 63 1.727 -12.484 1.151 512 H ILE 64 HN ILE 64 0.525 -9.429 6.477 513 HA ILE 64 HA ILE 64 -0.360 -11.154 8.664 514 HB ILE 64 HB ILE 64 0.697 -9.570 10.220 515 HG12 ILE 64 HG12 ILE 64 1.564 -8.056 7.736 516 HG13 ILE 64 HG11 ILE 64 0.380 -7.495 8.906 517 HG21 ILE 64 HG21 ILE 64 2.521 -10.443 7.985 518 HG22 ILE 64 HG22 ILE 64 2.013 -11.417 9.360 519 HG23 ILE 64 HG23 ILE 64 3.037 -10.000 9.613 520 HD11 ILE 64 HD11 ILE 64 2.529 -6.408 9.229 521 HD12 ILE 64 HD12 ILE 64 3.304 -7.978 9.439 522 HD13 ILE 64 HD13 ILE 64 2.126 -7.411 10.621 523 H ASP 65 HN ASP 65 -1.808 -9.101 6.693 524 HA ASP 65 HA ASP 65 -3.287 -7.644 8.744 525 HB2 ASP 65 HB2 ASP 65 -2.351 -6.305 6.877 526 HB3 ASP 65 HB1 ASP 65 -3.297 -7.283 5.753 527 H GLY 66 HN GLY 66 -5.507 -7.754 8.829 528 HA2 GLY 66 HA2 GLY 66 -6.500 -10.276 7.768 529 HA3 GLY 66 HA1 GLY 66 -7.100 -9.417 9.205 530 H ARG 67 HN ARG 67 -6.693 -7.205 6.648 531 HA ARG 67 HA ARG 67 -9.581 -7.326 6.243 532 HB2 ARG 67 HB2 ARG 67 -7.543 -5.294 5.298 533 HB3 ARG 67 HB1 ARG 67 -9.238 -5.236 4.873 534 HG2 ARG 67 HG2 ARG 67 -8.861 -3.646 6.609 535 HG3 ARG 67 HG1 ARG 67 -9.778 -4.975 7.300 536 HD2 ARG 67 HD2 ARG 67 -7.729 -5.875 8.281 537 HD3 ARG 67 HD1 ARG 67 -6.796 -4.568 7.560 538 HE ARG 67 HE ARG 67 -8.960 -3.682 9.201 539 HH11 ARG 67 HH11 ARG 67 -5.511 -4.543 9.154 540 HH12 ARG 67 HH12 ARG 67 -5.176 -3.836 10.656 541 HH21 ARG 67 HH21 ARG 67 -8.472 -2.684 11.244 542 HH22 ARG 67 HH22 ARG 67 -6.900 -2.723 11.868 543 H PHE 68 HN PHE 68 -6.613 -7.852 4.632 544 HA PHE 68 HA PHE 68 -7.810 -8.226 2.051 545 HB2 PHE 68 HB2 PHE 68 -5.121 -7.932 3.091 546 HB3 PHE 68 HB1 PHE 68 -5.256 -9.163 1.837 547 HD1 PHE 68 HD2 PHE 68 -5.893 -5.613 2.612 548 HD2 PHE 68 HD1 PHE 68 -5.552 -8.599 -0.384 549 HE1 PHE 68 HE2 PHE 68 -5.897 -3.878 0.877 550 HE2 PHE 68 HE1 PHE 68 -5.558 -6.876 -2.120 551 HZ PHE 68 HZ PHE 68 -5.726 -4.530 -1.503 552 H LEU 69 HN LEU 69 -7.558 -10.059 0.816 553 HA LEU 69 HA LEU 69 -7.153 -12.590 2.173 554 HB2 LEU 69 HB2 LEU 69 -9.531 -12.260 2.340 555 HB3 LEU 69 HB1 LEU 69 -9.632 -11.730 0.690 556 HG LEU 69 HG LEU 69 -8.957 -14.045 -0.008 557 HD11 LEU 69 HD11 LEU 69 -7.887 -14.763 2.042 558 HD12 LEU 69 HD12 LEU 69 -9.189 -15.856 1.587 559 HD13 LEU 69 HD13 LEU 69 -9.433 -14.691 2.888 560 HD21 LEU 69 HD21 LEU 69 -11.272 -13.297 -0.073 561 HD22 LEU 69 HD22 LEU 69 -11.484 -13.788 1.609 562 HD23 LEU 69 HD23 LEU 69 -11.167 -15.000 0.368 563 H ALA 70 HN ALA 70 -5.964 -13.879 0.818 564 HA ALA 70 HA ALA 70 -5.819 -13.219 -2.011 565 HB1 ALA 70 HB1 ALA 70 -3.727 -13.937 -0.901 566 HB2 ALA 70 HB2 ALA 70 -4.220 -15.140 -2.094 567 HB3 ALA 70 HB3 ALA 70 -4.510 -15.430 -0.378 568 H LEU 71 HN LEU 71 -7.591 -13.785 -3.009 569 HA LEU 71 HA LEU 71 -9.719 -15.103 -2.031 570 HB2 LEU 71 HB2 LEU 71 -8.998 -15.042 -4.942 571 HB3 LEU 71 HB1 LEU 71 -10.588 -15.385 -4.291 572 HG LEU 71 HG LEU 71 -9.077 -12.789 -4.182 573 HD11 LEU 71 HD11 LEU 71 -10.964 -11.985 -5.490 574 HD12 LEU 71 HD12 LEU 71 -11.606 -13.630 -5.556 575 HD13 LEU 71 HD13 LEU 71 -10.055 -13.253 -6.308 576 HD21 LEU 71 HD21 LEU 71 -11.111 -11.868 -3.107 577 HD22 LEU 71 HD22 LEU 71 -10.250 -13.018 -2.093 578 HD23 LEU 71 HD23 LEU 71 -11.722 -13.519 -2.928 579 H SER 72 HN SER 72 -8.470 -16.924 -4.792 580 HA SER 72 HA SER 72 -8.827 -19.203 -3.054 581 HB2 SER 72 HB2 SER 72 -9.008 -19.110 -6.064 582 HB3 SER 72 HB1 SER 72 -9.247 -20.547 -5.058 583 HG SER 72 HG SER 72 -10.636 -18.559 -4.056 584 H ASP 73 HN ASP 73 -6.592 -18.434 -5.819 585 HA ASP 73 HA ASP 73 -4.681 -19.503 -3.975 586 HB2 ASP 73 HB2 ASP 73 -3.376 -20.823 -5.591 587 HB3 ASP 73 HB1 ASP 73 -4.999 -21.420 -5.340 588 H GLN 74 HN GLN 74 -5.144 -16.841 -5.935 589 HA GLN 74 HA GLN 74 -2.531 -15.985 -5.075 590 HB2 GLN 74 HB2 GLN 74 -1.488 -15.452 -7.164 591 HB3 GLN 74 HB1 GLN 74 -1.958 -17.136 -7.189 592 HG2 GLN 74 HG2 GLN 74 -3.361 -14.868 -8.609 593 HG3 GLN 74 HG1 GLN 74 -2.317 -16.077 -9.353 594 HE21 GLN 74 HE21 GLN 74 -3.102 -18.154 -9.595 595 HE22 GLN 74 HE22 GLN 74 -4.768 -18.544 -9.433 596 H THR 75 HN THR 75 -5.393 -14.998 -6.952 597 HA THR 75 HA THR 75 -4.699 -12.289 -7.002 598 HB THR 75 HB THR 75 -7.227 -11.999 -7.424 599 HG1 THR 75 HG1 THR 75 -8.293 -13.929 -7.922 600 HG21 THR 75 HG21 THR 75 -6.997 -12.890 -9.702 601 HG22 THR 75 HG22 THR 75 -5.564 -13.790 -9.202 602 HG23 THR 75 HG23 THR 75 -5.543 -12.027 -9.202 603 H TRP 76 HN TRP 76 -5.065 -10.585 -5.677 604 HA TRP 76 HA TRP 76 -5.954 -11.282 -3.023 605 HB2 TRP 76 HB2 TRP 76 -4.392 -8.937 -4.098 606 HB3 TRP 76 HB1 TRP 76 -4.934 -9.077 -2.431 607 HD1 TRP 76 HD1 TRP 76 -2.331 -10.446 -4.861 608 HE1 TRP 76 HE1 TRP 76 -0.566 -11.772 -3.515 609 HE3 TRP 76 HE3 TRP 76 -4.630 -10.476 -0.294 610 HZ2 TRP 76 HZ2 TRP 76 -0.207 -12.696 -0.881 611 HZ3 TRP 76 HZ3 TRP 76 -3.507 -11.595 1.583 612 HH2 TRP 76 HH2 TRP 76 -1.340 -12.680 1.289 613 H GLY 77 HN GLY 77 -7.425 -10.043 -1.967 614 HA2 GLY 77 HA2 GLY 77 -8.674 -7.796 -3.145 615 HA3 GLY 77 HA1 GLY 77 -9.686 -9.245 -3.194 616 H LEU 78 HN LEU 78 -11.032 -7.989 -1.792 617 HA LEU 78 HA LEU 78 -10.062 -7.762 0.952 618 HB2 LEU 78 HB2 LEU 78 -12.657 -6.798 -0.260 619 HB3 LEU 78 HB1 LEU 78 -12.124 -6.504 1.383 620 HG LEU 78 HG LEU 78 -10.852 -5.416 -1.127 621 HD11 LEU 78 HD11 LEU 78 -12.949 -4.348 -0.592 622 HD12 LEU 78 HD12 LEU 78 -11.600 -3.257 -0.284 623 HD13 LEU 78 HD13 LEU 78 -12.408 -4.062 1.062 624 HD21 LEU 78 HD21 LEU 78 -10.105 -4.996 1.766 625 HD22 LEU 78 HD22 LEU 78 -9.440 -4.109 0.397 626 HD23 LEU 78 HD23 LEU 78 -9.142 -5.841 0.547 627 H ARG 79 HN ARG 79 -10.968 -8.923 2.552 628 HA ARG 79 HA ARG 79 -11.814 -11.484 1.771 629 HB2 ARG 79 HB2 ARG 79 -11.822 -12.045 4.106 630 HB3 ARG 79 HB1 ARG 79 -10.457 -10.990 3.795 631 HG2 ARG 79 HG2 ARG 79 -11.665 -9.110 4.740 632 HG3 ARG 79 HG1 ARG 79 -13.078 -10.128 4.991 633 HD2 ARG 79 HD2 ARG 79 -11.271 -11.579 6.293 634 HD3 ARG 79 HD1 ARG 79 -10.535 -9.989 6.473 635 HE ARG 79 HE ARG 79 -13.369 -10.270 7.056 636 HH11 ARG 79 HH11 ARG 79 -10.144 -9.794 8.432 637 HH12 ARG 79 HH12 ARG 79 -10.693 -9.636 10.038 638 HH21 ARG 79 HH21 ARG 79 -14.126 -9.994 9.243 639 HH22 ARG 79 HH22 ARG 79 -13.042 -9.725 10.515 640 H SER 80 HN SER 80 -13.636 -8.779 3.131 641 HA SER 80 HA SER 80 -15.873 -10.359 3.865 642 HB2 SER 80 HB2 SER 80 -15.514 -7.374 3.877 643 HB3 SER 80 HB1 SER 80 -16.731 -8.299 4.767 644 HG SER 80 HG SER 80 -14.936 -9.449 5.718 645 H TRP 81 HN TRP 81 -15.304 -10.022 0.887 646 HA TRP 81 HA TRP 81 -17.621 -8.588 -0.141 647 HB2 TRP 81 HB2 TRP 81 -15.647 -10.433 -1.471 648 HB3 TRP 81 HB1 TRP 81 -17.010 -9.717 -2.308 649 HD1 TRP 81 HD1 TRP 81 -16.607 -6.785 -0.969 650 HE1 TRP 81 HE1 TRP 81 -14.774 -5.312 -1.932 651 HE3 TRP 81 HE3 TRP 81 -13.738 -10.464 -3.025 652 HZ2 TRP 81 HZ2 TRP 81 -12.387 -5.660 -3.441 653 HZ3 TRP 81 HZ3 TRP 81 -11.699 -9.805 -4.240 654 HH2 TRP 81 HH2 TRP 81 -11.035 -7.434 -4.428 655 H TYR 82 HN TYR 82 -16.584 -11.857 0.275 656 HA TYR 82 HA TYR 82 -18.890 -13.015 -1.047 657 HB2 TYR 82 HB2 TYR 82 -16.336 -14.163 0.077 658 HB3 TYR 82 HB1 TYR 82 -17.523 -15.053 -0.854 659 HD1 TYR 82 HD1 TYR 82 -17.909 -14.397 -3.237 660 HD2 TYR 82 HD2 TYR 82 -14.637 -12.938 -0.972 661 HE1 TYR 82 HE1 TYR 82 -16.728 -13.868 -5.303 662 HE2 TYR 82 HE2 TYR 82 -13.434 -12.399 -3.020 663 HH TYR 82 HH TYR 82 -13.471 -13.232 -5.435
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