NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
637979 | 5zkv | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 1H GLY 1 -19.365 3.927 -0.372 2 H2 GLY 1 2H GLY 1 -18.757 3.400 -1.859 3 H3 GLY 1 3H GLY 1 -18.927 5.055 -1.556 4 HA2 GLY 1 HA2 GLY 1 -17.293 3.686 0.381 5 HA3 GLY 1 HA3 GLY 1 -16.642 3.647 -1.250 6 H ASP 2 H ASP 2 -16.579 5.319 1.561 7 HA ASP 2 HA ASP 2 -16.000 7.873 0.211 8 HB2 ASP 2 HB3 ASP 2 -16.605 7.578 3.148 9 HB3 ASP 2 HB2 ASP 2 -16.649 9.040 2.165 10 H VAL 3 H VAL 3 -14.230 9.142 1.082 11 HA VAL 3 HA VAL 3 -11.873 7.643 1.401 12 HB VAL 3 HB VAL 3 -12.565 10.528 1.534 13 HG11 VAL 3 HG11 VAL 3 -11.235 10.601 3.434 14 HG12 VAL 3 HG12 VAL 3 -10.081 10.919 2.139 15 HG13 VAL 3 HG13 VAL 3 -10.174 9.313 2.863 16 HG21 VAL 3 HG21 VAL 3 -11.812 10.250 -0.549 17 HG22 VAL 3 HG22 VAL 3 -11.087 8.688 -0.165 18 HG23 VAL 3 HG23 VAL 3 -10.199 10.176 0.162 19 H GLU 4 H GLU 4 -13.908 9.358 3.736 20 HA GLU 4 HA GLU 4 -12.267 9.089 5.982 21 HB2 GLU 4 HB3 GLU 4 -14.187 10.556 6.014 22 HB3 GLU 4 HB2 GLU 4 -15.279 9.201 5.766 23 HG2 GLU 4 HG3 GLU 4 -14.386 8.298 7.974 24 HG3 GLU 4 HG2 GLU 4 -13.697 9.901 8.213 25 H LYS 5 H LYS 5 -14.807 6.946 4.734 26 HA LYS 5 HA LYS 5 -14.630 5.027 6.794 27 HB2 LYS 5 HB3 LYS 5 -15.499 4.592 3.931 28 HB3 LYS 5 HB2 LYS 5 -15.886 3.570 5.306 29 HG2 LYS 5 HG3 LYS 5 -16.797 6.025 6.115 30 HG3 LYS 5 HG2 LYS 5 -17.146 6.025 4.384 31 HD2 LYS 5 HD3 LYS 5 -17.815 3.525 5.767 32 HD3 LYS 5 HD2 LYS 5 -18.747 4.928 6.296 33 HE2 LYS 5 HE3 LYS 5 -20.017 4.764 4.485 34 HE3 LYS 5 HE2 LYS 5 -18.599 5.005 3.468 35 HZ1 LYS 5 HZ1 LYS 5 -20.123 2.668 3.825 36 HZ2 LYS 5 HZ2 LYS 5 -18.545 2.369 4.356 37 HZ3 LYS 5 HZ3 LYS 5 -18.815 2.927 2.782 38 H GLY 6 H GLY 6 -12.958 5.393 3.713 39 HA2 GLY 6 HA3 GLY 6 -11.689 2.879 3.653 40 HA3 GLY 6 HA2 GLY 6 -11.126 4.328 2.836 41 H LYS 7 H LYS 7 -10.675 5.971 5.028 42 HA LYS 7 HA LYS 7 -8.082 5.253 5.682 43 HB2 LYS 7 HB3 LYS 7 -8.491 7.522 5.900 44 HB3 LYS 7 HB2 LYS 7 -10.007 7.271 6.757 45 HG2 LYS 7 HG3 LYS 7 -7.850 6.220 8.313 46 HG3 LYS 7 HG2 LYS 7 -7.489 7.882 7.836 47 HD2 LYS 7 HD3 LYS 7 -10.165 7.941 8.576 48 HD3 LYS 7 HD2 LYS 7 -9.408 6.880 9.765 49 HE2 LYS 7 HE3 LYS 7 -8.901 8.799 10.817 50 HE3 LYS 7 HE2 LYS 7 -7.594 8.890 9.636 51 HZ1 LYS 7 HZ1 LYS 7 -8.520 10.910 9.300 52 HZ2 LYS 7 HZ2 LYS 7 -10.064 10.430 9.794 53 HZ3 LYS 7 HZ3 LYS 7 -9.512 10.033 8.245 54 H LYS 8 H LYS 8 -10.843 4.967 7.547 55 HA LYS 8 HA LYS 8 -9.889 3.851 9.959 56 HB2 LYS 8 HB3 LYS 8 -12.026 4.594 10.252 57 HB3 LYS 8 HB2 LYS 8 -12.522 4.138 8.629 58 HG2 LYS 8 HG3 LYS 8 -11.916 1.934 10.500 59 HG3 LYS 8 HG2 LYS 8 -13.371 2.879 10.817 60 HD2 LYS 8 HD3 LYS 8 -14.282 2.358 8.693 61 HD3 LYS 8 HD2 LYS 8 -12.744 1.711 8.116 62 HE2 LYS 8 HE3 LYS 8 -13.990 0.462 10.510 63 HE3 LYS 8 HE2 LYS 8 -14.705 0.132 8.931 64 HZ1 LYS 8 HZ1 LYS 8 -11.824 -0.240 9.519 65 HZ2 LYS 8 HZ2 LYS 8 -12.675 -0.776 8.160 66 HZ3 LYS 8 HZ3 LYS 8 -12.968 -1.477 9.670 67 H ILE 9 H ILE 9 -10.992 2.413 6.929 68 HA ILE 9 HA ILE 9 -11.023 -0.268 7.760 69 HB ILE 9 HB ILE 9 -10.818 1.090 5.114 70 HG12 ILE 9 HG13 ILE 9 -12.662 -1.050 6.204 71 HG13 ILE 9 HG12 ILE 9 -12.998 0.679 6.222 72 HG21 ILE 9 HG21 ILE 9 -10.558 -1.895 5.368 73 HG22 ILE 9 HG22 ILE 9 -9.176 -0.824 5.133 74 HG23 ILE 9 HG23 ILE 9 -10.442 -0.913 3.908 75 HD11 ILE 9 HD11 ILE 9 -13.164 -1.261 4.026 76 HD12 ILE 9 HD12 ILE 9 -12.503 0.318 3.602 77 HD13 ILE 9 HD13 ILE 9 -14.104 0.199 4.332 78 H PHE 10 H PHE 10 -8.464 1.691 6.287 79 HA PHE 10 HA PHE 10 -6.521 -0.356 6.140 80 HB2 PHE 10 HB3 PHE 10 -5.930 1.417 4.806 81 HB3 PHE 10 HB2 PHE 10 -6.516 2.615 5.954 82 HD1 PHE 10 HD1 PHE 10 -3.671 1.357 4.463 83 HD2 PHE 10 HD2 PHE 10 -5.136 2.560 8.273 84 HE1 PHE 10 HE1 PHE 10 -1.364 1.747 5.223 85 HE2 PHE 10 HE2 PHE 10 -2.830 2.954 9.041 86 HZ PHE 10 HZ PHE 10 -0.941 2.547 7.514 87 H VAL 11 H VAL 11 -7.363 1.971 8.630 88 HA VAL 11 HA VAL 11 -5.193 1.802 10.302 89 HB VAL 11 HB VAL 11 -8.111 2.056 11.018 90 HG11 VAL 11 HG11 VAL 11 -5.661 2.240 12.748 91 HG12 VAL 11 HG12 VAL 11 -7.120 1.284 13.006 92 HG13 VAL 11 HG13 VAL 11 -7.175 3.039 13.172 93 HG21 VAL 11 HG21 VAL 11 -6.227 3.827 9.862 94 HG22 VAL 11 HG22 VAL 11 -6.560 4.394 11.499 95 HG23 VAL 11 HG23 VAL 11 -7.885 4.162 10.357 96 H GLN 12 H GLN 12 -8.066 -0.358 10.358 97 HA GLN 12 HA GLN 12 -6.762 -2.086 12.378 98 HB2 GLN 12 HB3 GLN 12 -9.103 -3.272 11.121 99 HB3 GLN 12 HB2 GLN 12 -8.845 -2.842 12.807 100 HG2 GLN 12 HG3 GLN 12 -9.230 -0.399 11.671 101 HG3 GLN 12 HG2 GLN 12 -10.286 -1.422 10.697 102 HE21 GLN 12 HE21 GLN 12 -12.041 -0.232 11.612 103 HE22 GLN 12 HE22 GLN 12 -12.633 -0.625 13.187 104 H LYS 13 H LYS 13 -7.843 -2.143 9.200 105 HA LYS 13 HA LYS 13 -7.331 -4.096 7.686 106 HB2 LYS 13 HB3 LYS 13 -6.920 -1.361 7.464 107 HB3 LYS 13 HB2 LYS 13 -5.424 -2.084 6.898 108 HG2 LYS 13 HG3 LYS 13 -8.090 -2.075 5.687 109 HG3 LYS 13 HG2 LYS 13 -6.498 -2.176 4.935 110 HD2 LYS 13 HD3 LYS 13 -6.406 -4.565 5.786 111 HD3 LYS 13 HD2 LYS 13 -8.120 -4.394 6.167 112 HE2 LYS 13 HE3 LYS 13 -6.856 -4.943 3.646 113 HE3 LYS 13 HE2 LYS 13 -8.565 -4.990 4.073 114 HZ1 LYS 13 HZ1 LYS 13 -8.744 -2.654 3.622 115 HZ2 LYS 13 HZ2 LYS 13 -8.058 -3.411 2.275 116 HZ3 LYS 13 HZ3 LYS 13 -7.083 -2.525 3.334 117 H CYS 14 H CYS 14 -4.619 -2.448 9.170 118 HA CYS 14 HA CYS 14 -2.894 -4.428 9.590 119 HB2 CYS 14 HB3 CYS 14 -1.544 -4.901 7.657 120 HB3 CYS 14 HB2 CYS 14 -3.040 -5.636 7.759 121 H ALA 15 H ALA 15 -3.463 -1.433 9.755 122 HA ALA 15 HA ALA 15 -1.347 -0.103 8.573 123 HB1 ALA 15 HB1 ALA 15 -2.579 0.741 11.182 124 HB2 ALA 15 HB2 ALA 15 -3.411 0.892 9.635 125 HB3 ALA 15 HB3 ALA 15 -1.903 1.763 9.914 126 H GLN 16 H GLN 16 -1.437 -1.900 11.563 127 HA GLN 16 HA GLN 16 0.795 -0.907 12.874 128 HB2 GLN 16 HB3 GLN 16 0.501 -3.846 12.922 129 HB3 GLN 16 HB2 GLN 16 0.576 -2.697 14.252 130 HG2 GLN 16 HG3 GLN 16 -1.790 -2.029 13.592 131 HG3 GLN 16 HG2 GLN 16 -1.796 -3.487 12.598 132 HE21 GLN 16 HE21 GLN 16 -0.616 -2.693 15.852 133 HE22 GLN 16 HE22 GLN 16 -1.436 -3.989 16.650 134 H CYS 17 H CYS 17 0.575 -3.140 10.173 135 HA CYS 17 HA CYS 17 3.370 -3.795 10.176 136 HB2 CYS 17 HB3 CYS 17 1.523 -4.141 7.827 137 HB3 CYS 17 HB2 CYS 17 2.918 -5.115 8.280 138 H HIS 18 H HIS 18 1.440 -1.241 8.948 139 HA HIS 18 HA HIS 18 3.646 -0.347 7.217 140 HB2 HIS 18 HB3 HIS 18 0.744 0.493 7.133 141 HB3 HIS 18 HB2 HIS 18 2.003 0.996 6.010 142 HD1 HIS 18 HD1 HIS 18 1.716 -0.179 3.864 143 HD2 HIS 18 HD2 HIS 18 0.776 -2.623 7.088 144 HE1 HIS 18 HE1 HIS 18 1.108 -2.405 2.865 145 H THR 19 H THR 19 3.155 -0.017 10.199 146 HA THR 19 HA THR 19 3.331 1.582 11.809 147 HB THR 19 HB THR 19 4.784 3.077 9.620 148 HG1 THR 19 HG1 THR 19 6.608 1.998 10.380 149 HG21 THR 19 HG21 THR 19 5.241 3.197 12.585 150 HG22 THR 19 HG22 THR 19 4.321 4.395 11.675 151 HG23 THR 19 HG23 THR 19 6.034 4.153 11.333 152 H VAL 20 H VAL 20 2.708 3.724 12.516 153 HA VAL 20 HA VAL 20 0.295 4.595 11.180 154 HB VAL 20 HB VAL 20 1.415 5.925 13.621 155 HG11 VAL 20 HG11 VAL 20 -0.730 6.585 12.297 156 HG12 VAL 20 HG12 VAL 20 -0.771 6.534 14.059 157 HG13 VAL 20 HG13 VAL 20 -1.441 5.199 13.122 158 HG21 VAL 20 HG21 VAL 20 0.408 4.234 15.034 159 HG22 VAL 20 HG22 VAL 20 1.609 3.492 13.976 160 HG23 VAL 20 HG23 VAL 20 -0.110 3.322 13.616 161 H GLU 21 H GLU 21 0.848 7.325 12.505 162 HA GLU 21 HA GLU 21 1.554 8.685 10.134 163 HB2 GLU 21 HB3 GLU 21 1.930 10.285 12.522 164 HB3 GLU 21 HB2 GLU 21 0.761 10.472 11.223 165 HG2 GLU 21 HG3 GLU 21 -0.685 8.812 12.290 166 HG3 GLU 21 HG2 GLU 21 0.486 8.640 13.597 167 H LYS 22 H LYS 22 3.397 9.810 9.561 168 HA LYS 22 HA LYS 22 5.851 8.665 10.083 169 HB2 LYS 22 HB3 LYS 22 5.158 10.318 8.228 170 HB3 LYS 22 HB2 LYS 22 5.584 11.578 9.378 171 HG2 LYS 22 HG3 LYS 22 7.390 9.478 8.210 172 HG3 LYS 22 HG2 LYS 22 7.453 11.222 7.953 173 HD2 LYS 22 HD3 LYS 22 7.977 9.773 10.547 174 HD3 LYS 22 HD2 LYS 22 9.184 10.539 9.513 175 HE2 LYS 22 HE3 LYS 22 8.252 12.710 9.937 176 HE3 LYS 22 HE2 LYS 22 6.892 12.004 10.811 177 HZ1 LYS 22 HZ1 LYS 22 9.389 12.773 11.817 178 HZ2 LYS 22 HZ2 LYS 22 9.257 11.094 11.994 179 HZ3 LYS 22 HZ3 LYS 22 8.079 12.108 12.658 180 H GLY 23 H GLY 23 7.088 8.625 11.810 181 HA2 GLY 23 HA3 GLY 23 8.245 10.483 13.281 182 HA3 GLY 23 HA2 GLY 23 6.624 10.546 13.963 183 H GLY 24 H GLY 24 6.162 7.683 13.603 184 HA2 GLY 24 HA3 GLY 24 7.350 6.806 16.077 185 HA3 GLY 24 HA2 GLY 24 6.240 5.890 15.068 186 H LYS 25 H LYS 25 7.170 4.005 14.604 187 HA LYS 25 HA LYS 25 10.022 3.998 13.869 188 HB2 LYS 25 HB3 LYS 25 8.858 1.376 14.345 189 HB3 LYS 25 HB2 LYS 25 10.286 2.116 15.057 190 HG2 LYS 25 HG3 LYS 25 9.163 2.869 16.880 191 HG3 LYS 25 HG2 LYS 25 7.648 3.073 16.001 192 HD2 LYS 25 HD3 LYS 25 8.863 0.461 16.898 193 HD3 LYS 25 HD2 LYS 25 7.454 1.258 17.603 194 HE2 LYS 25 HE3 LYS 25 6.125 0.276 16.122 195 HE3 LYS 25 HE2 LYS 25 7.046 0.983 14.795 196 HZ1 LYS 25 HZ1 LYS 25 7.084 -1.703 15.824 197 HZ2 LYS 25 HZ2 LYS 25 8.629 -1.051 15.606 198 HZ3 LYS 25 HZ3 LYS 25 7.552 -1.120 14.306 199 H HIS 26 H HIS 26 10.690 2.585 12.131 200 HA HIS 26 HA HIS 26 9.089 2.843 9.831 201 HB2 HIS 26 HB3 HIS 26 10.990 0.746 9.444 202 HB3 HIS 26 HB2 HIS 26 11.039 2.398 8.838 203 HD1 HIS 26 HD1 HIS 26 11.775 0.733 12.192 204 HD2 HIS 26 HD2 HIS 26 13.303 3.620 9.624 205 HE1 HIS 26 HE1 HIS 26 13.878 1.564 13.291 206 HE2 HIS 26 HE2 HIS 26 14.734 3.377 11.765 207 H LYS 27 H LYS 27 7.813 1.427 8.723 208 HA LYS 27 HA LYS 27 6.749 -0.793 10.256 209 HB2 LYS 27 HB3 LYS 27 4.889 -0.680 8.903 210 HB3 LYS 27 HB2 LYS 27 5.455 0.983 8.815 211 HG2 LYS 27 HG3 LYS 27 6.794 -0.294 6.755 212 HG3 LYS 27 HG2 LYS 27 5.172 -0.990 6.723 213 HD2 LYS 27 HD3 LYS 27 5.618 1.150 5.359 214 HD3 LYS 27 HD2 LYS 27 4.162 1.076 6.354 215 HE2 LYS 27 HE3 LYS 27 4.827 2.798 7.602 216 HE3 LYS 27 HE2 LYS 27 6.425 2.091 7.845 217 HZ1 LYS 27 HZ1 LYS 27 7.205 3.061 5.856 218 HZ2 LYS 27 HZ2 LYS 27 6.374 4.288 6.673 219 HZ3 LYS 27 HZ3 LYS 27 5.649 3.507 5.358 220 H THR 28 H THR 28 6.135 -2.798 8.881 221 HA THR 28 HA THR 28 8.556 -4.028 8.061 222 HB THR 28 HB THR 28 5.933 -5.225 7.309 223 HG1 THR 28 HG1 THR 28 6.762 -5.249 9.999 224 HG21 THR 28 HG21 THR 28 6.877 -7.246 7.893 225 HG22 THR 28 HG22 THR 28 8.067 -6.501 8.961 226 HG23 THR 28 HG23 THR 28 8.243 -6.363 7.211 227 H GLY 29 H GLY 29 5.788 -2.694 6.325 228 HA2 GLY 29 HA3 GLY 29 7.389 -2.833 3.855 229 HA3 GLY 29 HA2 GLY 29 5.720 -3.386 3.849 230 HA PRO 30 HA PRO 30 6.586 1.419 3.081 231 HB2 PRO 30 HB3 PRO 30 5.508 0.422 0.472 232 HB3 PRO 30 HB2 PRO 30 6.629 1.752 0.788 233 HG2 PRO 30 HG3 PRO 30 7.522 -0.603 -0.088 234 HG3 PRO 30 HG2 PRO 30 8.431 0.332 1.111 235 HD2 PRO 30 HD3 PRO 30 6.840 -2.147 1.457 236 HD3 PRO 30 HD2 PRO 30 8.238 -1.562 2.381 237 H ASN 31 H ASN 31 4.941 2.459 3.997 238 HA ASN 31 HA ASN 31 2.385 1.475 4.399 239 HB2 ASN 31 HB3 ASN 31 3.686 3.588 5.363 240 HB3 ASN 31 HB2 ASN 31 2.725 4.426 4.148 241 HD21 ASN 31 HD21 ASN 31 2.060 5.355 6.358 242 HD22 ASN 31 HD22 ASN 31 0.656 4.641 7.067 243 H LEU 32 H LEU 32 3.269 4.062 2.101 244 HA LEU 32 HA LEU 32 1.791 3.005 0.055 245 HB2 LEU 32 HB3 LEU 32 -0.106 4.514 -0.207 246 HB3 LEU 32 HB2 LEU 32 -0.136 3.554 1.261 247 HG LEU 32 HG LEU 32 -0.686 5.683 1.824 248 HD11 LEU 32 HD11 LEU 32 1.473 5.530 2.762 249 HD12 LEU 32 HD12 LEU 32 0.046 4.849 3.541 250 HD13 LEU 32 HD13 LEU 32 0.313 6.591 3.562 251 HD21 LEU 32 HD21 LEU 32 -0.518 7.664 1.059 252 HD22 LEU 32 HD22 LEU 32 0.153 6.588 -0.167 253 HD23 LEU 32 HD23 LEU 32 1.142 7.087 1.206 254 H HIS 33 H HIS 33 3.280 5.712 1.556 255 HA HIS 33 HA HIS 33 3.354 7.643 -0.393 256 HB2 HIS 33 HB3 HIS 33 4.675 7.179 2.024 257 HB3 HIS 33 HB2 HIS 33 5.965 7.358 0.841 258 HD1 HIS 33 HD1 HIS 33 6.614 9.622 1.984 259 HD2 HIS 33 HD2 HIS 33 2.824 9.548 0.281 260 HE1 HIS 33 HE1 HIS 33 5.883 12.026 1.865 261 HE2 HIS 33 HE2 HIS 33 3.554 11.948 0.911 262 H GLY 34 H GLY 34 4.089 7.728 -2.408 263 HA2 GLY 34 HA3 GLY 34 5.389 7.334 -4.268 264 HA3 GLY 34 HA2 GLY 34 6.559 6.548 -3.215 265 H LEU 35 H LEU 35 3.371 5.344 -2.997 266 HA LEU 35 HA LEU 35 4.088 2.747 -3.765 267 HB2 LEU 35 HB3 LEU 35 2.165 3.346 -2.306 268 HB3 LEU 35 HB2 LEU 35 1.319 3.949 -3.718 269 HG LEU 35 HG LEU 35 1.246 1.723 -4.681 270 HD11 LEU 35 HD11 LEU 35 2.409 -0.068 -3.947 271 HD12 LEU 35 HD12 LEU 35 2.286 0.408 -2.253 272 HD13 LEU 35 HD13 LEU 35 3.478 1.176 -3.300 273 HD21 LEU 35 HD21 LEU 35 0.268 2.080 -1.875 274 HD22 LEU 35 HD22 LEU 35 -0.023 0.573 -2.742 275 HD23 LEU 35 HD23 LEU 35 -0.641 2.093 -3.386 276 H PHE 36 H PHE 36 2.279 5.250 -5.523 277 HA PHE 36 HA PHE 36 2.630 3.678 -7.984 278 HB2 PHE 36 HB3 PHE 36 0.756 5.987 -7.910 279 HB3 PHE 36 HB2 PHE 36 0.621 4.458 -8.771 280 HD1 PHE 36 HD1 PHE 36 -0.420 2.556 -7.764 281 HD2 PHE 36 HD2 PHE 36 0.130 6.149 -5.550 282 HE1 PHE 36 HE1 PHE 36 -1.953 1.720 -6.032 283 HE2 PHE 36 HE2 PHE 36 -1.403 5.318 -3.815 284 HZ PHE 36 HZ PHE 36 -2.446 3.100 -4.054 285 H GLY 37 H GLY 37 4.373 5.775 -6.501 286 HA2 GLY 37 HA3 GLY 37 4.889 7.422 -8.900 287 HA3 GLY 37 HA2 GLY 37 5.019 8.070 -7.271 288 H ARG 38 H ARG 38 6.294 5.830 -6.078 289 HA ARG 38 HA ARG 38 8.990 6.273 -7.075 290 HB2 ARG 38 HB3 ARG 38 7.932 4.904 -4.599 291 HB3 ARG 38 HB2 ARG 38 9.641 5.003 -5.003 292 HG2 ARG 38 HG3 ARG 38 9.314 7.527 -5.069 293 HG3 ARG 38 HG2 ARG 38 7.765 7.226 -4.278 294 HD2 ARG 38 HD3 ARG 38 8.759 6.983 -2.306 295 HD3 ARG 38 HD2 ARG 38 9.845 5.756 -2.956 296 HE ARG 38 HE ARG 38 11.455 7.345 -2.708 297 HH11 ARG 38 HH11 ARG 38 8.522 8.911 -3.743 298 HH12 ARG 38 HH12 ARG 38 9.249 10.478 -3.869 299 HH21 ARG 38 HH21 ARG 38 12.423 9.404 -2.867 300 HH22 ARG 38 HH22 ARG 38 11.467 10.758 -3.370 301 H LYS 39 H LYS 39 10.500 4.323 -7.055 302 HA LYS 39 HA LYS 39 9.734 2.535 -9.023 303 HB2 LYS 39 HB3 LYS 39 12.082 2.999 -8.436 304 HB3 LYS 39 HB2 LYS 39 11.874 2.113 -6.931 305 HG2 LYS 39 HG3 LYS 39 12.836 1.062 -9.251 306 HG3 LYS 39 HG2 LYS 39 12.141 0.125 -7.928 307 HD2 LYS 39 HD3 LYS 39 11.160 -0.516 -10.068 308 HD3 LYS 39 HD2 LYS 39 9.950 0.222 -9.018 309 HE2 LYS 39 HE3 LYS 39 10.526 2.404 -10.230 310 HE3 LYS 39 HE2 LYS 39 11.298 1.374 -11.433 311 HZ1 LYS 39 HZ1 LYS 39 9.321 0.581 -12.157 312 HZ2 LYS 39 HZ2 LYS 39 8.768 2.076 -11.591 313 HZ3 LYS 39 HZ3 LYS 39 8.574 0.689 -10.642 314 H THR 40 H THR 40 10.866 0.924 -6.157 315 HA THR 40 HA THR 40 8.281 -0.010 -5.347 316 HB THR 40 HB THR 40 8.780 -2.278 -5.120 317 HG1 THR 40 HG1 THR 40 10.260 -3.473 -6.024 318 HG21 THR 40 HG21 THR 40 8.458 -2.036 -7.871 319 HG22 THR 40 HG22 THR 40 8.744 -2.873 -6.660 320 HG23 THR 40 HG23 THR 40 7.353 -2.891 -6.357 321 H GLY 41 H GLY 41 8.225 0.443 -3.553 322 HA2 GLY 41 HA3 GLY 41 8.732 0.489 -1.314 323 HA3 GLY 41 HA2 GLY 41 9.390 -1.117 -1.579 324 H GLN 42 H GLN 42 10.598 1.893 -2.981 325 HA GLN 42 HA GLN 42 13.164 1.372 -1.659 326 HB2 GLN 42 HB3 GLN 42 13.647 3.402 -3.438 327 HB3 GLN 42 HB2 GLN 42 13.894 1.690 -3.757 328 HG2 GLN 42 HG3 GLN 42 12.646 2.852 -5.536 329 HG3 GLN 42 HG2 GLN 42 11.751 1.516 -4.815 330 HE21 GLN 42 HE21 GLN 42 9.687 2.024 -4.817 331 HE22 GLN 42 HE22 GLN 42 9.008 3.532 -4.319 332 H ALA 43 H ALA 43 11.244 2.430 -0.000 333 HA ALA 43 HA ALA 43 11.042 5.187 0.189 334 HB1 ALA 43 HB1 ALA 43 11.167 4.362 2.820 335 HB2 ALA 43 HB2 ALA 43 10.631 2.921 1.956 336 HB3 ALA 43 HB3 ALA 43 9.721 4.425 1.814 337 HA PRO 44 HA PRO 44 14.897 6.684 1.725 338 HB2 PRO 44 HB3 PRO 44 14.283 8.366 3.718 339 HB3 PRO 44 HB2 PRO 44 13.769 8.678 2.056 340 HG2 PRO 44 HG3 PRO 44 12.204 7.541 4.340 341 HG3 PRO 44 HG2 PRO 44 11.709 8.741 3.133 342 HD2 PRO 44 HD3 PRO 44 11.065 6.074 3.005 343 HD3 PRO 44 HD2 PRO 44 11.171 7.139 1.589 344 H GLY 45 H GLY 45 14.014 7.261 4.943 345 HA2 GLY 45 HA3 GLY 45 16.047 5.542 5.956 346 HA3 GLY 45 HA2 GLY 45 14.917 6.485 6.914 347 H PHE 46 H PHE 46 13.212 4.635 4.743 348 HA PHE 46 HA PHE 46 12.310 2.856 6.828 349 HB2 PHE 46 HB3 PHE 46 10.689 3.859 5.289 350 HB3 PHE 46 HB2 PHE 46 11.480 3.071 3.928 351 HD1 PHE 46 HD1 PHE 46 9.694 2.373 7.102 352 HD2 PHE 46 HD2 PHE 46 10.841 0.937 3.265 353 HE1 PHE 46 HE1 PHE 46 8.248 0.406 7.410 354 HE2 PHE 46 HE2 PHE 46 9.398 -1.033 3.567 355 HZ PHE 46 HZ PHE 46 8.099 -1.301 5.640 356 H THR 47 H THR 47 12.749 0.728 7.051 357 HA THR 47 HA THR 47 14.927 -0.361 5.515 358 HB THR 47 HB THR 47 14.004 -0.722 8.096 359 HG1 THR 47 HG1 THR 47 15.702 -2.240 8.194 360 HG21 THR 47 HG21 THR 47 13.675 -3.193 8.236 361 HG22 THR 47 HG22 THR 47 13.390 -3.188 6.496 362 HG23 THR 47 HG23 THR 47 12.312 -2.293 7.570 363 H TYR 48 H TYR 48 14.385 -0.906 3.490 364 HA TYR 48 HA TYR 48 11.875 -2.058 2.777 365 HB2 TYR 48 HB3 TYR 48 13.797 -2.562 0.745 366 HB3 TYR 48 HB2 TYR 48 12.527 -1.345 0.762 367 HD1 TYR 48 HD1 TYR 48 15.971 -1.915 2.093 368 HD2 TYR 48 HD2 TYR 48 13.136 0.884 0.601 369 HE1 TYR 48 HE1 TYR 48 17.683 -0.152 2.167 370 HE2 TYR 48 HE2 TYR 48 14.840 2.655 0.670 371 HH TYR 48 HH TYR 48 17.954 2.152 2.158 372 H THR 49 H THR 49 11.598 -4.118 1.723 373 HA THR 49 HA THR 49 12.878 -6.253 3.180 374 HB THR 49 HB THR 49 11.273 -7.701 2.118 375 HG1 THR 49 HG1 THR 49 9.824 -6.657 0.522 376 HG21 THR 49 HG21 THR 49 9.366 -5.541 2.266 377 HG22 THR 49 HG22 THR 49 10.477 -5.535 3.636 378 HG23 THR 49 HG23 THR 49 9.531 -6.978 3.274 379 H ASP 50 H ASP 50 13.542 -8.257 1.809 380 HA ASP 50 HA ASP 50 15.804 -7.607 0.345 381 HB2 ASP 50 HB3 ASP 50 15.845 -9.807 1.038 382 HB3 ASP 50 HB2 ASP 50 14.151 -10.074 0.638 383 H ALA 51 H ALA 51 12.491 -8.102 -0.713 384 HA ALA 51 HA ALA 51 13.049 -8.080 -3.506 385 HB1 ALA 51 HB1 ALA 51 10.926 -8.717 -3.604 386 HB2 ALA 51 HB2 ALA 51 10.401 -7.156 -2.976 387 HB3 ALA 51 HB3 ALA 51 10.786 -8.470 -1.864 388 H ASN 52 H ASN 52 11.957 -5.596 -1.207 389 HA ASN 52 HA ASN 52 11.633 -3.514 -3.058 390 HB2 ASN 52 HB3 ASN 52 12.368 -3.398 -0.127 391 HB3 ASN 52 HB2 ASN 52 11.873 -2.007 -1.088 392 HD21 ASN 52 HD21 ASN 52 10.080 -4.108 -2.516 393 HD22 ASN 52 HD22 ASN 52 8.681 -4.157 -1.503 394 H LYS 53 H LYS 53 14.440 -4.489 -1.129 395 HA LYS 53 HA LYS 53 16.166 -2.421 -1.883 396 HB2 LYS 53 HB3 LYS 53 17.990 -4.105 -1.351 397 HB3 LYS 53 HB2 LYS 53 16.831 -3.789 -0.066 398 HG2 LYS 53 HG3 LYS 53 15.700 -5.846 -0.476 399 HG3 LYS 53 HG2 LYS 53 16.638 -6.129 -1.944 400 HD2 LYS 53 HD3 LYS 53 17.793 -7.457 -0.484 401 HD3 LYS 53 HD2 LYS 53 18.668 -5.942 -0.264 402 HE2 LYS 53 HE3 LYS 53 18.168 -5.983 1.896 403 HE3 LYS 53 HE2 LYS 53 16.454 -5.894 1.492 404 HZ1 LYS 53 HZ1 LYS 53 17.974 -8.107 2.468 405 HZ2 LYS 53 HZ2 LYS 53 17.118 -8.508 1.065 406 HZ3 LYS 53 HZ3 LYS 53 16.296 -7.894 2.411 407 H ASN 54 H ASN 54 15.188 -5.350 -3.496 408 HA ASN 54 HA ASN 54 17.217 -5.248 -5.523 409 HB2 ASN 54 HB3 ASN 54 14.588 -6.748 -5.470 410 HB3 ASN 54 HB2 ASN 54 15.893 -7.012 -6.621 411 HD21 ASN 54 HD21 ASN 54 17.262 -6.229 -3.737 412 HD22 ASN 54 HD22 ASN 54 17.545 -7.815 -3.112 413 H LYS 55 H LYS 55 14.289 -3.634 -4.939 414 HA LYS 55 HA LYS 55 13.247 -1.955 -6.079 415 HB2 LYS 55 HB3 LYS 55 15.533 -2.431 -7.980 416 HB3 LYS 55 HB2 LYS 55 14.258 -1.274 -8.335 417 HG2 LYS 55 HG3 LYS 55 15.077 0.244 -6.918 418 HG3 LYS 55 HG2 LYS 55 15.422 -0.961 -5.675 419 HD2 LYS 55 HD3 LYS 55 17.111 -0.166 -8.032 420 HD3 LYS 55 HD2 LYS 55 17.520 -0.098 -6.316 421 HE2 LYS 55 HE3 LYS 55 17.137 -2.682 -6.433 422 HE3 LYS 55 HE2 LYS 55 17.422 -2.445 -8.157 423 HZ1 LYS 55 HZ1 LYS 55 19.508 -2.911 -7.271 424 HZ2 LYS 55 HZ2 LYS 55 19.267 -1.944 -5.905 425 HZ3 LYS 55 HZ3 LYS 55 19.511 -1.225 -7.417 426 H GLY 56 H GLY 56 11.794 -4.012 -6.098 427 HA2 GLY 56 HA3 GLY 56 11.360 -5.525 -8.378 428 HA3 GLY 56 HA2 GLY 56 10.115 -5.103 -7.214 429 H ILE 57 H ILE 57 8.528 -3.741 -7.827 430 HA ILE 57 HA ILE 57 8.996 -1.942 -10.047 431 HB ILE 57 HB ILE 57 7.855 -4.361 -10.617 432 HG12 ILE 57 HG13 ILE 57 8.714 -3.244 -12.393 433 HG13 ILE 57 HG12 ILE 57 7.010 -2.904 -12.673 434 HG21 ILE 57 HG21 ILE 57 5.777 -4.006 -9.597 435 HG22 ILE 57 HG22 ILE 57 5.512 -3.650 -11.302 436 HG23 ILE 57 HG23 ILE 57 5.703 -2.333 -10.148 437 HD11 ILE 57 HD11 ILE 57 7.231 -0.721 -12.151 438 HD12 ILE 57 HD12 ILE 57 8.889 -1.025 -12.672 439 HD13 ILE 57 HD13 ILE 57 8.490 -1.023 -10.952 440 H THR 58 H THR 58 7.000 -0.571 -10.491 441 HA THR 58 HA THR 58 6.135 0.516 -7.978 442 HB THR 58 HB THR 58 6.560 1.511 -10.567 443 HG1 THR 58 HG1 THR 58 6.076 3.495 -9.522 444 HG21 THR 58 HG21 THR 58 4.200 0.971 -11.083 445 HG22 THR 58 HG22 THR 58 4.562 2.696 -11.135 446 HG23 THR 58 HG23 THR 58 3.710 2.016 -9.749 447 H TRP 59 H TRP 59 4.478 -0.250 -6.937 448 HA TRP 59 HA TRP 59 2.525 -1.973 -8.040 449 HB2 TRP 59 HB3 TRP 59 1.864 -0.548 -5.533 450 HB3 TRP 59 HB2 TRP 59 1.855 -2.274 -5.886 451 HD1 TRP 59 HD1 TRP 59 4.302 0.545 -4.915 452 HE1 TRP 59 HE1 TRP 59 6.361 -0.522 -3.801 453 HE3 TRP 59 HE3 TRP 59 3.146 -4.385 -5.620 454 HZ2 TRP 59 HZ2 TRP 59 7.362 -3.109 -3.285 455 HZ3 TRP 59 HZ3 TRP 59 4.709 -6.094 -4.785 456 HH2 TRP 59 HH2 TRP 59 6.773 -5.467 -3.642 457 H LYS 60 H LYS 60 1.101 -1.317 -9.494 458 HA LYS 60 HA LYS 60 -0.127 1.335 -9.219 459 HB2 LYS 60 HB3 LYS 60 0.188 1.454 -11.427 460 HB3 LYS 60 HB2 LYS 60 0.794 -0.195 -11.457 461 HG2 LYS 60 HG3 LYS 60 -0.945 -0.533 -12.829 462 HG3 LYS 60 HG2 LYS 60 -1.859 -0.663 -11.326 463 HD2 LYS 60 HD3 LYS 60 -2.976 1.242 -11.712 464 HD3 LYS 60 HD2 LYS 60 -1.525 2.086 -12.258 465 HE2 LYS 60 HE3 LYS 60 -2.190 0.142 -14.211 466 HE3 LYS 60 HE2 LYS 60 -3.662 1.023 -13.808 467 HZ1 LYS 60 HZ1 LYS 60 -1.748 1.853 -15.538 468 HZ2 LYS 60 HZ2 LYS 60 -1.380 2.730 -14.141 469 HZ3 LYS 60 HZ3 LYS 60 -2.920 2.843 -14.827 470 H GLU 61 H GLU 61 -2.485 1.371 -10.050 471 HA GLU 61 HA GLU 61 -4.056 -0.121 -8.269 472 HB2 GLU 61 HB3 GLU 61 -4.454 2.049 -9.946 473 HB3 GLU 61 HB2 GLU 61 -5.516 0.816 -10.611 474 HG2 GLU 61 HG3 GLU 61 -5.790 0.836 -7.777 475 HG3 GLU 61 HG2 GLU 61 -5.948 2.484 -8.383 476 H GLU 62 H GLU 62 -3.859 -0.391 -11.824 477 HA GLU 62 HA GLU 62 -5.444 -2.704 -12.018 478 HB2 GLU 62 HB3 GLU 62 -4.969 -2.672 -14.267 479 HB3 GLU 62 HB2 GLU 62 -4.606 -1.008 -13.836 480 HG2 GLU 62 HG3 GLU 62 -2.219 -1.627 -13.639 481 HG3 GLU 62 HG2 GLU 62 -2.629 -3.246 -14.203 482 H THR 63 H THR 63 -1.929 -2.297 -11.812 483 HA THR 63 HA THR 63 -1.257 -5.010 -12.157 484 HB THR 63 HB THR 63 0.118 -2.591 -11.698 485 HG1 THR 63 HG1 THR 63 1.433 -3.653 -12.919 486 HG21 THR 63 HG21 THR 63 1.628 -2.905 -10.000 487 HG22 THR 63 HG22 THR 63 1.334 -4.643 -9.914 488 HG23 THR 63 HG23 THR 63 0.142 -3.514 -9.274 489 H LEU 64 H LEU 64 -2.358 -3.185 -9.421 490 HA LEU 64 HA LEU 64 -1.592 -5.058 -7.415 491 HB2 LEU 64 HB3 LEU 64 -3.062 -2.543 -7.571 492 HB3 LEU 64 HB2 LEU 64 -3.752 -3.654 -6.402 493 HG LEU 64 HG LEU 64 -0.908 -2.644 -6.434 494 HD11 LEU 64 HD11 LEU 64 -1.991 -0.882 -5.512 495 HD12 LEU 64 HD12 LEU 64 -1.892 -1.894 -4.070 496 HD13 LEU 64 HD13 LEU 64 -3.378 -1.852 -5.016 497 HD21 LEU 64 HD21 LEU 64 -0.594 -3.869 -4.385 498 HD22 LEU 64 HD22 LEU 64 -1.106 -4.984 -5.652 499 HD23 LEU 64 HD23 LEU 64 -2.260 -4.448 -4.432 500 H MET 65 H MET 65 -4.423 -4.572 -9.428 501 HA MET 65 HA MET 65 -6.215 -6.259 -8.085 502 HB2 MET 65 HB3 MET 65 -5.972 -5.482 -10.989 503 HB3 MET 65 HB2 MET 65 -7.277 -6.497 -10.393 504 HG2 MET 65 HG3 MET 65 -6.681 -3.644 -9.668 505 HG3 MET 65 HG2 MET 65 -8.097 -4.279 -10.508 506 HE1 MET 65 HE1 MET 65 -6.583 -3.147 -7.326 507 HE2 MET 65 HE2 MET 65 -6.127 -4.825 -7.032 508 HE3 MET 65 HE3 MET 65 -7.356 -4.053 -6.027 509 H GLU 66 H GLU 66 -3.825 -6.929 -10.605 510 HA GLU 66 HA GLU 66 -4.473 -9.730 -10.725 511 HB2 GLU 66 HB3 GLU 66 -2.252 -9.775 -12.048 512 HB3 GLU 66 HB2 GLU 66 -3.620 -8.916 -12.742 513 HG2 GLU 66 HG3 GLU 66 -2.709 -6.801 -12.026 514 HG3 GLU 66 HG2 GLU 66 -1.380 -7.622 -11.204 515 H TYR 67 H TYR 67 -2.059 -7.713 -9.166 516 HA TYR 67 HA TYR 67 -0.341 -9.735 -8.249 517 HB2 TYR 67 HB3 TYR 67 0.652 -7.699 -7.963 518 HB3 TYR 67 HB2 TYR 67 -0.863 -6.899 -7.564 519 HD1 TYR 67 HD1 TYR 67 2.056 -8.620 -6.253 520 HD2 TYR 67 HD2 TYR 67 -1.747 -6.990 -5.262 521 HE1 TYR 67 HE1 TYR 67 2.664 -8.663 -3.871 522 HE2 TYR 67 HE2 TYR 67 -1.149 -7.026 -2.876 523 HH TYR 67 HH TYR 67 0.689 -7.150 -1.441 524 H LEU 68 H LEU 68 -3.465 -8.725 -7.206 525 HA LEU 68 HA LEU 68 -3.406 -9.562 -4.527 526 HB2 LEU 68 HB3 LEU 68 -5.600 -9.236 -6.546 527 HB3 LEU 68 HB2 LEU 68 -5.943 -9.891 -4.957 528 HG LEU 68 HG LEU 68 -4.665 -7.198 -5.427 529 HD11 LEU 68 HD11 LEU 68 -6.787 -6.203 -5.021 530 HD12 LEU 68 HD12 LEU 68 -7.520 -7.766 -4.655 531 HD13 LEU 68 HD13 LEU 68 -7.004 -7.396 -6.301 532 HD21 LEU 68 HD21 LEU 68 -4.124 -8.150 -3.269 533 HD22 LEU 68 HD22 LEU 68 -5.493 -7.265 -2.637 534 HD23 LEU 68 HD23 LEU 68 -5.271 -6.827 -3.069 535 H GLU 69 H GLU 69 -3.301 -11.350 -7.413 536 HA GLU 69 HA GLU 69 -4.628 -13.709 -6.684 537 HB2 GLU 69 HB3 GLU 69 -3.269 -12.824 -8.905 538 HB3 GLU 69 HB2 GLU 69 -2.220 -14.104 -8.309 539 HG2 GLU 69 HG3 GLU 69 -4.074 -15.674 -8.371 540 HG3 GLU 69 HG2 GLU 69 -5.152 -14.394 -8.924 541 H ASN 70 H ASN 70 -1.105 -13.611 -7.033 542 HA ASN 70 HA ASN 70 -0.898 -15.133 -4.517 543 HB2 ASN 70 HB3 ASN 70 0.486 -15.460 -7.153 544 HB3 ASN 70 HB2 ASN 70 1.323 -15.934 -5.677 545 HD21 ASN 70 HD21 ASN 70 -1.036 -16.759 -7.982 546 HD22 ASN 70 HD22 ASN 70 -1.559 -18.241 -7.265 547 HA PRO 71 HA PRO 71 1.143 -11.138 -3.544 548 HB2 PRO 71 HB3 PRO 71 1.148 -12.591 -0.939 549 HB3 PRO 71 HB2 PRO 71 0.719 -10.912 -1.291 550 HG2 PRO 71 HG3 PRO 71 -1.173 -12.722 -0.818 551 HG3 PRO 71 HG2 PRO 71 -1.396 -11.471 -2.055 552 HD2 PRO 71 HD3 PRO 71 -0.771 -14.370 -2.377 553 HD3 PRO 71 HD2 PRO 71 -1.758 -13.306 -3.401 554 H LYS 72 H LYS 72 2.082 -14.441 -2.756 555 HA LYS 72 HA LYS 72 4.805 -13.734 -2.150 556 HB2 LYS 72 HB3 LYS 72 4.804 -15.745 -1.186 557 HB3 LYS 72 HB2 LYS 72 3.150 -15.976 -1.735 558 HG2 LYS 72 HG3 LYS 72 4.140 -17.825 -2.625 559 HG3 LYS 72 HG2 LYS 72 4.331 -16.696 -3.967 560 HD2 LYS 72 HD3 LYS 72 6.537 -16.402 -2.174 561 HD3 LYS 72 HD2 LYS 72 6.342 -18.110 -2.576 562 HE2 LYS 72 HE3 LYS 72 5.994 -16.680 -4.973 563 HE3 LYS 72 HE2 LYS 72 7.400 -15.977 -4.174 564 HZ1 LYS 72 HZ1 LYS 72 8.377 -18.170 -4.012 565 HZ2 LYS 72 HZ2 LYS 72 8.000 -17.826 -5.625 566 HZ3 LYS 72 HZ3 LYS 72 7.014 -18.869 -4.731 567 H LYS 73 H LYS 73 2.994 -14.577 -4.958 568 HA LYS 73 HA LYS 73 5.145 -15.529 -6.556 569 HB2 LYS 73 HB3 LYS 73 3.622 -15.637 -8.291 570 HB3 LYS 73 HB2 LYS 73 2.557 -15.728 -6.895 571 HG2 LYS 73 HG3 LYS 73 1.427 -14.138 -8.012 572 HG3 LYS 73 HG2 LYS 73 2.606 -13.068 -7.250 573 HD2 LYS 73 HD3 LYS 73 2.217 -12.815 -9.772 574 HD3 LYS 73 HD2 LYS 73 3.886 -12.899 -9.202 575 HE2 LYS 73 HE3 LYS 73 3.345 -14.291 -11.236 576 HE3 LYS 73 HE2 LYS 73 4.111 -15.147 -9.898 577 HZ1 LYS 73 HZ1 LYS 73 1.777 -15.777 -9.214 578 HZ2 LYS 73 HZ2 LYS 73 2.370 -16.516 -10.617 579 HZ3 LYS 73 HZ3 LYS 73 1.273 -15.231 -10.735 580 H TYR 74 H TYR 74 3.886 -12.364 -5.797 581 HA TYR 74 HA TYR 74 5.374 -11.040 -7.885 582 HB2 TYR 74 HB3 TYR 74 3.448 -10.242 -5.785 583 HB3 TYR 74 HB2 TYR 74 4.636 -9.023 -6.236 584 HD1 TYR 74 HD1 TYR 74 2.123 -11.340 -7.720 585 HD2 TYR 74 HD2 TYR 74 4.271 -7.690 -8.109 586 HE1 TYR 74 HE1 TYR 74 0.772 -10.762 -9.691 587 HE2 TYR 74 HE2 TYR 74 2.924 -7.101 -10.080 588 HH TYR 74 HH TYR 74 0.673 -9.371 -11.513 589 H ILE 75 H ILE 75 5.616 -11.390 -4.364 590 HA ILE 75 HA ILE 75 8.443 -10.608 -4.568 591 HB ILE 75 HB ILE 75 6.441 -9.621 -2.546 592 HG12 ILE 75 HG13 ILE 75 6.498 -8.111 -4.324 593 HG13 ILE 75 HG12 ILE 75 7.682 -7.432 -3.210 594 HG21 ILE 75 HG21 ILE 75 8.464 -8.555 -1.450 595 HG22 ILE 75 HG22 ILE 75 9.440 -9.698 -2.372 596 HG23 ILE 75 HG23 ILE 75 8.258 -10.288 -1.204 597 HD11 ILE 75 HD11 ILE 75 8.985 -7.338 -5.018 598 HD12 ILE 75 HD12 ILE 75 8.031 -8.537 -5.893 599 HD13 ILE 75 HD13 ILE 75 9.242 -9.057 -4.719 600 HA PRO 76 HA PRO 76 7.957 -14.788 -2.581 601 HB2 PRO 76 HB3 PRO 76 10.654 -15.006 -3.797 602 HB3 PRO 76 HB2 PRO 76 9.302 -16.143 -3.847 603 HG2 PRO 76 HG3 PRO 76 9.954 -14.692 -5.990 604 HG3 PRO 76 HG2 PRO 76 8.260 -15.029 -5.592 605 HD2 PRO 76 HD3 PRO 76 9.842 -12.525 -5.185 606 HD3 PRO 76 HD2 PRO 76 8.149 -12.721 -5.685 607 H GLY 77 H GLY 77 8.613 -15.198 -0.558 608 HA2 GLY 77 HA3 GLY 77 10.369 -15.403 1.081 609 HA3 GLY 77 HA2 GLY 77 11.135 -13.992 0.370 610 H THR 78 H THR 78 8.266 -12.826 0.257 611 HA THR 78 HA THR 78 8.374 -11.740 2.979 612 HB THR 78 HB THR 78 8.179 -10.474 0.545 613 HG1 THR 78 HG1 THR 78 7.214 -9.448 3.003 614 HG21 THR 78 HG21 THR 78 5.741 -11.265 0.522 615 HG22 THR 78 HG22 THR 78 6.075 -9.561 0.214 616 HG23 THR 78 HG23 THR 78 5.495 -10.074 1.799 617 H LYS 79 H LYS 79 6.866 -12.199 4.436 618 HA LYS 79 HA LYS 79 4.454 -13.622 3.537 619 HB2 LYS 79 HB3 LYS 79 6.183 -14.625 5.222 620 HB3 LYS 79 HB2 LYS 79 5.384 -13.576 6.386 621 HG2 LYS 79 HG3 LYS 79 4.602 -16.030 6.113 622 HG3 LYS 79 HG2 LYS 79 3.406 -14.745 6.293 623 HD2 LYS 79 HD3 LYS 79 2.862 -16.379 4.495 624 HD3 LYS 79 HD2 LYS 79 3.001 -14.712 3.925 625 HE2 LYS 79 HE3 LYS 79 4.101 -16.370 2.438 626 HE3 LYS 79 HE2 LYS 79 5.196 -15.131 3.051 627 HZ1 LYS 79 HZ1 LYS 79 6.105 -17.422 3.117 628 HZ2 LYS 79 HZ2 LYS 79 4.919 -17.832 4.250 629 HZ3 LYS 79 HZ3 LYS 79 6.080 -16.661 4.629 630 H MET 80 H MET 80 2.438 -12.924 4.115 631 HA MET 80 HA MET 80 2.317 -10.271 5.376 632 HB2 MET 80 HB3 MET 80 0.623 -11.672 3.347 633 HB3 MET 80 HB2 MET 80 -0.109 -10.435 4.361 634 HG2 MET 80 HG3 MET 80 2.404 -9.907 2.821 635 HG3 MET 80 HG2 MET 80 0.813 -9.747 2.080 636 HE1 MET 80 HE1 MET 80 -0.476 -8.146 2.024 637 HE2 MET 80 HE2 MET 80 0.081 -6.496 2.304 638 HE3 MET 80 HE3 MET 80 -1.024 -7.260 3.447 639 H ILE 81 H ILE 81 2.007 -10.459 7.353 640 HA ILE 81 HA ILE 81 0.365 -12.503 8.685 641 HB ILE 81 HB ILE 81 2.454 -10.660 9.850 642 HG12 ILE 81 HG13 ILE 81 3.371 -13.121 10.360 643 HG13 ILE 81 HG12 ILE 81 2.458 -13.480 8.898 644 HG21 ILE 81 HG21 ILE 81 1.430 -12.930 11.421 645 HG22 ILE 81 HG22 ILE 81 0.307 -11.590 11.187 646 HG23 ILE 81 HG23 ILE 81 1.879 -11.303 11.932 647 HD11 ILE 81 HD11 ILE 81 4.510 -13.012 8.022 648 HD12 ILE 81 HD12 ILE 81 4.887 -11.811 9.259 649 HD13 ILE 81 HD13 ILE 81 3.764 -11.414 7.957 650 H PHE 82 H PHE 82 -1.498 -11.955 9.631 651 HA PHE 82 HA PHE 82 -3.049 -10.660 10.753 652 HB2 PHE 82 HB3 PHE 82 -0.964 -9.182 11.320 653 HB3 PHE 82 HB2 PHE 82 -1.590 -8.135 10.052 654 HD1 PHE 82 HD1 PHE 82 -2.207 -9.520 13.387 655 HD2 PHE 82 HD2 PHE 82 -3.606 -6.870 10.365 656 HE1 PHE 82 HE1 PHE 82 -3.760 -8.505 15.002 657 HE2 PHE 82 HE2 PHE 82 -5.162 -5.849 11.975 658 HZ PHE 82 HZ PHE 82 -5.240 -6.666 14.297 659 H ALA 83 H ALA 83 -4.715 -9.013 10.140 660 HA ALA 83 HA ALA 83 -5.245 -7.561 8.067 661 HB1 ALA 83 HB1 ALA 83 -5.959 -9.339 6.238 662 HB2 ALA 83 HB2 ALA 83 -4.671 -10.271 6.998 663 HB3 ALA 83 HB3 ALA 83 -4.323 -8.685 6.312 664 H GLY 84 H GLY 84 -6.948 -7.144 9.504 665 HA2 GLY 84 HA3 GLY 84 -8.964 -9.142 10.009 666 HA3 GLY 84 HA2 GLY 84 -9.007 -7.462 10.524 667 H ILE 85 H ILE 85 -8.347 -7.888 7.220 668 HA ILE 85 HA ILE 85 -11.180 -7.542 6.511 669 HB ILE 85 HB ILE 85 -8.888 -5.907 5.423 670 HG12 ILE 85 HG13 ILE 85 -10.426 -5.515 7.711 671 HG13 ILE 85 HG12 ILE 85 -9.453 -4.302 6.886 672 HG21 ILE 85 HG21 ILE 85 -11.810 -5.855 4.682 673 HG22 ILE 85 HG22 ILE 85 -10.502 -6.490 3.683 674 HG23 ILE 85 HG23 ILE 85 -10.563 -4.769 4.067 675 HD11 ILE 85 HD11 ILE 85 -11.578 -3.993 5.423 676 HD12 ILE 85 HD12 ILE 85 -11.491 -3.262 7.026 677 HD13 ILE 85 HD13 ILE 85 -12.392 -4.759 6.786 678 H LYS 86 H LYS 86 -11.797 -8.337 4.499 679 HA LYS 86 HA LYS 86 -9.807 -9.571 2.784 680 HB2 LYS 86 HB3 LYS 86 -11.412 -11.682 2.832 681 HB3 LYS 86 HB2 LYS 86 -10.071 -11.518 3.957 682 HG2 LYS 86 HG3 LYS 86 -12.346 -10.236 5.082 683 HG3 LYS 86 HG2 LYS 86 -12.818 -11.843 4.529 684 HD2 LYS 86 HD3 LYS 86 -11.352 -12.910 5.957 685 HD3 LYS 86 HD2 LYS 86 -10.284 -11.511 6.073 686 HE2 LYS 86 HE3 LYS 86 -12.391 -10.416 7.205 687 HE3 LYS 86 HE2 LYS 86 -12.822 -12.097 7.521 688 HZ1 LYS 86 HZ1 LYS 86 -10.148 -11.051 8.214 689 HZ2 LYS 86 HZ2 LYS 86 -10.943 -12.412 8.828 690 HZ3 LYS 86 HZ3 LYS 86 -11.459 -10.860 9.268 691 H LYS 87 H LYS 87 -13.197 -8.906 3.454 692 HA LYS 87 HA LYS 87 -14.529 -9.491 1.216 693 HB2 LYS 87 HB3 LYS 87 -14.852 -7.631 3.288 694 HB3 LYS 87 HB2 LYS 87 -15.044 -6.710 1.802 695 HG2 LYS 87 HG3 LYS 87 -17.131 -7.435 1.684 696 HG3 LYS 87 HG2 LYS 87 -16.512 -9.070 1.442 697 HD2 LYS 87 HD3 LYS 87 -16.345 -9.219 3.974 698 HD3 LYS 87 HD2 LYS 87 -17.310 -7.742 4.021 699 HE2 LYS 87 HE3 LYS 87 -18.628 -9.854 4.251 700 HE3 LYS 87 HE2 LYS 87 -19.137 -8.810 2.923 701 HZ1 LYS 87 HZ1 LYS 87 -18.847 -11.335 2.531 702 HZ2 LYS 87 HZ2 LYS 87 -17.200 -10.964 2.417 703 HZ3 LYS 87 HZ3 LYS 87 -18.304 -10.247 1.356 704 H LYS 88 H LYS 88 -14.055 -9.336 -0.870 705 HA LYS 88 HA LYS 88 -12.008 -7.902 -2.015 706 HB2 LYS 88 HB3 LYS 88 -13.164 -9.695 -3.188 707 HB3 LYS 88 HB2 LYS 88 -14.629 -8.725 -3.275 708 HG2 LYS 88 HG3 LYS 88 -13.638 -7.206 -4.800 709 HG3 LYS 88 HG2 LYS 88 -12.032 -7.893 -4.540 710 HD2 LYS 88 HD3 LYS 88 -14.242 -8.830 -6.244 711 HD3 LYS 88 HD2 LYS 88 -12.500 -9.020 -6.439 712 HE2 LYS 88 HE3 LYS 88 -13.457 -11.187 -6.090 713 HE3 LYS 88 HE2 LYS 88 -12.553 -10.742 -4.643 714 HZ1 LYS 88 HZ1 LYS 88 -15.192 -11.539 -4.784 715 HZ2 LYS 88 HZ2 LYS 88 -15.243 -9.884 -4.434 716 HZ3 LYS 88 HZ3 LYS 88 -14.379 -10.933 -3.429 717 H THR 89 H THR 89 -15.331 -6.894 -1.439 718 HA THR 89 HA THR 89 -15.174 -4.454 -2.878 719 HB THR 89 HB THR 89 -17.312 -4.028 -2.110 720 HG1 THR 89 HG1 THR 89 -17.204 -3.828 0.014 721 HG21 THR 89 HG21 THR 89 -17.185 -6.966 -1.502 722 HG22 THR 89 HG22 THR 89 -17.236 -6.300 -3.136 723 HG23 THR 89 HG23 THR 89 -18.582 -6.028 -2.029 724 H GLU 90 H GLU 90 -14.326 -5.409 0.364 725 HA GLU 90 HA GLU 90 -14.098 -2.754 1.409 726 HB2 GLU 90 HB3 GLU 90 -12.848 -5.306 2.442 727 HB3 GLU 90 HB2 GLU 90 -13.052 -3.808 3.339 728 HG2 GLU 90 HG3 GLU 90 -15.512 -4.965 2.212 729 HG3 GLU 90 HG2 GLU 90 -14.734 -5.900 3.489 730 H ARG 91 H ARG 91 -11.815 -5.187 0.241 731 HA ARG 91 HA ARG 91 -9.460 -3.702 0.625 732 HB2 ARG 91 HB3 ARG 91 -9.977 -5.926 -1.291 733 HB3 ARG 91 HB2 ARG 91 -8.437 -5.084 -1.171 734 HG2 ARG 91 HG3 ARG 91 -8.869 -5.695 1.423 735 HG3 ARG 91 HG2 ARG 91 -9.664 -7.065 0.622 736 HD2 ARG 91 HD3 ARG 91 -7.026 -6.872 -0.669 737 HD3 ARG 91 HD2 ARG 91 -6.918 -6.593 1.067 738 HE ARG 91 HE ARG 91 -8.238 -8.716 1.114 739 HH11 ARG 91 HH11 ARG 91 -5.858 -7.777 -1.248 740 HH12 ARG 91 HH12 ARG 91 -5.318 -9.327 -1.519 741 HH21 ARG 91 HH21 ARG 91 -7.555 -10.857 0.719 742 HH22 ARG 91 HH22 ARG 91 -6.298 -11.159 -0.419 743 H GLU 92 H GLU 92 -11.462 -4.134 -2.283 744 HA GLU 92 HA GLU 92 -9.984 -2.475 -3.976 745 HB2 GLU 92 HB3 GLU 92 -11.833 -4.073 -4.625 746 HB3 GLU 92 HB2 GLU 92 -12.977 -2.850 -4.087 747 HG2 GLU 92 HG3 GLU 92 -12.732 -2.722 -6.467 748 HG3 GLU 92 HG2 GLU 92 -12.029 -1.281 -5.732 749 H ASP 93 H ASP 93 -12.602 -1.734 -1.724 750 HA ASP 93 HA ASP 93 -13.062 0.920 -2.473 751 HB2 ASP 93 HB3 ASP 93 -14.626 -0.069 -0.995 752 HB3 ASP 93 HB2 ASP 93 -13.372 -0.528 0.151 753 H GLY 94 H GLY 94 -10.820 -0.428 -0.066 754 HA2 GLY 94 HA3 GLY 94 -9.770 1.997 0.861 755 HA3 GLY 94 HA2 GLY 94 -8.934 0.452 0.899 756 H ILE 95 H ILE 95 -8.944 0.043 -1.944 757 HA ILE 95 HA ILE 95 -6.541 1.308 -2.630 758 HB ILE 95 HB ILE 95 -8.515 -0.387 -4.037 759 HG12 ILE 95 HG13 ILE 95 -5.518 -0.363 -3.696 760 HG13 ILE 95 HG12 ILE 95 -6.678 -1.424 -2.901 761 HG21 ILE 95 HG21 ILE 95 -8.371 0.673 -5.989 762 HG22 ILE 95 HG22 ILE 95 -6.686 0.159 -6.036 763 HG23 ILE 95 HG23 ILE 95 -7.105 1.749 -5.398 764 HD11 ILE 95 HD11 ILE 95 -6.347 -1.407 -5.874 765 HD12 ILE 95 HD12 ILE 95 -7.058 -2.648 -4.842 766 HD13 ILE 95 HD13 ILE 95 -5.316 -2.375 -4.818 767 H ALA 96 H ALA 96 -9.903 2.096 -3.405 768 HA ALA 96 HA ALA 96 -9.451 4.085 -5.313 769 HB1 ALA 96 HB1 ALA 96 -11.676 3.232 -4.892 770 HB2 ALA 96 HB2 ALA 96 -11.661 4.978 -4.639 771 HB3 ALA 96 HB3 ALA 96 -11.650 3.885 -3.253 772 H TYR 97 H TYR 97 -9.720 4.317 -1.783 773 HA TYR 97 HA TYR 97 -9.303 7.087 -1.574 774 HB2 TYR 97 HB3 TYR 97 -10.127 5.963 0.351 775 HB3 TYR 97 HB2 TYR 97 -8.806 4.801 0.333 776 HD1 TYR 97 HD1 TYR 97 -7.866 5.097 2.465 777 HD2 TYR 97 HD2 TYR 97 -8.572 8.496 0.005 778 HE1 TYR 97 HE1 TYR 97 -6.614 6.497 4.052 779 HE2 TYR 97 HE2 TYR 97 -7.322 9.905 1.585 780 HH TYR 97 HH TYR 97 -5.512 8.547 4.227 781 H LEU 98 H LEU 98 -7.108 4.359 -1.766 782 HA LEU 98 HA LEU 98 -4.707 5.701 -1.175 783 HB2 LEU 98 HB3 LEU 98 -5.476 3.109 -1.842 784 HB3 LEU 98 HB2 LEU 98 -4.416 3.590 -3.151 785 HG LEU 98 HG LEU 98 -3.639 3.787 -0.245 786 HD11 LEU 98 HD11 LEU 98 -2.166 1.746 -1.346 787 HD12 LEU 98 HD12 LEU 98 -3.776 1.476 -2.016 788 HD13 LEU 98 HD13 LEU 98 -3.550 1.556 -0.269 789 HD21 LEU 98 HD21 LEU 98 -2.136 4.012 -2.843 790 HD22 LEU 98 HD22 LEU 98 -1.345 3.793 -1.282 791 HD23 LEU 98 HD23 LEU 98 -2.318 5.232 -1.583 792 H LYS 99 H LYS 99 -6.553 5.331 -4.137 793 HA LYS 99 HA LYS 99 -4.642 6.187 -5.984 794 HB2 LYS 99 HB3 LYS 99 -7.596 6.781 -6.161 795 HB3 LYS 99 HB2 LYS 99 -6.460 6.580 -7.487 796 HG2 LYS 99 HG3 LYS 99 -7.407 4.438 -5.596 797 HG3 LYS 99 HG2 LYS 99 -7.858 4.629 -7.292 798 HD2 LYS 99 HD3 LYS 99 -6.123 2.874 -6.581 799 HD3 LYS 99 HD2 LYS 99 -5.232 4.523 -7.620 800 HE2 LYS 99 HE3 LYS 99 -4.039 3.791 -5.895 801 HE3 LYS 99 HE2 LYS 99 -5.477 3.939 -4.885 802 HZ1 LYS 99 HZ1 LYS 99 -4.136 1.611 -5.623 803 HZ2 LYS 99 HZ2 LYS 99 -5.649 1.566 -6.374 804 HZ3 LYS 99 HZ3 LYS 99 -5.545 1.750 -4.697 805 H LYS 100 H LYS 100 -6.980 8.047 -4.069 806 HA LYS 100 HA LYS 100 -6.139 10.561 -5.171 807 HB2 LYS 100 HB3 LYS 100 -8.199 11.011 -4.399 808 HB3 LYS 100 HB2 LYS 100 -8.186 9.606 -3.345 809 HG2 LYS 100 HG3 LYS 100 -6.862 10.908 -1.703 810 HG3 LYS 100 HG2 LYS 100 -7.042 12.323 -2.743 811 HD2 LYS 100 HD3 LYS 100 -9.210 10.788 -1.321 812 HD3 LYS 100 HD2 LYS 100 -8.721 12.463 -1.058 813 HE2 LYS 100 HE3 LYS 100 -9.794 11.497 -3.693 814 HE3 LYS 100 HE2 LYS 100 -10.847 12.075 -2.403 815 HZ1 LYS 100 HZ1 LYS 100 -9.410 13.578 -4.283 816 HZ2 LYS 100 HZ2 LYS 100 -8.807 13.946 -2.746 817 HZ3 LYS 100 HZ3 LYS 100 -10.456 14.131 -3.074 818 H ALA 101 H ALA 101 -5.490 8.683 -2.309 819 HA ALA 101 HA ALA 101 -4.115 10.522 -0.741 820 HB1 ALA 101 HB1 ALA 101 -3.340 7.634 -0.796 821 HB2 ALA 101 HB2 ALA 101 -4.926 8.126 -0.200 822 HB3 ALA 101 HB3 ALA 101 -3.462 8.732 0.579 823 H THR 102 H THR 102 -3.127 8.773 -3.553 824 HA THR 102 HA THR 102 -0.353 9.659 -3.164 825 HB THR 102 HB THR 102 -0.284 7.392 -3.772 826 HG1 THR 102 HG1 THR 102 0.852 7.547 -5.536 827 HG21 THR 102 HG21 THR 102 -2.777 7.957 -5.161 828 HG22 THR 102 HG22 THR 102 -2.191 6.462 -4.434 829 HG23 THR 102 HG23 THR 102 -1.687 6.908 -6.065 830 H ASN 103 H ASN 103 -3.282 10.148 -4.813 831 HA ASN 103 HA ASN 103 -2.281 12.565 -5.979 832 HB2 ASN 103 HB3 ASN 103 -3.663 10.869 -7.992 833 HB3 ASN 103 HB2 ASN 103 -2.424 12.098 -8.219 834 HD21 ASN 103 HD21 ASN 103 -3.014 8.785 -7.245 835 HD22 ASN 103 HD22 ASN 103 -1.415 8.209 -7.554 836 H GLU 104 H GLU 104 -3.768 13.882 -5.218 837 HA GLU 104 HA GLU 104 -6.194 14.423 -6.105 838 HB2 GLU 104 HB3 GLU 104 -6.360 12.043 -4.328 839 HB3 GLU 104 HB2 GLU 104 -7.646 13.234 -4.229 840 HG2 GLU 104 HG3 GLU 104 -6.982 12.493 -6.964 841 HG3 GLU 104 HG2 GLU 104 -7.531 11.134 -5.984 842 HHA HEC 201 HHA HEC 201 5.199 -5.126 0.497 843 HHB HEC 201 HHB HEC 201 -0.376 -2.408 0.352 844 HHC HEC 201 HHC HEC 201 -1.999 -6.061 5.238 845 HHD HEC 201 HHD HEC 201 4.135 -5.826 6.813 846 HMA1 HEC 201 HMA1 HEC 201 0.965 -1.115 -1.220 847 HMA2 HEC 201 HMA2 HEC 201 2.574 -0.284 -0.711 848 HMA3 HEC 201 HMA3 HEC 201 2.375 -1.550 -1.532 849 HAA1 HEC 201 HAA1 HEC 201 5.040 -2.996 -1.407 850 HAA2 HEC 201 HAA2 HEC 201 5.636 -2.364 0.135 851 HBA1 HEC 201 HBA1 HEC 201 4.168 -0.318 -0.268 852 HBA2 HEC 201 HBA2 HEC 201 3.895 -0.945 -1.906 853 HMB1 HEC 201 HMB1 HEC 201 -3.545 -1.889 2.061 854 HMB2 HEC 201 HMB2 HEC 201 -3.637 -3.171 0.836 855 HMB3 HEC 201 HMB3 HEC 201 -2.368 -1.922 0.724 856 HAB HEC 201 HAB HEC 201 -3.846 -3.220 4.566 857 HBB1 HEC 201 HBB1 HEC 201 -5.300 -5.184 2.780 858 HBB2 HEC 201 HBB2 HEC 201 -4.652 -3.690 2.069 859 HBB3 HEC 201 HBB3 HEC 201 -5.766 -3.604 3.463 860 HMC1 HEC 201 HMC1 HEC 201 -0.855 -7.529 8.571 861 HMC2 HEC 201 HMC2 HEC 201 -1.850 -7.663 6.980 862 HMC3 HEC 201 HMC3 HEC 201 -0.503 -8.289 7.316 863 HAC HEC 201 HAC HEC 201 3.070 -6.830 8.307 864 HBC1 HEC 201 HBC1 HEC 201 3.343 -9.218 7.750 865 HBC2 HEC 201 HBC2 HEC 201 1.691 -9.527 8.322 866 HBC3 HEC 201 HBC3 HEC 201 2.944 -8.977 9.469 867 HMD1 HEC 201 HMD1 HEC 201 6.056 -7.031 6.403 868 HMD2 HEC 201 HMD2 HEC 201 7.203 -5.738 5.998 869 HMD3 HEC 201 HMD3 HEC 201 7.292 -7.307 5.148 870 HAD1 HEC 201 HAD1 HEC 201 7.991 -6.319 3.168 871 HAD2 HEC 201 HAD2 HEC 201 7.586 -4.893 2.198 872 HBD1 HEC 201 HBD1 HEC 201 7.886 -7.558 1.311 873 HBD2 HEC 201 HBD2 HEC 201 7.347 -6.154 0.370 Start of MODEL 2 1 H1 GLY 1 1H GLY 1 -19.439 4.077 -0.429 2 H2 GLY 1 2H GLY 1 -18.832 3.550 -1.916 3 H3 GLY 1 3H GLY 1 -19.002 5.205 -1.613 4 HA2 GLY 1 HA2 GLY 1 -17.367 3.836 0.323 5 HA3 GLY 1 HA3 GLY 1 -16.717 3.796 -1.308 6 H ASP 2 H ASP 2 -16.595 5.348 1.542 7 HA ASP 2 HA ASP 2 -16.015 7.903 0.193 8 HB2 ASP 2 HB3 ASP 2 -16.624 7.591 3.166 9 HB3 ASP 2 HB2 ASP 2 -16.664 9.069 2.148 10 H VAL 3 H VAL 3 -14.245 9.171 1.063 11 HA VAL 3 HA VAL 3 -11.888 7.672 1.381 12 HB VAL 3 HB VAL 3 -12.579 10.557 1.514 13 HG11 VAL 3 HG11 VAL 3 -11.249 10.629 3.414 14 HG12 VAL 3 HG12 VAL 3 -10.095 10.947 2.118 15 HG13 VAL 3 HG13 VAL 3 -10.188 9.341 2.842 16 HG21 VAL 3 HG21 VAL 3 -11.827 10.278 -0.569 17 HG22 VAL 3 HG22 VAL 3 -11.103 8.716 -0.185 18 HG23 VAL 3 HG23 VAL 3 -10.214 10.204 0.141 19 H GLU 4 H GLU 4 -13.921 9.386 3.717 20 HA GLU 4 HA GLU 4 -12.284 9.100 5.999 21 HB2 GLU 4 HB3 GLU 4 -14.203 10.568 6.031 22 HB3 GLU 4 HB2 GLU 4 -15.296 9.213 5.784 23 HG2 GLU 4 HG3 GLU 4 -14.402 8.309 7.992 24 HG3 GLU 4 HG2 GLU 4 -13.713 9.912 8.230 25 H LYS 5 H LYS 5 -14.825 6.958 4.751 26 HA LYS 5 HA LYS 5 -14.647 5.038 6.811 27 HB2 LYS 5 HB3 LYS 5 -15.518 4.604 3.948 28 HB3 LYS 5 HB2 LYS 5 -15.905 3.582 5.323 29 HG2 LYS 5 HG3 LYS 5 -16.814 6.037 6.133 30 HG3 LYS 5 HG2 LYS 5 -17.165 6.038 4.402 31 HD2 LYS 5 HD3 LYS 5 -17.833 3.537 5.786 32 HD3 LYS 5 HD2 LYS 5 -18.764 4.941 6.314 33 HE2 LYS 5 HE3 LYS 5 -20.036 4.777 4.504 34 HE3 LYS 5 HE2 LYS 5 -18.618 5.018 3.487 35 HZ1 LYS 5 HZ1 LYS 5 -20.142 2.682 3.845 36 HZ2 LYS 5 HZ2 LYS 5 -18.564 2.382 4.374 37 HZ3 LYS 5 HZ3 LYS 5 -18.835 2.941 2.801 38 H GLY 6 H GLY 6 -12.977 5.405 3.729 39 HA2 GLY 6 HA3 GLY 6 -11.709 2.890 3.668 40 HA3 GLY 6 HA2 GLY 6 -11.145 4.339 2.852 41 H LYS 7 H LYS 7 -10.693 5.982 5.043 42 HA LYS 7 HA LYS 7 -8.100 5.263 5.696 43 HB2 LYS 7 HB3 LYS 7 -8.509 7.532 5.914 44 HB3 LYS 7 HB2 LYS 7 -10.024 7.281 6.772 45 HG2 LYS 7 HG3 LYS 7 -7.866 6.230 8.327 46 HG3 LYS 7 HG2 LYS 7 -7.505 7.892 7.850 47 HD2 LYS 7 HD3 LYS 7 -10.181 7.952 8.591 48 HD3 LYS 7 HD2 LYS 7 -9.424 6.890 9.780 49 HE2 LYS 7 HE3 LYS 7 -8.915 8.809 10.831 50 HE3 LYS 7 HE2 LYS 7 -7.609 8.899 9.650 51 HZ1 LYS 7 HZ1 LYS 7 -8.535 10.920 9.314 52 HZ2 LYS 7 HZ2 LYS 7 -10.079 10.440 9.809 53 HZ3 LYS 7 HZ3 LYS 7 -9.528 10.044 8.261 54 H LYS 8 H LYS 8 -10.860 4.977 7.562 55 HA LYS 8 HA LYS 8 -9.905 3.861 9.974 56 HB2 LYS 8 HB3 LYS 8 -12.042 4.605 10.268 57 HB3 LYS 8 HB2 LYS 8 -12.539 4.149 8.644 58 HG2 LYS 8 HG3 LYS 8 -11.932 1.945 10.515 59 HG3 LYS 8 HG2 LYS 8 -13.388 2.890 10.833 60 HD2 LYS 8 HD3 LYS 8 -14.299 2.370 8.710 61 HD3 LYS 8 HD2 LYS 8 -12.762 1.722 8.132 62 HE2 LYS 8 HE3 LYS 8 -14.007 0.473 10.526 63 HE3 LYS 8 HE2 LYS 8 -14.722 0.143 8.947 64 HZ1 LYS 8 HZ1 LYS 8 -11.841 -0.229 9.534 65 HZ2 LYS 8 HZ2 LYS 8 -12.694 -0.765 8.175 66 HZ3 LYS 8 HZ3 LYS 8 -12.986 -1.466 9.685 67 H ILE 9 H ILE 9 -11.010 2.424 6.944 68 HA ILE 9 HA ILE 9 -11.041 -0.257 7.775 69 HB ILE 9 HB ILE 9 -10.837 1.101 5.128 70 HG12 ILE 9 HG13 ILE 9 -12.681 -1.038 6.219 71 HG13 ILE 9 HG12 ILE 9 -13.017 0.691 6.237 72 HG21 ILE 9 HG21 ILE 9 -10.584 -1.920 5.365 73 HG22 ILE 9 HG22 ILE 9 -9.196 -0.813 5.147 74 HG23 ILE 9 HG23 ILE 9 -10.463 -0.902 3.923 75 HD11 ILE 9 HD11 ILE 9 -13.191 -1.285 4.024 76 HD12 ILE 9 HD12 ILE 9 -12.523 0.329 3.618 77 HD13 ILE 9 HD13 ILE 9 -14.124 0.211 4.348 78 H PHE 10 H PHE 10 -8.483 1.701 6.301 79 HA PHE 10 HA PHE 10 -6.540 -0.346 6.153 80 HB2 PHE 10 HB3 PHE 10 -5.949 1.427 4.819 81 HB3 PHE 10 HB2 PHE 10 -6.534 2.625 5.967 82 HD1 PHE 10 HD1 PHE 10 -3.690 1.366 4.474 83 HD2 PHE 10 HD2 PHE 10 -5.153 2.569 8.285 84 HE1 PHE 10 HE1 PHE 10 -1.383 1.755 5.233 85 HE2 PHE 10 HE2 PHE 10 -2.847 2.962 9.052 86 HZ PHE 10 HZ PHE 10 -0.958 2.555 7.524 87 H VAL 11 H VAL 11 -7.380 1.980 8.644 88 HA VAL 11 HA VAL 11 -5.210 1.811 10.315 89 HB VAL 11 HB VAL 11 -8.127 2.066 11.032 90 HG11 VAL 11 HG11 VAL 11 -5.677 2.249 12.760 91 HG12 VAL 11 HG12 VAL 11 -7.136 1.293 13.019 92 HG13 VAL 11 HG13 VAL 11 -7.190 3.048 13.186 93 HG21 VAL 11 HG21 VAL 11 -6.243 3.836 9.875 94 HG22 VAL 11 HG22 VAL 11 -6.576 4.403 11.512 95 HG23 VAL 11 HG23 VAL 11 -7.901 4.172 10.370 96 H GLN 12 H GLN 12 -8.037 -0.381 10.306 97 HA GLN 12 HA GLN 12 -6.733 -2.110 12.325 98 HB2 GLN 12 HB3 GLN 12 -9.075 -3.295 11.069 99 HB3 GLN 12 HB2 GLN 12 -8.816 -2.865 12.755 100 HG2 GLN 12 HG3 GLN 12 -9.201 -0.422 11.620 101 HG3 GLN 12 HG2 GLN 12 -10.258 -1.445 10.646 102 HE21 GLN 12 HE21 GLN 12 -12.012 -0.254 11.562 103 HE22 GLN 12 HE22 GLN 12 -12.605 -0.656 13.133 104 H LYS 13 H LYS 13 -7.815 -2.166 9.148 105 HA LYS 13 HA LYS 13 -7.295 -4.066 7.659 106 HB2 LYS 13 HB3 LYS 13 -6.892 -1.385 7.412 107 HB3 LYS 13 HB2 LYS 13 -5.397 -2.108 6.845 108 HG2 LYS 13 HG3 LYS 13 -8.064 -2.098 5.635 109 HG3 LYS 13 HG2 LYS 13 -6.472 -2.200 4.882 110 HD2 LYS 13 HD3 LYS 13 -6.371 -4.536 5.759 111 HD3 LYS 13 HD2 LYS 13 -8.084 -4.364 6.140 112 HE2 LYS 13 HE3 LYS 13 -6.822 -4.913 3.619 113 HE3 LYS 13 HE2 LYS 13 -8.531 -4.959 4.046 114 HZ1 LYS 13 HZ1 LYS 13 -8.709 -2.623 3.596 115 HZ2 LYS 13 HZ2 LYS 13 -8.024 -3.381 2.249 116 HZ3 LYS 13 HZ3 LYS 13 -7.049 -2.495 3.307 117 H CYS 14 H CYS 14 -4.591 -2.473 9.116 118 HA CYS 14 HA CYS 14 -2.867 -4.453 9.515 119 HB2 CYS 14 HB3 CYS 14 -1.508 -4.873 7.627 120 HB3 CYS 14 HB2 CYS 14 -3.001 -5.607 7.730 121 H ALA 15 H ALA 15 -3.434 -1.458 9.701 122 HA ALA 15 HA ALA 15 -1.319 -0.128 8.518 123 HB1 ALA 15 HB1 ALA 15 -2.550 0.716 11.127 124 HB2 ALA 15 HB2 ALA 15 -3.383 0.868 9.581 125 HB3 ALA 15 HB3 ALA 15 -1.874 1.738 9.859 126 H GLN 16 H GLN 16 -1.408 -1.925 11.508 127 HA GLN 16 HA GLN 16 0.766 -0.922 12.816 128 HB2 GLN 16 HB3 GLN 16 0.471 -3.860 12.865 129 HB3 GLN 16 HB2 GLN 16 0.546 -2.712 14.195 130 HG2 GLN 16 HG3 GLN 16 -1.760 -2.055 13.537 131 HG3 GLN 16 HG2 GLN 16 -1.767 -3.512 12.543 132 HE21 GLN 16 HE21 GLN 16 -0.644 -2.708 15.795 133 HE22 GLN 16 HE22 GLN 16 -1.406 -4.014 16.595 134 H CYS 17 H CYS 17 0.543 -3.154 10.115 135 HA CYS 17 HA CYS 17 3.339 -3.810 10.117 136 HB2 CYS 17 HB3 CYS 17 1.490 -4.155 7.769 137 HB3 CYS 17 HB2 CYS 17 2.885 -5.130 8.221 138 H HIS 18 H HIS 18 1.409 -1.255 8.890 139 HA HIS 18 HA HIS 18 3.615 -0.362 7.159 140 HB2 HIS 18 HB3 HIS 18 0.712 0.479 7.076 141 HB3 HIS 18 HB2 HIS 18 1.972 0.981 5.953 142 HD1 HIS 18 HD1 HIS 18 1.683 -0.193 3.806 143 HD2 HIS 18 HD2 HIS 18 0.744 -2.637 7.031 144 HE1 HIS 18 HE1 HIS 18 1.074 -2.418 2.807 145 H THR 19 H THR 19 3.125 -0.032 10.141 146 HA THR 19 HA THR 19 3.302 1.567 11.751 147 HB THR 19 HB THR 19 4.754 3.062 9.561 148 HG1 THR 19 HG1 THR 19 6.579 1.982 10.320 149 HG21 THR 19 HG21 THR 19 5.192 3.176 12.500 150 HG22 THR 19 HG22 THR 19 4.271 4.374 11.589 151 HG23 THR 19 HG23 THR 19 5.984 4.132 11.247 152 H VAL 20 H VAL 20 2.659 3.704 12.431 153 HA VAL 20 HA VAL 20 0.344 4.556 11.098 154 HB VAL 20 HB VAL 20 1.367 5.905 13.537 155 HG11 VAL 20 HG11 VAL 20 -0.680 6.546 12.216 156 HG12 VAL 20 HG12 VAL 20 -0.721 6.495 13.978 157 HG13 VAL 20 HG13 VAL 20 -1.391 5.160 13.042 158 HG21 VAL 20 HG21 VAL 20 0.458 4.195 14.952 159 HG22 VAL 20 HG22 VAL 20 1.561 3.472 13.892 160 HG23 VAL 20 HG23 VAL 20 -0.060 3.283 13.535 161 H GLU 21 H GLU 21 1.340 7.200 12.433 162 HA GLU 21 HA GLU 21 1.603 8.646 10.052 163 HB2 GLU 21 HB3 GLU 21 1.931 10.255 12.440 164 HB3 GLU 21 HB2 GLU 21 0.811 10.433 11.142 165 HG2 GLU 21 HG3 GLU 21 -0.634 8.773 12.209 166 HG3 GLU 21 HG2 GLU 21 0.537 8.601 13.516 167 H LYS 22 H LYS 22 3.348 9.790 9.477 168 HA LYS 22 HA LYS 22 5.802 8.644 9.997 169 HB2 LYS 22 HB3 LYS 22 5.107 10.293 8.152 170 HB3 LYS 22 HB2 LYS 22 5.535 11.557 9.293 171 HG2 LYS 22 HG3 LYS 22 7.341 9.456 8.124 172 HG3 LYS 22 HG2 LYS 22 7.403 11.201 7.867 173 HD2 LYS 22 HD3 LYS 22 7.928 9.751 10.461 174 HD3 LYS 22 HD2 LYS 22 9.136 10.517 9.426 175 HE2 LYS 22 HE3 LYS 22 8.204 12.688 9.851 176 HE3 LYS 22 HE2 LYS 22 6.845 11.983 10.725 177 HZ1 LYS 22 HZ1 LYS 22 9.342 12.750 11.731 178 HZ2 LYS 22 HZ2 LYS 22 9.210 11.072 11.907 179 HZ3 LYS 22 HZ3 LYS 22 8.033 12.087 12.572 180 H GLY 23 H GLY 23 7.040 8.603 11.724 181 HA2 GLY 23 HA3 GLY 23 8.198 10.461 13.195 182 HA3 GLY 23 HA2 GLY 23 6.579 10.533 13.882 183 H GLY 24 H GLY 24 6.114 7.661 13.517 184 HA2 GLY 24 HA3 GLY 24 7.303 6.784 15.991 185 HA3 GLY 24 HA2 GLY 24 6.192 5.868 14.982 186 H LYS 25 H LYS 25 7.121 3.983 14.517 187 HA LYS 25 HA LYS 25 9.973 3.976 13.781 188 HB2 LYS 25 HB3 LYS 25 8.809 1.354 14.258 189 HB3 LYS 25 HB2 LYS 25 10.242 2.120 14.981 190 HG2 LYS 25 HG3 LYS 25 9.116 2.847 16.792 191 HG3 LYS 25 HG2 LYS 25 7.610 3.048 15.914 192 HD2 LYS 25 HD3 LYS 25 8.834 0.434 16.811 193 HD3 LYS 25 HD2 LYS 25 7.407 1.236 17.516 194 HE2 LYS 25 HE3 LYS 25 6.077 0.254 16.035 195 HE3 LYS 25 HE2 LYS 25 6.998 0.961 14.708 196 HZ1 LYS 25 HZ1 LYS 25 7.035 -1.725 15.736 197 HZ2 LYS 25 HZ2 LYS 25 8.581 -1.073 15.518 198 HZ3 LYS 25 HZ3 LYS 25 7.503 -1.142 14.219 199 H HIS 26 H HIS 26 10.692 2.577 12.110 200 HA HIS 26 HA HIS 26 9.091 2.835 9.811 201 HB2 HIS 26 HB3 HIS 26 10.991 0.738 9.423 202 HB3 HIS 26 HB2 HIS 26 11.040 2.390 8.817 203 HD1 HIS 26 HD1 HIS 26 11.777 0.724 12.171 204 HD2 HIS 26 HD2 HIS 26 13.305 3.611 9.602 205 HE1 HIS 26 HE1 HIS 26 13.881 1.555 13.269 206 HE2 HIS 26 HE2 HIS 26 14.736 3.367 11.743 207 H LYS 27 H LYS 27 7.761 1.406 8.635 208 HA LYS 27 HA LYS 27 6.697 -0.818 10.178 209 HB2 LYS 27 HB3 LYS 27 4.837 -0.700 8.817 210 HB3 LYS 27 HB2 LYS 27 5.403 0.962 8.729 211 HG2 LYS 27 HG3 LYS 27 6.742 -0.315 6.668 212 HG3 LYS 27 HG2 LYS 27 5.119 -1.010 6.637 213 HD2 LYS 27 HD3 LYS 27 5.565 1.129 5.272 214 HD3 LYS 27 HD2 LYS 27 4.109 1.056 6.268 215 HE2 LYS 27 HE3 LYS 27 4.776 2.777 7.517 216 HE3 LYS 27 HE2 LYS 27 6.373 2.070 7.758 217 HZ1 LYS 27 HZ1 LYS 27 7.153 3.040 5.769 218 HZ2 LYS 27 HZ2 LYS 27 6.323 4.267 6.586 219 HZ3 LYS 27 HZ3 LYS 27 5.597 3.486 5.272 220 H THR 28 H THR 28 6.082 -2.819 8.794 221 HA THR 28 HA THR 28 8.503 -4.050 7.973 222 HB THR 28 HB THR 28 5.880 -5.246 7.222 223 HG1 THR 28 HG1 THR 28 6.709 -5.270 9.911 224 HG21 THR 28 HG21 THR 28 6.839 -7.178 7.849 225 HG22 THR 28 HG22 THR 28 8.014 -6.522 8.873 226 HG23 THR 28 HG23 THR 28 8.205 -6.295 7.166 227 H GLY 29 H GLY 29 5.734 -2.715 6.238 228 HA2 GLY 29 HA3 GLY 29 7.334 -2.854 3.768 229 HA3 GLY 29 HA2 GLY 29 5.665 -3.406 3.762 230 HA PRO 30 HA PRO 30 6.532 1.398 2.995 231 HB2 PRO 30 HB3 PRO 30 5.442 0.360 0.476 232 HB3 PRO 30 HB2 PRO 30 6.564 1.690 0.791 233 HG2 PRO 30 HG3 PRO 30 7.456 -0.666 -0.085 234 HG3 PRO 30 HG2 PRO 30 8.366 0.269 1.114 235 HD2 PRO 30 HD3 PRO 30 6.784 -2.168 1.370 236 HD3 PRO 30 HD2 PRO 30 8.183 -1.583 2.293 237 H ASN 31 H ASN 31 4.888 2.439 3.911 238 HA ASN 31 HA ASN 31 2.332 1.456 4.314 239 HB2 ASN 31 HB3 ASN 31 3.633 3.568 5.278 240 HB3 ASN 31 HB2 ASN 31 2.673 4.406 4.064 241 HD21 ASN 31 HD21 ASN 31 2.008 5.335 6.274 242 HD22 ASN 31 HD22 ASN 31 0.703 4.602 6.985 243 H LEU 32 H LEU 32 3.204 3.992 2.102 244 HA LEU 32 HA LEU 32 1.727 2.944 0.061 245 HB2 LEU 32 HB3 LEU 32 -0.170 4.453 -0.202 246 HB3 LEU 32 HB2 LEU 32 -0.206 3.493 1.267 247 HG LEU 32 HG LEU 32 -1.256 5.622 1.830 248 HD11 LEU 32 HD11 LEU 32 1.408 5.250 2.771 249 HD12 LEU 32 HD12 LEU 32 -0.019 4.569 3.550 250 HD13 LEU 32 HD13 LEU 32 0.248 6.311 3.571 251 HD21 LEU 32 HD21 LEU 32 -0.483 7.584 1.068 252 HD22 LEU 32 HD22 LEU 32 0.187 6.508 -0.158 253 HD23 LEU 32 HD23 LEU 32 1.178 7.026 1.212 254 H HIS 33 H HIS 33 3.216 5.651 1.561 255 HA HIS 33 HA HIS 33 3.290 7.582 -0.387 256 HB2 HIS 33 HB3 HIS 33 4.612 7.117 2.029 257 HB3 HIS 33 HB2 HIS 33 5.902 7.296 0.846 258 HD1 HIS 33 HD1 HIS 33 6.551 9.560 1.988 259 HD2 HIS 33 HD2 HIS 33 2.761 9.487 0.287 260 HE1 HIS 33 HE1 HIS 33 5.821 11.964 1.870 261 HE2 HIS 33 HE2 HIS 33 3.491 11.887 0.917 262 H GLY 34 H GLY 34 4.024 7.667 -2.403 263 HA2 GLY 34 HA3 GLY 34 5.323 7.272 -4.263 264 HA3 GLY 34 HA2 GLY 34 6.493 6.487 -3.211 265 H LEU 35 H LEU 35 3.306 5.283 -2.992 266 HA LEU 35 HA LEU 35 4.021 2.686 -3.761 267 HB2 LEU 35 HB3 LEU 35 2.099 3.286 -2.300 268 HB3 LEU 35 HB2 LEU 35 1.254 3.893 -3.720 269 HG LEU 35 HG LEU 35 1.179 1.663 -4.675 270 HD11 LEU 35 HD11 LEU 35 2.358 -0.040 -3.899 271 HD12 LEU 35 HD12 LEU 35 2.219 0.347 -2.248 272 HD13 LEU 35 HD13 LEU 35 3.411 1.115 -3.295 273 HD21 LEU 35 HD21 LEU 35 0.300 2.001 -1.867 274 HD22 LEU 35 HD22 LEU 35 0.009 0.494 -2.734 275 HD23 LEU 35 HD23 LEU 35 -0.609 2.014 -3.377 276 H PHE 36 H PHE 36 2.212 5.190 -5.517 277 HA PHE 36 HA PHE 36 2.562 3.617 -7.979 278 HB2 PHE 36 HB3 PHE 36 0.788 5.917 -7.897 279 HB3 PHE 36 HB2 PHE 36 0.651 4.379 -8.762 280 HD1 PHE 36 HD1 PHE 36 -0.372 2.575 -7.708 281 HD2 PHE 36 HD2 PHE 36 0.162 6.070 -5.541 282 HE1 PHE 36 HE1 PHE 36 -1.907 1.730 -5.980 283 HE2 PHE 36 HE2 PHE 36 -1.371 5.239 -3.805 284 HZ PHE 36 HZ PHE 36 -2.414 3.021 -4.044 285 H GLY 37 H GLY 37 4.305 5.714 -6.496 286 HA2 GLY 37 HA3 GLY 37 4.822 7.361 -8.895 287 HA3 GLY 37 HA2 GLY 37 4.951 8.005 -7.257 288 H ARG 38 H ARG 38 6.227 5.768 -6.074 289 HA ARG 38 HA ARG 38 8.922 6.210 -7.072 290 HB2 ARG 38 HB3 ARG 38 7.866 4.842 -4.595 291 HB3 ARG 38 HB2 ARG 38 9.574 4.941 -5.000 292 HG2 ARG 38 HG3 ARG 38 9.248 7.464 -5.067 293 HG3 ARG 38 HG2 ARG 38 7.699 7.164 -4.274 294 HD2 ARG 38 HD3 ARG 38 8.694 6.920 -2.303 295 HD3 ARG 38 HD2 ARG 38 9.780 5.694 -2.954 296 HE ARG 38 HE ARG 38 11.390 7.281 -2.706 297 HH11 ARG 38 HH11 ARG 38 8.457 8.849 -3.739 298 HH12 ARG 38 HH12 ARG 38 9.184 10.415 -3.866 299 HH21 ARG 38 HH21 ARG 38 12.358 9.341 -2.865 300 HH22 ARG 38 HH22 ARG 38 11.403 10.695 -3.368 301 H LYS 39 H LYS 39 10.432 4.260 -7.053 302 HA LYS 39 HA LYS 39 9.665 2.473 -9.021 303 HB2 LYS 39 HB3 LYS 39 12.013 2.936 -8.434 304 HB3 LYS 39 HB2 LYS 39 11.806 2.051 -6.930 305 HG2 LYS 39 HG3 LYS 39 12.767 0.999 -9.250 306 HG3 LYS 39 HG2 LYS 39 12.088 0.151 -7.884 307 HD2 LYS 39 HD3 LYS 39 11.106 -0.490 -10.024 308 HD3 LYS 39 HD2 LYS 39 9.895 0.239 -8.977 309 HE2 LYS 39 HE3 LYS 39 10.456 2.341 -10.228 310 HE3 LYS 39 HE2 LYS 39 11.244 1.401 -11.389 311 HZ1 LYS 39 HZ1 LYS 39 9.266 0.608 -12.112 312 HZ2 LYS 39 HZ2 LYS 39 8.714 2.103 -11.545 313 HZ3 LYS 39 HZ3 LYS 39 8.520 0.717 -10.597 314 H THR 40 H THR 40 10.788 0.863 -6.156 315 HA THR 40 HA THR 40 8.230 -0.032 -5.343 316 HB THR 40 HB THR 40 8.711 -2.340 -5.116 317 HG1 THR 40 HG1 THR 40 10.191 -3.535 -6.020 318 HG21 THR 40 HG21 THR 40 8.389 -2.098 -7.901 319 HG22 THR 40 HG22 THR 40 8.675 -2.941 -6.690 320 HG23 THR 40 HG23 THR 40 7.284 -2.959 -6.387 321 H GLY 41 H GLY 41 8.158 0.381 -3.550 322 HA2 GLY 41 HA3 GLY 41 8.666 0.427 -1.312 323 HA3 GLY 41 HA2 GLY 41 9.323 -1.179 -1.577 324 H GLN 42 H GLN 42 10.532 1.830 -2.979 325 HA GLN 42 HA GLN 42 13.099 1.317 -1.654 326 HB2 GLN 42 HB3 GLN 42 13.580 3.338 -3.438 327 HB3 GLN 42 HB2 GLN 42 13.827 1.626 -3.757 328 HG2 GLN 42 HG3 GLN 42 12.579 2.789 -5.535 329 HG3 GLN 42 HG2 GLN 42 11.684 1.453 -4.814 330 HE21 GLN 42 HE21 GLN 42 9.620 1.961 -4.814 331 HE22 GLN 42 HE22 GLN 42 8.941 3.469 -4.317 332 H ALA 43 H ALA 43 11.179 2.367 0.002 333 HA ALA 43 HA ALA 43 10.978 5.123 0.191 334 HB1 ALA 43 HB1 ALA 43 11.104 4.299 2.822 335 HB2 ALA 43 HB2 ALA 43 10.567 2.857 1.958 336 HB3 ALA 43 HB3 ALA 43 9.657 4.362 1.816 337 HA PRO 44 HA PRO 44 14.834 6.620 1.725 338 HB2 PRO 44 HB3 PRO 44 14.221 8.301 3.719 339 HB3 PRO 44 HB2 PRO 44 13.708 8.618 2.048 340 HG2 PRO 44 HG3 PRO 44 12.142 7.477 4.342 341 HG3 PRO 44 HG2 PRO 44 11.647 8.677 3.135 342 HD2 PRO 44 HD3 PRO 44 11.002 6.010 3.007 343 HD3 PRO 44 HD2 PRO 44 11.108 7.076 1.591 344 H GLY 45 H GLY 45 14.015 7.253 4.922 345 HA2 GLY 45 HA3 GLY 45 16.048 5.532 5.933 346 HA3 GLY 45 HA2 GLY 45 14.918 6.476 6.892 347 H PHE 46 H PHE 46 13.160 4.612 4.654 348 HA PHE 46 HA PHE 46 12.258 2.834 6.739 349 HB2 PHE 46 HB3 PHE 46 10.637 3.837 5.200 350 HB3 PHE 46 HB2 PHE 46 11.427 3.049 3.839 351 HD1 PHE 46 HD1 PHE 46 9.644 2.360 7.018 352 HD2 PHE 46 HD2 PHE 46 10.787 0.915 3.177 353 HE1 PHE 46 HE1 PHE 46 8.196 0.384 7.323 354 HE2 PHE 46 HE2 PHE 46 9.344 -1.054 3.478 355 HZ PHE 46 HZ PHE 46 8.046 -1.322 5.552 356 H THR 47 H THR 47 12.696 0.706 6.962 357 HA THR 47 HA THR 47 14.855 -0.380 5.424 358 HB THR 47 HB THR 47 13.952 -0.745 8.005 359 HG1 THR 47 HG1 THR 47 15.650 -2.263 8.103 360 HG21 THR 47 HG21 THR 47 13.623 -3.215 8.146 361 HG22 THR 47 HG22 THR 47 13.336 -3.211 6.406 362 HG23 THR 47 HG23 THR 47 12.260 -2.316 7.480 363 H TYR 48 H TYR 48 14.331 -0.929 3.400 364 HA TYR 48 HA TYR 48 11.821 -2.080 2.687 365 HB2 TYR 48 HB3 TYR 48 13.731 -2.626 0.745 366 HB3 TYR 48 HB2 TYR 48 12.461 -1.409 0.762 367 HD1 TYR 48 HD1 TYR 48 15.916 -1.938 2.002 368 HD2 TYR 48 HD2 TYR 48 13.072 0.824 0.592 369 HE1 TYR 48 HE1 TYR 48 17.618 -0.217 2.165 370 HE2 TYR 48 HE2 TYR 48 14.775 2.590 0.670 371 HH TYR 48 HH TYR 48 17.889 2.087 2.156 372 H THR 49 H THR 49 11.595 -4.126 1.701 373 HA THR 49 HA THR 49 12.875 -6.261 3.158 374 HB THR 49 HB THR 49 11.268 -7.709 2.096 375 HG1 THR 49 HG1 THR 49 9.819 -6.665 0.501 376 HG21 THR 49 HG21 THR 49 9.362 -5.548 2.245 377 HG22 THR 49 HG22 THR 49 10.474 -5.543 3.614 378 HG23 THR 49 HG23 THR 49 9.527 -6.986 3.253 379 H ASP 50 H ASP 50 13.538 -8.265 1.786 380 HA ASP 50 HA ASP 50 15.798 -7.616 0.321 381 HB2 ASP 50 HB3 ASP 50 15.839 -9.816 1.014 382 HB3 ASP 50 HB2 ASP 50 14.145 -10.083 0.615 383 H ALA 51 H ALA 51 12.464 -8.065 -0.751 384 HA ALA 51 HA ALA 51 13.014 -8.068 -3.489 385 HB1 ALA 51 HB1 ALA 51 10.891 -8.705 -3.587 386 HB2 ALA 51 HB2 ALA 51 10.367 -7.143 -2.959 387 HB3 ALA 51 HB3 ALA 51 10.752 -8.458 -1.846 388 H ASN 52 H ASN 52 11.924 -5.584 -1.190 389 HA ASN 52 HA ASN 52 11.600 -3.502 -3.041 390 HB2 ASN 52 HB3 ASN 52 12.337 -3.386 -0.110 391 HB3 ASN 52 HB2 ASN 52 11.831 -2.048 -1.096 392 HD21 ASN 52 HD21 ASN 52 10.047 -4.095 -2.498 393 HD22 ASN 52 HD22 ASN 52 8.649 -4.144 -1.484 394 H LYS 53 H LYS 53 14.408 -4.478 -1.113 395 HA LYS 53 HA LYS 53 16.123 -2.463 -1.893 396 HB2 LYS 53 HB3 LYS 53 17.957 -4.095 -1.336 397 HB3 LYS 53 HB2 LYS 53 16.789 -3.832 -0.076 398 HG2 LYS 53 HG3 LYS 53 15.668 -5.835 -0.460 399 HG3 LYS 53 HG2 LYS 53 16.604 -6.118 -1.929 400 HD2 LYS 53 HD3 LYS 53 17.761 -7.438 -0.488 401 HD3 LYS 53 HD2 LYS 53 18.635 -5.931 -0.250 402 HE2 LYS 53 HE3 LYS 53 18.142 -5.947 1.857 403 HE3 LYS 53 HE2 LYS 53 16.429 -5.858 1.453 404 HZ1 LYS 53 HZ1 LYS 53 17.948 -8.072 2.428 405 HZ2 LYS 53 HZ2 LYS 53 17.092 -8.473 1.026 406 HZ3 LYS 53 HZ3 LYS 53 16.270 -7.859 2.372 407 H ASN 54 H ASN 54 15.154 -5.338 -3.481 408 HA ASN 54 HA ASN 54 17.182 -5.237 -5.508 409 HB2 ASN 54 HB3 ASN 54 14.552 -6.736 -5.454 410 HB3 ASN 54 HB2 ASN 54 15.857 -7.000 -6.606 411 HD21 ASN 54 HD21 ASN 54 17.228 -6.218 -3.723 412 HD22 ASN 54 HD22 ASN 54 17.510 -7.804 -3.097 413 H LYS 55 H LYS 55 14.255 -3.622 -4.923 414 HA LYS 55 HA LYS 55 13.213 -1.943 -6.062 415 HB2 LYS 55 HB3 LYS 55 15.498 -2.419 -7.964 416 HB3 LYS 55 HB2 LYS 55 14.223 -1.262 -8.318 417 HG2 LYS 55 HG3 LYS 55 15.033 0.202 -6.927 418 HG3 LYS 55 HG2 LYS 55 15.379 -1.002 -5.684 419 HD2 LYS 55 HD3 LYS 55 17.067 -0.208 -8.043 420 HD3 LYS 55 HD2 LYS 55 17.477 -0.140 -6.327 421 HE2 LYS 55 HE3 LYS 55 17.102 -2.671 -6.417 422 HE3 LYS 55 HE2 LYS 55 17.387 -2.434 -8.142 423 HZ1 LYS 55 HZ1 LYS 55 19.473 -2.901 -7.257 424 HZ2 LYS 55 HZ2 LYS 55 19.233 -1.933 -5.890 425 HZ3 LYS 55 HZ3 LYS 55 19.476 -1.215 -7.402 426 H GLY 56 H GLY 56 11.787 -4.019 -6.120 427 HA2 GLY 56 HA3 GLY 56 11.352 -5.532 -8.400 428 HA3 GLY 56 HA2 GLY 56 10.107 -5.110 -7.236 429 H ILE 57 H ILE 57 8.492 -3.727 -7.808 430 HA ILE 57 HA ILE 57 8.960 -1.928 -10.029 431 HB ILE 57 HB ILE 57 7.818 -4.347 -10.598 432 HG12 ILE 57 HG13 ILE 57 8.677 -3.230 -12.374 433 HG13 ILE 57 HG12 ILE 57 6.972 -2.890 -12.654 434 HG21 ILE 57 HG21 ILE 57 5.741 -3.991 -9.577 435 HG22 ILE 57 HG22 ILE 57 5.475 -3.636 -11.282 436 HG23 ILE 57 HG23 ILE 57 5.667 -2.318 -10.127 437 HD11 ILE 57 HD11 ILE 57 7.194 -0.707 -12.131 438 HD12 ILE 57 HD12 ILE 57 8.852 -1.011 -12.653 439 HD13 ILE 57 HD13 ILE 57 8.453 -1.009 -10.933 440 H THR 58 H THR 58 6.959 -0.584 -10.484 441 HA THR 58 HA THR 58 6.101 0.530 -7.957 442 HB THR 58 HB THR 58 6.524 1.525 -10.547 443 HG1 THR 58 HG1 THR 58 6.034 3.465 -9.523 444 HG21 THR 58 HG21 THR 58 4.165 0.986 -11.062 445 HG22 THR 58 HG22 THR 58 4.527 2.711 -11.114 446 HG23 THR 58 HG23 THR 58 3.675 2.031 -9.727 447 H TRP 59 H TRP 59 4.444 -0.236 -6.916 448 HA TRP 59 HA TRP 59 2.490 -1.958 -8.018 449 HB2 TRP 59 HB3 TRP 59 1.830 -0.533 -5.511 450 HB3 TRP 59 HB2 TRP 59 1.821 -2.258 -5.864 451 HD1 TRP 59 HD1 TRP 59 4.259 0.506 -4.920 452 HE1 TRP 59 HE1 TRP 59 6.328 -0.508 -3.781 453 HE3 TRP 59 HE3 TRP 59 3.111 -4.370 -5.599 454 HZ2 TRP 59 HZ2 TRP 59 7.329 -3.095 -3.265 455 HZ3 TRP 59 HZ3 TRP 59 4.674 -6.080 -4.765 456 HH2 TRP 59 HH2 TRP 59 6.739 -5.454 -3.622 457 H LYS 60 H LYS 60 1.093 -1.321 -9.511 458 HA LYS 60 HA LYS 60 -0.134 1.331 -9.235 459 HB2 LYS 60 HB3 LYS 60 0.180 1.451 -11.444 460 HB3 LYS 60 HB2 LYS 60 0.785 -0.199 -11.473 461 HG2 LYS 60 HG3 LYS 60 -0.955 -0.536 -12.845 462 HG3 LYS 60 HG2 LYS 60 -1.868 -0.666 -11.342 463 HD2 LYS 60 HD3 LYS 60 -2.985 1.239 -11.727 464 HD3 LYS 60 HD2 LYS 60 -1.533 2.083 -12.273 465 HE2 LYS 60 HE3 LYS 60 -2.199 0.139 -14.227 466 HE3 LYS 60 HE2 LYS 60 -3.672 1.020 -13.822 467 HZ1 LYS 60 HZ1 LYS 60 -1.758 1.850 -15.553 468 HZ2 LYS 60 HZ2 LYS 60 -1.389 2.727 -14.156 469 HZ3 LYS 60 HZ3 LYS 60 -2.929 2.841 -14.842 470 H GLU 61 H GLU 61 -2.459 1.389 -10.051 471 HA GLU 61 HA GLU 61 -4.063 -0.124 -8.283 472 HB2 GLU 61 HB3 GLU 61 -4.461 2.047 -9.960 473 HB3 GLU 61 HB2 GLU 61 -5.524 0.814 -10.625 474 HG2 GLU 61 HG3 GLU 61 -5.797 0.833 -7.790 475 HG3 GLU 61 HG2 GLU 61 -5.954 2.482 -8.396 476 H GLU 62 H GLU 62 -3.868 -0.393 -11.839 477 HA GLU 62 HA GLU 62 -5.454 -2.707 -12.032 478 HB2 GLU 62 HB3 GLU 62 -4.980 -2.674 -14.281 479 HB3 GLU 62 HB2 GLU 62 -4.616 -1.010 -13.851 480 HG2 GLU 62 HG3 GLU 62 -2.229 -1.630 -13.654 481 HG3 GLU 62 HG2 GLU 62 -2.639 -3.248 -14.218 482 H THR 63 H THR 63 -1.907 -2.292 -11.787 483 HA THR 63 HA THR 63 -1.236 -5.005 -12.133 484 HB THR 63 HB THR 63 0.082 -2.575 -11.675 485 HG1 THR 63 HG1 THR 63 1.395 -3.637 -12.897 486 HG21 THR 63 HG21 THR 63 1.592 -2.889 -9.978 487 HG22 THR 63 HG22 THR 63 1.298 -4.627 -9.892 488 HG23 THR 63 HG23 THR 63 0.106 -3.498 -9.251 489 H LEU 64 H LEU 64 -2.335 -3.180 -9.396 490 HA LEU 64 HA LEU 64 -1.569 -5.053 -7.390 491 HB2 LEU 64 HB3 LEU 64 -3.038 -2.538 -7.545 492 HB3 LEU 64 HB2 LEU 64 -3.728 -3.649 -6.376 493 HG LEU 64 HG LEU 64 -0.884 -2.639 -6.410 494 HD11 LEU 64 HD11 LEU 64 -1.966 -0.878 -5.487 495 HD12 LEU 64 HD12 LEU 64 -1.866 -1.889 -4.045 496 HD13 LEU 64 HD13 LEU 64 -3.353 -1.847 -4.991 497 HD21 LEU 64 HD21 LEU 64 -0.569 -3.865 -4.360 498 HD22 LEU 64 HD22 LEU 64 -1.082 -4.979 -5.627 499 HD23 LEU 64 HD23 LEU 64 -2.235 -4.443 -4.407 500 H MET 65 H MET 65 -4.400 -4.567 -9.402 501 HA MET 65 HA MET 65 -6.192 -6.253 -8.058 502 HB2 MET 65 HB3 MET 65 -5.950 -5.476 -10.963 503 HB3 MET 65 HB2 MET 65 -7.255 -6.490 -10.366 504 HG2 MET 65 HG3 MET 65 -6.661 -3.646 -9.623 505 HG3 MET 65 HG2 MET 65 -8.075 -4.272 -10.481 506 HE1 MET 65 HE1 MET 65 -6.559 -3.141 -7.299 507 HE2 MET 65 HE2 MET 65 -6.103 -4.819 -7.005 508 HE3 MET 65 HE3 MET 65 -7.332 -4.047 -6.000 509 H GLU 66 H GLU 66 -3.784 -6.927 -10.580 510 HA GLU 66 HA GLU 66 -4.452 -9.724 -10.700 511 HB2 GLU 66 HB3 GLU 66 -2.232 -9.770 -12.024 512 HB3 GLU 66 HB2 GLU 66 -3.600 -8.910 -12.717 513 HG2 GLU 66 HG3 GLU 66 -2.689 -6.796 -12.001 514 HG3 GLU 66 HG2 GLU 66 -1.359 -7.617 -11.179 515 H TYR 67 H TYR 67 -2.037 -7.707 -9.141 516 HA TYR 67 HA TYR 67 -0.378 -9.719 -8.227 517 HB2 TYR 67 HB3 TYR 67 0.615 -7.683 -7.941 518 HB3 TYR 67 HB2 TYR 67 -0.901 -6.897 -7.582 519 HD1 TYR 67 HD1 TYR 67 2.020 -8.605 -6.231 520 HD2 TYR 67 HD2 TYR 67 -1.724 -6.985 -5.237 521 HE1 TYR 67 HE1 TYR 67 2.629 -8.649 -3.849 522 HE2 TYR 67 HE2 TYR 67 -1.124 -7.022 -2.852 523 HH TYR 67 HH TYR 67 0.662 -7.110 -1.473 524 H LEU 68 H LEU 68 -3.443 -8.719 -7.181 525 HA LEU 68 HA LEU 68 -3.383 -9.557 -4.502 526 HB2 LEU 68 HB3 LEU 68 -5.577 -9.230 -6.520 527 HB3 LEU 68 HB2 LEU 68 -5.920 -9.886 -4.931 528 HG LEU 68 HG LEU 68 -4.642 -7.193 -5.402 529 HD11 LEU 68 HD11 LEU 68 -6.763 -6.197 -4.994 530 HD12 LEU 68 HD12 LEU 68 -7.496 -7.760 -4.628 531 HD13 LEU 68 HD13 LEU 68 -6.981 -7.390 -6.274 532 HD21 LEU 68 HD21 LEU 68 -4.097 -8.133 -3.271 533 HD22 LEU 68 HD22 LEU 68 -5.439 -7.220 -2.656 534 HD23 LEU 68 HD23 LEU 68 -5.246 -6.822 -3.043 535 H GLU 69 H GLU 69 -3.280 -11.345 -7.389 536 HA GLU 69 HA GLU 69 -4.607 -13.704 -6.659 537 HB2 GLU 69 HB3 GLU 69 -3.249 -12.819 -8.881 538 HB3 GLU 69 HB2 GLU 69 -2.259 -14.087 -8.287 539 HG2 GLU 69 HG3 GLU 69 -4.054 -15.669 -8.346 540 HG3 GLU 69 HG2 GLU 69 -5.132 -14.388 -8.899 541 H ASN 70 H ASN 70 -1.123 -13.598 -7.010 542 HA ASN 70 HA ASN 70 -0.929 -15.092 -4.550 543 HB2 ASN 70 HB3 ASN 70 0.448 -15.444 -7.131 544 HB3 ASN 70 HB2 ASN 70 1.291 -15.894 -5.710 545 HD21 ASN 70 HD21 ASN 70 -1.075 -16.743 -7.960 546 HD22 ASN 70 HD22 ASN 70 -1.592 -18.200 -7.297 547 HA PRO 71 HA PRO 71 1.114 -11.098 -3.577 548 HB2 PRO 71 HB3 PRO 71 1.119 -12.551 -0.971 549 HB3 PRO 71 HB2 PRO 71 0.691 -10.872 -1.323 550 HG2 PRO 71 HG3 PRO 71 -1.202 -12.681 -0.849 551 HG3 PRO 71 HG2 PRO 71 -1.425 -11.431 -2.087 552 HD2 PRO 71 HD3 PRO 71 -0.801 -14.329 -2.409 553 HD3 PRO 71 HD2 PRO 71 -1.788 -13.265 -3.433 554 H LYS 72 H LYS 72 2.053 -14.397 -2.798 555 HA LYS 72 HA LYS 72 4.775 -13.695 -2.185 556 HB2 LYS 72 HB3 LYS 72 4.775 -15.706 -1.221 557 HB3 LYS 72 HB2 LYS 72 3.120 -15.936 -1.769 558 HG2 LYS 72 HG3 LYS 72 4.110 -17.786 -2.660 559 HG3 LYS 72 HG2 LYS 72 4.300 -16.656 -4.001 560 HD2 LYS 72 HD3 LYS 72 6.506 -16.364 -2.210 561 HD3 LYS 72 HD2 LYS 72 6.311 -18.072 -2.612 562 HE2 LYS 72 HE3 LYS 72 5.963 -16.641 -5.008 563 HE3 LYS 72 HE2 LYS 72 7.370 -15.938 -4.210 564 HZ1 LYS 72 HZ1 LYS 72 8.346 -18.131 -4.048 565 HZ2 LYS 72 HZ2 LYS 72 7.968 -17.787 -5.661 566 HZ3 LYS 72 HZ3 LYS 72 6.982 -18.830 -4.767 567 H LYS 73 H LYS 73 2.963 -14.538 -4.992 568 HA LYS 73 HA LYS 73 5.106 -15.518 -6.528 569 HB2 LYS 73 HB3 LYS 73 3.584 -15.622 -8.271 570 HB3 LYS 73 HB2 LYS 73 2.519 -15.713 -6.875 571 HG2 LYS 73 HG3 LYS 73 1.389 -14.122 -7.991 572 HG3 LYS 73 HG2 LYS 73 2.568 -13.053 -7.229 573 HD2 LYS 73 HD3 LYS 73 2.178 -12.800 -9.751 574 HD3 LYS 73 HD2 LYS 73 3.847 -12.884 -9.182 575 HE2 LYS 73 HE3 LYS 73 3.305 -14.275 -11.216 576 HE3 LYS 73 HE2 LYS 73 4.072 -15.132 -9.878 577 HZ1 LYS 73 HZ1 LYS 73 1.738 -15.761 -9.193 578 HZ2 LYS 73 HZ2 LYS 73 2.330 -16.500 -10.596 579 HZ3 LYS 73 HZ3 LYS 73 1.233 -15.216 -10.714 580 H TYR 74 H TYR 74 3.849 -12.349 -5.777 581 HA TYR 74 HA TYR 74 5.337 -11.025 -7.865 582 HB2 TYR 74 HB3 TYR 74 3.412 -10.227 -5.764 583 HB3 TYR 74 HB2 TYR 74 4.600 -9.009 -6.216 584 HD1 TYR 74 HD1 TYR 74 2.086 -11.325 -7.699 585 HD2 TYR 74 HD2 TYR 74 4.235 -7.675 -8.088 586 HE1 TYR 74 HE1 TYR 74 0.734 -10.747 -9.670 587 HE2 TYR 74 HE2 TYR 74 2.887 -7.085 -10.059 588 HH TYR 74 HH TYR 74 0.635 -9.355 -11.491 589 H ILE 75 H ILE 75 5.582 -11.367 -4.340 590 HA ILE 75 HA ILE 75 8.407 -10.595 -4.549 591 HB ILE 75 HB ILE 75 6.413 -9.582 -2.581 592 HG12 ILE 75 HG13 ILE 75 6.463 -8.097 -4.304 593 HG13 ILE 75 HG12 ILE 75 7.647 -7.419 -3.191 594 HG21 ILE 75 HG21 ILE 75 8.436 -8.517 -1.485 595 HG22 ILE 75 HG22 ILE 75 9.411 -9.660 -2.408 596 HG23 ILE 75 HG23 ILE 75 8.230 -10.250 -1.240 597 HD11 ILE 75 HD11 ILE 75 8.950 -7.325 -5.000 598 HD12 ILE 75 HD12 ILE 75 7.995 -8.524 -5.874 599 HD13 ILE 75 HD13 ILE 75 9.207 -9.043 -4.701 600 HA PRO 76 HA PRO 76 7.927 -14.750 -2.617 601 HB2 PRO 76 HB3 PRO 76 10.620 -14.980 -3.807 602 HB3 PRO 76 HB2 PRO 76 9.271 -16.105 -3.884 603 HG2 PRO 76 HG3 PRO 76 9.917 -14.679 -5.973 604 HG3 PRO 76 HG2 PRO 76 8.222 -15.015 -5.574 605 HD2 PRO 76 HD3 PRO 76 9.806 -12.512 -5.167 606 HD3 PRO 76 HD2 PRO 76 8.112 -12.708 -5.667 607 H GLY 77 H GLY 77 8.583 -15.159 -0.594 608 HA2 GLY 77 HA3 GLY 77 10.341 -15.366 1.044 609 HA3 GLY 77 HA2 GLY 77 11.107 -13.955 0.333 610 H THR 78 H THR 78 8.238 -12.788 0.221 611 HA THR 78 HA THR 78 8.348 -11.702 2.943 612 HB THR 78 HB THR 78 8.151 -10.436 0.510 613 HG1 THR 78 HG1 THR 78 7.188 -9.410 2.968 614 HG21 THR 78 HG21 THR 78 5.714 -11.227 0.487 615 HG22 THR 78 HG22 THR 78 6.048 -9.522 0.179 616 HG23 THR 78 HG23 THR 78 5.468 -10.036 1.764 617 H LYS 79 H LYS 79 6.839 -12.161 4.401 618 HA LYS 79 HA LYS 79 4.427 -13.583 3.502 619 HB2 LYS 79 HB3 LYS 79 6.157 -14.587 5.187 620 HB3 LYS 79 HB2 LYS 79 5.359 -13.538 6.351 621 HG2 LYS 79 HG3 LYS 79 4.576 -15.992 6.079 622 HG3 LYS 79 HG2 LYS 79 3.380 -14.706 6.259 623 HD2 LYS 79 HD3 LYS 79 2.835 -16.340 4.461 624 HD3 LYS 79 HD2 LYS 79 2.974 -14.673 3.891 625 HE2 LYS 79 HE3 LYS 79 4.073 -16.331 2.404 626 HE3 LYS 79 HE2 LYS 79 5.168 -15.093 3.016 627 HZ1 LYS 79 HZ1 LYS 79 6.079 -17.375 3.086 628 HZ2 LYS 79 HZ2 LYS 79 4.892 -17.794 4.216 629 HZ3 LYS 79 HZ3 LYS 79 6.052 -16.623 4.594 630 H MET 80 H MET 80 2.520 -13.006 4.104 631 HA MET 80 HA MET 80 2.351 -10.343 5.387 632 HB2 MET 80 HB3 MET 80 0.654 -11.753 3.355 633 HB3 MET 80 HB2 MET 80 -0.077 -10.515 4.369 634 HG2 MET 80 HG3 MET 80 2.435 -9.988 2.828 635 HG3 MET 80 HG2 MET 80 0.843 -9.826 2.088 636 HE1 MET 80 HE1 MET 80 -0.445 -8.226 2.032 637 HE2 MET 80 HE2 MET 80 0.112 -6.576 2.312 638 HE3 MET 80 HE3 MET 80 -0.992 -7.339 3.455 639 H ILE 81 H ILE 81 1.933 -10.315 7.285 640 HA ILE 81 HA ILE 81 0.290 -12.359 8.617 641 HB ILE 81 HB ILE 81 2.380 -10.516 9.782 642 HG12 ILE 81 HG13 ILE 81 3.297 -12.978 10.291 643 HG13 ILE 81 HG12 ILE 81 2.384 -13.336 8.830 644 HG21 ILE 81 HG21 ILE 81 1.357 -12.787 11.354 645 HG22 ILE 81 HG22 ILE 81 0.234 -11.446 11.120 646 HG23 ILE 81 HG23 ILE 81 1.775 -11.163 11.859 647 HD11 ILE 81 HD11 ILE 81 4.435 -12.869 7.953 648 HD12 ILE 81 HD12 ILE 81 4.811 -11.676 9.208 649 HD13 ILE 81 HD13 ILE 81 3.690 -11.270 7.888 650 H PHE 82 H PHE 82 -1.536 -11.885 9.590 651 HA PHE 82 HA PHE 82 -2.988 -10.609 10.715 652 HB2 PHE 82 HB3 PHE 82 -1.001 -9.113 11.279 653 HB3 PHE 82 HB2 PHE 82 -1.579 -8.079 10.021 654 HD1 PHE 82 HD1 PHE 82 -2.145 -9.470 13.348 655 HD2 PHE 82 HD2 PHE 82 -3.544 -6.819 10.327 656 HE1 PHE 82 HE1 PHE 82 -3.697 -8.454 14.964 657 HE2 PHE 82 HE2 PHE 82 -5.116 -5.887 11.895 658 HZ PHE 82 HZ PHE 82 -5.222 -6.698 14.216 659 H ALA 83 H ALA 83 -4.654 -8.962 10.102 660 HA ALA 83 HA ALA 83 -5.186 -7.518 8.025 661 HB1 ALA 83 HB1 ALA 83 -5.900 -9.287 6.201 662 HB2 ALA 83 HB2 ALA 83 -4.612 -10.219 6.960 663 HB3 ALA 83 HB3 ALA 83 -4.264 -8.633 6.274 664 H GLY 84 H GLY 84 -6.887 -7.092 9.467 665 HA2 GLY 84 HA3 GLY 84 -8.903 -9.089 9.973 666 HA3 GLY 84 HA2 GLY 84 -8.945 -7.410 10.489 667 H ILE 85 H ILE 85 -8.349 -7.891 7.206 668 HA ILE 85 HA ILE 85 -11.183 -7.544 6.499 669 HB ILE 85 HB ILE 85 -8.891 -5.910 5.410 670 HG12 ILE 85 HG13 ILE 85 -10.427 -5.518 7.699 671 HG13 ILE 85 HG12 ILE 85 -9.454 -4.305 6.874 672 HG21 ILE 85 HG21 ILE 85 -11.812 -5.857 4.671 673 HG22 ILE 85 HG22 ILE 85 -10.505 -6.492 3.671 674 HG23 ILE 85 HG23 ILE 85 -10.566 -4.771 4.055 675 HD11 ILE 85 HD11 ILE 85 -11.580 -3.995 5.412 676 HD12 ILE 85 HD12 ILE 85 -11.492 -3.265 7.014 677 HD13 ILE 85 HD13 ILE 85 -12.393 -4.761 6.775 678 H LYS 86 H LYS 86 -11.801 -8.339 4.487 679 HA LYS 86 HA LYS 86 -9.811 -9.573 2.771 680 HB2 LYS 86 HB3 LYS 86 -11.418 -11.684 2.820 681 HB3 LYS 86 HB2 LYS 86 -10.076 -11.520 3.944 682 HG2 LYS 86 HG3 LYS 86 -12.350 -10.238 5.070 683 HG3 LYS 86 HG2 LYS 86 -12.823 -11.845 4.518 684 HD2 LYS 86 HD3 LYS 86 -11.356 -12.912 5.945 685 HD3 LYS 86 HD2 LYS 86 -10.288 -11.514 6.060 686 HE2 LYS 86 HE3 LYS 86 -12.394 -10.418 7.193 687 HE3 LYS 86 HE2 LYS 86 -12.825 -12.099 7.509 688 HZ1 LYS 86 HZ1 LYS 86 -10.151 -11.054 8.201 689 HZ2 LYS 86 HZ2 LYS 86 -10.946 -12.415 8.816 690 HZ3 LYS 86 HZ3 LYS 86 -11.461 -10.863 9.256 691 H LYS 87 H LYS 87 -13.202 -8.908 3.443 692 HA LYS 87 HA LYS 87 -14.535 -9.492 1.206 693 HB2 LYS 87 HB3 LYS 87 -14.856 -7.632 3.278 694 HB3 LYS 87 HB2 LYS 87 -15.048 -6.711 1.792 695 HG2 LYS 87 HG3 LYS 87 -17.136 -7.435 1.675 696 HG3 LYS 87 HG2 LYS 87 -16.517 -9.070 1.432 697 HD2 LYS 87 HD3 LYS 87 -16.349 -9.220 3.964 698 HD3 LYS 87 HD2 LYS 87 -17.314 -7.742 4.012 699 HE2 LYS 87 HE3 LYS 87 -18.632 -9.854 4.242 700 HE3 LYS 87 HE2 LYS 87 -19.142 -8.810 2.914 701 HZ1 LYS 87 HZ1 LYS 87 -18.853 -11.335 2.522 702 HZ2 LYS 87 HZ2 LYS 87 -17.205 -10.965 2.408 703 HZ3 LYS 87 HZ3 LYS 87 -18.309 -10.247 1.347 704 H LYS 88 H LYS 88 -14.061 -9.337 -0.881 705 HA LYS 88 HA LYS 88 -12.015 -7.904 -2.026 706 HB2 LYS 88 HB3 LYS 88 -13.172 -9.696 -3.199 707 HB3 LYS 88 HB2 LYS 88 -14.636 -8.726 -3.286 708 HG2 LYS 88 HG3 LYS 88 -13.646 -7.207 -4.811 709 HG3 LYS 88 HG2 LYS 88 -12.039 -7.894 -4.552 710 HD2 LYS 88 HD3 LYS 88 -14.251 -8.830 -6.255 711 HD3 LYS 88 HD2 LYS 88 -12.509 -9.021 -6.450 712 HE2 LYS 88 HE3 LYS 88 -13.466 -11.187 -6.101 713 HE3 LYS 88 HE2 LYS 88 -12.562 -10.743 -4.654 714 HZ1 LYS 88 HZ1 LYS 88 -15.200 -11.539 -4.795 715 HZ2 LYS 88 HZ2 LYS 88 -15.251 -9.884 -4.444 716 HZ3 LYS 88 HZ3 LYS 88 -14.387 -10.934 -3.440 717 H THR 89 H THR 89 -15.337 -6.895 -1.449 718 HA THR 89 HA THR 89 -15.180 -4.454 -2.888 719 HB THR 89 HB THR 89 -17.317 -4.028 -2.119 720 HG1 THR 89 HG1 THR 89 -17.209 -3.828 0.005 721 HG21 THR 89 HG21 THR 89 -17.191 -6.966 -1.512 722 HG22 THR 89 HG22 THR 89 -17.243 -6.300 -3.145 723 HG23 THR 89 HG23 THR 89 -18.588 -6.027 -2.037 724 H GLU 90 H GLU 90 -14.268 -5.354 0.331 725 HA GLU 90 HA GLU 90 -14.040 -2.700 1.376 726 HB2 GLU 90 HB3 GLU 90 -12.790 -5.252 2.408 727 HB3 GLU 90 HB2 GLU 90 -12.993 -3.754 3.305 728 HG2 GLU 90 HG3 GLU 90 -15.453 -4.910 2.180 729 HG3 GLU 90 HG2 GLU 90 -14.675 -5.845 3.456 730 H ARG 91 H ARG 91 -11.819 -5.189 0.230 731 HA ARG 91 HA ARG 91 -9.464 -3.704 0.613 732 HB2 ARG 91 HB3 ARG 91 -9.983 -5.928 -1.303 733 HB3 ARG 91 HB2 ARG 91 -8.442 -5.086 -1.184 734 HG2 ARG 91 HG3 ARG 91 -8.874 -5.697 1.410 735 HG3 ARG 91 HG2 ARG 91 -9.669 -7.067 0.609 736 HD2 ARG 91 HD3 ARG 91 -7.031 -6.875 -0.682 737 HD3 ARG 91 HD2 ARG 91 -6.923 -6.596 1.054 738 HE ARG 91 HE ARG 91 -8.244 -8.719 1.100 739 HH11 ARG 91 HH11 ARG 91 -5.864 -7.780 -1.262 740 HH12 ARG 91 HH12 ARG 91 -5.325 -9.330 -1.534 741 HH21 ARG 91 HH21 ARG 91 -7.560 -10.860 0.705 742 HH22 ARG 91 HH22 ARG 91 -6.304 -11.162 -0.434 743 H GLU 92 H GLU 92 -11.415 -4.121 -2.227 744 HA GLU 92 HA GLU 92 -9.938 -2.462 -3.921 745 HB2 GLU 92 HB3 GLU 92 -11.787 -4.060 -4.569 746 HB3 GLU 92 HB2 GLU 92 -12.931 -2.837 -4.030 747 HG2 GLU 92 HG3 GLU 92 -12.687 -2.708 -6.410 748 HG3 GLU 92 HG2 GLU 92 -11.983 -1.268 -5.675 749 H ASP 93 H ASP 93 -12.607 -1.736 -1.734 750 HA ASP 93 HA ASP 93 -13.066 0.919 -2.484 751 HB2 ASP 93 HB3 ASP 93 -14.629 -0.070 -1.005 752 HB3 ASP 93 HB2 ASP 93 -13.375 -0.529 0.141 753 H GLY 94 H GLY 94 -10.762 -0.374 -0.100 754 HA2 GLY 94 HA3 GLY 94 -9.728 1.958 0.793 755 HA3 GLY 94 HA2 GLY 94 -8.891 0.416 0.821 756 H ILE 95 H ILE 95 -8.896 0.055 -1.889 757 HA ILE 95 HA ILE 95 -6.501 1.275 -2.597 758 HB ILE 95 HB ILE 95 -8.468 -0.375 -3.981 759 HG12 ILE 95 HG13 ILE 95 -5.471 -0.352 -3.642 760 HG13 ILE 95 HG12 ILE 95 -6.631 -1.413 -2.847 761 HG21 ILE 95 HG21 ILE 95 -8.325 0.685 -5.933 762 HG22 ILE 95 HG22 ILE 95 -6.640 0.171 -5.981 763 HG23 ILE 95 HG23 ILE 95 -7.058 1.760 -5.343 764 HD11 ILE 95 HD11 ILE 95 -6.301 -1.395 -5.820 765 HD12 ILE 95 HD12 ILE 95 -7.012 -2.636 -4.787 766 HD13 ILE 95 HD13 ILE 95 -5.270 -2.364 -4.765 767 H ALA 96 H ALA 96 -9.855 2.108 -3.349 768 HA ALA 96 HA ALA 96 -9.420 4.008 -5.300 769 HB1 ALA 96 HB1 ALA 96 -11.628 3.245 -4.835 770 HB2 ALA 96 HB2 ALA 96 -11.629 4.902 -4.624 771 HB3 ALA 96 HB3 ALA 96 -11.618 3.809 -3.239 772 H TYR 97 H TYR 97 -9.687 4.240 -1.770 773 HA TYR 97 HA TYR 97 -9.270 7.010 -1.561 774 HB2 TYR 97 HB3 TYR 97 -10.093 5.886 0.364 775 HB3 TYR 97 HB2 TYR 97 -8.773 4.724 0.346 776 HD1 TYR 97 HD1 TYR 97 -7.825 5.044 2.424 777 HD2 TYR 97 HD2 TYR 97 -8.537 8.418 0.019 778 HE1 TYR 97 HE1 TYR 97 -6.568 6.460 3.973 779 HE2 TYR 97 HE2 TYR 97 -7.286 9.827 1.598 780 HH TYR 97 HH TYR 97 -5.476 8.469 4.238 781 H LEU 98 H LEU 98 -7.075 4.282 -1.754 782 HA LEU 98 HA LEU 98 -4.674 5.623 -1.164 783 HB2 LEU 98 HB3 LEU 98 -5.444 3.031 -1.830 784 HB3 LEU 98 HB2 LEU 98 -4.384 3.512 -3.140 785 HG LEU 98 HG LEU 98 -3.606 3.708 -0.235 786 HD11 LEU 98 HD11 LEU 98 -2.134 1.667 -1.336 787 HD12 LEU 98 HD12 LEU 98 -3.742 1.406 -2.024 788 HD13 LEU 98 HD13 LEU 98 -3.517 1.477 -0.259 789 HD21 LEU 98 HD21 LEU 98 -2.104 3.933 -2.833 790 HD22 LEU 98 HD22 LEU 98 -1.312 3.714 -1.273 791 HD23 LEU 98 HD23 LEU 98 -2.285 5.154 -1.573 792 H LYS 99 H LYS 99 -6.521 5.254 -4.125 793 HA LYS 99 HA LYS 99 -4.611 6.109 -5.973 794 HB2 LYS 99 HB3 LYS 99 -7.565 6.704 -6.148 795 HB3 LYS 99 HB2 LYS 99 -6.429 6.502 -7.475 796 HG2 LYS 99 HG3 LYS 99 -7.376 4.361 -5.584 797 HG3 LYS 99 HG2 LYS 99 -7.828 4.552 -7.279 798 HD2 LYS 99 HD3 LYS 99 -6.128 2.871 -6.595 799 HD3 LYS 99 HD2 LYS 99 -5.202 4.446 -7.608 800 HE2 LYS 99 HE3 LYS 99 -4.008 3.713 -5.885 801 HE3 LYS 99 HE2 LYS 99 -5.445 3.861 -4.874 802 HZ1 LYS 99 HZ1 LYS 99 -4.089 1.622 -5.570 803 HZ2 LYS 99 HZ2 LYS 99 -5.603 1.577 -6.320 804 HZ3 LYS 99 HZ3 LYS 99 -5.497 1.761 -4.643 805 H LYS 100 H LYS 100 -6.947 7.969 -4.057 806 HA LYS 100 HA LYS 100 -6.106 10.483 -5.159 807 HB2 LYS 100 HB3 LYS 100 -8.166 10.934 -4.386 808 HB3 LYS 100 HB2 LYS 100 -8.153 9.528 -3.332 809 HG2 LYS 100 HG3 LYS 100 -6.828 10.831 -1.691 810 HG3 LYS 100 HG2 LYS 100 -7.008 12.245 -2.731 811 HD2 LYS 100 HD3 LYS 100 -9.176 10.711 -1.308 812 HD3 LYS 100 HD2 LYS 100 -8.685 12.386 -1.044 813 HE2 LYS 100 HE3 LYS 100 -9.760 11.420 -3.679 814 HE3 LYS 100 HE2 LYS 100 -10.813 11.998 -2.389 815 HZ1 LYS 100 HZ1 LYS 100 -9.376 13.501 -4.269 816 HZ2 LYS 100 HZ2 LYS 100 -8.772 13.869 -2.732 817 HZ3 LYS 100 HZ3 LYS 100 -10.422 14.055 -3.059 818 H ALA 101 H ALA 101 -5.456 8.606 -2.297 819 HA ALA 101 HA ALA 101 -4.080 10.444 -0.730 820 HB1 ALA 101 HB1 ALA 101 -3.306 7.555 -0.785 821 HB2 ALA 101 HB2 ALA 101 -4.891 8.048 -0.189 822 HB3 ALA 101 HB3 ALA 101 -3.427 8.653 0.590 823 H THR 102 H THR 102 -3.087 8.680 -3.537 824 HA THR 102 HA THR 102 -0.312 9.565 -3.149 825 HB THR 102 HB THR 102 -0.244 7.298 -3.758 826 HG1 THR 102 HG1 THR 102 0.891 7.452 -5.523 827 HG21 THR 102 HG21 THR 102 -2.737 7.864 -5.146 828 HG22 THR 102 HG22 THR 102 -2.151 6.369 -4.419 829 HG23 THR 102 HG23 THR 102 -1.648 6.814 -6.051 830 H ASN 103 H ASN 103 -3.242 10.055 -4.797 831 HA ASN 103 HA ASN 103 -2.241 12.471 -5.964 832 HB2 ASN 103 HB3 ASN 103 -3.624 10.776 -7.976 833 HB3 ASN 103 HB2 ASN 103 -2.385 12.005 -8.204 834 HD21 ASN 103 HD21 ASN 103 -2.975 8.692 -7.229 835 HD22 ASN 103 HD22 ASN 103 -1.377 8.115 -7.539 836 H GLU 104 H GLU 104 -3.785 13.909 -5.241 837 HA GLU 104 HA GLU 104 -6.211 14.450 -6.127 838 HB2 GLU 104 HB3 GLU 104 -6.376 12.070 -4.351 839 HB3 GLU 104 HB2 GLU 104 -7.662 13.262 -4.251 840 HG2 GLU 104 HG3 GLU 104 -7.000 12.521 -6.986 841 HG3 GLU 104 HG2 GLU 104 -7.549 11.162 -6.006 842 HHA HEC 201 HHA HEC 201 5.115 -4.976 0.438 843 HHB HEC 201 HHB HEC 201 -0.262 -2.294 0.302 844 HHC HEC 201 HHC HEC 201 -1.883 -5.949 5.187 845 HHD HEC 201 HHD HEC 201 4.056 -5.680 6.757 846 HMA1 HEC 201 HMA1 HEC 201 0.859 -1.048 -1.092 847 HMA2 HEC 201 HMA2 HEC 201 2.438 -0.395 -0.669 848 HMA3 HEC 201 HMA3 HEC 201 2.269 -1.482 -1.405 849 HAA1 HEC 201 HAA1 HEC 201 4.931 -3.057 -1.482 850 HAA2 HEC 201 HAA2 HEC 201 5.527 -2.425 0.062 851 HBA1 HEC 201 HBA1 HEC 201 4.033 -0.430 -0.229 852 HBA2 HEC 201 HBA2 HEC 201 3.775 -0.965 -1.822 853 HMB1 HEC 201 HMB1 HEC 201 -3.430 -1.775 2.015 854 HMB2 HEC 201 HMB2 HEC 201 -3.525 -3.059 0.790 855 HMB3 HEC 201 HMB3 HEC 201 -2.256 -1.808 0.677 856 HAB HEC 201 HAB HEC 201 -3.732 -3.109 4.520 857 HBB1 HEC 201 HBB1 HEC 201 -5.188 -5.070 2.732 858 HBB2 HEC 201 HBB2 HEC 201 -4.540 -3.578 2.021 859 HBB3 HEC 201 HBB3 HEC 201 -5.653 -3.490 3.418 860 HMC1 HEC 201 HMC1 HEC 201 -0.936 -7.380 8.515 861 HMC2 HEC 201 HMC2 HEC 201 -1.734 -7.554 6.929 862 HMC3 HEC 201 HMC3 HEC 201 -0.583 -8.140 7.259 863 HAC HEC 201 HAC HEC 201 2.991 -6.684 8.251 864 HBC1 HEC 201 HBC1 HEC 201 3.264 -9.072 7.694 865 HBC2 HEC 201 HBC2 HEC 201 1.612 -9.381 8.266 866 HBC3 HEC 201 HBC3 HEC 201 2.865 -8.831 9.413 867 HMD1 HEC 201 HMD1 HEC 201 5.976 -6.885 6.345 868 HMD2 HEC 201 HMD2 HEC 201 7.123 -5.592 5.940 869 HMD3 HEC 201 HMD3 HEC 201 7.211 -7.161 5.089 870 HAD1 HEC 201 HAD1 HEC 201 7.909 -6.171 3.108 871 HAD2 HEC 201 HAD2 HEC 201 7.502 -4.746 2.140 872 HBD1 HEC 201 HBD1 HEC 201 7.801 -7.409 1.249 873 HBD2 HEC 201 HBD2 HEC 201 7.261 -6.006 0.309 Start of MODEL 3 1 H1 GLY 1 1H GLY 1 -19.360 3.896 -0.460 2 H2 GLY 1 2H GLY 1 -18.748 3.368 -1.944 3 H3 GLY 1 3H GLY 1 -18.920 5.022 -1.644 4 HA2 GLY 1 HA2 GLY 1 -17.291 3.658 0.300 5 HA3 GLY 1 HA3 GLY 1 -16.635 3.616 -1.330 6 H ASP 2 H ASP 2 -16.581 5.293 1.479 7 HA ASP 2 HA ASP 2 -16.000 7.846 0.127 8 HB2 ASP 2 HB3 ASP 2 -16.613 7.555 3.063 9 HB3 ASP 2 HB2 ASP 2 -16.655 9.015 2.078 10 H VAL 3 H VAL 3 -14.233 9.117 1.001 11 HA VAL 3 HA VAL 3 -11.876 7.620 1.328 12 HB VAL 3 HB VAL 3 -12.570 10.505 1.455 13 HG11 VAL 3 HG11 VAL 3 -11.246 10.582 3.359 14 HG12 VAL 3 HG12 VAL 3 -10.088 10.898 2.067 15 HG13 VAL 3 HG13 VAL 3 -10.182 9.293 2.793 16 HG21 VAL 3 HG21 VAL 3 -11.811 10.224 -0.625 17 HG22 VAL 3 HG22 VAL 3 -11.086 8.662 -0.236 18 HG23 VAL 3 HG23 VAL 3 -10.200 10.152 0.090 19 H GLU 4 H GLU 4 -13.918 9.337 3.655 20 HA GLU 4 HA GLU 4 -12.284 9.072 5.907 21 HB2 GLU 4 HB3 GLU 4 -14.205 10.539 5.931 22 HB3 GLU 4 HB2 GLU 4 -15.295 9.182 5.682 23 HG2 GLU 4 HG3 GLU 4 -14.408 8.283 7.894 24 HG3 GLU 4 HG2 GLU 4 -13.720 9.887 8.132 25 H LYS 5 H LYS 5 -14.819 6.926 4.655 26 HA LYS 5 HA LYS 5 -14.646 5.010 6.718 27 HB2 LYS 5 HB3 LYS 5 -15.507 4.570 3.853 28 HB3 LYS 5 HB2 LYS 5 -15.898 3.550 5.229 29 HG2 LYS 5 HG3 LYS 5 -16.812 6.005 6.032 30 HG3 LYS 5 HG2 LYS 5 -17.157 6.003 4.300 31 HD2 LYS 5 HD3 LYS 5 -17.828 3.504 5.685 32 HD3 LYS 5 HD2 LYS 5 -18.762 4.908 6.208 33 HE2 LYS 5 HE3 LYS 5 -20.027 4.740 4.395 34 HE3 LYS 5 HE2 LYS 5 -18.606 4.980 3.381 35 HZ1 LYS 5 HZ1 LYS 5 -20.129 2.643 3.738 36 HZ2 LYS 5 HZ2 LYS 5 -18.553 2.346 4.273 37 HZ3 LYS 5 HZ3 LYS 5 -18.819 2.902 2.698 38 H GLY 6 H GLY 6 -12.966 5.373 3.641 39 HA2 GLY 6 HA3 GLY 6 -11.695 2.859 3.588 40 HA3 GLY 6 HA2 GLY 6 -11.131 4.308 2.771 41 H LYS 7 H LYS 7 -10.687 5.954 4.961 42 HA LYS 7 HA LYS 7 -8.095 5.239 5.624 43 HB2 LYS 7 HB3 LYS 7 -8.507 7.507 5.837 44 HB3 LYS 7 HB2 LYS 7 -10.025 7.257 6.690 45 HG2 LYS 7 HG3 LYS 7 -7.871 6.210 8.254 46 HG3 LYS 7 HG2 LYS 7 -7.510 7.871 7.776 47 HD2 LYS 7 HD3 LYS 7 -10.188 7.930 8.508 48 HD3 LYS 7 HD2 LYS 7 -9.434 6.871 9.701 49 HE2 LYS 7 HE3 LYS 7 -8.931 8.792 10.751 50 HE3 LYS 7 HE2 LYS 7 -7.621 8.882 9.574 51 HZ1 LYS 7 HZ1 LYS 7 -8.547 10.901 9.232 52 HZ2 LYS 7 HZ2 LYS 7 -10.093 10.421 9.722 53 HZ3 LYS 7 HZ3 LYS 7 -9.536 10.022 8.176 54 H LYS 8 H LYS 8 -10.861 4.953 7.481 55 HA LYS 8 HA LYS 8 -9.913 3.842 9.898 56 HB2 LYS 8 HB3 LYS 8 -12.052 4.584 10.184 57 HB3 LYS 8 HB2 LYS 8 -12.543 4.126 8.560 58 HG2 LYS 8 HG3 LYS 8 -11.941 1.925 10.436 59 HG3 LYS 8 HG2 LYS 8 -13.398 2.869 10.748 60 HD2 LYS 8 HD3 LYS 8 -14.302 2.344 8.622 61 HD3 LYS 8 HD2 LYS 8 -12.762 1.697 8.050 62 HE2 LYS 8 HE3 LYS 8 -14.014 0.452 10.442 63 HE3 LYS 8 HE2 LYS 8 -14.725 0.119 8.862 64 HZ1 LYS 8 HZ1 LYS 8 -11.844 -0.251 9.459 65 HZ2 LYS 8 HZ2 LYS 8 -12.692 -0.789 8.098 66 HZ3 LYS 8 HZ3 LYS 8 -12.988 -1.489 9.608 67 H ILE 9 H ILE 9 -11.008 2.399 6.868 68 HA ILE 9 HA ILE 9 -11.038 -0.281 7.702 69 HB ILE 9 HB ILE 9 -10.827 1.074 5.054 70 HG12 ILE 9 HG13 ILE 9 -12.673 -1.066 6.142 71 HG13 ILE 9 HG12 ILE 9 -13.010 0.663 6.157 72 HG21 ILE 9 HG21 ILE 9 -10.566 -1.911 5.314 73 HG22 ILE 9 HG22 ILE 9 -9.184 -0.840 5.081 74 HG23 ILE 9 HG23 ILE 9 -10.447 -0.931 3.853 75 HD11 ILE 9 HD11 ILE 9 -13.169 -1.281 3.963 76 HD12 ILE 9 HD12 ILE 9 -12.507 0.298 3.539 77 HD13 ILE 9 HD13 ILE 9 -14.111 0.179 4.265 78 H PHE 10 H PHE 10 -8.477 1.678 6.233 79 HA PHE 10 HA PHE 10 -6.532 -0.368 6.095 80 HB2 PHE 10 HB3 PHE 10 -5.939 1.403 4.760 81 HB3 PHE 10 HB2 PHE 10 -6.528 2.602 5.904 82 HD1 PHE 10 HD1 PHE 10 -3.678 1.343 4.423 83 HD2 PHE 10 HD2 PHE 10 -5.155 2.552 8.227 84 HE1 PHE 10 HE1 PHE 10 -1.374 1.736 5.189 85 HE2 PHE 10 HE2 PHE 10 -2.852 2.948 9.001 86 HZ PHE 10 HZ PHE 10 -0.958 2.540 7.480 87 H VAL 11 H VAL 11 -7.383 1.961 8.579 88 HA VAL 11 HA VAL 11 -5.217 1.797 10.258 89 HB VAL 11 HB VAL 11 -8.137 2.050 10.965 90 HG11 VAL 11 HG11 VAL 11 -5.693 2.238 12.701 91 HG12 VAL 11 HG12 VAL 11 -7.151 1.281 12.956 92 HG13 VAL 11 HG13 VAL 11 -7.208 3.036 13.120 93 HG21 VAL 11 HG21 VAL 11 -6.251 3.820 9.811 94 HG22 VAL 11 HG22 VAL 11 -6.589 4.389 11.446 95 HG23 VAL 11 HG23 VAL 11 -7.911 4.155 10.301 96 H GLN 12 H GLN 12 -8.260 -0.404 10.298 97 HA GLN 12 HA GLN 12 -6.952 -2.118 12.324 98 HB2 GLN 12 HB3 GLN 12 -9.282 -3.322 11.065 99 HB3 GLN 12 HB2 GLN 12 -9.032 -2.885 12.749 100 HG2 GLN 12 HG3 GLN 12 -9.429 -0.448 11.606 101 HG3 GLN 12 HG2 GLN 12 -10.475 -1.481 10.633 102 HE21 GLN 12 HE21 GLN 12 -12.241 -0.299 11.539 103 HE22 GLN 12 HE22 GLN 12 -12.835 -0.690 13.112 104 H LYS 13 H LYS 13 -8.024 -2.192 9.144 105 HA LYS 13 HA LYS 13 -7.496 -4.146 7.637 106 HB2 LYS 13 HB3 LYS 13 -7.101 -1.410 7.409 107 HB3 LYS 13 HB2 LYS 13 -5.598 -2.126 6.849 108 HG2 LYS 13 HG3 LYS 13 -8.262 -2.136 5.631 109 HG3 LYS 13 HG2 LYS 13 -6.666 -2.230 4.884 110 HD2 LYS 13 HD3 LYS 13 -6.562 -4.614 5.743 111 HD3 LYS 13 HD2 LYS 13 -8.279 -4.452 6.117 112 HE2 LYS 13 HE3 LYS 13 -7.004 -5.003 3.602 113 HE3 LYS 13 HE2 LYS 13 -8.715 -5.058 4.024 114 HZ1 LYS 13 HZ1 LYS 13 -8.907 -2.725 3.566 115 HZ2 LYS 13 HZ2 LYS 13 -8.211 -3.482 2.223 116 HZ3 LYS 13 HZ3 LYS 13 -7.244 -2.587 3.283 117 H CYS 14 H CYS 14 -4.798 -2.480 9.124 118 HA CYS 14 HA CYS 14 -3.064 -4.449 9.531 119 HB2 CYS 14 HB3 CYS 14 -1.704 -4.914 7.626 120 HB3 CYS 14 HB2 CYS 14 -3.198 -5.662 7.728 121 H ALA 15 H ALA 15 -3.649 -1.456 9.711 122 HA ALA 15 HA ALA 15 -1.538 -0.116 8.528 123 HB1 ALA 15 HB1 ALA 15 -2.783 0.729 11.132 124 HB2 ALA 15 HB2 ALA 15 -3.611 0.871 9.583 125 HB3 ALA 15 HB3 ALA 15 -2.108 1.751 9.863 126 H GLN 16 H GLN 16 -1.626 -1.905 11.525 127 HA GLN 16 HA GLN 16 0.596 -0.895 12.839 128 HB2 GLN 16 HB3 GLN 16 0.320 -3.834 12.895 129 HB3 GLN 16 HB2 GLN 16 0.382 -2.681 14.223 130 HG2 GLN 16 HG3 GLN 16 -1.984 -2.030 13.553 131 HG3 GLN 16 HG2 GLN 16 -1.978 -3.489 12.562 132 HE21 GLN 16 HE21 GLN 16 -0.813 -2.681 15.820 133 HE22 GLN 16 HE22 GLN 16 -1.628 -3.977 16.618 134 H CYS 17 H CYS 17 0.397 -3.137 10.144 135 HA CYS 17 HA CYS 17 3.196 -3.774 10.157 136 HB2 CYS 17 HB3 CYS 17 1.357 -4.139 7.804 137 HB3 CYS 17 HB2 CYS 17 2.757 -5.103 8.264 138 H HIS 18 H HIS 18 1.254 -1.237 8.916 139 HA HIS 18 HA HIS 18 3.459 -0.334 7.189 140 HB2 HIS 18 HB3 HIS 18 0.552 0.489 7.094 141 HB3 HIS 18 HB2 HIS 18 1.813 0.995 5.974 142 HD1 HIS 18 HD1 HIS 18 1.540 -0.188 3.830 143 HD2 HIS 18 HD2 HIS 18 0.603 -2.628 7.058 144 HE1 HIS 18 HE1 HIS 18 0.945 -2.420 2.836 145 H THR 19 H THR 19 2.958 0.002 10.170 146 HA THR 19 HA THR 19 3.121 1.608 11.775 147 HB THR 19 HB THR 19 4.571 3.104 9.585 148 HG1 THR 19 HG1 THR 19 6.399 2.037 10.353 149 HG21 THR 19 HG21 THR 19 5.019 3.236 12.551 150 HG22 THR 19 HG22 THR 19 4.094 4.425 11.633 151 HG23 THR 19 HG23 THR 19 5.808 4.192 11.299 152 H VAL 20 H VAL 20 2.483 3.747 12.473 153 HA VAL 20 HA VAL 20 0.069 4.600 11.126 154 HB VAL 20 HB VAL 20 1.174 5.943 13.568 155 HG11 VAL 20 HG11 VAL 20 -0.969 6.586 12.235 156 HG12 VAL 20 HG12 VAL 20 -1.017 6.541 13.998 157 HG13 VAL 20 HG13 VAL 20 -1.677 5.199 13.064 158 HG21 VAL 20 HG21 VAL 20 0.173 4.250 14.982 159 HG22 VAL 20 HG22 VAL 20 1.382 3.513 13.931 160 HG23 VAL 20 HG23 VAL 20 -0.335 3.331 13.566 161 H GLU 21 H GLU 21 0.601 7.337 12.445 162 HA GLU 21 HA GLU 21 1.308 8.694 10.073 163 HB2 GLU 21 HB3 GLU 21 1.666 10.303 12.458 164 HB3 GLU 21 HB2 GLU 21 0.500 10.478 11.154 165 HG2 GLU 21 HG3 GLU 21 -0.939 8.814 12.221 166 HG3 GLU 21 HG2 GLU 21 0.230 8.653 13.531 167 H LYS 22 H LYS 22 3.144 9.829 9.501 168 HA LYS 22 HA LYS 22 5.604 8.699 10.034 169 HB2 LYS 22 HB3 LYS 22 4.906 10.342 8.172 170 HB3 LYS 22 HB2 LYS 22 5.321 11.607 9.320 171 HG2 LYS 22 HG3 LYS 22 7.144 9.515 8.163 172 HG3 LYS 22 HG2 LYS 22 7.196 11.259 7.902 173 HD2 LYS 22 HD3 LYS 22 7.723 9.820 10.500 174 HD3 LYS 22 HD2 LYS 22 8.928 10.591 9.468 175 HE2 LYS 22 HE3 LYS 22 7.982 12.758 9.883 176 HE3 LYS 22 HE2 LYS 22 6.624 12.046 10.755 177 HZ1 LYS 22 HZ1 LYS 22 9.111 12.832 11.766 178 HZ2 LYS 22 HZ2 LYS 22 8.992 11.154 11.948 179 HZ3 LYS 22 HZ3 LYS 22 7.805 12.163 12.606 180 H GLY 23 H GLY 23 6.837 8.670 11.766 181 HA2 GLY 23 HA3 GLY 23 7.978 10.540 13.234 182 HA3 GLY 23 HA2 GLY 23 6.356 10.596 13.910 183 H GLY 24 H GLY 24 5.911 7.728 13.558 184 HA2 GLY 24 HA3 GLY 24 7.096 6.867 16.039 185 HA3 GLY 24 HA2 GLY 24 5.995 5.941 15.029 186 H LYS 25 H LYS 25 6.937 4.061 14.573 187 HA LYS 25 HA LYS 25 9.789 4.069 13.847 188 HB2 LYS 25 HB3 LYS 25 8.641 1.441 14.327 189 HB3 LYS 25 HB2 LYS 25 10.063 2.191 15.039 190 HG2 LYS 25 HG3 LYS 25 8.930 2.943 16.858 191 HG3 LYS 25 HG2 LYS 25 7.416 3.135 15.973 192 HD2 LYS 25 HD3 LYS 25 8.644 0.533 16.883 193 HD3 LYS 25 HD2 LYS 25 7.230 1.323 17.581 194 HE2 LYS 25 HE3 LYS 25 5.911 0.330 16.100 195 HE3 LYS 25 HE2 LYS 25 6.831 1.038 14.772 196 HZ1 LYS 25 HZ1 LYS 25 6.880 -1.644 15.810 197 HZ2 LYS 25 HZ2 LYS 25 8.423 -0.984 15.596 198 HZ3 LYS 25 HZ3 LYS 25 7.349 -1.062 14.290 199 H HIS 26 H HIS 26 10.472 2.654 12.115 200 HA HIS 26 HA HIS 26 8.876 2.896 9.809 201 HB2 HIS 26 HB3 HIS 26 10.791 0.809 9.434 202 HB3 HIS 26 HB2 HIS 26 10.832 2.458 8.823 203 HD1 HIS 26 HD1 HIS 26 11.567 0.809 12.185 204 HD2 HIS 26 HD2 HIS 26 13.086 3.696 9.613 205 HE1 HIS 26 HE1 HIS 26 13.663 1.656 13.287 206 HE2 HIS 26 HE2 HIS 26 14.513 3.468 11.758 207 H LYS 27 H LYS 27 7.612 1.468 8.701 208 HA LYS 27 HA LYS 27 6.557 -0.753 10.239 209 HB2 LYS 27 HB3 LYS 27 4.700 -0.655 8.879 210 HB3 LYS 27 HB2 LYS 27 5.255 1.010 8.787 211 HG2 LYS 27 HG3 LYS 27 6.608 -0.266 6.737 212 HG3 LYS 27 HG2 LYS 27 4.991 -0.970 6.701 213 HD2 LYS 27 HD3 LYS 27 5.428 1.168 5.332 214 HD3 LYS 27 HD2 LYS 27 3.970 1.091 6.323 215 HE2 LYS 27 HE3 LYS 27 4.620 2.818 7.568 216 HE3 LYS 27 HE2 LYS 27 6.222 2.122 7.817 217 HZ1 LYS 27 HZ1 LYS 27 7.003 3.090 5.827 218 HZ2 LYS 27 HZ2 LYS 27 6.163 4.315 6.638 219 HZ3 LYS 27 HZ3 LYS 27 5.446 3.525 5.325 220 H THR 28 H THR 28 5.959 -2.765 8.868 221 HA THR 28 HA THR 28 8.389 -3.984 8.059 222 HB THR 28 HB THR 28 5.776 -5.199 7.303 223 HG1 THR 28 HG1 THR 28 6.595 -5.210 9.994 224 HG21 THR 28 HG21 THR 28 6.730 -7.213 7.896 225 HG22 THR 28 HG22 THR 28 7.912 -6.457 8.964 226 HG23 THR 28 HG23 THR 28 8.092 -6.323 7.215 227 H GLY 29 H GLY 29 5.618 -2.671 6.310 228 HA2 GLY 29 HA3 GLY 29 7.227 -2.809 3.846 229 HA3 GLY 29 HA2 GLY 29 5.563 -3.371 3.837 230 HA PRO 30 HA PRO 30 6.401 1.437 3.056 231 HB2 PRO 30 HB3 PRO 30 5.337 0.424 0.446 232 HB3 PRO 30 HB2 PRO 30 6.449 1.762 0.762 233 HG2 PRO 30 HG3 PRO 30 7.358 -0.588 -0.104 234 HG3 PRO 30 HG2 PRO 30 8.260 0.355 1.096 235 HD2 PRO 30 HD3 PRO 30 6.681 -2.132 1.445 236 HD3 PRO 30 HD2 PRO 30 8.073 -1.536 2.370 237 H ASN 31 H ASN 31 4.748 2.470 3.965 238 HA ASN 31 HA ASN 31 2.197 1.472 4.362 239 HB2 ASN 31 HB3 ASN 31 3.481 3.594 5.323 240 HB3 ASN 31 HB2 ASN 31 2.521 4.424 4.103 241 HD21 ASN 31 HD21 ASN 31 1.842 5.354 6.308 242 HD22 ASN 31 HD22 ASN 31 0.441 4.634 7.015 243 H LEU 32 H LEU 32 3.071 4.058 2.059 244 HA LEU 32 HA LEU 32 1.599 2.995 -0.012 245 HB2 LEU 32 HB3 LEU 32 -0.298 4.504 -0.251 246 HB3 LEU 32 HB2 LEU 32 -0.334 3.544 1.218 247 HG LEU 32 HG LEU 32 -1.384 5.673 1.781 248 HD11 LEU 32 HD11 LEU 32 1.280 5.301 2.722 249 HD12 LEU 32 HD12 LEU 32 -0.147 4.620 3.501 250 HD13 LEU 32 HD13 LEU 32 0.376 6.362 3.522 251 HD21 LEU 32 HD21 LEU 32 -0.611 7.635 1.019 252 HD22 LEU 32 HD22 LEU 32 0.059 6.559 -0.207 253 HD23 LEU 32 HD23 LEU 32 1.050 7.077 1.163 254 H HIS 33 H HIS 33 3.075 5.705 1.509 255 HA HIS 33 HA HIS 33 3.144 7.631 -0.445 256 HB2 HIS 33 HB3 HIS 33 4.460 7.180 1.978 257 HB3 HIS 33 HB2 HIS 33 5.755 7.365 0.796 258 HD1 HIS 33 HD1 HIS 33 6.385 9.636 1.935 259 HD2 HIS 33 HD2 HIS 33 2.600 9.535 0.221 260 HE1 HIS 33 HE1 HIS 33 5.640 12.034 1.807 261 HE2 HIS 33 HE2 HIS 33 3.314 11.942 0.844 262 H GLY 34 H GLY 34 3.883 7.715 -2.459 263 HA2 GLY 34 HA3 GLY 34 5.192 7.322 -4.313 264 HA3 GLY 34 HA2 GLY 34 6.362 6.546 -3.256 265 H LEU 35 H LEU 35 3.181 5.324 -3.043 266 HA LEU 35 HA LEU 35 3.915 2.728 -3.802 267 HB2 LEU 35 HB3 LEU 35 1.985 3.322 -2.349 268 HB3 LEU 35 HB2 LEU 35 1.139 3.915 -3.765 269 HG LEU 35 HG LEU 35 1.083 1.685 -4.721 270 HD11 LEU 35 HD11 LEU 35 2.253 -0.096 -3.980 271 HD12 LEU 35 HD12 LEU 35 2.122 0.384 -2.287 272 HD13 LEU 35 HD13 LEU 35 3.313 1.157 -3.333 273 HD21 LEU 35 HD21 LEU 35 0.094 2.047 -1.920 274 HD22 LEU 35 HD22 LEU 35 -0.185 0.533 -2.784 275 HD23 LEU 35 HD23 LEU 35 -0.811 2.050 -3.434 276 H PHE 36 H PHE 36 2.097 5.216 -5.572 277 HA PHE 36 HA PHE 36 2.465 3.638 -8.027 278 HB2 PHE 36 HB3 PHE 36 0.577 5.938 -7.964 279 HB3 PHE 36 HB2 PHE 36 0.453 4.406 -8.821 280 HD1 PHE 36 HD1 PHE 36 -0.579 2.500 -7.812 281 HD2 PHE 36 HD2 PHE 36 -0.058 6.103 -5.608 282 HE1 PHE 36 HE1 PHE 36 -2.113 1.660 -6.082 283 HE2 PHE 36 HE2 PHE 36 -1.590 5.267 -3.873 284 HZ PHE 36 HZ PHE 36 -2.619 3.043 -4.111 285 H GLY 37 H GLY 37 4.191 5.750 -6.545 286 HA2 GLY 37 HA3 GLY 37 4.704 7.394 -8.947 287 HA3 GLY 37 HA2 GLY 37 4.826 8.046 -7.320 288 H ARG 38 H ARG 38 6.110 5.818 -6.118 289 HA ARG 38 HA ARG 38 8.805 6.274 -7.107 290 HB2 ARG 38 HB3 ARG 38 7.750 4.906 -4.630 291 HB3 ARG 38 HB2 ARG 38 9.459 5.013 -5.030 292 HG2 ARG 38 HG3 ARG 38 9.116 7.535 -5.105 293 HG3 ARG 38 HG2 ARG 38 7.568 7.229 -4.317 294 HD2 ARG 38 HD3 ARG 38 8.558 6.996 -2.341 295 HD3 ARG 38 HD2 ARG 38 9.653 5.775 -2.985 296 HE ARG 38 HE ARG 38 11.252 7.373 -2.736 297 HH11 ARG 38 HH11 ARG 38 8.314 8.917 -3.785 298 HH12 ARG 38 HH12 ARG 38 9.031 10.489 -3.913 299 HH21 ARG 38 HH21 ARG 38 12.207 9.438 -2.899 300 HH22 ARG 38 HH22 ARG 38 11.246 10.783 -3.409 301 H LYS 39 H LYS 39 10.326 4.333 -7.078 302 HA LYS 39 HA LYS 39 9.579 2.534 -9.043 303 HB2 LYS 39 HB3 LYS 39 11.921 3.014 -8.450 304 HB3 LYS 39 HB2 LYS 39 11.715 2.131 -6.943 305 HG2 LYS 39 HG3 LYS 39 12.691 1.080 -9.257 306 HG3 LYS 39 HG2 LYS 39 11.996 0.142 -7.934 307 HD2 LYS 39 HD3 LYS 39 11.025 -0.512 -10.074 308 HD3 LYS 39 HD2 LYS 39 9.805 0.222 -9.029 309 HE2 LYS 39 HE3 LYS 39 10.375 2.405 -10.248 310 HE3 LYS 39 HE2 LYS 39 11.156 1.376 -11.444 311 HZ1 LYS 39 HZ1 LYS 39 9.185 0.568 -12.172 312 HZ2 LYS 39 HZ2 LYS 39 8.623 2.063 -11.612 313 HZ3 LYS 39 HZ3 LYS 39 8.434 0.677 -10.660 314 H THR 40 H THR 40 10.711 0.938 -6.168 315 HA THR 40 HA THR 40 8.127 -0.039 -5.365 316 HB THR 40 HB THR 40 8.626 -2.307 -5.138 317 HG1 THR 40 HG1 THR 40 10.104 -3.502 -6.049 318 HG21 THR 40 HG21 THR 40 8.304 -2.065 -7.889 319 HG22 THR 40 HG22 THR 40 8.590 -2.902 -6.678 320 HG23 THR 40 HG23 THR 40 7.199 -2.920 -6.375 321 H GLY 41 H GLY 41 8.066 0.449 -3.569 322 HA2 GLY 41 HA3 GLY 41 8.567 0.506 -1.330 323 HA3 GLY 41 HA2 GLY 41 9.234 -1.096 -1.589 324 H GLN 42 H GLN 42 10.429 1.915 -2.996 325 HA GLN 42 HA GLN 42 12.993 1.414 -1.664 326 HB2 GLN 42 HB3 GLN 42 13.469 3.439 -3.451 327 HB3 GLN 42 HB2 GLN 42 13.726 1.730 -3.762 328 HG2 GLN 42 HG3 GLN 42 12.479 2.879 -5.547 329 HG3 GLN 42 HG2 GLN 42 11.590 1.540 -4.825 330 HE21 GLN 42 HE21 GLN 42 9.521 2.036 -4.836 331 HE22 GLN 42 HE22 GLN 42 8.833 3.541 -4.344 332 H ALA 43 H ALA 43 11.061 2.466 -0.014 333 HA ALA 43 HA ALA 43 10.844 5.222 0.165 334 HB1 ALA 43 HB1 ALA 43 10.966 4.406 2.799 335 HB2 ALA 43 HB2 ALA 43 10.441 2.959 1.939 336 HB3 ALA 43 HB3 ALA 43 9.523 4.457 1.789 337 HA PRO 44 HA PRO 44 14.686 6.747 1.707 338 HB2 PRO 44 HB3 PRO 44 14.057 8.430 3.694 339 HB3 PRO 44 HB2 PRO 44 13.544 8.734 2.030 340 HG2 PRO 44 HG3 PRO 44 11.980 7.594 4.313 341 HG3 PRO 44 HG2 PRO 44 11.482 8.789 3.101 342 HD2 PRO 44 HD3 PRO 44 10.854 6.117 2.978 343 HD3 PRO 44 HD2 PRO 44 10.957 7.178 1.560 344 H GLY 45 H GLY 45 13.790 7.329 4.923 345 HA2 GLY 45 HA3 GLY 45 15.831 5.622 5.946 346 HA3 GLY 45 HA2 GLY 45 14.691 6.563 6.899 347 H PHE 46 H PHE 46 13.005 4.696 4.728 348 HA PHE 46 HA PHE 46 12.106 2.917 6.814 349 HB2 PHE 46 HB3 PHE 46 10.484 3.908 5.269 350 HB3 PHE 46 HB2 PHE 46 11.285 3.120 3.911 351 HD1 PHE 46 HD1 PHE 46 9.491 2.420 7.081 352 HD2 PHE 46 HD2 PHE 46 10.658 0.979 3.255 353 HE1 PHE 46 HE1 PHE 46 8.057 0.447 7.393 354 HE2 PHE 46 HE2 PHE 46 9.226 -0.997 3.557 355 HZ PHE 46 HZ PHE 46 7.924 -1.267 5.627 356 H THR 47 H THR 47 12.557 0.795 7.047 357 HA THR 47 HA THR 47 14.747 -0.288 5.519 358 HB THR 47 HB THR 47 13.817 -0.646 8.098 359 HG1 THR 47 HG1 THR 47 15.523 -2.154 8.207 360 HG21 THR 47 HG21 THR 47 13.504 -3.119 8.246 361 HG22 THR 47 HG22 THR 47 13.222 -3.121 6.505 362 HG23 THR 47 HG23 THR 47 12.137 -2.229 7.573 363 H TYR 48 H TYR 48 14.214 -0.841 3.494 364 HA TYR 48 HA TYR 48 11.712 -2.010 2.777 365 HB2 TYR 48 HB3 TYR 48 13.643 -2.510 0.754 366 HB3 TYR 48 HB2 TYR 48 12.365 -1.300 0.762 367 HD1 TYR 48 HD1 TYR 48 15.809 -1.847 2.104 368 HD2 TYR 48 HD2 TYR 48 12.962 0.932 0.595 369 HE1 TYR 48 HE1 TYR 48 17.509 -0.071 2.179 370 HE2 TYR 48 HE2 TYR 48 14.655 2.713 0.665 371 HH TYR 48 HH TYR 48 17.767 2.235 2.163 372 H THR 49 H THR 49 11.450 -4.075 1.728 373 HA THR 49 HA THR 49 12.737 -6.198 3.196 374 HB THR 49 HB THR 49 11.144 -7.659 2.134 375 HG1 THR 49 HG1 THR 49 9.693 -6.628 0.531 376 HG21 THR 49 HG21 THR 49 9.224 -5.509 2.271 377 HG22 THR 49 HG22 THR 49 10.331 -5.492 3.643 378 HG23 THR 49 HG23 THR 49 9.395 -6.943 3.283 379 H ASP 50 H ASP 50 13.417 -8.202 1.834 380 HA ASP 50 HA ASP 50 15.679 -7.543 0.374 381 HB2 ASP 50 HB3 ASP 50 15.731 -9.741 1.073 382 HB3 ASP 50 HB2 ASP 50 14.040 -10.019 0.669 383 H ALA 51 H ALA 51 12.373 -8.062 -0.693 384 HA ALA 51 HA ALA 51 12.938 -8.045 -3.483 385 HB1 ALA 51 HB1 ALA 51 10.820 -8.695 -3.586 386 HB2 ALA 51 HB2 ALA 51 10.284 -7.134 -2.964 387 HB3 ALA 51 HB3 ALA 51 10.674 -8.442 -1.846 388 H ASN 52 H ASN 52 11.825 -5.560 -1.196 389 HA ASN 52 HA ASN 52 11.495 -3.486 -3.054 390 HB2 ASN 52 HB3 ASN 52 12.222 -3.356 -0.119 391 HB3 ASN 52 HB2 ASN 52 11.721 -1.971 -1.087 392 HD21 ASN 52 HD21 ASN 52 9.944 -4.087 -2.515 393 HD22 ASN 52 HD22 ASN 52 8.543 -4.143 -1.504 394 H LYS 53 H LYS 53 14.302 -4.439 -1.114 395 HA LYS 53 HA LYS 53 16.017 -2.362 -1.870 396 HB2 LYS 53 HB3 LYS 53 17.850 -4.035 -1.326 397 HB3 LYS 53 HB2 LYS 53 16.686 -3.721 -0.046 398 HG2 LYS 53 HG3 LYS 53 15.568 -5.786 -0.454 399 HG3 LYS 53 HG2 LYS 53 16.511 -6.068 -1.917 400 HD2 LYS 53 HD3 LYS 53 17.669 -7.385 -0.450 401 HD3 LYS 53 HD2 LYS 53 18.535 -5.864 -0.232 402 HE2 LYS 53 HE3 LYS 53 18.031 -5.901 1.927 403 HE3 LYS 53 HE2 LYS 53 16.319 -5.823 1.517 404 HZ1 LYS 53 HZ1 LYS 53 17.846 -8.025 2.506 405 HZ2 LYS 53 HZ2 LYS 53 16.997 -8.435 1.101 406 HZ3 LYS 53 HZ3 LYS 53 16.168 -7.823 2.443 407 H ASN 54 H ASN 54 15.062 -5.301 -3.477 408 HA ASN 54 HA ASN 54 17.097 -5.195 -5.497 409 HB2 ASN 54 HB3 ASN 54 14.474 -6.710 -5.447 410 HB3 ASN 54 HB2 ASN 54 15.785 -6.969 -6.593 411 HD21 ASN 54 HD21 ASN 54 17.142 -6.168 -3.708 412 HD22 ASN 54 HD22 ASN 54 17.432 -7.753 -3.079 413 H LYS 55 H LYS 55 14.157 -3.596 -4.927 414 HA LYS 55 HA LYS 55 13.110 -1.927 -6.074 415 HB2 LYS 55 HB3 LYS 55 15.403 -2.393 -7.968 416 HB3 LYS 55 HB2 LYS 55 14.122 -1.245 -8.330 417 HG2 LYS 55 HG3 LYS 55 14.929 0.281 -6.915 418 HG3 LYS 55 HG2 LYS 55 15.277 -0.919 -5.668 419 HD2 LYS 55 HD3 LYS 55 16.968 -0.121 -8.022 420 HD3 LYS 55 HD2 LYS 55 17.371 -0.044 -6.305 421 HE2 LYS 55 HE3 LYS 55 17.004 -2.632 -6.414 422 HE3 LYS 55 HE2 LYS 55 17.292 -2.399 -8.139 423 HZ1 LYS 55 HZ1 LYS 55 19.378 -2.849 -7.246 424 HZ2 LYS 55 HZ2 LYS 55 19.129 -1.879 -5.883 425 HZ3 LYS 55 HZ3 LYS 55 19.372 -1.164 -7.395 426 H GLY 56 H GLY 56 11.669 -3.990 -6.091 427 HA2 GLY 56 HA3 GLY 56 11.250 -5.514 -8.368 428 HA3 GLY 56 HA2 GLY 56 9.998 -5.097 -7.210 429 H ILE 57 H ILE 57 8.406 -3.745 -7.831 430 HA ILE 57 HA ILE 57 8.869 -1.950 -10.055 431 HB ILE 57 HB ILE 57 7.745 -4.377 -10.620 432 HG12 ILE 57 HG13 ILE 57 8.602 -3.261 -12.398 433 HG13 ILE 57 HG12 ILE 57 6.896 -2.932 -12.685 434 HG21 ILE 57 HG21 ILE 57 5.661 -4.031 -9.605 435 HG22 ILE 57 HG22 ILE 57 5.399 -3.682 -11.316 436 HG23 ILE 57 HG23 ILE 57 5.580 -2.360 -10.164 437 HD11 ILE 57 HD11 ILE 57 7.102 -0.746 -12.167 438 HD12 ILE 57 HD12 ILE 57 8.764 -1.042 -12.683 439 HD13 ILE 57 HD13 ILE 57 8.359 -1.037 -10.965 440 H THR 58 H THR 58 6.867 -0.593 -10.508 441 HA THR 58 HA THR 58 5.986 0.499 -8.001 442 HB THR 58 HB THR 58 6.414 1.487 -10.592 443 HG1 THR 58 HG1 THR 58 5.916 3.471 -9.556 444 HG21 THR 58 HG21 THR 58 4.060 0.931 -11.113 445 HG22 THR 58 HG22 THR 58 4.412 2.659 -11.170 446 HG23 THR 58 HG23 THR 58 3.560 1.978 -9.784 447 H TRP 59 H TRP 59 4.332 -0.275 -6.963 448 HA TRP 59 HA TRP 59 2.393 -2.013 -8.065 449 HB2 TRP 59 HB3 TRP 59 1.715 -0.585 -5.566 450 HB3 TRP 59 HB2 TRP 59 1.719 -2.312 -5.914 451 HD1 TRP 59 HD1 TRP 59 4.146 0.526 -4.945 452 HE1 TRP 59 HE1 TRP 59 6.209 -0.526 -3.821 453 HE3 TRP 59 HE3 TRP 59 3.020 -4.415 -5.638 454 HZ2 TRP 59 HZ2 TRP 59 7.223 -3.107 -3.293 455 HZ3 TRP 59 HZ3 TRP 59 4.589 -6.111 -4.793 456 HH2 TRP 59 HH2 TRP 59 6.648 -5.469 -3.644 457 H LYS 60 H LYS 60 0.968 -1.369 -9.526 458 HA LYS 60 HA LYS 60 -0.276 1.275 -9.264 459 HB2 LYS 60 HB3 LYS 60 0.046 1.391 -11.469 460 HB3 LYS 60 HB2 LYS 60 0.661 -0.255 -11.493 461 HG2 LYS 60 HG3 LYS 60 -1.072 -0.607 -12.869 462 HG3 LYS 60 HG2 LYS 60 -1.989 -0.737 -11.369 463 HD2 LYS 60 HD3 LYS 60 -3.118 1.159 -11.763 464 HD3 LYS 60 HD2 LYS 60 -1.669 2.010 -12.308 465 HE2 LYS 60 HE3 LYS 60 -2.317 0.055 -14.256 466 HE3 LYS 60 HE2 LYS 60 -3.797 0.930 -13.861 467 HZ1 LYS 60 HZ1 LYS 60 -1.881 1.766 -15.588 468 HZ2 LYS 60 HZ2 LYS 60 -1.522 2.650 -14.192 469 HZ3 LYS 60 HZ3 LYS 60 -3.062 2.751 -14.884 470 H GLU 61 H GLU 61 -2.631 1.296 -10.100 471 HA GLU 61 HA GLU 61 -4.199 -0.200 -8.320 472 HB2 GLU 61 HB3 GLU 61 -4.604 1.963 -10.004 473 HB3 GLU 61 HB2 GLU 61 -5.657 0.722 -10.669 474 HG2 GLU 61 HG3 GLU 61 -5.939 0.748 -7.836 475 HG3 GLU 61 HG2 GLU 61 -6.105 2.393 -8.447 476 H GLU 62 H GLU 62 -3.991 -0.478 -11.873 477 HA GLU 62 HA GLU 62 -5.560 -2.804 -12.064 478 HB2 GLU 62 HB3 GLU 62 -5.079 -2.775 -14.312 479 HB3 GLU 62 HB2 GLU 62 -4.727 -1.106 -13.885 480 HG2 GLU 62 HG3 GLU 62 -2.337 -1.710 -13.678 481 HG3 GLU 62 HG2 GLU 62 -2.736 -3.334 -14.240 482 H THR 63 H THR 63 -2.049 -2.376 -11.850 483 HA THR 63 HA THR 63 -1.360 -5.085 -12.185 484 HB THR 63 HB THR 63 0.001 -2.656 -11.730 485 HG1 THR 63 HG1 THR 63 1.324 -3.714 -12.944 486 HG21 THR 63 HG21 THR 63 1.507 -2.957 -10.026 487 HG22 THR 63 HG22 THR 63 1.223 -4.695 -9.936 488 HG23 THR 63 HG23 THR 63 0.022 -3.570 -9.304 489 H LEU 64 H LEU 64 -2.480 -3.258 -9.458 490 HA LEU 64 HA LEU 64 -1.709 -5.120 -7.443 491 HB2 LEU 64 HB3 LEU 64 -3.192 -2.614 -7.610 492 HB3 LEU 64 HB2 LEU 64 -3.880 -3.726 -6.441 493 HG LEU 64 HG LEU 64 -1.042 -2.699 -6.469 494 HD11 LEU 64 HD11 LEU 64 -2.137 -0.942 -5.554 495 HD12 LEU 64 HD12 LEU 64 -2.034 -1.947 -4.109 496 HD13 LEU 64 HD13 LEU 64 -3.520 -1.917 -5.061 497 HD21 LEU 64 HD21 LEU 64 -0.725 -3.917 -4.414 498 HD22 LEU 64 HD22 LEU 64 -1.227 -5.037 -5.679 499 HD23 LEU 64 HD23 LEU 64 -2.388 -4.503 -4.464 500 H MET 65 H MET 65 -4.537 -4.658 -9.465 501 HA MET 65 HA MET 65 -6.322 -6.350 -8.124 502 HB2 MET 65 HB3 MET 65 -6.075 -5.578 -11.029 503 HB3 MET 65 HB2 MET 65 -7.377 -6.601 -10.434 504 HG2 MET 65 HG3 MET 65 -6.799 -3.743 -9.716 505 HG3 MET 65 HG2 MET 65 -8.208 -4.388 -10.558 506 HE1 MET 65 HE1 MET 65 -6.712 -3.237 -7.375 507 HE2 MET 65 HE2 MET 65 -6.246 -4.912 -7.074 508 HE3 MET 65 HE3 MET 65 -7.481 -4.145 -6.076 509 H GLU 66 H GLU 66 -3.922 -7.014 -10.635 510 HA GLU 66 HA GLU 66 -4.552 -9.819 -10.749 511 HB2 GLU 66 HB3 GLU 66 -2.328 -9.855 -12.065 512 HB3 GLU 66 HB2 GLU 66 -3.699 -9.005 -12.765 513 HG2 GLU 66 HG3 GLU 66 -2.801 -6.884 -12.052 514 HG3 GLU 66 HG2 GLU 66 -1.472 -7.694 -11.224 515 H TYR 67 H TYR 67 -2.155 -7.782 -9.187 516 HA TYR 67 HA TYR 67 -0.428 -9.793 -8.260 517 HB2 TYR 67 HB3 TYR 67 0.553 -7.749 -7.977 518 HB3 TYR 67 HB2 TYR 67 -0.969 -6.956 -7.586 519 HD1 TYR 67 HD1 TYR 67 1.957 -8.657 -6.260 520 HD2 TYR 67 HD2 TYR 67 -1.859 -7.046 -5.286 521 HE1 TYR 67 HE1 TYR 67 2.559 -8.690 -3.876 522 HE2 TYR 67 HE2 TYR 67 -1.267 -7.073 -2.898 523 HH TYR 67 HH TYR 67 0.568 -7.181 -1.456 524 H LEU 68 H LEU 68 -3.560 -8.797 -7.227 525 HA LEU 68 HA LEU 68 -3.504 -9.626 -4.547 526 HB2 LEU 68 HB3 LEU 68 -5.694 -9.319 -6.573 527 HB3 LEU 68 HB2 LEU 68 -6.037 -9.971 -4.983 528 HG LEU 68 HG LEU 68 -4.776 -7.272 -5.458 529 HD11 LEU 68 HD11 LEU 68 -6.904 -6.288 -5.061 530 HD12 LEU 68 HD12 LEU 68 -7.628 -7.853 -4.693 531 HD13 LEU 68 HD13 LEU 68 -7.109 -7.485 -6.338 532 HD21 LEU 68 HD21 LEU 68 -4.233 -8.214 -3.296 533 HD22 LEU 68 HD22 LEU 68 -5.935 -8.572 -2.997 534 HD23 LEU 68 HD23 LEU 68 -5.391 -6.899 -3.103 535 H GLU 69 H GLU 69 -3.380 -11.422 -7.429 536 HA GLU 69 HA GLU 69 -4.696 -13.787 -6.696 537 HB2 GLU 69 HB3 GLU 69 -3.336 -12.900 -8.915 538 HB3 GLU 69 HB2 GLU 69 -2.282 -14.172 -8.312 539 HG2 GLU 69 HG3 GLU 69 -4.126 -15.754 -8.376 540 HG3 GLU 69 HG2 GLU 69 -5.210 -14.482 -8.935 541 H ASN 70 H ASN 70 -1.173 -13.669 -7.036 542 HA ASN 70 HA ASN 70 -0.964 -15.182 -4.515 543 HB2 ASN 70 HB3 ASN 70 0.429 -15.508 -7.144 544 HB3 ASN 70 HB2 ASN 70 1.264 -15.975 -5.665 545 HD21 ASN 70 HD21 ASN 70 -1.083 -16.819 -7.974 546 HD22 ASN 70 HD22 ASN 70 -1.598 -18.303 -7.254 547 HA PRO 71 HA PRO 71 1.050 -11.172 -3.547 548 HB2 PRO 71 HB3 PRO 71 1.056 -12.617 -0.937 549 HB3 PRO 71 HB2 PRO 71 0.619 -10.941 -1.295 550 HG2 PRO 71 HG3 PRO 71 -1.263 -12.763 -0.821 551 HG3 PRO 71 HG2 PRO 71 -1.491 -11.518 -2.065 552 HD2 PRO 71 HD3 PRO 71 -0.848 -14.412 -2.376 553 HD3 PRO 71 HD2 PRO 71 -1.836 -13.357 -3.405 554 H LYS 72 H LYS 72 2.007 -14.468 -2.745 555 HA LYS 72 HA LYS 72 4.724 -13.743 -2.133 556 HB2 LYS 72 HB3 LYS 72 4.732 -15.751 -1.164 557 HB3 LYS 72 HB2 LYS 72 3.082 -15.994 -1.716 558 HG2 LYS 72 HG3 LYS 72 4.085 -17.840 -2.599 559 HG3 LYS 72 HG2 LYS 72 4.272 -16.713 -3.943 560 HD2 LYS 72 HD3 LYS 72 6.471 -16.401 -2.145 561 HD3 LYS 72 HD2 LYS 72 6.288 -18.110 -2.543 562 HE2 LYS 72 HE3 LYS 72 5.939 -16.690 -4.945 563 HE3 LYS 72 HE2 LYS 72 7.339 -15.976 -4.144 564 HZ1 LYS 72 HZ1 LYS 72 8.327 -18.163 -3.972 565 HZ2 LYS 72 HZ2 LYS 72 7.954 -17.826 -5.588 566 HZ3 LYS 72 HZ3 LYS 72 6.970 -18.873 -4.694 567 H LYS 73 H LYS 73 2.926 -14.605 -4.947 568 HA LYS 73 HA LYS 73 5.087 -15.548 -6.533 569 HB2 LYS 73 HB3 LYS 73 3.570 -15.670 -8.272 570 HB3 LYS 73 HB2 LYS 73 2.501 -15.764 -6.880 571 HG2 LYS 73 HG3 LYS 73 1.366 -14.184 -8.005 572 HG3 LYS 73 HG2 LYS 73 2.536 -13.106 -7.243 573 HD2 LYS 73 HD3 LYS 73 2.153 -12.861 -9.766 574 HD3 LYS 73 HD2 LYS 73 3.820 -12.934 -9.192 575 HE2 LYS 73 HE3 LYS 73 3.293 -14.335 -11.222 576 HE3 LYS 73 HE2 LYS 73 4.061 -15.183 -9.880 577 HZ1 LYS 73 HZ1 LYS 73 1.728 -15.824 -9.202 578 HZ2 LYS 73 HZ2 LYS 73 2.329 -16.563 -10.600 579 HZ3 LYS 73 HZ3 LYS 73 1.226 -15.286 -10.725 580 H TYR 74 H TYR 74 3.807 -12.389 -5.788 581 HA TYR 74 HA TYR 74 5.294 -11.062 -7.875 582 HB2 TYR 74 HB3 TYR 74 3.358 -10.270 -5.784 583 HB3 TYR 74 HB2 TYR 74 4.540 -9.045 -6.234 584 HD1 TYR 74 HD1 TYR 74 2.046 -11.382 -7.719 585 HD2 TYR 74 HD2 TYR 74 4.172 -7.720 -8.114 586 HE1 TYR 74 HE1 TYR 74 0.695 -10.817 -9.695 587 HE2 TYR 74 HE2 TYR 74 2.829 -7.144 -10.090 588 HH TYR 74 HH TYR 74 0.594 -9.432 -11.523 589 H ILE 75 H ILE 75 5.527 -11.400 -4.352 590 HA ILE 75 HA ILE 75 8.350 -10.602 -4.551 591 HB ILE 75 HB ILE 75 6.337 -9.621 -2.539 592 HG12 ILE 75 HG13 ILE 75 6.390 -8.115 -4.319 593 HG13 ILE 75 HG12 ILE 75 7.567 -7.427 -3.205 594 HG21 ILE 75 HG21 ILE 75 8.352 -8.539 -1.438 595 HG22 ILE 75 HG22 ILE 75 9.336 -9.682 -2.355 596 HG23 ILE 75 HG23 ILE 75 8.154 -10.274 -1.188 597 HD11 ILE 75 HD11 ILE 75 8.875 -7.331 -5.010 598 HD12 ILE 75 HD12 ILE 75 7.931 -8.539 -5.884 599 HD13 ILE 75 HD13 ILE 75 9.141 -9.047 -4.705 600 HA PRO 76 HA PRO 76 7.882 -14.780 -2.554 601 HB2 PRO 76 HB3 PRO 76 10.586 -14.984 -3.759 602 HB3 PRO 76 HB2 PRO 76 9.241 -16.129 -3.811 603 HG2 PRO 76 HG3 PRO 76 9.890 -14.682 -5.955 604 HG3 PRO 76 HG2 PRO 76 8.197 -15.028 -5.563 605 HD2 PRO 76 HD3 PRO 76 9.762 -12.513 -5.158 606 HD3 PRO 76 HD2 PRO 76 8.072 -12.721 -5.663 607 H GLY 77 H GLY 77 8.536 -15.179 -0.527 608 HA2 GLY 77 HA3 GLY 77 10.289 -15.370 1.118 609 HA3 GLY 77 HA2 GLY 77 11.049 -13.956 0.405 610 H THR 78 H THR 78 8.172 -12.806 0.281 611 HA THR 78 HA THR 78 8.267 -11.712 2.999 612 HB THR 78 HB THR 78 8.070 -10.455 0.563 613 HG1 THR 78 HG1 THR 78 7.094 -9.428 3.014 614 HG21 THR 78 HG21 THR 78 5.639 -11.261 0.533 615 HG22 THR 78 HG22 THR 78 5.964 -9.556 0.221 616 HG23 THR 78 HG23 THR 78 5.381 -10.066 1.807 617 H LYS 79 H LYS 79 6.757 -12.176 4.454 618 HA LYS 79 HA LYS 79 4.356 -13.615 3.552 619 HB2 LYS 79 HB3 LYS 79 6.086 -14.604 5.245 620 HB3 LYS 79 HB2 LYS 79 5.277 -13.555 6.403 621 HG2 LYS 79 HG3 LYS 79 4.511 -16.015 6.136 622 HG3 LYS 79 HG2 LYS 79 3.306 -14.736 6.307 623 HD2 LYS 79 HD3 LYS 79 2.780 -16.378 4.513 624 HD3 LYS 79 HD2 LYS 79 2.910 -14.713 3.938 625 HE2 LYS 79 HE3 LYS 79 4.023 -16.369 2.460 626 HE3 LYS 79 HE2 LYS 79 5.108 -15.121 3.074 627 HZ1 LYS 79 HZ1 LYS 79 6.030 -17.406 3.147 628 HZ2 LYS 79 HZ2 LYS 79 4.844 -17.821 4.279 629 HZ3 LYS 79 HZ3 LYS 79 5.996 -16.642 4.657 630 H MET 80 H MET 80 2.335 -12.927 4.121 631 HA MET 80 HA MET 80 2.194 -10.272 5.375 632 HB2 MET 80 HB3 MET 80 0.514 -11.688 3.345 633 HB3 MET 80 HB2 MET 80 -0.227 -10.453 4.352 634 HG2 MET 80 HG3 MET 80 2.286 -9.916 2.819 635 HG3 MET 80 HG2 MET 80 0.696 -9.767 2.072 636 HE1 MET 80 HE1 MET 80 -0.602 -8.173 2.008 637 HE2 MET 80 HE2 MET 80 -0.055 -6.518 2.283 638 HE3 MET 80 HE3 MET 80 -1.158 -7.286 3.426 639 H ILE 81 H ILE 81 1.730 -10.343 7.066 640 HA ILE 81 HA ILE 81 -0.088 -12.434 8.453 641 HB ILE 81 HB ILE 81 1.816 -10.724 10.055 642 HG12 ILE 81 HG13 ILE 81 2.994 -13.016 10.293 643 HG13 ILE 81 HG12 ILE 81 2.082 -13.471 8.857 644 HG21 ILE 81 HG21 ILE 81 -0.001 -11.437 11.419 645 HG22 ILE 81 HG22 ILE 81 1.381 -12.462 11.804 646 HG23 ILE 81 HG23 ILE 81 0.083 -13.077 10.777 647 HD11 ILE 81 HD11 ILE 81 3.242 -11.011 8.242 648 HD12 ILE 81 HD12 ILE 81 3.716 -12.601 7.649 649 HD13 ILE 81 HD13 ILE 81 4.491 -11.929 9.082 650 H PHE 82 H PHE 82 -2.027 -11.903 9.247 651 HA PHE 82 HA PHE 82 -3.530 -10.580 10.487 652 HB2 PHE 82 HB3 PHE 82 -1.432 -8.964 10.755 653 HB3 PHE 82 HB2 PHE 82 -2.304 -8.033 9.544 654 HD1 PHE 82 HD1 PHE 82 -3.890 -6.512 10.234 655 HD2 PHE 82 HD2 PHE 82 -2.844 -9.727 12.816 656 HE1 PHE 82 HE1 PHE 82 -5.310 -5.552 11.995 657 HE2 PHE 82 HE2 PHE 82 -4.265 -8.774 14.585 658 HZ PHE 82 HZ PHE 82 -5.501 -6.683 14.175 659 H ALA 83 H ALA 83 -5.137 -8.783 9.774 660 HA ALA 83 HA ALA 83 -5.742 -7.646 7.541 661 HB1 ALA 83 HB1 ALA 83 -6.698 -9.608 6.056 662 HB2 ALA 83 HB2 ALA 83 -5.435 -10.525 6.875 663 HB3 ALA 83 HB3 ALA 83 -5.016 -9.094 5.934 664 H GLY 84 H GLY 84 -7.247 -6.945 9.126 665 HA2 GLY 84 HA3 GLY 84 -9.365 -8.686 10.000 666 HA3 GLY 84 HA2 GLY 84 -9.237 -6.962 10.304 667 H ILE 85 H ILE 85 -9.120 -8.388 7.105 668 HA ILE 85 HA ILE 85 -11.837 -7.392 6.580 669 HB ILE 85 HB ILE 85 -9.421 -6.942 4.826 670 HG12 ILE 85 HG13 ILE 85 -9.617 -5.392 6.738 671 HG13 ILE 85 HG12 ILE 85 -9.871 -4.568 5.202 672 HG21 ILE 85 HG21 ILE 85 -11.887 -7.466 3.888 673 HG22 ILE 85 HG22 ILE 85 -10.748 -6.381 3.090 674 HG23 ILE 85 HG23 ILE 85 -12.013 -5.723 4.131 675 HD11 ILE 85 HD11 ILE 85 -12.274 -4.620 5.564 676 HD12 ILE 85 HD12 ILE 85 -11.442 -3.816 6.894 677 HD13 ILE 85 HD13 ILE 85 -12.031 -5.467 7.093 678 H LYS 86 H LYS 86 -13.093 -8.876 5.680 679 HA LYS 86 HA LYS 86 -11.830 -11.051 4.150 680 HB2 LYS 86 HB3 LYS 86 -13.785 -12.465 4.980 681 HB3 LYS 86 HB2 LYS 86 -12.534 -12.079 6.153 682 HG2 LYS 86 HG3 LYS 86 -13.889 -10.477 7.224 683 HG3 LYS 86 HG2 LYS 86 -15.053 -10.466 5.898 684 HD2 LYS 86 HD3 LYS 86 -15.375 -12.967 6.468 685 HD3 LYS 86 HD2 LYS 86 -14.598 -12.557 7.999 686 HE2 LYS 86 HE3 LYS 86 -16.500 -11.715 8.777 687 HE3 LYS 86 HE2 LYS 86 -16.602 -10.609 7.410 688 HZ1 LYS 86 HZ1 LYS 86 -18.533 -11.854 7.260 689 HZ2 LYS 86 HZ2 LYS 86 -17.773 -13.302 7.691 690 HZ3 LYS 86 HZ3 LYS 86 -17.508 -12.634 6.160 691 H LYS 87 H LYS 87 -12.575 -8.854 2.807 692 HA LYS 87 HA LYS 87 -14.637 -9.877 1.082 693 HB2 LYS 87 HB3 LYS 87 -15.110 -7.540 2.876 694 HB3 LYS 87 HB2 LYS 87 -15.773 -7.495 1.248 695 HG2 LYS 87 HG3 LYS 87 -17.106 -9.407 1.633 696 HG3 LYS 87 HG2 LYS 87 -16.261 -9.776 3.138 697 HD2 LYS 87 HD3 LYS 87 -17.307 -8.063 4.295 698 HD3 LYS 87 HD2 LYS 87 -17.686 -7.165 2.824 699 HE2 LYS 87 HE3 LYS 87 -19.227 -9.107 2.235 700 HE3 LYS 87 HE2 LYS 87 -19.019 -9.634 3.903 701 HZ1 LYS 87 HZ1 LYS 87 -19.864 -7.473 4.629 702 HZ2 LYS 87 HZ2 LYS 87 -20.998 -8.299 3.684 703 HZ3 LYS 87 HZ3 LYS 87 -20.113 -7.019 3.019 704 H LYS 88 H LYS 88 -13.805 -9.611 -0.873 705 HA LYS 88 HA LYS 88 -11.608 -8.107 -1.555 706 HB2 LYS 88 HB3 LYS 88 -11.913 -9.066 -3.552 707 HB3 LYS 88 HB2 LYS 88 -13.375 -9.785 -2.892 708 HG2 LYS 88 HG3 LYS 88 -13.443 -7.044 -4.084 709 HG3 LYS 88 HG2 LYS 88 -13.497 -8.476 -5.112 710 HD2 LYS 88 HD3 LYS 88 -15.368 -9.169 -3.339 711 HD3 LYS 88 HD2 LYS 88 -15.512 -7.415 -3.214 712 HE2 LYS 88 HE3 LYS 88 -15.912 -7.235 -5.585 713 HE3 LYS 88 HE2 LYS 88 -15.618 -8.960 -5.801 714 HZ1 LYS 88 HZ1 LYS 88 -18.039 -7.801 -5.394 715 HZ2 LYS 88 HZ2 LYS 88 -17.658 -8.412 -3.864 716 HZ3 LYS 88 HZ3 LYS 88 -17.691 -9.445 -5.202 717 H THR 89 H THR 89 -14.998 -7.149 -1.569 718 HA THR 89 HA THR 89 -14.687 -4.685 -2.890 719 HB THR 89 HB THR 89 -16.844 -5.991 -2.295 720 HG1 THR 89 HG1 THR 89 -17.201 -4.156 -3.353 721 HG21 THR 89 HG21 THR 89 -17.192 -4.136 -0.036 722 HG22 THR 89 HG22 THR 89 -16.202 -5.564 0.266 723 HG23 THR 89 HG23 THR 89 -17.861 -5.745 -0.307 724 H GLU 90 H GLU 90 -13.982 -5.685 0.339 725 HA GLU 90 HA GLU 90 -13.976 -3.073 1.511 726 HB2 GLU 90 HB3 GLU 90 -12.655 -5.628 2.452 727 HB3 GLU 90 HB2 GLU 90 -12.863 -4.169 3.414 728 HG2 GLU 90 HG3 GLU 90 -15.231 -5.547 2.220 729 HG3 GLU 90 HG2 GLU 90 -14.506 -6.132 3.718 730 H ARG 91 H ARG 91 -11.492 -5.294 0.328 731 HA ARG 91 HA ARG 91 -9.284 -3.611 0.856 732 HB2 ARG 91 HB3 ARG 91 -9.724 -6.012 -1.037 733 HB3 ARG 91 HB2 ARG 91 -8.167 -5.081 -0.871 734 HG2 ARG 91 HG3 ARG 91 -8.606 -5.688 1.723 735 HG3 ARG 91 HG2 ARG 91 -9.398 -7.060 0.922 736 HD2 ARG 91 HD3 ARG 91 -6.760 -6.866 -0.368 737 HD3 ARG 91 HD2 ARG 91 -6.652 -6.587 1.368 738 HE ARG 91 HE ARG 91 -7.977 -8.709 1.416 739 HH11 ARG 91 HH11 ARG 91 -5.588 -7.771 -0.941 740 HH12 ARG 91 HH12 ARG 91 -5.047 -9.323 -1.207 741 HH21 ARG 91 HH21 ARG 91 -7.288 -10.850 1.026 742 HH22 ARG 91 HH22 ARG 91 -6.028 -11.153 -0.108 743 H GLU 92 H GLU 92 -11.212 -4.181 -2.066 744 HA GLU 92 HA GLU 92 -9.760 -2.583 -3.826 745 HB2 GLU 92 HB3 GLU 92 -12.760 -2.922 -3.850 746 HB3 GLU 92 HB2 GLU 92 -11.718 -2.554 -5.219 747 HG2 GLU 92 HG3 GLU 92 -12.442 -5.107 -4.072 748 HG3 GLU 92 HG2 GLU 92 -11.742 -4.730 -5.645 749 H ASP 93 H ASP 93 -12.265 -1.722 -1.503 750 HA ASP 93 HA ASP 93 -12.736 0.907 -2.327 751 HB2 ASP 93 HB3 ASP 93 -13.683 -0.701 -0.318 752 HB3 ASP 93 HB2 ASP 93 -12.763 0.498 0.584 753 H GLY 94 H GLY 94 -10.383 -0.369 0.014 754 HA2 GLY 94 HA3 GLY 94 -9.278 2.067 0.820 755 HA3 GLY 94 HA2 GLY 94 -8.434 0.525 0.833 756 H ILE 95 H ILE 95 -8.649 0.115 -2.026 757 HA ILE 95 HA ILE 95 -6.263 1.302 -2.866 758 HB ILE 95 HB ILE 95 -8.441 0.276 -4.684 759 HG12 ILE 95 HG13 ILE 95 -6.816 -1.106 -2.718 760 HG13 ILE 95 HG12 ILE 95 -8.164 -1.710 -3.677 761 HG21 ILE 95 HG21 ILE 95 -6.856 0.103 -6.338 762 HG22 ILE 95 HG22 ILE 95 -5.516 0.028 -5.195 763 HG23 ILE 95 HG23 ILE 95 -6.323 1.565 -5.505 764 HD11 ILE 95 HD11 ILE 95 -6.363 -3.066 -4.256 765 HD12 ILE 95 HD12 ILE 95 -5.247 -1.703 -4.344 766 HD13 ILE 95 HD13 ILE 95 -6.485 -1.911 -5.583 767 H ALA 96 H ALA 96 -9.634 2.165 -3.584 768 HA ALA 96 HA ALA 96 -9.152 4.237 -5.383 769 HB1 ALA 96 HB1 ALA 96 -11.395 4.178 -3.371 770 HB2 ALA 96 HB2 ALA 96 -11.375 3.213 -4.845 771 HB3 ALA 96 HB3 ALA 96 -11.378 4.973 -4.946 772 H TYR 97 H TYR 97 -9.302 4.262 -1.852 773 HA TYR 97 HA TYR 97 -9.019 7.060 -1.538 774 HB2 TYR 97 HB3 TYR 97 -9.856 5.810 0.315 775 HB3 TYR 97 HB2 TYR 97 -8.458 4.741 0.311 776 HD1 TYR 97 HD1 TYR 97 -9.923 7.516 1.870 777 HD2 TYR 97 HD2 TYR 97 -6.142 5.974 0.682 778 HE1 TYR 97 HE1 TYR 97 -8.820 8.963 3.525 779 HE2 TYR 97 HE2 TYR 97 -5.028 7.416 2.332 780 HH TYR 97 HH TYR 97 -6.797 9.840 4.146 781 H LEU 98 H LEU 98 -6.725 4.406 -1.780 782 HA LEU 98 HA LEU 98 -4.402 5.843 -1.088 783 HB2 LEU 98 HB3 LEU 98 -5.054 3.223 -1.902 784 HB3 LEU 98 HB2 LEU 98 -3.850 3.803 -3.036 785 HG LEU 98 HG LEU 98 -3.261 4.252 -0.170 786 HD11 LEU 98 HD11 LEU 98 -2.265 1.807 -0.306 787 HD12 LEU 98 HD12 LEU 98 -3.648 1.562 -1.373 788 HD13 LEU 98 HD13 LEU 98 -3.898 2.111 0.284 789 HD21 LEU 98 HD21 LEU 98 -1.503 4.916 -1.465 790 HD22 LEU 98 HD22 LEU 98 -1.815 3.705 -2.710 791 HD23 LEU 98 HD23 LEU 98 -1.046 3.233 -1.194 792 H LYS 99 H LYS 99 -6.083 5.353 -4.145 793 HA LYS 99 HA LYS 99 -4.148 6.370 -5.880 794 HB2 LYS 99 HB3 LYS 99 -6.969 7.001 -6.508 795 HB3 LYS 99 HB2 LYS 99 -5.746 6.212 -7.492 796 HG2 LYS 99 HG3 LYS 99 -6.066 4.235 -5.836 797 HG3 LYS 99 HG2 LYS 99 -7.597 5.036 -5.470 798 HD2 LYS 99 HD3 LYS 99 -6.964 4.722 -8.333 799 HD3 LYS 99 HD2 LYS 99 -7.274 3.226 -7.450 800 HE2 LYS 99 HE3 LYS 99 -9.456 3.759 -7.039 801 HE3 LYS 99 HE2 LYS 99 -9.144 5.493 -7.034 802 HZ1 LYS 99 HZ1 LYS 99 -8.849 5.346 -9.470 803 HZ2 LYS 99 HZ2 LYS 99 -10.411 4.945 -8.963 804 HZ3 LYS 99 HZ3 LYS 99 -9.328 3.725 -9.411 805 H LYS 100 H LYS 100 -6.733 8.024 -4.103 806 HA LYS 100 HA LYS 100 -6.115 10.599 -5.171 807 HB2 LYS 100 HB3 LYS 100 -7.790 9.677 -2.843 808 HB3 LYS 100 HB2 LYS 100 -7.593 11.377 -3.244 809 HG2 LYS 100 HG3 LYS 100 -9.195 11.237 -4.758 810 HG3 LYS 100 HG2 LYS 100 -8.327 9.951 -5.602 811 HD2 LYS 100 HD3 LYS 100 -9.842 8.472 -4.933 812 HD3 LYS 100 HD2 LYS 100 -9.488 8.854 -3.245 813 HE2 LYS 100 HE3 LYS 100 -11.301 10.584 -4.897 814 HE3 LYS 100 HE2 LYS 100 -11.903 9.142 -4.080 815 HZ1 LYS 100 HZ1 LYS 100 -11.791 11.571 -2.963 816 HZ2 LYS 100 HZ2 LYS 100 -10.328 10.914 -2.422 817 HZ3 LYS 100 HZ3 LYS 100 -11.784 10.125 -2.086 818 H ALA 101 H ALA 101 -5.281 8.791 -2.310 819 HA ALA 101 HA ALA 101 -4.115 10.739 -0.721 820 HB1 ALA 101 HB1 ALA 101 -4.577 8.130 -0.396 821 HB2 ALA 101 HB2 ALA 101 -3.452 9.035 0.617 822 HB3 ALA 101 HB3 ALA 101 -2.846 8.070 -0.728 823 H THR 102 H THR 102 -2.929 9.188 -3.573 824 HA THR 102 HA THR 102 -0.281 10.393 -3.154 825 HB THR 102 HB THR 102 0.591 8.691 -4.364 826 HG1 THR 102 HG1 THR 102 -0.491 7.974 -6.338 827 HG21 THR 102 HG21 THR 102 -1.752 7.079 -4.816 828 HG22 THR 102 HG22 THR 102 -1.705 7.702 -3.167 829 HG23 THR 102 HG23 THR 102 -0.348 6.771 -3.797 830 H ASN 103 H ASN 103 -3.246 10.571 -4.799 831 HA ASN 103 HA ASN 103 -2.531 13.117 -5.907 832 HB2 ASN 103 HB3 ASN 103 -2.656 12.690 -8.162 833 HB3 ASN 103 HB2 ASN 103 -1.961 11.165 -7.618 834 HD21 ASN 103 HD21 ASN 103 -3.286 9.331 -7.487 835 HD22 ASN 103 HD22 ASN 103 -4.773 9.230 -8.363 836 H GLU 104 H GLU 104 -4.153 14.235 -5.112 837 HA GLU 104 HA GLU 104 -6.607 14.579 -5.959 838 HB2 GLU 104 HB3 GLU 104 -6.549 12.050 -4.394 839 HB3 GLU 104 HB2 GLU 104 -7.958 13.085 -4.235 840 HG2 GLU 104 HG3 GLU 104 -7.354 11.223 -6.277 841 HG3 GLU 104 HG2 GLU 104 -8.782 12.242 -6.102 842 HHA HEC 201 HHA HEC 201 5.059 -5.125 0.487 843 HHB HEC 201 HHB HEC 201 -0.530 -2.439 0.319 844 HHC HEC 201 HHC HEC 201 -2.145 -6.087 5.210 845 HHD HEC 201 HHD HEC 201 3.983 -5.812 6.803 846 HMA1 HEC 201 HMA1 HEC 201 0.807 -1.143 -1.253 847 HMA2 HEC 201 HMA2 HEC 201 2.409 -0.302 -0.742 848 HMA3 HEC 201 HMA3 HEC 201 2.221 -1.572 -1.561 849 HAA1 HEC 201 HAA1 HEC 201 4.894 -3.002 -1.424 850 HAA2 HEC 201 HAA2 HEC 201 5.482 -2.360 0.119 851 HBA1 HEC 201 HBA1 HEC 201 4.004 -0.323 -0.295 852 HBA2 HEC 201 HBA2 HEC 201 3.738 -0.959 -1.932 853 HMB1 HEC 201 HMB1 HEC 201 -3.707 -1.934 2.017 854 HMB2 HEC 201 HMB2 HEC 201 -3.789 -3.218 0.796 855 HMB3 HEC 201 HMB3 HEC 201 -2.526 -1.964 0.684 856 HAB HEC 201 HAB HEC 201 -4.008 -3.260 4.514 857 HBB1 HEC 201 HBB1 HEC 201 -5.444 -5.236 2.741 858 HBB2 HEC 201 HBB2 HEC 201 -4.803 -3.742 2.028 859 HBB3 HEC 201 HBB3 HEC 201 -5.921 -3.659 3.418 860 HMC1 HEC 201 HMC1 HEC 201 -1.002 -7.539 8.553 861 HMC2 HEC 201 HMC2 HEC 201 -1.993 -7.683 6.959 862 HMC3 HEC 201 HMC3 HEC 201 -0.644 -8.300 7.299 863 HAC HEC 201 HAC HEC 201 2.924 -6.822 8.295 864 HBC1 HEC 201 HBC1 HEC 201 3.197 -9.210 7.738 865 HBC2 HEC 201 HBC2 HEC 201 1.545 -9.519 8.310 866 HBC3 HEC 201 HBC3 HEC 201 2.798 -8.969 9.457 867 HMD1 HEC 201 HMD1 HEC 201 5.911 -7.007 6.403 868 HMD2 HEC 201 HMD2 HEC 201 7.053 -5.709 5.997 869 HMD3 HEC 201 HMD3 HEC 201 7.153 -7.277 5.152 870 HAD1 HEC 201 HAD1 HEC 201 7.850 -6.293 3.171 871 HAD2 HEC 201 HAD2 HEC 201 7.442 -4.872 2.196 872 HBD1 HEC 201 HBD1 HEC 201 7.759 -7.538 1.317 873 HBD2 HEC 201 HBD2 HEC 201 7.215 -6.140 0.370 Start of MODEL 4 1 H1 GLY 1 1H GLY 1 -19.470 3.962 -0.277 2 H2 GLY 1 2H GLY 1 -18.874 3.419 -1.764 3 H3 GLY 1 3H GLY 1 -19.033 5.077 -1.472 4 HA2 GLY 1 HA2 GLY 1 -17.395 3.716 0.465 5 HA3 GLY 1 HA3 GLY 1 -16.755 3.658 -1.170 6 H ASP 2 H ASP 2 -16.664 5.354 1.627 7 HA ASP 2 HA ASP 2 -16.078 7.894 0.251 8 HB2 ASP 2 HB3 ASP 2 -16.667 7.627 3.195 9 HB3 ASP 2 HB2 ASP 2 -16.708 9.080 2.201 10 H VAL 3 H VAL 3 -14.295 9.159 1.101 11 HA VAL 3 HA VAL 3 -11.944 7.649 1.418 12 HB VAL 3 HB VAL 3 -12.620 10.538 1.530 13 HG11 VAL 3 HG11 VAL 3 -11.277 10.620 3.420 14 HG12 VAL 3 HG12 VAL 3 -10.129 10.920 2.116 15 HG13 VAL 3 HG13 VAL 3 -10.227 9.321 2.854 16 HG21 VAL 3 HG21 VAL 3 -11.881 10.238 -0.555 17 HG22 VAL 3 HG22 VAL 3 -11.164 8.675 -0.162 18 HG23 VAL 3 HG23 VAL 3 -10.264 10.161 0.145 19 H GLU 4 H GLU 4 -13.954 9.394 3.750 20 HA GLU 4 HA GLU 4 -12.301 9.135 5.987 21 HB2 GLU 4 HB3 GLU 4 -14.212 10.614 6.020 22 HB3 GLU 4 HB2 GLU 4 -15.313 9.263 5.791 23 HG2 GLU 4 HG3 GLU 4 -14.413 8.373 8.000 24 HG3 GLU 4 HG2 GLU 4 -13.711 9.975 8.221 25 H LYS 5 H LYS 5 -14.861 6.997 4.774 26 HA LYS 5 HA LYS 5 -14.682 5.094 6.849 27 HB2 LYS 5 HB3 LYS 5 -15.572 4.640 3.995 28 HB3 LYS 5 HB2 LYS 5 -15.957 3.631 5.382 29 HG2 LYS 5 HG3 LYS 5 -16.847 6.099 6.176 30 HG3 LYS 5 HG2 LYS 5 -17.209 6.086 4.448 31 HD2 LYS 5 HD3 LYS 5 -17.883 3.602 5.855 32 HD3 LYS 5 HD2 LYS 5 -18.803 5.015 6.379 33 HE2 LYS 5 HE3 LYS 5 -20.087 4.843 4.578 34 HE3 LYS 5 HE2 LYS 5 -18.673 5.067 3.549 35 HZ1 LYS 5 HZ1 LYS 5 -20.208 2.743 3.936 36 HZ2 LYS 5 HZ2 LYS 5 -18.628 2.439 4.458 37 HZ3 LYS 5 HZ3 LYS 5 -18.905 2.985 2.883 38 H GLY 6 H GLY 6 -13.029 5.424 3.755 39 HA2 GLY 6 HA3 GLY 6 -11.775 2.901 3.708 40 HA3 GLY 6 HA2 GLY 6 -11.207 4.341 2.876 41 H LYS 7 H LYS 7 -10.733 6.000 5.050 42 HA LYS 7 HA LYS 7 -8.141 5.272 5.694 43 HB2 LYS 7 HB3 LYS 7 -8.535 7.544 5.895 44 HB3 LYS 7 HB2 LYS 7 -10.047 7.311 6.763 45 HG2 LYS 7 HG3 LYS 7 -7.885 6.261 8.314 46 HG3 LYS 7 HG2 LYS 7 -7.518 7.915 7.822 47 HD2 LYS 7 HD3 LYS 7 -10.189 7.998 8.578 48 HD3 LYS 7 HD2 LYS 7 -9.431 6.942 9.771 49 HE2 LYS 7 HE3 LYS 7 -8.905 8.866 10.804 50 HE3 LYS 7 HE2 LYS 7 -7.606 8.939 9.614 51 HZ1 LYS 7 HZ1 LYS 7 -8.522 10.962 9.266 52 HZ2 LYS 7 HZ2 LYS 7 -10.067 10.495 9.774 53 HZ3 LYS 7 HZ3 LYS 7 -9.527 10.083 8.226 54 H LYS 8 H LYS 8 -11.112 4.948 7.595 55 HA LYS 8 HA LYS 8 -9.901 3.943 9.936 56 HB2 LYS 8 HB3 LYS 8 -12.017 3.768 10.742 57 HB3 LYS 8 HB2 LYS 8 -12.394 4.749 9.332 58 HG2 LYS 8 HG3 LYS 8 -13.964 3.115 9.115 59 HG3 LYS 8 HG2 LYS 8 -12.653 2.401 8.176 60 HD2 LYS 8 HD3 LYS 8 -13.977 1.331 10.434 61 HD3 LYS 8 HD2 LYS 8 -12.635 0.636 9.523 62 HE2 LYS 8 HE3 LYS 8 -11.068 1.947 10.923 63 HE3 LYS 8 HE2 LYS 8 -12.440 2.513 11.875 64 HZ1 LYS 8 HZ1 LYS 8 -11.137 -0.083 11.863 65 HZ2 LYS 8 HZ2 LYS 8 -12.824 -0.108 11.991 66 HZ3 LYS 8 HZ3 LYS 8 -11.902 0.739 13.128 67 H ILE 9 H ILE 9 -11.272 2.331 7.095 68 HA ILE 9 HA ILE 9 -11.021 -0.309 8.013 69 HB ILE 9 HB ILE 9 -11.196 0.920 5.289 70 HG12 ILE 9 HG13 ILE 9 -12.891 -1.029 6.864 71 HG13 ILE 9 HG12 ILE 9 -13.252 0.666 6.552 72 HG21 ILE 9 HG21 ILE 9 -10.929 -1.127 4.172 73 HG22 ILE 9 HG22 ILE 9 -10.963 -2.049 5.674 74 HG23 ILE 9 HG23 ILE 9 -9.569 -1.041 5.292 75 HD11 ILE 9 HD11 ILE 9 -13.254 0.047 4.092 76 HD12 ILE 9 HD12 ILE 9 -14.596 -0.545 5.071 77 HD13 ILE 9 HD13 ILE 9 -13.278 -1.633 4.632 78 H PHE 10 H PHE 10 -8.839 1.505 6.383 79 HA PHE 10 HA PHE 10 -7.001 -0.622 6.162 80 HB2 PHE 10 HB3 PHE 10 -6.465 0.801 4.506 81 HB3 PHE 10 HB2 PHE 10 -7.156 2.179 5.346 82 HD1 PHE 10 HD1 PHE 10 -4.181 1.179 3.734 83 HD2 PHE 10 HD2 PHE 10 -5.706 3.074 7.151 84 HE1 PHE 10 HE1 PHE 10 -1.899 1.820 4.339 85 HE2 PHE 10 HE2 PHE 10 -3.428 3.722 7.763 86 HZ PHE 10 HZ PHE 10 -1.521 3.093 6.355 87 H VAL 11 H VAL 11 -7.330 1.960 8.382 88 HA VAL 11 HA VAL 11 -4.855 1.947 9.572 89 HB VAL 11 HB VAL 11 -7.548 2.456 10.827 90 HG11 VAL 11 HG11 VAL 11 -6.527 3.295 12.747 91 HG12 VAL 11 HG12 VAL 11 -4.937 3.361 11.989 92 HG13 VAL 11 HG13 VAL 11 -5.642 1.805 12.422 93 HG21 VAL 11 HG21 VAL 11 -7.438 4.382 9.728 94 HG22 VAL 11 HG22 VAL 11 -5.863 3.943 9.064 95 HG23 VAL 11 HG23 VAL 11 -5.965 4.779 10.614 96 H GLN 12 H GLN 12 -7.717 0.161 10.687 97 HA GLN 12 HA GLN 12 -6.044 -1.290 12.652 98 HB2 GLN 12 HB3 GLN 12 -8.186 -2.672 12.953 99 HB3 GLN 12 HB2 GLN 12 -8.272 -0.974 13.400 100 HG2 GLN 12 HG3 GLN 12 -10.034 -0.879 12.064 101 HG3 GLN 12 HG2 GLN 12 -9.010 -0.998 10.737 102 HE21 GLN 12 HE21 GLN 12 -8.268 -3.732 11.386 103 HE22 GLN 12 HE22 GLN 12 -9.625 -4.716 10.967 104 H LYS 13 H LYS 13 -7.733 -1.843 9.769 105 HA LYS 13 HA LYS 13 -7.538 -4.035 8.252 106 HB2 LYS 13 HB3 LYS 13 -8.034 -2.351 7.173 107 HB3 LYS 13 HB2 LYS 13 -6.615 -1.443 7.665 108 HG2 LYS 13 HG3 LYS 13 -6.119 -2.127 5.504 109 HG3 LYS 13 HG2 LYS 13 -5.268 -3.292 6.520 110 HD2 LYS 13 HD3 LYS 13 -6.419 -5.063 5.569 111 HD3 LYS 13 HD2 LYS 13 -7.954 -4.298 5.985 112 HE2 LYS 13 HE3 LYS 13 -7.099 -2.812 3.842 113 HE3 LYS 13 HE2 LYS 13 -6.755 -4.637 3.445 114 HZ1 LYS 13 HZ1 LYS 13 -9.320 -3.925 4.338 115 HZ2 LYS 13 HZ2 LYS 13 -8.723 -5.252 3.477 116 HZ3 LYS 13 HZ3 LYS 13 -8.883 -3.753 2.712 117 H CYS 14 H CYS 14 -4.578 -2.291 8.946 118 HA CYS 14 HA CYS 14 -2.922 -4.426 9.585 119 HB2 CYS 14 HB3 CYS 14 -1.546 -4.850 7.678 120 HB3 CYS 14 HB2 CYS 14 -3.218 -5.515 7.523 121 H ALA 15 H ALA 15 -3.563 -1.306 9.523 122 HA ALA 15 HA ALA 15 -1.328 0.077 8.622 123 HB1 ALA 15 HB1 ALA 15 -2.729 0.791 11.202 124 HB2 ALA 15 HB2 ALA 15 -3.513 0.949 9.591 125 HB3 ALA 15 HB3 ALA 15 -2.034 1.843 9.940 126 H GLN 16 H GLN 16 -1.476 -2.143 11.600 127 HA GLN 16 HA GLN 16 0.809 -1.198 12.948 128 HB2 GLN 16 HB3 GLN 16 0.499 -4.134 12.943 129 HB3 GLN 16 HB2 GLN 16 0.568 -3.010 14.294 130 HG2 GLN 16 HG3 GLN 16 -1.847 -2.305 13.623 131 HG3 GLN 16 HG2 GLN 16 -1.853 -3.745 12.605 132 HE21 GLN 16 HE21 GLN 16 -0.695 -3.014 15.883 133 HE22 GLN 16 HE22 GLN 16 -1.529 -4.318 16.651 134 H CYS 17 H CYS 17 0.598 -3.384 10.207 135 HA CYS 17 HA CYS 17 3.391 -4.052 10.222 136 HB2 CYS 17 HB3 CYS 17 1.560 -4.350 7.852 137 HB3 CYS 17 HB2 CYS 17 2.946 -5.339 8.300 138 H HIS 18 H HIS 18 1.486 -1.468 9.022 139 HA HIS 18 HA HIS 18 3.709 -0.558 7.325 140 HB2 HIS 18 HB3 HIS 18 0.812 0.301 7.231 141 HB3 HIS 18 HB2 HIS 18 2.085 0.815 6.128 142 HD1 HIS 18 HD1 HIS 18 1.809 -0.321 3.960 143 HD2 HIS 18 HD2 HIS 18 0.828 -2.815 7.133 144 HE1 HIS 18 HE1 HIS 18 1.198 -2.521 2.908 145 H THR 19 H THR 19 3.196 -0.275 10.309 146 HA THR 19 HA THR 19 3.368 1.295 11.947 147 HB THR 19 HB THR 19 4.847 2.819 9.795 148 HG1 THR 19 HG1 THR 19 6.658 1.717 10.552 149 HG21 THR 19 HG21 THR 19 5.280 2.886 12.766 150 HG22 THR 19 HG22 THR 19 4.373 4.104 11.867 151 HG23 THR 19 HG23 THR 19 6.088 3.859 11.536 152 H VAL 20 H VAL 20 2.750 3.429 12.685 153 HA VAL 20 HA VAL 20 0.295 4.348 11.342 154 HB VAL 20 HB VAL 20 1.460 5.617 13.816 155 HG11 VAL 20 HG11 VAL 20 -0.728 6.324 12.484 156 HG12 VAL 20 HG12 VAL 20 -0.785 6.243 14.245 157 HG13 VAL 20 HG13 VAL 20 -1.455 4.927 13.281 158 HG21 VAL 20 HG21 VAL 20 0.373 3.921 15.190 159 HG22 VAL 20 HG22 VAL 20 1.639 3.177 14.131 160 HG23 VAL 20 HG23 VAL 20 -0.137 3.035 13.752 161 H GLU 21 H GLU 21 0.852 7.051 12.718 162 HA GLU 21 HA GLU 21 1.584 8.447 10.376 163 HB2 GLU 21 HB3 GLU 21 1.949 10.004 12.795 164 HB3 GLU 21 HB2 GLU 21 0.793 10.219 11.489 165 HG2 GLU 21 HG3 GLU 21 -0.671 8.550 12.515 166 HG3 GLU 21 HG2 GLU 21 0.488 8.349 13.829 167 H LYS 22 H LYS 22 3.497 9.560 9.839 168 HA LYS 22 HA LYS 22 5.941 8.393 10.362 169 HB2 LYS 22 HB3 LYS 22 5.272 10.080 8.530 170 HB3 LYS 22 HB2 LYS 22 5.695 11.317 9.705 171 HG2 LYS 22 HG3 LYS 22 7.500 9.228 8.516 172 HG3 LYS 22 HG2 LYS 22 7.574 10.976 8.289 173 HD2 LYS 22 HD3 LYS 22 8.069 9.480 10.862 174 HD3 LYS 22 HD2 LYS 22 9.289 10.257 9.851 175 HE2 LYS 22 HE3 LYS 22 8.365 12.425 10.305 176 HE3 LYS 22 HE2 LYS 22 6.995 11.712 11.155 177 HZ1 LYS 22 HZ1 LYS 22 9.486 12.449 12.195 178 HZ2 LYS 22 HZ2 LYS 22 9.344 10.770 12.342 179 HZ3 LYS 22 HZ3 LYS 22 8.166 11.779 13.014 180 H GLY 23 H GLY 23 7.163 8.315 12.098 181 HA2 GLY 23 HA3 GLY 23 8.318 10.142 13.610 182 HA3 GLY 23 HA2 GLY 23 6.691 10.202 14.280 183 H GLY 24 H GLY 24 6.217 7.348 13.868 184 HA2 GLY 24 HA3 GLY 24 7.379 6.423 16.336 185 HA3 GLY 24 HA2 GLY 24 6.272 5.530 15.302 186 H LYS 25 H LYS 25 7.196 3.649 14.814 187 HA LYS 25 HA LYS 25 10.052 3.629 14.098 188 HB2 LYS 25 HB3 LYS 25 8.872 1.015 14.524 189 HB3 LYS 25 HB2 LYS 25 10.298 1.734 15.259 190 HG2 LYS 25 HG3 LYS 25 9.164 2.463 17.086 191 HG3 LYS 25 HG2 LYS 25 7.658 2.689 16.198 192 HD2 LYS 25 HD3 LYS 25 8.850 0.056 17.061 193 HD3 LYS 25 HD2 LYS 25 7.441 0.849 17.768 194 HE2 LYS 25 HE3 LYS 25 6.118 -0.100 16.259 195 HE3 LYS 25 HE2 LYS 25 7.054 0.625 14.951 196 HZ1 LYS 25 HZ1 LYS 25 7.069 -2.079 15.934 197 HZ2 LYS 25 HZ2 LYS 25 8.619 -1.431 15.741 198 HZ3 LYS 25 HZ3 LYS 25 7.553 -1.473 14.431 199 H HIS 26 H HIS 26 10.729 2.252 12.347 200 HA HIS 26 HA HIS 26 9.149 2.558 10.038 201 HB2 HIS 26 HB3 HIS 26 11.041 0.457 9.631 202 HB3 HIS 26 HB2 HIS 26 11.105 2.118 9.053 203 HD1 HIS 26 HD1 HIS 26 11.802 0.392 12.385 204 HD2 HIS 26 HD2 HIS 26 13.369 3.314 9.879 205 HE1 HIS 26 HE1 HIS 26 13.901 1.193 13.515 206 HE2 HIS 26 HE2 HIS 26 14.780 3.026 12.027 207 H LYS 27 H LYS 27 7.873 1.168 8.894 208 HA LYS 27 HA LYS 27 6.785 -1.072 10.382 209 HB2 LYS 27 HB3 LYS 27 4.938 -0.926 9.015 210 HB3 LYS 27 HB2 LYS 27 5.513 0.735 8.960 211 HG2 LYS 27 HG3 LYS 27 6.862 -0.514 6.890 212 HG3 LYS 27 HG2 LYS 27 5.236 -1.199 6.832 213 HD2 LYS 27 HD3 LYS 27 5.705 0.960 5.508 214 HD3 LYS 27 HD2 LYS 27 4.240 0.877 6.490 215 HE2 LYS 27 HE3 LYS 27 4.905 2.574 7.772 216 HE3 LYS 27 HE2 LYS 27 6.496 1.854 8.017 217 HZ1 LYS 27 HZ1 LYS 27 7.299 2.853 6.051 218 HZ2 LYS 27 HZ2 LYS 27 6.468 4.070 6.882 219 HZ3 LYS 27 HZ3 LYS 27 5.750 3.316 5.549 220 H THR 28 H THR 28 6.171 -3.050 8.968 221 HA THR 28 HA THR 28 8.592 -4.281 8.146 222 HB THR 28 HB THR 28 5.969 -5.449 7.353 223 HG1 THR 28 HG1 THR 28 6.775 -5.524 10.048 224 HG21 THR 28 HG21 THR 28 6.887 -7.537 7.883 225 HG22 THR 28 HG22 THR 28 8.082 -6.765 9.000 226 HG23 THR 28 HG23 THR 28 8.263 -6.651 7.228 227 H GLY 29 H GLY 29 5.846 -2.900 6.410 228 HA2 GLY 29 HA3 GLY 29 7.466 -3.007 3.952 229 HA3 GLY 29 HA2 GLY 29 5.795 -3.549 3.923 230 HA PRO 30 HA PRO 30 6.693 1.262 3.243 231 HB2 PRO 30 HB3 PRO 30 5.638 0.342 0.555 232 HB3 PRO 30 HB2 PRO 30 6.764 1.660 0.903 233 HG2 PRO 30 HG3 PRO 30 7.651 -0.685 -0.005 234 HG3 PRO 30 HG2 PRO 30 8.556 0.225 1.217 235 HD2 PRO 30 HD3 PRO 30 6.941 -2.277 1.562 236 HD3 PRO 30 HD2 PRO 30 8.335 -1.715 2.507 237 H ASN 31 H ASN 31 5.047 2.297 4.164 238 HA ASN 31 HA ASN 31 2.502 1.316 4.529 239 HB2 ASN 31 HB3 ASN 31 3.786 3.409 5.538 240 HB3 ASN 31 HB2 ASN 31 2.842 4.273 4.330 241 HD21 ASN 31 HD21 ASN 31 2.162 5.168 6.551 242 HD22 ASN 31 HD22 ASN 31 0.690 4.460 7.234 243 H LEU 32 H LEU 32 3.406 3.966 2.229 244 HA LEU 32 HA LEU 32 1.928 2.919 0.167 245 HB2 LEU 32 HB3 LEU 32 0.031 4.428 -0.096 246 HB3 LEU 32 HB2 LEU 32 -0.006 3.468 1.373 247 HG LEU 32 HG LEU 32 -1.023 5.597 1.936 248 HD11 LEU 32 HD11 LEU 32 1.641 5.225 2.877 249 HD12 LEU 32 HD12 LEU 32 0.214 4.544 3.656 250 HD13 LEU 32 HD13 LEU 32 0.481 6.286 3.677 251 HD21 LEU 32 HD21 LEU 32 -0.250 7.559 1.174 252 HD22 LEU 32 HD22 LEU 32 0.420 6.483 -0.052 253 HD23 LEU 32 HD23 LEU 32 1.411 7.001 1.318 254 H HIS 33 H HIS 33 3.432 5.629 1.703 255 HA HIS 33 HA HIS 33 3.532 7.589 -0.204 256 HB2 HIS 33 HB3 HIS 33 4.830 7.076 2.216 257 HB3 HIS 33 HB2 HIS 33 6.132 7.267 1.047 258 HD1 HIS 33 HD1 HIS 33 6.782 9.509 2.234 259 HD2 HIS 33 HD2 HIS 33 3.007 9.485 0.498 260 HE1 HIS 33 HE1 HIS 33 6.066 11.917 2.149 261 HE2 HIS 33 HE2 HIS 33 3.744 11.870 1.174 262 H GLY 34 H GLY 34 4.284 7.703 -2.211 263 HA2 GLY 34 HA3 GLY 34 5.598 7.333 -4.066 264 HA3 GLY 34 HA2 GLY 34 6.753 6.524 -3.018 265 H LEU 35 H LEU 35 3.558 5.334 -2.846 266 HA LEU 35 HA LEU 35 4.266 2.746 -3.653 267 HB2 LEU 35 HB3 LEU 35 2.335 3.332 -2.198 268 HB3 LEU 35 HB2 LEU 35 1.504 3.963 -3.607 269 HG LEU 35 HG LEU 35 1.426 1.755 -4.609 270 HD11 LEU 35 HD11 LEU 35 2.564 -0.108 -3.924 271 HD12 LEU 35 HD12 LEU 35 2.440 0.392 -2.195 272 HD13 LEU 35 HD13 LEU 35 3.645 1.172 -3.220 273 HD21 LEU 35 HD21 LEU 35 0.369 2.081 -1.808 274 HD22 LEU 35 HD22 LEU 35 0.077 0.591 -2.703 275 HD23 LEU 35 HD23 LEU 35 -0.528 2.125 -3.326 276 H PHE 36 H PHE 36 2.486 5.290 -5.382 277 HA PHE 36 HA PHE 36 2.850 3.757 -7.867 278 HB2 PHE 36 HB3 PHE 36 0.929 6.088 -7.770 279 HB3 PHE 36 HB2 PHE 36 0.793 4.573 -8.658 280 HD1 PHE 36 HD1 PHE 36 -0.278 2.608 -7.719 281 HD2 PHE 36 HD2 PHE 36 0.284 6.212 -5.414 282 HE1 PHE 36 HE1 PHE 36 -1.829 1.751 -6.014 283 HE2 PHE 36 HE2 PHE 36 -1.268 5.360 -3.705 284 HZ PHE 36 HZ PHE 36 -2.322 3.153 -3.991 285 H GLY 37 H GLY 37 4.590 5.818 -6.334 286 HA2 GLY 37 HA3 GLY 37 5.136 7.503 -8.701 287 HA3 GLY 37 HA2 GLY 37 5.257 8.123 -7.061 288 H ARG 38 H ARG 38 6.471 5.822 -5.882 289 HA ARG 38 HA ARG 38 9.177 6.267 -6.848 290 HB2 ARG 38 HB3 ARG 38 8.092 4.862 -4.405 291 HB3 ARG 38 HB2 ARG 38 9.805 4.958 -4.793 292 HG2 ARG 38 HG3 ARG 38 9.491 7.485 -4.820 293 HG3 ARG 38 HG2 ARG 38 7.935 7.180 -4.047 294 HD2 ARG 38 HD3 ARG 38 8.912 6.897 -2.070 295 HD3 ARG 38 HD2 ARG 38 9.996 5.676 -2.732 296 HE ARG 38 HE ARG 38 11.612 7.251 -2.444 297 HH11 ARG 38 HH11 ARG 38 8.697 8.850 -3.477 298 HH12 ARG 38 HH12 ARG 38 9.433 10.415 -3.569 299 HH21 ARG 38 HH21 ARG 38 12.592 9.306 -2.560 300 HH22 ARG 38 HH22 ARG 38 11.648 10.674 -3.047 301 H LYS 39 H LYS 39 10.676 4.308 -6.849 302 HA LYS 39 HA LYS 39 9.918 2.559 -8.855 303 HB2 LYS 39 HB3 LYS 39 12.263 2.999 -8.240 304 HB3 LYS 39 HB2 LYS 39 12.037 2.090 -6.753 305 HG2 LYS 39 HG3 LYS 39 13.014 1.072 -9.082 306 HG3 LYS 39 HG2 LYS 39 12.302 0.118 -7.780 307 HD2 LYS 39 HD3 LYS 39 11.335 -0.482 -9.939 308 HD3 LYS 39 HD2 LYS 39 10.120 0.245 -8.887 309 HE2 LYS 39 HE3 LYS 39 10.719 2.443 -10.057 310 HE3 LYS 39 HE2 LYS 39 11.495 1.430 -11.271 311 HZ1 LYS 39 HZ1 LYS 39 9.520 0.660 -12.024 312 HZ2 LYS 39 HZ2 LYS 39 8.970 2.149 -11.438 313 HZ3 LYS 39 HZ3 LYS 39 8.761 0.748 -10.514 314 H THR 40 H THR 40 11.017 0.893 -6.008 315 HA THR 40 HA THR 40 8.443 -0.013 -5.203 316 HB THR 40 HB THR 40 8.948 -2.281 -4.976 317 HG1 THR 40 HG1 THR 40 10.422 -3.476 -5.880 318 HG21 THR 40 HG21 THR 40 8.620 -2.039 -7.727 319 HG22 THR 40 HG22 THR 40 8.906 -2.876 -6.516 320 HG23 THR 40 HG23 THR 40 7.515 -2.894 -6.213 321 H GLY 41 H GLY 41 8.352 0.382 -3.433 322 HA2 GLY 41 HA3 GLY 41 8.839 0.388 -1.190 323 HA3 GLY 41 HA2 GLY 41 9.491 -1.217 -1.477 324 H GLN 42 H GLN 42 10.728 1.809 -2.818 325 HA GLN 42 HA GLN 42 13.279 1.251 -1.483 326 HB2 GLN 42 HB3 GLN 42 13.788 3.308 -3.223 327 HB3 GLN 42 HB2 GLN 42 14.029 1.601 -3.570 328 HG2 GLN 42 HG3 GLN 42 12.803 2.800 -5.339 329 HG3 GLN 42 HG2 GLN 42 11.894 1.457 -4.648 330 HE21 GLN 42 HE21 GLN 42 9.833 1.976 -4.658 331 HE22 GLN 42 HE22 GLN 42 9.158 3.480 -4.140 332 H ALA 43 H ALA 43 11.351 2.292 0.178 333 HA ALA 43 HA ALA 43 11.164 5.046 0.412 334 HB1 ALA 43 HB1 ALA 43 11.262 4.176 3.030 335 HB2 ALA 43 HB2 ALA 43 10.725 2.753 2.137 336 HB3 ALA 43 HB3 ALA 43 9.824 4.265 2.012 337 HA PRO 44 HA PRO 44 15.014 6.496 2.004 338 HB2 PRO 44 HB3 PRO 44 14.393 8.146 4.021 339 HB3 PRO 44 HB2 PRO 44 13.893 8.489 2.361 340 HG2 PRO 44 HG3 PRO 44 12.304 7.323 4.613 341 HG3 PRO 44 HG2 PRO 44 11.826 8.546 3.422 342 HD2 PRO 44 HD3 PRO 44 11.168 5.885 3.243 343 HD3 PRO 44 HD2 PRO 44 11.291 6.973 1.846 344 H GLY 45 H GLY 45 14.108 7.022 5.226 345 HA2 GLY 45 HA3 GLY 45 16.122 5.275 6.225 346 HA3 GLY 45 HA2 GLY 45 14.989 6.208 7.190 347 H PHE 46 H PHE 46 13.293 4.404 4.973 348 HA PHE 46 HA PHE 46 12.363 2.595 7.020 349 HB2 PHE 46 HB3 PHE 46 10.761 3.635 5.485 350 HB3 PHE 46 HB2 PHE 46 11.559 2.865 4.117 351 HD1 PHE 46 HD1 PHE 46 9.742 2.122 7.264 352 HD2 PHE 46 HD2 PHE 46 10.913 0.745 3.414 353 HE1 PHE 46 HE1 PHE 46 8.283 0.158 7.528 354 HE2 PHE 46 HE2 PHE 46 9.457 -1.220 3.670 355 HZ PHE 46 HZ PHE 46 8.139 -1.517 5.728 356 H THR 47 H THR 47 12.788 0.462 7.211 357 HA THR 47 HA THR 47 14.974 -0.613 5.675 358 HB THR 47 HB THR 47 14.027 -1.013 8.241 359 HG1 THR 47 HG1 THR 47 15.716 -2.542 8.327 360 HG21 THR 47 HG21 THR 47 13.684 -3.484 8.336 361 HG22 THR 47 HG22 THR 47 13.412 -3.448 6.595 362 HG23 THR 47 HG23 THR 47 12.331 -2.565 7.675 363 H TYR 48 H TYR 48 14.446 -1.121 3.636 364 HA TYR 48 HA TYR 48 11.936 -2.246 2.882 365 HB2 TYR 48 HB3 TYR 48 13.871 -2.726 0.859 366 HB3 TYR 48 HB2 TYR 48 12.607 -1.503 0.886 367 HD1 TYR 48 HD1 TYR 48 16.038 -2.115 2.235 368 HD2 TYR 48 HD2 TYR 48 13.230 0.725 0.768 369 HE1 TYR 48 HE1 TYR 48 17.758 -0.363 2.352 370 HE2 TYR 48 HE2 TYR 48 14.943 2.485 0.880 371 HH TYR 48 HH TYR 48 18.042 1.940 2.385 372 H THR 49 H THR 49 11.656 -4.286 1.792 373 HA THR 49 HA THR 49 12.912 -6.453 3.222 374 HB THR 49 HB THR 49 11.307 -7.874 2.122 375 HG1 THR 49 HG1 THR 49 9.876 -6.795 0.532 376 HG21 THR 49 HG21 THR 49 9.411 -5.706 2.292 377 HG22 THR 49 HG22 THR 49 10.510 -5.729 3.670 378 HG23 THR 49 HG23 THR 49 9.560 -7.161 3.277 379 H ASP 50 H ASP 50 13.576 -8.437 1.823 380 HA ASP 50 HA ASP 50 15.853 -7.774 0.389 381 HB2 ASP 50 HB3 ASP 50 15.875 -9.987 1.045 382 HB3 ASP 50 HB2 ASP 50 14.184 -10.238 0.626 383 H ALA 51 H ALA 51 12.546 -8.234 -0.705 384 HA ALA 51 HA ALA 51 13.127 -8.167 -3.491 385 HB1 ALA 51 HB1 ALA 51 11.002 -8.791 -3.619 386 HB2 ALA 51 HB2 ALA 51 10.481 -7.238 -2.969 387 HB3 ALA 51 HB3 ALA 51 10.849 -8.572 -1.876 388 H ASN 52 H ASN 52 12.031 -5.716 -1.160 389 HA ASN 52 HA ASN 52 11.734 -3.602 -2.978 390 HB2 ASN 52 HB3 ASN 52 12.445 -3.540 -0.038 391 HB3 ASN 52 HB2 ASN 52 11.966 -2.130 -0.980 392 HD21 ASN 52 HD21 ASN 52 10.173 -4.196 -2.459 393 HD22 ASN 52 HD22 ASN 52 8.765 -4.254 -1.458 394 H LYS 53 H LYS 53 14.519 -4.626 -1.043 395 HA LYS 53 HA LYS 53 16.262 -2.553 -1.748 396 HB2 LYS 53 HB3 LYS 53 18.072 -4.258 -1.228 397 HB3 LYS 53 HB2 LYS 53 16.904 -3.957 0.052 398 HG2 LYS 53 HG3 LYS 53 15.767 -5.999 -0.403 399 HG3 LYS 53 HG2 LYS 53 16.714 -6.264 -1.868 400 HD2 LYS 53 HD3 LYS 53 17.849 -7.623 -0.421 401 HD3 LYS 53 HD2 LYS 53 18.731 -6.116 -0.168 402 HE2 LYS 53 HE3 LYS 53 18.213 -6.191 1.987 403 HE3 LYS 53 HE2 LYS 53 16.504 -6.085 1.570 404 HZ1 LYS 53 HZ1 LYS 53 18.002 -8.324 2.522 405 HZ2 LYS 53 HZ2 LYS 53 17.157 -8.696 1.105 406 HZ3 LYS 53 HZ3 LYS 53 16.326 -8.101 2.455 407 H ASN 54 H ASN 54 15.282 -5.449 -3.418 408 HA ASN 54 HA ASN 54 17.328 -5.326 -5.426 409 HB2 ASN 54 HB3 ASN 54 14.690 -6.811 -5.420 410 HB3 ASN 54 HB2 ASN 54 16.003 -7.062 -6.565 411 HD21 ASN 54 HD21 ASN 54 17.353 -6.337 -3.657 412 HD22 ASN 54 HD22 ASN 54 17.621 -7.934 -3.057 413 H LYS 55 H LYS 55 14.405 -3.705 -4.839 414 HA LYS 55 HA LYS 55 13.381 -2.001 -5.958 415 HB2 LYS 55 HB3 LYS 55 15.680 -2.456 -7.849 416 HB3 LYS 55 HB2 LYS 55 14.414 -1.287 -8.194 417 HG2 LYS 55 HG3 LYS 55 15.230 0.202 -6.745 418 HG3 LYS 55 HG2 LYS 55 15.559 -1.026 -5.520 419 HD2 LYS 55 HD3 LYS 55 17.271 -0.201 -7.849 420 HD3 LYS 55 HD2 LYS 55 17.666 -0.164 -6.128 421 HE2 LYS 55 HE3 LYS 55 17.270 -2.744 -6.293 422 HE3 LYS 55 HE2 LYS 55 17.570 -2.479 -8.009 423 HZ1 LYS 55 HZ1 LYS 55 19.646 -2.972 -7.115 424 HZ2 LYS 55 HZ2 LYS 55 19.399 -2.026 -5.735 425 HZ3 LYS 55 HZ3 LYS 55 19.660 -1.284 -7.232 426 H GLY 56 H GLY 56 11.917 -4.048 -6.024 427 HA2 GLY 56 HA3 GLY 56 11.494 -5.521 -8.334 428 HA3 GLY 56 HA2 GLY 56 10.242 -5.111 -7.173 429 H ILE 57 H ILE 57 8.667 -3.729 -7.776 430 HA ILE 57 HA ILE 57 9.163 -1.896 -9.960 431 HB ILE 57 HB ILE 57 8.014 -4.298 -10.581 432 HG12 ILE 57 HG13 ILE 57 8.893 -3.157 -12.331 433 HG13 ILE 57 HG12 ILE 57 7.194 -2.802 -12.619 434 HG21 ILE 57 HG21 ILE 57 5.929 -3.948 -9.571 435 HG22 ILE 57 HG22 ILE 57 5.680 -3.564 -11.273 436 HG23 ILE 57 HG23 ILE 57 5.869 -2.266 -10.095 437 HD11 ILE 57 HD11 ILE 57 7.423 -0.630 -12.057 438 HD12 ILE 57 HD12 ILE 57 9.083 -0.934 -12.571 439 HD13 ILE 57 HD13 ILE 57 8.669 -0.959 -10.854 440 H THR 58 H THR 58 7.178 -0.507 -10.396 441 HA THR 58 HA THR 58 6.298 0.543 -7.873 442 HB THR 58 HB THR 58 6.750 1.578 -10.442 443 HG1 THR 58 HG1 THR 58 6.269 3.547 -9.368 444 HG21 THR 58 HG21 THR 58 4.393 1.062 -10.987 445 HG22 THR 58 HG22 THR 58 4.764 2.785 -11.005 446 HG23 THR 58 HG23 THR 58 3.897 2.086 -9.638 447 H TRP 59 H TRP 59 4.628 -0.232 -6.859 448 HA TRP 59 HA TRP 59 2.676 -1.925 -8.008 449 HB2 TRP 59 HB3 TRP 59 2.001 -0.538 -5.482 450 HB3 TRP 59 HB2 TRP 59 1.986 -2.259 -5.865 451 HD1 TRP 59 HD1 TRP 59 4.441 0.531 -4.827 452 HE1 TRP 59 HE1 TRP 59 6.484 -0.567 -3.713 453 HE3 TRP 59 HE3 TRP 59 3.263 -4.381 -5.624 454 HZ2 TRP 59 HZ2 TRP 59 7.467 -3.168 -3.232 455 HZ3 TRP 59 HZ3 TRP 59 4.809 -6.113 -4.806 456 HH2 TRP 59 HH2 TRP 59 6.867 -5.517 -3.634 457 H LYS 60 H LYS 60 1.267 -1.235 -9.461 458 HA LYS 60 HA LYS 60 0.051 1.418 -9.152 459 HB2 LYS 60 HB3 LYS 60 0.386 1.574 -11.355 460 HB3 LYS 60 HB2 LYS 60 0.983 -0.079 -11.407 461 HG2 LYS 60 HG3 LYS 60 -0.746 -0.383 -12.799 462 HG3 LYS 60 HG2 LYS 60 -1.673 -0.534 -11.306 463 HD2 LYS 60 HD3 LYS 60 -2.777 1.383 -11.669 464 HD3 LYS 60 HD2 LYS 60 -1.317 2.229 -12.188 465 HE2 LYS 60 HE3 LYS 60 -1.975 0.321 -14.181 466 HE3 LYS 60 HE2 LYS 60 -3.447 1.204 -13.773 467 HZ1 LYS 60 HZ1 LYS 60 -1.514 2.053 -15.475 468 HZ2 LYS 60 HZ2 LYS 60 -1.153 2.903 -14.060 469 HZ3 LYS 60 HZ3 LYS 60 -2.687 3.037 -14.756 470 H GLU 61 H GLU 61 -2.300 1.481 -10.001 471 HA GLU 61 HA GLU 61 -3.893 -0.032 -8.259 472 HB2 GLU 61 HB3 GLU 61 -4.265 2.169 -9.902 473 HB3 GLU 61 HB2 GLU 61 -5.328 0.953 -10.597 474 HG2 GLU 61 HG3 GLU 61 -5.625 0.926 -7.765 475 HG3 GLU 61 HG2 GLU 61 -5.770 2.585 -8.343 476 H GLU 62 H GLU 62 -3.669 -0.242 -11.816 477 HA GLU 62 HA GLU 62 -5.264 -2.544 -12.062 478 HB2 GLU 62 HB3 GLU 62 -4.770 -2.475 -14.307 479 HB3 GLU 62 HB2 GLU 62 -4.401 -0.821 -13.845 480 HG2 GLU 62 HG3 GLU 62 -2.020 -1.456 -13.637 481 HG3 GLU 62 HG2 GLU 62 -2.434 -3.062 -14.234 482 H THR 63 H THR 63 -1.749 -2.159 -11.821 483 HA THR 63 HA THR 63 -1.088 -4.871 -12.207 484 HB THR 63 HB THR 63 0.297 -2.467 -11.695 485 HG1 THR 63 HG1 THR 63 1.615 -3.515 -12.924 486 HG21 THR 63 HG21 THR 63 1.790 -2.818 -9.991 487 HG22 THR 63 HG22 THR 63 1.486 -4.555 -9.937 488 HG23 THR 63 HG23 THR 63 0.294 -3.431 -9.287 489 H LEU 64 H LEU 64 -2.203 -3.086 -9.450 490 HA LEU 64 HA LEU 64 -1.463 -4.996 -7.468 491 HB2 LEU 64 HB3 LEU 64 -2.918 -2.471 -7.593 492 HB3 LEU 64 HB2 LEU 64 -3.624 -3.598 -6.451 493 HG LEU 64 HG LEU 64 -0.774 -2.604 -6.442 494 HD11 LEU 64 HD11 LEU 64 -1.855 -0.852 -5.499 495 HD12 LEU 64 HD12 LEU 64 -1.773 -1.888 -4.073 496 HD13 LEU 64 HD13 LEU 64 -3.251 -1.822 -5.031 497 HD21 LEU 64 HD21 LEU 64 -0.485 -3.866 -4.411 498 HD22 LEU 64 HD22 LEU 64 -0.992 -4.955 -5.702 499 HD23 LEU 64 HD23 LEU 64 -2.153 -4.433 -4.481 500 H MET 65 H MET 65 -4.275 -4.460 -9.497 501 HA MET 65 HA MET 65 -6.087 -6.160 -8.198 502 HB2 MET 65 HB3 MET 65 -5.816 -5.334 -11.086 503 HB3 MET 65 HB2 MET 65 -7.131 -6.352 -10.518 504 HG2 MET 65 HG3 MET 65 -6.526 -3.516 -9.740 505 HG3 MET 65 HG2 MET 65 -7.938 -4.128 -10.601 506 HE1 MET 65 HE1 MET 65 -6.444 -3.059 -7.390 507 HE2 MET 65 HE2 MET 65 -6.000 -4.744 -7.119 508 HE3 MET 65 HE3 MET 65 -7.233 -3.983 -6.112 509 H GLU 66 H GLU 66 -3.681 -6.800 -10.708 510 HA GLU 66 HA GLU 66 -4.342 -9.595 -10.881 511 HB2 GLU 66 HB3 GLU 66 -2.111 -9.630 -12.186 512 HB3 GLU 66 HB2 GLU 66 -3.468 -8.752 -12.877 513 HG2 GLU 66 HG3 GLU 66 -2.552 -6.655 -12.118 514 HG3 GLU 66 HG2 GLU 66 -1.234 -7.497 -11.299 515 H TYR 67 H TYR 67 -1.931 -7.618 -9.268 516 HA TYR 67 HA TYR 67 -0.231 -9.666 -8.373 517 HB2 TYR 67 HB3 TYR 67 0.770 -7.640 -8.043 518 HB3 TYR 67 HB2 TYR 67 -0.743 -6.838 -7.643 519 HD1 TYR 67 HD1 TYR 67 2.155 -8.598 -6.337 520 HD2 TYR 67 HD2 TYR 67 -1.647 -6.963 -5.351 521 HE1 TYR 67 HE1 TYR 67 2.742 -8.685 -3.951 522 HE2 TYR 67 HE2 TYR 67 -1.068 -7.044 -2.962 523 HH TYR 67 HH TYR 67 0.756 -7.203 -1.513 524 H LEU 68 H LEU 68 -3.358 -8.656 -7.337 525 HA LEU 68 HA LEU 68 -3.326 -9.538 -4.673 526 HB2 LEU 68 HB3 LEU 68 -5.502 -9.166 -6.705 527 HB3 LEU 68 HB2 LEU 68 -5.861 -9.846 -5.129 528 HG LEU 68 HG LEU 68 -4.565 -7.152 -5.543 529 HD11 LEU 68 HD11 LEU 68 -6.684 -6.152 -5.137 530 HD12 LEU 68 HD12 LEU 68 -7.429 -7.717 -4.804 531 HD13 LEU 68 HD13 LEU 68 -6.898 -7.323 -6.440 532 HD21 LEU 68 HD21 LEU 68 -4.046 -8.145 -3.398 533 HD22 LEU 68 HD22 LEU 68 -5.753 -8.488 -3.115 534 HD23 LEU 68 HD23 LEU 68 -5.188 -6.818 -3.184 535 H GLU 69 H GLU 69 -3.207 -11.278 -7.589 536 HA GLU 69 HA GLU 69 -4.553 -13.642 -6.911 537 HB2 GLU 69 HB3 GLU 69 -3.171 -12.726 -9.105 538 HB3 GLU 69 HB2 GLU 69 -2.134 -14.022 -8.522 539 HG2 GLU 69 HG3 GLU 69 -3.996 -15.581 -8.626 540 HG3 GLU 69 HG2 GLU 69 -5.062 -14.286 -9.166 541 H ASN 70 H ASN 70 -1.026 -13.556 -7.228 542 HA ASN 70 HA ASN 70 -0.849 -15.123 -4.738 543 HB2 ASN 70 HB3 ASN 70 0.555 -15.412 -7.367 544 HB3 ASN 70 HB2 ASN 70 1.377 -15.917 -5.893 545 HD21 ASN 70 HD21 ASN 70 -0.968 -16.689 -8.231 546 HD22 ASN 70 HD22 ASN 70 -1.504 -18.180 -7.544 547 HA PRO 71 HA PRO 71 1.206 -11.156 -3.680 548 HB2 PRO 71 HB3 PRO 71 1.181 -12.654 -1.100 549 HB3 PRO 71 HB2 PRO 71 0.765 -10.967 -1.427 550 HG2 PRO 71 HG3 PRO 71 -1.142 -12.774 -0.999 551 HG3 PRO 71 HG2 PRO 71 -1.348 -11.502 -2.218 552 HD2 PRO 71 HD3 PRO 71 -0.736 -14.397 -2.585 553 HD3 PRO 71 HD2 PRO 71 -1.708 -13.311 -3.598 554 H LYS 72 H LYS 72 2.120 -14.478 -2.940 555 HA LYS 72 HA LYS 72 4.842 -13.796 -2.300 556 HB2 LYS 72 HB3 LYS 72 4.822 -15.825 -1.371 557 HB3 LYS 72 HB2 LYS 72 3.171 -16.036 -1.937 558 HG2 LYS 72 HG3 LYS 72 4.159 -17.876 -2.851 559 HG3 LYS 72 HG2 LYS 72 4.366 -16.724 -4.171 560 HD2 LYS 72 HD3 LYS 72 6.559 -16.474 -2.355 561 HD3 LYS 72 HD2 LYS 72 6.358 -18.174 -2.788 562 HE2 LYS 72 HE3 LYS 72 6.038 -16.701 -5.163 563 HE3 LYS 72 HE2 LYS 72 7.441 -16.020 -4.340 564 HZ1 LYS 72 HZ1 LYS 72 8.405 -18.220 -4.208 565 HZ2 LYS 72 HZ2 LYS 72 8.043 -17.848 -5.818 566 HZ3 LYS 72 HZ3 LYS 72 7.044 -18.900 -4.950 567 H LYS 73 H LYS 73 3.049 -14.582 -5.137 568 HA LYS 73 HA LYS 73 5.208 -15.517 -6.734 569 HB2 LYS 73 HB3 LYS 73 3.699 -15.588 -8.482 570 HB3 LYS 73 HB2 LYS 73 2.622 -15.697 -7.097 571 HG2 LYS 73 HG3 LYS 73 1.510 -14.081 -8.196 572 HG3 LYS 73 HG2 LYS 73 2.689 -13.032 -7.406 573 HD2 LYS 73 HD3 LYS 73 2.322 -12.734 -9.926 574 HD3 LYS 73 HD2 LYS 73 3.986 -12.836 -9.344 575 HE2 LYS 73 HE3 LYS 73 3.454 -14.190 -11.406 576 HE3 LYS 73 HE2 LYS 73 4.205 -15.074 -10.077 577 HZ1 LYS 73 HZ1 LYS 73 1.861 -15.703 -9.423 578 HZ2 LYS 73 HZ2 LYS 73 2.461 -16.420 -10.832 579 HZ3 LYS 73 HZ3 LYS 73 1.374 -15.128 -10.938 580 H TYR 74 H TYR 74 3.961 -12.359 -5.930 581 HA TYR 74 HA TYR 74 5.474 -11.008 -7.984 582 HB2 TYR 74 HB3 TYR 74 3.534 -10.236 -5.887 583 HB3 TYR 74 HB2 TYR 74 4.734 -9.016 -6.307 584 HD1 TYR 74 HD1 TYR 74 2.219 -11.294 -7.851 585 HD2 TYR 74 HD2 TYR 74 4.391 -7.648 -8.159 586 HE1 TYR 74 HE1 TYR 74 0.887 -10.675 -9.823 587 HE2 TYR 74 HE2 TYR 74 3.064 -7.019 -10.132 588 HH TYR 74 HH TYR 74 0.812 -9.252 -11.622 589 H ILE 75 H ILE 75 5.685 -11.420 -4.467 590 HA ILE 75 HA ILE 75 8.517 -10.651 -4.635 591 HB ILE 75 HB ILE 75 6.504 -9.687 -2.612 592 HG12 ILE 75 HG13 ILE 75 6.584 -8.147 -4.364 593 HG13 ILE 75 HG12 ILE 75 7.762 -7.495 -3.229 594 HG21 ILE 75 HG21 ILE 75 8.524 -8.651 -1.482 595 HG22 ILE 75 HG22 ILE 75 9.501 -9.784 -2.415 596 HG23 ILE 75 HG23 ILE 75 8.306 -10.387 -1.268 597 HD11 ILE 75 HD11 ILE 75 9.082 -7.377 -5.025 598 HD12 ILE 75 HD12 ILE 75 8.128 -8.556 -5.928 599 HD13 ILE 75 HD13 ILE 75 9.326 -9.102 -4.754 600 HA PRO 76 HA PRO 76 7.991 -14.861 -2.724 601 HB2 PRO 76 HB3 PRO 76 10.697 -15.073 -3.920 602 HB3 PRO 76 HB2 PRO 76 9.340 -16.201 -4.001 603 HG2 PRO 76 HG3 PRO 76 10.018 -14.718 -6.113 604 HG3 PRO 76 HG2 PRO 76 8.318 -15.052 -5.736 605 HD2 PRO 76 HD3 PRO 76 9.911 -12.564 -5.272 606 HD3 PRO 76 HD2 PRO 76 8.220 -12.742 -5.791 607 H GLY 77 H GLY 77 8.629 -15.309 -0.702 608 HA2 GLY 77 HA3 GLY 77 10.370 -15.553 0.948 609 HA3 GLY 77 HA2 GLY 77 11.149 -14.133 0.268 610 H THR 78 H THR 78 8.288 -12.950 0.151 611 HA THR 78 HA THR 78 8.379 -11.910 2.890 612 HB THR 78 HB THR 78 8.210 -10.602 0.479 613 HG1 THR 78 HG1 THR 78 7.232 -9.613 2.945 614 HG21 THR 78 HG21 THR 78 5.770 -11.379 0.421 615 HG22 THR 78 HG22 THR 78 6.115 -9.672 0.145 616 HG23 THR 78 HG23 THR 78 5.519 -10.209 1.716 617 H LYS 79 H LYS 79 6.856 -12.385 4.328 618 HA LYS 79 HA LYS 79 4.445 -13.779 3.385 619 HB2 LYS 79 HB3 LYS 79 6.153 -14.822 5.067 620 HB3 LYS 79 HB2 LYS 79 5.351 -13.787 6.242 621 HG2 LYS 79 HG3 LYS 79 4.557 -16.232 5.921 622 HG3 LYS 79 HG2 LYS 79 3.366 -14.943 6.111 623 HD2 LYS 79 HD3 LYS 79 2.830 -16.543 4.283 624 HD3 LYS 79 HD2 LYS 79 2.982 -14.868 3.742 625 HE2 LYS 79 HE3 LYS 79 4.085 -16.505 2.237 626 HE3 LYS 79 HE2 LYS 79 5.182 -15.284 2.879 627 HZ1 LYS 79 HZ1 LYS 79 6.079 -17.580 2.914 628 HZ2 LYS 79 HZ2 LYS 79 4.880 -18.003 4.030 629 HZ3 LYS 79 HZ3 LYS 79 6.044 -16.845 4.438 630 H MET 80 H MET 80 2.410 -13.063 4.077 631 HA MET 80 HA MET 80 2.447 -10.427 5.377 632 HB2 MET 80 HB3 MET 80 1.334 -10.797 3.093 633 HB3 MET 80 HB2 MET 80 0.083 -11.662 3.978 634 HG2 MET 80 HG3 MET 80 -0.844 -9.590 3.902 635 HG3 MET 80 HG2 MET 80 0.043 -9.469 5.420 636 HE1 MET 80 HE1 MET 80 2.115 -9.565 2.128 637 HE2 MET 80 HE2 MET 80 1.927 -7.923 1.512 638 HE3 MET 80 HE3 MET 80 0.544 -9.015 1.548 639 H ILE 81 H ILE 81 2.137 -10.510 7.096 640 HA ILE 81 HA ILE 81 0.342 -12.567 8.594 641 HB ILE 81 HB ILE 81 2.332 -10.663 9.936 642 HG12 ILE 81 HG13 ILE 81 3.234 -13.125 10.457 643 HG13 ILE 81 HG12 ILE 81 2.307 -13.496 9.003 644 HG21 ILE 81 HG21 ILE 81 1.308 -12.920 11.525 645 HG22 ILE 81 HG22 ILE 81 0.179 -11.572 11.288 646 HG23 ILE 81 HG23 ILE 81 1.768 -11.290 12.014 647 HD11 ILE 81 HD11 ILE 81 4.360 -13.045 8.107 648 HD12 ILE 81 HD12 ILE 81 4.751 -11.832 9.328 649 HD13 ILE 81 HD13 ILE 81 3.618 -11.443 8.038 650 H PHE 82 H PHE 82 -1.632 -11.941 9.746 651 HA PHE 82 HA PHE 82 -3.168 -10.627 10.866 652 HB2 PHE 82 HB3 PHE 82 -1.072 -9.157 11.408 653 HB3 PHE 82 HB2 PHE 82 -1.700 -8.117 10.135 654 HD1 PHE 82 HD1 PHE 82 -2.302 -9.470 13.486 655 HD2 PHE 82 HD2 PHE 82 -3.706 -6.837 10.450 656 HE1 PHE 82 HE1 PHE 82 -3.839 -8.432 15.102 657 HE2 PHE 82 HE2 PHE 82 -5.245 -5.793 12.061 658 HZ PHE 82 HZ PHE 82 -5.312 -6.591 14.390 659 H ALA 83 H ALA 83 -4.827 -8.975 10.250 660 HA ALA 83 HA ALA 83 -5.363 -7.538 8.169 661 HB1 ALA 83 HB1 ALA 83 -6.100 -9.328 6.358 662 HB2 ALA 83 HB2 ALA 83 -4.812 -10.261 7.120 663 HB3 ALA 83 HB3 ALA 83 -4.460 -8.681 6.417 664 H GLY 84 H GLY 84 -7.054 -7.098 9.613 665 HA2 GLY 84 HA3 GLY 84 -9.079 -9.080 10.149 666 HA3 GLY 84 HA2 GLY 84 -9.108 -7.396 10.649 667 H ILE 85 H ILE 85 -8.472 -7.854 7.344 668 HA ILE 85 HA ILE 85 -11.308 -7.497 6.650 669 HB ILE 85 HB ILE 85 -9.013 -5.885 5.533 670 HG12 ILE 85 HG13 ILE 85 -10.535 -5.464 7.828 671 HG13 ILE 85 HG12 ILE 85 -9.559 -4.265 6.987 672 HG21 ILE 85 HG21 ILE 85 -11.939 -5.822 4.812 673 HG22 ILE 85 HG22 ILE 85 -10.642 -6.473 3.810 674 HG23 ILE 85 HG23 ILE 85 -10.691 -4.748 4.179 675 HD11 ILE 85 HD11 ILE 85 -11.692 -3.954 5.535 676 HD12 ILE 85 HD12 ILE 85 -11.591 -3.211 7.132 677 HD13 ILE 85 HD13 ILE 85 -12.501 -4.704 6.909 678 H LYS 86 H LYS 86 -11.943 -8.305 4.649 679 HA LYS 86 HA LYS 86 -9.971 -9.565 2.932 680 HB2 LYS 86 HB3 LYS 86 -11.588 -11.667 3.008 681 HB3 LYS 86 HB2 LYS 86 -10.239 -11.500 4.123 682 HG2 LYS 86 HG3 LYS 86 -12.499 -10.195 5.252 683 HG3 LYS 86 HG2 LYS 86 -12.984 -11.805 4.716 684 HD2 LYS 86 HD3 LYS 86 -11.515 -12.868 6.143 685 HD3 LYS 86 HD2 LYS 86 -10.439 -11.475 6.240 686 HE2 LYS 86 HE3 LYS 86 -12.531 -10.358 7.377 687 HE3 LYS 86 HE2 LYS 86 -12.970 -12.034 7.708 688 HZ1 LYS 86 HZ1 LYS 86 -10.286 -10.998 8.376 689 HZ2 LYS 86 HZ2 LYS 86 -11.085 -12.347 9.007 690 HZ3 LYS 86 HZ3 LYS 86 -11.588 -10.790 9.437 691 H LYS 87 H LYS 87 -13.353 -8.874 3.618 692 HA LYS 87 HA LYS 87 -14.703 -9.471 1.395 693 HB2 LYS 87 HB3 LYS 87 -15.001 -7.591 3.451 694 HB3 LYS 87 HB2 LYS 87 -15.198 -6.682 1.960 695 HG2 LYS 87 HG3 LYS 87 -17.289 -7.395 1.861 696 HG3 LYS 87 HG2 LYS 87 -16.681 -9.036 1.629 697 HD2 LYS 87 HD3 LYS 87 -16.500 -9.164 4.161 698 HD3 LYS 87 HD2 LYS 87 -17.455 -7.681 4.201 699 HE2 LYS 87 HE3 LYS 87 -18.784 -9.783 4.458 700 HE3 LYS 87 HE2 LYS 87 -19.295 -8.748 3.125 701 HZ1 LYS 87 HZ1 LYS 87 -19.022 -11.278 2.752 702 HZ2 LYS 87 HZ2 LYS 87 -17.375 -10.918 2.624 703 HZ3 LYS 87 HZ3 LYS 87 -18.481 -10.203 1.565 704 H LYS 88 H LYS 88 -14.241 -9.336 -0.697 705 HA LYS 88 HA LYS 88 -12.193 -7.925 -1.866 706 HB2 LYS 88 HB3 LYS 88 -13.367 -9.720 -3.017 707 HB3 LYS 88 HB2 LYS 88 -14.827 -8.742 -3.104 708 HG2 LYS 88 HG3 LYS 88 -13.837 -7.242 -4.647 709 HG3 LYS 88 HG2 LYS 88 -12.233 -7.936 -4.392 710 HD2 LYS 88 HD3 LYS 88 -14.461 -8.874 -6.073 711 HD3 LYS 88 HD2 LYS 88 -12.720 -9.076 -6.278 712 HE2 LYS 88 HE3 LYS 88 -13.687 -11.234 -5.904 713 HE3 LYS 88 HE2 LYS 88 -12.772 -10.782 -4.467 714 HZ1 LYS 88 HZ1 LYS 88 -15.416 -11.564 -4.584 715 HZ2 LYS 88 HZ2 LYS 88 -15.455 -9.907 -4.249 716 HZ3 LYS 88 HZ3 LYS 88 -14.591 -10.953 -3.239 717 H THR 89 H THR 89 -15.506 -6.892 -1.278 718 HA THR 89 HA THR 89 -15.344 -4.464 -2.739 719 HB THR 89 HB THR 89 -17.474 -4.020 -1.960 720 HG1 THR 89 HG1 THR 89 -17.351 -3.801 0.161 721 HG21 THR 89 HG21 THR 89 -17.362 -6.952 -1.329 722 HG22 THR 89 HG22 THR 89 -17.419 -6.301 -2.968 723 HG23 THR 89 HG23 THR 89 -18.756 -6.010 -1.855 724 H GLU 90 H GLU 90 -14.480 -5.397 0.506 725 HA GLU 90 HA GLU 90 -14.231 -2.735 1.527 726 HB2 GLU 90 HB3 GLU 90 -12.990 -5.286 2.573 727 HB3 GLU 90 HB2 GLU 90 -13.179 -3.779 3.459 728 HG2 GLU 90 HG3 GLU 90 -15.652 -4.931 2.358 729 HG3 GLU 90 HG2 GLU 90 -14.871 -5.859 3.637 730 H ARG 91 H ARG 91 -11.969 -5.191 0.365 731 HA ARG 91 HA ARG 91 -9.604 -3.717 0.722 732 HB2 ARG 91 HB3 ARG 91 -10.131 -5.921 -1.222 733 HB3 ARG 91 HB2 ARG 91 -8.586 -5.093 -1.076 734 HG2 ARG 91 HG3 ARG 91 -9.046 -5.751 1.505 735 HG3 ARG 91 HG2 ARG 91 -9.841 -7.100 0.670 736 HD2 ARG 91 HD3 ARG 91 -7.199 -6.916 -0.601 737 HD3 ARG 91 HD2 ARG 91 -7.091 -6.637 1.135 738 HE ARG 91 HE ARG 91 -8.431 -8.770 1.140 739 HH11 ARG 91 HH11 ARG 91 -6.025 -7.802 -1.184 740 HH12 ARG 91 HH12 ARG 91 -5.508 -9.421 -1.517 741 HH21 ARG 91 HH21 ARG 91 -7.759 -10.907 0.709 742 HH22 ARG 91 HH22 ARG 91 -6.494 -11.188 -0.441 743 H GLU 92 H GLU 92 -11.627 -4.161 -2.170 744 HA GLU 92 HA GLU 92 -10.151 -2.525 -3.886 745 HB2 GLU 92 HB3 GLU 92 -12.013 -4.118 -4.510 746 HB3 GLU 92 HB2 GLU 92 -13.145 -2.884 -3.975 747 HG2 GLU 92 HG3 GLU 92 -12.916 -2.777 -6.358 748 HG3 GLU 92 HG2 GLU 92 -12.199 -1.334 -5.640 749 H ASP 93 H ASP 93 -12.749 -1.751 -1.624 750 HA ASP 93 HA ASP 93 -13.198 0.901 -2.393 751 HB2 ASP 93 HB3 ASP 93 -14.757 -0.067 -0.897 752 HB3 ASP 93 HB2 ASP 93 -13.500 -0.523 0.246 753 H GLY 94 H GLY 94 -10.950 -0.441 0.012 754 HA2 GLY 94 HA3 GLY 94 -9.879 1.986 0.912 755 HA3 GLY 94 HA2 GLY 94 -9.051 0.435 0.957 756 H ILE 95 H ILE 95 -9.082 0.002 -1.883 757 HA ILE 95 HA ILE 95 -6.677 1.248 -2.596 758 HB ILE 95 HB ILE 95 -8.669 -0.447 -3.975 759 HG12 ILE 95 HG13 ILE 95 -5.670 -0.437 -3.654 760 HG13 ILE 95 HG12 ILE 95 -6.831 -1.485 -2.842 761 HG21 ILE 95 HG21 ILE 95 -8.532 0.596 -5.935 762 HG22 ILE 95 HG22 ILE 95 -6.850 0.072 -5.989 763 HG23 ILE 95 HG23 ILE 95 -7.255 1.670 -5.362 764 HD11 ILE 95 HD11 ILE 95 -6.519 -1.495 -5.818 765 HD12 ILE 95 HD12 ILE 95 -7.231 -2.723 -4.770 766 HD13 ILE 95 HD13 ILE 95 -5.488 -2.461 -4.760 767 H ALA 96 H ALA 96 -10.039 2.049 -3.355 768 HA ALA 96 HA ALA 96 -9.588 4.020 -5.283 769 HB1 ALA 96 HB1 ALA 96 -11.814 3.184 -4.839 770 HB2 ALA 96 HB2 ALA 96 -11.787 4.932 -4.601 771 HB3 ALA 96 HB3 ALA 96 -11.774 3.851 -3.207 772 H TYR 97 H TYR 97 -9.832 4.283 -1.753 773 HA TYR 97 HA TYR 97 -9.398 7.052 -1.569 774 HB2 TYR 97 HB3 TYR 97 -10.216 5.949 0.369 775 HB3 TYR 97 HB2 TYR 97 -8.902 4.780 0.354 776 HD1 TYR 97 HD1 TYR 97 -7.946 5.087 2.477 777 HD2 TYR 97 HD2 TYR 97 -8.648 8.470 -0.007 778 HE1 TYR 97 HE1 TYR 97 -6.677 6.494 4.043 779 HE2 TYR 97 HE2 TYR 97 -7.380 9.886 1.553 780 HH TYR 97 HH TYR 97 -5.560 8.539 4.194 781 H LEU 98 H LEU 98 -7.220 4.309 -1.753 782 HA LEU 98 HA LEU 98 -4.807 5.642 -1.189 783 HB2 LEU 98 HB3 LEU 98 -5.596 3.050 -1.829 784 HB3 LEU 98 HB2 LEU 98 -4.542 3.513 -3.149 785 HG LEU 98 HG LEU 98 -3.745 3.730 -0.250 786 HD11 LEU 98 HD11 LEU 98 -2.290 1.672 -1.342 787 HD12 LEU 98 HD12 LEU 98 -3.907 1.405 -1.999 788 HD13 LEU 98 HD13 LEU 98 -3.668 1.498 -0.255 789 HD21 LEU 98 HD21 LEU 98 -2.256 3.925 -2.859 790 HD22 LEU 98 HD22 LEU 98 -1.457 3.713 -1.301 791 HD23 LEU 98 HD23 LEU 98 -2.424 5.157 -1.608 792 H LYS 99 H LYS 99 -6.675 5.259 -4.136 793 HA LYS 99 HA LYS 99 -4.771 6.088 -6.002 794 HB2 LYS 99 HB3 LYS 99 -7.723 6.699 -6.165 795 HB3 LYS 99 HB2 LYS 99 -6.595 6.478 -7.497 796 HG2 LYS 99 HG3 LYS 99 -7.543 4.358 -5.582 797 HG3 LYS 99 HG2 LYS 99 -8.003 4.537 -7.276 798 HD2 LYS 99 HD3 LYS 99 -6.312 2.866 -6.608 799 HD3 LYS 99 HD2 LYS 99 -5.381 4.414 -7.619 800 HE2 LYS 99 HE3 LYS 99 -4.182 3.689 -5.897 801 HE3 LYS 99 HE2 LYS 99 -5.611 3.854 -4.879 802 HZ1 LYS 99 HZ1 LYS 99 -4.289 1.512 -5.606 803 HZ2 LYS 99 HZ2 LYS 99 -5.808 1.469 -6.346 804 HZ3 LYS 99 HZ3 LYS 99 -5.691 1.667 -4.672 805 H LYS 100 H LYS 100 -7.085 7.977 -4.088 806 HA LYS 100 HA LYS 100 -6.236 10.477 -5.216 807 HB2 LYS 100 HB3 LYS 100 -8.289 10.946 -4.434 808 HB3 LYS 100 HB2 LYS 100 -8.277 9.549 -3.369 809 HG2 LYS 100 HG3 LYS 100 -6.936 10.858 -1.748 810 HG3 LYS 100 HG2 LYS 100 -7.114 12.265 -2.797 811 HD2 LYS 100 HD3 LYS 100 -9.282 10.755 -1.350 812 HD3 LYS 100 HD2 LYS 100 -8.780 12.429 -1.102 813 HE2 LYS 100 HE3 LYS 100 -9.877 11.447 -3.723 814 HE3 LYS 100 HE2 LYS 100 -10.918 12.042 -2.430 815 HZ1 LYS 100 HZ1 LYS 100 -9.484 13.520 -4.332 816 HZ2 LYS 100 HZ2 LYS 100 -8.868 13.899 -2.803 817 HZ3 LYS 100 HZ3 LYS 100 -10.519 14.090 -3.121 818 H ALA 101 H ALA 101 -5.580 8.620 -2.343 819 HA ALA 101 HA ALA 101 -4.184 10.464 -0.799 820 HB1 ALA 101 HB1 ALA 101 -3.426 7.570 -0.834 821 HB2 ALA 101 HB2 ALA 101 -5.005 8.078 -0.233 822 HB3 ALA 101 HB3 ALA 101 -3.534 8.681 0.531 823 H THR 102 H THR 102 -3.225 8.685 -3.603 824 HA THR 102 HA THR 102 -0.443 9.558 -3.238 825 HB THR 102 HB THR 102 -0.391 7.286 -3.829 826 HG1 THR 102 HG1 THR 102 -0.877 7.989 -5.499 827 HG21 THR 102 HG21 THR 102 -2.890 7.854 -5.206 828 HG22 THR 102 HG22 THR 102 -2.307 6.361 -4.471 829 HG23 THR 102 HG23 THR 102 -1.811 6.790 -6.108 830 H ASN 103 H ASN 103 -3.380 10.050 -4.873 831 HA ASN 103 HA ASN 103 -2.373 12.450 -6.067 832 HB2 ASN 103 HB3 ASN 103 -3.778 10.746 -8.056 833 HB3 ASN 103 HB2 ASN 103 -2.532 11.967 -8.301 834 HD21 ASN 103 HD21 ASN 103 -3.136 8.665 -7.295 835 HD22 ASN 103 HD22 ASN 103 -1.543 8.077 -7.610 836 H GLU 104 H GLU 104 -3.847 13.784 -5.306 837 HA GLU 104 HA GLU 104 -6.276 14.331 -6.182 838 HB2 GLU 104 HB3 GLU 104 -6.443 11.967 -4.385 839 HB3 GLU 104 HB2 GLU 104 -7.721 13.167 -4.288 840 HG2 GLU 104 HG3 GLU 104 -7.080 12.398 -7.020 841 HG3 GLU 104 HG2 GLU 104 -7.631 11.052 -6.026 842 HHA HEC 201 HHA HEC 201 5.261 -5.238 0.496 843 HHB HEC 201 HHB HEC 201 -0.298 -2.485 0.351 844 HHC HEC 201 HHC HEC 201 -1.980 -6.213 5.160 845 HHD HEC 201 HHD HEC 201 4.141 -6.040 6.791 846 HMA1 HEC 201 HMA1 HEC 201 1.063 -1.174 -1.187 847 HMA2 HEC 201 HMA2 HEC 201 2.673 -0.360 -0.651 848 HMA3 HEC 201 HMA3 HEC 201 2.473 -1.612 -1.495 849 HAA1 HEC 201 HAA1 HEC 201 5.130 -3.074 -1.373 850 HAA2 HEC 201 HAA2 HEC 201 5.716 -2.471 0.185 851 HBA1 HEC 201 HBA1 HEC 201 4.264 -0.410 -0.195 852 HBA2 HEC 201 HBA2 HEC 201 4.000 -1.008 -1.846 853 HMB1 HEC 201 HMB1 HEC 201 -3.477 -1.978 2.043 854 HMB2 HEC 201 HMB2 HEC 201 -3.566 -3.238 0.796 855 HMB3 HEC 201 HMB3 HEC 201 -2.289 -1.994 0.716 856 HAB HEC 201 HAB HEC 201 -3.807 -3.350 4.522 857 HBB1 HEC 201 HBB1 HEC 201 -5.253 -5.281 2.711 858 HBB2 HEC 201 HBB2 HEC 201 -4.605 -3.787 2.001 859 HBB3 HEC 201 HBB3 HEC 201 -5.719 -3.701 3.394 860 HMC1 HEC 201 HMC1 HEC 201 -0.872 -7.743 8.479 861 HMC2 HEC 201 HMC2 HEC 201 -1.855 -7.845 6.877 862 HMC3 HEC 201 HMC3 HEC 201 -0.515 -8.483 7.213 863 HAC HEC 201 HAC HEC 201 3.056 -7.054 8.240 864 HBC1 HEC 201 HBC1 HEC 201 3.329 -9.442 7.683 865 HBC2 HEC 201 HBC2 HEC 201 1.677 -9.751 8.255 866 HBC3 HEC 201 HBC3 HEC 201 2.930 -9.201 9.402 867 HMD1 HEC 201 HMD1 HEC 201 6.059 -7.248 6.376 868 HMD2 HEC 201 HMD2 HEC 201 7.217 -5.955 6.002 869 HMD3 HEC 201 HMD3 HEC 201 7.302 -7.509 5.127 870 HAD1 HEC 201 HAD1 HEC 201 8.023 -6.492 3.170 871 HAD2 HEC 201 HAD2 HEC 201 7.635 -5.047 2.221 872 HBD1 HEC 201 HBD1 HEC 201 7.928 -7.699 1.291 873 HBD2 HEC 201 HBD2 HEC 201 7.405 -6.275 0.369 Start of MODEL 5 1 H1 GLY 1 1H GLY 1 -19.203 4.166 -0.476 2 H2 GLY 1 2H GLY 1 -18.582 3.660 -1.965 3 H3 GLY 1 3H GLY 1 -18.746 5.310 -1.637 4 HA2 GLY 1 HA2 GLY 1 -17.142 3.900 0.295 5 HA3 GLY 1 HA3 GLY 1 -16.473 3.884 -1.330 6 H ASP 2 H ASP 2 -16.381 5.403 1.542 7 HA ASP 2 HA ASP 2 -15.772 7.976 0.242 8 HB2 ASP 2 HB3 ASP 2 -16.418 7.610 3.220 9 HB3 ASP 2 HB2 ASP 2 -16.436 9.114 2.208 10 H VAL 3 H VAL 3 -14.004 9.219 1.152 11 HA VAL 3 HA VAL 3 -11.659 7.701 1.471 12 HB VAL 3 HB VAL 3 -12.336 10.588 1.644 13 HG11 VAL 3 HG11 VAL 3 -11.026 10.621 3.559 14 HG12 VAL 3 HG12 VAL 3 -9.856 10.953 2.282 15 HG13 VAL 3 HG13 VAL 3 -9.967 9.336 2.978 16 HG21 VAL 3 HG21 VAL 3 -11.562 10.339 -0.435 17 HG22 VAL 3 HG22 VAL 3 -10.851 8.766 -0.069 18 HG23 VAL 3 HG23 VAL 3 -9.957 10.243 0.292 19 H GLU 4 H GLU 4 -13.709 9.389 3.812 20 HA GLU 4 HA GLU 4 -12.101 9.048 6.123 21 HB2 GLU 4 HB3 GLU 4 -14.013 10.526 6.160 22 HB3 GLU 4 HB2 GLU 4 -15.110 9.182 5.878 23 HG2 GLU 4 HG3 GLU 4 -14.246 8.236 8.081 24 HG3 GLU 4 HG2 GLU 4 -13.550 9.832 8.354 25 H LYS 5 H LYS 5 -14.640 6.941 4.814 26 HA LYS 5 HA LYS 5 -14.496 4.987 6.844 27 HB2 LYS 5 HB3 LYS 5 -15.337 4.605 3.965 28 HB3 LYS 5 HB2 LYS 5 -15.739 3.598 5.337 29 HG2 LYS 5 HG3 LYS 5 -16.650 6.009 6.159 30 HG3 LYS 5 HG2 LYS 5 -16.981 6.040 4.425 31 HD2 LYS 5 HD3 LYS 5 -17.680 3.522 5.759 32 HD3 LYS 5 HD2 LYS 5 -18.608 4.922 6.300 33 HE2 LYS 5 HE3 LYS 5 -19.861 4.795 4.474 34 HE3 LYS 5 HE2 LYS 5 -18.430 5.044 3.476 35 HZ1 LYS 5 HZ1 LYS 5 -19.971 2.712 3.779 36 HZ2 LYS 5 HZ2 LYS 5 -18.401 2.394 4.321 37 HZ3 LYS 5 HZ3 LYS 5 -18.651 2.980 2.754 38 H GLY 6 H GLY 6 -12.790 5.394 3.787 39 HA2 GLY 6 HA3 GLY 6 -11.535 2.873 3.699 40 HA3 GLY 6 HA2 GLY 6 -10.955 4.332 2.913 41 H LYS 7 H LYS 7 -10.489 5.917 5.096 42 HA LYS 7 HA LYS 7 -7.908 5.172 5.766 43 HB2 LYS 7 HB3 LYS 7 -8.306 7.439 6.017 44 HB3 LYS 7 HB2 LYS 7 -9.833 7.183 6.854 45 HG2 LYS 7 HG3 LYS 7 -7.698 6.094 8.415 46 HG3 LYS 7 HG2 LYS 7 -7.322 7.761 7.970 47 HD2 LYS 7 HD3 LYS 7 -10.006 7.825 8.682 48 HD3 LYS 7 HD2 LYS 7 -9.268 6.740 9.861 49 HE2 LYS 7 HE3 LYS 7 -8.761 8.638 10.950 50 HE3 LYS 7 HE2 LYS 7 -7.441 8.740 9.785 51 HZ1 LYS 7 HZ1 LYS 7 -8.351 10.771 9.472 52 HZ2 LYS 7 HZ2 LYS 7 -9.903 10.293 9.942 53 HZ3 LYS 7 HZ3 LYS 7 -9.337 9.918 8.393 54 H LYS 8 H LYS 8 -10.938 4.891 7.669 55 HA LYS 8 HA LYS 8 -9.782 3.829 10.014 56 HB2 LYS 8 HB3 LYS 8 -11.913 4.628 10.385 57 HB3 LYS 8 HB2 LYS 8 -12.539 3.965 8.881 58 HG2 LYS 8 HG3 LYS 8 -11.680 2.103 11.042 59 HG3 LYS 8 HG2 LYS 8 -13.228 2.939 11.177 60 HD2 LYS 8 HD3 LYS 8 -12.359 1.241 8.840 61 HD3 LYS 8 HD2 LYS 8 -13.451 0.724 10.125 62 HE2 LYS 8 HE3 LYS 8 -13.935 3.037 8.250 63 HE3 LYS 8 HE2 LYS 8 -14.648 1.432 8.089 64 HZ1 LYS 8 HZ1 LYS 8 -15.223 3.532 10.057 65 HZ2 LYS 8 HZ2 LYS 8 -15.432 1.917 10.513 66 HZ3 LYS 8 HZ3 LYS 8 -16.292 2.540 9.196 67 H ILE 9 H ILE 9 -11.114 2.314 7.116 68 HA ILE 9 HA ILE 9 -11.047 -0.348 8.004 69 HB ILE 9 HB ILE 9 -11.167 0.983 5.358 70 HG12 ILE 9 HG13 ILE 9 -12.681 -1.323 6.608 71 HG13 ILE 9 HG12 ILE 9 -13.187 0.364 6.631 72 HG21 ILE 9 HG21 ILE 9 -9.724 -0.483 4.449 73 HG22 ILE 9 HG22 ILE 9 -11.091 -1.592 4.540 74 HG23 ILE 9 HG23 ILE 9 -9.855 -1.612 5.798 75 HD11 ILE 9 HD11 ILE 9 -13.543 -1.644 4.595 76 HD12 ILE 9 HD12 ILE 9 -12.774 -0.194 3.950 77 HD13 ILE 9 HD13 ILE 9 -14.323 -0.073 4.783 78 H PHE 10 H PHE 10 -8.641 1.587 6.261 79 HA PHE 10 HA PHE 10 -6.697 -0.450 6.018 80 HB2 PHE 10 HB3 PHE 10 -6.320 1.314 4.569 81 HB3 PHE 10 HB2 PHE 10 -6.685 2.533 5.786 82 HD1 PHE 10 HD1 PHE 10 -4.119 0.764 4.076 83 HD2 PHE 10 HD2 PHE 10 -5.003 2.830 7.691 84 HE1 PHE 10 HE1 PHE 10 -1.712 1.071 4.486 85 HE2 PHE 10 HE2 PHE 10 -2.598 3.141 8.107 86 HZ PHE 10 HZ PHE 10 -0.949 2.261 6.502 87 H VAL 11 H VAL 11 -7.397 2.007 8.342 88 HA VAL 11 HA VAL 11 -4.925 2.000 9.539 89 HB VAL 11 HB VAL 11 -7.622 2.510 10.784 90 HG11 VAL 11 HG11 VAL 11 -6.607 3.357 12.705 91 HG12 VAL 11 HG12 VAL 11 -5.015 3.422 11.951 92 HG13 VAL 11 HG13 VAL 11 -5.719 1.866 12.387 93 HG21 VAL 11 HG21 VAL 11 -7.511 4.432 9.680 94 HG22 VAL 11 HG22 VAL 11 -5.933 3.994 9.022 95 HG23 VAL 11 HG23 VAL 11 -6.040 4.834 10.569 96 H GLN 12 H GLN 12 -7.757 0.021 10.540 97 HA GLN 12 HA GLN 12 -6.086 -1.421 12.513 98 HB2 GLN 12 HB3 GLN 12 -8.228 -2.803 12.817 99 HB3 GLN 12 HB2 GLN 12 -8.315 -1.103 13.257 100 HG2 GLN 12 HG3 GLN 12 -10.122 -0.982 11.984 101 HG3 GLN 12 HG2 GLN 12 -9.050 -1.137 10.593 102 HE21 GLN 12 HE21 GLN 12 -8.309 -3.870 11.255 103 HE22 GLN 12 HE22 GLN 12 -9.665 -4.855 10.839 104 H LYS 13 H LYS 13 -7.818 -1.954 9.696 105 HA LYS 13 HA LYS 13 -7.679 -4.202 8.524 106 HB2 LYS 13 HB3 LYS 13 -8.016 -2.486 7.106 107 HB3 LYS 13 HB2 LYS 13 -6.697 -1.564 7.592 108 HG2 LYS 13 HG3 LYS 13 -6.199 -2.256 5.434 109 HG3 LYS 13 HG2 LYS 13 -5.348 -3.418 6.456 110 HD2 LYS 13 HD3 LYS 13 -6.482 -5.104 5.555 111 HD3 LYS 13 HD2 LYS 13 -8.018 -4.337 5.966 112 HE2 LYS 13 HE3 LYS 13 -7.159 -2.860 3.818 113 HE3 LYS 13 HE2 LYS 13 -6.815 -4.688 3.429 114 HZ1 LYS 13 HZ1 LYS 13 -9.381 -3.972 4.316 115 HZ2 LYS 13 HZ2 LYS 13 -8.782 -5.302 3.461 116 HZ3 LYS 13 HZ3 LYS 13 -8.942 -3.807 2.690 117 H CYS 14 H CYS 14 -4.641 -2.240 8.927 118 HA CYS 14 HA CYS 14 -2.985 -4.370 9.577 119 HB2 CYS 14 HB3 CYS 14 -1.603 -4.800 7.672 120 HB3 CYS 14 HB2 CYS 14 -3.274 -5.466 7.518 121 H ALA 15 H ALA 15 -3.585 -1.287 9.492 122 HA ALA 15 HA ALA 15 -1.368 0.099 8.592 123 HB1 ALA 15 HB1 ALA 15 -2.774 0.833 11.139 124 HB2 ALA 15 HB2 ALA 15 -3.552 0.998 9.566 125 HB3 ALA 15 HB3 ALA 15 -2.075 1.894 9.916 126 H GLN 16 H GLN 16 -1.518 -2.099 11.549 127 HA GLN 16 HA GLN 16 0.703 -1.135 12.898 128 HB2 GLN 16 HB3 GLN 16 0.396 -4.072 12.902 129 HB3 GLN 16 HB2 GLN 16 0.460 -2.943 14.250 130 HG2 GLN 16 HG3 GLN 16 -1.895 -2.255 13.572 131 HG3 GLN 16 HG2 GLN 16 -1.896 -3.698 12.558 132 HE21 GLN 16 HE21 GLN 16 -0.749 -2.956 15.837 133 HE22 GLN 16 HE22 GLN 16 -1.583 -4.258 16.607 134 H CYS 17 H CYS 17 0.502 -3.330 10.164 135 HA CYS 17 HA CYS 17 3.295 -3.995 10.188 136 HB2 CYS 17 HB3 CYS 17 1.472 -4.302 7.815 137 HB3 CYS 17 HB2 CYS 17 2.858 -5.288 8.270 138 H HIS 18 H HIS 18 1.391 -1.417 8.975 139 HA HIS 18 HA HIS 18 3.618 -0.509 7.281 140 HB2 HIS 18 HB3 HIS 18 0.720 0.345 7.177 141 HB3 HIS 18 HB2 HIS 18 1.995 0.857 6.076 142 HD1 HIS 18 HD1 HIS 18 1.727 -0.286 3.911 143 HD2 HIS 18 HD2 HIS 18 0.740 -2.770 7.089 144 HE1 HIS 18 HE1 HIS 18 1.119 -2.494 2.873 145 H THR 19 H THR 19 3.096 -0.218 10.263 146 HA THR 19 HA THR 19 3.262 1.358 11.897 147 HB THR 19 HB THR 19 4.745 2.876 9.744 148 HG1 THR 19 HG1 THR 19 6.555 1.778 10.509 149 HG21 THR 19 HG21 THR 19 5.170 2.953 12.716 150 HG22 THR 19 HG22 THR 19 4.264 4.167 11.811 151 HG23 THR 19 HG23 THR 19 5.980 3.923 11.485 152 H VAL 20 H VAL 20 2.640 3.493 12.627 153 HA VAL 20 HA VAL 20 0.246 4.393 11.276 154 HB VAL 20 HB VAL 20 1.344 5.683 13.747 155 HG11 VAL 20 HG11 VAL 20 -0.782 6.371 12.409 156 HG12 VAL 20 HG12 VAL 20 -0.844 6.296 14.170 157 HG13 VAL 20 HG13 VAL 20 -1.509 4.976 13.208 158 HG21 VAL 20 HG21 VAL 20 0.314 3.978 15.125 159 HG22 VAL 20 HG22 VAL 20 1.524 3.244 14.071 160 HG23 VAL 20 HG23 VAL 20 -0.191 3.087 13.689 161 H GLU 21 H GLU 21 0.796 7.101 12.645 162 HA GLU 21 HA GLU 21 1.533 8.491 10.301 163 HB2 GLU 21 HB3 GLU 21 1.890 10.056 12.716 164 HB3 GLU 21 HB2 GLU 21 0.737 10.265 11.406 165 HG2 GLU 21 HG3 GLU 21 -0.728 8.598 12.433 166 HG3 GLU 21 HG2 GLU 21 0.428 8.402 13.751 167 H LYS 22 H LYS 22 3.388 9.616 9.764 168 HA LYS 22 HA LYS 22 5.832 8.453 10.297 169 HB2 LYS 22 HB3 LYS 22 5.166 10.134 8.458 170 HB3 LYS 22 HB2 LYS 22 5.584 11.375 9.630 171 HG2 LYS 22 HG3 LYS 22 7.395 9.284 8.452 172 HG3 LYS 22 HG2 LYS 22 7.467 11.032 8.221 173 HD2 LYS 22 HD3 LYS 22 7.956 9.544 10.799 174 HD3 LYS 22 HD2 LYS 22 9.179 10.319 9.789 175 HE2 LYS 22 HE3 LYS 22 8.251 12.488 10.234 176 HE3 LYS 22 HE2 LYS 22 6.880 11.776 11.082 177 HZ1 LYS 22 HZ1 LYS 22 9.367 12.519 12.127 178 HZ2 LYS 22 HZ2 LYS 22 9.226 10.840 12.278 179 HZ3 LYS 22 HZ3 LYS 22 8.046 11.850 12.944 180 H GLY 23 H GLY 23 7.049 8.382 12.037 181 HA2 GLY 23 HA3 GLY 23 8.197 10.215 13.546 182 HA3 GLY 23 HA2 GLY 23 6.569 10.275 14.211 183 H GLY 24 H GLY 24 6.099 7.419 13.806 184 HA2 GLY 24 HA3 GLY 24 7.256 6.503 16.280 185 HA3 GLY 24 HA2 GLY 24 6.152 5.606 15.247 186 H LYS 25 H LYS 25 7.080 3.724 14.767 187 HA LYS 25 HA LYS 25 9.939 3.714 14.063 188 HB2 LYS 25 HB3 LYS 25 8.760 1.091 14.490 189 HB3 LYS 25 HB2 LYS 25 10.183 1.814 15.226 190 HG2 LYS 25 HG3 LYS 25 9.043 2.548 17.048 191 HG3 LYS 25 HG2 LYS 25 7.538 2.770 16.155 192 HD2 LYS 25 HD3 LYS 25 8.732 0.140 17.030 193 HD3 LYS 25 HD2 LYS 25 7.320 0.934 17.731 194 HE2 LYS 25 HE3 LYS 25 6.002 -0.021 16.221 195 HE3 LYS 25 HE2 LYS 25 6.941 0.701 14.913 196 HZ1 LYS 25 HZ1 LYS 25 6.956 -2.000 15.904 197 HZ2 LYS 25 HZ2 LYS 25 8.505 -1.351 15.714 198 HZ3 LYS 25 HZ3 LYS 25 7.443 -1.398 14.401 199 H HIS 26 H HIS 26 10.621 2.323 12.314 200 HA HIS 26 HA HIS 26 9.047 2.620 10.000 201 HB2 HIS 26 HB3 HIS 26 10.942 0.520 9.604 202 HB3 HIS 26 HB2 HIS 26 11.006 2.180 9.021 203 HD1 HIS 26 HD1 HIS 26 11.696 0.465 12.360 204 HD2 HIS 26 HD2 HIS 26 13.266 3.381 9.850 205 HE1 HIS 26 HE1 HIS 26 13.790 1.271 13.494 206 HE2 HIS 26 HE2 HIS 26 14.672 3.101 12.002 207 H LYS 27 H LYS 27 7.776 1.226 8.857 208 HA LYS 27 HA LYS 27 6.686 -1.010 10.348 209 HB2 LYS 27 HB3 LYS 27 4.842 -0.871 8.976 210 HB3 LYS 27 HB2 LYS 27 5.415 0.791 8.918 211 HG2 LYS 27 HG3 LYS 27 6.772 -0.464 6.855 212 HG3 LYS 27 HG2 LYS 27 5.147 -1.151 6.795 213 HD2 LYS 27 HD3 LYS 27 5.617 1.005 5.466 214 HD3 LYS 27 HD2 LYS 27 4.149 0.924 6.444 215 HE2 LYS 27 HE3 LYS 27 4.809 2.625 7.723 216 HE3 LYS 27 HE2 LYS 27 6.400 1.908 7.973 217 HZ1 LYS 27 HZ1 LYS 27 7.207 2.901 6.007 218 HZ2 LYS 27 HZ2 LYS 27 6.373 4.120 6.832 219 HZ3 LYS 27 HZ3 LYS 27 5.659 3.361 5.499 220 H THR 28 H THR 28 6.077 -2.994 8.939 221 HA THR 28 HA THR 28 8.503 -4.225 8.128 222 HB THR 28 HB THR 28 5.883 -5.398 7.331 223 HG1 THR 28 HG1 THR 28 6.682 -5.464 10.029 224 HG21 THR 28 HG21 THR 28 6.812 -7.431 7.897 225 HG22 THR 28 HG22 THR 28 7.993 -6.707 8.988 226 HG23 THR 28 HG23 THR 28 8.189 -6.545 7.243 227 H GLY 29 H GLY 29 5.760 -2.853 6.380 228 HA2 GLY 29 HA3 GLY 29 7.387 -2.965 3.927 229 HA3 GLY 29 HA2 GLY 29 5.717 -3.509 3.895 230 HA PRO 30 HA PRO 30 6.611 1.301 3.203 231 HB2 PRO 30 HB3 PRO 30 5.557 0.345 0.568 232 HB3 PRO 30 HB2 PRO 30 6.681 1.665 0.915 233 HG2 PRO 30 HG3 PRO 30 7.573 -0.681 0.017 234 HG3 PRO 30 HG2 PRO 30 8.474 0.234 1.239 235 HD2 PRO 30 HD3 PRO 30 6.867 -2.243 1.533 236 HD3 PRO 30 HD2 PRO 30 8.258 -1.677 2.480 237 H ASN 31 H ASN 31 4.961 2.336 4.116 238 HA ASN 31 HA ASN 31 2.396 1.358 4.476 239 HB2 ASN 31 HB3 ASN 31 3.695 3.452 5.483 240 HB3 ASN 31 HB2 ASN 31 2.753 4.310 4.269 241 HD21 ASN 31 HD21 ASN 31 2.066 5.212 6.485 242 HD22 ASN 31 HD22 ASN 31 0.652 4.493 7.169 243 H LEU 32 H LEU 32 3.317 3.972 2.224 244 HA LEU 32 HA LEU 32 1.840 2.923 0.162 245 HB2 LEU 32 HB3 LEU 32 -0.057 4.432 -0.101 246 HB3 LEU 32 HB2 LEU 32 -0.093 3.472 1.368 247 HG LEU 32 HG LEU 32 -1.143 5.601 1.931 248 HD11 LEU 32 HD11 LEU 32 1.521 5.229 2.872 249 HD12 LEU 32 HD12 LEU 32 0.094 4.548 3.651 250 HD13 LEU 32 HD13 LEU 32 0.361 6.290 3.672 251 HD21 LEU 32 HD21 LEU 32 -0.370 7.563 1.169 252 HD22 LEU 32 HD22 LEU 32 0.300 6.487 -0.057 253 HD23 LEU 32 HD23 LEU 32 1.291 7.005 1.313 254 H HIS 33 H HIS 33 3.341 5.629 1.702 255 HA HIS 33 HA HIS 33 3.445 7.587 -0.219 256 HB2 HIS 33 HB3 HIS 33 4.738 7.083 2.206 257 HB3 HIS 33 HB2 HIS 33 6.042 7.273 1.040 258 HD1 HIS 33 HD1 HIS 33 6.687 9.519 2.222 259 HD2 HIS 33 HD2 HIS 33 2.916 9.485 0.475 260 HE1 HIS 33 HE1 HIS 33 5.968 11.926 2.127 261 HE2 HIS 33 HE2 HIS 33 3.649 11.873 1.146 262 H GLY 34 H GLY 34 4.202 7.697 -2.225 263 HA2 GLY 34 HA3 GLY 34 5.522 7.322 -4.075 264 HA3 GLY 34 HA2 GLY 34 6.675 6.518 -3.021 265 H LEU 35 H LEU 35 3.481 5.325 -2.855 266 HA LEU 35 HA LEU 35 4.194 2.735 -3.651 267 HB2 LEU 35 HB3 LEU 35 2.259 3.323 -2.203 268 HB3 LEU 35 HB2 LEU 35 1.431 3.949 -3.617 269 HG LEU 35 HG LEU 35 1.358 1.737 -4.612 270 HD11 LEU 35 HD11 LEU 35 2.505 -0.070 -3.891 271 HD12 LEU 35 HD12 LEU 35 2.366 0.383 -2.191 272 HD13 LEU 35 HD13 LEU 35 3.573 1.161 -3.215 273 HD21 LEU 35 HD21 LEU 35 0.351 2.059 -1.813 274 HD22 LEU 35 HD22 LEU 35 0.063 0.566 -2.704 275 HD23 LEU 35 HD23 LEU 35 -0.541 2.097 -3.333 276 H PHE 36 H PHE 36 2.416 5.271 -5.393 277 HA PHE 36 HA PHE 36 2.788 3.731 -7.872 278 HB2 PHE 36 HB3 PHE 36 0.923 6.048 -7.786 279 HB3 PHE 36 HB2 PHE 36 0.791 4.531 -8.670 280 HD1 PHE 36 HD1 PHE 36 -0.270 2.620 -7.701 281 HD2 PHE 36 HD2 PHE 36 0.271 6.179 -5.432 282 HE1 PHE 36 HE1 PHE 36 -1.825 1.766 -5.997 283 HE2 PHE 36 HE2 PHE 36 -1.284 5.331 -3.725 284 HZ PHE 36 HZ PHE 36 -2.335 3.121 -4.007 285 H GLY 37 H GLY 37 4.522 5.799 -6.341 286 HA2 GLY 37 HA3 GLY 37 5.073 7.477 -8.711 287 HA3 GLY 37 HA2 GLY 37 5.188 8.102 -7.073 288 H ARG 38 H ARG 38 6.439 5.840 -5.896 289 HA ARG 38 HA ARG 38 9.147 6.284 -6.857 290 HB2 ARG 38 HB3 ARG 38 8.057 4.886 -4.412 291 HB3 ARG 38 HB2 ARG 38 9.771 4.983 -4.796 292 HG2 ARG 38 HG3 ARG 38 9.455 7.509 -4.831 293 HG3 ARG 38 HG2 ARG 38 7.897 7.205 -4.061 294 HD2 ARG 38 HD3 ARG 38 8.869 6.929 -2.081 295 HD3 ARG 38 HD2 ARG 38 9.956 5.707 -2.737 296 HE ARG 38 HE ARG 38 11.569 7.285 -2.449 297 HH11 ARG 38 HH11 ARG 38 8.655 8.877 -3.494 298 HH12 ARG 38 HH12 ARG 38 9.390 10.443 -3.590 299 HH21 ARG 38 HH21 ARG 38 12.547 9.341 -2.569 300 HH22 ARG 38 HH22 ARG 38 11.603 10.707 -3.063 301 H LYS 39 H LYS 39 10.649 4.327 -6.848 302 HA LYS 39 HA LYS 39 9.897 2.571 -8.850 303 HB2 LYS 39 HB3 LYS 39 12.241 3.016 -8.230 304 HB3 LYS 39 HB2 LYS 39 12.012 2.111 -6.741 305 HG2 LYS 39 HG3 LYS 39 12.996 1.087 -9.064 306 HG3 LYS 39 HG2 LYS 39 12.282 0.136 -7.761 307 HD2 LYS 39 HD3 LYS 39 11.321 -0.472 -9.921 308 HD3 LYS 39 HD2 LYS 39 10.102 0.257 -8.874 309 HE2 LYS 39 HE3 LYS 39 10.702 2.452 -10.050 310 HE3 LYS 39 HE2 LYS 39 11.483 1.436 -11.258 311 HZ1 LYS 39 HZ1 LYS 39 9.510 0.662 -12.014 312 HZ2 LYS 39 HZ2 LYS 39 8.958 2.152 -11.434 313 HZ3 LYS 39 HZ3 LYS 39 8.747 0.753 -10.506 314 H THR 40 H THR 40 10.991 0.915 -5.994 315 HA THR 40 HA THR 40 8.420 0.004 -5.220 316 HB THR 40 HB THR 40 8.919 -2.264 -4.969 317 HG1 THR 40 HG1 THR 40 10.399 -3.459 -5.873 318 HG21 THR 40 HG21 THR 40 8.597 -2.022 -7.720 319 HG22 THR 40 HG22 THR 40 8.883 -2.859 -6.509 320 HG23 THR 40 HG23 THR 40 7.492 -2.877 -6.206 321 H GLY 41 H GLY 41 8.319 0.409 -3.426 322 HA2 GLY 41 HA3 GLY 41 8.801 0.423 -1.181 323 HA3 GLY 41 HA2 GLY 41 9.455 -1.182 -1.461 324 H GLN 42 H GLN 42 10.692 1.841 -2.808 325 HA GLN 42 HA GLN 42 13.241 1.290 -1.465 326 HB2 GLN 42 HB3 GLN 42 13.752 3.342 -3.210 327 HB3 GLN 42 HB2 GLN 42 13.995 1.634 -3.551 328 HG2 GLN 42 HG3 GLN 42 12.773 2.827 -5.326 329 HG3 GLN 42 HG2 GLN 42 11.864 1.484 -4.634 330 HE21 GLN 42 HE21 GLN 42 9.802 2.002 -4.651 331 HE22 GLN 42 HE22 GLN 42 9.124 3.506 -4.140 332 H ALA 43 H ALA 43 11.307 2.334 0.187 333 HA ALA 43 HA ALA 43 11.116 5.089 0.413 334 HB1 ALA 43 HB1 ALA 43 11.208 4.227 3.033 335 HB2 ALA 43 HB2 ALA 43 10.675 2.800 2.143 336 HB3 ALA 43 HB3 ALA 43 9.773 4.311 2.011 337 HA PRO 44 HA PRO 44 14.960 6.547 2.011 338 HB2 PRO 44 HB3 PRO 44 14.332 8.203 4.021 339 HB3 PRO 44 HB2 PRO 44 13.836 8.541 2.358 340 HG2 PRO 44 HG3 PRO 44 12.242 7.380 4.609 341 HG3 PRO 44 HG2 PRO 44 11.766 8.599 3.413 342 HD2 PRO 44 HD3 PRO 44 11.111 5.936 3.241 343 HD3 PRO 44 HD2 PRO 44 11.237 7.020 1.841 344 H GLY 45 H GLY 45 14.044 7.083 5.228 345 HA2 GLY 45 HA3 GLY 45 16.058 5.341 6.239 346 HA3 GLY 45 HA2 GLY 45 14.921 6.276 7.198 347 H PHE 46 H PHE 46 13.234 4.463 4.982 348 HA PHE 46 HA PHE 46 12.300 2.660 7.031 349 HB2 PHE 46 HB3 PHE 46 10.701 3.692 5.489 350 HB3 PHE 46 HB2 PHE 46 11.504 2.920 4.126 351 HD1 PHE 46 HD1 PHE 46 9.678 2.184 7.270 352 HD2 PHE 46 HD2 PHE 46 10.862 0.797 3.427 353 HE1 PHE 46 HE1 PHE 46 8.221 0.219 7.536 354 HE2 PHE 46 HE2 PHE 46 9.407 -1.169 3.685 355 HZ PHE 46 HZ PHE 46 8.084 -1.462 5.741 356 H THR 47 H THR 47 12.727 0.527 7.231 357 HA THR 47 HA THR 47 14.918 -0.550 5.703 358 HB THR 47 HB THR 47 13.964 -0.942 8.268 359 HG1 THR 47 HG1 THR 47 15.655 -2.469 8.363 360 HG21 THR 47 HG21 THR 47 13.624 -3.414 8.370 361 HG22 THR 47 HG22 THR 47 13.357 -3.384 6.628 362 HG23 THR 47 HG23 THR 47 12.272 -2.499 7.702 363 H TYR 48 H TYR 48 14.396 -1.065 3.665 364 HA TYR 48 HA TYR 48 11.889 -2.195 2.908 365 HB2 TYR 48 HB3 TYR 48 13.830 -2.679 0.891 366 HB3 TYR 48 HB2 TYR 48 12.565 -1.458 0.911 367 HD1 TYR 48 HD1 TYR 48 15.993 -2.062 2.271 368 HD2 TYR 48 HD2 TYR 48 13.186 0.771 0.787 369 HE1 TYR 48 HE1 TYR 48 17.710 -0.307 2.388 370 HE2 TYR 48 HE2 TYR 48 14.897 2.533 0.899 371 HH TYR 48 HH TYR 48 17.992 1.997 2.414 372 H THR 49 H THR 49 11.614 -4.239 1.823 373 HA THR 49 HA THR 49 12.869 -6.400 3.264 374 HB THR 49 HB THR 49 11.269 -7.826 2.164 375 HG1 THR 49 HG1 THR 49 9.841 -6.754 0.566 376 HG21 THR 49 HG21 THR 49 9.370 -5.659 2.321 377 HG22 THR 49 HG22 THR 49 10.465 -5.677 3.703 378 HG23 THR 49 HG23 THR 49 9.517 -7.111 3.311 379 H ASP 50 H ASP 50 13.539 -8.387 1.872 380 HA ASP 50 HA ASP 50 15.819 -7.727 0.443 381 HB2 ASP 50 HB3 ASP 50 15.842 -9.937 1.106 382 HB3 ASP 50 HB2 ASP 50 14.152 -10.192 0.683 383 H ALA 51 H ALA 51 12.516 -8.194 -0.659 384 HA ALA 51 HA ALA 51 13.104 -8.135 -3.444 385 HB1 ALA 51 HB1 ALA 51 10.980 -8.761 -3.575 386 HB2 ALA 51 HB2 ALA 51 10.455 -7.206 -2.931 387 HB3 ALA 51 HB3 ALA 51 10.822 -8.537 -1.833 388 H ASN 52 H ASN 52 11.999 -5.678 -1.123 389 HA ASN 52 HA ASN 52 11.705 -3.570 -2.949 390 HB2 ASN 52 HB3 ASN 52 12.408 -3.498 -0.007 391 HB3 ASN 52 HB2 ASN 52 11.930 -2.091 -0.955 392 HD21 ASN 52 HD21 ASN 52 10.143 -4.163 -2.432 393 HD22 ASN 52 HD22 ASN 52 8.732 -4.220 -1.435 394 H LYS 53 H LYS 53 14.486 -4.584 -1.003 395 HA LYS 53 HA LYS 53 16.228 -2.512 -1.709 396 HB2 LYS 53 HB3 LYS 53 18.039 -4.213 -1.180 397 HB3 LYS 53 HB2 LYS 53 16.867 -3.909 0.096 398 HG2 LYS 53 HG3 LYS 53 15.733 -5.954 -0.355 399 HG3 LYS 53 HG2 LYS 53 16.685 -6.222 -1.817 400 HD2 LYS 53 HD3 LYS 53 17.817 -7.576 -0.363 401 HD3 LYS 53 HD2 LYS 53 18.697 -6.067 -0.112 402 HE2 LYS 53 HE3 LYS 53 18.173 -6.136 2.042 403 HE3 LYS 53 HE2 LYS 53 16.465 -6.033 1.620 404 HZ1 LYS 53 HZ1 LYS 53 17.963 -8.267 2.583 405 HZ2 LYS 53 HZ2 LYS 53 17.123 -8.645 1.164 406 HZ3 LYS 53 HZ3 LYS 53 16.287 -8.046 2.510 407 H ASN 54 H ASN 54 15.256 -5.414 -3.373 408 HA ASN 54 HA ASN 54 17.307 -5.294 -5.376 409 HB2 ASN 54 HB3 ASN 54 14.671 -6.783 -5.373 410 HB3 ASN 54 HB2 ASN 54 15.987 -7.036 -6.513 411 HD21 ASN 54 HD21 ASN 54 17.328 -6.300 -3.604 412 HD22 ASN 54 HD22 ASN 54 17.597 -7.895 -2.998 413 H LYS 55 H LYS 55 14.380 -3.675 -4.802 414 HA LYS 55 HA LYS 55 13.358 -1.976 -5.930 415 HB2 LYS 55 HB3 LYS 55 15.663 -2.434 -7.813 416 HB3 LYS 55 HB2 LYS 55 14.397 -1.268 -8.165 417 HG2 LYS 55 HG3 LYS 55 15.206 0.227 -6.718 418 HG3 LYS 55 HG2 LYS 55 15.534 -0.997 -5.488 419 HD2 LYS 55 HD3 LYS 55 17.252 -0.177 -7.815 420 HD3 LYS 55 HD2 LYS 55 17.641 -0.134 -6.094 421 HE2 LYS 55 HE3 LYS 55 17.249 -2.716 -6.251 422 HE3 LYS 55 HE2 LYS 55 17.553 -2.456 -7.968 423 HZ1 LYS 55 HZ1 LYS 55 19.627 -2.943 -7.066 424 HZ2 LYS 55 HZ2 LYS 55 19.376 -1.994 -5.690 425 HZ3 LYS 55 HZ3 LYS 55 19.640 -1.256 -7.189 426 H GLY 56 H GLY 56 11.897 -4.025 -5.993 427 HA2 GLY 56 HA3 GLY 56 11.482 -5.505 -8.300 428 HA3 GLY 56 HA2 GLY 56 10.225 -5.093 -7.143 429 H ILE 57 H ILE 57 8.651 -3.715 -7.755 430 HA ILE 57 HA ILE 57 9.151 -1.888 -9.943 431 HB ILE 57 HB ILE 57 8.006 -4.293 -10.559 432 HG12 ILE 57 HG13 ILE 57 8.889 -3.157 -12.311 433 HG13 ILE 57 HG12 ILE 57 7.190 -2.805 -12.605 434 HG21 ILE 57 HG21 ILE 57 5.918 -3.942 -9.557 435 HG22 ILE 57 HG22 ILE 57 5.673 -3.564 -11.260 436 HG23 ILE 57 HG23 ILE 57 5.858 -2.262 -10.085 437 HD11 ILE 57 HD11 ILE 57 7.415 -0.631 -12.049 438 HD12 ILE 57 HD12 ILE 57 9.077 -0.934 -12.557 439 HD13 ILE 57 HD13 ILE 57 8.658 -0.954 -10.841 440 H THR 58 H THR 58 7.166 -0.502 -10.389 441 HA THR 58 HA THR 58 6.278 0.555 -7.871 442 HB THR 58 HB THR 58 6.736 1.582 -10.442 443 HG1 THR 58 HG1 THR 58 6.249 3.554 -9.376 444 HG21 THR 58 HG21 THR 58 4.380 1.061 -10.992 445 HG22 THR 58 HG22 THR 58 4.750 2.785 -11.015 446 HG23 THR 58 HG23 THR 58 3.879 2.089 -9.648 447 H TRP 59 H TRP 59 4.606 -0.219 -6.860 448 HA TRP 59 HA TRP 59 2.658 -1.919 -8.008 449 HB2 TRP 59 HB3 TRP 59 1.975 -0.524 -5.489 450 HB3 TRP 59 HB2 TRP 59 1.964 -2.246 -5.866 451 HD1 TRP 59 HD1 TRP 59 4.412 0.549 -4.830 452 HE1 TRP 59 HE1 TRP 59 6.454 -0.543 -3.708 453 HE3 TRP 59 HE3 TRP 59 3.242 -4.366 -5.616 454 HZ2 TRP 59 HZ2 TRP 59 7.438 -3.141 -3.216 455 HZ3 TRP 59 HZ3 TRP 59 4.788 -6.094 -4.787 456 HH2 TRP 59 HH2 TRP 59 6.842 -5.492 -3.613 457 H LYS 60 H LYS 60 1.253 -1.234 -9.468 458 HA LYS 60 HA LYS 60 0.033 1.418 -9.171 459 HB2 LYS 60 HB3 LYS 60 0.374 1.568 -11.373 460 HB3 LYS 60 HB2 LYS 60 0.973 -0.084 -11.418 461 HG2 LYS 60 HG3 LYS 60 -0.752 -0.395 -12.813 462 HG3 LYS 60 HG2 LYS 60 -1.683 -0.542 -11.323 463 HD2 LYS 60 HD3 LYS 60 -2.788 1.372 -11.695 464 HD3 LYS 60 HD2 LYS 60 -1.328 2.219 -12.212 465 HE2 LYS 60 HE3 LYS 60 -1.979 0.303 -14.201 466 HE3 LYS 60 HE2 LYS 60 -3.452 1.186 -13.800 467 HZ1 LYS 60 HZ1 LYS 60 -1.515 2.032 -15.499 468 HZ2 LYS 60 HZ2 LYS 60 -1.159 2.887 -14.086 469 HZ3 LYS 60 HZ3 LYS 60 -2.692 3.017 -14.787 470 H GLU 61 H GLU 61 -2.316 1.476 -10.026 471 HA GLU 61 HA GLU 61 -3.912 -0.033 -8.283 472 HB2 GLU 61 HB3 GLU 61 -4.281 2.162 -9.934 473 HB3 GLU 61 HB2 GLU 61 -5.342 0.943 -10.629 474 HG2 GLU 61 HG3 GLU 61 -5.646 0.924 -7.797 475 HG3 GLU 61 HG2 GLU 61 -5.791 2.581 -8.381 476 H GLU 62 H GLU 62 -3.677 -0.254 -11.839 477 HA GLU 62 HA GLU 62 -5.270 -2.558 -12.082 478 HB2 GLU 62 HB3 GLU 62 -4.769 -2.496 -14.326 479 HB3 GLU 62 HB2 GLU 62 -4.404 -0.840 -13.868 480 HG2 GLU 62 HG3 GLU 62 -2.022 -1.472 -13.652 481 HG3 GLU 62 HG2 GLU 62 -2.433 -3.081 -14.245 482 H THR 63 H THR 63 -1.755 -2.169 -11.832 483 HA THR 63 HA THR 63 -1.091 -4.881 -12.208 484 HB THR 63 HB THR 63 0.290 -2.474 -11.700 485 HG1 THR 63 HG1 THR 63 1.612 -3.525 -12.922 486 HG21 THR 63 HG21 THR 63 1.779 -2.818 -9.991 487 HG22 THR 63 HG22 THR 63 1.476 -4.556 -9.933 488 HG23 THR 63 HG23 THR 63 0.282 -3.431 -9.290 489 H LEU 64 H LEU 64 -2.215 -3.089 -9.460 490 HA LEU 64 HA LEU 64 -1.479 -4.992 -7.471 491 HB2 LEU 64 HB3 LEU 64 -2.936 -2.469 -7.607 492 HB3 LEU 64 HB2 LEU 64 -3.644 -3.593 -6.463 493 HG LEU 64 HG LEU 64 -0.795 -2.596 -6.449 494 HD11 LEU 64 HD11 LEU 64 -1.881 -0.842 -5.515 495 HD12 LEU 64 HD12 LEU 64 -1.801 -1.874 -4.086 496 HD13 LEU 64 HD13 LEU 64 -3.277 -1.812 -5.048 497 HD21 LEU 64 HD21 LEU 64 -0.510 -3.851 -4.414 498 HD22 LEU 64 HD22 LEU 64 -1.012 -4.945 -5.703 499 HD23 LEU 64 HD23 LEU 64 -2.177 -4.420 -4.487 500 H MET 65 H MET 65 -4.285 -4.466 -9.508 501 HA MET 65 HA MET 65 -6.099 -6.164 -8.209 502 HB2 MET 65 HB3 MET 65 -5.821 -5.346 -11.099 503 HB3 MET 65 HB2 MET 65 -7.137 -6.364 -10.532 504 HG2 MET 65 HG3 MET 65 -6.537 -3.525 -9.760 505 HG3 MET 65 HG2 MET 65 -7.946 -4.141 -10.623 506 HE1 MET 65 HE1 MET 65 -6.462 -3.060 -7.412 507 HE2 MET 65 HE2 MET 65 -6.017 -4.744 -7.134 508 HE3 MET 65 HE3 MET 65 -7.253 -3.981 -6.133 509 H GLU 66 H GLU 66 -3.685 -6.809 -10.711 510 HA GLU 66 HA GLU 66 -4.343 -9.605 -10.877 511 HB2 GLU 66 HB3 GLU 66 -2.109 -9.642 -12.176 512 HB3 GLU 66 HB2 GLU 66 -3.465 -8.767 -12.873 513 HG2 GLU 66 HG3 GLU 66 -2.553 -6.667 -12.118 514 HG3 GLU 66 HG2 GLU 66 -1.237 -7.504 -11.293 515 H TYR 67 H TYR 67 -1.938 -7.620 -9.264 516 HA TYR 67 HA TYR 67 -0.239 -9.663 -8.357 517 HB2 TYR 67 HB3 TYR 67 0.759 -7.636 -8.031 518 HB3 TYR 67 HB2 TYR 67 -0.756 -6.834 -7.638 519 HD1 TYR 67 HD1 TYR 67 2.140 -8.587 -6.319 520 HD2 TYR 67 HD2 TYR 67 -1.667 -6.953 -5.348 521 HE1 TYR 67 HE1 TYR 67 2.721 -8.666 -3.930 522 HE2 TYR 67 HE2 TYR 67 -1.094 -7.026 -2.956 523 HH TYR 67 HH TYR 67 0.727 -7.178 -1.502 524 H LEU 68 H LEU 68 -3.369 -8.654 -7.333 525 HA LEU 68 HA LEU 68 -3.344 -9.528 -4.666 526 HB2 LEU 68 HB3 LEU 68 -5.515 -9.164 -6.705 527 HB3 LEU 68 HB2 LEU 68 -5.877 -9.840 -5.128 528 HG LEU 68 HG LEU 68 -4.584 -7.146 -5.547 529 HD11 LEU 68 HD11 LEU 68 -6.704 -6.146 -5.150 530 HD12 LEU 68 HD12 LEU 68 -7.448 -7.712 -4.814 531 HD13 LEU 68 HD13 LEU 68 -6.913 -7.322 -6.449 532 HD21 LEU 68 HD21 LEU 68 -4.069 -8.131 -3.397 533 HD22 LEU 68 HD22 LEU 68 -5.777 -8.475 -3.118 534 HD23 LEU 68 HD23 LEU 68 -5.213 -6.805 -3.190 535 H GLU 69 H GLU 69 -3.215 -11.277 -7.577 536 HA GLU 69 HA GLU 69 -4.560 -13.640 -6.895 537 HB2 GLU 69 HB3 GLU 69 -3.174 -12.729 -9.088 538 HB3 GLU 69 HB2 GLU 69 -2.136 -14.022 -8.498 539 HG2 GLU 69 HG3 GLU 69 -3.996 -15.583 -8.602 540 HG3 GLU 69 HG2 GLU 69 -5.063 -14.291 -9.149 541 H ASN 70 H ASN 70 -1.033 -13.551 -7.203 542 HA ASN 70 HA ASN 70 -0.860 -15.109 -4.707 543 HB2 ASN 70 HB3 ASN 70 0.550 -15.406 -7.332 544 HB3 ASN 70 HB2 ASN 70 1.369 -15.905 -5.853 545 HD21 ASN 70 HD21 ASN 70 -0.968 -16.686 -8.195 546 HD22 ASN 70 HD22 ASN 70 -1.504 -18.177 -7.505 547 HA PRO 71 HA PRO 71 1.187 -11.138 -3.656 548 HB2 PRO 71 HB3 PRO 71 1.156 -12.627 -1.071 549 HB3 PRO 71 HB2 PRO 71 0.740 -10.941 -1.404 550 HG2 PRO 71 HG3 PRO 71 -1.166 -12.749 -0.976 551 HG3 PRO 71 HG2 PRO 71 -1.371 -11.482 -2.199 552 HD2 PRO 71 HD3 PRO 71 -0.754 -14.377 -2.556 553 HD3 PRO 71 HD2 PRO 71 -1.725 -13.295 -3.575 554 H LYS 72 H LYS 72 2.103 -14.456 -2.903 555 HA LYS 72 HA LYS 72 4.822 -13.769 -2.257 556 HB2 LYS 72 HB3 LYS 72 4.802 -15.795 -1.322 557 HB3 LYS 72 HB2 LYS 72 3.153 -16.010 -1.892 558 HG2 LYS 72 HG3 LYS 72 4.145 -17.851 -2.798 559 HG3 LYS 72 HG2 LYS 72 4.355 -16.703 -4.121 560 HD2 LYS 72 HD3 LYS 72 6.542 -16.445 -2.300 561 HD3 LYS 72 HD2 LYS 72 6.344 -18.147 -2.728 562 HE2 LYS 72 HE3 LYS 72 6.029 -16.681 -5.109 563 HE3 LYS 72 HE2 LYS 72 7.429 -15.996 -4.284 564 HZ1 LYS 72 HZ1 LYS 72 8.395 -18.195 -4.142 565 HZ2 LYS 72 HZ2 LYS 72 8.037 -17.828 -5.754 566 HZ3 LYS 72 HZ3 LYS 72 7.037 -18.879 -4.886 567 H LYS 73 H LYS 73 3.038 -14.565 -5.097 568 HA LYS 73 HA LYS 73 5.202 -15.504 -6.685 569 HB2 LYS 73 HB3 LYS 73 3.698 -15.581 -8.437 570 HB3 LYS 73 HB2 LYS 73 2.617 -15.688 -7.055 571 HG2 LYS 73 HG3 LYS 73 1.506 -14.076 -8.162 572 HG3 LYS 73 HG2 LYS 73 2.682 -13.023 -7.372 573 HD2 LYS 73 HD3 LYS 73 2.321 -12.734 -9.894 574 HD3 LYS 73 HD2 LYS 73 3.984 -12.832 -9.307 575 HE2 LYS 73 HE3 LYS 73 3.460 -14.193 -11.366 576 HE3 LYS 73 HE2 LYS 73 4.207 -15.072 -10.032 577 HZ1 LYS 73 HZ1 LYS 73 1.863 -15.701 -9.382 578 HZ2 LYS 73 HZ2 LYS 73 2.468 -16.422 -10.788 579 HZ3 LYS 73 HZ3 LYS 73 1.379 -15.132 -10.901 580 H TYR 74 H TYR 74 3.949 -12.344 -5.895 581 HA TYR 74 HA TYR 74 5.466 -10.998 -7.949 582 HB2 TYR 74 HB3 TYR 74 3.520 -10.222 -5.859 583 HB3 TYR 74 HB2 TYR 74 4.719 -9.001 -6.280 584 HD1 TYR 74 HD1 TYR 74 2.212 -11.287 -7.823 585 HD2 TYR 74 HD2 TYR 74 4.380 -7.640 -8.137 586 HE1 TYR 74 HE1 TYR 74 0.884 -10.676 -9.801 587 HE2 TYR 74 HE2 TYR 74 3.058 -7.018 -10.115 588 HH TYR 74 HH TYR 74 0.812 -9.258 -11.605 589 H ILE 75 H ILE 75 5.668 -11.399 -4.430 590 HA ILE 75 HA ILE 75 8.500 -10.628 -4.592 591 HB ILE 75 HB ILE 75 6.481 -9.659 -2.578 592 HG12 ILE 75 HG13 ILE 75 6.563 -8.124 -4.334 593 HG13 ILE 75 HG12 ILE 75 7.738 -7.467 -3.198 594 HG21 ILE 75 HG21 ILE 75 8.496 -8.618 -1.445 595 HG22 ILE 75 HG22 ILE 75 9.477 -9.752 -2.373 596 HG23 ILE 75 HG23 ILE 75 8.279 -10.353 -1.227 597 HD11 ILE 75 HD11 ILE 75 9.062 -7.353 -4.991 598 HD12 ILE 75 HD12 ILE 75 8.112 -8.537 -5.893 599 HD13 ILE 75 HD13 ILE 75 9.307 -9.077 -4.714 600 HA PRO 76 HA PRO 76 7.973 -14.832 -2.670 601 HB2 PRO 76 HB3 PRO 76 10.683 -15.045 -3.858 602 HB3 PRO 76 HB2 PRO 76 9.327 -16.174 -3.939 603 HG2 PRO 76 HG3 PRO 76 10.010 -14.697 -6.054 604 HG3 PRO 76 HG2 PRO 76 8.309 -15.032 -5.680 605 HD2 PRO 76 HD3 PRO 76 9.898 -12.541 -5.220 606 HD3 PRO 76 HD2 PRO 76 8.209 -12.722 -5.743 607 H GLY 77 H GLY 77 8.606 -15.273 -0.644 608 HA2 GLY 77 HA3 GLY 77 10.343 -15.509 1.010 609 HA3 GLY 77 HA2 GLY 77 11.122 -14.091 0.328 610 H THR 78 H THR 78 8.260 -12.911 0.200 611 HA THR 78 HA THR 78 8.343 -11.863 2.936 612 HB THR 78 HB THR 78 8.179 -10.562 0.520 613 HG1 THR 78 HG1 THR 78 7.193 -9.567 2.981 614 HG21 THR 78 HG21 THR 78 5.740 -11.342 0.459 615 HG22 THR 78 HG22 THR 78 6.084 -9.636 0.178 616 HG23 THR 78 HG23 THR 78 5.484 -10.168 1.749 617 H LYS 79 H LYS 79 6.817 -12.335 4.371 618 HA LYS 79 HA LYS 79 4.410 -13.735 3.426 619 HB2 LYS 79 HB3 LYS 79 6.114 -14.770 5.116 620 HB3 LYS 79 HB2 LYS 79 5.308 -13.733 6.285 621 HG2 LYS 79 HG3 LYS 79 4.518 -16.179 5.970 622 HG3 LYS 79 HG2 LYS 79 3.325 -14.892 6.153 623 HD2 LYS 79 HD3 LYS 79 2.795 -16.498 4.328 624 HD3 LYS 79 HD2 LYS 79 2.947 -14.825 3.783 625 HE2 LYS 79 HE3 LYS 79 4.056 -16.465 2.286 626 HE3 LYS 79 HE2 LYS 79 5.149 -15.241 2.927 627 HZ1 LYS 79 HZ1 LYS 79 6.049 -17.536 2.971 628 HZ2 LYS 79 HZ2 LYS 79 4.848 -17.956 4.085 629 HZ3 LYS 79 HZ3 LYS 79 6.009 -16.796 4.493 630 H MET 80 H MET 80 2.372 -13.019 4.111 631 HA MET 80 HA MET 80 2.403 -10.379 5.402 632 HB2 MET 80 HB3 MET 80 1.296 -10.757 3.117 633 HB3 MET 80 HB2 MET 80 0.044 -11.621 4.001 634 HG2 MET 80 HG3 MET 80 -0.885 -9.550 3.916 635 HG3 MET 80 HG2 MET 80 -0.003 -9.423 5.435 636 HE1 MET 80 HE1 MET 80 2.079 -9.527 2.150 637 HE2 MET 80 HE2 MET 80 1.890 -7.887 1.528 638 HE3 MET 80 HE3 MET 80 0.508 -8.981 1.564 639 H ILE 81 H ILE 81 2.087 -10.456 7.121 640 HA ILE 81 HA ILE 81 0.291 -12.511 8.620 641 HB ILE 81 HB ILE 81 2.275 -10.601 9.962 642 HG12 ILE 81 HG13 ILE 81 3.179 -13.060 10.492 643 HG13 ILE 81 HG12 ILE 81 2.256 -13.437 9.037 644 HG21 ILE 81 HG21 ILE 81 1.249 -12.854 11.555 645 HG22 ILE 81 HG22 ILE 81 0.119 -11.508 11.310 646 HG23 ILE 81 HG23 ILE 81 1.707 -11.221 12.040 647 HD11 ILE 81 HD11 ILE 81 4.311 -12.986 8.145 648 HD12 ILE 81 HD12 ILE 81 4.698 -11.768 9.364 649 HD13 ILE 81 HD13 ILE 81 3.567 -11.385 8.070 650 H PHE 82 H PHE 82 -1.685 -11.885 9.765 651 HA PHE 82 HA PHE 82 -3.226 -10.568 10.878 652 HB2 PHE 82 HB3 PHE 82 -1.133 -9.095 11.419 653 HB3 PHE 82 HB2 PHE 82 -1.759 -8.057 10.141 654 HD1 PHE 82 HD1 PHE 82 -2.368 -9.400 13.495 655 HD2 PHE 82 HD2 PHE 82 -3.766 -6.779 10.447 656 HE1 PHE 82 HE1 PHE 82 -3.913 -8.361 15.104 657 HE2 PHE 82 HE2 PHE 82 -5.313 -5.733 12.050 658 HZ PHE 82 HZ PHE 82 -5.387 -6.524 14.383 659 H ALA 83 H ALA 83 -4.885 -8.919 10.250 660 HA ALA 83 HA ALA 83 -5.417 -7.489 8.164 661 HB1 ALA 83 HB1 ALA 83 -6.147 -9.286 6.356 662 HB2 ALA 83 HB2 ALA 83 -4.860 -10.214 7.124 663 HB3 ALA 83 HB3 ALA 83 -4.508 -8.636 6.418 664 H GLY 84 H GLY 84 -7.112 -7.048 9.600 665 HA2 GLY 84 HA3 GLY 84 -9.138 -9.029 10.140 666 HA3 GLY 84 HA2 GLY 84 -9.169 -7.343 10.633 667 H ILE 85 H ILE 85 -8.525 -7.811 7.332 668 HA ILE 85 HA ILE 85 -11.359 -7.460 6.629 669 HB ILE 85 HB ILE 85 -9.063 -5.849 5.513 670 HG12 ILE 85 HG13 ILE 85 -10.591 -5.423 7.803 671 HG13 ILE 85 HG12 ILE 85 -9.614 -4.225 6.960 672 HG21 ILE 85 HG21 ILE 85 -11.987 -5.792 4.784 673 HG22 ILE 85 HG22 ILE 85 -10.687 -6.444 3.787 674 HG23 ILE 85 HG23 ILE 85 -10.738 -4.718 4.151 675 HD11 ILE 85 HD11 ILE 85 -11.744 -3.921 5.501 676 HD12 ILE 85 HD12 ILE 85 -11.648 -3.173 7.096 677 HD13 ILE 85 HD13 ILE 85 -12.556 -4.668 6.876 678 H LYS 86 H LYS 86 -11.988 -8.275 4.629 679 HA LYS 86 HA LYS 86 -10.009 -9.538 2.921 680 HB2 LYS 86 HB3 LYS 86 -11.624 -11.641 2.999 681 HB3 LYS 86 HB2 LYS 86 -10.279 -11.469 4.117 682 HG2 LYS 86 HG3 LYS 86 -12.543 -10.164 5.236 683 HG3 LYS 86 HG2 LYS 86 -13.025 -11.776 4.703 684 HD2 LYS 86 HD3 LYS 86 -11.559 -12.833 6.138 685 HD3 LYS 86 HD2 LYS 86 -10.484 -11.438 6.234 686 HE2 LYS 86 HE3 LYS 86 -12.581 -10.320 7.361 687 HE3 LYS 86 HE2 LYS 86 -13.019 -11.995 7.697 688 HZ1 LYS 86 HZ1 LYS 86 -10.337 -10.954 8.368 689 HZ2 LYS 86 HZ2 LYS 86 -11.137 -12.303 9.001 690 HZ3 LYS 86 HZ3 LYS 86 -11.643 -10.745 9.425 691 H LYS 87 H LYS 87 -13.395 -8.849 3.596 692 HA LYS 87 HA LYS 87 -14.738 -9.454 1.371 693 HB2 LYS 87 HB3 LYS 87 -15.043 -7.568 3.420 694 HB3 LYS 87 HB2 LYS 87 -15.237 -6.664 1.926 695 HG2 LYS 87 HG3 LYS 87 -17.327 -7.380 1.823 696 HG3 LYS 87 HG2 LYS 87 -16.717 -9.021 1.598 697 HD2 LYS 87 HD3 LYS 87 -16.542 -9.140 4.131 698 HD3 LYS 87 HD2 LYS 87 -17.499 -7.659 4.164 699 HE2 LYS 87 HE3 LYS 87 -18.826 -9.762 4.423 700 HE3 LYS 87 HE2 LYS 87 -19.335 -8.731 3.086 701 HZ1 LYS 87 HZ1 LYS 87 -19.058 -11.262 2.721 702 HZ2 LYS 87 HZ2 LYS 87 -17.411 -10.901 2.597 703 HZ3 LYS 87 HZ3 LYS 87 -18.515 -10.190 1.533 704 H LYS 88 H LYS 88 -14.270 -9.325 -0.720 705 HA LYS 88 HA LYS 88 -12.221 -7.915 -1.888 706 HB2 LYS 88 HB3 LYS 88 -13.389 -9.715 -3.037 707 HB3 LYS 88 HB2 LYS 88 -14.850 -8.740 -3.131 708 HG2 LYS 88 HG3 LYS 88 -13.858 -7.243 -4.676 709 HG3 LYS 88 HG2 LYS 88 -12.254 -7.935 -4.415 710 HD2 LYS 88 HD3 LYS 88 -14.476 -8.880 -6.098 711 HD3 LYS 88 HD2 LYS 88 -12.734 -9.081 -6.298 712 HE2 LYS 88 HE3 LYS 88 -13.700 -11.239 -5.920 713 HE3 LYS 88 HE2 LYS 88 -12.789 -10.782 -4.481 714 HZ1 LYS 88 HZ1 LYS 88 -15.432 -11.567 -4.604 715 HZ2 LYS 88 HZ2 LYS 88 -15.474 -9.909 -4.273 716 HZ3 LYS 88 HZ3 LYS 88 -14.612 -10.951 -3.259 717 H THR 89 H THR 89 -15.536 -6.884 -1.312 718 HA THR 89 HA THR 89 -15.373 -4.461 -2.780 719 HB THR 89 HB THR 89 -17.505 -4.016 -2.009 720 HG1 THR 89 HG1 THR 89 -17.389 -3.791 0.112 721 HG21 THR 89 HG21 THR 89 -17.391 -6.947 -1.369 722 HG22 THR 89 HG22 THR 89 -17.445 -6.300 -3.009 723 HG23 THR 89 HG23 THR 89 -18.786 -6.008 -1.901 724 H GLU 90 H GLU 90 -14.517 -5.383 0.470 725 HA GLU 90 HA GLU 90 -14.274 -2.717 1.483 726 HB2 GLU 90 HB3 GLU 90 -13.032 -5.263 2.540 727 HB3 GLU 90 HB2 GLU 90 -13.226 -3.754 3.421 728 HG2 GLU 90 HG3 GLU 90 -15.694 -4.913 2.317 729 HG3 GLU 90 HG2 GLU 90 -14.916 -5.835 3.601 730 H ARG 91 H ARG 91 -12.005 -5.175 0.335 731 HA ARG 91 HA ARG 91 -9.643 -3.697 0.694 732 HB2 ARG 91 HB3 ARG 91 -10.162 -5.907 -1.245 733 HB3 ARG 91 HB2 ARG 91 -8.618 -5.077 -1.098 734 HG2 ARG 91 HG3 ARG 91 -9.085 -5.727 1.484 735 HG3 ARG 91 HG2 ARG 91 -9.876 -7.080 0.652 736 HD2 ARG 91 HD3 ARG 91 -7.234 -6.894 -0.614 737 HD3 ARG 91 HD2 ARG 91 -7.126 -6.615 1.122 738 HE ARG 91 HE ARG 91 -8.466 -8.747 1.131 739 HH11 ARG 91 HH11 ARG 91 -6.055 -7.784 -1.190 740 HH12 ARG 91 HH12 ARG 91 -5.535 -9.403 -1.517 741 HH21 ARG 91 HH21 ARG 91 -7.790 -10.885 0.708 742 HH22 ARG 91 HH22 ARG 91 -6.521 -11.168 -0.437 743 H GLU 92 H GLU 92 -11.658 -4.152 -2.202 744 HA GLU 92 HA GLU 92 -10.179 -2.520 -3.920 745 HB2 GLU 92 HB3 GLU 92 -12.037 -4.117 -4.544 746 HB3 GLU 92 HB2 GLU 92 -13.173 -2.882 -4.016 747 HG2 GLU 92 HG3 GLU 92 -12.937 -2.782 -6.398 748 HG3 GLU 92 HG2 GLU 92 -12.224 -1.337 -5.682 749 H ASP 93 H ASP 93 -12.783 -1.741 -1.667 750 HA ASP 93 HA ASP 93 -13.234 0.907 -2.445 751 HB2 ASP 93 HB3 ASP 93 -14.796 -0.057 -0.951 752 HB3 ASP 93 HB2 ASP 93 -13.541 -0.509 0.197 753 H GLY 94 H GLY 94 -10.991 -0.424 -0.031 754 HA2 GLY 94 HA3 GLY 94 -9.925 2.007 0.865 755 HA3 GLY 94 HA2 GLY 94 -9.096 0.457 0.917 756 H ILE 95 H ILE 95 -9.118 0.015 -1.921 757 HA ILE 95 HA ILE 95 -6.712 1.261 -2.631 758 HB ILE 95 HB ILE 95 -8.699 -0.441 -4.011 759 HG12 ILE 95 HG13 ILE 95 -5.701 -0.426 -3.682 760 HG13 ILE 95 HG12 ILE 95 -6.863 -1.473 -2.870 761 HG21 ILE 95 HG21 ILE 95 -8.558 0.596 -5.974 762 HG22 ILE 95 HG22 ILE 95 -6.876 0.074 -6.022 763 HG23 ILE 95 HG23 ILE 95 -7.284 1.674 -5.401 764 HD11 ILE 95 HD11 ILE 95 -6.542 -1.492 -5.845 765 HD12 ILE 95 HD12 ILE 95 -7.256 -2.717 -4.795 766 HD13 ILE 95 HD13 ILE 95 -5.513 -2.453 -4.781 767 H ALA 96 H ALA 96 -10.073 2.057 -3.403 768 HA ALA 96 HA ALA 96 -9.619 4.021 -5.335 769 HB1 ALA 96 HB1 ALA 96 -11.846 3.184 -4.895 770 HB2 ALA 96 HB2 ALA 96 -11.822 4.933 -4.662 771 HB3 ALA 96 HB3 ALA 96 -11.811 3.856 -3.265 772 H TYR 97 H TYR 97 -9.873 4.295 -1.807 773 HA TYR 97 HA TYR 97 -9.442 7.065 -1.631 774 HB2 TYR 97 HB3 TYR 97 -10.265 5.967 0.309 775 HB3 TYR 97 HB2 TYR 97 -8.949 4.800 0.301 776 HD1 TYR 97 HD1 TYR 97 -7.999 5.115 2.426 777 HD2 TYR 97 HD2 TYR 97 -8.698 8.489 -0.070 778 HE1 TYR 97 HE1 TYR 97 -6.736 6.528 3.991 779 HE2 TYR 97 HE2 TYR 97 -7.436 9.911 1.488 780 HH TYR 97 HH TYR 97 -5.622 8.574 4.138 781 H LEU 98 H LEU 98 -7.261 4.325 -1.800 782 HA LEU 98 HA LEU 98 -4.852 5.662 -1.233 783 HB2 LEU 98 HB3 LEU 98 -5.636 3.067 -1.867 784 HB3 LEU 98 HB2 LEU 98 -4.578 3.527 -3.186 785 HG LEU 98 HG LEU 98 -3.790 3.754 -0.285 786 HD11 LEU 98 HD11 LEU 98 -2.330 1.694 -1.368 787 HD12 LEU 98 HD12 LEU 98 -3.945 1.423 -2.028 788 HD13 LEU 98 HD13 LEU 98 -3.710 1.522 -0.284 789 HD21 LEU 98 HD21 LEU 98 -2.294 3.942 -2.891 790 HD22 LEU 98 HD22 LEU 98 -1.499 3.737 -1.331 791 HD23 LEU 98 HD23 LEU 98 -2.466 5.178 -1.645 792 H LYS 99 H LYS 99 -6.711 5.267 -4.184 793 HA LYS 99 HA LYS 99 -4.803 6.093 -6.048 794 HB2 LYS 99 HB3 LYS 99 -7.755 6.700 -6.221 795 HB3 LYS 99 HB2 LYS 99 -6.623 6.476 -7.549 796 HG2 LYS 99 HG3 LYS 99 -7.574 4.361 -5.630 797 HG3 LYS 99 HG2 LYS 99 -8.030 4.534 -7.326 798 HD2 LYS 99 HD3 LYS 99 -6.339 2.867 -6.648 799 HD3 LYS 99 HD2 LYS 99 -5.406 4.413 -7.662 800 HE2 LYS 99 HE3 LYS 99 -4.211 3.695 -5.934 801 HE3 LYS 99 HE2 LYS 99 -5.644 3.861 -4.920 802 HZ1 LYS 99 HZ1 LYS 99 -4.317 1.518 -5.636 803 HZ2 LYS 99 HZ2 LYS 99 -5.833 1.471 -6.381 804 HZ3 LYS 99 HZ3 LYS 99 -5.721 1.675 -4.706 805 H LYS 100 H LYS 100 -7.124 7.985 -4.146 806 HA LYS 100 HA LYS 100 -6.275 10.482 -5.279 807 HB2 LYS 100 HB3 LYS 100 -8.330 10.951 -4.505 808 HB3 LYS 100 HB2 LYS 100 -8.320 9.558 -3.435 809 HG2 LYS 100 HG3 LYS 100 -6.984 10.874 -1.814 810 HG3 LYS 100 HG2 LYS 100 -7.161 12.277 -2.869 811 HD2 LYS 100 HD3 LYS 100 -9.331 10.769 -1.422 812 HD3 LYS 100 HD2 LYS 100 -8.832 12.444 -1.179 813 HE2 LYS 100 HE3 LYS 100 -9.921 11.453 -3.799 814 HE3 LYS 100 HE2 LYS 100 -10.965 12.051 -2.511 815 HZ1 LYS 100 HZ1 LYS 100 -9.528 13.525 -4.414 816 HZ2 LYS 100 HZ2 LYS 100 -8.917 13.909 -2.885 817 HZ3 LYS 100 HZ3 LYS 100 -10.567 14.097 -3.208 818 H ALA 101 H ALA 101 -5.624 8.635 -2.399 819 HA ALA 101 HA ALA 101 -4.234 10.485 -0.857 820 HB1 ALA 101 HB1 ALA 101 -3.474 7.593 -0.881 821 HB2 ALA 101 HB2 ALA 101 -5.054 8.100 -0.286 822 HB3 ALA 101 HB3 ALA 101 -3.586 8.707 0.481 823 H THR 102 H THR 102 -3.266 8.699 -3.652 824 HA THR 102 HA THR 102 -0.486 9.576 -3.283 825 HB THR 102 HB THR 102 -0.430 7.302 -3.867 826 HG1 THR 102 HG1 THR 102 -0.913 8.000 -5.540 827 HG21 THR 102 HG21 THR 102 -2.925 7.863 -5.252 828 HG22 THR 102 HG22 THR 102 -2.344 6.373 -4.511 829 HG23 THR 102 HG23 THR 102 -1.843 6.798 -6.148 830 H ASN 103 H ASN 103 -3.419 10.060 -4.928 831 HA ASN 103 HA ASN 103 -2.411 12.458 -6.126 832 HB2 ASN 103 HB3 ASN 103 -3.809 10.745 -8.114 833 HB3 ASN 103 HB2 ASN 103 -2.564 11.967 -8.359 834 HD21 ASN 103 HD21 ASN 103 -3.167 8.667 -7.344 835 HD22 ASN 103 HD22 ASN 103 -1.573 8.080 -7.653 836 H GLU 104 H GLU 104 -3.889 13.792 -5.373 837 HA GLU 104 HA GLU 104 -6.316 14.333 -6.258 838 HB2 GLU 104 HB3 GLU 104 -6.486 11.975 -4.454 839 HB3 GLU 104 HB2 GLU 104 -7.765 13.174 -4.363 840 HG2 GLU 104 HG3 GLU 104 -7.116 12.397 -7.092 841 HG3 GLU 104 HG2 GLU 104 -7.668 11.053 -6.095 842 HHA HEC 201 HHA HEC 201 5.224 -5.201 0.512 843 HHB HEC 201 HHB HEC 201 -0.337 -2.456 0.344 844 HHC HEC 201 HHC HEC 201 -2.029 -6.170 5.161 845 HHD HEC 201 HHD HEC 201 4.088 -5.985 6.807 846 HMA1 HEC 201 HMA1 HEC 201 1.026 -1.148 -1.195 847 HMA2 HEC 201 HMA2 HEC 201 2.633 -0.330 -0.656 848 HMA3 HEC 201 HMA3 HEC 201 2.438 -1.585 -1.497 849 HAA1 HEC 201 HAA1 HEC 201 5.095 -3.044 -1.364 850 HAA2 HEC 201 HAA2 HEC 201 5.677 -2.435 0.195 851 HBA1 HEC 201 HBA1 HEC 201 4.224 -0.377 -0.196 852 HBA2 HEC 201 HBA2 HEC 201 3.965 -0.981 -1.846 853 HMB1 HEC 201 HMB1 HEC 201 -3.522 -1.946 2.026 854 HMB2 HEC 201 HMB2 HEC 201 -3.606 -3.210 0.783 855 HMB3 HEC 201 HMB3 HEC 201 -2.330 -1.966 0.702 856 HAB HEC 201 HAB HEC 201 -3.857 -3.311 4.508 857 HBB1 HEC 201 HBB1 HEC 201 -5.297 -5.249 2.690 858 HBB2 HEC 201 HBB2 HEC 201 -4.649 -3.755 1.988 859 HBB3 HEC 201 HBB3 HEC 201 -5.766 -3.699 3.375 860 HMC1 HEC 201 HMC1 HEC 201 -0.928 -7.689 8.486 861 HMC2 HEC 201 HMC2 HEC 201 -1.907 -7.796 6.883 862 HMC3 HEC 201 HMC3 HEC 201 -0.566 -8.433 7.224 863 HAC HEC 201 HAC HEC 201 3.001 -6.997 8.256 864 HBC1 HEC 201 HBC1 HEC 201 3.274 -9.385 7.699 865 HBC2 HEC 201 HBC2 HEC 201 1.622 -9.694 8.271 866 HBC3 HEC 201 HBC3 HEC 201 2.875 -9.144 9.418 867 HMD1 HEC 201 HMD1 HEC 201 6.008 -7.192 6.401 868 HMD2 HEC 201 HMD2 HEC 201 7.166 -5.899 6.027 869 HMD3 HEC 201 HMD3 HEC 201 7.255 -7.456 5.156 870 HAD1 HEC 201 HAD1 HEC 201 7.980 -6.444 3.198 871 HAD2 HEC 201 HAD2 HEC 201 7.593 -5.003 2.243 872 HBD1 HEC 201 HBD1 HEC 201 7.891 -7.657 1.323 873 HBD2 HEC 201 HBD2 HEC 201 7.369 -6.237 0.395 Start of MODEL 6 1 H1 GLY 1 1H GLY 1 -19.384 3.956 -0.497 2 H2 GLY 1 2H GLY 1 -18.773 3.423 -1.973 3 H3 GLY 1 3H GLY 1 -18.945 5.078 -1.673 4 HA2 GLY 1 HA2 GLY 1 -17.316 3.714 0.271 5 HA3 GLY 1 HA3 GLY 1 -16.660 3.673 -1.358 6 H ASP 2 H ASP 2 -16.605 5.358 1.454 7 HA ASP 2 HA ASP 2 -16.025 7.902 0.098 8 HB2 ASP 2 HB3 ASP 2 -16.647 7.579 3.106 9 HB3 ASP 2 HB2 ASP 2 -16.681 9.072 2.048 10 H VAL 3 H VAL 3 -14.259 9.174 0.971 11 HA VAL 3 HA VAL 3 -11.901 7.678 1.299 12 HB VAL 3 HB VAL 3 -12.596 10.562 1.425 13 HG11 VAL 3 HG11 VAL 3 -11.272 10.639 3.329 14 HG12 VAL 3 HG12 VAL 3 -10.114 10.956 2.037 15 HG13 VAL 3 HG13 VAL 3 -10.208 9.351 2.763 16 HG21 VAL 3 HG21 VAL 3 -11.837 10.281 -0.654 17 HG22 VAL 3 HG22 VAL 3 -11.112 8.720 -0.266 18 HG23 VAL 3 HG23 VAL 3 -10.226 10.209 0.061 19 H GLU 4 H GLU 4 -13.944 9.394 3.625 20 HA GLU 4 HA GLU 4 -12.318 9.097 5.949 21 HB2 GLU 4 HB3 GLU 4 -14.239 10.563 5.973 22 HB3 GLU 4 HB2 GLU 4 -15.330 9.207 5.724 23 HG2 GLU 4 HG3 GLU 4 -14.442 8.308 7.937 24 HG3 GLU 4 HG2 GLU 4 -13.755 9.912 8.175 25 H LYS 5 H LYS 5 -14.853 6.950 4.698 26 HA LYS 5 HA LYS 5 -14.680 5.035 6.761 27 HB2 LYS 5 HB3 LYS 5 -15.540 4.594 3.896 28 HB3 LYS 5 HB2 LYS 5 -15.931 3.574 5.272 29 HG2 LYS 5 HG3 LYS 5 -16.845 6.030 6.075 30 HG3 LYS 5 HG2 LYS 5 -17.190 6.027 4.343 31 HD2 LYS 5 HD3 LYS 5 -17.861 3.528 5.728 32 HD3 LYS 5 HD2 LYS 5 -18.795 4.932 6.252 33 HE2 LYS 5 HE3 LYS 5 -20.061 4.764 4.438 34 HE3 LYS 5 HE2 LYS 5 -18.639 5.004 3.424 35 HZ1 LYS 5 HZ1 LYS 5 -20.162 2.667 3.781 36 HZ2 LYS 5 HZ2 LYS 5 -18.586 2.370 4.317 37 HZ3 LYS 5 HZ3 LYS 5 -18.852 2.925 2.741 38 H GLY 6 H GLY 6 -13.000 5.397 3.684 39 HA2 GLY 6 HA3 GLY 6 -11.729 2.884 3.632 40 HA3 GLY 6 HA2 GLY 6 -11.164 4.332 2.815 41 H LYS 7 H LYS 7 -10.684 5.953 4.952 42 HA LYS 7 HA LYS 7 -8.092 5.238 5.615 43 HB2 LYS 7 HB3 LYS 7 -8.504 7.506 5.828 44 HB3 LYS 7 HB2 LYS 7 -10.022 7.255 6.681 45 HG2 LYS 7 HG3 LYS 7 -7.868 6.210 8.245 46 HG3 LYS 7 HG2 LYS 7 -7.507 7.870 7.767 47 HD2 LYS 7 HD3 LYS 7 -10.185 7.929 8.498 48 HD3 LYS 7 HD2 LYS 7 -9.431 6.871 9.692 49 HE2 LYS 7 HE3 LYS 7 -8.928 8.792 10.741 50 HE3 LYS 7 HE2 LYS 7 -7.618 8.881 9.565 51 HZ1 LYS 7 HZ1 LYS 7 -8.545 10.900 9.222 52 HZ2 LYS 7 HZ2 LYS 7 -10.090 10.420 9.713 53 HZ3 LYS 7 HZ3 LYS 7 -9.533 10.021 8.166 54 H LYS 8 H LYS 8 -10.895 4.979 7.525 55 HA LYS 8 HA LYS 8 -9.947 3.868 9.942 56 HB2 LYS 8 HB3 LYS 8 -12.085 4.610 10.228 57 HB3 LYS 8 HB2 LYS 8 -12.577 4.151 8.603 58 HG2 LYS 8 HG3 LYS 8 -11.974 1.951 10.480 59 HG3 LYS 8 HG2 LYS 8 -13.431 2.894 10.792 60 HD2 LYS 8 HD3 LYS 8 -14.335 2.370 8.666 61 HD3 LYS 8 HD2 LYS 8 -12.795 1.722 8.094 62 HE2 LYS 8 HE3 LYS 8 -14.047 0.477 10.487 63 HE3 LYS 8 HE2 LYS 8 -14.758 0.144 8.906 64 HZ1 LYS 8 HZ1 LYS 8 -11.877 -0.225 9.504 65 HZ2 LYS 8 HZ2 LYS 8 -12.725 -0.764 8.143 66 HZ3 LYS 8 HZ3 LYS 8 -13.021 -1.463 9.653 67 H ILE 9 H ILE 9 -11.041 2.424 6.911 68 HA ILE 9 HA ILE 9 -11.071 -0.256 7.747 69 HB ILE 9 HB ILE 9 -10.860 1.098 5.098 70 HG12 ILE 9 HG13 ILE 9 -12.705 -1.041 6.187 71 HG13 ILE 9 HG12 ILE 9 -13.043 0.688 6.201 72 HG21 ILE 9 HG21 ILE 9 -10.612 -1.957 5.325 73 HG22 ILE 9 HG22 ILE 9 -9.217 -0.815 5.126 74 HG23 ILE 9 HG23 ILE 9 -10.480 -0.906 3.898 75 HD11 ILE 9 HD11 ILE 9 -13.215 -1.328 3.974 76 HD12 ILE 9 HD12 ILE 9 -12.540 0.322 3.584 77 HD13 ILE 9 HD13 ILE 9 -14.144 0.203 4.309 78 H PHE 10 H PHE 10 -8.510 1.703 6.278 79 HA PHE 10 HA PHE 10 -6.565 -0.343 6.139 80 HB2 PHE 10 HB3 PHE 10 -5.972 1.428 4.804 81 HB3 PHE 10 HB2 PHE 10 -6.562 2.628 5.948 82 HD1 PHE 10 HD1 PHE 10 -3.711 1.369 4.467 83 HD2 PHE 10 HD2 PHE 10 -5.188 2.578 8.271 84 HE1 PHE 10 HE1 PHE 10 -1.407 1.763 5.233 85 HE2 PHE 10 HE2 PHE 10 -2.885 2.975 9.045 86 HZ PHE 10 HZ PHE 10 -0.991 2.567 7.524 87 H VAL 11 H VAL 11 -7.416 1.988 8.623 88 HA VAL 11 HA VAL 11 -5.251 1.823 10.302 89 HB VAL 11 HB VAL 11 -8.170 2.076 11.009 90 HG11 VAL 11 HG11 VAL 11 -5.726 2.265 12.745 91 HG12 VAL 11 HG12 VAL 11 -7.185 1.308 13.001 92 HG13 VAL 11 HG13 VAL 11 -7.242 3.063 13.164 93 HG21 VAL 11 HG21 VAL 11 -6.284 3.847 9.855 94 HG22 VAL 11 HG22 VAL 11 -6.623 4.416 11.490 95 HG23 VAL 11 HG23 VAL 11 -7.945 4.182 10.345 96 H GLN 12 H GLN 12 -8.256 -0.405 10.289 97 HA GLN 12 HA GLN 12 -6.949 -2.118 12.317 98 HB2 GLN 12 HB3 GLN 12 -9.278 -3.322 11.059 99 HB3 GLN 12 HB2 GLN 12 -9.028 -2.886 12.743 100 HG2 GLN 12 HG3 GLN 12 -9.424 -0.449 11.599 101 HG3 GLN 12 HG2 GLN 12 -10.472 -1.481 10.625 102 HE21 GLN 12 HE21 GLN 12 -12.237 -0.298 11.530 103 HE22 GLN 12 HE22 GLN 12 -12.831 -0.690 13.105 104 H LYS 13 H LYS 13 -8.020 -2.192 9.137 105 HA LYS 13 HA LYS 13 -7.492 -4.147 7.631 106 HB2 LYS 13 HB3 LYS 13 -7.097 -1.411 7.402 107 HB3 LYS 13 HB2 LYS 13 -5.594 -2.127 6.842 108 HG2 LYS 13 HG3 LYS 13 -8.257 -2.137 5.624 109 HG3 LYS 13 HG2 LYS 13 -6.661 -2.231 4.877 110 HD2 LYS 13 HD3 LYS 13 -6.558 -4.617 5.735 111 HD3 LYS 13 HD2 LYS 13 -8.274 -4.454 6.111 112 HE2 LYS 13 HE3 LYS 13 -7.000 -5.004 3.595 113 HE3 LYS 13 HE2 LYS 13 -8.710 -5.060 4.017 114 HZ1 LYS 13 HZ1 LYS 13 -8.902 -2.726 3.558 115 HZ2 LYS 13 HZ2 LYS 13 -8.206 -3.484 2.216 116 HZ3 LYS 13 HZ3 LYS 13 -7.240 -2.588 3.275 117 H CYS 14 H CYS 14 -4.794 -2.479 9.118 118 HA CYS 14 HA CYS 14 -3.060 -4.449 9.526 119 HB2 CYS 14 HB3 CYS 14 -1.700 -4.917 7.621 120 HB3 CYS 14 HB2 CYS 14 -3.373 -5.589 7.464 121 H ALA 15 H ALA 15 -3.645 -1.454 9.703 122 HA ALA 15 HA ALA 15 -1.534 -0.116 8.522 123 HB1 ALA 15 HB1 ALA 15 -2.779 0.730 11.125 124 HB2 ALA 15 HB2 ALA 15 -3.607 0.871 9.575 125 HB3 ALA 15 HB3 ALA 15 -2.105 1.752 9.855 126 H GLN 16 H GLN 16 -1.622 -1.904 11.518 127 HA GLN 16 HA GLN 16 0.600 -0.892 12.832 128 HB2 GLN 16 HB3 GLN 16 0.324 -3.833 12.889 129 HB3 GLN 16 HB2 GLN 16 0.387 -2.680 14.216 130 HG2 GLN 16 HG3 GLN 16 -1.981 -2.028 13.546 131 HG3 GLN 16 HG2 GLN 16 -1.975 -3.488 12.556 132 HE21 GLN 16 HE21 GLN 16 -0.809 -2.679 15.813 133 HE22 GLN 16 HE22 GLN 16 -1.624 -3.975 16.611 134 H CYS 17 H CYS 17 0.400 -3.136 10.138 135 HA CYS 17 HA CYS 17 3.201 -3.773 10.151 136 HB2 CYS 17 HB3 CYS 17 1.361 -4.139 7.798 137 HB3 CYS 17 HB2 CYS 17 2.762 -5.102 8.257 138 H HIS 18 H HIS 18 1.259 -1.235 8.909 139 HA HIS 18 HA HIS 18 3.464 -0.335 7.182 140 HB2 HIS 18 HB3 HIS 18 0.556 0.489 7.086 141 HB3 HIS 18 HB2 HIS 18 1.817 0.995 5.966 142 HD1 HIS 18 HD1 HIS 18 1.543 -0.188 3.823 143 HD2 HIS 18 HD2 HIS 18 0.608 -2.627 7.051 144 HE1 HIS 18 HE1 HIS 18 0.951 -2.420 2.829 145 H THR 19 H THR 19 2.962 0.004 10.161 146 HA THR 19 HA THR 19 3.124 1.609 11.767 147 HB THR 19 HB THR 19 4.574 3.104 9.577 148 HG1 THR 19 HG1 THR 19 6.402 2.039 10.345 149 HG21 THR 19 HG21 THR 19 5.022 3.238 12.543 150 HG22 THR 19 HG22 THR 19 4.097 4.427 11.625 151 HG23 THR 19 HG23 THR 19 5.812 4.194 11.290 152 H VAL 20 H VAL 20 2.486 3.749 12.465 153 HA VAL 20 HA VAL 20 0.072 4.601 11.119 154 HB VAL 20 HB VAL 20 1.177 5.945 13.559 155 HG11 VAL 20 HG11 VAL 20 -0.967 6.588 12.226 156 HG12 VAL 20 HG12 VAL 20 -1.014 6.542 13.990 157 HG13 VAL 20 HG13 VAL 20 -1.673 5.200 13.055 158 HG21 VAL 20 HG21 VAL 20 0.176 4.253 14.974 159 HG22 VAL 20 HG22 VAL 20 1.385 3.515 13.923 160 HG23 VAL 20 HG23 VAL 20 -0.332 3.332 13.558 161 H GLU 21 H GLU 21 0.605 7.339 12.436 162 HA GLU 21 HA GLU 21 1.310 8.695 10.063 163 HB2 GLU 21 HB3 GLU 21 1.669 10.305 12.449 164 HB3 GLU 21 HB2 GLU 21 0.503 10.480 11.145 165 HG2 GLU 21 HG3 GLU 21 -0.935 8.815 12.212 166 HG3 GLU 21 HG2 GLU 21 0.231 8.654 13.523 167 H LYS 22 H LYS 22 3.147 9.829 9.492 168 HA LYS 22 HA LYS 22 5.607 8.701 10.025 169 HB2 LYS 22 HB3 LYS 22 4.909 10.344 8.163 170 HB3 LYS 22 HB2 LYS 22 5.324 11.609 9.311 171 HG2 LYS 22 HG3 LYS 22 7.146 9.516 8.154 172 HG3 LYS 22 HG2 LYS 22 7.199 11.261 7.892 173 HD2 LYS 22 HD3 LYS 22 7.724 9.823 10.492 174 HD3 LYS 22 HD2 LYS 22 8.930 10.593 9.459 175 HE2 LYS 22 HE3 LYS 22 7.984 12.759 9.873 176 HE3 LYS 22 HE2 LYS 22 6.626 12.048 10.745 177 HZ1 LYS 22 HZ1 LYS 22 9.114 12.835 11.756 178 HZ2 LYS 22 HZ2 LYS 22 8.993 11.156 11.939 179 HZ3 LYS 22 HZ3 LYS 22 7.807 12.166 12.596 180 H GLY 23 H GLY 23 6.839 8.673 11.757 181 HA2 GLY 23 HA3 GLY 23 7.980 10.542 13.225 182 HA3 GLY 23 HA2 GLY 23 6.357 10.598 13.902 183 H GLY 24 H GLY 24 5.913 7.731 13.549 184 HA2 GLY 24 HA3 GLY 24 7.099 6.870 16.030 185 HA3 GLY 24 HA2 GLY 24 5.997 5.943 15.021 186 H LYS 25 H LYS 25 6.940 4.064 14.565 187 HA LYS 25 HA LYS 25 9.793 4.071 13.838 188 HB2 LYS 25 HB3 LYS 25 8.645 1.444 14.320 189 HB3 LYS 25 HB2 LYS 25 10.067 2.194 15.033 190 HG2 LYS 25 HG3 LYS 25 8.934 2.946 16.850 191 HG3 LYS 25 HG2 LYS 25 7.420 3.137 15.966 192 HD2 LYS 25 HD3 LYS 25 8.648 0.536 16.876 193 HD3 LYS 25 HD2 LYS 25 7.233 1.327 17.574 194 HE2 LYS 25 HE3 LYS 25 5.914 0.333 16.092 195 HE3 LYS 25 HE2 LYS 25 6.834 1.041 14.765 196 HZ1 LYS 25 HZ1 LYS 25 6.885 -1.642 15.802 197 HZ2 LYS 25 HZ2 LYS 25 8.427 -0.980 15.588 198 HZ3 LYS 25 HZ3 LYS 25 7.354 -1.061 14.285 199 H HIS 26 H HIS 26 10.476 2.657 12.108 200 HA HIS 26 HA HIS 26 8.880 2.898 9.801 201 HB2 HIS 26 HB3 HIS 26 10.795 0.811 9.427 202 HB3 HIS 26 HB2 HIS 26 10.836 2.461 8.815 203 HD1 HIS 26 HD1 HIS 26 11.571 0.811 12.177 204 HD2 HIS 26 HD2 HIS 26 13.090 3.699 9.604 205 HE1 HIS 26 HE1 HIS 26 13.666 1.658 13.280 206 HE2 HIS 26 HE2 HIS 26 14.516 3.471 11.751 207 H LYS 27 H LYS 27 7.616 1.470 8.694 208 HA LYS 27 HA LYS 27 6.561 -0.751 10.232 209 HB2 LYS 27 HB3 LYS 27 4.705 -0.653 8.872 210 HB3 LYS 27 HB2 LYS 27 5.260 1.012 8.780 211 HG2 LYS 27 HG3 LYS 27 6.613 -0.263 6.729 212 HG3 LYS 27 HG2 LYS 27 4.995 -0.969 6.694 213 HD2 LYS 27 HD3 LYS 27 5.432 1.169 5.324 214 HD3 LYS 27 HD2 LYS 27 3.973 1.090 6.316 215 HE2 LYS 27 HE3 LYS 27 4.625 2.819 7.560 216 HE3 LYS 27 HE2 LYS 27 6.226 2.123 7.809 217 HZ1 LYS 27 HZ1 LYS 27 7.006 3.092 5.820 218 HZ2 LYS 27 HZ2 LYS 27 6.167 4.316 6.630 219 HZ3 LYS 27 HZ3 LYS 27 5.449 3.525 5.316 220 H THR 28 H THR 28 5.962 -2.764 8.862 221 HA THR 28 HA THR 28 8.394 -3.983 8.052 222 HB THR 28 HB THR 28 5.781 -5.197 7.297 223 HG1 THR 28 HG1 THR 28 6.601 -5.208 9.988 224 HG21 THR 28 HG21 THR 28 6.734 -7.211 7.890 225 HG22 THR 28 HG22 THR 28 7.916 -6.456 8.959 226 HG23 THR 28 HG23 THR 28 8.097 -6.322 7.209 227 H GLY 29 H GLY 29 5.623 -2.670 6.303 228 HA2 GLY 29 HA3 GLY 29 7.231 -2.808 3.839 229 HA3 GLY 29 HA2 GLY 29 5.567 -3.370 3.830 230 HA PRO 30 HA PRO 30 6.405 1.437 3.049 231 HB2 PRO 30 HB3 PRO 30 5.341 0.424 0.440 232 HB3 PRO 30 HB2 PRO 30 6.453 1.763 0.754 233 HG2 PRO 30 HG3 PRO 30 7.362 -0.589 -0.111 234 HG3 PRO 30 HG2 PRO 30 8.263 0.355 1.088 235 HD2 PRO 30 HD3 PRO 30 6.685 -2.133 1.438 236 HD3 PRO 30 HD2 PRO 30 8.077 -1.536 2.363 237 H ASN 31 H ASN 31 4.751 2.471 3.957 238 HA ASN 31 HA ASN 31 2.201 1.472 4.354 239 HB2 ASN 31 HB3 ASN 31 3.485 3.595 5.315 240 HB3 ASN 31 HB2 ASN 31 2.525 4.424 4.095 241 HD21 ASN 31 HD21 ASN 31 1.845 5.356 6.300 242 HD22 ASN 31 HD22 ASN 31 0.445 4.636 7.007 243 H LEU 32 H LEU 32 3.076 4.057 2.051 244 HA LEU 32 HA LEU 32 1.601 2.995 0.005 245 HB2 LEU 32 HB3 LEU 32 -0.296 4.504 -0.258 246 HB3 LEU 32 HB2 LEU 32 -0.332 3.544 1.211 247 HG LEU 32 HG LEU 32 -1.382 5.673 1.774 248 HD11 LEU 32 HD11 LEU 32 1.282 5.301 2.715 249 HD12 LEU 32 HD12 LEU 32 -0.145 4.620 3.494 250 HD13 LEU 32 HD13 LEU 32 0.122 6.362 3.515 251 HD21 LEU 32 HD21 LEU 32 -0.609 7.635 1.012 252 HD22 LEU 32 HD22 LEU 32 0.061 6.559 -0.214 253 HD23 LEU 32 HD23 LEU 32 1.052 7.077 1.156 254 H HIS 33 H HIS 33 3.078 5.705 1.500 255 HA HIS 33 HA HIS 33 3.147 7.631 -0.455 256 HB2 HIS 33 HB3 HIS 33 4.463 7.181 1.968 257 HB3 HIS 33 HB2 HIS 33 5.757 7.365 0.789 258 HD1 HIS 33 HD1 HIS 33 6.388 9.636 1.926 259 HD2 HIS 33 HD2 HIS 33 2.602 9.535 0.212 260 HE1 HIS 33 HE1 HIS 33 5.643 12.035 1.796 261 HE2 HIS 33 HE2 HIS 33 3.317 11.942 0.835 262 H GLY 34 H GLY 34 3.886 7.713 -2.468 263 HA2 GLY 34 HA3 GLY 34 5.195 7.321 -4.322 264 HA3 GLY 34 HA2 GLY 34 6.366 6.546 -3.264 265 H LEU 35 H LEU 35 3.184 5.323 -3.051 266 HA LEU 35 HA LEU 35 3.919 2.727 -3.809 267 HB2 LEU 35 HB3 LEU 35 1.989 3.321 -2.357 268 HB3 LEU 35 HB2 LEU 35 1.143 3.914 -3.773 269 HG LEU 35 HG LEU 35 1.086 1.684 -4.730 270 HD11 LEU 35 HD11 LEU 35 2.258 -0.098 -3.987 271 HD12 LEU 35 HD12 LEU 35 2.127 0.383 -2.294 272 HD13 LEU 35 HD13 LEU 35 3.318 1.155 -3.341 273 HD21 LEU 35 HD21 LEU 35 0.098 2.045 -1.928 274 HD22 LEU 35 HD22 LEU 35 -0.182 0.533 -2.791 275 HD23 LEU 35 HD23 LEU 35 -0.806 2.047 -3.442 276 H PHE 36 H PHE 36 2.101 5.215 -5.580 277 HA PHE 36 HA PHE 36 2.469 3.636 -8.035 278 HB2 PHE 36 HB3 PHE 36 0.581 5.935 -7.974 279 HB3 PHE 36 HB2 PHE 36 0.458 4.402 -8.829 280 HD1 PHE 36 HD1 PHE 36 -0.575 2.497 -7.820 281 HD2 PHE 36 HD2 PHE 36 -0.053 6.100 -5.617 282 HE1 PHE 36 HE1 PHE 36 -2.109 1.657 -6.090 283 HE2 PHE 36 HE2 PHE 36 -1.587 5.265 -3.882 284 HZ PHE 36 HZ PHE 36 -2.616 3.041 -4.118 285 H GLY 37 H GLY 37 4.194 5.748 -6.554 286 HA2 GLY 37 HA3 GLY 37 4.707 7.392 -8.956 287 HA3 GLY 37 HA2 GLY 37 4.830 8.045 -7.330 288 H ARG 38 H ARG 38 6.113 5.817 -6.125 289 HA ARG 38 HA ARG 38 8.809 6.272 -7.115 290 HB2 ARG 38 HB3 ARG 38 7.753 4.905 -4.638 291 HB3 ARG 38 HB2 ARG 38 9.463 5.014 -5.037 292 HG2 ARG 38 HG3 ARG 38 9.120 7.534 -5.113 293 HG3 ARG 38 HG2 ARG 38 7.571 7.228 -4.325 294 HD2 ARG 38 HD3 ARG 38 8.562 6.996 -2.350 295 HD3 ARG 38 HD2 ARG 38 9.656 5.774 -2.993 296 HE ARG 38 HE ARG 38 11.255 7.373 -2.744 297 HH11 ARG 38 HH11 ARG 38 8.317 8.918 -3.794 298 HH12 ARG 38 HH12 ARG 38 9.035 10.489 -3.922 299 HH21 ARG 38 HH21 ARG 38 12.211 9.438 -2.908 300 HH22 ARG 38 HH22 ARG 38 11.249 10.784 -3.418 301 H LYS 39 H LYS 39 10.331 4.332 -7.086 302 HA LYS 39 HA LYS 39 9.582 2.533 -9.050 303 HB2 LYS 39 HB3 LYS 39 11.926 3.014 -8.458 304 HB3 LYS 39 HB2 LYS 39 11.718 2.131 -6.951 305 HG2 LYS 39 HG3 LYS 39 12.694 1.078 -9.264 306 HG3 LYS 39 HG2 LYS 39 12.000 0.141 -7.940 307 HD2 LYS 39 HD3 LYS 39 11.030 -0.513 -10.081 308 HD3 LYS 39 HD2 LYS 39 9.811 0.221 -9.036 309 HE2 LYS 39 HE3 LYS 39 10.379 2.403 -10.255 310 HE3 LYS 39 HE2 LYS 39 11.161 1.374 -11.451 311 HZ1 LYS 39 HZ1 LYS 39 9.190 0.566 -12.179 312 HZ2 LYS 39 HZ2 LYS 39 8.627 2.061 -11.619 313 HZ3 LYS 39 HZ3 LYS 39 8.438 0.676 -10.666 314 H THR 40 H THR 40 10.715 0.938 -6.176 315 HA THR 40 HA THR 40 8.131 -0.009 -5.372 316 HB THR 40 HB THR 40 8.630 -2.277 -5.145 317 HG1 THR 40 HG1 THR 40 10.110 -3.472 -6.049 318 HG21 THR 40 HG21 THR 40 8.308 -2.035 -7.896 319 HG22 THR 40 HG22 THR 40 8.594 -2.872 -6.685 320 HG23 THR 40 HG23 THR 40 7.203 -2.890 -6.382 321 H GLY 41 H GLY 41 8.070 0.448 -3.578 322 HA2 GLY 41 HA3 GLY 41 8.570 0.506 -1.337 323 HA3 GLY 41 HA2 GLY 41 9.239 -1.096 -1.596 324 H GLN 42 H GLN 42 10.432 1.915 -3.003 325 HA GLN 42 HA GLN 42 12.998 1.414 -1.671 326 HB2 GLN 42 HB3 GLN 42 13.473 3.440 -3.457 327 HB3 GLN 42 HB2 GLN 42 13.731 1.730 -3.769 328 HG2 GLN 42 HG3 GLN 42 12.483 2.879 -5.555 329 HG3 GLN 42 HG2 GLN 42 11.594 1.540 -4.833 330 HE21 GLN 42 HE21 GLN 42 9.526 2.035 -4.842 331 HE22 GLN 42 HE22 GLN 42 8.837 3.541 -4.351 332 H ALA 43 H ALA 43 11.066 2.467 -0.022 333 HA ALA 43 HA ALA 43 10.848 5.222 0.157 334 HB1 ALA 43 HB1 ALA 43 10.970 4.407 2.792 335 HB2 ALA 43 HB2 ALA 43 10.445 2.960 1.930 336 HB3 ALA 43 HB3 ALA 43 9.527 4.458 1.780 337 HA PRO 44 HA PRO 44 14.690 6.748 1.700 338 HB2 PRO 44 HB3 PRO 44 14.059 8.432 3.685 339 HB3 PRO 44 HB2 PRO 44 13.548 8.735 2.022 340 HG2 PRO 44 HG3 PRO 44 11.983 7.597 4.305 341 HG3 PRO 44 HG2 PRO 44 11.485 8.789 3.092 342 HD2 PRO 44 HD3 PRO 44 10.857 6.118 2.970 343 HD3 PRO 44 HD2 PRO 44 10.960 7.179 1.552 344 H GLY 45 H GLY 45 13.793 7.330 4.915 345 HA2 GLY 45 HA3 GLY 45 15.834 5.625 5.938 346 HA3 GLY 45 HA2 GLY 45 14.694 6.566 6.890 347 H PHE 46 H PHE 46 13.008 4.697 4.719 348 HA PHE 46 HA PHE 46 12.110 2.920 6.807 349 HB2 PHE 46 HB3 PHE 46 10.488 3.909 5.261 350 HB3 PHE 46 HB2 PHE 46 11.287 3.122 3.904 351 HD1 PHE 46 HD1 PHE 46 9.495 2.422 7.074 352 HD2 PHE 46 HD2 PHE 46 10.662 0.981 3.247 353 HE1 PHE 46 HE1 PHE 46 8.060 0.447 7.387 354 HE2 PHE 46 HE2 PHE 46 9.231 -0.996 3.550 355 HZ PHE 46 HZ PHE 46 7.928 -1.266 5.622 356 H THR 47 H THR 47 12.560 0.796 7.039 357 HA THR 47 HA THR 47 14.751 -0.285 5.512 358 HB THR 47 HB THR 47 13.822 -0.643 8.091 359 HG1 THR 47 HG1 THR 47 15.529 -2.151 8.199 360 HG21 THR 47 HG21 THR 47 13.507 -3.115 8.239 361 HG22 THR 47 HG22 THR 47 13.227 -3.118 6.499 362 HG23 THR 47 HG23 THR 47 12.141 -2.226 7.566 363 H TYR 48 H TYR 48 14.218 -0.840 3.488 364 HA TYR 48 HA TYR 48 11.717 -2.009 2.770 365 HB2 TYR 48 HB3 TYR 48 13.647 -2.508 0.747 366 HB3 TYR 48 HB2 TYR 48 12.370 -1.299 0.756 367 HD1 TYR 48 HD1 TYR 48 15.814 -1.845 2.098 368 HD2 TYR 48 HD2 TYR 48 12.966 0.932 0.589 369 HE1 TYR 48 HE1 TYR 48 17.514 -0.070 2.172 370 HE2 TYR 48 HE2 TYR 48 14.659 2.714 0.658 371 HH TYR 48 HH TYR 48 17.771 2.236 2.155 372 H THR 49 H THR 49 11.456 -4.074 1.723 373 HA THR 49 HA THR 49 12.743 -6.197 3.190 374 HB THR 49 HB THR 49 11.150 -7.657 2.128 375 HG1 THR 49 HG1 THR 49 9.698 -6.628 0.525 376 HG21 THR 49 HG21 THR 49 9.230 -5.508 2.264 377 HG22 THR 49 HG22 THR 49 10.336 -5.491 3.636 378 HG23 THR 49 HG23 THR 49 9.400 -6.942 3.277 379 H ASP 50 H ASP 50 13.423 -8.201 1.828 380 HA ASP 50 HA ASP 50 15.685 -7.542 0.369 381 HB2 ASP 50 HB3 ASP 50 15.737 -9.740 1.069 382 HB3 ASP 50 HB2 ASP 50 14.046 -10.019 0.664 383 H ALA 51 H ALA 51 12.379 -8.061 -0.698 384 HA ALA 51 HA ALA 51 12.944 -8.044 -3.489 385 HB1 ALA 51 HB1 ALA 51 10.826 -8.695 -3.591 386 HB2 ALA 51 HB2 ALA 51 10.290 -7.134 -2.970 387 HB3 ALA 51 HB3 ALA 51 10.679 -8.443 -1.853 388 H ASN 52 H ASN 52 11.831 -5.560 -1.201 389 HA ASN 52 HA ASN 52 11.500 -3.486 -3.060 390 HB2 ASN 52 HB3 ASN 52 12.227 -3.356 -0.126 391 HB3 ASN 52 HB2 ASN 52 11.726 -1.971 -1.093 392 HD21 ASN 52 HD21 ASN 52 9.949 -4.087 -2.521 393 HD22 ASN 52 HD22 ASN 52 8.548 -4.141 -1.511 394 H LYS 53 H LYS 53 14.308 -4.438 -1.120 395 HA LYS 53 HA LYS 53 16.022 -2.361 -1.876 396 HB2 LYS 53 HB3 LYS 53 17.855 -4.033 -1.332 397 HB3 LYS 53 HB2 LYS 53 16.691 -3.720 -0.052 398 HG2 LYS 53 HG3 LYS 53 15.574 -5.784 -0.459 399 HG3 LYS 53 HG2 LYS 53 16.517 -6.067 -1.923 400 HD2 LYS 53 HD3 LYS 53 17.675 -7.383 -0.456 401 HD3 LYS 53 HD2 LYS 53 18.541 -5.862 -0.238 402 HE2 LYS 53 HE3 LYS 53 18.036 -5.899 1.922 403 HE3 LYS 53 HE2 LYS 53 16.323 -5.821 1.512 404 HZ1 LYS 53 HZ1 LYS 53 17.851 -8.023 2.500 405 HZ2 LYS 53 HZ2 LYS 53 17.003 -8.433 1.096 406 HZ3 LYS 53 HZ3 LYS 53 16.173 -7.820 2.437 407 H ASN 54 H ASN 54 15.067 -5.301 -3.482 408 HA ASN 54 HA ASN 54 17.102 -5.194 -5.503 409 HB2 ASN 54 HB3 ASN 54 14.480 -6.710 -5.452 410 HB3 ASN 54 HB2 ASN 54 15.791 -6.969 -6.599 411 HD21 ASN 54 HD21 ASN 54 17.147 -6.168 -3.714 412 HD22 ASN 54 HD22 ASN 54 17.437 -7.751 -3.084 413 H LYS 55 H LYS 55 14.162 -3.595 -4.934 414 HA LYS 55 HA LYS 55 13.114 -1.926 -6.081 415 HB2 LYS 55 HB3 LYS 55 15.408 -2.394 -7.975 416 HB3 LYS 55 HB2 LYS 55 14.127 -1.247 -8.336 417 HG2 LYS 55 HG3 LYS 55 14.933 0.281 -6.922 418 HG3 LYS 55 HG2 LYS 55 15.281 -0.917 -5.674 419 HD2 LYS 55 HD3 LYS 55 16.973 -0.121 -8.029 420 HD3 LYS 55 HD2 LYS 55 17.376 -0.044 -6.311 421 HE2 LYS 55 HE3 LYS 55 17.009 -2.632 -6.422 422 HE3 LYS 55 HE2 LYS 55 17.297 -2.398 -8.145 423 HZ1 LYS 55 HZ1 LYS 55 19.383 -2.849 -7.252 424 HZ2 LYS 55 HZ2 LYS 55 19.134 -1.879 -5.889 425 HZ3 LYS 55 HZ3 LYS 55 19.377 -1.164 -7.403 426 H GLY 56 H GLY 56 11.674 -3.992 -6.098 427 HA2 GLY 56 HA3 GLY 56 11.255 -5.515 -8.374 428 HA3 GLY 56 HA2 GLY 56 10.004 -5.097 -7.215 429 H ILE 57 H ILE 57 8.410 -3.746 -7.837 430 HA ILE 57 HA ILE 57 8.874 -1.951 -10.062 431 HB ILE 57 HB ILE 57 7.749 -4.379 -10.627 432 HG12 ILE 57 HG13 ILE 57 8.607 -3.263 -12.405 433 HG13 ILE 57 HG12 ILE 57 6.901 -2.934 -12.691 434 HG21 ILE 57 HG21 ILE 57 5.666 -4.033 -9.613 435 HG22 ILE 57 HG22 ILE 57 5.404 -3.685 -11.321 436 HG23 ILE 57 HG23 ILE 57 5.585 -2.362 -10.171 437 HD11 ILE 57 HD11 ILE 57 7.107 -0.748 -12.174 438 HD12 ILE 57 HD12 ILE 57 8.769 -1.044 -12.690 439 HD13 ILE 57 HD13 ILE 57 8.364 -1.039 -10.971 440 H THR 58 H THR 58 6.872 -0.594 -10.515 441 HA THR 58 HA THR 58 5.992 0.496 -8.008 442 HB THR 58 HB THR 58 6.418 1.484 -10.600 443 HG1 THR 58 HG1 THR 58 5.920 3.469 -9.563 444 HG21 THR 58 HG21 THR 58 4.065 0.930 -11.121 445 HG22 THR 58 HG22 THR 58 4.416 2.657 -11.177 446 HG23 THR 58 HG23 THR 58 3.564 1.976 -9.792 447 H TRP 59 H TRP 59 4.337 -0.277 -6.971 448 HA TRP 59 HA TRP 59 2.397 -2.016 -8.072 449 HB2 TRP 59 HB3 TRP 59 1.720 -0.586 -5.573 450 HB3 TRP 59 HB2 TRP 59 1.724 -2.313 -5.920 451 HD1 TRP 59 HD1 TRP 59 4.150 0.525 -4.952 452 HE1 TRP 59 HE1 TRP 59 6.213 -0.527 -3.828 453 HE3 TRP 59 HE3 TRP 59 3.026 -4.416 -5.644 454 HZ2 TRP 59 HZ2 TRP 59 7.228 -3.106 -3.300 455 HZ3 TRP 59 HZ3 TRP 59 4.596 -6.112 -4.799 456 HH2 TRP 59 HH2 TRP 59 6.653 -5.470 -3.651 457 H LYS 60 H LYS 60 0.973 -1.371 -9.533 458 HA LYS 60 HA LYS 60 -0.271 1.274 -9.271 459 HB2 LYS 60 HB3 LYS 60 0.050 1.388 -11.478 460 HB3 LYS 60 HB2 LYS 60 0.666 -0.258 -11.500 461 HG2 LYS 60 HG3 LYS 60 -1.067 -0.611 -12.876 462 HG3 LYS 60 HG2 LYS 60 -1.985 -0.741 -11.376 463 HD2 LYS 60 HD3 LYS 60 -3.113 1.155 -11.771 464 HD3 LYS 60 HD2 LYS 60 -1.664 2.007 -12.315 465 HE2 LYS 60 HE3 LYS 60 -2.312 0.052 -14.264 466 HE3 LYS 60 HE2 LYS 60 -3.791 0.925 -13.868 467 HZ1 LYS 60 HZ1 LYS 60 -1.876 1.761 -15.596 468 HZ2 LYS 60 HZ2 LYS 60 -1.517 2.645 -14.201 469 HZ3 LYS 60 HZ3 LYS 60 -3.057 2.747 -14.892 470 H GLU 61 H GLU 61 -2.627 1.292 -10.108 471 HA GLU 61 HA GLU 61 -4.194 -0.203 -8.327 472 HB2 GLU 61 HB3 GLU 61 -4.600 1.959 -10.012 473 HB3 GLU 61 HB2 GLU 61 -5.653 0.717 -10.677 474 HG2 GLU 61 HG3 GLU 61 -5.935 0.744 -7.843 475 HG3 GLU 61 HG2 GLU 61 -6.101 2.390 -8.455 476 H GLU 62 H GLU 62 -3.985 -0.483 -11.881 477 HA GLU 62 HA GLU 62 -5.556 -2.807 -12.071 478 HB2 GLU 62 HB3 GLU 62 -5.074 -2.779 -14.319 479 HB3 GLU 62 HB2 GLU 62 -4.721 -1.111 -13.893 480 HG2 GLU 62 HG3 GLU 62 -2.332 -1.715 -13.686 481 HG3 GLU 62 HG2 GLU 62 -2.731 -3.338 -14.247 482 H THR 63 H THR 63 -2.043 -2.378 -11.857 483 HA THR 63 HA THR 63 -1.354 -5.088 -12.192 484 HB THR 63 HB THR 63 0.006 -2.659 -11.737 485 HG1 THR 63 HG1 THR 63 1.330 -3.717 -12.950 486 HG21 THR 63 HG21 THR 63 1.512 -2.958 -10.033 487 HG22 THR 63 HG22 THR 63 1.228 -4.697 -9.942 488 HG23 THR 63 HG23 THR 63 0.027 -3.574 -9.310 489 H LEU 64 H LEU 64 -2.474 -3.261 -9.465 490 HA LEU 64 HA LEU 64 -1.703 -5.123 -7.449 491 HB2 LEU 64 HB3 LEU 64 -3.187 -2.616 -7.617 492 HB3 LEU 64 HB2 LEU 64 -3.875 -3.728 -6.448 493 HG LEU 64 HG LEU 64 -1.036 -2.701 -6.476 494 HD11 LEU 64 HD11 LEU 64 -2.132 -0.944 -5.562 495 HD12 LEU 64 HD12 LEU 64 -2.031 -1.949 -4.117 496 HD13 LEU 64 HD13 LEU 64 -3.515 -1.920 -5.067 497 HD21 LEU 64 HD21 LEU 64 -0.721 -3.918 -4.421 498 HD22 LEU 64 HD22 LEU 64 -1.222 -5.039 -5.686 499 HD23 LEU 64 HD23 LEU 64 -2.384 -4.507 -4.472 500 H MET 65 H MET 65 -4.531 -4.661 -9.473 501 HA MET 65 HA MET 65 -6.316 -6.354 -8.130 502 HB2 MET 65 HB3 MET 65 -6.069 -5.584 -11.036 503 HB3 MET 65 HB2 MET 65 -7.371 -6.605 -10.440 504 HG2 MET 65 HG3 MET 65 -6.793 -3.747 -9.723 505 HG3 MET 65 HG2 MET 65 -8.203 -4.392 -10.565 506 HE1 MET 65 HE1 MET 65 -6.706 -3.241 -7.382 507 HE2 MET 65 HE2 MET 65 -6.240 -4.915 -7.081 508 HE3 MET 65 HE3 MET 65 -7.477 -4.147 -6.083 509 H GLU 66 H GLU 66 -3.916 -7.018 -10.641 510 HA GLU 66 HA GLU 66 -4.546 -9.823 -10.754 511 HB2 GLU 66 HB3 GLU 66 -2.322 -9.858 -12.070 512 HB3 GLU 66 HB2 GLU 66 -3.692 -9.009 -12.771 513 HG2 GLU 66 HG3 GLU 66 -2.796 -6.887 -12.058 514 HG3 GLU 66 HG2 GLU 66 -1.465 -7.697 -11.230 515 H TYR 67 H TYR 67 -2.149 -7.785 -9.193 516 HA TYR 67 HA TYR 67 -0.422 -9.795 -8.265 517 HB2 TYR 67 HB3 TYR 67 0.559 -7.752 -7.983 518 HB3 TYR 67 HB2 TYR 67 -0.963 -6.959 -7.592 519 HD1 TYR 67 HD1 TYR 67 1.962 -8.659 -6.266 520 HD2 TYR 67 HD2 TYR 67 -1.853 -7.048 -5.292 521 HE1 TYR 67 HE1 TYR 67 2.564 -8.691 -3.882 522 HE2 TYR 67 HE2 TYR 67 -1.261 -7.074 -2.904 523 HH TYR 67 HH TYR 67 0.573 -7.182 -1.462 524 H LEU 68 H LEU 68 -3.554 -8.800 -7.235 525 HA LEU 68 HA LEU 68 -3.498 -9.628 -4.552 526 HB2 LEU 68 HB3 LEU 68 -5.688 -9.321 -6.580 527 HB3 LEU 68 HB2 LEU 68 -6.031 -9.974 -4.989 528 HG LEU 68 HG LEU 68 -4.769 -7.275 -5.464 529 HD11 LEU 68 HD11 LEU 68 -6.898 -6.290 -5.068 530 HD12 LEU 68 HD12 LEU 68 -7.622 -7.857 -4.699 531 HD13 LEU 68 HD13 LEU 68 -7.104 -7.491 -6.344 532 HD21 LEU 68 HD21 LEU 68 -4.228 -8.216 -3.302 533 HD22 LEU 68 HD22 LEU 68 -5.929 -8.574 -3.003 534 HD23 LEU 68 HD23 LEU 68 -5.384 -6.900 -3.110 535 H GLU 69 H GLU 69 -3.375 -11.425 -7.435 536 HA GLU 69 HA GLU 69 -4.690 -13.790 -6.701 537 HB2 GLU 69 HB3 GLU 69 -3.329 -12.903 -8.921 538 HB3 GLU 69 HB2 GLU 69 -2.274 -14.175 -8.317 539 HG2 GLU 69 HG3 GLU 69 -4.119 -15.756 -8.380 540 HG3 GLU 69 HG2 GLU 69 -5.203 -14.485 -8.940 541 H ASN 70 H ASN 70 -1.166 -13.671 -7.039 542 HA ASN 70 HA ASN 70 -0.957 -15.184 -4.519 543 HB2 ASN 70 HB3 ASN 70 0.436 -15.510 -7.149 544 HB3 ASN 70 HB2 ASN 70 1.272 -15.976 -5.669 545 HD21 ASN 70 HD21 ASN 70 -1.076 -16.821 -7.978 546 HD22 ASN 70 HD22 ASN 70 -1.591 -18.305 -7.258 547 HA PRO 71 HA PRO 71 1.057 -11.173 -3.552 548 HB2 PRO 71 HB3 PRO 71 1.063 -12.618 -0.942 549 HB3 PRO 71 HB2 PRO 71 0.625 -10.943 -1.301 550 HG2 PRO 71 HG3 PRO 71 -1.257 -12.763 -0.827 551 HG3 PRO 71 HG2 PRO 71 -1.484 -11.518 -2.069 552 HD2 PRO 71 HD3 PRO 71 -0.841 -14.414 -2.380 553 HD3 PRO 71 HD2 PRO 71 -1.831 -13.358 -3.411 554 H LYS 72 H LYS 72 2.014 -14.469 -2.749 555 HA LYS 72 HA LYS 72 4.730 -13.743 -2.139 556 HB2 LYS 72 HB3 LYS 72 4.739 -15.752 -1.168 557 HB3 LYS 72 HB2 LYS 72 3.088 -15.994 -1.721 558 HG2 LYS 72 HG3 LYS 72 4.092 -17.841 -2.603 559 HG3 LYS 72 HG2 LYS 72 4.279 -16.713 -3.947 560 HD2 LYS 72 HD3 LYS 72 6.478 -16.401 -2.149 561 HD3 LYS 72 HD2 LYS 72 6.295 -18.111 -2.547 562 HE2 LYS 72 HE3 LYS 72 5.945 -16.691 -4.949 563 HE3 LYS 72 HE2 LYS 72 7.345 -15.978 -4.148 564 HZ1 LYS 72 HZ1 LYS 72 8.334 -18.163 -3.976 565 HZ2 LYS 72 HZ2 LYS 72 7.960 -17.828 -5.591 566 HZ3 LYS 72 HZ3 LYS 72 6.978 -18.874 -4.697 567 H LYS 73 H LYS 73 2.932 -14.606 -4.951 568 HA LYS 73 HA LYS 73 5.094 -15.549 -6.539 569 HB2 LYS 73 HB3 LYS 73 3.577 -15.673 -8.277 570 HB3 LYS 73 HB2 LYS 73 2.508 -15.766 -6.884 571 HG2 LYS 73 HG3 LYS 73 1.372 -14.186 -8.009 572 HG3 LYS 73 HG2 LYS 73 2.543 -13.107 -7.247 573 HD2 LYS 73 HD3 LYS 73 2.159 -12.864 -9.771 574 HD3 LYS 73 HD2 LYS 73 3.828 -12.936 -9.196 575 HE2 LYS 73 HE3 LYS 73 3.300 -14.337 -11.228 576 HE3 LYS 73 HE2 LYS 73 4.068 -15.185 -9.884 577 HZ1 LYS 73 HZ1 LYS 73 1.736 -15.827 -9.205 578 HZ2 LYS 73 HZ2 LYS 73 2.337 -16.566 -10.604 579 HZ3 LYS 73 HZ3 LYS 73 1.233 -15.289 -10.729 580 H TYR 74 H TYR 74 3.814 -12.390 -5.793 581 HA TYR 74 HA TYR 74 5.301 -11.063 -7.880 582 HB2 TYR 74 HB3 TYR 74 3.363 -10.271 -5.789 583 HB3 TYR 74 HB2 TYR 74 4.546 -9.046 -6.241 584 HD1 TYR 74 HD1 TYR 74 2.051 -11.384 -7.725 585 HD2 TYR 74 HD2 TYR 74 4.178 -7.721 -8.119 586 HE1 TYR 74 HE1 TYR 74 0.702 -10.820 -9.702 587 HE2 TYR 74 HE2 TYR 74 2.834 -7.146 -10.096 588 HH TYR 74 HH TYR 74 0.600 -9.435 -11.528 589 H ILE 75 H ILE 75 5.534 -11.401 -4.358 590 HA ILE 75 HA ILE 75 8.357 -10.603 -4.556 591 HB ILE 75 HB ILE 75 6.343 -9.622 -2.544 592 HG12 ILE 75 HG13 ILE 75 6.397 -8.117 -4.325 593 HG13 ILE 75 HG12 ILE 75 7.572 -7.428 -3.211 594 HG21 ILE 75 HG21 ILE 75 8.357 -8.540 -1.444 595 HG22 ILE 75 HG22 ILE 75 9.342 -9.681 -2.360 596 HG23 ILE 75 HG23 ILE 75 8.160 -10.274 -1.194 597 HD11 ILE 75 HD11 ILE 75 8.881 -7.331 -5.016 598 HD12 ILE 75 HD12 ILE 75 7.937 -8.540 -5.889 599 HD13 ILE 75 HD13 ILE 75 9.147 -9.048 -4.711 600 HA PRO 76 HA PRO 76 7.890 -14.780 -2.558 601 HB2 PRO 76 HB3 PRO 76 10.592 -14.985 -3.764 602 HB3 PRO 76 HB2 PRO 76 9.248 -16.130 -3.815 603 HG2 PRO 76 HG3 PRO 76 9.898 -14.682 -5.960 604 HG3 PRO 76 HG2 PRO 76 8.203 -15.029 -5.567 605 HD2 PRO 76 HD3 PRO 76 9.769 -12.513 -5.163 606 HD3 PRO 76 HD2 PRO 76 8.079 -12.721 -5.667 607 H GLY 77 H GLY 77 8.543 -15.179 -0.531 608 HA2 GLY 77 HA3 GLY 77 10.296 -15.369 1.114 609 HA3 GLY 77 HA2 GLY 77 11.055 -13.955 0.401 610 H THR 78 H THR 78 8.179 -12.806 0.275 611 HA THR 78 HA THR 78 8.273 -11.711 2.994 612 HB THR 78 HB THR 78 8.077 -10.455 0.556 613 HG1 THR 78 HG1 THR 78 7.099 -9.426 3.008 614 HG21 THR 78 HG21 THR 78 5.645 -11.261 0.528 615 HG22 THR 78 HG22 THR 78 5.969 -9.555 0.216 616 HG23 THR 78 HG23 THR 78 5.387 -10.067 1.800 617 H LYS 79 H LYS 79 6.763 -12.175 4.449 618 HA LYS 79 HA LYS 79 4.363 -13.615 3.547 619 HB2 LYS 79 HB3 LYS 79 6.093 -14.603 5.240 620 HB3 LYS 79 HB2 LYS 79 5.284 -13.554 6.398 621 HG2 LYS 79 HG3 LYS 79 4.517 -16.014 6.131 622 HG3 LYS 79 HG2 LYS 79 3.312 -14.736 6.302 623 HD2 LYS 79 HD3 LYS 79 2.785 -16.378 4.509 624 HD3 LYS 79 HD2 LYS 79 2.915 -14.713 3.933 625 HE2 LYS 79 HE3 LYS 79 4.029 -16.368 2.456 626 HE3 LYS 79 HE2 LYS 79 5.115 -15.122 3.068 627 HZ1 LYS 79 HZ1 LYS 79 6.038 -17.406 3.144 628 HZ2 LYS 79 HZ2 LYS 79 4.851 -17.820 4.274 629 HZ3 LYS 79 HZ3 LYS 79 6.003 -16.641 4.653 630 H MET 80 H MET 80 2.341 -12.927 4.116 631 HA MET 80 HA MET 80 2.200 -10.271 5.369 632 HB2 MET 80 HB3 MET 80 0.520 -11.689 3.340 633 HB3 MET 80 HB2 MET 80 -0.222 -10.454 4.347 634 HG2 MET 80 HG3 MET 80 2.292 -9.916 2.813 635 HG3 MET 80 HG2 MET 80 0.702 -9.767 2.067 636 HE1 MET 80 HE1 MET 80 -0.596 -8.173 2.002 637 HE2 MET 80 HE2 MET 80 -0.050 -6.519 2.277 638 HE3 MET 80 HE3 MET 80 -1.153 -7.286 3.420 639 H ILE 81 H ILE 81 1.736 -10.342 7.060 640 HA ILE 81 HA ILE 81 -0.082 -12.433 8.448 641 HB ILE 81 HB ILE 81 1.821 -10.723 10.051 642 HG12 ILE 81 HG13 ILE 81 3.001 -13.014 10.288 643 HG13 ILE 81 HG12 ILE 81 2.089 -13.469 8.851 644 HG21 ILE 81 HG21 ILE 81 0.005 -11.436 11.414 645 HG22 ILE 81 HG22 ILE 81 1.387 -12.462 11.798 646 HG23 ILE 81 HG23 ILE 81 0.090 -13.077 10.771 647 HD11 ILE 81 HD11 ILE 81 3.249 -11.009 8.238 648 HD12 ILE 81 HD12 ILE 81 3.722 -12.601 7.642 649 HD13 ILE 81 HD13 ILE 81 4.498 -11.928 9.077 650 H PHE 82 H PHE 82 -2.022 -11.903 9.242 651 HA PHE 82 HA PHE 82 -3.524 -10.579 10.481 652 HB2 PHE 82 HB3 PHE 82 -1.426 -8.963 10.748 653 HB3 PHE 82 HB2 PHE 82 -2.299 -8.033 9.538 654 HD1 PHE 82 HD1 PHE 82 -3.885 -6.511 10.226 655 HD2 PHE 82 HD2 PHE 82 -2.839 -9.726 12.811 656 HE1 PHE 82 HE1 PHE 82 -5.306 -5.551 11.989 657 HE2 PHE 82 HE2 PHE 82 -4.261 -8.772 14.579 658 HZ PHE 82 HZ PHE 82 -5.496 -6.682 14.169 659 H ALA 83 H ALA 83 -5.132 -8.783 9.768 660 HA ALA 83 HA ALA 83 -5.736 -7.647 7.535 661 HB1 ALA 83 HB1 ALA 83 -6.692 -9.609 6.050 662 HB2 ALA 83 HB2 ALA 83 -5.430 -10.525 6.870 663 HB3 ALA 83 HB3 ALA 83 -5.010 -9.096 5.927 664 H GLY 84 H GLY 84 -7.243 -6.945 9.119 665 HA2 GLY 84 HA3 GLY 84 -9.359 -8.687 9.993 666 HA3 GLY 84 HA2 GLY 84 -9.232 -6.961 10.299 667 H ILE 85 H ILE 85 -9.113 -8.389 7.098 668 HA ILE 85 HA ILE 85 -11.831 -7.394 6.573 669 HB ILE 85 HB ILE 85 -9.416 -6.943 4.819 670 HG12 ILE 85 HG13 ILE 85 -9.612 -5.393 6.730 671 HG13 ILE 85 HG12 ILE 85 -9.866 -4.571 5.195 672 HG21 ILE 85 HG21 ILE 85 -11.882 -7.468 3.883 673 HG22 ILE 85 HG22 ILE 85 -10.744 -6.383 3.085 674 HG23 ILE 85 HG23 ILE 85 -12.008 -5.725 4.124 675 HD11 ILE 85 HD11 ILE 85 -12.270 -4.621 5.557 676 HD12 ILE 85 HD12 ILE 85 -11.438 -3.817 6.887 677 HD13 ILE 85 HD13 ILE 85 -12.027 -5.467 7.086 678 H LYS 86 H LYS 86 -13.089 -8.878 5.673 679 HA LYS 86 HA LYS 86 -11.825 -11.053 4.145 680 HB2 LYS 86 HB3 LYS 86 -13.779 -12.466 4.974 681 HB3 LYS 86 HB2 LYS 86 -12.528 -12.081 6.149 682 HG2 LYS 86 HG3 LYS 86 -13.883 -10.479 7.218 683 HG3 LYS 86 HG2 LYS 86 -15.048 -10.468 5.892 684 HD2 LYS 86 HD3 LYS 86 -15.369 -12.968 6.463 685 HD3 LYS 86 HD2 LYS 86 -14.592 -12.559 7.993 686 HE2 LYS 86 HE3 LYS 86 -16.494 -11.717 8.771 687 HE3 LYS 86 HE2 LYS 86 -16.596 -10.610 7.404 688 HZ1 LYS 86 HZ1 LYS 86 -18.528 -11.857 7.254 689 HZ2 LYS 86 HZ2 LYS 86 -17.766 -13.305 7.686 690 HZ3 LYS 86 HZ3 LYS 86 -17.502 -12.636 6.155 691 H LYS 87 H LYS 87 -12.569 -8.858 2.800 692 HA LYS 87 HA LYS 87 -14.631 -9.880 1.074 693 HB2 LYS 87 HB3 LYS 87 -15.105 -7.543 2.869 694 HB3 LYS 87 HB2 LYS 87 -15.768 -7.497 1.241 695 HG2 LYS 87 HG3 LYS 87 -17.100 -9.410 1.627 696 HG3 LYS 87 HG2 LYS 87 -16.255 -9.778 3.131 697 HD2 LYS 87 HD3 LYS 87 -17.302 -8.065 4.289 698 HD3 LYS 87 HD2 LYS 87 -17.682 -7.168 2.817 699 HE2 LYS 87 HE3 LYS 87 -19.221 -9.111 2.229 700 HE3 LYS 87 HE2 LYS 87 -19.014 -9.637 3.898 701 HZ1 LYS 87 HZ1 LYS 87 -19.859 -7.475 4.623 702 HZ2 LYS 87 HZ2 LYS 87 -20.993 -8.302 3.677 703 HZ3 LYS 87 HZ3 LYS 87 -20.108 -7.022 3.012 704 H LYS 88 H LYS 88 -13.800 -9.614 -0.878 705 HA LYS 88 HA LYS 88 -11.602 -8.110 -1.561 706 HB2 LYS 88 HB3 LYS 88 -11.907 -9.068 -3.557 707 HB3 LYS 88 HB2 LYS 88 -13.370 -9.789 -2.899 708 HG2 LYS 88 HG3 LYS 88 -13.437 -7.048 -4.089 709 HG3 LYS 88 HG2 LYS 88 -13.492 -8.480 -5.119 710 HD2 LYS 88 HD3 LYS 88 -15.364 -9.174 -3.346 711 HD3 LYS 88 HD2 LYS 88 -15.506 -7.420 -3.221 712 HE2 LYS 88 HE3 LYS 88 -15.907 -7.239 -5.592 713 HE3 LYS 88 HE2 LYS 88 -15.612 -8.964 -5.808 714 HZ1 LYS 88 HZ1 LYS 88 -18.035 -7.806 -5.402 715 HZ2 LYS 88 HZ2 LYS 88 -17.653 -8.416 -3.870 716 HZ3 LYS 88 HZ3 LYS 88 -17.685 -9.450 -5.207 717 H THR 89 H THR 89 -14.994 -7.153 -1.576 718 HA THR 89 HA THR 89 -14.683 -4.688 -2.897 719 HB THR 89 HB THR 89 -16.838 -5.994 -2.302 720 HG1 THR 89 HG1 THR 89 -17.196 -4.161 -3.360 721 HG21 THR 89 HG21 THR 89 -17.187 -4.140 -0.044 722 HG22 THR 89 HG22 THR 89 -16.196 -5.567 0.259 723 HG23 THR 89 HG23 THR 89 -17.855 -5.749 -0.314 724 H GLU 90 H GLU 90 -13.976 -5.688 0.332 725 HA GLU 90 HA GLU 90 -13.971 -3.076 1.504 726 HB2 GLU 90 HB3 GLU 90 -12.651 -5.631 2.445 727 HB3 GLU 90 HB2 GLU 90 -12.858 -4.172 3.407 728 HG2 GLU 90 HG3 GLU 90 -15.225 -5.550 2.214 729 HG3 GLU 90 HG2 GLU 90 -14.501 -6.135 3.711 730 H ARG 91 H ARG 91 -11.487 -5.296 0.321 731 HA ARG 91 HA ARG 91 -9.279 -3.613 0.849 732 HB2 ARG 91 HB3 ARG 91 -9.719 -6.014 -1.043 733 HB3 ARG 91 HB2 ARG 91 -8.162 -5.083 -0.878 734 HG2 ARG 91 HG3 ARG 91 -8.601 -5.690 1.717 735 HG3 ARG 91 HG2 ARG 91 -9.392 -7.062 0.915 736 HD2 ARG 91 HD3 ARG 91 -6.754 -6.868 -0.374 737 HD3 ARG 91 HD2 ARG 91 -6.646 -6.589 1.368 738 HE ARG 91 HE ARG 91 -7.971 -8.710 1.410 739 HH11 ARG 91 HH11 ARG 91 -5.583 -7.773 -0.947 740 HH12 ARG 91 HH12 ARG 91 -5.041 -9.325 -1.213 741 HH21 ARG 91 HH21 ARG 91 -7.282 -10.852 1.020 742 HH22 ARG 91 HH22 ARG 91 -6.022 -11.155 -0.114 743 H GLU 92 H GLU 92 -11.207 -4.184 -2.074 744 HA GLU 92 HA GLU 92 -9.755 -2.586 -3.833 745 HB2 GLU 92 HB3 GLU 92 -12.755 -2.925 -3.858 746 HB3 GLU 92 HB2 GLU 92 -11.713 -2.558 -5.226 747 HG2 GLU 92 HG3 GLU 92 -12.436 -5.110 -4.078 748 HG3 GLU 92 HG2 GLU 92 -11.738 -4.734 -5.651 749 H ASP 93 H ASP 93 -12.260 -1.726 -1.512 750 HA ASP 93 HA ASP 93 -12.731 0.903 -2.335 751 HB2 ASP 93 HB3 ASP 93 -13.679 -0.704 -0.326 752 HB3 ASP 93 HB2 ASP 93 -12.759 0.495 0.576 753 H GLY 94 H GLY 94 -10.379 -0.371 0.006 754 HA2 GLY 94 HA3 GLY 94 -9.274 2.066 0.813 755 HA3 GLY 94 HA2 GLY 94 -8.430 0.523 0.825 756 H ILE 95 H ILE 95 -8.645 0.111 -2.035 757 HA ILE 95 HA ILE 95 -6.259 1.299 -2.874 758 HB ILE 95 HB ILE 95 -8.436 0.274 -4.691 759 HG12 ILE 95 HG13 ILE 95 -6.812 -1.109 -2.726 760 HG13 ILE 95 HG12 ILE 95 -8.160 -1.713 -3.684 761 HG21 ILE 95 HG21 ILE 95 -6.852 0.101 -6.345 762 HG22 ILE 95 HG22 ILE 95 -5.512 0.025 -5.203 763 HG23 ILE 95 HG23 ILE 95 -6.318 1.562 -5.513 764 HD11 ILE 95 HD11 ILE 95 -6.358 -3.069 -4.264 765 HD12 ILE 95 HD12 ILE 95 -5.242 -1.705 -4.350 766 HD13 ILE 95 HD13 ILE 95 -6.480 -1.913 -5.590 767 H ALA 96 H ALA 96 -9.629 2.163 -3.592 768 HA ALA 96 HA ALA 96 -9.148 4.234 -5.391 769 HB1 ALA 96 HB1 ALA 96 -11.391 4.175 -3.379 770 HB2 ALA 96 HB2 ALA 96 -11.371 3.209 -4.855 771 HB3 ALA 96 HB3 ALA 96 -11.375 4.969 -4.955 772 H TYR 97 H TYR 97 -9.298 4.259 -1.860 773 HA TYR 97 HA TYR 97 -9.017 7.058 -1.547 774 HB2 TYR 97 HB3 TYR 97 -9.852 5.807 0.307 775 HB3 TYR 97 HB2 TYR 97 -8.455 4.738 0.302 776 HD1 TYR 97 HD1 TYR 97 -9.920 7.513 1.862 777 HD2 TYR 97 HD2 TYR 97 -6.139 5.973 0.674 778 HE1 TYR 97 HE1 TYR 97 -8.817 8.961 3.516 779 HE2 TYR 97 HE2 TYR 97 -5.025 7.414 2.323 780 HH TYR 97 HH TYR 97 -6.795 9.839 4.137 781 H LEU 98 H LEU 98 -6.722 4.403 -1.788 782 HA LEU 98 HA LEU 98 -4.399 5.842 -1.096 783 HB2 LEU 98 HB3 LEU 98 -5.049 3.221 -1.910 784 HB3 LEU 98 HB2 LEU 98 -3.846 3.801 -3.044 785 HG LEU 98 HG LEU 98 -3.257 4.250 -0.179 786 HD11 LEU 98 HD11 LEU 98 -2.261 1.805 -0.315 787 HD12 LEU 98 HD12 LEU 98 -3.643 1.561 -1.381 788 HD13 LEU 98 HD13 LEU 98 -3.894 2.109 0.277 789 HD21 LEU 98 HD21 LEU 98 -1.499 4.914 -1.474 790 HD22 LEU 98 HD22 LEU 98 -1.811 3.704 -2.717 791 HD23 LEU 98 HD23 LEU 98 -1.042 3.233 -1.201 792 H LYS 99 H LYS 99 -6.080 5.349 -4.151 793 HA LYS 99 HA LYS 99 -4.144 6.367 -5.889 794 HB2 LYS 99 HB3 LYS 99 -6.965 6.999 -6.517 795 HB3 LYS 99 HB2 LYS 99 -5.742 6.208 -7.501 796 HG2 LYS 99 HG3 LYS 99 -6.062 4.232 -5.844 797 HG3 LYS 99 HG2 LYS 99 -7.593 5.032 -5.480 798 HD2 LYS 99 HD3 LYS 99 -6.960 4.719 -8.342 799 HD3 LYS 99 HD2 LYS 99 -7.270 3.222 -7.460 800 HE2 LYS 99 HE3 LYS 99 -9.451 3.755 -7.047 801 HE3 LYS 99 HE2 LYS 99 -9.140 5.489 -7.043 802 HZ1 LYS 99 HZ1 LYS 99 -8.845 5.343 -9.480 803 HZ2 LYS 99 HZ2 LYS 99 -10.407 4.940 -8.973 804 HZ3 LYS 99 HZ3 LYS 99 -9.324 3.720 -9.420 805 H LYS 100 H LYS 100 -6.729 8.021 -4.112 806 HA LYS 100 HA LYS 100 -6.112 10.596 -5.181 807 HB2 LYS 100 HB3 LYS 100 -7.787 9.674 -2.852 808 HB3 LYS 100 HB2 LYS 100 -7.590 11.374 -3.254 809 HG2 LYS 100 HG3 LYS 100 -9.192 11.233 -4.769 810 HG3 LYS 100 HG2 LYS 100 -8.323 9.948 -5.611 811 HD2 LYS 100 HD3 LYS 100 -9.839 8.468 -4.941 812 HD3 LYS 100 HD2 LYS 100 -9.483 8.851 -3.256 813 HE2 LYS 100 HE3 LYS 100 -11.298 10.581 -4.907 814 HE3 LYS 100 HE2 LYS 100 -11.900 9.139 -4.090 815 HZ1 LYS 100 HZ1 LYS 100 -11.787 11.567 -2.974 816 HZ2 LYS 100 HZ2 LYS 100 -10.325 10.911 -2.432 817 HZ3 LYS 100 HZ3 LYS 100 -11.782 10.121 -2.095 818 H ALA 101 H ALA 101 -5.280 8.791 -2.320 819 HA ALA 101 HA ALA 101 -4.112 10.738 -0.730 820 HB1 ALA 101 HB1 ALA 101 -4.574 8.128 -0.405 821 HB2 ALA 101 HB2 ALA 101 -3.450 9.033 0.609 822 HB3 ALA 101 HB3 ALA 101 -2.842 8.069 -0.737 823 H THR 102 H THR 102 -2.925 9.186 -3.583 824 HA THR 102 HA THR 102 -0.278 10.392 -3.164 825 HB THR 102 HB THR 102 0.593 8.690 -4.374 826 HG1 THR 102 HG1 THR 102 -0.487 7.970 -6.348 827 HG21 THR 102 HG21 THR 102 -1.748 7.077 -4.824 828 HG22 THR 102 HG22 THR 102 -1.702 7.700 -3.175 829 HG23 THR 102 HG23 THR 102 -0.343 6.769 -3.805 830 H ASN 103 H ASN 103 -3.243 10.570 -4.808 831 HA ASN 103 HA ASN 103 -2.527 13.114 -5.917 832 HB2 ASN 103 HB3 ASN 103 -2.653 12.686 -8.171 833 HB3 ASN 103 HB2 ASN 103 -1.958 11.162 -7.627 834 HD21 ASN 103 HD21 ASN 103 -3.284 9.327 -7.496 835 HD22 ASN 103 HD22 ASN 103 -4.770 9.227 -8.372 836 H GLU 104 H GLU 104 -4.150 14.233 -5.124 837 HA GLU 104 HA GLU 104 -6.605 14.575 -5.969 838 HB2 GLU 104 HB3 GLU 104 -6.547 12.047 -4.404 839 HB3 GLU 104 HB2 GLU 104 -7.956 13.082 -4.246 840 HG2 GLU 104 HG3 GLU 104 -7.352 11.219 -6.286 841 HG3 GLU 104 HG2 GLU 104 -8.779 12.238 -6.111 842 HHA HEC 201 HHA HEC 201 5.093 -5.184 0.501 843 HHB HEC 201 HHB HEC 201 -0.575 -2.485 0.330 844 HHC HEC 201 HHC HEC 201 -2.190 -6.132 5.222 845 HHD HEC 201 HHD HEC 201 4.016 -5.871 6.817 846 HMA1 HEC 201 HMA1 HEC 201 0.848 -1.171 -1.313 847 HMA2 HEC 201 HMA2 HEC 201 2.464 -0.257 -0.767 848 HMA3 HEC 201 HMA3 HEC 201 2.261 -1.608 -1.623 849 HAA1 HEC 201 HAA1 HEC 201 4.936 -3.028 -1.482 850 HAA2 HEC 201 HAA2 HEC 201 5.524 -2.387 0.060 851 HBA1 HEC 201 HBA1 HEC 201 4.058 -0.280 -0.319 852 HBA2 HEC 201 HBA2 HEC 201 3.790 -0.987 -1.990 853 HMB1 HEC 201 HMB1 HEC 201 -3.752 -1.979 2.028 854 HMB2 HEC 201 HMB2 HEC 201 -3.833 -3.266 0.807 855 HMB3 HEC 201 HMB3 HEC 201 -2.571 -2.010 0.695 856 HAB HEC 201 HAB HEC 201 -4.053 -3.305 4.535 857 HBB1 HEC 201 HBB1 HEC 201 -5.489 -5.282 2.752 858 HBB2 HEC 201 HBB2 HEC 201 -4.849 -3.788 2.039 859 HBB3 HEC 201 HBB3 HEC 201 -5.967 -3.703 3.429 860 HMC1 HEC 201 HMC1 HEC 201 -0.969 -7.598 8.566 861 HMC2 HEC 201 HMC2 HEC 201 -2.038 -7.728 6.971 862 HMC3 HEC 201 HMC3 HEC 201 -0.610 -8.360 7.313 863 HAC HEC 201 HAC HEC 201 2.957 -6.881 8.409 864 HBC1 HEC 201 HBC1 HEC 201 3.230 -9.268 7.852 865 HBC2 HEC 201 HBC2 HEC 201 1.578 -9.578 8.424 866 HBC3 HEC 201 HBC3 HEC 201 2.831 -9.028 9.571 867 HMD1 HEC 201 HMD1 HEC 201 5.945 -7.065 6.417 868 HMD2 HEC 201 HMD2 HEC 201 7.086 -5.767 6.010 869 HMD3 HEC 201 HMD3 HEC 201 7.185 -7.337 5.166 870 HAD1 HEC 201 HAD1 HEC 201 7.885 -6.352 3.185 871 HAD2 HEC 201 HAD2 HEC 201 7.474 -4.932 2.209 872 HBD1 HEC 201 HBD1 HEC 201 7.793 -7.598 1.331 873 HBD2 HEC 201 HBD2 HEC 201 7.249 -6.199 0.384 Start of MODEL 7 1 H1 GLY 1 1H GLY 1 -19.414 4.071 -0.415 2 H2 GLY 1 2H GLY 1 -18.806 3.545 -1.903 3 H3 GLY 1 3H GLY 1 -18.977 5.199 -1.598 4 HA2 GLY 1 HA2 GLY 1 -17.343 3.830 0.339 5 HA3 GLY 1 HA3 GLY 1 -16.692 3.792 -1.292 6 H ASP 2 H ASP 2 -16.580 5.357 1.555 7 HA ASP 2 HA ASP 2 -16.001 7.913 0.207 8 HB2 ASP 2 HB3 ASP 2 -16.614 7.590 3.198 9 HB3 ASP 2 HB2 ASP 2 -16.652 9.078 2.162 10 H VAL 3 H VAL 3 -14.232 9.181 1.080 11 HA VAL 3 HA VAL 3 -11.874 7.683 1.399 12 HB VAL 3 HB VAL 3 -12.567 10.567 1.534 13 HG11 VAL 3 HG11 VAL 3 -11.239 10.639 3.434 14 HG12 VAL 3 HG12 VAL 3 -10.083 10.958 2.140 15 HG13 VAL 3 HG13 VAL 3 -10.177 9.352 2.863 16 HG21 VAL 3 HG21 VAL 3 -11.813 10.291 -0.549 17 HG22 VAL 3 HG22 VAL 3 -11.088 8.728 -0.166 18 HG23 VAL 3 HG23 VAL 3 -10.201 10.217 0.162 19 H GLU 4 H GLU 4 -13.911 9.395 3.734 20 HA GLU 4 HA GLU 4 -12.277 9.101 6.033 21 HB2 GLU 4 HB3 GLU 4 -14.198 10.566 6.067 22 HB3 GLU 4 HB2 GLU 4 -15.289 9.211 5.818 23 HG2 GLU 4 HG3 GLU 4 -14.397 8.306 8.026 24 HG3 GLU 4 HG2 GLU 4 -13.709 9.910 8.266 25 H LYS 5 H LYS 5 -14.816 6.957 4.784 26 HA LYS 5 HA LYS 5 -14.639 5.036 6.843 27 HB2 LYS 5 HB3 LYS 5 -15.507 4.604 3.978 28 HB3 LYS 5 HB2 LYS 5 -15.888 3.616 5.370 29 HG2 LYS 5 HG3 LYS 5 -16.806 6.034 6.164 30 HG3 LYS 5 HG2 LYS 5 -17.155 6.036 4.432 31 HD2 LYS 5 HD3 LYS 5 -17.824 3.534 5.813 32 HD3 LYS 5 HD2 LYS 5 -18.756 4.937 6.342 33 HE2 LYS 5 HE3 LYS 5 -20.026 4.774 4.531 34 HE3 LYS 5 HE2 LYS 5 -18.607 5.016 3.515 35 HZ1 LYS 5 HZ1 LYS 5 -20.130 2.679 3.870 36 HZ2 LYS 5 HZ2 LYS 5 -18.553 2.380 4.401 37 HZ3 LYS 5 HZ3 LYS 5 -18.822 2.939 2.827 38 H GLY 6 H GLY 6 -12.967 5.405 3.763 39 HA2 GLY 6 HA3 GLY 6 -11.697 2.891 3.701 40 HA3 GLY 6 HA2 GLY 6 -11.133 4.342 2.886 41 H LYS 7 H LYS 7 -10.661 5.755 4.812 42 HA LYS 7 HA LYS 7 -8.011 5.141 5.465 43 HB2 LYS 7 HB3 LYS 7 -8.041 7.361 5.692 44 HB3 LYS 7 HB2 LYS 7 -9.797 7.373 5.771 45 HG2 LYS 7 HG3 LYS 7 -9.834 7.438 8.045 46 HG3 LYS 7 HG2 LYS 7 -8.313 6.560 8.206 47 HD2 LYS 7 HD3 LYS 7 -8.697 9.452 7.454 48 HD3 LYS 7 HD2 LYS 7 -7.930 8.810 8.908 49 HE2 LYS 7 HE3 LYS 7 -6.256 7.707 7.341 50 HE3 LYS 7 HE2 LYS 7 -6.920 8.742 6.079 51 HZ1 LYS 7 HZ1 LYS 7 -5.934 9.862 8.629 52 HZ2 LYS 7 HZ2 LYS 7 -6.174 10.653 7.154 53 HZ3 LYS 7 HZ3 LYS 7 -4.887 9.569 7.333 54 H LYS 8 H LYS 8 -10.853 4.977 7.597 55 HA LYS 8 HA LYS 8 -9.900 3.859 10.009 56 HB2 LYS 8 HB3 LYS 8 -12.037 4.602 10.302 57 HB3 LYS 8 HB2 LYS 8 -12.532 4.147 8.678 58 HG2 LYS 8 HG3 LYS 8 -11.926 1.942 10.547 59 HG3 LYS 8 HG2 LYS 8 -13.382 2.885 10.865 60 HD2 LYS 8 HD3 LYS 8 -14.292 2.366 8.740 61 HD3 LYS 8 HD2 LYS 8 -12.754 1.720 8.163 62 HE2 LYS 8 HE3 LYS 8 -14.000 0.469 10.555 63 HE3 LYS 8 HE2 LYS 8 -14.715 0.140 8.976 64 HZ1 LYS 8 HZ1 LYS 8 -11.834 -0.232 9.565 65 HZ2 LYS 8 HZ2 LYS 8 -12.684 -0.767 8.205 66 HZ3 LYS 8 HZ3 LYS 8 -12.977 -1.469 9.714 67 H ILE 9 H ILE 9 -11.001 2.423 6.978 68 HA ILE 9 HA ILE 9 -11.031 -0.258 7.807 69 HB ILE 9 HB ILE 9 -10.825 1.102 5.161 70 HG12 ILE 9 HG13 ILE 9 -12.670 -1.039 6.249 71 HG13 ILE 9 HG12 ILE 9 -13.007 0.690 6.268 72 HG21 ILE 9 HG21 ILE 9 -10.575 -1.937 5.388 73 HG22 ILE 9 HG22 ILE 9 -9.184 -0.812 5.180 74 HG23 ILE 9 HG23 ILE 9 -10.449 -0.900 3.955 75 HD11 ILE 9 HD11 ILE 9 -13.181 -1.303 4.044 76 HD12 ILE 9 HD12 ILE 9 -12.510 0.330 3.649 77 HD13 ILE 9 HD13 ILE 9 -14.112 0.210 4.377 78 H PHE 10 H PHE 10 -8.473 1.703 6.336 79 HA PHE 10 HA PHE 10 -6.529 -0.344 6.188 80 HB2 PHE 10 HB3 PHE 10 -5.938 1.430 4.856 81 HB3 PHE 10 HB2 PHE 10 -6.514 2.626 6.005 82 HD1 PHE 10 HD1 PHE 10 -3.678 1.371 4.514 83 HD2 PHE 10 HD2 PHE 10 -5.116 2.565 8.325 84 HE1 PHE 10 HE1 PHE 10 -1.372 1.761 5.275 85 HE2 PHE 10 HE2 PHE 10 -2.841 2.964 9.094 86 HZ PHE 10 HZ PHE 10 -0.950 2.559 7.567 87 H VAL 11 H VAL 11 -7.391 1.994 8.706 88 HA VAL 11 HA VAL 11 -5.223 1.820 10.389 89 HB VAL 11 HB VAL 11 -8.140 2.077 11.094 90 HG11 VAL 11 HG11 VAL 11 -5.691 2.261 12.825 91 HG12 VAL 11 HG12 VAL 11 -7.150 1.304 13.082 92 HG13 VAL 11 HG13 VAL 11 -7.206 3.059 13.250 93 HG21 VAL 11 HG21 VAL 11 -6.256 3.849 9.940 94 HG22 VAL 11 HG22 VAL 11 -6.590 4.415 11.577 95 HG23 VAL 11 HG23 VAL 11 -7.915 4.184 10.434 96 H GLN 12 H GLN 12 -8.094 -0.336 10.432 97 HA GLN 12 HA GLN 12 -6.791 -2.065 12.451 98 HB2 GLN 12 HB3 GLN 12 -9.131 -3.251 11.193 99 HB3 GLN 12 HB2 GLN 12 -8.874 -2.822 12.879 100 HG2 GLN 12 HG3 GLN 12 -9.259 -0.378 11.745 101 HG3 GLN 12 HG2 GLN 12 -10.315 -1.401 10.769 102 HE21 GLN 12 HE21 GLN 12 -12.070 -0.212 11.684 103 HE22 GLN 12 HE22 GLN 12 -12.663 -0.606 13.258 104 H LYS 13 H LYS 13 -7.870 -2.120 9.273 105 HA LYS 13 HA LYS 13 -7.373 -4.161 7.715 106 HB2 LYS 13 HB3 LYS 13 -6.946 -1.337 7.538 107 HB3 LYS 13 HB2 LYS 13 -5.450 -2.059 6.973 108 HG2 LYS 13 HG3 LYS 13 -8.116 -2.049 5.760 109 HG3 LYS 13 HG2 LYS 13 -6.523 -2.150 5.009 110 HD2 LYS 13 HD3 LYS 13 -6.447 -4.629 5.815 111 HD3 LYS 13 HD2 LYS 13 -8.161 -4.458 6.195 112 HE2 LYS 13 HE3 LYS 13 -6.896 -5.005 3.674 113 HE3 LYS 13 HE2 LYS 13 -8.606 -5.052 4.100 114 HZ1 LYS 13 HZ1 LYS 13 -8.785 -2.716 3.651 115 HZ2 LYS 13 HZ2 LYS 13 -8.098 -3.472 2.304 116 HZ3 LYS 13 HZ3 LYS 13 -7.124 -2.586 3.364 117 H CYS 14 H CYS 14 -4.600 -2.458 9.179 118 HA CYS 14 HA CYS 14 -2.874 -4.437 9.578 119 HB2 CYS 14 HB3 CYS 14 -1.542 -4.908 7.723 120 HB3 CYS 14 HB2 CYS 14 -3.196 -5.573 7.512 121 H ALA 15 H ALA 15 -3.490 -1.410 9.831 122 HA ALA 15 HA ALA 15 -1.374 -0.078 8.650 123 HB1 ALA 15 HB1 ALA 15 -2.608 0.764 11.259 124 HB2 ALA 15 HB2 ALA 15 -3.440 0.916 9.712 125 HB3 ALA 15 HB3 ALA 15 -1.931 1.787 9.993 126 H GLN 16 H GLN 16 -1.466 -1.877 11.639 127 HA GLN 16 HA GLN 16 0.864 -0.904 12.954 128 HB2 GLN 16 HB3 GLN 16 0.571 -3.843 13.000 129 HB3 GLN 16 HB2 GLN 16 0.652 -2.651 14.353 130 HG2 GLN 16 HG3 GLN 16 -1.819 -2.008 13.667 131 HG3 GLN 16 HG2 GLN 16 -1.824 -3.465 12.673 132 HE21 GLN 16 HE21 GLN 16 -0.548 -2.693 15.930 133 HE22 GLN 16 HE22 GLN 16 -1.467 -3.970 16.725 134 H CYS 17 H CYS 17 0.593 -3.149 10.183 135 HA CYS 17 HA CYS 17 3.389 -3.803 10.187 136 HB2 CYS 17 HB3 CYS 17 1.543 -4.148 7.837 137 HB3 CYS 17 HB2 CYS 17 2.938 -5.122 8.290 138 H HIS 18 H HIS 18 1.459 -1.249 8.960 139 HA HIS 18 HA HIS 18 3.665 -0.353 7.232 140 HB2 HIS 18 HB3 HIS 18 0.763 0.487 7.147 141 HB3 HIS 18 HB2 HIS 18 2.023 0.990 6.025 142 HD1 HIS 18 HD1 HIS 18 1.737 -0.183 3.877 143 HD2 HIS 18 HD2 HIS 18 0.796 -2.630 7.099 144 HE1 HIS 18 HE1 HIS 18 1.130 -2.408 2.876 145 H THR 19 H THR 19 3.225 -0.011 10.282 146 HA THR 19 HA THR 19 3.400 1.586 11.892 147 HB THR 19 HB THR 19 4.853 3.084 9.705 148 HG1 THR 19 HG1 THR 19 6.677 2.004 10.465 149 HG21 THR 19 HG21 THR 19 5.309 3.202 12.671 150 HG22 THR 19 HG22 THR 19 4.389 4.400 11.761 151 HG23 THR 19 HG23 THR 19 6.102 4.159 11.420 152 H VAL 20 H VAL 20 2.776 3.728 12.601 153 HA VAL 20 HA VAL 20 0.265 4.619 11.261 154 HB VAL 20 HB VAL 20 1.481 5.928 13.707 155 HG11 VAL 20 HG11 VAL 20 -0.761 6.607 12.380 156 HG12 VAL 20 HG12 VAL 20 -0.803 6.555 14.142 157 HG13 VAL 20 HG13 VAL 20 -1.472 5.220 13.204 158 HG21 VAL 20 HG21 VAL 20 0.376 4.255 15.115 159 HG22 VAL 20 HG22 VAL 20 1.676 3.495 14.060 160 HG23 VAL 20 HG23 VAL 20 -0.140 3.343 13.697 161 H GLU 21 H GLU 21 0.817 7.348 12.589 162 HA GLU 21 HA GLU 21 1.523 8.709 10.219 163 HB2 GLU 21 HB3 GLU 21 1.898 10.307 12.609 164 HB3 GLU 21 HB2 GLU 21 0.729 10.495 11.310 165 HG2 GLU 21 HG3 GLU 21 -0.715 8.843 12.379 166 HG3 GLU 21 HG2 GLU 21 0.454 8.661 13.682 167 H LYS 22 H LYS 22 3.464 9.816 9.651 168 HA LYS 22 HA LYS 22 5.919 8.672 10.173 169 HB2 LYS 22 HB3 LYS 22 5.226 10.326 8.319 170 HB3 LYS 22 HB2 LYS 22 5.651 11.585 9.470 171 HG2 LYS 22 HG3 LYS 22 7.459 9.486 8.302 172 HG3 LYS 22 HG2 LYS 22 7.520 11.231 8.046 173 HD2 LYS 22 HD3 LYS 22 8.044 9.780 10.639 174 HD3 LYS 22 HD2 LYS 22 9.252 10.547 9.606 175 HE2 LYS 22 HE3 LYS 22 8.318 12.717 10.031 176 HE3 LYS 22 HE2 LYS 22 6.959 12.010 10.903 177 HZ1 LYS 22 HZ1 LYS 22 9.455 12.779 11.912 178 HZ2 LYS 22 HZ2 LYS 22 9.323 11.100 12.088 179 HZ3 LYS 22 HZ3 LYS 22 8.145 12.114 12.752 180 H GLY 23 H GLY 23 7.155 8.630 11.901 181 HA2 GLY 23 HA3 GLY 23 8.311 10.488 13.374 182 HA3 GLY 23 HA2 GLY 23 6.689 10.550 14.055 183 H GLY 24 H GLY 24 6.228 7.687 13.693 184 HA2 GLY 24 HA3 GLY 24 7.415 6.808 16.167 185 HA3 GLY 24 HA2 GLY 24 6.305 5.893 15.156 186 H LYS 25 H LYS 25 7.236 4.008 14.691 187 HA LYS 25 HA LYS 25 10.089 4.003 13.958 188 HB2 LYS 25 HB3 LYS 25 8.926 1.380 14.431 189 HB3 LYS 25 HB2 LYS 25 10.353 2.120 15.144 190 HG2 LYS 25 HG3 LYS 25 9.229 2.872 16.967 191 HG3 LYS 25 HG2 LYS 25 7.714 3.075 16.087 192 HD2 LYS 25 HD3 LYS 25 8.929 0.463 16.984 193 HD3 LYS 25 HD2 LYS 25 7.520 1.259 17.689 194 HE2 LYS 25 HE3 LYS 25 6.192 0.278 16.206 195 HE3 LYS 25 HE2 LYS 25 7.114 0.986 14.879 196 HZ1 LYS 25 HZ1 LYS 25 7.152 -1.700 15.906 197 HZ2 LYS 25 HZ2 LYS 25 8.697 -1.047 15.690 198 HZ3 LYS 25 HZ3 LYS 25 7.620 -1.116 14.390 199 H HIS 26 H HIS 26 10.758 2.592 12.219 200 HA HIS 26 HA HIS 26 9.158 2.851 9.918 201 HB2 HIS 26 HB3 HIS 26 11.060 0.755 9.531 202 HB3 HIS 26 HB2 HIS 26 11.109 2.407 8.925 203 HD1 HIS 26 HD1 HIS 26 11.843 0.740 12.279 204 HD2 HIS 26 HD2 HIS 26 13.372 3.629 9.714 205 HE1 HIS 26 HE1 HIS 26 13.946 1.570 13.381 206 HE2 HIS 26 HE2 HIS 26 14.802 3.384 11.856 207 H LYS 27 H LYS 27 7.883 1.436 8.808 208 HA LYS 27 HA LYS 27 6.819 -0.786 10.340 209 HB2 LYS 27 HB3 LYS 27 4.960 -0.672 8.986 210 HB3 LYS 27 HB2 LYS 27 5.525 0.990 8.899 211 HG2 LYS 27 HG3 LYS 27 6.866 -0.285 6.838 212 HG3 LYS 27 HG2 LYS 27 5.243 -0.981 6.806 213 HD2 LYS 27 HD3 LYS 27 5.690 1.160 5.443 214 HD3 LYS 27 HD2 LYS 27 4.233 1.085 6.437 215 HE2 LYS 27 HE3 LYS 27 4.898 2.806 7.687 216 HE3 LYS 27 HE2 LYS 27 6.495 2.099 7.930 217 HZ1 LYS 27 HZ1 LYS 27 7.276 3.071 5.942 218 HZ2 LYS 27 HZ2 LYS 27 6.445 4.297 6.759 219 HZ3 LYS 27 HZ3 LYS 27 5.720 3.517 5.444 220 H THR 28 H THR 28 6.206 -2.791 8.963 221 HA THR 28 HA THR 28 8.628 -4.019 8.143 222 HB THR 28 HB THR 28 6.006 -5.216 7.389 223 HG1 THR 28 HG1 THR 28 6.833 -5.242 10.079 224 HG21 THR 28 HG21 THR 28 6.933 -7.326 7.929 225 HG22 THR 28 HG22 THR 28 8.139 -6.493 9.041 226 HG23 THR 28 HG23 THR 28 8.300 -6.442 7.248 227 H GLY 29 H GLY 29 5.860 -2.685 6.407 228 HA2 GLY 29 HA3 GLY 29 7.463 -2.821 3.937 229 HA3 GLY 29 HA2 GLY 29 5.794 -3.374 3.930 230 HA PRO 30 HA PRO 30 6.659 1.431 3.166 231 HB2 PRO 30 HB3 PRO 30 5.592 0.477 0.465 232 HB3 PRO 30 HB2 PRO 30 6.713 1.807 0.783 233 HG2 PRO 30 HG3 PRO 30 7.607 -0.547 -0.094 234 HG3 PRO 30 HG2 PRO 30 8.516 0.388 1.106 235 HD2 PRO 30 HD3 PRO 30 6.916 -2.130 1.531 236 HD3 PRO 30 HD2 PRO 30 8.312 -1.549 2.464 237 H ASN 31 H ASN 31 5.013 2.470 4.081 238 HA ASN 31 HA ASN 31 2.458 1.485 4.482 239 HB2 ASN 31 HB3 ASN 31 3.757 3.597 5.449 240 HB3 ASN 31 HB2 ASN 31 2.797 4.436 4.234 241 HD21 ASN 31 HD21 ASN 31 2.131 5.368 6.435 242 HD22 ASN 31 HD22 ASN 31 0.628 4.667 7.149 243 H LEU 32 H LEU 32 3.352 4.116 2.096 244 HA LEU 32 HA LEU 32 1.874 3.059 0.049 245 HB2 LEU 32 HB3 LEU 32 -0.023 4.568 -0.214 246 HB3 LEU 32 HB2 LEU 32 -0.059 3.608 1.255 247 HG LEU 32 HG LEU 32 -1.109 5.737 1.818 248 HD11 LEU 32 HD11 LEU 32 1.555 5.365 2.759 249 HD12 LEU 32 HD12 LEU 32 0.128 4.684 3.538 250 HD13 LEU 32 HD13 LEU 32 0.395 6.426 3.559 251 HD21 LEU 32 HD21 LEU 32 -0.336 7.699 1.056 252 HD22 LEU 32 HD22 LEU 32 0.334 6.623 -0.170 253 HD23 LEU 32 HD23 LEU 32 1.325 7.141 1.200 254 H HIS 33 H HIS 33 3.363 5.766 1.552 255 HA HIS 33 HA HIS 33 3.437 7.698 -0.395 256 HB2 HIS 33 HB3 HIS 33 4.757 7.233 2.022 257 HB3 HIS 33 HB2 HIS 33 6.048 7.413 0.840 258 HD1 HIS 33 HD1 HIS 33 6.695 9.677 1.985 259 HD2 HIS 33 HD2 HIS 33 2.906 9.603 0.279 260 HE1 HIS 33 HE1 HIS 33 5.964 12.080 1.867 261 HE2 HIS 33 HE2 HIS 33 3.635 12.003 0.912 262 H GLY 34 H GLY 34 4.173 7.785 -2.410 263 HA2 GLY 34 HA3 GLY 34 5.474 7.393 -4.269 264 HA3 GLY 34 HA2 GLY 34 6.644 6.607 -3.217 265 H LEU 35 H LEU 35 3.456 5.402 -3.001 266 HA LEU 35 HA LEU 35 4.174 2.805 -3.771 267 HB2 LEU 35 HB3 LEU 35 2.250 3.403 -2.312 268 HB3 LEU 35 HB2 LEU 35 1.405 4.007 -3.724 269 HG LEU 35 HG LEU 35 1.333 1.781 -4.689 270 HD11 LEU 35 HD11 LEU 35 2.480 -0.099 -3.999 271 HD12 LEU 35 HD12 LEU 35 2.372 0.464 -2.262 272 HD13 LEU 35 HD13 LEU 35 3.564 1.234 -3.308 273 HD21 LEU 35 HD21 LEU 35 0.255 2.155 -1.886 274 HD22 LEU 35 HD22 LEU 35 -0.035 0.649 -2.754 275 HD23 LEU 35 HD23 LEU 35 -0.653 2.169 -3.397 276 H PHE 36 H PHE 36 2.365 5.309 -5.527 277 HA PHE 36 HA PHE 36 2.718 3.739 -7.990 278 HB2 PHE 36 HB3 PHE 36 0.745 6.067 -7.918 279 HB3 PHE 36 HB2 PHE 36 0.611 4.538 -8.779 280 HD1 PHE 36 HD1 PHE 36 -0.446 2.547 -7.817 281 HD2 PHE 36 HD2 PHE 36 0.118 6.226 -5.557 282 HE1 PHE 36 HE1 PHE 36 -1.980 1.708 -6.087 283 HE2 PHE 36 HE2 PHE 36 -1.416 5.394 -3.823 284 HZ PHE 36 HZ PHE 36 -2.459 3.167 -4.069 285 H GLY 37 H GLY 37 4.459 5.835 -6.505 286 HA2 GLY 37 HA3 GLY 37 4.977 7.485 -8.902 287 HA3 GLY 37 HA2 GLY 37 5.106 8.131 -7.272 288 H ARG 38 H ARG 38 6.380 5.890 -6.080 289 HA ARG 38 HA ARG 38 9.076 6.335 -7.075 290 HB2 ARG 38 HB3 ARG 38 8.018 4.964 -4.601 291 HB3 ARG 38 HB2 ARG 38 9.727 5.064 -5.004 292 HG2 ARG 38 HG3 ARG 38 9.399 7.587 -5.069 293 HG3 ARG 38 HG2 ARG 38 7.850 7.286 -4.278 294 HD2 ARG 38 HD3 ARG 38 8.844 7.041 -2.306 295 HD3 ARG 38 HD2 ARG 38 9.930 5.816 -2.957 296 HE ARG 38 HE ARG 38 11.539 7.404 -2.706 297 HH11 ARG 38 HH11 ARG 38 8.606 8.970 -3.742 298 HH12 ARG 38 HH12 ARG 38 9.333 10.537 -3.866 299 HH21 ARG 38 HH21 ARG 38 12.507 9.464 -2.864 300 HH22 ARG 38 HH22 ARG 38 11.551 10.818 -3.366 301 H LYS 39 H LYS 39 10.587 4.385 -7.056 302 HA LYS 39 HA LYS 39 9.823 2.599 -9.026 303 HB2 LYS 39 HB3 LYS 39 12.170 3.063 -8.437 304 HB3 LYS 39 HB2 LYS 39 11.962 2.176 -6.934 305 HG2 LYS 39 HG3 LYS 39 12.926 1.127 -9.254 306 HG3 LYS 39 HG2 LYS 39 12.213 0.100 -7.975 307 HD2 LYS 39 HD3 LYS 39 11.234 -0.540 -10.116 308 HD3 LYS 39 HD2 LYS 39 10.023 0.197 -9.065 309 HE2 LYS 39 HE3 LYS 39 10.616 2.468 -10.233 310 HE3 LYS 39 HE2 LYS 39 11.372 1.351 -11.479 311 HZ1 LYS 39 HZ1 LYS 39 9.396 0.562 -12.214 312 HZ2 LYS 39 HZ2 LYS 39 8.842 2.053 -11.638 313 HZ3 LYS 39 HZ3 LYS 39 8.648 0.665 -10.690 314 H THR 40 H THR 40 10.954 0.986 -6.161 315 HA THR 40 HA THR 40 8.369 0.052 -5.351 316 HB THR 40 HB THR 40 8.874 -2.216 -5.124 317 HG1 THR 40 HG1 THR 40 10.354 -3.411 -6.028 318 HG21 THR 40 HG21 THR 40 8.552 -1.974 -7.875 319 HG22 THR 40 HG22 THR 40 8.838 -2.811 -6.664 320 HG23 THR 40 HG23 THR 40 7.447 -2.837 -6.361 321 H GLY 41 H GLY 41 8.312 0.502 -3.558 322 HA2 GLY 41 HA3 GLY 41 8.817 0.547 -1.319 323 HA3 GLY 41 HA2 GLY 41 9.476 -1.059 -1.585 324 H GLN 42 H GLN 42 10.684 1.952 -2.984 325 HA GLN 42 HA GLN 42 13.249 1.431 -1.661 326 HB2 GLN 42 HB3 GLN 42 13.732 3.462 -3.439 327 HB3 GLN 42 HB2 GLN 42 13.980 1.751 -3.759 328 HG2 GLN 42 HG3 GLN 42 12.733 2.914 -5.537 329 HG3 GLN 42 HG2 GLN 42 11.838 1.577 -4.818 330 HE21 GLN 42 HE21 GLN 42 9.774 2.084 -4.820 331 HE22 GLN 42 HE22 GLN 42 9.094 3.592 -4.322 332 H ALA 43 H ALA 43 11.329 2.488 -0.002 333 HA ALA 43 HA ALA 43 11.126 5.244 0.188 334 HB1 ALA 43 HB1 ALA 43 11.249 4.417 2.819 335 HB2 ALA 43 HB2 ALA 43 10.714 2.976 1.954 336 HB3 ALA 43 HB3 ALA 43 9.804 4.481 1.812 337 HA PRO 44 HA PRO 44 14.980 6.741 1.727 338 HB2 PRO 44 HB3 PRO 44 14.364 8.421 3.721 339 HB3 PRO 44 HB2 PRO 44 13.851 8.735 2.060 340 HG2 PRO 44 HG3 PRO 44 12.285 7.596 4.342 341 HG3 PRO 44 HG2 PRO 44 11.791 8.796 3.135 342 HD2 PRO 44 HD3 PRO 44 11.147 6.129 3.005 343 HD3 PRO 44 HD2 PRO 44 11.315 7.251 1.567 344 H GLY 45 H GLY 45 14.058 7.282 4.960 345 HA2 GLY 45 HA3 GLY 45 16.087 5.546 6.008 346 HA3 GLY 45 HA2 GLY 45 14.955 6.488 6.966 347 H PHE 46 H PHE 46 13.231 4.633 4.766 348 HA PHE 46 HA PHE 46 12.329 2.853 6.849 349 HB2 PHE 46 HB3 PHE 46 10.708 3.856 5.310 350 HB3 PHE 46 HB2 PHE 46 11.500 3.070 3.948 351 HD1 PHE 46 HD1 PHE 46 9.712 2.369 7.121 352 HD2 PHE 46 HD2 PHE 46 10.862 0.936 3.284 353 HE1 PHE 46 HE1 PHE 46 8.267 0.401 7.428 354 HE2 PHE 46 HE2 PHE 46 9.419 -1.034 3.583 355 HZ PHE 46 HZ PHE 46 8.120 -1.305 5.656 356 H THR 47 H THR 47 12.799 0.733 7.111 357 HA THR 47 HA THR 47 14.979 -0.354 5.575 358 HB THR 47 HB THR 47 14.054 -0.717 8.155 359 HG1 THR 47 HG1 THR 47 15.753 -2.235 8.253 360 HG21 THR 47 HG21 THR 47 13.726 -3.188 8.294 361 HG22 THR 47 HG22 THR 47 13.442 -3.183 6.554 362 HG23 THR 47 HG23 THR 47 12.363 -2.289 7.627 363 H TYR 48 H TYR 48 14.438 -0.898 3.550 364 HA TYR 48 HA TYR 48 11.929 -2.050 2.834 365 HB2 TYR 48 HB3 TYR 48 13.858 -2.527 0.750 366 HB3 TYR 48 HB2 TYR 48 12.587 -1.310 0.766 367 HD1 TYR 48 HD1 TYR 48 16.025 -1.905 2.153 368 HD2 TYR 48 HD2 TYR 48 13.195 0.919 0.607 369 HE1 TYR 48 HE1 TYR 48 17.742 -0.117 2.175 370 HE2 TYR 48 HE2 TYR 48 14.899 2.690 0.678 371 HH TYR 48 HH TYR 48 18.012 2.188 2.167 372 H THR 49 H THR 49 11.643 -4.162 1.754 373 HA THR 49 HA THR 49 12.923 -6.298 3.210 374 HB THR 49 HB THR 49 11.318 -7.746 2.145 375 HG1 THR 49 HG1 THR 49 9.869 -6.701 0.549 376 HG21 THR 49 HG21 THR 49 9.410 -5.586 2.294 377 HG22 THR 49 HG22 THR 49 10.521 -5.581 3.664 378 HG23 THR 49 HG23 THR 49 9.575 -7.024 3.301 379 H ASP 50 H ASP 50 13.588 -8.301 1.837 380 HA ASP 50 HA ASP 50 15.850 -7.649 0.375 381 HB2 ASP 50 HB3 ASP 50 15.891 -9.850 1.066 382 HB3 ASP 50 HB2 ASP 50 14.197 -10.117 0.665 383 H ALA 51 H ALA 51 12.538 -8.145 -0.686 384 HA ALA 51 HA ALA 51 13.103 -8.095 -3.532 385 HB1 ALA 51 HB1 ALA 51 10.980 -8.733 -3.632 386 HB2 ALA 51 HB2 ALA 51 10.455 -7.172 -3.003 387 HB3 ALA 51 HB3 ALA 51 10.839 -8.487 -1.891 388 H ASN 52 H ASN 52 12.009 -5.613 -1.232 389 HA ASN 52 HA ASN 52 11.686 -3.530 -3.082 390 HB2 ASN 52 HB3 ASN 52 12.420 -3.416 -0.150 391 HB3 ASN 52 HB2 ASN 52 11.934 -1.971 -1.084 392 HD21 ASN 52 HD21 ASN 52 10.133 -4.124 -2.540 393 HD22 ASN 52 HD22 ASN 52 8.734 -4.174 -1.528 394 H LYS 53 H LYS 53 14.492 -4.506 -1.152 395 HA LYS 53 HA LYS 53 16.227 -2.383 -1.878 396 HB2 LYS 53 HB3 LYS 53 18.042 -4.121 -1.371 397 HB3 LYS 53 HB2 LYS 53 16.892 -3.753 -0.061 398 HG2 LYS 53 HG3 LYS 53 15.752 -5.862 -0.499 399 HG3 LYS 53 HG2 LYS 53 16.691 -6.144 -1.967 400 HD2 LYS 53 HD3 LYS 53 17.845 -7.473 -0.507 401 HD3 LYS 53 HD2 LYS 53 18.720 -5.958 -0.286 402 HE2 LYS 53 HE3 LYS 53 18.213 -6.026 1.929 403 HE3 LYS 53 HE2 LYS 53 16.499 -5.937 1.523 404 HZ1 LYS 53 HZ1 LYS 53 18.019 -8.150 2.499 405 HZ2 LYS 53 HZ2 LYS 53 17.164 -8.551 1.095 406 HZ3 LYS 53 HZ3 LYS 53 16.341 -7.938 2.441 407 H ASN 54 H ASN 54 15.242 -5.364 -3.519 408 HA ASN 54 HA ASN 54 17.271 -5.261 -5.545 409 HB2 ASN 54 HB3 ASN 54 14.642 -6.762 -5.494 410 HB3 ASN 54 HB2 ASN 54 15.948 -7.024 -6.645 411 HD21 ASN 54 HD21 ASN 54 17.316 -6.243 -3.760 412 HD22 ASN 54 HD22 ASN 54 17.599 -7.829 -3.136 413 H LYS 55 H LYS 55 14.343 -3.647 -4.961 414 HA LYS 55 HA LYS 55 13.301 -1.969 -6.101 415 HB2 LYS 55 HB3 LYS 55 15.588 -2.442 -8.000 416 HB3 LYS 55 HB2 LYS 55 14.313 -1.285 -8.355 417 HG2 LYS 55 HG3 LYS 55 15.141 0.285 -6.911 418 HG3 LYS 55 HG2 LYS 55 15.485 -0.920 -5.669 419 HD2 LYS 55 HD3 LYS 55 17.175 -0.123 -8.025 420 HD3 LYS 55 HD2 LYS 55 17.584 -0.056 -6.309 421 HE2 LYS 55 HE3 LYS 55 17.191 -2.694 -6.453 422 HE3 LYS 55 HE2 LYS 55 17.477 -2.456 -8.177 423 HZ1 LYS 55 HZ1 LYS 55 19.563 -2.922 -7.290 424 HZ2 LYS 55 HZ2 LYS 55 19.321 -1.956 -5.923 425 HZ3 LYS 55 HZ3 LYS 55 19.565 -1.236 -7.434 426 H GLY 56 H GLY 56 11.867 -4.039 -6.148 427 HA2 GLY 56 HA3 GLY 56 11.435 -5.550 -8.429 428 HA3 GLY 56 HA2 GLY 56 10.188 -5.129 -7.266 429 H ILE 57 H ILE 57 8.601 -3.767 -7.878 430 HA ILE 57 HA ILE 57 9.070 -1.966 -10.097 431 HB ILE 57 HB ILE 57 7.930 -4.385 -10.669 432 HG12 ILE 57 HG13 ILE 57 8.790 -3.267 -12.444 433 HG13 ILE 57 HG12 ILE 57 7.085 -2.928 -12.725 434 HG21 ILE 57 HG21 ILE 57 5.852 -4.031 -9.649 435 HG22 ILE 57 HG22 ILE 57 5.587 -3.675 -11.355 436 HG23 ILE 57 HG23 ILE 57 5.778 -2.358 -10.199 437 HD11 ILE 57 HD11 ILE 57 7.306 -0.745 -12.200 438 HD12 ILE 57 HD12 ILE 57 8.964 -1.048 -12.721 439 HD13 ILE 57 HD13 ILE 57 8.564 -1.047 -11.001 440 H THR 58 H THR 58 7.074 -0.596 -10.540 441 HA THR 58 HA THR 58 6.208 0.489 -8.027 442 HB THR 58 HB THR 58 6.633 1.486 -10.616 443 HG1 THR 58 HG1 THR 58 6.116 3.568 -9.528 444 HG21 THR 58 HG21 THR 58 4.274 0.946 -11.133 445 HG22 THR 58 HG22 THR 58 4.636 2.671 -11.184 446 HG23 THR 58 HG23 THR 58 3.783 1.990 -9.798 447 H TRP 59 H TRP 59 4.560 -0.280 -6.988 448 HA TRP 59 HA TRP 59 2.598 -2.001 -8.092 449 HB2 TRP 59 HB3 TRP 59 1.935 -0.578 -5.585 450 HB3 TRP 59 HB2 TRP 59 1.927 -2.303 -5.940 451 HD1 TRP 59 HD1 TRP 59 4.389 0.604 -4.923 452 HE1 TRP 59 HE1 TRP 59 6.432 -0.552 -3.851 453 HE3 TRP 59 HE3 TRP 59 3.218 -4.414 -5.675 454 HZ2 TRP 59 HZ2 TRP 59 7.431 -3.148 -3.341 455 HZ3 TRP 59 HZ3 TRP 59 4.782 -6.124 -4.840 456 HH2 TRP 59 HH2 TRP 59 6.845 -5.497 -3.695 457 H LYS 60 H LYS 60 1.174 -1.344 -9.547 458 HA LYS 60 HA LYS 60 -0.148 1.353 -9.260 459 HB2 LYS 60 HB3 LYS 60 0.164 1.448 -11.481 460 HB3 LYS 60 HB2 LYS 60 0.868 -0.221 -11.509 461 HG2 LYS 60 HG3 LYS 60 -0.968 -0.539 -12.885 462 HG3 LYS 60 HG2 LYS 60 -1.883 -0.670 -11.382 463 HD2 LYS 60 HD3 LYS 60 -3.000 1.234 -11.768 464 HD3 LYS 60 HD2 LYS 60 -1.549 2.080 -12.312 465 HE2 LYS 60 HE3 LYS 60 -2.212 0.136 -14.267 466 HE3 LYS 60 HE2 LYS 60 -3.685 1.017 -13.864 467 HZ1 LYS 60 HZ1 LYS 60 -1.770 1.849 -15.592 468 HZ2 LYS 60 HZ2 LYS 60 -1.403 2.725 -14.194 469 HZ3 LYS 60 HZ3 LYS 60 -2.943 2.838 -14.881 470 H GLU 61 H GLU 61 -2.489 1.368 -10.078 471 HA GLU 61 HA GLU 61 -4.060 -0.126 -8.298 472 HB2 GLU 61 HB3 GLU 61 -4.458 2.046 -9.974 473 HB3 GLU 61 HB2 GLU 61 -5.520 0.813 -10.641 474 HG2 GLU 61 HG3 GLU 61 -5.795 0.830 -7.807 475 HG3 GLU 61 HG2 GLU 61 -5.953 2.479 -8.411 476 H GLU 62 H GLU 62 -3.862 -0.393 -11.854 477 HA GLU 62 HA GLU 62 -5.446 -2.707 -12.050 478 HB2 GLU 62 HB3 GLU 62 -4.970 -2.673 -14.299 479 HB3 GLU 62 HB2 GLU 62 -4.607 -1.008 -13.867 480 HG2 GLU 62 HG3 GLU 62 -2.220 -1.627 -13.669 481 HG3 GLU 62 HG2 GLU 62 -2.629 -3.245 -14.235 482 H THR 63 H THR 63 -1.931 -2.299 -11.843 483 HA THR 63 HA THR 63 -1.258 -5.011 -12.189 484 HB THR 63 HB THR 63 0.175 -2.603 -11.727 485 HG1 THR 63 HG1 THR 63 1.490 -3.664 -12.948 486 HG21 THR 63 HG21 THR 63 1.684 -2.918 -10.028 487 HG22 THR 63 HG22 THR 63 1.391 -4.656 -9.943 488 HG23 THR 63 HG23 THR 63 0.197 -3.528 -9.303 489 H LEU 64 H LEU 64 -2.361 -3.188 -9.453 490 HA LEU 64 HA LEU 64 -1.586 -5.064 -7.447 491 HB2 LEU 64 HB3 LEU 64 -3.066 -2.548 -7.602 492 HB3 LEU 64 HB2 LEU 64 -3.757 -3.660 -6.434 493 HG LEU 64 HG LEU 64 -0.913 -2.649 -6.465 494 HD11 LEU 64 HD11 LEU 64 -1.996 -0.889 -5.542 495 HD12 LEU 64 HD12 LEU 64 -1.898 -1.901 -4.100 496 HD13 LEU 64 HD13 LEU 64 -3.384 -1.859 -5.047 497 HD21 LEU 64 HD21 LEU 64 -0.600 -3.876 -4.415 498 HD22 LEU 64 HD22 LEU 64 -1.111 -4.989 -5.684 499 HD23 LEU 64 HD23 LEU 64 -2.265 -4.455 -4.464 500 H MET 65 H MET 65 -4.565 -4.618 -9.503 501 HA MET 65 HA MET 65 -6.354 -6.306 -8.158 502 HB2 MET 65 HB3 MET 65 -6.111 -5.533 -11.064 503 HB3 MET 65 HB2 MET 65 -7.415 -6.550 -10.467 504 HG2 MET 65 HG3 MET 65 -6.825 -3.695 -9.747 505 HG3 MET 65 HG2 MET 65 -8.238 -4.334 -10.586 506 HE1 MET 65 HE1 MET 65 -6.730 -3.193 -7.407 507 HE2 MET 65 HE2 MET 65 -6.271 -4.870 -7.108 508 HE3 MET 65 HE3 MET 65 -7.502 -4.099 -6.106 509 H GLU 66 H GLU 66 -3.827 -6.932 -10.640 510 HA GLU 66 HA GLU 66 -4.473 -9.733 -10.762 511 HB2 GLU 66 HB3 GLU 66 -2.252 -9.777 -12.084 512 HB3 GLU 66 HB2 GLU 66 -3.620 -8.917 -12.779 513 HG2 GLU 66 HG3 GLU 66 -2.710 -6.803 -12.060 514 HG3 GLU 66 HG2 GLU 66 -1.381 -7.623 -11.238 515 H TYR 67 H TYR 67 -2.061 -7.716 -9.200 516 HA TYR 67 HA TYR 67 -0.284 -9.750 -8.283 517 HB2 TYR 67 HB3 TYR 67 0.708 -7.714 -7.995 518 HB3 TYR 67 HB2 TYR 67 -0.808 -6.915 -7.596 519 HD1 TYR 67 HD1 TYR 67 2.111 -8.636 -6.284 520 HD2 TYR 67 HD2 TYR 67 -1.752 -6.996 -5.296 521 HE1 TYR 67 HE1 TYR 67 2.718 -8.681 -3.902 522 HE2 TYR 67 HE2 TYR 67 -1.154 -7.034 -2.910 523 HH TYR 67 HH TYR 67 0.736 -7.195 -1.418 524 H LEU 68 H LEU 68 -3.468 -8.730 -7.242 525 HA LEU 68 HA LEU 68 -3.410 -9.569 -4.563 526 HB2 LEU 68 HB3 LEU 68 -5.603 -9.242 -6.584 527 HB3 LEU 68 HB2 LEU 68 -5.947 -9.899 -4.995 528 HG LEU 68 HG LEU 68 -4.669 -7.205 -5.463 529 HD11 LEU 68 HD11 LEU 68 -6.792 -6.210 -5.056 530 HD12 LEU 68 HD12 LEU 68 -7.524 -7.774 -4.692 531 HD13 LEU 68 HD13 LEU 68 -7.007 -7.403 -6.337 532 HD21 LEU 68 HD21 LEU 68 -4.129 -8.159 -3.305 533 HD22 LEU 68 HD22 LEU 68 -5.505 -7.299 -2.619 534 HD23 LEU 68 HD23 LEU 68 -5.276 -6.836 -3.104 535 H GLU 69 H GLU 69 -3.324 -11.361 -7.478 536 HA GLU 69 HA GLU 69 -4.651 -13.721 -6.752 537 HB2 GLU 69 HB3 GLU 69 -3.291 -12.833 -8.972 538 HB3 GLU 69 HB2 GLU 69 -2.144 -14.133 -8.374 539 HG2 GLU 69 HG3 GLU 69 -4.095 -15.684 -8.440 540 HG3 GLU 69 HG2 GLU 69 -5.173 -14.404 -8.992 541 H ASN 70 H ASN 70 -1.029 -13.640 -7.096 542 HA ASN 70 HA ASN 70 -0.833 -15.206 -4.492 543 HB2 ASN 70 HB3 ASN 70 0.562 -15.489 -7.217 544 HB3 ASN 70 HB2 ASN 70 1.388 -16.006 -5.651 545 HD21 ASN 70 HD21 ASN 70 -0.959 -16.788 -8.048 546 HD22 ASN 70 HD22 ASN 70 -1.492 -18.312 -7.242 547 HA PRO 71 HA PRO 71 1.192 -11.182 -3.524 548 HB2 PRO 71 HB3 PRO 71 1.196 -12.636 -0.920 549 HB3 PRO 71 HB2 PRO 71 0.767 -10.957 -1.271 550 HG2 PRO 71 HG3 PRO 71 -1.125 -12.768 -0.800 551 HG3 PRO 71 HG2 PRO 71 -1.348 -11.516 -2.037 552 HD2 PRO 71 HD3 PRO 71 -0.722 -14.415 -2.361 553 HD3 PRO 71 HD2 PRO 71 -1.708 -13.350 -3.385 554 H LYS 72 H LYS 72 2.131 -14.485 -2.738 555 HA LYS 72 HA LYS 72 4.854 -13.777 -2.130 556 HB2 LYS 72 HB3 LYS 72 4.853 -15.789 -1.168 557 HB3 LYS 72 HB2 LYS 72 3.199 -16.020 -1.718 558 HG2 LYS 72 HG3 LYS 72 4.191 -17.869 -2.609 559 HG3 LYS 72 HG2 LYS 72 4.382 -16.738 -3.949 560 HD2 LYS 72 HD3 LYS 72 6.586 -16.445 -2.156 561 HD3 LYS 72 HD2 LYS 72 6.392 -18.153 -2.559 562 HE2 LYS 72 HE3 LYS 72 6.048 -16.708 -4.959 563 HE3 LYS 72 HE2 LYS 72 7.451 -16.018 -4.154 564 HZ1 LYS 72 HZ1 LYS 72 8.428 -18.211 -3.994 565 HZ2 LYS 72 HZ2 LYS 72 8.051 -17.866 -5.607 566 HZ3 LYS 72 HZ3 LYS 72 7.066 -18.910 -4.714 567 H LYS 73 H LYS 73 3.044 -14.619 -4.940 568 HA LYS 73 HA LYS 73 5.202 -15.544 -6.592 569 HB2 LYS 73 HB3 LYS 73 3.681 -15.651 -8.328 570 HB3 LYS 73 HB2 LYS 73 2.614 -15.748 -6.945 571 HG2 LYS 73 HG3 LYS 73 1.485 -14.153 -8.049 572 HG3 LYS 73 HG2 LYS 73 2.663 -13.083 -7.285 573 HD2 LYS 73 HD3 LYS 73 2.275 -12.828 -9.807 574 HD3 LYS 73 HD2 LYS 73 3.944 -12.912 -9.236 575 HE2 LYS 73 HE3 LYS 73 3.406 -14.294 -11.267 576 HE3 LYS 73 HE2 LYS 73 4.170 -15.160 -9.934 577 HZ1 LYS 73 HZ1 LYS 73 1.836 -15.791 -9.251 578 HZ2 LYS 73 HZ2 LYS 73 2.429 -16.528 -10.655 579 HZ3 LYS 73 HZ3 LYS 73 1.333 -15.244 -10.772 580 H TYR 74 H TYR 74 3.942 -12.380 -5.831 581 HA TYR 74 HA TYR 74 5.431 -11.054 -7.917 582 HB2 TYR 74 HB3 TYR 74 3.504 -10.258 -5.817 583 HB3 TYR 74 HB2 TYR 74 4.690 -9.047 -6.271 584 HD1 TYR 74 HD1 TYR 74 2.181 -11.355 -7.753 585 HD2 TYR 74 HD2 TYR 74 4.327 -7.704 -8.139 586 HE1 TYR 74 HE1 TYR 74 0.829 -10.776 -9.725 587 HE2 TYR 74 HE2 TYR 74 2.982 -7.113 -10.111 588 HH TYR 74 HH TYR 74 0.732 -9.383 -11.546 589 H ILE 75 H ILE 75 5.690 -11.420 -4.422 590 HA ILE 75 HA ILE 75 8.517 -10.637 -4.624 591 HB ILE 75 HB ILE 75 6.504 -9.694 -2.513 592 HG12 ILE 75 HG13 ILE 75 6.571 -8.140 -4.379 593 HG13 ILE 75 HG12 ILE 75 7.754 -7.462 -3.264 594 HG21 ILE 75 HG21 ILE 75 8.526 -8.628 -1.414 595 HG22 ILE 75 HG22 ILE 75 9.502 -9.770 -2.337 596 HG23 ILE 75 HG23 ILE 75 8.320 -10.361 -1.170 597 HD11 ILE 75 HD11 ILE 75 9.058 -7.366 -5.072 598 HD12 ILE 75 HD12 ILE 75 8.105 -8.565 -5.948 599 HD13 ILE 75 HD13 ILE 75 9.315 -9.085 -4.774 600 HA PRO 76 HA PRO 76 8.022 -14.851 -2.547 601 HB2 PRO 76 HB3 PRO 76 10.718 -15.076 -3.765 602 HB3 PRO 76 HB2 PRO 76 9.367 -16.214 -3.817 603 HG2 PRO 76 HG3 PRO 76 10.030 -14.719 -6.049 604 HG3 PRO 76 HG2 PRO 76 8.335 -15.057 -5.652 605 HD2 PRO 76 HD3 PRO 76 9.917 -12.553 -5.242 606 HD3 PRO 76 HD2 PRO 76 8.224 -12.749 -5.744 607 H GLY 77 H GLY 77 8.675 -15.271 -0.527 608 HA2 GLY 77 HA3 GLY 77 10.431 -15.478 1.112 609 HA3 GLY 77 HA2 GLY 77 11.197 -14.065 0.403 610 H THR 78 H THR 78 8.328 -12.900 0.289 611 HA THR 78 HA THR 78 8.434 -11.816 3.012 612 HB THR 78 HB THR 78 8.240 -10.548 0.579 613 HG1 THR 78 HG1 THR 78 7.274 -9.525 3.038 614 HG21 THR 78 HG21 THR 78 5.803 -11.340 0.554 615 HG22 THR 78 HG22 THR 78 6.136 -9.636 0.248 616 HG23 THR 78 HG23 THR 78 5.555 -10.150 1.831 617 H LYS 79 H LYS 79 6.925 -12.277 4.468 618 HA LYS 79 HA LYS 79 4.514 -13.699 3.566 619 HB2 LYS 79 HB3 LYS 79 6.243 -14.704 5.252 620 HB3 LYS 79 HB2 LYS 79 5.443 -13.656 6.416 621 HG2 LYS 79 HG3 LYS 79 4.662 -16.110 6.141 622 HG3 LYS 79 HG2 LYS 79 3.465 -14.825 6.321 623 HD2 LYS 79 HD3 LYS 79 2.925 -16.449 4.526 624 HD3 LYS 79 HD2 LYS 79 3.061 -14.791 3.953 625 HE2 LYS 79 HE3 LYS 79 4.163 -16.446 2.466 626 HE3 LYS 79 HE2 LYS 79 5.257 -15.208 3.080 627 HZ1 LYS 79 HZ1 LYS 79 6.167 -17.499 3.145 628 HZ2 LYS 79 HZ2 LYS 79 4.980 -17.910 4.277 629 HZ3 LYS 79 HZ3 LYS 79 6.140 -16.739 4.657 630 H MET 80 H MET 80 2.498 -13.003 4.144 631 HA MET 80 HA MET 80 2.375 -10.351 5.407 632 HB2 MET 80 HB3 MET 80 0.683 -11.751 3.377 633 HB3 MET 80 HB2 MET 80 -0.050 -10.515 4.391 634 HG2 MET 80 HG3 MET 80 2.463 -9.985 2.853 635 HG3 MET 80 HG2 MET 80 0.873 -9.824 2.111 636 HE1 MET 80 HE1 MET 80 -0.416 -8.224 2.055 637 HE2 MET 80 HE2 MET 80 0.140 -6.574 2.337 638 HE3 MET 80 HE3 MET 80 -0.965 -7.339 3.479 639 H ILE 81 H ILE 81 2.065 -10.540 7.384 640 HA ILE 81 HA ILE 81 0.422 -12.585 8.713 641 HB ILE 81 HB ILE 81 2.510 -10.743 9.881 642 HG12 ILE 81 HG13 ILE 81 3.428 -13.204 10.389 643 HG13 ILE 81 HG12 ILE 81 2.516 -13.562 8.927 644 HG21 ILE 81 HG21 ILE 81 1.487 -13.015 11.450 645 HG22 ILE 81 HG22 ILE 81 0.363 -11.675 11.216 646 HG23 ILE 81 HG23 ILE 81 1.934 -11.388 11.962 647 HD11 ILE 81 HD11 ILE 81 4.568 -13.093 8.052 648 HD12 ILE 81 HD12 ILE 81 4.944 -11.893 9.290 649 HD13 ILE 81 HD13 ILE 81 3.822 -11.495 7.988 650 H PHE 82 H PHE 82 -1.440 -12.034 9.650 651 HA PHE 82 HA PHE 82 -3.091 -10.726 10.779 652 HB2 PHE 82 HB3 PHE 82 -0.909 -9.267 11.351 653 HB3 PHE 82 HB2 PHE 82 -1.633 -8.200 10.080 654 HD1 PHE 82 HD1 PHE 82 -2.251 -9.588 13.414 655 HD2 PHE 82 HD2 PHE 82 -3.649 -6.936 10.393 656 HE1 PHE 82 HE1 PHE 82 -3.795 -8.576 15.030 657 HE2 PHE 82 HE2 PHE 82 -5.190 -5.828 12.046 658 HZ PHE 82 HZ PHE 82 -5.269 -6.646 14.368 659 H ALA 83 H ALA 83 -4.757 -9.079 10.166 660 HA ALA 83 HA ALA 83 -5.286 -7.626 8.094 661 HB1 ALA 83 HB1 ALA 83 -6.000 -9.403 6.263 662 HB2 ALA 83 HB2 ALA 83 -4.711 -10.335 7.024 663 HB3 ALA 83 HB3 ALA 83 -4.364 -8.748 6.338 664 H GLY 84 H GLY 84 -6.991 -7.210 9.530 665 HA2 GLY 84 HA3 GLY 84 -9.006 -9.208 10.033 666 HA3 GLY 84 HA2 GLY 84 -9.049 -7.529 10.550 667 H ILE 85 H ILE 85 -8.388 -7.952 7.245 668 HA ILE 85 HA ILE 85 -11.221 -7.607 6.535 669 HB ILE 85 HB ILE 85 -8.929 -5.971 5.450 670 HG12 ILE 85 HG13 ILE 85 -10.468 -5.581 7.738 671 HG13 ILE 85 HG12 ILE 85 -9.495 -4.367 6.914 672 HG21 ILE 85 HG21 ILE 85 -11.850 -5.918 4.707 673 HG22 ILE 85 HG22 ILE 85 -10.542 -6.553 3.708 674 HG23 ILE 85 HG23 ILE 85 -10.604 -4.832 4.093 675 HD11 ILE 85 HD11 ILE 85 -11.620 -4.057 5.450 676 HD12 ILE 85 HD12 ILE 85 -11.533 -3.328 7.053 677 HD13 ILE 85 HD13 ILE 85 -12.434 -4.825 6.812 678 H LYS 86 H LYS 86 -11.837 -8.401 4.523 679 HA LYS 86 HA LYS 86 -9.835 -9.635 2.808 680 HB2 LYS 86 HB3 LYS 86 -11.450 -11.745 2.853 681 HB3 LYS 86 HB2 LYS 86 -10.110 -11.580 3.979 682 HG2 LYS 86 HG3 LYS 86 -12.386 -10.300 5.104 683 HG3 LYS 86 HG2 LYS 86 -12.857 -11.907 4.550 684 HD2 LYS 86 HD3 LYS 86 -11.391 -12.974 5.977 685 HD3 LYS 86 HD2 LYS 86 -10.324 -11.576 6.095 686 HE2 LYS 86 HE3 LYS 86 -12.432 -10.481 7.226 687 HE3 LYS 86 HE2 LYS 86 -12.862 -12.163 7.541 688 HZ1 LYS 86 HZ1 LYS 86 -10.189 -11.117 8.236 689 HZ2 LYS 86 HZ2 LYS 86 -10.984 -12.479 8.849 690 HZ3 LYS 86 HZ3 LYS 86 -11.500 -10.927 9.289 691 H LYS 87 H LYS 87 -13.236 -8.969 3.476 692 HA LYS 87 HA LYS 87 -14.567 -9.553 1.237 693 HB2 LYS 87 HB3 LYS 87 -14.891 -7.695 3.310 694 HB3 LYS 87 HB2 LYS 87 -15.083 -6.772 1.825 695 HG2 LYS 87 HG3 LYS 87 -17.170 -7.498 1.705 696 HG3 LYS 87 HG2 LYS 87 -16.550 -9.132 1.463 697 HD2 LYS 87 HD3 LYS 87 -16.384 -9.283 3.994 698 HD3 LYS 87 HD2 LYS 87 -17.349 -7.806 4.042 699 HE2 LYS 87 HE3 LYS 87 -18.666 -9.915 4.260 700 HE3 LYS 87 HE2 LYS 87 -19.176 -8.874 2.942 701 HZ1 LYS 87 HZ1 LYS 87 -18.885 -11.399 2.549 702 HZ2 LYS 87 HZ2 LYS 87 -17.228 -11.030 2.436 703 HZ3 LYS 87 HZ3 LYS 87 -18.341 -10.310 1.375 704 H LYS 88 H LYS 88 -14.091 -9.396 -0.849 705 HA LYS 88 HA LYS 88 -12.045 -7.961 -1.991 706 HB2 LYS 88 HB3 LYS 88 -13.200 -9.753 -3.166 707 HB3 LYS 88 HB2 LYS 88 -14.665 -8.783 -3.253 708 HG2 LYS 88 HG3 LYS 88 -13.663 -7.221 -4.867 709 HG3 LYS 88 HG2 LYS 88 -12.057 -7.908 -4.607 710 HD2 LYS 88 HD3 LYS 88 -14.267 -8.844 -6.313 711 HD3 LYS 88 HD2 LYS 88 -12.524 -9.034 -6.507 712 HE2 LYS 88 HE3 LYS 88 -13.480 -11.201 -6.160 713 HE3 LYS 88 HE2 LYS 88 -12.588 -10.799 -4.622 714 HZ1 LYS 88 HZ1 LYS 88 -15.226 -11.596 -4.765 715 HZ2 LYS 88 HZ2 LYS 88 -15.278 -9.942 -4.413 716 HZ3 LYS 88 HZ3 LYS 88 -14.414 -10.991 -3.409 717 H THR 89 H THR 89 -15.368 -6.954 -1.416 718 HA THR 89 HA THR 89 -15.201 -4.471 -2.944 719 HB THR 89 HB THR 89 -17.349 -4.088 -2.086 720 HG1 THR 89 HG1 THR 89 -17.243 -3.889 0.038 721 HG21 THR 89 HG21 THR 89 -17.222 -7.026 -1.481 722 HG22 THR 89 HG22 THR 89 -17.273 -6.359 -3.114 723 HG23 THR 89 HG23 THR 89 -18.619 -6.088 -2.007 724 H GLU 90 H GLU 90 -14.302 -5.414 0.366 725 HA GLU 90 HA GLU 90 -14.076 -2.760 1.413 726 HB2 GLU 90 HB3 GLU 90 -12.826 -5.313 2.444 727 HB3 GLU 90 HB2 GLU 90 -13.030 -3.816 3.342 728 HG2 GLU 90 HG3 GLU 90 -15.489 -4.972 2.214 729 HG3 GLU 90 HG2 GLU 90 -14.711 -5.907 3.490 730 H ARG 91 H ARG 91 -11.791 -5.192 0.244 731 HA ARG 91 HA ARG 91 -9.437 -3.706 0.631 732 HB2 ARG 91 HB3 ARG 91 -9.952 -5.929 -1.288 733 HB3 ARG 91 HB2 ARG 91 -8.412 -5.087 -1.167 734 HG2 ARG 91 HG3 ARG 91 -8.846 -5.700 1.427 735 HG3 ARG 91 HG2 ARG 91 -9.639 -7.069 0.624 736 HD2 ARG 91 HD3 ARG 91 -7.002 -6.876 -0.665 737 HD3 ARG 91 HD2 ARG 91 -6.894 -6.597 1.071 738 HE ARG 91 HE ARG 91 -8.214 -8.721 1.116 739 HH11 ARG 91 HH11 ARG 91 -5.833 -7.779 -1.244 740 HH12 ARG 91 HH12 ARG 91 -5.293 -9.329 -1.516 741 HH21 ARG 91 HH21 ARG 91 -7.529 -10.861 0.720 742 HH22 ARG 91 HH22 ARG 91 -6.272 -11.162 -0.418 743 H GLU 92 H GLU 92 -11.468 -4.145 -2.320 744 HA GLU 92 HA GLU 92 -9.990 -2.484 -4.011 745 HB2 GLU 92 HB3 GLU 92 -11.838 -4.082 -4.662 746 HB3 GLU 92 HB2 GLU 92 -12.983 -2.860 -4.123 747 HG2 GLU 92 HG3 GLU 92 -12.737 -2.730 -6.503 748 HG3 GLU 92 HG2 GLU 92 -12.034 -1.291 -5.767 749 H ASP 93 H ASP 93 -12.610 -1.746 -1.759 750 HA ASP 93 HA ASP 93 -13.070 0.909 -2.507 751 HB2 ASP 93 HB3 ASP 93 -14.634 -0.082 -1.030 752 HB3 ASP 93 HB2 ASP 93 -13.386 -0.566 0.171 753 H GLY 94 H GLY 94 -10.835 -0.466 -0.045 754 HA2 GLY 94 HA3 GLY 94 -9.776 2.012 0.910 755 HA3 GLY 94 HA2 GLY 94 -8.939 0.467 0.947 756 H ILE 95 H ILE 95 -8.952 0.032 -1.976 757 HA ILE 95 HA ILE 95 -6.548 1.298 -2.660 758 HB ILE 95 HB ILE 95 -8.522 -0.396 -4.069 759 HG12 ILE 95 HG13 ILE 95 -5.525 -0.371 -3.727 760 HG13 ILE 95 HG12 ILE 95 -6.685 -1.434 -2.933 761 HG21 ILE 95 HG21 ILE 95 -8.377 0.666 -6.020 762 HG22 ILE 95 HG22 ILE 95 -6.692 0.152 -6.067 763 HG23 ILE 95 HG23 ILE 95 -7.111 1.741 -5.428 764 HD11 ILE 95 HD11 ILE 95 -6.352 -1.414 -5.906 765 HD12 ILE 95 HD12 ILE 95 -7.063 -2.656 -4.875 766 HD13 ILE 95 HD13 ILE 95 -5.322 -2.383 -4.851 767 H ALA 96 H ALA 96 -9.910 2.086 -3.436 768 HA ALA 96 HA ALA 96 -9.422 4.102 -5.338 769 HB1 ALA 96 HB1 ALA 96 -11.683 3.223 -4.923 770 HB2 ALA 96 HB2 ALA 96 -11.634 4.990 -4.656 771 HB3 ALA 96 HB3 ALA 96 -11.648 3.928 -3.258 772 H TYR 97 H TYR 97 -9.719 4.360 -1.787 773 HA TYR 97 HA TYR 97 -9.303 7.130 -1.575 774 HB2 TYR 97 HB3 TYR 97 -10.128 6.003 0.348 775 HB3 TYR 97 HB2 TYR 97 -8.807 4.842 0.331 776 HD1 TYR 97 HD1 TYR 97 -7.873 5.111 2.517 777 HD2 TYR 97 HD2 TYR 97 -8.573 8.537 0.006 778 HE1 TYR 97 HE1 TYR 97 -6.623 6.510 4.105 779 HE2 TYR 97 HE2 TYR 97 -7.324 9.946 1.587 780 HH TYR 97 HH TYR 97 -5.515 8.586 4.228 781 H LEU 98 H LEU 98 -7.107 4.402 -1.768 782 HA LEU 98 HA LEU 98 -4.707 5.744 -1.175 783 HB2 LEU 98 HB3 LEU 98 -5.475 3.153 -1.844 784 HB3 LEU 98 HB2 LEU 98 -4.415 3.634 -3.152 785 HG LEU 98 HG LEU 98 -3.639 3.830 -0.246 786 HD11 LEU 98 HD11 LEU 98 -2.165 1.790 -1.348 787 HD12 LEU 98 HD12 LEU 98 -3.774 1.520 -2.019 788 HD13 LEU 98 HD13 LEU 98 -3.549 1.599 -0.272 789 HD21 LEU 98 HD21 LEU 98 -2.135 4.053 -2.834 790 HD22 LEU 98 HD22 LEU 98 -1.344 3.837 -1.282 791 HD23 LEU 98 HD23 LEU 98 -2.317 5.277 -1.582 792 H LYS 99 H LYS 99 -6.551 5.376 -4.138 793 HA LYS 99 HA LYS 99 -4.640 6.234 -5.984 794 HB2 LYS 99 HB3 LYS 99 -7.594 6.828 -6.161 795 HB3 LYS 99 HB2 LYS 99 -6.456 6.627 -7.488 796 HG2 LYS 99 HG3 LYS 99 -7.404 4.484 -5.599 797 HG3 LYS 99 HG2 LYS 99 -7.854 4.676 -7.294 798 HD2 LYS 99 HD3 LYS 99 -6.097 2.876 -6.569 799 HD3 LYS 99 HD2 LYS 99 -5.228 4.571 -7.621 800 HE2 LYS 99 HE3 LYS 99 -4.036 3.838 -5.896 801 HE3 LYS 99 HE2 LYS 99 -5.474 3.985 -4.887 802 HZ1 LYS 99 HZ1 LYS 99 -4.142 1.604 -5.652 803 HZ2 LYS 99 HZ2 LYS 99 -5.655 1.559 -6.403 804 HZ3 LYS 99 HZ3 LYS 99 -5.551 1.742 -4.726 805 H LYS 100 H LYS 100 -6.957 8.047 -4.054 806 HA LYS 100 HA LYS 100 -6.116 10.562 -5.153 807 HB2 LYS 100 HB3 LYS 100 -8.177 11.011 -4.382 808 HB3 LYS 100 HB2 LYS 100 -8.164 9.605 -3.329 809 HG2 LYS 100 HG3 LYS 100 -6.841 10.907 -1.686 810 HG3 LYS 100 HG2 LYS 100 -7.022 12.321 -2.725 811 HD2 LYS 100 HD3 LYS 100 -9.190 10.786 -1.305 812 HD3 LYS 100 HD2 LYS 100 -8.701 12.460 -1.040 813 HE2 LYS 100 HE3 LYS 100 -9.773 11.495 -3.676 814 HE3 LYS 100 HE2 LYS 100 -10.827 12.072 -2.387 815 HZ1 LYS 100 HZ1 LYS 100 -9.389 13.577 -4.264 816 HZ2 LYS 100 HZ2 LYS 100 -8.787 13.945 -2.727 817 HZ3 LYS 100 HZ3 LYS 100 -10.436 14.130 -3.055 818 H ALA 101 H ALA 101 -5.488 8.736 -2.303 819 HA ALA 101 HA ALA 101 -4.116 10.565 -0.737 820 HB1 ALA 101 HB1 ALA 101 -3.341 7.677 -0.794 821 HB2 ALA 101 HB2 ALA 101 -4.926 8.168 -0.199 822 HB3 ALA 101 HB3 ALA 101 -3.464 8.774 0.582 823 H THR 102 H THR 102 -3.127 8.819 -3.550 824 HA THR 102 HA THR 102 -0.352 9.705 -3.158 825 HB THR 102 HB THR 102 -0.282 7.438 -3.769 826 HG1 THR 102 HG1 THR 102 0.854 7.595 -5.532 827 HG21 THR 102 HG21 THR 102 -2.775 8.004 -5.159 828 HG22 THR 102 HG22 THR 102 -2.189 6.508 -4.433 829 HG23 THR 102 HG23 THR 102 -1.684 6.955 -6.063 830 H ASN 103 H ASN 103 -3.331 10.299 -4.844 831 HA ASN 103 HA ASN 103 -2.330 12.717 -6.008 832 HB2 ASN 103 HB3 ASN 103 -3.711 11.022 -8.022 833 HB3 ASN 103 HB2 ASN 103 -2.472 12.252 -8.248 834 HD21 ASN 103 HD21 ASN 103 -3.061 8.938 -7.277 835 HD22 ASN 103 HD22 ASN 103 -1.463 8.362 -7.586 836 H GLU 104 H GLU 104 -3.818 14.034 -5.246 837 HA GLU 104 HA GLU 104 -6.244 14.574 -6.133 838 HB2 GLU 104 HB3 GLU 104 -6.410 12.193 -4.359 839 HB3 GLU 104 HB2 GLU 104 -7.697 13.383 -4.260 840 HG2 GLU 104 HG3 GLU 104 -7.031 12.645 -6.995 841 HG3 GLU 104 HG2 GLU 104 -7.580 11.285 -6.016 842 HHA HEC 201 HHA HEC 201 5.075 -5.121 0.590 843 HHB HEC 201 HHB HEC 201 -0.513 -2.431 0.406 844 HHC HEC 201 HHC HEC 201 -2.148 -6.087 5.286 845 HHD HEC 201 HHD HEC 201 3.975 -5.819 6.901 846 HMA1 HEC 201 HMA1 HEC 201 0.832 -1.134 -1.160 847 HMA2 HEC 201 HMA2 HEC 201 2.434 -0.293 -0.641 848 HMA3 HEC 201 HMA3 HEC 201 2.247 -1.563 -1.462 849 HAA1 HEC 201 HAA1 HEC 201 4.918 -2.995 -1.318 850 HAA2 HEC 201 HAA2 HEC 201 5.501 -2.357 0.228 851 HBA1 HEC 201 HBA1 HEC 201 4.026 -0.319 -0.188 852 HBA2 HEC 201 HBA2 HEC 201 3.766 -0.950 -1.827 853 HMB1 HEC 201 HMB1 HEC 201 -3.694 -1.926 2.093 854 HMB2 HEC 201 HMB2 HEC 201 -3.772 -3.210 0.870 855 HMB3 HEC 201 HMB3 HEC 201 -2.509 -1.955 0.764 856 HAB HEC 201 HAB HEC 201 -4.006 -3.256 4.598 857 HBB1 HEC 201 HBB1 HEC 201 -5.438 -5.228 2.806 858 HBB2 HEC 201 HBB2 HEC 201 -4.794 -3.733 2.097 859 HBB3 HEC 201 HBB3 HEC 201 -5.916 -3.651 3.484 860 HMC1 HEC 201 HMC1 HEC 201 -1.018 -7.543 8.630 861 HMC2 HEC 201 HMC2 HEC 201 -2.002 -7.684 7.032 862 HMC3 HEC 201 HMC3 HEC 201 -0.655 -8.303 7.377 863 HAC HEC 201 HAC HEC 201 2.909 -6.829 8.384 864 HBC1 HEC 201 HBC1 HEC 201 3.182 -9.217 7.827 865 HBC2 HEC 201 HBC2 HEC 201 1.530 -9.526 8.399 866 HBC3 HEC 201 HBC3 HEC 201 2.783 -8.976 9.546 867 HMD1 HEC 201 HMD1 HEC 201 5.904 -7.013 6.505 868 HMD2 HEC 201 HMD2 HEC 201 7.047 -5.716 6.105 869 HMD3 HEC 201 HMD3 HEC 201 7.148 -7.285 5.258 870 HAD1 HEC 201 HAD1 HEC 201 7.856 -6.296 3.283 871 HAD2 HEC 201 HAD2 HEC 201 7.449 -4.874 2.308 872 HBD1 HEC 201 HBD1 HEC 201 7.769 -7.539 1.426 873 HBD2 HEC 201 HBD2 HEC 201 7.230 -6.138 0.479 Start of MODEL 8 1 H1 GLY 1 1H GLY 1 -19.429 4.051 -0.410 2 H2 GLY 1 2H GLY 1 -18.822 3.525 -1.897 3 H3 GLY 1 3H GLY 1 -18.992 5.179 -1.594 4 HA2 GLY 1 HA2 GLY 1 -17.358 3.810 0.343 5 HA3 GLY 1 HA3 GLY 1 -16.707 3.771 -1.289 6 H ASP 2 H ASP 2 -16.570 5.301 1.554 7 HA ASP 2 HA ASP 2 -15.992 7.847 0.223 8 HB2 ASP 2 HB3 ASP 2 -16.593 7.569 3.124 9 HB3 ASP 2 HB2 ASP 2 -16.640 9.018 2.168 10 H VAL 3 H VAL 3 -14.222 9.116 1.093 11 HA VAL 3 HA VAL 3 -11.865 7.617 1.411 12 HB VAL 3 HB VAL 3 -12.556 10.502 1.545 13 HG11 VAL 3 HG11 VAL 3 -11.226 10.575 3.444 14 HG12 VAL 3 HG12 VAL 3 -10.072 10.892 2.149 15 HG13 VAL 3 HG13 VAL 3 -10.166 9.286 2.873 16 HG21 VAL 3 HG21 VAL 3 -11.804 10.224 -0.538 17 HG22 VAL 3 HG22 VAL 3 -11.080 8.661 -0.155 18 HG23 VAL 3 HG23 VAL 3 -10.191 10.150 0.172 19 H GLU 4 H GLU 4 -13.897 9.339 3.729 20 HA GLU 4 HA GLU 4 -12.254 9.079 5.957 21 HB2 GLU 4 HB3 GLU 4 -14.173 10.546 5.989 22 HB3 GLU 4 HB2 GLU 4 -15.266 9.191 5.741 23 HG2 GLU 4 HG3 GLU 4 -14.372 8.287 7.949 24 HG3 GLU 4 HG2 GLU 4 -13.683 9.891 8.188 25 H LYS 5 H LYS 5 -14.794 6.936 4.709 26 HA LYS 5 HA LYS 5 -14.616 5.017 6.769 27 HB2 LYS 5 HB3 LYS 5 -15.486 4.582 3.905 28 HB3 LYS 5 HB2 LYS 5 -15.874 3.560 5.281 29 HG2 LYS 5 HG3 LYS 5 -16.783 6.015 6.090 30 HG3 LYS 5 HG2 LYS 5 -17.134 6.015 4.360 31 HD2 LYS 5 HD3 LYS 5 -17.802 3.515 5.743 32 HD3 LYS 5 HD2 LYS 5 -18.734 4.919 6.271 33 HE2 LYS 5 HE3 LYS 5 -20.005 4.755 4.461 34 HE3 LYS 5 HE2 LYS 5 -18.586 4.996 3.444 35 HZ1 LYS 5 HZ1 LYS 5 -20.111 2.659 3.801 36 HZ2 LYS 5 HZ2 LYS 5 -18.533 2.360 4.331 37 HZ3 LYS 5 HZ3 LYS 5 -18.803 2.918 2.758 38 H GLY 6 H GLY 6 -12.946 5.383 3.687 39 HA2 GLY 6 HA3 GLY 6 -11.677 2.869 3.626 40 HA3 GLY 6 HA2 GLY 6 -11.114 4.318 2.810 41 H LYS 7 H LYS 7 -10.662 5.961 5.001 42 HA LYS 7 HA LYS 7 -8.069 5.243 5.655 43 HB2 LYS 7 HB3 LYS 7 -8.478 7.511 5.873 44 HB3 LYS 7 HB2 LYS 7 -9.994 7.260 6.730 45 HG2 LYS 7 HG3 LYS 7 -7.836 6.209 8.286 46 HG3 LYS 7 HG2 LYS 7 -7.475 7.871 7.809 47 HD2 LYS 7 HD3 LYS 7 -10.151 7.931 8.549 48 HD3 LYS 7 HD2 LYS 7 -9.394 6.870 9.738 49 HE2 LYS 7 HE3 LYS 7 -8.886 8.788 10.790 50 HE3 LYS 7 HE2 LYS 7 -7.580 8.879 9.609 51 HZ1 LYS 7 HZ1 LYS 7 -8.505 10.899 9.273 52 HZ2 LYS 7 HZ2 LYS 7 -10.050 10.419 9.768 53 HZ3 LYS 7 HZ3 LYS 7 -9.498 10.023 8.219 54 H LYS 8 H LYS 8 -10.829 4.956 7.520 55 HA LYS 8 HA LYS 8 -9.875 3.840 9.932 56 HB2 LYS 8 HB3 LYS 8 -12.012 4.583 10.226 57 HB3 LYS 8 HB2 LYS 8 -12.508 4.128 8.603 58 HG2 LYS 8 HG3 LYS 8 -11.902 1.923 10.473 59 HG3 LYS 8 HG2 LYS 8 -13.357 2.868 10.791 60 HD2 LYS 8 HD3 LYS 8 -14.268 2.348 8.667 61 HD3 LYS 8 HD2 LYS 8 -12.731 1.700 8.090 62 HE2 LYS 8 HE3 LYS 8 -13.977 0.452 10.484 63 HE3 LYS 8 HE2 LYS 8 -14.691 0.122 8.905 64 HZ1 LYS 8 HZ1 LYS 8 -11.810 -0.251 9.493 65 HZ2 LYS 8 HZ2 LYS 8 -12.662 -0.786 8.133 66 HZ3 LYS 8 HZ3 LYS 8 -12.954 -1.488 9.643 67 H ILE 9 H ILE 9 -10.979 2.403 6.903 68 HA ILE 9 HA ILE 9 -11.010 -0.279 7.733 69 HB ILE 9 HB ILE 9 -10.805 1.080 5.087 70 HG12 ILE 9 HG13 ILE 9 -12.650 -1.060 6.177 71 HG13 ILE 9 HG12 ILE 9 -12.985 0.669 6.195 72 HG21 ILE 9 HG21 ILE 9 -10.540 -1.870 5.358 73 HG22 ILE 9 HG22 ILE 9 -9.164 -0.834 5.106 74 HG23 ILE 9 HG23 ILE 9 -10.431 -0.923 3.881 75 HD11 ILE 9 HD11 ILE 9 -13.146 -1.236 4.016 76 HD12 ILE 9 HD12 ILE 9 -12.491 0.308 3.576 77 HD13 ILE 9 HD13 ILE 9 -14.092 0.189 4.306 78 H PHE 10 H PHE 10 -8.451 1.681 6.260 79 HA PHE 10 HA PHE 10 -6.509 -0.367 6.112 80 HB2 PHE 10 HB3 PHE 10 -5.918 1.406 4.778 81 HB3 PHE 10 HB2 PHE 10 -6.503 2.605 5.926 82 HD1 PHE 10 HD1 PHE 10 -3.659 1.346 4.434 83 HD2 PHE 10 HD2 PHE 10 -5.123 2.549 8.245 84 HE1 PHE 10 HE1 PHE 10 -1.351 1.736 5.193 85 HE2 PHE 10 HE2 PHE 10 -2.817 2.942 9.012 86 HZ PHE 10 HZ PHE 10 -0.928 2.535 7.484 87 H VAL 11 H VAL 11 -7.350 1.960 8.602 88 HA VAL 11 HA VAL 11 -5.179 1.791 10.274 89 HB VAL 11 HB VAL 11 -8.097 2.045 10.991 90 HG11 VAL 11 HG11 VAL 11 -5.647 2.229 12.719 91 HG12 VAL 11 HG12 VAL 11 -7.106 1.272 12.978 92 HG13 VAL 11 HG13 VAL 11 -7.160 3.027 13.145 93 HG21 VAL 11 HG21 VAL 11 -6.213 3.816 9.834 94 HG22 VAL 11 HG22 VAL 11 -6.546 4.382 11.471 95 HG23 VAL 11 HG23 VAL 11 -7.871 4.151 10.329 96 H GLN 12 H GLN 12 -8.043 -0.375 10.317 97 HA GLN 12 HA GLN 12 -6.739 -2.104 12.336 98 HB2 GLN 12 HB3 GLN 12 -9.079 -3.275 11.120 99 HB3 GLN 12 HB2 GLN 12 -8.825 -2.872 12.793 100 HG2 GLN 12 HG3 GLN 12 -9.202 -0.390 11.643 101 HG3 GLN 12 HG2 GLN 12 -10.259 -1.413 10.669 102 HE21 GLN 12 HE21 GLN 12 -12.021 -0.262 11.600 103 HE22 GLN 12 HE22 GLN 12 -12.640 -0.645 13.142 104 H LYS 13 H LYS 13 -7.825 -2.177 9.195 105 HA LYS 13 HA LYS 13 -7.332 -4.067 7.697 106 HB2 LYS 13 HB3 LYS 13 -6.893 -1.352 7.436 107 HB3 LYS 13 HB2 LYS 13 -5.400 -2.088 6.897 108 HG2 LYS 13 HG3 LYS 13 -8.098 -2.086 5.645 109 HG3 LYS 13 HG2 LYS 13 -6.473 -2.171 4.938 110 HD2 LYS 13 HD3 LYS 13 -6.410 -4.550 5.757 111 HD3 LYS 13 HD2 LYS 13 -8.123 -4.379 6.138 112 HE2 LYS 13 HE3 LYS 13 -6.856 -4.901 3.629 113 HE3 LYS 13 HE2 LYS 13 -8.540 -4.980 4.044 114 HZ1 LYS 13 HZ1 LYS 13 -8.746 -2.624 3.634 115 HZ2 LYS 13 HZ2 LYS 13 -8.062 -3.396 2.246 116 HZ3 LYS 13 HZ3 LYS 13 -7.053 -2.489 3.319 117 H CYS 14 H CYS 14 -4.596 -2.467 9.128 118 HA CYS 14 HA CYS 14 -2.872 -4.447 9.527 119 HB2 CYS 14 HB3 CYS 14 -1.513 -4.866 7.639 120 HB3 CYS 14 HB2 CYS 14 -3.185 -5.530 7.487 121 H ALA 15 H ALA 15 -3.469 -1.446 9.712 122 HA ALA 15 HA ALA 15 -1.325 -0.122 8.530 123 HB1 ALA 15 HB1 ALA 15 -2.556 0.723 11.139 124 HB2 ALA 15 HB2 ALA 15 -3.389 0.874 9.593 125 HB3 ALA 15 HB3 ALA 15 -1.880 1.744 9.871 126 H GLN 16 H GLN 16 -1.414 -1.918 11.520 127 HA GLN 16 HA GLN 16 0.764 -0.888 12.842 128 HB2 GLN 16 HB3 GLN 16 0.471 -3.826 12.890 129 HB3 GLN 16 HB2 GLN 16 0.545 -2.678 14.221 130 HG2 GLN 16 HG3 GLN 16 -1.766 -2.048 13.549 131 HG3 GLN 16 HG2 GLN 16 -1.773 -3.505 12.555 132 HE21 GLN 16 HE21 GLN 16 -0.651 -2.701 15.808 133 HE22 GLN 16 HE22 GLN 16 -1.445 -4.015 16.633 134 H CYS 17 H CYS 17 0.538 -3.147 10.128 135 HA CYS 17 HA CYS 17 3.339 -3.776 10.143 136 HB2 CYS 17 HB3 CYS 17 1.520 -4.128 7.795 137 HB3 CYS 17 HB2 CYS 17 2.910 -5.128 8.235 138 H HIS 18 H HIS 18 1.409 -1.222 8.916 139 HA HIS 18 HA HIS 18 3.614 -0.328 7.185 140 HB2 HIS 18 HB3 HIS 18 0.704 0.474 7.116 141 HB3 HIS 18 HB2 HIS 18 1.998 0.997 6.006 142 HD1 HIS 18 HD1 HIS 18 1.675 -0.198 3.846 143 HD2 HIS 18 HD2 HIS 18 0.772 -2.613 7.088 144 HE1 HIS 18 HE1 HIS 18 1.096 -2.429 2.848 145 H THR 19 H THR 19 3.119 -0.024 10.154 146 HA THR 19 HA THR 19 3.293 1.561 11.791 147 HB THR 19 HB THR 19 4.782 3.090 9.588 148 HG1 THR 19 HG1 THR 19 6.569 1.977 10.361 149 HG21 THR 19 HG21 THR 19 5.182 3.171 12.540 150 HG22 THR 19 HG22 THR 19 4.267 4.396 11.642 151 HG23 THR 19 HG23 THR 19 6.004 4.121 11.288 152 H VAL 20 H VAL 20 2.657 3.738 12.457 153 HA VAL 20 HA VAL 20 0.337 4.563 11.111 154 HB VAL 20 HB VAL 20 1.356 5.899 13.577 155 HG11 VAL 20 HG11 VAL 20 -0.687 6.553 12.228 156 HG12 VAL 20 HG12 VAL 20 -0.727 6.516 14.030 157 HG13 VAL 20 HG13 VAL 20 -1.426 5.187 13.093 158 HG21 VAL 20 HG21 VAL 20 0.451 4.202 14.964 159 HG22 VAL 20 HG22 VAL 20 1.551 3.466 13.932 160 HG23 VAL 20 HG23 VAL 20 -0.067 3.290 13.547 161 H GLU 21 H GLU 21 1.337 7.234 12.458 162 HA GLU 21 HA GLU 21 1.554 8.648 10.091 163 HB2 GLU 21 HB3 GLU 21 1.921 10.249 12.479 164 HB3 GLU 21 HB2 GLU 21 0.776 10.459 11.194 165 HG2 GLU 21 HG3 GLU 21 -0.637 8.807 12.234 166 HG3 GLU 21 HG2 GLU 21 0.500 8.613 13.528 167 H LYS 22 H LYS 22 3.370 9.791 9.490 168 HA LYS 22 HA LYS 22 5.795 8.652 10.011 169 HB2 LYS 22 HB3 LYS 22 5.100 10.301 8.166 170 HB3 LYS 22 HB2 LYS 22 5.562 11.585 9.320 171 HG2 LYS 22 HG3 LYS 22 7.360 9.446 8.165 172 HG3 LYS 22 HG2 LYS 22 7.396 11.209 7.881 173 HD2 LYS 22 HD3 LYS 22 7.926 9.786 10.487 174 HD3 LYS 22 HD2 LYS 22 9.160 10.534 9.480 175 HE2 LYS 22 HE3 LYS 22 8.196 12.696 9.864 176 HE3 LYS 22 HE2 LYS 22 6.867 11.985 10.739 177 HZ1 LYS 22 HZ1 LYS 22 9.366 12.767 11.785 178 HZ2 LYS 22 HZ2 LYS 22 9.233 11.089 11.962 179 HZ3 LYS 22 HZ3 LYS 22 8.030 12.121 12.598 180 H GLY 23 H GLY 23 7.059 8.593 11.766 181 HA2 GLY 23 HA3 GLY 23 8.220 10.463 13.209 182 HA3 GLY 23 HA2 GLY 23 6.573 10.555 13.935 183 H GLY 24 H GLY 24 6.136 7.663 13.531 184 HA2 GLY 24 HA3 GLY 24 7.302 6.827 16.022 185 HA3 GLY 24 HA2 GLY 24 6.219 5.897 15.009 186 H LYS 25 H LYS 25 7.119 4.017 14.544 187 HA LYS 25 HA LYS 25 10.002 4.014 13.813 188 HB2 LYS 25 HB3 LYS 25 8.832 1.356 14.272 189 HB3 LYS 25 HB2 LYS 25 10.232 2.116 15.022 190 HG2 LYS 25 HG3 LYS 25 9.110 2.869 16.846 191 HG3 LYS 25 HG2 LYS 25 7.603 3.056 15.928 192 HD2 LYS 25 HD3 LYS 25 8.827 0.442 16.825 193 HD3 LYS 25 HD2 LYS 25 7.434 1.264 17.543 194 HE2 LYS 25 HE3 LYS 25 6.072 0.276 16.089 195 HE3 LYS 25 HE2 LYS 25 7.020 0.963 14.722 196 HZ1 LYS 25 HZ1 LYS 25 7.055 -1.735 15.778 197 HZ2 LYS 25 HZ2 LYS 25 8.608 -1.044 15.546 198 HZ3 LYS 25 HZ3 LYS 25 7.496 -1.134 14.233 199 H HIS 26 H HIS 26 10.691 2.612 12.137 200 HA HIS 26 HA HIS 26 9.087 2.858 9.865 201 HB2 HIS 26 HB3 HIS 26 10.987 0.760 9.477 202 HB3 HIS 26 HB2 HIS 26 11.064 2.393 8.832 203 HD1 HIS 26 HD1 HIS 26 11.806 0.763 12.203 204 HD2 HIS 26 HD2 HIS 26 13.328 3.614 9.617 205 HE1 HIS 26 HE1 HIS 26 13.876 1.578 13.324 206 HE2 HIS 26 HE2 HIS 26 14.730 3.376 11.758 207 H LYS 27 H LYS 27 7.755 1.414 8.649 208 HA LYS 27 HA LYS 27 6.691 -0.810 10.192 209 HB2 LYS 27 HB3 LYS 27 4.834 -0.679 8.870 210 HB3 LYS 27 HB2 LYS 27 5.434 0.949 8.770 211 HG2 LYS 27 HG3 LYS 27 6.763 -0.326 6.709 212 HG3 LYS 27 HG2 LYS 27 5.120 -0.967 6.667 213 HD2 LYS 27 HD3 LYS 27 5.564 1.163 5.299 214 HD3 LYS 27 HD2 LYS 27 4.101 1.051 6.308 215 HE2 LYS 27 HE3 LYS 27 4.775 2.811 7.543 216 HE3 LYS 27 HE2 LYS 27 6.397 2.072 7.772 217 HZ1 LYS 27 HZ1 LYS 27 7.178 3.056 5.823 218 HZ2 LYS 27 HZ2 LYS 27 6.319 4.288 6.640 219 HZ3 LYS 27 HZ3 LYS 27 5.591 3.494 5.285 220 H THR 28 H THR 28 6.107 -2.817 8.808 221 HA THR 28 HA THR 28 8.503 -4.015 8.000 222 HB THR 28 HB THR 28 5.872 -5.251 7.263 223 HG1 THR 28 HG1 THR 28 6.701 -5.275 9.952 224 HG21 THR 28 HG21 THR 28 6.830 -7.197 7.849 225 HG22 THR 28 HG22 THR 28 8.050 -6.508 8.928 226 HG23 THR 28 HG23 THR 28 8.222 -6.332 7.195 227 H GLY 29 H GLY 29 5.764 -2.686 6.265 228 HA2 GLY 29 HA3 GLY 29 7.359 -2.851 3.782 229 HA3 GLY 29 HA2 GLY 29 5.661 -3.398 3.776 230 HA PRO 30 HA PRO 30 6.532 1.432 3.021 231 HB2 PRO 30 HB3 PRO 30 5.472 0.388 0.503 232 HB3 PRO 30 HB2 PRO 30 6.560 1.698 0.805 233 HG2 PRO 30 HG3 PRO 30 7.489 -0.624 -0.085 234 HG3 PRO 30 HG2 PRO 30 8.365 0.290 1.101 235 HD2 PRO 30 HD3 PRO 30 6.810 -2.166 1.384 236 HD3 PRO 30 HD2 PRO 30 8.208 -1.580 2.307 237 H ASN 31 H ASN 31 4.917 2.468 3.938 238 HA ASN 31 HA ASN 31 2.353 1.444 4.355 239 HB2 ASN 31 HB3 ASN 31 3.657 3.569 5.292 240 HB3 ASN 31 HB2 ASN 31 2.702 4.435 4.090 241 HD21 ASN 31 HD21 ASN 31 2.002 5.343 6.287 242 HD22 ASN 31 HD22 ASN 31 0.702 4.635 7.011 243 H LEU 32 H LEU 32 3.228 3.993 2.116 244 HA LEU 32 HA LEU 32 1.722 2.951 0.074 245 HB2 LEU 32 HB3 LEU 32 -0.175 4.460 -0.189 246 HB3 LEU 32 HB2 LEU 32 -0.211 3.500 1.280 247 HG LEU 32 HG LEU 32 -1.261 5.629 1.843 248 HD11 LEU 32 HD11 LEU 32 1.403 5.257 2.784 249 HD12 LEU 32 HD12 LEU 32 -0.024 4.576 3.563 250 HD13 LEU 32 HD13 LEU 32 0.243 6.318 3.584 251 HD21 LEU 32 HD21 LEU 32 -0.488 7.591 1.081 252 HD22 LEU 32 HD22 LEU 32 0.182 6.515 -0.145 253 HD23 LEU 32 HD23 LEU 32 1.173 7.033 1.225 254 H HIS 33 H HIS 33 3.246 5.679 1.588 255 HA HIS 33 HA HIS 33 3.290 7.616 -0.361 256 HB2 HIS 33 HB3 HIS 33 4.615 7.163 2.028 257 HB3 HIS 33 HB2 HIS 33 5.926 7.298 0.860 258 HD1 HIS 33 HD1 HIS 33 6.580 9.589 2.016 259 HD2 HIS 33 HD2 HIS 33 2.755 9.495 0.299 260 HE1 HIS 33 HE1 HIS 33 5.850 11.992 1.897 261 HE2 HIS 33 HE2 HIS 33 3.518 11.901 0.903 262 H GLY 34 H GLY 34 4.022 7.687 -2.417 263 HA2 GLY 34 HA3 GLY 34 5.322 7.292 -4.277 264 HA3 GLY 34 HA2 GLY 34 6.494 6.521 -3.185 265 H LEU 35 H LEU 35 3.339 5.324 -2.992 266 HA LEU 35 HA LEU 35 4.026 2.736 -3.771 267 HB2 LEU 35 HB3 LEU 35 2.124 3.287 -2.287 268 HB3 LEU 35 HB2 LEU 35 1.279 3.894 -3.707 269 HG LEU 35 HG LEU 35 1.175 1.670 -4.662 270 HD11 LEU 35 HD11 LEU 35 2.354 -0.033 -3.886 271 HD12 LEU 35 HD12 LEU 35 2.215 0.354 -2.235 272 HD13 LEU 35 HD13 LEU 35 3.410 1.135 -3.310 273 HD21 LEU 35 HD21 LEU 35 0.269 2.026 -1.882 274 HD22 LEU 35 HD22 LEU 35 0.005 0.501 -2.721 275 HD23 LEU 35 HD23 LEU 35 -0.608 2.047 -3.352 276 H PHE 36 H PHE 36 2.211 5.209 -5.531 277 HA PHE 36 HA PHE 36 2.588 3.619 -7.965 278 HB2 PHE 36 HB3 PHE 36 0.785 5.924 -7.885 279 HB3 PHE 36 HB2 PHE 36 0.623 4.418 -8.737 280 HD1 PHE 36 HD1 PHE 36 -0.405 2.588 -7.696 281 HD2 PHE 36 HD2 PHE 36 0.131 6.095 -5.556 282 HE1 PHE 36 HE1 PHE 36 -1.912 1.722 -6.008 283 HE2 PHE 36 HE2 PHE 36 -1.397 5.291 -3.808 284 HZ PHE 36 HZ PHE 36 -2.413 3.054 -4.019 285 H GLY 37 H GLY 37 4.331 5.716 -6.483 286 HA2 GLY 37 HA3 GLY 37 4.818 7.369 -8.882 287 HA3 GLY 37 HA2 GLY 37 4.977 8.006 -7.243 288 H ARG 38 H ARG 38 6.255 5.783 -6.087 289 HA ARG 38 HA ARG 38 8.956 6.252 -7.071 290 HB2 ARG 38 HB3 ARG 38 7.891 4.845 -4.581 291 HB3 ARG 38 HB2 ARG 38 9.578 4.988 -5.000 292 HG2 ARG 38 HG3 ARG 38 9.243 7.472 -5.053 293 HG3 ARG 38 HG2 ARG 38 7.703 7.211 -4.275 294 HD2 ARG 38 HD3 ARG 38 8.690 6.929 -2.289 295 HD3 ARG 38 HD2 ARG 38 9.805 5.696 -2.939 296 HE ARG 38 HE ARG 38 11.422 7.323 -2.705 297 HH11 ARG 38 HH11 ARG 38 8.461 8.900 -3.749 298 HH12 ARG 38 HH12 ARG 38 9.184 10.450 -3.839 299 HH21 ARG 38 HH21 ARG 38 12.391 9.383 -2.865 300 HH22 ARG 38 HH22 ARG 38 11.402 10.730 -3.340 301 H LYS 39 H LYS 39 10.462 4.289 -7.025 302 HA LYS 39 HA LYS 39 9.691 2.476 -9.006 303 HB2 LYS 39 HB3 LYS 39 12.039 2.939 -8.419 304 HB3 LYS 39 HB2 LYS 39 11.841 2.101 -6.925 305 HG2 LYS 39 HG3 LYS 39 12.767 1.020 -9.263 306 HG3 LYS 39 HG2 LYS 39 12.085 0.160 -7.870 307 HD2 LYS 39 HD3 LYS 39 11.133 -0.487 -10.009 308 HD3 LYS 39 HD2 LYS 39 9.896 0.264 -8.999 309 HE2 LYS 39 HE3 LYS 39 10.458 2.376 -10.201 310 HE3 LYS 39 HE2 LYS 39 11.241 1.409 -11.374 311 HZ1 LYS 39 HZ1 LYS 39 9.293 0.610 -12.098 312 HZ2 LYS 39 HZ2 LYS 39 8.710 2.097 -11.571 313 HZ3 LYS 39 HZ3 LYS 39 8.515 0.711 -10.623 314 H THR 40 H THR 40 10.788 0.884 -6.168 315 HA THR 40 HA THR 40 8.239 -0.007 -5.330 316 HB THR 40 HB THR 40 8.744 -2.338 -5.043 317 HG1 THR 40 HG1 THR 40 10.224 -3.533 -5.947 318 HG21 THR 40 HG21 THR 40 8.422 -2.096 -7.794 319 HG22 THR 40 HG22 THR 40 8.708 -2.933 -6.583 320 HG23 THR 40 HG23 THR 40 7.317 -2.951 -6.280 321 H GLY 41 H GLY 41 8.162 0.428 -3.551 322 HA2 GLY 41 HA3 GLY 41 8.669 0.474 -1.312 323 HA3 GLY 41 HA2 GLY 41 9.319 -1.171 -1.563 324 H GLN 42 H GLN 42 10.537 1.887 -2.975 325 HA GLN 42 HA GLN 42 13.125 1.320 -1.638 326 HB2 GLN 42 HB3 GLN 42 13.605 3.341 -3.422 327 HB3 GLN 42 HB2 GLN 42 13.860 1.668 -3.756 328 HG2 GLN 42 HG3 GLN 42 12.605 2.792 -5.520 329 HG3 GLN 42 HG2 GLN 42 11.680 1.461 -4.800 330 HE21 GLN 42 HE21 GLN 42 9.616 1.969 -4.800 331 HE22 GLN 42 HE22 GLN 42 8.967 3.472 -4.302 332 H ALA 43 H ALA 43 11.204 2.370 0.016 333 HA ALA 43 HA ALA 43 11.003 5.126 0.205 334 HB1 ALA 43 HB1 ALA 43 11.098 4.307 2.836 335 HB2 ALA 43 HB2 ALA 43 10.596 2.887 1.985 336 HB3 ALA 43 HB3 ALA 43 9.657 4.397 1.843 337 HA PRO 44 HA PRO 44 14.866 6.662 1.726 338 HB2 PRO 44 HB3 PRO 44 14.248 8.317 3.707 339 HB3 PRO 44 HB2 PRO 44 13.702 8.627 2.063 340 HG2 PRO 44 HG3 PRO 44 12.174 7.519 4.343 341 HG3 PRO 44 HG2 PRO 44 11.641 8.685 3.149 342 HD2 PRO 44 HD3 PRO 44 11.005 6.058 3.007 343 HD3 PRO 44 HD2 PRO 44 11.109 7.120 1.622 344 H GLY 45 H GLY 45 14.009 7.261 4.936 345 HA2 GLY 45 HA3 GLY 45 16.042 5.541 5.948 346 HA3 GLY 45 HA2 GLY 45 14.917 6.512 6.919 347 H PHE 46 H PHE 46 13.154 4.621 4.668 348 HA PHE 46 HA PHE 46 12.283 2.846 6.803 349 HB2 PHE 46 HB3 PHE 46 10.631 3.845 5.215 350 HB3 PHE 46 HB2 PHE 46 11.418 3.045 3.880 351 HD1 PHE 46 HD1 PHE 46 9.635 2.356 7.059 352 HD2 PHE 46 HD2 PHE 46 10.787 0.950 3.204 353 HE1 PHE 46 HE1 PHE 46 8.187 0.380 7.364 354 HE2 PHE 46 HE2 PHE 46 9.368 -1.052 3.493 355 HZ PHE 46 HZ PHE 46 8.038 -1.327 5.593 356 H THR 47 H THR 47 12.691 0.714 6.976 357 HA THR 47 HA THR 47 14.854 -0.345 5.451 358 HB THR 47 HB THR 47 13.951 -0.709 8.033 359 HG1 THR 47 HG1 THR 47 15.642 -2.267 8.145 360 HG21 THR 47 HG21 THR 47 13.644 -3.225 8.188 361 HG22 THR 47 HG22 THR 47 13.338 -3.167 6.438 362 HG23 THR 47 HG23 THR 47 12.289 -2.287 7.508 363 H TYR 48 H TYR 48 14.326 -0.920 3.415 364 HA TYR 48 HA TYR 48 11.818 -2.057 2.741 365 HB2 TYR 48 HB3 TYR 48 13.761 -2.596 0.774 366 HB3 TYR 48 HB2 TYR 48 12.486 -1.406 0.778 367 HD1 TYR 48 HD1 TYR 48 15.917 -1.902 2.030 368 HD2 TYR 48 HD2 TYR 48 13.067 0.833 0.607 369 HE1 TYR 48 HE1 TYR 48 17.616 -0.196 2.153 370 HE2 TYR 48 HE2 TYR 48 14.810 2.592 0.685 371 HH TYR 48 HH TYR 48 17.887 2.109 2.144 372 H THR 49 H THR 49 11.591 -4.117 1.716 373 HA THR 49 HA THR 49 12.868 -6.265 3.199 374 HB THR 49 HB THR 49 11.264 -7.700 2.110 375 HG1 THR 49 HG1 THR 49 9.815 -6.656 0.515 376 HG21 THR 49 HG21 THR 49 9.353 -5.567 2.246 377 HG22 THR 49 HG22 THR 49 10.491 -5.579 3.643 378 HG23 THR 49 HG23 THR 49 9.519 -7.004 3.254 379 H ASP 50 H ASP 50 13.526 -8.296 1.815 380 HA ASP 50 HA ASP 50 15.825 -7.613 0.337 381 HB2 ASP 50 HB3 ASP 50 15.866 -9.813 1.029 382 HB3 ASP 50 HB2 ASP 50 14.171 -10.080 0.630 383 H ALA 51 H ALA 51 12.456 -8.083 -0.749 384 HA ALA 51 HA ALA 51 13.011 -8.059 -3.475 385 HB1 ALA 51 HB1 ALA 51 10.913 -8.729 -3.585 386 HB2 ALA 51 HB2 ALA 51 10.364 -7.135 -2.944 387 HB3 ALA 51 HB3 ALA 51 10.749 -8.449 -1.832 388 H ASN 52 H ASN 52 11.919 -5.589 -1.215 389 HA ASN 52 HA ASN 52 11.624 -3.513 -3.066 390 HB2 ASN 52 HB3 ASN 52 12.336 -3.365 -0.122 391 HB3 ASN 52 HB2 ASN 52 11.835 -2.001 -1.096 392 HD21 ASN 52 HD21 ASN 52 10.042 -4.101 -2.523 393 HD22 ASN 52 HD22 ASN 52 8.643 -4.150 -1.510 394 H LYS 53 H LYS 53 14.427 -4.510 -1.115 395 HA LYS 53 HA LYS 53 16.128 -2.414 -1.893 396 HB2 LYS 53 HB3 LYS 53 17.957 -4.073 -1.348 397 HB3 LYS 53 HB2 LYS 53 16.785 -3.822 -0.061 398 HG2 LYS 53 HG3 LYS 53 15.662 -5.840 -0.485 399 HG3 LYS 53 HG2 LYS 53 16.631 -6.115 -1.914 400 HD2 LYS 53 HD3 LYS 53 17.753 -7.456 -0.485 401 HD3 LYS 53 HD2 LYS 53 18.664 -5.915 -0.261 402 HE2 LYS 53 HE3 LYS 53 18.130 -5.977 1.886 403 HE3 LYS 53 HE2 LYS 53 16.447 -5.894 1.483 404 HZ1 LYS 53 HZ1 LYS 53 17.939 -8.089 2.431 405 HZ2 LYS 53 HZ2 LYS 53 17.118 -8.469 1.041 406 HZ3 LYS 53 HZ3 LYS 53 16.262 -7.876 2.374 407 H ASN 54 H ASN 54 15.181 -5.335 -3.465 408 HA ASN 54 HA ASN 54 17.177 -5.242 -5.533 409 HB2 ASN 54 HB3 ASN 54 14.548 -6.742 -5.479 410 HB3 ASN 54 HB2 ASN 54 15.855 -6.991 -6.591 411 HD21 ASN 54 HD21 ASN 54 17.264 -6.216 -3.706 412 HD22 ASN 54 HD22 ASN 54 17.540 -7.788 -3.109 413 H LYS 55 H LYS 55 14.284 -3.606 -4.935 414 HA LYS 55 HA LYS 55 13.210 -1.934 -6.048 415 HB2 LYS 55 HB3 LYS 55 15.496 -2.410 -7.949 416 HB3 LYS 55 HB2 LYS 55 14.248 -1.273 -8.343 417 HG2 LYS 55 HG3 LYS 55 15.063 0.218 -6.938 418 HG3 LYS 55 HG2 LYS 55 15.380 -0.967 -5.657 419 HD2 LYS 55 HD3 LYS 55 17.096 -0.191 -8.054 420 HD3 LYS 55 HD2 LYS 55 17.506 -0.124 -6.338 421 HE2 LYS 55 HE3 LYS 55 17.129 -2.667 -6.402 422 HE3 LYS 55 HE2 LYS 55 17.377 -2.460 -8.144 423 HZ1 LYS 55 HZ1 LYS 55 19.503 -2.884 -7.268 424 HZ2 LYS 55 HZ2 LYS 55 19.223 -1.959 -5.892 425 HZ3 LYS 55 HZ3 LYS 55 19.469 -1.232 -7.400 426 H GLY 56 H GLY 56 11.784 -4.010 -6.106 427 HA2 GLY 56 HA3 GLY 56 11.377 -5.543 -8.425 428 HA3 GLY 56 HA2 GLY 56 10.107 -5.089 -7.249 429 H ILE 57 H ILE 57 8.493 -3.706 -7.822 430 HA ILE 57 HA ILE 57 8.987 -1.926 -10.014 431 HB ILE 57 HB ILE 57 7.844 -4.359 -10.624 432 HG12 ILE 57 HG13 ILE 57 8.708 -3.215 -12.387 433 HG13 ILE 57 HG12 ILE 57 6.973 -2.870 -12.667 434 HG21 ILE 57 HG21 ILE 57 5.742 -3.971 -9.590 435 HG22 ILE 57 HG22 ILE 57 5.468 -3.655 -11.282 436 HG23 ILE 57 HG23 ILE 57 5.695 -2.316 -10.113 437 HD11 ILE 57 HD11 ILE 57 7.187 -0.726 -12.130 438 HD12 ILE 57 HD12 ILE 57 8.882 -0.996 -12.665 439 HD13 ILE 57 HD13 ILE 57 8.449 -1.015 -10.959 440 H THR 58 H THR 58 6.989 -0.569 -10.497 441 HA THR 58 HA THR 58 6.096 0.524 -7.984 442 HB THR 58 HB THR 58 6.521 1.533 -10.534 443 HG1 THR 58 HG1 THR 58 6.030 3.473 -9.510 444 HG21 THR 58 HG21 THR 58 4.162 0.993 -11.049 445 HG22 THR 58 HG22 THR 58 4.519 2.692 -11.114 446 HG23 THR 58 HG23 THR 58 3.707 2.004 -9.726 447 H TRP 59 H TRP 59 4.444 -0.216 -6.930 448 HA TRP 59 HA TRP 59 2.517 -1.957 -8.004 449 HB2 TRP 59 HB3 TRP 59 1.856 -0.531 -5.498 450 HB3 TRP 59 HB2 TRP 59 1.821 -2.239 -5.878 451 HD1 TRP 59 HD1 TRP 59 4.259 0.526 -4.934 452 HE1 TRP 59 HE1 TRP 59 6.325 -0.501 -3.768 453 HE3 TRP 59 HE3 TRP 59 3.112 -4.350 -5.613 454 HZ2 TRP 59 HZ2 TRP 59 7.325 -3.087 -3.252 455 HZ3 TRP 59 HZ3 TRP 59 4.704 -6.066 -4.778 456 HH2 TRP 59 HH2 TRP 59 6.736 -5.446 -3.609 457 H LYS 60 H LYS 60 1.085 -1.340 -9.511 458 HA LYS 60 HA LYS 60 -0.170 1.321 -9.268 459 HB2 LYS 60 HB3 LYS 60 0.148 1.463 -11.432 460 HB3 LYS 60 HB2 LYS 60 0.812 -0.197 -11.460 461 HG2 LYS 60 HG3 LYS 60 -0.957 -0.529 -12.832 462 HG3 LYS 60 HG2 LYS 60 -1.901 -0.668 -11.370 463 HD2 LYS 60 HD3 LYS 60 -2.992 1.219 -11.728 464 HD3 LYS 60 HD2 LYS 60 -1.541 2.063 -12.274 465 HE2 LYS 60 HE3 LYS 60 -2.206 0.119 -14.227 466 HE3 LYS 60 HE2 LYS 60 -3.671 1.039 -13.838 467 HZ1 LYS 60 HZ1 LYS 60 -1.760 1.857 -15.541 468 HZ2 LYS 60 HZ2 LYS 60 -1.388 2.746 -14.171 469 HZ3 LYS 60 HZ3 LYS 60 -2.958 2.866 -14.857 470 H GLU 61 H GLU 61 -2.496 1.374 -10.053 471 HA GLU 61 HA GLU 61 -4.092 -0.099 -8.299 472 HB2 GLU 61 HB3 GLU 61 -4.494 2.059 -9.949 473 HB3 GLU 61 HB2 GLU 61 -5.532 0.793 -10.627 474 HG2 GLU 61 HG3 GLU 61 -5.800 0.839 -7.779 475 HG3 GLU 61 HG2 GLU 61 -5.954 2.500 -8.412 476 H GLU 62 H GLU 62 -3.905 -0.408 -11.841 477 HA GLU 62 HA GLU 62 -5.458 -2.715 -12.060 478 HB2 GLU 62 HB3 GLU 62 -5.011 -2.662 -14.270 479 HB3 GLU 62 HB2 GLU 62 -4.617 -1.004 -13.839 480 HG2 GLU 62 HG3 GLU 62 -2.230 -1.623 -13.642 481 HG3 GLU 62 HG2 GLU 62 -2.641 -3.242 -14.206 482 H THR 63 H THR 63 -1.914 -2.312 -11.788 483 HA THR 63 HA THR 63 -1.267 -4.992 -12.121 484 HB THR 63 HB THR 63 0.112 -2.561 -11.689 485 HG1 THR 63 HG1 THR 63 1.423 -3.636 -12.884 486 HG21 THR 63 HG21 THR 63 1.584 -2.909 -9.978 487 HG22 THR 63 HG22 THR 63 1.325 -4.625 -9.879 488 HG23 THR 63 HG23 THR 63 0.128 -3.523 -9.251 489 H LEU 64 H LEU 64 -2.363 -3.151 -9.421 490 HA LEU 64 HA LEU 64 -1.571 -5.046 -7.378 491 HB2 LEU 64 HB3 LEU 64 -3.040 -2.531 -7.533 492 HB3 LEU 64 HB2 LEU 64 -3.728 -3.630 -6.391 493 HG LEU 64 HG LEU 64 -0.884 -2.620 -6.425 494 HD11 LEU 64 HD11 LEU 64 -1.969 -0.871 -5.475 495 HD12 LEU 64 HD12 LEU 64 -1.899 -1.877 -4.034 496 HD13 LEU 64 HD13 LEU 64 -3.356 -1.841 -4.979 497 HD21 LEU 64 HD21 LEU 64 -0.577 -3.885 -4.361 498 HD22 LEU 64 HD22 LEU 64 -1.085 -4.972 -5.615 499 HD23 LEU 64 HD23 LEU 64 -2.269 -4.445 -4.436 500 H MET 65 H MET 65 -4.407 -4.587 -9.403 501 HA MET 65 HA MET 65 -6.194 -6.247 -8.047 502 HB2 MET 65 HB3 MET 65 -5.978 -5.451 -10.979 503 HB3 MET 65 HB2 MET 65 -7.258 -6.494 -10.404 504 HG2 MET 65 HG3 MET 65 -6.668 -3.667 -9.624 505 HG3 MET 65 HG2 MET 65 -8.082 -4.293 -10.482 506 HE1 MET 65 HE1 MET 65 -6.591 -3.129 -7.289 507 HE2 MET 65 HE2 MET 65 -6.132 -4.795 -7.021 508 HE3 MET 65 HE3 MET 65 -7.335 -4.041 -5.989 509 H GLU 66 H GLU 66 -3.786 -6.921 -10.568 510 HA GLU 66 HA GLU 66 -4.487 -9.739 -10.701 511 HB2 GLU 66 HB3 GLU 66 -2.274 -9.770 -12.052 512 HB3 GLU 66 HB2 GLU 66 -3.606 -8.930 -12.718 513 HG2 GLU 66 HG3 GLU 66 -2.687 -6.777 -12.016 514 HG3 GLU 66 HG2 GLU 66 -1.392 -7.618 -11.208 515 H TYR 67 H TYR 67 -2.068 -7.695 -9.130 516 HA TYR 67 HA TYR 67 -0.380 -9.712 -8.214 517 HB2 TYR 67 HB3 TYR 67 0.613 -7.676 -7.929 518 HB3 TYR 67 HB2 TYR 67 -0.871 -6.883 -7.596 519 HD1 TYR 67 HD1 TYR 67 2.020 -8.585 -6.246 520 HD2 TYR 67 HD2 TYR 67 -1.726 -6.978 -5.225 521 HE1 TYR 67 HE1 TYR 67 2.651 -8.674 -3.849 522 HE2 TYR 67 HE2 TYR 67 -1.132 -7.042 -2.853 523 HH TYR 67 HH TYR 67 0.659 -7.103 -1.461 524 H LEU 68 H LEU 68 -3.444 -8.713 -7.169 525 HA LEU 68 HA LEU 68 -3.415 -9.545 -4.491 526 HB2 LEU 68 HB3 LEU 68 -5.606 -9.206 -6.537 527 HB3 LEU 68 HB2 LEU 68 -5.919 -9.867 -4.946 528 HG LEU 68 HG LEU 68 -4.644 -7.187 -5.390 529 HD11 LEU 68 HD11 LEU 68 -6.797 -6.199 -5.023 530 HD12 LEU 68 HD12 LEU 68 -7.530 -7.762 -4.657 531 HD13 LEU 68 HD13 LEU 68 -6.985 -7.399 -6.302 532 HD21 LEU 68 HD21 LEU 68 -4.134 -8.147 -3.272 533 HD22 LEU 68 HD22 LEU 68 -5.475 -7.221 -2.618 534 HD23 LEU 68 HD23 LEU 68 -5.251 -6.830 -3.071 535 H GLU 69 H GLU 69 -3.316 -11.359 -7.390 536 HA GLU 69 HA GLU 69 -4.608 -13.698 -6.648 537 HB2 GLU 69 HB3 GLU 69 -3.250 -12.812 -8.869 538 HB3 GLU 69 HB2 GLU 69 -2.225 -14.115 -8.287 539 HG2 GLU 69 HG3 GLU 69 -4.054 -15.662 -8.335 540 HG3 GLU 69 HG2 GLU 69 -5.138 -14.409 -8.900 541 H ASN 70 H ASN 70 -1.121 -13.579 -7.025 542 HA ASN 70 HA ASN 70 -0.935 -15.112 -4.550 543 HB2 ASN 70 HB3 ASN 70 0.447 -15.437 -7.119 544 HB3 ASN 70 HB2 ASN 70 1.282 -15.926 -5.684 545 HD21 ASN 70 HD21 ASN 70 -1.080 -16.763 -7.961 546 HD22 ASN 70 HD22 ASN 70 -1.595 -18.206 -7.258 547 HA PRO 71 HA PRO 71 1.104 -11.130 -3.550 548 HB2 PRO 71 HB3 PRO 71 1.117 -12.544 -0.959 549 HB3 PRO 71 HB2 PRO 71 0.681 -10.904 -1.296 550 HG2 PRO 71 HG3 PRO 71 -1.212 -12.714 -0.823 551 HG3 PRO 71 HG2 PRO 71 -1.428 -11.424 -2.075 552 HD2 PRO 71 HD3 PRO 71 -0.808 -14.349 -2.410 553 HD3 PRO 71 HD2 PRO 71 -1.789 -13.258 -3.421 554 H LYS 72 H LYS 72 2.043 -14.429 -2.771 555 HA LYS 72 HA LYS 72 4.773 -13.687 -2.171 556 HB2 LYS 72 HB3 LYS 72 4.773 -15.699 -1.207 557 HB3 LYS 72 HB2 LYS 72 3.114 -15.956 -1.769 558 HG2 LYS 72 HG3 LYS 72 4.135 -17.797 -2.619 559 HG3 LYS 72 HG2 LYS 72 4.323 -16.681 -4.000 560 HD2 LYS 72 HD3 LYS 72 6.500 -16.382 -2.209 561 HD3 LYS 72 HD2 LYS 72 6.310 -18.064 -2.599 562 HE2 LYS 72 HE3 LYS 72 5.962 -16.633 -4.995 563 HE3 LYS 72 HE2 LYS 72 7.363 -15.957 -4.209 564 HZ1 LYS 72 HZ1 LYS 72 8.371 -18.141 -4.007 565 HZ2 LYS 72 HZ2 LYS 72 7.996 -17.785 -5.647 566 HZ3 LYS 72 HZ3 LYS 72 6.982 -18.822 -4.754 567 H LYS 73 H LYS 73 2.957 -14.557 -4.992 568 HA LYS 73 HA LYS 73 5.105 -15.511 -6.514 569 HB2 LYS 73 HB3 LYS 73 3.615 -15.607 -8.285 570 HB3 LYS 73 HB2 LYS 73 2.547 -15.711 -6.861 571 HG2 LYS 73 HG3 LYS 73 1.386 -14.129 -8.019 572 HG3 LYS 73 HG2 LYS 73 2.596 -13.052 -7.216 573 HD2 LYS 73 HD3 LYS 73 2.205 -12.812 -9.778 574 HD3 LYS 73 HD2 LYS 73 3.876 -12.882 -9.168 575 HE2 LYS 73 HE3 LYS 73 3.304 -14.268 -11.203 576 HE3 LYS 73 HE2 LYS 73 4.074 -15.112 -9.892 577 HZ1 LYS 73 HZ1 LYS 73 1.736 -15.768 -9.220 578 HZ2 LYS 73 HZ2 LYS 73 2.333 -16.476 -10.620 579 HZ3 LYS 73 HZ3 LYS 73 1.233 -15.208 -10.701 580 H TYR 74 H TYR 74 3.877 -12.348 -5.763 581 HA TYR 74 HA TYR 74 5.335 -11.018 -7.852 582 HB2 TYR 74 HB3 TYR 74 3.410 -10.220 -5.751 583 HB3 TYR 74 HB2 TYR 74 4.631 -8.994 -6.229 584 HD1 TYR 74 HD1 TYR 74 2.085 -11.318 -7.686 585 HD2 TYR 74 HD2 TYR 74 4.233 -7.667 -8.075 586 HE1 TYR 74 HE1 TYR 74 0.760 -10.759 -9.696 587 HE2 TYR 74 HE2 TYR 74 2.918 -7.071 -10.073 588 HH TYR 74 HH TYR 74 0.666 -9.341 -11.505 589 H ILE 75 H ILE 75 5.610 -11.365 -4.326 590 HA ILE 75 HA ILE 75 8.408 -10.574 -4.563 591 HB ILE 75 HB ILE 75 6.405 -9.601 -2.580 592 HG12 ILE 75 HG13 ILE 75 6.460 -8.089 -4.291 593 HG13 ILE 75 HG12 ILE 75 7.648 -7.399 -3.204 594 HG21 ILE 75 HG21 ILE 75 8.434 -8.509 -1.471 595 HG22 ILE 75 HG22 ILE 75 9.404 -9.679 -2.407 596 HG23 ILE 75 HG23 ILE 75 8.263 -10.262 -1.198 597 HD11 ILE 75 HD11 ILE 75 8.948 -7.316 -4.986 598 HD12 ILE 75 HD12 ILE 75 7.991 -8.530 -5.901 599 HD13 ILE 75 HD13 ILE 75 9.204 -9.035 -4.687 600 HA PRO 76 HA PRO 76 7.922 -14.754 -2.577 601 HB2 PRO 76 HB3 PRO 76 10.614 -14.999 -3.806 602 HB3 PRO 76 HB2 PRO 76 9.299 -16.102 -3.869 603 HG2 PRO 76 HG3 PRO 76 9.945 -14.676 -5.958 604 HG3 PRO 76 HG2 PRO 76 8.253 -15.001 -5.586 605 HD2 PRO 76 HD3 PRO 76 9.804 -12.504 -5.153 606 HD3 PRO 76 HD2 PRO 76 8.143 -12.693 -5.680 607 H GLY 77 H GLY 77 8.581 -15.151 -0.580 608 HA2 GLY 77 HA3 GLY 77 10.360 -15.403 1.073 609 HA3 GLY 77 HA2 GLY 77 11.099 -13.973 0.334 610 H THR 78 H THR 78 8.235 -12.780 0.235 611 HA THR 78 HA THR 78 8.342 -11.707 2.984 612 HB THR 78 HB THR 78 8.185 -10.448 0.551 613 HG1 THR 78 HG1 THR 78 7.185 -9.403 2.982 614 HG21 THR 78 HG21 THR 78 5.706 -11.246 0.488 615 HG22 THR 78 HG22 THR 78 6.042 -9.527 0.220 616 HG23 THR 78 HG23 THR 78 5.491 -10.046 1.805 617 H LYS 79 H LYS 79 6.830 -12.189 4.397 618 HA LYS 79 HA LYS 79 4.454 -13.581 3.516 619 HB2 LYS 79 HB3 LYS 79 6.153 -14.579 5.201 620 HB3 LYS 79 HB2 LYS 79 5.350 -13.557 6.351 621 HG2 LYS 79 HG3 LYS 79 4.570 -15.997 6.119 622 HG3 LYS 79 HG2 LYS 79 3.369 -14.738 6.286 623 HD2 LYS 79 HD3 LYS 79 2.832 -16.332 4.474 624 HD3 LYS 79 HD2 LYS 79 2.971 -14.666 3.904 625 HE2 LYS 79 HE3 LYS 79 4.095 -16.356 2.405 626 HE3 LYS 79 HE2 LYS 79 5.195 -15.091 3.030 627 HZ1 LYS 79 HZ1 LYS 79 6.072 -17.394 3.086 628 HZ2 LYS 79 HZ2 LYS 79 4.884 -17.813 4.216 629 HZ3 LYS 79 HZ3 LYS 79 6.042 -16.654 4.622 630 H MET 80 H MET 80 2.517 -12.998 4.117 631 HA MET 80 HA MET 80 2.376 -10.341 5.400 632 HB2 MET 80 HB3 MET 80 0.646 -11.772 3.354 633 HB3 MET 80 HB2 MET 80 -0.086 -10.535 4.369 634 HG2 MET 80 HG3 MET 80 2.428 -9.993 2.868 635 HG3 MET 80 HG2 MET 80 0.840 -9.819 2.100 636 HE1 MET 80 HE1 MET 80 -0.456 -8.258 2.059 637 HE2 MET 80 HE2 MET 80 0.133 -6.601 2.312 638 HE3 MET 80 HE3 MET 80 -1.004 -7.372 3.482 639 H ILE 81 H ILE 81 1.958 -10.314 7.298 640 HA ILE 81 HA ILE 81 0.286 -12.352 8.630 641 HB ILE 81 HB ILE 81 2.398 -10.554 9.810 642 HG12 ILE 81 HG13 ILE 81 3.285 -13.010 10.318 643 HG13 ILE 81 HG12 ILE 81 2.377 -13.342 8.870 644 HG21 ILE 81 HG21 ILE 81 1.379 -12.798 11.394 645 HG22 ILE 81 HG22 ILE 81 0.224 -11.466 11.119 646 HG23 ILE 81 HG23 ILE 81 1.770 -11.156 11.872 647 HD11 ILE 81 HD11 ILE 81 4.427 -12.888 7.953 648 HD12 ILE 81 HD12 ILE 81 4.833 -11.687 9.249 649 HD13 ILE 81 HD13 ILE 81 3.686 -11.263 7.901 650 H PHE 82 H PHE 82 -1.511 -11.884 9.603 651 HA PHE 82 HA PHE 82 -3.022 -10.597 10.726 652 HB2 PHE 82 HB3 PHE 82 -1.011 -9.133 11.278 653 HB3 PHE 82 HB2 PHE 82 -1.584 -8.073 10.033 654 HD1 PHE 82 HD1 PHE 82 -2.182 -9.470 13.386 655 HD2 PHE 82 HD2 PHE 82 -3.557 -6.852 10.353 656 HE1 PHE 82 HE1 PHE 82 -3.702 -8.448 14.976 657 HE2 PHE 82 HE2 PHE 82 -5.121 -5.881 11.906 658 HZ PHE 82 HZ PHE 82 -5.253 -6.660 14.240 659 H ALA 83 H ALA 83 -4.658 -8.956 10.114 660 HA ALA 83 HA ALA 83 -5.197 -7.548 8.020 661 HB1 ALA 83 HB1 ALA 83 -5.907 -9.294 6.239 662 HB2 ALA 83 HB2 ALA 83 -4.616 -10.213 6.972 663 HB3 ALA 83 HB3 ALA 83 -4.271 -8.639 6.313 664 H GLY 84 H GLY 84 -6.924 -7.093 9.505 665 HA2 GLY 84 HA3 GLY 84 -8.910 -9.096 10.011 666 HA3 GLY 84 HA2 GLY 84 -8.979 -7.398 10.499 667 H ILE 85 H ILE 85 -8.356 -7.898 7.244 668 HA ILE 85 HA ILE 85 -11.216 -7.533 6.509 669 HB ILE 85 HB ILE 85 -8.895 -5.904 5.421 670 HG12 ILE 85 HG13 ILE 85 -10.464 -5.519 7.736 671 HG13 ILE 85 HG12 ILE 85 -9.468 -4.343 6.908 672 HG21 ILE 85 HG21 ILE 85 -11.817 -5.851 4.681 673 HG22 ILE 85 HG22 ILE 85 -10.539 -6.481 3.681 674 HG23 ILE 85 HG23 ILE 85 -10.575 -4.792 4.053 675 HD11 ILE 85 HD11 ILE 85 -11.585 -3.989 5.422 676 HD12 ILE 85 HD12 ILE 85 -11.502 -3.286 7.012 677 HD13 ILE 85 HD13 ILE 85 -12.403 -4.783 6.772 678 H LYS 86 H LYS 86 -11.839 -8.355 4.484 679 HA LYS 86 HA LYS 86 -9.844 -9.562 2.781 680 HB2 LYS 86 HB3 LYS 86 -11.421 -11.679 2.831 681 HB3 LYS 86 HB2 LYS 86 -10.084 -11.541 3.942 682 HG2 LYS 86 HG3 LYS 86 -12.357 -10.245 5.108 683 HG3 LYS 86 HG2 LYS 86 -12.855 -11.834 4.527 684 HD2 LYS 86 HD3 LYS 86 -11.359 -12.907 5.955 685 HD3 LYS 86 HD2 LYS 86 -10.291 -11.508 6.071 686 HE2 LYS 86 HE3 LYS 86 -12.406 -10.452 7.218 687 HE3 LYS 86 HE2 LYS 86 -12.829 -12.094 7.519 688 HZ1 LYS 86 HZ1 LYS 86 -10.184 -11.043 8.211 689 HZ2 LYS 86 HZ2 LYS 86 -10.980 -12.404 8.826 690 HZ3 LYS 86 HZ3 LYS 86 -11.495 -10.852 9.266 691 H LYS 87 H LYS 87 -13.235 -8.897 3.452 692 HA LYS 87 HA LYS 87 -14.546 -9.527 1.230 693 HB2 LYS 87 HB3 LYS 87 -14.868 -7.667 3.302 694 HB3 LYS 87 HB2 LYS 87 -15.060 -6.745 1.816 695 HG2 LYS 87 HG3 LYS 87 -17.172 -7.437 1.711 696 HG3 LYS 87 HG2 LYS 87 -16.550 -9.060 1.441 697 HD2 LYS 87 HD3 LYS 87 -16.390 -9.249 3.987 698 HD3 LYS 87 HD2 LYS 87 -17.317 -7.738 4.021 699 HE2 LYS 87 HE3 LYS 87 -18.639 -9.862 4.278 700 HE3 LYS 87 HE2 LYS 87 -19.145 -8.806 2.924 701 HZ1 LYS 87 HZ1 LYS 87 -18.856 -11.331 2.531 702 HZ2 LYS 87 HZ2 LYS 87 -17.238 -10.955 2.417 703 HZ3 LYS 87 HZ3 LYS 87 -18.342 -10.237 1.356 704 H LYS 88 H LYS 88 -14.096 -9.339 -0.844 705 HA LYS 88 HA LYS 88 -12.021 -7.911 -1.989 706 HB2 LYS 88 HB3 LYS 88 -13.203 -9.685 -3.190 707 HB3 LYS 88 HB2 LYS 88 -14.639 -8.721 -3.276 708 HG2 LYS 88 HG3 LYS 88 -13.677 -7.196 -4.801 709 HG3 LYS 88 HG2 LYS 88 -12.044 -7.903 -4.581 710 HD2 LYS 88 HD3 LYS 88 -14.279 -8.807 -6.273 711 HD3 LYS 88 HD2 LYS 88 -12.516 -9.042 -6.453 712 HE2 LYS 88 HE3 LYS 88 -13.499 -11.191 -6.131 713 HE3 LYS 88 HE2 LYS 88 -12.564 -10.738 -4.644 714 HZ1 LYS 88 HZ1 LYS 88 -15.209 -11.570 -4.802 715 HZ2 LYS 88 HZ2 LYS 88 -15.261 -9.919 -4.420 716 HZ3 LYS 88 HZ3 LYS 88 -14.389 -10.929 -3.430 717 H THR 89 H THR 89 -15.343 -6.903 -1.412 718 HA THR 89 HA THR 89 -15.183 -4.449 -2.878 719 HB THR 89 HB THR 89 -17.323 -4.036 -2.082 720 HG1 THR 89 HG1 THR 89 -17.213 -3.823 0.015 721 HG21 THR 89 HG21 THR 89 -17.199 -6.988 -1.515 722 HG22 THR 89 HG22 THR 89 -17.249 -6.308 -3.108 723 HG23 THR 89 HG23 THR 89 -18.621 -6.017 -2.028 724 H GLU 90 H GLU 90 -14.309 -5.383 0.355 725 HA GLU 90 HA GLU 90 -14.049 -2.721 1.373 726 HB2 GLU 90 HB3 GLU 90 -12.794 -5.247 2.419 727 HB3 GLU 90 HB2 GLU 90 -12.997 -3.749 3.316 728 HG2 GLU 90 HG3 GLU 90 -15.492 -4.926 2.176 729 HG3 GLU 90 HG2 GLU 90 -14.716 -5.874 3.479 730 H ARG 91 H ARG 91 -11.823 -5.184 0.240 731 HA ARG 91 HA ARG 91 -9.468 -3.699 0.624 732 HB2 ARG 91 HB3 ARG 91 -9.986 -5.922 -1.293 733 HB3 ARG 91 HB2 ARG 91 -8.446 -5.081 -1.173 734 HG2 ARG 91 HG3 ARG 91 -8.877 -5.692 1.421 735 HG3 ARG 91 HG2 ARG 91 -9.672 -7.062 0.620 736 HD2 ARG 91 HD3 ARG 91 -7.034 -6.869 -0.671 737 HD3 ARG 91 HD2 ARG 91 -6.926 -6.590 1.071 738 HE ARG 91 HE ARG 91 -8.247 -8.713 1.111 739 HH11 ARG 91 HH11 ARG 91 -5.867 -7.774 -1.251 740 HH12 ARG 91 HH12 ARG 91 -5.328 -9.324 -1.523 741 HH21 ARG 91 HH21 ARG 91 -7.563 -10.854 0.716 742 HH22 ARG 91 HH22 ARG 91 -6.307 -11.156 -0.422 743 H GLU 92 H GLU 92 -11.418 -4.116 -2.216 744 HA GLU 92 HA GLU 92 -9.941 -2.457 -3.910 745 HB2 GLU 92 HB3 GLU 92 -11.817 -4.037 -4.586 746 HB3 GLU 92 HB2 GLU 92 -12.934 -2.832 -4.020 747 HG2 GLU 92 HG3 GLU 92 -12.690 -2.703 -6.400 748 HG3 GLU 92 HG2 GLU 92 -11.986 -1.263 -5.664 749 H ASP 93 H ASP 93 -12.611 -1.730 -1.724 750 HA ASP 93 HA ASP 93 -13.070 0.924 -2.473 751 HB2 ASP 93 HB3 ASP 93 -14.634 -0.065 -0.995 752 HB3 ASP 93 HB2 ASP 93 -13.379 -0.524 0.151 753 H GLY 94 H GLY 94 -10.766 -0.369 -0.089 754 HA2 GLY 94 HA3 GLY 94 -9.732 1.963 0.804 755 HA3 GLY 94 HA2 GLY 94 -8.895 0.422 0.832 756 H ILE 95 H ILE 95 -8.900 0.060 -1.878 757 HA ILE 95 HA ILE 95 -6.534 1.286 -2.587 758 HB ILE 95 HB ILE 95 -8.474 -0.384 -4.010 759 HG12 ILE 95 HG13 ILE 95 -5.474 -0.346 -3.630 760 HG13 ILE 95 HG12 ILE 95 -6.631 -1.395 -2.863 761 HG21 ILE 95 HG21 ILE 95 -8.363 0.670 -5.936 762 HG22 ILE 95 HG22 ILE 95 -6.673 0.183 -5.971 763 HG23 ILE 95 HG23 ILE 95 -7.062 1.766 -5.331 764 HD11 ILE 95 HD11 ILE 95 -6.304 -1.389 -5.809 765 HD12 ILE 95 HD12 ILE 95 -7.015 -2.630 -4.776 766 HD13 ILE 95 HD13 ILE 95 -5.271 -2.345 -4.780 767 H ALA 96 H ALA 96 -9.859 2.114 -3.338 768 HA ALA 96 HA ALA 96 -9.453 4.020 -5.290 769 HB1 ALA 96 HB1 ALA 96 -11.658 3.268 -4.852 770 HB2 ALA 96 HB2 ALA 96 -11.629 4.934 -4.601 771 HB3 ALA 96 HB3 ALA 96 -11.652 3.820 -3.229 772 H TYR 97 H TYR 97 -9.716 4.278 -1.747 773 HA TYR 97 HA TYR 97 -9.275 7.016 -1.550 774 HB2 TYR 97 HB3 TYR 97 -10.123 5.924 0.387 775 HB3 TYR 97 HB2 TYR 97 -8.775 4.742 0.330 776 HD1 TYR 97 HD1 TYR 97 -7.825 5.076 2.448 777 HD2 TYR 97 HD2 TYR 97 -8.569 8.442 0.002 778 HE1 TYR 97 HE1 TYR 97 -6.574 6.466 3.985 779 HE2 TYR 97 HE2 TYR 97 -7.283 9.877 1.586 780 HH TYR 97 HH TYR 97 -5.482 8.475 4.250 781 H LEU 98 H LEU 98 -7.074 4.314 -1.730 782 HA LEU 98 HA LEU 98 -4.670 5.672 -1.176 783 HB2 LEU 98 HB3 LEU 98 -5.445 3.050 -1.846 784 HB3 LEU 98 HB2 LEU 98 -4.381 3.557 -3.142 785 HG LEU 98 HG LEU 98 -3.635 3.747 -0.211 786 HD11 LEU 98 HD11 LEU 98 -2.159 1.719 -1.339 787 HD12 LEU 98 HD12 LEU 98 -3.771 1.444 -1.999 788 HD13 LEU 98 HD13 LEU 98 -3.551 1.489 -0.248 789 HD21 LEU 98 HD21 LEU 98 -2.108 3.939 -2.821 790 HD22 LEU 98 HD22 LEU 98 -1.343 3.738 -1.288 791 HD23 LEU 98 HD23 LEU 98 -2.290 5.160 -1.561 792 H LYS 99 H LYS 99 -6.525 5.260 -4.114 793 HA LYS 99 HA LYS 99 -4.607 6.155 -5.976 794 HB2 LYS 99 HB3 LYS 99 -7.589 6.764 -6.148 795 HB3 LYS 99 HB2 LYS 99 -6.462 6.514 -7.464 796 HG2 LYS 99 HG3 LYS 99 -7.380 4.367 -5.573 797 HG3 LYS 99 HG2 LYS 99 -7.826 4.585 -7.255 798 HD2 LYS 99 HD3 LYS 99 -6.132 2.877 -6.583 799 HD3 LYS 99 HD2 LYS 99 -5.235 4.458 -7.597 800 HE2 LYS 99 HE3 LYS 99 -4.009 3.732 -5.900 801 HE3 LYS 99 HE2 LYS 99 -5.441 3.906 -4.877 802 HZ1 LYS 99 HZ1 LYS 99 -4.119 1.647 -5.586 803 HZ2 LYS 99 HZ2 LYS 99 -5.611 1.556 -6.321 804 HZ3 LYS 99 HZ3 LYS 99 -5.498 1.780 -4.659 805 H LYS 100 H LYS 100 -6.974 8.020 -4.060 806 HA LYS 100 HA LYS 100 -6.106 10.516 -5.134 807 HB2 LYS 100 HB3 LYS 100 -8.192 10.985 -4.389 808 HB3 LYS 100 HB2 LYS 100 -8.187 9.540 -3.321 809 HG2 LYS 100 HG3 LYS 100 -6.830 10.849 -1.706 810 HG3 LYS 100 HG2 LYS 100 -7.009 12.278 -2.706 811 HD2 LYS 100 HD3 LYS 100 -9.176 10.744 -1.284 812 HD3 LYS 100 HD2 LYS 100 -8.688 12.404 -1.060 813 HE2 LYS 100 HE3 LYS 100 -9.795 11.431 -3.668 814 HE3 LYS 100 HE2 LYS 100 -10.818 12.004 -2.378 815 HZ1 LYS 100 HZ1 LYS 100 -9.379 13.519 -4.285 816 HZ2 LYS 100 HZ2 LYS 100 -8.775 13.888 -2.748 817 HZ3 LYS 100 HZ3 LYS 100 -10.452 14.093 -3.036 818 H ALA 101 H ALA 101 -5.456 8.638 -2.273 819 HA ALA 101 HA ALA 101 -4.082 10.463 -0.745 820 HB1 ALA 101 HB1 ALA 101 -3.311 7.562 -0.773 821 HB2 ALA 101 HB2 ALA 101 -4.926 8.060 -0.178 822 HB3 ALA 101 HB3 ALA 101 -3.459 8.678 0.574 823 H THR 102 H THR 102 -3.092 8.686 -3.525 824 HA THR 102 HA THR 102 -0.342 9.604 -3.124 825 HB THR 102 HB THR 102 -0.278 7.310 -3.746 826 HG1 THR 102 HG1 THR 102 0.860 7.478 -5.538 827 HG21 THR 102 HG21 THR 102 -2.737 7.897 -5.121 828 HG22 THR 102 HG22 THR 102 -2.180 6.408 -4.395 829 HG23 THR 102 HG23 THR 102 -1.647 6.847 -6.025 830 H ASN 103 H ASN 103 -3.247 10.061 -4.785 831 HA ASN 103 HA ASN 103 -2.246 12.478 -5.952 832 HB2 ASN 103 HB3 ASN 103 -3.629 10.782 -7.964 833 HB3 ASN 103 HB2 ASN 103 -2.390 12.012 -8.191 834 HD21 ASN 103 HD21 ASN 103 -2.979 8.698 -7.217 835 HD22 ASN 103 HD22 ASN 103 -1.381 8.122 -7.527 836 H GLU 104 H GLU 104 -3.790 13.915 -5.229 837 HA GLU 104 HA GLU 104 -6.237 14.501 -6.130 838 HB2 GLU 104 HB3 GLU 104 -6.378 12.089 -4.366 839 HB3 GLU 104 HB2 GLU 104 -7.665 13.280 -4.267 840 HG2 GLU 104 HG3 GLU 104 -7.004 12.527 -6.974 841 HG3 GLU 104 HG2 GLU 104 -7.575 11.213 -6.010 842 HHA HEC 201 HHA HEC 201 5.076 -5.120 0.591 843 HHB HEC 201 HHB HEC 201 -0.514 -2.432 0.407 844 HHC HEC 201 HHC HEC 201 -2.149 -6.086 5.285 845 HHD HEC 201 HHD HEC 201 3.974 -5.818 6.900 846 HMA1 HEC 201 HMA1 HEC 201 0.833 -1.135 -1.159 847 HMA2 HEC 201 HMA2 HEC 201 2.433 -0.292 -0.640 848 HMA3 HEC 201 HMA3 HEC 201 2.246 -1.565 -1.460 849 HAA1 HEC 201 HAA1 HEC 201 4.917 -2.996 -1.317 850 HAA2 HEC 201 HAA2 HEC 201 5.500 -2.356 0.227 851 HBA1 HEC 201 HBA1 HEC 201 4.025 -0.320 -0.186 852 HBA2 HEC 201 HBA2 HEC 201 3.765 -0.949 -1.826 853 HMB1 HEC 201 HMB1 HEC 201 -3.693 -1.925 2.092 854 HMB2 HEC 201 HMB2 HEC 201 -3.771 -3.212 0.871 855 HMB3 HEC 201 HMB3 HEC 201 -2.508 -1.956 0.765 856 HAB HEC 201 HAB HEC 201 -4.007 -3.257 4.599 857 HBB1 HEC 201 HBB1 HEC 201 -5.438 -5.229 2.807 858 HBB2 HEC 201 HBB2 HEC 201 -4.795 -3.734 2.098 859 HBB3 HEC 201 HBB3 HEC 201 -5.917 -3.652 3.485 860 HMC1 HEC 201 HMC1 HEC 201 -1.020 -7.544 8.631 861 HMC2 HEC 201 HMC2 HEC 201 -2.003 -7.685 7.033 862 HMC3 HEC 201 HMC3 HEC 201 -0.656 -8.304 7.378 863 HAC HEC 201 HAC HEC 201 2.908 -6.828 8.383 864 HBC1 HEC 201 HBC1 HEC 201 3.181 -9.216 7.826 865 HBC2 HEC 201 HBC2 HEC 201 1.529 -9.525 8.398 866 HBC3 HEC 201 HBC3 HEC 201 2.782 -8.975 9.545 867 HMD1 HEC 201 HMD1 HEC 201 5.903 -7.012 6.504 868 HMD2 HEC 201 HMD2 HEC 201 7.046 -5.716 6.106 869 HMD3 HEC 201 HMD3 HEC 201 7.147 -7.284 5.257 870 HAD1 HEC 201 HAD1 HEC 201 7.855 -6.295 3.284 871 HAD2 HEC 201 HAD2 HEC 201 7.448 -4.875 2.307 872 HBD1 HEC 201 HBD1 HEC 201 7.770 -7.540 1.424 873 HBD2 HEC 201 HBD2 HEC 201 7.229 -6.137 0.477 Start of MODEL 9 1 H1 GLY 1 1H GLY 1 -19.485 4.011 -0.296 2 H2 GLY 1 2H GLY 1 -18.888 3.468 -1.782 3 H3 GLY 1 3H GLY 1 -19.048 5.126 -1.491 4 HA2 GLY 1 HA2 GLY 1 -17.411 3.765 0.447 5 HA3 GLY 1 HA3 GLY 1 -16.740 3.702 -1.186 6 H ASP 2 H ASP 2 -16.686 5.377 1.663 7 HA ASP 2 HA ASP 2 -16.098 7.916 0.221 8 HB2 ASP 2 HB3 ASP 2 -16.691 7.650 3.231 9 HB3 ASP 2 HB2 ASP 2 -16.724 9.130 2.183 10 H VAL 3 H VAL 3 -14.286 9.176 1.072 11 HA VAL 3 HA VAL 3 -11.936 7.666 1.390 12 HB VAL 3 HB VAL 3 -12.611 10.555 1.502 13 HG11 VAL 3 HG11 VAL 3 -11.302 10.630 3.418 14 HG12 VAL 3 HG12 VAL 3 -10.145 10.969 2.101 15 HG13 VAL 3 HG13 VAL 3 -10.214 9.364 2.840 16 HG21 VAL 3 HG21 VAL 3 -11.896 10.287 -0.570 17 HG22 VAL 3 HG22 VAL 3 -11.187 8.685 -0.164 18 HG23 VAL 3 HG23 VAL 3 -10.283 10.197 0.157 19 H GLU 4 H GLU 4 -13.947 9.411 3.721 20 HA GLU 4 HA GLU 4 -12.296 9.152 6.026 21 HB2 GLU 4 HB3 GLU 4 -14.207 10.632 6.058 22 HB3 GLU 4 HB2 GLU 4 -15.305 9.294 5.802 23 HG2 GLU 4 HG3 GLU 4 -14.414 8.364 8.025 24 HG3 GLU 4 HG2 GLU 4 -13.708 9.979 8.219 25 H LYS 5 H LYS 5 -14.882 7.033 4.784 26 HA LYS 5 HA LYS 5 -14.709 5.104 6.846 27 HB2 LYS 5 HB3 LYS 5 -15.567 4.657 4.033 28 HB3 LYS 5 HB2 LYS 5 -15.986 3.628 5.405 29 HG2 LYS 5 HG3 LYS 5 -16.847 6.090 6.199 30 HG3 LYS 5 HG2 LYS 5 -17.234 6.096 4.444 31 HD2 LYS 5 HD3 LYS 5 -17.878 3.619 5.892 32 HD3 LYS 5 HD2 LYS 5 -18.799 5.019 6.375 33 HE2 LYS 5 HE3 LYS 5 -20.086 4.834 4.600 34 HE3 LYS 5 HE2 LYS 5 -18.672 5.058 3.572 35 HZ1 LYS 5 HZ1 LYS 5 -20.202 2.761 3.972 36 HZ2 LYS 5 HZ2 LYS 5 -18.624 2.443 4.455 37 HZ3 LYS 5 HZ3 LYS 5 -18.925 3.021 2.891 38 H GLY 6 H GLY 6 -13.019 5.454 3.767 39 HA2 GLY 6 HA3 GLY 6 -11.771 2.905 3.707 40 HA3 GLY 6 HA2 GLY 6 -11.227 4.377 2.887 41 H LYS 7 H LYS 7 -10.729 6.004 5.050 42 HA LYS 7 HA LYS 7 -8.140 5.263 5.721 43 HB2 LYS 7 HB3 LYS 7 -8.532 7.548 5.895 44 HB3 LYS 7 HB2 LYS 7 -10.066 7.360 6.815 45 HG2 LYS 7 HG3 LYS 7 -7.911 6.284 8.354 46 HG3 LYS 7 HG2 LYS 7 -7.516 7.919 7.822 47 HD2 LYS 7 HD3 LYS 7 -10.216 8.008 8.576 48 HD3 LYS 7 HD2 LYS 7 -9.424 6.972 9.784 49 HE2 LYS 7 HE3 LYS 7 -8.907 8.857 10.831 50 HE3 LYS 7 HE2 LYS 7 -7.607 8.930 9.642 51 HZ1 LYS 7 HZ1 LYS 7 -8.515 10.992 9.279 52 HZ2 LYS 7 HZ2 LYS 7 -10.065 10.499 9.774 53 HZ3 LYS 7 HZ3 LYS 7 -9.554 10.093 8.225 54 H LYS 8 H LYS 8 -11.134 4.984 7.607 55 HA LYS 8 HA LYS 8 -9.903 3.934 9.963 56 HB2 LYS 8 HB3 LYS 8 -12.011 3.799 10.754 57 HB3 LYS 8 HB2 LYS 8 -12.420 4.772 9.370 58 HG2 LYS 8 HG3 LYS 8 -13.995 3.112 9.139 59 HG3 LYS 8 HG2 LYS 8 -12.646 2.432 8.188 60 HD2 LYS 8 HD3 LYS 8 -14.005 1.341 10.431 61 HD3 LYS 8 HD2 LYS 8 -12.662 0.646 9.521 62 HE2 LYS 8 HE3 LYS 8 -11.067 1.951 10.923 63 HE3 LYS 8 HE2 LYS 8 -12.443 2.505 11.901 64 HZ1 LYS 8 HZ1 LYS 8 -11.132 -0.053 11.876 65 HZ2 LYS 8 HZ2 LYS 8 -12.823 -0.104 11.989 66 HZ3 LYS 8 HZ3 LYS 8 -11.902 0.743 13.127 67 H ILE 9 H ILE 9 -11.269 2.335 7.094 68 HA ILE 9 HA ILE 9 -11.019 -0.305 8.013 69 HB ILE 9 HB ILE 9 -11.193 0.924 5.289 70 HG12 ILE 9 HG13 ILE 9 -12.889 -1.025 6.863 71 HG13 ILE 9 HG12 ILE 9 -13.249 0.670 6.550 72 HG21 ILE 9 HG21 ILE 9 -10.925 -1.123 4.172 73 HG22 ILE 9 HG22 ILE 9 -10.960 -2.045 5.673 74 HG23 ILE 9 HG23 ILE 9 -9.566 -1.037 5.292 75 HD11 ILE 9 HD11 ILE 9 -13.250 0.051 4.090 76 HD12 ILE 9 HD12 ILE 9 -14.592 -0.541 5.069 77 HD13 ILE 9 HD13 ILE 9 -13.274 -1.629 4.631 78 H PHE 10 H PHE 10 -8.836 1.509 6.383 79 HA PHE 10 HA PHE 10 -6.998 -0.618 6.163 80 HB2 PHE 10 HB3 PHE 10 -6.461 0.805 4.507 81 HB3 PHE 10 HB2 PHE 10 -7.153 2.183 5.347 82 HD1 PHE 10 HD1 PHE 10 -4.177 1.183 3.736 83 HD2 PHE 10 HD2 PHE 10 -5.703 3.078 7.153 84 HE1 PHE 10 HE1 PHE 10 -1.895 1.824 4.341 85 HE2 PHE 10 HE2 PHE 10 -3.425 3.725 7.765 86 HZ PHE 10 HZ PHE 10 -1.518 3.097 6.358 87 H VAL 11 H VAL 11 -7.328 1.964 8.382 88 HA VAL 11 HA VAL 11 -4.854 1.951 9.574 89 HB VAL 11 HB VAL 11 -7.547 2.460 10.827 90 HG11 VAL 11 HG11 VAL 11 -6.527 3.299 12.748 91 HG12 VAL 11 HG12 VAL 11 -4.936 3.365 11.990 92 HG13 VAL 11 HG13 VAL 11 -5.641 1.809 12.423 93 HG21 VAL 11 HG21 VAL 11 -7.436 4.385 9.729 94 HG22 VAL 11 HG22 VAL 11 -5.861 3.947 9.065 95 HG23 VAL 11 HG23 VAL 11 -5.964 4.783 10.615 96 H GLN 12 H GLN 12 -7.714 0.178 10.728 97 HA GLN 12 HA GLN 12 -6.044 -1.286 12.654 98 HB2 GLN 12 HB3 GLN 12 -8.186 -2.668 12.954 99 HB3 GLN 12 HB2 GLN 12 -8.301 -0.964 13.400 100 HG2 GLN 12 HG3 GLN 12 -10.067 -0.882 12.090 101 HG3 GLN 12 HG2 GLN 12 -9.038 -0.988 10.737 102 HE21 GLN 12 HE21 GLN 12 -8.303 -3.748 11.440 103 HE22 GLN 12 HE22 GLN 12 -9.625 -4.712 10.967 104 H LYS 13 H LYS 13 -7.756 -1.806 9.783 105 HA LYS 13 HA LYS 13 -7.561 -3.999 8.266 106 HB2 LYS 13 HB3 LYS 13 -7.986 -2.379 7.108 107 HB3 LYS 13 HB2 LYS 13 -6.611 -1.426 7.707 108 HG2 LYS 13 HG3 LYS 13 -6.111 -2.097 5.519 109 HG3 LYS 13 HG2 LYS 13 -5.268 -3.302 6.548 110 HD2 LYS 13 HD3 LYS 13 -6.446 -5.053 5.570 111 HD3 LYS 13 HD2 LYS 13 -7.991 -4.294 5.986 112 HE2 LYS 13 HE3 LYS 13 -7.124 -2.803 3.842 113 HE3 LYS 13 HE2 LYS 13 -6.758 -4.660 3.480 114 HZ1 LYS 13 HZ1 LYS 13 -9.316 -3.921 4.338 115 HZ2 LYS 13 HZ2 LYS 13 -8.727 -5.287 3.491 116 HZ3 LYS 13 HZ3 LYS 13 -8.883 -3.775 2.699 117 H CYS 14 H CYS 14 -4.581 -2.314 8.935 118 HA CYS 14 HA CYS 14 -2.917 -4.409 9.561 119 HB2 CYS 14 HB3 CYS 14 -1.544 -4.847 7.681 120 HB3 CYS 14 HB2 CYS 14 -3.216 -5.512 7.526 121 H ALA 15 H ALA 15 -3.562 -1.302 9.526 122 HA ALA 15 HA ALA 15 -1.326 0.081 8.625 123 HB1 ALA 15 HB1 ALA 15 -2.728 0.795 11.205 124 HB2 ALA 15 HB2 ALA 15 -3.512 0.952 9.594 125 HB3 ALA 15 HB3 ALA 15 -2.033 1.847 9.943 126 H GLN 16 H GLN 16 -1.449 -2.163 11.595 127 HA GLN 16 HA GLN 16 0.809 -1.194 12.952 128 HB2 GLN 16 HB3 GLN 16 0.473 -4.111 12.920 129 HB3 GLN 16 HB2 GLN 16 0.542 -2.987 14.271 130 HG2 GLN 16 HG3 GLN 16 -1.852 -2.328 13.613 131 HG3 GLN 16 HG2 GLN 16 -1.853 -3.741 12.608 132 HE21 GLN 16 HE21 GLN 16 -0.669 -3.030 15.847 133 HE22 GLN 16 HE22 GLN 16 -1.531 -4.314 16.655 134 H CYS 17 H CYS 17 0.629 -3.386 10.212 135 HA CYS 17 HA CYS 17 3.394 -4.035 10.267 136 HB2 CYS 17 HB3 CYS 17 1.563 -4.346 7.857 137 HB3 CYS 17 HB2 CYS 17 2.945 -5.348 8.332 138 H HIS 18 H HIS 18 1.487 -1.464 9.026 139 HA HIS 18 HA HIS 18 3.717 -0.528 7.344 140 HB2 HIS 18 HB3 HIS 18 0.820 0.330 7.249 141 HB3 HIS 18 HB2 HIS 18 2.093 0.844 6.146 142 HD1 HIS 18 HD1 HIS 18 1.813 -0.318 3.964 143 HD2 HIS 18 HD2 HIS 18 0.832 -2.798 7.177 144 HE1 HIS 18 HE1 HIS 18 1.204 -2.504 2.953 145 H THR 19 H THR 19 3.203 -0.245 10.327 146 HA THR 19 HA THR 19 3.403 1.319 11.966 147 HB THR 19 HB THR 19 4.845 2.809 9.827 148 HG1 THR 19 HG1 THR 19 6.664 1.746 10.572 149 HG21 THR 19 HG21 THR 19 5.277 2.877 12.799 150 HG22 THR 19 HG22 THR 19 4.409 4.128 11.887 151 HG23 THR 19 HG23 THR 19 6.123 3.883 11.557 152 H VAL 20 H VAL 20 2.780 3.426 12.691 153 HA VAL 20 HA VAL 20 0.292 4.339 11.372 154 HB VAL 20 HB VAL 20 1.462 5.634 13.860 155 HG11 VAL 20 HG11 VAL 20 -0.727 6.327 12.488 156 HG12 VAL 20 HG12 VAL 20 -0.784 6.260 14.289 157 HG13 VAL 20 HG13 VAL 20 -1.484 4.937 13.283 158 HG21 VAL 20 HG21 VAL 20 0.369 3.911 15.221 159 HG22 VAL 20 HG22 VAL 20 1.668 3.175 14.137 160 HG23 VAL 20 HG23 VAL 20 -0.140 3.026 13.783 161 H GLU 21 H GLU 21 0.849 7.042 12.749 162 HA GLU 21 HA GLU 21 1.591 8.477 10.394 163 HB2 GLU 21 HB3 GLU 21 1.950 10.008 12.799 164 HB3 GLU 21 HB2 GLU 21 0.761 10.216 11.519 165 HG2 GLU 21 HG3 GLU 21 -0.700 8.560 12.518 166 HG3 GLU 21 HG2 GLU 21 0.459 8.359 13.833 167 H LYS 22 H LYS 22 3.528 9.557 9.845 168 HA LYS 22 HA LYS 22 5.943 8.396 10.368 169 HB2 LYS 22 HB3 LYS 22 5.276 10.097 8.576 170 HB3 LYS 22 HB2 LYS 22 5.699 11.334 9.751 171 HG2 LYS 22 HG3 LYS 22 7.532 9.225 8.523 172 HG3 LYS 22 HG2 LYS 22 7.578 10.993 8.336 173 HD2 LYS 22 HD3 LYS 22 8.099 9.477 10.869 174 HD3 LYS 22 HD2 LYS 22 9.292 10.273 9.899 175 HE2 LYS 22 HE3 LYS 22 8.397 12.423 10.313 176 HE3 LYS 22 HE2 LYS 22 6.996 11.715 11.161 177 HZ1 LYS 22 HZ1 LYS 22 9.487 12.452 12.202 178 HZ2 LYS 22 HZ2 LYS 22 9.341 10.760 12.376 179 HZ3 LYS 22 HZ3 LYS 22 8.196 11.777 13.022 180 H GLY 23 H GLY 23 7.195 8.326 12.146 181 HA2 GLY 23 HA3 GLY 23 8.315 10.132 13.644 182 HA3 GLY 23 HA2 GLY 23 6.693 10.219 14.327 183 H GLY 24 H GLY 24 6.243 7.332 13.902 184 HA2 GLY 24 HA3 GLY 24 7.380 6.440 16.383 185 HA3 GLY 24 HA2 GLY 24 6.268 5.521 15.335 186 H LYS 25 H LYS 25 7.225 3.646 14.821 187 HA LYS 25 HA LYS 25 10.078 3.613 14.133 188 HB2 LYS 25 HB3 LYS 25 8.903 1.026 14.573 189 HB3 LYS 25 HB2 LYS 25 10.298 1.737 15.267 190 HG2 LYS 25 HG3 LYS 25 9.168 2.493 17.107 191 HG3 LYS 25 HG2 LYS 25 7.657 2.693 16.205 192 HD2 LYS 25 HD3 LYS 25 8.878 0.054 17.070 193 HD3 LYS 25 HD2 LYS 25 7.439 0.852 17.775 194 HE2 LYS 25 HE3 LYS 25 6.117 -0.096 16.265 195 HE3 LYS 25 HE2 LYS 25 7.088 0.649 14.972 196 HZ1 LYS 25 HZ1 LYS 25 7.064 -2.088 15.967 197 HZ2 LYS 25 HZ2 LYS 25 8.618 -1.428 15.749 198 HZ3 LYS 25 HZ3 LYS 25 7.587 -1.449 14.453 199 H HIS 26 H HIS 26 10.734 2.281 12.369 200 HA HIS 26 HA HIS 26 9.177 2.542 10.073 201 HB2 HIS 26 HB3 HIS 26 11.045 0.473 9.680 202 HB3 HIS 26 HB2 HIS 26 11.107 2.121 9.061 203 HD1 HIS 26 HD1 HIS 26 11.829 0.377 12.421 204 HD2 HIS 26 HD2 HIS 26 13.371 3.317 9.888 205 HE1 HIS 26 HE1 HIS 26 13.932 1.203 13.565 206 HE2 HIS 26 HE2 HIS 26 14.781 3.029 12.037 207 H LYS 27 H LYS 27 7.901 1.152 8.929 208 HA LYS 27 HA LYS 27 6.783 -1.081 10.415 209 HB2 LYS 27 HB3 LYS 27 4.965 -0.942 9.049 210 HB3 LYS 27 HB2 LYS 27 5.549 0.759 8.981 211 HG2 LYS 27 HG3 LYS 27 6.875 -0.458 6.924 212 HG3 LYS 27 HG2 LYS 27 5.239 -1.196 6.838 213 HD2 LYS 27 HD3 LYS 27 5.708 0.963 5.514 214 HD3 LYS 27 HD2 LYS 27 4.248 0.907 6.509 215 HE2 LYS 27 HE3 LYS 27 4.934 2.558 7.806 216 HE3 LYS 27 HE2 LYS 27 6.499 1.858 8.023 217 HZ1 LYS 27 HZ1 LYS 27 7.298 2.843 6.085 218 HZ2 LYS 27 HZ2 LYS 27 6.497 4.055 6.916 219 HZ3 LYS 27 HZ3 LYS 27 5.758 3.345 5.569 220 H THR 28 H THR 28 6.177 -3.020 8.988 221 HA THR 28 HA THR 28 8.591 -4.291 8.181 222 HB THR 28 HB THR 28 5.968 -5.459 7.386 223 HG1 THR 28 HG1 THR 28 6.811 -5.500 10.069 224 HG21 THR 28 HG21 THR 28 6.889 -7.534 7.890 225 HG22 THR 28 HG22 THR 28 8.113 -6.768 9.008 226 HG23 THR 28 HG23 THR 28 8.265 -6.647 7.235 227 H GLY 29 H GLY 29 5.849 -2.897 6.417 228 HA2 GLY 29 HA3 GLY 29 7.500 -3.009 3.960 229 HA3 GLY 29 HA2 GLY 29 5.799 -3.546 3.930 230 HA PRO 30 HA PRO 30 6.698 1.265 3.250 231 HB2 PRO 30 HB3 PRO 30 5.647 0.358 0.535 232 HB3 PRO 30 HB2 PRO 30 6.769 1.662 0.909 233 HG2 PRO 30 HG3 PRO 30 7.690 -0.675 -0.024 234 HG3 PRO 30 HG2 PRO 30 8.565 0.241 1.198 235 HD2 PRO 30 HD3 PRO 30 6.951 -2.248 1.582 236 HD3 PRO 30 HD2 PRO 30 8.336 -1.725 2.542 237 H ASN 31 H ASN 31 5.051 2.300 4.170 238 HA ASN 31 HA ASN 31 2.535 1.313 4.534 239 HB2 ASN 31 HB3 ASN 31 3.819 3.406 5.544 240 HB3 ASN 31 HB2 ASN 31 2.846 4.276 4.335 241 HD21 ASN 31 HD21 ASN 31 2.194 5.165 6.556 242 HD22 ASN 31 HD22 ASN 31 0.697 4.490 7.252 243 H LEU 32 H LEU 32 3.419 4.009 2.221 244 HA LEU 32 HA LEU 32 1.937 2.949 0.185 245 HB2 LEU 32 HB3 LEU 32 0.040 4.458 -0.149 246 HB3 LEU 32 HB2 LEU 32 0.004 3.498 1.320 247 HG LEU 32 HG LEU 32 -1.032 5.627 1.883 248 HD11 LEU 32 HD11 LEU 32 1.632 5.255 2.824 249 HD12 LEU 32 HD12 LEU 32 0.205 4.574 3.603 250 HD13 LEU 32 HD13 LEU 32 0.472 6.316 3.624 251 HD21 LEU 32 HD21 LEU 32 -0.259 7.589 1.121 252 HD22 LEU 32 HD22 LEU 32 0.411 6.513 -0.105 253 HD23 LEU 32 HD23 LEU 32 1.402 7.031 1.265 254 H HIS 33 H HIS 33 3.442 5.658 1.721 255 HA HIS 33 HA HIS 33 3.538 7.592 -0.199 256 HB2 HIS 33 HB3 HIS 33 4.839 7.092 2.195 257 HB3 HIS 33 HB2 HIS 33 6.141 7.283 1.027 258 HD1 HIS 33 HD1 HIS 33 6.787 9.512 2.241 259 HD2 HIS 33 HD2 HIS 33 3.047 9.509 0.517 260 HE1 HIS 33 HE1 HIS 33 6.101 11.914 2.156 261 HE2 HIS 33 HE2 HIS 33 3.784 11.894 1.193 262 H GLY 34 H GLY 34 4.294 7.719 -2.232 263 HA2 GLY 34 HA3 GLY 34 5.605 7.336 -4.060 264 HA3 GLY 34 HA2 GLY 34 6.764 6.540 -3.038 265 H LEU 35 H LEU 35 3.597 5.344 -2.867 266 HA LEU 35 HA LEU 35 4.274 2.749 -3.648 267 HB2 LEU 35 HB3 LEU 35 2.347 3.361 -2.180 268 HB3 LEU 35 HB2 LEU 35 1.520 4.006 -3.616 269 HG LEU 35 HG LEU 35 1.437 1.771 -4.632 270 HD11 LEU 35 HD11 LEU 35 2.571 -0.105 -3.919 271 HD12 LEU 35 HD12 LEU 35 2.484 0.428 -2.203 272 HD13 LEU 35 HD13 LEU 35 3.686 1.195 -3.200 273 HD21 LEU 35 HD21 LEU 35 0.383 2.124 -1.817 274 HD22 LEU 35 HD22 LEU 35 0.059 0.626 -2.687 275 HD23 LEU 35 HD23 LEU 35 -0.516 2.154 -3.309 276 H PHE 36 H PHE 36 2.529 5.313 -5.363 277 HA PHE 36 HA PHE 36 2.859 3.760 -7.862 278 HB2 PHE 36 HB3 PHE 36 0.938 6.091 -7.766 279 HB3 PHE 36 HB2 PHE 36 0.781 4.621 -8.668 280 HD1 PHE 36 HD1 PHE 36 -0.274 2.585 -7.729 281 HD2 PHE 36 HD2 PHE 36 0.295 6.228 -5.437 282 HE1 PHE 36 HE1 PHE 36 -1.851 1.760 -6.012 283 HE2 PHE 36 HE2 PHE 36 -1.290 5.369 -3.703 284 HZ PHE 36 HZ PHE 36 -2.314 3.156 -3.988 285 H GLY 37 H GLY 37 4.604 5.847 -6.315 286 HA2 GLY 37 HA3 GLY 37 5.149 7.519 -8.722 287 HA3 GLY 37 HA2 GLY 37 5.300 8.146 -7.041 288 H ARG 38 H ARG 38 6.484 5.851 -5.862 289 HA ARG 38 HA ARG 38 9.194 6.309 -6.854 290 HB2 ARG 38 HB3 ARG 38 8.134 4.885 -4.384 291 HB3 ARG 38 HB2 ARG 38 9.842 4.955 -4.785 292 HG2 ARG 38 HG3 ARG 38 9.502 7.500 -4.839 293 HG3 ARG 38 HG2 ARG 38 7.951 7.222 -4.053 294 HD2 ARG 38 HD3 ARG 38 8.953 6.920 -2.048 295 HD3 ARG 38 HD2 ARG 38 10.003 5.678 -2.725 296 HE ARG 38 HE ARG 38 11.622 7.266 -2.462 297 HH11 ARG 38 HH11 ARG 38 8.704 8.852 -3.469 298 HH12 ARG 38 HH12 ARG 38 9.473 10.425 -3.587 299 HH21 ARG 38 HH21 ARG 38 12.599 9.309 -2.551 300 HH22 ARG 38 HH22 ARG 38 11.688 10.684 -3.065 301 H LYS 39 H LYS 39 10.688 4.324 -6.868 302 HA LYS 39 HA LYS 39 9.927 2.561 -8.847 303 HB2 LYS 39 HB3 LYS 39 12.301 2.996 -8.230 304 HB3 LYS 39 HB2 LYS 39 12.051 2.119 -6.731 305 HG2 LYS 39 HG3 LYS 39 13.057 1.095 -9.058 306 HG3 LYS 39 HG2 LYS 39 12.311 0.120 -7.771 307 HD2 LYS 39 HD3 LYS 39 11.339 -0.506 -9.944 308 HD3 LYS 39 HD2 LYS 39 10.161 0.254 -8.905 309 HE2 LYS 39 HE3 LYS 39 10.728 2.445 -10.049 310 HE3 LYS 39 HE2 LYS 39 11.505 1.432 -11.262 311 HZ1 LYS 39 HZ1 LYS 39 9.525 0.636 -12.030 312 HZ2 LYS 39 HZ2 LYS 39 9.010 2.146 -11.430 313 HZ3 LYS 39 HZ3 LYS 39 8.766 0.724 -10.520 314 H THR 40 H THR 40 11.025 0.895 -5.999 315 HA THR 40 HA THR 40 8.460 0.029 -5.209 316 HB THR 40 HB THR 40 8.959 -2.239 -4.982 317 HG1 THR 40 HG1 THR 40 10.439 -3.434 -5.886 318 HG21 THR 40 HG21 THR 40 8.637 -1.997 -7.733 319 HG22 THR 40 HG22 THR 40 8.923 -2.834 -6.522 320 HG23 THR 40 HG23 THR 40 7.532 -2.852 -6.219 321 H GLY 41 H GLY 41 8.396 0.418 -3.439 322 HA2 GLY 41 HA3 GLY 41 8.850 0.417 -1.169 323 HA3 GLY 41 HA2 GLY 41 9.530 -1.207 -1.495 324 H GLN 42 H GLN 42 10.769 1.832 -2.795 325 HA GLN 42 HA GLN 42 13.323 1.287 -1.486 326 HB2 GLN 42 HB3 GLN 42 13.828 3.317 -3.240 327 HB3 GLN 42 HB2 GLN 42 14.036 1.603 -3.560 328 HG2 GLN 42 HG3 GLN 42 12.843 2.810 -5.355 329 HG3 GLN 42 HG2 GLN 42 11.910 1.499 -4.652 330 HE21 GLN 42 HE21 GLN 42 9.846 2.005 -4.637 331 HE22 GLN 42 HE22 GLN 42 9.203 3.516 -4.145 332 H ALA 43 H ALA 43 11.357 2.294 0.186 333 HA ALA 43 HA ALA 43 11.173 5.062 0.394 334 HB1 ALA 43 HB1 ALA 43 11.271 4.205 3.052 335 HB2 ALA 43 HB2 ALA 43 10.759 2.749 2.146 336 HB3 ALA 43 HB3 ALA 43 9.834 4.294 2.033 337 HA PRO 44 HA PRO 44 15.019 6.498 2.014 338 HB2 PRO 44 HB3 PRO 44 14.405 8.188 4.017 339 HB3 PRO 44 HB2 PRO 44 13.928 8.486 2.371 340 HG2 PRO 44 HG3 PRO 44 12.342 7.347 4.636 341 HG3 PRO 44 HG2 PRO 44 11.830 8.549 3.430 342 HD2 PRO 44 HD3 PRO 44 11.205 5.895 3.225 343 HD3 PRO 44 HD2 PRO 44 11.328 6.983 1.829 344 H GLY 45 H GLY 45 14.146 7.045 5.250 345 HA2 GLY 45 HA3 GLY 45 16.155 5.271 6.236 346 HA3 GLY 45 HA2 GLY 45 15.018 6.192 7.228 347 H PHE 46 H PHE 46 13.297 4.407 4.983 348 HA PHE 46 HA PHE 46 12.395 2.592 7.029 349 HB2 PHE 46 HB3 PHE 46 10.761 3.624 5.520 350 HB3 PHE 46 HB2 PHE 46 11.598 2.888 4.140 351 HD1 PHE 46 HD1 PHE 46 9.770 2.106 7.299 352 HD2 PHE 46 HD2 PHE 46 10.943 0.729 3.450 353 HE1 PHE 46 HE1 PHE 46 8.285 0.161 7.535 354 HE2 PHE 46 HE2 PHE 46 9.458 -1.230 3.704 355 HZ PHE 46 HZ PHE 46 8.143 -1.514 5.735 356 H THR 47 H THR 47 12.820 0.459 7.221 357 HA THR 47 HA THR 47 14.974 -0.623 5.712 358 HB THR 47 HB THR 47 14.029 -1.010 8.250 359 HG1 THR 47 HG1 THR 47 15.714 -2.552 8.364 360 HG21 THR 47 HG21 THR 47 13.715 -3.487 8.347 361 HG22 THR 47 HG22 THR 47 13.415 -3.445 6.604 362 HG23 THR 47 HG23 THR 47 12.364 -2.555 7.725 363 H TYR 48 H TYR 48 14.452 -1.105 3.687 364 HA TYR 48 HA TYR 48 11.966 -2.262 2.919 365 HB2 TYR 48 HB3 TYR 48 13.876 -2.724 0.869 366 HB3 TYR 48 HB2 TYR 48 12.621 -1.461 0.881 367 HD1 TYR 48 HD1 TYR 48 16.044 -2.099 2.285 368 HD2 TYR 48 HD2 TYR 48 13.240 0.754 0.790 369 HE1 TYR 48 HE1 TYR 48 17.766 -0.347 2.337 370 HE2 TYR 48 HE2 TYR 48 14.981 2.494 0.864 371 HH TYR 48 HH TYR 48 18.089 2.003 2.397 372 H THR 49 H THR 49 11.660 -4.283 1.801 373 HA THR 49 HA THR 49 12.945 -6.456 3.233 374 HB THR 49 HB THR 49 11.308 -7.884 2.158 375 HG1 THR 49 HG1 THR 49 9.881 -6.793 0.540 376 HG21 THR 49 HG21 THR 49 9.445 -5.709 2.300 377 HG22 THR 49 HG22 THR 49 10.511 -5.740 3.705 378 HG23 THR 49 HG23 THR 49 9.564 -7.158 3.285 379 H ASP 50 H ASP 50 13.605 -8.467 1.820 380 HA ASP 50 HA ASP 50 15.887 -7.778 0.401 381 HB2 ASP 50 HB3 ASP 50 15.875 -10.011 1.043 382 HB3 ASP 50 HB2 ASP 50 14.184 -10.262 0.623 383 H ALA 51 H ALA 51 12.581 -8.237 -0.695 384 HA ALA 51 HA ALA 51 13.132 -8.178 -3.522 385 HB1 ALA 51 HB1 ALA 51 11.007 -8.802 -3.650 386 HB2 ALA 51 HB2 ALA 51 10.516 -7.241 -2.959 387 HB3 ALA 51 HB3 ALA 51 10.853 -8.582 -1.907 388 H ASN 52 H ASN 52 12.040 -5.701 -1.178 389 HA ASN 52 HA ASN 52 11.744 -3.586 -2.996 390 HB2 ASN 52 HB3 ASN 52 12.445 -3.564 -0.042 391 HB3 ASN 52 HB2 ASN 52 11.972 -2.127 -0.972 392 HD21 ASN 52 HD21 ASN 52 10.179 -4.193 -2.450 393 HD22 ASN 52 HD22 ASN 52 8.771 -4.251 -1.450 394 H LYS 53 H LYS 53 14.523 -4.637 -1.073 395 HA LYS 53 HA LYS 53 16.271 -2.538 -1.764 396 HB2 LYS 53 HB3 LYS 53 18.106 -4.275 -1.256 397 HB3 LYS 53 HB2 LYS 53 16.944 -3.934 0.077 398 HG2 LYS 53 HG3 LYS 53 15.802 -6.003 -0.391 399 HG3 LYS 53 HG2 LYS 53 16.719 -6.275 -1.897 400 HD2 LYS 53 HD3 LYS 53 17.884 -7.626 -0.409 401 HD3 LYS 53 HD2 LYS 53 18.766 -6.120 -0.155 402 HE2 LYS 53 HE3 LYS 53 18.218 -6.189 1.999 403 HE3 LYS 53 HE2 LYS 53 16.505 -6.096 1.608 404 HZ1 LYS 53 HZ1 LYS 53 18.006 -8.321 2.533 405 HZ2 LYS 53 HZ2 LYS 53 17.154 -8.733 1.129 406 HZ3 LYS 53 HZ3 LYS 53 16.330 -8.098 2.465 407 H ASN 54 H ASN 54 15.289 -5.447 -3.407 408 HA ASN 54 HA ASN 54 17.330 -5.350 -5.428 409 HB2 ASN 54 HB3 ASN 54 14.697 -6.809 -5.410 410 HB3 ASN 54 HB2 ASN 54 16.035 -7.092 -6.567 411 HD21 ASN 54 HD21 ASN 54 17.384 -6.367 -3.659 412 HD22 ASN 54 HD22 ASN 54 17.623 -7.958 -3.059 413 H LYS 55 H LYS 55 14.445 -3.695 -4.855 414 HA LYS 55 HA LYS 55 13.418 -2.004 -5.948 415 HB2 LYS 55 HB3 LYS 55 15.689 -2.454 -7.839 416 HB3 LYS 55 HB2 LYS 55 14.456 -1.278 -8.211 417 HG2 LYS 55 HG3 LYS 55 15.271 0.211 -6.760 418 HG3 LYS 55 HG2 LYS 55 15.596 -1.029 -5.509 419 HD2 LYS 55 HD3 LYS 55 17.289 -0.159 -7.851 420 HD3 LYS 55 HD2 LYS 55 17.679 -0.135 -6.104 421 HE2 LYS 55 HE3 LYS 55 17.302 -2.774 -6.294 422 HE3 LYS 55 HE2 LYS 55 17.606 -2.496 -8.038 423 HZ1 LYS 55 HZ1 LYS 55 19.658 -2.956 -7.129 424 HZ2 LYS 55 HZ2 LYS 55 19.435 -2.043 -5.762 425 HZ3 LYS 55 HZ3 LYS 55 19.668 -1.282 -7.220 426 H GLY 56 H GLY 56 11.923 -4.059 -6.055 427 HA2 GLY 56 HA3 GLY 56 11.501 -5.532 -8.366 428 HA3 GLY 56 HA2 GLY 56 10.248 -5.122 -7.205 429 H ILE 57 H ILE 57 8.670 -3.753 -7.782 430 HA ILE 57 HA ILE 57 9.197 -1.926 -9.965 431 HB ILE 57 HB ILE 57 8.018 -4.322 -10.587 432 HG12 ILE 57 HG13 ILE 57 8.936 -3.148 -12.349 433 HG13 ILE 57 HG12 ILE 57 7.204 -2.800 -12.612 434 HG21 ILE 57 HG21 ILE 57 5.968 -3.951 -9.564 435 HG22 ILE 57 HG22 ILE 57 5.690 -3.561 -11.266 436 HG23 ILE 57 HG23 ILE 57 5.879 -2.263 -10.088 437 HD11 ILE 57 HD11 ILE 57 7.456 -0.673 -12.103 438 HD12 ILE 57 HD12 ILE 57 9.094 -0.932 -12.563 439 HD13 ILE 57 HD13 ILE 57 8.678 -0.957 -10.846 440 H THR 58 H THR 58 7.183 -0.531 -10.403 441 HA THR 58 HA THR 58 6.332 0.514 -7.879 442 HB THR 58 HB THR 58 6.767 1.607 -10.489 443 HG1 THR 58 HG1 THR 58 6.287 3.589 -9.375 444 HG21 THR 58 HG21 THR 58 4.410 1.090 -11.035 445 HG22 THR 58 HG22 THR 58 4.774 2.788 -10.999 446 HG23 THR 58 HG23 THR 58 3.905 2.076 -9.673 447 H TRP 59 H TRP 59 4.632 -0.256 -6.867 448 HA TRP 59 HA TRP 59 2.712 -1.942 -8.042 449 HB2 TRP 59 HB3 TRP 59 2.007 -0.548 -5.517 450 HB3 TRP 59 HB2 TRP 59 1.989 -2.282 -5.873 451 HD1 TRP 59 HD1 TRP 59 4.457 0.573 -4.834 452 HE1 TRP 59 HE1 TRP 59 6.495 -0.551 -3.733 453 HE3 TRP 59 HE3 TRP 59 3.271 -4.378 -5.619 454 HZ2 TRP 59 HZ2 TRP 59 7.502 -3.185 -3.265 455 HZ3 TRP 59 HZ3 TRP 59 4.849 -6.103 -4.826 456 HH2 TRP 59 HH2 TRP 59 6.907 -5.508 -3.654 457 H LYS 60 H LYS 60 1.276 -1.232 -9.457 458 HA LYS 60 HA LYS 60 0.059 1.408 -9.189 459 HB2 LYS 60 HB3 LYS 60 0.396 1.577 -11.351 460 HB3 LYS 60 HB2 LYS 60 0.991 -0.089 -11.443 461 HG2 LYS 60 HG3 LYS 60 -0.732 -0.368 -12.822 462 HG3 LYS 60 HG2 LYS 60 -1.697 -0.551 -11.317 463 HD2 LYS 60 HD3 LYS 60 -2.793 1.405 -11.694 464 HD3 LYS 60 HD2 LYS 60 -1.313 2.192 -12.238 465 HE2 LYS 60 HE3 LYS 60 -1.994 0.330 -14.178 466 HE3 LYS 60 HE2 LYS 60 -3.436 1.207 -13.771 467 HZ1 LYS 60 HZ1 LYS 60 -1.498 2.069 -15.498 468 HZ2 LYS 60 HZ2 LYS 60 -1.171 2.912 -14.057 469 HZ3 LYS 60 HZ3 LYS 60 -2.676 3.040 -14.753 470 H GLU 61 H GLU 61 -2.292 1.471 -10.039 471 HA GLU 61 HA GLU 61 -3.884 -0.029 -8.256 472 HB2 GLU 61 HB3 GLU 61 -4.252 2.185 -9.927 473 HB3 GLU 61 HB2 GLU 61 -5.353 0.936 -10.610 474 HG2 GLU 61 HG3 GLU 61 -5.648 0.922 -7.804 475 HG3 GLU 61 HG2 GLU 61 -5.761 2.588 -8.342 476 H GLU 62 H GLU 62 -3.689 -0.247 -11.855 477 HA GLU 62 HA GLU 62 -5.288 -2.561 -12.074 478 HB2 GLU 62 HB3 GLU 62 -4.784 -2.453 -14.333 479 HB3 GLU 62 HB2 GLU 62 -4.390 -0.818 -13.843 480 HG2 GLU 62 HG3 GLU 62 -2.045 -1.487 -13.689 481 HG3 GLU 62 HG2 GLU 62 -2.452 -3.054 -14.231 482 H THR 63 H THR 63 -1.738 -2.157 -11.817 483 HA THR 63 HA THR 63 -1.078 -4.868 -12.203 484 HB THR 63 HB THR 63 0.302 -2.490 -11.704 485 HG1 THR 63 HG1 THR 63 1.625 -3.513 -12.919 486 HG21 THR 63 HG21 THR 63 1.829 -2.821 -9.985 487 HG22 THR 63 HG22 THR 63 1.493 -4.566 -9.973 488 HG23 THR 63 HG23 THR 63 0.331 -3.447 -9.322 489 H LEU 64 H LEU 64 -2.190 -3.070 -9.474 490 HA LEU 64 HA LEU 64 -1.452 -4.980 -7.492 491 HB2 LEU 64 HB3 LEU 64 -2.914 -2.494 -7.604 492 HB3 LEU 64 HB2 LEU 64 -3.613 -3.581 -6.475 493 HG LEU 64 HG LEU 64 -0.763 -2.588 -6.465 494 HD11 LEU 64 HD11 LEU 64 -1.844 -0.836 -5.523 495 HD12 LEU 64 HD12 LEU 64 -1.763 -1.872 -4.097 496 HD13 LEU 64 HD13 LEU 64 -3.241 -1.805 -5.055 497 HD21 LEU 64 HD21 LEU 64 -0.507 -3.857 -4.408 498 HD22 LEU 64 HD22 LEU 64 -1.014 -4.946 -5.699 499 HD23 LEU 64 HD23 LEU 64 -2.151 -4.456 -4.492 500 H MET 65 H MET 65 -4.295 -4.451 -9.495 501 HA MET 65 HA MET 65 -6.078 -6.157 -8.196 502 HB2 MET 65 HB3 MET 65 -5.806 -5.331 -11.084 503 HB3 MET 65 HB2 MET 65 -7.119 -6.336 -10.544 504 HG2 MET 65 HG3 MET 65 -6.516 -3.513 -9.738 505 HG3 MET 65 HG2 MET 65 -7.925 -4.112 -10.627 506 HE1 MET 65 HE1 MET 65 -6.462 -3.036 -7.416 507 HE2 MET 65 HE2 MET 65 -6.023 -4.748 -7.158 508 HE3 MET 65 HE3 MET 65 -7.225 -3.980 -6.111 509 H GLU 66 H GLU 66 -3.671 -6.797 -10.706 510 HA GLU 66 HA GLU 66 -4.333 -9.592 -10.879 511 HB2 GLU 66 HB3 GLU 66 -2.106 -9.654 -12.196 512 HB3 GLU 66 HB2 GLU 66 -3.455 -8.736 -12.901 513 HG2 GLU 66 HG3 GLU 66 -2.541 -6.652 -12.115 514 HG3 GLU 66 HG2 GLU 66 -1.224 -7.494 -11.296 515 H TYR 67 H TYR 67 -1.918 -7.602 -9.292 516 HA TYR 67 HA TYR 67 -0.224 -9.676 -8.409 517 HB2 TYR 67 HB3 TYR 67 0.811 -7.630 -8.065 518 HB3 TYR 67 HB2 TYR 67 -0.769 -6.855 -7.653 519 HD1 TYR 67 HD1 TYR 67 2.166 -8.582 -6.359 520 HD2 TYR 67 HD2 TYR 67 -1.640 -6.960 -5.348 521 HE1 TYR 67 HE1 TYR 67 2.782 -8.675 -3.971 522 HE2 TYR 67 HE2 TYR 67 -1.062 -7.041 -2.958 523 HH TYR 67 HH TYR 67 0.762 -7.200 -1.508 524 H LEU 68 H LEU 68 -3.379 -8.647 -7.335 525 HA LEU 68 HA LEU 68 -3.319 -9.535 -4.670 526 HB2 LEU 68 HB3 LEU 68 -5.490 -9.150 -6.729 527 HB3 LEU 68 HB2 LEU 68 -5.854 -9.843 -5.127 528 HG LEU 68 HG LEU 68 -4.555 -7.136 -5.568 529 HD11 LEU 68 HD11 LEU 68 -6.703 -6.129 -5.163 530 HD12 LEU 68 HD12 LEU 68 -7.456 -7.734 -4.817 531 HD13 LEU 68 HD13 LEU 68 -6.886 -7.307 -6.465 532 HD21 LEU 68 HD21 LEU 68 -4.041 -8.155 -3.435 533 HD22 LEU 68 HD22 LEU 68 -5.747 -8.484 -3.113 534 HD23 LEU 68 HD23 LEU 68 -5.187 -6.841 -3.195 535 H GLU 69 H GLU 69 -3.204 -11.302 -7.600 536 HA GLU 69 HA GLU 69 -4.550 -13.665 -6.922 537 HB2 GLU 69 HB3 GLU 69 -3.159 -12.710 -9.129 538 HB3 GLU 69 HB2 GLU 69 -2.125 -14.019 -8.518 539 HG2 GLU 69 HG3 GLU 69 -4.022 -15.598 -8.638 540 HG3 GLU 69 HG2 GLU 69 -5.083 -14.277 -9.165 541 H ASN 70 H ASN 70 -0.990 -13.573 -7.264 542 HA ASN 70 HA ASN 70 -0.847 -15.146 -4.748 543 HB2 ASN 70 HB3 ASN 70 0.561 -15.423 -7.403 544 HB3 ASN 70 HB2 ASN 70 1.381 -15.927 -5.861 545 HD21 ASN 70 HD21 ASN 70 -0.964 -16.712 -8.240 546 HD22 ASN 70 HD22 ASN 70 -1.499 -18.190 -7.513 547 HA PRO 71 HA PRO 71 1.242 -11.159 -3.674 548 HB2 PRO 71 HB3 PRO 71 1.215 -12.657 -1.094 549 HB3 PRO 71 HB2 PRO 71 0.770 -10.964 -1.422 550 HG2 PRO 71 HG3 PRO 71 -1.137 -12.770 -0.995 551 HG3 PRO 71 HG2 PRO 71 -1.313 -11.505 -2.213 552 HD2 PRO 71 HD3 PRO 71 -0.704 -14.413 -2.553 553 HD3 PRO 71 HD2 PRO 71 -1.710 -13.347 -3.581 554 H LYS 72 H LYS 72 2.126 -14.475 -2.935 555 HA LYS 72 HA LYS 72 4.842 -13.820 -2.307 556 HB2 LYS 72 HB3 LYS 72 4.818 -15.874 -1.391 557 HB3 LYS 72 HB2 LYS 72 3.177 -16.033 -1.931 558 HG2 LYS 72 HG3 LYS 72 4.157 -17.912 -2.831 559 HG3 LYS 72 HG2 LYS 72 4.397 -16.754 -4.177 560 HD2 LYS 72 HD3 LYS 72 6.594 -16.477 -2.347 561 HD3 LYS 72 HD2 LYS 72 6.393 -18.177 -2.780 562 HE2 LYS 72 HE3 LYS 72 6.070 -16.730 -5.169 563 HE3 LYS 72 HE2 LYS 72 7.447 -16.017 -4.333 564 HZ1 LYS 72 HZ1 LYS 72 8.408 -18.231 -4.173 565 HZ2 LYS 72 HZ2 LYS 72 8.050 -17.845 -5.810 566 HZ3 LYS 72 HZ3 LYS 72 7.047 -18.910 -4.916 567 H LYS 73 H LYS 73 3.056 -14.579 -5.132 568 HA LYS 73 HA LYS 73 5.245 -15.521 -6.727 569 HB2 LYS 73 HB3 LYS 73 3.740 -15.578 -8.502 570 HB3 LYS 73 HB2 LYS 73 2.630 -15.694 -7.091 571 HG2 LYS 73 HG3 LYS 73 1.543 -14.111 -8.204 572 HG3 LYS 73 HG2 LYS 73 2.696 -13.042 -7.441 573 HD2 LYS 73 HD3 LYS 73 2.334 -12.718 -9.948 574 HD3 LYS 73 HD2 LYS 73 4.052 -12.859 -9.377 575 HE2 LYS 73 HE3 LYS 73 3.488 -14.220 -11.413 576 HE3 LYS 73 HE2 LYS 73 4.238 -15.104 -10.083 577 HZ1 LYS 73 HZ1 LYS 73 1.865 -15.726 -9.431 578 HZ2 LYS 73 HZ2 LYS 73 2.470 -16.417 -10.827 579 HZ3 LYS 73 HZ3 LYS 73 1.416 -15.118 -10.959 580 H TYR 74 H TYR 74 3.968 -12.356 -5.924 581 HA TYR 74 HA TYR 74 5.511 -11.012 -7.977 582 HB2 TYR 74 HB3 TYR 74 3.571 -10.239 -5.880 583 HB3 TYR 74 HB2 TYR 74 4.741 -9.013 -6.301 584 HD1 TYR 74 HD1 TYR 74 2.286 -11.303 -7.844 585 HD2 TYR 74 HD2 TYR 74 4.403 -7.633 -8.180 586 HE1 TYR 74 HE1 TYR 74 0.896 -10.672 -9.818 587 HE2 TYR 74 HE2 TYR 74 3.077 -7.003 -10.153 588 HH TYR 74 HH TYR 74 0.854 -9.242 -11.644 589 H ILE 75 H ILE 75 5.721 -11.423 -4.460 590 HA ILE 75 HA ILE 75 8.549 -10.681 -4.639 591 HB ILE 75 HB ILE 75 6.510 -9.684 -2.605 592 HG12 ILE 75 HG13 ILE 75 6.586 -8.170 -4.370 593 HG13 ILE 75 HG12 ILE 75 7.793 -7.524 -3.234 594 HG21 ILE 75 HG21 ILE 75 8.525 -8.675 -1.487 595 HG22 ILE 75 HG22 ILE 75 9.507 -9.781 -2.407 596 HG23 ILE 75 HG23 ILE 75 8.336 -10.417 -1.273 597 HD11 ILE 75 HD11 ILE 75 9.084 -7.400 -5.030 598 HD12 ILE 75 HD12 ILE 75 8.136 -8.553 -5.920 599 HD13 ILE 75 HD13 ILE 75 9.360 -9.118 -4.785 600 HA PRO 76 HA PRO 76 8.023 -14.877 -2.688 601 HB2 PRO 76 HB3 PRO 76 10.695 -15.110 -3.898 602 HB3 PRO 76 HB2 PRO 76 9.343 -16.211 -3.966 603 HG2 PRO 76 HG3 PRO 76 10.029 -14.703 -6.131 604 HG3 PRO 76 HG2 PRO 76 8.354 -15.056 -5.727 605 HD2 PRO 76 HD3 PRO 76 9.942 -12.594 -5.276 606 HD3 PRO 76 HD2 PRO 76 8.231 -12.727 -5.810 607 H GLY 77 H GLY 77 8.630 -15.319 -0.667 608 HA2 GLY 77 HA3 GLY 77 10.370 -15.576 0.943 609 HA3 GLY 77 HA2 GLY 77 11.150 -14.143 0.303 610 H THR 78 H THR 78 8.293 -12.947 0.158 611 HA THR 78 HA THR 78 8.383 -11.907 2.898 612 HB THR 78 HB THR 78 8.212 -10.612 0.513 613 HG1 THR 78 HG1 THR 78 7.262 -9.629 2.980 614 HG21 THR 78 HG21 THR 78 5.771 -11.389 0.455 615 HG22 THR 78 HG22 THR 78 6.120 -9.669 0.152 616 HG23 THR 78 HG23 THR 78 5.515 -10.245 1.736 617 H LYS 79 H LYS 79 6.855 -12.409 4.321 618 HA LYS 79 HA LYS 79 4.445 -13.789 3.418 619 HB2 LYS 79 HB3 LYS 79 6.182 -14.837 5.102 620 HB3 LYS 79 HB2 LYS 79 5.354 -13.784 6.248 621 HG2 LYS 79 HG3 LYS 79 4.560 -16.229 5.927 622 HG3 LYS 79 HG2 LYS 79 3.360 -14.980 6.131 623 HD2 LYS 79 HD3 LYS 79 2.862 -16.546 4.289 624 HD3 LYS 79 HD2 LYS 79 2.986 -14.865 3.748 625 HE2 LYS 79 HE3 LYS 79 4.115 -16.521 2.271 626 HE3 LYS 79 HE2 LYS 79 5.180 -15.307 2.873 627 HZ1 LYS 79 HZ1 LYS 79 6.103 -17.623 2.935 628 HZ2 LYS 79 HZ2 LYS 79 4.879 -18.027 4.023 629 HZ3 LYS 79 HZ3 LYS 79 6.047 -16.842 4.445 630 H MET 80 H MET 80 2.443 -13.066 4.083 631 HA MET 80 HA MET 80 2.442 -10.463 5.396 632 HB2 MET 80 HB3 MET 80 1.334 -10.807 3.125 633 HB3 MET 80 HB2 MET 80 0.115 -11.665 3.983 634 HG2 MET 80 HG3 MET 80 -0.844 -9.599 3.933 635 HG3 MET 80 HG2 MET 80 0.075 -9.471 5.425 636 HE1 MET 80 HE1 MET 80 2.120 -9.562 2.133 637 HE2 MET 80 HE2 MET 80 1.957 -7.939 1.545 638 HE3 MET 80 HE3 MET 80 0.548 -9.012 1.552 639 H ILE 81 H ILE 81 2.139 -10.507 7.101 640 HA ILE 81 HA ILE 81 0.343 -12.563 8.598 641 HB ILE 81 HB ILE 81 2.333 -10.660 9.942 642 HG12 ILE 81 HG13 ILE 81 3.230 -13.148 10.449 643 HG13 ILE 81 HG12 ILE 81 2.338 -13.499 9.009 644 HG21 ILE 81 HG21 ILE 81 1.303 -12.943 11.517 645 HG22 ILE 81 HG22 ILE 81 0.208 -11.575 11.293 646 HG23 ILE 81 HG23 ILE 81 1.769 -11.286 12.019 647 HD11 ILE 81 HD11 ILE 81 4.386 -13.074 8.100 648 HD12 ILE 81 HD12 ILE 81 4.782 -11.834 9.335 649 HD13 ILE 81 HD13 ILE 81 3.616 -11.452 8.071 650 H PHE 82 H PHE 82 -1.636 -11.963 9.736 651 HA PHE 82 HA PHE 82 -3.167 -10.623 10.869 652 HB2 PHE 82 HB3 PHE 82 -1.050 -9.199 11.426 653 HB3 PHE 82 HB2 PHE 82 -1.699 -8.113 10.138 654 HD1 PHE 82 HD1 PHE 82 -2.303 -9.466 13.489 655 HD2 PHE 82 HD2 PHE 82 -3.711 -6.860 10.506 656 HE1 PHE 82 HE1 PHE 82 -3.848 -8.467 15.118 657 HE2 PHE 82 HE2 PHE 82 -5.274 -5.784 12.062 658 HZ PHE 82 HZ PHE 82 -5.317 -6.600 14.419 659 H ALA 83 H ALA 83 -4.859 -8.979 10.278 660 HA ALA 83 HA ALA 83 -5.390 -7.529 8.170 661 HB1 ALA 83 HB1 ALA 83 -6.130 -9.331 6.386 662 HB2 ALA 83 HB2 ALA 83 -4.813 -10.270 7.149 663 HB3 ALA 83 HB3 ALA 83 -4.466 -8.717 6.433 664 H GLY 84 H GLY 84 -7.057 -7.121 9.601 665 HA2 GLY 84 HA3 GLY 84 -9.107 -9.070 10.148 666 HA3 GLY 84 HA2 GLY 84 -9.111 -7.405 10.677 667 H ILE 85 H ILE 85 -8.500 -7.844 7.344 668 HA ILE 85 HA ILE 85 -11.306 -7.493 6.650 669 HB ILE 85 HB ILE 85 -9.014 -5.894 5.561 670 HG12 ILE 85 HG13 ILE 85 -10.538 -5.487 7.815 671 HG13 ILE 85 HG12 ILE 85 -9.561 -4.287 6.973 672 HG21 ILE 85 HG21 ILE 85 -11.936 -5.818 4.811 673 HG22 ILE 85 HG22 ILE 85 -10.673 -6.489 3.795 674 HG23 ILE 85 HG23 ILE 85 -10.690 -4.757 4.206 675 HD11 ILE 85 HD11 ILE 85 -11.689 -3.950 5.534 676 HD12 ILE 85 HD12 ILE 85 -11.596 -3.247 7.144 677 HD13 ILE 85 HD13 ILE 85 -12.533 -4.721 6.894 678 H LYS 86 H LYS 86 -11.945 -8.327 4.635 679 HA LYS 86 HA LYS 86 -9.972 -9.588 2.919 680 HB2 LYS 86 HB3 LYS 86 -11.619 -11.683 2.994 681 HB3 LYS 86 HB2 LYS 86 -10.236 -11.496 4.123 682 HG2 LYS 86 HG3 LYS 86 -12.499 -10.204 5.278 683 HG3 LYS 86 HG2 LYS 86 -12.981 -11.801 4.715 684 HD2 LYS 86 HD3 LYS 86 -11.545 -12.871 6.169 685 HD3 LYS 86 HD2 LYS 86 -10.443 -11.497 6.294 686 HE2 LYS 86 HE3 LYS 86 -12.533 -10.367 7.403 687 HE3 LYS 86 HE2 LYS 86 -13.006 -12.063 7.720 688 HZ1 LYS 86 HZ1 LYS 86 -10.317 -11.001 8.402 689 HZ2 LYS 86 HZ2 LYS 86 -11.089 -12.370 8.993 690 HZ3 LYS 86 HZ3 LYS 86 -11.590 -10.799 9.463 691 H LYS 87 H LYS 87 -13.358 -8.909 3.630 692 HA LYS 87 HA LYS 87 -14.702 -9.480 1.420 693 HB2 LYS 87 HB3 LYS 87 -14.997 -7.587 3.449 694 HB3 LYS 87 HB2 LYS 87 -15.196 -6.691 1.985 695 HG2 LYS 87 HG3 LYS 87 -17.288 -7.404 1.885 696 HG3 LYS 87 HG2 LYS 87 -16.682 -9.059 1.613 697 HD2 LYS 87 HD3 LYS 87 -16.496 -9.160 4.158 698 HD3 LYS 87 HD2 LYS 87 -17.451 -7.677 4.198 699 HE2 LYS 87 HE3 LYS 87 -18.781 -9.779 4.454 700 HE3 LYS 87 HE2 LYS 87 -19.296 -8.771 3.108 701 HZ1 LYS 87 HZ1 LYS 87 -19.023 -11.300 2.735 702 HZ2 LYS 87 HZ2 LYS 87 -17.379 -10.954 2.635 703 HZ3 LYS 87 HZ3 LYS 87 -18.511 -10.219 1.548 704 H LYS 88 H LYS 88 -14.269 -9.339 -0.672 705 HA LYS 88 HA LYS 88 -12.196 -7.960 -1.853 706 HB2 LYS 88 HB3 LYS 88 -13.366 -9.743 -3.032 707 HB3 LYS 88 HB2 LYS 88 -14.854 -8.746 -3.080 708 HG2 LYS 88 HG3 LYS 88 -13.835 -7.265 -4.662 709 HG3 LYS 88 HG2 LYS 88 -12.226 -7.933 -4.393 710 HD2 LYS 88 HD3 LYS 88 -14.450 -8.858 -6.101 711 HD3 LYS 88 HD2 LYS 88 -12.747 -9.093 -6.293 712 HE2 LYS 88 HE3 LYS 88 -13.688 -11.270 -5.892 713 HE3 LYS 88 HE2 LYS 88 -12.765 -10.779 -4.467 714 HZ1 LYS 88 HZ1 LYS 88 -15.409 -11.561 -4.586 715 HZ2 LYS 88 HZ2 LYS 88 -15.452 -9.916 -4.224 716 HZ3 LYS 88 HZ3 LYS 88 -14.593 -10.989 -3.228 717 H THR 89 H THR 89 -15.509 -6.927 -1.267 718 HA THR 89 HA THR 89 -15.372 -4.480 -2.755 719 HB THR 89 HB THR 89 -17.468 -4.016 -1.963 720 HG1 THR 89 HG1 THR 89 -17.346 -3.797 0.158 721 HG21 THR 89 HG21 THR 89 -17.361 -6.975 -1.346 722 HG22 THR 89 HG22 THR 89 -17.413 -6.297 -2.971 723 HG23 THR 89 HG23 THR 89 -18.750 -6.007 -1.858 724 H GLU 90 H GLU 90 -14.479 -5.407 0.531 725 HA GLU 90 HA GLU 90 -14.259 -2.738 1.551 726 HB2 GLU 90 HB3 GLU 90 -13.015 -5.276 2.571 727 HB3 GLU 90 HB2 GLU 90 -13.205 -3.769 3.457 728 HG2 GLU 90 HG3 GLU 90 -15.651 -4.940 2.383 729 HG3 GLU 90 HG2 GLU 90 -14.897 -5.849 3.635 730 H ARG 91 H ARG 91 -11.993 -5.182 0.363 731 HA ARG 91 HA ARG 91 -9.599 -3.714 0.722 732 HB2 ARG 91 HB3 ARG 91 -10.154 -5.911 -1.223 733 HB3 ARG 91 HB2 ARG 91 -8.583 -5.103 -1.049 734 HG2 ARG 91 HG3 ARG 91 -9.074 -5.754 1.531 735 HG3 ARG 91 HG2 ARG 91 -9.841 -7.122 0.657 736 HD2 ARG 91 HD3 ARG 91 -7.197 -6.925 -0.573 737 HD3 ARG 91 HD2 ARG 91 -7.089 -6.646 1.163 738 HE ARG 91 HE ARG 91 -8.427 -8.767 1.141 739 HH11 ARG 91 HH11 ARG 91 -6.023 -7.812 -1.155 740 HH12 ARG 91 HH12 ARG 91 -5.506 -9.431 -1.488 741 HH21 ARG 91 HH21 ARG 91 -7.763 -10.943 0.723 742 HH22 ARG 91 HH22 ARG 91 -6.523 -11.205 -0.453 743 H GLU 92 H GLU 92 -11.626 -4.184 -2.184 744 HA GLU 92 HA GLU 92 -10.173 -2.516 -3.887 745 HB2 GLU 92 HB3 GLU 92 -12.032 -4.095 -4.539 746 HB3 GLU 92 HB2 GLU 92 -13.143 -2.907 -3.990 747 HG2 GLU 92 HG3 GLU 92 -12.964 -2.748 -6.387 748 HG3 GLU 92 HG2 GLU 92 -12.221 -1.325 -5.641 749 H ASP 93 H ASP 93 -12.739 -1.734 -1.652 750 HA ASP 93 HA ASP 93 -13.191 0.904 -2.394 751 HB2 ASP 93 HB3 ASP 93 -14.752 -0.063 -0.899 752 HB3 ASP 93 HB2 ASP 93 -13.524 -0.513 0.244 753 H GLY 94 H GLY 94 -10.949 -0.464 -0.002 754 HA2 GLY 94 HA3 GLY 94 -9.877 1.977 0.938 755 HA3 GLY 94 HA2 GLY 94 -9.046 0.439 0.957 756 H ILE 95 H ILE 95 -9.081 -0.021 -1.896 757 HA ILE 95 HA ILE 95 -6.675 1.225 -2.608 758 HB ILE 95 HB ILE 95 -8.662 -0.444 -3.974 759 HG12 ILE 95 HG13 ILE 95 -5.663 -0.434 -3.652 760 HG13 ILE 95 HG12 ILE 95 -6.835 -1.534 -2.867 761 HG21 ILE 95 HG21 ILE 95 -8.526 0.586 -5.975 762 HG22 ILE 95 HG22 ILE 95 -6.844 0.062 -6.028 763 HG23 ILE 95 HG23 ILE 95 -7.247 1.673 -5.361 764 HD11 ILE 95 HD11 ILE 95 -6.511 -1.492 -5.816 765 HD12 ILE 95 HD12 ILE 95 -7.250 -2.701 -4.797 766 HD13 ILE 95 HD13 ILE 95 -5.482 -2.471 -4.798 767 H ALA 96 H ALA 96 -10.025 2.079 -3.409 768 HA ALA 96 HA ALA 96 -9.571 4.063 -5.296 769 HB1 ALA 96 HB1 ALA 96 -11.807 3.187 -4.840 770 HB2 ALA 96 HB2 ALA 96 -11.780 4.935 -4.602 771 HB3 ALA 96 HB3 ALA 96 -11.767 3.854 -3.208 772 H TYR 97 H TYR 97 -9.817 4.326 -1.766 773 HA TYR 97 HA TYR 97 -9.388 7.068 -1.596 774 HB2 TYR 97 HB3 TYR 97 -10.207 5.966 0.342 775 HB3 TYR 97 HB2 TYR 97 -8.893 4.797 0.327 776 HD1 TYR 97 HD1 TYR 97 -7.967 5.110 2.450 777 HD2 TYR 97 HD2 TYR 97 -8.639 8.486 -0.033 778 HE1 TYR 97 HE1 TYR 97 -6.697 6.530 4.057 779 HE2 TYR 97 HE2 TYR 97 -7.374 9.889 1.553 780 HH TYR 97 HH TYR 97 -5.582 8.561 4.168 781 H LEU 98 H LEU 98 -7.210 4.326 -1.779 782 HA LEU 98 HA LEU 98 -4.796 5.672 -1.174 783 HB2 LEU 98 HB3 LEU 98 -5.616 3.073 -1.855 784 HB3 LEU 98 HB2 LEU 98 -4.535 3.517 -3.147 785 HG LEU 98 HG LEU 98 -3.734 3.760 -0.234 786 HD11 LEU 98 HD11 LEU 98 -2.314 1.681 -1.340 787 HD12 LEU 98 HD12 LEU 98 -3.898 1.421 -2.024 788 HD13 LEU 98 HD13 LEU 98 -3.692 1.507 -0.254 789 HD21 LEU 98 HD21 LEU 98 -2.279 3.934 -2.857 790 HD22 LEU 98 HD22 LEU 98 -1.447 3.730 -1.325 791 HD23 LEU 98 HD23 LEU 98 -2.409 5.199 -1.619 792 H LYS 99 H LYS 99 -6.688 5.307 -4.149 793 HA LYS 99 HA LYS 99 -4.787 6.124 -5.988 794 HB2 LYS 99 HB3 LYS 99 -7.740 6.721 -6.192 795 HB3 LYS 99 HB2 LYS 99 -6.582 6.508 -7.483 796 HG2 LYS 99 HG3 LYS 99 -7.556 4.407 -5.595 797 HG3 LYS 99 HG2 LYS 99 -7.995 4.541 -7.275 798 HD2 LYS 99 HD3 LYS 99 -6.304 2.869 -6.607 799 HD3 LYS 99 HD2 LYS 99 -5.396 4.450 -7.605 800 HE2 LYS 99 HE3 LYS 99 -4.165 3.732 -5.908 801 HE3 LYS 99 HE2 LYS 99 -5.625 3.902 -4.891 802 HZ1 LYS 99 HZ1 LYS 99 -4.278 1.528 -5.631 803 HZ2 LYS 99 HZ2 LYS 99 -5.834 1.451 -6.359 804 HZ3 LYS 99 HZ3 LYS 99 -5.685 1.657 -4.710 805 H LYS 100 H LYS 100 -7.074 7.994 -4.114 806 HA LYS 100 HA LYS 100 -6.228 10.480 -5.215 807 HB2 LYS 100 HB3 LYS 100 -8.281 10.949 -4.434 808 HB3 LYS 100 HB2 LYS 100 -8.267 9.566 -3.396 809 HG2 LYS 100 HG3 LYS 100 -6.929 10.861 -1.747 810 HG3 LYS 100 HG2 LYS 100 -7.101 12.295 -2.783 811 HD2 LYS 100 HD3 LYS 100 -9.334 10.771 -1.352 812 HD3 LYS 100 HD2 LYS 100 -8.766 12.472 -1.116 813 HE2 LYS 100 HE3 LYS 100 -9.867 11.463 -3.750 814 HE3 LYS 100 HE2 LYS 100 -10.937 12.065 -2.459 815 HZ1 LYS 100 HZ1 LYS 100 -9.476 13.524 -4.333 816 HZ2 LYS 100 HZ2 LYS 100 -8.861 13.902 -2.804 817 HZ3 LYS 100 HZ3 LYS 100 -10.506 14.120 -3.109 818 H ALA 101 H ALA 101 -5.573 8.623 -2.342 819 HA ALA 101 HA ALA 101 -4.177 10.467 -0.798 820 HB1 ALA 101 HB1 ALA 101 -3.417 7.587 -0.859 821 HB2 ALA 101 HB2 ALA 101 -4.999 8.081 -0.232 822 HB3 ALA 101 HB3 ALA 101 -3.520 8.724 0.520 823 H THR 102 H THR 102 -3.215 8.702 -3.627 824 HA THR 102 HA THR 102 -0.436 9.561 -3.235 825 HB THR 102 HB THR 102 -0.376 7.329 -3.839 826 HG1 THR 102 HG1 THR 102 -0.861 8.032 -5.509 827 HG21 THR 102 HG21 THR 102 -2.882 7.857 -5.203 828 HG22 THR 102 HG22 THR 102 -2.300 6.364 -4.468 829 HG23 THR 102 HG23 THR 102 -1.803 6.793 -6.105 830 H ASN 103 H ASN 103 -3.368 10.066 -4.898 831 HA ASN 103 HA ASN 103 -2.390 12.472 -6.092 832 HB2 ASN 103 HB3 ASN 103 -3.798 10.755 -8.055 833 HB3 ASN 103 HB2 ASN 103 -2.544 12.015 -8.313 834 HD21 ASN 103 HD21 ASN 103 -3.127 8.668 -7.293 835 HD22 ASN 103 HD22 ASN 103 -1.564 8.086 -7.608 836 H GLU 104 H GLU 104 -3.839 13.787 -5.304 837 HA GLU 104 HA GLU 104 -6.264 14.347 -6.208 838 HB2 GLU 104 HB3 GLU 104 -6.436 11.971 -4.384 839 HB3 GLU 104 HB2 GLU 104 -7.714 13.170 -4.287 840 HG2 GLU 104 HG3 GLU 104 -7.066 12.428 -7.006 841 HG3 GLU 104 HG2 GLU 104 -7.649 11.074 -6.053 842 HHA HEC 201 HHA HEC 201 5.287 -5.280 0.516 843 HHB HEC 201 HHB HEC 201 -0.293 -2.482 0.355 844 HHC HEC 201 HHC HEC 201 -2.012 -6.230 5.150 845 HHD HEC 201 HHD HEC 201 4.135 -6.076 6.810 846 HMA1 HEC 201 HMA1 HEC 201 1.069 -1.171 -1.183 847 HMA2 HEC 201 HMA2 HEC 201 2.682 -0.344 -0.673 848 HMA3 HEC 201 HMA3 HEC 201 2.509 -1.615 -1.489 849 HAA1 HEC 201 HAA1 HEC 201 5.139 -3.058 -1.394 850 HAA2 HEC 201 HAA2 HEC 201 5.749 -2.487 0.152 851 HBA1 HEC 201 HBA1 HEC 201 4.304 -0.387 -0.175 852 HBA2 HEC 201 HBA2 HEC 201 4.036 -1.011 -1.839 853 HMB1 HEC 201 HMB1 HEC 201 -3.507 -1.994 2.032 854 HMB2 HEC 201 HMB2 HEC 201 -3.594 -3.241 0.825 855 HMB3 HEC 201 HMB3 HEC 201 -2.317 -1.998 0.745 856 HAB HEC 201 HAB HEC 201 -3.809 -3.372 4.511 857 HBB1 HEC 201 HBB1 HEC 201 -5.257 -5.317 2.727 858 HBB2 HEC 201 HBB2 HEC 201 -4.609 -3.823 2.017 859 HBB3 HEC 201 HBB3 HEC 201 -5.723 -3.737 3.410 860 HMC1 HEC 201 HMC1 HEC 201 -0.871 -7.740 8.482 861 HMC2 HEC 201 HMC2 HEC 201 -1.861 -7.880 6.894 862 HMC3 HEC 201 HMC3 HEC 201 -0.518 -8.506 7.204 863 HAC HEC 201 HAC HEC 201 3.054 -7.063 8.272 864 HBC1 HEC 201 HBC1 HEC 201 3.327 -9.451 7.715 865 HBC2 HEC 201 HBC2 HEC 201 1.675 -9.760 8.287 866 HBC3 HEC 201 HBC3 HEC 201 2.928 -9.210 9.434 867 HMD1 HEC 201 HMD1 HEC 201 6.056 -7.271 6.369 868 HMD2 HEC 201 HMD2 HEC 201 7.244 -5.984 5.997 869 HMD3 HEC 201 HMD3 HEC 201 7.335 -7.511 5.135 870 HAD1 HEC 201 HAD1 HEC 201 8.024 -6.502 3.204 871 HAD2 HEC 201 HAD2 HEC 201 7.634 -5.071 2.215 872 HBD1 HEC 201 HBD1 HEC 201 7.932 -7.696 1.299 873 HBD2 HEC 201 HBD2 HEC 201 7.402 -6.311 0.390 Start of MODEL 10 1 H1 GLY 1 1H GLY 1 -19.223 4.199 -0.466 2 H2 GLY 1 2H GLY 1 -18.577 3.660 -1.967 3 H3 GLY 1 3H GLY 1 -18.771 5.316 -1.640 4 HA2 GLY 1 HA2 GLY 1 -17.134 3.914 0.267 5 HA3 GLY 1 HA3 GLY 1 -16.469 3.884 -1.331 6 H ASP 2 H ASP 2 -16.404 5.423 1.513 7 HA ASP 2 HA ASP 2 -15.760 8.016 0.227 8 HB2 ASP 2 HB3 ASP 2 -16.447 7.605 3.245 9 HB3 ASP 2 HB2 ASP 2 -16.429 9.128 2.179 10 H VAL 3 H VAL 3 -14.030 9.226 1.150 11 HA VAL 3 HA VAL 3 -11.652 7.715 1.444 12 HB VAL 3 HB VAL 3 -12.329 10.601 1.617 13 HG11 VAL 3 HG11 VAL 3 -11.020 10.635 3.532 14 HG12 VAL 3 HG12 VAL 3 -9.853 10.954 2.282 15 HG13 VAL 3 HG13 VAL 3 -9.964 9.337 2.978 16 HG21 VAL 3 HG21 VAL 3 -11.554 10.352 -0.462 17 HG22 VAL 3 HG22 VAL 3 -10.876 8.772 -0.070 18 HG23 VAL 3 HG23 VAL 3 -9.953 10.244 0.292 19 H GLU 4 H GLU 4 -13.755 9.446 3.787 20 HA GLU 4 HA GLU 4 -12.128 9.056 6.122 21 HB2 GLU 4 HB3 GLU 4 -14.038 10.547 6.198 22 HB3 GLU 4 HB2 GLU 4 -15.111 9.170 5.904 23 HG2 GLU 4 HG3 GLU 4 -14.274 8.244 8.079 24 HG3 GLU 4 HG2 GLU 4 -13.572 9.875 8.369 25 H LYS 5 H LYS 5 -14.636 6.956 4.854 26 HA LYS 5 HA LYS 5 -14.527 4.982 6.870 27 HB2 LYS 5 HB3 LYS 5 -15.359 4.638 3.977 28 HB3 LYS 5 HB2 LYS 5 -15.761 3.632 5.349 29 HG2 LYS 5 HG3 LYS 5 -16.643 6.037 6.171 30 HG3 LYS 5 HG2 LYS 5 -17.008 6.047 4.422 31 HD2 LYS 5 HD3 LYS 5 -17.677 3.523 5.758 32 HD3 LYS 5 HD2 LYS 5 -18.600 4.959 6.316 33 HE2 LYS 5 HE3 LYS 5 -19.858 4.797 4.472 34 HE3 LYS 5 HE2 LYS 5 -18.451 5.078 3.487 35 HZ1 LYS 5 HZ1 LYS 5 -20.001 2.706 3.803 36 HZ2 LYS 5 HZ2 LYS 5 -18.428 2.401 4.319 37 HZ3 LYS 5 HZ3 LYS 5 -18.677 2.987 2.751 38 H GLY 6 H GLY 6 -12.817 5.401 3.787 39 HA2 GLY 6 HA3 GLY 6 -11.565 2.867 3.726 40 HA3 GLY 6 HA2 GLY 6 -10.984 4.326 2.940 41 H LYS 7 H LYS 7 -10.516 5.924 5.096 42 HA LYS 7 HA LYS 7 -7.940 5.208 5.781 43 HB2 LYS 7 HB3 LYS 7 -8.304 7.441 6.019 44 HB3 LYS 7 HB2 LYS 7 -9.835 7.172 6.881 45 HG2 LYS 7 HG3 LYS 7 -7.722 6.129 8.429 46 HG3 LYS 7 HG2 LYS 7 -7.320 7.777 8.012 47 HD2 LYS 7 HD3 LYS 7 -10.029 7.859 8.695 48 HD3 LYS 7 HD2 LYS 7 -9.271 6.729 9.889 49 HE2 LYS 7 HE3 LYS 7 -8.793 8.634 10.977 50 HE3 LYS 7 HE2 LYS 7 -7.436 8.769 9.800 51 HZ1 LYS 7 HZ1 LYS 7 -8.350 10.773 9.473 52 HZ2 LYS 7 HZ2 LYS 7 -9.906 10.282 9.969 53 HZ3 LYS 7 HZ3 LYS 7 -9.360 9.953 8.406 54 H LYS 8 H LYS 8 -10.969 4.886 7.696 55 HA LYS 8 HA LYS 8 -9.811 3.837 10.015 56 HB2 LYS 8 HB3 LYS 8 -11.913 4.630 10.386 57 HB3 LYS 8 HB2 LYS 8 -12.538 3.967 8.882 58 HG2 LYS 8 HG3 LYS 8 -11.675 2.132 11.057 59 HG3 LYS 8 HG2 LYS 8 -13.257 2.947 11.177 60 HD2 LYS 8 HD3 LYS 8 -12.388 1.249 8.841 61 HD3 LYS 8 HD2 LYS 8 -13.445 0.752 10.139 62 HE2 LYS 8 HE3 LYS 8 -13.958 3.071 8.263 63 HE3 LYS 8 HE2 LYS 8 -14.642 1.461 8.103 64 HZ1 LYS 8 HZ1 LYS 8 -15.219 3.557 10.102 65 HZ2 LYS 8 HZ2 LYS 8 -15.460 1.939 10.552 66 HZ3 LYS 8 HZ3 LYS 8 -16.315 2.584 9.257 67 H ILE 9 H ILE 9 -11.113 2.316 7.117 68 HA ILE 9 HA ILE 9 -11.049 -0.359 8.033 69 HB ILE 9 HB ILE 9 -11.165 0.985 5.360 70 HG12 ILE 9 HG13 ILE 9 -12.703 -1.289 6.622 71 HG13 ILE 9 HG12 ILE 9 -13.180 0.392 6.646 72 HG21 ILE 9 HG21 ILE 9 -9.716 -0.455 4.465 73 HG22 ILE 9 HG22 ILE 9 -11.088 -1.590 4.542 74 HG23 ILE 9 HG23 ILE 9 -9.881 -1.591 5.840 75 HD11 ILE 9 HD11 ILE 9 -13.544 -1.655 4.624 76 HD12 ILE 9 HD12 ILE 9 -12.799 -0.174 3.991 77 HD13 ILE 9 HD13 ILE 9 -14.315 -0.045 4.797 78 H PHE 10 H PHE 10 -8.672 1.582 6.289 79 HA PHE 10 HA PHE 10 -6.722 -0.429 6.061 80 HB2 PHE 10 HB3 PHE 10 -6.311 1.351 4.590 81 HB3 PHE 10 HB2 PHE 10 -6.682 2.548 5.829 82 HD1 PHE 10 HD1 PHE 10 -4.146 0.772 4.079 83 HD2 PHE 10 HD2 PHE 10 -5.026 2.864 7.707 84 HE1 PHE 10 HE1 PHE 10 -1.708 1.086 4.531 85 HE2 PHE 10 HE2 PHE 10 -2.626 3.149 8.111 86 HZ PHE 10 HZ PHE 10 -0.977 2.268 6.506 87 H VAL 11 H VAL 11 -7.394 2.023 8.385 88 HA VAL 11 HA VAL 11 -4.919 2.029 9.556 89 HB VAL 11 HB VAL 11 -7.654 2.506 10.813 90 HG11 VAL 11 HG11 VAL 11 -6.640 3.353 12.734 91 HG12 VAL 11 HG12 VAL 11 -5.015 3.425 11.954 92 HG13 VAL 11 HG13 VAL 11 -5.749 1.875 12.389 93 HG21 VAL 11 HG21 VAL 11 -7.534 4.467 9.695 94 HG22 VAL 11 HG22 VAL 11 -5.962 4.002 9.024 95 HG23 VAL 11 HG23 VAL 11 -6.039 4.846 10.621 96 H GLN 12 H GLN 12 -7.789 0.017 10.569 97 HA GLN 12 HA GLN 12 -6.087 -1.418 12.517 98 HB2 GLN 12 HB3 GLN 12 -8.227 -2.786 12.861 99 HB3 GLN 12 HB2 GLN 12 -8.316 -1.100 13.260 100 HG2 GLN 12 HG3 GLN 12 -10.151 -0.973 11.986 101 HG3 GLN 12 HG2 GLN 12 -9.053 -1.148 10.623 102 HE21 GLN 12 HE21 GLN 12 -8.304 -3.841 11.272 103 HE22 GLN 12 HE22 GLN 12 -9.703 -4.886 10.855 104 H LYS 13 H LYS 13 -7.847 -1.946 9.699 105 HA LYS 13 HA LYS 13 -7.687 -4.239 8.542 106 HB2 LYS 13 HB3 LYS 13 -8.013 -2.471 7.149 107 HB3 LYS 13 HB2 LYS 13 -6.696 -1.562 7.596 108 HG2 LYS 13 HG3 LYS 13 -6.221 -2.222 5.451 109 HG3 LYS 13 HG2 LYS 13 -5.376 -3.410 6.460 110 HD2 LYS 13 HD3 LYS 13 -6.515 -5.123 5.546 111 HD3 LYS 13 HD2 LYS 13 -8.050 -4.356 5.956 112 HE2 LYS 13 HE3 LYS 13 -7.361 -3.086 3.369 113 HE3 LYS 13 HE2 LYS 13 -6.845 -4.694 3.400 114 HZ1 LYS 13 HZ1 LYS 13 -9.378 -3.971 4.319 115 HZ2 LYS 13 HZ2 LYS 13 -8.817 -5.335 3.478 116 HZ3 LYS 13 HZ3 LYS 13 -8.976 -3.839 2.706 117 H CYS 14 H CYS 14 -4.640 -2.237 8.932 118 HA CYS 14 HA CYS 14 -2.982 -4.371 9.580 119 HB2 CYS 14 HB3 CYS 14 -1.601 -4.798 7.678 120 HB3 CYS 14 HB2 CYS 14 -3.273 -5.464 7.524 121 H ALA 15 H ALA 15 -3.584 -1.285 9.497 122 HA ALA 15 HA ALA 15 -1.367 0.101 8.597 123 HB1 ALA 15 HB1 ALA 15 -2.773 0.835 11.144 124 HB2 ALA 15 HB2 ALA 15 -3.551 1.000 9.570 125 HB3 ALA 15 HB3 ALA 15 -2.075 1.897 9.921 126 H GLN 16 H GLN 16 -1.518 -2.096 11.555 127 HA GLN 16 HA GLN 16 0.702 -1.132 12.905 128 HB2 GLN 16 HB3 GLN 16 0.422 -4.088 12.937 129 HB3 GLN 16 HB2 GLN 16 0.490 -2.932 14.298 130 HG2 GLN 16 HG3 GLN 16 -1.928 -2.259 13.604 131 HG3 GLN 16 HG2 GLN 16 -1.929 -3.702 12.590 132 HE21 GLN 16 HE21 GLN 16 -0.780 -2.947 15.842 133 HE22 GLN 16 HE22 GLN 16 -1.588 -4.267 16.641 134 H CYS 17 H CYS 17 0.534 -3.320 10.212 135 HA CYS 17 HA CYS 17 3.325 -3.999 10.197 136 HB2 CYS 17 HB3 CYS 17 1.507 -4.280 7.837 137 HB3 CYS 17 HB2 CYS 17 2.855 -5.299 8.305 138 H HIS 18 H HIS 18 1.393 -1.401 9.022 139 HA HIS 18 HA HIS 18 3.649 -0.513 7.290 140 HB2 HIS 18 HB3 HIS 18 0.722 0.347 7.184 141 HB3 HIS 18 HB2 HIS 18 2.023 0.840 6.111 142 HD1 HIS 18 HD1 HIS 18 1.764 -0.264 3.931 143 HD2 HIS 18 HD2 HIS 18 0.772 -2.761 7.136 144 HE1 HIS 18 HE1 HIS 18 1.122 -2.492 2.880 145 H THR 19 H THR 19 3.131 -0.195 10.284 146 HA THR 19 HA THR 19 3.291 1.355 11.905 147 HB THR 19 HB THR 19 4.785 2.925 9.779 148 HG1 THR 19 HG1 THR 19 6.582 1.762 10.545 149 HG21 THR 19 HG21 THR 19 5.204 2.977 12.738 150 HG22 THR 19 HG22 THR 19 4.264 4.170 11.818 151 HG23 THR 19 HG23 THR 19 5.985 3.952 11.506 152 H VAL 20 H VAL 20 2.641 3.509 12.673 153 HA VAL 20 HA VAL 20 0.218 4.415 11.320 154 HB VAL 20 HB VAL 20 1.348 5.713 13.766 155 HG11 VAL 20 HG11 VAL 20 -0.815 6.367 12.440 156 HG12 VAL 20 HG12 VAL 20 -0.873 6.318 14.214 157 HG13 VAL 20 HG13 VAL 20 -1.543 4.972 13.238 158 HG21 VAL 20 HG21 VAL 20 0.313 3.981 15.131 159 HG22 VAL 20 HG22 VAL 20 1.520 3.235 14.103 160 HG23 VAL 20 HG23 VAL 20 -0.192 3.091 13.694 161 H GLU 21 H GLU 21 0.792 7.091 12.677 162 HA GLU 21 HA GLU 21 1.501 8.486 10.332 163 HB2 GLU 21 HB3 GLU 21 1.865 10.091 12.733 164 HB3 GLU 21 HB2 GLU 21 0.708 10.274 11.409 165 HG2 GLU 21 HG3 GLU 21 -0.756 8.620 12.477 166 HG3 GLU 21 HG2 GLU 21 0.432 8.432 13.769 167 H LYS 22 H LYS 22 3.385 9.605 9.796 168 HA LYS 22 HA LYS 22 5.866 8.476 10.317 169 HB2 LYS 22 HB3 LYS 22 5.168 10.149 8.504 170 HB3 LYS 22 HB2 LYS 22 5.585 11.377 9.636 171 HG2 LYS 22 HG3 LYS 22 7.403 9.322 8.477 172 HG3 LYS 22 HG2 LYS 22 7.494 11.015 8.255 173 HD2 LYS 22 HD3 LYS 22 7.986 9.540 10.807 174 HD3 LYS 22 HD2 LYS 22 9.179 10.321 9.796 175 HE2 LYS 22 HE3 LYS 22 8.278 12.472 10.268 176 HE3 LYS 22 HE2 LYS 22 6.909 11.782 11.138 177 HZ1 LYS 22 HZ1 LYS 22 9.398 12.529 12.175 178 HZ2 LYS 22 HZ2 LYS 22 9.226 10.843 12.285 179 HZ3 LYS 22 HZ3 LYS 22 8.068 11.822 13.005 180 H GLY 23 H GLY 23 7.050 8.398 12.084 181 HA2 GLY 23 HA3 GLY 23 8.196 10.218 13.553 182 HA3 GLY 23 HA2 GLY 23 6.573 10.305 14.231 183 H GLY 24 H GLY 24 6.133 7.443 13.827 184 HA2 GLY 24 HA3 GLY 24 7.259 6.533 16.301 185 HA3 GLY 24 HA2 GLY 24 6.180 5.604 15.255 186 H LYS 25 H LYS 25 7.079 3.727 14.775 187 HA LYS 25 HA LYS 25 9.943 3.744 14.085 188 HB2 LYS 25 HB3 LYS 25 8.793 1.115 14.513 189 HB3 LYS 25 HB2 LYS 25 10.211 1.812 15.237 190 HG2 LYS 25 HG3 LYS 25 9.070 2.546 17.057 191 HG3 LYS 25 HG2 LYS 25 7.537 2.773 16.163 192 HD2 LYS 25 HD3 LYS 25 8.764 0.165 17.053 193 HD3 LYS 25 HD2 LYS 25 7.317 0.938 17.739 194 HE2 LYS 25 HE3 LYS 25 6.031 -0.010 16.270 195 HE3 LYS 25 HE2 LYS 25 6.970 0.712 14.963 196 HZ1 LYS 25 HZ1 LYS 25 6.951 -2.009 15.940 197 HZ2 LYS 25 HZ2 LYS 25 8.535 -1.340 15.764 198 HZ3 LYS 25 HZ3 LYS 25 7.447 -1.368 14.424 199 H HIS 26 H HIS 26 10.620 2.326 12.323 200 HA HIS 26 HA HIS 26 9.049 2.636 10.049 201 HB2 HIS 26 HB3 HIS 26 10.948 0.549 9.628 202 HB3 HIS 26 HB2 HIS 26 11.003 2.170 9.058 203 HD1 HIS 26 HD1 HIS 26 11.730 0.489 12.385 204 HD2 HIS 26 HD2 HIS 26 13.268 3.397 9.900 205 HE1 HIS 26 HE1 HIS 26 13.786 1.262 13.531 206 HE2 HIS 26 HE2 HIS 26 14.673 3.118 12.053 207 H LYS 27 H LYS 27 7.782 1.255 8.879 208 HA LYS 27 HA LYS 27 6.720 -0.987 10.371 209 HB2 LYS 27 HB3 LYS 27 4.843 -0.869 8.984 210 HB3 LYS 27 HB2 LYS 27 5.416 0.793 8.926 211 HG2 LYS 27 HG3 LYS 27 6.799 -0.481 6.892 212 HG3 LYS 27 HG2 LYS 27 5.184 -1.170 6.831 213 HD2 LYS 27 HD3 LYS 27 5.663 1.025 5.488 214 HD3 LYS 27 HD2 LYS 27 4.177 0.907 6.479 215 HE2 LYS 27 HE3 LYS 27 4.816 2.653 7.743 216 HE3 LYS 27 HE2 LYS 27 6.398 1.897 8.008 217 HZ1 LYS 27 HZ1 LYS 27 7.210 2.916 6.055 218 HZ2 LYS 27 HZ2 LYS 27 6.371 4.109 6.866 219 HZ3 LYS 27 HZ3 LYS 27 5.696 3.383 5.521 220 H THR 28 H THR 28 6.080 -2.978 8.988 221 HA THR 28 HA THR 28 8.509 -4.196 8.151 222 HB THR 28 HB THR 28 5.919 -5.375 7.355 223 HG1 THR 28 HG1 THR 28 6.709 -5.480 10.066 224 HG21 THR 28 HG21 THR 28 6.839 -7.448 7.935 225 HG22 THR 28 HG22 THR 28 7.999 -6.678 9.012 226 HG23 THR 28 HG23 THR 28 8.216 -6.562 7.281 227 H GLY 29 H GLY 29 5.762 -2.851 6.389 228 HA2 GLY 29 HA3 GLY 29 7.424 -2.943 3.950 229 HA3 GLY 29 HA2 GLY 29 5.724 -3.482 3.917 230 HA PRO 30 HA PRO 30 6.642 1.296 3.279 231 HB2 PRO 30 HB3 PRO 30 5.566 0.372 0.590 232 HB3 PRO 30 HB2 PRO 30 6.693 1.705 0.909 233 HG2 PRO 30 HG3 PRO 30 7.591 -0.614 0.025 234 HG3 PRO 30 HG2 PRO 30 8.484 0.270 1.266 235 HD2 PRO 30 HD3 PRO 30 6.898 -2.248 1.610 236 HD3 PRO 30 HD2 PRO 30 8.295 -1.655 2.504 237 H ASN 31 H ASN 31 4.993 2.332 4.124 238 HA ASN 31 HA ASN 31 2.430 1.366 4.523 239 HB2 ASN 31 HB3 ASN 31 3.728 3.461 5.531 240 HB3 ASN 31 HB2 ASN 31 2.792 4.341 4.294 241 HD21 ASN 31 HD21 ASN 31 2.064 5.201 6.518 242 HD22 ASN 31 HD22 ASN 31 0.653 4.495 7.174 243 H LEU 32 H LEU 32 3.359 3.965 2.232 244 HA LEU 32 HA LEU 32 1.873 2.918 0.169 245 HB2 LEU 32 HB3 LEU 32 -0.024 4.427 -0.094 246 HB3 LEU 32 HB2 LEU 32 -0.060 3.467 1.375 247 HG LEU 32 HG LEU 32 -1.110 5.596 1.938 248 HD11 LEU 32 HD11 LEU 32 1.554 5.224 2.879 249 HD12 LEU 32 HD12 LEU 32 0.127 4.543 3.658 250 HD13 LEU 32 HD13 LEU 32 0.394 6.285 3.679 251 HD21 LEU 32 HD21 LEU 32 -0.337 7.558 1.176 252 HD22 LEU 32 HD22 LEU 32 0.333 6.482 -0.050 253 HD23 LEU 32 HD23 LEU 32 1.324 7.000 1.320 254 H HIS 33 H HIS 33 3.379 5.650 1.722 255 HA HIS 33 HA HIS 33 3.486 7.617 -0.195 256 HB2 HIS 33 HB3 HIS 33 4.741 7.084 2.212 257 HB3 HIS 33 HB2 HIS 33 6.079 7.280 1.021 258 HD1 HIS 33 HD1 HIS 33 6.724 9.540 2.242 259 HD2 HIS 33 HD2 HIS 33 2.920 9.486 0.480 260 HE1 HIS 33 HE1 HIS 33 5.977 11.953 2.146 261 HE2 HIS 33 HE2 HIS 33 3.653 11.874 1.151 262 H GLY 34 H GLY 34 4.252 7.715 -2.204 263 HA2 GLY 34 HA3 GLY 34 5.536 7.361 -4.082 264 HA3 GLY 34 HA2 GLY 34 6.686 6.544 -3.001 265 H LEU 35 H LEU 35 3.520 5.345 -2.834 266 HA LEU 35 HA LEU 35 4.244 2.753 -3.630 267 HB2 LEU 35 HB3 LEU 35 2.296 3.330 -2.223 268 HB3 LEU 35 HB2 LEU 35 1.466 3.943 -3.610 269 HG LEU 35 HG LEU 35 1.393 1.731 -4.605 270 HD11 LEU 35 HD11 LEU 35 2.535 -0.102 -3.896 271 HD12 LEU 35 HD12 LEU 35 2.372 0.383 -2.184 272 HD13 LEU 35 HD13 LEU 35 3.584 1.187 -3.194 273 HD21 LEU 35 HD21 LEU 35 0.335 2.105 -1.822 274 HD22 LEU 35 HD22 LEU 35 0.072 0.578 -2.725 275 HD23 LEU 35 HD23 LEU 35 -0.532 2.110 -3.355 276 H PHE 36 H PHE 36 2.427 5.297 -5.374 277 HA PHE 36 HA PHE 36 2.804 3.769 -7.880 278 HB2 PHE 36 HB3 PHE 36 0.904 6.066 -7.809 279 HB3 PHE 36 HB2 PHE 36 0.774 4.562 -8.652 280 HD1 PHE 36 HD1 PHE 36 -0.294 2.611 -7.736 281 HD2 PHE 36 HD2 PHE 36 0.253 6.211 -5.414 282 HE1 PHE 36 HE1 PHE 36 -1.819 1.765 -5.992 283 HE2 PHE 36 HE2 PHE 36 -1.299 5.376 -3.735 284 HZ PHE 36 HZ PHE 36 -2.350 3.166 -4.017 285 H GLY 37 H GLY 37 4.532 5.811 -6.361 286 HA2 GLY 37 HA3 GLY 37 5.085 7.502 -8.692 287 HA3 GLY 37 HA2 GLY 37 5.232 8.134 -7.079 288 H ARG 38 H ARG 38 6.445 5.839 -5.889 289 HA ARG 38 HA ARG 38 9.154 6.284 -6.849 290 HB2 ARG 38 HB3 ARG 38 8.063 4.886 -4.404 291 HB3 ARG 38 HB2 ARG 38 9.777 4.983 -4.788 292 HG2 ARG 38 HG3 ARG 38 9.461 7.508 -4.823 293 HG3 ARG 38 HG2 ARG 38 7.903 7.205 -4.054 294 HD2 ARG 38 HD3 ARG 38 8.874 6.929 -2.073 295 HD3 ARG 38 HD2 ARG 38 9.961 5.707 -2.728 296 HE ARG 38 HE ARG 38 11.574 7.285 -2.440 297 HH11 ARG 38 HH11 ARG 38 8.661 8.877 -3.487 298 HH12 ARG 38 HH12 ARG 38 9.396 10.443 -3.582 299 HH21 ARG 38 HH21 ARG 38 12.553 9.341 -2.560 300 HH22 ARG 38 HH22 ARG 38 11.609 10.706 -3.055 301 H LYS 39 H LYS 39 10.659 4.339 -6.866 302 HA LYS 39 HA LYS 39 9.939 2.581 -8.876 303 HB2 LYS 39 HB3 LYS 39 12.248 3.015 -8.220 304 HB3 LYS 39 HB2 LYS 39 12.053 2.131 -6.716 305 HG2 LYS 39 HG3 LYS 39 13.008 1.112 -9.040 306 HG3 LYS 39 HG2 LYS 39 12.317 0.115 -7.790 307 HD2 LYS 39 HD3 LYS 39 11.327 -0.487 -9.951 308 HD3 LYS 39 HD2 LYS 39 10.107 0.233 -8.909 309 HE2 LYS 39 HE3 LYS 39 10.715 2.477 -10.027 310 HE3 LYS 39 HE2 LYS 39 11.521 1.428 -11.247 311 HZ1 LYS 39 HZ1 LYS 39 9.519 0.660 -12.005 312 HZ2 LYS 39 HZ2 LYS 39 8.999 2.157 -11.451 313 HZ3 LYS 39 HZ3 LYS 39 8.750 0.725 -10.510 314 H THR 40 H THR 40 11.002 0.941 -5.971 315 HA THR 40 HA THR 40 8.430 0.016 -5.213 316 HB THR 40 HB THR 40 8.929 -2.252 -4.986 317 HG1 THR 40 HG1 THR 40 10.409 -3.447 -5.890 318 HG21 THR 40 HG21 THR 40 8.607 -2.010 -7.737 319 HG22 THR 40 HG22 THR 40 8.893 -2.847 -6.526 320 HG23 THR 40 HG23 THR 40 7.502 -2.865 -6.223 321 H GLY 41 H GLY 41 8.363 0.442 -3.429 322 HA2 GLY 41 HA3 GLY 41 8.809 0.436 -1.199 323 HA3 GLY 41 HA2 GLY 41 9.489 -1.188 -1.451 324 H GLN 42 H GLN 42 10.761 1.855 -2.784 325 HA GLN 42 HA GLN 42 13.250 1.317 -1.441 326 HB2 GLN 42 HB3 GLN 42 13.792 3.362 -3.186 327 HB3 GLN 42 HB2 GLN 42 14.009 1.673 -3.554 328 HG2 GLN 42 HG3 GLN 42 12.782 2.839 -5.343 329 HG3 GLN 42 HG2 GLN 42 11.878 1.523 -4.637 330 HE21 GLN 42 HE21 GLN 42 9.846 2.035 -4.655 331 HE22 GLN 42 HE22 GLN 42 9.130 3.505 -4.131 332 H ALA 43 H ALA 43 11.341 2.328 0.198 333 HA ALA 43 HA ALA 43 11.128 5.128 0.408 334 HB1 ALA 43 HB1 ALA 43 11.240 4.222 3.044 335 HB2 ALA 43 HB2 ALA 43 10.708 2.795 2.153 336 HB3 ALA 43 HB3 ALA 43 9.811 4.332 2.034 337 HA PRO 44 HA PRO 44 14.964 6.548 2.021 338 HB2 PRO 44 HB3 PRO 44 14.364 8.199 4.031 339 HB3 PRO 44 HB2 PRO 44 13.848 8.581 2.354 340 HG2 PRO 44 HG3 PRO 44 12.248 7.394 4.591 341 HG3 PRO 44 HG2 PRO 44 11.801 8.607 3.396 342 HD2 PRO 44 HD3 PRO 44 11.149 5.958 3.264 343 HD3 PRO 44 HD2 PRO 44 11.252 7.073 1.810 344 H GLY 45 H GLY 45 14.079 7.091 5.212 345 HA2 GLY 45 HA3 GLY 45 16.086 5.323 6.277 346 HA3 GLY 45 HA2 GLY 45 14.925 6.291 7.248 347 H PHE 46 H PHE 46 13.265 4.459 4.993 348 HA PHE 46 HA PHE 46 12.333 2.669 7.082 349 HB2 PHE 46 HB3 PHE 46 10.734 3.701 5.539 350 HB3 PHE 46 HB2 PHE 46 11.541 2.941 4.150 351 HD1 PHE 46 HD1 PHE 46 9.680 2.186 7.279 352 HD2 PHE 46 HD2 PHE 46 10.891 0.779 3.465 353 HE1 PHE 46 HE1 PHE 46 8.252 0.215 7.545 354 HE2 PHE 46 HE2 PHE 46 9.412 -1.155 3.735 355 HZ PHE 46 HZ PHE 46 8.112 -1.479 5.778 356 H THR 47 H THR 47 12.759 0.537 7.282 357 HA THR 47 HA THR 47 14.920 -0.548 5.715 358 HB THR 47 HB THR 47 13.972 -0.905 8.297 359 HG1 THR 47 HG1 THR 47 15.685 -2.473 8.376 360 HG21 THR 47 HG21 THR 47 13.630 -3.385 8.395 361 HG22 THR 47 HG22 THR 47 13.385 -3.401 6.667 362 HG23 THR 47 HG23 THR 47 12.270 -2.510 7.740 363 H TYR 48 H TYR 48 14.399 -1.063 3.677 364 HA TYR 48 HA TYR 48 11.892 -2.194 2.919 365 HB2 TYR 48 HB3 TYR 48 13.834 -2.679 0.903 366 HB3 TYR 48 HB2 TYR 48 12.569 -1.457 0.922 367 HD1 TYR 48 HD1 TYR 48 15.996 -2.061 2.283 368 HD2 TYR 48 HD2 TYR 48 13.190 0.771 0.798 369 HE1 TYR 48 HE1 TYR 48 17.714 -0.306 2.400 370 HE2 TYR 48 HE2 TYR 48 14.901 2.533 0.910 371 HH TYR 48 HH TYR 48 17.995 1.998 2.426 372 H THR 49 H THR 49 11.647 -4.244 1.835 373 HA THR 49 HA THR 49 12.896 -6.431 3.263 374 HB THR 49 HB THR 49 11.264 -7.864 2.189 375 HG1 THR 49 HG1 THR 49 9.842 -6.766 0.604 376 HG21 THR 49 HG21 THR 49 9.399 -5.677 2.359 377 HG22 THR 49 HG22 THR 49 10.465 -5.689 3.740 378 HG23 THR 49 HG23 THR 49 9.520 -7.110 3.322 379 H ASP 50 H ASP 50 13.569 -8.405 1.913 380 HA ASP 50 HA ASP 50 15.852 -7.732 0.457 381 HB2 ASP 50 HB3 ASP 50 15.872 -9.955 1.147 382 HB3 ASP 50 HB2 ASP 50 14.148 -10.230 0.709 383 H ALA 51 H ALA 51 12.545 -8.226 -0.659 384 HA ALA 51 HA ALA 51 13.143 -8.128 -3.458 385 HB1 ALA 51 HB1 ALA 51 10.985 -8.775 -3.603 386 HB2 ALA 51 HB2 ALA 51 10.490 -7.212 -2.919 387 HB3 ALA 51 HB3 ALA 51 10.855 -8.556 -1.861 388 H ASN 52 H ASN 52 12.004 -5.678 -1.112 389 HA ASN 52 HA ASN 52 11.743 -3.563 -2.964 390 HB2 ASN 52 HB3 ASN 52 12.436 -3.530 -0.009 391 HB3 ASN 52 HB2 ASN 52 11.964 -2.096 -0.944 392 HD21 ASN 52 HD21 ASN 52 10.152 -4.150 -2.448 393 HD22 ASN 52 HD22 ASN 52 8.770 -4.213 -1.451 394 H LYS 53 H LYS 53 14.515 -4.616 -1.003 395 HA LYS 53 HA LYS 53 16.262 -2.518 -1.696 396 HB2 LYS 53 HB3 LYS 53 18.073 -4.218 -1.166 397 HB3 LYS 53 HB2 LYS 53 16.875 -3.895 0.082 398 HG2 LYS 53 HG3 LYS 53 15.771 -5.947 -0.368 399 HG3 LYS 53 HG2 LYS 53 16.723 -6.215 -1.830 400 HD2 LYS 53 HD3 LYS 53 17.821 -7.584 -0.398 401 HD3 LYS 53 HD2 LYS 53 18.726 -6.099 -0.110 402 HE2 LYS 53 HE3 LYS 53 18.177 -6.135 2.056 403 HE3 LYS 53 HE2 LYS 53 16.493 -6.065 1.621 404 HZ1 LYS 53 HZ1 LYS 53 17.993 -8.285 2.625 405 HZ2 LYS 53 HZ2 LYS 53 17.156 -8.650 1.179 406 HZ3 LYS 53 HZ3 LYS 53 16.317 -8.064 2.552 407 H ASN 54 H ASN 54 15.289 -5.434 -3.400 408 HA ASN 54 HA ASN 54 17.341 -5.315 -5.402 409 HB2 ASN 54 HB3 ASN 54 14.710 -6.777 -5.386 410 HB3 ASN 54 HB2 ASN 54 16.023 -7.043 -6.499 411 HD21 ASN 54 HD21 ASN 54 17.337 -6.287 -3.618 412 HD22 ASN 54 HD22 ASN 54 17.598 -7.921 -2.997 413 H LYS 55 H LYS 55 14.390 -3.663 -4.817 414 HA LYS 55 HA LYS 55 13.368 -1.964 -5.945 415 HB2 LYS 55 HB3 LYS 55 15.665 -2.462 -7.814 416 HB3 LYS 55 HB2 LYS 55 14.399 -1.296 -8.167 417 HG2 LYS 55 HG3 LYS 55 15.222 0.265 -6.720 418 HG3 LYS 55 HG2 LYS 55 15.543 -0.984 -5.503 419 HD2 LYS 55 HD3 LYS 55 17.264 -0.152 -7.789 420 HD3 LYS 55 HD2 LYS 55 17.656 -0.096 -6.095 421 HE2 LYS 55 HE3 LYS 55 17.250 -2.743 -6.252 422 HE3 LYS 55 HE2 LYS 55 17.593 -2.450 -7.981 423 HZ1 LYS 55 HZ1 LYS 55 19.634 -2.944 -7.052 424 HZ2 LYS 55 HZ2 LYS 55 19.410 -2.014 -5.715 425 HZ3 LYS 55 HZ3 LYS 55 19.646 -1.257 -7.175 426 H GLY 56 H GLY 56 11.902 -4.039 -6.022 427 HA2 GLY 56 HA3 GLY 56 11.519 -5.512 -8.288 428 HA3 GLY 56 HA2 GLY 56 10.227 -5.121 -7.146 429 H ILE 57 H ILE 57 8.658 -3.716 -7.745 430 HA ILE 57 HA ILE 57 9.184 -1.922 -9.946 431 HB ILE 57 HB ILE 57 8.014 -4.295 -10.550 432 HG12 ILE 57 HG13 ILE 57 8.926 -3.178 -12.340 433 HG13 ILE 57 HG12 ILE 57 7.227 -2.826 -12.635 434 HG21 ILE 57 HG21 ILE 57 5.921 -3.970 -9.561 435 HG22 ILE 57 HG22 ILE 57 5.714 -3.559 -11.277 436 HG23 ILE 57 HG23 ILE 57 5.869 -2.251 -10.104 437 HD11 ILE 57 HD11 ILE 57 7.456 -0.626 -12.066 438 HD12 ILE 57 HD12 ILE 57 9.086 -0.936 -12.547 439 HD13 ILE 57 HD13 ILE 57 8.695 -0.962 -10.831 440 H THR 58 H THR 58 7.172 -0.518 -10.420 441 HA THR 58 HA THR 58 6.310 0.521 -7.876 442 HB THR 58 HB THR 58 6.739 1.553 -10.448 443 HG1 THR 58 HG1 THR 58 6.292 3.573 -9.354 444 HG21 THR 58 HG21 THR 58 4.388 1.059 -10.984 445 HG22 THR 58 HG22 THR 58 4.788 2.777 -11.007 446 HG23 THR 58 HG23 THR 58 3.890 2.101 -9.668 447 H TRP 59 H TRP 59 4.641 -0.240 -6.891 448 HA TRP 59 HA TRP 59 2.669 -1.907 -8.028 449 HB2 TRP 59 HB3 TRP 59 1.976 -0.551 -5.495 450 HB3 TRP 59 HB2 TRP 59 1.970 -2.247 -5.859 451 HD1 TRP 59 HD1 TRP 59 4.456 0.582 -4.835 452 HE1 TRP 59 HE1 TRP 59 6.487 -0.562 -3.739 453 HE3 TRP 59 HE3 TRP 59 3.278 -4.373 -5.607 454 HZ2 TRP 59 HZ2 TRP 59 7.468 -3.174 -3.219 455 HZ3 TRP 59 HZ3 TRP 59 4.797 -6.081 -4.805 456 HH2 TRP 59 HH2 TRP 59 6.876 -5.512 -3.642 457 H LYS 60 H LYS 60 1.260 -1.245 -9.510 458 HA LYS 60 HA LYS 60 0.015 1.436 -9.193 459 HB2 LYS 60 HB3 LYS 60 0.377 1.539 -11.380 460 HB3 LYS 60 HB2 LYS 60 1.006 -0.119 -11.424 461 HG2 LYS 60 HG3 LYS 60 -0.748 -0.424 -12.821 462 HG3 LYS 60 HG2 LYS 60 -1.701 -0.525 -11.345 463 HD2 LYS 60 HD3 LYS 60 -2.814 1.350 -11.704 464 HD3 LYS 60 HD2 LYS 60 -1.348 2.222 -12.208 465 HE2 LYS 60 HE3 LYS 60 -1.974 0.274 -14.209 466 HE3 LYS 60 HE2 LYS 60 -3.469 1.202 -13.824 467 HZ1 LYS 60 HZ1 LYS 60 -1.507 2.016 -15.534 468 HZ2 LYS 60 HZ2 LYS 60 -1.179 2.890 -14.081 469 HZ3 LYS 60 HZ3 LYS 60 -2.711 3.020 -14.783 470 H GLU 61 H GLU 61 -2.304 1.487 -10.048 471 HA GLU 61 HA GLU 61 -3.939 -0.055 -8.293 472 HB2 GLU 61 HB3 GLU 61 -4.270 2.174 -9.957 473 HB3 GLU 61 HB2 GLU 61 -5.363 0.947 -10.626 474 HG2 GLU 61 HG3 GLU 61 -5.644 0.897 -7.807 475 HG3 GLU 61 HG2 GLU 61 -5.780 2.593 -8.404 476 H GLU 62 H GLU 62 -3.670 -0.270 -11.875 477 HA GLU 62 HA GLU 62 -5.292 -2.568 -12.119 478 HB2 GLU 62 HB3 GLU 62 -4.791 -2.506 -14.363 479 HB3 GLU 62 HB2 GLU 62 -4.391 -0.829 -13.891 480 HG2 GLU 62 HG3 GLU 62 -2.009 -1.462 -13.673 481 HG3 GLU 62 HG2 GLU 62 -2.454 -3.091 -14.280 482 H THR 63 H THR 63 -1.778 -2.179 -11.868 483 HA THR 63 HA THR 63 -1.111 -4.877 -12.202 484 HB THR 63 HB THR 63 0.294 -2.502 -11.707 485 HG1 THR 63 HG1 THR 63 1.616 -3.554 -12.929 486 HG21 THR 63 HG21 THR 63 1.791 -2.807 -10.011 487 HG22 THR 63 HG22 THR 63 1.517 -4.550 -9.951 488 HG23 THR 63 HG23 THR 63 0.314 -3.465 -9.295 489 H LEU 64 H LEU 64 -2.207 -3.090 -9.454 490 HA LEU 64 HA LEU 64 -1.511 -4.985 -7.465 491 HB2 LEU 64 HB3 LEU 64 -2.969 -2.476 -7.643 492 HB3 LEU 64 HB2 LEU 64 -3.634 -3.581 -6.485 493 HG LEU 64 HG LEU 64 -0.818 -2.591 -6.444 494 HD11 LEU 64 HD11 LEU 64 -1.874 -0.843 -5.510 495 HD12 LEU 64 HD12 LEU 64 -1.827 -1.882 -4.122 496 HD13 LEU 64 HD13 LEU 64 -3.305 -1.833 -5.057 497 HD21 LEU 64 HD21 LEU 64 -0.538 -3.872 -4.421 498 HD22 LEU 64 HD22 LEU 64 -1.071 -4.969 -5.716 499 HD23 LEU 64 HD23 LEU 64 -2.176 -4.447 -4.495 500 H MET 65 H MET 65 -4.312 -4.488 -9.517 501 HA MET 65 HA MET 65 -6.121 -6.159 -8.205 502 HB2 MET 65 HB3 MET 65 -5.814 -5.361 -11.134 503 HB3 MET 65 HB2 MET 65 -7.134 -6.392 -10.540 504 HG2 MET 65 HG3 MET 65 -6.555 -3.508 -9.784 505 HG3 MET 65 HG2 MET 65 -7.939 -4.157 -10.660 506 HE1 MET 65 HE1 MET 65 -6.457 -3.075 -7.448 507 HE2 MET 65 HE2 MET 65 -6.041 -4.753 -7.171 508 HE3 MET 65 HE3 MET 65 -7.276 -3.976 -6.130 509 H GLU 66 H GLU 66 -3.677 -6.811 -10.705 510 HA GLU 66 HA GLU 66 -4.335 -9.607 -10.871 511 HB2 GLU 66 HB3 GLU 66 -2.100 -9.644 -12.169 512 HB3 GLU 66 HB2 GLU 66 -3.456 -8.769 -12.867 513 HG2 GLU 66 HG3 GLU 66 -2.544 -6.669 -12.111 514 HG3 GLU 66 HG2 GLU 66 -1.228 -7.506 -11.286 515 H TYR 67 H TYR 67 -1.965 -7.642 -9.271 516 HA TYR 67 HA TYR 67 -0.232 -9.665 -8.349 517 HB2 TYR 67 HB3 TYR 67 0.794 -7.656 -8.062 518 HB3 TYR 67 HB2 TYR 67 -0.779 -6.829 -7.631 519 HD1 TYR 67 HD1 TYR 67 2.146 -8.601 -6.350 520 HD2 TYR 67 HD2 TYR 67 -1.690 -6.947 -5.342 521 HE1 TYR 67 HE1 TYR 67 2.730 -8.653 -3.948 522 HE2 TYR 67 HE2 TYR 67 -1.119 -7.033 -2.990 523 HH TYR 67 HH TYR 67 0.726 -7.205 -1.508 524 H LEU 68 H LEU 68 -3.364 -8.668 -7.367 525 HA LEU 68 HA LEU 68 -3.334 -9.515 -4.686 526 HB2 LEU 68 HB3 LEU 68 -5.537 -9.159 -6.700 527 HB3 LEU 68 HB2 LEU 68 -5.868 -9.828 -5.149 528 HG LEU 68 HG LEU 68 -4.607 -7.140 -5.542 529 HD11 LEU 68 HD11 LEU 68 -6.729 -6.154 -5.186 530 HD12 LEU 68 HD12 LEU 68 -7.439 -7.699 -4.836 531 HD13 LEU 68 HD13 LEU 68 -6.938 -7.331 -6.485 532 HD21 LEU 68 HD21 LEU 68 -4.065 -8.145 -3.431 533 HD22 LEU 68 HD22 LEU 68 -5.806 -8.496 -3.126 534 HD23 LEU 68 HD23 LEU 68 -5.208 -6.806 -3.185 535 H GLU 69 H GLU 69 -3.205 -11.265 -7.596 536 HA GLU 69 HA GLU 69 -4.579 -13.622 -6.916 537 HB2 GLU 69 HB3 GLU 69 -3.166 -12.730 -9.080 538 HB3 GLU 69 HB2 GLU 69 -2.134 -14.049 -8.503 539 HG2 GLU 69 HG3 GLU 69 -3.989 -15.585 -8.595 540 HG3 GLU 69 HG2 GLU 69 -5.056 -14.306 -9.183 541 H ASN 70 H ASN 70 -0.993 -13.545 -7.220 542 HA ASN 70 HA ASN 70 -0.858 -15.123 -4.672 543 HB2 ASN 70 HB3 ASN 70 0.585 -15.426 -7.362 544 HB3 ASN 70 HB2 ASN 70 1.400 -15.938 -5.856 545 HD21 ASN 70 HD21 ASN 70 -0.966 -16.714 -8.199 546 HD22 ASN 70 HD22 ASN 70 -1.502 -18.204 -7.509 547 HA PRO 71 HA PRO 71 1.189 -11.151 -3.620 548 HB2 PRO 71 HB3 PRO 71 1.153 -12.666 -1.049 549 HB3 PRO 71 HB2 PRO 71 0.741 -10.954 -1.369 550 HG2 PRO 71 HG3 PRO 71 -1.141 -12.794 -0.954 551 HG3 PRO 71 HG2 PRO 71 -1.341 -11.514 -2.204 552 HD2 PRO 71 HD3 PRO 71 -0.723 -14.396 -2.519 553 HD3 PRO 71 HD2 PRO 71 -1.699 -13.341 -3.553 554 H LYS 72 H LYS 72 2.134 -14.475 -2.866 555 HA LYS 72 HA LYS 72 4.827 -13.769 -2.247 556 HB2 LYS 72 HB3 LYS 72 4.833 -15.813 -1.283 557 HB3 LYS 72 HB2 LYS 72 3.158 -16.010 -1.881 558 HG2 LYS 72 HG3 LYS 72 4.147 -17.864 -2.760 559 HG3 LYS 72 HG2 LYS 72 4.386 -16.723 -4.082 560 HD2 LYS 72 HD3 LYS 72 6.547 -16.445 -2.288 561 HD3 LYS 72 HD2 LYS 72 6.374 -18.179 -2.729 562 HE2 LYS 72 HE3 LYS 72 6.060 -16.714 -5.110 563 HE3 LYS 72 HE2 LYS 72 7.464 -16.003 -4.271 564 HZ1 LYS 72 HZ1 LYS 72 8.396 -18.222 -4.143 565 HZ2 LYS 72 HZ2 LYS 72 8.073 -17.835 -5.741 566 HZ3 LYS 72 HZ3 LYS 72 7.040 -18.892 -4.847 567 H LYS 73 H LYS 73 3.036 -14.605 -5.074 568 HA LYS 73 HA LYS 73 5.242 -15.498 -6.700 569 HB2 LYS 73 HB3 LYS 73 3.735 -15.588 -8.426 570 HB3 LYS 73 HB2 LYS 73 2.667 -15.684 -7.070 571 HG2 LYS 73 HG3 LYS 73 1.547 -14.071 -8.178 572 HG3 LYS 73 HG2 LYS 73 2.689 -13.024 -7.363 573 HD2 LYS 73 HD3 LYS 73 2.329 -12.735 -9.885 574 HD3 LYS 73 HD2 LYS 73 3.992 -12.833 -9.297 575 HE2 LYS 73 HE3 LYS 73 3.493 -14.227 -11.368 576 HE3 LYS 73 HE2 LYS 73 4.240 -15.106 -10.034 577 HZ1 LYS 73 HZ1 LYS 73 1.874 -15.690 -9.399 578 HZ2 LYS 73 HZ2 LYS 73 2.504 -16.443 -10.817 579 HZ3 LYS 73 HZ3 LYS 73 1.417 -15.139 -10.891 580 H TYR 74 H TYR 74 3.954 -12.359 -5.925 581 HA TYR 74 HA TYR 74 5.472 -11.013 -7.979 582 HB2 TYR 74 HB3 TYR 74 3.526 -10.222 -5.850 583 HB3 TYR 74 HB2 TYR 74 4.755 -9.008 -6.269 584 HD1 TYR 74 HD1 TYR 74 2.214 -11.315 -7.827 585 HD2 TYR 74 HD2 TYR 74 4.420 -7.634 -8.154 586 HE1 TYR 74 HE1 TYR 74 0.892 -10.677 -9.792 587 HE2 TYR 74 HE2 TYR 74 3.095 -7.025 -10.106 588 HH TYR 74 HH TYR 74 0.824 -9.247 -11.624 589 H ILE 75 H ILE 75 5.673 -11.413 -4.460 590 HA ILE 75 HA ILE 75 8.505 -10.641 -4.621 591 HB ILE 75 HB ILE 75 6.481 -9.686 -2.581 592 HG12 ILE 75 HG13 ILE 75 6.594 -8.157 -4.337 593 HG13 ILE 75 HG12 ILE 75 7.768 -7.500 -3.200 594 HG21 ILE 75 HG21 ILE 75 8.497 -8.630 -1.408 595 HG22 ILE 75 HG22 ILE 75 9.482 -9.752 -2.361 596 HG23 ILE 75 HG23 ILE 75 8.284 -10.353 -1.216 597 HD11 ILE 75 HD11 ILE 75 9.063 -7.380 -4.994 598 HD12 ILE 75 HD12 ILE 75 8.153 -8.572 -5.894 599 HD13 ILE 75 HD13 ILE 75 9.303 -9.131 -4.729 600 HA PRO 76 HA PRO 76 7.975 -14.845 -2.631 601 HB2 PRO 76 HB3 PRO 76 10.684 -15.072 -3.858 602 HB3 PRO 76 HB2 PRO 76 9.354 -16.220 -3.912 603 HG2 PRO 76 HG3 PRO 76 10.049 -14.741 -6.058 604 HG3 PRO 76 HG2 PRO 76 8.314 -15.046 -5.708 605 HD2 PRO 76 HD3 PRO 76 9.928 -12.574 -5.220 606 HD3 PRO 76 HD2 PRO 76 8.219 -12.710 -5.758 607 H GLY 77 H GLY 77 8.602 -15.312 -0.619 608 HA2 GLY 77 HA3 GLY 77 10.372 -15.541 1.011 609 HA3 GLY 77 HA2 GLY 77 11.123 -14.103 0.368 610 H THR 78 H THR 78 8.265 -12.911 0.211 611 HA THR 78 HA THR 78 8.343 -11.875 2.975 612 HB THR 78 HB THR 78 8.180 -10.575 0.558 613 HG1 THR 78 HG1 THR 78 7.222 -9.585 3.019 614 HG21 THR 78 HG21 THR 78 5.739 -11.368 0.456 615 HG22 THR 78 HG22 THR 78 6.113 -9.668 0.176 616 HG23 THR 78 HG23 THR 78 5.488 -10.167 1.759 617 H LYS 79 H LYS 79 6.816 -12.347 4.409 618 HA LYS 79 HA LYS 79 4.404 -13.773 3.450 619 HB2 LYS 79 HB3 LYS 79 6.143 -14.787 5.155 620 HB3 LYS 79 HB2 LYS 79 5.340 -13.737 6.297 621 HG2 LYS 79 HG3 LYS 79 4.545 -16.210 5.969 622 HG3 LYS 79 HG2 LYS 79 3.320 -14.916 6.217 623 HD2 LYS 79 HD3 LYS 79 2.798 -16.496 4.338 624 HD3 LYS 79 HD2 LYS 79 2.971 -14.869 3.807 625 HE2 LYS 79 HE3 LYS 79 4.059 -16.464 2.297 626 HE3 LYS 79 HE2 LYS 79 5.153 -15.240 2.938 627 HZ1 LYS 79 HZ1 LYS 79 6.081 -17.540 2.984 628 HZ2 LYS 79 HZ2 LYS 79 4.848 -17.968 4.123 629 HZ3 LYS 79 HZ3 LYS 79 6.003 -16.834 4.518 630 H MET 80 H MET 80 2.375 -13.018 4.120 631 HA MET 80 HA MET 80 2.426 -10.423 5.426 632 HB2 MET 80 HB3 MET 80 1.294 -10.782 3.112 633 HB3 MET 80 HB2 MET 80 0.067 -11.665 4.024 634 HG2 MET 80 HG3 MET 80 -0.886 -9.561 3.950 635 HG3 MET 80 HG2 MET 80 -0.005 -9.448 5.430 636 HE1 MET 80 HE1 MET 80 2.074 -9.565 2.172 637 HE2 MET 80 HE2 MET 80 1.916 -7.918 1.591 638 HE3 MET 80 HE3 MET 80 0.541 -8.986 1.572 639 H ILE 81 H ILE 81 2.088 -10.454 7.130 640 HA ILE 81 HA ILE 81 0.292 -12.509 8.629 641 HB ILE 81 HB ILE 81 2.276 -10.598 9.971 642 HG12 ILE 81 HG13 ILE 81 3.180 -13.057 10.502 643 HG13 ILE 81 HG12 ILE 81 2.257 -13.434 9.047 644 HG21 ILE 81 HG21 ILE 81 1.249 -12.851 11.564 645 HG22 ILE 81 HG22 ILE 81 0.120 -11.505 11.319 646 HG23 ILE 81 HG23 ILE 81 1.707 -11.218 12.049 647 HD11 ILE 81 HD11 ILE 81 4.312 -12.984 8.155 648 HD12 ILE 81 HD12 ILE 81 4.698 -11.766 9.374 649 HD13 ILE 81 HD13 ILE 81 3.569 -11.383 8.079 650 H PHE 82 H PHE 82 -1.695 -11.925 9.795 651 HA PHE 82 HA PHE 82 -3.233 -10.600 10.866 652 HB2 PHE 82 HB3 PHE 82 -1.139 -9.118 11.414 653 HB3 PHE 82 HB2 PHE 82 -1.768 -8.095 10.162 654 HD1 PHE 82 HD1 PHE 82 -2.403 -9.405 13.528 655 HD2 PHE 82 HD2 PHE 82 -3.767 -6.778 10.453 656 HE1 PHE 82 HE1 PHE 82 -3.916 -8.370 15.137 657 HE2 PHE 82 HE2 PHE 82 -5.342 -5.724 12.055 658 HZ PHE 82 HZ PHE 82 -5.382 -6.493 14.401 659 H ALA 83 H ALA 83 -4.924 -8.951 10.269 660 HA ALA 83 HA ALA 83 -5.454 -7.521 8.182 661 HB1 ALA 83 HB1 ALA 83 -6.184 -9.317 6.375 662 HB2 ALA 83 HB2 ALA 83 -4.868 -10.253 7.145 663 HB3 ALA 83 HB3 ALA 83 -4.515 -8.675 6.438 664 H GLY 84 H GLY 84 -7.150 -7.078 9.619 665 HA2 GLY 84 HA3 GLY 84 -9.166 -9.021 10.142 666 HA3 GLY 84 HA2 GLY 84 -9.173 -7.354 10.665 667 H ILE 85 H ILE 85 -8.556 -7.816 7.362 668 HA ILE 85 HA ILE 85 -11.395 -7.491 6.645 669 HB ILE 85 HB ILE 85 -9.064 -5.860 5.544 670 HG12 ILE 85 HG13 ILE 85 -10.624 -5.441 7.792 671 HG13 ILE 85 HG12 ILE 85 -9.613 -4.223 6.963 672 HG21 ILE 85 HG21 ILE 85 -12.014 -5.784 4.785 673 HG22 ILE 85 HG22 ILE 85 -10.692 -6.482 3.804 674 HG23 ILE 85 HG23 ILE 85 -10.773 -4.750 4.167 675 HD11 ILE 85 HD11 ILE 85 -11.742 -3.919 5.504 676 HD12 ILE 85 HD12 ILE 85 -11.654 -3.211 7.112 677 HD13 ILE 85 HD13 ILE 85 -12.592 -4.700 6.891 678 H LYS 86 H LYS 86 -12.018 -8.281 4.658 679 HA LYS 86 HA LYS 86 -10.014 -9.577 2.939 680 HB2 LYS 86 HB3 LYS 86 -11.651 -11.634 3.002 681 HB3 LYS 86 HB2 LYS 86 -10.309 -11.475 4.148 682 HG2 LYS 86 HG3 LYS 86 -12.549 -10.202 5.253 683 HG3 LYS 86 HG2 LYS 86 -13.051 -11.768 4.706 684 HD2 LYS 86 HD3 LYS 86 -11.594 -12.865 6.155 685 HD3 LYS 86 HD2 LYS 86 -10.487 -11.463 6.225 686 HE2 LYS 86 HE3 LYS 86 -12.614 -10.339 7.351 687 HE3 LYS 86 HE2 LYS 86 -13.047 -11.987 7.699 688 HZ1 LYS 86 HZ1 LYS 86 -10.374 -10.985 8.385 689 HZ2 LYS 86 HZ2 LYS 86 -11.136 -12.300 9.006 690 HZ3 LYS 86 HZ3 LYS 86 -11.675 -10.750 9.455 691 H LYS 87 H LYS 87 -13.403 -8.900 3.639 692 HA LYS 87 HA LYS 87 -14.737 -9.466 1.400 693 HB2 LYS 87 HB3 LYS 87 -15.040 -7.567 3.422 694 HB3 LYS 87 HB2 LYS 87 -15.233 -6.663 1.927 695 HG2 LYS 87 HG3 LYS 87 -17.353 -7.373 1.823 696 HG3 LYS 87 HG2 LYS 87 -16.718 -9.047 1.586 697 HD2 LYS 87 HD3 LYS 87 -16.539 -9.139 4.133 698 HD3 LYS 87 HD2 LYS 87 -17.534 -7.691 4.178 699 HE2 LYS 87 HE3 LYS 87 -18.827 -9.773 4.451 700 HE3 LYS 87 HE2 LYS 87 -19.337 -8.757 3.073 701 HZ1 LYS 87 HZ1 LYS 87 -19.088 -11.268 2.749 702 HZ2 LYS 87 HZ2 LYS 87 -17.411 -10.913 2.626 703 HZ3 LYS 87 HZ3 LYS 87 -18.515 -10.202 1.561 704 H LYS 88 H LYS 88 -14.303 -9.358 -0.705 705 HA LYS 88 HA LYS 88 -12.248 -7.922 -1.859 706 HB2 LYS 88 HB3 LYS 88 -13.394 -9.759 -3.011 707 HB3 LYS 88 HB2 LYS 88 -14.845 -8.740 -3.128 708 HG2 LYS 88 HG3 LYS 88 -13.853 -7.257 -4.714 709 HG3 LYS 88 HG2 LYS 88 -12.245 -7.922 -4.438 710 HD2 LYS 88 HD3 LYS 88 -14.505 -8.860 -6.124 711 HD3 LYS 88 HD2 LYS 88 -12.762 -9.102 -6.309 712 HE2 LYS 88 HE3 LYS 88 -13.726 -11.246 -5.891 713 HE3 LYS 88 HE2 LYS 88 -12.792 -10.822 -4.464 714 HZ1 LYS 88 HZ1 LYS 88 -15.429 -11.580 -4.574 715 HZ2 LYS 88 HZ2 LYS 88 -15.476 -9.948 -4.258 716 HZ3 LYS 88 HZ3 LYS 88 -14.611 -10.977 -3.269 717 H THR 89 H THR 89 -15.538 -6.910 -1.257 718 HA THR 89 HA THR 89 -15.367 -4.461 -2.779 719 HB THR 89 HB THR 89 -17.535 -4.037 -2.023 720 HG1 THR 89 HG1 THR 89 -17.390 -3.817 0.099 721 HG21 THR 89 HG21 THR 89 -17.424 -6.980 -1.355 722 HG22 THR 89 HG22 THR 89 -17.474 -6.321 -3.023 723 HG23 THR 89 HG23 THR 89 -18.784 -6.021 -1.874 724 H GLU 90 H GLU 90 -14.516 -5.396 0.498 725 HA GLU 90 HA GLU 90 -14.270 -2.716 1.484 726 HB2 GLU 90 HB3 GLU 90 -13.062 -5.269 2.569 727 HB3 GLU 90 HB2 GLU 90 -13.252 -3.747 3.422 728 HG2 GLU 90 HG3 GLU 90 -15.699 -4.951 2.332 729 HG3 GLU 90 HG2 GLU 90 -14.949 -5.863 3.584 730 H ARG 91 H ARG 91 -12.009 -5.214 0.351 731 HA ARG 91 HA ARG 91 -9.642 -3.709 0.724 732 HB2 ARG 91 HB3 ARG 91 -10.190 -5.914 -1.216 733 HB3 ARG 91 HB2 ARG 91 -8.614 -5.077 -1.094 734 HG2 ARG 91 HG3 ARG 91 -9.116 -5.747 1.474 735 HG3 ARG 91 HG2 ARG 91 -9.880 -7.119 0.669 736 HD2 ARG 91 HD3 ARG 91 -7.259 -6.888 -0.610 737 HD3 ARG 91 HD2 ARG 91 -7.151 -6.609 1.126 738 HE ARG 91 HE ARG 91 -8.470 -8.786 1.149 739 HH11 ARG 91 HH11 ARG 91 -6.058 -7.823 -1.171 740 HH12 ARG 91 HH12 ARG 91 -5.569 -9.395 -1.512 741 HH21 ARG 91 HH21 ARG 91 -7.824 -10.918 0.726 742 HH22 ARG 91 HH22 ARG 91 -6.555 -11.201 -0.419 743 H GLU 92 H GLU 92 -11.687 -4.173 -2.214 744 HA GLU 92 HA GLU 92 -10.202 -2.514 -3.918 745 HB2 GLU 92 HB3 GLU 92 -12.066 -4.138 -4.556 746 HB3 GLU 92 HB2 GLU 92 -13.201 -2.903 -4.028 747 HG2 GLU 92 HG3 GLU 92 -12.927 -2.770 -6.423 748 HG3 GLU 92 HG2 GLU 92 -12.247 -1.331 -5.681 749 H ASP 93 H ASP 93 -12.784 -1.767 -1.679 750 HA ASP 93 HA ASP 93 -13.258 0.904 -2.494 751 HB2 ASP 93 HB3 ASP 93 -14.816 -0.034 -0.987 752 HB3 ASP 93 HB2 ASP 93 -13.571 -0.529 0.184 753 H GLY 94 H GLY 94 -11.019 -0.431 -0.003 754 HA2 GLY 94 HA3 GLY 94 -9.954 2.001 0.893 755 HA3 GLY 94 HA2 GLY 94 -9.121 0.464 0.919 756 H ILE 95 H ILE 95 -9.144 0.008 -1.960 757 HA ILE 95 HA ILE 95 -6.703 1.274 -2.655 758 HB ILE 95 HB ILE 95 -8.695 -0.454 -4.048 759 HG12 ILE 95 HG13 ILE 95 -5.734 -0.418 -3.679 760 HG13 ILE 95 HG12 ILE 95 -6.883 -1.450 -2.903 761 HG21 ILE 95 HG21 ILE 95 -8.590 0.603 -5.973 762 HG22 ILE 95 HG22 ILE 95 -6.900 0.066 -6.059 763 HG23 ILE 95 HG23 ILE 95 -7.278 1.673 -5.398 764 HD11 ILE 95 HD11 ILE 95 -6.539 -1.515 -5.885 765 HD12 ILE 95 HD12 ILE 95 -7.276 -2.699 -4.819 766 HD13 ILE 95 HD13 ILE 95 -5.533 -2.435 -4.804 767 H ALA 96 H ALA 96 -10.102 2.036 -3.415 768 HA ALA 96 HA ALA 96 -9.637 4.053 -5.321 769 HB1 ALA 96 HB1 ALA 96 -11.871 3.176 -4.935 770 HB2 ALA 96 HB2 ALA 96 -11.812 4.945 -4.689 771 HB3 ALA 96 HB3 ALA 96 -11.802 3.869 -3.291 772 H TYR 97 H TYR 97 -9.865 4.308 -1.832 773 HA TYR 97 HA TYR 97 -9.429 7.104 -1.643 774 HB2 TYR 97 HB3 TYR 97 -10.257 5.981 0.283 775 HB3 TYR 97 HB2 TYR 97 -8.969 4.833 0.315 776 HD1 TYR 97 HD1 TYR 97 -7.992 5.129 2.401 777 HD2 TYR 97 HD2 TYR 97 -8.723 8.495 -0.070 778 HE1 TYR 97 HE1 TYR 97 -6.733 6.529 3.993 779 HE2 TYR 97 HE2 TYR 97 -7.462 9.918 1.488 780 HH TYR 97 HH TYR 97 -5.615 8.602 4.154 781 H LEU 98 H LEU 98 -7.249 4.351 -1.851 782 HA LEU 98 HA LEU 98 -4.839 5.701 -1.244 783 HB2 LEU 98 HB3 LEU 98 -5.652 3.112 -1.878 784 HB3 LEU 98 HB2 LEU 98 -4.565 3.566 -3.196 785 HG LEU 98 HG LEU 98 -3.815 3.760 -0.282 786 HD11 LEU 98 HD11 LEU 98 -2.351 1.713 -1.391 787 HD12 LEU 98 HD12 LEU 98 -3.966 1.442 -2.052 788 HD13 LEU 98 HD13 LEU 98 -3.702 1.535 -0.306 789 HD21 LEU 98 HD21 LEU 98 -2.318 3.948 -2.887 790 HD22 LEU 98 HD22 LEU 98 -1.489 3.763 -1.313 791 HD23 LEU 98 HD23 LEU 98 -2.491 5.184 -1.642 792 H LYS 99 H LYS 99 -6.700 5.293 -4.168 793 HA LYS 99 HA LYS 99 -4.796 6.092 -6.045 794 HB2 LYS 99 HB3 LYS 99 -7.774 6.718 -6.247 795 HB3 LYS 99 HB2 LYS 99 -6.616 6.475 -7.547 796 HG2 LYS 99 HG3 LYS 99 -7.559 4.400 -5.641 797 HG3 LYS 99 HG2 LYS 99 -8.047 4.566 -7.311 798 HD2 LYS 99 HD3 LYS 99 -6.334 2.853 -6.685 799 HD3 LYS 99 HD2 LYS 99 -5.390 4.456 -7.681 800 HE2 LYS 99 HE3 LYS 99 -4.201 3.707 -5.957 801 HE3 LYS 99 HE2 LYS 99 -5.634 3.873 -4.944 802 HZ1 LYS 99 HZ1 LYS 99 -4.316 1.491 -5.645 803 HZ2 LYS 99 HZ2 LYS 99 -5.857 1.463 -6.418 804 HZ3 LYS 99 HZ3 LYS 99 -5.754 1.627 -4.730 805 H LYS 100 H LYS 100 -7.154 8.006 -4.172 806 HA LYS 100 HA LYS 100 -6.290 10.527 -5.292 807 HB2 LYS 100 HB3 LYS 100 -8.353 10.957 -4.505 808 HB3 LYS 100 HB2 LYS 100 -8.314 9.558 -3.435 809 HG2 LYS 100 HG3 LYS 100 -6.979 10.874 -1.813 810 HG3 LYS 100 HG2 LYS 100 -7.151 12.303 -2.855 811 HD2 LYS 100 HD3 LYS 100 -9.327 10.769 -1.422 812 HD3 LYS 100 HD2 LYS 100 -8.823 12.471 -1.165 813 HE2 LYS 100 HE3 LYS 100 -9.945 11.458 -3.800 814 HE3 LYS 100 HE2 LYS 100 -10.981 12.096 -2.526 815 HZ1 LYS 100 HZ1 LYS 100 -9.522 13.525 -4.415 816 HZ2 LYS 100 HZ2 LYS 100 -8.909 13.922 -2.912 817 HZ3 LYS 100 HZ3 LYS 100 -10.591 14.103 -3.209 818 H ALA 101 H ALA 101 -5.619 8.635 -2.397 819 HA ALA 101 HA ALA 101 -4.223 10.521 -0.837 820 HB1 ALA 101 HB1 ALA 101 -3.495 7.612 -0.906 821 HB2 ALA 101 HB2 ALA 101 -5.047 8.114 -0.311 822 HB3 ALA 101 HB3 ALA 101 -3.611 8.714 0.483 823 H THR 102 H THR 102 -3.254 8.725 -3.703 824 HA THR 102 HA THR 102 -0.505 9.608 -3.267 825 HB THR 102 HB THR 102 -0.449 7.334 -3.850 826 HG1 THR 102 HG1 THR 102 -0.927 8.045 -5.550 827 HG21 THR 102 HG21 THR 102 -2.919 7.863 -5.249 828 HG22 THR 102 HG22 THR 102 -2.367 6.379 -4.508 829 HG23 THR 102 HG23 THR 102 -1.837 6.797 -6.144 830 H ASN 103 H ASN 103 -3.413 10.059 -4.925 831 HA ASN 103 HA ASN 103 -2.426 12.502 -6.138 832 HB2 ASN 103 HB3 ASN 103 -3.802 10.744 -8.111 833 HB3 ASN 103 HB2 ASN 103 -2.583 11.985 -8.384 834 HD21 ASN 103 HD21 ASN 103 -3.155 8.693 -7.328 835 HD22 ASN 103 HD22 ASN 103 -1.587 8.125 -7.664 836 H GLU 104 H GLU 104 -3.878 13.818 -5.358 837 HA GLU 104 HA GLU 104 -6.336 14.351 -6.285 838 HB2 GLU 104 HB3 GLU 104 -6.472 12.014 -4.466 839 HB3 GLU 104 HB2 GLU 104 -7.756 13.186 -4.390 840 HG2 GLU 104 HG3 GLU 104 -7.100 12.436 -7.105 841 HG3 GLU 104 HG2 GLU 104 -7.688 11.071 -6.122 842 HHA HEC 201 HHA HEC 201 5.220 -5.240 0.535 843 HHB HEC 201 HHB HEC 201 -0.340 -2.491 0.333 844 HHC HEC 201 HHC HEC 201 -2.056 -6.163 5.166 845 HHD HEC 201 HHD HEC 201 4.082 -6.023 6.829 846 HMA1 HEC 201 HMA1 HEC 201 1.034 -1.135 -1.215 847 HMA2 HEC 201 HMA2 HEC 201 2.672 -0.310 -0.635 848 HMA3 HEC 201 HMA3 HEC 201 2.446 -1.572 -1.517 849 HAA1 HEC 201 HAA1 HEC 201 5.099 -3.057 -1.395 850 HAA2 HEC 201 HAA2 HEC 201 5.711 -2.441 0.204 851 HBA1 HEC 201 HBA1 HEC 201 4.261 -0.370 -0.214 852 HBA2 HEC 201 HBA2 HEC 201 4.003 -0.974 -1.864 853 HMB1 HEC 201 HMB1 HEC 201 -3.556 -1.979 2.044 854 HMB2 HEC 201 HMB2 HEC 201 -3.640 -3.243 0.801 855 HMB3 HEC 201 HMB3 HEC 201 -2.364 -1.999 0.720 856 HAB HEC 201 HAB HEC 201 -3.887 -3.317 4.539 857 HBB1 HEC 201 HBB1 HEC 201 -5.332 -5.281 2.715 858 HBB2 HEC 201 HBB2 HEC 201 -4.684 -3.787 2.005 859 HBB3 HEC 201 HBB3 HEC 201 -5.798 -3.701 3.398 860 HMC1 HEC 201 HMC1 HEC 201 -0.901 -7.706 8.521 861 HMC2 HEC 201 HMC2 HEC 201 -1.913 -7.834 6.903 862 HMC3 HEC 201 HMC3 HEC 201 -0.539 -8.450 7.259 863 HAC HEC 201 HAC HEC 201 2.998 -7.021 8.251 864 HBC1 HEC 201 HBC1 HEC 201 3.271 -9.409 7.694 865 HBC2 HEC 201 HBC2 HEC 201 1.619 -9.718 8.266 866 HBC3 HEC 201 HBC3 HEC 201 2.872 -9.168 9.413 867 HMD1 HEC 201 HMD1 HEC 201 6.031 -7.236 6.425 868 HMD2 HEC 201 HMD2 HEC 201 7.197 -5.903 6.037 869 HMD3 HEC 201 HMD3 HEC 201 7.287 -7.460 5.167 870 HAD1 HEC 201 HAD1 HEC 201 7.980 -6.456 3.235 871 HAD2 HEC 201 HAD2 HEC 201 7.622 -5.021 2.281 872 HBD1 HEC 201 HBD1 HEC 201 7.892 -7.670 1.360 873 HBD2 HEC 201 HBD2 HEC 201 7.404 -6.283 0.420 Start of MODEL 11 1 H1 GLY 1 1H GLY 1 -19.379 3.953 -0.502 2 H2 GLY 1 2H GLY 1 -18.794 3.438 -2.005 3 H3 GLY 1 3H GLY 1 -18.957 5.146 -1.679 4 HA2 GLY 1 HA2 GLY 1 -17.308 3.724 0.241 5 HA3 GLY 1 HA3 GLY 1 -16.680 3.702 -1.349 6 H ASP 2 H ASP 2 -16.596 5.382 1.464 7 HA ASP 2 HA ASP 2 -16.021 7.899 0.095 8 HB2 ASP 2 HB3 ASP 2 -16.644 7.575 3.103 9 HB3 ASP 2 HB2 ASP 2 -16.678 9.069 2.045 10 H VAL 3 H VAL 3 -14.252 9.183 0.942 11 HA VAL 3 HA VAL 3 -11.897 7.675 1.298 12 HB VAL 3 HB VAL 3 -12.593 10.560 1.424 13 HG11 VAL 3 HG11 VAL 3 -11.299 10.643 3.327 14 HG12 VAL 3 HG12 VAL 3 -10.108 10.966 2.009 15 HG13 VAL 3 HG13 VAL 3 -10.235 9.355 2.761 16 HG21 VAL 3 HG21 VAL 3 -11.830 10.296 -0.647 17 HG22 VAL 3 HG22 VAL 3 -11.108 8.717 -0.267 18 HG23 VAL 3 HG23 VAL 3 -10.218 10.234 0.073 19 H GLU 4 H GLU 4 -13.971 9.397 3.622 20 HA GLU 4 HA GLU 4 -12.341 9.127 5.960 21 HB2 GLU 4 HB3 GLU 4 -14.241 10.548 5.998 22 HB3 GLU 4 HB2 GLU 4 -15.357 9.210 5.721 23 HG2 GLU 4 HG3 GLU 4 -14.469 8.325 7.974 24 HG3 GLU 4 HG2 GLU 4 -13.787 9.903 8.199 25 H LYS 5 H LYS 5 -14.878 6.967 4.734 26 HA LYS 5 HA LYS 5 -14.702 5.064 6.771 27 HB2 LYS 5 HB3 LYS 5 -15.565 4.611 3.933 28 HB3 LYS 5 HB2 LYS 5 -15.953 3.604 5.282 29 HG2 LYS 5 HG3 LYS 5 -16.897 6.065 6.083 30 HG3 LYS 5 HG2 LYS 5 -17.220 6.017 4.366 31 HD2 LYS 5 HD3 LYS 5 -17.854 3.552 5.738 32 HD3 LYS 5 HD2 LYS 5 -18.793 4.928 6.248 33 HE2 LYS 5 HE3 LYS 5 -20.090 4.753 4.460 34 HE3 LYS 5 HE2 LYS 5 -18.636 5.000 3.420 35 HZ1 LYS 5 HZ1 LYS 5 -20.189 2.669 3.776 36 HZ2 LYS 5 HZ2 LYS 5 -18.611 2.382 4.339 37 HZ3 LYS 5 HZ3 LYS 5 -18.876 2.942 2.777 38 H GLY 6 H GLY 6 -12.997 5.394 3.683 39 HA2 GLY 6 HA3 GLY 6 -11.753 2.901 3.670 40 HA3 GLY 6 HA2 GLY 6 -11.164 4.317 2.841 41 H LYS 7 H LYS 7 -10.709 5.970 4.991 42 HA LYS 7 HA LYS 7 -8.119 5.242 5.615 43 HB2 LYS 7 HB3 LYS 7 -8.500 7.519 5.868 44 HB3 LYS 7 HB2 LYS 7 -10.016 7.280 6.693 45 HG2 LYS 7 HG3 LYS 7 -7.867 6.208 8.245 46 HG3 LYS 7 HG2 LYS 7 -7.539 7.862 7.793 47 HD2 LYS 7 HD3 LYS 7 -10.214 7.933 8.497 48 HD3 LYS 7 HD2 LYS 7 -9.463 6.862 9.717 49 HE2 LYS 7 HE3 LYS 7 -8.928 8.790 10.741 50 HE3 LYS 7 HE2 LYS 7 -7.648 8.886 9.564 51 HZ1 LYS 7 HZ1 LYS 7 -8.545 10.899 9.222 52 HZ2 LYS 7 HZ2 LYS 7 -10.088 10.432 9.752 53 HZ3 LYS 7 HZ3 LYS 7 -9.528 10.046 8.179 54 H LYS 8 H LYS 8 -10.888 5.004 7.537 55 HA LYS 8 HA LYS 8 -9.950 3.849 9.978 56 HB2 LYS 8 HB3 LYS 8 -12.111 4.636 10.270 57 HB3 LYS 8 HB2 LYS 8 -12.600 4.181 8.614 58 HG2 LYS 8 HG3 LYS 8 -11.976 1.936 10.506 59 HG3 LYS 8 HG2 LYS 8 -13.430 2.892 10.790 60 HD2 LYS 8 HD3 LYS 8 -14.333 2.367 8.664 61 HD3 LYS 8 HD2 LYS 8 -12.793 1.720 8.093 62 HE2 LYS 8 HE3 LYS 8 -14.070 0.507 10.497 63 HE3 LYS 8 HE2 LYS 8 -14.785 0.147 8.903 64 HZ1 LYS 8 HZ1 LYS 8 -11.900 -0.195 9.514 65 HZ2 LYS 8 HZ2 LYS 8 -12.742 -0.707 8.166 66 HZ3 LYS 8 HZ3 LYS 8 -13.017 -1.451 9.691 67 H ILE 9 H ILE 9 -11.066 2.442 6.950 68 HA ILE 9 HA ILE 9 -11.064 -0.231 7.759 69 HB ILE 9 HB ILE 9 -10.879 1.088 5.124 70 HG12 ILE 9 HG13 ILE 9 -12.735 -1.050 6.212 71 HG13 ILE 9 HG12 ILE 9 -13.070 0.691 6.198 72 HG21 ILE 9 HG21 ILE 9 -10.642 -1.981 5.310 73 HG22 ILE 9 HG22 ILE 9 -9.214 -0.816 5.126 74 HG23 ILE 9 HG23 ILE 9 -10.508 -0.915 3.923 75 HD11 ILE 9 HD11 ILE 9 -13.211 -1.331 3.972 76 HD12 ILE 9 HD12 ILE 9 -12.536 0.330 3.631 77 HD13 ILE 9 HD13 ILE 9 -14.134 0.241 4.360 78 H PHE 10 H PHE 10 -8.503 1.728 6.290 79 HA PHE 10 HA PHE 10 -6.591 -0.338 6.139 80 HB2 PHE 10 HB3 PHE 10 -5.998 1.433 4.804 81 HB3 PHE 10 HB2 PHE 10 -6.554 2.653 5.962 82 HD1 PHE 10 HD1 PHE 10 -3.703 1.395 4.482 83 HD2 PHE 10 HD2 PHE 10 -5.211 2.609 8.285 84 HE1 PHE 10 HE1 PHE 10 -1.428 1.794 5.248 85 HE2 PHE 10 HE2 PHE 10 -2.887 2.961 9.074 86 HZ PHE 10 HZ PHE 10 -0.986 2.584 7.558 87 H VAL 11 H VAL 11 -7.414 1.986 8.624 88 HA VAL 11 HA VAL 11 -5.277 1.842 10.342 89 HB VAL 11 HB VAL 11 -8.199 2.080 11.008 90 HG11 VAL 11 HG11 VAL 11 -5.750 2.297 12.758 91 HG12 VAL 11 HG12 VAL 11 -7.184 1.307 13.001 92 HG13 VAL 11 HG13 VAL 11 -7.237 3.089 13.177 93 HG21 VAL 11 HG21 VAL 11 -6.313 3.851 9.855 94 HG22 VAL 11 HG22 VAL 11 -6.621 4.429 11.531 95 HG23 VAL 11 HG23 VAL 11 -7.969 4.213 10.357 96 H GLN 12 H GLN 12 -8.255 -0.407 10.289 97 HA GLN 12 HA GLN 12 -6.948 -2.119 12.318 98 HB2 GLN 12 HB3 GLN 12 -9.309 -3.331 11.085 99 HB3 GLN 12 HB2 GLN 12 -9.057 -2.882 12.742 100 HG2 GLN 12 HG3 GLN 12 -9.423 -0.450 11.598 101 HG3 GLN 12 HG2 GLN 12 -10.495 -1.451 10.636 102 HE21 GLN 12 HE21 GLN 12 -12.231 -0.273 11.542 103 HE22 GLN 12 HE22 GLN 12 -12.860 -0.687 13.102 104 H LYS 13 H LYS 13 -8.047 -2.188 9.136 105 HA LYS 13 HA LYS 13 -7.523 -4.170 7.617 106 HB2 LYS 13 HB3 LYS 13 -7.127 -1.419 7.429 107 HB3 LYS 13 HB2 LYS 13 -5.616 -2.095 6.855 108 HG2 LYS 13 HG3 LYS 13 -8.286 -2.145 5.650 109 HG3 LYS 13 HG2 LYS 13 -6.690 -2.239 4.904 110 HD2 LYS 13 HD3 LYS 13 -6.554 -4.618 5.736 111 HD3 LYS 13 HD2 LYS 13 -8.308 -4.489 6.124 112 HE2 LYS 13 HE3 LYS 13 -6.996 -5.006 3.596 113 HE3 LYS 13 HE2 LYS 13 -8.740 -5.083 4.003 114 HZ1 LYS 13 HZ1 LYS 13 -8.932 -2.749 3.544 115 HZ2 LYS 13 HZ2 LYS 13 -8.236 -3.507 2.203 116 HZ3 LYS 13 HZ3 LYS 13 -7.294 -2.578 3.274 117 H CYS 14 H CYS 14 -4.824 -2.487 9.145 118 HA CYS 14 HA CYS 14 -3.058 -4.451 9.527 119 HB2 CYS 14 HB3 CYS 14 -1.698 -4.923 7.619 120 HB3 CYS 14 HB2 CYS 14 -3.370 -5.588 7.464 121 H ALA 15 H ALA 15 -3.646 -1.467 9.732 122 HA ALA 15 HA ALA 15 -1.528 -0.090 8.537 123 HB1 ALA 15 HB1 ALA 15 -2.778 0.729 11.127 124 HB2 ALA 15 HB2 ALA 15 -3.630 0.902 9.589 125 HB3 ALA 15 HB3 ALA 15 -2.098 1.778 9.870 126 H GLN 16 H GLN 16 -1.621 -1.904 11.520 127 HA GLN 16 HA GLN 16 0.635 -0.871 12.849 128 HB2 GLN 16 HB3 GLN 16 0.325 -3.833 12.893 129 HB3 GLN 16 HB2 GLN 16 0.417 -2.685 14.220 130 HG2 GLN 16 HG3 GLN 16 -2.010 -2.023 13.548 131 HG3 GLN 16 HG2 GLN 16 -1.974 -3.484 12.595 132 HE21 GLN 16 HE21 GLN 16 -0.842 -2.686 15.842 133 HE22 GLN 16 HE22 GLN 16 -1.621 -3.957 16.645 134 H CYS 17 H CYS 17 0.404 -3.122 10.181 135 HA CYS 17 HA CYS 17 3.204 -3.763 10.204 136 HB2 CYS 17 HB3 CYS 17 1.358 -4.164 7.856 137 HB3 CYS 17 HB2 CYS 17 2.761 -5.115 8.289 138 H HIS 18 H HIS 18 1.290 -1.241 8.914 139 HA HIS 18 HA HIS 18 3.469 -0.320 7.227 140 HB2 HIS 18 HB3 HIS 18 0.559 0.488 7.090 141 HB3 HIS 18 HB2 HIS 18 1.820 0.995 5.970 142 HD1 HIS 18 HD1 HIS 18 1.581 -0.167 3.840 143 HD2 HIS 18 HD2 HIS 18 0.636 -2.650 7.091 144 HE1 HIS 18 HE1 HIS 18 0.986 -2.412 2.873 145 H THR 19 H THR 19 2.961 -0.008 10.193 146 HA THR 19 HA THR 19 3.154 1.603 11.772 147 HB THR 19 HB THR 19 4.610 3.126 9.595 148 HG1 THR 19 HG1 THR 19 6.401 2.031 10.369 149 HG21 THR 19 HG21 THR 19 5.019 3.226 12.575 150 HG22 THR 19 HG22 THR 19 4.127 4.421 11.631 151 HG23 THR 19 HG23 THR 19 5.817 4.221 11.308 152 H VAL 20 H VAL 20 2.486 3.749 12.469 153 HA VAL 20 HA VAL 20 0.015 4.627 11.161 154 HB VAL 20 HB VAL 20 1.202 5.926 13.591 155 HG11 VAL 20 HG11 VAL 20 -0.972 6.571 12.265 156 HG12 VAL 20 HG12 VAL 20 -1.042 6.562 14.031 157 HG13 VAL 20 HG13 VAL 20 -1.708 5.234 13.069 158 HG21 VAL 20 HG21 VAL 20 0.177 4.267 15.017 159 HG22 VAL 20 HG22 VAL 20 1.389 3.541 13.939 160 HG23 VAL 20 HG23 VAL 20 -0.332 3.332 13.561 161 H GLU 21 H GLU 21 0.576 7.358 12.479 162 HA GLU 21 HA GLU 21 1.280 8.700 10.066 163 HB2 GLU 21 HB3 GLU 21 1.638 10.310 12.451 164 HB3 GLU 21 HB2 GLU 21 0.473 10.485 11.148 165 HG2 GLU 21 HG3 GLU 21 -0.969 8.808 12.241 166 HG3 GLU 21 HG2 GLU 21 0.207 8.695 13.543 167 H LYS 22 H LYS 22 3.182 9.850 9.510 168 HA LYS 22 HA LYS 22 5.607 8.701 10.030 169 HB2 LYS 22 HB3 LYS 22 4.936 10.326 8.196 170 HB3 LYS 22 HB2 LYS 22 5.353 11.603 9.316 171 HG2 LYS 22 HG3 LYS 22 7.144 9.504 8.187 172 HG3 LYS 22 HG2 LYS 22 7.226 11.243 7.926 173 HD2 LYS 22 HD3 LYS 22 7.724 9.824 10.497 174 HD3 LYS 22 HD2 LYS 22 8.956 10.576 9.493 175 HE2 LYS 22 HE3 LYS 22 8.017 12.781 9.893 176 HE3 LYS 22 HE2 LYS 22 6.652 12.031 10.779 177 HZ1 LYS 22 HZ1 LYS 22 9.143 12.830 11.763 178 HZ2 LYS 22 HZ2 LYS 22 9.048 11.134 11.974 179 HZ3 LYS 22 HZ3 LYS 22 7.805 12.167 12.602 180 H GLY 23 H GLY 23 6.865 8.655 11.790 181 HA2 GLY 23 HA3 GLY 23 7.976 10.531 13.258 182 HA3 GLY 23 HA2 GLY 23 6.382 10.581 13.935 183 H GLY 24 H GLY 24 5.939 7.713 13.582 184 HA2 GLY 24 HA3 GLY 24 7.094 6.858 16.063 185 HA3 GLY 24 HA2 GLY 24 5.997 5.958 15.066 186 H LYS 25 H LYS 25 6.969 4.059 14.571 187 HA LYS 25 HA LYS 25 9.798 4.099 13.858 188 HB2 LYS 25 HB3 LYS 25 8.679 1.466 14.340 189 HB3 LYS 25 HB2 LYS 25 10.094 2.191 15.107 190 HG2 LYS 25 HG3 LYS 25 8.932 2.947 16.857 191 HG3 LYS 25 HG2 LYS 25 7.453 3.159 15.985 192 HD2 LYS 25 HD3 LYS 25 8.647 0.537 16.882 193 HD3 LYS 25 HD2 LYS 25 7.233 1.342 17.619 194 HE2 LYS 25 HE3 LYS 25 5.947 0.354 16.111 195 HE3 LYS 25 HE2 LYS 25 6.839 1.068 14.783 196 HZ1 LYS 25 HZ1 LYS 25 6.919 -1.620 15.821 197 HZ2 LYS 25 HZ2 LYS 25 8.450 -1.010 15.649 198 HZ3 LYS 25 HZ3 LYS 25 7.395 -1.053 14.332 199 H HIS 26 H HIS 26 10.506 2.653 12.115 200 HA HIS 26 HA HIS 26 8.886 2.926 9.820 201 HB2 HIS 26 HB3 HIS 26 10.798 0.826 9.474 202 HB3 HIS 26 HB2 HIS 26 10.864 2.444 8.850 203 HD1 HIS 26 HD1 HIS 26 11.569 0.800 12.212 204 HD2 HIS 26 HD2 HIS 26 13.121 3.695 9.613 205 HE1 HIS 26 HE1 HIS 26 13.663 1.648 13.315 206 HE2 HIS 26 HE2 HIS 26 14.513 3.461 11.786 207 H LYS 27 H LYS 27 7.617 1.471 8.700 208 HA LYS 27 HA LYS 27 6.594 -0.742 10.278 209 HB2 LYS 27 HB3 LYS 27 4.736 -0.659 8.878 210 HB3 LYS 27 HB2 LYS 27 5.262 1.013 8.785 211 HG2 LYS 27 HG3 LYS 27 6.645 -0.268 6.736 212 HG3 LYS 27 HG2 LYS 27 5.003 -0.942 6.712 213 HD2 LYS 27 HD3 LYS 27 5.432 1.157 5.356 214 HD3 LYS 27 HD2 LYS 27 4.010 1.111 6.334 215 HE2 LYS 27 HE3 LYS 27 4.624 2.807 7.592 216 HE3 LYS 27 HE2 LYS 27 6.254 2.106 7.843 217 HZ1 LYS 27 HZ1 LYS 27 7.009 3.093 5.826 218 HZ2 LYS 27 HZ2 LYS 27 6.198 4.311 6.636 219 HZ3 LYS 27 HZ3 LYS 27 5.457 3.552 5.334 220 H THR 28 H THR 28 5.999 -2.742 8.881 221 HA THR 28 HA THR 28 8.423 -4.000 8.086 222 HB THR 28 HB THR 28 5.818 -5.176 7.316 223 HG1 THR 28 HG1 THR 28 6.603 -5.207 9.993 224 HG21 THR 28 HG21 THR 28 6.735 -7.223 7.923 225 HG22 THR 28 HG22 THR 28 7.919 -6.455 8.965 226 HG23 THR 28 HG23 THR 28 8.096 -6.348 7.202 227 H GLY 29 H GLY 29 5.623 -2.682 6.336 228 HA2 GLY 29 HA3 GLY 29 7.241 -2.781 3.858 229 HA3 GLY 29 HA2 GLY 29 5.605 -3.349 3.849 230 HA PRO 30 HA PRO 30 6.406 1.425 3.081 231 HB2 PRO 30 HB3 PRO 30 5.351 0.451 0.458 232 HB3 PRO 30 HB2 PRO 30 6.458 1.763 0.760 233 HG2 PRO 30 HG3 PRO 30 7.371 -0.576 -0.132 234 HG3 PRO 30 HG2 PRO 30 8.305 0.389 1.081 235 HD2 PRO 30 HD3 PRO 30 6.687 -2.145 1.470 236 HD3 PRO 30 HD2 PRO 30 8.085 -1.517 2.378 237 H ASN 31 H ASN 31 4.755 2.471 3.962 238 HA ASN 31 HA ASN 31 2.206 1.486 4.398 239 HB2 ASN 31 HB3 ASN 31 3.517 3.590 5.320 240 HB3 ASN 31 HB2 ASN 31 2.528 4.424 4.099 241 HD21 ASN 31 HD21 ASN 31 1.874 5.338 6.332 242 HD22 ASN 31 HD22 ASN 31 0.447 4.635 7.010 243 H LEU 32 H LEU 32 3.083 4.070 2.028 244 HA LEU 32 HA LEU 32 1.608 3.007 -0.018 245 HB2 LEU 32 HB3 LEU 32 -0.289 4.516 -0.281 246 HB3 LEU 32 HB2 LEU 32 -0.325 3.556 1.188 247 HG LEU 32 HG LEU 32 -1.375 5.685 1.751 248 HD11 LEU 32 HD11 LEU 32 1.289 5.313 2.692 249 HD12 LEU 32 HD12 LEU 32 -0.138 4.632 3.471 250 HD13 LEU 32 HD13 LEU 32 0.129 6.374 3.492 251 HD21 LEU 32 HD21 LEU 32 -0.602 7.647 0.989 252 HD22 LEU 32 HD22 LEU 32 0.068 6.571 -0.237 253 HD23 LEU 32 HD23 LEU 32 1.059 7.089 1.133 254 H HIS 33 H HIS 33 3.087 5.732 1.517 255 HA HIS 33 HA HIS 33 3.162 7.682 -0.492 256 HB2 HIS 33 HB3 HIS 33 4.473 7.211 1.954 257 HB3 HIS 33 HB2 HIS 33 5.795 7.386 0.807 258 HD1 HIS 33 HD1 HIS 33 6.425 9.658 1.945 259 HD2 HIS 33 HD2 HIS 33 2.614 9.574 0.201 260 HE1 HIS 33 HE1 HIS 33 5.645 12.035 1.801 261 HE2 HIS 33 HE2 HIS 33 3.382 11.943 0.814 262 H GLY 34 H GLY 34 3.896 7.740 -2.451 263 HA2 GLY 34 HA3 GLY 34 5.235 7.342 -4.304 264 HA3 GLY 34 HA2 GLY 34 6.376 6.573 -3.246 265 H LEU 35 H LEU 35 3.198 5.362 -3.061 266 HA LEU 35 HA LEU 35 3.933 2.766 -3.819 267 HB2 LEU 35 HB3 LEU 35 1.994 3.320 -2.353 268 HB3 LEU 35 HB2 LEU 35 1.152 3.926 -3.797 269 HG LEU 35 HG LEU 35 1.093 1.684 -4.726 270 HD11 LEU 35 HD11 LEU 35 2.294 -0.104 -3.982 271 HD12 LEU 35 HD12 LEU 35 2.171 0.416 -2.304 272 HD13 LEU 35 HD13 LEU 35 3.361 1.188 -3.350 273 HD21 LEU 35 HD21 LEU 35 0.108 2.071 -1.912 274 HD22 LEU 35 HD22 LEU 35 -0.176 0.532 -2.788 275 HD23 LEU 35 HD23 LEU 35 -0.795 2.073 -3.426 276 H PHE 36 H PHE 36 2.113 5.241 -5.564 277 HA PHE 36 HA PHE 36 2.484 3.675 -8.045 278 HB2 PHE 36 HB3 PHE 36 0.588 5.934 -7.971 279 HB3 PHE 36 HB2 PHE 36 0.444 4.446 -8.841 280 HD1 PHE 36 HD1 PHE 36 -0.564 2.508 -7.844 281 HD2 PHE 36 HD2 PHE 36 -0.042 6.126 -5.601 282 HE1 PHE 36 HE1 PHE 36 -2.157 1.680 -6.116 283 HE2 PHE 36 HE2 PHE 36 -1.605 5.297 -3.868 284 HZ PHE 36 HZ PHE 36 -2.603 3.075 -4.099 285 H GLY 37 H GLY 37 4.238 5.782 -6.563 286 HA2 GLY 37 HA3 GLY 37 4.720 7.418 -8.938 287 HA3 GLY 37 HA2 GLY 37 4.869 8.052 -7.352 288 H ARG 38 H ARG 38 6.125 5.844 -6.107 289 HA ARG 38 HA ARG 38 8.816 6.273 -7.109 290 HB2 ARG 38 HB3 ARG 38 7.789 4.900 -4.631 291 HB3 ARG 38 HB2 ARG 38 9.492 5.023 -5.058 292 HG2 ARG 38 HG3 ARG 38 9.164 7.569 -5.121 293 HG3 ARG 38 HG2 ARG 38 7.610 7.235 -4.346 294 HD2 ARG 38 HD3 ARG 38 8.572 7.024 -2.331 295 HD3 ARG 38 HD2 ARG 38 9.665 5.788 -3.014 296 HE ARG 38 HE ARG 38 11.265 7.401 -2.724 297 HH11 ARG 38 HH11 ARG 38 8.322 8.919 -3.788 298 HH12 ARG 38 HH12 ARG 38 9.043 10.502 -3.943 299 HH21 ARG 38 HH21 ARG 38 12.250 9.460 -2.887 300 HH22 ARG 38 HH22 ARG 38 11.287 10.798 -3.401 301 H LYS 39 H LYS 39 10.367 4.327 -7.078 302 HA LYS 39 HA LYS 39 9.590 2.534 -9.044 303 HB2 LYS 39 HB3 LYS 39 11.938 3.041 -8.437 304 HB3 LYS 39 HB2 LYS 39 11.734 2.171 -6.957 305 HG2 LYS 39 HG3 LYS 39 12.732 1.074 -9.256 306 HG3 LYS 39 HG2 LYS 39 12.041 0.149 -7.959 307 HD2 LYS 39 HD3 LYS 39 11.063 -0.545 -10.086 308 HD3 LYS 39 HD2 LYS 39 9.849 0.216 -9.029 309 HE2 LYS 39 HE3 LYS 39 10.425 2.437 -10.261 310 HE3 LYS 39 HE2 LYS 39 11.165 1.348 -11.456 311 HZ1 LYS 39 HZ1 LYS 39 9.229 0.561 -12.172 312 HZ2 LYS 39 HZ2 LYS 39 8.661 2.029 -11.625 313 HZ3 LYS 39 HZ3 LYS 39 8.448 0.676 -10.660 314 H THR 40 H THR 40 10.723 0.939 -6.169 315 HA THR 40 HA THR 40 8.144 0.018 -5.303 316 HB THR 40 HB THR 40 8.643 -2.250 -5.076 317 HG1 THR 40 HG1 THR 40 10.123 -3.445 -6.030 318 HG21 THR 40 HG21 THR 40 8.321 -2.008 -7.827 319 HG22 THR 40 HG22 THR 40 8.607 -2.845 -6.616 320 HG23 THR 40 HG23 THR 40 7.216 -2.863 -6.313 321 H GLY 41 H GLY 41 8.077 0.449 -3.571 322 HA2 GLY 41 HA3 GLY 41 8.579 0.519 -1.358 323 HA3 GLY 41 HA2 GLY 41 9.245 -1.095 -1.589 324 H GLN 42 H GLN 42 10.471 1.923 -3.022 325 HA GLN 42 HA GLN 42 13.008 1.442 -1.651 326 HB2 GLN 42 HB3 GLN 42 13.509 3.436 -3.448 327 HB3 GLN 42 HB2 GLN 42 13.738 1.731 -3.761 328 HG2 GLN 42 HG3 GLN 42 12.528 2.914 -5.561 329 HG3 GLN 42 HG2 GLN 42 11.606 1.568 -4.813 330 HE21 GLN 42 HE21 GLN 42 9.562 2.030 -4.835 331 HE22 GLN 42 HE22 GLN 42 8.848 3.568 -4.332 332 H ALA 43 H ALA 43 11.100 2.462 -0.014 333 HA ALA 43 HA ALA 43 10.856 5.236 0.137 334 HB1 ALA 43 HB1 ALA 43 11.032 4.396 2.800 335 HB2 ALA 43 HB2 ALA 43 10.449 2.961 1.937 336 HB3 ALA 43 HB3 ALA 43 9.560 4.453 1.788 337 HA PRO 44 HA PRO 44 14.698 6.776 1.721 338 HB2 PRO 44 HB3 PRO 44 14.067 8.461 3.706 339 HB3 PRO 44 HB2 PRO 44 13.585 8.757 2.043 340 HG2 PRO 44 HG3 PRO 44 11.994 7.637 4.298 341 HG3 PRO 44 HG2 PRO 44 11.491 8.803 3.072 342 HD2 PRO 44 HD3 PRO 44 10.893 6.126 2.950 343 HD3 PRO 44 HD2 PRO 44 10.969 7.207 1.572 344 H GLY 45 H GLY 45 13.825 7.325 4.924 345 HA2 GLY 45 HA3 GLY 45 15.838 5.641 5.987 346 HA3 GLY 45 HA2 GLY 45 14.696 6.567 6.898 347 H PHE 46 H PHE 46 13.016 4.725 4.740 348 HA PHE 46 HA PHE 46 12.142 2.915 6.815 349 HB2 PHE 46 HB3 PHE 46 10.490 3.910 5.268 350 HB3 PHE 46 HB2 PHE 46 11.287 3.110 3.938 351 HD1 PHE 46 HD1 PHE 46 9.493 2.407 7.117 352 HD2 PHE 46 HD2 PHE 46 10.693 0.964 3.282 353 HE1 PHE 46 HE1 PHE 46 8.065 0.462 7.433 354 HE2 PHE 46 HE2 PHE 46 9.240 -0.969 3.570 355 HZ PHE 46 HZ PHE 46 7.931 -1.266 5.628 356 H THR 47 H THR 47 12.563 0.798 7.047 357 HA THR 47 HA THR 47 14.781 -0.302 5.549 358 HB THR 47 HB THR 47 13.829 -0.615 8.112 359 HG1 THR 47 HG1 THR 47 15.562 -2.140 8.249 360 HG21 THR 47 HG21 THR 47 13.515 -3.087 8.260 361 HG22 THR 47 HG22 THR 47 13.235 -3.090 6.520 362 HG23 THR 47 HG23 THR 47 12.149 -2.198 7.587 363 H TYR 48 H TYR 48 14.248 -0.857 3.525 364 HA TYR 48 HA TYR 48 11.752 -1.999 2.819 365 HB2 TYR 48 HB3 TYR 48 13.660 -2.467 0.741 366 HB3 TYR 48 HB2 TYR 48 12.375 -1.298 0.763 367 HD1 TYR 48 HD1 TYR 48 15.820 -1.829 2.147 368 HD2 TYR 48 HD2 TYR 48 13.005 0.955 0.611 369 HE1 TYR 48 HE1 TYR 48 17.523 -0.041 2.194 370 HE2 TYR 48 HE2 TYR 48 14.664 2.716 0.666 371 HH TYR 48 HH TYR 48 17.804 2.232 2.166 372 H THR 49 H THR 49 11.453 -4.112 1.745 373 HA THR 49 HA THR 49 12.748 -6.195 3.198 374 HB THR 49 HB THR 49 11.185 -7.662 2.136 375 HG1 THR 49 HG1 THR 49 9.731 -6.645 0.560 376 HG21 THR 49 HG21 THR 49 9.230 -5.534 2.257 377 HG22 THR 49 HG22 THR 49 10.333 -5.529 3.658 378 HG23 THR 49 HG23 THR 49 9.397 -6.980 3.298 379 H ASP 50 H ASP 50 13.460 -8.246 1.852 380 HA ASP 50 HA ASP 50 15.720 -7.546 0.379 381 HB2 ASP 50 HB3 ASP 50 15.735 -9.777 1.092 382 HB3 ASP 50 HB2 ASP 50 14.074 -10.062 0.687 383 H ALA 51 H ALA 51 12.415 -8.066 -0.690 384 HA ALA 51 HA ALA 51 12.947 -8.070 -3.493 385 HB1 ALA 51 HB1 ALA 51 10.837 -8.681 -3.611 386 HB2 ALA 51 HB2 ALA 51 10.327 -7.139 -2.962 387 HB3 ALA 51 HB3 ALA 51 10.681 -8.468 -1.859 388 H ASN 52 H ASN 52 11.833 -5.586 -1.206 389 HA ASN 52 HA ASN 52 11.505 -3.499 -3.092 390 HB2 ASN 52 HB3 ASN 52 12.231 -3.369 -0.158 391 HB3 ASN 52 HB2 ASN 52 11.769 -1.936 -1.099 392 HD21 ASN 52 HD21 ASN 52 9.986 -4.092 -2.513 393 HD22 ASN 52 HD22 ASN 52 8.584 -4.146 -1.504 394 H LYS 53 H LYS 53 14.344 -4.442 -1.111 395 HA LYS 53 HA LYS 53 16.036 -2.320 -1.881 396 HB2 LYS 53 HB3 LYS 53 17.860 -4.045 -1.362 397 HB3 LYS 53 HB2 LYS 53 16.696 -3.718 -0.043 398 HG2 LYS 53 HG3 LYS 53 15.605 -5.815 -0.462 399 HG3 LYS 53 HG2 LYS 53 16.519 -6.092 -1.926 400 HD2 LYS 53 HD3 LYS 53 17.685 -7.369 -0.473 401 HD3 LYS 53 HD2 LYS 53 18.550 -5.848 -0.255 402 HE2 LYS 53 HE3 LYS 53 18.070 -5.903 1.932 403 HE3 LYS 53 HE2 LYS 53 16.325 -5.832 1.548 404 HZ1 LYS 53 HZ1 LYS 53 17.849 -8.059 2.524 405 HZ2 LYS 53 HZ2 LYS 53 17.009 -8.431 1.105 406 HZ3 LYS 53 HZ3 LYS 53 16.179 -7.818 2.446 407 H ASN 54 H ASN 54 15.102 -5.319 -3.512 408 HA ASN 54 HA ASN 54 17.110 -5.192 -5.493 409 HB2 ASN 54 HB3 ASN 54 14.518 -6.714 -5.443 410 HB3 ASN 54 HB2 ASN 54 15.803 -6.955 -6.617 411 HD21 ASN 54 HD21 ASN 54 17.154 -6.166 -3.704 412 HD22 ASN 54 HD22 ASN 54 17.443 -7.763 -3.114 413 H LYS 55 H LYS 55 14.199 -3.600 -4.924 414 HA LYS 55 HA LYS 55 13.117 -1.952 -6.086 415 HB2 LYS 55 HB3 LYS 55 15.449 -2.386 -7.992 416 HB3 LYS 55 HB2 LYS 55 14.164 -1.265 -8.367 417 HG2 LYS 55 HG3 LYS 55 14.946 0.310 -6.901 418 HG3 LYS 55 HG2 LYS 55 15.318 -0.921 -5.664 419 HD2 LYS 55 HD3 LYS 55 17.016 -0.098 -8.006 420 HD3 LYS 55 HD2 LYS 55 17.383 -0.042 -6.302 421 HE2 LYS 55 HE3 LYS 55 17.015 -2.644 -6.452 422 HE3 LYS 55 HE2 LYS 55 17.304 -2.411 -8.175 423 HZ1 LYS 55 HZ1 LYS 55 19.419 -2.866 -7.281 424 HZ2 LYS 55 HZ2 LYS 55 19.141 -1.876 -5.879 425 HZ3 LYS 55 HZ3 LYS 55 19.385 -1.161 -7.393 426 H GLY 56 H GLY 56 11.706 -4.023 -6.103 427 HA2 GLY 56 HA3 GLY 56 11.264 -5.514 -8.367 428 HA3 GLY 56 HA2 GLY 56 10.039 -5.120 -7.216 429 H ILE 57 H ILE 57 8.419 -3.745 -7.831 430 HA ILE 57 HA ILE 57 8.884 -1.951 -10.055 431 HB ILE 57 HB ILE 57 7.754 -4.405 -10.634 432 HG12 ILE 57 HG13 ILE 57 8.645 -3.283 -12.437 433 HG13 ILE 57 HG12 ILE 57 6.911 -2.934 -12.685 434 HG21 ILE 57 HG21 ILE 57 5.679 -4.020 -9.635 435 HG22 ILE 57 HG22 ILE 57 5.409 -3.712 -11.329 436 HG23 ILE 57 HG23 ILE 57 5.589 -2.389 -10.178 437 HD11 ILE 57 HD11 ILE 57 7.117 -0.748 -12.168 438 HD12 ILE 57 HD12 ILE 57 8.779 -1.043 -12.684 439 HD13 ILE 57 HD13 ILE 57 8.401 -1.058 -11.004 440 H THR 58 H THR 58 6.910 -0.600 -10.508 441 HA THR 58 HA THR 58 6.029 0.491 -8.002 442 HB THR 58 HB THR 58 6.455 1.465 -10.634 443 HG1 THR 58 HG1 THR 58 5.935 3.500 -9.577 444 HG21 THR 58 HG21 THR 58 4.072 0.915 -11.157 445 HG22 THR 58 HG22 THR 58 4.457 2.664 -11.199 446 HG23 THR 58 HG23 THR 58 3.567 1.949 -9.801 447 H TRP 59 H TRP 59 4.374 -0.283 -6.965 448 HA TRP 59 HA TRP 59 2.404 -2.030 -8.108 449 HB2 TRP 59 HB3 TRP 59 1.725 -0.600 -5.609 450 HB3 TRP 59 HB2 TRP 59 1.731 -2.313 -5.916 451 HD1 TRP 59 HD1 TRP 59 4.186 0.519 -4.947 452 HE1 TRP 59 HE1 TRP 59 6.223 -0.514 -3.850 453 HE3 TRP 59 HE3 TRP 59 3.066 -4.410 -5.666 454 HZ2 TRP 59 HZ2 TRP 59 7.264 -3.112 -3.293 455 HZ3 TRP 59 HZ3 TRP 59 4.628 -6.145 -4.806 456 HH2 TRP 59 HH2 TRP 59 6.685 -5.502 -3.658 457 H LYS 60 H LYS 60 1.011 -1.378 -9.528 458 HA LYS 60 HA LYS 60 -0.283 1.277 -9.268 459 HB2 LYS 60 HB3 LYS 60 0.063 1.400 -11.502 460 HB3 LYS 60 HB2 LYS 60 0.670 -0.285 -11.510 461 HG2 LYS 60 HG3 LYS 60 -1.057 -0.612 -12.873 462 HG3 LYS 60 HG2 LYS 60 -2.001 -0.724 -11.401 463 HD2 LYS 60 HD3 LYS 60 -3.103 1.154 -11.769 464 HD3 LYS 60 HD2 LYS 60 -1.689 1.985 -12.326 465 HE2 LYS 60 HE3 LYS 60 -2.302 0.051 -14.262 466 HE3 LYS 60 HE2 LYS 60 -3.810 0.929 -13.867 467 HZ1 LYS 60 HZ1 LYS 60 -1.895 1.765 -15.594 468 HZ2 LYS 60 HZ2 LYS 60 -1.504 2.656 -14.226 469 HZ3 LYS 60 HZ3 LYS 60 -3.073 2.764 -14.918 470 H GLU 61 H GLU 61 -2.618 1.291 -10.105 471 HA GLU 61 HA GLU 61 -4.186 -0.205 -8.325 472 HB2 GLU 61 HB3 GLU 61 -4.618 1.976 -10.039 473 HB3 GLU 61 HB2 GLU 61 -5.645 0.702 -10.716 474 HG2 GLU 61 HG3 GLU 61 -5.932 0.716 -7.855 475 HG3 GLU 61 HG2 GLU 61 -6.127 2.367 -8.467 476 H GLU 62 H GLU 62 -3.975 -0.484 -11.879 477 HA GLU 62 HA GLU 62 -5.575 -2.803 -12.071 478 HB2 GLU 62 HB3 GLU 62 -5.093 -2.775 -14.319 479 HB3 GLU 62 HB2 GLU 62 -4.716 -1.139 -13.905 480 HG2 GLU 62 HG3 GLU 62 -2.322 -1.716 -13.684 481 HG3 GLU 62 HG2 GLU 62 -2.754 -3.360 -14.258 482 H THR 63 H THR 63 -2.030 -2.367 -11.881 483 HA THR 63 HA THR 63 -1.341 -5.077 -12.216 484 HB THR 63 HB THR 63 -0.015 -2.668 -11.774 485 HG1 THR 63 HG1 THR 63 1.368 -3.738 -12.986 486 HG21 THR 63 HG21 THR 63 1.551 -2.965 -10.028 487 HG22 THR 63 HG22 THR 63 1.266 -4.718 -9.978 488 HG23 THR 63 HG23 THR 63 0.069 -3.568 -9.333 489 H LEU 64 H LEU 64 -2.470 -3.289 -9.475 490 HA LEU 64 HA LEU 64 -1.694 -5.124 -7.447 491 HB2 LEU 64 HB3 LEU 64 -3.176 -2.605 -7.642 492 HB3 LEU 64 HB2 LEU 64 -3.867 -3.730 -6.446 493 HG LEU 64 HG LEU 64 -1.033 -2.729 -6.486 494 HD11 LEU 64 HD11 LEU 64 -2.125 -0.945 -5.559 495 HD12 LEU 64 HD12 LEU 64 -2.025 -1.964 -4.154 496 HD13 LEU 64 HD13 LEU 64 -3.513 -1.948 -5.078 497 HD21 LEU 64 HD21 LEU 64 -0.710 -3.907 -4.445 498 HD22 LEU 64 HD22 LEU 64 -1.243 -5.035 -5.684 499 HD23 LEU 64 HD23 LEU 64 -2.376 -4.508 -4.469 500 H MET 65 H MET 65 -4.523 -4.677 -9.511 501 HA MET 65 HA MET 65 -6.312 -6.382 -8.142 502 HB2 MET 65 HB3 MET 65 -6.056 -5.573 -11.062 503 HB3 MET 65 HB2 MET 65 -7.360 -6.607 -10.440 504 HG2 MET 65 HG3 MET 65 -6.789 -3.776 -9.735 505 HG3 MET 65 HG2 MET 65 -8.227 -4.415 -10.578 506 HE1 MET 65 HE1 MET 65 -6.697 -3.243 -7.382 507 HE2 MET 65 HE2 MET 65 -6.232 -4.917 -7.080 508 HE3 MET 65 HE3 MET 65 -7.474 -4.176 -6.095 509 H GLU 66 H GLU 66 -3.903 -7.007 -10.666 510 HA GLU 66 HA GLU 66 -4.535 -9.824 -10.752 511 HB2 GLU 66 HB3 GLU 66 -2.310 -9.860 -12.068 512 HB3 GLU 66 HB2 GLU 66 -3.710 -9.005 -12.769 513 HG2 GLU 66 HG3 GLU 66 -2.816 -6.897 -12.097 514 HG3 GLU 66 HG2 GLU 66 -1.454 -7.698 -11.227 515 H TYR 67 H TYR 67 -2.136 -7.774 -9.218 516 HA TYR 67 HA TYR 67 -0.382 -9.801 -8.261 517 HB2 TYR 67 HB3 TYR 67 0.568 -7.753 -7.980 518 HB3 TYR 67 HB2 TYR 67 -0.956 -6.974 -7.629 519 HD1 TYR 67 HD1 TYR 67 1.969 -8.673 -6.301 520 HD2 TYR 67 HD2 TYR 67 -1.871 -7.031 -5.317 521 HE1 TYR 67 HE1 TYR 67 2.602 -8.697 -3.877 522 HE2 TYR 67 HE2 TYR 67 -1.256 -7.089 -2.941 523 HH TYR 67 HH TYR 67 0.607 -7.201 -1.431 524 H LEU 68 H LEU 68 -3.576 -8.810 -7.273 525 HA LEU 68 HA LEU 68 -3.487 -9.616 -4.577 526 HB2 LEU 68 HB3 LEU 68 -5.709 -9.317 -6.580 527 HB3 LEU 68 HB2 LEU 68 -6.052 -9.970 -4.988 528 HG LEU 68 HG LEU 68 -4.795 -7.297 -5.476 529 HD11 LEU 68 HD11 LEU 68 -6.890 -6.292 -5.067 530 HD12 LEU 68 HD12 LEU 68 -7.648 -7.880 -4.712 531 HD13 LEU 68 HD13 LEU 68 -7.092 -7.480 -6.371 532 HD21 LEU 68 HD21 LEU 68 -4.255 -8.239 -3.314 533 HD22 LEU 68 HD22 LEU 68 -5.930 -8.614 -2.987 534 HD23 LEU 68 HD23 LEU 68 -5.378 -6.916 -3.148 535 H GLU 69 H GLU 69 -3.394 -11.420 -7.433 536 HA GLU 69 HA GLU 69 -4.709 -13.785 -6.700 537 HB2 GLU 69 HB3 GLU 69 -3.348 -12.899 -8.919 538 HB3 GLU 69 HB2 GLU 69 -2.260 -14.164 -8.341 539 HG2 GLU 69 HG3 GLU 69 -4.110 -15.772 -8.418 540 HG3 GLU 69 HG2 GLU 69 -5.194 -14.501 -8.978 541 H ASN 70 H ASN 70 -1.158 -13.686 -7.076 542 HA ASN 70 HA ASN 70 -0.923 -15.217 -4.528 543 HB2 ASN 70 HB3 ASN 70 0.466 -15.515 -7.145 544 HB3 ASN 70 HB2 ASN 70 1.278 -15.989 -5.638 545 HD21 ASN 70 HD21 ASN 70 -1.037 -16.842 -8.014 546 HD22 ASN 70 HD22 ASN 70 -1.588 -18.345 -7.241 547 HA PRO 71 HA PRO 71 1.090 -11.206 -3.560 548 HB2 PRO 71 HB3 PRO 71 1.070 -12.618 -0.938 549 HB3 PRO 71 HB2 PRO 71 0.657 -10.975 -1.309 550 HG2 PRO 71 HG3 PRO 71 -1.255 -12.791 -0.837 551 HG3 PRO 71 HG2 PRO 71 -1.447 -11.525 -2.066 552 HD2 PRO 71 HD3 PRO 71 -0.803 -14.420 -2.377 553 HD3 PRO 71 HD2 PRO 71 -1.827 -13.386 -3.421 554 H LYS 72 H LYS 72 2.052 -14.475 -2.744 555 HA LYS 72 HA LYS 72 4.755 -13.759 -2.106 556 HB2 LYS 72 HB3 LYS 72 4.739 -15.791 -1.149 557 HB3 LYS 72 HB2 LYS 72 3.091 -16.021 -1.729 558 HG2 LYS 72 HG3 LYS 72 4.101 -17.841 -2.598 559 HG3 LYS 72 HG2 LYS 72 4.284 -16.740 -3.955 560 HD2 LYS 72 HD3 LYS 72 6.482 -16.428 -2.156 561 HD3 LYS 72 HD2 LYS 72 6.325 -18.155 -2.526 562 HE2 LYS 72 HE3 LYS 72 5.952 -16.708 -4.952 563 HE3 LYS 72 HE2 LYS 72 7.355 -15.977 -4.142 564 HZ1 LYS 72 HZ1 LYS 72 8.341 -18.175 -3.942 565 HZ2 LYS 72 HZ2 LYS 72 8.000 -17.833 -5.584 566 HZ3 LYS 72 HZ3 LYS 72 6.985 -18.886 -4.664 567 H LYS 73 H LYS 73 2.934 -14.646 -4.932 568 HA LYS 73 HA LYS 73 5.136 -15.542 -6.560 569 HB2 LYS 73 HB3 LYS 73 3.588 -15.673 -8.272 570 HB3 LYS 73 HB2 LYS 73 2.518 -15.766 -6.880 571 HG2 LYS 73 HG3 LYS 73 1.407 -14.219 -8.017 572 HG3 LYS 73 HG2 LYS 73 2.551 -13.122 -7.283 573 HD2 LYS 73 HD3 LYS 73 2.169 -12.879 -9.807 574 HD3 LYS 73 HD2 LYS 73 3.833 -12.962 -9.204 575 HE2 LYS 73 HE3 LYS 73 3.341 -14.343 -11.222 576 HE3 LYS 73 HE2 LYS 73 4.082 -15.173 -9.906 577 HZ1 LYS 73 HZ1 LYS 73 1.742 -15.855 -9.214 578 HZ2 LYS 73 HZ2 LYS 73 2.351 -16.554 -10.627 579 HZ3 LYS 73 HZ3 LYS 73 1.273 -15.309 -10.764 580 H TYR 74 H TYR 74 3.852 -12.396 -5.788 581 HA TYR 74 HA TYR 74 5.335 -11.096 -7.887 582 HB2 TYR 74 HB3 TYR 74 3.372 -10.271 -5.784 583 HB3 TYR 74 HB2 TYR 74 4.584 -9.052 -6.235 584 HD1 TYR 74 HD1 TYR 74 2.064 -11.372 -7.748 585 HD2 TYR 74 HD2 TYR 74 4.183 -7.748 -8.127 586 HE1 TYR 74 HE1 TYR 74 0.711 -10.835 -9.738 587 HE2 TYR 74 HE2 TYR 74 2.844 -7.147 -10.092 588 HH TYR 74 HH TYR 74 0.609 -9.450 -11.565 589 H ILE 75 H ILE 75 5.575 -11.394 -4.379 590 HA ILE 75 HA ILE 75 8.368 -10.590 -4.577 591 HB ILE 75 HB ILE 75 6.410 -9.633 -2.536 592 HG12 ILE 75 HG13 ILE 75 6.400 -8.143 -4.332 593 HG13 ILE 75 HG12 ILE 75 7.583 -7.415 -3.232 594 HG21 ILE 75 HG21 ILE 75 8.389 -8.571 -1.450 595 HG22 ILE 75 HG22 ILE 75 9.379 -9.686 -2.352 596 HG23 ILE 75 HG23 ILE 75 8.197 -10.279 -1.187 597 HD11 ILE 75 HD11 ILE 75 8.887 -7.345 -5.049 598 HD12 ILE 75 HD12 ILE 75 7.978 -8.533 -5.909 599 HD13 ILE 75 HD13 ILE 75 9.180 -9.080 -4.716 600 HA PRO 76 HA PRO 76 7.925 -14.798 -2.524 601 HB2 PRO 76 HB3 PRO 76 10.596 -15.011 -3.769 602 HB3 PRO 76 HB2 PRO 76 9.281 -16.161 -3.820 603 HG2 PRO 76 HG3 PRO 76 9.940 -14.674 -5.980 604 HG3 PRO 76 HG2 PRO 76 8.252 -15.036 -5.559 605 HD2 PRO 76 HD3 PRO 76 9.811 -12.506 -5.183 606 HD3 PRO 76 HD2 PRO 76 8.108 -12.725 -5.661 607 H GLY 77 H GLY 77 8.546 -15.205 -0.537 608 HA2 GLY 77 HA3 GLY 77 10.303 -15.368 1.121 609 HA3 GLY 77 HA2 GLY 77 11.059 -13.966 0.435 610 H THR 78 H THR 78 8.215 -12.811 0.283 611 HA THR 78 HA THR 78 8.279 -11.710 3.000 612 HB THR 78 HB THR 78 8.080 -10.467 0.590 613 HG1 THR 78 HG1 THR 78 7.134 -9.432 3.015 614 HG21 THR 78 HG21 THR 78 5.648 -11.273 0.561 615 HG22 THR 78 HG22 THR 78 6.001 -9.587 0.209 616 HG23 THR 78 HG23 THR 78 5.422 -10.072 1.806 617 H LYS 79 H LYS 79 6.795 -12.193 4.482 618 HA LYS 79 HA LYS 79 4.395 -13.633 3.580 619 HB2 LYS 79 HB3 LYS 79 6.095 -14.615 5.273 620 HB3 LYS 79 HB2 LYS 79 5.288 -13.554 6.403 621 HG2 LYS 79 HG3 LYS 79 4.523 -16.014 6.137 622 HG3 LYS 79 HG2 LYS 79 3.314 -14.749 6.334 623 HD2 LYS 79 HD3 LYS 79 2.787 -16.404 4.500 624 HD3 LYS 79 HD2 LYS 79 2.946 -14.746 3.926 625 HE2 LYS 79 HE3 LYS 79 4.028 -16.407 2.475 626 HE3 LYS 79 HE2 LYS 79 5.147 -15.140 3.101 627 HZ1 LYS 79 HZ1 LYS 79 6.045 -17.405 3.149 628 HZ2 LYS 79 HZ2 LYS 79 4.854 -17.832 4.307 629 HZ3 LYS 79 HZ3 LYS 79 6.004 -16.667 4.646 630 H MET 80 H MET 80 2.371 -12.960 4.108 631 HA MET 80 HA MET 80 2.226 -10.316 5.388 632 HB2 MET 80 HB3 MET 80 0.523 -11.701 3.370 633 HB3 MET 80 HB2 MET 80 -0.224 -10.493 4.365 634 HG2 MET 80 HG3 MET 80 2.309 -9.959 2.832 635 HG3 MET 80 HG2 MET 80 0.733 -9.800 2.058 636 HE1 MET 80 HE1 MET 80 -0.590 -8.174 2.006 637 HE2 MET 80 HE2 MET 80 -0.015 -6.525 2.281 638 HE3 MET 80 HE3 MET 80 -1.151 -7.299 3.450 639 H ILE 81 H ILE 81 1.764 -10.375 7.052 640 HA ILE 81 HA ILE 81 -0.053 -12.466 8.440 641 HB ILE 81 HB ILE 81 1.854 -10.729 10.055 642 HG12 ILE 81 HG13 ILE 81 3.000 -13.041 10.280 643 HG13 ILE 81 HG12 ILE 81 2.115 -13.514 8.870 644 HG21 ILE 81 HG21 ILE 81 0.029 -11.481 11.432 645 HG22 ILE 81 HG22 ILE 81 1.416 -12.480 11.830 646 HG23 ILE 81 HG23 ILE 81 0.123 -13.083 10.776 647 HD11 ILE 81 HD11 ILE 81 3.248 -11.036 8.229 648 HD12 ILE 81 HD12 ILE 81 3.721 -12.628 7.634 649 HD13 ILE 81 HD13 ILE 81 4.495 -11.958 9.101 650 H PHE 82 H PHE 82 -2.018 -11.904 9.245 651 HA PHE 82 HA PHE 82 -3.559 -10.613 10.496 652 HB2 PHE 82 HB3 PHE 82 -1.427 -8.976 10.778 653 HB3 PHE 82 HB2 PHE 82 -2.334 -8.067 9.554 654 HD1 PHE 82 HD1 PHE 82 -3.912 -6.507 10.228 655 HD2 PHE 82 HD2 PHE 82 -2.871 -9.748 12.799 656 HE1 PHE 82 HE1 PHE 82 -5.299 -5.525 12.003 657 HE2 PHE 82 HE2 PHE 82 -4.264 -8.800 14.567 658 HZ PHE 82 HZ PHE 82 -5.495 -6.683 14.170 659 H ALA 83 H ALA 83 -5.161 -8.791 9.796 660 HA ALA 83 HA ALA 83 -5.735 -7.660 7.563 661 HB1 ALA 83 HB1 ALA 83 -6.693 -9.637 6.038 662 HB2 ALA 83 HB2 ALA 83 -5.426 -10.526 6.871 663 HB3 ALA 83 HB3 ALA 83 -5.009 -9.110 5.956 664 H GLY 84 H GLY 84 -7.272 -6.953 9.146 665 HA2 GLY 84 HA3 GLY 84 -9.359 -8.701 10.020 666 HA3 GLY 84 HA2 GLY 84 -9.259 -6.957 10.298 667 H ILE 85 H ILE 85 -9.109 -8.391 7.098 668 HA ILE 85 HA ILE 85 -11.830 -7.408 6.599 669 HB ILE 85 HB ILE 85 -9.449 -6.979 4.833 670 HG12 ILE 85 HG13 ILE 85 -9.641 -5.402 6.756 671 HG13 ILE 85 HG12 ILE 85 -9.867 -4.599 5.182 672 HG21 ILE 85 HG21 ILE 85 -11.906 -7.465 3.881 673 HG22 ILE 85 HG22 ILE 85 -10.739 -6.385 3.084 674 HG23 ILE 85 HG23 ILE 85 -12.008 -5.754 4.110 675 HD11 ILE 85 HD11 ILE 85 -12.270 -4.636 5.583 676 HD12 ILE 85 HD12 ILE 85 -11.464 -3.813 6.885 677 HD13 ILE 85 HD13 ILE 85 -12.053 -5.464 7.084 678 H LYS 86 H LYS 86 -13.122 -8.913 5.685 679 HA LYS 86 HA LYS 86 -11.852 -11.062 4.170 680 HB2 LYS 86 HB3 LYS 86 -13.781 -12.508 4.986 681 HB3 LYS 86 HB2 LYS 86 -12.527 -12.096 6.174 682 HG2 LYS 86 HG3 LYS 86 -13.887 -10.521 7.231 683 HG3 LYS 86 HG2 LYS 86 -15.051 -10.510 5.904 684 HD2 LYS 86 HD3 LYS 86 -15.372 -13.010 6.475 685 HD3 LYS 86 HD2 LYS 86 -14.618 -12.556 7.990 686 HE2 LYS 86 HE3 LYS 86 -16.515 -11.743 8.755 687 HE3 LYS 86 HE2 LYS 86 -16.621 -10.607 7.400 688 HZ1 LYS 86 HZ1 LYS 86 -18.552 -11.900 7.274 689 HZ2 LYS 86 HZ2 LYS 86 -17.765 -13.320 7.710 690 HZ3 LYS 86 HZ3 LYS 86 -17.508 -12.690 6.193 691 H LYS 87 H LYS 87 -12.593 -8.855 2.798 692 HA LYS 87 HA LYS 87 -14.625 -9.883 1.072 693 HB2 LYS 87 HB3 LYS 87 -15.147 -7.577 2.880 694 HB3 LYS 87 HB2 LYS 87 -15.799 -7.534 1.253 695 HG2 LYS 87 HG3 LYS 87 -17.099 -9.440 1.611 696 HG3 LYS 87 HG2 LYS 87 -16.287 -9.814 3.142 697 HD2 LYS 87 HD3 LYS 87 -17.301 -8.081 4.313 698 HD3 LYS 87 HD2 LYS 87 -17.706 -7.166 2.813 699 HE2 LYS 87 HE3 LYS 87 -19.220 -9.141 2.212 700 HE3 LYS 87 HE2 LYS 87 -19.041 -9.647 3.921 701 HZ1 LYS 87 HZ1 LYS 87 -19.854 -7.479 4.619 702 HZ2 LYS 87 HZ2 LYS 87 -21.017 -8.300 3.672 703 HZ3 LYS 87 HZ3 LYS 87 -20.132 -7.020 3.008 704 H LYS 88 H LYS 88 -13.822 -9.611 -0.881 705 HA LYS 88 HA LYS 88 -11.595 -8.113 -1.562 706 HB2 LYS 88 HB3 LYS 88 -11.899 -9.071 -3.558 707 HB3 LYS 88 HB2 LYS 88 -13.393 -9.794 -2.883 708 HG2 LYS 88 HG3 LYS 88 -13.430 -7.065 -4.131 709 HG3 LYS 88 HG2 LYS 88 -13.485 -8.497 -5.160 710 HD2 LYS 88 HD3 LYS 88 -15.359 -9.189 -3.321 711 HD3 LYS 88 HD2 LYS 88 -15.499 -7.423 -3.224 712 HE2 LYS 88 HE3 LYS 88 -15.932 -7.263 -5.608 713 HE3 LYS 88 HE2 LYS 88 -15.597 -8.942 -5.864 714 HZ1 LYS 88 HZ1 LYS 88 -18.028 -7.824 -5.445 715 HZ2 LYS 88 HZ2 LYS 88 -17.651 -8.450 -3.855 716 HZ3 LYS 88 HZ3 LYS 88 -17.677 -9.453 -5.210 717 H THR 89 H THR 89 -15.024 -7.189 -1.564 718 HA THR 89 HA THR 89 -14.673 -4.678 -2.927 719 HB THR 89 HB THR 89 -16.836 -6.023 -2.318 720 HG1 THR 89 HG1 THR 89 -17.189 -4.164 -3.363 721 HG21 THR 89 HG21 THR 89 -17.219 -4.176 -0.033 722 HG22 THR 89 HG22 THR 89 -16.198 -5.610 0.270 723 HG23 THR 89 HG23 THR 89 -17.878 -5.747 -0.318 724 H GLU 90 H GLU 90 -13.975 -5.718 0.318 725 HA GLU 90 HA GLU 90 -14.003 -3.112 1.515 726 HB2 GLU 90 HB3 GLU 90 -12.646 -5.633 2.444 727 HB3 GLU 90 HB2 GLU 90 -12.873 -4.171 3.405 728 HG2 GLU 90 HG3 GLU 90 -15.220 -5.553 2.211 729 HG3 GLU 90 HG2 GLU 90 -14.530 -6.149 3.744 730 H ARG 91 H ARG 91 -11.482 -5.298 0.321 731 HA ARG 91 HA ARG 91 -9.274 -3.614 0.848 732 HB2 ARG 91 HB3 ARG 91 -9.713 -6.015 -1.044 733 HB3 ARG 91 HB2 ARG 91 -8.154 -5.084 -0.878 734 HG2 ARG 91 HG3 ARG 91 -8.593 -5.691 1.716 735 HG3 ARG 91 HG2 ARG 91 -9.385 -7.063 0.914 736 HD2 ARG 91 HD3 ARG 91 -6.749 -6.868 -0.374 737 HD3 ARG 91 HD2 ARG 91 -6.641 -6.589 1.362 738 HE ARG 91 HE ARG 91 -7.964 -8.711 1.410 739 HH11 ARG 91 HH11 ARG 91 -5.575 -7.774 -0.946 740 HH12 ARG 91 HH12 ARG 91 -5.033 -9.325 -1.212 741 HH21 ARG 91 HH21 ARG 91 -7.274 -10.853 1.020 742 HH22 ARG 91 HH22 ARG 91 -6.014 -11.155 -0.113 743 H GLU 92 H GLU 92 -11.203 -4.199 -2.047 744 HA GLU 92 HA GLU 92 -9.745 -2.576 -3.860 745 HB2 GLU 92 HB3 GLU 92 -12.744 -2.915 -3.886 746 HB3 GLU 92 HB2 GLU 92 -11.735 -2.555 -5.228 747 HG2 GLU 92 HG3 GLU 92 -12.458 -5.107 -4.080 748 HG3 GLU 92 HG2 GLU 92 -11.729 -4.736 -5.652 749 H ASP 93 H ASP 93 -12.276 -1.739 -1.553 750 HA ASP 93 HA ASP 93 -12.730 0.874 -2.349 751 HB2 ASP 93 HB3 ASP 93 -13.676 -0.720 -0.300 752 HB3 ASP 93 HB2 ASP 93 -12.788 0.471 0.561 753 H GLY 94 H GLY 94 -10.377 -0.386 0.033 754 HA2 GLY 94 HA3 GLY 94 -9.294 2.096 0.824 755 HA3 GLY 94 HA2 GLY 94 -8.424 0.532 0.874 756 H ILE 95 H ILE 95 -8.644 0.082 -2.047 757 HA ILE 95 HA ILE 95 -6.250 1.310 -2.901 758 HB ILE 95 HB ILE 95 -8.430 0.272 -4.691 759 HG12 ILE 95 HG13 ILE 95 -6.808 -1.125 -2.765 760 HG13 ILE 95 HG12 ILE 95 -8.150 -1.703 -3.711 761 HG21 ILE 95 HG21 ILE 95 -6.849 0.072 -6.358 762 HG22 ILE 95 HG22 ILE 95 -5.505 0.024 -5.202 763 HG23 ILE 95 HG23 ILE 95 -6.313 1.546 -5.552 764 HD11 ILE 95 HD11 ILE 95 -6.355 -3.097 -4.276 765 HD12 ILE 95 HD12 ILE 95 -5.265 -1.711 -4.399 766 HD13 ILE 95 HD13 ILE 95 -6.502 -1.909 -5.590 767 H ALA 96 H ALA 96 -9.628 2.134 -3.605 768 HA ALA 96 HA ALA 96 -9.167 4.254 -5.429 769 HB1 ALA 96 HB1 ALA 96 -11.377 4.212 -3.394 770 HB2 ALA 96 HB2 ALA 96 -11.399 3.186 -4.869 771 HB3 ALA 96 HB3 ALA 96 -11.365 4.979 -4.983 772 H TYR 97 H TYR 97 -9.293 4.257 -1.860 773 HA TYR 97 HA TYR 97 -9.012 7.056 -1.548 774 HB2 TYR 97 HB3 TYR 97 -9.841 5.840 0.301 775 HB3 TYR 97 HB2 TYR 97 -8.450 4.737 0.302 776 HD1 TYR 97 HD1 TYR 97 -9.946 7.517 1.861 777 HD2 TYR 97 HD2 TYR 97 -6.159 6.003 0.686 778 HE1 TYR 97 HE1 TYR 97 -8.815 8.959 3.515 779 HE2 TYR 97 HE2 TYR 97 -5.013 7.452 2.310 780 HH TYR 97 HH TYR 97 -6.793 9.838 4.137 781 H LEU 98 H LEU 98 -6.743 4.419 -1.815 782 HA LEU 98 HA LEU 98 -4.389 5.867 -1.082 783 HB2 LEU 98 HB3 LEU 98 -5.073 3.225 -1.910 784 HB3 LEU 98 HB2 LEU 98 -3.837 3.813 -3.069 785 HG LEU 98 HG LEU 98 -3.274 4.293 -0.193 786 HD11 LEU 98 HD11 LEU 98 -2.248 1.843 -0.327 787 HD12 LEU 98 HD12 LEU 98 -3.662 1.593 -1.367 788 HD13 LEU 98 HD13 LEU 98 -3.889 2.108 0.278 789 HD21 LEU 98 HD21 LEU 98 -1.489 4.940 -1.459 790 HD22 LEU 98 HD22 LEU 98 -1.802 3.715 -2.742 791 HD23 LEU 98 HD23 LEU 98 -1.066 3.238 -1.199 792 H LYS 99 H LYS 99 -6.100 5.366 -4.178 793 HA LYS 99 HA LYS 99 -4.137 6.365 -5.887 794 HB2 LYS 99 HB3 LYS 99 -6.983 7.029 -6.504 795 HB3 LYS 99 HB2 LYS 99 -5.761 6.225 -7.528 796 HG2 LYS 99 HG3 LYS 99 -6.055 4.230 -5.843 797 HG3 LYS 99 HG2 LYS 99 -7.587 5.030 -5.480 798 HD2 LYS 99 HD3 LYS 99 -6.977 4.750 -8.330 799 HD3 LYS 99 HD2 LYS 99 -7.296 3.199 -7.473 800 HE2 LYS 99 HE3 LYS 99 -9.441 3.765 -7.075 801 HE3 LYS 99 HE2 LYS 99 -9.125 5.526 -7.057 802 HZ1 LYS 99 HZ1 LYS 99 -8.867 5.346 -9.481 803 HZ2 LYS 99 HZ2 LYS 99 -10.429 4.943 -8.975 804 HZ3 LYS 99 HZ3 LYS 99 -9.351 3.697 -9.433 805 H LYS 100 H LYS 100 -6.719 8.046 -4.099 806 HA LYS 100 HA LYS 100 -6.128 10.640 -5.195 807 HB2 LYS 100 HB3 LYS 100 -7.778 9.699 -2.839 808 HB3 LYS 100 HB2 LYS 100 -7.577 11.412 -3.268 809 HG2 LYS 100 HG3 LYS 100 -9.184 11.243 -4.797 810 HG3 LYS 100 HG2 LYS 100 -8.339 9.991 -5.626 811 HD2 LYS 100 HD3 LYS 100 -9.863 8.472 -4.943 812 HD3 LYS 100 HD2 LYS 100 -9.475 8.867 -3.248 813 HE2 LYS 100 HE3 LYS 100 -11.319 10.597 -4.936 814 HE3 LYS 100 HE2 LYS 100 -11.887 9.175 -4.106 815 HZ1 LYS 100 HZ1 LYS 100 -11.783 11.565 -2.976 816 HZ2 LYS 100 HZ2 LYS 100 -10.313 10.948 -2.447 817 HZ3 LYS 100 HZ3 LYS 100 -11.770 10.158 -2.111 818 H ALA 101 H ALA 101 -5.305 8.795 -2.319 819 HA ALA 101 HA ALA 101 -4.134 10.755 -0.756 820 HB1 ALA 101 HB1 ALA 101 -4.569 8.127 -0.404 821 HB2 ALA 101 HB2 ALA 101 -3.463 9.103 0.608 822 HB3 ALA 101 HB3 ALA 101 -2.838 8.068 -0.735 823 H THR 102 H THR 102 -2.916 9.197 -3.609 824 HA THR 102 HA THR 102 -0.300 10.409 -3.189 825 HB THR 102 HB THR 102 0.572 8.713 -4.363 826 HG1 THR 102 HG1 THR 102 -0.476 7.996 -6.332 827 HG21 THR 102 HG21 THR 102 -1.769 7.099 -4.814 828 HG22 THR 102 HG22 THR 102 -1.692 7.726 -3.160 829 HG23 THR 102 HG23 THR 102 -0.333 6.795 -3.790 830 H ASN 103 H ASN 103 -3.269 10.616 -4.822 831 HA ASN 103 HA ASN 103 -2.546 13.145 -5.903 832 HB2 ASN 103 HB3 ASN 103 -2.673 12.703 -8.197 833 HB3 ASN 103 HB2 ASN 103 -1.947 11.188 -7.612 834 HD21 ASN 103 HD21 ASN 103 -3.307 9.331 -7.495 835 HD22 ASN 103 HD22 ASN 103 -4.757 9.250 -8.425 836 H GLU 104 H GLU 104 -4.173 14.246 -5.141 837 HA GLU 104 HA GLU 104 -6.621 14.619 -5.984 838 HB2 GLU 104 HB3 GLU 104 -6.537 12.072 -4.391 839 HB3 GLU 104 HB2 GLU 104 -7.973 13.125 -4.261 840 HG2 GLU 104 HG3 GLU 104 -7.370 11.250 -6.274 841 HG3 GLU 104 HG2 GLU 104 -8.800 12.255 -6.139 842 HHA HEC 201 HHA HEC 201 5.148 -5.244 0.518 843 HHB HEC 201 HHB HEC 201 -0.599 -2.480 0.332 844 HHC HEC 201 HHC HEC 201 -2.194 -6.172 5.239 845 HHD HEC 201 HHD HEC 201 4.012 -5.910 6.836 846 HMA1 HEC 201 HMA1 HEC 201 0.884 -1.177 -1.309 847 HMA2 HEC 201 HMA2 HEC 201 2.473 -0.245 -0.790 848 HMA3 HEC 201 HMA3 HEC 201 2.267 -1.609 -1.619 849 HAA1 HEC 201 HAA1 HEC 201 4.975 -3.021 -1.504 850 HAA2 HEC 201 HAA2 HEC 201 5.529 -2.387 0.065 851 HBA1 HEC 201 HBA1 HEC 201 4.096 -0.273 -0.341 852 HBA2 HEC 201 HBA2 HEC 201 3.825 -0.993 -1.985 853 HMB1 HEC 201 HMB1 HEC 201 -3.752 -2.007 2.017 854 HMB2 HEC 201 HMB2 HEC 201 -3.865 -3.300 0.822 855 HMB3 HEC 201 HMB3 HEC 201 -2.600 -2.032 0.684 856 HAB HEC 201 HAB HEC 201 -4.057 -3.345 4.551 857 HBB1 HEC 201 HBB1 HEC 201 -5.523 -5.275 2.752 858 HBB2 HEC 201 HBB2 HEC 201 -4.874 -3.783 2.039 859 HBB3 HEC 201 HBB3 HEC 201 -5.973 -3.758 3.404 860 HMC1 HEC 201 HMC1 HEC 201 -0.941 -7.631 8.556 861 HMC2 HEC 201 HMC2 HEC 201 -2.034 -7.728 6.974 862 HMC3 HEC 201 HMC3 HEC 201 -0.606 -8.360 7.316 863 HAC HEC 201 HAC HEC 201 2.958 -6.894 8.441 864 HBC1 HEC 201 HBC1 HEC 201 3.231 -9.282 7.884 865 HBC2 HEC 201 HBC2 HEC 201 1.579 -9.591 8.456 866 HBC3 HEC 201 HBC3 HEC 201 2.832 -9.041 9.603 867 HMD1 HEC 201 HMD1 HEC 201 5.944 -7.091 6.409 868 HMD2 HEC 201 HMD2 HEC 201 7.117 -5.785 6.044 869 HMD3 HEC 201 HMD3 HEC 201 7.190 -7.336 5.171 870 HAD1 HEC 201 HAD1 HEC 201 7.916 -6.370 3.219 871 HAD2 HEC 201 HAD2 HEC 201 7.471 -4.971 2.229 872 HBD1 HEC 201 HBD1 HEC 201 7.794 -7.624 1.324 873 HBD2 HEC 201 HBD2 HEC 201 7.247 -6.238 0.404 Start of MODEL 12 1 H1 GLY 1 1H GLY 1 -19.304 3.784 -0.312 2 H2 GLY 1 2H GLY 1 -18.697 3.258 -1.799 3 H3 GLY 1 3H GLY 1 -18.866 4.912 -1.495 4 HA2 GLY 1 HA2 GLY 1 -17.232 3.543 0.440 5 HA3 GLY 1 HA3 GLY 1 -16.582 3.504 -1.192 6 H ASP 2 H ASP 2 -16.548 5.270 1.550 7 HA ASP 2 HA ASP 2 -15.973 7.804 0.247 8 HB2 ASP 2 HB3 ASP 2 -16.567 7.550 3.093 9 HB3 ASP 2 HB2 ASP 2 -16.621 8.970 2.201 10 H VAL 3 H VAL 3 -14.217 9.102 1.107 11 HA VAL 3 HA VAL 3 -11.859 7.603 1.423 12 HB VAL 3 HB VAL 3 -12.551 10.488 1.558 13 HG11 VAL 3 HG11 VAL 3 -11.220 10.559 3.457 14 HG12 VAL 3 HG12 VAL 3 -10.066 10.877 2.162 15 HG13 VAL 3 HG13 VAL 3 -10.160 9.271 2.885 16 HG21 VAL 3 HG21 VAL 3 -11.799 10.210 -0.525 17 HG22 VAL 3 HG22 VAL 3 -11.075 8.647 -0.142 18 HG23 VAL 3 HG23 VAL 3 -10.186 10.135 0.184 19 H GLU 4 H GLU 4 -13.890 9.329 3.733 20 HA GLU 4 HA GLU 4 -12.245 9.071 5.952 21 HB2 GLU 4 HB3 GLU 4 -14.165 10.539 5.985 22 HB3 GLU 4 HB2 GLU 4 -15.257 9.184 5.737 23 HG2 GLU 4 HG3 GLU 4 -14.363 8.280 7.945 24 HG3 GLU 4 HG2 GLU 4 -13.675 9.874 8.179 25 H LYS 5 H LYS 5 -14.786 6.929 4.704 26 HA LYS 5 HA LYS 5 -14.608 5.009 6.763 27 HB2 LYS 5 HB3 LYS 5 -15.479 4.576 3.900 28 HB3 LYS 5 HB2 LYS 5 -15.866 3.552 5.279 29 HG2 LYS 5 HG3 LYS 5 -16.777 5.999 6.082 30 HG3 LYS 5 HG2 LYS 5 -17.126 6.009 4.355 31 HD2 LYS 5 HD3 LYS 5 -17.794 3.509 5.738 32 HD3 LYS 5 HD2 LYS 5 -18.725 4.912 6.267 33 HE2 LYS 5 HE3 LYS 5 -19.997 4.749 4.457 34 HE3 LYS 5 HE2 LYS 5 -18.579 4.990 3.439 35 HZ1 LYS 5 HZ1 LYS 5 -20.104 2.654 3.797 36 HZ2 LYS 5 HZ2 LYS 5 -18.526 2.354 4.326 37 HZ3 LYS 5 HZ3 LYS 5 -18.796 2.913 2.753 38 H GLY 6 H GLY 6 -12.939 5.376 3.681 39 HA2 GLY 6 HA3 GLY 6 -11.670 2.862 3.619 40 HA3 GLY 6 HA2 GLY 6 -11.107 4.311 2.803 41 H LYS 7 H LYS 7 -10.659 5.745 4.767 42 HA LYS 7 HA LYS 7 -8.009 5.130 5.417 43 HB2 LYS 7 HB3 LYS 7 -8.037 7.351 5.644 44 HB3 LYS 7 HB2 LYS 7 -9.793 7.363 5.725 45 HG2 LYS 7 HG3 LYS 7 -9.828 7.429 7.998 46 HG3 LYS 7 HG2 LYS 7 -8.307 6.550 8.158 47 HD2 LYS 7 HD3 LYS 7 -8.690 9.441 7.406 48 HD3 LYS 7 HD2 LYS 7 -7.922 8.800 8.859 49 HE2 LYS 7 HE3 LYS 7 -6.250 7.695 7.290 50 HE3 LYS 7 HE2 LYS 7 -6.915 8.730 6.029 51 HZ1 LYS 7 HZ1 LYS 7 -5.925 9.851 8.578 52 HZ2 LYS 7 HZ2 LYS 7 -6.166 10.641 7.103 53 HZ3 LYS 7 HZ3 LYS 7 -4.880 9.557 7.280 54 H LYS 8 H LYS 8 -10.821 4.948 7.513 55 HA LYS 8 HA LYS 8 -9.865 3.831 9.925 56 HB2 LYS 8 HB3 LYS 8 -12.002 4.574 10.219 57 HB3 LYS 8 HB2 LYS 8 -12.499 4.120 8.596 58 HG2 LYS 8 HG3 LYS 8 -11.893 1.915 10.466 59 HG3 LYS 8 HG2 LYS 8 -13.348 2.859 10.784 60 HD2 LYS 8 HD3 LYS 8 -14.260 2.340 8.661 61 HD3 LYS 8 HD2 LYS 8 -12.723 1.692 8.082 62 HE2 LYS 8 HE3 LYS 8 -13.968 0.443 10.476 63 HE3 LYS 8 HE2 LYS 8 -14.684 0.114 8.898 64 HZ1 LYS 8 HZ1 LYS 8 -11.802 -0.259 9.484 65 HZ2 LYS 8 HZ2 LYS 8 -12.654 -0.794 8.125 66 HZ3 LYS 8 HZ3 LYS 8 -12.946 -1.496 9.635 67 H ILE 9 H ILE 9 -10.971 2.395 6.895 68 HA ILE 9 HA ILE 9 -11.001 -0.283 7.716 69 HB ILE 9 HB ILE 9 -10.798 1.073 5.079 70 HG12 ILE 9 HG13 ILE 9 -12.642 -1.067 6.169 71 HG13 ILE 9 HG12 ILE 9 -12.978 0.662 6.188 72 HG21 ILE 9 HG21 ILE 9 -10.529 -1.860 5.357 73 HG22 ILE 9 HG22 ILE 9 -9.157 -0.842 5.096 74 HG23 ILE 9 HG23 ILE 9 -10.424 -0.930 3.872 75 HD11 ILE 9 HD11 ILE 9 -13.136 -1.225 4.017 76 HD12 ILE 9 HD12 ILE 9 -12.484 0.301 3.568 77 HD13 ILE 9 HD13 ILE 9 -14.086 0.182 4.299 78 H PHE 10 H PHE 10 -8.444 1.672 6.251 79 HA PHE 10 HA PHE 10 -6.501 -0.375 6.102 80 HB2 PHE 10 HB3 PHE 10 -5.911 1.398 4.768 81 HB3 PHE 10 HB2 PHE 10 -6.468 2.576 5.877 82 HD1 PHE 10 HD1 PHE 10 -3.652 1.337 4.423 83 HD2 PHE 10 HD2 PHE 10 -5.114 2.540 8.235 84 HE1 PHE 10 HE1 PHE 10 -1.344 1.727 5.182 85 HE2 PHE 10 HE2 PHE 10 -2.808 2.932 9.002 86 HZ PHE 10 HZ PHE 10 -0.919 2.525 7.473 87 H VAL 11 H VAL 11 -7.341 1.951 8.593 88 HA VAL 11 HA VAL 11 -5.170 1.780 10.264 89 HB VAL 11 HB VAL 11 -8.087 2.034 10.983 90 HG11 VAL 11 HG11 VAL 11 -5.637 2.218 12.710 91 HG12 VAL 11 HG12 VAL 11 -7.096 1.261 12.969 92 HG13 VAL 11 HG13 VAL 11 -7.150 3.017 13.136 93 HG21 VAL 11 HG21 VAL 11 -6.203 3.806 9.825 94 HG22 VAL 11 HG22 VAL 11 -6.536 4.372 11.463 95 HG23 VAL 11 HG23 VAL 11 -7.862 4.142 10.321 96 H GLN 12 H GLN 12 -8.044 -0.378 10.321 97 HA GLN 12 HA GLN 12 -6.739 -2.107 12.339 98 HB2 GLN 12 HB3 GLN 12 -9.081 -3.293 11.083 99 HB3 GLN 12 HB2 GLN 12 -8.822 -2.863 12.769 100 HG2 GLN 12 HG3 GLN 12 -9.207 -0.419 11.634 101 HG3 GLN 12 HG2 GLN 12 -10.264 -1.442 10.660 102 HE21 GLN 12 HE21 GLN 12 -12.018 -0.252 11.577 103 HE22 GLN 12 HE22 GLN 12 -12.611 -0.654 13.148 104 H LYS 13 H LYS 13 -7.822 -2.163 9.162 105 HA LYS 13 HA LYS 13 -7.302 -4.063 7.673 106 HB2 LYS 13 HB3 LYS 13 -6.899 -1.381 7.426 107 HB3 LYS 13 HB2 LYS 13 -5.404 -2.104 6.859 108 HG2 LYS 13 HG3 LYS 13 -8.071 -2.093 5.649 109 HG3 LYS 13 HG2 LYS 13 -6.479 -2.195 4.896 110 HD2 LYS 13 HD3 LYS 13 -6.378 -4.531 5.772 111 HD3 LYS 13 HD2 LYS 13 -8.091 -4.360 6.154 112 HE2 LYS 13 HE3 LYS 13 -6.830 -4.908 3.632 113 HE3 LYS 13 HE2 LYS 13 -8.538 -4.954 4.059 114 HZ1 LYS 13 HZ1 LYS 13 -8.717 -2.618 3.610 115 HZ2 LYS 13 HZ2 LYS 13 -8.032 -3.375 2.263 116 HZ3 LYS 13 HZ3 LYS 13 -7.056 -2.490 3.321 117 H CYS 14 H CYS 14 -4.598 -2.470 9.130 118 HA CYS 14 HA CYS 14 -2.873 -4.451 9.528 119 HB2 CYS 14 HB3 CYS 14 -1.515 -4.869 7.639 120 HB3 CYS 14 HB2 CYS 14 -3.187 -5.533 7.485 121 H ALA 15 H ALA 15 -3.441 -1.455 9.715 122 HA ALA 15 HA ALA 15 -1.326 -0.125 8.531 123 HB1 ALA 15 HB1 ALA 15 -2.556 0.718 11.142 124 HB2 ALA 15 HB2 ALA 15 -3.389 0.870 9.595 125 HB3 ALA 15 HB3 ALA 15 -1.880 1.741 9.874 126 H GLN 16 H GLN 16 -1.414 -1.923 11.521 127 HA GLN 16 HA GLN 16 0.760 -0.920 12.830 128 HB2 GLN 16 HB3 GLN 16 0.466 -3.858 12.877 129 HB3 GLN 16 HB2 GLN 16 0.541 -2.710 14.208 130 HG2 GLN 16 HG3 GLN 16 -1.766 -2.053 13.550 131 HG3 GLN 16 HG2 GLN 16 -1.773 -3.510 12.555 132 HE21 GLN 16 HE21 GLN 16 -0.650 -2.707 15.808 133 HE22 GLN 16 HE22 GLN 16 -1.411 -4.014 16.607 134 H CYS 17 H CYS 17 0.537 -3.152 10.127 135 HA CYS 17 HA CYS 17 3.333 -3.807 10.129 136 HB2 CYS 17 HB3 CYS 17 1.484 -4.152 7.781 137 HB3 CYS 17 HB2 CYS 17 2.879 -5.127 8.232 138 H HIS 18 H HIS 18 1.403 -1.252 8.903 139 HA HIS 18 HA HIS 18 3.608 -0.359 7.172 140 HB2 HIS 18 HB3 HIS 18 0.705 0.483 7.089 141 HB3 HIS 18 HB2 HIS 18 1.965 0.985 5.966 142 HD1 HIS 18 HD1 HIS 18 1.676 -0.188 3.819 143 HD2 HIS 18 HD2 HIS 18 0.737 -2.633 7.043 144 HE1 HIS 18 HE1 HIS 18 1.066 -2.413 2.820 145 H THR 19 H THR 19 3.119 -0.029 10.154 146 HA THR 19 HA THR 19 3.296 1.569 11.764 147 HB THR 19 HB THR 19 4.748 3.065 9.575 148 HG1 THR 19 HG1 THR 19 6.572 1.984 10.333 149 HG21 THR 19 HG21 THR 19 5.186 3.178 12.513 150 HG22 THR 19 HG22 THR 19 4.265 4.376 11.603 151 HG23 THR 19 HG23 THR 19 5.978 4.134 11.261 152 H VAL 20 H VAL 20 2.653 3.706 12.445 153 HA VAL 20 HA VAL 20 0.338 4.559 11.113 154 HB VAL 20 HB VAL 20 1.361 5.906 13.552 155 HG11 VAL 20 HG11 VAL 20 -0.686 6.548 12.232 156 HG12 VAL 20 HG12 VAL 20 -0.726 6.496 13.994 157 HG13 VAL 20 HG13 VAL 20 -1.397 5.162 13.057 158 HG21 VAL 20 HG21 VAL 20 0.453 4.196 14.967 159 HG22 VAL 20 HG22 VAL 20 1.555 3.473 13.906 160 HG23 VAL 20 HG23 VAL 20 -0.066 3.284 13.549 161 H GLU 21 H GLU 21 1.334 7.202 12.448 162 HA GLU 21 HA GLU 21 1.597 8.648 10.068 163 HB2 GLU 21 HB3 GLU 21 1.926 10.257 12.456 164 HB3 GLU 21 HB2 GLU 21 0.805 10.435 11.159 165 HG2 GLU 21 HG3 GLU 21 -0.640 8.775 12.225 166 HG3 GLU 21 HG2 GLU 21 0.531 8.602 13.532 167 H LYS 22 H LYS 22 3.342 9.792 9.493 168 HA LYS 22 HA LYS 22 5.796 8.647 10.012 169 HB2 LYS 22 HB3 LYS 22 5.101 10.296 8.168 170 HB3 LYS 22 HB2 LYS 22 5.529 11.559 9.309 171 HG2 LYS 22 HG3 LYS 22 7.334 9.459 8.139 172 HG3 LYS 22 HG2 LYS 22 7.397 11.204 7.883 173 HD2 LYS 22 HD3 LYS 22 7.922 9.753 10.476 174 HD3 LYS 22 HD2 LYS 22 9.130 10.520 9.441 175 HE2 LYS 22 HE3 LYS 22 8.198 12.691 9.867 176 HE3 LYS 22 HE2 LYS 22 6.839 11.985 10.741 177 HZ1 LYS 22 HZ1 LYS 22 9.336 12.752 11.746 178 HZ2 LYS 22 HZ2 LYS 22 9.204 11.074 11.923 179 HZ3 LYS 22 HZ3 LYS 22 8.027 12.088 12.588 180 H GLY 23 H GLY 23 7.034 8.605 11.739 181 HA2 GLY 23 HA3 GLY 23 8.193 10.462 13.210 182 HA3 GLY 23 HA2 GLY 23 6.574 10.534 13.897 183 H GLY 24 H GLY 24 6.109 7.662 13.532 184 HA2 GLY 24 HA3 GLY 24 7.298 6.784 16.005 185 HA3 GLY 24 HA2 GLY 24 6.187 5.869 14.996 186 H LYS 25 H LYS 25 7.116 3.984 14.531 187 HA LYS 25 HA LYS 25 9.968 3.977 13.794 188 HB2 LYS 25 HB3 LYS 25 8.804 1.355 14.270 189 HB3 LYS 25 HB2 LYS 25 10.237 2.121 14.994 190 HG2 LYS 25 HG3 LYS 25 9.111 2.847 16.805 191 HG3 LYS 25 HG2 LYS 25 7.605 3.049 15.927 192 HD2 LYS 25 HD3 LYS 25 8.829 0.435 16.823 193 HD3 LYS 25 HD2 LYS 25 7.402 1.236 17.529 194 HE2 LYS 25 HE3 LYS 25 6.071 0.255 16.048 195 HE3 LYS 25 HE2 LYS 25 6.992 0.962 14.720 196 HZ1 LYS 25 HZ1 LYS 25 7.030 -1.724 15.748 197 HZ2 LYS 25 HZ2 LYS 25 8.575 -1.072 15.530 198 HZ3 LYS 25 HZ3 LYS 25 7.497 -1.141 14.231 199 H HIS 26 H HIS 26 10.687 2.579 12.123 200 HA HIS 26 HA HIS 26 9.085 2.838 9.824 201 HB2 HIS 26 HB3 HIS 26 10.985 0.740 9.435 202 HB3 HIS 26 HB2 HIS 26 11.034 2.393 8.829 203 HD1 HIS 26 HD1 HIS 26 11.771 0.726 12.182 204 HD2 HIS 26 HD2 HIS 26 13.298 3.614 9.614 205 HE1 HIS 26 HE1 HIS 26 13.875 1.556 13.281 206 HE2 HIS 26 HE2 HIS 26 14.730 3.369 11.755 207 H LYS 27 H LYS 27 7.755 1.409 8.648 208 HA LYS 27 HA LYS 27 6.690 -0.816 10.190 209 HB2 LYS 27 HB3 LYS 27 4.831 -0.697 8.829 210 HB3 LYS 27 HB2 LYS 27 5.397 0.965 8.742 211 HG2 LYS 27 HG3 LYS 27 6.735 -0.312 6.680 212 HG3 LYS 27 HG2 LYS 27 5.112 -1.007 6.649 213 HD2 LYS 27 HD3 LYS 27 5.558 1.133 5.285 214 HD3 LYS 27 HD2 LYS 27 4.102 1.059 6.281 215 HE2 LYS 27 HE3 LYS 27 4.769 2.781 7.530 216 HE3 LYS 27 HE2 LYS 27 6.366 2.073 7.771 217 HZ1 LYS 27 HZ1 LYS 27 7.146 3.044 5.782 218 HZ2 LYS 27 HZ2 LYS 27 6.316 4.270 6.600 219 HZ3 LYS 27 HZ3 LYS 27 5.590 3.490 5.286 220 H THR 28 H THR 28 6.076 -2.816 8.806 221 HA THR 28 HA THR 28 8.496 -4.046 7.984 222 HB THR 28 HB THR 28 5.873 -5.242 7.233 223 HG1 THR 28 HG1 THR 28 6.703 -5.268 9.922 224 HG21 THR 28 HG21 THR 28 6.832 -7.175 7.859 225 HG22 THR 28 HG22 THR 28 8.007 -6.519 8.883 226 HG23 THR 28 HG23 THR 28 8.198 -6.292 7.176 227 H GLY 29 H GLY 29 5.727 -2.711 6.250 228 HA2 GLY 29 HA3 GLY 29 7.327 -2.849 3.779 229 HA3 GLY 29 HA2 GLY 29 5.658 -3.402 3.774 230 HA PRO 30 HA PRO 30 6.524 1.403 3.008 231 HB2 PRO 30 HB3 PRO 30 5.434 0.365 0.488 232 HB3 PRO 30 HB2 PRO 30 6.556 1.695 0.804 233 HG2 PRO 30 HG3 PRO 30 7.447 -0.660 -0.073 234 HG3 PRO 30 HG2 PRO 30 8.358 0.275 1.126 235 HD2 PRO 30 HD3 PRO 30 6.776 -2.163 1.382 236 HD3 PRO 30 HD2 PRO 30 8.175 -1.578 2.305 237 H ASN 31 H ASN 31 4.881 2.444 3.924 238 HA ASN 31 HA ASN 31 2.325 1.460 4.328 239 HB2 ASN 31 HB3 ASN 31 3.626 3.572 5.292 240 HB3 ASN 31 HB2 ASN 31 2.666 4.411 4.078 241 HD21 ASN 31 HD21 ASN 31 2.001 5.339 6.289 242 HD22 ASN 31 HD22 ASN 31 0.696 4.605 7.000 243 H LEU 32 H LEU 32 3.196 3.997 2.117 244 HA LEU 32 HA LEU 32 1.719 2.949 0.081 245 HB2 LEU 32 HB3 LEU 32 -0.178 4.458 -0.182 246 HB3 LEU 32 HB2 LEU 32 -0.214 3.498 1.287 247 HG LEU 32 HG LEU 32 -1.264 5.627 1.850 248 HD11 LEU 32 HD11 LEU 32 1.400 5.255 2.791 249 HD12 LEU 32 HD12 LEU 32 -0.027 4.574 3.570 250 HD13 LEU 32 HD13 LEU 32 0.240 6.316 3.591 251 HD21 LEU 32 HD21 LEU 32 -0.491 7.589 1.088 252 HD22 LEU 32 HD22 LEU 32 0.179 6.513 -0.138 253 HD23 LEU 32 HD23 LEU 32 1.170 7.031 1.232 254 H HIS 33 H HIS 33 3.209 5.656 1.576 255 HA HIS 33 HA HIS 33 3.282 7.588 -0.372 256 HB2 HIS 33 HB3 HIS 33 4.605 7.122 2.044 257 HB3 HIS 33 HB2 HIS 33 5.894 7.301 0.860 258 HD1 HIS 33 HD1 HIS 33 6.544 9.565 2.004 259 HD2 HIS 33 HD2 HIS 33 2.753 9.493 0.303 260 HE1 HIS 33 HE1 HIS 33 5.814 11.969 1.886 261 HE2 HIS 33 HE2 HIS 33 3.484 11.893 0.933 262 H GLY 34 H GLY 34 4.016 7.673 -2.387 263 HA2 GLY 34 HA3 GLY 34 5.315 7.279 -4.248 264 HA3 GLY 34 HA2 GLY 34 6.485 6.493 -3.197 265 H LEU 35 H LEU 35 3.297 5.290 -2.977 266 HA LEU 35 HA LEU 35 4.012 2.693 -3.747 267 HB2 LEU 35 HB3 LEU 35 2.091 3.292 -2.286 268 HB3 LEU 35 HB2 LEU 35 1.245 3.900 -3.706 269 HG LEU 35 HG LEU 35 1.170 1.670 -4.661 270 HD11 LEU 35 HD11 LEU 35 2.349 -0.033 -3.886 271 HD12 LEU 35 HD12 LEU 35 2.211 0.353 -2.235 272 HD13 LEU 35 HD13 LEU 35 3.402 1.122 -3.282 273 HD21 LEU 35 HD21 LEU 35 0.292 2.007 -1.853 274 HD22 LEU 35 HD22 LEU 35 -0.000 0.501 -2.720 275 HD23 LEU 35 HD23 LEU 35 -0.618 2.021 -3.363 276 H PHE 36 H PHE 36 2.203 5.197 -5.502 277 HA PHE 36 HA PHE 36 2.553 3.626 -7.964 278 HB2 PHE 36 HB3 PHE 36 0.779 5.925 -7.882 279 HB3 PHE 36 HB2 PHE 36 0.641 4.387 -8.747 280 HD1 PHE 36 HD1 PHE 36 -0.382 2.584 -7.693 281 HD2 PHE 36 HD2 PHE 36 0.153 6.077 -5.526 282 HE1 PHE 36 HE1 PHE 36 -1.916 1.738 -5.966 283 HE2 PHE 36 HE2 PHE 36 -1.380 5.246 -3.790 284 HZ PHE 36 HZ PHE 36 -2.423 3.028 -4.029 285 H GLY 37 H GLY 37 4.296 5.722 -6.482 286 HA2 GLY 37 HA3 GLY 37 4.812 7.370 -8.880 287 HA3 GLY 37 HA2 GLY 37 4.942 8.013 -7.242 288 H ARG 38 H ARG 38 6.218 5.776 -6.059 289 HA ARG 38 HA ARG 38 8.913 6.218 -7.058 290 HB2 ARG 38 HB3 ARG 38 7.857 4.850 -4.582 291 HB3 ARG 38 HB2 ARG 38 9.565 4.948 -4.987 292 HG2 ARG 38 HG3 ARG 38 9.239 7.472 -5.052 293 HG3 ARG 38 HG2 ARG 38 7.691 7.171 -4.260 294 HD2 ARG 38 HD3 ARG 38 8.686 6.927 -2.289 295 HD3 ARG 38 HD2 ARG 38 9.771 5.700 -2.940 296 HE ARG 38 HE ARG 38 11.381 7.288 -2.692 297 HH11 ARG 38 HH11 ARG 38 8.448 8.855 -3.725 298 HH12 ARG 38 HH12 ARG 38 9.176 10.422 -3.850 299 HH21 ARG 38 HH21 ARG 38 12.350 9.347 -2.851 300 HH22 ARG 38 HH22 ARG 38 11.394 10.702 -3.353 301 H LYS 39 H LYS 39 10.423 4.268 -7.040 302 HA LYS 39 HA LYS 39 9.656 2.482 -9.008 303 HB2 LYS 39 HB3 LYS 39 12.004 2.944 -8.422 304 HB3 LYS 39 HB2 LYS 39 11.797 2.058 -6.918 305 HG2 LYS 39 HG3 LYS 39 12.757 1.008 -9.239 306 HG3 LYS 39 HG2 LYS 39 12.078 0.160 -7.873 307 HD2 LYS 39 HD3 LYS 39 11.096 -0.481 -10.013 308 HD3 LYS 39 HD2 LYS 39 9.885 0.248 -8.965 309 HE2 LYS 39 HE3 LYS 39 10.447 2.350 -10.216 310 HE3 LYS 39 HE2 LYS 39 11.234 1.410 -11.377 311 HZ1 LYS 39 HZ1 LYS 39 9.256 0.617 -12.100 312 HZ2 LYS 39 HZ2 LYS 39 8.704 2.113 -11.533 313 HZ3 LYS 39 HZ3 LYS 39 8.510 0.726 -10.584 314 H THR 40 H THR 40 10.779 0.870 -6.144 315 HA THR 40 HA THR 40 8.203 -0.064 -5.273 316 HB THR 40 HB THR 40 8.702 -2.332 -5.046 317 HG1 THR 40 HG1 THR 40 10.182 -3.527 -5.950 318 HG21 THR 40 HG21 THR 40 8.380 -2.090 -7.797 319 HG22 THR 40 HG22 THR 40 8.666 -2.927 -6.586 320 HG23 THR 40 HG23 THR 40 7.275 -2.945 -6.283 321 H GLY 41 H GLY 41 8.149 0.387 -3.538 322 HA2 GLY 41 HA3 GLY 41 8.657 0.433 -1.300 323 HA3 GLY 41 HA2 GLY 41 9.315 -1.173 -1.566 324 H GLN 42 H GLN 42 10.523 1.837 -2.967 325 HA GLN 42 HA GLN 42 13.091 1.323 -1.642 326 HB2 GLN 42 HB3 GLN 42 13.572 3.344 -3.426 327 HB3 GLN 42 HB2 GLN 42 13.818 1.633 -3.745 328 HG2 GLN 42 HG3 GLN 42 12.570 2.796 -5.523 329 HG3 GLN 42 HG2 GLN 42 11.675 1.460 -4.802 330 HE21 GLN 42 HE21 GLN 42 9.611 1.968 -4.802 331 HE22 GLN 42 HE22 GLN 42 8.932 3.476 -4.304 332 H ALA 43 H ALA 43 11.171 2.372 0.014 333 HA ALA 43 HA ALA 43 10.970 5.129 0.204 334 HB1 ALA 43 HB1 ALA 43 11.096 4.303 2.835 335 HB2 ALA 43 HB2 ALA 43 10.559 2.862 1.970 336 HB3 ALA 43 HB3 ALA 43 9.649 4.367 1.829 337 HA PRO 44 HA PRO 44 14.827 6.625 1.738 338 HB2 PRO 44 HB3 PRO 44 14.214 8.306 3.732 339 HB3 PRO 44 HB2 PRO 44 13.700 8.623 2.062 340 HG2 PRO 44 HG3 PRO 44 12.135 7.481 4.356 341 HG3 PRO 44 HG2 PRO 44 11.640 8.681 3.149 342 HD2 PRO 44 HD3 PRO 44 10.995 6.015 3.020 343 HD3 PRO 44 HD2 PRO 44 11.100 7.081 1.605 344 H GLY 45 H GLY 45 14.008 7.256 4.935 345 HA2 GLY 45 HA3 GLY 45 16.041 5.536 5.946 346 HA3 GLY 45 HA2 GLY 45 14.912 6.479 6.905 347 H PHE 46 H PHE 46 13.153 4.616 4.666 348 HA PHE 46 HA PHE 46 12.251 2.837 6.751 349 HB2 PHE 46 HB3 PHE 46 10.630 3.841 5.213 350 HB3 PHE 46 HB2 PHE 46 11.419 3.054 3.851 351 HD1 PHE 46 HD1 PHE 46 9.637 2.363 7.030 352 HD2 PHE 46 HD2 PHE 46 10.780 0.920 3.189 353 HE1 PHE 46 HE1 PHE 46 8.189 0.388 7.335 354 HE2 PHE 46 HE2 PHE 46 9.336 -1.050 3.490 355 HZ PHE 46 HZ PHE 46 8.039 -1.319 5.564 356 H THR 47 H THR 47 12.689 0.709 6.973 357 HA THR 47 HA THR 47 14.847 -0.376 5.434 358 HB THR 47 HB THR 47 13.945 -0.742 8.016 359 HG1 THR 47 HG1 THR 47 15.643 -2.260 8.113 360 HG21 THR 47 HG21 THR 47 13.616 -3.213 8.156 361 HG22 THR 47 HG22 THR 47 13.329 -3.208 6.416 362 HG23 THR 47 HG23 THR 47 12.253 -2.313 7.491 363 H TYR 48 H TYR 48 14.323 -0.924 3.411 364 HA TYR 48 HA TYR 48 11.813 -2.075 2.698 365 HB2 TYR 48 HB3 TYR 48 13.723 -2.620 0.756 366 HB3 TYR 48 HB2 TYR 48 12.453 -1.404 0.773 367 HD1 TYR 48 HD1 TYR 48 15.908 -1.933 2.012 368 HD2 TYR 48 HD2 TYR 48 13.064 0.829 0.604 369 HE1 TYR 48 HE1 TYR 48 17.610 -0.213 2.176 370 HE2 TYR 48 HE2 TYR 48 14.767 2.596 0.681 371 HH TYR 48 HH TYR 48 17.882 2.092 2.167 372 H THR 49 H THR 49 11.587 -4.120 1.712 373 HA THR 49 HA THR 49 12.867 -6.257 3.167 374 HB THR 49 HB THR 49 11.260 -7.704 2.105 375 HG1 THR 49 HG1 THR 49 9.811 -6.659 0.510 376 HG21 THR 49 HG21 THR 49 9.354 -5.543 2.255 377 HG22 THR 49 HG22 THR 49 10.466 -5.538 3.624 378 HG23 THR 49 HG23 THR 49 9.520 -6.981 3.262 379 H ASP 50 H ASP 50 13.530 -8.260 1.794 380 HA ASP 50 HA ASP 50 15.790 -7.611 0.330 381 HB2 ASP 50 HB3 ASP 50 15.831 -9.811 1.021 382 HB3 ASP 50 HB2 ASP 50 14.137 -10.077 0.622 383 H ALA 51 H ALA 51 12.455 -8.060 -0.742 384 HA ALA 51 HA ALA 51 13.005 -8.061 -3.481 385 HB1 ALA 51 HB1 ALA 51 10.882 -8.698 -3.578 386 HB2 ALA 51 HB2 ALA 51 10.358 -7.136 -2.949 387 HB3 ALA 51 HB3 ALA 51 10.743 -8.451 -1.838 388 H ASN 52 H ASN 52 11.916 -5.578 -1.180 389 HA ASN 52 HA ASN 52 11.591 -3.495 -3.030 390 HB2 ASN 52 HB3 ASN 52 12.328 -3.381 -0.099 391 HB3 ASN 52 HB2 ASN 52 11.823 -2.042 -1.085 392 HD21 ASN 52 HD21 ASN 52 10.038 -4.089 -2.487 393 HD22 ASN 52 HD22 ASN 52 8.640 -4.137 -1.473 394 H LYS 53 H LYS 53 14.399 -4.472 -1.103 395 HA LYS 53 HA LYS 53 16.115 -2.457 -1.884 396 HB2 LYS 53 HB3 LYS 53 17.949 -4.089 -1.327 397 HB3 LYS 53 HB2 LYS 53 16.781 -3.826 -0.067 398 HG2 LYS 53 HG3 LYS 53 15.659 -5.829 -0.452 399 HG3 LYS 53 HG2 LYS 53 16.596 -6.112 -1.921 400 HD2 LYS 53 HD3 LYS 53 17.753 -7.433 -0.480 401 HD3 LYS 53 HD2 LYS 53 18.627 -5.926 -0.241 402 HE2 LYS 53 HE3 LYS 53 18.134 -5.943 1.865 403 HE3 LYS 53 HE2 LYS 53 16.421 -5.853 1.461 404 HZ1 LYS 53 HZ1 LYS 53 17.940 -8.067 2.436 405 HZ2 LYS 53 HZ2 LYS 53 17.084 -8.467 1.033 406 HZ3 LYS 53 HZ3 LYS 53 16.262 -7.854 2.380 407 H ASN 54 H ASN 54 15.146 -5.332 -3.471 408 HA ASN 54 HA ASN 54 17.173 -5.230 -5.499 409 HB2 ASN 54 HB3 ASN 54 14.543 -6.729 -5.445 410 HB3 ASN 54 HB2 ASN 54 15.848 -6.993 -6.597 411 HD21 ASN 54 HD21 ASN 54 17.219 -6.211 -3.714 412 HD22 ASN 54 HD22 ASN 54 17.501 -7.798 -3.089 413 H LYS 55 H LYS 55 14.246 -3.615 -4.913 414 HA LYS 55 HA LYS 55 13.204 -1.936 -6.052 415 HB2 LYS 55 HB3 LYS 55 15.489 -2.411 -7.954 416 HB3 LYS 55 HB2 LYS 55 14.214 -1.253 -8.308 417 HG2 LYS 55 HG3 LYS 55 15.024 0.210 -6.916 418 HG3 LYS 55 HG2 LYS 55 15.370 -0.995 -5.674 419 HD2 LYS 55 HD3 LYS 55 17.057 -0.199 -8.032 420 HD3 LYS 55 HD2 LYS 55 17.468 -0.132 -6.316 421 HE2 LYS 55 HE3 LYS 55 17.093 -2.663 -6.408 422 HE3 LYS 55 HE2 LYS 55 17.377 -2.426 -8.132 423 HZ1 LYS 55 HZ1 LYS 55 19.464 -2.893 -7.248 424 HZ2 LYS 55 HZ2 LYS 55 19.224 -1.926 -5.881 425 HZ3 LYS 55 HZ3 LYS 55 19.467 -1.207 -7.393 426 H GLY 56 H GLY 56 11.778 -4.011 -6.110 427 HA2 GLY 56 HA3 GLY 56 11.342 -5.524 -8.390 428 HA3 GLY 56 HA2 GLY 56 10.097 -5.102 -7.226 429 H ILE 57 H ILE 57 8.483 -3.719 -7.797 430 HA ILE 57 HA ILE 57 8.950 -1.919 -10.017 431 HB ILE 57 HB ILE 57 7.808 -4.338 -10.587 432 HG12 ILE 57 HG13 ILE 57 8.667 -3.221 -12.364 433 HG13 ILE 57 HG12 ILE 57 6.962 -2.880 -12.642 434 HG21 ILE 57 HG21 ILE 57 5.731 -3.982 -9.565 435 HG22 ILE 57 HG22 ILE 57 5.465 -3.626 -11.271 436 HG23 ILE 57 HG23 ILE 57 5.658 -2.309 -10.116 437 HD11 ILE 57 HD11 ILE 57 7.184 -0.697 -12.119 438 HD12 ILE 57 HD12 ILE 57 8.842 -1.001 -12.641 439 HD13 ILE 57 HD13 ILE 57 8.443 -1.000 -10.921 440 H THR 58 H THR 58 6.949 -0.575 -10.472 441 HA THR 58 HA THR 58 6.091 0.538 -7.945 442 HB THR 58 HB THR 58 6.514 1.534 -10.534 443 HG1 THR 58 HG1 THR 58 6.024 3.474 -9.510 444 HG21 THR 58 HG21 THR 58 4.155 0.995 -11.049 445 HG22 THR 58 HG22 THR 58 4.517 2.720 -11.100 446 HG23 THR 58 HG23 THR 58 3.666 2.040 -9.714 447 H TRP 59 H TRP 59 4.435 -0.228 -6.904 448 HA TRP 59 HA TRP 59 2.480 -1.950 -8.005 449 HB2 TRP 59 HB3 TRP 59 1.821 -0.525 -5.498 450 HB3 TRP 59 HB2 TRP 59 1.812 -2.251 -5.852 451 HD1 TRP 59 HD1 TRP 59 4.250 0.514 -4.907 452 HE1 TRP 59 HE1 TRP 59 6.319 -0.502 -3.769 453 HE3 TRP 59 HE3 TRP 59 3.102 -4.363 -5.588 454 HZ2 TRP 59 HZ2 TRP 59 7.320 -3.089 -3.254 455 HZ3 TRP 59 HZ3 TRP 59 4.665 -6.073 -4.754 456 HH2 TRP 59 HH2 TRP 59 6.730 -5.447 -3.612 457 H LYS 60 H LYS 60 1.083 -1.312 -9.498 458 HA LYS 60 HA LYS 60 -0.144 1.340 -9.221 459 HB2 LYS 60 HB3 LYS 60 0.170 1.460 -11.430 460 HB3 LYS 60 HB2 LYS 60 0.775 -0.189 -11.460 461 HG2 LYS 60 HG3 LYS 60 -0.965 -0.526 -12.831 462 HG3 LYS 60 HG2 LYS 60 -1.878 -0.657 -11.328 463 HD2 LYS 60 HD3 LYS 60 -2.995 1.249 -11.713 464 HD3 LYS 60 HD2 LYS 60 -1.543 2.093 -12.259 465 HE2 LYS 60 HE3 LYS 60 -2.210 0.149 -14.213 466 HE3 LYS 60 HE2 LYS 60 -3.682 1.031 -13.808 467 HZ1 LYS 60 HZ1 LYS 60 -1.769 1.861 -15.539 468 HZ2 LYS 60 HZ2 LYS 60 -1.400 2.737 -14.142 469 HZ3 LYS 60 HZ3 LYS 60 -2.940 2.852 -14.827 470 H GLU 61 H GLU 61 -2.468 1.398 -10.037 471 HA GLU 61 HA GLU 61 -4.072 -0.115 -8.269 472 HB2 GLU 61 HB3 GLU 61 -4.471 2.056 -9.945 473 HB3 GLU 61 HB2 GLU 61 -5.534 0.823 -10.611 474 HG2 GLU 61 HG3 GLU 61 -5.806 0.842 -7.775 475 HG3 GLU 61 HG2 GLU 61 -5.964 2.490 -8.381 476 H GLU 62 H GLU 62 -3.878 -0.384 -11.825 477 HA GLU 62 HA GLU 62 -5.464 -2.697 -12.018 478 HB2 GLU 62 HB3 GLU 62 -4.990 -2.664 -14.268 479 HB3 GLU 62 HB2 GLU 62 -4.626 -1.000 -13.837 480 HG2 GLU 62 HG3 GLU 62 -2.239 -1.620 -13.641 481 HG3 GLU 62 HG2 GLU 62 -2.650 -3.238 -14.206 482 H THR 63 H THR 63 -1.917 -2.282 -11.774 483 HA THR 63 HA THR 63 -1.246 -4.995 -12.120 484 HB THR 63 HB THR 63 0.071 -2.565 -11.663 485 HG1 THR 63 HG1 THR 63 1.384 -3.627 -12.885 486 HG21 THR 63 HG21 THR 63 1.582 -2.880 -9.966 487 HG22 THR 63 HG22 THR 63 1.288 -4.618 -9.880 488 HG23 THR 63 HG23 THR 63 0.096 -3.489 -9.239 489 H LEU 64 H LEU 64 -2.345 -3.171 -9.383 490 HA LEU 64 HA LEU 64 -1.578 -5.044 -7.378 491 HB2 LEU 64 HB3 LEU 64 -3.047 -2.529 -7.532 492 HB3 LEU 64 HB2 LEU 64 -3.737 -3.641 -6.363 493 HG LEU 64 HG LEU 64 -0.893 -2.631 -6.397 494 HD11 LEU 64 HD11 LEU 64 -1.975 -0.870 -5.473 495 HD12 LEU 64 HD12 LEU 64 -1.875 -1.882 -4.032 496 HD13 LEU 64 HD13 LEU 64 -3.362 -1.840 -4.977 497 HD21 LEU 64 HD21 LEU 64 -0.578 -3.858 -4.348 498 HD22 LEU 64 HD22 LEU 64 -1.091 -4.971 -5.615 499 HD23 LEU 64 HD23 LEU 64 -2.244 -4.436 -4.395 500 H MET 65 H MET 65 -4.410 -4.558 -9.389 501 HA MET 65 HA MET 65 -6.202 -6.244 -8.046 502 HB2 MET 65 HB3 MET 65 -5.960 -5.466 -10.950 503 HB3 MET 65 HB2 MET 65 -7.265 -6.481 -10.354 504 HG2 MET 65 HG3 MET 65 -6.670 -3.637 -9.609 505 HG3 MET 65 HG2 MET 65 -8.085 -4.263 -10.467 506 HE1 MET 65 HE1 MET 65 -6.569 -3.132 -7.286 507 HE2 MET 65 HE2 MET 65 -6.113 -4.811 -6.992 508 HE3 MET 65 HE3 MET 65 -7.341 -4.039 -5.986 509 H GLU 66 H GLU 66 -3.795 -6.918 -10.568 510 HA GLU 66 HA GLU 66 -4.462 -9.715 -10.688 511 HB2 GLU 66 HB3 GLU 66 -2.242 -9.760 -12.013 512 HB3 GLU 66 HB2 GLU 66 -3.611 -8.900 -12.706 513 HG2 GLU 66 HG3 GLU 66 -2.699 -6.786 -11.989 514 HG3 GLU 66 HG2 GLU 66 -1.369 -7.607 -11.168 515 H TYR 67 H TYR 67 -2.047 -7.699 -9.130 516 HA TYR 67 HA TYR 67 -0.388 -9.711 -8.216 517 HB2 TYR 67 HB3 TYR 67 0.605 -7.675 -7.930 518 HB3 TYR 67 HB2 TYR 67 -0.911 -6.889 -7.570 519 HD1 TYR 67 HD1 TYR 67 2.010 -8.597 -6.221 520 HD2 TYR 67 HD2 TYR 67 -1.733 -6.977 -5.226 521 HE1 TYR 67 HE1 TYR 67 2.620 -8.642 -3.839 522 HE2 TYR 67 HE2 TYR 67 -1.133 -7.015 -2.841 523 HH TYR 67 HH TYR 67 0.653 -7.104 -1.462 524 H LEU 68 H LEU 68 -3.452 -8.711 -7.169 525 HA LEU 68 HA LEU 68 -3.392 -9.550 -4.491 526 HB2 LEU 68 HB3 LEU 68 -5.587 -9.222 -6.509 527 HB3 LEU 68 HB2 LEU 68 -5.929 -9.878 -4.919 528 HG LEU 68 HG LEU 68 -4.651 -7.185 -5.390 529 HD11 LEU 68 HD11 LEU 68 -6.772 -6.189 -4.981 530 HD12 LEU 68 HD12 LEU 68 -7.505 -7.752 -4.615 531 HD13 LEU 68 HD13 LEU 68 -6.990 -7.382 -6.261 532 HD21 LEU 68 HD21 LEU 68 -4.106 -8.126 -3.259 533 HD22 LEU 68 HD22 LEU 68 -5.448 -7.213 -2.644 534 HD23 LEU 68 HD23 LEU 68 -5.255 -6.815 -3.030 535 H GLU 69 H GLU 69 -3.289 -11.336 -7.378 536 HA GLU 69 HA GLU 69 -4.616 -13.696 -6.650 537 HB2 GLU 69 HB3 GLU 69 -3.259 -12.810 -8.871 538 HB3 GLU 69 HB2 GLU 69 -2.268 -14.079 -8.277 539 HG2 GLU 69 HG3 GLU 69 -4.064 -15.660 -8.337 540 HG3 GLU 69 HG2 GLU 69 -5.142 -14.379 -8.889 541 H ASN 70 H ASN 70 -1.133 -13.590 -7.001 542 HA ASN 70 HA ASN 70 -0.938 -15.084 -4.541 543 HB2 ASN 70 HB3 ASN 70 0.438 -15.436 -7.123 544 HB3 ASN 70 HB2 ASN 70 1.282 -15.886 -5.702 545 HD21 ASN 70 HD21 ASN 70 -1.085 -16.734 -7.952 546 HD22 ASN 70 HD22 ASN 70 -1.601 -18.192 -7.289 547 HA PRO 71 HA PRO 71 1.105 -11.091 -3.567 548 HB2 PRO 71 HB3 PRO 71 1.110 -12.545 -0.962 549 HB3 PRO 71 HB2 PRO 71 0.682 -10.866 -1.313 550 HG2 PRO 71 HG3 PRO 71 -1.210 -12.675 -0.840 551 HG3 PRO 71 HG2 PRO 71 -1.434 -11.424 -2.077 552 HD2 PRO 71 HD3 PRO 71 -0.810 -14.323 -2.400 553 HD3 PRO 71 HD2 PRO 71 -1.797 -13.258 -3.423 554 H LYS 72 H LYS 72 2.044 -14.391 -2.790 555 HA LYS 72 HA LYS 72 4.767 -13.688 -2.176 556 HB2 LYS 72 HB3 LYS 72 4.766 -15.700 -1.213 557 HB3 LYS 72 HB2 LYS 72 3.112 -15.930 -1.761 558 HG2 LYS 72 HG3 LYS 72 4.101 -17.779 -2.653 559 HG3 LYS 72 HG2 LYS 72 4.291 -16.649 -3.994 560 HD2 LYS 72 HD3 LYS 72 6.498 -16.357 -2.203 561 HD3 LYS 72 HD2 LYS 72 6.302 -18.065 -2.605 562 HE2 LYS 72 HE3 LYS 72 5.953 -16.633 -5.001 563 HE3 LYS 72 HE2 LYS 72 7.360 -15.931 -4.203 564 HZ1 LYS 72 HZ1 LYS 72 8.336 -18.124 -4.042 565 HZ2 LYS 72 HZ2 LYS 72 7.958 -17.780 -5.655 566 HZ3 LYS 72 HZ3 LYS 72 6.973 -18.823 -4.761 567 H LYS 73 H LYS 73 2.954 -14.530 -4.984 568 HA LYS 73 HA LYS 73 5.096 -15.510 -6.520 569 HB2 LYS 73 HB3 LYS 73 3.574 -15.613 -8.263 570 HB3 LYS 73 HB2 LYS 73 2.509 -15.705 -6.867 571 HG2 LYS 73 HG3 LYS 73 1.379 -14.114 -7.983 572 HG3 LYS 73 HG2 LYS 73 2.559 -13.045 -7.220 573 HD2 LYS 73 HD3 LYS 73 2.168 -12.791 -9.742 574 HD3 LYS 73 HD2 LYS 73 3.837 -12.875 -9.173 575 HE2 LYS 73 HE3 LYS 73 3.295 -14.266 -11.207 576 HE3 LYS 73 HE2 LYS 73 4.062 -15.123 -9.870 577 HZ1 LYS 73 HZ1 LYS 73 1.728 -15.752 -9.185 578 HZ2 LYS 73 HZ2 LYS 73 2.319 -16.491 -10.589 579 HZ3 LYS 73 HZ3 LYS 73 1.223 -15.206 -10.705 580 H TYR 74 H TYR 74 3.840 -12.342 -5.768 581 HA TYR 74 HA TYR 74 5.327 -11.017 -7.856 582 HB2 TYR 74 HB3 TYR 74 3.403 -10.220 -5.755 583 HB3 TYR 74 HB2 TYR 74 4.591 -9.001 -6.206 584 HD1 TYR 74 HD1 TYR 74 2.076 -11.317 -7.689 585 HD2 TYR 74 HD2 TYR 74 4.225 -7.667 -8.078 586 HE1 TYR 74 HE1 TYR 74 0.724 -10.738 -9.660 587 HE2 TYR 74 HE2 TYR 74 2.877 -7.076 -10.049 588 HH TYR 74 HH TYR 74 0.625 -9.345 -11.481 589 H ILE 75 H ILE 75 5.573 -11.360 -4.331 590 HA ILE 75 HA ILE 75 8.398 -10.587 -4.541 591 HB ILE 75 HB ILE 75 6.404 -9.576 -2.572 592 HG12 ILE 75 HG13 ILE 75 6.454 -8.090 -4.294 593 HG13 ILE 75 HG12 ILE 75 7.638 -7.412 -3.181 594 HG21 ILE 75 HG21 ILE 75 8.428 -8.511 -1.476 595 HG22 ILE 75 HG22 ILE 75 9.403 -9.654 -2.399 596 HG23 ILE 75 HG23 ILE 75 8.221 -10.244 -1.231 597 HD11 ILE 75 HD11 ILE 75 8.941 -7.317 -4.990 598 HD12 ILE 75 HD12 ILE 75 7.986 -8.516 -5.865 599 HD13 ILE 75 HD13 ILE 75 9.197 -9.036 -4.692 600 HA PRO 76 HA PRO 76 7.918 -14.743 -2.610 601 HB2 PRO 76 HB3 PRO 76 10.611 -14.974 -3.800 602 HB3 PRO 76 HB2 PRO 76 9.262 -16.098 -3.877 603 HG2 PRO 76 HG3 PRO 76 9.907 -14.671 -5.966 604 HG3 PRO 76 HG2 PRO 76 8.213 -15.008 -5.566 605 HD2 PRO 76 HD3 PRO 76 9.796 -12.505 -5.159 606 HD3 PRO 76 HD2 PRO 76 8.103 -12.700 -5.659 607 H GLY 77 H GLY 77 8.575 -15.154 -0.587 608 HA2 GLY 77 HA3 GLY 77 10.333 -15.361 1.050 609 HA3 GLY 77 HA2 GLY 77 11.098 -13.949 0.340 610 H THR 78 H THR 78 8.229 -12.782 0.229 611 HA THR 78 HA THR 78 8.340 -11.698 2.951 612 HB THR 78 HB THR 78 8.143 -10.430 0.518 613 HG1 THR 78 HG1 THR 78 7.180 -9.406 2.977 614 HG21 THR 78 HG21 THR 78 5.705 -11.221 0.496 615 HG22 THR 78 HG22 THR 78 6.040 -9.517 0.189 616 HG23 THR 78 HG23 THR 78 5.460 -10.031 1.773 617 H LYS 79 H LYS 79 6.832 -12.157 4.409 618 HA LYS 79 HA LYS 79 4.419 -13.578 3.511 619 HB2 LYS 79 HB3 LYS 79 6.149 -14.583 5.195 620 HB3 LYS 79 HB2 LYS 79 5.351 -13.534 6.359 621 HG2 LYS 79 HG3 LYS 79 4.569 -15.988 6.086 622 HG3 LYS 79 HG2 LYS 79 3.373 -14.703 6.267 623 HD2 LYS 79 HD3 LYS 79 2.827 -16.335 4.469 624 HD3 LYS 79 HD2 LYS 79 2.966 -14.669 3.900 625 HE2 LYS 79 HE3 LYS 79 4.065 -16.326 2.411 626 HE3 LYS 79 HE2 LYS 79 5.160 -15.088 3.024 627 HZ1 LYS 79 HZ1 LYS 79 6.071 -17.370 3.093 628 HZ2 LYS 79 HZ2 LYS 79 4.884 -17.789 4.222 629 HZ3 LYS 79 HZ3 LYS 79 6.045 -16.619 4.601 630 H MET 80 H MET 80 2.513 -13.001 4.113 631 HA MET 80 HA MET 80 2.343 -10.339 5.397 632 HB2 MET 80 HB3 MET 80 0.646 -11.748 3.364 633 HB3 MET 80 HB2 MET 80 -0.085 -10.511 4.379 634 HG2 MET 80 HG3 MET 80 2.427 -9.983 2.838 635 HG3 MET 80 HG2 MET 80 0.836 -9.821 2.098 636 HE1 MET 80 HE1 MET 80 -0.453 -8.220 2.043 637 HE2 MET 80 HE2 MET 80 0.105 -6.571 2.323 638 HE3 MET 80 HE3 MET 80 -0.999 -7.334 3.467 639 H ILE 81 H ILE 81 1.926 -10.311 7.295 640 HA ILE 81 HA ILE 81 0.283 -12.356 8.627 641 HB ILE 81 HB ILE 81 2.374 -10.514 9.792 642 HG12 ILE 81 HG13 ILE 81 3.291 -12.975 10.300 643 HG13 ILE 81 HG12 ILE 81 2.377 -13.333 8.838 644 HG21 ILE 81 HG21 ILE 81 1.351 -12.784 11.363 645 HG22 ILE 81 HG22 ILE 81 0.227 -11.444 11.129 646 HG23 ILE 81 HG23 ILE 81 1.769 -11.161 11.869 647 HD11 ILE 81 HD11 ILE 81 4.428 -12.866 7.962 648 HD12 ILE 81 HD12 ILE 81 4.804 -11.674 9.217 649 HD13 ILE 81 HD13 ILE 81 3.683 -11.267 7.897 650 H PHE 82 H PHE 82 -1.543 -11.882 9.600 651 HA PHE 82 HA PHE 82 -2.994 -10.606 10.725 652 HB2 PHE 82 HB3 PHE 82 -1.007 -9.110 11.290 653 HB3 PHE 82 HB2 PHE 82 -1.586 -8.077 10.032 654 HD1 PHE 82 HD1 PHE 82 -2.151 -9.468 13.358 655 HD2 PHE 82 HD2 PHE 82 -3.551 -6.817 10.339 656 HE1 PHE 82 HE1 PHE 82 -3.703 -8.453 14.976 657 HE2 PHE 82 HE2 PHE 82 -5.122 -5.885 11.907 658 HZ PHE 82 HZ PHE 82 -5.228 -6.697 14.229 659 H ALA 83 H ALA 83 -4.660 -8.959 10.113 660 HA ALA 83 HA ALA 83 -5.193 -7.515 8.037 661 HB1 ALA 83 HB1 ALA 83 -5.907 -9.283 6.212 662 HB2 ALA 83 HB2 ALA 83 -4.619 -10.216 6.971 663 HB3 ALA 83 HB3 ALA 83 -4.271 -8.629 6.285 664 H GLY 84 H GLY 84 -6.893 -7.089 9.480 665 HA2 GLY 84 HA3 GLY 84 -8.909 -9.086 9.985 666 HA3 GLY 84 HA2 GLY 84 -8.951 -7.407 10.501 667 H ILE 85 H ILE 85 -8.356 -7.887 7.219 668 HA ILE 85 HA ILE 85 -11.190 -7.540 6.512 669 HB ILE 85 HB ILE 85 -8.898 -5.906 5.423 670 HG12 ILE 85 HG13 ILE 85 -10.434 -5.514 7.713 671 HG13 ILE 85 HG12 ILE 85 -9.461 -4.301 6.887 672 HG21 ILE 85 HG21 ILE 85 -11.820 -5.852 4.684 673 HG22 ILE 85 HG22 ILE 85 -10.513 -6.487 3.684 674 HG23 ILE 85 HG23 ILE 85 -10.574 -4.766 4.069 675 HD11 ILE 85 HD11 ILE 85 -11.588 -3.990 5.426 676 HD12 ILE 85 HD12 ILE 85 -11.499 -3.261 7.029 677 HD13 ILE 85 HD13 ILE 85 -12.400 -4.757 6.789 678 H LYS 86 H LYS 86 -11.808 -8.334 4.500 679 HA LYS 86 HA LYS 86 -9.819 -9.568 2.783 680 HB2 LYS 86 HB3 LYS 86 -11.425 -11.679 2.832 681 HB3 LYS 86 HB2 LYS 86 -10.084 -11.515 3.955 682 HG2 LYS 86 HG3 LYS 86 -12.357 -10.233 5.083 683 HG3 LYS 86 HG2 LYS 86 -12.830 -11.840 4.530 684 HD2 LYS 86 HD3 LYS 86 -11.363 -12.908 5.956 685 HD3 LYS 86 HD2 LYS 86 -10.295 -11.510 6.072 686 HE2 LYS 86 HE3 LYS 86 -12.401 -10.414 7.206 687 HE3 LYS 86 HE2 LYS 86 -12.832 -12.095 7.521 688 HZ1 LYS 86 HZ1 LYS 86 -10.158 -11.050 8.213 689 HZ2 LYS 86 HZ2 LYS 86 -10.953 -12.411 8.827 690 HZ3 LYS 86 HZ3 LYS 86 -11.468 -10.859 9.268 691 H LYS 87 H LYS 87 -13.209 -8.903 3.455 692 HA LYS 87 HA LYS 87 -14.543 -9.486 1.218 693 HB2 LYS 87 HB3 LYS 87 -14.864 -7.627 3.291 694 HB3 LYS 87 HB2 LYS 87 -15.056 -6.705 1.806 695 HG2 LYS 87 HG3 LYS 87 -17.144 -7.429 1.689 696 HG3 LYS 87 HG2 LYS 87 -16.525 -9.064 1.446 697 HD2 LYS 87 HD3 LYS 87 -16.357 -9.215 3.977 698 HD3 LYS 87 HD2 LYS 87 -17.321 -7.737 4.026 699 HE2 LYS 87 HE3 LYS 87 -18.640 -9.849 4.255 700 HE3 LYS 87 HE2 LYS 87 -19.150 -8.804 2.928 701 HZ1 LYS 87 HZ1 LYS 87 -18.860 -11.329 2.535 702 HZ2 LYS 87 HZ2 LYS 87 -17.213 -10.959 2.421 703 HZ3 LYS 87 HZ3 LYS 87 -18.317 -10.241 1.360 704 H LYS 88 H LYS 88 -14.069 -9.331 -0.868 705 HA LYS 88 HA LYS 88 -12.023 -7.897 -2.013 706 HB2 LYS 88 HB3 LYS 88 -13.180 -9.689 -3.187 707 HB3 LYS 88 HB2 LYS 88 -14.645 -8.718 -3.272 708 HG2 LYS 88 HG3 LYS 88 -13.655 -7.199 -4.797 709 HG3 LYS 88 HG2 LYS 88 -12.049 -7.886 -4.539 710 HD2 LYS 88 HD3 LYS 88 -14.260 -8.822 -6.242 711 HD3 LYS 88 HD2 LYS 88 -12.518 -9.012 -6.438 712 HE2 LYS 88 HE3 LYS 88 -13.475 -11.179 -6.089 713 HE3 LYS 88 HE2 LYS 88 -12.571 -10.736 -4.642 714 HZ1 LYS 88 HZ1 LYS 88 -15.210 -11.531 -4.782 715 HZ2 LYS 88 HZ2 LYS 88 -15.260 -9.877 -4.431 716 HZ3 LYS 88 HZ3 LYS 88 -14.396 -10.926 -3.427 717 H THR 89 H THR 89 -15.346 -6.888 -1.435 718 HA THR 89 HA THR 89 -15.189 -4.447 -2.873 719 HB THR 89 HB THR 89 -17.325 -4.021 -2.103 720 HG1 THR 89 HG1 THR 89 -17.217 -3.822 0.021 721 HG21 THR 89 HG21 THR 89 -17.199 -6.959 -1.498 722 HG22 THR 89 HG22 THR 89 -17.251 -6.292 -3.131 723 HG23 THR 89 HG23 THR 89 -18.597 -6.020 -2.023 724 H GLU 90 H GLU 90 -14.276 -5.348 0.345 725 HA GLU 90 HA GLU 90 -14.048 -2.694 1.391 726 HB2 GLU 90 HB3 GLU 90 -12.798 -5.247 2.422 727 HB3 GLU 90 HB2 GLU 90 -13.001 -3.749 3.320 728 HG2 GLU 90 HG3 GLU 90 -15.461 -4.904 2.194 729 HG3 GLU 90 HG2 GLU 90 -14.683 -5.840 3.470 730 H ARG 91 H ARG 91 -11.827 -5.183 0.243 731 HA ARG 91 HA ARG 91 -9.472 -3.698 0.627 732 HB2 ARG 91 HB3 ARG 91 -9.991 -5.921 -1.290 733 HB3 ARG 91 HB2 ARG 91 -8.451 -5.080 -1.171 734 HG2 ARG 91 HG3 ARG 91 -8.882 -5.692 1.424 735 HG3 ARG 91 HG2 ARG 91 -9.677 -7.061 0.622 736 HD2 ARG 91 HD3 ARG 91 -7.039 -6.869 -0.670 737 HD3 ARG 91 HD2 ARG 91 -6.931 -6.590 1.066 738 HE ARG 91 HE ARG 91 -8.252 -8.713 1.112 739 HH11 ARG 91 HH11 ARG 91 -5.872 -7.773 -1.250 740 HH12 ARG 91 HH12 ARG 91 -5.334 -9.324 -1.523 741 HH21 ARG 91 HH21 ARG 91 -7.569 -10.854 0.716 742 HH22 ARG 91 HH22 ARG 91 -6.313 -11.156 -0.423 743 H GLU 92 H GLU 92 -11.423 -4.114 -2.213 744 HA GLU 92 HA GLU 92 -9.946 -2.455 -3.906 745 HB2 GLU 92 HB3 GLU 92 -11.796 -4.053 -4.555 746 HB3 GLU 92 HB2 GLU 92 -12.940 -2.830 -4.015 747 HG2 GLU 92 HG3 GLU 92 -12.696 -2.700 -6.395 748 HG3 GLU 92 HG2 GLU 92 -11.992 -1.260 -5.660 749 H ASP 93 H ASP 93 -12.615 -1.729 -1.719 750 HA ASP 93 HA ASP 93 -13.075 0.926 -2.468 751 HB2 ASP 93 HB3 ASP 93 -14.638 -0.063 -0.989 752 HB3 ASP 93 HB2 ASP 93 -13.383 -0.523 0.157 753 H GLY 94 H GLY 94 -10.770 -0.368 -0.085 754 HA2 GLY 94 HA3 GLY 94 -9.736 1.964 0.809 755 HA3 GLY 94 HA2 GLY 94 -8.899 0.422 0.836 756 H ILE 95 H ILE 95 -8.905 0.061 -1.874 757 HA ILE 95 HA ILE 95 -6.509 1.281 -2.582 758 HB ILE 95 HB ILE 95 -8.477 -0.368 -3.967 759 HG12 ILE 95 HG13 ILE 95 -5.480 -0.345 -3.628 760 HG13 ILE 95 HG12 ILE 95 -6.639 -1.406 -2.833 761 HG21 ILE 95 HG21 ILE 95 -8.334 0.693 -5.918 762 HG22 ILE 95 HG22 ILE 95 -6.649 0.179 -5.967 763 HG23 ILE 95 HG23 ILE 95 -7.067 1.768 -5.328 764 HD11 ILE 95 HD11 ILE 95 -6.310 -1.388 -5.806 765 HD12 ILE 95 HD12 ILE 95 -7.021 -2.628 -4.774 766 HD13 ILE 95 HD13 ILE 95 -5.279 -2.356 -4.751 767 H ALA 96 H ALA 96 -9.864 2.115 -3.333 768 HA ALA 96 HA ALA 96 -9.429 4.016 -5.284 769 HB1 ALA 96 HB1 ALA 96 -11.637 3.253 -4.818 770 HB2 ALA 96 HB2 ALA 96 -11.638 4.909 -4.607 771 HB3 ALA 96 HB3 ALA 96 -11.626 3.816 -3.222 772 H TYR 97 H TYR 97 -9.696 4.247 -1.753 773 HA TYR 97 HA TYR 97 -9.278 7.017 -1.543 774 HB2 TYR 97 HB3 TYR 97 -10.101 5.892 0.381 775 HB3 TYR 97 HB2 TYR 97 -8.781 4.730 0.363 776 HD1 TYR 97 HD1 TYR 97 -7.832 5.049 2.440 777 HD2 TYR 97 HD2 TYR 97 -8.545 8.424 0.036 778 HE1 TYR 97 HE1 TYR 97 -6.575 6.465 3.990 779 HE2 TYR 97 HE2 TYR 97 -7.294 9.833 1.615 780 HH TYR 97 HH TYR 97 -5.483 8.473 4.255 781 H LEU 98 H LEU 98 -7.083 4.288 -1.738 782 HA LEU 98 HA LEU 98 -4.682 5.629 -1.148 783 HB2 LEU 98 HB3 LEU 98 -5.452 3.038 -1.815 784 HB3 LEU 98 HB2 LEU 98 -4.393 3.519 -3.125 785 HG LEU 98 HG LEU 98 -3.614 3.714 -0.220 786 HD11 LEU 98 HD11 LEU 98 -2.142 1.674 -1.322 787 HD12 LEU 98 HD12 LEU 98 -3.751 1.412 -2.009 788 HD13 LEU 98 HD13 LEU 98 -3.525 1.483 -0.245 789 HD21 LEU 98 HD21 LEU 98 -2.112 3.940 -2.818 790 HD22 LEU 98 HD22 LEU 98 -1.320 3.720 -1.258 791 HD23 LEU 98 HD23 LEU 98 -2.293 5.160 -1.558 792 H LYS 99 H LYS 99 -6.530 5.261 -4.109 793 HA LYS 99 HA LYS 99 -4.620 6.117 -5.957 794 HB2 LYS 99 HB3 LYS 99 -7.574 6.712 -6.131 795 HB3 LYS 99 HB2 LYS 99 -6.438 6.511 -7.459 796 HG2 LYS 99 HG3 LYS 99 -7.385 4.369 -5.568 797 HG3 LYS 99 HG2 LYS 99 -7.837 4.561 -7.263 798 HD2 LYS 99 HD3 LYS 99 -6.137 2.879 -6.579 799 HD3 LYS 99 HD2 LYS 99 -5.211 4.454 -7.593 800 HE2 LYS 99 HE3 LYS 99 -4.017 3.721 -5.869 801 HE3 LYS 99 HE2 LYS 99 -5.454 3.869 -4.858 802 HZ1 LYS 99 HZ1 LYS 99 -4.098 1.630 -5.555 803 HZ2 LYS 99 HZ2 LYS 99 -5.612 1.585 -6.305 804 HZ3 LYS 99 HZ3 LYS 99 -5.506 1.769 -4.628 805 H LYS 100 H LYS 100 -6.956 7.977 -4.039 806 HA LYS 100 HA LYS 100 -6.115 10.491 -5.141 807 HB2 LYS 100 HB3 LYS 100 -8.174 10.942 -4.367 808 HB3 LYS 100 HB2 LYS 100 -8.161 9.536 -3.314 809 HG2 LYS 100 HG3 LYS 100 -6.836 10.837 -1.673 810 HG3 LYS 100 HG2 LYS 100 -7.016 12.252 -2.712 811 HD2 LYS 100 HD3 LYS 100 -9.184 10.718 -1.289 812 HD3 LYS 100 HD2 LYS 100 -8.693 12.392 -1.025 813 HE2 LYS 100 HE3 LYS 100 -9.769 11.427 -3.660 814 HE3 LYS 100 HE2 LYS 100 -10.821 12.005 -2.370 815 HZ1 LYS 100 HZ1 LYS 100 -9.385 13.509 -4.249 816 HZ2 LYS 100 HZ2 LYS 100 -8.780 13.876 -2.713 817 HZ3 LYS 100 HZ3 LYS 100 -10.430 14.062 -3.039 818 H ALA 101 H ALA 101 -5.464 8.612 -2.280 819 HA ALA 101 HA ALA 101 -4.088 10.450 -0.712 820 HB1 ALA 101 HB1 ALA 101 -3.314 7.561 -0.768 821 HB2 ALA 101 HB2 ALA 101 -4.899 8.054 -0.172 822 HB3 ALA 101 HB3 ALA 101 -3.435 8.659 0.607 823 H THR 102 H THR 102 -3.096 8.687 -3.520 824 HA THR 102 HA THR 102 -0.320 9.572 -3.132 825 HB THR 102 HB THR 102 -0.252 7.305 -3.742 826 HG1 THR 102 HG1 THR 102 0.882 7.460 -5.507 827 HG21 THR 102 HG21 THR 102 -2.746 7.872 -5.129 828 HG22 THR 102 HG22 THR 102 -2.160 6.376 -4.403 829 HG23 THR 102 HG23 THR 102 -1.657 6.822 -6.035 830 H ASN 103 H ASN 103 -3.251 10.062 -4.780 831 HA ASN 103 HA ASN 103 -2.249 12.479 -5.946 832 HB2 ASN 103 HB3 ASN 103 -3.634 10.784 -7.958 833 HB3 ASN 103 HB2 ASN 103 -2.394 12.014 -8.186 834 HD21 ASN 103 HD21 ASN 103 -2.984 8.700 -7.213 835 HD22 ASN 103 HD22 ASN 103 -1.386 8.123 -7.523 836 H GLU 104 H GLU 104 -3.793 13.917 -5.222 837 HA GLU 104 HA GLU 104 -6.219 14.458 -6.108 838 HB2 GLU 104 HB3 GLU 104 -6.385 12.078 -4.332 839 HB3 GLU 104 HB2 GLU 104 -7.671 13.269 -4.232 840 HG2 GLU 104 HG3 GLU 104 -7.009 12.529 -6.967 841 HG3 GLU 104 HG2 GLU 104 -7.558 11.170 -5.988 842 HHA HEC 201 HHA HEC 201 5.114 -4.977 0.439 843 HHB HEC 201 HHB HEC 201 -0.263 -2.295 0.303 844 HHC HEC 201 HHC HEC 201 -1.884 -5.950 5.188 845 HHD HEC 201 HHD HEC 201 4.055 -5.679 6.756 846 HMA1 HEC 201 HMA1 HEC 201 0.860 -1.047 -1.093 847 HMA2 HEC 201 HMA2 HEC 201 2.437 -0.394 -0.670 848 HMA3 HEC 201 HMA3 HEC 201 2.270 -1.483 -1.406 849 HAA1 HEC 201 HAA1 HEC 201 4.932 -3.058 -1.483 850 HAA2 HEC 201 HAA2 HEC 201 5.528 -2.426 0.059 851 HBA1 HEC 201 HBA1 HEC 201 4.032 -0.429 -0.228 852 HBA2 HEC 201 HBA2 HEC 201 3.774 -0.966 -1.823 853 HMB1 HEC 201 HMB1 HEC 201 -3.431 -1.776 2.014 854 HMB2 HEC 201 HMB2 HEC 201 -3.524 -3.058 0.789 855 HMB3 HEC 201 HMB3 HEC 201 -2.255 -1.809 0.676 856 HAB HEC 201 HAB HEC 201 -3.731 -3.108 4.519 857 HBB1 HEC 201 HBB1 HEC 201 -5.187 -5.071 2.733 858 HBB2 HEC 201 HBB2 HEC 201 -4.539 -3.577 2.022 859 HBB3 HEC 201 HBB3 HEC 201 -5.652 -3.491 3.417 860 HMC1 HEC 201 HMC1 HEC 201 -0.935 -7.381 8.516 861 HMC2 HEC 201 HMC2 HEC 201 -1.735 -7.553 6.930 862 HMC3 HEC 201 HMC3 HEC 201 -0.584 -8.141 7.260 863 HAC HEC 201 HAC HEC 201 2.990 -6.683 8.250 864 HBC1 HEC 201 HBC1 HEC 201 3.263 -9.071 7.693 865 HBC2 HEC 201 HBC2 HEC 201 1.611 -9.380 8.265 866 HBC3 HEC 201 HBC3 HEC 201 2.864 -8.830 9.412 867 HMD1 HEC 201 HMD1 HEC 201 5.975 -6.884 6.344 868 HMD2 HEC 201 HMD2 HEC 201 7.122 -5.591 5.939 869 HMD3 HEC 201 HMD3 HEC 201 7.210 -7.160 5.088 870 HAD1 HEC 201 HAD1 HEC 201 7.908 -6.172 3.109 871 HAD2 HEC 201 HAD2 HEC 201 7.503 -4.745 2.139 872 HBD1 HEC 201 HBD1 HEC 201 7.802 -7.410 1.251 873 HBD2 HEC 201 HBD2 HEC 201 7.262 -6.005 0.311 Start of MODEL 13 1 H1 GLY 1 1H GLY 1 -19.408 4.018 -0.412 2 H2 GLY 1 2H GLY 1 -18.801 3.491 -1.900 3 H3 GLY 1 3H GLY 1 -18.971 5.145 -1.596 4 HA2 GLY 1 HA2 GLY 1 -17.336 3.776 0.340 5 HA3 GLY 1 HA3 GLY 1 -16.686 3.736 -1.292 6 H ASP 2 H ASP 2 -16.599 5.364 1.534 7 HA ASP 2 HA ASP 2 -16.019 7.918 0.184 8 HB2 ASP 2 HB3 ASP 2 -16.629 7.598 3.176 9 HB3 ASP 2 HB2 ASP 2 -16.667 9.085 2.138 10 H VAL 3 H VAL 3 -14.249 9.185 1.053 11 HA VAL 3 HA VAL 3 -11.891 7.686 1.371 12 HB VAL 3 HB VAL 3 -12.582 10.571 1.504 13 HG11 VAL 3 HG11 VAL 3 -11.251 10.643 3.403 14 HG12 VAL 3 HG12 VAL 3 -10.098 10.961 2.108 15 HG13 VAL 3 HG13 VAL 3 -10.192 9.355 2.831 16 HG21 VAL 3 HG21 VAL 3 -11.831 10.292 -0.579 17 HG22 VAL 3 HG22 VAL 3 -11.107 8.729 -0.196 18 HG23 VAL 3 HG23 VAL 3 -10.218 10.218 0.130 19 H GLU 4 H GLU 4 -13.924 9.401 3.707 20 HA GLU 4 HA GLU 4 -12.288 9.107 6.007 21 HB2 GLU 4 HB3 GLU 4 -14.208 10.575 6.039 22 HB3 GLU 4 HB2 GLU 4 -15.301 9.220 5.792 23 HG2 GLU 4 HG3 GLU 4 -14.407 8.316 8.000 24 HG3 GLU 4 HG2 GLU 4 -13.716 9.920 8.238 25 H LYS 5 H LYS 5 -14.830 6.965 4.760 26 HA LYS 5 HA LYS 5 -14.652 5.046 6.820 27 HB2 LYS 5 HB3 LYS 5 -15.524 4.611 3.957 28 HB3 LYS 5 HB2 LYS 5 -15.911 3.589 5.333 29 HG2 LYS 5 HG3 LYS 5 -16.819 6.045 6.142 30 HG3 LYS 5 HG2 LYS 5 -17.170 6.045 4.412 31 HD2 LYS 5 HD3 LYS 5 -17.839 3.545 5.796 32 HD3 LYS 5 HD2 LYS 5 -18.770 4.949 6.324 33 HE2 LYS 5 HE3 LYS 5 -20.042 4.785 4.515 34 HE3 LYS 5 HE2 LYS 5 -18.624 5.025 3.496 35 HZ1 LYS 5 HZ1 LYS 5 -20.149 2.690 3.855 36 HZ2 LYS 5 HZ2 LYS 5 -18.571 2.390 4.385 37 HZ3 LYS 5 HZ3 LYS 5 -18.841 2.948 2.811 38 H GLY 6 H GLY 6 -12.985 5.403 3.756 39 HA2 GLY 6 HA3 GLY 6 -11.715 2.896 3.677 40 HA3 GLY 6 HA2 GLY 6 -11.151 4.345 2.860 41 H LYS 7 H LYS 7 -10.698 5.988 5.051 42 HA LYS 7 HA LYS 7 -8.105 5.269 5.704 43 HB2 LYS 7 HB3 LYS 7 -8.514 7.538 5.922 44 HB3 LYS 7 HB2 LYS 7 -10.029 7.287 6.779 45 HG2 LYS 7 HG3 LYS 7 -7.871 6.236 8.334 46 HG3 LYS 7 HG2 LYS 7 -7.510 7.897 7.857 47 HD2 LYS 7 HD3 LYS 7 -10.185 7.958 8.599 48 HD3 LYS 7 HD2 LYS 7 -9.428 6.897 9.787 49 HE2 LYS 7 HE3 LYS 7 -8.919 8.816 10.839 50 HE3 LYS 7 HE2 LYS 7 -7.613 8.905 9.657 51 HZ1 LYS 7 HZ1 LYS 7 -8.538 10.926 9.321 52 HZ2 LYS 7 HZ2 LYS 7 -10.083 10.447 9.817 53 HZ3 LYS 7 HZ3 LYS 7 -9.532 10.050 8.268 54 H LYS 8 H LYS 8 -10.865 4.984 7.570 55 HA LYS 8 HA LYS 8 -9.910 3.868 9.982 56 HB2 LYS 8 HB3 LYS 8 -12.047 4.612 10.276 57 HB3 LYS 8 HB2 LYS 8 -12.544 4.156 8.653 58 HG2 LYS 8 HG3 LYS 8 -11.938 1.952 10.524 59 HG3 LYS 8 HG2 LYS 8 -13.393 2.897 10.842 60 HD2 LYS 8 HD3 LYS 8 -14.305 2.377 8.719 61 HD3 LYS 8 HD2 LYS 8 -12.768 1.729 8.141 62 HE2 LYS 8 HE3 LYS 8 -14.013 0.481 10.535 63 HE3 LYS 8 HE2 LYS 8 -14.729 0.151 8.957 64 HZ1 LYS 8 HZ1 LYS 8 -11.847 -0.222 9.544 65 HZ2 LYS 8 HZ2 LYS 8 -12.700 -0.758 8.185 66 HZ3 LYS 8 HZ3 LYS 8 -12.992 -1.459 9.695 67 H ILE 9 H ILE 9 -11.016 2.430 6.953 68 HA ILE 9 HA ILE 9 -11.047 -0.251 7.784 69 HB ILE 9 HB ILE 9 -10.843 1.107 5.137 70 HG12 ILE 9 HG13 ILE 9 -12.688 -1.032 6.228 71 HG13 ILE 9 HG12 ILE 9 -13.024 0.698 6.247 72 HG21 ILE 9 HG21 ILE 9 -10.595 -1.931 5.366 73 HG22 ILE 9 HG22 ILE 9 -9.203 -0.808 5.156 74 HG23 ILE 9 HG23 ILE 9 -10.470 -0.896 3.932 75 HD11 ILE 9 HD11 ILE 9 -13.202 -1.296 4.025 76 HD12 ILE 9 HD12 ILE 9 -12.530 0.336 3.627 77 HD13 ILE 9 HD13 ILE 9 -14.131 0.218 4.358 78 H PHE 10 H PHE 10 -8.489 1.707 6.309 79 HA PHE 10 HA PHE 10 -6.547 -0.341 6.161 80 HB2 PHE 10 HB3 PHE 10 -5.956 1.432 4.826 81 HB3 PHE 10 HB2 PHE 10 -6.540 2.630 5.974 82 HD1 PHE 10 HD1 PHE 10 -3.697 1.370 4.481 83 HD2 PHE 10 HD2 PHE 10 -5.159 2.575 8.293 84 HE1 PHE 10 HE1 PHE 10 -1.389 1.759 5.240 85 HE2 PHE 10 HE2 PHE 10 -2.853 2.967 9.059 86 HZ PHE 10 HZ PHE 10 -0.964 2.559 7.531 87 H VAL 11 H VAL 11 -7.386 1.986 8.651 88 HA VAL 11 HA VAL 11 -5.216 1.812 10.331 89 HB VAL 11 HB VAL 11 -8.132 2.072 11.040 90 HG11 VAL 11 HG11 VAL 11 -5.681 2.255 12.768 91 HG12 VAL 11 HG12 VAL 11 -7.141 1.299 13.027 92 HG13 VAL 11 HG13 VAL 11 -7.195 3.054 13.194 93 HG21 VAL 11 HG21 VAL 11 -6.248 3.842 9.882 94 HG22 VAL 11 HG22 VAL 11 -6.580 4.409 11.520 95 HG23 VAL 11 HG23 VAL 11 -7.906 4.178 10.378 96 H GLN 12 H GLN 12 -8.039 -0.408 10.288 97 HA GLN 12 HA GLN 12 -6.729 -2.110 12.320 98 HB2 GLN 12 HB3 GLN 12 -9.074 -3.309 11.025 99 HB3 GLN 12 HB2 GLN 12 -8.809 -2.853 12.724 100 HG2 GLN 12 HG3 GLN 12 -9.202 -0.449 11.602 101 HG3 GLN 12 HG2 GLN 12 -10.230 -1.477 10.629 102 HE21 GLN 12 HE21 GLN 12 -12.014 -0.280 11.545 103 HE22 GLN 12 HE22 GLN 12 -12.571 -0.661 13.129 104 H LYS 13 H LYS 13 -7.810 -2.154 9.116 105 HA LYS 13 HA LYS 13 -7.301 -4.122 7.561 106 HB2 LYS 13 HB3 LYS 13 -6.889 -1.388 7.340 107 HB3 LYS 13 HB2 LYS 13 -5.397 -2.124 6.800 108 HG2 LYS 13 HG3 LYS 13 -8.033 -2.104 5.631 109 HG3 LYS 13 HG2 LYS 13 -6.472 -2.215 4.838 110 HD2 LYS 13 HD3 LYS 13 -6.306 -4.522 5.768 111 HD3 LYS 13 HD2 LYS 13 -8.053 -4.371 6.137 112 HE2 LYS 13 HE3 LYS 13 -6.792 -4.920 3.615 113 HE3 LYS 13 HE2 LYS 13 -8.525 -4.934 4.055 114 HZ1 LYS 13 HZ1 LYS 13 -8.676 -2.618 3.565 115 HZ2 LYS 13 HZ2 LYS 13 -7.989 -3.361 2.258 116 HZ3 LYS 13 HZ3 LYS 13 -7.047 -2.496 3.303 117 H CYS 14 H CYS 14 -4.588 -2.474 9.111 118 HA CYS 14 HA CYS 14 -2.864 -4.455 9.510 119 HB2 CYS 14 HB3 CYS 14 -1.474 -4.868 7.595 120 HB3 CYS 14 HB2 CYS 14 -3.141 -5.506 7.454 121 H ALA 15 H ALA 15 -3.402 -1.465 9.696 122 HA ALA 15 HA ALA 15 -1.316 -0.131 8.512 123 HB1 ALA 15 HB1 ALA 15 -2.546 0.714 11.121 124 HB2 ALA 15 HB2 ALA 15 -3.376 0.879 9.548 125 HB3 ALA 15 HB3 ALA 15 -1.870 1.736 9.853 126 H GLN 16 H GLN 16 -1.405 -1.927 11.502 127 HA GLN 16 HA GLN 16 0.764 -0.951 12.797 128 HB2 GLN 16 HB3 GLN 16 0.470 -3.889 12.846 129 HB3 GLN 16 HB2 GLN 16 0.545 -2.740 14.176 130 HG2 GLN 16 HG3 GLN 16 -1.756 -2.056 13.531 131 HG3 GLN 16 HG2 GLN 16 -1.758 -3.488 12.483 132 HE21 GLN 16 HE21 GLN 16 -0.640 -2.709 15.789 133 HE22 GLN 16 HE22 GLN 16 -1.340 -4.015 16.563 134 H CYS 17 H CYS 17 0.546 -3.157 10.109 135 HA CYS 17 HA CYS 17 3.342 -3.813 10.110 136 HB2 CYS 17 HB3 CYS 17 1.463 -4.153 7.762 137 HB3 CYS 17 HB2 CYS 17 2.853 -5.154 8.201 138 H HIS 18 H HIS 18 1.407 -1.285 8.871 139 HA HIS 18 HA HIS 18 3.612 -0.392 7.139 140 HB2 HIS 18 HB3 HIS 18 0.715 0.477 7.069 141 HB3 HIS 18 HB2 HIS 18 1.943 0.970 5.905 142 HD1 HIS 18 HD1 HIS 18 1.691 -0.171 3.745 143 HD2 HIS 18 HD2 HIS 18 0.717 -2.634 7.024 144 HE1 HIS 18 HE1 HIS 18 1.046 -2.416 2.800 145 H THR 19 H THR 19 3.129 -0.035 10.134 146 HA THR 19 HA THR 19 3.309 1.576 11.716 147 HB THR 19 HB THR 19 4.724 3.038 9.540 148 HG1 THR 19 HG1 THR 19 6.584 1.986 10.294 149 HG21 THR 19 HG21 THR 19 5.197 3.173 12.491 150 HG22 THR 19 HG22 THR 19 4.279 4.384 11.554 151 HG23 THR 19 HG23 THR 19 5.962 4.142 11.220 152 H VAL 20 H VAL 20 2.659 3.675 12.411 153 HA VAL 20 HA VAL 20 0.349 4.554 11.091 154 HB VAL 20 HB VAL 20 1.375 5.915 13.502 155 HG11 VAL 20 HG11 VAL 20 -0.675 6.544 12.209 156 HG12 VAL 20 HG12 VAL 20 -0.717 6.479 13.931 157 HG13 VAL 20 HG13 VAL 20 -1.386 5.153 12.999 158 HG21 VAL 20 HG21 VAL 20 0.463 4.193 14.945 159 HG22 VAL 20 HG22 VAL 20 1.569 3.482 13.858 160 HG23 VAL 20 HG23 VAL 20 -0.055 3.281 13.528 161 H GLU 21 H GLU 21 1.342 7.180 12.416 162 HA GLU 21 HA GLU 21 1.641 8.650 10.017 163 HB2 GLU 21 HB3 GLU 21 1.933 10.226 12.418 164 HB3 GLU 21 HB2 GLU 21 0.845 10.410 11.095 165 HG2 GLU 21 HG3 GLU 21 -0.634 8.745 12.189 166 HG3 GLU 21 HG2 GLU 21 0.543 8.599 13.508 167 H LYS 22 H LYS 22 3.324 9.792 9.468 168 HA LYS 22 HA LYS 22 5.808 8.640 9.988 169 HB2 LYS 22 HB3 LYS 22 5.113 10.289 8.143 170 HB3 LYS 22 HB2 LYS 22 5.536 11.526 9.271 171 HG2 LYS 22 HG3 LYS 22 7.310 9.417 8.061 172 HG3 LYS 22 HG2 LYS 22 7.409 11.196 7.858 173 HD2 LYS 22 HD3 LYS 22 7.929 9.720 10.438 174 HD3 LYS 22 HD2 LYS 22 9.115 10.531 9.388 175 HE2 LYS 22 HE3 LYS 22 8.210 12.684 9.841 176 HE3 LYS 22 HE2 LYS 22 6.822 11.985 10.714 177 HZ1 LYS 22 HZ1 LYS 22 9.317 12.738 11.680 178 HZ2 LYS 22 HZ2 LYS 22 9.194 11.058 11.857 179 HZ3 LYS 22 HZ3 LYS 22 8.034 12.056 12.549 180 H GLY 23 H GLY 23 7.049 8.612 11.688 181 HA2 GLY 23 HA3 GLY 23 8.175 10.463 13.184 182 HA3 GLY 23 HA2 GLY 23 6.584 10.516 13.832 183 H GLY 24 H GLY 24 6.091 7.664 13.508 184 HA2 GLY 24 HA3 GLY 24 7.304 6.754 15.969 185 HA3 GLY 24 HA2 GLY 24 6.193 5.838 14.961 186 H LYS 25 H LYS 25 7.122 3.953 14.496 187 HA LYS 25 HA LYS 25 9.944 3.951 13.758 188 HB2 LYS 25 HB3 LYS 25 8.750 1.335 14.235 189 HB3 LYS 25 HB2 LYS 25 10.250 2.128 14.945 190 HG2 LYS 25 HG3 LYS 25 9.119 2.829 16.743 191 HG3 LYS 25 HG2 LYS 25 7.610 3.018 15.893 192 HD2 LYS 25 HD3 LYS 25 8.839 0.431 16.802 193 HD3 LYS 25 HD2 LYS 25 7.378 1.212 17.495 194 HE2 LYS 25 HE3 LYS 25 6.080 0.237 15.987 195 HE3 LYS 25 HE2 LYS 25 6.973 0.964 14.699 196 HZ1 LYS 25 HZ1 LYS 25 7.013 -1.710 15.701 197 HZ2 LYS 25 HZ2 LYS 25 8.550 -1.097 15.497 198 HZ3 LYS 25 HZ3 LYS 25 7.507 -1.145 14.211 199 H HIS 26 H HIS 26 10.697 2.572 12.101 200 HA HIS 26 HA HIS 26 9.090 2.804 9.789 201 HB2 HIS 26 HB3 HIS 26 10.998 0.745 9.387 202 HB3 HIS 26 HB2 HIS 26 11.015 2.391 8.807 203 HD1 HIS 26 HD1 HIS 26 11.751 0.725 12.161 204 HD2 HIS 26 HD2 HIS 26 13.279 3.611 9.591 205 HE1 HIS 26 HE1 HIS 26 13.883 1.536 13.220 206 HE2 HIS 26 HE2 HIS 26 14.736 3.335 11.720 207 H LYS 27 H LYS 27 7.765 1.402 8.627 208 HA LYS 27 HA LYS 27 6.700 -0.822 10.171 209 HB2 LYS 27 HB3 LYS 27 4.840 -0.709 8.774 210 HB3 LYS 27 HB2 LYS 27 5.380 0.976 8.694 211 HG2 LYS 27 HG3 LYS 27 6.718 -0.301 6.632 212 HG3 LYS 27 HG2 LYS 27 5.121 -1.014 6.629 213 HD2 LYS 27 HD3 LYS 27 5.562 1.098 5.252 214 HD3 LYS 27 HD2 LYS 27 4.115 1.064 6.234 215 HE2 LYS 27 HE3 LYS 27 4.711 2.732 7.482 216 HE3 LYS 27 HE2 LYS 27 6.347 2.071 7.749 217 HZ1 LYS 27 HZ1 LYS 27 7.125 3.027 5.720 218 HZ2 LYS 27 HZ2 LYS 27 6.324 4.248 6.538 219 HZ3 LYS 27 HZ3 LYS 27 5.600 3.482 5.264 220 H THR 28 H THR 28 6.026 -2.812 8.786 221 HA THR 28 HA THR 28 8.500 -4.081 7.952 222 HB THR 28 HB THR 28 5.881 -5.250 7.215 223 HG1 THR 28 HG1 THR 28 6.709 -5.289 9.864 224 HG21 THR 28 HG21 THR 28 6.840 -7.183 7.842 225 HG22 THR 28 HG22 THR 28 7.981 -6.548 8.852 226 HG23 THR 28 HG23 THR 28 8.215 -6.261 7.144 227 H GLY 29 H GLY 29 5.702 -2.740 6.218 228 HA2 GLY 29 HA3 GLY 29 7.306 -2.853 3.760 229 HA3 GLY 29 HA2 GLY 29 5.667 -3.411 3.755 230 HA PRO 30 HA PRO 30 6.529 1.366 2.974 231 HB2 PRO 30 HB3 PRO 30 5.414 0.361 0.467 232 HB3 PRO 30 HB2 PRO 30 6.566 1.685 0.783 233 HG2 PRO 30 HG3 PRO 30 7.422 -0.692 -0.106 234 HG3 PRO 30 HG2 PRO 30 8.355 0.198 1.107 235 HD2 PRO 30 HD3 PRO 30 6.780 -2.200 1.350 236 HD3 PRO 30 HD2 PRO 30 8.155 -1.582 2.284 237 H ASN 31 H ASN 31 4.886 2.408 3.890 238 HA ASN 31 HA ASN 31 2.338 1.464 4.280 239 HB2 ASN 31 HB3 ASN 31 3.607 3.569 5.270 240 HB3 ASN 31 HB2 ASN 31 2.651 4.380 4.043 241 HD21 ASN 31 HD21 ASN 31 2.007 5.305 6.254 242 HD22 ASN 31 HD22 ASN 31 0.705 4.585 6.938 243 H LEU 32 H LEU 32 3.207 3.988 2.095 244 HA LEU 32 HA LEU 32 1.729 2.940 0.053 245 HB2 LEU 32 HB3 LEU 32 -0.168 4.449 -0.210 246 HB3 LEU 32 HB2 LEU 32 -0.204 3.489 1.259 247 HG LEU 32 HG LEU 32 -1.254 5.618 1.822 248 HD11 LEU 32 HD11 LEU 32 1.410 5.246 2.763 249 HD12 LEU 32 HD12 LEU 32 -0.017 4.565 3.542 250 HD13 LEU 32 HD13 LEU 32 0.250 6.307 3.563 251 HD21 LEU 32 HD21 LEU 32 -0.481 7.580 1.060 252 HD22 LEU 32 HD22 LEU 32 0.189 6.504 -0.166 253 HD23 LEU 32 HD23 LEU 32 1.180 7.022 1.204 254 H HIS 33 H HIS 33 3.185 5.626 1.540 255 HA HIS 33 HA HIS 33 3.288 7.550 -0.408 256 HB2 HIS 33 HB3 HIS 33 4.606 7.070 2.067 257 HB3 HIS 33 HB2 HIS 33 5.905 7.291 0.837 258 HD1 HIS 33 HD1 HIS 33 6.555 9.555 1.979 259 HD2 HIS 33 HD2 HIS 33 2.764 9.483 0.278 260 HE1 HIS 33 HE1 HIS 33 5.818 11.920 1.875 261 HE2 HIS 33 HE2 HIS 33 3.473 11.874 0.934 262 H GLY 34 H GLY 34 4.020 7.627 -2.406 263 HA2 GLY 34 HA3 GLY 34 5.325 7.267 -4.272 264 HA3 GLY 34 HA2 GLY 34 6.491 6.454 -3.233 265 H LEU 35 H LEU 35 3.282 5.252 -2.982 266 HA LEU 35 HA LEU 35 4.017 2.654 -3.781 267 HB2 LEU 35 HB3 LEU 35 2.071 3.287 -2.308 268 HB3 LEU 35 HB2 LEU 35 1.226 3.894 -3.728 269 HG LEU 35 HG LEU 35 1.174 1.632 -4.695 270 HD11 LEU 35 HD11 LEU 35 2.358 -0.045 -3.906 271 HD12 LEU 35 HD12 LEU 35 2.220 0.342 -2.255 272 HD13 LEU 35 HD13 LEU 35 3.409 1.098 -3.276 273 HD21 LEU 35 HD21 LEU 35 0.331 1.991 -1.873 274 HD22 LEU 35 HD22 LEU 35 0.009 0.490 -2.740 275 HD23 LEU 35 HD23 LEU 35 -0.608 2.010 -3.384 276 H PHE 36 H PHE 36 2.213 5.185 -5.524 277 HA PHE 36 HA PHE 36 2.533 3.618 -7.987 278 HB2 PHE 36 HB3 PHE 36 0.789 5.912 -7.905 279 HB3 PHE 36 HB2 PHE 36 0.677 4.355 -8.741 280 HD1 PHE 36 HD1 PHE 36 -0.372 2.570 -7.714 281 HD2 PHE 36 HD2 PHE 36 0.193 6.059 -5.548 282 HE1 PHE 36 HE1 PHE 36 -1.904 1.740 -5.946 283 HE2 PHE 36 HE2 PHE 36 -1.358 5.192 -3.797 284 HZ PHE 36 HZ PHE 36 -2.413 3.018 -4.050 285 H GLY 37 H GLY 37 4.277 5.714 -6.505 286 HA2 GLY 37 HA3 GLY 37 4.823 7.355 -8.904 287 HA3 GLY 37 HA2 GLY 37 4.933 8.003 -7.266 288 H ARG 38 H ARG 38 6.196 5.756 -6.056 289 HA ARG 38 HA ARG 38 8.917 6.173 -7.062 290 HB2 ARG 38 HB3 ARG 38 7.808 4.848 -4.605 291 HB3 ARG 38 HB2 ARG 38 9.568 4.895 -4.995 292 HG2 ARG 38 HG3 ARG 38 9.250 7.458 -5.076 293 HG3 ARG 38 HG2 ARG 38 7.697 7.131 -4.296 294 HD2 ARG 38 HD3 ARG 38 8.697 6.914 -2.312 295 HD3 ARG 38 HD2 ARG 38 9.752 5.693 -2.964 296 HE ARG 38 HE ARG 38 11.387 7.248 -2.729 297 HH11 ARG 38 HH11 ARG 38 8.454 8.816 -3.762 298 HH12 ARG 38 HH12 ARG 38 9.182 10.382 -3.888 299 HH21 ARG 38 HH21 ARG 38 12.324 9.300 -2.862 300 HH22 ARG 38 HH22 ARG 38 11.401 10.661 -3.391 301 H LYS 39 H LYS 39 10.423 4.200 -7.088 302 HA LYS 39 HA LYS 39 9.636 2.472 -9.030 303 HB2 LYS 39 HB3 LYS 39 11.984 2.934 -8.444 304 HB3 LYS 39 HB2 LYS 39 11.774 2.036 -6.913 305 HG2 LYS 39 HG3 LYS 39 12.763 0.979 -9.233 306 HG3 LYS 39 HG2 LYS 39 12.058 0.150 -7.894 307 HD2 LYS 39 HD3 LYS 39 11.105 -0.497 -10.033 308 HD3 LYS 39 HD2 LYS 39 9.891 0.220 -8.958 309 HE2 LYS 39 HE3 LYS 39 10.451 2.307 -10.250 310 HE3 LYS 39 HE2 LYS 39 11.248 1.419 -11.385 311 HZ1 LYS 39 HZ1 LYS 39 9.265 0.600 -12.121 312 HZ2 LYS 39 HZ2 LYS 39 8.717 2.114 -11.545 313 HZ3 LYS 39 HZ3 LYS 39 8.487 0.703 -10.578 314 H THR 40 H THR 40 10.788 0.856 -6.164 315 HA THR 40 HA THR 40 8.183 -0.073 -5.314 316 HB THR 40 HB THR 40 8.682 -2.341 -5.067 317 HG1 THR 40 HG1 THR 40 10.162 -3.536 -5.971 318 HG21 THR 40 HG21 THR 40 8.360 -2.099 -7.818 319 HG22 THR 40 HG22 THR 40 8.646 -2.936 -6.607 320 HG23 THR 40 HG23 THR 40 7.255 -2.954 -6.304 321 H GLY 41 H GLY 41 8.150 0.335 -3.544 322 HA2 GLY 41 HA3 GLY 41 8.664 0.408 -1.293 323 HA3 GLY 41 HA2 GLY 41 9.324 -1.186 -1.586 324 H GLN 42 H GLN 42 10.525 1.784 -2.974 325 HA GLN 42 HA GLN 42 13.071 1.316 -1.664 326 HB2 GLN 42 HB3 GLN 42 13.552 3.336 -3.448 327 HB3 GLN 42 HB2 GLN 42 13.800 1.583 -3.753 328 HG2 GLN 42 HG3 GLN 42 12.521 2.793 -5.546 329 HG3 GLN 42 HG2 GLN 42 11.685 1.446 -4.823 330 HE21 GLN 42 HE21 GLN 42 9.620 1.955 -4.823 331 HE22 GLN 42 HE22 GLN 42 8.913 3.469 -4.326 332 H ALA 43 H ALA 43 11.181 2.361 -0.008 333 HA ALA 43 HA ALA 43 10.976 5.091 0.168 334 HB1 ALA 43 HB1 ALA 43 11.106 4.293 2.812 335 HB2 ALA 43 HB2 ALA 43 10.545 2.829 1.935 336 HB3 ALA 43 HB3 ALA 43 9.660 4.357 1.807 337 HA PRO 44 HA PRO 44 14.803 6.592 1.701 338 HB2 PRO 44 HB3 PRO 44 14.193 8.288 3.734 339 HB3 PRO 44 HB2 PRO 44 13.707 8.585 2.025 340 HG2 PRO 44 HG3 PRO 44 12.117 7.477 4.331 341 HG3 PRO 44 HG2 PRO 44 11.651 8.671 3.125 342 HD2 PRO 44 HD3 PRO 44 10.998 5.965 3.011 343 HD3 PRO 44 HD2 PRO 44 11.111 7.070 1.581 344 H GLY 45 H GLY 45 14.019 7.246 4.911 345 HA2 GLY 45 HA3 GLY 45 16.042 5.472 5.897 346 HA3 GLY 45 HA2 GLY 45 14.918 6.443 6.868 347 H PHE 46 H PHE 46 13.163 4.606 4.644 348 HA PHE 46 HA PHE 46 12.232 2.834 6.728 349 HB2 PHE 46 HB3 PHE 46 10.640 3.832 5.191 350 HB3 PHE 46 HB2 PHE 46 11.433 3.056 3.802 351 HD1 PHE 46 HD1 PHE 46 9.647 2.355 7.009 352 HD2 PHE 46 HD2 PHE 46 10.786 0.891 3.159 353 HE1 PHE 46 HE1 PHE 46 8.202 0.392 7.288 354 HE2 PHE 46 HE2 PHE 46 9.309 -1.095 3.417 355 HZ PHE 46 HZ PHE 46 8.048 -1.327 5.544 356 H THR 47 H THR 47 12.699 0.700 6.952 357 HA THR 47 HA THR 47 14.852 -0.413 5.401 358 HB THR 47 HB THR 47 13.920 -0.771 7.983 359 HG1 THR 47 HG1 THR 47 15.655 -2.257 8.066 360 HG21 THR 47 HG21 THR 47 13.598 -3.203 8.109 361 HG22 THR 47 HG22 THR 47 13.333 -3.244 6.385 362 HG23 THR 47 HG23 THR 47 12.227 -2.342 7.458 363 H TYR 48 H TYR 48 14.333 -0.935 3.391 364 HA TYR 48 HA TYR 48 11.822 -2.086 2.678 365 HB2 TYR 48 HB3 TYR 48 13.732 -2.633 0.736 366 HB3 TYR 48 HB2 TYR 48 12.462 -1.415 0.754 367 HD1 TYR 48 HD1 TYR 48 15.917 -1.945 1.992 368 HD2 TYR 48 HD2 TYR 48 13.073 0.817 0.583 369 HE1 TYR 48 HE1 TYR 48 17.620 -0.225 2.155 370 HE2 TYR 48 HE2 TYR 48 14.777 2.583 0.660 371 HH TYR 48 HH TYR 48 17.892 2.080 2.146 372 H THR 49 H THR 49 11.595 -4.132 1.693 373 HA THR 49 HA THR 49 12.885 -6.214 3.175 374 HB THR 49 HB THR 49 11.284 -7.637 2.059 375 HG1 THR 49 HG1 THR 49 9.828 -6.617 0.519 376 HG21 THR 49 HG21 THR 49 9.362 -5.554 2.237 377 HG22 THR 49 HG22 THR 49 10.481 -5.513 3.601 378 HG23 THR 49 HG23 THR 49 9.528 -6.991 3.245 379 H ASP 50 H ASP 50 13.545 -8.233 1.763 380 HA ASP 50 HA ASP 50 15.769 -7.617 0.312 381 HB2 ASP 50 HB3 ASP 50 15.809 -9.817 1.004 382 HB3 ASP 50 HB2 ASP 50 14.115 -10.084 0.606 383 H ALA 51 H ALA 51 12.468 -8.045 -0.746 384 HA ALA 51 HA ALA 51 13.013 -8.075 -3.498 385 HB1 ALA 51 HB1 ALA 51 10.870 -8.652 -3.570 386 HB2 ALA 51 HB2 ALA 51 10.366 -7.150 -2.966 387 HB3 ALA 51 HB3 ALA 51 10.745 -8.489 -1.800 388 H ASN 52 H ASN 52 11.921 -5.603 -1.171 389 HA ASN 52 HA ASN 52 11.567 -3.515 -3.023 390 HB2 ASN 52 HB3 ASN 52 12.334 -3.405 -0.091 391 HB3 ASN 52 HB2 ASN 52 11.794 -2.088 -1.091 392 HD21 ASN 52 HD21 ASN 52 10.044 -4.114 -2.479 393 HD22 ASN 52 HD22 ASN 52 8.651 -4.135 -1.452 394 H LYS 53 H LYS 53 14.383 -4.453 -1.110 395 HA LYS 53 HA LYS 53 16.116 -2.510 -1.889 396 HB2 LYS 53 HB3 LYS 53 17.954 -4.115 -1.319 397 HB3 LYS 53 HB2 LYS 53 16.789 -3.839 -0.086 398 HG2 LYS 53 HG3 LYS 53 15.669 -5.828 -0.429 399 HG3 LYS 53 HG2 LYS 53 16.574 -6.120 -1.939 400 HD2 LYS 53 HD3 LYS 53 17.766 -7.420 -0.484 401 HD3 LYS 53 HD2 LYS 53 18.635 -5.940 -0.259 402 HE2 LYS 53 HE3 LYS 53 18.116 -5.937 1.819 403 HE3 LYS 53 HE2 LYS 53 16.432 -5.853 1.416 404 HZ1 LYS 53 HZ1 LYS 53 17.952 -8.052 2.432 405 HZ2 LYS 53 HZ2 LYS 53 17.091 -8.480 1.017 406 HZ3 LYS 53 HZ3 LYS 53 16.270 -7.866 2.363 407 H ASN 54 H ASN 54 15.124 -5.340 -3.490 408 HA ASN 54 HA ASN 54 17.178 -5.258 -5.490 409 HB2 ASN 54 HB3 ASN 54 14.553 -6.730 -5.422 410 HB3 ASN 54 HB2 ASN 54 15.860 -6.982 -6.602 411 HD21 ASN 54 HD21 ASN 54 17.227 -6.226 -3.732 412 HD22 ASN 54 HD22 ASN 54 17.477 -7.819 -3.080 413 H LYS 55 H LYS 55 14.225 -3.624 -4.933 414 HA LYS 55 HA LYS 55 13.213 -1.951 -6.071 415 HB2 LYS 55 HB3 LYS 55 15.497 -2.427 -7.973 416 HB3 LYS 55 HB2 LYS 55 14.198 -1.237 -8.315 417 HG2 LYS 55 HG3 LYS 55 15.001 0.188 -6.910 418 HG3 LYS 55 HG2 LYS 55 15.374 -1.037 -5.707 419 HD2 LYS 55 HD3 LYS 55 17.034 -0.223 -8.026 420 HD3 LYS 55 HD2 LYS 55 17.447 -0.143 -6.338 421 HE2 LYS 55 HE3 LYS 55 17.072 -2.674 -6.428 422 HE3 LYS 55 HE2 LYS 55 17.386 -2.443 -8.152 423 HZ1 LYS 55 HZ1 LYS 55 19.469 -2.922 -7.240 424 HZ2 LYS 55 HZ2 LYS 55 19.238 -1.915 -5.888 425 HZ3 LYS 55 HZ3 LYS 55 19.476 -1.224 -7.413 426 H GLY 56 H GLY 56 11.786 -4.026 -6.128 427 HA2 GLY 56 HA3 GLY 56 11.324 -5.516 -8.400 428 HA3 GLY 56 HA2 GLY 56 10.105 -5.117 -7.244 429 H ILE 57 H ILE 57 8.488 -3.746 -7.789 430 HA ILE 57 HA ILE 57 8.929 -1.930 -10.037 431 HB ILE 57 HB ILE 57 7.792 -4.321 -10.593 432 HG12 ILE 57 HG13 ILE 57 8.645 -3.232 -12.383 433 HG13 ILE 57 HG12 ILE 57 6.967 -2.910 -12.634 434 HG21 ILE 57 HG21 ILE 57 5.736 -4.010 -9.557 435 HG22 ILE 57 HG22 ILE 57 5.472 -3.640 -11.222 436 HG23 ILE 57 HG23 ILE 57 5.666 -2.325 -10.135 437 HD11 ILE 57 HD11 ILE 57 7.196 -0.696 -12.130 438 HD12 ILE 57 HD12 ILE 57 8.818 -1.025 -12.635 439 HD13 ILE 57 HD13 ILE 57 8.449 -1.029 -10.914 440 H THR 58 H THR 58 6.955 -0.603 -10.465 441 HA THR 58 HA THR 58 6.102 0.538 -7.925 442 HB THR 58 HB THR 58 6.533 1.572 -10.529 443 HG1 THR 58 HG1 THR 58 6.034 3.459 -9.531 444 HG21 THR 58 HG21 THR 58 4.134 0.985 -11.070 445 HG22 THR 58 HG22 THR 58 4.531 2.731 -11.109 446 HG23 THR 58 HG23 THR 58 3.680 2.052 -9.722 447 H TRP 59 H TRP 59 4.442 -0.240 -6.857 448 HA TRP 59 HA TRP 59 2.465 -1.931 -8.012 449 HB2 TRP 59 HB3 TRP 59 1.830 -0.538 -5.518 450 HB3 TRP 59 HB2 TRP 59 1.818 -2.276 -5.844 451 HD1 TRP 59 HD1 TRP 59 4.228 0.499 -4.910 452 HE1 TRP 59 HE1 TRP 59 6.329 -0.514 -3.789 453 HE3 TRP 59 HE3 TRP 59 3.115 -4.349 -5.593 454 HZ2 TRP 59 HZ2 TRP 59 7.329 -3.101 -3.273 455 HZ3 TRP 59 HZ3 TRP 59 4.646 -6.066 -4.732 456 HH2 TRP 59 HH2 TRP 59 6.738 -5.459 -3.630 457 H LYS 60 H LYS 60 1.096 -1.299 -9.504 458 HA LYS 60 HA LYS 60 -0.108 1.308 -9.214 459 HB2 LYS 60 HB3 LYS 60 0.179 1.445 -11.450 460 HB3 LYS 60 HB2 LYS 60 0.755 -0.198 -11.481 461 HG2 LYS 60 HG3 LYS 60 -0.956 -0.541 -12.851 462 HG3 LYS 60 HG2 LYS 60 -1.838 -0.663 -11.307 463 HD2 LYS 60 HD3 LYS 60 -2.981 1.261 -11.720 464 HD3 LYS 60 HD2 LYS 60 -1.532 2.092 -12.240 465 HE2 LYS 60 HE3 LYS 60 -2.196 0.160 -14.220 466 HE3 LYS 60 HE2 LYS 60 -3.676 1.003 -13.801 467 HZ1 LYS 60 HZ1 LYS 60 -1.760 1.845 -15.560 468 HZ2 LYS 60 HZ2 LYS 60 -1.393 2.709 -14.136 469 HZ3 LYS 60 HZ3 LYS 60 -2.914 2.819 -14.820 470 H GLU 61 H GLU 61 -2.420 1.432 -10.031 471 HA GLU 61 HA GLU 61 -4.037 -0.146 -8.261 472 HB2 GLU 61 HB3 GLU 61 -4.461 2.043 -9.966 473 HB3 GLU 61 HB2 GLU 61 -5.520 0.836 -10.618 474 HG2 GLU 61 HG3 GLU 61 -5.800 0.817 -7.768 475 HG3 GLU 61 HG2 GLU 61 -5.957 2.466 -8.374 476 H GLU 62 H GLU 62 -3.870 -0.398 -11.845 477 HA GLU 62 HA GLU 62 -5.454 -2.697 -11.997 478 HB2 GLU 62 HB3 GLU 62 -4.953 -2.685 -14.286 479 HB3 GLU 62 HB2 GLU 62 -4.617 -1.015 -13.856 480 HG2 GLU 62 HG3 GLU 62 -2.231 -1.635 -13.660 481 HG3 GLU 62 HG2 GLU 62 -2.648 -3.278 -14.170 482 H THR 63 H THR 63 -1.904 -2.270 -11.780 483 HA THR 63 HA THR 63 -1.209 -5.016 -12.137 484 HB THR 63 HB THR 63 0.047 -2.587 -11.655 485 HG1 THR 63 HG1 THR 63 1.393 -3.643 -12.903 486 HG21 THR 63 HG21 THR 63 1.590 -2.895 -9.984 487 HG22 THR 63 HG22 THR 63 1.266 -4.626 -9.899 488 HG23 THR 63 HG23 THR 63 0.072 -3.510 -9.231 489 H LEU 64 H LEU 64 -2.307 -3.190 -9.401 490 HA LEU 64 HA LEU 64 -1.570 -5.057 -7.396 491 HB2 LEU 64 HB3 LEU 64 -3.039 -2.542 -7.551 492 HB3 LEU 64 HB2 LEU 64 -3.732 -3.665 -6.354 493 HG LEU 64 HG LEU 64 -0.891 -2.668 -6.362 494 HD11 LEU 64 HD11 LEU 64 -1.902 -0.867 -5.479 495 HD12 LEU 64 HD12 LEU 64 -1.837 -1.899 -4.050 496 HD13 LEU 64 HD13 LEU 64 -3.353 -1.851 -4.996 497 HD21 LEU 64 HD21 LEU 64 -0.565 -3.843 -4.353 498 HD22 LEU 64 HD22 LEU 64 -1.057 -5.002 -5.605 499 HD23 LEU 64 HD23 LEU 64 -2.210 -4.465 -4.385 500 H MET 65 H MET 65 -4.397 -4.544 -9.394 501 HA MET 65 HA MET 65 -6.194 -6.256 -8.063 502 HB2 MET 65 HB3 MET 65 -5.952 -5.479 -10.967 503 HB3 MET 65 HB2 MET 65 -7.253 -6.467 -10.357 504 HG2 MET 65 HG3 MET 65 -6.657 -3.623 -9.614 505 HG3 MET 65 HG2 MET 65 -8.072 -4.249 -10.472 506 HE1 MET 65 HE1 MET 65 -6.531 -3.150 -7.304 507 HE2 MET 65 HE2 MET 65 -6.075 -4.828 -7.009 508 HE3 MET 65 HE3 MET 65 -7.303 -4.056 -6.004 509 H GLU 66 H GLU 66 -3.787 -6.931 -10.584 510 HA GLU 66 HA GLU 66 -4.432 -9.714 -10.695 511 HB2 GLU 66 HB3 GLU 66 -2.238 -9.787 -12.001 512 HB3 GLU 66 HB2 GLU 66 -3.600 -8.897 -12.713 513 HG2 GLU 66 HG3 GLU 66 -2.694 -6.813 -11.979 514 HG3 GLU 66 HG2 GLU 66 -1.331 -7.613 -11.144 515 H TYR 67 H TYR 67 -2.000 -7.664 -9.120 516 HA TYR 67 HA TYR 67 -0.440 -9.712 -8.233 517 HB2 TYR 67 HB3 TYR 67 0.613 -7.688 -7.947 518 HB3 TYR 67 HB2 TYR 67 -0.906 -6.914 -7.560 519 HD1 TYR 67 HD1 TYR 67 2.014 -8.622 -6.210 520 HD2 TYR 67 HD2 TYR 67 -1.725 -6.989 -5.242 521 HE1 TYR 67 HE1 TYR 67 2.603 -8.621 -3.843 522 HE2 TYR 67 HE2 TYR 67 -1.122 -7.008 -2.849 523 HH TYR 67 HH TYR 67 0.632 -7.108 -1.479 524 H LEU 68 H LEU 68 -3.445 -8.723 -7.185 525 HA LEU 68 HA LEU 68 -3.355 -9.566 -4.506 526 HB2 LEU 68 HB3 LEU 68 -5.553 -9.252 -6.497 527 HB3 LEU 68 HB2 LEU 68 -5.925 -9.901 -4.907 528 HG LEU 68 HG LEU 68 -4.643 -7.196 -5.406 529 HD11 LEU 68 HD11 LEU 68 -6.733 -6.191 -4.957 530 HD12 LEU 68 HD12 LEU 68 -7.463 -7.742 -4.618 531 HD13 LEU 68 HD13 LEU 68 -6.951 -7.385 -6.237 532 HD21 LEU 68 HD21 LEU 68 -4.069 -8.142 -3.274 533 HD22 LEU 68 HD22 LEU 68 -5.406 -7.202 -2.647 534 HD23 LEU 68 HD23 LEU 68 -5.242 -6.798 -3.034 535 H GLU 69 H GLU 69 -3.283 -11.349 -7.393 536 HA GLU 69 HA GLU 69 -4.610 -13.708 -6.663 537 HB2 GLU 69 HB3 GLU 69 -3.252 -12.823 -8.885 538 HB3 GLU 69 HB2 GLU 69 -2.262 -14.092 -8.291 539 HG2 GLU 69 HG3 GLU 69 -4.058 -15.673 -8.350 540 HG3 GLU 69 HG2 GLU 69 -5.136 -14.392 -8.902 541 H ASN 70 H ASN 70 -1.129 -13.615 -6.988 542 HA ASN 70 HA ASN 70 -0.932 -15.096 -4.554 543 HB2 ASN 70 HB3 ASN 70 0.444 -15.449 -7.136 544 HB3 ASN 70 HB2 ASN 70 1.299 -15.847 -5.756 545 HD21 ASN 70 HD21 ASN 70 -1.104 -16.715 -7.952 546 HD22 ASN 70 HD22 ASN 70 -1.596 -18.204 -7.301 547 HA PRO 71 HA PRO 71 1.120 -11.063 -3.597 548 HB2 PRO 71 HB3 PRO 71 1.117 -12.555 -0.976 549 HB3 PRO 71 HB2 PRO 71 0.697 -10.837 -1.343 550 HG2 PRO 71 HG3 PRO 71 -1.196 -12.646 -0.868 551 HG3 PRO 71 HG2 PRO 71 -1.427 -11.434 -2.092 552 HD2 PRO 71 HD3 PRO 71 -0.803 -14.333 -2.414 553 HD3 PRO 71 HD2 PRO 71 -1.790 -13.268 -3.437 554 H LYS 72 H LYS 72 2.057 -14.372 -2.822 555 HA LYS 72 HA LYS 72 4.773 -13.700 -2.190 556 HB2 LYS 72 HB3 LYS 72 4.749 -15.680 -1.281 557 HB3 LYS 72 HB2 LYS 72 3.122 -15.914 -1.761 558 HG2 LYS 72 HG3 LYS 72 4.080 -17.773 -2.693 559 HG3 LYS 72 HG2 LYS 72 4.272 -16.629 -3.994 560 HD2 LYS 72 HD3 LYS 72 6.508 -16.342 -2.203 561 HD3 LYS 72 HD2 LYS 72 6.311 -18.065 -2.644 562 HE2 LYS 72 HE3 LYS 72 5.959 -16.646 -5.014 563 HE3 LYS 72 HE2 LYS 72 7.371 -15.918 -4.203 564 HZ1 LYS 72 HZ1 LYS 72 8.312 -18.132 -4.055 565 HZ2 LYS 72 HZ2 LYS 72 7.964 -17.794 -5.667 566 HZ3 LYS 72 HZ3 LYS 72 6.978 -18.836 -4.773 567 H LYS 73 H LYS 73 2.960 -14.543 -4.997 568 HA LYS 73 HA LYS 73 5.102 -15.524 -6.533 569 HB2 LYS 73 HB3 LYS 73 3.547 -15.634 -8.250 570 HB3 LYS 73 HB2 LYS 73 2.482 -15.725 -6.853 571 HG2 LYS 73 HG3 LYS 73 1.358 -14.107 -7.957 572 HG3 LYS 73 HG2 LYS 73 2.545 -13.055 -7.235 573 HD2 LYS 73 HD3 LYS 73 2.150 -12.773 -9.744 574 HD3 LYS 73 HD2 LYS 73 3.814 -12.884 -9.188 575 HE2 LYS 73 HE3 LYS 73 3.301 -14.281 -11.221 576 HE3 LYS 73 HE2 LYS 73 4.064 -15.151 -9.856 577 HZ1 LYS 73 HZ1 LYS 73 1.736 -15.752 -9.158 578 HZ2 LYS 73 HZ2 LYS 73 2.325 -16.506 -10.601 579 HZ3 LYS 73 HZ3 LYS 73 1.199 -15.215 -10.719 580 H TYR 74 H TYR 74 3.817 -12.349 -5.783 581 HA TYR 74 HA TYR 74 5.334 -11.031 -7.871 582 HB2 TYR 74 HB3 TYR 74 3.410 -10.233 -5.770 583 HB3 TYR 74 HB2 TYR 74 4.598 -9.014 -6.222 584 HD1 TYR 74 HD1 TYR 74 2.083 -11.330 -7.704 585 HD2 TYR 74 HD2 TYR 74 4.232 -7.681 -8.095 586 HE1 TYR 74 HE1 TYR 74 0.701 -10.746 -9.675 587 HE2 TYR 74 HE2 TYR 74 2.855 -7.085 -10.066 588 HH TYR 74 HH TYR 74 0.609 -9.369 -11.470 589 H ILE 75 H ILE 75 5.550 -11.367 -4.347 590 HA ILE 75 HA ILE 75 8.402 -10.613 -4.529 591 HB ILE 75 HB ILE 75 6.411 -9.588 -2.588 592 HG12 ILE 75 HG13 ILE 75 6.461 -8.103 -4.311 593 HG13 ILE 75 HG12 ILE 75 7.643 -7.437 -3.171 594 HG21 ILE 75 HG21 ILE 75 8.435 -8.523 -1.492 595 HG22 ILE 75 HG22 ILE 75 9.415 -9.640 -2.402 596 HG23 ILE 75 HG23 ILE 75 8.231 -10.243 -1.274 597 HD11 ILE 75 HD11 ILE 75 8.949 -7.331 -5.007 598 HD12 ILE 75 HD12 ILE 75 7.995 -8.516 -5.842 599 HD13 ILE 75 HD13 ILE 75 9.175 -9.044 -4.709 600 HA PRO 76 HA PRO 76 7.927 -14.743 -2.651 601 HB2 PRO 76 HB3 PRO 76 10.617 -14.987 -3.814 602 HB3 PRO 76 HB2 PRO 76 9.273 -16.084 -3.877 603 HG2 PRO 76 HG3 PRO 76 9.914 -14.686 -5.979 604 HG3 PRO 76 HG2 PRO 76 8.183 -15.041 -5.526 605 HD2 PRO 76 HD3 PRO 76 9.803 -12.519 -5.174 606 HD3 PRO 76 HD2 PRO 76 8.109 -12.714 -5.674 607 H GLY 77 H GLY 77 8.522 -15.154 -0.602 608 HA2 GLY 77 HA3 GLY 77 10.312 -15.354 1.009 609 HA3 GLY 77 HA2 GLY 77 11.105 -13.961 0.326 610 H THR 78 H THR 78 8.236 -12.793 0.215 611 HA THR 78 HA THR 78 8.355 -11.668 2.922 612 HB THR 78 HB THR 78 8.153 -10.429 0.476 613 HG1 THR 78 HG1 THR 78 7.188 -9.415 2.962 614 HG21 THR 78 HG21 THR 78 5.720 -11.192 0.467 615 HG22 THR 78 HG22 THR 78 6.050 -9.515 0.146 616 HG23 THR 78 HG23 THR 78 5.441 -10.022 1.730 617 H LYS 79 H LYS 79 6.839 -12.166 4.395 618 HA LYS 79 HA LYS 79 4.426 -13.587 3.497 619 HB2 LYS 79 HB3 LYS 79 6.155 -14.592 5.181 620 HB3 LYS 79 HB2 LYS 79 5.358 -13.542 6.345 621 HG2 LYS 79 HG3 LYS 79 4.575 -15.996 6.074 622 HG3 LYS 79 HG2 LYS 79 3.379 -14.710 6.254 623 HD2 LYS 79 HD3 LYS 79 2.834 -16.343 4.456 624 HD3 LYS 79 HD2 LYS 79 2.973 -14.677 3.886 625 HE2 LYS 79 HE3 LYS 79 4.071 -16.335 2.399 626 HE3 LYS 79 HE2 LYS 79 5.167 -15.097 3.011 627 HZ1 LYS 79 HZ1 LYS 79 6.077 -17.379 3.081 628 HZ2 LYS 79 HZ2 LYS 79 4.890 -17.798 4.210 629 HZ3 LYS 79 HZ3 LYS 79 6.051 -16.627 4.588 630 H MET 80 H MET 80 2.519 -13.009 4.099 631 HA MET 80 HA MET 80 2.321 -10.341 5.381 632 HB2 MET 80 HB3 MET 80 0.658 -11.729 3.362 633 HB3 MET 80 HB2 MET 80 -0.068 -10.465 4.390 634 HG2 MET 80 HG3 MET 80 2.437 -9.979 2.795 635 HG3 MET 80 HG2 MET 80 0.843 -9.830 2.082 636 HE1 MET 80 HE1 MET 80 -0.442 -8.216 2.000 637 HE2 MET 80 HE2 MET 80 0.088 -6.547 2.318 638 HE3 MET 80 HE3 MET 80 -0.988 -7.330 3.423 639 H ILE 81 H ILE 81 1.904 -10.312 6.879 640 HA ILE 81 HA ILE 81 0.290 -12.361 8.613 641 HB ILE 81 HB ILE 81 2.360 -10.474 9.762 642 HG12 ILE 81 HG13 ILE 81 3.298 -12.981 10.286 643 HG13 ILE 81 HG12 ILE 81 2.384 -13.339 8.824 644 HG21 ILE 81 HG21 ILE 81 1.328 -12.783 11.348 645 HG22 ILE 81 HG22 ILE 81 0.210 -11.416 11.127 646 HG23 ILE 81 HG23 ILE 81 1.776 -11.165 11.854 647 HD11 ILE 81 HD11 ILE 81 4.406 -12.867 7.947 648 HD12 ILE 81 HD12 ILE 81 4.785 -11.662 9.174 649 HD13 ILE 81 HD13 ILE 81 3.690 -11.274 7.883 650 H PHE 82 H PHE 82 -1.565 -11.881 9.585 651 HA PHE 82 HA PHE 82 -2.957 -10.616 10.711 652 HB2 PHE 82 HB3 PHE 82 -1.024 -9.082 11.286 653 HB3 PHE 82 HB2 PHE 82 -1.578 -8.081 10.016 654 HD1 PHE 82 HD1 PHE 82 -2.111 -9.465 13.316 655 HD2 PHE 82 HD2 PHE 82 -3.535 -6.782 10.308 656 HE1 PHE 82 HE1 PHE 82 -3.694 -8.455 14.960 657 HE2 PHE 82 HE2 PHE 82 -5.113 -5.888 11.890 658 HZ PHE 82 HZ PHE 82 -5.190 -6.704 14.213 659 H ALA 83 H ALA 83 -4.652 -8.963 10.098 660 HA ALA 83 HA ALA 83 -5.180 -7.493 8.034 661 HB1 ALA 83 HB1 ALA 83 -5.841 -9.300 6.198 662 HB2 ALA 83 HB2 ALA 83 -4.611 -10.221 6.956 663 HB3 ALA 83 HB3 ALA 83 -4.255 -8.596 6.255 664 H GLY 84 H GLY 84 -6.853 -7.086 9.437 665 HA2 GLY 84 HA3 GLY 84 -8.898 -9.077 9.943 666 HA3 GLY 84 HA2 GLY 84 -8.914 -7.416 10.486 667 H ILE 85 H ILE 85 -8.345 -7.879 7.176 668 HA ILE 85 HA ILE 85 -11.152 -7.550 6.497 669 HB ILE 85 HB ILE 85 -8.890 -5.911 5.406 670 HG12 ILE 85 HG13 ILE 85 -10.393 -5.511 7.669 671 HG13 ILE 85 HG12 ILE 85 -9.449 -4.293 6.843 672 HG21 ILE 85 HG21 ILE 85 -11.812 -5.857 4.667 673 HG22 ILE 85 HG22 ILE 85 -10.475 -6.499 3.668 674 HG23 ILE 85 HG23 ILE 85 -10.560 -4.745 4.064 675 HD11 ILE 85 HD11 ILE 85 -11.579 -3.995 5.408 676 HD12 ILE 85 HD12 ILE 85 -11.485 -3.238 7.023 677 HD13 ILE 85 HD13 ILE 85 -12.387 -4.734 6.784 678 H LYS 86 H LYS 86 -11.766 -8.319 4.498 679 HA LYS 86 HA LYS 86 -9.792 -9.578 2.769 680 HB2 LYS 86 HB3 LYS 86 -11.418 -11.685 2.818 681 HB3 LYS 86 HB2 LYS 86 -10.076 -11.521 3.941 682 HG2 LYS 86 HG3 LYS 86 -12.347 -10.225 5.041 683 HG3 LYS 86 HG2 LYS 86 -12.791 -11.838 4.489 684 HD2 LYS 86 HD3 LYS 86 -11.322 -12.891 5.956 685 HD3 LYS 86 HD2 LYS 86 -10.285 -11.502 6.030 686 HE2 LYS 86 HE3 LYS 86 -12.391 -10.405 7.164 687 HE3 LYS 86 HE2 LYS 86 -12.825 -12.099 7.507 688 HZ1 LYS 86 HZ1 LYS 86 -10.150 -11.054 8.198 689 HZ2 LYS 86 HZ2 LYS 86 -10.916 -12.420 8.814 690 HZ3 LYS 86 HZ3 LYS 86 -11.431 -10.868 9.254 691 H LYS 87 H LYS 87 -13.172 -8.914 3.441 692 HA LYS 87 HA LYS 87 -14.533 -9.484 1.185 693 HB2 LYS 87 HB3 LYS 87 -14.848 -7.593 3.261 694 HB3 LYS 87 HB2 LYS 87 -15.040 -6.672 1.775 695 HG2 LYS 87 HG3 LYS 87 -17.130 -7.410 1.618 696 HG3 LYS 87 HG2 LYS 87 -16.488 -9.076 1.431 697 HD2 LYS 87 HD3 LYS 87 -16.312 -9.186 3.949 698 HD3 LYS 87 HD2 LYS 87 -17.313 -7.741 4.010 699 HE2 LYS 87 HE3 LYS 87 -18.631 -9.844 4.222 700 HE3 LYS 87 HE2 LYS 87 -19.142 -8.809 2.913 701 HZ1 LYS 87 HZ1 LYS 87 -18.853 -11.334 2.521 702 HZ2 LYS 87 HZ2 LYS 87 -17.187 -10.968 2.407 703 HZ3 LYS 87 HZ3 LYS 87 -18.310 -10.246 1.346 704 H LYS 88 H LYS 88 -14.060 -9.329 -0.901 705 HA LYS 88 HA LYS 88 -12.013 -7.893 -2.056 706 HB2 LYS 88 HB3 LYS 88 -13.144 -9.703 -3.201 707 HB3 LYS 88 HB2 LYS 88 -14.638 -8.726 -3.288 708 HG2 LYS 88 HG3 LYS 88 -13.617 -7.214 -4.813 709 HG3 LYS 88 HG2 LYS 88 -12.042 -7.894 -4.488 710 HD2 LYS 88 HD3 LYS 88 -14.236 -8.848 -6.230 711 HD3 LYS 88 HD2 LYS 88 -12.509 -9.008 -6.413 712 HE2 LYS 88 HE3 LYS 88 -13.437 -11.180 -6.063 713 HE3 LYS 88 HE2 LYS 88 -12.561 -10.732 -4.684 714 HZ1 LYS 88 HZ1 LYS 88 -15.203 -11.540 -4.796 715 HZ2 LYS 88 HZ2 LYS 88 -15.245 -9.846 -4.461 716 HZ3 LYS 88 HZ3 LYS 88 -14.389 -10.935 -3.442 717 H THR 89 H THR 89 -15.338 -6.895 -1.451 718 HA THR 89 HA THR 89 -15.187 -4.480 -2.837 719 HB THR 89 HB THR 89 -17.315 -4.020 -2.139 720 HG1 THR 89 HG1 THR 89 -17.208 -3.828 0.003 721 HG21 THR 89 HG21 THR 89 -17.157 -6.945 -1.500 722 HG22 THR 89 HG22 THR 89 -17.236 -6.260 -3.161 723 HG23 THR 89 HG23 THR 89 -18.556 -6.020 -2.066 724 H GLU 90 H GLU 90 -14.232 -5.330 0.310 725 HA GLU 90 HA GLU 90 -14.004 -2.679 1.386 726 HB2 GLU 90 HB3 GLU 90 -12.786 -5.240 2.378 727 HB3 GLU 90 HB2 GLU 90 -12.992 -3.754 3.302 728 HG2 GLU 90 HG3 GLU 90 -15.420 -4.898 2.186 729 HG3 GLU 90 HG2 GLU 90 -14.666 -5.806 3.439 730 H ARG 91 H ARG 91 -11.844 -5.212 0.235 731 HA ARG 91 HA ARG 91 -9.488 -3.728 0.618 732 HB2 ARG 91 HB3 ARG 91 -10.008 -5.951 -1.298 733 HB3 ARG 91 HB2 ARG 91 -8.467 -5.111 -1.179 734 HG2 ARG 91 HG3 ARG 91 -8.898 -5.721 1.416 735 HG3 ARG 91 HG2 ARG 91 -9.694 -7.091 0.615 736 HD2 ARG 91 HD3 ARG 91 -7.056 -6.899 -0.677 737 HD3 ARG 91 HD2 ARG 91 -6.948 -6.620 1.059 738 HE ARG 91 HE ARG 91 -8.269 -8.743 1.106 739 HH11 ARG 91 HH11 ARG 91 -5.890 -7.804 -1.257 740 HH12 ARG 91 HH12 ARG 91 -5.351 -9.355 -1.529 741 HH21 ARG 91 HH21 ARG 91 -7.586 -10.884 0.710 742 HH22 ARG 91 HH22 ARG 91 -6.331 -11.187 -0.428 743 H GLU 92 H GLU 92 -11.386 -4.128 -2.230 744 HA GLU 92 HA GLU 92 -9.938 -2.464 -3.925 745 HB2 GLU 92 HB3 GLU 92 -11.762 -4.080 -4.545 746 HB3 GLU 92 HB2 GLU 92 -12.902 -2.844 -4.033 747 HG2 GLU 92 HG3 GLU 92 -12.688 -2.710 -6.413 748 HG3 GLU 92 HG2 GLU 92 -11.983 -1.270 -5.679 749 H ASP 93 H ASP 93 -12.605 -1.722 -1.698 750 HA ASP 93 HA ASP 93 -13.068 0.906 -2.460 751 HB2 ASP 93 HB3 ASP 93 -14.628 -0.070 -1.008 752 HB3 ASP 93 HB2 ASP 93 -13.371 -0.517 0.110 753 H GLY 94 H GLY 94 -10.760 -0.375 -0.104 754 HA2 GLY 94 HA3 GLY 94 -9.726 1.956 0.788 755 HA3 GLY 94 HA2 GLY 94 -8.889 0.415 0.816 756 H ILE 95 H ILE 95 -8.896 0.053 -1.893 757 HA ILE 95 HA ILE 95 -6.476 1.241 -2.548 758 HB ILE 95 HB ILE 95 -8.471 -0.390 -3.959 759 HG12 ILE 95 HG13 ILE 95 -5.465 -0.328 -3.635 760 HG13 ILE 95 HG12 ILE 95 -6.633 -1.428 -2.825 761 HG21 ILE 95 HG21 ILE 95 -8.308 0.666 -5.911 762 HG22 ILE 95 HG22 ILE 95 -6.613 0.150 -5.959 763 HG23 ILE 95 HG23 ILE 95 -7.057 1.757 -5.348 764 HD11 ILE 95 HD11 ILE 95 -6.296 -1.372 -5.812 765 HD12 ILE 95 HD12 ILE 95 -7.012 -2.639 -4.792 766 HD13 ILE 95 HD13 ILE 95 -5.274 -2.380 -4.743 767 H ALA 96 H ALA 96 -9.857 2.094 -3.327 768 HA ALA 96 HA ALA 96 -9.389 4.000 -5.305 769 HB1 ALA 96 HB1 ALA 96 -11.591 3.278 -4.786 770 HB2 ALA 96 HB2 ALA 96 -11.638 4.847 -4.655 771 HB3 ALA 96 HB3 ALA 96 -11.597 3.748 -3.269 772 H TYR 97 H TYR 97 -9.685 4.239 -1.775 773 HA TYR 97 HA TYR 97 -9.267 7.009 -1.566 774 HB2 TYR 97 HB3 TYR 97 -10.096 5.858 0.346 775 HB3 TYR 97 HB2 TYR 97 -8.772 4.714 0.359 776 HD1 TYR 97 HD1 TYR 97 -7.822 5.042 2.418 777 HD2 TYR 97 HD2 TYR 97 -8.514 8.357 -0.012 778 HE1 TYR 97 HE1 TYR 97 -6.565 6.459 3.967 779 HE2 TYR 97 HE2 TYR 97 -7.287 9.799 1.578 780 HH TYR 97 HH TYR 97 -5.477 8.440 4.219 781 H LEU 98 H LEU 98 -7.078 4.253 -1.773 782 HA LEU 98 HA LEU 98 -4.676 5.593 -1.183 783 HB2 LEU 98 HB3 LEU 98 -5.442 3.029 -1.836 784 HB3 LEU 98 HB2 LEU 98 -4.391 3.469 -3.132 785 HG LEU 98 HG LEU 98 -3.550 3.667 -0.253 786 HD11 LEU 98 HD11 LEU 98 -2.103 1.658 -1.342 787 HD12 LEU 98 HD12 LEU 98 -3.717 1.370 -2.042 788 HD13 LEU 98 HD13 LEU 98 -3.496 1.470 -0.265 789 HD21 LEU 98 HD21 LEU 98 -2.043 3.918 -2.838 790 HD22 LEU 98 HD22 LEU 98 -1.313 3.697 -1.252 791 HD23 LEU 98 HD23 LEU 98 -2.283 5.150 -1.580 792 H LYS 99 H LYS 99 -6.519 5.251 -4.131 793 HA LYS 99 HA LYS 99 -4.610 6.106 -5.980 794 HB2 LYS 99 HB3 LYS 99 -7.563 6.702 -6.154 795 HB3 LYS 99 HB2 LYS 99 -6.428 6.499 -7.481 796 HG2 LYS 99 HG3 LYS 99 -7.375 4.358 -5.590 797 HG3 LYS 99 HG2 LYS 99 -7.827 4.549 -7.285 798 HD2 LYS 99 HD3 LYS 99 -6.128 2.868 -6.600 799 HD3 LYS 99 HD2 LYS 99 -5.201 4.442 -7.614 800 HE2 LYS 99 HE3 LYS 99 -4.007 3.709 -5.891 801 HE3 LYS 99 HE2 LYS 99 -5.444 3.858 -4.880 802 HZ1 LYS 99 HZ1 LYS 99 -4.088 1.618 -5.575 803 HZ2 LYS 99 HZ2 LYS 99 -5.603 1.574 -6.325 804 HZ3 LYS 99 HZ3 LYS 99 -5.497 1.758 -4.649 805 H LYS 100 H LYS 100 -6.933 7.924 -4.048 806 HA LYS 100 HA LYS 100 -6.108 10.454 -5.178 807 HB2 LYS 100 HB3 LYS 100 -8.133 10.926 -4.391 808 HB3 LYS 100 HB2 LYS 100 -8.121 9.520 -3.337 809 HG2 LYS 100 HG3 LYS 100 -6.832 10.789 -1.683 810 HG3 LYS 100 HG2 LYS 100 -7.005 12.243 -2.737 811 HD2 LYS 100 HD3 LYS 100 -9.177 10.683 -1.326 812 HD3 LYS 100 HD2 LYS 100 -8.685 12.371 -1.023 813 HE2 LYS 100 HE3 LYS 100 -9.728 11.412 -3.684 814 HE3 LYS 100 HE2 LYS 100 -10.809 11.997 -2.395 815 HZ1 LYS 100 HZ1 LYS 100 -9.317 13.475 -4.247 816 HZ2 LYS 100 HZ2 LYS 100 -8.768 13.867 -2.739 817 HZ3 LYS 100 HZ3 LYS 100 -10.401 13.982 -3.063 818 H ALA 101 H ALA 101 -5.458 8.576 -2.317 819 HA ALA 101 HA ALA 101 -4.082 10.416 -0.683 820 HB1 ALA 101 HB1 ALA 101 -3.303 7.552 -0.792 821 HB2 ALA 101 HB2 ALA 101 -4.888 8.045 -0.195 822 HB3 ALA 101 HB3 ALA 101 -3.398 8.632 0.611 823 H THR 102 H THR 102 -3.085 8.676 -3.544 824 HA THR 102 HA THR 102 -0.317 9.522 -3.143 825 HB THR 102 HB THR 102 -0.212 7.288 -3.765 826 HG1 THR 102 HG1 THR 102 0.889 7.435 -5.503 827 HG21 THR 102 HG21 THR 102 -2.740 7.834 -5.166 828 HG22 THR 102 HG22 THR 102 -2.135 6.334 -4.439 829 HG23 THR 102 HG23 THR 102 -1.646 6.810 -6.058 830 H ASN 103 H ASN 103 -3.244 10.024 -4.817 831 HA ASN 103 HA ASN 103 -2.213 12.435 -5.984 832 HB2 ASN 103 HB3 ASN 103 -3.625 10.759 -7.956 833 HB3 ASN 103 HB2 ASN 103 -2.388 11.974 -8.224 834 HD21 ASN 103 HD21 ASN 103 -2.954 8.684 -7.236 835 HD22 ASN 103 HD22 ASN 103 -1.380 8.084 -7.560 836 H GLU 104 H GLU 104 -3.781 13.906 -5.248 837 HA GLU 104 HA GLU 104 -6.181 14.429 -6.106 838 HB2 GLU 104 HB3 GLU 104 -6.373 12.068 -4.357 839 HB3 GLU 104 HB2 GLU 104 -7.665 13.234 -4.203 840 HG2 GLU 104 HG3 GLU 104 -6.997 12.518 -6.992 841 HG3 GLU 104 HG2 GLU 104 -7.522 11.127 -6.025 842 HHA HEC 201 HHA HEC 201 5.198 -5.125 0.496 843 HHB HEC 201 HHB HEC 201 -0.375 -2.407 0.351 844 HHC HEC 201 HHC HEC 201 -2.001 -6.060 5.239 845 HHD HEC 201 HHD HEC 201 4.134 -5.825 6.812 846 HMA1 HEC 201 HMA1 HEC 201 0.964 -1.114 -1.219 847 HMA2 HEC 201 HMA2 HEC 201 2.573 -0.283 -0.710 848 HMA3 HEC 201 HMA3 HEC 201 2.374 -1.549 -1.531 849 HAA1 HEC 201 HAA1 HEC 201 5.041 -2.994 -1.406 850 HAA2 HEC 201 HAA2 HEC 201 5.635 -2.363 0.134 851 HBA1 HEC 201 HBA1 HEC 201 4.167 -0.317 -0.267 852 HBA2 HEC 201 HBA2 HEC 201 3.894 -0.945 -1.904 853 HMB1 HEC 201 HMB1 HEC 201 -3.544 -1.890 2.060 854 HMB2 HEC 201 HMB2 HEC 201 -3.638 -3.172 0.837 855 HMB3 HEC 201 HMB3 HEC 201 -2.369 -1.923 0.724 856 HAB HEC 201 HAB HEC 201 -3.845 -3.219 4.565 857 HBB1 HEC 201 HBB1 HEC 201 -5.301 -5.183 2.779 858 HBB2 HEC 201 HBB2 HEC 201 -4.651 -3.689 2.070 859 HBB3 HEC 201 HBB3 HEC 201 -5.765 -3.603 3.462 860 HMC1 HEC 201 HMC1 HEC 201 -0.854 -7.530 8.570 861 HMC2 HEC 201 HMC2 HEC 201 -1.849 -7.662 6.979 862 HMC3 HEC 201 HMC3 HEC 201 -0.502 -8.290 7.315 863 HAC HEC 201 HAC HEC 201 3.069 -6.829 8.306 864 HBC1 HEC 201 HBC1 HEC 201 3.342 -9.217 7.749 865 HBC2 HEC 201 HBC2 HEC 201 1.690 -9.526 8.321 866 HBC3 HEC 201 HBC3 HEC 201 2.943 -8.976 9.468 867 HMD1 HEC 201 HMD1 HEC 201 6.057 -7.032 6.402 868 HMD2 HEC 201 HMD2 HEC 201 7.202 -5.739 5.997 869 HMD3 HEC 201 HMD3 HEC 201 7.291 -7.306 5.147 870 HAD1 HEC 201 HAD1 HEC 201 7.989 -6.318 3.167 871 HAD2 HEC 201 HAD2 HEC 201 7.585 -4.892 2.198 872 HBD1 HEC 201 HBD1 HEC 201 7.885 -7.557 1.310 873 HBD2 HEC 201 HBD2 HEC 201 7.346 -6.153 0.369 Start of MODEL 14 1 H1 GLY 1 1H GLY 1 -19.484 3.921 -0.260 2 H2 GLY 1 2H GLY 1 -18.859 3.372 -1.747 3 H3 GLY 1 3H GLY 1 -19.018 5.030 -1.455 4 HA2 GLY 1 HA2 GLY 1 -17.380 3.668 0.482 5 HA3 GLY 1 HA3 GLY 1 -16.745 3.585 -1.166 6 H ASP 2 H ASP 2 -16.645 5.319 1.617 7 HA ASP 2 HA ASP 2 -16.062 7.846 0.268 8 HB2 ASP 2 HB3 ASP 2 -16.645 7.601 3.167 9 HB3 ASP 2 HB2 ASP 2 -16.721 9.039 2.217 10 H VAL 3 H VAL 3 -14.303 9.143 1.131 11 HA VAL 3 HA VAL 3 -11.958 7.607 1.433 12 HB VAL 3 HB VAL 3 -12.628 10.523 1.559 13 HG11 VAL 3 HG11 VAL 3 -11.255 10.599 3.449 14 HG12 VAL 3 HG12 VAL 3 -10.143 10.878 2.130 15 HG13 VAL 3 HG13 VAL 3 -10.240 9.279 2.869 16 HG21 VAL 3 HG21 VAL 3 -11.862 10.203 -0.566 17 HG22 VAL 3 HG22 VAL 3 -11.145 8.640 -0.174 18 HG23 VAL 3 HG23 VAL 3 -10.245 10.126 0.134 19 H GLU 4 H GLU 4 -13.962 9.378 3.779 20 HA GLU 4 HA GLU 4 -12.277 9.113 5.950 21 HB2 GLU 4 HB3 GLU 4 -14.218 10.598 5.982 22 HB3 GLU 4 HB2 GLU 4 -15.293 9.228 5.781 23 HG2 GLU 4 HG3 GLU 4 -14.413 8.383 7.976 24 HG3 GLU 4 HG2 GLU 4 -13.714 9.972 8.223 25 H LYS 5 H LYS 5 -14.841 6.962 4.764 26 HA LYS 5 HA LYS 5 -14.657 5.085 6.852 27 HB2 LYS 5 HB3 LYS 5 -15.579 4.624 3.958 28 HB3 LYS 5 HB2 LYS 5 -15.929 3.636 5.358 29 HG2 LYS 5 HG3 LYS 5 -16.848 6.109 6.152 30 HG3 LYS 5 HG2 LYS 5 -17.194 6.080 4.451 31 HD2 LYS 5 HD3 LYS 5 -17.889 3.586 5.818 32 HD3 LYS 5 HD2 LYS 5 -18.774 5.020 6.356 33 HE2 LYS 5 HE3 LYS 5 -20.058 4.847 4.556 34 HE3 LYS 5 HE2 LYS 5 -18.674 5.077 3.525 35 HZ1 LYS 5 HZ1 LYS 5 -20.214 2.728 3.900 36 HZ2 LYS 5 HZ2 LYS 5 -18.632 2.436 4.462 37 HZ3 LYS 5 HZ3 LYS 5 -18.915 2.956 2.872 38 H GLY 6 H GLY 6 -13.038 5.395 3.743 39 HA2 GLY 6 HA3 GLY 6 -11.780 2.899 3.709 40 HA3 GLY 6 HA2 GLY 6 -11.183 4.332 2.878 41 H LYS 7 H LYS 7 -10.737 5.997 5.051 42 HA LYS 7 HA LYS 7 -8.141 5.282 5.667 43 HB2 LYS 7 HB3 LYS 7 -8.510 7.535 5.896 44 HB3 LYS 7 HB2 LYS 7 -10.053 7.290 6.733 45 HG2 LYS 7 HG3 LYS 7 -7.861 6.238 8.275 46 HG3 LYS 7 HG2 LYS 7 -7.527 7.886 7.809 47 HD2 LYS 7 HD3 LYS 7 -10.162 7.989 8.580 48 HD3 LYS 7 HD2 LYS 7 -9.444 6.886 9.745 49 HE2 LYS 7 HE3 LYS 7 -8.904 8.876 10.778 50 HE3 LYS 7 HE2 LYS 7 -7.609 8.936 9.615 51 HZ1 LYS 7 HZ1 LYS 7 -8.530 10.932 9.253 52 HZ2 LYS 7 HZ2 LYS 7 -10.036 10.499 9.749 53 HZ3 LYS 7 HZ3 LYS 7 -9.500 10.073 8.228 54 H LYS 8 H LYS 8 -11.096 4.886 7.570 55 HA LYS 8 HA LYS 8 -9.901 3.953 9.910 56 HB2 LYS 8 HB3 LYS 8 -11.992 3.746 10.704 57 HB3 LYS 8 HB2 LYS 8 -12.370 4.726 9.294 58 HG2 LYS 8 HG3 LYS 8 -13.935 3.119 9.090 59 HG3 LYS 8 HG2 LYS 8 -12.662 2.372 8.164 60 HD2 LYS 8 HD3 LYS 8 -13.947 1.335 10.409 61 HD3 LYS 8 HD2 LYS 8 -12.608 0.627 9.525 62 HE2 LYS 8 HE3 LYS 8 -11.073 1.930 10.884 63 HE3 LYS 8 HE2 LYS 8 -12.439 2.523 11.850 64 HZ1 LYS 8 HZ1 LYS 8 -11.140 -0.087 11.864 65 HZ2 LYS 8 HZ2 LYS 8 -12.826 -0.112 11.992 66 HZ3 LYS 8 HZ3 LYS 8 -11.904 0.736 13.129 67 H ILE 9 H ILE 9 -11.275 2.328 7.096 68 HA ILE 9 HA ILE 9 -11.025 -0.312 8.014 69 HB ILE 9 HB ILE 9 -11.201 0.917 5.290 70 HG12 ILE 9 HG13 ILE 9 -12.895 -1.031 6.866 71 HG13 ILE 9 HG12 ILE 9 -13.256 0.663 6.553 72 HG21 ILE 9 HG21 ILE 9 -10.934 -1.130 4.173 73 HG22 ILE 9 HG22 ILE 9 -10.968 -2.051 5.674 74 HG23 ILE 9 HG23 ILE 9 -9.573 -1.044 5.292 75 HD11 ILE 9 HD11 ILE 9 -13.259 0.044 4.093 76 HD12 ILE 9 HD12 ILE 9 -14.600 -0.548 5.073 77 HD13 ILE 9 HD13 ILE 9 -13.283 -1.636 4.634 78 H PHE 10 H PHE 10 -8.843 1.502 6.383 79 HA PHE 10 HA PHE 10 -7.005 -0.625 6.162 80 HB2 PHE 10 HB3 PHE 10 -6.469 0.798 4.506 81 HB3 PHE 10 HB2 PHE 10 -7.161 2.176 5.346 82 HD1 PHE 10 HD1 PHE 10 -4.185 1.176 3.733 83 HD2 PHE 10 HD2 PHE 10 -5.710 3.071 7.151 84 HE1 PHE 10 HE1 PHE 10 -1.903 1.817 4.337 85 HE2 PHE 10 HE2 PHE 10 -3.432 3.719 7.762 86 HZ PHE 10 HZ PHE 10 -1.526 3.090 6.354 87 H VAL 11 H VAL 11 -7.334 1.957 8.381 88 HA VAL 11 HA VAL 11 -4.859 1.944 9.571 89 HB VAL 11 HB VAL 11 -7.551 2.452 10.826 90 HG11 VAL 11 HG11 VAL 11 -6.529 3.292 12.747 91 HG12 VAL 11 HG12 VAL 11 -4.940 3.357 11.988 92 HG13 VAL 11 HG13 VAL 11 -5.644 1.801 12.421 93 HG21 VAL 11 HG21 VAL 11 -7.441 4.378 9.728 94 HG22 VAL 11 HG22 VAL 11 -5.866 3.940 9.064 95 HG23 VAL 11 HG23 VAL 11 -5.968 4.776 10.613 96 H GLN 12 H GLN 12 -7.722 0.144 10.647 97 HA GLN 12 HA GLN 12 -6.047 -1.293 12.651 98 HB2 GLN 12 HB3 GLN 12 -8.188 -2.676 12.953 99 HB3 GLN 12 HB2 GLN 12 -8.250 -1.010 13.387 100 HG2 GLN 12 HG3 GLN 12 -10.004 -0.876 12.038 101 HG3 GLN 12 HG2 GLN 12 -8.984 -1.007 10.738 102 HE21 GLN 12 HE21 GLN 12 -8.238 -3.728 11.360 103 HE22 GLN 12 HE22 GLN 12 -9.628 -4.719 10.967 104 H LYS 13 H LYS 13 -7.720 -1.868 9.760 105 HA LYS 13 HA LYS 13 -7.619 -4.135 8.528 106 HB2 LYS 13 HB3 LYS 13 -8.014 -2.386 7.160 107 HB3 LYS 13 HB2 LYS 13 -6.619 -1.451 7.629 108 HG2 LYS 13 HG3 LYS 13 -6.129 -2.156 5.490 109 HG3 LYS 13 HG2 LYS 13 -5.269 -3.282 6.492 110 HD2 LYS 13 HD3 LYS 13 -6.395 -5.072 5.569 111 HD3 LYS 13 HD2 LYS 13 -7.929 -4.307 5.985 112 HE2 LYS 13 HE3 LYS 13 -7.074 -2.821 3.842 113 HE3 LYS 13 HE2 LYS 13 -6.757 -4.627 3.427 114 HZ1 LYS 13 HZ1 LYS 13 -9.321 -3.915 4.311 115 HZ2 LYS 13 HZ2 LYS 13 -8.720 -5.215 3.464 116 HZ3 LYS 13 HZ3 LYS 13 -8.888 -3.756 2.712 117 H CYS 14 H CYS 14 -4.587 -2.321 8.931 118 HA CYS 14 HA CYS 14 -2.922 -4.416 9.556 119 HB2 CYS 14 HB3 CYS 14 -1.550 -4.854 7.676 120 HB3 CYS 14 HB2 CYS 14 -3.222 -5.519 7.521 121 H ALA 15 H ALA 15 -3.567 -1.309 9.522 122 HA ALA 15 HA ALA 15 -1.332 0.073 8.620 123 HB1 ALA 15 HB1 ALA 15 -2.732 0.788 11.201 124 HB2 ALA 15 HB2 ALA 15 -3.516 0.945 9.590 125 HB3 ALA 15 HB3 ALA 15 -2.038 1.839 9.939 126 H GLN 16 H GLN 16 -1.453 -2.170 11.589 127 HA GLN 16 HA GLN 16 0.806 -1.202 12.945 128 HB2 GLN 16 HB3 GLN 16 0.470 -4.119 12.913 129 HB3 GLN 16 HB2 GLN 16 0.540 -2.995 14.264 130 HG2 GLN 16 HG3 GLN 16 -1.854 -2.335 13.608 131 HG3 GLN 16 HG2 GLN 16 -1.855 -3.749 12.603 132 HE21 GLN 16 HE21 GLN 16 -0.669 -3.038 15.841 133 HE22 GLN 16 HE22 GLN 16 -1.531 -4.322 16.649 134 H CYS 17 H CYS 17 0.566 -3.382 10.203 135 HA CYS 17 HA CYS 17 3.386 -4.070 10.178 136 HB2 CYS 17 HB3 CYS 17 1.556 -4.353 7.849 137 HB3 CYS 17 HB2 CYS 17 2.945 -5.334 8.278 138 H HIS 18 H HIS 18 1.482 -1.472 9.019 139 HA HIS 18 HA HIS 18 3.700 -0.588 7.308 140 HB2 HIS 18 HB3 HIS 18 0.804 0.271 7.215 141 HB3 HIS 18 HB2 HIS 18 2.076 0.785 6.112 142 HD1 HIS 18 HD1 HIS 18 1.804 -0.325 3.957 143 HD2 HIS 18 HD2 HIS 18 0.822 -2.832 7.089 144 HE1 HIS 18 HE1 HIS 18 1.187 -2.551 2.892 145 H THR 19 H THR 19 3.188 -0.305 10.292 146 HA THR 19 HA THR 19 3.336 1.297 11.943 147 HB THR 19 HB THR 19 4.844 2.815 9.791 148 HG1 THR 19 HG1 THR 19 6.650 1.686 10.534 149 HG21 THR 19 HG21 THR 19 5.277 2.882 12.763 150 HG22 THR 19 HG22 THR 19 4.366 4.073 11.851 151 HG23 THR 19 HG23 THR 19 6.080 3.828 11.519 152 H VAL 20 H VAL 20 2.689 3.436 12.681 153 HA VAL 20 HA VAL 20 0.295 4.357 11.313 154 HB VAL 20 HB VAL 20 1.427 5.606 13.772 155 HG11 VAL 20 HG11 VAL 20 -0.730 6.320 12.483 156 HG12 VAL 20 HG12 VAL 20 -0.789 6.225 14.203 157 HG13 VAL 20 HG13 VAL 20 -1.432 4.891 13.266 158 HG21 VAL 20 HG21 VAL 20 0.379 3.942 15.134 159 HG22 VAL 20 HG22 VAL 20 1.578 3.185 14.127 160 HG23 VAL 20 HG23 VAL 20 -0.139 3.031 13.750 161 H GLU 21 H GLU 21 0.848 7.034 12.676 162 HA GLU 21 HA GLU 21 1.611 8.437 10.375 163 HB2 GLU 21 HB3 GLU 21 1.947 10.000 12.793 164 HB3 GLU 21 HB2 GLU 21 0.814 10.224 11.461 165 HG2 GLU 21 HG3 GLU 21 -0.673 8.546 12.514 166 HG3 GLU 21 HG2 GLU 21 0.516 8.339 13.828 167 H LYS 22 H LYS 22 3.465 9.562 9.836 168 HA LYS 22 HA LYS 22 5.939 8.388 10.358 169 HB2 LYS 22 HB3 LYS 22 5.272 10.089 8.500 170 HB3 LYS 22 HB2 LYS 22 5.696 11.326 9.675 171 HG2 LYS 22 HG3 LYS 22 7.468 9.230 8.511 172 HG3 LYS 22 HG2 LYS 22 7.574 10.985 8.259 173 HD2 LYS 22 HD3 LYS 22 8.040 9.494 10.830 174 HD3 LYS 22 HD2 LYS 22 9.281 10.226 9.833 175 HE2 LYS 22 HE3 LYS 22 8.363 12.421 10.301 176 HE3 LYS 22 HE2 LYS 22 6.963 11.714 11.151 177 HZ1 LYS 22 HZ1 LYS 22 9.455 12.451 12.190 178 HZ2 LYS 22 HZ2 LYS 22 9.342 10.765 12.337 179 HZ3 LYS 22 HZ3 LYS 22 8.165 11.775 13.010 180 H GLY 23 H GLY 23 7.158 8.293 12.063 181 HA2 GLY 23 HA3 GLY 23 8.323 10.163 13.553 182 HA3 GLY 23 HA2 GLY 23 6.690 10.193 14.241 183 H GLY 24 H GLY 24 6.219 7.356 13.837 184 HA2 GLY 24 HA3 GLY 24 7.376 6.400 16.300 185 HA3 GLY 24 HA2 GLY 24 6.274 5.539 15.272 186 H LYS 25 H LYS 25 7.160 3.624 14.795 187 HA LYS 25 HA LYS 25 10.053 3.637 14.066 188 HB2 LYS 25 HB3 LYS 25 8.836 0.990 14.505 189 HB3 LYS 25 HB2 LYS 25 10.297 1.729 15.254 190 HG2 LYS 25 HG3 LYS 25 9.158 2.432 17.067 191 HG3 LYS 25 HG2 LYS 25 7.656 2.685 16.193 192 HD2 LYS 25 HD3 LYS 25 8.823 0.070 17.029 193 HD3 LYS 25 HD2 LYS 25 7.440 0.844 17.764 194 HE2 LYS 25 HE3 LYS 25 6.112 -0.131 16.241 195 HE3 LYS 25 HE2 LYS 25 7.021 0.613 14.906 196 HZ1 LYS 25 HZ1 LYS 25 7.071 -2.070 15.902 197 HZ2 LYS 25 HZ2 LYS 25 8.583 -1.456 15.722 198 HZ3 LYS 25 HZ3 LYS 25 7.549 -1.491 14.386 199 H HIS 26 H HIS 26 10.721 2.221 12.328 200 HA HIS 26 HA HIS 26 9.120 2.572 10.005 201 HB2 HIS 26 HB3 HIS 26 11.038 0.452 9.625 202 HB3 HIS 26 HB2 HIS 26 11.096 2.088 9.034 203 HD1 HIS 26 HD1 HIS 26 11.774 0.407 12.351 204 HD2 HIS 26 HD2 HIS 26 13.366 3.309 9.873 205 HE1 HIS 26 HE1 HIS 26 13.868 1.180 13.467 206 HE2 HIS 26 HE2 HIS 26 14.778 3.021 12.020 207 H LYS 27 H LYS 27 7.841 1.170 8.889 208 HA LYS 27 HA LYS 27 6.752 -1.070 10.376 209 HB2 LYS 27 HB3 LYS 27 4.908 -0.911 8.983 210 HB3 LYS 27 HB2 LYS 27 5.504 0.705 8.943 211 HG2 LYS 27 HG3 LYS 27 6.856 -0.531 6.845 212 HG3 LYS 27 HG2 LYS 27 5.232 -1.203 6.828 213 HD2 LYS 27 HD3 LYS 27 5.701 0.956 5.504 214 HD3 LYS 27 HD2 LYS 27 4.236 0.874 6.487 215 HE2 LYS 27 HE3 LYS 27 4.905 2.583 7.742 216 HE3 LYS 27 HE2 LYS 27 6.458 1.830 7.998 217 HZ1 LYS 27 HZ1 LYS 27 7.268 2.868 6.019 218 HZ2 LYS 27 HZ2 LYS 27 6.438 4.085 6.850 219 HZ3 LYS 27 HZ3 LYS 27 5.711 3.292 5.531 220 H THR 28 H THR 28 6.162 -3.080 8.950 221 HA THR 28 HA THR 28 8.588 -4.285 8.141 222 HB THR 28 HB THR 28 5.936 -5.447 7.348 223 HG1 THR 28 HG1 THR 28 6.770 -5.541 10.003 224 HG21 THR 28 HG21 THR 28 6.883 -7.541 7.878 225 HG22 THR 28 HG22 THR 28 8.078 -6.769 8.995 226 HG23 THR 28 HG23 THR 28 8.264 -6.628 7.236 227 H GLY 29 H GLY 29 5.808 -2.925 6.392 228 HA2 GLY 29 HA3 GLY 29 7.427 -3.031 3.933 229 HA3 GLY 29 HA2 GLY 29 5.790 -3.553 3.919 230 HA PRO 30 HA PRO 30 6.683 1.232 3.226 231 HB2 PRO 30 HB3 PRO 30 5.600 0.331 0.577 232 HB3 PRO 30 HB2 PRO 30 6.755 1.643 0.925 233 HG2 PRO 30 HG3 PRO 30 7.613 -0.695 0.017 234 HG3 PRO 30 HG2 PRO 30 8.547 0.209 1.239 235 HD2 PRO 30 HD3 PRO 30 6.931 -2.307 1.544 236 HD3 PRO 30 HD2 PRO 30 8.333 -1.706 2.476 237 H ASN 31 H ASN 31 5.046 2.306 4.134 238 HA ASN 31 HA ASN 31 2.468 1.318 4.525 239 HB2 ASN 31 HB3 ASN 31 3.752 3.411 5.534 240 HB3 ASN 31 HB2 ASN 31 2.840 4.282 4.300 241 HD21 ASN 31 HD21 ASN 31 2.128 5.170 6.547 242 HD22 ASN 31 HD22 ASN 31 0.681 4.430 7.218 243 H LEU 32 H LEU 32 3.398 3.950 2.253 244 HA LEU 32 HA LEU 32 1.917 2.889 0.151 245 HB2 LEU 32 HB3 LEU 32 0.020 4.398 -0.112 246 HB3 LEU 32 HB2 LEU 32 -0.016 3.438 1.357 247 HG LEU 32 HG LEU 32 -1.066 5.567 1.920 248 HD11 LEU 32 HD11 LEU 32 1.598 5.195 2.861 249 HD12 LEU 32 HD12 LEU 32 0.171 4.514 3.640 250 HD13 LEU 32 HD13 LEU 32 0.438 6.256 3.661 251 HD21 LEU 32 HD21 LEU 32 -0.293 7.529 1.158 252 HD22 LEU 32 HD22 LEU 32 0.377 6.453 -0.068 253 HD23 LEU 32 HD23 LEU 32 1.368 6.971 1.302 254 H HIS 33 H HIS 33 3.421 5.599 1.686 255 HA HIS 33 HA HIS 33 3.527 7.586 -0.207 256 HB2 HIS 33 HB3 HIS 33 4.822 7.059 2.240 257 HB3 HIS 33 HB2 HIS 33 6.123 7.251 1.070 258 HD1 HIS 33 HD1 HIS 33 6.748 9.511 2.230 259 HD2 HIS 33 HD2 HIS 33 2.998 9.464 0.487 260 HE1 HIS 33 HE1 HIS 33 6.032 11.920 2.145 261 HE2 HIS 33 HE2 HIS 33 3.675 11.853 1.157 262 H GLY 34 H GLY 34 4.274 7.687 -2.187 263 HA2 GLY 34 HA3 GLY 34 5.591 7.330 -4.069 264 HA3 GLY 34 HA2 GLY 34 6.743 6.508 -2.995 265 H LEU 35 H LEU 35 3.518 5.324 -2.823 266 HA LEU 35 HA LEU 35 4.259 2.743 -3.657 267 HB2 LEU 35 HB3 LEU 35 2.320 3.290 -2.187 268 HB3 LEU 35 HB2 LEU 35 1.489 3.921 -3.596 269 HG LEU 35 HG LEU 35 1.419 1.752 -4.612 270 HD11 LEU 35 HD11 LEU 35 2.553 -0.124 -3.900 271 HD12 LEU 35 HD12 LEU 35 2.396 0.355 -2.186 272 HD13 LEU 35 HD13 LEU 35 3.604 1.149 -3.237 273 HD21 LEU 35 HD21 LEU 35 0.354 2.039 -1.797 274 HD22 LEU 35 HD22 LEU 35 0.066 0.575 -2.679 275 HD23 LEU 35 HD23 LEU 35 -0.540 2.096 -3.341 276 H PHE 36 H PHE 36 2.445 5.266 -5.399 277 HA PHE 36 HA PHE 36 2.842 3.754 -7.870 278 HB2 PHE 36 HB3 PHE 36 0.916 6.059 -7.786 279 HB3 PHE 36 HB2 PHE 36 0.806 4.526 -8.646 280 HD1 PHE 36 HD1 PHE 36 -0.281 2.632 -7.708 281 HD2 PHE 36 HD2 PHE 36 0.273 6.197 -5.389 282 HE1 PHE 36 HE1 PHE 36 -1.808 1.742 -6.015 283 HE2 PHE 36 HE2 PHE 36 -1.245 5.352 -3.706 284 HZ PHE 36 HZ PHE 36 -2.332 3.137 -3.966 285 H GLY 37 H GLY 37 4.583 5.815 -6.337 286 HA2 GLY 37 HA3 GLY 37 5.128 7.501 -8.704 287 HA3 GLY 37 HA2 GLY 37 5.215 8.100 -7.078 288 H ARG 38 H ARG 38 6.458 5.793 -5.899 289 HA ARG 38 HA ARG 38 9.161 6.225 -6.840 290 HB2 ARG 38 HB3 ARG 38 8.050 4.839 -4.424 291 HB3 ARG 38 HB2 ARG 38 9.778 4.959 -4.799 292 HG2 ARG 38 HG3 ARG 38 9.484 7.482 -4.824 293 HG3 ARG 38 HG2 ARG 38 7.923 7.151 -4.064 294 HD2 ARG 38 HD3 ARG 38 8.876 6.900 -2.075 295 HD3 ARG 38 HD2 ARG 38 9.986 5.659 -2.710 296 HE ARG 38 HE ARG 38 11.597 7.208 -2.436 297 HH11 ARG 38 HH11 ARG 38 8.661 8.853 -3.482 298 HH12 ARG 38 HH12 ARG 38 9.394 10.405 -3.547 299 HH21 ARG 38 HH21 ARG 38 12.586 9.303 -2.565 300 HH22 ARG 38 HH22 ARG 38 11.609 10.664 -3.026 301 H LYS 39 H LYS 39 10.665 4.292 -6.828 302 HA LYS 39 HA LYS 39 9.909 2.556 -8.860 303 HB2 LYS 39 HB3 LYS 39 12.225 3.002 -8.246 304 HB3 LYS 39 HB2 LYS 39 11.992 2.054 -6.746 305 HG2 LYS 39 HG3 LYS 39 12.976 1.075 -9.089 306 HG3 LYS 39 HG2 LYS 39 12.294 0.115 -7.786 307 HD2 LYS 39 HD3 LYS 39 11.326 -0.485 -9.945 308 HD3 LYS 39 HD2 LYS 39 10.078 0.235 -8.866 309 HE2 LYS 39 HE3 LYS 39 10.710 2.440 -10.063 310 HE3 LYS 39 HE2 LYS 39 11.486 1.427 -11.277 311 HZ1 LYS 39 HZ1 LYS 39 9.515 0.684 -12.016 312 HZ2 LYS 39 HZ2 LYS 39 8.961 2.147 -11.443 313 HZ3 LYS 39 HZ3 LYS 39 8.757 0.771 -10.505 314 H THR 40 H THR 40 11.009 0.890 -6.013 315 HA THR 40 HA THR 40 8.403 -0.018 -5.191 316 HB THR 40 HB THR 40 8.902 -2.286 -4.964 317 HG1 THR 40 HG1 THR 40 10.382 -3.481 -5.868 318 HG21 THR 40 HG21 THR 40 8.580 -2.044 -7.715 319 HG22 THR 40 HG22 THR 40 8.866 -2.881 -6.504 320 HG23 THR 40 HG23 THR 40 7.475 -2.899 -6.201 321 H GLY 41 H GLY 41 8.307 0.345 -3.426 322 HA2 GLY 41 HA3 GLY 41 8.824 0.345 -1.181 323 HA3 GLY 41 HA2 GLY 41 9.461 -1.229 -1.456 324 H GLN 42 H GLN 42 10.687 1.785 -2.837 325 HA GLN 42 HA GLN 42 13.235 1.214 -1.476 326 HB2 GLN 42 HB3 GLN 42 13.773 3.265 -3.216 327 HB3 GLN 42 HB2 GLN 42 14.022 1.597 -3.576 328 HG2 GLN 42 HG3 GLN 42 12.758 2.764 -5.332 329 HG3 GLN 42 HG2 GLN 42 11.879 1.414 -4.640 330 HE21 GLN 42 HE21 GLN 42 9.792 1.953 -4.677 331 HE22 GLN 42 HE22 GLN 42 9.116 3.456 -4.159 332 H ALA 43 H ALA 43 11.316 2.294 0.171 333 HA ALA 43 HA ALA 43 11.155 5.029 0.434 334 HB1 ALA 43 HB1 ALA 43 11.243 4.107 3.025 335 HB2 ALA 43 HB2 ALA 43 10.690 2.755 2.130 336 HB3 ALA 43 HB3 ALA 43 9.814 4.235 1.994 337 HA PRO 44 HA PRO 44 14.980 6.498 1.997 338 HB2 PRO 44 HB3 PRO 44 14.383 8.115 4.002 339 HB3 PRO 44 HB2 PRO 44 13.889 8.485 2.356 340 HG2 PRO 44 HG3 PRO 44 12.270 7.325 4.607 341 HG3 PRO 44 HG2 PRO 44 11.821 8.542 3.417 342 HD2 PRO 44 HD3 PRO 44 11.130 5.874 3.263 343 HD3 PRO 44 HD2 PRO 44 11.253 6.962 1.867 344 H GLY 45 H GLY 45 14.069 6.997 5.206 345 HA2 GLY 45 HA3 GLY 45 16.099 5.274 6.218 346 HA3 GLY 45 HA2 GLY 45 14.959 6.222 7.156 347 H PHE 46 H PHE 46 13.289 4.400 4.967 348 HA PHE 46 HA PHE 46 12.330 2.597 7.013 349 HB2 PHE 46 HB3 PHE 46 10.760 3.644 5.453 350 HB3 PHE 46 HB2 PHE 46 11.523 2.854 4.071 351 HD1 PHE 46 HD1 PHE 46 9.709 2.124 7.258 352 HD2 PHE 46 HD2 PHE 46 10.882 0.761 3.381 353 HE1 PHE 46 HE1 PHE 46 8.279 0.154 7.523 354 HE2 PHE 46 HE2 PHE 46 9.455 -1.211 3.638 355 HZ PHE 46 HZ PHE 46 8.135 -1.521 5.723 356 H THR 47 H THR 47 12.750 0.437 7.191 357 HA THR 47 HA THR 47 14.973 -0.604 5.641 358 HB THR 47 HB THR 47 14.026 -1.004 8.207 359 HG1 THR 47 HG1 THR 47 15.686 -2.527 8.292 360 HG21 THR 47 HG21 THR 47 13.651 -3.482 8.329 361 HG22 THR 47 HG22 THR 47 13.408 -3.453 6.588 362 HG23 THR 47 HG23 THR 47 12.301 -2.551 7.641 363 H TYR 48 H TYR 48 14.415 -1.106 3.602 364 HA TYR 48 HA TYR 48 11.904 -2.231 2.849 365 HB2 TYR 48 HB3 TYR 48 13.860 -2.756 0.839 366 HB3 TYR 48 HB2 TYR 48 12.564 -1.541 0.892 367 HD1 TYR 48 HD1 TYR 48 16.030 -2.133 2.187 368 HD2 TYR 48 HD2 TYR 48 13.219 0.695 0.748 369 HE1 TYR 48 HE1 TYR 48 17.744 -0.406 2.358 370 HE2 TYR 48 HE2 TYR 48 14.905 2.474 0.900 371 HH TYR 48 HH TYR 48 17.999 1.903 2.390 372 H THR 49 H THR 49 11.653 -4.277 1.759 373 HA THR 49 HA THR 49 12.880 -6.438 3.188 374 HB THR 49 HB THR 49 11.305 -7.864 2.089 375 HG1 THR 49 HG1 THR 49 9.870 -6.799 0.526 376 HG21 THR 49 HG21 THR 49 9.376 -5.704 2.285 377 HG22 THR 49 HG22 THR 49 10.508 -5.720 3.637 378 HG23 THR 49 HG23 THR 49 9.563 -7.125 3.258 379 H ASP 50 H ASP 50 13.546 -8.408 1.829 380 HA ASP 50 HA ASP 50 15.817 -7.772 0.381 381 HB2 ASP 50 HB3 ASP 50 15.874 -9.965 1.051 382 HB3 ASP 50 HB2 ASP 50 14.183 -10.216 0.632 383 H ALA 51 H ALA 51 12.520 -8.234 -0.712 384 HA ALA 51 HA ALA 51 13.120 -8.171 -3.498 385 HB1 ALA 51 HB1 ALA 51 10.996 -8.781 -3.585 386 HB2 ALA 51 HB2 ALA 51 10.441 -7.248 -2.949 387 HB3 ALA 51 HB3 ALA 51 10.839 -8.588 -1.855 388 H ASN 52 H ASN 52 12.021 -5.733 -1.139 389 HA ASN 52 HA ASN 52 11.723 -3.619 -2.957 390 HB2 ASN 52 HB3 ASN 52 12.444 -3.517 -0.031 391 HB3 ASN 52 HB2 ASN 52 11.922 -2.167 -0.974 392 HD21 ASN 52 HD21 ASN 52 10.137 -4.193 -2.465 393 HD22 ASN 52 HD22 ASN 52 8.758 -4.257 -1.463 394 H LYS 53 H LYS 53 14.488 -4.597 -1.037 395 HA LYS 53 HA LYS 53 16.247 -2.596 -1.742 396 HB2 LYS 53 HB3 LYS 53 18.038 -4.242 -1.197 397 HB3 LYS 53 HB2 LYS 53 16.864 -3.981 0.030 398 HG2 LYS 53 HG3 LYS 53 15.731 -5.997 -0.411 399 HG3 LYS 53 HG2 LYS 53 16.704 -6.281 -1.849 400 HD2 LYS 53 HD3 LYS 53 17.843 -7.627 -0.429 401 HD3 LYS 53 HD2 LYS 53 18.695 -6.114 -0.177 402 HE2 LYS 53 HE3 LYS 53 18.178 -6.189 1.978 403 HE3 LYS 53 HE2 LYS 53 16.502 -6.076 1.536 404 HZ1 LYS 53 HZ1 LYS 53 17.996 -8.328 2.513 405 HZ2 LYS 53 HZ2 LYS 53 17.160 -8.661 1.083 406 HZ3 LYS 53 HZ3 LYS 53 16.296 -8.072 2.459 407 H ASN 54 H ASN 54 15.275 -5.453 -3.425 408 HA ASN 54 HA ASN 54 17.325 -5.303 -5.420 409 HB2 ASN 54 HB3 ASN 54 14.687 -6.788 -5.414 410 HB3 ASN 54 HB2 ASN 54 15.975 -7.061 -6.573 411 HD21 ASN 54 HD21 ASN 54 17.316 -6.334 -3.666 412 HD22 ASN 54 HD22 ASN 54 17.617 -7.920 -3.056 413 H LYS 55 H LYS 55 14.367 -3.702 -4.847 414 HA LYS 55 HA LYS 55 13.344 -1.998 -5.966 415 HB2 LYS 55 HB3 LYS 55 15.642 -2.453 -7.857 416 HB3 LYS 55 HB2 LYS 55 14.377 -1.284 -8.202 417 HG2 LYS 55 HG3 LYS 55 15.189 0.192 -6.725 418 HG3 LYS 55 HG2 LYS 55 15.513 -1.062 -5.514 419 HD2 LYS 55 HD3 LYS 55 17.255 -0.243 -7.843 420 HD3 LYS 55 HD2 LYS 55 17.654 -0.185 -6.145 421 HE2 LYS 55 HE3 LYS 55 17.234 -2.728 -6.261 422 HE3 LYS 55 HE2 LYS 55 17.552 -2.426 -7.991 423 HZ1 LYS 55 HZ1 LYS 55 19.605 -2.982 -7.097 424 HZ2 LYS 55 HZ2 LYS 55 19.364 -2.011 -5.703 425 HZ3 LYS 55 HZ3 LYS 55 19.652 -1.287 -7.240 426 H GLY 56 H GLY 56 11.911 -4.038 -5.990 427 HA2 GLY 56 HA3 GLY 56 11.487 -5.510 -8.300 428 HA3 GLY 56 HA2 GLY 56 10.233 -5.109 -7.143 429 H ILE 57 H ILE 57 8.658 -3.732 -7.781 430 HA ILE 57 HA ILE 57 9.130 -1.866 -9.953 431 HB ILE 57 HB ILE 57 8.004 -4.301 -10.586 432 HG12 ILE 57 HG13 ILE 57 8.851 -3.167 -12.310 433 HG13 ILE 57 HG12 ILE 57 7.184 -2.805 -12.624 434 HG21 ILE 57 HG21 ILE 57 5.891 -3.945 -9.577 435 HG22 ILE 57 HG22 ILE 57 5.675 -3.540 -11.264 436 HG23 ILE 57 HG23 ILE 57 5.860 -2.269 -10.099 437 HD11 ILE 57 HD11 ILE 57 7.385 -0.613 -12.023 438 HD12 ILE 57 HD12 ILE 57 9.073 -0.936 -12.576 439 HD13 ILE 57 HD13 ILE 57 8.659 -0.962 -10.859 440 H THR 58 H THR 58 7.174 -0.483 -10.387 441 HA THR 58 HA THR 58 6.264 0.564 -7.869 442 HB THR 58 HB THR 58 6.743 1.589 -10.406 443 HG1 THR 58 HG1 THR 58 6.226 3.524 -9.386 444 HG21 THR 58 HG21 THR 58 4.351 1.052 -10.964 445 HG22 THR 58 HG22 THR 58 4.755 2.783 -11.009 446 HG23 THR 58 HG23 THR 58 3.895 2.123 -9.588 447 H TRP 59 H TRP 59 4.625 -0.208 -6.850 448 HA TRP 59 HA TRP 59 2.648 -1.869 -7.985 449 HB2 TRP 59 HB3 TRP 59 1.992 -0.540 -5.418 450 HB3 TRP 59 HB2 TRP 59 1.984 -2.235 -5.855 451 HD1 TRP 59 HD1 TRP 59 4.404 0.534 -4.831 452 HE1 TRP 59 HE1 TRP 59 6.474 -0.583 -3.691 453 HE3 TRP 59 HE3 TRP 59 3.255 -4.384 -5.628 454 HZ2 TRP 59 HZ2 TRP 59 7.427 -3.178 -3.211 455 HZ3 TRP 59 HZ3 TRP 59 4.769 -6.123 -4.784 456 HH2 TRP 59 HH2 TRP 59 6.831 -5.515 -3.640 457 H LYS 60 H LYS 60 1.258 -1.237 -9.464 458 HA LYS 60 HA LYS 60 0.044 1.429 -9.115 459 HB2 LYS 60 HB3 LYS 60 0.376 1.572 -11.358 460 HB3 LYS 60 HB2 LYS 60 0.975 -0.068 -11.370 461 HG2 LYS 60 HG3 LYS 60 -0.759 -0.398 -12.774 462 HG3 LYS 60 HG2 LYS 60 -1.678 -0.510 -11.295 463 HD2 LYS 60 HD3 LYS 60 -2.761 1.362 -11.643 464 HD3 LYS 60 HD2 LYS 60 -1.325 2.241 -12.149 465 HE2 LYS 60 HE3 LYS 60 -1.956 0.313 -14.182 466 HE3 LYS 60 HE2 LYS 60 -3.457 1.202 -13.775 467 HZ1 LYS 60 HZ1 LYS 60 -1.527 2.038 -15.450 468 HZ2 LYS 60 HZ2 LYS 60 -1.133 2.895 -14.061 469 HZ3 LYS 60 HZ3 LYS 60 -2.701 3.023 -14.731 470 H GLU 61 H GLU 61 -2.312 1.466 -9.976 471 HA GLU 61 HA GLU 61 -3.901 -0.034 -8.260 472 HB2 GLU 61 HB3 GLU 61 -4.239 2.188 -9.889 473 HB3 GLU 61 HB2 GLU 61 -5.306 0.958 -10.557 474 HG2 GLU 61 HG3 GLU 61 -5.602 0.931 -7.725 475 HG3 GLU 61 HG2 GLU 61 -5.778 2.583 -8.344 476 H GLU 62 H GLU 62 -3.646 -0.232 -11.786 477 HA GLU 62 HA GLU 62 -5.249 -2.523 -12.049 478 HB2 GLU 62 HB3 GLU 62 -4.764 -2.494 -14.281 479 HB3 GLU 62 HB2 GLU 62 -4.411 -0.822 -13.846 480 HG2 GLU 62 HG3 GLU 62 -2.028 -1.445 -13.599 481 HG3 GLU 62 HG2 GLU 62 -2.415 -3.070 -14.235 482 H THR 63 H THR 63 -1.758 -2.161 -11.823 483 HA THR 63 HA THR 63 -1.101 -4.886 -12.182 484 HB THR 63 HB THR 63 0.292 -2.442 -11.684 485 HG1 THR 63 HG1 THR 63 1.601 -3.530 -12.900 486 HG21 THR 63 HG21 THR 63 1.781 -2.820 -9.994 487 HG22 THR 63 HG22 THR 63 1.478 -4.544 -9.900 488 HG23 THR 63 HG23 THR 63 0.257 -3.414 -9.251 489 H LEU 64 H LEU 64 -2.181 -3.080 -9.411 490 HA LEU 64 HA LEU 64 -1.475 -5.011 -7.444 491 HB2 LEU 64 HB3 LEU 64 -2.921 -2.447 -7.581 492 HB3 LEU 64 HB2 LEU 64 -3.636 -3.613 -6.426 493 HG LEU 64 HG LEU 64 -0.777 -2.580 -6.431 494 HD11 LEU 64 HD11 LEU 64 -1.837 -0.873 -5.473 495 HD12 LEU 64 HD12 LEU 64 -1.781 -1.891 -4.075 496 HD13 LEU 64 HD13 LEU 64 -3.262 -1.837 -5.006 497 HD21 LEU 64 HD21 LEU 64 -0.495 -3.881 -4.386 498 HD22 LEU 64 HD22 LEU 64 -0.971 -4.963 -5.704 499 HD23 LEU 64 HD23 LEU 64 -2.161 -4.435 -4.484 500 H MET 65 H MET 65 -4.264 -4.466 -9.498 501 HA MET 65 HA MET 65 -6.096 -6.162 -8.199 502 HB2 MET 65 HB3 MET 65 -5.820 -5.309 -11.074 503 HB3 MET 65 HB2 MET 65 -7.144 -6.367 -10.492 504 HG2 MET 65 HG3 MET 65 -6.535 -3.518 -9.740 505 HG3 MET 65 HG2 MET 65 -7.945 -4.117 -10.561 506 HE1 MET 65 HE1 MET 65 -6.427 -3.080 -7.363 507 HE2 MET 65 HE2 MET 65 -6.007 -4.733 -7.080 508 HE3 MET 65 HE3 MET 65 -7.241 -3.985 -6.113 509 H GLU 66 H GLU 66 -3.693 -6.815 -10.683 510 HA GLU 66 HA GLU 66 -4.352 -9.597 -10.883 511 HB2 GLU 66 HB3 GLU 66 -2.121 -9.632 -12.189 512 HB3 GLU 66 HB2 GLU 66 -3.482 -8.767 -12.853 513 HG2 GLU 66 HG3 GLU 66 -2.557 -6.631 -12.107 514 HG3 GLU 66 HG2 GLU 66 -1.244 -7.499 -11.302 515 H TYR 67 H TYR 67 -1.938 -7.607 -9.231 516 HA TYR 67 HA TYR 67 -0.239 -9.655 -8.336 517 HB2 TYR 67 HB3 TYR 67 0.758 -7.656 -8.020 518 HB3 TYR 67 HB2 TYR 67 -0.723 -6.846 -7.645 519 HD1 TYR 67 HD1 TYR 67 2.114 -8.608 -6.315 520 HD2 TYR 67 HD2 TYR 67 -1.655 -6.965 -5.354 521 HE1 TYR 67 HE1 TYR 67 2.702 -8.695 -3.929 522 HE2 TYR 67 HE2 TYR 67 -1.041 -7.026 -2.950 523 HH TYR 67 HH TYR 67 0.720 -7.200 -1.517 524 H LEU 68 H LEU 68 -3.337 -8.664 -7.339 525 HA LEU 68 HA LEU 68 -3.337 -9.554 -4.649 526 HB2 LEU 68 HB3 LEU 68 -5.514 -9.181 -6.679 527 HB3 LEU 68 HB2 LEU 68 -5.869 -9.849 -5.130 528 HG LEU 68 HG LEU 68 -4.577 -7.167 -5.518 529 HD11 LEU 68 HD11 LEU 68 -6.666 -6.173 -5.110 530 HD12 LEU 68 HD12 LEU 68 -7.437 -7.720 -4.805 531 HD13 LEU 68 HD13 LEU 68 -6.909 -7.339 -6.414 532 HD21 LEU 68 HD21 LEU 68 -4.051 -8.130 -3.368 533 HD22 LEU 68 HD22 LEU 68 -5.761 -8.490 -3.116 534 HD23 LEU 68 HD23 LEU 68 -5.191 -6.795 -3.172 535 H GLU 69 H GLU 69 -3.211 -11.254 -7.578 536 HA GLU 69 HA GLU 69 -4.560 -13.631 -6.873 537 HB2 GLU 69 HB3 GLU 69 -3.184 -12.741 -9.081 538 HB3 GLU 69 HB2 GLU 69 -2.146 -14.037 -8.498 539 HG2 GLU 69 HG3 GLU 69 -4.000 -15.557 -8.616 540 HG3 GLU 69 HG2 GLU 69 -5.042 -14.294 -9.168 541 H ASN 70 H ASN 70 -1.057 -13.563 -7.214 542 HA ASN 70 HA ASN 70 -0.857 -15.125 -4.742 543 HB2 ASN 70 HB3 ASN 70 0.547 -15.401 -7.331 544 HB3 ASN 70 HB2 ASN 70 1.369 -15.920 -5.897 545 HD21 ASN 70 HD21 ASN 70 -0.972 -16.664 -8.221 546 HD22 ASN 70 HD22 ASN 70 -1.513 -18.183 -7.547 547 HA PRO 71 HA PRO 71 1.169 -11.153 -3.684 548 HB2 PRO 71 HB3 PRO 71 1.144 -12.651 -1.105 549 HB3 PRO 71 HB2 PRO 71 0.763 -10.943 -1.417 550 HG2 PRO 71 HG3 PRO 71 -1.149 -12.776 -1.002 551 HG3 PRO 71 HG2 PRO 71 -1.372 -11.488 -2.248 552 HD2 PRO 71 HD3 PRO 71 -0.740 -14.387 -2.615 553 HD3 PRO 71 HD2 PRO 71 -1.708 -13.274 -3.615 554 H LYS 72 H LYS 72 2.113 -14.481 -2.944 555 HA LYS 72 HA LYS 72 4.839 -13.773 -2.291 556 HB2 LYS 72 HB3 LYS 72 4.820 -15.801 -1.362 557 HB3 LYS 72 HB2 LYS 72 3.164 -16.039 -1.941 558 HG2 LYS 72 HG3 LYS 72 4.160 -17.839 -2.869 559 HG3 LYS 72 HG2 LYS 72 4.368 -16.674 -4.149 560 HD2 LYS 72 HD3 LYS 72 6.525 -16.458 -2.389 561 HD3 LYS 72 HD2 LYS 72 6.355 -18.151 -2.781 562 HE2 LYS 72 HE3 LYS 72 6.000 -16.698 -5.170 563 HE3 LYS 72 HE2 LYS 72 7.436 -16.010 -4.373 564 HZ1 LYS 72 HZ1 LYS 72 8.400 -18.211 -4.241 565 HZ2 LYS 72 HZ2 LYS 72 8.034 -17.851 -5.824 566 HZ3 LYS 72 HZ3 LYS 72 7.036 -18.903 -4.956 567 H LYS 73 H LYS 73 3.041 -14.584 -5.142 568 HA LYS 73 HA LYS 73 5.170 -15.514 -6.740 569 HB2 LYS 73 HB3 LYS 73 3.670 -15.586 -8.487 570 HB3 LYS 73 HB2 LYS 73 2.613 -15.700 -7.101 571 HG2 LYS 73 HG3 LYS 73 1.506 -14.057 -8.187 572 HG3 LYS 73 HG2 LYS 73 2.677 -13.047 -7.384 573 HD2 LYS 73 HD3 LYS 73 2.312 -12.736 -9.930 574 HD3 LYS 73 HD2 LYS 73 3.952 -12.806 -9.336 575 HE2 LYS 73 HE3 LYS 73 3.428 -14.171 -11.402 576 HE3 LYS 73 HE2 LYS 73 4.171 -15.044 -10.069 577 HZ1 LYS 73 HZ1 LYS 73 1.857 -15.679 -9.413 578 HZ2 LYS 73 HZ2 LYS 73 2.451 -16.422 -10.837 579 HZ3 LYS 73 HZ3 LYS 73 1.369 -15.104 -10.929 580 H TYR 74 H TYR 74 3.952 -12.362 -5.935 581 HA TYR 74 HA TYR 74 5.435 -11.005 -7.990 582 HB2 TYR 74 HB3 TYR 74 3.493 -10.246 -5.865 583 HB3 TYR 74 HB2 TYR 74 4.725 -9.019 -6.312 584 HD1 TYR 74 HD1 TYR 74 2.178 -11.303 -7.829 585 HD2 TYR 74 HD2 TYR 74 4.380 -7.660 -8.146 586 HE1 TYR 74 HE1 TYR 74 0.853 -10.645 -9.813 587 HE2 TYR 74 HE2 TYR 74 3.051 -7.034 -10.109 588 HH TYR 74 HH TYR 74 0.741 -9.251 -11.609 589 H ILE 75 H ILE 75 5.644 -11.430 -4.446 590 HA ILE 75 HA ILE 75 8.456 -10.616 -4.628 591 HB ILE 75 HB ILE 75 6.500 -9.677 -2.644 592 HG12 ILE 75 HG13 ILE 75 6.581 -8.124 -4.355 593 HG13 ILE 75 HG12 ILE 75 7.730 -7.465 -3.221 594 HG21 ILE 75 HG21 ILE 75 8.522 -8.628 -1.474 595 HG22 ILE 75 HG22 ILE 75 9.493 -9.787 -2.421 596 HG23 ILE 75 HG23 ILE 75 8.269 -10.385 -1.274 597 HD11 ILE 75 HD11 ILE 75 9.079 -7.353 -5.017 598 HD12 ILE 75 HD12 ILE 75 8.120 -8.559 -5.933 599 HD13 ILE 75 HD13 ILE 75 9.319 -9.092 -4.719 600 HA PRO 76 HA PRO 76 7.957 -14.845 -2.757 601 HB2 PRO 76 HB3 PRO 76 10.698 -15.037 -3.940 602 HB3 PRO 76 HB2 PRO 76 9.334 -16.195 -4.025 603 HG2 PRO 76 HG3 PRO 76 10.007 -14.734 -6.093 604 HG3 PRO 76 HG2 PRO 76 8.309 -15.055 -5.742 605 HD2 PRO 76 HD3 PRO 76 9.904 -12.554 -5.238 606 HD3 PRO 76 HD2 PRO 76 8.209 -12.758 -5.770 607 H GLY 77 H GLY 77 8.625 -15.300 -0.735 608 HA2 GLY 77 HA3 GLY 77 10.369 -15.530 0.954 609 HA3 GLY 77 HA2 GLY 77 11.116 -14.117 0.233 610 H THR 78 H THR 78 8.281 -12.953 0.145 611 HA THR 78 HA THR 78 8.344 -11.908 2.884 612 HB THR 78 HB THR 78 8.207 -10.592 0.446 613 HG1 THR 78 HG1 THR 78 7.228 -9.608 2.922 614 HG21 THR 78 HG21 THR 78 5.767 -11.369 0.389 615 HG22 THR 78 HG22 THR 78 6.109 -9.675 0.140 616 HG23 THR 78 HG23 THR 78 5.521 -10.173 1.698 617 H LYS 79 H LYS 79 6.856 -12.363 4.336 618 HA LYS 79 HA LYS 79 4.442 -13.770 3.353 619 HB2 LYS 79 HB3 LYS 79 6.122 -14.806 5.034 620 HB3 LYS 79 HB2 LYS 79 5.350 -13.778 6.210 621 HG2 LYS 79 HG3 LYS 79 4.552 -16.236 5.916 622 HG3 LYS 79 HG2 LYS 79 3.375 -14.881 6.107 623 HD2 LYS 79 HD3 LYS 79 2.800 -16.514 4.291 624 HD3 LYS 79 HD2 LYS 79 2.977 -14.872 3.738 625 HE2 LYS 79 HE3 LYS 79 4.023 -16.484 2.204 626 HE3 LYS 79 HE2 LYS 79 5.184 -15.248 2.861 627 HZ1 LYS 79 HZ1 LYS 79 6.048 -17.551 2.921 628 HZ2 LYS 79 HZ2 LYS 79 4.880 -17.981 4.038 629 HZ3 LYS 79 HZ3 LYS 79 6.038 -16.849 4.433 630 H MET 80 H MET 80 2.404 -13.067 4.073 631 HA MET 80 HA MET 80 2.451 -10.391 5.360 632 HB2 MET 80 HB3 MET 80 1.331 -10.787 3.063 633 HB3 MET 80 HB2 MET 80 0.058 -11.662 3.974 634 HG2 MET 80 HG3 MET 80 -0.846 -9.580 3.872 635 HG3 MET 80 HG2 MET 80 0.038 -9.472 5.416 636 HE1 MET 80 HE1 MET 80 2.109 -9.568 2.124 637 HE2 MET 80 HE2 MET 80 1.909 -7.883 1.495 638 HE3 MET 80 HE3 MET 80 0.546 -8.979 1.531 639 H ILE 81 H ILE 81 2.132 -10.514 7.092 640 HA ILE 81 HA ILE 81 0.342 -12.544 8.604 641 HB ILE 81 HB ILE 81 2.299 -10.661 9.932 642 HG12 ILE 81 HG13 ILE 81 3.231 -13.129 10.452 643 HG13 ILE 81 HG12 ILE 81 2.274 -13.494 8.998 644 HG21 ILE 81 HG21 ILE 81 1.304 -12.924 11.521 645 HG22 ILE 81 HG22 ILE 81 0.175 -11.576 11.284 646 HG23 ILE 81 HG23 ILE 81 1.765 -11.294 12.010 647 HD11 ILE 81 HD11 ILE 81 4.360 -13.023 8.115 648 HD12 ILE 81 HD12 ILE 81 4.718 -11.830 9.323 649 HD13 ILE 81 HD13 ILE 81 3.617 -11.433 8.007 650 H PHE 82 H PHE 82 -1.632 -11.927 9.752 651 HA PHE 82 HA PHE 82 -3.142 -10.637 10.865 652 HB2 PHE 82 HB3 PHE 82 -1.067 -9.122 11.392 653 HB3 PHE 82 HB2 PHE 82 -1.674 -8.126 10.133 654 HD1 PHE 82 HD1 PHE 82 -2.305 -9.474 13.483 655 HD2 PHE 82 HD2 PHE 82 -3.706 -6.828 10.421 656 HE1 PHE 82 HE1 PHE 82 -3.803 -8.403 15.088 657 HE2 PHE 82 HE2 PHE 82 -5.218 -5.803 12.060 658 HZ PHE 82 HZ PHE 82 -5.320 -6.621 14.376 659 H ALA 83 H ALA 83 -4.798 -8.972 10.222 660 HA ALA 83 HA ALA 83 -5.344 -7.533 8.141 661 HB1 ALA 83 HB1 ALA 83 -6.083 -9.326 6.340 662 HB2 ALA 83 HB2 ALA 83 -4.813 -10.251 7.091 663 HB3 ALA 83 HB3 ALA 83 -4.457 -8.650 6.411 664 H GLY 84 H GLY 84 -7.023 -7.081 9.626 665 HA2 GLY 84 HA3 GLY 84 -9.053 -9.089 10.149 666 HA3 GLY 84 HA2 GLY 84 -9.079 -7.392 10.623 667 H ILE 85 H ILE 85 -8.457 -7.861 7.344 668 HA ILE 85 HA ILE 85 -11.313 -7.500 6.650 669 HB ILE 85 HB ILE 85 -8.986 -5.881 5.507 670 HG12 ILE 85 HG13 ILE 85 -10.534 -5.441 7.842 671 HG13 ILE 85 HG12 ILE 85 -9.555 -4.228 6.973 672 HG21 ILE 85 HG21 ILE 85 -11.940 -5.812 4.785 673 HG22 ILE 85 HG22 ILE 85 -10.642 -6.449 3.823 674 HG23 ILE 85 HG23 ILE 85 -10.696 -4.751 4.179 675 HD11 ILE 85 HD11 ILE 85 -11.693 -3.944 5.508 676 HD12 ILE 85 HD12 ILE 85 -11.591 -3.201 7.105 677 HD13 ILE 85 HD13 ILE 85 -12.471 -4.687 6.924 678 H LYS 86 H LYS 86 -11.943 -8.281 4.663 679 HA LYS 86 HA LYS 86 -9.942 -9.548 2.946 680 HB2 LYS 86 HB3 LYS 86 -11.564 -11.621 3.036 681 HB3 LYS 86 HB2 LYS 86 -10.240 -11.476 4.136 682 HG2 LYS 86 HG3 LYS 86 -12.495 -10.159 5.239 683 HG3 LYS 86 HG2 LYS 86 -12.960 -11.813 4.717 684 HD2 LYS 86 HD3 LYS 86 -11.487 -12.864 6.117 685 HD3 LYS 86 HD2 LYS 86 -10.411 -11.471 6.214 686 HE2 LYS 86 HE3 LYS 86 -12.536 -10.361 7.377 687 HE3 LYS 86 HE2 LYS 86 -12.969 -12.010 7.722 688 HZ1 LYS 86 HZ1 LYS 86 -10.258 -10.998 8.358 689 HZ2 LYS 86 HZ2 LYS 86 -11.055 -12.330 9.021 690 HZ3 LYS 86 HZ3 LYS 86 -11.590 -10.785 9.419 691 H LYS 87 H LYS 87 -13.352 -8.846 3.601 692 HA LYS 87 HA LYS 87 -14.702 -9.438 1.391 693 HB2 LYS 87 HB3 LYS 87 -15.001 -7.567 3.466 694 HB3 LYS 87 HB2 LYS 87 -15.200 -6.671 1.934 695 HG2 LYS 87 HG3 LYS 87 -17.292 -7.384 1.836 696 HG3 LYS 87 HG2 LYS 87 -16.680 -9.008 1.612 697 HD2 LYS 87 HD3 LYS 87 -16.505 -9.166 4.162 698 HD3 LYS 87 HD2 LYS 87 -17.460 -7.684 4.203 699 HE2 LYS 87 HE3 LYS 87 -18.789 -9.786 4.460 700 HE3 LYS 87 HE2 LYS 87 -19.296 -8.724 3.140 701 HZ1 LYS 87 HZ1 LYS 87 -19.023 -11.254 2.767 702 HZ2 LYS 87 HZ2 LYS 87 -17.348 -10.914 2.600 703 HZ3 LYS 87 HZ3 LYS 87 -18.482 -10.179 1.580 704 H LYS 88 H LYS 88 -14.245 -9.325 -0.723 705 HA LYS 88 HA LYS 88 -12.187 -7.861 -1.866 706 HB2 LYS 88 HB3 LYS 88 -13.370 -9.696 -3.003 707 HB3 LYS 88 HB2 LYS 88 -14.831 -8.731 -3.130 708 HG2 LYS 88 HG3 LYS 88 -13.840 -7.218 -4.632 709 HG3 LYS 88 HG2 LYS 88 -12.212 -7.944 -4.391 710 HD2 LYS 88 HD3 LYS 88 -14.472 -8.889 -6.045 711 HD3 LYS 88 HD2 LYS 88 -12.724 -9.051 -6.264 712 HE2 LYS 88 HE3 LYS 88 -13.687 -11.196 -5.917 713 HE3 LYS 88 HE2 LYS 88 -12.780 -10.784 -4.466 714 HZ1 LYS 88 HZ1 LYS 88 -15.424 -11.566 -4.583 715 HZ2 LYS 88 HZ2 LYS 88 -15.460 -9.896 -4.274 716 HZ3 LYS 88 HZ3 LYS 88 -14.594 -10.929 -3.225 717 H THR 89 H THR 89 -15.475 -6.860 -1.289 718 HA THR 89 HA THR 89 -15.316 -4.445 -2.723 719 HB THR 89 HB THR 89 -17.481 -4.022 -1.958 720 HG1 THR 89 HG1 THR 89 -17.353 -3.777 0.177 721 HG21 THR 89 HG21 THR 89 -17.363 -6.928 -1.314 722 HG22 THR 89 HG22 THR 89 -17.426 -6.302 -2.966 723 HG23 THR 89 HG23 THR 89 -18.758 -5.986 -1.839 724 H GLU 90 H GLU 90 -14.484 -5.391 0.490 725 HA GLU 90 HA GLU 90 -14.204 -2.730 1.502 726 HB2 GLU 90 HB3 GLU 90 -12.966 -5.294 2.575 727 HB3 GLU 90 HB2 GLU 90 -13.155 -3.787 3.461 728 HG2 GLU 90 HG3 GLU 90 -15.655 -4.925 2.342 729 HG3 GLU 90 HG2 GLU 90 -14.847 -5.867 3.639 730 H ARG 91 H ARG 91 -11.946 -5.200 0.366 731 HA ARG 91 HA ARG 91 -9.610 -3.720 0.722 732 HB2 ARG 91 HB3 ARG 91 -10.108 -5.929 -1.221 733 HB3 ARG 91 HB2 ARG 91 -8.589 -5.083 -1.103 734 HG2 ARG 91 HG3 ARG 91 -9.019 -5.746 1.478 735 HG3 ARG 91 HG2 ARG 91 -9.842 -7.076 0.683 736 HD2 ARG 91 HD3 ARG 91 -7.205 -6.918 -0.601 737 HD3 ARG 91 HD2 ARG 91 -7.097 -6.639 1.135 738 HE ARG 91 HE ARG 91 -8.437 -8.773 1.139 739 HH11 ARG 91 HH11 ARG 91 -6.030 -7.796 -1.203 740 HH12 ARG 91 HH12 ARG 91 -5.512 -9.411 -1.546 741 HH21 ARG 91 HH21 ARG 91 -7.762 -10.897 0.681 742 HH22 ARG 91 HH22 ARG 91 -6.466 -11.170 -0.428 743 H GLU 92 H GLU 92 -11.631 -4.151 -2.196 744 HA GLU 92 HA GLU 92 -10.158 -2.527 -3.886 745 HB2 GLU 92 HB3 GLU 92 -11.995 -4.139 -4.482 746 HB3 GLU 92 HB2 GLU 92 -13.148 -2.860 -3.961 747 HG2 GLU 92 HG3 GLU 92 -12.895 -2.784 -6.356 748 HG3 GLU 92 HG2 GLU 92 -12.178 -1.342 -5.638 749 H ASP 93 H ASP 93 -12.729 -1.772 -1.595 750 HA ASP 93 HA ASP 93 -13.175 0.893 -2.391 751 HB2 ASP 93 HB3 ASP 93 -14.764 -0.069 -0.895 752 HB3 ASP 93 HB2 ASP 93 -13.506 -0.526 0.248 753 H GLY 94 H GLY 94 -10.951 -0.417 0.026 754 HA2 GLY 94 HA3 GLY 94 -9.881 1.997 0.886 755 HA3 GLY 94 HA2 GLY 94 -9.057 0.433 0.957 756 H ILE 95 H ILE 95 -9.087 0.013 -1.842 757 HA ILE 95 HA ILE 95 -6.654 1.239 -2.595 758 HB ILE 95 HB ILE 95 -8.672 -0.423 -3.961 759 HG12 ILE 95 HG13 ILE 95 -5.672 -0.413 -3.641 760 HG13 ILE 95 HG12 ILE 95 -6.833 -1.461 -2.829 761 HG21 ILE 95 HG21 ILE 95 -8.540 0.593 -5.935 762 HG22 ILE 95 HG22 ILE 95 -6.853 0.096 -5.976 763 HG23 ILE 95 HG23 ILE 95 -7.258 1.694 -5.349 764 HD11 ILE 95 HD11 ILE 95 -6.526 -1.497 -5.818 765 HD12 ILE 95 HD12 ILE 95 -7.213 -2.744 -4.743 766 HD13 ILE 95 HD13 ILE 95 -5.494 -2.450 -4.721 767 H ALA 96 H ALA 96 -10.049 2.034 -3.328 768 HA ALA 96 HA ALA 96 -9.603 3.978 -5.269 769 HB1 ALA 96 HB1 ALA 96 -11.822 3.182 -4.838 770 HB2 ALA 96 HB2 ALA 96 -11.795 4.930 -4.600 771 HB3 ALA 96 HB3 ALA 96 -11.784 3.835 -3.179 772 H TYR 97 H TYR 97 -9.847 4.241 -1.739 773 HA TYR 97 HA TYR 97 -9.407 7.036 -1.542 774 HB2 TYR 97 HB3 TYR 97 -10.201 5.901 0.384 775 HB3 TYR 97 HB2 TYR 97 -8.911 4.764 0.381 776 HD1 TYR 97 HD1 TYR 97 -7.954 5.072 2.504 777 HD2 TYR 97 HD2 TYR 97 -8.657 8.454 0.021 778 HE1 TYR 97 HE1 TYR 97 -6.686 6.465 4.030 779 HE2 TYR 97 HE2 TYR 97 -7.385 9.883 1.553 780 HH TYR 97 HH TYR 97 -5.568 8.523 4.221 781 H LEU 98 H LEU 98 -7.229 4.294 -1.726 782 HA LEU 98 HA LEU 98 -4.784 5.633 -1.189 783 HB2 LEU 98 HB3 LEU 98 -5.577 3.029 -1.801 784 HB3 LEU 98 HB2 LEU 98 -4.549 3.511 -3.150 785 HG LEU 98 HG LEU 98 -3.751 3.727 -0.251 786 HD11 LEU 98 HD11 LEU 98 -2.271 1.650 -1.316 787 HD12 LEU 98 HD12 LEU 98 -3.922 1.363 -1.987 788 HD13 LEU 98 HD13 LEU 98 -3.645 1.489 -0.256 789 HD21 LEU 98 HD21 LEU 98 -2.233 3.916 -2.859 790 HD22 LEU 98 HD22 LEU 98 -1.463 3.711 -1.303 791 HD23 LEU 98 HD23 LEU 98 -2.438 5.115 -1.596 792 H LYS 99 H LYS 99 -6.657 5.224 -4.149 793 HA LYS 99 HA LYS 99 -4.784 6.060 -6.016 794 HB2 LYS 99 HB3 LYS 99 -7.704 6.678 -6.137 795 HB3 LYS 99 HB2 LYS 99 -6.603 6.476 -7.497 796 HG2 LYS 99 HG3 LYS 99 -7.526 4.324 -5.594 797 HG3 LYS 99 HG2 LYS 99 -8.011 4.535 -7.276 798 HD2 LYS 99 HD3 LYS 99 -6.320 2.864 -6.608 799 HD3 LYS 99 HD2 LYS 99 -5.364 4.380 -7.633 800 HE2 LYS 99 HE3 LYS 99 -4.198 3.647 -5.884 801 HE3 LYS 99 HE2 LYS 99 -5.568 3.800 -4.864 802 HZ1 LYS 99 HZ1 LYS 99 -4.300 1.496 -5.580 803 HZ2 LYS 99 HZ2 LYS 99 -5.781 1.487 -6.333 804 HZ3 LYS 99 HZ3 LYS 99 -5.696 1.678 -4.632 805 H LYS 100 H LYS 100 -7.095 7.962 -4.061 806 HA LYS 100 HA LYS 100 -6.243 10.474 -5.216 807 HB2 LYS 100 HB3 LYS 100 -8.295 10.944 -4.433 808 HB3 LYS 100 HB2 LYS 100 -8.284 9.547 -3.369 809 HG2 LYS 100 HG3 LYS 100 -6.942 10.855 -1.747 810 HG3 LYS 100 HG2 LYS 100 -7.125 12.236 -2.810 811 HD2 LYS 100 HD3 LYS 100 -9.263 10.720 -1.361 812 HD3 LYS 100 HD2 LYS 100 -8.794 12.387 -1.088 813 HE2 LYS 100 HE3 LYS 100 -9.887 11.432 -3.694 814 HE3 LYS 100 HE2 LYS 100 -10.903 11.994 -2.414 815 HZ1 LYS 100 HZ1 LYS 100 -9.499 13.479 -4.318 816 HZ2 LYS 100 HZ2 LYS 100 -8.845 13.891 -2.801 817 HZ3 LYS 100 HZ3 LYS 100 -10.525 14.088 -3.119 818 H ALA 101 H ALA 101 -5.589 8.604 -2.316 819 HA ALA 101 HA ALA 101 -4.189 10.461 -0.800 820 HB1 ALA 101 HB1 ALA 101 -3.436 7.555 -0.808 821 HB2 ALA 101 HB2 ALA 101 -4.981 8.069 -0.233 822 HB3 ALA 101 HB3 ALA 101 -3.518 8.633 0.545 823 H THR 102 H THR 102 -3.235 8.670 -3.577 824 HA THR 102 HA THR 102 -0.449 9.555 -3.240 825 HB THR 102 HB THR 102 -0.398 7.283 -3.831 826 HG1 THR 102 HG1 THR 102 -0.893 7.947 -5.487 827 HG21 THR 102 HG21 THR 102 -2.897 7.852 -5.207 828 HG22 THR 102 HG22 THR 102 -2.319 6.332 -4.486 829 HG23 THR 102 HG23 THR 102 -1.822 6.774 -6.083 830 H ASN 103 H ASN 103 -3.390 10.035 -4.847 831 HA ASN 103 HA ASN 103 -2.363 12.431 -6.040 832 HB2 ASN 103 HB3 ASN 103 -3.791 10.717 -8.070 833 HB3 ASN 103 HB2 ASN 103 -2.514 11.946 -8.274 834 HD21 ASN 103 HD21 ASN 103 -3.143 8.663 -7.296 835 HD22 ASN 103 HD22 ASN 103 -1.522 8.069 -7.610 836 H GLU 104 H GLU 104 -3.854 13.782 -5.306 837 HA GLU 104 HA GLU 104 -6.285 14.320 -6.164 838 HB2 GLU 104 HB3 GLU 104 -6.450 11.965 -4.385 839 HB3 GLU 104 HB2 GLU 104 -7.733 13.138 -4.300 840 HG2 GLU 104 HG3 GLU 104 -7.092 12.370 -7.033 841 HG3 GLU 104 HG2 GLU 104 -7.612 11.031 -5.997 842 HHA HEC 201 HHA HEC 201 5.234 -5.196 0.477 843 HHB HEC 201 HHB HEC 201 -0.275 -2.494 0.349 844 HHC HEC 201 HHC HEC 201 -1.956 -6.222 5.159 845 HHD HEC 201 HHD HEC 201 4.145 -6.004 6.774 846 HMA1 HEC 201 HMA1 HEC 201 1.053 -1.190 -1.163 847 HMA2 HEC 201 HMA2 HEC 201 2.634 -0.370 -0.628 848 HMA3 HEC 201 HMA3 HEC 201 2.437 -1.609 -1.499 849 HAA1 HEC 201 HAA1 HEC 201 5.121 -3.086 -1.360 850 HAA2 HEC 201 HAA2 HEC 201 5.682 -2.455 0.220 851 HBA1 HEC 201 HBA1 HEC 201 4.224 -0.434 -0.213 852 HBA2 HEC 201 HBA2 HEC 201 3.994 -1.011 -1.849 853 HMB1 HEC 201 HMB1 HEC 201 -3.460 -1.967 2.051 854 HMB2 HEC 201 HMB2 HEC 201 -3.539 -3.233 0.769 855 HMB3 HEC 201 HMB3 HEC 201 -2.262 -1.990 0.688 856 HAB HEC 201 HAB HEC 201 -3.812 -3.353 4.520 857 HBB1 HEC 201 HBB1 HEC 201 -5.255 -5.271 2.683 858 HBB2 HEC 201 HBB2 HEC 201 -4.607 -3.777 1.973 859 HBB3 HEC 201 HBB3 HEC 201 -5.721 -3.691 3.366 860 HMC1 HEC 201 HMC1 HEC 201 -0.871 -7.721 8.489 861 HMC2 HEC 201 HMC2 HEC 201 -1.851 -7.809 6.861 862 HMC3 HEC 201 HMC3 HEC 201 -0.519 -8.487 7.210 863 HAC HEC 201 HAC HEC 201 3.052 -7.057 8.236 864 HBC1 HEC 201 HBC1 HEC 201 3.325 -9.445 7.679 865 HBC2 HEC 201 HBC2 HEC 201 1.673 -9.754 8.251 866 HBC3 HEC 201 HBC3 HEC 201 2.926 -9.204 9.398 867 HMD1 HEC 201 HMD1 HEC 201 6.062 -7.212 6.357 868 HMD2 HEC 201 HMD2 HEC 201 7.191 -5.913 5.983 869 HMD3 HEC 201 HMD3 HEC 201 7.268 -7.506 5.121 870 HAD1 HEC 201 HAD1 HEC 201 8.021 -6.483 3.138 871 HAD2 HEC 201 HAD2 HEC 201 7.629 -5.051 2.216 872 HBD1 HEC 201 HBD1 HEC 201 7.922 -7.703 1.286 873 HBD2 HEC 201 HBD2 HEC 201 7.407 -6.239 0.351 Start of MODEL 15 1 H1 GLY 1 1H GLY 1 -19.206 4.164 -0.475 2 H2 GLY 1 2H GLY 1 -18.585 3.657 -1.964 3 H3 GLY 1 3H GLY 1 -18.749 5.308 -1.636 4 HA2 GLY 1 HA2 GLY 1 -17.144 3.898 0.296 5 HA3 GLY 1 HA3 GLY 1 -16.476 3.881 -1.329 6 H ASP 2 H ASP 2 -16.366 5.389 1.561 7 HA ASP 2 HA ASP 2 -15.751 7.942 0.251 8 HB2 ASP 2 HB3 ASP 2 -16.406 7.569 3.181 9 HB3 ASP 2 HB2 ASP 2 -16.391 9.094 2.227 10 H VAL 3 H VAL 3 -13.993 9.192 1.196 11 HA VAL 3 HA VAL 3 -11.667 7.668 1.421 12 HB VAL 3 HB VAL 3 -12.300 10.523 1.640 13 HG11 VAL 3 HG11 VAL 3 -10.984 10.579 3.510 14 HG12 VAL 3 HG12 VAL 3 -9.810 10.942 2.282 15 HG13 VAL 3 HG13 VAL 3 -9.926 9.303 3.023 16 HG21 VAL 3 HG21 VAL 3 -11.576 10.284 -0.440 17 HG22 VAL 3 HG22 VAL 3 -10.897 8.705 -0.049 18 HG23 VAL 3 HG23 VAL 3 -9.966 10.220 0.335 19 H GLU 4 H GLU 4 -13.766 9.422 3.832 20 HA GLU 4 HA GLU 4 -12.083 9.044 6.122 21 HB2 GLU 4 HB3 GLU 4 -14.042 10.544 6.199 22 HB3 GLU 4 HB2 GLU 4 -15.066 9.158 5.906 23 HG2 GLU 4 HG3 GLU 4 -14.277 8.242 8.079 24 HG3 GLU 4 HG2 GLU 4 -13.582 9.828 8.347 25 H LYS 5 H LYS 5 -14.641 6.953 4.854 26 HA LYS 5 HA LYS 5 -14.501 4.973 6.871 27 HB2 LYS 5 HB3 LYS 5 -15.364 4.636 3.977 28 HB3 LYS 5 HB2 LYS 5 -15.765 3.629 5.350 29 HG2 LYS 5 HG3 LYS 5 -16.592 6.046 6.129 30 HG3 LYS 5 HG2 LYS 5 -16.968 6.008 4.412 31 HD2 LYS 5 HD3 LYS 5 -17.681 3.520 5.760 32 HD3 LYS 5 HD2 LYS 5 -18.576 4.927 6.253 33 HE2 LYS 5 HE3 LYS 5 -19.862 4.793 4.475 34 HE3 LYS 5 HE2 LYS 5 -18.401 5.086 3.446 35 HZ1 LYS 5 HZ1 LYS 5 -19.985 2.653 3.785 36 HZ2 LYS 5 HZ2 LYS 5 -18.435 2.376 4.254 37 HZ3 LYS 5 HZ3 LYS 5 -18.682 2.984 2.754 38 H GLY 6 H GLY 6 -12.816 5.420 3.741 39 HA2 GLY 6 HA3 GLY 6 -11.517 2.868 3.700 40 HA3 GLY 6 HA2 GLY 6 -10.940 4.314 2.940 41 H LYS 7 H LYS 7 -10.471 5.912 5.096 42 HA LYS 7 HA LYS 7 -7.889 5.218 5.734 43 HB2 LYS 7 HB3 LYS 7 -8.302 7.460 5.971 44 HB3 LYS 7 HB2 LYS 7 -9.832 7.192 6.834 45 HG2 LYS 7 HG3 LYS 7 -7.675 6.117 8.427 46 HG3 LYS 7 HG2 LYS 7 -7.330 7.731 7.986 47 HD2 LYS 7 HD3 LYS 7 -10.025 7.879 8.648 48 HD3 LYS 7 HD2 LYS 7 -9.281 6.683 9.864 49 HE2 LYS 7 HE3 LYS 7 -8.788 8.653 10.929 50 HE3 LYS 7 HE2 LYS 7 -7.383 8.778 9.753 51 HZ1 LYS 7 HZ1 LYS 7 -8.352 10.771 9.470 52 HZ2 LYS 7 HZ2 LYS 7 -9.859 10.270 9.968 53 HZ3 LYS 7 HZ3 LYS 7 -9.363 9.950 8.404 54 H LYS 8 H LYS 8 -10.925 4.852 7.629 55 HA LYS 8 HA LYS 8 -9.812 3.835 10.013 56 HB2 LYS 8 HB3 LYS 8 -11.914 4.628 10.384 57 HB3 LYS 8 HB2 LYS 8 -12.540 3.965 8.881 58 HG2 LYS 8 HG3 LYS 8 -11.626 2.119 11.057 59 HG3 LYS 8 HG2 LYS 8 -13.209 2.935 11.178 60 HD2 LYS 8 HD3 LYS 8 -12.397 1.203 8.818 61 HD3 LYS 8 HD2 LYS 8 -13.417 0.744 10.140 62 HE2 LYS 8 HE3 LYS 8 -13.911 3.058 8.264 63 HE3 LYS 8 HE2 LYS 8 -14.644 1.458 8.103 64 HZ1 LYS 8 HZ1 LYS 8 -15.179 3.500 10.082 65 HZ2 LYS 8 HZ2 LYS 8 -15.454 1.958 10.508 66 HZ3 LYS 8 HZ3 LYS 8 -16.311 2.603 9.214 67 H ILE 9 H ILE 9 -11.115 2.314 7.115 68 HA ILE 9 HA ILE 9 -11.047 -0.348 8.005 69 HB ILE 9 HB ILE 9 -11.168 0.982 5.358 70 HG12 ILE 9 HG13 ILE 9 -12.681 -1.323 6.609 71 HG13 ILE 9 HG12 ILE 9 -13.188 0.363 6.632 72 HG21 ILE 9 HG21 ILE 9 -9.725 -0.484 4.449 73 HG22 ILE 9 HG22 ILE 9 -11.092 -1.593 4.541 74 HG23 ILE 9 HG23 ILE 9 -9.856 -1.612 5.798 75 HD11 ILE 9 HD11 ILE 9 -13.544 -1.645 4.596 76 HD12 ILE 9 HD12 ILE 9 -12.775 -0.196 3.951 77 HD13 ILE 9 HD13 ILE 9 -14.324 -0.074 4.784 78 H PHE 10 H PHE 10 -8.675 1.580 6.286 79 HA PHE 10 HA PHE 10 -6.679 -0.463 5.991 80 HB2 PHE 10 HB3 PHE 10 -6.274 1.295 4.565 81 HB3 PHE 10 HB2 PHE 10 -6.630 2.558 5.781 82 HD1 PHE 10 HD1 PHE 10 -4.101 0.760 4.075 83 HD2 PHE 10 HD2 PHE 10 -5.031 2.840 7.635 84 HE1 PHE 10 HE1 PHE 10 -1.663 1.075 4.526 85 HE2 PHE 10 HE2 PHE 10 -2.579 3.137 8.106 86 HZ PHE 10 HZ PHE 10 -0.980 2.267 6.499 87 H VAL 11 H VAL 11 -7.396 2.021 8.381 88 HA VAL 11 HA VAL 11 -4.880 1.973 9.530 89 HB VAL 11 HB VAL 11 -7.655 2.504 10.809 90 HG11 VAL 11 HG11 VAL 11 -6.593 3.318 12.665 91 HG12 VAL 11 HG12 VAL 11 -4.966 3.413 11.951 92 HG13 VAL 11 HG13 VAL 11 -5.699 1.863 12.386 93 HG21 VAL 11 HG21 VAL 11 -7.495 4.411 9.671 94 HG22 VAL 11 HG22 VAL 11 -5.958 4.022 8.975 95 HG23 VAL 11 HG23 VAL 11 -6.043 4.822 10.549 96 H GLN 12 H GLN 12 -7.749 -0.039 10.545 97 HA GLN 12 HA GLN 12 -6.045 -1.474 12.492 98 HB2 GLN 12 HB3 GLN 12 -8.185 -2.843 12.837 99 HB3 GLN 12 HB2 GLN 12 -8.314 -1.102 13.257 100 HG2 GLN 12 HG3 GLN 12 -10.151 -0.976 11.984 101 HG3 GLN 12 HG2 GLN 12 -9.056 -1.173 10.553 102 HE21 GLN 12 HE21 GLN 12 -8.262 -3.897 11.248 103 HE22 GLN 12 HE22 GLN 12 -9.697 -4.866 10.807 104 H LYS 13 H LYS 13 -7.814 -1.941 9.670 105 HA LYS 13 HA LYS 13 -7.633 -4.230 8.495 106 HB2 LYS 13 HB3 LYS 13 -7.960 -2.461 7.103 107 HB3 LYS 13 HB2 LYS 13 -6.700 -1.586 7.525 108 HG2 LYS 13 HG3 LYS 13 -6.177 -2.257 5.381 109 HG3 LYS 13 HG2 LYS 13 -5.378 -3.412 6.455 110 HD2 LYS 13 HD3 LYS 13 -6.503 -5.090 5.519 111 HD3 LYS 13 HD2 LYS 13 -8.047 -4.286 5.908 112 HE2 LYS 13 HE3 LYS 13 -7.157 -2.883 3.927 113 HE3 LYS 13 HE2 LYS 13 -6.792 -4.661 3.409 114 HZ1 LYS 13 HZ1 LYS 13 -9.374 -3.929 4.339 115 HZ2 LYS 13 HZ2 LYS 13 -8.817 -5.324 3.448 116 HZ3 LYS 13 HZ3 LYS 13 -8.926 -3.830 2.660 117 H CYS 14 H CYS 14 -4.587 -2.227 8.883 118 HA CYS 14 HA CYS 14 -2.984 -4.372 9.574 119 HB2 CYS 14 HB3 CYS 14 -1.603 -4.800 7.671 120 HB3 CYS 14 HB2 CYS 14 -3.274 -5.465 7.518 121 H ALA 15 H ALA 15 -3.585 -1.287 9.491 122 HA ALA 15 HA ALA 15 -1.369 0.100 8.590 123 HB1 ALA 15 HB1 ALA 15 -2.774 0.834 11.138 124 HB2 ALA 15 HB2 ALA 15 -3.552 0.998 9.564 125 HB3 ALA 15 HB3 ALA 15 -2.076 1.895 9.914 126 H GLN 16 H GLN 16 -1.518 -2.098 11.548 127 HA GLN 16 HA GLN 16 0.703 -1.133 12.897 128 HB2 GLN 16 HB3 GLN 16 0.423 -4.089 12.929 129 HB3 GLN 16 HB2 GLN 16 0.492 -2.934 14.289 130 HG2 GLN 16 HG3 GLN 16 -1.927 -2.261 13.597 131 HG3 GLN 16 HG2 GLN 16 -1.928 -3.704 12.583 132 HE21 GLN 16 HE21 GLN 16 -0.777 -2.948 15.835 133 HE22 GLN 16 HE22 GLN 16 -1.585 -4.269 16.633 134 H CYS 17 H CYS 17 0.533 -3.321 10.204 135 HA CYS 17 HA CYS 17 3.325 -4.000 10.187 136 HB2 CYS 17 HB3 CYS 17 1.506 -4.281 7.828 137 HB3 CYS 17 HB2 CYS 17 2.849 -5.327 8.282 138 H HIS 18 H HIS 18 1.340 -1.415 8.945 139 HA HIS 18 HA HIS 18 3.623 -0.487 7.234 140 HB2 HIS 18 HB3 HIS 18 0.662 0.312 7.152 141 HB3 HIS 18 HB2 HIS 18 1.963 0.805 6.078 142 HD1 HIS 18 HD1 HIS 18 1.757 -0.287 3.856 143 HD2 HIS 18 HD2 HIS 18 0.727 -2.730 7.082 144 HE1 HIS 18 HE1 HIS 18 1.115 -2.516 2.805 145 H THR 19 H THR 19 3.123 -0.240 10.253 146 HA THR 19 HA THR 19 3.234 1.319 11.871 147 HB THR 19 HB THR 19 4.740 2.956 9.722 148 HG1 THR 19 HG1 THR 19 6.573 1.717 10.511 149 HG21 THR 19 HG21 THR 19 5.180 3.003 12.682 150 HG22 THR 19 HG22 THR 19 4.256 4.125 11.786 151 HG23 THR 19 HG23 THR 19 5.933 3.939 11.427 152 H VAL 20 H VAL 20 2.647 3.529 12.619 153 HA VAL 20 HA VAL 20 0.267 4.404 11.314 154 HB VAL 20 HB VAL 20 1.306 5.743 13.711 155 HG11 VAL 20 HG11 VAL 20 -0.818 6.343 12.365 156 HG12 VAL 20 HG12 VAL 20 -0.866 6.338 14.162 157 HG13 VAL 20 HG13 VAL 20 -1.496 4.938 13.166 158 HG21 VAL 20 HG21 VAL 20 0.315 3.980 15.123 159 HG22 VAL 20 HG22 VAL 20 1.521 3.233 14.095 160 HG23 VAL 20 HG23 VAL 20 -0.185 3.111 13.642 161 H GLU 21 H GLU 21 0.784 7.046 12.646 162 HA GLU 21 HA GLU 21 1.500 8.485 10.323 163 HB2 GLU 21 HB3 GLU 21 1.919 10.102 12.681 164 HB3 GLU 21 HB2 GLU 21 0.704 10.250 11.334 165 HG2 GLU 21 HG3 GLU 21 -0.759 8.596 12.403 166 HG3 GLU 21 HG2 GLU 21 0.473 8.377 13.740 167 H LYS 22 H LYS 22 3.334 9.614 9.785 168 HA LYS 22 HA LYS 22 5.863 8.453 10.239 169 HB2 LYS 22 HB3 LYS 22 5.117 10.158 8.492 170 HB3 LYS 22 HB2 LYS 22 5.534 11.386 9.624 171 HG2 LYS 22 HG3 LYS 22 7.343 9.287 8.441 172 HG3 LYS 22 HG2 LYS 22 7.492 11.014 8.243 173 HD2 LYS 22 HD3 LYS 22 7.977 9.496 10.772 174 HD3 LYS 22 HD2 LYS 22 9.183 10.343 9.739 175 HE2 LYS 22 HE3 LYS 22 8.268 12.427 10.234 176 HE3 LYS 22 HE2 LYS 22 6.906 11.758 11.060 177 HZ1 LYS 22 HZ1 LYS 22 9.397 12.529 12.162 178 HZ2 LYS 22 HZ2 LYS 22 9.223 10.820 12.206 179 HZ3 LYS 22 HZ3 LYS 22 8.059 11.777 12.971 180 H GLY 23 H GLY 23 7.041 8.353 12.050 181 HA2 GLY 23 HA3 GLY 23 8.197 10.217 13.541 182 HA3 GLY 23 HA2 GLY 23 6.530 10.336 14.174 183 H GLY 24 H GLY 24 6.099 7.421 13.802 184 HA2 GLY 24 HA3 GLY 24 7.256 6.506 16.276 185 HA3 GLY 24 HA2 GLY 24 6.153 5.609 15.243 186 H LYS 25 H LYS 25 7.078 3.704 14.696 187 HA LYS 25 HA LYS 25 9.887 3.709 14.048 188 HB2 LYS 25 HB3 LYS 25 8.795 1.114 14.500 189 HB3 LYS 25 HB2 LYS 25 10.213 1.811 15.223 190 HG2 LYS 25 HG3 LYS 25 9.041 2.528 16.976 191 HG3 LYS 25 HG2 LYS 25 7.494 2.795 16.123 192 HD2 LYS 25 HD3 LYS 25 8.767 0.164 17.041 193 HD3 LYS 25 HD2 LYS 25 7.264 0.903 17.703 194 HE2 LYS 25 HE3 LYS 25 5.991 0.021 16.213 195 HE3 LYS 25 HE2 LYS 25 6.972 0.711 14.951 196 HZ1 LYS 25 HZ1 LYS 25 6.945 -2.054 15.906 197 HZ2 LYS 25 HZ2 LYS 25 8.535 -1.363 15.685 198 HZ3 LYS 25 HZ3 LYS 25 7.449 -1.369 14.412 199 H HIS 26 H HIS 26 10.621 2.326 12.310 200 HA HIS 26 HA HIS 26 9.046 2.622 9.995 201 HB2 HIS 26 HB3 HIS 26 10.942 0.523 9.600 202 HB3 HIS 26 HB2 HIS 26 11.005 2.182 9.017 203 HD1 HIS 26 HD1 HIS 26 11.696 0.468 12.356 204 HD2 HIS 26 HD2 HIS 26 13.266 3.383 9.844 205 HE1 HIS 26 HE1 HIS 26 13.791 1.274 13.489 206 HE2 HIS 26 HE2 HIS 26 14.672 3.104 11.997 207 H LYS 27 H LYS 27 7.786 1.276 8.822 208 HA LYS 27 HA LYS 27 6.726 -0.966 10.315 209 HB2 LYS 27 HB3 LYS 27 4.793 -0.860 8.972 210 HB3 LYS 27 HB2 LYS 27 5.372 0.824 8.869 211 HG2 LYS 27 HG3 LYS 27 6.748 -0.471 6.878 212 HG3 LYS 27 HG2 LYS 27 5.139 -1.139 6.774 213 HD2 LYS 27 HD3 LYS 27 5.603 0.990 5.453 214 HD3 LYS 27 HD2 LYS 27 4.117 0.872 6.445 215 HE2 LYS 27 HE3 LYS 27 4.756 2.618 7.709 216 HE3 LYS 27 HE2 LYS 27 6.396 1.896 7.997 217 HZ1 LYS 27 HZ1 LYS 27 7.199 2.872 6.021 218 HZ2 LYS 27 HZ2 LYS 27 6.360 4.065 6.832 219 HZ3 LYS 27 HZ3 LYS 27 5.698 3.404 5.465 220 H THR 28 H THR 28 6.036 -2.947 8.930 221 HA THR 28 HA THR 28 8.508 -4.196 8.139 222 HB THR 28 HB THR 28 5.917 -5.376 7.343 223 HG1 THR 28 HG1 THR 28 6.709 -5.481 10.054 224 HG21 THR 28 HG21 THR 28 6.852 -7.383 7.900 225 HG22 THR 28 HG22 THR 28 7.947 -6.691 8.930 226 HG23 THR 28 HG23 THR 28 8.218 -6.549 7.241 227 H GLY 29 H GLY 29 5.711 -2.842 6.376 228 HA2 GLY 29 HA3 GLY 29 7.371 -2.933 3.937 229 HA3 GLY 29 HA2 GLY 29 5.718 -3.505 3.839 230 HA PRO 30 HA PRO 30 6.637 1.296 3.267 231 HB2 PRO 30 HB3 PRO 30 5.501 0.333 0.609 232 HB3 PRO 30 HB2 PRO 30 6.679 1.661 0.875 233 HG2 PRO 30 HG3 PRO 30 7.579 -0.636 0.058 234 HG3 PRO 30 HG2 PRO 30 8.470 0.226 1.231 235 HD2 PRO 30 HD3 PRO 30 6.893 -2.248 1.598 236 HD3 PRO 30 HD2 PRO 30 8.291 -1.656 2.491 237 H ASN 31 H ASN 31 4.994 2.353 4.069 238 HA ASN 31 HA ASN 31 2.423 1.343 4.447 239 HB2 ASN 31 HB3 ASN 31 3.722 3.437 5.454 240 HB3 ASN 31 HB2 ASN 31 2.730 4.306 4.261 241 HD21 ASN 31 HD21 ASN 31 2.018 5.231 6.463 242 HD22 ASN 31 HD22 ASN 31 0.703 4.497 7.141 243 H LEU 32 H LEU 32 3.297 3.930 2.199 244 HA LEU 32 HA LEU 32 1.838 2.923 0.159 245 HB2 LEU 32 HB3 LEU 32 -0.059 4.432 -0.104 246 HB3 LEU 32 HB2 LEU 32 -0.095 3.472 1.365 247 HG LEU 32 HG LEU 32 -1.145 5.601 1.928 248 HD11 LEU 32 HD11 LEU 32 1.519 5.229 2.869 249 HD12 LEU 32 HD12 LEU 32 0.092 4.548 3.648 250 HD13 LEU 32 HD13 LEU 32 0.359 6.290 3.669 251 HD21 LEU 32 HD21 LEU 32 -0.372 7.563 1.166 252 HD22 LEU 32 HD22 LEU 32 0.298 6.487 -0.060 253 HD23 LEU 32 HD23 LEU 32 1.289 7.005 1.310 254 H HIS 33 H HIS 33 3.339 5.629 1.698 255 HA HIS 33 HA HIS 33 3.443 7.587 -0.223 256 HB2 HIS 33 HB3 HIS 33 4.735 7.084 2.202 257 HB3 HIS 33 HB2 HIS 33 6.040 7.273 1.036 258 HD1 HIS 33 HD1 HIS 33 6.684 9.519 2.217 259 HD2 HIS 33 HD2 HIS 33 2.913 9.485 0.471 260 HE1 HIS 33 HE1 HIS 33 5.966 11.926 2.122 261 HE2 HIS 33 HE2 HIS 33 3.646 11.873 1.141 262 H GLY 34 H GLY 34 4.189 7.703 -2.171 263 HA2 GLY 34 HA3 GLY 34 5.464 7.305 -4.071 264 HA3 GLY 34 HA2 GLY 34 6.663 6.478 -2.990 265 H LEU 35 H LEU 35 3.463 5.354 -2.845 266 HA LEU 35 HA LEU 35 4.176 2.715 -3.610 267 HB2 LEU 35 HB3 LEU 35 2.280 3.285 -2.255 268 HB3 LEU 35 HB2 LEU 35 1.457 3.942 -3.619 269 HG LEU 35 HG LEU 35 1.349 1.715 -4.570 270 HD11 LEU 35 HD11 LEU 35 2.483 -0.067 -3.894 271 HD12 LEU 35 HD12 LEU 35 2.315 0.392 -2.195 272 HD13 LEU 35 HD13 LEU 35 3.518 1.153 -3.228 273 HD21 LEU 35 HD21 LEU 35 0.371 2.072 -1.783 274 HD22 LEU 35 HD22 LEU 35 0.064 0.578 -2.733 275 HD23 LEU 35 HD23 LEU 35 -0.500 2.055 -3.383 276 H PHE 36 H PHE 36 2.368 5.306 -5.385 277 HA PHE 36 HA PHE 36 2.779 3.703 -7.867 278 HB2 PHE 36 HB3 PHE 36 0.885 6.021 -7.839 279 HB3 PHE 36 HB2 PHE 36 0.757 4.539 -8.615 280 HD1 PHE 36 HD1 PHE 36 -0.305 2.610 -7.744 281 HD2 PHE 36 HD2 PHE 36 0.292 6.200 -5.421 282 HE1 PHE 36 HE1 PHE 36 -1.780 1.759 -5.940 283 HE2 PHE 36 HE2 PHE 36 -1.265 5.343 -3.696 284 HZ PHE 36 HZ PHE 36 -2.318 3.111 -4.044 285 H GLY 37 H GLY 37 4.459 5.755 -6.351 286 HA2 GLY 37 HA3 GLY 37 5.065 7.458 -8.724 287 HA3 GLY 37 HA2 GLY 37 5.167 8.122 -7.047 288 H ARG 38 H ARG 38 6.435 5.839 -5.900 289 HA ARG 38 HA ARG 38 9.143 6.284 -6.862 290 HB2 ARG 38 HB3 ARG 38 8.054 4.886 -4.416 291 HB3 ARG 38 HB2 ARG 38 9.768 4.983 -4.801 292 HG2 ARG 38 HG3 ARG 38 9.451 7.509 -4.836 293 HG3 ARG 38 HG2 ARG 38 7.893 7.205 -4.066 294 HD2 ARG 38 HD3 ARG 38 8.865 6.929 -2.086 295 HD3 ARG 38 HD2 ARG 38 9.953 5.707 -2.742 296 HE ARG 38 HE ARG 38 11.566 7.285 -2.455 297 HH11 ARG 38 HH11 ARG 38 8.652 8.877 -3.500 298 HH12 ARG 38 HH12 ARG 38 9.386 10.443 -3.595 299 HH21 ARG 38 HH21 ARG 38 12.544 9.341 -2.575 300 HH22 ARG 38 HH22 ARG 38 11.600 10.707 -3.069 301 H LYS 39 H LYS 39 10.594 4.328 -6.836 302 HA LYS 39 HA LYS 39 9.873 2.569 -8.846 303 HB2 LYS 39 HB3 LYS 39 12.229 2.971 -8.257 304 HB3 LYS 39 HB2 LYS 39 11.994 2.141 -6.732 305 HG2 LYS 39 HG3 LYS 39 12.997 1.113 -9.055 306 HG3 LYS 39 HG2 LYS 39 12.314 0.160 -7.783 307 HD2 LYS 39 HD3 LYS 39 11.267 -0.476 -9.967 308 HD3 LYS 39 HD2 LYS 39 10.049 0.266 -8.857 309 HE2 LYS 39 HE3 LYS 39 10.697 2.456 -9.996 310 HE3 LYS 39 HE2 LYS 39 11.502 1.407 -11.217 311 HZ1 LYS 39 HZ1 LYS 39 9.451 0.649 -11.975 312 HZ2 LYS 39 HZ2 LYS 39 8.980 2.136 -11.420 313 HZ3 LYS 39 HZ3 LYS 39 8.733 0.704 -10.478 314 H THR 40 H THR 40 10.929 0.885 -5.964 315 HA THR 40 HA THR 40 8.420 0.016 -5.227 316 HB THR 40 HB THR 40 8.919 -2.252 -5.000 317 HG1 THR 40 HG1 THR 40 10.399 -3.447 -5.904 318 HG21 THR 40 HG21 THR 40 8.597 -2.010 -7.751 319 HG22 THR 40 HG22 THR 40 8.883 -2.847 -6.540 320 HG23 THR 40 HG23 THR 40 7.492 -2.865 -6.237 321 H GLY 41 H GLY 41 8.317 0.409 -3.429 322 HA2 GLY 41 HA3 GLY 41 8.798 0.423 -1.185 323 HA3 GLY 41 HA2 GLY 41 9.453 -1.182 -1.465 324 H GLN 42 H GLN 42 10.747 1.834 -2.753 325 HA GLN 42 HA GLN 42 13.243 1.317 -1.456 326 HB2 GLN 42 HB3 GLN 42 13.775 3.318 -3.223 327 HB3 GLN 42 HB2 GLN 42 13.940 1.626 -3.566 328 HG2 GLN 42 HG3 GLN 42 12.718 2.828 -5.315 329 HG3 GLN 42 HG2 GLN 42 11.869 1.523 -4.652 330 HE21 GLN 42 HE21 GLN 42 9.788 2.045 -4.670 331 HE22 GLN 42 HE22 GLN 42 9.121 3.505 -4.144 332 H ALA 43 H ALA 43 11.271 2.273 0.205 333 HA ALA 43 HA ALA 43 11.059 5.073 0.415 334 HB1 ALA 43 HB1 ALA 43 11.235 4.222 3.030 335 HB2 ALA 43 HB2 ALA 43 10.650 2.792 2.165 336 HB3 ALA 43 HB3 ALA 43 9.805 4.332 2.021 337 HA PRO 44 HA PRO 44 14.944 6.483 2.027 338 HB2 PRO 44 HB3 PRO 44 14.310 8.209 4.014 339 HB3 PRO 44 HB2 PRO 44 13.842 8.581 2.339 340 HG2 PRO 44 HG3 PRO 44 12.243 7.395 4.577 341 HG3 PRO 44 HG2 PRO 44 11.747 8.617 3.380 342 HD2 PRO 44 HD3 PRO 44 11.081 5.902 3.271 343 HD3 PRO 44 HD2 PRO 44 11.246 7.073 1.796 344 H GLY 45 H GLY 45 14.070 7.070 5.241 345 HA2 GLY 45 HA3 GLY 45 16.080 5.301 6.193 346 HA3 GLY 45 HA2 GLY 45 14.864 6.257 7.208 347 H PHE 46 H PHE 46 13.232 4.465 4.976 348 HA PHE 46 HA PHE 46 12.299 2.662 7.026 349 HB2 PHE 46 HB3 PHE 46 10.699 3.694 5.485 350 HB3 PHE 46 HB2 PHE 46 11.502 2.921 4.121 351 HD1 PHE 46 HD1 PHE 46 9.678 2.186 7.265 352 HD2 PHE 46 HD2 PHE 46 10.860 0.798 3.423 353 HE1 PHE 46 HE1 PHE 46 8.221 0.221 7.532 354 HE2 PHE 46 HE2 PHE 46 9.406 -1.168 3.682 355 HZ PHE 46 HZ PHE 46 8.084 -1.460 5.737 356 H THR 47 H THR 47 12.754 0.515 7.200 357 HA THR 47 HA THR 47 14.917 -0.548 5.699 358 HB THR 47 HB THR 47 13.962 -0.949 8.259 359 HG1 THR 47 HG1 THR 47 15.627 -2.507 8.336 360 HG21 THR 47 HG21 THR 47 13.629 -3.385 8.379 361 HG22 THR 47 HG22 THR 47 13.388 -3.379 6.607 362 HG23 THR 47 HG23 THR 47 12.219 -2.500 7.724 363 H TYR 48 H TYR 48 14.395 -1.063 3.661 364 HA TYR 48 HA TYR 48 11.880 -2.238 2.882 365 HB2 TYR 48 HB3 TYR 48 13.774 -2.690 0.930 366 HB3 TYR 48 HB2 TYR 48 12.555 -1.501 0.884 367 HD1 TYR 48 HD1 TYR 48 15.991 -2.060 2.266 368 HD2 TYR 48 HD2 TYR 48 13.178 0.750 0.828 369 HE1 TYR 48 HE1 TYR 48 17.709 -0.305 2.383 370 HE2 TYR 48 HE2 TYR 48 14.895 2.534 0.894 371 HH TYR 48 HH TYR 48 17.933 1.964 2.385 372 H THR 49 H THR 49 11.599 -4.212 1.774 373 HA THR 49 HA THR 49 12.852 -6.377 3.269 374 HB THR 49 HB THR 49 11.219 -7.810 2.195 375 HG1 THR 49 HG1 THR 49 9.787 -6.756 0.589 376 HG21 THR 49 HG21 THR 49 9.357 -5.620 2.313 377 HG22 THR 49 HG22 THR 49 10.469 -5.645 3.749 378 HG23 THR 49 HG23 THR 49 9.468 -7.100 3.307 379 H ASP 50 H ASP 50 13.538 -8.386 1.869 380 HA ASP 50 HA ASP 50 15.818 -7.726 0.439 381 HB2 ASP 50 HB3 ASP 50 15.842 -9.936 1.102 382 HB3 ASP 50 HB2 ASP 50 14.151 -10.191 0.680 383 H ALA 51 H ALA 51 12.553 -8.160 -0.697 384 HA ALA 51 HA ALA 51 13.143 -8.083 -3.451 385 HB1 ALA 51 HB1 ALA 51 10.936 -8.721 -3.597 386 HB2 ALA 51 HB2 ALA 51 10.434 -7.202 -2.935 387 HB3 ALA 51 HB3 ALA 51 10.849 -8.556 -1.875 388 H ASN 52 H ASN 52 11.951 -5.645 -1.061 389 HA ASN 52 HA ASN 52 11.738 -3.540 -2.911 390 HB2 ASN 52 HB3 ASN 52 12.395 -3.545 0.020 391 HB3 ASN 52 HB2 ASN 52 11.908 -2.086 -0.960 392 HD21 ASN 52 HD21 ASN 52 10.144 -4.150 -2.462 393 HD22 ASN 52 HD22 ASN 52 8.723 -4.159 -1.443 394 H LYS 53 H LYS 53 14.459 -4.606 -1.021 395 HA LYS 53 HA LYS 53 16.255 -2.517 -1.713 396 HB2 LYS 53 HB3 LYS 53 18.026 -4.164 -1.163 397 HB3 LYS 53 HB2 LYS 53 16.820 -3.885 0.063 398 HG2 LYS 53 HG3 LYS 53 15.724 -5.893 -0.364 399 HG3 LYS 53 HG2 LYS 53 16.724 -6.170 -1.825 400 HD2 LYS 53 HD3 LYS 53 17.810 -7.605 -0.371 401 HD3 LYS 53 HD2 LYS 53 18.728 -6.054 -0.107 402 HE2 LYS 53 HE3 LYS 53 18.176 -6.121 2.011 403 HE3 LYS 53 HE2 LYS 53 16.497 -6.020 1.626 404 HZ1 LYS 53 HZ1 LYS 53 17.997 -8.240 2.629 405 HZ2 LYS 53 HZ2 LYS 53 17.157 -8.628 1.117 406 HZ3 LYS 53 HZ3 LYS 53 16.264 -8.054 2.533 407 H ASN 54 H ASN 54 15.227 -5.445 -3.373 408 HA ASN 54 HA ASN 54 17.297 -5.329 -5.376 409 HB2 ASN 54 HB3 ASN 54 14.647 -6.788 -5.359 410 HB3 ASN 54 HB2 ASN 54 16.009 -7.063 -6.471 411 HD21 ASN 54 HD21 ASN 54 17.326 -6.299 -3.608 412 HD22 ASN 54 HD22 ASN 54 17.585 -7.942 -2.971 413 H LYS 55 H LYS 55 14.381 -3.662 -4.833 414 HA LYS 55 HA LYS 55 13.312 -1.931 -5.895 415 HB2 LYS 55 HB3 LYS 55 15.649 -2.483 -7.786 416 HB3 LYS 55 HB2 LYS 55 14.393 -1.268 -8.170 417 HG2 LYS 55 HG3 LYS 55 15.211 0.266 -6.736 418 HG3 LYS 55 HG2 LYS 55 15.520 -1.049 -5.497 419 HD2 LYS 55 HD3 LYS 55 17.245 -0.195 -7.829 420 HD3 LYS 55 HD2 LYS 55 17.646 -0.095 -6.113 421 HE2 LYS 55 HE3 LYS 55 17.249 -2.698 -6.247 422 HE3 LYS 55 HE2 LYS 55 17.582 -2.449 -7.999 423 HZ1 LYS 55 HZ1 LYS 55 19.575 -2.933 -7.073 424 HZ2 LYS 55 HZ2 LYS 55 19.395 -2.034 -5.690 425 HZ3 LYS 55 HZ3 LYS 55 19.582 -1.267 -7.151 426 H GLY 56 H GLY 56 11.838 -4.050 -5.993 427 HA2 GLY 56 HA3 GLY 56 11.502 -5.534 -8.257 428 HA3 GLY 56 HA2 GLY 56 10.163 -5.132 -7.116 429 H ILE 57 H ILE 57 8.642 -3.738 -7.713 430 HA ILE 57 HA ILE 57 9.166 -1.943 -9.914 431 HB ILE 57 HB ILE 57 7.953 -4.285 -10.564 432 HG12 ILE 57 HG13 ILE 57 8.872 -3.124 -12.333 433 HG13 ILE 57 HG12 ILE 57 7.208 -2.848 -12.602 434 HG21 ILE 57 HG21 ILE 57 5.855 -3.982 -9.529 435 HG22 ILE 57 HG22 ILE 57 5.648 -3.570 -11.245 436 HG23 ILE 57 HG23 ILE 57 5.866 -2.207 -10.093 437 HD11 ILE 57 HD11 ILE 57 7.451 -0.582 -12.056 438 HD12 ILE 57 HD12 ILE 57 9.081 -0.892 -12.538 439 HD13 ILE 57 HD13 ILE 57 8.628 -0.974 -10.800 440 H THR 58 H THR 58 7.114 -0.485 -10.367 441 HA THR 58 HA THR 58 6.244 0.509 -7.844 442 HB THR 58 HB THR 58 6.729 1.576 -10.392 443 HG1 THR 58 HG1 THR 58 6.217 3.517 -9.344 444 HG21 THR 58 HG21 THR 58 4.370 1.037 -10.950 445 HG22 THR 58 HG22 THR 58 4.775 2.777 -11.017 446 HG23 THR 58 HG23 THR 58 3.873 2.079 -9.633 447 H TRP 59 H TRP 59 4.590 -0.186 -6.881 448 HA TRP 59 HA TRP 59 2.658 -1.907 -8.037 449 HB2 TRP 59 HB3 TRP 59 1.938 -0.546 -5.505 450 HB3 TRP 59 HB2 TRP 59 1.965 -2.216 -5.819 451 HD1 TRP 59 HD1 TRP 59 4.398 0.591 -4.847 452 HE1 TRP 59 HE1 TRP 59 6.438 -0.509 -3.729 453 HE3 TRP 59 HE3 TRP 59 3.228 -4.320 -5.596 454 HZ2 TRP 59 HZ2 TRP 59 7.411 -3.164 -3.233 455 HZ3 TRP 59 HZ3 TRP 59 4.792 -6.059 -4.749 456 HH2 TRP 59 HH2 TRP 59 6.876 -5.468 -3.632 457 H LYS 60 H LYS 60 1.251 -1.223 -9.452 458 HA LYS 60 HA LYS 60 0.012 1.479 -9.178 459 HB2 LYS 60 HB3 LYS 60 0.359 1.517 -11.344 460 HB3 LYS 60 HB2 LYS 60 1.001 -0.075 -11.411 461 HG2 LYS 60 HG3 LYS 60 -0.738 -0.452 -12.783 462 HG3 LYS 60 HG2 LYS 60 -1.713 -0.526 -11.352 463 HD2 LYS 60 HD3 LYS 60 -2.819 1.393 -11.688 464 HD3 LYS 60 HD2 LYS 60 -1.354 2.266 -12.193 465 HE2 LYS 60 HE3 LYS 60 -1.989 0.279 -14.158 466 HE3 LYS 60 HE2 LYS 60 -3.438 1.179 -13.801 467 HZ1 LYS 60 HZ1 LYS 60 -1.528 1.993 -15.496 468 HZ2 LYS 60 HZ2 LYS 60 -1.142 2.902 -14.020 469 HZ3 LYS 60 HZ3 LYS 60 -2.724 3.042 -14.723 470 H GLU 61 H GLU 61 -2.308 1.531 -10.032 471 HA GLU 61 HA GLU 61 -3.900 -0.066 -8.297 472 HB2 GLU 61 HB3 GLU 61 -4.282 2.173 -9.963 473 HB3 GLU 61 HB2 GLU 61 -5.326 0.936 -10.629 474 HG2 GLU 61 HG3 GLU 61 -5.606 0.886 -7.810 475 HG3 GLU 61 HG2 GLU 61 -5.738 2.608 -8.394 476 H GLU 62 H GLU 62 -3.683 -0.271 -11.881 477 HA GLU 62 HA GLU 62 -5.296 -2.525 -12.101 478 HB2 GLU 62 HB3 GLU 62 -4.810 -2.529 -14.323 479 HB3 GLU 62 HB2 GLU 62 -4.362 -0.862 -13.850 480 HG2 GLU 62 HG3 GLU 62 -2.015 -1.418 -13.658 481 HG3 GLU 62 HG2 GLU 62 -2.460 -3.047 -14.264 482 H THR 63 H THR 63 -1.782 -2.136 -11.852 483 HA THR 63 HA THR 63 -1.116 -4.834 -12.188 484 HB THR 63 HB THR 63 0.283 -2.480 -11.648 485 HG1 THR 63 HG1 THR 63 1.549 -3.566 -12.894 486 HG21 THR 63 HG21 THR 63 1.730 -2.798 -10.021 487 HG22 THR 63 HG22 THR 63 1.500 -4.572 -9.915 488 HG23 THR 63 HG23 THR 63 0.311 -3.421 -9.281 489 H LEU 64 H LEU 64 -2.218 -3.091 -9.461 490 HA LEU 64 HA LEU 64 -1.478 -5.017 -7.426 491 HB2 LEU 64 HB3 LEU 64 -2.936 -2.508 -7.603 492 HB3 LEU 64 HB2 LEU 64 -3.595 -3.592 -6.489 493 HG LEU 64 HG LEU 64 -0.828 -2.592 -6.452 494 HD11 LEU 64 HD11 LEU 64 -1.889 -0.866 -5.472 495 HD12 LEU 64 HD12 LEU 64 -1.835 -1.883 -4.128 496 HD13 LEU 64 HD13 LEU 64 -3.286 -1.835 -5.004 497 HD21 LEU 64 HD21 LEU 64 -0.552 -3.895 -4.384 498 HD22 LEU 64 HD22 LEU 64 -1.072 -4.926 -5.701 499 HD23 LEU 64 HD23 LEU 64 -2.185 -4.448 -4.501 500 H MET 65 H MET 65 -4.323 -4.489 -9.523 501 HA MET 65 HA MET 65 -6.108 -6.188 -8.164 502 HB2 MET 65 HB3 MET 65 -5.775 -5.350 -11.071 503 HB3 MET 65 HB2 MET 65 -7.088 -6.359 -10.521 504 HG2 MET 65 HG3 MET 65 -6.532 -3.484 -9.738 505 HG3 MET 65 HG2 MET 65 -7.943 -4.114 -10.641 506 HE1 MET 65 HE1 MET 65 -6.424 -3.107 -7.406 507 HE2 MET 65 HE2 MET 65 -6.043 -4.710 -7.153 508 HE3 MET 65 HE3 MET 65 -7.228 -3.943 -6.110 509 H GLU 66 H GLU 66 -3.689 -6.812 -10.711 510 HA GLU 66 HA GLU 66 -4.346 -9.608 -10.877 511 HB2 GLU 66 HB3 GLU 66 -2.112 -9.645 -12.176 512 HB3 GLU 66 HB2 GLU 66 -3.469 -8.770 -12.873 513 HG2 GLU 66 HG3 GLU 66 -2.556 -6.670 -12.118 514 HG3 GLU 66 HG2 GLU 66 -1.240 -7.507 -11.293 515 H TYR 67 H TYR 67 -1.941 -7.622 -9.264 516 HA TYR 67 HA TYR 67 -0.242 -9.665 -8.357 517 HB2 TYR 67 HB3 TYR 67 0.756 -7.638 -8.032 518 HB3 TYR 67 HB2 TYR 67 -0.759 -6.836 -7.638 519 HD1 TYR 67 HD1 TYR 67 2.138 -8.588 -6.320 520 HD2 TYR 67 HD2 TYR 67 -1.669 -6.954 -5.348 521 HE1 TYR 67 HE1 TYR 67 2.719 -8.667 -3.931 522 HE2 TYR 67 HE2 TYR 67 -1.096 -7.027 -2.957 523 HH TYR 67 HH TYR 67 0.725 -7.179 -1.503 524 H LEU 68 H LEU 68 -3.373 -8.669 -7.373 525 HA LEU 68 HA LEU 68 -3.299 -9.548 -4.647 526 HB2 LEU 68 HB3 LEU 68 -5.552 -9.182 -6.660 527 HB3 LEU 68 HB2 LEU 68 -5.819 -9.795 -5.130 528 HG LEU 68 HG LEU 68 -4.621 -7.163 -5.503 529 HD11 LEU 68 HD11 LEU 68 -6.686 -6.143 -5.122 530 HD12 LEU 68 HD12 LEU 68 -7.447 -7.701 -4.840 531 HD13 LEU 68 HD13 LEU 68 -6.939 -7.288 -6.467 532 HD21 LEU 68 HD21 LEU 68 -4.064 -8.102 -3.415 533 HD22 LEU 68 HD22 LEU 68 -5.750 -8.441 -3.152 534 HD23 LEU 68 HD23 LEU 68 -5.207 -6.763 -3.168 535 H GLU 69 H GLU 69 -3.163 -11.253 -7.534 536 HA GLU 69 HA GLU 69 -4.586 -13.601 -6.854 537 HB2 GLU 69 HB3 GLU 69 -3.176 -12.731 -9.087 538 HB3 GLU 69 HB2 GLU 69 -2.144 -14.050 -8.510 539 HG2 GLU 69 HG3 GLU 69 -4.004 -15.607 -8.556 540 HG3 GLU 69 HG2 GLU 69 -5.066 -14.307 -9.188 541 H ASN 70 H ASN 70 -1.035 -13.553 -7.202 542 HA ASN 70 HA ASN 70 -0.862 -15.111 -4.707 543 HB2 ASN 70 HB3 ASN 70 0.549 -15.408 -7.331 544 HB3 ASN 70 HB2 ASN 70 1.368 -15.907 -5.852 545 HD21 ASN 70 HD21 ASN 70 -0.970 -16.688 -8.194 546 HD22 ASN 70 HD22 ASN 70 -1.506 -18.179 -7.504 547 HA PRO 71 HA PRO 71 1.188 -11.130 -3.674 548 HB2 PRO 71 HB3 PRO 71 1.106 -12.613 -1.037 549 HB3 PRO 71 HB2 PRO 71 0.698 -10.888 -1.384 550 HG2 PRO 71 HG3 PRO 71 -1.138 -12.751 -0.939 551 HG3 PRO 71 HG2 PRO 71 -1.342 -11.493 -2.256 552 HD2 PRO 71 HD3 PRO 71 -0.715 -14.331 -2.550 553 HD3 PRO 71 HD2 PRO 71 -1.706 -13.342 -3.560 554 H LYS 72 H LYS 72 2.134 -14.454 -2.920 555 HA LYS 72 HA LYS 72 4.786 -13.694 -2.282 556 HB2 LYS 72 HB3 LYS 72 4.841 -15.748 -1.317 557 HB3 LYS 72 HB2 LYS 72 3.152 -16.010 -1.892 558 HG2 LYS 72 HG3 LYS 72 4.092 -17.855 -2.772 559 HG3 LYS 72 HG2 LYS 72 4.380 -16.723 -4.093 560 HD2 LYS 72 HD3 LYS 72 6.500 -16.392 -2.280 561 HD3 LYS 72 HD2 LYS 72 6.376 -18.135 -2.719 562 HE2 LYS 72 HE3 LYS 72 6.058 -16.693 -5.166 563 HE3 LYS 72 HE2 LYS 72 7.457 -16.003 -4.284 564 HZ1 LYS 72 HZ1 LYS 72 8.340 -18.212 -4.157 565 HZ2 LYS 72 HZ2 LYS 72 8.071 -17.813 -5.799 566 HZ3 LYS 72 HZ3 LYS 72 7.033 -18.893 -4.859 567 H LYS 73 H LYS 73 2.982 -14.583 -5.112 568 HA LYS 73 HA LYS 73 5.179 -15.510 -6.668 569 HB2 LYS 73 HB3 LYS 73 3.726 -15.589 -8.436 570 HB3 LYS 73 HB2 LYS 73 2.617 -15.630 -7.059 571 HG2 LYS 73 HG3 LYS 73 1.537 -14.071 -8.188 572 HG3 LYS 73 HG2 LYS 73 2.680 -13.024 -7.372 573 HD2 LYS 73 HD3 LYS 73 2.272 -12.703 -9.829 574 HD3 LYS 73 HD2 LYS 73 3.933 -12.824 -9.309 575 HE2 LYS 73 HE3 LYS 73 3.476 -14.249 -11.334 576 HE3 LYS 73 HE2 LYS 73 4.180 -15.096 -10.046 577 HZ1 LYS 73 HZ1 LYS 73 1.815 -15.680 -9.410 578 HZ2 LYS 73 HZ2 LYS 73 2.452 -16.390 -10.806 579 HZ3 LYS 73 HZ3 LYS 73 1.406 -15.140 -10.900 580 H TYR 74 H TYR 74 3.946 -12.359 -5.936 581 HA TYR 74 HA TYR 74 5.421 -10.959 -7.969 582 HB2 TYR 74 HB3 TYR 74 3.471 -10.190 -5.794 583 HB3 TYR 74 HB2 TYR 74 4.749 -8.986 -6.213 584 HD1 TYR 74 HD1 TYR 74 2.156 -11.305 -7.838 585 HD2 TYR 74 HD2 TYR 74 4.369 -7.581 -8.144 586 HE1 TYR 74 HE1 TYR 74 0.876 -10.699 -9.756 587 HE2 TYR 74 HE2 TYR 74 3.092 -6.982 -10.094 588 HH TYR 74 HH TYR 74 0.821 -9.204 -11.610 589 H ILE 75 H ILE 75 5.667 -11.390 -4.404 590 HA ILE 75 HA ILE 75 8.499 -10.619 -4.567 591 HB ILE 75 HB ILE 75 6.425 -9.676 -2.594 592 HG12 ILE 75 HG13 ILE 75 6.588 -8.135 -4.281 593 HG13 ILE 75 HG12 ILE 75 7.706 -7.512 -3.170 594 HG21 ILE 75 HG21 ILE 75 8.505 -8.565 -1.443 595 HG22 ILE 75 HG22 ILE 75 9.475 -9.752 -2.375 596 HG23 ILE 75 HG23 ILE 75 8.284 -10.332 -1.273 597 HD11 ILE 75 HD11 ILE 75 9.000 -7.392 -4.964 598 HD12 ILE 75 HD12 ILE 75 8.103 -8.518 -5.886 599 HD13 ILE 75 HD13 ILE 75 9.290 -9.152 -4.698 600 HA PRO 76 HA PRO 76 7.972 -14.832 -2.671 601 HB2 PRO 76 HB3 PRO 76 10.682 -15.045 -3.859 602 HB3 PRO 76 HB2 PRO 76 9.326 -16.174 -3.940 603 HG2 PRO 76 HG3 PRO 76 10.008 -14.698 -6.055 604 HG3 PRO 76 HG2 PRO 76 8.307 -15.033 -5.681 605 HD2 PRO 76 HD3 PRO 76 9.896 -12.541 -5.221 606 HD3 PRO 76 HD2 PRO 76 8.207 -12.723 -5.744 607 H GLY 77 H GLY 77 8.605 -15.268 -0.610 608 HA2 GLY 77 HA3 GLY 77 10.376 -15.497 1.019 609 HA3 GLY 77 HA2 GLY 77 11.132 -14.037 0.331 610 H THR 78 H THR 78 8.225 -12.835 0.174 611 HA THR 78 HA THR 78 8.345 -11.854 2.917 612 HB THR 78 HB THR 78 8.175 -10.575 0.545 613 HG1 THR 78 HG1 THR 78 7.227 -9.541 3.029 614 HG21 THR 78 HG21 THR 78 5.705 -11.363 0.443 615 HG22 THR 78 HG22 THR 78 6.073 -9.593 0.140 616 HG23 THR 78 HG23 THR 78 5.498 -10.102 1.726 617 H LYS 79 H LYS 79 6.819 -12.326 4.352 618 HA LYS 79 HA LYS 79 4.407 -13.752 3.394 619 HB2 LYS 79 HB3 LYS 79 6.141 -14.788 5.144 620 HB3 LYS 79 HB2 LYS 79 5.338 -13.737 6.285 621 HG2 LYS 79 HG3 LYS 79 4.500 -16.179 5.911 622 HG3 LYS 79 HG2 LYS 79 3.270 -14.907 6.206 623 HD2 LYS 79 HD3 LYS 79 2.804 -16.453 4.351 624 HD3 LYS 79 HD2 LYS 79 2.934 -14.794 3.773 625 HE2 LYS 79 HE3 LYS 79 4.064 -16.421 2.308 626 HE3 LYS 79 HE2 LYS 79 5.158 -15.196 2.949 627 HZ1 LYS 79 HZ1 LYS 79 6.043 -17.465 2.948 628 HZ2 LYS 79 HZ2 LYS 79 4.802 -17.937 4.066 629 HZ3 LYS 79 HZ3 LYS 79 6.009 -16.790 4.529 630 H MET 80 H MET 80 2.329 -12.987 4.064 631 HA MET 80 HA MET 80 2.383 -10.370 5.437 632 HB2 MET 80 HB3 MET 80 1.291 -10.783 3.103 633 HB3 MET 80 HB2 MET 80 0.065 -11.666 4.015 634 HG2 MET 80 HG3 MET 80 -0.881 -9.519 3.965 635 HG3 MET 80 HG2 MET 80 -0.048 -9.395 5.442 636 HE1 MET 80 HE1 MET 80 2.084 -9.501 2.140 637 HE2 MET 80 HE2 MET 80 1.912 -7.919 1.582 638 HE3 MET 80 HE3 MET 80 0.537 -8.987 1.564 639 H ILE 81 H ILE 81 2.087 -10.455 7.120 640 HA ILE 81 HA ILE 81 0.243 -12.500 8.619 641 HB ILE 81 HB ILE 81 2.241 -10.524 9.937 642 HG12 ILE 81 HG13 ILE 81 3.132 -13.048 10.491 643 HG13 ILE 81 HG12 ILE 81 2.263 -13.414 8.993 644 HG21 ILE 81 HG21 ILE 81 1.202 -12.842 11.553 645 HG22 ILE 81 HG22 ILE 81 0.121 -11.507 11.310 646 HG23 ILE 81 HG23 ILE 81 1.708 -11.220 12.039 647 HD11 ILE 81 HD11 ILE 81 4.320 -12.941 8.167 648 HD12 ILE 81 HD12 ILE 81 4.699 -11.767 9.363 649 HD13 ILE 81 HD13 ILE 81 3.568 -11.383 8.069 650 H PHE 82 H PHE 82 -1.685 -11.882 9.765 651 HA PHE 82 HA PHE 82 -3.225 -10.567 10.877 652 HB2 PHE 82 HB3 PHE 82 -1.133 -9.093 11.420 653 HB3 PHE 82 HB2 PHE 82 -1.759 -8.057 10.141 654 HD1 PHE 82 HD1 PHE 82 -2.368 -9.400 13.495 655 HD2 PHE 82 HD2 PHE 82 -3.767 -6.779 10.447 656 HE1 PHE 82 HE1 PHE 82 -3.910 -8.359 15.104 657 HE2 PHE 82 HE2 PHE 82 -5.311 -5.732 12.051 658 HZ PHE 82 HZ PHE 82 -5.384 -6.522 14.383 659 H ALA 83 H ALA 83 -4.866 -8.919 10.287 660 HA ALA 83 HA ALA 83 -5.441 -7.457 8.155 661 HB1 ALA 83 HB1 ALA 83 -6.186 -9.319 6.371 662 HB2 ALA 83 HB2 ALA 83 -4.814 -10.243 7.096 663 HB3 ALA 83 HB3 ALA 83 -4.460 -8.643 6.456 664 H GLY 84 H GLY 84 -7.101 -7.090 9.616 665 HA2 GLY 84 HA3 GLY 84 -9.158 -8.979 10.161 666 HA3 GLY 84 HA2 GLY 84 -9.173 -7.356 10.662 667 H ILE 85 H ILE 85 -8.558 -7.818 7.359 668 HA ILE 85 HA ILE 85 -11.348 -7.504 6.645 669 HB ILE 85 HB ILE 85 -9.053 -5.797 5.518 670 HG12 ILE 85 HG13 ILE 85 -10.571 -5.432 7.746 671 HG13 ILE 85 HG12 ILE 85 -9.609 -4.203 6.916 672 HG21 ILE 85 HG21 ILE 85 -11.954 -5.731 4.763 673 HG22 ILE 85 HG22 ILE 85 -10.692 -6.471 3.775 674 HG23 ILE 85 HG23 ILE 85 -10.719 -4.718 4.188 675 HD11 ILE 85 HD11 ILE 85 -11.745 -3.922 5.502 676 HD12 ILE 85 HD12 ILE 85 -11.656 -3.213 7.111 677 HD13 ILE 85 HD13 ILE 85 -12.586 -4.658 6.912 678 H LYS 86 H LYS 86 -12.015 -8.261 4.612 679 HA LYS 86 HA LYS 86 -10.018 -9.579 2.937 680 HB2 LYS 86 HB3 LYS 86 -11.648 -11.615 2.956 681 HB3 LYS 86 HB2 LYS 86 -10.257 -11.466 4.102 682 HG2 LYS 86 HG3 LYS 86 -12.537 -10.139 5.229 683 HG3 LYS 86 HG2 LYS 86 -13.000 -11.754 4.720 684 HD2 LYS 86 HD3 LYS 86 -11.533 -12.811 6.132 685 HD3 LYS 86 HD2 LYS 86 -10.483 -11.443 6.178 686 HE2 LYS 86 HE3 LYS 86 -12.558 -10.307 7.373 687 HE3 LYS 86 HE2 LYS 86 -13.033 -11.924 7.676 688 HZ1 LYS 86 HZ1 LYS 86 -10.325 -10.997 8.384 689 HZ2 LYS 86 HZ2 LYS 86 -11.131 -12.281 8.959 690 HZ3 LYS 86 HZ3 LYS 86 -11.618 -10.718 9.477 691 H LYS 87 H LYS 87 -13.407 -8.902 3.638 692 HA LYS 87 HA LYS 87 -14.693 -9.479 1.401 693 HB2 LYS 87 HB3 LYS 87 -14.989 -7.558 3.379 694 HB3 LYS 87 HB2 LYS 87 -15.183 -6.654 1.884 695 HG2 LYS 87 HG3 LYS 87 -17.300 -7.341 1.849 696 HG3 LYS 87 HG2 LYS 87 -16.673 -9.059 1.589 697 HD2 LYS 87 HD3 LYS 87 -16.537 -9.120 4.089 698 HD3 LYS 87 HD2 LYS 87 -17.537 -7.694 4.179 699 HE2 LYS 87 HE3 LYS 87 -18.830 -9.776 4.454 700 HE3 LYS 87 HE2 LYS 87 -19.284 -8.726 3.099 701 HZ1 LYS 87 HZ1 LYS 87 -19.077 -11.205 2.729 702 HZ2 LYS 87 HZ2 LYS 87 -17.409 -10.894 2.582 703 HZ3 LYS 87 HZ3 LYS 87 -18.511 -10.161 1.585 704 H LYS 88 H LYS 88 -14.304 -9.339 -0.750 705 HA LYS 88 HA LYS 88 -12.200 -7.913 -1.904 706 HB2 LYS 88 HB3 LYS 88 -13.395 -9.740 -3.057 707 HB3 LYS 88 HB2 LYS 88 -14.844 -8.698 -3.106 708 HG2 LYS 88 HG3 LYS 88 -13.867 -7.281 -4.669 709 HG3 LYS 88 HG2 LYS 88 -12.253 -7.924 -4.440 710 HD2 LYS 88 HD3 LYS 88 -14.462 -8.850 -6.055 711 HD3 LYS 88 HD2 LYS 88 -12.768 -9.082 -6.243 712 HE2 LYS 88 HE3 LYS 88 -13.729 -11.227 -5.936 713 HE3 LYS 88 HE2 LYS 88 -12.745 -10.812 -4.509 714 HZ1 LYS 88 HZ1 LYS 88 -15.388 -11.593 -4.572 715 HZ2 LYS 88 HZ2 LYS 88 -15.435 -9.961 -4.256 716 HZ3 LYS 88 HZ3 LYS 88 -14.561 -10.945 -3.246 717 H THR 89 H THR 89 -15.545 -6.912 -1.256 718 HA THR 89 HA THR 89 -15.369 -4.442 -2.823 719 HB THR 89 HB THR 89 -17.487 -4.028 -2.064 720 HG1 THR 89 HG1 THR 89 -17.382 -3.755 0.078 721 HG21 THR 89 HG21 THR 89 -17.382 -6.993 -1.352 722 HG22 THR 89 HG22 THR 89 -17.433 -6.334 -3.019 723 HG23 THR 89 HG23 THR 89 -18.791 -6.024 -1.871 724 H GLU 90 H GLU 90 -14.464 -5.364 0.522 725 HA GLU 90 HA GLU 90 -14.269 -2.697 1.439 726 HB2 GLU 90 HB3 GLU 90 -13.066 -5.272 2.568 727 HB3 GLU 90 HB2 GLU 90 -13.201 -3.737 3.378 728 HG2 GLU 90 HG3 GLU 90 -15.704 -4.954 2.333 729 HG3 GLU 90 HG2 GLU 90 -14.939 -5.800 3.562 730 H ARG 91 H ARG 91 -11.961 -5.199 0.364 731 HA ARG 91 HA ARG 91 -9.640 -3.667 0.743 732 HB2 ARG 91 HB3 ARG 91 -10.196 -5.916 -1.218 733 HB3 ARG 91 HB2 ARG 91 -8.612 -5.035 -1.075 734 HG2 ARG 91 HG3 ARG 91 -9.066 -5.737 1.427 735 HG3 ARG 91 HG2 ARG 91 -9.885 -7.121 0.666 736 HD2 ARG 91 HD3 ARG 91 -7.264 -6.890 -0.614 737 HD3 ARG 91 HD2 ARG 91 -7.156 -6.611 1.122 738 HE ARG 91 HE ARG 91 -8.426 -8.798 1.147 739 HH11 ARG 91 HH11 ARG 91 -6.010 -7.808 -1.161 740 HH12 ARG 91 HH12 ARG 91 -5.521 -9.385 -1.560 741 HH21 ARG 91 HH21 ARG 91 -7.780 -10.930 0.723 742 HH22 ARG 91 HH22 ARG 91 -6.560 -11.202 -0.423 743 H GLU 92 H GLU 92 -11.660 -4.155 -2.201 744 HA GLU 92 HA GLU 92 -10.181 -2.522 -3.919 745 HB2 GLU 92 HB3 GLU 92 -12.040 -4.119 -4.543 746 HB3 GLU 92 HB2 GLU 92 -13.175 -2.885 -4.015 747 HG2 GLU 92 HG3 GLU 92 -12.940 -2.785 -6.397 748 HG3 GLU 92 HG2 GLU 92 -12.227 -1.339 -5.682 749 H ASP 93 H ASP 93 -12.786 -1.743 -1.666 750 HA ASP 93 HA ASP 93 -13.215 0.914 -2.426 751 HB2 ASP 93 HB3 ASP 93 -14.821 -0.014 -0.920 752 HB3 ASP 93 HB2 ASP 93 -13.578 -0.531 0.184 753 H GLY 94 H GLY 94 -10.971 -0.421 -0.048 754 HA2 GLY 94 HA3 GLY 94 -9.968 1.955 0.868 755 HA3 GLY 94 HA2 GLY 94 -9.135 0.418 0.894 756 H ILE 95 H ILE 95 -9.120 0.022 -1.895 757 HA ILE 95 HA ILE 95 -6.711 1.272 -2.659 758 HB ILE 95 HB ILE 95 -8.652 -0.444 -3.982 759 HG12 ILE 95 HG13 ILE 95 -5.699 -0.451 -3.637 760 HG13 ILE 95 HG12 ILE 95 -6.888 -1.429 -2.840 761 HG21 ILE 95 HG21 ILE 95 -8.549 0.614 -5.907 762 HG22 ILE 95 HG22 ILE 95 -6.910 0.065 -6.063 763 HG23 ILE 95 HG23 ILE 95 -7.287 1.672 -5.402 764 HD11 ILE 95 HD11 ILE 95 -6.540 -1.472 -5.867 765 HD12 ILE 95 HD12 ILE 95 -7.285 -2.700 -4.823 766 HD13 ILE 95 HD13 ILE 95 -5.548 -2.458 -4.764 767 H ALA 96 H ALA 96 -10.116 2.012 -3.372 768 HA ALA 96 HA ALA 96 -9.661 3.986 -5.301 769 HB1 ALA 96 HB1 ALA 96 -11.878 3.196 -4.869 770 HB2 ALA 96 HB2 ALA 96 -11.822 4.943 -4.690 771 HB3 ALA 96 HB3 ALA 96 -11.775 3.791 -3.268 772 H TYR 97 H TYR 97 -9.876 4.294 -1.807 773 HA TYR 97 HA TYR 97 -9.445 7.063 -1.632 774 HB2 TYR 97 HB3 TYR 97 -10.268 5.966 0.308 775 HB3 TYR 97 HB2 TYR 97 -8.951 4.799 0.300 776 HD1 TYR 97 HD1 TYR 97 -8.001 5.114 2.424 777 HD2 TYR 97 HD2 TYR 97 -8.701 8.487 -0.072 778 HE1 TYR 97 HE1 TYR 97 -6.738 6.527 3.989 779 HE2 TYR 97 HE2 TYR 97 -7.439 9.910 1.486 780 HH TYR 97 HH TYR 97 -5.625 8.574 4.136 781 H LEU 98 H LEU 98 -7.228 4.343 -1.854 782 HA LEU 98 HA LEU 98 -4.846 5.700 -1.249 783 HB2 LEU 98 HB3 LEU 98 -5.668 3.067 -1.905 784 HB3 LEU 98 HB2 LEU 98 -4.581 3.521 -3.223 785 HG LEU 98 HG LEU 98 -3.778 3.727 -0.242 786 HD11 LEU 98 HD11 LEU 98 -2.369 1.664 -1.366 787 HD12 LEU 98 HD12 LEU 98 -3.979 1.419 -2.013 788 HD13 LEU 98 HD13 LEU 98 -3.666 1.502 -0.266 789 HD21 LEU 98 HD21 LEU 98 -2.283 3.915 -2.848 790 HD22 LEU 98 HD22 LEU 98 -1.453 3.731 -1.273 791 HD23 LEU 98 HD23 LEU 98 -2.512 5.117 -1.625 792 H LYS 99 H LYS 99 -6.660 5.282 -4.171 793 HA LYS 99 HA LYS 99 -4.810 6.078 -6.023 794 HB2 LYS 99 HB3 LYS 99 -7.741 6.685 -6.204 795 HB3 LYS 99 HB2 LYS 99 -6.584 6.442 -7.505 796 HG2 LYS 99 HG3 LYS 99 -7.529 4.344 -5.665 797 HG3 LYS 99 HG2 LYS 99 -8.066 4.520 -7.337 798 HD2 LYS 99 HD3 LYS 99 -6.298 2.829 -6.661 799 HD3 LYS 99 HD2 LYS 99 -5.415 4.389 -7.663 800 HE2 LYS 99 HE3 LYS 99 -4.196 3.634 -5.939 801 HE3 LYS 99 HE2 LYS 99 -5.649 3.850 -4.904 802 HZ1 LYS 99 HZ1 LYS 99 -4.323 1.512 -5.584 803 HZ2 LYS 99 HZ2 LYS 99 -5.859 1.505 -6.400 804 HZ3 LYS 99 HZ3 LYS 99 -5.715 1.616 -4.733 805 H LYS 100 H LYS 100 -7.123 7.950 -4.196 806 HA LYS 100 HA LYS 100 -6.300 10.525 -5.296 807 HB2 LYS 100 HB3 LYS 100 -8.371 10.911 -4.530 808 HB3 LYS 100 HB2 LYS 100 -8.283 9.502 -3.458 809 HG2 LYS 100 HG3 LYS 100 -6.952 10.797 -1.793 810 HG3 LYS 100 HG2 LYS 100 -7.111 12.292 -2.857 811 HD2 LYS 100 HD3 LYS 100 -9.286 10.758 -1.423 812 HD3 LYS 100 HD2 LYS 100 -8.796 12.394 -1.144 813 HE2 LYS 100 HE3 LYS 100 -9.960 11.435 -3.757 814 HE3 LYS 100 HE2 LYS 100 -11.004 12.029 -2.505 815 HZ1 LYS 100 HZ1 LYS 100 -9.483 13.513 -4.415 816 HZ2 LYS 100 HZ2 LYS 100 -8.923 13.894 -2.928 817 HZ3 LYS 100 HZ3 LYS 100 -10.600 14.101 -3.211 818 H ALA 101 H ALA 101 -5.641 8.568 -2.379 819 HA ALA 101 HA ALA 101 -4.190 10.465 -0.863 820 HB1 ALA 101 HB1 ALA 101 -3.511 7.566 -0.934 821 HB2 ALA 101 HB2 ALA 101 -5.060 8.091 -0.271 822 HB3 ALA 101 HB3 ALA 101 -3.575 8.681 0.523 823 H THR 102 H THR 102 -3.239 8.691 -3.721 824 HA THR 102 HA THR 102 -0.479 9.532 -3.250 825 HB THR 102 HB THR 102 -0.458 7.333 -3.857 826 HG1 THR 102 HG1 THR 102 -0.946 8.000 -5.580 827 HG21 THR 102 HG21 THR 102 -2.929 7.861 -5.255 828 HG22 THR 102 HG22 THR 102 -2.333 6.346 -4.468 829 HG23 THR 102 HG23 THR 102 -1.798 6.786 -6.149 830 H ASN 103 H ASN 103 -3.428 10.037 -4.886 831 HA ASN 103 HA ASN 103 -2.442 12.479 -6.099 832 HB2 ASN 103 HB3 ASN 103 -3.819 10.721 -8.072 833 HB3 ASN 103 HB2 ASN 103 -2.546 11.974 -8.389 834 HD21 ASN 103 HD21 ASN 103 -3.137 8.686 -7.333 835 HD22 ASN 103 HD22 ASN 103 -1.604 8.102 -7.626 836 H GLU 104 H GLU 104 -3.894 13.795 -5.318 837 HA GLU 104 HA GLU 104 -6.355 14.306 -6.311 838 HB2 GLU 104 HB3 GLU 104 -6.447 11.937 -4.446 839 HB3 GLU 104 HB2 GLU 104 -7.766 13.185 -4.393 840 HG2 GLU 104 HG3 GLU 104 -7.126 12.369 -7.086 841 HG3 GLU 104 HG2 GLU 104 -7.699 11.070 -6.125 842 HHA HEC 201 HHA HEC 201 5.229 -5.175 0.501 843 HHB HEC 201 HHB HEC 201 -0.334 -2.435 0.320 844 HHC HEC 201 HHC HEC 201 -2.010 -6.174 5.161 845 HHD HEC 201 HHD HEC 201 4.031 -6.014 6.818 846 HMA1 HEC 201 HMA1 HEC 201 1.030 -1.113 -1.156 847 HMA2 HEC 201 HMA2 HEC 201 2.617 -0.301 -0.646 848 HMA3 HEC 201 HMA3 HEC 201 2.439 -1.573 -1.526 849 HAA1 HEC 201 HAA1 HEC 201 5.100 -3.014 -1.384 850 HAA2 HEC 201 HAA2 HEC 201 5.707 -2.419 0.260 851 HBA1 HEC 201 HBA1 HEC 201 4.249 -0.392 -0.180 852 HBA2 HEC 201 HBA2 HEC 201 4.004 -0.930 -1.852 853 HMB1 HEC 201 HMB1 HEC 201 -3.561 -1.980 2.038 854 HMB2 HEC 201 HMB2 HEC 201 -3.631 -3.179 0.772 855 HMB3 HEC 201 HMB3 HEC 201 -2.361 -1.956 0.735 856 HAB HEC 201 HAB HEC 201 -3.853 -3.280 4.556 857 HBB1 HEC 201 HBB1 HEC 201 -5.281 -5.271 2.667 858 HBB2 HEC 201 HBB2 HEC 201 -4.633 -3.777 1.957 859 HBB3 HEC 201 HBB3 HEC 201 -5.747 -3.691 3.350 860 HMC1 HEC 201 HMC1 HEC 201 -0.923 -7.657 8.535 861 HMC2 HEC 201 HMC2 HEC 201 -1.907 -7.791 6.918 862 HMC3 HEC 201 HMC3 HEC 201 -0.589 -8.441 7.250 863 HAC HEC 201 HAC HEC 201 2.948 -7.013 8.240 864 HBC1 HEC 201 HBC1 HEC 201 3.221 -9.404 7.683 865 HBC2 HEC 201 HBC2 HEC 201 1.569 -9.710 8.255 866 HBC3 HEC 201 HBC3 HEC 201 2.822 -9.160 9.402 867 HMD1 HEC 201 HMD1 HEC 201 6.043 -7.171 6.391 868 HMD2 HEC 201 HMD2 HEC 201 7.154 -5.850 6.046 869 HMD3 HEC 201 HMD3 HEC 201 7.284 -7.460 5.155 870 HAD1 HEC 201 HAD1 HEC 201 7.936 -6.403 3.243 871 HAD2 HEC 201 HAD2 HEC 201 7.618 -5.022 2.268 872 HBD1 HEC 201 HBD1 HEC 201 7.838 -7.660 1.346 873 HBD2 HEC 201 HBD2 HEC 201 7.350 -6.274 0.406
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