NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
542702 | 2llh | 18048 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H GLN 1 H1 GLN 1 -26.913 -21.535 19.963 2 HA GLN 1 HA GLN 1 -27.508 -19.308 19.251 3 HB2 GLN 1 HB2 GLN 1 -26.147 -19.265 17.155 4 HB3 GLN 1 HB3 GLN 1 -25.372 -19.990 18.557 5 HG2 GLN 1 HG2 GLN 1 -25.815 -22.260 17.660 6 HG3 GLN 1 HG3 GLN 1 -26.604 -21.556 16.242 7 HE21 GLN 1 HE21 GLN 1 -24.291 -23.302 16.146 8 HE22 GLN 1 HE22 GLN 1 -22.900 -22.302 15.685 9 H GLU 2 H GLU 2 -28.471 -17.921 17.642 10 HA GLU 2 HA GLU 2 -30.730 -19.176 16.164 11 HB2 GLU 2 HB2 GLU 2 -31.173 -18.968 18.656 12 HB3 GLU 2 HB3 GLU 2 -31.120 -17.216 18.465 13 HG2 GLU 2 HG2 GLU 2 -33.098 -17.222 17.102 14 HG3 GLU 2 HG3 GLU 2 -32.978 -18.964 16.806 15 H SER 3 H SER 3 -31.996 -17.788 14.894 16 HA SER 3 HA SER 3 -30.635 -15.296 13.995 17 HB2 SER 3 HB2 SER 3 -31.405 -15.754 11.782 18 HB3 SER 3 HB3 SER 3 -30.573 -17.186 12.402 19 HG SER 3 HG SER 3 -32.648 -18.061 12.926 20 H PHE 4 H PHE 4 -31.757 -13.568 13.294 21 HA PHE 4 HA PHE 4 -34.700 -13.408 13.538 22 HB2 PHE 4 HB2 PHE 4 -34.815 -11.897 15.211 23 HB3 PHE 4 HB3 PHE 4 -33.307 -12.673 15.681 24 HD1 PHE 4 HD2 PHE 4 -31.104 -11.520 15.310 25 HD2 PHE 4 HD1 PHE 4 -34.884 -9.585 14.541 26 HE1 PHE 4 HE2 PHE 4 -29.975 -9.311 15.284 27 HE2 PHE 4 HE1 PHE 4 -33.751 -7.373 14.547 28 HZ PHE 4 HZ PHE 4 -31.291 -7.234 14.912 29 H LYS 5 H LYS 5 -31.653 -11.829 12.670 30 HA LYS 5 HA LYS 5 -31.002 -10.674 10.811 31 HB2 LYS 5 HB2 LYS 5 -31.313 -13.176 10.584 32 HB3 LYS 5 HB3 LYS 5 -32.736 -12.841 9.613 33 HG2 LYS 5 HG2 LYS 5 -31.367 -11.615 7.966 34 HG3 LYS 5 HG3 LYS 5 -29.932 -11.779 8.999 35 HD2 LYS 5 HD2 LYS 5 -30.112 -14.264 8.750 36 HD3 LYS 5 HD3 LYS 5 -31.435 -14.031 7.596 37 HE2 LYS 5 HE2 LYS 5 -28.570 -12.996 7.318 38 HE3 LYS 5 HE3 LYS 5 -29.244 -14.405 6.491 39 HZ1 LYS 5 HZ1 LYS 5 -30.056 -11.580 6.096 40 HZ2 LYS 5 HZ2 LYS 5 -30.884 -12.847 5.463 41 HZ3 LYS 5 HZ3 LYS 5 -29.338 -12.558 4.996 42 H LYS 6 H LYS 6 -33.117 -9.232 11.841 43 HA LYS 6 HA LYS 6 -34.887 -8.519 9.584 44 HB2 LYS 6 HB2 LYS 6 -35.511 -9.073 12.115 45 HB3 LYS 6 HB3 LYS 6 -35.140 -7.375 12.366 46 HG2 LYS 6 HG2 LYS 6 -37.489 -7.610 12.025 47 HG3 LYS 6 HG3 LYS 6 -36.858 -6.794 10.600 48 HD2 LYS 6 HD2 LYS 6 -36.980 -9.791 10.430 49 HD3 LYS 6 HD3 LYS 6 -38.539 -8.992 10.594 50 HE2 LYS 6 HE2 LYS 6 -38.293 -7.742 8.608 51 HE3 LYS 6 HE3 LYS 6 -36.557 -8.072 8.486 52 HZ1 LYS 6 HZ1 LYS 6 -37.050 -10.373 8.007 53 HZ2 LYS 6 HZ2 LYS 6 -37.952 -9.462 6.986 54 HZ3 LYS 6 HZ3 LYS 6 -38.648 -10.168 8.301 55 H GLN 7 H GLN 7 -32.289 -7.076 11.372 56 HA GLN 7 HA GLN 7 -32.249 -4.767 9.545 57 HB2 GLN 7 HB2 GLN 7 -32.372 -4.408 12.568 58 HB3 GLN 7 HB3 GLN 7 -31.961 -3.155 11.389 59 HG2 GLN 7 HG2 GLN 7 -34.253 -3.366 10.413 60 HG3 GLN 7 HG3 GLN 7 -34.650 -4.564 11.653 61 HE21 GLN 7 HE21 GLN 7 -36.430 -2.995 12.236 62 HE22 GLN 7 HE22 GLN 7 -35.986 -1.649 13.262 63 H GLU 8 H GLU 8 -30.635 -5.694 12.655 64 HA GLU 8 HA GLU 8 -28.492 -5.789 13.269 65 HB2 GLU 8 HB2 GLU 8 -28.029 -7.225 10.643 66 HB3 GLU 8 HB3 GLU 8 -26.935 -7.192 12.023 67 HG2 GLU 8 HG2 GLU 8 -28.697 -8.260 13.427 68 HG3 GLU 8 HG3 GLU 8 -29.716 -8.427 11.995 69 H LYS 9 H LYS 9 -29.199 -3.340 12.306 70 HA LYS 9 HA LYS 9 -28.609 -1.389 11.369 71 HB2 LYS 9 HB2 LYS 9 -26.618 -0.402 12.138 72 HB3 LYS 9 HB3 LYS 9 -27.241 -1.450 13.395 73 HG2 LYS 9 HG2 LYS 9 -25.537 -3.113 12.976 74 HG3 LYS 9 HG3 LYS 9 -24.976 -2.256 11.522 75 HD2 LYS 9 HD2 LYS 9 -24.487 -0.278 13.101 76 HD3 LYS 9 HD3 LYS 9 -24.701 -1.417 14.436 77 HE2 LYS 9 HE2 LYS 9 -22.706 -1.661 12.132 78 HE3 LYS 9 HE3 LYS 9 -22.324 -1.081 13.748 79 HZ1 LYS 9 HZ1 LYS 9 -23.034 -3.357 14.552 80 HZ2 LYS 9 HZ2 LYS 9 -21.694 -3.334 13.599 81 HZ3 LYS 9 HZ3 LYS 9 -23.137 -3.831 12.995 82 H THR 10 H THR 10 -26.266 -0.351 10.164 83 HA THR 10 HA THR 10 -26.499 -1.592 7.478 84 HB THR 10 HB THR 10 -25.577 0.516 6.629 85 HG1 THR 10 HG1 THR 10 -25.341 2.219 7.928 86 HG21 THR 10 HG21 THR 10 -28.049 0.212 6.844 87 HG22 THR 10 HG22 THR 10 -27.541 1.903 6.991 88 HG23 THR 10 HG23 THR 10 -27.984 0.986 8.443 89 HA PRO 11 HA PRO 11 -22.212 -2.853 7.663 90 HB2 PRO 11 HB2 PRO 11 -22.109 -2.243 4.715 91 HB3 PRO 11 HB3 PRO 11 -21.596 -3.725 5.580 92 HG2 PRO 11 HG2 PRO 11 -23.930 -3.686 4.205 93 HG3 PRO 11 HG3 PRO 11 -23.861 -4.450 5.827 94 HD2 PRO 11 HD2 PRO 11 -24.819 -1.656 5.112 95 HD3 PRO 11 HD3 PRO 11 -25.610 -2.901 6.129 96 H LYS 12 H LYS 12 -20.219 -1.882 7.921 97 HA LYS 12 HA LYS 12 -19.368 0.358 6.292 98 HB2 LYS 12 HB2 LYS 12 -20.713 1.566 8.050 99 HB3 LYS 12 HB3 LYS 12 -19.641 0.922 9.279 100 HG2 LYS 12 HG2 LYS 12 -19.114 3.247 8.717 101 HG3 LYS 12 HG3 LYS 12 -17.759 2.179 8.401 102 HD2 LYS 12 HD2 LYS 12 -18.012 3.917 6.673 103 HD3 LYS 12 HD3 LYS 12 -18.130 2.297 6.009 104 HE2 LYS 12 HE2 LYS 12 -19.759 3.668 4.922 105 HE3 LYS 12 HE3 LYS 12 -20.607 2.495 5.924 106 HZ1 LYS 12 HZ1 LYS 12 -21.502 4.773 6.077 107 HZ2 LYS 12 HZ2 LYS 12 -20.112 5.322 6.738 108 HZ3 LYS 12 HZ3 LYS 12 -21.036 4.217 7.543 109 H THR 13 H THR 13 -18.657 -1.390 9.298 110 HA THR 13 HA THR 13 -16.825 -2.274 10.207 111 HB THR 13 HB THR 13 -17.600 -3.965 8.778 112 HG1 THR 13 HG1 THR 13 -15.883 -4.358 10.059 113 HG21 THR 13 HG21 THR 13 -16.531 -4.653 6.711 114 HG22 THR 13 HG22 THR 13 -15.571 -3.165 6.668 115 HG23 THR 13 HG23 THR 13 -17.340 -3.096 6.519 116 HA PRO 14 HA PRO 14 -13.423 0.658 9.184 117 HB2 PRO 14 HB2 PRO 14 -13.091 1.740 11.662 118 HB3 PRO 14 HB3 PRO 14 -14.341 2.309 10.514 119 HG2 PRO 14 HG2 PRO 14 -14.675 0.346 12.807 120 HG3 PRO 14 HG3 PRO 14 -15.688 1.772 12.422 121 HD2 PRO 14 HD2 PRO 14 -16.368 -0.752 11.652 122 HD3 PRO 14 HD3 PRO 14 -16.724 0.664 10.620 123 H LYS 15 H LYS 15 -11.255 0.217 9.511 124 HA LYS 15 HA LYS 15 -10.310 -1.712 11.522 125 HB2 LYS 15 HB2 LYS 15 -10.385 -2.399 8.550 126 HB3 LYS 15 HB3 LYS 15 -9.152 -3.040 9.616 127 HG2 LYS 15 HG2 LYS 15 -10.534 -4.772 9.801 128 HG3 LYS 15 HG3 LYS 15 -11.186 -3.816 11.106 129 HD2 LYS 15 HD2 LYS 15 -12.957 -4.834 9.806 130 HD3 LYS 15 HD3 LYS 15 -13.048 -3.100 9.665 131 HE2 LYS 15 HE2 LYS 15 -13.570 -4.121 7.565 132 HE3 LYS 15 HE3 LYS 15 -12.083 -3.190 7.393 133 HZ1 LYS 15 HZ1 LYS 15 -12.053 -6.123 7.887 134 HZ2 LYS 15 HZ2 LYS 15 -10.817 -5.202 7.369 135 HZ3 LYS 15 HZ3 LYS 15 -12.096 -5.507 6.381 136 H GLY 16 H GLY 16 -8.244 -1.461 12.057 137 HA2 GLY 16 HA2 GLY 16 -6.125 -0.446 10.319 138 HA3 GLY 16 HA3 GLY 16 -6.648 0.741 11.499 139 HA PRO 17 HA PRO 17 -4.653 -2.908 14.074 140 HB2 PRO 17 HB2 PRO 17 -3.150 -4.206 11.787 141 HB3 PRO 17 HB3 PRO 17 -3.732 -4.951 13.313 142 HG2 PRO 17 HG2 PRO 17 -5.199 -5.278 11.109 143 HG3 PRO 17 HG3 PRO 17 -6.024 -4.751 12.615 144 HD2 PRO 17 HD2 PRO 17 -5.086 -3.055 10.294 145 HD3 PRO 17 HD3 PRO 17 -6.669 -3.060 11.100 146 H SER 18 H SER 18 -2.087 -3.804 14.287 147 HA SER 18 HA SER 18 -0.530 -1.332 14.650 148 HB2 SER 18 HB2 SER 18 0.322 -4.147 15.368 149 HB3 SER 18 HB3 SER 18 0.880 -2.621 16.059 150 HG SER 18 HG SER 18 -1.374 -2.391 16.845 151 H SER 19 H SER 19 -0.549 -3.919 12.363 152 HA SER 19 HA SER 19 2.191 -3.280 11.321 153 HB2 SER 19 HB2 SER 19 1.921 -5.358 12.776 154 HB3 SER 19 HB3 SER 19 0.938 -6.032 11.468 155 HG SER 19 HG SER 19 3.049 -6.667 11.259 156 H VAL 20 H VAL 20 2.004 -5.214 9.188 157 HA VAL 20 HA VAL 20 1.060 -3.521 7.125 158 HB VAL 20 HB VAL 20 1.578 -6.509 6.885 159 HG11 VAL 20 HG11 VAL 20 2.294 -5.904 4.569 160 HG12 VAL 20 HG12 VAL 20 0.586 -5.600 4.844 161 HG13 VAL 20 HG13 VAL 20 1.737 -4.242 4.851 162 HG21 VAL 20 HG21 VAL 20 3.552 -4.192 6.725 163 HG22 VAL 20 HG22 VAL 20 3.559 -5.511 7.915 164 HG23 VAL 20 HG23 VAL 20 3.907 -5.864 6.223 165 H GLU 21 H GLU 21 -0.804 -5.946 8.890 166 HA GLU 21 HA GLU 21 -3.018 -6.070 7.087 167 HB2 GLU 21 HB2 GLU 21 -2.810 -6.375 10.096 168 HB3 GLU 21 HB3 GLU 21 -4.359 -6.496 9.242 169 HG2 GLU 21 HG2 GLU 21 -3.447 -8.249 7.764 170 HG3 GLU 21 HG3 GLU 21 -1.917 -8.203 8.630 171 H ASP 22 H ASP 22 -2.050 -3.353 9.140 172 HA ASP 22 HA ASP 22 -4.506 -1.796 8.805 173 HB2 ASP 22 HB2 ASP 22 -2.849 -1.249 10.542 174 HB3 ASP 22 HB3 ASP 22 -1.632 -0.925 9.306 175 H ILE 23 H ILE 23 -1.396 -1.996 7.003 176 HA ILE 23 HA ILE 23 -2.114 -0.147 4.985 177 HB ILE 23 HB ILE 23 -0.241 -2.537 4.956 178 HG12 ILE 23 HG12 ILE 23 0.388 0.424 4.725 179 HG13 ILE 23 HG13 ILE 23 0.251 -0.399 6.280 180 HG21 ILE 23 HG21 ILE 23 -0.989 -2.387 2.657 181 HG22 ILE 23 HG22 ILE 23 -0.760 -0.618 2.656 182 HG23 ILE 23 HG23 ILE 23 0.630 -1.707 2.768 183 HD11 ILE 23 HD11 ILE 23 2.261 -1.166 4.119 184 HD12 ILE 23 HD12 ILE 23 2.592 -0.231 5.576 185 HD13 ILE 23 HD13 ILE 23 2.082 -1.918 5.720 186 H LYS 24 H LYS 24 -2.728 -3.653 5.123 187 HA LYS 24 HA LYS 24 -4.054 -3.795 2.600 188 HB2 LYS 24 HB2 LYS 24 -3.089 -5.681 4.005 189 HB3 LYS 24 HB3 LYS 24 -4.498 -5.557 5.054 190 HG2 LYS 24 HG2 LYS 24 -4.728 -7.375 3.465 191 HG3 LYS 24 HG3 LYS 24 -5.973 -6.157 3.174 192 HD2 LYS 24 HD2 LYS 24 -4.930 -5.405 1.159 193 HD3 LYS 24 HD3 LYS 24 -3.367 -6.106 1.610 194 HE2 LYS 24 HE2 LYS 24 -4.294 -7.564 -0.070 195 HE3 LYS 24 HE3 LYS 24 -4.450 -8.395 1.477 196 HZ1 LYS 24 HZ1 LYS 24 -6.818 -7.545 1.516 197 HZ2 LYS 24 HZ2 LYS 24 -6.478 -8.651 0.367 198 HZ3 LYS 24 HZ3 LYS 24 -6.599 -7.063 -0.047 199 H ALA 25 H ALA 25 -5.422 -3.209 5.850 200 HA ALA 25 HA ALA 25 -8.178 -3.060 5.042 201 HB1 ALA 25 HB1 ALA 25 -6.704 -1.737 7.371 202 HB2 ALA 25 HB2 ALA 25 -8.458 -1.943 7.222 203 HB3 ALA 25 HB3 ALA 25 -7.408 -3.364 7.380 204 H LYS 26 H LYS 26 -5.614 -0.577 5.308 205 HA LYS 26 HA LYS 26 -7.306 1.651 4.529 206 HB2 LYS 26 HB2 LYS 26 -4.361 1.211 5.028 207 HB3 LYS 26 HB3 LYS 26 -4.902 2.685 4.242 208 HG2 LYS 26 HG2 LYS 26 -4.623 2.953 6.684 209 HG3 LYS 26 HG3 LYS 26 -6.235 3.352 6.086 210 HD2 LYS 26 HD2 LYS 26 -6.970 1.073 6.978 211 HD3 LYS 26 HD3 LYS 26 -5.380 0.936 7.722 212 HE2 LYS 26 HE2 LYS 26 -7.384 3.165 8.236 213 HE3 LYS 26 HE3 LYS 26 -7.130 1.759 9.276 214 HZ1 LYS 26 HZ1 LYS 26 -5.151 3.874 8.685 215 HZ2 LYS 26 HZ2 LYS 26 -4.829 2.508 9.583 216 HZ3 LYS 26 HZ3 LYS 26 -5.931 3.640 10.098 217 H MET 27 H MET 27 -5.182 -0.531 2.663 218 HA MET 27 HA MET 27 -5.558 0.662 0.099 219 HB2 MET 27 HB2 MET 27 -5.290 -2.235 0.977 220 HB3 MET 27 HB3 MET 27 -5.490 -1.781 -0.708 221 HG2 MET 27 HG2 MET 27 -3.416 -0.660 -0.787 222 HG3 MET 27 HG3 MET 27 -3.245 -0.638 0.961 223 HE1 MET 27 HE1 MET 27 -3.637 -3.199 -2.103 224 HE2 MET 27 HE2 MET 27 -3.019 -4.690 -1.356 225 HE3 MET 27 HE3 MET 27 -4.546 -3.989 -0.798 226 H GLN 28 H GLN 28 -7.729 -1.651 1.904 227 HA GLN 28 HA GLN 28 -9.725 -1.673 -0.178 228 HB2 GLN 28 HB2 GLN 28 -10.340 -1.976 2.776 229 HB3 GLN 28 HB3 GLN 28 -11.310 -2.474 1.405 230 HG2 GLN 28 HG2 GLN 28 -8.915 -3.796 2.607 231 HG3 GLN 28 HG3 GLN 28 -10.465 -4.475 2.157 232 HE21 GLN 28 HE21 GLN 28 -7.228 -4.064 1.223 233 HE22 GLN 28 HE22 GLN 28 -7.393 -4.741 -0.418 234 H ALA 29 H ALA 29 -9.348 0.454 2.714 235 HA ALA 29 HA ALA 29 -11.680 1.996 2.266 236 HB1 ALA 29 HB1 ALA 29 -10.620 3.656 3.724 237 HB2 ALA 29 HB2 ALA 29 -10.354 2.020 4.357 238 HB3 ALA 29 HB3 ALA 29 -9.043 2.880 3.514 239 H SER 30 H SER 30 -8.338 2.579 0.950 240 HA SER 30 HA SER 30 -9.036 4.932 -0.499 241 HB2 SER 30 HB2 SER 30 -6.932 2.847 -1.180 242 HB3 SER 30 HB3 SER 30 -7.036 4.481 -1.854 243 HG SER 30 HG SER 30 -7.100 4.910 0.688 244 H ILE 31 H ILE 31 -9.121 1.482 -1.627 245 HA ILE 31 HA ILE 31 -10.008 2.341 -4.254 246 HB ILE 31 HB ILE 31 -8.527 0.376 -3.718 247 HG12 ILE 31 HG12 ILE 31 -10.854 -0.227 -5.568 248 HG13 ILE 31 HG13 ILE 31 -9.557 0.913 -5.946 249 HG21 ILE 31 HG21 ILE 31 -9.482 -1.765 -3.183 250 HG22 ILE 31 HG22 ILE 31 -10.051 -0.611 -1.980 251 HG23 ILE 31 HG23 ILE 31 -11.139 -1.133 -3.271 252 HD11 ILE 31 HD11 ILE 31 -9.236 -2.080 -5.475 253 HD12 ILE 31 HD12 ILE 31 -9.085 -1.208 -7.008 254 HD13 ILE 31 HD13 ILE 31 -7.892 -0.937 -5.724 255 H GLU 32 H GLU 32 -11.770 1.694 -1.366 256 HA GLU 32 HA GLU 32 -14.361 1.550 -2.833 257 HB2 GLU 32 HB2 GLU 32 -13.621 1.387 0.100 258 HB3 GLU 32 HB3 GLU 32 -15.280 1.416 -0.478 259 HG2 GLU 32 HG2 GLU 32 -13.328 -0.681 -1.511 260 HG3 GLU 32 HG3 GLU 32 -14.148 -0.870 0.032 261 H LYS 33 H LYS 33 -12.958 3.671 -0.246 262 HA LYS 33 HA LYS 33 -15.101 5.609 -0.536 263 HB2 LYS 33 HB2 LYS 33 -12.469 5.932 0.966 264 HB3 LYS 33 HB3 LYS 33 -13.941 6.871 1.172 265 HG2 LYS 33 HG2 LYS 33 -15.123 4.772 1.915 266 HG3 LYS 33 HG3 LYS 33 -13.566 3.924 1.860 267 HD2 LYS 33 HD2 LYS 33 -12.642 5.692 3.440 268 HD3 LYS 33 HD3 LYS 33 -14.287 6.314 3.611 269 HE2 LYS 33 HE2 LYS 33 -13.239 3.564 4.405 270 HE3 LYS 33 HE3 LYS 33 -13.770 4.862 5.481 271 HZ1 LYS 33 HZ1 LYS 33 -16.024 4.589 4.422 272 HZ2 LYS 33 HZ2 LYS 33 -15.497 3.247 5.280 273 HZ3 LYS 33 HZ3 LYS 33 -15.445 3.241 3.663 274 H GLY 34 H GLY 34 -11.655 5.610 -1.469 275 HA2 GLY 34 HA2 GLY 34 -11.888 8.178 -2.922 276 HA3 GLY 34 HA3 GLY 34 -10.460 7.159 -2.746 277 H GLY 35 H GLY 35 -12.274 4.804 -3.630 278 HA2 GLY 35 HA2 GLY 35 -13.050 3.787 -5.563 279 HA3 GLY 35 HA3 GLY 35 -12.860 5.295 -6.452 280 H SER 36 H SER 36 -9.915 5.139 -5.211 281 HA SER 36 HA SER 36 -8.724 3.392 -7.312 282 HB2 SER 36 HB2 SER 36 -8.298 6.385 -6.974 283 HB3 SER 36 HB3 SER 36 -7.204 5.329 -7.882 284 HG SER 36 HG SER 36 -9.825 6.126 -8.466 285 H LEU 37 H LEU 37 -6.577 2.917 -7.089 286 HA LEU 37 HA LEU 37 -5.108 3.563 -4.606 287 HB2 LEU 37 HB2 LEU 37 -6.459 1.492 -4.195 288 HB3 LEU 37 HB3 LEU 37 -5.769 0.764 -5.642 289 HG LEU 37 HG LEU 37 -3.486 0.896 -4.525 290 HD11 LEU 37 HD11 LEU 37 -5.183 1.491 -2.058 291 HD12 LEU 37 HD12 LEU 37 -4.085 2.649 -2.817 292 HD13 LEU 37 HD13 LEU 37 -3.436 1.185 -2.086 293 HD21 LEU 37 HD21 LEU 37 -3.892 -1.043 -3.088 294 HD22 LEU 37 HD22 LEU 37 -4.837 -1.180 -4.580 295 HD23 LEU 37 HD23 LEU 37 -5.639 -0.697 -3.074 296 HA PRO 38 HA PRO 38 -2.148 4.076 -7.795 297 HB2 PRO 38 HB2 PRO 38 0.041 3.292 -5.889 298 HB3 PRO 38 HB3 PRO 38 -0.066 4.736 -6.937 299 HG2 PRO 38 HG2 PRO 38 -0.615 4.954 -4.310 300 HG3 PRO 38 HG3 PRO 38 -1.698 5.746 -5.500 301 HD2 PRO 38 HD2 PRO 38 -2.073 3.075 -4.110 302 HD3 PRO 38 HD3 PRO 38 -3.214 4.430 -4.278 303 H LYS 39 H LYS 39 -0.972 3.044 -9.367 304 HA LYS 39 HA LYS 39 -1.000 0.039 -9.246 305 HB2 LYS 39 HB2 LYS 39 -1.810 0.024 -11.509 306 HB3 LYS 39 HB3 LYS 39 -2.867 0.983 -10.478 307 HG2 LYS 39 HG2 LYS 39 -1.797 3.079 -11.365 308 HG3 LYS 39 HG3 LYS 39 -0.795 2.079 -12.436 309 HD2 LYS 39 HD2 LYS 39 -2.855 1.196 -13.522 310 HD3 LYS 39 HD3 LYS 39 -3.846 2.143 -12.407 311 HE2 LYS 39 HE2 LYS 39 -3.785 3.304 -14.485 312 HE3 LYS 39 HE3 LYS 39 -2.871 4.249 -13.310 313 HZ1 LYS 39 HZ1 LYS 39 -1.798 3.978 -15.560 314 HZ2 LYS 39 HZ2 LYS 39 -1.601 2.386 -15.251 315 HZ3 LYS 39 HZ3 LYS 39 -0.835 3.513 -14.329 316 H VAL 40 H VAL 40 1.240 2.351 -9.297 317 HA VAL 40 HA VAL 40 3.195 0.683 -10.802 318 HB VAL 40 HB VAL 40 2.446 2.625 -12.141 319 HG11 VAL 40 HG11 VAL 40 3.160 4.886 -11.618 320 HG12 VAL 40 HG12 VAL 40 2.113 4.295 -10.321 321 HG13 VAL 40 HG13 VAL 40 3.877 4.360 -10.090 322 HG21 VAL 40 HG21 VAL 40 4.627 1.618 -12.523 323 HG22 VAL 40 HG22 VAL 40 4.668 3.362 -12.820 324 HG23 VAL 40 HG23 VAL 40 5.352 2.712 -11.318 325 H GLU 41 H GLU 41 5.219 0.459 -9.856 326 HA GLU 41 HA GLU 41 4.895 0.189 -7.139 327 HB2 GLU 41 HB2 GLU 41 7.094 -0.709 -6.993 328 HB3 GLU 41 HB3 GLU 41 6.338 -1.214 -8.499 329 HG2 GLU 41 HG2 GLU 41 7.687 0.479 -9.732 330 HG3 GLU 41 HG3 GLU 41 8.456 0.956 -8.219 331 H ALA 42 H ALA 42 6.957 2.808 -8.568 332 HA ALA 42 HA ALA 42 7.967 3.563 -6.010 333 HB1 ALA 42 HB1 ALA 42 7.827 5.231 -8.554 334 HB2 ALA 42 HB2 ALA 42 8.956 5.404 -7.190 335 HB3 ALA 42 HB3 ALA 42 9.047 3.976 -8.224 336 H LYS 43 H LYS 43 5.136 4.680 -7.792 337 HA LYS 43 HA LYS 43 4.421 6.856 -5.955 338 HB2 LYS 43 HB2 LYS 43 2.811 5.373 -8.090 339 HB3 LYS 43 HB3 LYS 43 2.222 6.739 -7.135 340 HG2 LYS 43 HG2 LYS 43 4.212 8.067 -7.930 341 HG3 LYS 43 HG3 LYS 43 4.566 6.752 -9.064 342 HD2 LYS 43 HD2 LYS 43 2.433 7.099 -10.211 343 HD3 LYS 43 HD3 LYS 43 1.915 8.258 -8.965 344 HE2 LYS 43 HE2 LYS 43 3.821 9.741 -9.554 345 HE3 LYS 43 HE3 LYS 43 4.291 8.629 -10.849 346 HZ1 LYS 43 HZ1 LYS 43 1.640 9.952 -10.686 347 HZ2 LYS 43 HZ2 LYS 43 2.237 9.103 -11.971 348 HZ3 LYS 43 HZ3 LYS 43 2.893 10.575 -11.510 349 H PHE 44 H PHE 44 3.478 3.428 -6.355 350 HA PHE 44 HA PHE 44 1.608 3.448 -4.208 351 HB2 PHE 44 HB2 PHE 44 1.742 1.678 -5.935 352 HB3 PHE 44 HB3 PHE 44 3.311 1.177 -5.324 353 HD1 PHE 44 HD1 PHE 44 -0.301 1.526 -4.357 354 HD2 PHE 44 HD2 PHE 44 3.483 -0.366 -3.527 355 HE1 PHE 44 HE1 PHE 44 -1.400 0.060 -2.682 356 HE2 PHE 44 HE2 PHE 44 2.374 -1.871 -1.909 357 HZ PHE 44 HZ PHE 44 -0.073 -1.646 -1.462 358 H ILE 45 H ILE 45 5.167 2.805 -4.218 359 HA ILE 45 HA ILE 45 5.449 2.327 -1.407 360 HB ILE 45 HB ILE 45 7.351 3.286 -3.557 361 HG12 ILE 45 HG12 ILE 45 7.255 0.682 -1.960 362 HG13 ILE 45 HG13 ILE 45 6.408 0.886 -3.481 363 HG21 ILE 45 HG21 ILE 45 8.213 4.243 -1.458 364 HG22 ILE 45 HG22 ILE 45 8.038 2.662 -0.649 365 HG23 ILE 45 HG23 ILE 45 9.220 2.897 -1.953 366 HD11 ILE 45 HD11 ILE 45 8.467 -0.250 -3.931 367 HD12 ILE 45 HD12 ILE 45 8.586 1.380 -4.619 368 HD13 ILE 45 HD13 ILE 45 9.424 0.981 -3.098 369 H ASN 46 H ASN 46 5.576 5.464 -3.220 370 HA ASN 46 HA ASN 46 5.971 7.140 -0.941 371 HB2 ASN 46 HB2 ASN 46 6.134 8.219 -3.034 372 HB3 ASN 46 HB3 ASN 46 4.628 7.538 -3.635 373 HD21 ASN 46 HD21 ASN 46 2.699 8.689 -3.329 374 HD22 ASN 46 HD22 ASN 46 2.587 10.089 -2.268 375 H TYR 47 H TYR 47 2.907 5.891 -2.321 376 HA TYR 47 HA TYR 47 1.150 7.071 -0.413 377 HB2 TYR 47 HB2 TYR 47 0.225 6.410 -2.410 378 HB3 TYR 47 HB3 TYR 47 1.003 4.841 -2.413 379 HD1 TYR 47 HD1 TYR 47 0.205 2.974 -0.960 380 HD2 TYR 47 HD2 TYR 47 -2.016 6.644 -1.429 381 HE1 TYR 47 HE1 TYR 47 -1.812 1.886 0.016 382 HE2 TYR 47 HE2 TYR 47 -4.052 5.521 -0.556 383 HH TYR 47 HH TYR 47 -4.962 3.540 0.275 384 H VAL 48 H VAL 48 2.639 3.773 -0.401 385 HA VAL 48 HA VAL 48 1.508 2.891 2.053 386 HB VAL 48 HB VAL 48 4.064 2.178 0.582 387 HG11 VAL 48 HG11 VAL 48 3.066 0.951 3.181 388 HG12 VAL 48 HG12 VAL 48 4.246 0.184 2.093 389 HG13 VAL 48 HG13 VAL 48 4.649 1.709 2.883 390 HG21 VAL 48 HG21 VAL 48 1.879 1.432 -0.370 391 HG22 VAL 48 HG22 VAL 48 2.858 0.071 0.172 392 HG23 VAL 48 HG23 VAL 48 1.493 0.631 1.164 393 H LYS 49 H LYS 49 4.608 4.682 1.549 394 HA LYS 49 HA LYS 49 5.041 4.860 4.440 395 HB2 LYS 49 HB2 LYS 49 6.423 6.128 2.050 396 HB3 LYS 49 HB3 LYS 49 6.865 6.492 3.729 397 HG2 LYS 49 HG2 LYS 49 7.149 4.038 4.157 398 HG3 LYS 49 HG3 LYS 49 6.900 3.717 2.438 399 HD2 LYS 49 HD2 LYS 49 9.093 5.526 3.531 400 HD3 LYS 49 HD3 LYS 49 9.299 3.787 3.301 401 HE2 LYS 49 HE2 LYS 49 8.864 3.999 0.895 402 HE3 LYS 49 HE3 LYS 49 8.586 5.738 1.074 403 HZ1 LYS 49 HZ1 LYS 49 10.866 5.259 0.345 404 HZ2 LYS 49 HZ2 LYS 49 11.151 4.370 1.703 405 HZ3 LYS 49 HZ3 LYS 49 10.860 5.990 1.815 406 H ASN 50 H ASN 50 3.034 6.676 2.346 407 HA ASN 50 HA ASN 50 2.706 8.901 4.244 408 HB2 ASN 50 HB2 ASN 50 2.231 9.679 2.159 409 HB3 ASN 50 HB3 ASN 50 1.686 8.137 1.547 410 HD21 ASN 50 HD21 ASN 50 -0.524 7.488 1.860 411 HD22 ASN 50 HD22 ASN 50 -1.720 8.738 2.100 412 H CYS 51 H CYS 51 1.049 5.823 3.526 413 HA CYS 51 HA CYS 51 -1.120 6.337 5.406 414 HB2 CYS 51 HB2 CYS 51 -0.362 3.936 3.684 415 HB3 CYS 51 HB3 CYS 51 -1.854 4.083 4.623 416 HG CYS 51 HG CYS 51 -2.199 4.408 2.024 417 H PHE 52 H PHE 52 1.993 4.763 5.781 418 HA PHE 52 HA PHE 52 1.204 3.817 8.474 419 HB2 PHE 52 HB2 PHE 52 0.639 2.014 6.828 420 HB3 PHE 52 HB3 PHE 52 2.323 1.979 6.325 421 HD1 PHE 52 HD1 PHE 52 0.103 1.604 9.347 422 HD2 PHE 52 HD2 PHE 52 3.821 0.503 7.463 423 HE1 PHE 52 HE1 PHE 52 0.636 0.105 11.251 424 HE2 PHE 52 HE2 PHE 52 4.358 -0.978 9.376 425 HZ PHE 52 HZ PHE 52 2.790 -1.148 11.282 426 H ARG 53 H ARG 53 2.970 3.032 9.763 427 HA ARG 53 HA ARG 53 5.545 4.403 9.465 428 HB2 ARG 53 HB2 ARG 53 4.370 2.535 11.550 429 HB3 ARG 53 HB3 ARG 53 6.006 3.203 11.647 430 HG2 ARG 53 HG2 ARG 53 4.905 5.521 11.369 431 HG3 ARG 53 HG3 ARG 53 3.382 4.716 11.742 432 HD2 ARG 53 HD2 ARG 53 4.244 3.962 13.905 433 HD3 ARG 53 HD3 ARG 53 5.839 4.634 13.546 434 HE ARG 53 HE ARG 53 3.546 6.068 14.568 435 HH11 ARG 53 HH11 ARG 53 6.458 6.586 12.595 436 HH12 ARG 53 HH12 ARG 53 6.355 8.322 12.881 437 HH21 ARG 53 HH21 ARG 53 3.550 8.335 14.744 438 HH22 ARG 53 HH22 ARG 53 4.858 9.208 13.953 439 H MET 54 H MET 54 5.504 3.034 7.257 440 HA MET 54 HA MET 54 6.460 0.300 7.543 441 HB2 MET 54 HB2 MET 54 4.959 1.325 5.667 442 HB3 MET 54 HB3 MET 54 6.470 1.894 4.965 443 HG2 MET 54 HG2 MET 54 5.879 -0.195 3.957 444 HG3 MET 54 HG3 MET 54 7.302 -0.478 4.962 445 HE1 MET 54 HE1 MET 54 6.670 -3.107 4.502 446 HE2 MET 54 HE2 MET 54 5.110 -3.824 4.953 447 HE3 MET 54 HE3 MET 54 5.185 -2.623 3.647 448 H THR 55 H THR 55 8.489 -0.459 7.618 449 HA THR 55 HA THR 55 10.788 1.235 6.689 450 HB THR 55 HB THR 55 12.044 0.562 8.704 451 HG1 THR 55 HG1 THR 55 9.640 -0.084 9.987 452 HG21 THR 55 HG21 THR 55 9.484 2.041 9.443 453 HG22 THR 55 HG22 THR 55 10.902 2.766 8.660 454 HG23 THR 55 HG23 THR 55 11.047 2.090 10.289 455 H ASP 56 H ASP 56 9.477 -2.007 7.086 456 HA ASP 56 HA ASP 56 12.038 -3.327 6.525 457 HB2 ASP 56 HB2 ASP 56 9.237 -4.442 6.767 458 HB3 ASP 56 HB3 ASP 56 10.729 -5.387 6.727 459 H GLN 57 H GLN 57 12.817 -3.203 4.458 460 HA GLN 57 HA GLN 57 11.204 -2.750 2.165 461 HB2 GLN 57 HB2 GLN 57 13.927 -2.676 2.799 462 HB3 GLN 57 HB3 GLN 57 13.831 -3.973 1.614 463 HG2 GLN 57 HG2 GLN 57 12.740 -1.133 1.284 464 HG3 GLN 57 HG3 GLN 57 14.251 -1.728 0.600 465 HE21 GLN 57 HE21 GLN 57 11.249 -0.934 -0.392 466 HE22 GLN 57 HE22 GLN 57 10.936 -2.233 -1.562 467 H GLU 58 H GLU 58 12.542 -5.809 3.378 468 HA GLU 58 HA GLU 58 11.440 -7.559 1.463 469 HB2 GLU 58 HB2 GLU 58 11.538 -9.258 3.281 470 HB3 GLU 58 HB3 GLU 58 13.005 -8.344 3.007 471 HG2 GLU 58 HG2 GLU 58 12.070 -6.848 5.038 472 HG3 GLU 58 HG3 GLU 58 11.193 -8.326 5.393 473 H ALA 59 H ALA 59 9.705 -6.032 4.228 474 HA ALA 59 HA ALA 59 7.220 -7.497 3.695 475 HB1 ALA 59 HB1 ALA 59 7.803 -6.674 5.939 476 HB2 ALA 59 HB2 ALA 59 7.633 -5.004 5.340 477 HB3 ALA 59 HB3 ALA 59 6.236 -6.098 5.330 478 H ILE 60 H ILE 60 8.621 -4.351 2.734 479 HA ILE 60 HA ILE 60 6.316 -3.242 1.436 480 HB ILE 60 HB ILE 60 9.275 -2.807 1.098 481 HG12 ILE 60 HG12 ILE 60 7.043 -1.046 2.180 482 HG13 ILE 60 HG13 ILE 60 8.137 -2.019 3.165 483 HG21 ILE 60 HG21 ILE 60 8.291 -2.350 -1.130 484 HG22 ILE 60 HG22 ILE 60 7.020 -1.357 -0.379 485 HG23 ILE 60 HG23 ILE 60 8.721 -0.843 -0.361 486 HD11 ILE 60 HD11 ILE 60 10.072 -0.727 2.167 487 HD12 ILE 60 HD12 ILE 60 8.862 0.394 1.485 488 HD13 ILE 60 HD13 ILE 60 8.989 0.188 3.238 489 H GLN 61 H GLN 61 8.983 -5.217 -0.003 490 HA GLN 61 HA GLN 61 7.560 -5.383 -2.511 491 HB2 GLN 61 HB2 GLN 61 9.309 -6.826 -3.255 492 HB3 GLN 61 HB3 GLN 61 9.972 -5.484 -2.336 493 HG2 GLN 61 HG2 GLN 61 11.236 -7.244 -1.533 494 HG3 GLN 61 HG3 GLN 61 10.014 -7.072 -0.312 495 HE21 GLN 61 HE21 GLN 61 9.640 -9.160 0.452 496 HE22 GLN 61 HE22 GLN 61 9.422 -10.569 -0.594 497 H ASP 62 H ASP 62 7.554 -7.534 0.358 498 HA ASP 62 HA ASP 62 5.977 -9.629 -0.801 499 HB2 ASP 62 HB2 ASP 62 7.191 -9.809 1.324 500 HB3 ASP 62 HB3 ASP 62 6.164 -8.574 2.046 501 H LEU 63 H LEU 63 5.068 -6.517 0.645 502 HA LEU 63 HA LEU 63 2.226 -6.942 0.473 503 HB2 LEU 63 HB2 LEU 63 3.314 -5.552 2.155 504 HB3 LEU 63 HB3 LEU 63 3.872 -4.428 0.936 505 HG LEU 63 HG LEU 63 1.923 -3.751 2.375 506 HD11 LEU 63 HD11 LEU 63 1.323 -3.661 -0.595 507 HD12 LEU 63 HD12 LEU 63 2.438 -2.584 0.288 508 HD13 LEU 63 HD13 LEU 63 0.706 -2.588 0.650 509 HD21 LEU 63 HD21 LEU 63 0.283 -5.628 0.631 510 HD22 LEU 63 HD22 LEU 63 -0.324 -4.496 1.847 511 HD23 LEU 63 HD23 LEU 63 0.667 -5.866 2.356 512 H TRP 64 H TRP 64 4.628 -5.201 -1.599 513 HA TRP 64 HA TRP 64 2.802 -4.196 -3.537 514 HB2 TRP 64 HB2 TRP 64 5.166 -3.532 -3.439 515 HB3 TRP 64 HB3 TRP 64 5.663 -5.164 -3.839 516 HD1 TRP 64 HD1 TRP 64 6.648 -5.144 -6.126 517 HE1 TRP 64 HE1 TRP 64 6.100 -4.191 -8.433 518 HE3 TRP 64 HE3 TRP 64 2.461 -2.433 -4.922 519 HZ2 TRP 64 HZ2 TRP 64 4.137 -2.449 -9.606 520 HZ3 TRP 64 HZ3 TRP 64 1.310 -1.086 -6.666 521 HH2 TRP 64 HH2 TRP 64 2.116 -1.128 -9.011 522 H GLN 65 H GLN 65 4.510 -7.365 -3.480 523 HA GLN 65 HA GLN 65 3.178 -8.465 -5.772 524 HB2 GLN 65 HB2 GLN 65 4.730 -9.511 -3.419 525 HB3 GLN 65 HB3 GLN 65 3.706 -10.654 -4.271 526 HG2 GLN 65 HG2 GLN 65 6.088 -10.544 -5.078 527 HG3 GLN 65 HG3 GLN 65 4.838 -10.431 -6.303 528 HE21 GLN 65 HE21 GLN 65 6.873 -8.163 -4.285 529 HE22 GLN 65 HE22 GLN 65 7.323 -7.202 -5.690 530 H TRP 66 H TRP 66 2.198 -8.550 -2.275 531 HA TRP 66 HA TRP 66 -0.192 -10.037 -2.718 532 HB2 TRP 66 HB2 TRP 66 0.975 -9.551 -0.550 533 HB3 TRP 66 HB3 TRP 66 0.323 -7.923 -0.605 534 HD1 TRP 66 HD1 TRP 66 -2.206 -10.529 -1.626 535 HE1 TRP 66 HE1 TRP 66 -3.805 -11.039 0.302 536 HE3 TRP 66 HE3 TRP 66 0.257 -8.079 2.134 537 HZ2 TRP 66 HZ2 TRP 66 -3.998 -10.463 3.127 538 HZ3 TRP 66 HZ3 TRP 66 -0.693 -8.020 4.429 539 HH2 TRP 66 HH2 TRP 66 -2.809 -9.219 4.940 540 H ARG 67 H ARG 67 0.364 -6.511 -2.963 541 HA ARG 67 HA ARG 67 -2.402 -5.841 -3.582 542 HB2 ARG 67 HB2 ARG 67 -0.875 -4.266 -2.518 543 HB3 ARG 67 HB3 ARG 67 0.204 -4.281 -3.906 544 HG2 ARG 67 HG2 ARG 67 -2.694 -3.509 -4.340 545 HG3 ARG 67 HG3 ARG 67 -1.642 -2.369 -3.523 546 HD2 ARG 67 HD2 ARG 67 -0.092 -2.292 -5.359 547 HD3 ARG 67 HD3 ARG 67 -0.926 -3.561 -6.242 548 HE ARG 67 HE ARG 67 -1.565 -0.760 -6.237 549 HH11 ARG 67 HH11 ARG 67 -3.213 -3.893 -6.669 550 HH12 ARG 67 HH12 ARG 67 -4.471 -3.100 -7.592 551 HH21 ARG 67 HH21 ARG 67 -3.159 0.047 -7.370 552 HH22 ARG 67 HH22 ARG 67 -4.508 -0.964 -7.877 553 H LYS 68 H LYS 68 0.329 -6.798 -5.601 554 HA LYS 68 HA LYS 68 -1.130 -6.259 -8.099 555 HB2 LYS 68 HB2 LYS 68 1.378 -6.146 -7.777 556 HB3 LYS 68 HB3 LYS 68 1.392 -7.913 -7.677 557 HG2 LYS 68 HG2 LYS 68 0.489 -8.079 -9.945 558 HG3 LYS 68 HG3 LYS 68 0.281 -6.329 -10.050 559 HD2 LYS 68 HD2 LYS 68 2.988 -7.674 -9.661 560 HD3 LYS 68 HD3 LYS 68 2.286 -7.322 -11.245 561 HE2 LYS 68 HE2 LYS 68 2.204 -4.919 -10.729 562 HE3 LYS 68 HE3 LYS 68 2.914 -5.217 -9.130 563 HZ1 LYS 68 HZ1 LYS 68 4.255 -5.953 -11.679 564 HZ2 LYS 68 HZ2 LYS 68 4.923 -5.995 -10.183 565 HZ3 LYS 68 HZ3 LYS 68 4.572 -4.564 -10.882 566 H SER 69 H SER 69 -0.928 -8.878 -5.855 567 HA SER 69 HA SER 69 -2.209 -10.879 -7.547 568 HB2 SER 69 HB2 SER 69 -1.794 -10.909 -4.538 569 HB3 SER 69 HB3 SER 69 -2.161 -12.291 -5.580 570 HG SER 69 HG SER 69 0.209 -10.701 -5.659 571 H LEU 70 H LEU 70 -3.918 -8.726 -7.688 572 HA LEU 70 HA LEU 70 -6.042 -9.116 -5.620 573 HB2 LEU 70 HB2 LEU 70 -4.607 -6.963 -5.911 574 HB3 LEU 70 HB3 LEU 70 -5.688 -6.589 -7.244 575 HG LEU 70 HG LEU 70 -6.558 -7.159 -4.369 576 HD11 LEU 70 HD11 LEU 70 -6.122 -4.506 -5.802 577 HD12 LEU 70 HD12 LEU 70 -5.133 -5.163 -4.479 578 HD13 LEU 70 HD13 LEU 70 -6.818 -4.698 -4.179 579 HD21 LEU 70 HD21 LEU 70 -8.665 -6.101 -4.958 580 HD22 LEU 70 HD22 LEU 70 -8.376 -7.446 -6.064 581 HD23 LEU 70 HD23 LEU 70 -8.089 -5.777 -6.603 Start of MODEL 2 1 H GLN 1 H1 GLN 1 -40.972 -2.884 29.717 2 HA GLN 1 HA GLN 1 -41.849 -0.248 28.739 3 HB2 GLN 1 HB2 GLN 1 -40.970 -1.139 31.513 4 HB3 GLN 1 HB3 GLN 1 -41.260 0.534 31.040 5 HG2 GLN 1 HG2 GLN 1 -43.619 0.086 30.649 6 HG3 GLN 1 HG3 GLN 1 -43.397 -1.637 30.978 7 HE21 GLN 1 HE21 GLN 1 -45.302 -0.164 32.406 8 HE22 GLN 1 HE22 GLN 1 -44.762 -0.104 34.071 9 H GLU 2 H GLU 2 -40.279 1.338 28.477 10 HA GLU 2 HA GLU 2 -37.462 0.841 29.249 11 HB2 GLU 2 HB2 GLU 2 -38.479 1.263 26.419 12 HB3 GLU 2 HB3 GLU 2 -36.929 1.940 26.885 13 HG2 GLU 2 HG2 GLU 2 -37.561 -1.026 27.163 14 HG3 GLU 2 HG3 GLU 2 -36.837 -0.293 25.742 15 H SER 3 H SER 3 -36.239 2.820 29.443 16 HA SER 3 HA SER 3 -37.813 5.356 29.176 17 HB2 SER 3 HB2 SER 3 -37.906 4.572 31.514 18 HB3 SER 3 HB3 SER 3 -36.139 4.642 31.601 19 HG SER 3 HG SER 3 -36.243 6.858 31.268 20 H PHE 4 H PHE 4 -34.596 3.827 28.936 21 HA PHE 4 HA PHE 4 -33.542 6.408 27.861 22 HB2 PHE 4 HB2 PHE 4 -32.182 4.773 30.031 23 HB3 PHE 4 HB3 PHE 4 -31.523 6.198 29.239 24 HD1 PHE 4 HD1 PHE 4 -32.797 8.436 29.466 25 HD2 PHE 4 HD2 PHE 4 -33.571 5.007 31.967 26 HE1 PHE 4 HE1 PHE 4 -33.954 9.894 31.102 27 HE2 PHE 4 HE2 PHE 4 -34.742 6.478 33.592 28 HZ PHE 4 HZ PHE 4 -34.944 8.914 33.163 29 H LYS 5 H LYS 5 -31.988 6.313 26.372 30 HA LYS 5 HA LYS 5 -31.171 3.625 25.302 31 HB2 LYS 5 HB2 LYS 5 -32.584 5.048 23.838 32 HB3 LYS 5 HB3 LYS 5 -31.377 6.338 23.945 33 HG2 LYS 5 HG2 LYS 5 -29.702 4.884 22.819 34 HG3 LYS 5 HG3 LYS 5 -30.874 3.559 22.802 35 HD2 LYS 5 HD2 LYS 5 -30.843 4.539 20.619 36 HD3 LYS 5 HD3 LYS 5 -32.379 4.960 21.378 37 HE2 LYS 5 HE2 LYS 5 -31.298 7.201 22.009 38 HE3 LYS 5 HE3 LYS 5 -29.938 6.738 20.965 39 HZ1 LYS 5 HZ1 LYS 5 -31.554 6.559 19.124 40 HZ2 LYS 5 HZ2 LYS 5 -31.552 8.080 19.781 41 HZ3 LYS 5 HZ3 LYS 5 -32.763 7.035 20.134 42 H LYS 6 H LYS 6 -29.905 6.914 26.005 43 HA LYS 6 HA LYS 6 -27.121 5.851 26.045 44 HB2 LYS 6 HB2 LYS 6 -26.377 7.351 24.283 45 HB3 LYS 6 HB3 LYS 6 -27.637 6.285 23.662 46 HG2 LYS 6 HG2 LYS 6 -29.311 8.105 23.841 47 HG3 LYS 6 HG3 LYS 6 -28.083 9.145 24.584 48 HD2 LYS 6 HD2 LYS 6 -26.723 9.022 22.518 49 HD3 LYS 6 HD3 LYS 6 -28.005 8.077 21.754 50 HE2 LYS 6 HE2 LYS 6 -28.183 10.398 21.073 51 HE3 LYS 6 HE3 LYS 6 -29.584 9.972 22.059 52 HZ1 LYS 6 HZ1 LYS 6 -28.543 12.147 22.596 53 HZ2 LYS 6 HZ2 LYS 6 -27.195 11.374 23.129 54 HZ3 LYS 6 HZ3 LYS 6 -28.618 11.167 23.916 55 H GLN 7 H GLN 7 -25.540 7.200 26.846 56 HA GLN 7 HA GLN 7 -26.263 9.970 27.650 57 HB2 GLN 7 HB2 GLN 7 -24.762 8.154 29.599 58 HB3 GLN 7 HB3 GLN 7 -25.170 9.847 29.786 59 HG2 GLN 7 HG2 GLN 7 -26.718 8.799 31.143 60 HG3 GLN 7 HG3 GLN 7 -27.646 9.113 29.688 61 HE21 GLN 7 HE21 GLN 7 -29.022 7.331 30.870 62 HE22 GLN 7 HE22 GLN 7 -28.567 5.669 30.508 63 H GLU 8 H GLU 8 -23.540 7.755 28.010 64 HA GLU 8 HA GLU 8 -21.780 9.053 26.072 65 HB2 GLU 8 HB2 GLU 8 -20.050 9.559 27.751 66 HB3 GLU 8 HB3 GLU 8 -21.517 10.492 28.038 67 HG2 GLU 8 HG2 GLU 8 -22.141 8.605 29.749 68 HG3 GLU 8 HG3 GLU 8 -20.453 8.129 29.606 69 H LYS 9 H LYS 9 -19.696 7.702 25.936 70 HA LYS 9 HA LYS 9 -20.198 4.840 26.644 71 HB2 LYS 9 HB2 LYS 9 -20.003 4.171 24.298 72 HB3 LYS 9 HB3 LYS 9 -21.449 5.093 24.633 73 HG2 LYS 9 HG2 LYS 9 -18.988 6.381 23.376 74 HG3 LYS 9 HG3 LYS 9 -20.194 5.509 22.433 75 HD2 LYS 9 HD2 LYS 9 -21.972 7.060 23.231 76 HD3 LYS 9 HD3 LYS 9 -20.745 7.989 24.107 77 HE2 LYS 9 HE2 LYS 9 -19.521 8.284 21.904 78 HE3 LYS 9 HE3 LYS 9 -20.949 7.618 21.110 79 HZ1 LYS 9 HZ1 LYS 9 -21.092 10.017 21.194 80 HZ2 LYS 9 HZ2 LYS 9 -20.910 10.050 22.841 81 HZ3 LYS 9 HZ3 LYS 9 -22.257 9.417 22.159 82 H THR 10 H THR 10 -17.849 7.191 25.549 83 HA THR 10 HA THR 10 -15.559 7.070 25.301 84 HB THR 10 HB THR 10 -14.501 6.687 27.488 85 HG1 THR 10 HG1 THR 10 -15.455 5.312 28.680 86 HG21 THR 10 HG21 THR 10 -17.126 8.217 27.681 87 HG22 THR 10 HG22 THR 10 -15.629 8.835 26.941 88 HG23 THR 10 HG23 THR 10 -15.673 8.448 28.668 89 HA PRO 11 HA PRO 11 -15.657 2.568 24.415 90 HB2 PRO 11 HB2 PRO 11 -14.637 3.312 21.679 91 HB3 PRO 11 HB3 PRO 11 -15.916 2.132 22.120 92 HG2 PRO 11 HG2 PRO 11 -16.610 4.553 21.165 93 HG3 PRO 11 HG3 PRO 11 -17.471 3.914 22.612 94 HD2 PRO 11 HD2 PRO 11 -15.103 5.806 22.521 95 HD3 PRO 11 HD3 PRO 11 -16.653 6.037 23.366 96 H LYS 12 H LYS 12 -12.927 4.530 23.249 97 HA LYS 12 HA LYS 12 -10.762 4.112 22.816 98 HB2 LYS 12 HB2 LYS 12 -10.791 2.468 25.357 99 HB3 LYS 12 HB3 LYS 12 -9.374 3.139 24.559 100 HG2 LYS 12 HG2 LYS 12 -11.589 4.634 26.000 101 HG3 LYS 12 HG3 LYS 12 -9.882 4.557 26.407 102 HD2 LYS 12 HD2 LYS 12 -11.162 6.070 24.098 103 HD3 LYS 12 HD3 LYS 12 -10.370 6.743 25.524 104 HE2 LYS 12 HE2 LYS 12 -8.208 5.767 24.775 105 HE3 LYS 12 HE3 LYS 12 -9.018 5.102 23.345 106 HZ1 LYS 12 HZ1 LYS 12 -7.833 7.246 22.985 107 HZ2 LYS 12 HZ2 LYS 12 -8.948 8.003 23.936 108 HZ3 LYS 12 HZ3 LYS 12 -9.436 7.305 22.547 109 H THR 13 H THR 13 -12.116 2.877 21.141 110 HA THR 13 HA THR 13 -10.885 0.172 20.711 111 HB THR 13 HB THR 13 -13.710 0.984 19.973 112 HG1 THR 13 HG1 THR 13 -14.253 -0.449 21.585 113 HG21 THR 13 HG21 THR 13 -12.245 -1.693 19.904 114 HG22 THR 13 HG22 THR 13 -12.702 -0.764 18.466 115 HG23 THR 13 HG23 THR 13 -13.962 -1.438 19.512 116 HA PRO 14 HA PRO 14 -9.754 2.775 17.042 117 HB2 PRO 14 HB2 PRO 14 -7.111 2.177 16.935 118 HB3 PRO 14 HB3 PRO 14 -7.756 3.388 18.086 119 HG2 PRO 14 HG2 PRO 14 -7.143 0.458 18.623 120 HG3 PRO 14 HG3 PRO 14 -6.617 1.886 19.573 121 HD2 PRO 14 HD2 PRO 14 -8.810 0.409 20.236 122 HD3 PRO 14 HD3 PRO 14 -8.754 2.177 20.499 123 H LYS 15 H LYS 15 -8.867 1.967 14.964 124 HA LYS 15 HA LYS 15 -8.875 -0.994 14.574 125 HB2 LYS 15 HB2 LYS 15 -10.483 1.047 12.972 126 HB3 LYS 15 HB3 LYS 15 -10.076 -0.554 12.386 127 HG2 LYS 15 HG2 LYS 15 -12.135 -1.034 13.245 128 HG3 LYS 15 HG3 LYS 15 -11.156 -1.390 14.667 129 HD2 LYS 15 HD2 LYS 15 -11.671 1.011 15.447 130 HD3 LYS 15 HD3 LYS 15 -12.765 1.132 14.068 131 HE2 LYS 15 HE2 LYS 15 -14.062 -0.790 14.947 132 HE3 LYS 15 HE3 LYS 15 -12.922 -0.942 16.303 133 HZ1 LYS 15 HZ1 LYS 15 -14.873 0.375 16.959 134 HZ2 LYS 15 HZ2 LYS 15 -14.639 1.398 15.706 135 HZ3 LYS 15 HZ3 LYS 15 -13.554 1.344 16.956 136 H GLY 16 H GLY 16 -7.102 -1.635 13.631 137 HA2 GLY 16 HA2 GLY 16 -5.698 -0.771 11.420 138 HA3 GLY 16 HA3 GLY 16 -5.183 0.355 12.667 139 HA PRO 17 HA PRO 17 -3.749 -3.947 14.232 140 HB2 PRO 17 HB2 PRO 17 -3.516 -5.450 11.648 141 HB3 PRO 17 HB3 PRO 17 -3.940 -6.065 13.275 142 HG2 PRO 17 HG2 PRO 17 -5.891 -5.664 11.449 143 HG3 PRO 17 HG3 PRO 17 -6.124 -5.102 13.142 144 HD2 PRO 17 HD2 PRO 17 -5.250 -3.492 10.737 145 HD3 PRO 17 HD3 PRO 17 -6.503 -3.105 11.936 146 H SER 18 H SER 18 -1.664 -4.140 14.797 147 HA SER 18 HA SER 18 0.112 -2.317 13.679 148 HB2 SER 18 HB2 SER 18 0.683 -4.535 15.679 149 HB3 SER 18 HB3 SER 18 1.689 -3.096 15.407 150 HG SER 18 HG SER 18 -0.085 -1.808 15.948 151 H SER 19 H SER 19 -0.020 -5.717 12.776 152 HA SER 19 HA SER 19 2.644 -5.419 11.433 153 HB2 SER 19 HB2 SER 19 1.192 -7.939 12.256 154 HB3 SER 19 HB3 SER 19 2.706 -7.845 11.327 155 HG SER 19 HG SER 19 3.255 -8.075 13.484 156 H VAL 20 H VAL 20 1.951 -4.289 9.713 157 HA VAL 20 HA VAL 20 1.175 -3.747 7.691 158 HB VAL 20 HB VAL 20 1.279 -6.688 7.002 159 HG11 VAL 20 HG11 VAL 20 2.131 -5.815 4.847 160 HG12 VAL 20 HG12 VAL 20 0.500 -5.244 5.186 161 HG13 VAL 20 HG13 VAL 20 1.882 -4.149 5.427 162 HG21 VAL 20 HG21 VAL 20 3.373 -6.237 8.179 163 HG22 VAL 20 HG22 VAL 20 3.714 -6.273 6.451 164 HG23 VAL 20 HG23 VAL 20 3.587 -4.715 7.292 165 H GLU 21 H GLU 21 -0.977 -6.066 9.213 166 HA GLU 21 HA GLU 21 -3.002 -5.927 7.225 167 HB2 GLU 21 HB2 GLU 21 -3.056 -6.860 10.102 168 HB3 GLU 21 HB3 GLU 21 -4.475 -6.911 9.045 169 HG2 GLU 21 HG2 GLU 21 -3.009 -8.167 7.368 170 HG3 GLU 21 HG3 GLU 21 -1.810 -8.328 8.654 171 H ASP 22 H ASP 22 -2.273 -3.518 9.639 172 HA ASP 22 HA ASP 22 -4.643 -1.920 9.440 173 HB2 ASP 22 HB2 ASP 22 -2.801 -1.326 10.943 174 HB3 ASP 22 HB3 ASP 22 -1.705 -1.130 9.579 175 H ILE 23 H ILE 23 -1.642 -1.521 7.436 176 HA ILE 23 HA ILE 23 -3.039 0.181 5.672 177 HB ILE 23 HB ILE 23 -0.569 0.103 5.991 178 HG12 ILE 23 HG12 ILE 23 -1.267 0.086 3.051 179 HG13 ILE 23 HG13 ILE 23 -1.970 1.298 4.120 180 HG21 ILE 23 HG21 ILE 23 0.791 -1.302 4.438 181 HG22 ILE 23 HG22 ILE 23 -0.072 -2.253 5.634 182 HG23 ILE 23 HG23 ILE 23 -0.670 -2.187 3.963 183 HD11 ILE 23 HD11 ILE 23 0.097 2.057 2.929 184 HD12 ILE 23 HD12 ILE 23 0.169 2.234 4.679 185 HD13 ILE 23 HD13 ILE 23 1.030 0.897 3.900 186 H LYS 24 H LYS 24 -2.733 -3.327 5.622 187 HA LYS 24 HA LYS 24 -3.865 -3.671 3.007 188 HB2 LYS 24 HB2 LYS 24 -2.675 -5.413 4.443 189 HB3 LYS 24 HB3 LYS 24 -4.159 -5.556 5.387 190 HG2 LYS 24 HG2 LYS 24 -3.869 -7.321 3.678 191 HG3 LYS 24 HG3 LYS 24 -5.372 -6.408 3.478 192 HD2 LYS 24 HD2 LYS 24 -4.614 -5.310 1.534 193 HD3 LYS 24 HD3 LYS 24 -2.914 -5.579 1.925 194 HE2 LYS 24 HE2 LYS 24 -3.690 -6.972 0.019 195 HE3 LYS 24 HE3 LYS 24 -3.058 -7.903 1.383 196 HZ1 LYS 24 HZ1 LYS 24 -5.420 -8.296 2.057 197 HZ2 LYS 24 HZ2 LYS 24 -5.042 -8.942 0.597 198 HZ3 LYS 24 HZ3 LYS 24 -5.923 -7.596 0.663 199 H ALA 25 H ALA 25 -5.515 -3.447 6.211 200 HA ALA 25 HA ALA 25 -8.176 -3.699 5.113 201 HB1 ALA 25 HB1 ALA 25 -8.862 -2.871 7.352 202 HB2 ALA 25 HB2 ALA 25 -7.693 -4.191 7.459 203 HB3 ALA 25 HB3 ALA 25 -7.163 -2.519 7.736 204 H LYS 26 H LYS 26 -6.182 -0.853 6.012 205 HA LYS 26 HA LYS 26 -8.091 1.177 5.252 206 HB2 LYS 26 HB2 LYS 26 -5.101 1.107 5.759 207 HB3 LYS 26 HB3 LYS 26 -5.861 2.547 5.118 208 HG2 LYS 26 HG2 LYS 26 -5.561 2.689 7.549 209 HG3 LYS 26 HG3 LYS 26 -7.252 2.831 7.058 210 HD2 LYS 26 HD2 LYS 26 -7.552 0.436 7.790 211 HD3 LYS 26 HD3 LYS 26 -5.894 0.455 8.394 212 HE2 LYS 26 HE2 LYS 26 -8.081 2.369 9.317 213 HE3 LYS 26 HE3 LYS 26 -7.698 0.840 10.104 214 HZ1 LYS 26 HZ1 LYS 26 -5.388 1.700 10.407 215 HZ2 LYS 26 HZ2 LYS 26 -6.531 2.487 11.269 216 HZ3 LYS 26 HZ3 LYS 26 -5.905 3.182 9.921 217 H MET 27 H MET 27 -5.675 -0.611 3.303 218 HA MET 27 HA MET 27 -6.347 0.811 0.875 219 HB2 MET 27 HB2 MET 27 -4.876 -1.775 1.394 220 HB3 MET 27 HB3 MET 27 -5.295 -1.243 -0.235 221 HG2 MET 27 HG2 MET 27 -4.157 0.894 0.093 222 HG3 MET 27 HG3 MET 27 -3.702 0.437 1.732 223 HE1 MET 27 HE1 MET 27 -0.324 0.492 -0.289 224 HE2 MET 27 HE2 MET 27 -1.743 1.477 -0.714 225 HE3 MET 27 HE3 MET 27 -1.296 1.250 0.992 226 H GLN 28 H GLN 28 -7.892 -2.076 2.417 227 HA GLN 28 HA GLN 28 -9.580 -2.592 0.102 228 HB2 GLN 28 HB2 GLN 28 -10.296 -3.127 2.999 229 HB3 GLN 28 HB3 GLN 28 -11.070 -3.781 1.568 230 HG2 GLN 28 HG2 GLN 28 -8.506 -4.583 2.867 231 HG3 GLN 28 HG3 GLN 28 -9.833 -5.570 2.300 232 HE21 GLN 28 HE21 GLN 28 -6.772 -4.218 1.523 233 HE22 GLN 28 HE22 GLN 28 -6.649 -4.904 -0.109 234 H ALA 29 H ALA 29 -9.942 -0.511 2.997 235 HA ALA 29 HA ALA 29 -12.484 0.622 2.333 236 HB1 ALA 29 HB1 ALA 29 -11.392 0.850 4.537 237 HB2 ALA 29 HB2 ALA 29 -10.120 1.851 3.813 238 HB3 ALA 29 HB3 ALA 29 -11.793 2.428 3.849 239 H SER 30 H SER 30 -9.165 1.788 1.541 240 HA SER 30 HA SER 30 -9.898 3.962 -0.086 241 HB2 SER 30 HB2 SER 30 -7.493 2.122 -0.371 242 HB3 SER 30 HB3 SER 30 -7.661 3.707 -1.130 243 HG SER 30 HG SER 30 -7.716 3.169 1.682 244 H ILE 31 H ILE 31 -9.376 0.551 -1.222 245 HA ILE 31 HA ILE 31 -9.920 1.300 -3.948 246 HB ILE 31 HB ILE 31 -8.422 -0.578 -3.128 247 HG12 ILE 31 HG12 ILE 31 -10.361 -1.184 -5.399 248 HG13 ILE 31 HG13 ILE 31 -8.975 -0.090 -5.494 249 HG21 ILE 31 HG21 ILE 31 -9.336 -2.761 -2.744 250 HG22 ILE 31 HG22 ILE 31 -10.241 -1.657 -1.712 251 HG23 ILE 31 HG23 ILE 31 -10.971 -2.251 -3.208 252 HD11 ILE 31 HD11 ILE 31 -8.881 -3.094 -5.012 253 HD12 ILE 31 HD12 ILE 31 -8.382 -2.219 -6.466 254 HD13 ILE 31 HD13 ILE 31 -7.468 -2.009 -4.956 255 H GLU 32 H GLU 32 -12.077 0.509 -1.360 256 HA GLU 32 HA GLU 32 -14.348 0.177 -3.276 257 HB2 GLU 32 HB2 GLU 32 -14.064 -0.083 -0.283 258 HB3 GLU 32 HB3 GLU 32 -15.624 -0.099 -1.092 259 HG2 GLU 32 HG2 GLU 32 -13.442 -2.016 -1.983 260 HG3 GLU 32 HG3 GLU 32 -14.441 -2.363 -0.585 261 H LYS 33 H LYS 33 -12.985 2.660 -1.175 262 HA LYS 33 HA LYS 33 -15.393 4.344 -1.500 263 HB2 LYS 33 HB2 LYS 33 -12.912 4.666 0.217 264 HB3 LYS 33 HB3 LYS 33 -14.320 5.733 0.238 265 HG2 LYS 33 HG2 LYS 33 -15.776 3.943 1.004 266 HG3 LYS 33 HG3 LYS 33 -14.521 2.739 0.827 267 HD2 LYS 33 HD2 LYS 33 -14.663 3.272 3.158 268 HD3 LYS 33 HD3 LYS 33 -13.126 3.869 2.523 269 HE2 LYS 33 HE2 LYS 33 -14.225 6.155 2.292 270 HE3 LYS 33 HE3 LYS 33 -15.618 5.501 3.162 271 HZ1 LYS 33 HZ1 LYS 33 -14.146 5.074 5.063 272 HZ2 LYS 33 HZ2 LYS 33 -14.031 6.642 4.608 273 HZ3 LYS 33 HZ3 LYS 33 -12.839 5.579 4.205 274 H GLY 34 H GLY 34 -12.386 4.179 -3.101 275 HA2 GLY 34 HA2 GLY 34 -13.284 6.395 -4.778 276 HA3 GLY 34 HA3 GLY 34 -11.788 6.771 -3.914 277 H GLY 35 H GLY 35 -10.627 4.122 -4.030 278 HA2 GLY 35 HA2 GLY 35 -9.544 2.641 -5.485 279 HA3 GLY 35 HA3 GLY 35 -10.404 3.337 -6.855 280 H SER 36 H SER 36 -8.955 5.865 -5.081 281 HA SER 36 HA SER 36 -7.037 6.243 -7.257 282 HB2 SER 36 HB2 SER 36 -7.840 8.046 -4.970 283 HB3 SER 36 HB3 SER 36 -6.765 8.490 -6.318 284 HG SER 36 HG SER 36 -8.909 9.086 -6.783 285 H LEU 37 H LEU 37 -6.091 4.180 -6.335 286 HA LEU 37 HA LEU 37 -3.824 4.703 -4.499 287 HB2 LEU 37 HB2 LEU 37 -4.770 2.151 -5.876 288 HB3 LEU 37 HB3 LEU 37 -3.318 2.276 -4.914 289 HG LEU 37 HG LEU 37 -4.908 1.208 -3.588 290 HD11 LEU 37 HD11 LEU 37 -5.075 2.591 -1.613 291 HD12 LEU 37 HD12 LEU 37 -4.856 4.073 -2.561 292 HD13 LEU 37 HD13 LEU 37 -3.525 2.902 -2.408 293 HD21 LEU 37 HD21 LEU 37 -6.888 3.491 -3.826 294 HD22 LEU 37 HD22 LEU 37 -7.088 1.929 -3.011 295 HD23 LEU 37 HD23 LEU 37 -6.970 1.984 -4.777 296 HA PRO 38 HA PRO 38 -1.074 5.812 -7.630 297 HB2 PRO 38 HB2 PRO 38 0.863 3.722 -6.608 298 HB3 PRO 38 HB3 PRO 38 1.170 5.430 -7.061 299 HG2 PRO 38 HG2 PRO 38 0.834 4.844 -4.462 300 HG3 PRO 38 HG3 PRO 38 -0.063 6.233 -5.148 301 HD2 PRO 38 HD2 PRO 38 -1.056 3.400 -4.679 302 HD3 PRO 38 HD3 PRO 38 -1.816 4.958 -4.233 303 H LYS 39 H LYS 39 -0.027 5.440 -9.574 304 HA LYS 39 HA LYS 39 -1.037 3.151 -11.151 305 HB2 LYS 39 HB2 LYS 39 -1.350 5.591 -11.746 306 HB3 LYS 39 HB3 LYS 39 0.390 5.695 -12.036 307 HG2 LYS 39 HG2 LYS 39 0.196 4.048 -13.871 308 HG3 LYS 39 HG3 LYS 39 -1.509 3.786 -13.476 309 HD2 LYS 39 HD2 LYS 39 -1.364 5.199 -15.414 310 HD3 LYS 39 HD3 LYS 39 -1.995 6.160 -14.073 311 HE2 LYS 39 HE2 LYS 39 0.229 7.181 -13.746 312 HE3 LYS 39 HE3 LYS 39 0.918 6.137 -14.999 313 HZ1 LYS 39 HZ1 LYS 39 -0.488 7.225 -16.635 314 HZ2 LYS 39 HZ2 LYS 39 0.354 8.373 -15.810 315 HZ3 LYS 39 HZ3 LYS 39 -1.226 8.145 -15.477 316 H VAL 40 H VAL 40 1.935 4.080 -9.672 317 HA VAL 40 HA VAL 40 3.365 1.897 -11.067 318 HB VAL 40 HB VAL 40 3.857 3.967 -12.292 319 HG11 VAL 40 HG11 VAL 40 3.697 5.622 -10.455 320 HG12 VAL 40 HG12 VAL 40 5.195 4.972 -9.746 321 HG13 VAL 40 HG13 VAL 40 5.220 5.745 -11.338 322 HG21 VAL 40 HG21 VAL 40 6.240 3.732 -12.415 323 HG22 VAL 40 HG22 VAL 40 6.327 2.986 -10.814 324 HG23 VAL 40 HG23 VAL 40 5.531 2.132 -12.156 325 H GLU 41 H GLU 41 4.877 0.840 -9.983 326 HA GLU 41 HA GLU 41 4.648 0.417 -7.299 327 HB2 GLU 41 HB2 GLU 41 6.602 -0.951 -7.476 328 HB3 GLU 41 HB3 GLU 41 5.659 -1.080 -8.951 329 HG2 GLU 41 HG2 GLU 41 7.179 0.552 -10.090 330 HG3 GLU 41 HG3 GLU 41 8.170 0.616 -8.635 331 H ALA 42 H ALA 42 7.067 2.707 -8.688 332 HA ALA 42 HA ALA 42 8.459 3.217 -6.268 333 HB1 ALA 42 HB1 ALA 42 9.272 3.832 -8.525 334 HB2 ALA 42 HB2 ALA 42 7.994 5.059 -8.666 335 HB3 ALA 42 HB3 ALA 42 9.267 5.232 -7.441 336 H LYS 43 H LYS 43 5.604 4.825 -7.655 337 HA LYS 43 HA LYS 43 5.220 6.755 -5.509 338 HB2 LYS 43 HB2 LYS 43 3.392 5.688 -7.695 339 HB3 LYS 43 HB3 LYS 43 2.890 6.918 -6.531 340 HG2 LYS 43 HG2 LYS 43 5.326 7.246 -8.293 341 HG3 LYS 43 HG3 LYS 43 3.692 7.710 -8.795 342 HD2 LYS 43 HD2 LYS 43 3.491 9.290 -6.950 343 HD3 LYS 43 HD3 LYS 43 5.070 8.808 -6.302 344 HE2 LYS 43 HE2 LYS 43 6.210 9.636 -8.284 345 HE3 LYS 43 HE3 LYS 43 4.669 10.011 -9.072 346 HZ1 LYS 43 HZ1 LYS 43 5.534 11.256 -6.519 347 HZ2 LYS 43 HZ2 LYS 43 4.237 11.682 -7.431 348 HZ3 LYS 43 HZ3 LYS 43 5.759 11.950 -7.994 349 H PHE 44 H PHE 44 4.150 3.418 -6.098 350 HA PHE 44 HA PHE 44 2.304 3.393 -3.933 351 HB2 PHE 44 HB2 PHE 44 2.209 1.760 -5.744 352 HB3 PHE 44 HB3 PHE 44 3.767 1.101 -5.294 353 HD1 PHE 44 HD2 PHE 44 4.034 -0.277 -3.220 354 HD2 PHE 44 HD1 PHE 44 0.192 1.216 -4.493 355 HE1 PHE 44 HE2 PHE 44 2.905 -1.873 -1.689 356 HE2 PHE 44 HE1 PHE 44 -0.935 -0.402 -2.985 357 HZ PHE 44 HZ PHE 44 0.413 -1.941 -1.587 358 H ILE 45 H ILE 45 5.749 2.360 -4.075 359 HA ILE 45 HA ILE 45 6.091 1.687 -1.325 360 HB ILE 45 HB ILE 45 7.994 2.862 -3.389 361 HG12 ILE 45 HG12 ILE 45 7.925 0.016 -2.313 362 HG13 ILE 45 HG13 ILE 45 6.933 0.492 -3.679 363 HG21 ILE 45 HG21 ILE 45 9.853 2.081 -1.897 364 HG22 ILE 45 HG22 ILE 45 8.941 3.406 -1.206 365 HG23 ILE 45 HG23 ILE 45 8.665 1.747 -0.625 366 HD11 ILE 45 HD11 ILE 45 8.949 1.186 -4.942 367 HD12 ILE 45 HD12 ILE 45 9.970 0.621 -3.601 368 HD13 ILE 45 HD13 ILE 45 8.963 -0.529 -4.493 369 H ASN 46 H ASN 46 6.492 4.857 -2.956 370 HA ASN 46 HA ASN 46 6.934 6.476 -0.676 371 HB2 ASN 46 HB2 ASN 46 7.307 7.569 -2.661 372 HB3 ASN 46 HB3 ASN 46 5.958 6.824 -3.479 373 HD21 ASN 46 HD21 ASN 46 3.876 7.736 -3.385 374 HD22 ASN 46 HD22 ASN 46 3.676 9.392 -2.817 375 H TYR 47 H TYR 47 3.752 5.476 -2.074 376 HA TYR 47 HA TYR 47 2.132 6.961 -0.280 377 HB2 TYR 47 HB2 TYR 47 1.347 5.959 -2.389 378 HB3 TYR 47 HB3 TYR 47 1.528 4.343 -1.721 379 HD1 TYR 47 HD1 TYR 47 0.037 3.578 0.180 380 HD2 TYR 47 HD2 TYR 47 -0.573 7.317 -1.895 381 HE1 TYR 47 HE1 TYR 47 -2.220 3.800 1.230 382 HE2 TYR 47 HE2 TYR 47 -2.844 7.487 -0.890 383 HH TYR 47 HH TYR 47 -4.115 5.078 1.412 384 H VAL 48 H VAL 48 3.351 3.587 -0.021 385 HA VAL 48 HA VAL 48 2.060 3.028 2.474 386 HB VAL 48 HB VAL 48 4.497 1.847 1.075 387 HG11 VAL 48 HG11 VAL 48 3.234 0.907 3.676 388 HG12 VAL 48 HG12 VAL 48 4.225 -0.125 2.634 389 HG13 VAL 48 HG13 VAL 48 4.929 1.325 3.358 390 HG21 VAL 48 HG21 VAL 48 3.006 -0.030 0.594 391 HG22 VAL 48 HG22 VAL 48 1.693 0.728 1.513 392 HG23 VAL 48 HG23 VAL 48 2.278 1.464 0.007 393 H LYS 49 H LYS 49 5.348 4.249 1.803 394 HA LYS 49 HA LYS 49 6.233 4.594 4.503 395 HB2 LYS 49 HB2 LYS 49 6.900 6.015 1.897 396 HB3 LYS 49 HB3 LYS 49 7.715 6.368 3.424 397 HG2 LYS 49 HG2 LYS 49 8.568 4.119 3.603 398 HG3 LYS 49 HG3 LYS 49 7.591 3.556 2.246 399 HD2 LYS 49 HD2 LYS 49 9.919 3.844 1.585 400 HD3 LYS 49 HD3 LYS 49 8.879 4.972 0.695 401 HE2 LYS 49 HE2 LYS 49 9.522 6.813 2.169 402 HE3 LYS 49 HE3 LYS 49 10.420 5.705 3.219 403 HZ1 LYS 49 HZ1 LYS 49 11.109 6.148 0.374 404 HZ2 LYS 49 HZ2 LYS 49 11.986 5.330 1.516 405 HZ3 LYS 49 HZ3 LYS 49 11.812 6.964 1.651 406 H ASN 50 H ASN 50 4.085 6.613 2.566 407 HA ASN 50 HA ASN 50 3.971 8.774 4.548 408 HB2 ASN 50 HB2 ASN 50 3.791 9.418 2.296 409 HB3 ASN 50 HB3 ASN 50 2.687 8.118 1.883 410 HD21 ASN 50 HD21 ASN 50 0.449 8.245 2.532 411 HD22 ASN 50 HD22 ASN 50 -0.233 9.813 2.909 412 H CYS 51 H CYS 51 1.879 6.009 3.688 413 HA CYS 51 HA CYS 51 -0.325 7.016 5.297 414 HB2 CYS 51 HB2 CYS 51 -0.574 6.125 3.010 415 HB3 CYS 51 HB3 CYS 51 -0.003 4.543 3.548 416 HG CYS 51 HG CYS 51 -2.652 6.240 4.642 417 H PHE 52 H PHE 52 1.796 4.133 5.573 418 HA PHE 52 HA PHE 52 0.866 3.866 8.409 419 HB2 PHE 52 HB2 PHE 52 -0.216 2.140 7.037 420 HB3 PHE 52 HB3 PHE 52 1.374 1.578 6.496 421 HD1 PHE 52 HD1 PHE 52 -0.191 2.364 9.860 422 HD2 PHE 52 HD2 PHE 52 1.906 -0.498 7.404 423 HE1 PHE 52 HE1 PHE 52 -0.111 0.783 11.765 424 HE2 PHE 52 HE2 PHE 52 1.991 -2.072 9.320 425 HZ PHE 52 HZ PHE 52 0.955 -1.441 11.491 426 H ARG 53 H ARG 53 3.350 4.653 6.540 427 HA ARG 53 HA ARG 53 5.526 5.031 6.863 428 HB2 ARG 53 HB2 ARG 53 6.061 6.068 8.830 429 HB3 ARG 53 HB3 ARG 53 4.338 6.333 8.554 430 HG2 ARG 53 HG2 ARG 53 3.678 4.975 10.352 431 HG3 ARG 53 HG3 ARG 53 5.208 4.097 10.415 432 HD2 ARG 53 HD2 ARG 53 4.854 7.015 11.202 433 HD3 ARG 53 HD3 ARG 53 4.897 5.638 12.320 434 HE ARG 53 HE ARG 53 7.217 5.712 10.562 435 HH11 ARG 53 HH11 ARG 53 6.090 7.150 13.602 436 HH12 ARG 53 HH12 ARG 53 7.748 7.275 14.168 437 HH21 ARG 53 HH21 ARG 53 9.124 6.143 11.236 438 HH22 ARG 53 HH22 ARG 53 9.420 7.015 12.738 439 H MET 54 H MET 54 4.999 2.219 6.685 440 HA MET 54 HA MET 54 7.084 0.755 8.034 441 HB2 MET 54 HB2 MET 54 5.932 0.460 5.225 442 HB3 MET 54 HB3 MET 54 6.943 -0.737 6.025 443 HG2 MET 54 HG2 MET 54 5.247 -1.174 7.692 444 HG3 MET 54 HG3 MET 54 4.271 0.183 7.135 445 HE1 MET 54 HE1 MET 54 5.464 -3.447 6.506 446 HE2 MET 54 HE2 MET 54 4.753 -3.858 4.928 447 HE3 MET 54 HE3 MET 54 6.114 -2.718 5.021 448 H THR 55 H THR 55 9.120 0.159 7.299 449 HA THR 55 HA THR 55 10.415 1.820 5.168 450 HB THR 55 HB THR 55 11.690 1.137 7.847 451 HG1 THR 55 HG1 THR 55 10.460 2.795 8.310 452 HG21 THR 55 HG21 THR 55 13.413 1.314 6.144 453 HG22 THR 55 HG22 THR 55 13.407 2.804 7.091 454 HG23 THR 55 HG23 THR 55 12.657 2.786 5.478 455 H ASP 56 H ASP 56 9.914 -1.337 6.574 456 HA ASP 56 HA ASP 56 12.238 -2.625 5.420 457 HB2 ASP 56 HB2 ASP 56 9.617 -3.762 6.450 458 HB3 ASP 56 HB3 ASP 56 11.041 -4.712 6.025 459 H GLN 57 H GLN 57 12.431 -2.333 3.252 460 HA GLN 57 HA GLN 57 10.421 -2.225 1.329 461 HB2 GLN 57 HB2 GLN 57 12.758 -1.467 1.087 462 HB3 GLN 57 HB3 GLN 57 13.291 -3.143 0.996 463 HG2 GLN 57 HG2 GLN 57 13.207 -2.132 -1.222 464 HG3 GLN 57 HG3 GLN 57 12.053 -3.453 -1.107 465 HE21 GLN 57 HE21 GLN 57 9.800 -2.981 -1.254 466 HE22 GLN 57 HE22 GLN 57 9.270 -1.390 -1.807 467 H GLU 58 H GLU 58 11.867 -5.130 2.674 468 HA GLU 58 HA GLU 58 10.865 -7.057 0.792 469 HB2 GLU 58 HB2 GLU 58 11.272 -8.669 2.614 470 HB3 GLU 58 HB3 GLU 58 12.659 -7.661 2.251 471 HG2 GLU 58 HG2 GLU 58 10.873 -6.744 4.511 472 HG3 GLU 58 HG3 GLU 58 11.795 -8.201 4.756 473 H ALA 59 H ALA 59 9.338 -5.532 3.626 474 HA ALA 59 HA ALA 59 6.947 -7.284 3.513 475 HB1 ALA 59 HB1 ALA 59 6.178 -5.997 5.376 476 HB2 ALA 59 HB2 ALA 59 7.814 -6.641 5.683 477 HB3 ALA 59 HB3 ALA 59 7.593 -4.917 5.276 478 H ILE 60 H ILE 60 7.971 -3.967 2.680 479 HA ILE 60 HA ILE 60 5.436 -2.998 1.757 480 HB ILE 60 HB ILE 60 8.267 -2.318 0.911 481 HG12 ILE 60 HG12 ILE 60 6.435 -0.784 2.795 482 HG13 ILE 60 HG13 ILE 60 7.657 -1.914 3.338 483 HG21 ILE 60 HG21 ILE 60 7.290 -0.191 0.009 484 HG22 ILE 60 HG22 ILE 60 6.667 -1.590 -0.849 485 HG23 ILE 60 HG23 ILE 60 5.665 -0.795 0.380 486 HD11 ILE 60 HD11 ILE 60 9.408 -0.551 2.145 487 HD12 ILE 60 HD12 ILE 60 8.168 0.688 1.856 488 HD13 ILE 60 HD13 ILE 60 8.618 0.258 3.511 489 H GLN 61 H GLN 61 8.054 -4.776 -0.036 490 HA GLN 61 HA GLN 61 6.390 -4.921 -2.412 491 HB2 GLN 61 HB2 GLN 61 8.105 -6.094 -3.459 492 HB3 GLN 61 HB3 GLN 61 8.868 -4.882 -2.449 493 HG2 GLN 61 HG2 GLN 61 10.203 -6.764 -2.106 494 HG3 GLN 61 HG3 GLN 61 9.162 -6.731 -0.696 495 HE21 GLN 61 HE21 GLN 61 8.992 -8.953 -0.195 496 HE22 GLN 61 HE22 GLN 61 8.406 -10.153 -1.352 497 H ASP 62 H ASP 62 6.916 -7.225 0.346 498 HA ASP 62 HA ASP 62 5.330 -9.342 -0.738 499 HB2 ASP 62 HB2 ASP 62 6.555 -9.687 1.297 500 HB3 ASP 62 HB3 ASP 62 5.731 -8.358 2.099 501 H LEU 63 H LEU 63 4.385 -6.320 0.908 502 HA LEU 63 HA LEU 63 1.598 -6.816 0.898 503 HB2 LEU 63 HB2 LEU 63 2.796 -5.375 2.432 504 HB3 LEU 63 HB3 LEU 63 3.143 -4.222 1.161 505 HG LEU 63 HG LEU 63 1.348 -3.646 2.819 506 HD11 LEU 63 HD11 LEU 63 0.323 -3.636 -0.030 507 HD12 LEU 63 HD12 LEU 63 1.536 -2.505 0.624 508 HD13 LEU 63 HD13 LEU 63 -0.107 -2.536 1.287 509 HD21 LEU 63 HD21 LEU 63 -0.412 -5.577 1.266 510 HD22 LEU 63 HD22 LEU 63 -0.870 -4.526 2.625 511 HD23 LEU 63 HD23 LEU 63 0.233 -5.883 2.894 512 H TRP 64 H TRP 64 3.752 -5.091 -1.439 513 HA TRP 64 HA TRP 64 1.722 -4.256 -3.260 514 HB2 TRP 64 HB2 TRP 64 4.153 -3.527 -3.224 515 HB3 TRP 64 HB3 TRP 64 4.545 -5.042 -3.999 516 HD1 TRP 64 HD1 TRP 64 1.936 -2.231 -4.774 517 HE1 TRP 64 HE1 TRP 64 2.090 -1.636 -7.282 518 HE3 TRP 64 HE3 TRP 64 5.635 -5.468 -6.177 519 HZ2 TRP 64 HZ2 TRP 64 3.445 -2.607 -9.604 520 HZ3 TRP 64 HZ3 TRP 64 6.297 -5.656 -8.562 521 HH2 TRP 64 HH2 TRP 64 5.213 -4.232 -10.280 522 H GLN 65 H GLN 65 3.635 -7.301 -3.204 523 HA GLN 65 HA GLN 65 2.269 -8.654 -5.347 524 HB2 GLN 65 HB2 GLN 65 3.962 -9.410 -2.954 525 HB3 GLN 65 HB3 GLN 65 3.091 -10.671 -3.799 526 HG2 GLN 65 HG2 GLN 65 5.484 -10.341 -4.496 527 HG3 GLN 65 HG3 GLN 65 4.281 -10.437 -5.771 528 HE21 GLN 65 HE21 GLN 65 6.635 -8.246 -4.206 529 HE22 GLN 65 HE22 GLN 65 6.551 -7.062 -5.489 530 H TRP 66 H TRP 66 1.516 -8.429 -1.838 531 HA TRP 66 HA TRP 66 -0.689 -10.219 -1.820 532 HB2 TRP 66 HB2 TRP 66 0.661 -9.230 0.087 533 HB3 TRP 66 HB3 TRP 66 -0.311 -7.777 -0.066 534 HD1 TRP 66 HD1 TRP 66 -2.733 -10.451 -0.400 535 HE1 TRP 66 HE1 TRP 66 -3.844 -10.986 1.866 536 HE3 TRP 66 HE3 TRP 66 0.735 -8.353 2.725 537 HZ2 TRP 66 HZ2 TRP 66 -3.329 -10.496 4.655 538 HZ3 TRP 66 HZ3 TRP 66 0.418 -8.433 5.189 539 HH2 TRP 66 HH2 TRP 66 -1.600 -9.495 6.159 540 H ARG 67 H ARG 67 -0.594 -6.693 -2.588 541 HA ARG 67 HA ARG 67 -3.435 -6.795 -3.369 542 HB2 ARG 67 HB2 ARG 67 -3.430 -4.500 -3.737 543 HB3 ARG 67 HB3 ARG 67 -2.613 -4.841 -2.230 544 HG2 ARG 67 HG2 ARG 67 -1.432 -3.101 -3.120 545 HG3 ARG 67 HG3 ARG 67 -0.403 -4.473 -3.461 546 HD2 ARG 67 HD2 ARG 67 -2.358 -3.507 -5.572 547 HD3 ARG 67 HD3 ARG 67 -0.929 -2.529 -5.224 548 HE ARG 67 HE ARG 67 0.172 -5.007 -5.620 549 HH11 ARG 67 HH11 ARG 67 -1.874 -2.966 -7.692 550 HH12 ARG 67 HH12 ARG 67 -1.245 -3.736 -9.118 551 HH21 ARG 67 HH21 ARG 67 1.076 -5.686 -7.577 552 HH22 ARG 67 HH22 ARG 67 0.351 -5.101 -9.053 553 H LYS 68 H LYS 68 -0.673 -7.763 -5.039 554 HA LYS 68 HA LYS 68 -1.895 -7.438 -7.688 555 HB2 LYS 68 HB2 LYS 68 0.584 -7.904 -7.332 556 HB3 LYS 68 HB3 LYS 68 0.142 -9.532 -6.846 557 HG2 LYS 68 HG2 LYS 68 0.769 -9.703 -9.115 558 HG3 LYS 68 HG3 LYS 68 -0.987 -9.836 -9.090 559 HD2 LYS 68 HD2 LYS 68 -1.018 -7.309 -9.637 560 HD3 LYS 68 HD3 LYS 68 0.713 -7.462 -9.960 561 HE2 LYS 68 HE2 LYS 68 0.291 -9.088 -11.728 562 HE3 LYS 68 HE3 LYS 68 -1.425 -9.183 -11.289 563 HZ1 LYS 68 HZ1 LYS 68 -1.201 -7.772 -13.178 564 HZ2 LYS 68 HZ2 LYS 68 -0.067 -6.826 -12.463 565 HZ3 LYS 68 HZ3 LYS 68 -1.637 -6.836 -11.909 566 H SER 69 H SER 69 -1.799 -10.010 -5.186 567 HA SER 69 HA SER 69 -3.718 -11.705 -6.496 568 HB2 SER 69 HB2 SER 69 -2.999 -11.564 -3.549 569 HB3 SER 69 HB3 SER 69 -3.787 -12.915 -4.396 570 HG SER 69 HG SER 69 -1.685 -13.449 -4.373 571 H LEU 70 H LEU 70 -4.146 -9.386 -3.816 572 HA LEU 70 HA LEU 70 -5.842 -8.282 -2.943 573 HB2 LEU 70 HB2 LEU 70 -5.798 -7.764 -5.690 574 HB3 LEU 70 HB3 LEU 70 -7.508 -7.945 -5.340 575 HG LEU 70 HG LEU 70 -5.637 -6.112 -3.809 576 HD11 LEU 70 HD11 LEU 70 -7.613 -5.405 -6.009 577 HD12 LEU 70 HD12 LEU 70 -5.843 -5.424 -6.175 578 HD13 LEU 70 HD13 LEU 70 -6.601 -4.284 -5.061 579 HD21 LEU 70 HD21 LEU 70 -7.721 -5.052 -3.016 580 HD22 LEU 70 HD22 LEU 70 -7.695 -6.764 -2.565 581 HD23 LEU 70 HD23 LEU 70 -8.680 -6.229 -3.934 Start of MODEL 3 1 H GLN 1 H1 GLN 1 -36.595 -16.339 31.065 2 HA GLN 1 HA GLN 1 -37.303 -16.047 28.221 3 HB2 GLN 1 HB2 GLN 1 -37.376 -14.061 30.516 4 HB3 GLN 1 HB3 GLN 1 -37.160 -13.525 28.857 5 HG2 GLN 1 HG2 GLN 1 -39.551 -15.204 29.709 6 HG3 GLN 1 HG3 GLN 1 -39.513 -13.446 29.750 7 HE21 GLN 1 HE21 GLN 1 -41.155 -13.188 28.141 8 HE22 GLN 1 HE22 GLN 1 -40.856 -13.624 26.457 9 H GLU 2 H GLU 2 -35.700 -15.231 26.881 10 HA GLU 2 HA GLU 2 -32.934 -15.359 27.870 11 HB2 GLU 2 HB2 GLU 2 -34.075 -14.940 25.087 12 HB3 GLU 2 HB3 GLU 2 -32.364 -15.169 25.474 13 HG2 GLU 2 HG2 GLU 2 -32.805 -17.391 26.389 14 HG3 GLU 2 HG3 GLU 2 -34.533 -17.213 26.109 15 H SER 3 H SER 3 -33.933 -13.358 29.254 16 HA SER 3 HA SER 3 -33.643 -10.766 27.843 17 HB2 SER 3 HB2 SER 3 -34.623 -11.522 30.607 18 HB3 SER 3 HB3 SER 3 -34.560 -9.860 29.984 19 HG SER 3 HG SER 3 -36.601 -10.930 29.766 20 H PHE 4 H PHE 4 -31.793 -12.690 30.091 21 HA PHE 4 HA PHE 4 -29.827 -12.427 31.125 22 HB2 PHE 4 HB2 PHE 4 -29.297 -10.557 28.809 23 HB3 PHE 4 HB3 PHE 4 -28.071 -11.307 29.814 24 HD1 PHE 4 HD2 PHE 4 -27.575 -13.715 29.685 25 HD2 PHE 4 HD1 PHE 4 -30.456 -11.852 27.077 26 HE1 PHE 4 HE2 PHE 4 -27.468 -15.677 28.167 27 HE2 PHE 4 HE1 PHE 4 -30.349 -13.815 25.562 28 HZ PHE 4 HZ PHE 4 -28.866 -15.734 26.108 29 H LYS 5 H LYS 5 -27.966 -10.453 31.516 30 HA LYS 5 HA LYS 5 -29.253 -9.337 33.913 31 HB2 LYS 5 HB2 LYS 5 -27.245 -10.948 33.778 32 HB3 LYS 5 HB3 LYS 5 -26.285 -9.555 33.304 33 HG2 LYS 5 HG2 LYS 5 -26.867 -8.463 35.477 34 HG3 LYS 5 HG3 LYS 5 -27.862 -9.878 35.900 35 HD2 LYS 5 HD2 LYS 5 -25.823 -11.336 35.631 36 HD3 LYS 5 HD3 LYS 5 -24.865 -9.872 35.328 37 HE2 LYS 5 HE2 LYS 5 -25.578 -9.027 37.592 38 HE3 LYS 5 HE3 LYS 5 -26.369 -10.584 37.882 39 HZ1 LYS 5 HZ1 LYS 5 -24.124 -10.517 38.798 40 HZ2 LYS 5 HZ2 LYS 5 -23.475 -10.199 37.322 41 HZ3 LYS 5 HZ3 LYS 5 -24.182 -11.656 37.630 42 H LYS 6 H LYS 6 -27.119 -8.131 31.321 43 HA LYS 6 HA LYS 6 -28.122 -5.419 31.542 44 HB2 LYS 6 HB2 LYS 6 -26.437 -5.716 33.540 45 HB3 LYS 6 HB3 LYS 6 -25.185 -5.651 32.311 46 HG2 LYS 6 HG2 LYS 6 -26.247 -3.416 31.563 47 HG3 LYS 6 HG3 LYS 6 -27.294 -3.544 32.988 48 HD2 LYS 6 HD2 LYS 6 -25.192 -3.700 34.401 49 HD3 LYS 6 HD3 LYS 6 -24.251 -3.361 32.947 50 HE2 LYS 6 HE2 LYS 6 -26.268 -1.528 34.308 51 HE3 LYS 6 HE3 LYS 6 -24.510 -1.348 34.266 52 HZ1 LYS 6 HZ1 LYS 6 -26.416 -0.959 32.046 53 HZ2 LYS 6 HZ2 LYS 6 -24.841 -1.202 31.727 54 HZ3 LYS 6 HZ3 LYS 6 -25.265 0.089 32.621 55 H GLN 7 H GLN 7 -28.131 -7.013 29.315 56 HA GLN 7 HA GLN 7 -25.823 -6.442 27.604 57 HB2 GLN 7 HB2 GLN 7 -28.584 -7.497 26.888 58 HB3 GLN 7 HB3 GLN 7 -27.189 -7.397 25.803 59 HG2 GLN 7 HG2 GLN 7 -25.905 -8.874 27.396 60 HG3 GLN 7 HG3 GLN 7 -27.381 -9.067 28.343 61 HE21 GLN 7 HE21 GLN 7 -26.222 -11.343 27.478 62 HE22 GLN 7 HE22 GLN 7 -27.166 -12.029 26.165 63 H GLU 8 H GLU 8 -25.416 -4.701 26.399 64 HA GLU 8 HA GLU 8 -27.523 -2.583 26.114 65 HB2 GLU 8 HB2 GLU 8 -24.558 -2.285 26.790 66 HB3 GLU 8 HB3 GLU 8 -25.668 -0.948 26.471 67 HG2 GLU 8 HG2 GLU 8 -27.077 -1.695 28.399 68 HG3 GLU 8 HG3 GLU 8 -25.866 -2.910 28.779 69 H LYS 9 H LYS 9 -25.418 -4.494 24.330 70 HA LYS 9 HA LYS 9 -24.606 -4.447 22.248 71 HB2 LYS 9 HB2 LYS 9 -26.134 -4.114 20.487 72 HB3 LYS 9 HB3 LYS 9 -26.873 -4.984 21.809 73 HG2 LYS 9 HG2 LYS 9 -28.203 -2.998 22.403 74 HG3 LYS 9 HG3 LYS 9 -27.399 -2.056 21.126 75 HD2 LYS 9 HD2 LYS 9 -28.278 -3.620 19.411 76 HD3 LYS 9 HD3 LYS 9 -29.033 -4.599 20.679 77 HE2 LYS 9 HE2 LYS 9 -30.456 -2.675 21.322 78 HE3 LYS 9 HE3 LYS 9 -29.718 -1.700 20.051 79 HZ1 LYS 9 HZ1 LYS 9 -31.275 -4.188 19.590 80 HZ2 LYS 9 HZ2 LYS 9 -30.646 -3.269 18.402 81 HZ3 LYS 9 HZ3 LYS 9 -31.840 -2.661 19.343 82 H THR 10 H THR 10 -23.505 -2.450 23.711 83 HA THR 10 HA THR 10 -23.278 -0.006 22.216 84 HB THR 10 HB THR 10 -21.286 0.321 23.853 85 HG1 THR 10 HG1 THR 10 -21.703 -0.986 25.762 86 HG21 THR 10 HG21 THR 10 -23.418 1.437 24.201 87 HG22 THR 10 HG22 THR 10 -22.884 0.778 25.743 88 HG23 THR 10 HG23 THR 10 -24.155 -0.053 24.822 89 HA PRO 11 HA PRO 11 -20.352 -1.282 19.196 90 HB2 PRO 11 HB2 PRO 11 -19.193 1.495 19.353 91 HB3 PRO 11 HB3 PRO 11 -19.712 0.556 17.915 92 HG2 PRO 11 HG2 PRO 11 -21.331 2.464 18.907 93 HG3 PRO 11 HG3 PRO 11 -22.037 0.864 18.495 94 HD2 PRO 11 HD2 PRO 11 -21.093 1.858 21.208 95 HD3 PRO 11 HD3 PRO 11 -22.671 1.158 20.750 96 H LYS 12 H LYS 12 -18.891 -2.732 19.784 97 HA LYS 12 HA LYS 12 -16.284 -1.955 21.015 98 HB2 LYS 12 HB2 LYS 12 -18.176 -4.077 22.098 99 HB3 LYS 12 HB3 LYS 12 -16.495 -3.844 22.619 100 HG2 LYS 12 HG2 LYS 12 -17.039 -1.502 23.268 101 HG3 LYS 12 HG3 LYS 12 -18.741 -1.809 22.889 102 HD2 LYS 12 HD2 LYS 12 -18.810 -3.607 24.564 103 HD3 LYS 12 HD3 LYS 12 -17.112 -3.271 24.993 104 HE2 LYS 12 HE2 LYS 12 -17.701 -0.938 25.538 105 HE3 LYS 12 HE3 LYS 12 -19.385 -1.231 25.077 106 HZ1 LYS 12 HZ1 LYS 12 -17.967 -2.661 27.249 107 HZ2 LYS 12 HZ2 LYS 12 -19.579 -2.810 26.890 108 HZ3 LYS 12 HZ3 LYS 12 -18.961 -1.404 27.519 109 H THR 13 H THR 13 -16.693 -2.506 18.349 110 HA THR 13 HA THR 13 -14.934 -4.872 17.964 111 HB THR 13 HB THR 13 -17.416 -4.408 16.274 112 HG1 THR 13 HG1 THR 13 -18.108 -6.283 17.124 113 HG21 THR 13 HG21 THR 13 -16.789 -6.596 15.263 114 HG22 THR 13 HG22 THR 13 -15.283 -6.600 16.205 115 HG23 THR 13 HG23 THR 13 -15.554 -5.383 14.941 116 HA PRO 14 HA PRO 14 -13.504 -1.031 15.788 117 HB2 PRO 14 HB2 PRO 14 -10.914 -0.999 16.623 118 HB3 PRO 14 HB3 PRO 14 -12.267 -0.417 17.643 119 HG2 PRO 14 HG2 PRO 14 -10.925 -3.137 17.712 120 HG3 PRO 14 HG3 PRO 14 -11.279 -2.039 19.087 121 HD2 PRO 14 HD2 PRO 14 -12.913 -4.112 18.389 122 HD3 PRO 14 HD3 PRO 14 -13.565 -2.582 19.054 123 H LYS 15 H LYS 15 -12.021 -0.790 14.037 124 HA LYS 15 HA LYS 15 -11.396 -3.347 12.614 125 HB2 LYS 15 HB2 LYS 15 -12.919 -0.920 11.814 126 HB3 LYS 15 HB3 LYS 15 -11.761 -1.474 10.629 127 HG2 LYS 15 HG2 LYS 15 -13.753 -2.579 10.067 128 HG3 LYS 15 HG3 LYS 15 -12.709 -3.791 10.785 129 HD2 LYS 15 HD2 LYS 15 -14.875 -4.205 11.643 130 HD3 LYS 15 HD3 LYS 15 -14.013 -3.444 12.978 131 HE2 LYS 15 HE2 LYS 15 -15.067 -1.241 12.313 132 HE3 LYS 15 HE3 LYS 15 -15.929 -2.090 11.023 133 HZ1 LYS 15 HZ1 LYS 15 -17.400 -1.980 12.872 134 HZ2 LYS 15 HZ2 LYS 15 -16.255 -2.511 13.939 135 HZ3 LYS 15 HZ3 LYS 15 -16.884 -3.529 12.820 136 H GLY 16 H GLY 16 -9.790 -0.849 14.023 137 HA2 GLY 16 HA2 GLY 16 -7.498 -0.791 12.113 138 HA3 GLY 16 HA3 GLY 16 -7.801 0.300 13.454 139 HA PRO 17 HA PRO 17 -5.461 -3.724 15.180 140 HB2 PRO 17 HB2 PRO 17 -3.969 -4.129 12.590 141 HB3 PRO 17 HB3 PRO 17 -4.370 -5.321 13.862 142 HG2 PRO 17 HG2 PRO 17 -5.831 -5.221 11.587 143 HG3 PRO 17 HG3 PRO 17 -6.645 -5.408 13.177 144 HD2 PRO 17 HD2 PRO 17 -6.350 -2.898 11.515 145 HD3 PRO 17 HD3 PRO 17 -7.751 -3.532 12.423 146 H SER 18 H SER 18 -2.870 -3.999 15.259 147 HA SER 18 HA SER 18 -1.742 -1.232 15.428 148 HB2 SER 18 HB2 SER 18 -1.151 -3.778 16.959 149 HB3 SER 18 HB3 SER 18 -0.197 -2.290 17.099 150 HG SER 18 HG SER 18 -1.758 -2.436 18.692 151 H SER 19 H SER 19 -1.124 -4.386 13.978 152 HA SER 19 HA SER 19 1.471 -3.393 12.848 153 HB2 SER 19 HB2 SER 19 1.375 -5.467 14.337 154 HB3 SER 19 HB3 SER 19 0.576 -6.278 12.968 155 HG SER 19 HG SER 19 3.059 -6.164 13.261 156 H VAL 20 H VAL 20 1.680 -5.224 10.727 157 HA VAL 20 HA VAL 20 0.780 -3.640 8.652 158 HB VAL 20 HB VAL 20 1.362 -6.621 8.416 159 HG11 VAL 20 HG11 VAL 20 0.452 -5.785 6.308 160 HG12 VAL 20 HG12 VAL 20 1.546 -4.384 6.355 161 HG13 VAL 20 HG13 VAL 20 2.182 -6.033 6.136 162 HG21 VAL 20 HG21 VAL 20 3.679 -5.869 7.859 163 HG22 VAL 20 HG22 VAL 20 3.227 -4.216 8.326 164 HG23 VAL 20 HG23 VAL 20 3.239 -5.520 9.533 165 H GLU 21 H GLU 21 -1.124 -6.244 10.084 166 HA GLU 21 HA GLU 21 -3.130 -6.500 8.073 167 HB2 GLU 21 HB2 GLU 21 -3.267 -6.748 11.097 168 HB3 GLU 21 HB3 GLU 21 -4.609 -7.157 10.042 169 HG2 GLU 21 HG2 GLU 21 -1.862 -8.468 10.010 170 HG3 GLU 21 HG3 GLU 21 -3.323 -9.141 10.720 171 H ASP 22 H ASP 22 -2.515 -3.771 10.177 172 HA ASP 22 HA ASP 22 -5.105 -2.483 9.915 173 HB2 ASP 22 HB2 ASP 22 -3.562 -2.009 11.769 174 HB3 ASP 22 HB3 ASP 22 -2.358 -1.405 10.639 175 H ILE 23 H ILE 23 -1.902 -1.717 8.279 176 HA ILE 23 HA ILE 23 -3.202 -0.036 6.353 177 HB ILE 23 HB ILE 23 -0.825 0.154 6.707 178 HG12 ILE 23 HG12 ILE 23 -1.213 -0.736 3.830 179 HG13 ILE 23 HG13 ILE 23 -1.960 0.723 4.476 180 HG21 ILE 23 HG21 ILE 23 -0.181 -2.175 7.097 181 HG22 ILE 23 HG22 ILE 23 -0.532 -2.599 5.402 182 HG23 ILE 23 HG23 ILE 23 0.791 -1.492 5.806 183 HD11 ILE 23 HD11 ILE 23 0.095 1.288 3.315 184 HD12 ILE 23 HD12 ILE 23 0.263 1.643 5.043 185 HD13 ILE 23 HD13 ILE 23 1.038 0.200 4.345 186 H LYS 24 H LYS 24 -2.730 -3.550 6.399 187 HA LYS 24 HA LYS 24 -3.624 -4.061 3.728 188 HB2 LYS 24 HB2 LYS 24 -2.525 -5.624 5.488 189 HB3 LYS 24 HB3 LYS 24 -4.140 -5.827 6.153 190 HG2 LYS 24 HG2 LYS 24 -3.553 -7.664 4.750 191 HG3 LYS 24 HG3 LYS 24 -4.899 -6.792 3.996 192 HD2 LYS 24 HD2 LYS 24 -3.531 -5.935 2.273 193 HD3 LYS 24 HD3 LYS 24 -2.032 -6.193 3.179 194 HE2 LYS 24 HE2 LYS 24 -3.827 -8.463 2.171 195 HE3 LYS 24 HE3 LYS 24 -2.466 -7.800 1.254 196 HZ1 LYS 24 HZ1 LYS 24 -2.230 -9.106 3.913 197 HZ2 LYS 24 HZ2 LYS 24 -1.006 -8.379 3.105 198 HZ3 LYS 24 HZ3 LYS 24 -1.714 -9.726 2.506 199 H ALA 25 H ALA 25 -5.525 -3.879 6.781 200 HA ALA 25 HA ALA 25 -8.096 -4.158 5.546 201 HB1 ALA 25 HB1 ALA 25 -7.218 -2.889 8.180 202 HB2 ALA 25 HB2 ALA 25 -8.892 -3.254 7.724 203 HB3 ALA 25 HB3 ALA 25 -7.722 -4.575 7.918 204 H LYS 26 H LYS 26 -6.202 -1.218 6.412 205 HA LYS 26 HA LYS 26 -8.282 0.616 5.569 206 HB2 LYS 26 HB2 LYS 26 -5.435 0.862 6.529 207 HB3 LYS 26 HB3 LYS 26 -6.209 2.233 5.759 208 HG2 LYS 26 HG2 LYS 26 -6.395 2.340 8.189 209 HG3 LYS 26 HG3 LYS 26 -7.959 2.342 7.372 210 HD2 LYS 26 HD2 LYS 26 -8.287 -0.035 7.993 211 HD3 LYS 26 HD3 LYS 26 -6.716 -0.045 8.811 212 HE2 LYS 26 HE2 LYS 26 -9.023 1.811 9.519 213 HE3 LYS 26 HE3 LYS 26 -8.699 0.265 10.317 214 HZ1 LYS 26 HZ1 LYS 26 -7.736 2.087 11.548 215 HZ2 LYS 26 HZ2 LYS 26 -6.838 2.588 10.288 216 HZ3 LYS 26 HZ3 LYS 26 -6.506 1.134 10.966 217 H MET 27 H MET 27 -5.517 -0.760 3.788 218 HA MET 27 HA MET 27 -6.068 0.810 1.407 219 HB2 MET 27 HB2 MET 27 -4.619 -1.821 1.822 220 HB3 MET 27 HB3 MET 27 -4.748 -1.030 0.254 221 HG2 MET 27 HG2 MET 27 -3.646 0.560 2.572 222 HG3 MET 27 HG3 MET 27 -2.659 -0.688 1.833 223 HE1 MET 27 HE1 MET 27 -4.399 2.738 1.411 224 HE2 MET 27 HE2 MET 27 -3.866 3.297 -0.186 225 HE3 MET 27 HE3 MET 27 -5.117 2.051 -0.070 226 H GLN 28 H GLN 28 -7.252 -2.418 2.536 227 HA GLN 28 HA GLN 28 -8.971 -2.869 0.245 228 HB2 GLN 28 HB2 GLN 28 -8.846 -3.829 3.097 229 HB3 GLN 28 HB3 GLN 28 -10.349 -4.042 2.241 230 HG2 GLN 28 HG2 GLN 28 -8.584 -5.960 2.233 231 HG3 GLN 28 HG3 GLN 28 -9.575 -5.630 0.826 232 HE21 GLN 28 HE21 GLN 28 -6.314 -4.693 2.122 233 HE22 GLN 28 HE22 GLN 28 -5.560 -4.818 0.527 234 H ALA 29 H ALA 29 -9.594 -1.159 3.376 235 HA ALA 29 HA ALA 29 -12.212 -0.350 2.755 236 HB1 ALA 29 HB1 ALA 29 -11.201 -0.195 5.005 237 HB2 ALA 29 HB2 ALA 29 -10.117 1.096 4.430 238 HB3 ALA 29 HB3 ALA 29 -11.857 1.372 4.479 239 H SER 30 H SER 30 -9.112 1.312 1.980 240 HA SER 30 HA SER 30 -10.152 3.599 0.679 241 HB2 SER 30 HB2 SER 30 -7.648 1.996 0.008 242 HB3 SER 30 HB3 SER 30 -8.037 3.597 -0.613 243 HG SER 30 HG SER 30 -7.732 2.942 2.152 244 H ILE 31 H ILE 31 -9.540 0.327 -0.687 245 HA ILE 31 HA ILE 31 -10.408 0.963 -3.362 246 HB ILE 31 HB ILE 31 -10.129 -1.648 -1.839 247 HG12 ILE 31 HG12 ILE 31 -8.507 -0.518 -4.167 248 HG13 ILE 31 HG13 ILE 31 -8.075 -0.255 -2.484 249 HG21 ILE 31 HG21 ILE 31 -11.875 -2.010 -3.549 250 HG22 ILE 31 HG22 ILE 31 -10.809 -1.314 -4.796 251 HG23 ILE 31 HG23 ILE 31 -10.399 -2.838 -3.992 252 HD11 ILE 31 HD11 ILE 31 -7.902 -2.726 -2.142 253 HD12 ILE 31 HD12 ILE 31 -8.166 -2.947 -3.890 254 HD13 ILE 31 HD13 ILE 31 -6.746 -2.066 -3.315 255 H GLU 32 H GLU 32 -12.178 -0.347 -0.513 256 HA GLU 32 HA GLU 32 -14.738 -0.447 -1.854 257 HB2 GLU 32 HB2 GLU 32 -14.055 -0.339 1.105 258 HB3 GLU 32 HB3 GLU 32 -15.655 -0.656 0.456 259 HG2 GLU 32 HG2 GLU 32 -13.201 -2.418 0.143 260 HG3 GLU 32 HG3 GLU 32 -14.619 -2.737 1.130 261 H LYS 33 H LYS 33 -13.053 2.200 -0.397 262 HA LYS 33 HA LYS 33 -15.452 3.963 -0.558 263 HB2 LYS 33 HB2 LYS 33 -12.857 4.190 1.010 264 HB3 LYS 33 HB3 LYS 33 -14.083 5.460 0.935 265 HG2 LYS 33 HG2 LYS 33 -15.789 3.978 1.832 266 HG3 LYS 33 HG3 LYS 33 -14.665 2.625 1.904 267 HD2 LYS 33 HD2 LYS 33 -13.364 3.592 3.630 268 HD3 LYS 33 HD3 LYS 33 -14.089 5.199 3.414 269 HE2 LYS 33 HE2 LYS 33 -16.245 4.438 4.203 270 HE3 LYS 33 HE3 LYS 33 -15.708 2.753 4.231 271 HZ1 LYS 33 HZ1 LYS 33 -14.265 3.221 6.030 272 HZ2 LYS 33 HZ2 LYS 33 -15.723 3.834 6.430 273 HZ3 LYS 33 HZ3 LYS 33 -14.535 4.862 5.966 274 H GLY 34 H GLY 34 -13.273 3.197 -2.744 275 HA2 GLY 34 HA2 GLY 34 -13.204 4.160 -4.850 276 HA3 GLY 34 HA3 GLY 34 -13.976 5.606 -4.202 277 H GLY 35 H GLY 35 -11.013 4.756 -2.594 278 HA2 GLY 35 HA2 GLY 35 -9.707 7.200 -3.560 279 HA3 GLY 35 HA3 GLY 35 -9.063 6.013 -2.429 280 H SER 36 H SER 36 -7.612 7.257 -4.608 281 HA SER 36 HA SER 36 -7.139 5.021 -6.516 282 HB2 SER 36 HB2 SER 36 -5.757 6.634 -7.775 283 HB3 SER 36 HB3 SER 36 -7.467 7.051 -7.650 284 HG SER 36 HG SER 36 -5.989 8.813 -7.358 285 H LEU 37 H LEU 37 -5.015 4.258 -6.984 286 HA LEU 37 HA LEU 37 -2.890 4.717 -4.984 287 HB2 LEU 37 HB2 LEU 37 -4.408 2.931 -4.113 288 HB3 LEU 37 HB3 LEU 37 -4.150 2.011 -5.590 289 HG LEU 37 HG LEU 37 -1.707 1.810 -4.955 290 HD11 LEU 37 HD11 LEU 37 -1.084 2.263 -2.610 291 HD12 LEU 37 HD12 LEU 37 -2.689 2.952 -2.299 292 HD13 LEU 37 HD13 LEU 37 -1.572 3.771 -3.398 293 HD21 LEU 37 HD21 LEU 37 -3.306 0.012 -4.490 294 HD22 LEU 37 HD22 LEU 37 -3.800 0.803 -2.978 295 HD23 LEU 37 HD23 LEU 37 -2.162 0.150 -3.138 296 HA PRO 38 HA PRO 38 -0.692 4.361 -8.822 297 HB2 PRO 38 HB2 PRO 38 1.778 3.651 -7.288 298 HB3 PRO 38 HB3 PRO 38 1.515 4.964 -8.474 299 HG2 PRO 38 HG2 PRO 38 1.586 5.533 -5.822 300 HG3 PRO 38 HG3 PRO 38 0.338 6.285 -6.860 301 HD2 PRO 38 HD2 PRO 38 0.075 3.813 -5.121 302 HD3 PRO 38 HD3 PRO 38 -0.957 5.274 -5.168 303 H LYS 39 H LYS 39 0.488 2.993 -10.266 304 HA LYS 39 HA LYS 39 0.430 0.059 -9.663 305 HB2 LYS 39 HB2 LYS 39 -1.171 0.784 -11.375 306 HB3 LYS 39 HB3 LYS 39 0.125 1.544 -12.311 307 HG2 LYS 39 HG2 LYS 39 1.148 -0.591 -12.777 308 HG3 LYS 39 HG3 LYS 39 0.127 -1.409 -11.599 309 HD2 LYS 39 HD2 LYS 39 -0.653 -1.981 -13.769 310 HD3 LYS 39 HD3 LYS 39 -1.871 -0.910 -13.056 311 HE2 LYS 39 HE2 LYS 39 -1.066 0.977 -14.378 312 HE3 LYS 39 HE3 LYS 39 0.353 0.064 -14.905 313 HZ1 LYS 39 HZ1 LYS 39 -1.090 -1.416 -16.150 314 HZ2 LYS 39 HZ2 LYS 39 -1.386 0.150 -16.594 315 HZ3 LYS 39 HZ3 LYS 39 -2.441 -0.626 -15.649 316 H VAL 40 H VAL 40 2.442 2.734 -10.713 317 HA VAL 40 HA VAL 40 4.739 1.009 -11.334 318 HB VAL 40 HB VAL 40 4.078 3.067 -12.612 319 HG11 VAL 40 HG11 VAL 40 5.421 4.590 -10.346 320 HG12 VAL 40 HG12 VAL 40 4.729 5.241 -11.843 321 HG13 VAL 40 HG13 VAL 40 3.665 4.548 -10.619 322 HG21 VAL 40 HG21 VAL 40 6.378 3.782 -13.044 323 HG22 VAL 40 HG22 VAL 40 6.921 2.939 -11.576 324 HG23 VAL 40 HG23 VAL 40 6.242 2.024 -12.938 325 H GLU 41 H GLU 41 6.649 0.836 -10.198 326 HA GLU 41 HA GLU 41 6.101 0.424 -7.514 327 HB2 GLU 41 HB2 GLU 41 8.253 -0.552 -7.294 328 HB3 GLU 41 HB3 GLU 41 7.573 -0.952 -8.869 329 HG2 GLU 41 HG2 GLU 41 9.043 0.753 -9.933 330 HG3 GLU 41 HG3 GLU 41 9.713 1.142 -8.354 331 H ALA 42 H ALA 42 8.326 3.082 -8.668 332 HA ALA 42 HA ALA 42 9.044 3.721 -5.959 333 HB1 ALA 42 HB1 ALA 42 10.444 4.321 -7.875 334 HB2 ALA 42 HB2 ALA 42 9.206 5.471 -8.444 335 HB3 ALA 42 HB3 ALA 42 10.032 5.736 -6.896 336 H LYS 43 H LYS 43 6.553 5.135 -8.123 337 HA LYS 43 HA LYS 43 5.617 7.075 -6.196 338 HB2 LYS 43 HB2 LYS 43 4.063 5.743 -8.457 339 HB3 LYS 43 HB3 LYS 43 3.538 7.145 -7.505 340 HG2 LYS 43 HG2 LYS 43 5.529 8.404 -8.256 341 HG3 LYS 43 HG3 LYS 43 5.994 7.029 -9.280 342 HD2 LYS 43 HD2 LYS 43 3.833 7.245 -10.516 343 HD3 LYS 43 HD3 LYS 43 3.421 8.650 -9.516 344 HE2 LYS 43 HE2 LYS 43 5.376 9.872 -10.375 345 HE3 LYS 43 HE3 LYS 43 5.870 8.460 -11.329 346 HZ1 LYS 43 HZ1 LYS 43 3.832 8.649 -12.590 347 HZ2 LYS 43 HZ2 LYS 43 4.587 10.131 -12.632 348 HZ3 LYS 43 HZ3 LYS 43 3.281 9.871 -11.674 349 H PHE 44 H PHE 44 4.793 3.642 -6.753 350 HA PHE 44 HA PHE 44 2.697 3.559 -4.841 351 HB2 PHE 44 HB2 PHE 44 2.980 1.807 -6.507 352 HB3 PHE 44 HB3 PHE 44 4.571 1.408 -5.899 353 HD1 PHE 44 HD2 PHE 44 0.931 1.221 -5.166 354 HD2 PHE 44 HD1 PHE 44 4.886 -0.071 -4.024 355 HE1 PHE 44 HE2 PHE 44 -0.052 -0.496 -3.663 356 HE2 PHE 44 HE1 PHE 44 3.895 -1.789 -2.529 357 HZ PHE 44 HZ PHE 44 1.419 -1.998 -2.351 358 H ILE 45 H ILE 45 6.218 2.854 -4.454 359 HA ILE 45 HA ILE 45 6.159 2.319 -1.660 360 HB ILE 45 HB ILE 45 8.340 3.383 -3.485 361 HG12 ILE 45 HG12 ILE 45 8.098 0.655 -2.148 362 HG13 ILE 45 HG13 ILE 45 7.355 0.977 -3.702 363 HG21 ILE 45 HG21 ILE 45 8.574 2.539 -0.558 364 HG22 ILE 45 HG22 ILE 45 9.953 2.765 -1.644 365 HG23 ILE 45 HG23 ILE 45 8.942 4.143 -1.238 366 HD11 ILE 45 HD11 ILE 45 9.576 1.571 -4.660 367 HD12 ILE 45 HD12 ILE 45 10.338 1.119 -3.117 368 HD13 ILE 45 HD13 ILE 45 9.477 -0.097 -4.070 369 H ASN 46 H ASN 46 6.761 5.502 -3.302 370 HA ASN 46 HA ASN 46 6.907 7.081 -0.954 371 HB2 ASN 46 HB2 ASN 46 7.484 8.063 -3.049 372 HB3 ASN 46 HB3 ASN 46 5.937 7.652 -3.781 373 HD21 ASN 46 HD21 ASN 46 4.263 9.147 -3.680 374 HD22 ASN 46 HD22 ASN 46 4.218 10.476 -2.542 375 H TYR 47 H TYR 47 3.973 6.062 -2.775 376 HA TYR 47 HA TYR 47 2.243 7.574 -1.054 377 HB2 TYR 47 HB2 TYR 47 1.895 6.969 -3.477 378 HB3 TYR 47 HB3 TYR 47 1.330 5.386 -2.918 379 HD1 TYR 47 HD1 TYR 47 0.739 9.027 -3.041 380 HD2 TYR 47 HD2 TYR 47 -0.854 5.269 -1.626 381 HE1 TYR 47 HE1 TYR 47 -1.402 10.142 -2.485 382 HE2 TYR 47 HE2 TYR 47 -3.011 6.395 -1.097 383 HH TYR 47 HH TYR 47 -3.429 9.941 -1.500 384 H VAL 48 H VAL 48 3.238 4.120 -0.996 385 HA VAL 48 HA VAL 48 1.585 3.379 1.257 386 HB VAL 48 HB VAL 48 4.170 2.283 0.118 387 HG11 VAL 48 HG11 VAL 48 3.848 0.333 1.691 388 HG12 VAL 48 HG12 VAL 48 4.403 1.814 2.470 389 HG13 VAL 48 HG13 VAL 48 2.697 1.333 2.613 390 HG21 VAL 48 HG21 VAL 48 2.025 1.842 -1.088 391 HG22 VAL 48 HG22 VAL 48 2.731 0.365 -0.428 392 HG23 VAL 48 HG23 VAL 48 1.352 1.126 0.394 393 H LYS 49 H LYS 49 4.880 4.815 1.076 394 HA LYS 49 HA LYS 49 5.211 5.047 3.941 395 HB2 LYS 49 HB2 LYS 49 6.483 6.508 1.597 396 HB3 LYS 49 HB3 LYS 49 6.933 6.778 3.285 397 HG2 LYS 49 HG2 LYS 49 7.551 4.413 3.547 398 HG3 LYS 49 HG3 LYS 49 7.091 4.061 1.885 399 HD2 LYS 49 HD2 LYS 49 8.846 5.481 1.014 400 HD3 LYS 49 HD3 LYS 49 9.199 6.118 2.635 401 HE2 LYS 49 HE2 LYS 49 9.743 3.706 3.319 402 HE3 LYS 49 HE3 LYS 49 9.712 3.294 1.599 403 HZ1 LYS 49 HZ1 LYS 49 11.483 5.300 2.884 404 HZ2 LYS 49 HZ2 LYS 49 11.494 4.955 1.274 405 HZ3 LYS 49 HZ3 LYS 49 11.959 3.820 2.370 406 H ASN 50 H ASN 50 3.255 6.893 1.738 407 HA ASN 50 HA ASN 50 2.570 8.933 3.762 408 HB2 ASN 50 HB2 ASN 50 2.213 9.976 1.822 409 HB3 ASN 50 HB3 ASN 50 2.111 8.509 0.890 410 HD21 ASN 50 HD21 ASN 50 -0.024 7.353 0.834 411 HD22 ASN 50 HD22 ASN 50 -1.454 8.354 0.972 412 H CYS 51 H CYS 51 1.021 5.920 2.482 413 HA CYS 51 HA CYS 51 -1.342 6.215 4.038 414 HB2 CYS 51 HB2 CYS 51 -0.045 3.815 2.695 415 HB3 CYS 51 HB3 CYS 51 -1.605 3.724 3.530 416 HG CYS 51 HG CYS 51 -2.849 5.522 2.226 417 H PHE 52 H PHE 52 1.750 4.659 4.899 418 HA PHE 52 HA PHE 52 0.827 5.021 7.674 419 HB2 PHE 52 HB2 PHE 52 0.409 2.699 7.470 420 HB3 PHE 52 HB3 PHE 52 1.966 2.409 6.699 421 HD1 PHE 52 HD1 PHE 52 0.913 4.255 9.850 422 HD2 PHE 52 HD2 PHE 52 3.346 1.137 8.110 423 HE1 PHE 52 HE1 PHE 52 2.091 3.959 12.008 424 HE2 PHE 52 HE2 PHE 52 4.511 0.850 10.269 425 HZ PHE 52 HZ PHE 52 3.912 2.286 12.214 426 H ARG 53 H ARG 53 3.899 3.489 6.818 427 HA ARG 53 HA ARG 53 5.479 5.944 7.090 428 HB2 ARG 53 HB2 ARG 53 4.682 5.343 9.475 429 HB3 ARG 53 HB3 ARG 53 5.694 3.905 9.359 430 HG2 ARG 53 HG2 ARG 53 7.666 5.409 8.904 431 HG3 ARG 53 HG3 ARG 53 6.599 6.810 9.096 432 HD2 ARG 53 HD2 ARG 53 6.080 6.039 11.428 433 HD3 ARG 53 HD3 ARG 53 7.232 4.714 11.211 434 HE ARG 53 HE ARG 53 8.114 7.558 10.861 435 HH11 ARG 53 HH11 ARG 53 8.795 4.443 12.435 436 HH12 ARG 53 HH12 ARG 53 10.110 5.197 13.331 437 HH21 ARG 53 HH21 ARG 53 9.751 8.337 12.268 438 HH22 ARG 53 HH22 ARG 53 10.584 7.129 13.221 439 H MET 54 H MET 54 5.811 2.476 7.732 440 HA MET 54 HA MET 54 7.019 0.809 6.921 441 HB2 MET 54 HB2 MET 54 6.051 2.198 4.434 442 HB3 MET 54 HB3 MET 54 6.917 0.662 4.357 443 HG2 MET 54 HG2 MET 54 4.409 1.097 6.010 444 HG3 MET 54 HG3 MET 54 4.449 0.392 4.395 445 HE1 MET 54 HE1 MET 54 3.053 -1.615 5.329 446 HE2 MET 54 HE2 MET 54 3.588 -2.702 6.628 447 HE3 MET 54 HE3 MET 54 3.112 -1.036 7.013 448 H THR 55 H THR 55 9.015 0.530 7.451 449 HA THR 55 HA THR 55 11.090 1.179 5.387 450 HB THR 55 HB THR 55 12.794 0.722 7.114 451 HG1 THR 55 HG1 THR 55 12.017 0.865 9.315 452 HG21 THR 55 HG21 THR 55 10.869 2.952 7.870 453 HG22 THR 55 HG22 THR 55 12.172 3.044 6.671 454 HG23 THR 55 HG23 THR 55 12.569 2.816 8.381 455 H ASP 56 H ASP 56 9.242 -1.329 6.918 456 HA ASP 56 HA ASP 56 11.119 -3.495 6.533 457 HB2 ASP 56 HB2 ASP 56 8.112 -3.433 6.966 458 HB3 ASP 56 HB3 ASP 56 9.074 -4.911 6.941 459 H GLN 57 H GLN 57 11.877 -3.704 4.425 460 HA GLN 57 HA GLN 57 10.224 -3.371 2.177 461 HB2 GLN 57 HB2 GLN 57 12.948 -3.761 2.583 462 HB3 GLN 57 HB3 GLN 57 12.462 -5.153 1.619 463 HG2 GLN 57 HG2 GLN 57 11.867 -2.239 0.950 464 HG3 GLN 57 HG3 GLN 57 13.207 -3.148 0.281 465 HE21 GLN 57 HE21 GLN 57 10.688 -1.862 -0.924 466 HE22 GLN 57 HE22 GLN 57 10.065 -3.133 -1.966 467 H GLU 58 H GLU 58 10.838 -6.390 3.970 468 HA GLU 58 HA GLU 58 9.463 -8.166 2.276 469 HB2 GLU 58 HB2 GLU 58 8.949 -9.462 4.315 470 HB3 GLU 58 HB3 GLU 58 10.645 -9.022 4.124 471 HG2 GLU 58 HG2 GLU 58 10.558 -7.423 5.890 472 HG3 GLU 58 HG3 GLU 58 8.798 -7.425 5.924 473 H ALA 59 H ALA 59 7.963 -5.741 4.454 474 HA ALA 59 HA ALA 59 5.252 -6.771 3.866 475 HB1 ALA 59 HB1 ALA 59 6.118 -4.261 5.338 476 HB2 ALA 59 HB2 ALA 59 4.461 -4.887 5.161 477 HB3 ALA 59 HB3 ALA 59 5.666 -5.819 6.083 478 H ILE 60 H ILE 60 7.384 -4.064 2.888 479 HA ILE 60 HA ILE 60 5.518 -2.687 1.206 480 HB ILE 60 HB ILE 60 8.520 -2.923 1.088 481 HG12 ILE 60 HG12 ILE 60 6.808 -0.617 2.103 482 HG13 ILE 60 HG13 ILE 60 7.460 -1.869 3.150 483 HG21 ILE 60 HG21 ILE 60 8.467 -0.887 -0.356 484 HG22 ILE 60 HG22 ILE 60 7.670 -2.231 -1.145 485 HG23 ILE 60 HG23 ILE 60 6.691 -0.958 -0.384 486 HD11 ILE 60 HD11 ILE 60 8.951 -0.014 3.298 487 HD12 ILE 60 HD12 ILE 60 9.780 -1.276 2.374 488 HD13 ILE 60 HD13 ILE 60 9.083 0.128 1.537 489 H GLN 61 H GLN 61 7.816 -5.353 0.366 490 HA GLN 61 HA GLN 61 6.709 -5.572 -2.286 491 HB2 GLN 61 HB2 GLN 61 8.194 -7.334 -2.662 492 HB3 GLN 61 HB3 GLN 61 9.021 -6.146 -1.681 493 HG2 GLN 61 HG2 GLN 61 9.714 -8.078 -0.669 494 HG3 GLN 61 HG3 GLN 61 8.345 -7.651 0.338 495 HE21 GLN 61 HE21 GLN 61 7.129 -9.491 0.861 496 HE22 GLN 61 HE22 GLN 61 6.878 -10.837 -0.272 497 H ASP 62 H ASP 62 5.819 -7.202 0.807 498 HA ASP 62 HA ASP 62 4.050 -9.085 -0.480 499 HB2 ASP 62 HB2 ASP 62 4.824 -9.129 1.918 500 HB3 ASP 62 HB3 ASP 62 3.679 -7.841 2.279 501 H LEU 63 H LEU 63 3.607 -5.741 0.622 502 HA LEU 63 HA LEU 63 0.841 -5.490 -0.084 503 HB2 LEU 63 HB2 LEU 63 3.125 -3.631 0.518 504 HB3 LEU 63 HB3 LEU 63 1.583 -2.964 -0.032 505 HG LEU 63 HG LEU 63 1.874 -4.759 2.420 506 HD11 LEU 63 HD11 LEU 63 1.658 -1.722 2.238 507 HD12 LEU 63 HD12 LEU 63 3.100 -2.645 2.726 508 HD13 LEU 63 HD13 LEU 63 1.642 -2.692 3.730 509 HD21 LEU 63 HD21 LEU 63 -0.421 -4.747 1.513 510 HD22 LEU 63 HD22 LEU 63 -0.411 -2.968 1.478 511 HD23 LEU 63 HD23 LEU 63 -0.347 -3.841 3.025 512 H TRP 64 H TRP 64 3.885 -4.882 -1.874 513 HA TRP 64 HA TRP 64 2.747 -3.794 -4.253 514 HB2 TRP 64 HB2 TRP 64 5.199 -3.855 -3.498 515 HB3 TRP 64 HB3 TRP 64 5.234 -5.522 -4.006 516 HD1 TRP 64 HD1 TRP 64 3.390 -3.254 -6.409 517 HE1 TRP 64 HE1 TRP 64 4.851 -2.898 -8.504 518 HE3 TRP 64 HE3 TRP 64 7.776 -5.316 -4.737 519 HZ2 TRP 64 HZ2 TRP 64 7.600 -3.205 -9.238 520 HZ3 TRP 64 HZ3 TRP 64 9.809 -5.256 -6.170 521 HH2 TRP 64 HH2 TRP 64 9.740 -4.179 -8.403 522 H GLN 65 H GLN 65 3.675 -7.176 -3.475 523 HA GLN 65 HA GLN 65 2.615 -8.371 -5.845 524 HB2 GLN 65 HB2 GLN 65 3.450 -9.339 -3.108 525 HB3 GLN 65 HB3 GLN 65 2.555 -10.414 -4.165 526 HG2 GLN 65 HG2 GLN 65 4.970 -10.763 -4.367 527 HG3 GLN 65 HG3 GLN 65 4.210 -10.334 -5.891 528 HE21 GLN 65 HE21 GLN 65 6.729 -9.396 -3.591 529 HE22 GLN 65 HE22 GLN 65 7.294 -8.084 -4.613 530 H TRP 66 H TRP 66 1.029 -7.619 -2.706 531 HA TRP 66 HA TRP 66 -1.518 -8.738 -3.360 532 HB2 TRP 66 HB2 TRP 66 -0.831 -7.885 -1.116 533 HB3 TRP 66 HB3 TRP 66 -0.961 -6.240 -1.716 534 HD1 TRP 66 HD1 TRP 66 -3.419 -5.256 -2.064 535 HE1 TRP 66 HE1 TRP 66 -5.773 -6.043 -1.300 536 HE3 TRP 66 HE3 TRP 66 -2.261 -10.041 -0.639 537 HZ2 TRP 66 HZ2 TRP 66 -6.924 -8.362 -0.108 538 HZ3 TRP 66 HZ3 TRP 66 -4.008 -11.502 0.357 539 HH2 TRP 66 HH2 TRP 66 -6.339 -10.670 0.624 540 H ARG 67 H ARG 67 -0.300 -5.374 -3.932 541 HA ARG 67 HA ARG 67 -2.601 -4.460 -5.334 542 HB2 ARG 67 HB2 ARG 67 -0.852 -3.033 -4.363 543 HB3 ARG 67 HB3 ARG 67 0.308 -3.541 -5.580 544 HG2 ARG 67 HG2 ARG 67 -2.338 -2.262 -6.364 545 HG3 ARG 67 HG3 ARG 67 -0.993 -1.266 -5.827 546 HD2 ARG 67 HD2 ARG 67 0.101 -1.406 -7.768 547 HD3 ARG 67 HD3 ARG 67 -0.075 -3.155 -7.844 548 HE ARG 67 HE ARG 67 -2.390 -1.407 -8.572 549 HH11 ARG 67 HH11 ARG 67 0.151 -3.426 -9.841 550 HH12 ARG 67 HH12 ARG 67 -0.818 -4.064 -11.143 551 HH21 ARG 67 HH21 ARG 67 -3.574 -2.092 -10.317 552 HH22 ARG 67 HH22 ARG 67 -2.901 -3.260 -11.437 553 H LYS 68 H LYS 68 0.262 -6.129 -6.661 554 HA LYS 68 HA LYS 68 -0.590 -6.146 -9.426 555 HB2 LYS 68 HB2 LYS 68 1.114 -8.103 -7.832 556 HB3 LYS 68 HB3 LYS 68 0.926 -8.151 -9.582 557 HG2 LYS 68 HG2 LYS 68 2.030 -6.012 -9.859 558 HG3 LYS 68 HG3 LYS 68 2.075 -5.739 -8.113 559 HD2 LYS 68 HD2 LYS 68 3.467 -7.829 -7.868 560 HD3 LYS 68 HD3 LYS 68 3.517 -7.951 -9.633 561 HE2 LYS 68 HE2 LYS 68 4.672 -5.796 -9.784 562 HE3 LYS 68 HE3 LYS 68 4.502 -5.550 -8.036 563 HZ1 LYS 68 HZ1 LYS 68 5.990 -7.814 -9.213 564 HZ2 LYS 68 HZ2 LYS 68 5.973 -7.374 -7.631 565 HZ3 LYS 68 HZ3 LYS 68 6.720 -6.436 -8.779 566 H SER 69 H SER 69 -1.519 -8.212 -6.695 567 HA SER 69 HA SER 69 -2.623 -10.272 -8.412 568 HB2 SER 69 HB2 SER 69 -2.644 -10.027 -5.401 569 HB3 SER 69 HB3 SER 69 -3.141 -11.450 -6.346 570 HG SER 69 HG SER 69 -0.591 -10.294 -6.048 571 H LEU 70 H LEU 70 -4.045 -7.377 -7.803 572 HA LEU 70 HA LEU 70 -6.621 -8.506 -8.662 573 HB2 LEU 70 HB2 LEU 70 -7.903 -7.022 -7.095 574 HB3 LEU 70 HB3 LEU 70 -7.223 -8.472 -6.424 575 HG LEU 70 HG LEU 70 -5.511 -6.032 -6.108 576 HD11 LEU 70 HD11 LEU 70 -6.842 -5.250 -4.164 577 HD12 LEU 70 HD12 LEU 70 -8.144 -6.376 -4.609 578 HD13 LEU 70 HD13 LEU 70 -7.703 -5.034 -5.692 579 HD21 LEU 70 HD21 LEU 70 -6.496 -8.147 -4.131 580 HD22 LEU 70 HD22 LEU 70 -5.154 -7.001 -3.913 581 HD23 LEU 70 HD23 LEU 70 -5.015 -8.295 -5.096 Start of MODEL 4 1 H GLN 1 H1 GLN 1 -52.441 -14.775 19.407 2 HA GLN 1 HA GLN 1 -50.582 -15.831 17.386 3 HB2 GLN 1 HB2 GLN 1 -49.742 -13.524 17.141 4 HB3 GLN 1 HB3 GLN 1 -51.410 -13.703 16.589 5 HG2 GLN 1 HG2 GLN 1 -52.259 -12.682 18.630 6 HG3 GLN 1 HG3 GLN 1 -50.635 -12.648 19.343 7 HE21 GLN 1 HE21 GLN 1 -51.217 -10.412 19.713 8 HE22 GLN 1 HE22 GLN 1 -50.865 -9.245 18.425 9 H GLU 2 H GLU 2 -48.396 -15.793 17.918 10 HA GLU 2 HA GLU 2 -47.948 -16.528 20.676 11 HB2 GLU 2 HB2 GLU 2 -46.151 -16.384 18.228 12 HB3 GLU 2 HB3 GLU 2 -45.585 -16.933 19.811 13 HG2 GLU 2 HG2 GLU 2 -47.236 -18.735 19.853 14 HG3 GLU 2 HG3 GLU 2 -47.931 -18.187 18.325 15 H SER 3 H SER 3 -46.130 -15.912 21.943 16 HA SER 3 HA SER 3 -45.523 -12.977 21.962 17 HB2 SER 3 HB2 SER 3 -45.573 -14.857 24.350 18 HB3 SER 3 HB3 SER 3 -45.411 -13.094 24.366 19 HG SER 3 HG SER 3 -47.528 -12.886 23.809 20 H PHE 4 H PHE 4 -43.478 -12.692 21.295 21 HA PHE 4 HA PHE 4 -41.407 -14.769 21.893 22 HB2 PHE 4 HB2 PHE 4 -40.496 -13.769 19.593 23 HB3 PHE 4 HB3 PHE 4 -41.533 -15.158 19.729 24 HD1 PHE 4 HD1 PHE 4 -41.782 -11.405 19.377 25 HD2 PHE 4 HD2 PHE 4 -43.432 -15.260 18.352 26 HE1 PHE 4 HE1 PHE 4 -43.439 -10.308 17.884 27 HE2 PHE 4 HE2 PHE 4 -45.075 -14.154 16.853 28 HZ PHE 4 HZ PHE 4 -45.081 -11.688 16.616 29 H LYS 5 H LYS 5 -39.271 -14.185 21.836 30 HA LYS 5 HA LYS 5 -38.424 -11.645 23.051 31 HB2 LYS 5 HB2 LYS 5 -36.994 -14.054 21.853 32 HB3 LYS 5 HB3 LYS 5 -36.132 -12.631 22.424 33 HG2 LYS 5 HG2 LYS 5 -36.022 -14.359 24.070 34 HG3 LYS 5 HG3 LYS 5 -36.898 -12.962 24.700 35 HD2 LYS 5 HD2 LYS 5 -38.987 -14.113 24.658 36 HD3 LYS 5 HD3 LYS 5 -38.371 -15.363 23.568 37 HE2 LYS 5 HE2 LYS 5 -38.663 -16.216 25.841 38 HE3 LYS 5 HE3 LYS 5 -36.986 -16.322 25.284 39 HZ1 LYS 5 HZ1 LYS 5 -38.022 -14.224 27.118 40 HZ2 LYS 5 HZ2 LYS 5 -36.468 -14.356 26.594 41 HZ3 LYS 5 HZ3 LYS 5 -37.090 -15.523 27.546 42 H LYS 6 H LYS 6 -36.879 -10.208 21.987 43 HA LYS 6 HA LYS 6 -36.963 -10.078 19.021 44 HB2 LYS 6 HB2 LYS 6 -37.798 -7.745 19.057 45 HB3 LYS 6 HB3 LYS 6 -39.003 -8.932 19.555 46 HG2 LYS 6 HG2 LYS 6 -38.852 -8.301 21.863 47 HG3 LYS 6 HG3 LYS 6 -37.383 -7.358 21.599 48 HD2 LYS 6 HD2 LYS 6 -38.577 -5.738 20.240 49 HD3 LYS 6 HD3 LYS 6 -40.084 -6.657 20.377 50 HE2 LYS 6 HE2 LYS 6 -38.622 -5.789 22.886 51 HE3 LYS 6 HE3 LYS 6 -39.515 -4.577 21.961 52 HZ1 LYS 6 HZ1 LYS 6 -41.510 -5.746 22.228 53 HZ2 LYS 6 HZ2 LYS 6 -40.828 -5.640 23.721 54 HZ3 LYS 6 HZ3 LYS 6 -40.796 -7.070 22.877 55 H GLN 7 H GLN 7 -35.488 -8.699 18.047 56 HA GLN 7 HA GLN 7 -33.373 -7.515 19.814 57 HB2 GLN 7 HB2 GLN 7 -33.044 -9.190 17.308 58 HB3 GLN 7 HB3 GLN 7 -31.763 -8.174 17.965 59 HG2 GLN 7 HG2 GLN 7 -31.900 -9.390 20.138 60 HG3 GLN 7 HG3 GLN 7 -33.105 -10.467 19.439 61 HE21 GLN 7 HE21 GLN 7 -31.410 -12.086 20.134 62 HE22 GLN 7 HE22 GLN 7 -30.112 -12.445 18.988 63 H GLU 8 H GLU 8 -31.962 -5.997 18.698 64 HA GLU 8 HA GLU 8 -33.235 -4.446 16.457 65 HB2 GLU 8 HB2 GLU 8 -31.789 -3.492 18.946 66 HB3 GLU 8 HB3 GLU 8 -31.831 -2.499 17.483 67 HG2 GLU 8 HG2 GLU 8 -34.196 -2.300 17.506 68 HG3 GLU 8 HG3 GLU 8 -34.380 -3.617 18.666 69 H LYS 9 H LYS 9 -30.489 -6.209 17.518 70 HA LYS 9 HA LYS 9 -28.435 -6.626 16.652 71 HB2 LYS 9 HB2 LYS 9 -29.803 -6.157 13.977 72 HB3 LYS 9 HB3 LYS 9 -28.302 -7.039 14.273 73 HG2 LYS 9 HG2 LYS 9 -29.684 -8.575 15.816 74 HG3 LYS 9 HG3 LYS 9 -31.124 -7.816 15.123 75 HD2 LYS 9 HD2 LYS 9 -30.359 -8.468 12.840 76 HD3 LYS 9 HD3 LYS 9 -28.953 -9.271 13.538 77 HE2 LYS 9 HE2 LYS 9 -31.866 -10.035 13.981 78 HE3 LYS 9 HE3 LYS 9 -30.718 -10.866 12.929 79 HZ1 LYS 9 HZ1 LYS 9 -30.803 -12.059 14.998 80 HZ2 LYS 9 HZ2 LYS 9 -30.567 -10.714 15.893 81 HZ3 LYS 9 HZ3 LYS 9 -29.359 -11.298 14.980 82 H THR 10 H THR 10 -27.566 -4.814 17.700 83 HA THR 10 HA THR 10 -26.258 -2.968 15.742 84 HB THR 10 HB THR 10 -27.890 -1.716 16.998 85 HG1 THR 10 HG1 THR 10 -26.588 -0.179 16.884 86 HG21 THR 10 HG21 THR 10 -26.379 -2.436 19.531 87 HG22 THR 10 HG22 THR 10 -28.053 -2.855 19.119 88 HG23 THR 10 HG23 THR 10 -27.605 -1.165 19.366 89 HA PRO 11 HA PRO 11 -22.989 -5.257 18.179 90 HB2 PRO 11 HB2 PRO 11 -22.017 -7.050 16.374 91 HB3 PRO 11 HB3 PRO 11 -23.416 -7.397 17.435 92 HG2 PRO 11 HG2 PRO 11 -23.475 -6.471 14.542 93 HG3 PRO 11 HG3 PRO 11 -24.388 -7.807 15.300 94 HD2 PRO 11 HD2 PRO 11 -25.448 -5.314 14.917 95 HD3 PRO 11 HD3 PRO 11 -25.866 -6.339 16.329 96 H LYS 12 H LYS 12 -21.357 -3.821 18.247 97 HA LYS 12 HA LYS 12 -20.266 -2.412 15.902 98 HB2 LYS 12 HB2 LYS 12 -19.580 -2.514 18.859 99 HB3 LYS 12 HB3 LYS 12 -18.378 -1.976 17.719 100 HG2 LYS 12 HG2 LYS 12 -19.196 0.009 18.291 101 HG3 LYS 12 HG3 LYS 12 -20.148 -0.280 16.852 102 HD2 LYS 12 HD2 LYS 12 -21.143 -0.841 19.684 103 HD3 LYS 12 HD3 LYS 12 -21.280 0.739 18.905 104 HE2 LYS 12 HE2 LYS 12 -22.555 -0.292 17.033 105 HE3 LYS 12 HE3 LYS 12 -22.498 -1.845 17.876 106 HZ1 LYS 12 HZ1 LYS 12 -23.720 -0.828 19.716 107 HZ2 LYS 12 HZ2 LYS 12 -24.548 -0.717 18.317 108 HZ3 LYS 12 HZ3 LYS 12 -23.779 0.615 18.918 109 H THR 13 H THR 13 -18.209 -2.604 15.082 110 HA THR 13 HA THR 13 -16.629 -5.080 15.679 111 HB THR 13 HB THR 13 -17.179 -3.987 12.897 112 HG1 THR 13 HG1 THR 13 -18.635 -5.403 12.812 113 HG21 THR 13 HG21 THR 13 -15.483 -6.332 13.877 114 HG22 THR 13 HG22 THR 13 -14.926 -4.926 12.949 115 HG23 THR 13 HG23 THR 13 -16.001 -6.103 12.189 116 HA PRO 14 HA PRO 14 -13.808 -1.400 15.936 117 HB2 PRO 14 HB2 PRO 14 -12.231 -2.345 17.958 118 HB3 PRO 14 HB3 PRO 14 -13.758 -1.454 18.247 119 HG2 PRO 14 HG2 PRO 14 -13.329 -4.456 18.223 120 HG3 PRO 14 HG3 PRO 14 -14.194 -3.467 19.443 121 HD2 PRO 14 HD2 PRO 14 -15.504 -4.796 17.459 122 HD3 PRO 14 HD3 PRO 14 -16.066 -3.196 18.028 123 H LYS 15 H LYS 15 -11.873 -1.387 14.833 124 HA LYS 15 HA LYS 15 -10.894 -3.975 13.732 125 HB2 LYS 15 HB2 LYS 15 -11.390 -3.303 11.470 126 HB3 LYS 15 HB3 LYS 15 -12.855 -3.350 12.416 127 HG2 LYS 15 HG2 LYS 15 -11.415 -0.716 12.102 128 HG3 LYS 15 HG3 LYS 15 -12.288 -1.379 10.718 129 HD2 LYS 15 HD2 LYS 15 -14.354 -1.469 11.994 130 HD3 LYS 15 HD3 LYS 15 -13.534 -0.817 13.433 131 HE2 LYS 15 HE2 LYS 15 -12.933 1.220 12.079 132 HE3 LYS 15 HE3 LYS 15 -13.915 0.576 10.757 133 HZ1 LYS 15 HZ1 LYS 15 -15.165 2.138 12.123 134 HZ2 LYS 15 HZ2 LYS 15 -14.904 1.259 13.474 135 HZ3 LYS 15 HZ3 LYS 15 -15.846 0.650 12.260 136 H GLY 16 H GLY 16 -9.333 -3.463 11.832 137 HA2 GLY 16 HA2 GLY 16 -7.361 -2.450 11.050 138 HA3 GLY 16 HA3 GLY 16 -7.459 -1.235 12.306 139 HA PRO 17 HA PRO 17 -5.719 -5.544 14.067 140 HB2 PRO 17 HB2 PRO 17 -3.982 -5.965 11.619 141 HB3 PRO 17 HB3 PRO 17 -4.580 -7.185 12.790 142 HG2 PRO 17 HG2 PRO 17 -5.905 -6.846 10.477 143 HG3 PRO 17 HG3 PRO 17 -6.834 -6.936 12.012 144 HD2 PRO 17 HD2 PRO 17 -6.066 -4.489 10.425 145 HD3 PRO 17 HD3 PRO 17 -7.604 -4.872 11.208 146 H SER 18 H SER 18 -3.547 -6.212 14.816 147 HA SER 18 HA SER 18 -1.806 -3.849 15.280 148 HB2 SER 18 HB2 SER 18 -2.103 -6.456 16.797 149 HB3 SER 18 HB3 SER 18 -1.067 -5.097 17.265 150 HG SER 18 HG SER 18 -3.919 -5.034 16.985 151 H SER 19 H SER 19 -1.488 -4.982 12.765 152 HA SER 19 HA SER 19 1.281 -5.936 12.672 153 HB2 SER 19 HB2 SER 19 -0.141 -7.966 13.256 154 HB3 SER 19 HB3 SER 19 -0.974 -7.744 11.707 155 HG SER 19 HG SER 19 0.583 -8.721 10.796 156 H VAL 20 H VAL 20 1.700 -6.626 10.206 157 HA VAL 20 HA VAL 20 1.144 -4.492 8.412 158 HB VAL 20 HB VAL 20 1.872 -7.374 7.772 159 HG11 VAL 20 HG11 VAL 20 2.893 -6.418 5.705 160 HG12 VAL 20 HG12 VAL 20 1.147 -6.240 5.727 161 HG13 VAL 20 HG13 VAL 20 2.171 -4.837 6.100 162 HG21 VAL 20 HG21 VAL 20 3.525 -6.330 9.292 163 HG22 VAL 20 HG22 VAL 20 4.192 -6.546 7.685 164 HG23 VAL 20 HG23 VAL 20 3.654 -4.932 8.204 165 H GLU 21 H GLU 21 -0.710 -7.424 9.021 166 HA GLU 21 HA GLU 21 -2.633 -7.515 7.035 167 HB2 GLU 21 HB2 GLU 21 -2.939 -7.816 10.060 168 HB3 GLU 21 HB3 GLU 21 -4.197 -8.198 8.896 169 HG2 GLU 21 HG2 GLU 21 -3.337 -10.274 9.159 170 HG3 GLU 21 HG3 GLU 21 -2.385 -9.744 7.776 171 H ASP 22 H ASP 22 -2.369 -4.999 9.515 172 HA ASP 22 HA ASP 22 -4.924 -3.700 9.030 173 HB2 ASP 22 HB2 ASP 22 -3.694 -3.536 11.127 174 HB3 ASP 22 HB3 ASP 22 -2.296 -2.856 10.309 175 H ILE 23 H ILE 23 -1.559 -2.843 8.034 176 HA ILE 23 HA ILE 23 -2.551 -0.603 6.550 177 HB ILE 23 HB ILE 23 -0.292 -0.719 7.492 178 HG12 ILE 23 HG12 ILE 23 -0.108 -0.176 4.512 179 HG13 ILE 23 HG13 ILE 23 -1.107 0.816 5.570 180 HG21 ILE 23 HG21 ILE 23 0.345 -2.619 5.177 181 HG22 ILE 23 HG22 ILE 23 1.547 -1.821 6.208 182 HG23 ILE 23 HG23 ILE 23 0.418 -2.971 6.909 183 HD11 ILE 23 HD11 ILE 23 0.816 1.393 6.969 184 HD12 ILE 23 HD12 ILE 23 1.877 0.387 5.967 185 HD13 ILE 23 HD13 ILE 23 1.108 1.828 5.275 186 H LYS 24 H LYS 24 -1.918 -3.981 5.549 187 HA LYS 24 HA LYS 24 -2.582 -3.290 2.763 188 HB2 LYS 24 HB2 LYS 24 -2.335 -5.530 2.178 189 HB3 LYS 24 HB3 LYS 24 -1.021 -5.076 3.255 190 HG2 LYS 24 HG2 LYS 24 -2.362 -6.225 5.139 191 HG3 LYS 24 HG3 LYS 24 -3.402 -6.873 3.853 192 HD2 LYS 24 HD2 LYS 24 -1.327 -7.779 2.731 193 HD3 LYS 24 HD3 LYS 24 -0.378 -7.216 4.120 194 HE2 LYS 24 HE2 LYS 24 -1.533 -8.735 5.613 195 HE3 LYS 24 HE3 LYS 24 -2.722 -9.164 4.372 196 HZ1 LYS 24 HZ1 LYS 24 0.175 -9.722 4.046 197 HZ2 LYS 24 HZ2 LYS 24 -1.067 -10.335 3.166 198 HZ3 LYS 24 HZ3 LYS 24 -0.850 -10.793 4.727 199 H ALA 25 H ALA 25 -4.561 -4.605 5.480 200 HA ALA 25 HA ALA 25 -6.903 -4.877 3.857 201 HB1 ALA 25 HB1 ALA 25 -8.127 -4.737 6.007 202 HB2 ALA 25 HB2 ALA 25 -6.757 -5.852 6.086 203 HB3 ALA 25 HB3 ALA 25 -6.631 -4.235 6.824 204 H LYS 26 H LYS 26 -5.517 -2.009 5.491 205 HA LYS 26 HA LYS 26 -7.766 -0.264 4.821 206 HB2 LYS 26 HB2 LYS 26 -5.006 0.206 5.978 207 HB3 LYS 26 HB3 LYS 26 -6.190 1.495 5.716 208 HG2 LYS 26 HG2 LYS 26 -7.747 0.597 7.269 209 HG3 LYS 26 HG3 LYS 26 -6.942 -0.971 7.324 210 HD2 LYS 26 HD2 LYS 26 -6.479 0.211 9.360 211 HD3 LYS 26 HD3 LYS 26 -4.991 0.013 8.422 212 HE2 LYS 26 HE2 LYS 26 -5.295 2.382 7.583 213 HE3 LYS 26 HE3 LYS 26 -6.664 2.540 8.688 214 HZ1 LYS 26 HZ1 LYS 26 -3.854 1.994 9.426 215 HZ2 LYS 26 HZ2 LYS 26 -5.084 1.962 10.513 216 HZ3 LYS 26 HZ3 LYS 26 -4.691 3.372 9.740 217 H MET 27 H MET 27 -4.473 -0.643 3.399 218 HA MET 27 HA MET 27 -4.837 1.310 1.336 219 HB2 MET 27 HB2 MET 27 -3.144 -1.206 1.574 220 HB3 MET 27 HB3 MET 27 -3.085 -0.200 0.139 221 HG2 MET 27 HG2 MET 27 -2.621 0.888 2.939 222 HG3 MET 27 HG3 MET 27 -1.325 0.309 1.896 223 HE1 MET 27 HE1 MET 27 -0.490 2.801 2.810 224 HE2 MET 27 HE2 MET 27 -1.174 4.318 2.182 225 HE3 MET 27 HE3 MET 27 -2.091 3.347 3.354 226 H GLN 28 H GLN 28 -5.577 -2.227 1.321 227 HA GLN 28 HA GLN 28 -6.711 -2.194 -1.317 228 HB2 GLN 28 HB2 GLN 28 -6.979 -4.087 1.021 229 HB3 GLN 28 HB3 GLN 28 -7.794 -4.363 -0.500 230 HG2 GLN 28 HG2 GLN 28 -5.331 -5.351 0.127 231 HG3 GLN 28 HG3 GLN 28 -5.976 -5.193 -1.497 232 HE21 GLN 28 HE21 GLN 28 -5.313 -3.216 -2.772 233 HE22 GLN 28 HE22 GLN 28 -3.733 -2.534 -2.364 234 H ALA 29 H ALA 29 -8.291 -1.708 1.898 235 HA ALA 29 HA ALA 29 -10.912 -1.347 0.828 236 HB1 ALA 29 HB1 ALA 29 -9.586 -0.064 3.257 237 HB2 ALA 29 HB2 ALA 29 -11.323 -0.102 2.923 238 HB3 ALA 29 HB3 ALA 29 -10.457 -1.615 3.217 239 H SER 30 H SER 30 -8.224 1.038 1.235 240 HA SER 30 HA SER 30 -9.670 3.293 0.387 241 HB2 SER 30 HB2 SER 30 -7.473 3.269 1.545 242 HB3 SER 30 HB3 SER 30 -6.698 2.766 0.037 243 HG SER 30 HG SER 30 -6.688 5.064 0.531 244 H ILE 31 H ILE 31 -7.852 0.958 -1.683 245 HA ILE 31 HA ILE 31 -8.681 2.394 -4.106 246 HB ILE 31 HB ILE 31 -6.557 1.248 -4.029 247 HG12 ILE 31 HG12 ILE 31 -8.278 -0.034 -6.184 248 HG13 ILE 31 HG13 ILE 31 -7.930 1.690 -6.172 249 HG21 ILE 31 HG21 ILE 31 -7.148 -0.717 -2.726 250 HG22 ILE 31 HG22 ILE 31 -8.138 -1.357 -4.053 251 HG23 ILE 31 HG23 ILE 31 -6.377 -1.191 -4.236 252 HD11 ILE 31 HD11 ILE 31 -5.499 1.229 -6.278 253 HD12 ILE 31 HD12 ILE 31 -5.831 -0.515 -6.334 254 HD13 ILE 31 HD13 ILE 31 -6.381 0.534 -7.650 255 H GLU 32 H GLU 32 -10.144 -0.228 -2.216 256 HA GLU 32 HA GLU 32 -12.090 -0.801 -4.360 257 HB2 GLU 32 HB2 GLU 32 -11.587 -1.894 -1.591 258 HB3 GLU 32 HB3 GLU 32 -13.042 -2.312 -2.484 259 HG2 GLU 32 HG2 GLU 32 -10.307 -2.642 -3.775 260 HG3 GLU 32 HG3 GLU 32 -10.985 -3.876 -2.720 261 H LYS 33 H LYS 33 -12.078 1.296 -1.595 262 HA LYS 33 HA LYS 33 -15.022 1.783 -1.867 263 HB2 LYS 33 HB2 LYS 33 -13.093 2.399 0.402 264 HB3 LYS 33 HB3 LYS 33 -14.817 2.727 0.408 265 HG2 LYS 33 HG2 LYS 33 -15.320 0.302 0.211 266 HG3 LYS 33 HG3 LYS 33 -13.598 -0.062 0.104 267 HD2 LYS 33 HD2 LYS 33 -14.168 -0.559 2.311 268 HD3 LYS 33 HD3 LYS 33 -13.295 0.978 2.389 269 HE2 LYS 33 HE2 LYS 33 -15.465 2.190 2.532 270 HE3 LYS 33 HE3 LYS 33 -16.327 0.642 2.441 271 HZ1 LYS 33 HZ1 LYS 33 -14.435 1.427 4.590 272 HZ2 LYS 33 HZ2 LYS 33 -15.207 -0.026 4.492 273 HZ3 LYS 33 HZ3 LYS 33 -16.064 1.350 4.749 274 H GLY 34 H GLY 34 -11.911 3.529 -1.723 275 HA2 GLY 34 HA2 GLY 34 -13.220 6.089 -2.457 276 HA3 GLY 34 HA3 GLY 34 -11.552 5.828 -1.962 277 H GLY 35 H GLY 35 -11.772 3.481 -4.183 278 HA2 GLY 35 HA2 GLY 35 -10.905 3.250 -6.305 279 HA3 GLY 35 HA3 GLY 35 -11.568 4.839 -6.706 280 H SER 36 H SER 36 -9.362 4.580 -4.024 281 HA SER 36 HA SER 36 -7.632 6.597 -5.220 282 HB2 SER 36 HB2 SER 36 -8.683 6.519 -2.877 283 HB3 SER 36 HB3 SER 36 -7.426 5.346 -2.466 284 HG SER 36 HG SER 36 -7.024 7.631 -1.997 285 H LEU 37 H LEU 37 -5.287 6.150 -3.887 286 HA LEU 37 HA LEU 37 -3.246 5.352 -4.016 287 HB2 LEU 37 HB2 LEU 37 -4.600 2.711 -4.529 288 HB3 LEU 37 HB3 LEU 37 -2.867 2.864 -4.617 289 HG LEU 37 HG LEU 37 -2.678 3.527 -2.318 290 HD11 LEU 37 HD11 LEU 37 -4.617 3.415 -0.766 291 HD12 LEU 37 HD12 LEU 37 -5.715 3.314 -2.164 292 HD13 LEU 37 HD13 LEU 37 -4.736 4.776 -1.877 293 HD21 LEU 37 HD21 LEU 37 -3.404 1.425 -1.321 294 HD22 LEU 37 HD22 LEU 37 -2.794 1.122 -2.957 295 HD23 LEU 37 HD23 LEU 37 -4.545 1.137 -2.642 296 HA PRO 38 HA PRO 38 -1.887 5.600 -8.265 297 HB2 PRO 38 HB2 PRO 38 0.808 4.750 -7.293 298 HB3 PRO 38 HB3 PRO 38 0.331 6.235 -8.178 299 HG2 PRO 38 HG2 PRO 38 0.922 6.352 -5.539 300 HG3 PRO 38 HG3 PRO 38 -0.473 7.267 -6.195 301 HD2 PRO 38 HD2 PRO 38 -0.501 4.527 -4.868 302 HD3 PRO 38 HD3 PRO 38 -1.448 5.995 -4.474 303 H LYS 39 H LYS 39 -0.949 4.432 -9.998 304 HA LYS 39 HA LYS 39 -1.300 1.513 -10.063 305 HB2 LYS 39 HB2 LYS 39 -2.173 2.909 -11.827 306 HB3 LYS 39 HB3 LYS 39 -0.621 3.696 -12.063 307 HG2 LYS 39 HG2 LYS 39 -1.041 2.234 -13.882 308 HG3 LYS 39 HG3 LYS 39 0.354 1.649 -12.978 309 HD2 LYS 39 HD2 LYS 39 -1.077 -0.114 -11.935 310 HD3 LYS 39 HD3 LYS 39 -2.479 0.515 -12.838 311 HE2 LYS 39 HE2 LYS 39 -1.211 0.160 -14.974 312 HE3 LYS 39 HE3 LYS 39 0.112 -0.562 -14.045 313 HZ1 LYS 39 HZ1 LYS 39 -1.314 -2.285 -14.901 314 HZ2 LYS 39 HZ2 LYS 39 -2.665 -1.598 -14.254 315 HZ3 LYS 39 HZ3 LYS 39 -1.558 -2.236 -13.260 316 H VAL 40 H VAL 40 1.412 3.794 -10.537 317 HA VAL 40 HA VAL 40 3.238 1.640 -11.237 318 HB VAL 40 HB VAL 40 3.668 4.628 -10.894 319 HG11 VAL 40 HG11 VAL 40 5.815 3.513 -10.644 320 HG12 VAL 40 HG12 VAL 40 5.504 2.517 -12.089 321 HG13 VAL 40 HG13 VAL 40 5.723 4.270 -12.234 322 HG21 VAL 40 HG21 VAL 40 3.693 4.639 -13.374 323 HG22 VAL 40 HG22 VAL 40 3.327 2.898 -13.391 324 HG23 VAL 40 HG23 VAL 40 2.142 4.067 -12.767 325 H GLU 41 H GLU 41 4.803 0.672 -9.993 326 HA GLU 41 HA GLU 41 4.229 0.640 -7.239 327 HB2 GLU 41 HB2 GLU 41 6.082 -0.896 -6.937 328 HB3 GLU 41 HB3 GLU 41 5.059 -1.298 -8.305 329 HG2 GLU 41 HG2 GLU 41 6.785 -0.208 -9.818 330 HG3 GLU 41 HG3 GLU 41 7.838 -0.045 -8.396 331 H ALA 42 H ALA 42 7.011 2.389 -8.762 332 HA ALA 42 HA ALA 42 8.160 3.269 -6.319 333 HB1 ALA 42 HB1 ALA 42 7.969 4.727 -8.996 334 HB2 ALA 42 HB2 ALA 42 9.104 5.101 -7.680 335 HB3 ALA 42 HB3 ALA 42 9.217 3.549 -8.523 336 H LYS 43 H LYS 43 5.362 4.572 -8.097 337 HA LYS 43 HA LYS 43 4.943 6.901 -6.377 338 HB2 LYS 43 HB2 LYS 43 2.983 5.469 -8.229 339 HB3 LYS 43 HB3 LYS 43 2.761 7.054 -7.511 340 HG2 LYS 43 HG2 LYS 43 4.932 6.336 -9.515 341 HG3 LYS 43 HG3 LYS 43 3.386 7.103 -9.888 342 HD2 LYS 43 HD2 LYS 43 3.983 9.027 -8.409 343 HD3 LYS 43 HD3 LYS 43 5.576 8.288 -8.134 344 HE2 LYS 43 HE2 LYS 43 6.003 8.339 -10.589 345 HE3 LYS 43 HE3 LYS 43 4.429 9.115 -10.841 346 HZ1 LYS 43 HZ1 LYS 43 6.630 10.220 -9.202 347 HZ2 LYS 43 HZ2 LYS 43 5.198 10.972 -9.481 348 HZ3 LYS 43 HZ3 LYS 43 6.275 10.730 -10.718 349 H PHE 44 H PHE 44 3.666 3.563 -6.489 350 HA PHE 44 HA PHE 44 1.802 3.976 -4.371 351 HB2 PHE 44 HB2 PHE 44 1.570 2.128 -5.918 352 HB3 PHE 44 HB3 PHE 44 3.127 1.470 -5.437 353 HD1 PHE 44 HD2 PHE 44 0.309 2.682 -3.211 354 HD2 PHE 44 HD1 PHE 44 2.608 -0.679 -4.646 355 HE1 PHE 44 HE2 PHE 44 -0.762 1.220 -1.526 356 HE2 PHE 44 HE1 PHE 44 1.519 -2.134 -2.965 357 HZ PHE 44 HZ PHE 44 -0.171 -1.192 -1.401 358 H ILE 45 H ILE 45 5.186 2.741 -4.314 359 HA ILE 45 HA ILE 45 5.435 2.426 -1.486 360 HB ILE 45 HB ILE 45 7.477 3.051 -3.651 361 HG12 ILE 45 HG12 ILE 45 6.920 0.466 -2.126 362 HG13 ILE 45 HG13 ILE 45 6.192 0.823 -3.675 363 HG21 ILE 45 HG21 ILE 45 8.411 3.820 -1.496 364 HG22 ILE 45 HG22 ILE 45 7.980 2.273 -0.735 365 HG23 ILE 45 HG23 ILE 45 9.221 2.356 -2.003 366 HD11 ILE 45 HD11 ILE 45 8.465 0.990 -4.709 367 HD12 ILE 45 HD12 ILE 45 9.166 0.445 -3.163 368 HD13 ILE 45 HD13 ILE 45 8.069 -0.613 -4.060 369 H ASN 46 H ASN 46 6.150 5.343 -3.528 370 HA ASN 46 HA ASN 46 6.824 7.079 -1.395 371 HB2 ASN 46 HB2 ASN 46 7.200 7.888 -3.602 372 HB3 ASN 46 HB3 ASN 46 5.544 7.556 -4.111 373 HD21 ASN 46 HD21 ASN 46 4.071 9.230 -4.012 374 HD22 ASN 46 HD22 ASN 46 4.223 10.614 -2.969 375 H TYR 47 H TYR 47 3.565 6.442 -2.780 376 HA TYR 47 HA TYR 47 2.167 8.228 -1.086 377 HB2 TYR 47 HB2 TYR 47 1.317 7.405 -3.173 378 HB3 TYR 47 HB3 TYR 47 1.286 5.739 -2.586 379 HD1 TYR 47 HD2 TYR 47 -0.322 9.062 -2.397 380 HD2 TYR 47 HD1 TYR 47 -0.483 4.959 -1.055 381 HE1 TYR 47 HE2 TYR 47 -2.599 9.444 -1.496 382 HE2 TYR 47 HE1 TYR 47 -2.764 5.356 -0.136 383 HH TYR 47 HH TYR 47 -4.270 8.604 -0.265 384 H VAL 48 H VAL 48 2.740 4.697 -0.667 385 HA VAL 48 HA VAL 48 1.405 4.391 1.838 386 HB VAL 48 HB VAL 48 3.730 2.911 0.553 387 HG11 VAL 48 HG11 VAL 48 2.216 2.158 3.091 388 HG12 VAL 48 HG12 VAL 48 3.290 1.080 2.172 389 HG13 VAL 48 HG13 VAL 48 3.954 2.507 2.960 390 HG21 VAL 48 HG21 VAL 48 0.839 2.050 1.026 391 HG22 VAL 48 HG22 VAL 48 1.420 2.743 -0.494 392 HG23 VAL 48 HG23 VAL 48 2.075 1.206 0.076 393 H LYS 49 H LYS 49 4.844 5.300 1.177 394 HA LYS 49 HA LYS 49 5.410 5.589 4.024 395 HB2 LYS 49 HB2 LYS 49 6.979 6.380 1.542 396 HB3 LYS 49 HB3 LYS 49 7.555 6.598 3.202 397 HG2 LYS 49 HG2 LYS 49 7.238 4.127 3.609 398 HG3 LYS 49 HG3 LYS 49 6.755 3.930 1.935 399 HD2 LYS 49 HD2 LYS 49 9.066 3.238 2.221 400 HD3 LYS 49 HD3 LYS 49 8.960 4.635 1.156 401 HE2 LYS 49 HE2 LYS 49 10.857 4.923 2.603 402 HE3 LYS 49 HE3 LYS 49 9.636 6.124 3.017 403 HZ1 LYS 49 HZ1 LYS 49 10.251 3.650 4.556 404 HZ2 LYS 49 HZ2 LYS 49 8.999 4.657 4.922 405 HZ3 LYS 49 HZ3 LYS 49 10.542 5.184 5.003 406 H ASN 50 H ASN 50 3.966 7.742 1.741 407 HA ASN 50 HA ASN 50 4.113 10.091 3.489 408 HB2 ASN 50 HB2 ASN 50 3.656 10.918 1.448 409 HB3 ASN 50 HB3 ASN 50 3.034 9.406 0.833 410 HD21 ASN 50 HD21 ASN 50 0.760 8.828 1.288 411 HD22 ASN 50 HD22 ASN 50 -0.361 10.194 1.354 412 H CYS 51 H CYS 51 1.983 7.251 3.252 413 HA CYS 51 HA CYS 51 0.018 8.370 5.099 414 HB2 CYS 51 HB2 CYS 51 0.421 5.584 3.942 415 HB3 CYS 51 HB3 CYS 51 -0.943 6.058 4.969 416 HG CYS 51 HG CYS 51 -1.943 7.863 3.487 417 H PHE 52 H PHE 52 2.724 6.005 5.440 418 HA PHE 52 HA PHE 52 2.501 6.186 8.397 419 HB2 PHE 52 HB2 PHE 52 0.923 4.420 7.635 420 HB3 PHE 52 HB3 PHE 52 2.241 3.617 6.792 421 HD1 PHE 52 HD2 PHE 52 1.444 4.931 10.253 422 HD2 PHE 52 HD1 PHE 52 3.243 1.803 7.898 423 HE1 PHE 52 HE2 PHE 52 2.126 3.753 12.322 424 HE2 PHE 52 HE1 PHE 52 3.918 0.624 9.977 425 HZ PHE 52 HZ PHE 52 3.374 1.602 12.191 426 H ARG 53 H ARG 53 4.167 5.199 9.578 427 HA ARG 53 HA ARG 53 6.876 5.497 8.624 428 HB2 ARG 53 HB2 ARG 53 5.891 6.067 10.891 429 HB3 ARG 53 HB3 ARG 53 5.788 4.341 11.218 430 HG2 ARG 53 HG2 ARG 53 8.377 4.311 10.839 431 HG3 ARG 53 HG3 ARG 53 8.269 6.076 10.865 432 HD2 ARG 53 HD2 ARG 53 7.136 5.927 13.091 433 HD3 ARG 53 HD3 ARG 53 7.329 4.177 13.066 434 HE ARG 53 HE ARG 53 9.402 6.242 13.523 435 HH11 ARG 53 HH11 ARG 53 8.915 2.715 13.277 436 HH12 ARG 53 HH12 ARG 53 10.086 2.502 14.576 437 HH21 ARG 53 HH21 ARG 53 11.176 5.673 14.726 438 HH22 ARG 53 HH22 ARG 53 11.270 4.008 15.290 439 H MET 54 H MET 54 6.459 3.735 6.828 440 HA MET 54 HA MET 54 6.898 0.958 7.798 441 HB2 MET 54 HB2 MET 54 6.610 2.069 4.981 442 HB3 MET 54 HB3 MET 54 6.984 0.390 5.376 443 HG2 MET 54 HG2 MET 54 4.847 0.517 6.891 444 HG3 MET 54 HG3 MET 54 4.448 1.923 5.891 445 HE1 MET 54 HE1 MET 54 4.534 -1.913 6.260 446 HE2 MET 54 HE2 MET 54 4.620 -2.508 4.587 447 HE3 MET 54 HE3 MET 54 6.031 -1.713 5.318 448 H THR 55 H THR 55 8.747 -0.110 7.834 449 HA THR 55 HA THR 55 11.163 1.037 6.473 450 HB THR 55 HB THR 55 11.102 1.451 8.901 451 HG1 THR 55 HG1 THR 55 13.148 0.994 9.198 452 HG21 THR 55 HG21 THR 55 11.556 -1.546 9.144 453 HG22 THR 55 HG22 THR 55 10.107 -0.665 9.685 454 HG23 THR 55 HG23 THR 55 11.668 -0.351 10.451 455 H ASP 56 H ASP 56 9.199 -1.779 6.992 456 HA ASP 56 HA ASP 56 11.285 -3.676 6.167 457 HB2 ASP 56 HB2 ASP 56 8.366 -3.916 6.914 458 HB3 ASP 56 HB3 ASP 56 9.315 -5.268 6.366 459 H GLN 57 H GLN 57 11.803 -3.798 4.017 460 HA GLN 57 HA GLN 57 9.799 -3.460 1.947 461 HB2 GLN 57 HB2 GLN 57 12.679 -4.088 1.991 462 HB3 GLN 57 HB3 GLN 57 11.773 -4.849 0.681 463 HG2 GLN 57 HG2 GLN 57 11.646 -1.878 1.319 464 HG3 GLN 57 HG3 GLN 57 12.691 -2.600 0.101 465 HE21 GLN 57 HE21 GLN 57 10.616 -0.584 -0.366 466 HE22 GLN 57 HE22 GLN 57 9.476 -1.360 -1.470 467 H GLU 58 H GLU 58 10.630 -6.183 3.944 468 HA GLU 58 HA GLU 58 9.280 -8.181 2.374 469 HB2 GLU 58 HB2 GLU 58 9.036 -9.404 4.499 470 HB3 GLU 58 HB3 GLU 58 10.678 -8.880 4.144 471 HG2 GLU 58 HG2 GLU 58 10.453 -7.038 5.750 472 HG3 GLU 58 HG3 GLU 58 8.792 -7.537 6.115 473 H ALA 59 H ALA 59 7.988 -5.738 4.702 474 HA ALA 59 HA ALA 59 5.254 -6.749 4.393 475 HB1 ALA 59 HB1 ALA 59 6.329 -4.161 5.570 476 HB2 ALA 59 HB2 ALA 59 4.648 -4.738 5.646 477 HB3 ALA 59 HB3 ALA 59 5.948 -5.650 6.468 478 H ILE 60 H ILE 60 7.275 -4.263 2.845 479 HA ILE 60 HA ILE 60 5.095 -3.012 1.410 480 HB ILE 60 HB ILE 60 8.066 -2.974 1.029 481 HG12 ILE 60 HG12 ILE 60 6.273 -0.747 2.065 482 HG13 ILE 60 HG13 ILE 60 6.979 -1.953 3.133 483 HG21 ILE 60 HG21 ILE 60 5.881 -1.350 -0.373 484 HG22 ILE 60 HG22 ILE 60 7.594 -0.910 -0.406 485 HG23 ILE 60 HG23 ILE 60 7.070 -2.420 -1.146 486 HD11 ILE 60 HD11 ILE 60 8.540 -0.020 1.392 487 HD12 ILE 60 HD12 ILE 60 8.426 -0.049 3.162 488 HD13 ILE 60 HD13 ILE 60 9.253 -1.368 2.309 489 H GLN 61 H GLN 61 7.418 -5.641 0.455 490 HA GLN 61 HA GLN 61 6.076 -6.001 -2.087 491 HB2 GLN 61 HB2 GLN 61 7.347 -7.985 -2.382 492 HB3 GLN 61 HB3 GLN 61 8.369 -6.733 -1.695 493 HG2 GLN 61 HG2 GLN 61 9.015 -8.616 -0.496 494 HG3 GLN 61 HG3 GLN 61 7.924 -7.785 0.577 495 HE21 GLN 61 HE21 GLN 61 6.965 -9.415 1.760 496 HE22 GLN 61 HE22 GLN 61 6.213 -10.851 1.122 497 H ASP 62 H ASP 62 5.395 -7.260 1.201 498 HA ASP 62 HA ASP 62 3.373 -9.121 0.330 499 HB2 ASP 62 HB2 ASP 62 4.546 -8.902 2.613 500 HB3 ASP 62 HB3 ASP 62 3.394 -7.616 2.967 501 H LEU 63 H LEU 63 3.233 -5.663 1.286 502 HA LEU 63 HA LEU 63 0.537 -5.122 0.730 503 HB2 LEU 63 HB2 LEU 63 3.064 -3.578 0.880 504 HB3 LEU 63 HB3 LEU 63 1.822 -2.816 -0.085 505 HG LEU 63 HG LEU 63 1.294 -3.784 2.751 506 HD11 LEU 63 HD11 LEU 63 1.652 -1.427 3.422 507 HD12 LEU 63 HD12 LEU 63 2.148 -1.024 1.764 508 HD13 LEU 63 HD13 LEU 63 3.128 -2.132 2.748 509 HD21 LEU 63 HD21 LEU 63 -0.082 -1.705 0.975 510 HD22 LEU 63 HD22 LEU 63 -0.556 -2.151 2.622 511 HD23 LEU 63 HD23 LEU 63 -0.712 -3.327 1.301 512 H TRP 64 H TRP 64 3.352 -5.043 -1.537 513 HA TRP 64 HA TRP 64 1.932 -4.375 -3.907 514 HB2 TRP 64 HB2 TRP 64 4.430 -4.418 -3.503 515 HB3 TRP 64 HB3 TRP 64 4.380 -6.156 -3.700 516 HD1 TRP 64 HD1 TRP 64 4.975 -3.085 -5.533 517 HE1 TRP 64 HE1 TRP 64 5.339 -3.564 -8.038 518 HE3 TRP 64 HE3 TRP 64 3.086 -7.852 -5.781 519 HZ2 TRP 64 HZ2 TRP 64 4.952 -5.718 -9.858 520 HZ3 TRP 64 HZ3 TRP 64 3.235 -9.133 -7.898 521 HH2 TRP 64 HH2 TRP 64 4.169 -8.085 -9.938 522 H GLN 65 H GLN 65 2.533 -7.655 -2.473 523 HA GLN 65 HA GLN 65 1.219 -9.055 -4.620 524 HB2 GLN 65 HB2 GLN 65 1.346 -9.954 -1.717 525 HB3 GLN 65 HB3 GLN 65 0.947 -10.928 -3.116 526 HG2 GLN 65 HG2 GLN 65 3.587 -10.137 -2.059 527 HG3 GLN 65 HG3 GLN 65 3.079 -11.622 -2.814 528 HE21 GLN 65 HE21 GLN 65 4.810 -8.747 -3.231 529 HE22 GLN 65 HE22 GLN 65 5.164 -8.899 -4.947 530 H TRP 66 H TRP 66 -0.106 -7.599 -1.601 531 HA TRP 66 HA TRP 66 -2.829 -8.433 -2.192 532 HB2 TRP 66 HB2 TRP 66 -1.474 -6.761 -0.141 533 HB3 TRP 66 HB3 TRP 66 -3.120 -6.310 -0.517 534 HD1 TRP 66 HD1 TRP 66 -4.934 -7.479 0.784 535 HE1 TRP 66 HE1 TRP 66 -5.223 -9.669 2.079 536 HE3 TRP 66 HE3 TRP 66 -0.303 -9.539 -0.017 537 HZ2 TRP 66 HZ2 TRP 66 -3.672 -11.996 2.694 538 HZ3 TRP 66 HZ3 TRP 66 0.255 -11.752 0.943 539 HH2 TRP 66 HH2 TRP 66 -1.424 -13.009 2.277 540 H ARG 67 H ARG 67 -1.007 -5.462 -3.004 541 HA ARG 67 HA ARG 67 -3.335 -4.182 -4.184 542 HB2 ARG 67 HB2 ARG 67 -1.456 -3.014 -3.029 543 HB3 ARG 67 HB3 ARG 67 -0.396 -3.392 -4.381 544 HG2 ARG 67 HG2 ARG 67 -2.997 -1.990 -5.006 545 HG3 ARG 67 HG3 ARG 67 -1.794 -1.068 -4.111 546 HD2 ARG 67 HD2 ARG 67 -0.150 -1.285 -5.819 547 HD3 ARG 67 HD3 ARG 67 -1.088 -2.471 -6.714 548 HE ARG 67 HE ARG 67 -1.415 0.445 -6.729 549 HH11 ARG 67 HH11 ARG 67 -3.064 -2.574 -7.621 550 HH12 ARG 67 HH12 ARG 67 -3.885 -1.737 -8.935 551 HH21 ARG 67 HH21 ARG 67 -2.644 1.358 -8.210 552 HH22 ARG 67 HH22 ARG 67 -3.718 0.420 -9.223 553 H LYS 68 H LYS 68 -0.963 -6.331 -5.530 554 HA LYS 68 HA LYS 68 -2.109 -5.917 -8.255 555 HB2 LYS 68 HB2 LYS 68 0.127 -7.721 -7.251 556 HB3 LYS 68 HB3 LYS 68 -0.433 -7.631 -8.914 557 HG2 LYS 68 HG2 LYS 68 0.861 -5.377 -7.330 558 HG3 LYS 68 HG3 LYS 68 1.599 -6.325 -8.607 559 HD2 LYS 68 HD2 LYS 68 -0.636 -4.294 -8.909 560 HD3 LYS 68 HD3 LYS 68 1.021 -4.158 -9.470 561 HE2 LYS 68 HE2 LYS 68 -1.094 -6.082 -10.536 562 HE3 LYS 68 HE3 LYS 68 -0.486 -4.624 -11.322 563 HZ1 LYS 68 HZ1 LYS 68 0.695 -6.369 -12.291 564 HZ2 LYS 68 HZ2 LYS 68 0.998 -7.158 -10.874 565 HZ3 LYS 68 HZ3 LYS 68 1.759 -5.732 -11.249 566 H SER 69 H SER 69 -2.472 -8.204 -5.599 567 HA SER 69 HA SER 69 -4.109 -10.019 -7.249 568 HB2 SER 69 HB2 SER 69 -3.784 -9.958 -4.236 569 HB3 SER 69 HB3 SER 69 -4.533 -11.243 -5.201 570 HG SER 69 HG SER 69 -1.866 -10.428 -4.991 571 H LEU 70 H LEU 70 -5.119 -7.746 -7.845 572 HA LEU 70 HA LEU 70 -7.372 -7.007 -6.048 573 HB2 LEU 70 HB2 LEU 70 -5.663 -5.319 -6.650 574 HB3 LEU 70 HB3 LEU 70 -6.137 -5.477 -8.342 575 HG LEU 70 HG LEU 70 -8.399 -4.642 -7.820 576 HD11 LEU 70 HD11 LEU 70 -8.841 -3.656 -5.557 577 HD12 LEU 70 HD12 LEU 70 -7.376 -4.458 -4.945 578 HD13 LEU 70 HD13 LEU 70 -8.764 -5.413 -5.529 579 HD21 LEU 70 HD21 LEU 70 -7.709 -2.357 -7.210 580 HD22 LEU 70 HD22 LEU 70 -6.542 -3.090 -8.321 581 HD23 LEU 70 HD23 LEU 70 -6.162 -2.992 -6.584 Start of MODEL 5 1 H GLN 1 H1 GLN 1 -44.523 0.381 26.407 2 HA GLN 1 HA GLN 1 -44.038 -1.234 28.040 3 HB2 GLN 1 HB2 GLN 1 -45.160 -3.154 27.070 4 HB3 GLN 1 HB3 GLN 1 -44.031 -3.190 25.720 5 HG2 GLN 1 HG2 GLN 1 -43.463 -4.935 27.325 6 HG3 GLN 1 HG3 GLN 1 -42.166 -3.767 27.257 7 HE21 GLN 1 HE21 GLN 1 -41.738 -5.037 29.384 8 HE22 GLN 1 HE22 GLN 1 -42.511 -4.411 30.828 9 H GLU 2 H GLU 2 -42.292 -1.923 24.892 10 HA GLU 2 HA GLU 2 -39.775 -1.233 26.275 11 HB2 GLU 2 HB2 GLU 2 -39.970 -2.059 23.381 12 HB3 GLU 2 HB3 GLU 2 -38.634 -2.171 24.499 13 HG2 GLU 2 HG2 GLU 2 -39.282 -4.376 24.327 14 HG3 GLU 2 HG3 GLU 2 -40.087 -3.888 25.816 15 H SER 3 H SER 3 -38.684 0.639 26.029 16 HA SER 3 HA SER 3 -38.970 2.265 23.618 17 HB2 SER 3 HB2 SER 3 -40.779 3.038 25.290 18 HB3 SER 3 HB3 SER 3 -39.434 3.643 26.271 19 HG SER 3 HG SER 3 -39.782 5.326 25.020 20 H PHE 4 H PHE 4 -37.209 3.680 23.294 21 HA PHE 4 HA PHE 4 -34.993 3.694 25.235 22 HB2 PHE 4 HB2 PHE 4 -33.501 2.590 23.353 23 HB3 PHE 4 HB3 PHE 4 -34.395 1.664 24.516 24 HD1 PHE 4 HD2 PHE 4 -35.010 3.216 21.109 25 HD2 PHE 4 HD1 PHE 4 -35.560 -0.201 23.680 26 HE1 PHE 4 HE2 PHE 4 -36.179 2.023 19.274 27 HE2 PHE 4 HE1 PHE 4 -36.727 -1.394 21.844 28 HZ PHE 4 HZ PHE 4 -37.050 -0.278 19.644 29 H LYS 5 H LYS 5 -33.044 4.566 24.449 30 HA LYS 5 HA LYS 5 -33.349 6.893 22.608 31 HB2 LYS 5 HB2 LYS 5 -33.889 7.144 25.141 32 HB3 LYS 5 HB3 LYS 5 -32.165 6.935 25.410 33 HG2 LYS 5 HG2 LYS 5 -31.842 8.922 23.753 34 HG3 LYS 5 HG3 LYS 5 -33.590 9.152 23.856 35 HD2 LYS 5 HD2 LYS 5 -31.570 9.296 26.129 36 HD3 LYS 5 HD3 LYS 5 -32.414 10.648 25.376 37 HE2 LYS 5 HE2 LYS 5 -34.572 9.852 26.225 38 HE3 LYS 5 HE3 LYS 5 -33.814 8.411 26.916 39 HZ1 LYS 5 HZ1 LYS 5 -32.686 9.722 28.497 40 HZ2 LYS 5 HZ2 LYS 5 -34.210 10.328 28.497 41 HZ3 LYS 5 HZ3 LYS 5 -33.028 11.143 27.714 42 H LYS 6 H LYS 6 -32.064 4.675 21.755 43 HA LYS 6 HA LYS 6 -29.324 4.460 22.859 44 HB2 LYS 6 HB2 LYS 6 -29.424 2.157 22.082 45 HB3 LYS 6 HB3 LYS 6 -30.805 2.561 23.094 46 HG2 LYS 6 HG2 LYS 6 -32.209 2.841 21.016 47 HG3 LYS 6 HG3 LYS 6 -30.816 2.331 20.048 48 HD2 LYS 6 HD2 LYS 6 -30.815 0.138 21.196 49 HD3 LYS 6 HD3 LYS 6 -32.170 0.660 22.217 50 HE2 LYS 6 HE2 LYS 6 -33.567 0.966 20.184 51 HE3 LYS 6 HE3 LYS 6 -32.221 0.439 19.174 52 HZ1 LYS 6 HZ1 LYS 6 -33.475 -1.271 21.265 53 HZ2 LYS 6 HZ2 LYS 6 -32.326 -1.721 20.187 54 HZ3 LYS 6 HZ3 LYS 6 -33.829 -1.333 19.650 55 H GLN 7 H GLN 7 -30.706 5.380 19.796 56 HA GLN 7 HA GLN 7 -28.745 4.493 18.019 57 HB2 GLN 7 HB2 GLN 7 -29.528 6.177 16.494 58 HB3 GLN 7 HB3 GLN 7 -30.891 5.559 17.418 59 HG2 GLN 7 HG2 GLN 7 -30.692 7.594 18.936 60 HG3 GLN 7 HG3 GLN 7 -29.454 8.222 17.848 61 HE21 GLN 7 HE21 GLN 7 -32.790 8.153 18.457 62 HE22 GLN 7 HE22 GLN 7 -33.231 8.989 16.978 63 H GLU 8 H GLU 8 -26.937 5.459 16.932 64 HA GLU 8 HA GLU 8 -25.519 7.454 18.593 65 HB2 GLU 8 HB2 GLU 8 -23.493 6.878 17.608 66 HB3 GLU 8 HB3 GLU 8 -24.331 5.351 17.892 67 HG2 GLU 8 HG2 GLU 8 -25.119 5.519 15.444 68 HG3 GLU 8 HG3 GLU 8 -23.952 6.834 15.260 69 H LYS 9 H LYS 9 -24.699 9.351 17.895 70 HA LYS 9 HA LYS 9 -25.459 10.379 15.201 71 HB2 LYS 9 HB2 LYS 9 -25.660 11.881 17.843 72 HB3 LYS 9 HB3 LYS 9 -25.794 12.633 16.260 73 HG2 LYS 9 HG2 LYS 9 -27.711 10.515 17.342 74 HG3 LYS 9 HG3 LYS 9 -27.968 12.259 17.369 75 HD2 LYS 9 HD2 LYS 9 -27.783 12.261 14.844 76 HD3 LYS 9 HD3 LYS 9 -27.791 10.484 14.897 77 HE2 LYS 9 HE2 LYS 9 -29.978 10.486 16.008 78 HE3 LYS 9 HE3 LYS 9 -29.926 12.241 16.174 79 HZ1 LYS 9 HZ1 LYS 9 -31.307 11.666 14.317 80 HZ2 LYS 9 HZ2 LYS 9 -30.127 10.786 13.589 81 HZ3 LYS 9 HZ3 LYS 9 -29.968 12.413 13.745 82 H THR 10 H THR 10 -23.924 11.506 14.181 83 HA THR 10 HA THR 10 -21.773 11.959 13.519 84 HB THR 10 HB THR 10 -20.740 13.851 14.814 85 HG1 THR 10 HG1 THR 10 -21.656 13.230 16.837 86 HG21 THR 10 HG21 THR 10 -22.387 14.184 12.980 87 HG22 THR 10 HG22 THR 10 -22.486 15.428 14.233 88 HG23 THR 10 HG23 THR 10 -23.706 14.134 14.172 89 HA PRO 11 HA PRO 11 -19.581 9.103 16.458 90 HB2 PRO 11 HB2 PRO 11 -19.312 6.840 14.975 91 HB3 PRO 11 HB3 PRO 11 -20.854 7.279 15.776 92 HG2 PRO 11 HG2 PRO 11 -20.064 7.818 12.891 93 HG3 PRO 11 HG3 PRO 11 -21.553 7.021 13.501 94 HD2 PRO 11 HD2 PRO 11 -21.501 9.679 12.902 95 HD3 PRO 11 HD3 PRO 11 -22.437 9.047 14.290 96 H LYS 12 H LYS 12 -17.428 8.543 16.592 97 HA LYS 12 HA LYS 12 -15.662 8.623 14.209 98 HB2 LYS 12 HB2 LYS 12 -15.711 10.916 15.224 99 HB3 LYS 12 HB3 LYS 12 -15.139 10.247 16.741 100 HG2 LYS 12 HG2 LYS 12 -13.371 11.363 15.415 101 HG3 LYS 12 HG3 LYS 12 -12.986 9.695 15.787 102 HD2 LYS 12 HD2 LYS 12 -12.328 10.293 13.513 103 HD3 LYS 12 HD3 LYS 12 -13.515 8.990 13.511 104 HE2 LYS 12 HE2 LYS 12 -15.310 10.730 13.039 105 HE3 LYS 12 HE3 LYS 12 -14.023 11.940 12.904 106 HZ1 LYS 12 HZ1 LYS 12 -14.330 9.515 11.228 107 HZ2 LYS 12 HZ2 LYS 12 -13.071 10.567 11.093 108 HZ3 LYS 12 HZ3 LYS 12 -14.627 11.041 10.731 109 H THR 13 H THR 13 -16.068 6.299 14.734 110 HA THR 13 HA THR 13 -15.088 5.224 17.236 111 HB THR 13 HB THR 13 -16.110 3.855 14.723 112 HG1 THR 13 HG1 THR 13 -18.044 3.881 15.901 113 HG21 THR 13 HG21 THR 13 -14.982 2.212 16.215 114 HG22 THR 13 HG22 THR 13 -16.734 1.994 16.202 115 HG23 THR 13 HG23 THR 13 -15.963 2.801 17.583 116 HA PRO 14 HA PRO 14 -10.991 4.427 15.751 117 HB2 PRO 14 HB2 PRO 14 -9.861 3.045 17.801 118 HB3 PRO 14 HB3 PRO 14 -10.350 4.764 17.907 119 HG2 PRO 14 HG2 PRO 14 -11.884 2.327 18.850 120 HG3 PRO 14 HG3 PRO 14 -11.577 3.852 19.734 121 HD2 PRO 14 HD2 PRO 14 -13.913 3.393 18.388 122 HD3 PRO 14 HD3 PRO 14 -13.179 5.019 18.491 123 H LYS 15 H LYS 15 -10.220 3.195 14.273 124 HA LYS 15 HA LYS 15 -9.712 0.340 14.731 125 HB2 LYS 15 HB2 LYS 15 -10.755 1.246 12.005 126 HB3 LYS 15 HB3 LYS 15 -10.120 -0.333 12.437 127 HG2 LYS 15 HG2 LYS 15 -12.296 -0.889 12.595 128 HG3 LYS 15 HG3 LYS 15 -12.112 -0.289 14.225 129 HD2 LYS 15 HD2 LYS 15 -14.049 0.840 13.562 130 HD3 LYS 15 HD3 LYS 15 -12.836 2.036 13.155 131 HE2 LYS 15 HE2 LYS 15 -14.227 1.964 11.262 132 HE3 LYS 15 HE3 LYS 15 -12.810 1.024 10.778 133 HZ1 LYS 15 HZ1 LYS 15 -14.101 -1.008 11.266 134 HZ2 LYS 15 HZ2 LYS 15 -14.890 -0.064 10.173 135 HZ3 LYS 15 HZ3 LYS 15 -15.388 -0.091 11.743 136 H GLY 16 H GLY 16 -7.623 -0.173 14.175 137 HA2 GLY 16 HA2 GLY 16 -6.001 0.857 12.161 138 HA3 GLY 16 HA3 GLY 16 -5.871 2.036 13.456 139 HA PRO 17 HA PRO 17 -3.744 -2.051 15.134 140 HB2 PRO 17 HB2 PRO 17 -2.772 -3.117 12.499 141 HB3 PRO 17 HB3 PRO 17 -3.298 -4.004 13.954 142 HG2 PRO 17 HG2 PRO 17 -4.893 -3.778 11.737 143 HG3 PRO 17 HG3 PRO 17 -5.575 -3.756 13.389 144 HD2 PRO 17 HD2 PRO 17 -5.104 -1.453 11.541 145 HD3 PRO 17 HD3 PRO 17 -6.431 -1.737 12.691 146 H SER 18 H SER 18 -1.339 -2.622 15.192 147 HA SER 18 HA SER 18 0.352 -0.322 14.333 148 HB2 SER 18 HB2 SER 18 0.891 -2.485 16.402 149 HB3 SER 18 HB3 SER 18 1.961 -1.127 16.013 150 HG SER 18 HG SER 18 0.716 -0.666 17.841 151 H SER 19 H SER 19 -0.414 -2.935 12.729 152 HA SER 19 HA SER 19 2.349 -3.730 11.880 153 HB2 SER 19 HB2 SER 19 -0.017 -5.606 12.185 154 HB3 SER 19 HB3 SER 19 1.654 -6.032 11.793 155 HG SER 19 HG SER 19 1.318 -6.508 13.869 156 H VAL 20 H VAL 20 2.190 -5.049 9.691 157 HA VAL 20 HA VAL 20 1.177 -3.431 7.681 158 HB VAL 20 HB VAL 20 1.453 -6.422 7.274 159 HG11 VAL 20 HG11 VAL 20 2.216 -5.670 4.968 160 HG12 VAL 20 HG12 VAL 20 0.556 -5.222 5.316 161 HG13 VAL 20 HG13 VAL 20 1.832 -4.008 5.421 162 HG21 VAL 20 HG21 VAL 20 3.833 -5.960 6.637 163 HG22 VAL 20 HG22 VAL 20 3.649 -4.317 7.300 164 HG23 VAL 20 HG23 VAL 20 3.524 -5.738 8.359 165 H GLU 21 H GLU 21 -0.624 -5.952 9.355 166 HA GLU 21 HA GLU 21 -3.021 -6.263 8.011 167 HB2 GLU 21 HB2 GLU 21 -2.526 -5.622 10.961 168 HB3 GLU 21 HB3 GLU 21 -4.059 -6.161 10.309 169 HG2 GLU 21 HG2 GLU 21 -3.320 -8.178 10.951 170 HG3 GLU 21 HG3 GLU 21 -2.615 -8.176 9.341 171 H ASP 22 H ASP 22 -2.012 -3.266 9.683 172 HA ASP 22 HA ASP 22 -4.564 -1.915 9.522 173 HB2 ASP 22 HB2 ASP 22 -2.796 -1.297 11.142 174 HB3 ASP 22 HB3 ASP 22 -1.709 -0.864 9.831 175 H ILE 23 H ILE 23 -1.525 -1.460 7.664 176 HA ILE 23 HA ILE 23 -2.708 0.428 5.888 177 HB ILE 23 HB ILE 23 -0.368 0.426 6.269 178 HG12 ILE 23 HG12 ILE 23 -0.843 -0.264 3.355 179 HG13 ILE 23 HG13 ILE 23 -1.351 1.250 4.107 180 HG21 ILE 23 HG21 ILE 23 0.124 -1.923 6.583 181 HG22 ILE 23 HG22 ILE 23 -0.176 -2.273 4.867 182 HG23 ILE 23 HG23 ILE 23 1.198 -1.265 5.370 183 HD11 ILE 23 HD11 ILE 23 1.035 1.766 4.654 184 HD12 ILE 23 HD12 ILE 23 1.525 0.286 3.798 185 HD13 ILE 23 HD13 ILE 23 0.716 1.594 2.928 186 H LYS 24 H LYS 24 -2.398 -3.152 5.577 187 HA LYS 24 HA LYS 24 -3.485 -3.044 2.885 188 HB2 LYS 24 HB2 LYS 24 -3.600 -5.395 2.896 189 HB3 LYS 24 HB3 LYS 24 -2.080 -4.841 3.563 190 HG2 LYS 24 HG2 LYS 24 -3.060 -5.342 5.891 191 HG3 LYS 24 HG3 LYS 24 -4.355 -6.185 5.035 192 HD2 LYS 24 HD2 LYS 24 -2.606 -7.484 3.787 193 HD3 LYS 24 HD3 LYS 24 -1.356 -6.718 4.782 194 HE2 LYS 24 HE2 LYS 24 -2.261 -7.847 6.776 195 HE3 LYS 24 HE3 LYS 24 -3.614 -8.480 5.816 196 HZ1 LYS 24 HZ1 LYS 24 -1.926 -10.167 5.968 197 HZ2 LYS 24 HZ2 LYS 24 -0.742 -9.152 5.438 198 HZ3 LYS 24 HZ3 LYS 24 -1.947 -9.635 4.422 199 H ALA 25 H ALA 25 -5.125 -3.557 6.060 200 HA ALA 25 HA ALA 25 -7.722 -3.845 4.890 201 HB1 ALA 25 HB1 ALA 25 -6.871 -2.727 7.590 202 HB2 ALA 25 HB2 ALA 25 -8.530 -3.189 7.141 203 HB3 ALA 25 HB3 ALA 25 -7.257 -4.420 7.195 204 H LYS 26 H LYS 26 -5.973 -0.895 5.964 205 HA LYS 26 HA LYS 26 -8.037 0.974 5.256 206 HB2 LYS 26 HB2 LYS 26 -5.072 1.251 5.834 207 HB3 LYS 26 HB3 LYS 26 -6.100 2.630 5.438 208 HG2 LYS 26 HG2 LYS 26 -7.601 2.037 7.374 209 HG3 LYS 26 HG3 LYS 26 -6.541 0.683 7.728 210 HD2 LYS 26 HD2 LYS 26 -6.052 2.496 9.217 211 HD3 LYS 26 HD3 LYS 26 -4.673 2.243 8.133 212 HE2 LYS 26 HE2 LYS 26 -5.319 4.187 6.797 213 HE3 LYS 26 HE3 LYS 26 -6.825 4.371 7.711 214 HZ1 LYS 26 HZ1 LYS 26 -5.552 4.945 9.660 215 HZ2 LYS 26 HZ2 LYS 26 -5.025 5.891 8.431 216 HZ3 LYS 26 HZ3 LYS 26 -4.128 4.601 8.926 217 H MET 27 H MET 27 -5.381 -0.378 3.301 218 HA MET 27 HA MET 27 -5.791 1.203 0.959 219 HB2 MET 27 HB2 MET 27 -4.706 -1.581 1.421 220 HB3 MET 27 HB3 MET 27 -4.942 -0.965 -0.209 221 HG2 MET 27 HG2 MET 27 -3.426 0.827 0.103 222 HG3 MET 27 HG3 MET 27 -3.328 0.571 1.843 223 HE1 MET 27 HE1 MET 27 -0.719 0.633 -0.515 224 HE2 MET 27 HE2 MET 27 -0.763 0.947 1.234 225 HE3 MET 27 HE3 MET 27 0.288 -0.333 0.576 226 H GLN 28 H GLN 28 -7.345 -2.026 1.780 227 HA GLN 28 HA GLN 28 -9.032 -1.762 -0.575 228 HB2 GLN 28 HB2 GLN 28 -9.256 -3.545 1.831 229 HB3 GLN 28 HB3 GLN 28 -10.534 -3.468 0.624 230 HG2 GLN 28 HG2 GLN 28 -9.154 -5.317 0.009 231 HG3 GLN 28 HG3 GLN 28 -8.896 -4.046 -1.184 232 HE21 GLN 28 HE21 GLN 28 -7.579 -5.421 1.831 233 HE22 GLN 28 HE22 GLN 28 -6.061 -4.606 1.715 234 H ALA 29 H ALA 29 -9.463 -0.560 2.762 235 HA ALA 29 HA ALA 29 -12.165 0.265 2.414 236 HB1 ALA 29 HB1 ALA 29 -11.713 1.830 4.236 237 HB2 ALA 29 HB2 ALA 29 -10.972 0.257 4.587 238 HB3 ALA 29 HB3 ALA 29 -9.967 1.619 4.036 239 H SER 30 H SER 30 -9.088 1.931 1.417 240 HA SER 30 HA SER 30 -10.479 4.149 0.190 241 HB2 SER 30 HB2 SER 30 -7.693 3.017 -0.143 242 HB3 SER 30 HB3 SER 30 -8.297 4.369 -1.124 243 HG SER 30 HG SER 30 -7.231 5.062 0.762 244 H ILE 31 H ILE 31 -9.614 0.917 -1.129 245 HA ILE 31 HA ILE 31 -10.420 1.502 -3.834 246 HB ILE 31 HB ILE 31 -10.331 -1.113 -2.296 247 HG12 ILE 31 HG12 ILE 31 -8.495 0.048 -4.445 248 HG13 ILE 31 HG13 ILE 31 -8.163 0.111 -2.720 249 HG21 ILE 31 HG21 ILE 31 -11.955 -1.377 -4.145 250 HG22 ILE 31 HG22 ILE 31 -10.757 -0.736 -5.290 251 HG23 ILE 31 HG23 ILE 31 -10.488 -2.284 -4.464 252 HD11 ILE 31 HD11 ILE 31 -6.861 -1.658 -3.649 253 HD12 ILE 31 HD12 ILE 31 -8.128 -2.393 -2.655 254 HD13 ILE 31 HD13 ILE 31 -8.261 -2.394 -4.431 255 H GLU 32 H GLU 32 -12.341 0.465 -1.001 256 HA GLU 32 HA GLU 32 -14.852 0.411 -2.497 257 HB2 GLU 32 HB2 GLU 32 -14.224 0.372 0.477 258 HB3 GLU 32 HB3 GLU 32 -15.840 0.186 -0.199 259 HG2 GLU 32 HG2 GLU 32 -13.496 -1.693 -0.751 260 HG3 GLU 32 HG3 GLU 32 -14.784 -1.977 0.414 261 H LYS 33 H LYS 33 -13.198 2.940 -0.651 262 HA LYS 33 HA LYS 33 -15.604 4.672 -0.774 263 HB2 LYS 33 HB2 LYS 33 -12.921 5.050 0.571 264 HB3 LYS 33 HB3 LYS 33 -14.268 6.203 0.630 265 HG2 LYS 33 HG2 LYS 33 -15.727 4.455 1.637 266 HG3 LYS 33 HG3 LYS 33 -14.367 3.358 1.710 267 HD2 LYS 33 HD2 LYS 33 -14.709 5.966 3.243 268 HD3 LYS 33 HD3 LYS 33 -14.646 4.324 3.868 269 HE2 LYS 33 HE2 LYS 33 -12.507 4.863 4.369 270 HE3 LYS 33 HE3 LYS 33 -12.226 4.332 2.710 271 HZ1 LYS 33 HZ1 LYS 33 -11.177 6.465 3.095 272 HZ2 LYS 33 HZ2 LYS 33 -12.566 7.137 3.651 273 HZ3 LYS 33 HZ3 LYS 33 -12.408 6.749 2.064 274 H GLY 34 H GLY 34 -12.583 4.501 -2.597 275 HA2 GLY 34 HA2 GLY 34 -13.618 6.695 -4.290 276 HA3 GLY 34 HA3 GLY 34 -12.181 7.086 -3.357 277 H GLY 35 H GLY 35 -11.457 3.981 -4.055 278 HA2 GLY 35 HA2 GLY 35 -10.459 2.802 -5.761 279 HA3 GLY 35 HA3 GLY 35 -11.355 3.811 -6.892 280 H SER 36 H SER 36 -9.151 5.520 -4.802 281 HA SER 36 HA SER 36 -7.447 6.093 -7.178 282 HB2 SER 36 HB2 SER 36 -8.966 7.833 -6.083 283 HB3 SER 36 HB3 SER 36 -7.808 7.848 -4.744 284 HG SER 36 HG SER 36 -7.073 9.361 -6.091 285 H LEU 37 H LEU 37 -6.266 4.067 -6.620 286 HA LEU 37 HA LEU 37 -4.052 4.636 -4.693 287 HB2 LEU 37 HB2 LEU 37 -5.266 1.936 -5.411 288 HB3 LEU 37 HB3 LEU 37 -3.751 2.172 -4.560 289 HG LEU 37 HG LEU 37 -5.068 3.434 -2.764 290 HD11 LEU 37 HD11 LEU 37 -7.379 2.185 -4.295 291 HD12 LEU 37 HD12 LEU 37 -7.220 3.856 -3.701 292 HD13 LEU 37 HD13 LEU 37 -7.470 2.542 -2.561 293 HD21 LEU 37 HD21 LEU 37 -4.159 1.154 -2.503 294 HD22 LEU 37 HD22 LEU 37 -5.624 0.475 -3.251 295 HD23 LEU 37 HD23 LEU 37 -5.713 1.313 -1.681 296 HA PRO 38 HA PRO 38 -1.612 4.303 -8.433 297 HB2 PRO 38 HB2 PRO 38 0.910 4.435 -7.439 298 HB3 PRO 38 HB3 PRO 38 -0.232 5.806 -7.302 299 HG2 PRO 38 HG2 PRO 38 0.333 3.655 -5.235 300 HG3 PRO 38 HG3 PRO 38 0.391 5.438 -5.012 301 HD2 PRO 38 HD2 PRO 38 -1.805 3.949 -4.364 302 HD3 PRO 38 HD3 PRO 38 -1.957 5.589 -5.061 303 H LYS 39 H LYS 39 0.029 3.039 -9.492 304 HA LYS 39 HA LYS 39 0.487 0.260 -8.463 305 HB2 LYS 39 HB2 LYS 39 0.043 -0.648 -10.679 306 HB3 LYS 39 HB3 LYS 39 -1.379 0.179 -10.035 307 HG2 LYS 39 HG2 LYS 39 -0.907 2.154 -11.440 308 HG3 LYS 39 HG3 LYS 39 0.580 1.397 -12.038 309 HD2 LYS 39 HD2 LYS 39 -0.760 -0.422 -13.067 310 HD3 LYS 39 HD3 LYS 39 -2.256 0.375 -12.506 311 HE2 LYS 39 HE2 LYS 39 -1.664 2.414 -13.756 312 HE3 LYS 39 HE3 LYS 39 -0.121 1.701 -14.234 313 HZ1 LYS 39 HZ1 LYS 39 -1.678 1.528 -16.004 314 HZ2 LYS 39 HZ2 LYS 39 -2.796 0.749 -15.079 315 HZ3 LYS 39 HZ3 LYS 39 -1.367 0.001 -15.451 316 H VAL 40 H VAL 40 1.897 3.008 -10.127 317 HA VAL 40 HA VAL 40 4.251 1.608 -11.116 318 HB VAL 40 HB VAL 40 3.742 4.525 -10.436 319 HG11 VAL 40 HG11 VAL 40 5.708 5.038 -11.856 320 HG12 VAL 40 HG12 VAL 40 6.177 4.134 -10.415 321 HG13 VAL 40 HG13 VAL 40 6.068 3.304 -11.982 322 HG21 VAL 40 HG21 VAL 40 3.554 4.841 -12.865 323 HG22 VAL 40 HG22 VAL 40 3.759 3.103 -13.127 324 HG23 VAL 40 HG23 VAL 40 2.329 3.716 -12.283 325 H GLU 41 H GLU 41 6.122 1.006 -10.012 326 HA GLU 41 HA GLU 41 5.665 0.459 -7.349 327 HB2 GLU 41 HB2 GLU 41 7.701 -0.657 -7.245 328 HB3 GLU 41 HB3 GLU 41 7.128 -0.817 -8.891 329 HG2 GLU 41 HG2 GLU 41 8.730 0.927 -9.646 330 HG3 GLU 41 HG3 GLU 41 9.308 1.117 -7.991 331 H ALA 42 H ALA 42 7.874 3.106 -8.422 332 HA ALA 42 HA ALA 42 8.607 3.879 -5.768 333 HB1 ALA 42 HB1 ALA 42 8.520 5.515 -8.344 334 HB2 ALA 42 HB2 ALA 42 9.415 5.931 -6.867 335 HB3 ALA 42 HB3 ALA 42 9.869 4.491 -7.798 336 H LYS 43 H LYS 43 5.786 4.707 -7.724 337 HA LYS 43 HA LYS 43 4.809 6.886 -6.020 338 HB2 LYS 43 HB2 LYS 43 3.186 5.187 -7.951 339 HB3 LYS 43 HB3 LYS 43 2.782 6.772 -7.315 340 HG2 LYS 43 HG2 LYS 43 4.978 6.103 -9.299 341 HG3 LYS 43 HG3 LYS 43 3.440 6.906 -9.627 342 HD2 LYS 43 HD2 LYS 43 4.217 8.805 -8.116 343 HD3 LYS 43 HD3 LYS 43 5.805 8.003 -8.050 344 HE2 LYS 43 HE2 LYS 43 5.807 8.033 -10.606 345 HE3 LYS 43 HE3 LYS 43 4.343 9.030 -10.524 346 HZ1 LYS 43 HZ1 LYS 43 7.013 9.709 -9.456 347 HZ2 LYS 43 HZ2 LYS 43 5.673 10.616 -9.165 348 HZ3 LYS 43 HZ3 LYS 43 6.232 10.456 -10.704 349 H PHE 44 H PHE 44 4.197 3.386 -6.345 350 HA PHE 44 HA PHE 44 2.197 3.252 -4.317 351 HB2 PHE 44 HB2 PHE 44 2.536 1.494 -6.001 352 HB3 PHE 44 HB3 PHE 44 4.110 1.109 -5.321 353 HD1 PHE 44 HD2 PHE 44 0.435 1.071 -4.669 354 HD2 PHE 44 HD1 PHE 44 4.302 -0.292 -3.336 355 HE1 PHE 44 HE2 PHE 44 -0.659 -0.454 -3.053 356 HE2 PHE 44 HE1 PHE 44 3.202 -1.817 -1.715 357 HZ PHE 44 HZ PHE 44 0.722 -1.910 -1.573 358 H ILE 45 H ILE 45 5.779 2.852 -4.090 359 HA ILE 45 HA ILE 45 5.788 2.447 -1.242 360 HB ILE 45 HB ILE 45 7.919 3.408 -3.166 361 HG12 ILE 45 HG12 ILE 45 7.470 0.729 -1.748 362 HG13 ILE 45 HG13 ILE 45 6.966 1.050 -3.397 363 HG21 ILE 45 HG21 ILE 45 8.491 4.231 -0.900 364 HG22 ILE 45 HG22 ILE 45 8.201 2.614 -0.221 365 HG23 ILE 45 HG23 ILE 45 9.538 2.902 -1.351 366 HD11 ILE 45 HD11 ILE 45 9.000 -0.163 -3.514 367 HD12 ILE 45 HD12 ILE 45 9.355 1.500 -4.020 368 HD13 ILE 45 HD13 ILE 45 9.822 0.931 -2.394 369 H ASN 46 H ASN 46 6.008 5.494 -3.152 370 HA ASN 46 HA ASN 46 6.196 7.330 -0.986 371 HB2 ASN 46 HB2 ASN 46 6.508 8.171 -3.174 372 HB3 ASN 46 HB3 ASN 46 5.074 7.391 -3.801 373 HD21 ASN 46 HD21 ASN 46 3.097 8.506 -3.823 374 HD22 ASN 46 HD22 ASN 46 2.973 10.123 -3.165 375 H TYR 47 H TYR 47 3.304 5.848 -2.449 376 HA TYR 47 HA TYR 47 1.370 7.099 -0.742 377 HB2 TYR 47 HB2 TYR 47 0.744 6.398 -2.870 378 HB3 TYR 47 HB3 TYR 47 1.415 4.782 -2.667 379 HD1 TYR 47 HD1 TYR 47 -1.260 7.028 -1.308 380 HD2 TYR 47 HD2 TYR 47 0.046 2.977 -2.030 381 HE1 TYR 47 HE1 TYR 47 -3.419 6.188 -0.474 382 HE2 TYR 47 HE2 TYR 47 -2.174 2.139 -1.238 383 HH TYR 47 HH TYR 47 -4.708 4.341 -0.024 384 H VAL 48 H VAL 48 3.045 3.927 -0.531 385 HA VAL 48 HA VAL 48 1.850 3.003 1.875 386 HB VAL 48 HB VAL 48 4.563 2.530 0.624 387 HG11 VAL 48 HG11 VAL 48 4.916 0.680 2.264 388 HG12 VAL 48 HG12 VAL 48 5.052 2.280 2.989 389 HG13 VAL 48 HG13 VAL 48 3.581 1.323 3.242 390 HG21 VAL 48 HG21 VAL 48 3.694 0.315 0.205 391 HG22 VAL 48 HG22 VAL 48 2.262 0.628 1.205 392 HG23 VAL 48 HG23 VAL 48 2.473 1.470 -0.343 393 H LYS 49 H LYS 49 4.818 5.043 1.500 394 HA LYS 49 HA LYS 49 5.133 5.555 4.294 395 HB2 LYS 49 HB2 LYS 49 5.852 7.237 1.868 396 HB3 LYS 49 HB3 LYS 49 6.344 7.630 3.510 397 HG2 LYS 49 HG2 LYS 49 7.107 5.014 2.137 398 HG3 LYS 49 HG3 LYS 49 8.059 6.489 2.058 399 HD2 LYS 49 HD2 LYS 49 8.120 6.467 4.622 400 HD3 LYS 49 HD3 LYS 49 7.475 4.810 4.517 401 HE2 LYS 49 HE2 LYS 49 9.407 4.180 3.060 402 HE3 LYS 49 HE3 LYS 49 10.020 5.833 3.170 403 HZ1 LYS 49 HZ1 LYS 49 10.177 5.481 5.624 404 HZ2 LYS 49 HZ2 LYS 49 11.155 4.463 4.754 405 HZ3 LYS 49 HZ3 LYS 49 9.770 3.895 5.387 406 H ASN 50 H ASN 50 2.909 7.092 2.010 407 HA ASN 50 HA ASN 50 1.997 9.116 3.877 408 HB2 ASN 50 HB2 ASN 50 1.332 9.854 1.875 409 HB3 ASN 50 HB3 ASN 50 1.419 8.276 1.128 410 HD21 ASN 50 HD21 ASN 50 -0.487 6.808 1.370 411 HD22 ASN 50 HD22 ASN 50 -2.069 7.589 1.525 412 H CYS 51 H CYS 51 1.202 5.694 3.641 413 HA CYS 51 HA CYS 51 -1.237 6.145 5.318 414 HB2 CYS 51 HB2 CYS 51 -1.386 5.096 2.999 415 HB3 CYS 51 HB3 CYS 51 -0.570 3.679 3.687 416 HG CYS 51 HG CYS 51 -3.354 5.211 4.622 417 H PHE 52 H PHE 52 1.674 4.059 5.195 418 HA PHE 52 HA PHE 52 1.791 4.118 8.085 419 HB2 PHE 52 HB2 PHE 52 0.311 2.112 7.574 420 HB3 PHE 52 HB3 PHE 52 1.717 1.351 6.836 421 HD1 PHE 52 HD2 PHE 52 3.883 1.179 8.394 422 HD2 PHE 52 HD1 PHE 52 -0.130 1.804 9.829 423 HE1 PHE 52 HE2 PHE 52 4.550 0.347 10.635 424 HE2 PHE 52 HE1 PHE 52 0.526 0.939 12.056 425 HZ PHE 52 HZ PHE 52 2.880 0.242 12.469 426 H ARG 53 H ARG 53 3.775 4.924 8.130 427 HA ARG 53 HA ARG 53 5.667 4.543 6.042 428 HB2 ARG 53 HB2 ARG 53 7.050 6.136 7.247 429 HB3 ARG 53 HB3 ARG 53 5.370 6.639 7.063 430 HG2 ARG 53 HG2 ARG 53 4.907 6.002 9.434 431 HG3 ARG 53 HG3 ARG 53 6.598 5.526 9.631 432 HD2 ARG 53 HD2 ARG 53 7.304 7.825 9.045 433 HD3 ARG 53 HD3 ARG 53 5.600 8.313 8.920 434 HE ARG 53 HE ARG 53 5.750 7.195 11.441 435 HH11 ARG 53 HH11 ARG 53 7.513 9.796 9.909 436 HH12 ARG 53 HH12 ARG 53 7.951 10.514 11.444 437 HH21 ARG 53 HH21 ARG 53 6.410 8.096 13.359 438 HH22 ARG 53 HH22 ARG 53 7.478 9.465 13.335 439 H MET 54 H MET 54 5.688 2.223 6.184 440 HA MET 54 HA MET 54 7.323 0.733 7.956 441 HB2 MET 54 HB2 MET 54 6.723 0.335 4.994 442 HB3 MET 54 HB3 MET 54 7.455 -0.884 6.042 443 HG2 MET 54 HG2 MET 54 5.437 -0.945 7.440 444 HG3 MET 54 HG3 MET 54 4.706 0.333 6.469 445 HE1 MET 54 HE1 MET 54 5.324 -4.021 5.063 446 HE2 MET 54 HE2 MET 54 6.722 -2.952 5.304 447 HE3 MET 54 HE3 MET 54 5.711 -3.406 6.688 448 H THR 55 H THR 55 9.370 -0.186 7.679 449 HA THR 55 HA THR 55 11.261 0.946 5.670 450 HB THR 55 HB THR 55 13.108 0.681 7.264 451 HG1 THR 55 HG1 THR 55 11.888 0.784 9.556 452 HG21 THR 55 HG21 THR 55 12.719 2.630 8.616 453 HG22 THR 55 HG22 THR 55 10.953 2.488 8.433 454 HG23 THR 55 HG23 THR 55 11.972 2.895 7.037 455 H ASP 56 H ASP 56 9.893 -1.853 7.178 456 HA ASP 56 HA ASP 56 11.841 -3.849 6.510 457 HB2 ASP 56 HB2 ASP 56 8.828 -3.983 6.946 458 HB3 ASP 56 HB3 ASP 56 9.853 -5.398 6.728 459 H GLN 57 H GLN 57 12.528 -3.498 4.310 460 HA GLN 57 HA GLN 57 10.724 -3.078 2.203 461 HB2 GLN 57 HB2 GLN 57 13.299 -2.669 2.361 462 HB3 GLN 57 HB3 GLN 57 13.443 -4.310 1.745 463 HG2 GLN 57 HG2 GLN 57 13.531 -2.749 -0.130 464 HG3 GLN 57 HG3 GLN 57 12.014 -3.634 -0.234 465 HE21 GLN 57 HE21 GLN 57 10.610 -2.063 -1.191 466 HE22 GLN 57 HE22 GLN 57 10.231 -0.579 -0.322 467 H GLU 58 H GLU 58 11.839 -6.205 3.477 468 HA GLU 58 HA GLU 58 10.829 -7.781 1.299 469 HB2 GLU 58 HB2 GLU 58 10.886 -9.678 2.817 470 HB3 GLU 58 HB3 GLU 58 12.376 -8.751 2.853 471 HG2 GLU 58 HG2 GLU 58 11.732 -7.733 5.006 472 HG3 GLU 58 HG3 GLU 58 10.189 -8.582 4.958 473 H ALA 59 H ALA 59 9.210 -6.370 4.113 474 HA ALA 59 HA ALA 59 6.633 -7.712 3.639 475 HB1 ALA 59 HB1 ALA 59 7.341 -7.211 5.903 476 HB2 ALA 59 HB2 ALA 59 7.403 -5.473 5.517 477 HB3 ALA 59 HB3 ALA 59 5.854 -6.351 5.457 478 H ILE 60 H ILE 60 8.112 -4.508 2.942 479 HA ILE 60 HA ILE 60 5.801 -3.265 1.781 480 HB ILE 60 HB ILE 60 8.740 -2.877 1.208 481 HG12 ILE 60 HG12 ILE 60 6.762 -1.167 2.792 482 HG13 ILE 60 HG13 ILE 60 7.884 -2.309 3.518 483 HG21 ILE 60 HG21 ILE 60 6.336 -1.230 0.271 484 HG22 ILE 60 HG22 ILE 60 8.027 -0.722 0.115 485 HG23 ILE 60 HG23 ILE 60 7.467 -2.122 -0.770 486 HD11 ILE 60 HD11 ILE 60 8.627 0.214 2.013 487 HD12 ILE 60 HD12 ILE 60 8.885 -0.165 3.722 488 HD13 ILE 60 HD13 ILE 60 9.794 -1.048 2.484 489 H GLN 61 H GLN 61 8.375 -5.264 0.187 490 HA GLN 61 HA GLN 61 6.941 -5.146 -2.306 491 HB2 GLN 61 HB2 GLN 61 8.645 -6.463 -3.252 492 HB3 GLN 61 HB3 GLN 61 9.371 -5.308 -2.151 493 HG2 GLN 61 HG2 GLN 61 10.566 -7.269 -1.739 494 HG3 GLN 61 HG3 GLN 61 9.426 -7.188 -0.413 495 HE21 GLN 61 HE21 GLN 61 8.697 -9.240 0.068 496 HE22 GLN 61 HE22 GLN 61 8.360 -10.490 -1.129 497 H ASP 62 H ASP 62 6.754 -7.454 0.368 498 HA ASP 62 HA ASP 62 5.144 -9.431 -1.020 499 HB2 ASP 62 HB2 ASP 62 6.348 -9.859 1.051 500 HB3 ASP 62 HB3 ASP 62 5.420 -8.629 1.900 501 H LEU 63 H LEU 63 4.350 -6.546 0.941 502 HA LEU 63 HA LEU 63 1.530 -6.666 0.810 503 HB2 LEU 63 HB2 LEU 63 2.851 -5.367 2.398 504 HB3 LEU 63 HB3 LEU 63 3.501 -4.370 1.105 505 HG LEU 63 HG LEU 63 1.236 -3.454 0.696 506 HD11 LEU 63 HD11 LEU 63 0.439 -5.013 3.139 507 HD12 LEU 63 HD12 LEU 63 -0.177 -5.229 1.502 508 HD13 LEU 63 HD13 LEU 63 -0.513 -3.720 2.366 509 HD21 LEU 63 HD21 LEU 63 2.326 -3.123 3.484 510 HD22 LEU 63 HD22 LEU 63 1.166 -2.032 2.690 511 HD23 LEU 63 HD23 LEU 63 2.802 -2.223 2.039 512 H TRP 64 H TRP 64 3.905 -5.123 -1.344 513 HA TRP 64 HA TRP 64 2.168 -3.973 -3.306 514 HB2 TRP 64 HB2 TRP 64 4.512 -3.366 -3.027 515 HB3 TRP 64 HB3 TRP 64 5.010 -5.008 -3.342 516 HD1 TRP 64 HD1 TRP 64 2.639 -3.084 -5.701 517 HE1 TRP 64 HE1 TRP 64 3.804 -2.852 -7.984 518 HE3 TRP 64 HE3 TRP 64 7.253 -4.983 -4.501 519 HZ2 TRP 64 HZ2 TRP 64 6.370 -3.409 -9.136 520 HZ3 TRP 64 HZ3 TRP 64 9.015 -5.186 -6.236 521 HH2 TRP 64 HH2 TRP 64 8.588 -4.387 -8.552 522 H GLN 65 H GLN 65 3.816 -7.198 -3.289 523 HA GLN 65 HA GLN 65 2.737 -8.067 -5.780 524 HB2 GLN 65 HB2 GLN 65 4.279 -9.231 -3.552 525 HB3 GLN 65 HB3 GLN 65 3.191 -10.382 -4.287 526 HG2 GLN 65 HG2 GLN 65 5.497 -10.338 -5.259 527 HG3 GLN 65 HG3 GLN 65 4.173 -10.209 -6.416 528 HE21 GLN 65 HE21 GLN 65 5.940 -7.686 -4.444 529 HE22 GLN 65 HE22 GLN 65 6.348 -6.752 -5.887 530 H TRP 66 H TRP 66 1.457 -8.577 -2.434 531 HA TRP 66 HA TRP 66 -0.872 -10.013 -3.319 532 HB2 TRP 66 HB2 TRP 66 0.012 -9.854 -0.966 533 HB3 TRP 66 HB3 TRP 66 -0.678 -8.240 -0.874 534 HD1 TRP 66 HD1 TRP 66 -3.446 -8.143 -1.084 535 HE1 TRP 66 HE1 TRP 66 -5.228 -9.794 -0.224 536 HE3 TRP 66 HE3 TRP 66 -0.542 -12.346 -0.699 537 HZ2 TRP 66 HZ2 TRP 66 -5.375 -12.566 0.489 538 HZ3 TRP 66 HZ3 TRP 66 -1.533 -14.478 0.102 539 HH2 TRP 66 HH2 TRP 66 -3.943 -14.603 0.691 540 H ARG 67 H ARG 67 -0.289 -6.465 -2.951 541 HA ARG 67 HA ARG 67 -2.966 -5.657 -3.553 542 HB2 ARG 67 HB2 ARG 67 -0.719 -4.259 -2.864 543 HB3 ARG 67 HB3 ARG 67 -0.705 -3.969 -4.587 544 HG2 ARG 67 HG2 ARG 67 -2.002 -2.216 -3.975 545 HG3 ARG 67 HG3 ARG 67 -3.314 -3.372 -4.146 546 HD2 ARG 67 HD2 ARG 67 -1.846 -2.767 -1.527 547 HD3 ARG 67 HD3 ARG 67 -3.298 -1.928 -2.049 548 HE ARG 67 HE ARG 67 -4.629 -3.723 -1.471 549 HH11 ARG 67 HH11 ARG 67 -1.268 -4.897 -1.041 550 HH12 ARG 67 HH12 ARG 67 -1.861 -6.072 0.109 551 HH21 ARG 67 HH21 ARG 67 -5.140 -5.275 -0.115 552 HH22 ARG 67 HH22 ARG 67 -3.940 -6.335 0.581 553 H LYS 68 H LYS 68 -0.229 -6.189 -5.822 554 HA LYS 68 HA LYS 68 -1.974 -5.780 -8.108 555 HB2 LYS 68 HB2 LYS 68 -0.141 -6.185 -9.530 556 HB3 LYS 68 HB3 LYS 68 0.328 -5.152 -8.205 557 HG2 LYS 68 HG2 LYS 68 2.171 -6.477 -8.353 558 HG3 LYS 68 HG3 LYS 68 1.270 -7.265 -7.075 559 HD2 LYS 68 HD2 LYS 68 2.278 -8.901 -8.557 560 HD3 LYS 68 HD3 LYS 68 0.524 -9.019 -8.695 561 HE2 LYS 68 HE2 LYS 68 0.531 -7.805 -10.792 562 HE3 LYS 68 HE3 LYS 68 2.236 -7.369 -10.613 563 HZ1 LYS 68 HZ1 LYS 68 1.373 -10.193 -10.792 564 HZ2 LYS 68 HZ2 LYS 68 2.874 -9.584 -11.000 565 HZ3 LYS 68 HZ3 LYS 68 1.711 -9.303 -12.138 566 H SER 69 H SER 69 -1.832 -8.393 -6.061 567 HA SER 69 HA SER 69 -2.800 -10.326 -8.085 568 HB2 SER 69 HB2 SER 69 -2.522 -10.690 -5.082 569 HB3 SER 69 HB3 SER 69 -2.862 -11.943 -6.279 570 HG SER 69 HG SER 69 -0.472 -10.389 -6.059 571 H LEU 70 H LEU 70 -4.248 -7.901 -6.144 572 HA LEU 70 HA LEU 70 -6.824 -9.063 -5.659 573 HB2 LEU 70 HB2 LEU 70 -6.008 -6.193 -6.246 574 HB3 LEU 70 HB3 LEU 70 -7.579 -6.679 -5.630 575 HG LEU 70 HG LEU 70 -4.928 -6.948 -4.155 576 HD11 LEU 70 HD11 LEU 70 -5.762 -4.638 -4.389 577 HD12 LEU 70 HD12 LEU 70 -5.895 -5.204 -2.714 578 HD13 LEU 70 HD13 LEU 70 -7.342 -5.130 -3.741 579 HD21 LEU 70 HD21 LEU 70 -6.332 -7.535 -2.194 580 HD22 LEU 70 HD22 LEU 70 -6.428 -8.755 -3.466 581 HD23 LEU 70 HD23 LEU 70 -7.761 -7.601 -3.250 Start of MODEL 6 1 H GLN 1 H1 GLN 1 -40.619 4.599 26.526 2 HA GLN 1 HA GLN 1 -39.824 6.503 25.404 3 HB2 GLN 1 HB2 GLN 1 -37.508 6.029 25.374 4 HB3 GLN 1 HB3 GLN 1 -38.221 5.030 26.627 5 HG2 GLN 1 HG2 GLN 1 -38.142 3.075 25.021 6 HG3 GLN 1 HG3 GLN 1 -37.306 4.111 23.863 7 HE21 GLN 1 HE21 GLN 1 -35.975 1.864 24.539 8 HE22 GLN 1 HE22 GLN 1 -34.755 2.168 25.763 9 H GLU 2 H GLU 2 -38.949 7.503 23.536 10 HA GLU 2 HA GLU 2 -39.833 6.243 20.952 11 HB2 GLU 2 HB2 GLU 2 -39.326 9.141 21.745 12 HB3 GLU 2 HB3 GLU 2 -39.733 8.590 20.117 13 HG2 GLU 2 HG2 GLU 2 -41.926 7.806 20.872 14 HG3 GLU 2 HG3 GLU 2 -41.535 8.212 22.549 15 H SER 3 H SER 3 -37.174 7.950 22.541 16 HA SER 3 HA SER 3 -35.045 8.389 22.115 17 HB2 SER 3 HB2 SER 3 -35.009 5.969 20.306 18 HB3 SER 3 HB3 SER 3 -33.604 6.815 20.980 19 HG SER 3 HG SER 3 -35.033 4.883 22.082 20 H PHE 4 H PHE 4 -34.011 9.932 21.022 21 HA PHE 4 HA PHE 4 -35.705 11.221 19.081 22 HB2 PHE 4 HB2 PHE 4 -33.187 12.003 20.554 23 HB3 PHE 4 HB3 PHE 4 -33.861 13.019 19.299 24 HD1 PHE 4 HD2 PHE 4 -34.963 11.262 22.477 25 HD2 PHE 4 HD1 PHE 4 -35.412 14.666 19.861 26 HE1 PHE 4 HE2 PHE 4 -36.547 12.285 24.076 27 HE2 PHE 4 HE1 PHE 4 -36.973 15.700 21.487 28 HZ PHE 4 HZ PHE 4 -37.549 14.511 23.596 29 H LYS 5 H LYS 5 -32.675 9.510 18.648 30 HA LYS 5 HA LYS 5 -31.492 8.944 16.756 31 HB2 LYS 5 HB2 LYS 5 -33.968 9.849 15.236 32 HB3 LYS 5 HB3 LYS 5 -32.692 8.819 14.624 33 HG2 LYS 5 HG2 LYS 5 -33.245 7.090 16.336 34 HG3 LYS 5 HG3 LYS 5 -34.613 8.097 16.863 35 HD2 LYS 5 HD2 LYS 5 -35.523 8.051 14.545 36 HD3 LYS 5 HD3 LYS 5 -34.184 6.991 14.065 37 HE2 LYS 5 HE2 LYS 5 -34.965 5.344 15.824 38 HE3 LYS 5 HE3 LYS 5 -36.381 6.383 16.097 39 HZ1 LYS 5 HZ1 LYS 5 -35.600 5.099 13.541 40 HZ2 LYS 5 HZ2 LYS 5 -36.894 6.110 13.709 41 HZ3 LYS 5 HZ3 LYS 5 -36.879 4.642 14.442 42 H LYS 6 H LYS 6 -31.312 10.094 14.205 43 HA LYS 6 HA LYS 6 -30.406 11.689 12.944 44 HB2 LYS 6 HB2 LYS 6 -32.378 12.957 13.635 45 HB3 LYS 6 HB3 LYS 6 -31.469 13.672 14.969 46 HG2 LYS 6 HG2 LYS 6 -29.945 14.768 13.395 47 HG3 LYS 6 HG3 LYS 6 -30.752 13.982 12.031 48 HD2 LYS 6 HD2 LYS 6 -31.493 16.247 12.160 49 HD3 LYS 6 HD3 LYS 6 -32.850 15.216 12.617 50 HE2 LYS 6 HE2 LYS 6 -32.522 15.750 14.988 51 HE3 LYS 6 HE3 LYS 6 -31.007 16.599 14.625 52 HZ1 LYS 6 HZ1 LYS 6 -33.694 17.453 13.703 53 HZ2 LYS 6 HZ2 LYS 6 -32.274 18.221 13.365 54 HZ3 LYS 6 HZ3 LYS 6 -32.843 18.166 14.901 55 H GLN 7 H GLN 7 -28.503 12.313 12.432 56 HA GLN 7 HA GLN 7 -26.315 12.608 12.400 57 HB2 GLN 7 HB2 GLN 7 -26.632 14.071 15.025 58 HB3 GLN 7 HB3 GLN 7 -25.152 13.991 14.063 59 HG2 GLN 7 HG2 GLN 7 -26.349 14.993 12.122 60 HG3 GLN 7 HG3 GLN 7 -27.810 15.132 13.095 61 HE21 GLN 7 HE21 GLN 7 -27.640 16.535 15.149 62 HE22 GLN 7 HE22 GLN 7 -26.647 17.975 14.909 63 H GLU 8 H GLU 8 -26.749 11.842 15.838 64 HA GLU 8 HA GLU 8 -25.908 10.321 17.230 65 HB2 GLU 8 HB2 GLU 8 -26.209 8.453 14.864 66 HB3 GLU 8 HB3 GLU 8 -26.040 7.980 16.558 67 HG2 GLU 8 HG2 GLU 8 -28.112 9.307 17.095 68 HG3 GLU 8 HG3 GLU 8 -28.339 9.590 15.364 69 H LYS 9 H LYS 9 -23.836 10.566 14.427 70 HA LYS 9 HA LYS 9 -21.563 10.456 14.189 71 HB2 LYS 9 HB2 LYS 9 -21.697 11.820 16.897 72 HB3 LYS 9 HB3 LYS 9 -20.429 11.983 15.671 73 HG2 LYS 9 HG2 LYS 9 -22.257 12.819 14.072 74 HG3 LYS 9 HG3 LYS 9 -23.319 12.936 15.479 75 HD2 LYS 9 HD2 LYS 9 -20.683 14.407 15.090 76 HD3 LYS 9 HD3 LYS 9 -22.304 15.092 14.892 77 HE2 LYS 9 HE2 LYS 9 -22.796 14.713 17.278 78 HE3 LYS 9 HE3 LYS 9 -21.211 13.955 17.490 79 HZ1 LYS 9 HZ1 LYS 9 -20.203 16.101 16.831 80 HZ2 LYS 9 HZ2 LYS 9 -21.098 16.253 18.189 81 HZ3 LYS 9 HZ3 LYS 9 -21.693 16.789 16.763 82 H THR 10 H THR 10 -22.186 7.954 14.820 83 HA THR 10 HA THR 10 -19.896 6.950 16.435 84 HB THR 10 HB THR 10 -21.635 5.304 17.520 85 HG1 THR 10 HG1 THR 10 -23.199 7.635 17.214 86 HG21 THR 10 HG21 THR 10 -20.275 6.901 18.802 87 HG22 THR 10 HG22 THR 10 -21.917 6.744 19.444 88 HG23 THR 10 HG23 THR 10 -21.469 8.178 18.498 89 HA PRO 11 HA PRO 11 -20.515 4.448 12.504 90 HB2 PRO 11 HB2 PRO 11 -17.509 4.653 12.753 91 HB3 PRO 11 HB3 PRO 11 -18.519 4.642 11.276 92 HG2 PRO 11 HG2 PRO 11 -17.481 6.958 12.242 93 HG3 PRO 11 HG3 PRO 11 -19.150 6.904 11.599 94 HD2 PRO 11 HD2 PRO 11 -18.236 6.903 14.474 95 HD3 PRO 11 HD3 PRO 11 -19.614 7.738 13.721 96 H LYS 12 H LYS 12 -18.301 4.171 15.242 97 HA LYS 12 HA LYS 12 -17.446 2.560 16.517 98 HB2 LYS 12 HB2 LYS 12 -19.943 1.027 15.746 99 HB3 LYS 12 HB3 LYS 12 -18.873 0.567 17.052 100 HG2 LYS 12 HG2 LYS 12 -20.253 3.293 17.045 101 HG3 LYS 12 HG3 LYS 12 -21.043 1.830 17.596 102 HD2 LYS 12 HD2 LYS 12 -20.295 2.719 19.562 103 HD3 LYS 12 HD3 LYS 12 -19.098 1.486 19.202 104 HE2 LYS 12 HE2 LYS 12 -17.658 3.427 18.221 105 HE3 LYS 12 HE3 LYS 12 -18.860 4.518 18.928 106 HZ1 LYS 12 HZ1 LYS 12 -18.378 3.344 21.086 107 HZ2 LYS 12 HZ2 LYS 12 -17.121 4.229 20.492 108 HZ3 LYS 12 HZ3 LYS 12 -17.136 2.577 20.327 109 H THR 13 H THR 13 -16.841 0.130 16.647 110 HA THR 13 HA THR 13 -15.284 -1.374 15.948 111 HB THR 13 HB THR 13 -16.850 -1.510 13.362 112 HG1 THR 13 HG1 THR 13 -18.363 -2.618 14.387 113 HG21 THR 13 HG21 THR 13 -15.564 -3.647 15.132 114 HG22 THR 13 HG22 THR 13 -14.916 -3.086 13.576 115 HG23 THR 13 HG23 THR 13 -16.464 -3.940 13.629 116 HA PRO 14 HA PRO 14 -12.856 1.513 13.169 117 HB2 PRO 14 HB2 PRO 14 -10.883 2.350 14.853 118 HB3 PRO 14 HB3 PRO 14 -12.505 3.107 14.823 119 HG2 PRO 14 HG2 PRO 14 -11.504 0.939 16.707 120 HG3 PRO 14 HG3 PRO 14 -12.320 2.477 17.129 121 HD2 PRO 14 HD2 PRO 14 -13.700 0.135 16.923 122 HD3 PRO 14 HD3 PRO 14 -14.412 1.684 16.379 123 H LYS 15 H LYS 15 -10.948 0.951 12.049 124 HA LYS 15 HA LYS 15 -9.672 -1.651 12.855 125 HB2 LYS 15 HB2 LYS 15 -10.437 -0.550 10.142 126 HB3 LYS 15 HB3 LYS 15 -9.121 -1.696 10.311 127 HG2 LYS 15 HG2 LYS 15 -10.944 -3.016 9.798 128 HG3 LYS 15 HG3 LYS 15 -10.631 -3.292 11.498 129 HD2 LYS 15 HD2 LYS 15 -13.011 -3.218 11.070 130 HD3 LYS 15 HD3 LYS 15 -12.557 -1.855 12.086 131 HE2 LYS 15 HE2 LYS 15 -12.608 -0.356 10.086 132 HE3 LYS 15 HE3 LYS 15 -12.994 -1.753 9.063 133 HZ1 LYS 15 HZ1 LYS 15 -15.043 -2.023 10.425 134 HZ2 LYS 15 HZ2 LYS 15 -15.029 -0.611 9.611 135 HZ3 LYS 15 HZ3 LYS 15 -14.703 -0.636 11.222 136 H GLY 16 H GLY 16 -7.660 -1.815 13.200 137 HA2 GLY 16 HA2 GLY 16 -5.684 -0.888 11.405 138 HA3 GLY 16 HA3 GLY 16 -5.571 0.101 12.851 139 HA PRO 17 HA PRO 17 -4.859 -4.325 14.505 140 HB2 PRO 17 HB2 PRO 17 -4.375 -5.979 12.052 141 HB3 PRO 17 HB3 PRO 17 -5.183 -6.446 13.575 142 HG2 PRO 17 HG2 PRO 17 -6.667 -5.863 11.396 143 HG3 PRO 17 HG3 PRO 17 -7.149 -5.202 12.995 144 HD2 PRO 17 HD2 PRO 17 -5.578 -3.837 10.794 145 HD3 PRO 17 HD3 PRO 17 -6.992 -3.242 11.687 146 H SER 18 H SER 18 -2.991 -5.069 15.376 147 HA SER 18 HA SER 18 -1.068 -3.158 15.009 148 HB2 SER 18 HB2 SER 18 -0.055 -4.057 17.048 149 HB3 SER 18 HB3 SER 18 -1.818 -4.029 17.130 150 HG SER 18 HG SER 18 -1.195 -5.987 17.870 151 H SER 19 H SER 19 -0.732 -5.201 12.739 152 HA SER 19 HA SER 19 2.224 -4.982 12.757 153 HB2 SER 19 HB2 SER 19 0.888 -7.593 12.023 154 HB3 SER 19 HB3 SER 19 2.597 -7.199 11.813 155 HG SER 19 HG SER 19 2.096 -8.431 13.656 156 H VAL 20 H VAL 20 0.125 -6.637 10.346 157 HA VAL 20 HA VAL 20 0.799 -4.479 8.359 158 HB VAL 20 HB VAL 20 0.900 -7.483 7.906 159 HG11 VAL 20 HG11 VAL 20 1.435 -5.184 5.967 160 HG12 VAL 20 HG12 VAL 20 1.803 -6.892 5.656 161 HG13 VAL 20 HG13 VAL 20 0.131 -6.387 5.848 162 HG21 VAL 20 HG21 VAL 20 3.316 -7.069 7.426 163 HG22 VAL 20 HG22 VAL 20 3.114 -5.377 7.917 164 HG23 VAL 20 HG23 VAL 20 2.907 -6.692 9.098 165 H GLU 21 H GLU 21 -1.614 -6.833 9.497 166 HA GLU 21 HA GLU 21 -3.544 -6.372 7.469 167 HB2 GLU 21 HB2 GLU 21 -3.787 -7.210 10.359 168 HB3 GLU 21 HB3 GLU 21 -5.207 -6.984 9.324 169 HG2 GLU 21 HG2 GLU 21 -4.174 -8.583 7.671 170 HG3 GLU 21 HG3 GLU 21 -2.913 -8.934 8.853 171 H ASP 22 H ASP 22 -2.502 -4.163 9.970 172 HA ASP 22 HA ASP 22 -4.554 -2.172 9.799 173 HB2 ASP 22 HB2 ASP 22 -2.829 -2.034 11.465 174 HB3 ASP 22 HB3 ASP 22 -1.544 -2.042 10.253 175 H ILE 23 H ILE 23 -1.453 -2.279 7.918 176 HA ILE 23 HA ILE 23 -2.360 -0.090 6.315 177 HB ILE 23 HB ILE 23 0.031 -0.705 6.904 178 HG12 ILE 23 HG12 ILE 23 -0.584 0.095 4.041 179 HG13 ILE 23 HG13 ILE 23 -0.657 1.150 5.454 180 HG21 ILE 23 HG21 ILE 23 -0.155 -2.459 4.415 181 HG22 ILE 23 HG22 ILE 23 1.308 -2.084 5.346 182 HG23 ILE 23 HG23 ILE 23 0.036 -3.042 6.082 183 HD11 ILE 23 HD11 ILE 23 1.834 0.661 5.835 184 HD12 ILE 23 HD12 ILE 23 1.835 -0.080 4.224 185 HD13 ILE 23 HD13 ILE 23 1.431 1.635 4.419 186 H LYS 24 H LYS 24 -2.519 -3.583 5.841 187 HA LYS 24 HA LYS 24 -3.776 -3.660 3.215 188 HB2 LYS 24 HB2 LYS 24 -4.176 -5.337 5.725 189 HB3 LYS 24 HB3 LYS 24 -4.881 -5.718 4.174 190 HG2 LYS 24 HG2 LYS 24 -1.866 -5.552 4.549 191 HG3 LYS 24 HG3 LYS 24 -2.812 -6.997 4.907 192 HD2 LYS 24 HD2 LYS 24 -3.742 -6.824 2.504 193 HD3 LYS 24 HD3 LYS 24 -2.479 -5.627 2.215 194 HE2 LYS 24 HE2 LYS 24 -1.736 -7.787 1.428 195 HE3 LYS 24 HE3 LYS 24 -0.751 -7.355 2.831 196 HZ1 LYS 24 HZ1 LYS 24 -1.633 -9.703 2.783 197 HZ2 LYS 24 HZ2 LYS 24 -3.148 -9.097 3.041 198 HZ3 LYS 24 HZ3 LYS 24 -1.970 -8.893 4.159 199 H ALA 25 H ALA 25 -5.432 -3.540 6.476 200 HA ALA 25 HA ALA 25 -8.010 -3.313 5.316 201 HB1 ALA 25 HB1 ALA 25 -8.720 -2.619 7.588 202 HB2 ALA 25 HB2 ALA 25 -7.640 -4.019 7.634 203 HB3 ALA 25 HB3 ALA 25 -7.017 -2.406 8.054 204 H LYS 26 H LYS 26 -5.718 -0.764 6.240 205 HA LYS 26 HA LYS 26 -7.450 1.494 5.709 206 HB2 LYS 26 HB2 LYS 26 -4.449 1.114 6.008 207 HB3 LYS 26 HB3 LYS 26 -5.170 2.708 5.714 208 HG2 LYS 26 HG2 LYS 26 -6.327 2.711 7.795 209 HG3 LYS 26 HG3 LYS 26 -6.209 0.976 7.973 210 HD2 LYS 26 HD2 LYS 26 -4.809 1.971 9.575 211 HD3 LYS 26 HD3 LYS 26 -3.828 1.111 8.395 212 HE2 LYS 26 HE2 LYS 26 -3.115 3.223 7.375 213 HE3 LYS 26 HE3 LYS 26 -4.152 4.135 8.492 214 HZ1 LYS 26 HZ1 LYS 26 -1.790 3.961 9.282 215 HZ2 LYS 26 HZ2 LYS 26 -1.997 2.305 9.415 216 HZ3 LYS 26 HZ3 LYS 26 -2.869 3.330 10.326 217 H MET 27 H MET 27 -5.153 -0.288 3.591 218 HA MET 27 HA MET 27 -5.696 1.417 1.275 219 HB2 MET 27 HB2 MET 27 -4.342 -1.279 1.584 220 HB3 MET 27 HB3 MET 27 -4.580 -0.463 0.030 221 HG2 MET 27 HG2 MET 27 -3.390 1.535 0.885 222 HG3 MET 27 HG3 MET 27 -3.062 0.697 2.397 223 HE1 MET 27 HE1 MET 27 -0.906 2.141 0.616 224 HE2 MET 27 HE2 MET 27 -0.446 1.284 2.098 225 HE3 MET 27 HE3 MET 27 0.430 0.973 0.583 226 H GLN 28 H GLN 28 -7.040 -1.752 2.367 227 HA GLN 28 HA GLN 28 -8.763 -2.029 0.092 228 HB2 GLN 28 HB2 GLN 28 -9.155 -3.104 2.897 229 HB3 GLN 28 HB3 GLN 28 -10.023 -3.607 1.458 230 HG2 GLN 28 HG2 GLN 28 -7.504 -4.575 2.501 231 HG3 GLN 28 HG3 GLN 28 -8.566 -5.280 1.301 232 HE21 GLN 28 HE21 GLN 28 -8.276 -4.232 -1.075 233 HE22 GLN 28 HE22 GLN 28 -6.597 -3.738 -1.392 234 H ALA 29 H ALA 29 -9.335 -0.418 3.258 235 HA ALA 29 HA ALA 29 -11.952 0.566 2.675 236 HB1 ALA 29 HB1 ALA 29 -9.712 1.798 4.336 237 HB2 ALA 29 HB2 ALA 29 -11.429 2.252 4.394 238 HB3 ALA 29 HB3 ALA 29 -10.924 0.642 4.917 239 H SER 30 H SER 30 -8.709 1.951 1.919 240 HA SER 30 HA SER 30 -9.534 4.382 0.769 241 HB2 SER 30 HB2 SER 30 -7.164 3.597 1.263 242 HB3 SER 30 HB3 SER 30 -7.239 2.672 -0.244 243 HG SER 30 HG SER 30 -7.467 5.468 0.124 244 H ILE 31 H ILE 31 -9.057 1.219 -0.978 245 HA ILE 31 HA ILE 31 -10.025 2.288 -3.455 246 HB ILE 31 HB ILE 31 -8.698 0.353 -3.553 247 HG12 ILE 31 HG12 ILE 31 -11.540 -0.189 -4.504 248 HG13 ILE 31 HG13 ILE 31 -10.241 0.631 -5.377 249 HG21 ILE 31 HG21 ILE 31 -9.267 -0.701 -1.443 250 HG22 ILE 31 HG22 ILE 31 -10.829 -1.249 -2.099 251 HG23 ILE 31 HG23 ILE 31 -9.284 -1.856 -2.744 252 HD11 ILE 31 HD11 ILE 31 -10.477 -1.590 -6.257 253 HD12 ILE 31 HD12 ILE 31 -8.975 -1.584 -5.301 254 HD13 ILE 31 HD13 ILE 31 -10.472 -2.305 -4.637 255 H GLU 32 H GLU 32 -11.953 0.560 -0.839 256 HA GLU 32 HA GLU 32 -14.304 0.915 -2.536 257 HB2 GLU 32 HB2 GLU 32 -15.697 0.188 -0.746 258 HB3 GLU 32 HB3 GLU 32 -14.378 -0.925 -1.076 259 HG2 GLU 32 HG2 GLU 32 -13.229 -0.340 0.889 260 HG3 GLU 32 HG3 GLU 32 -14.246 1.087 1.196 261 H LYS 33 H LYS 33 -12.754 3.122 -0.342 262 HA LYS 33 HA LYS 33 -14.990 5.052 -0.465 263 HB2 LYS 33 HB2 LYS 33 -12.197 5.181 0.738 264 HB3 LYS 33 HB3 LYS 33 -13.346 6.508 0.817 265 HG2 LYS 33 HG2 LYS 33 -13.935 3.746 1.958 266 HG3 LYS 33 HG3 LYS 33 -13.220 5.068 2.881 267 HD2 LYS 33 HD2 LYS 33 -15.204 6.450 2.579 268 HD3 LYS 33 HD3 LYS 33 -15.930 5.242 1.493 269 HE2 LYS 33 HE2 LYS 33 -15.926 3.573 3.272 270 HE3 LYS 33 HE3 LYS 33 -15.208 4.728 4.409 271 HZ1 LYS 33 HZ1 LYS 33 -17.191 5.861 4.575 272 HZ2 LYS 33 HZ2 LYS 33 -17.776 4.369 4.277 273 HZ3 LYS 33 HZ3 LYS 33 -17.721 5.455 3.056 274 H GLY 34 H GLY 34 -12.755 4.185 -2.734 275 HA2 GLY 34 HA2 GLY 34 -12.956 5.138 -4.891 276 HA3 GLY 34 HA3 GLY 34 -13.329 6.712 -4.197 277 H GLY 35 H GLY 35 -10.576 5.275 -2.753 278 HA2 GLY 35 HA2 GLY 35 -8.608 6.931 -4.201 279 HA3 GLY 35 HA3 GLY 35 -8.339 5.828 -2.854 280 H SER 36 H SER 36 -6.446 5.339 -4.357 281 HA SER 36 HA SER 36 -7.074 2.985 -6.060 282 HB2 SER 36 HB2 SER 36 -5.636 3.818 -7.874 283 HB3 SER 36 HB3 SER 36 -7.039 4.862 -7.607 284 HG SER 36 HG SER 36 -5.191 6.110 -7.852 285 H LEU 37 H LEU 37 -5.292 1.662 -6.577 286 HA LEU 37 HA LEU 37 -3.115 1.593 -4.523 287 HB2 LEU 37 HB2 LEU 37 -4.803 -0.557 -5.791 288 HB3 LEU 37 HB3 LEU 37 -3.167 -0.916 -5.263 289 HG LEU 37 HG LEU 37 -3.667 -0.210 -2.968 290 HD11 LEU 37 HD11 LEU 37 -6.487 0.222 -4.021 291 HD12 LEU 37 HD12 LEU 37 -5.446 1.403 -3.189 292 HD13 LEU 37 HD13 LEU 37 -6.095 0.038 -2.294 293 HD21 LEU 37 HD21 LEU 37 -3.964 -2.565 -3.669 294 HD22 LEU 37 HD22 LEU 37 -5.663 -2.227 -4.068 295 HD23 LEU 37 HD23 LEU 37 -5.093 -2.110 -2.384 296 HA PRO 38 HA PRO 38 -1.192 2.828 -8.446 297 HB2 PRO 38 HB2 PRO 38 1.214 3.131 -6.652 298 HB3 PRO 38 HB3 PRO 38 0.613 4.250 -7.905 299 HG2 PRO 38 HG2 PRO 38 0.115 4.798 -5.340 300 HG3 PRO 38 HG3 PRO 38 -1.227 4.920 -6.530 301 HD2 PRO 38 HD2 PRO 38 -0.596 2.604 -4.676 302 HD3 PRO 38 HD3 PRO 38 -2.145 3.448 -4.937 303 H LYS 39 H LYS 39 0.162 1.992 -9.978 304 HA LYS 39 HA LYS 39 1.485 -0.616 -9.424 305 HB2 LYS 39 HB2 LYS 39 1.238 -1.106 -11.695 306 HB3 LYS 39 HB3 LYS 39 -0.258 -0.285 -11.256 307 HG2 LYS 39 HG2 LYS 39 0.879 1.880 -12.165 308 HG3 LYS 39 HG3 LYS 39 2.126 0.799 -12.808 309 HD2 LYS 39 HD2 LYS 39 0.180 -0.442 -13.963 310 HD3 LYS 39 HD3 LYS 39 -0.800 0.984 -13.579 311 HE2 LYS 39 HE2 LYS 39 0.865 2.430 -14.747 312 HE3 LYS 39 HE3 LYS 39 1.865 1.005 -15.080 313 HZ1 LYS 39 HZ1 LYS 39 -0.049 0.102 -16.339 314 HZ2 LYS 39 HZ2 LYS 39 0.609 1.454 -16.990 315 HZ3 LYS 39 HZ3 LYS 39 -0.817 1.568 -16.172 316 H VAL 40 H VAL 40 2.369 2.690 -10.294 317 HA VAL 40 HA VAL 40 5.068 1.887 -11.197 318 HB VAL 40 HB VAL 40 3.811 4.637 -10.913 319 HG11 VAL 40 HG11 VAL 40 6.273 4.808 -10.801 320 HG12 VAL 40 HG12 VAL 40 6.426 3.777 -12.241 321 HG13 VAL 40 HG13 VAL 40 5.694 5.387 -12.363 322 HG21 VAL 40 HG21 VAL 40 4.264 2.866 -13.356 323 HG22 VAL 40 HG22 VAL 40 2.697 3.358 -12.664 324 HG23 VAL 40 HG23 VAL 40 3.741 4.562 -13.406 325 H GLU 41 H GLU 41 6.906 1.960 -10.008 326 HA GLU 41 HA GLU 41 6.545 1.528 -7.318 327 HB2 GLU 41 HB2 GLU 41 8.830 1.118 -7.113 328 HB3 GLU 41 HB3 GLU 41 8.368 0.617 -8.732 329 HG2 GLU 41 HG2 GLU 41 9.916 3.131 -7.973 330 HG3 GLU 41 HG3 GLU 41 10.566 1.672 -8.689 331 H ALA 42 H ALA 42 8.004 4.563 -8.607 332 HA ALA 42 HA ALA 42 8.471 5.777 -6.098 333 HB1 ALA 42 HB1 ALA 42 8.485 7.858 -7.460 334 HB2 ALA 42 HB2 ALA 42 9.362 6.547 -8.258 335 HB3 ALA 42 HB3 ALA 42 7.729 6.990 -8.807 336 H LYS 43 H LYS 43 5.459 5.445 -7.868 337 HA LYS 43 HA LYS 43 3.948 7.414 -6.255 338 HB2 LYS 43 HB2 LYS 43 2.749 5.417 -8.183 339 HB3 LYS 43 HB3 LYS 43 2.132 6.989 -7.694 340 HG2 LYS 43 HG2 LYS 43 4.482 6.402 -9.534 341 HG3 LYS 43 HG3 LYS 43 2.902 7.018 -10.003 342 HD2 LYS 43 HD2 LYS 43 3.344 9.155 -8.889 343 HD3 LYS 43 HD3 LYS 43 4.884 8.539 -8.247 344 HE2 LYS 43 HE2 LYS 43 5.669 8.161 -10.597 345 HE3 LYS 43 HE3 LYS 43 4.184 8.918 -11.189 346 HZ1 LYS 43 HZ1 LYS 43 6.163 10.310 -9.442 347 HZ2 LYS 43 HZ2 LYS 43 4.859 10.984 -10.162 348 HZ3 LYS 43 HZ3 LYS 43 6.116 10.413 -11.066 349 H PHE 44 H PHE 44 4.196 3.869 -6.624 350 HA PHE 44 HA PHE 44 2.344 3.188 -4.574 351 HB2 PHE 44 HB2 PHE 44 3.248 1.618 -6.274 352 HB3 PHE 44 HB3 PHE 44 4.827 1.695 -5.507 353 HD1 PHE 44 HD1 PHE 44 1.241 0.790 -4.854 354 HD2 PHE 44 HD2 PHE 44 5.361 0.167 -3.744 355 HE1 PHE 44 HE1 PHE 44 0.561 -1.091 -3.382 356 HE2 PHE 44 HE2 PHE 44 4.678 -1.739 -2.302 357 HZ PHE 44 HZ PHE 44 2.285 -2.367 -2.122 358 H ILE 45 H ILE 45 5.893 3.824 -4.369 359 HA ILE 45 HA ILE 45 6.033 3.447 -1.525 360 HB ILE 45 HB ILE 45 7.840 4.963 -3.433 361 HG12 ILE 45 HG12 ILE 45 8.259 2.272 -2.030 362 HG13 ILE 45 HG13 ILE 45 7.561 2.389 -3.634 363 HG21 ILE 45 HG21 ILE 45 8.142 5.850 -1.133 364 HG22 ILE 45 HG22 ILE 45 8.323 4.189 -0.509 365 HG23 ILE 45 HG23 ILE 45 9.531 4.892 -1.606 366 HD11 ILE 45 HD11 ILE 45 9.616 3.533 -4.461 367 HD12 ILE 45 HD12 ILE 45 10.370 3.272 -2.866 368 HD13 ILE 45 HD13 ILE 45 9.894 1.889 -3.855 369 H ASN 46 H ASN 46 5.329 6.462 -3.454 370 HA ASN 46 HA ASN 46 5.010 8.135 -1.134 371 HB2 ASN 46 HB2 ASN 46 4.976 9.293 -3.182 372 HB3 ASN 46 HB3 ASN 46 3.790 8.205 -3.912 373 HD21 ASN 46 HD21 ASN 46 1.597 8.759 -3.792 374 HD22 ASN 46 HD22 ASN 46 0.978 9.956 -2.677 375 H TYR 47 H TYR 47 2.564 6.068 -2.803 376 HA TYR 47 HA TYR 47 0.453 6.712 -1.039 377 HB2 TYR 47 HB2 TYR 47 0.190 5.798 -3.257 378 HB3 TYR 47 HB3 TYR 47 0.923 4.270 -2.771 379 HD1 TYR 47 HD2 TYR 47 -1.974 6.555 -1.997 380 HD2 TYR 47 HD1 TYR 47 -0.466 2.507 -2.045 381 HE1 TYR 47 HE2 TYR 47 -4.235 5.703 -1.394 382 HE2 TYR 47 HE1 TYR 47 -2.746 1.666 -1.476 383 HH TYR 47 HH TYR 47 -5.529 3.839 -1.021 384 H VAL 48 H VAL 48 2.863 4.063 -0.778 385 HA VAL 48 HA VAL 48 1.882 2.947 1.688 386 HB VAL 48 HB VAL 48 4.665 3.009 0.475 387 HG11 VAL 48 HG11 VAL 48 3.715 1.559 2.992 388 HG12 VAL 48 HG12 VAL 48 5.230 1.210 2.128 389 HG13 VAL 48 HG13 VAL 48 4.999 2.778 2.895 390 HG21 VAL 48 HG21 VAL 48 2.696 0.707 0.869 391 HG22 VAL 48 HG22 VAL 48 2.879 1.601 -0.651 392 HG23 VAL 48 HG23 VAL 48 4.234 0.667 -0.017 393 H LYS 49 H LYS 49 4.437 5.506 1.194 394 HA LYS 49 HA LYS 49 4.753 6.008 4.012 395 HB2 LYS 49 HB2 LYS 49 5.341 7.678 1.534 396 HB3 LYS 49 HB3 LYS 49 5.760 8.205 3.168 397 HG2 LYS 49 HG2 LYS 49 7.215 6.280 3.508 398 HG3 LYS 49 HG3 LYS 49 6.742 5.589 1.947 399 HD2 LYS 49 HD2 LYS 49 7.673 7.572 0.784 400 HD3 LYS 49 HD3 LYS 49 8.205 8.240 2.341 401 HE2 LYS 49 HE2 LYS 49 9.689 6.320 2.710 402 HE3 LYS 49 HE3 LYS 49 9.044 5.512 1.273 403 HZ1 LYS 49 HZ1 LYS 49 9.902 7.426 -0.043 404 HZ2 LYS 49 HZ2 LYS 49 11.079 6.533 0.623 405 HZ3 LYS 49 HZ3 LYS 49 10.676 7.996 1.272 406 H ASN 50 H ASN 50 2.416 7.310 1.732 407 HA ASN 50 HA ASN 50 1.201 9.230 3.514 408 HB2 ASN 50 HB2 ASN 50 0.726 9.498 1.237 409 HB3 ASN 50 HB3 ASN 50 0.451 7.787 0.971 410 HD21 ASN 50 HD21 ASN 50 -1.547 6.839 1.452 411 HD22 ASN 50 HD22 ASN 50 -2.958 7.816 1.815 412 H CYS 51 H CYS 51 0.592 5.707 2.987 413 HA CYS 51 HA CYS 51 -1.630 5.668 4.863 414 HB2 CYS 51 HB2 CYS 51 -0.068 3.437 3.502 415 HB3 CYS 51 HB3 CYS 51 -1.492 3.202 4.535 416 HG CYS 51 HG CYS 51 -1.147 4.609 1.596 417 H PHE 52 H PHE 52 1.749 4.434 5.075 418 HA PHE 52 HA PHE 52 2.122 5.240 7.766 419 HB2 PHE 52 HB2 PHE 52 0.752 3.368 8.457 420 HB3 PHE 52 HB3 PHE 52 1.538 2.291 7.324 421 HD1 PHE 52 HD1 PHE 52 2.670 4.628 10.076 422 HD2 PHE 52 HD2 PHE 52 2.866 0.674 8.367 423 HE1 PHE 52 HE1 PHE 52 4.306 3.957 11.813 424 HE2 PHE 52 HE2 PHE 52 4.474 -0.004 10.132 425 HZ PHE 52 HZ PHE 52 5.219 1.641 11.837 426 H ARG 53 H ARG 53 4.310 5.420 8.110 427 HA ARG 53 HA ARG 53 6.235 4.589 6.080 428 HB2 ARG 53 HB2 ARG 53 6.194 6.725 7.334 429 HB3 ARG 53 HB3 ARG 53 6.640 5.848 8.798 430 HG2 ARG 53 HG2 ARG 53 8.457 5.478 6.437 431 HG3 ARG 53 HG3 ARG 53 8.357 7.122 7.040 432 HD2 ARG 53 HD2 ARG 53 9.258 4.705 8.648 433 HD3 ARG 53 HD3 ARG 53 10.263 6.001 8.000 434 HE ARG 53 HE ARG 53 8.128 6.931 9.781 435 HH11 ARG 53 HH11 ARG 53 11.581 6.157 9.688 436 HH12 ARG 53 HH12 ARG 53 11.780 6.716 11.332 437 HH21 ARG 53 HH21 ARG 53 8.613 7.713 11.845 438 HH22 ARG 53 HH22 ARG 53 10.247 7.536 12.430 439 H MET 54 H MET 54 5.626 2.373 6.258 440 HA MET 54 HA MET 54 6.244 0.699 8.476 441 HB2 MET 54 HB2 MET 54 4.626 0.331 6.599 442 HB3 MET 54 HB3 MET 54 5.984 0.030 5.512 443 HG2 MET 54 HG2 MET 54 6.576 -1.980 6.727 444 HG3 MET 54 HG3 MET 54 5.453 -1.580 8.031 445 HE1 MET 54 HE1 MET 54 4.510 -1.208 4.111 446 HE2 MET 54 HE2 MET 54 5.736 -2.495 4.222 447 HE3 MET 54 HE3 MET 54 4.059 -2.896 3.793 448 H THR 55 H THR 55 8.234 1.708 5.765 449 HA THR 55 HA THR 55 10.229 1.284 4.947 450 HB THR 55 HB THR 55 10.806 2.664 6.810 451 HG1 THR 55 HG1 THR 55 12.682 2.550 6.008 452 HG21 THR 55 HG21 THR 55 11.528 0.067 8.204 453 HG22 THR 55 HG22 THR 55 10.414 1.339 8.767 454 HG23 THR 55 HG23 THR 55 12.147 1.665 8.678 455 H ASP 56 H ASP 56 9.177 -1.401 6.832 456 HA ASP 56 HA ASP 56 11.185 -3.305 6.263 457 HB2 ASP 56 HB2 ASP 56 8.183 -3.659 6.576 458 HB3 ASP 56 HB3 ASP 56 9.364 -4.967 6.620 459 H GLN 57 H GLN 57 12.013 -3.401 4.211 460 HA GLN 57 HA GLN 57 10.491 -3.213 1.844 461 HB2 GLN 57 HB2 GLN 57 13.254 -3.728 2.521 462 HB3 GLN 57 HB3 GLN 57 12.758 -4.884 1.293 463 HG2 GLN 57 HG2 GLN 57 12.426 -1.863 1.110 464 HG3 GLN 57 HG3 GLN 57 13.697 -2.792 0.325 465 HE21 GLN 57 HE21 GLN 57 11.107 -1.147 -0.590 466 HE22 GLN 57 HE22 GLN 57 10.351 -2.241 -1.743 467 H GLU 58 H GLU 58 11.272 -6.127 3.737 468 HA GLU 58 HA GLU 58 10.100 -8.081 2.066 469 HB2 GLU 58 HB2 GLU 58 9.808 -9.405 4.117 470 HB3 GLU 58 HB3 GLU 58 11.411 -8.693 3.953 471 HG2 GLU 58 HG2 GLU 58 10.688 -6.871 5.572 472 HG3 GLU 58 HG3 GLU 58 9.192 -7.771 5.817 473 H ALA 59 H ALA 59 8.418 -5.794 4.260 474 HA ALA 59 HA ALA 59 5.802 -7.054 3.710 475 HB1 ALA 59 HB1 ALA 59 6.192 -6.117 5.922 476 HB2 ALA 59 HB2 ALA 59 6.473 -4.511 5.203 477 HB3 ALA 59 HB3 ALA 59 4.877 -5.290 5.056 478 H ILE 60 H ILE 60 7.617 -4.122 2.661 479 HA ILE 60 HA ILE 60 5.579 -2.999 0.998 480 HB ILE 60 HB ILE 60 8.594 -2.933 0.772 481 HG12 ILE 60 HG12 ILE 60 6.626 -0.810 1.748 482 HG13 ILE 60 HG13 ILE 60 7.516 -1.888 2.812 483 HG21 ILE 60 HG21 ILE 60 7.615 -2.453 -1.466 484 HG22 ILE 60 HG22 ILE 60 6.528 -1.250 -0.737 485 HG23 ILE 60 HG23 ILE 60 8.283 -0.993 -0.775 486 HD11 ILE 60 HD11 ILE 60 8.714 0.156 2.797 487 HD12 ILE 60 HD12 ILE 60 9.668 -0.999 1.843 488 HD13 ILE 60 HD13 ILE 60 8.702 0.264 1.031 489 H GLN 61 H GLN 61 8.091 -5.450 0.153 490 HA GLN 61 HA GLN 61 6.997 -5.792 -2.483 491 HB2 GLN 61 HB2 GLN 61 8.612 -7.484 -2.823 492 HB3 GLN 61 HB3 GLN 61 9.343 -6.162 -1.931 493 HG2 GLN 61 HG2 GLN 61 10.200 -7.996 -0.809 494 HG3 GLN 61 HG3 GLN 61 8.844 -7.550 0.198 495 HE21 GLN 61 HE21 GLN 61 8.127 -9.476 1.060 496 HE22 GLN 61 HE22 GLN 61 7.835 -10.936 0.140 497 H ASP 62 H ASP 62 6.260 -7.499 0.620 498 HA ASP 62 HA ASP 62 4.636 -9.485 -0.730 499 HB2 ASP 62 HB2 ASP 62 5.640 -9.506 1.667 500 HB3 ASP 62 HB3 ASP 62 4.150 -8.675 2.118 501 H LEU 63 H LEU 63 4.012 -6.218 0.430 502 HA LEU 63 HA LEU 63 1.197 -6.198 -0.059 503 HB2 LEU 63 HB2 LEU 63 2.873 -4.555 1.259 504 HB3 LEU 63 HB3 LEU 63 2.772 -3.657 -0.240 505 HG LEU 63 HG LEU 63 0.529 -4.469 1.668 506 HD11 LEU 63 HD11 LEU 63 1.952 -2.601 2.411 507 HD12 LEU 63 HD12 LEU 63 0.319 -2.038 2.021 508 HD13 LEU 63 HD13 LEU 63 1.648 -1.745 0.881 509 HD21 LEU 63 HD21 LEU 63 -0.433 -4.489 -0.584 510 HD22 LEU 63 HD22 LEU 63 0.266 -2.890 -0.928 511 HD23 LEU 63 HD23 LEU 63 -0.998 -3.076 0.305 512 H TRP 64 H TRP 64 4.063 -5.415 -2.117 513 HA TRP 64 HA TRP 64 2.656 -4.763 -4.535 514 HB2 TRP 64 HB2 TRP 64 5.352 -5.848 -3.861 515 HB3 TRP 64 HB3 TRP 64 4.767 -6.246 -5.448 516 HD1 TRP 64 HD1 TRP 64 3.537 -2.892 -5.275 517 HE1 TRP 64 HE1 TRP 64 5.194 -1.299 -6.436 518 HE3 TRP 64 HE3 TRP 64 7.735 -5.847 -5.288 519 HZ2 TRP 64 HZ2 TRP 64 8.002 -1.163 -6.946 520 HZ3 TRP 64 HZ3 TRP 64 9.884 -4.950 -6.152 521 HH2 TRP 64 HH2 TRP 64 10.042 -2.608 -6.956 522 H GLN 65 H GLN 65 3.623 -8.027 -3.261 523 HA GLN 65 HA GLN 65 2.505 -9.460 -5.461 524 HB2 GLN 65 HB2 GLN 65 2.486 -10.555 -2.634 525 HB3 GLN 65 HB3 GLN 65 2.499 -11.429 -4.150 526 HG2 GLN 65 HG2 GLN 65 4.769 -10.102 -2.714 527 HG3 GLN 65 HG3 GLN 65 4.623 -11.742 -3.264 528 HE21 GLN 65 HE21 GLN 65 5.801 -8.597 -4.026 529 HE22 GLN 65 HE22 GLN 65 6.501 -9.060 -5.585 530 H TRP 66 H TRP 66 1.012 -8.465 -2.363 531 HA TRP 66 HA TRP 66 -1.610 -9.463 -2.781 532 HB2 TRP 66 HB2 TRP 66 -0.836 -8.617 -0.644 533 HB3 TRP 66 HB3 TRP 66 -0.606 -7.012 -1.298 534 HD1 TRP 66 HD1 TRP 66 -2.517 -5.366 -0.975 535 HE1 TRP 66 HE1 TRP 66 -4.903 -5.473 -0.041 536 HE3 TRP 66 HE3 TRP 66 -3.058 -10.460 -0.738 537 HZ2 TRP 66 HZ2 TRP 66 -6.852 -7.511 0.586 538 HZ3 TRP 66 HZ3 TRP 66 -5.185 -11.451 0.058 539 HH2 TRP 66 HH2 TRP 66 -7.081 -9.994 0.725 540 H ARG 67 H ARG 67 -0.393 -6.139 -3.593 541 HA ARG 67 HA ARG 67 -2.917 -5.417 -4.722 542 HB2 ARG 67 HB2 ARG 67 -2.083 -3.338 -5.164 543 HB3 ARG 67 HB3 ARG 67 -1.159 -3.850 -3.777 544 HG2 ARG 67 HG2 ARG 67 0.737 -3.359 -4.846 545 HG3 ARG 67 HG3 ARG 67 0.424 -4.563 -6.077 546 HD2 ARG 67 HD2 ARG 67 -0.504 -1.659 -6.105 547 HD3 ARG 67 HD3 ARG 67 0.815 -2.322 -7.051 548 HE ARG 67 HE ARG 67 -2.098 -2.657 -7.526 549 HH11 ARG 67 HH11 ARG 67 1.101 -3.655 -8.656 550 HH12 ARG 67 HH12 ARG 67 0.415 -4.232 -10.169 551 HH21 ARG 67 HH21 ARG 67 -2.812 -3.405 -9.361 552 HH22 ARG 67 HH22 ARG 67 -1.761 -4.126 -10.561 553 H LYS 68 H LYS 68 -0.090 -6.838 -6.339 554 HA LYS 68 HA LYS 68 -1.427 -6.542 -8.953 555 HB2 LYS 68 HB2 LYS 68 0.506 -7.300 -9.963 556 HB3 LYS 68 HB3 LYS 68 1.038 -6.295 -8.618 557 HG2 LYS 68 HG2 LYS 68 1.327 -8.518 -7.307 558 HG3 LYS 68 HG3 LYS 68 1.166 -9.317 -8.868 559 HD2 LYS 68 HD2 LYS 68 3.233 -7.169 -8.177 560 HD3 LYS 68 HD3 LYS 68 3.545 -8.909 -8.223 561 HE2 LYS 68 HE2 LYS 68 3.021 -8.999 -10.610 562 HE3 LYS 68 HE3 LYS 68 2.588 -7.280 -10.628 563 HZ1 LYS 68 HZ1 LYS 68 5.285 -8.268 -9.892 564 HZ2 LYS 68 HZ2 LYS 68 4.869 -6.715 -10.170 565 HZ3 LYS 68 HZ3 LYS 68 4.872 -7.796 -11.416 566 H SER 69 H SER 69 -1.681 -8.848 -6.463 567 HA SER 69 HA SER 69 -2.696 -10.934 -8.298 568 HB2 SER 69 HB2 SER 69 -2.577 -10.934 -5.274 569 HB3 SER 69 HB3 SER 69 -3.005 -12.304 -6.318 570 HG SER 69 HG SER 69 -0.561 -10.988 -5.901 571 H LEU 70 H LEU 70 -3.997 -8.135 -7.008 572 HA LEU 70 HA LEU 70 -6.796 -8.891 -6.807 573 HB2 LEU 70 HB2 LEU 70 -5.421 -6.245 -7.411 574 HB3 LEU 70 HB3 LEU 70 -7.136 -6.423 -7.082 575 HG LEU 70 HG LEU 70 -4.890 -6.938 -5.103 576 HD11 LEU 70 HD11 LEU 70 -6.990 -4.744 -5.243 577 HD12 LEU 70 HD12 LEU 70 -5.263 -4.557 -5.607 578 HD13 LEU 70 HD13 LEU 70 -5.778 -4.958 -3.959 579 HD21 LEU 70 HD21 LEU 70 -7.905 -7.019 -4.702 580 HD22 LEU 70 HD22 LEU 70 -6.680 -7.148 -3.419 581 HD23 LEU 70 HD23 LEU 70 -6.803 -8.413 -4.647 Start of MODEL 7 1 H GLN 1 H1 GLN 1 -41.957 -2.103 23.674 2 HA GLN 1 HA GLN 1 -41.426 -3.666 22.007 3 HB2 GLN 1 HB2 GLN 1 -42.584 -1.148 20.750 4 HB3 GLN 1 HB3 GLN 1 -42.618 -2.726 20.000 5 HG2 GLN 1 HG2 GLN 1 -43.926 -2.286 22.712 6 HG3 GLN 1 HG3 GLN 1 -44.721 -1.840 21.221 7 HE21 GLN 1 HE21 GLN 1 -45.774 -3.398 20.028 8 HE22 GLN 1 HE22 GLN 1 -45.778 -5.102 20.470 9 H GLU 2 H GLU 2 -40.275 -4.264 20.178 10 HA GLU 2 HA GLU 2 -38.361 -4.462 18.980 11 HB2 GLU 2 HB2 GLU 2 -39.235 -1.693 18.107 12 HB3 GLU 2 HB3 GLU 2 -38.046 -2.688 17.259 13 HG2 GLU 2 HG2 GLU 2 -39.738 -4.492 16.989 14 HG3 GLU 2 HG3 GLU 2 -40.950 -3.437 17.734 15 H SER 3 H SER 3 -37.809 -3.318 21.718 16 HA SER 3 HA SER 3 -35.297 -1.832 21.242 17 HB2 SER 3 HB2 SER 3 -35.157 -1.629 23.618 18 HB3 SER 3 HB3 SER 3 -36.781 -1.173 23.092 19 HG SER 3 HG SER 3 -36.437 -2.653 24.986 20 H PHE 4 H PHE 4 -33.265 -2.557 22.210 21 HA PHE 4 HA PHE 4 -31.522 -3.984 22.146 22 HB2 PHE 4 HB2 PHE 4 -32.691 -4.406 24.348 23 HB3 PHE 4 HB3 PHE 4 -33.408 -5.830 23.600 24 HD1 PHE 4 HD1 PHE 4 -29.875 -4.407 23.663 25 HD2 PHE 4 HD2 PHE 4 -32.457 -7.733 24.591 26 HE1 PHE 4 HE1 PHE 4 -27.920 -5.734 24.390 27 HE2 PHE 4 HE2 PHE 4 -30.495 -9.043 25.356 28 HZ PHE 4 HZ PHE 4 -28.215 -8.053 25.232 29 H LYS 5 H LYS 5 -33.165 -4.210 19.740 30 HA LYS 5 HA LYS 5 -32.917 -7.098 19.033 31 HB2 LYS 5 HB2 LYS 5 -34.415 -6.821 17.344 32 HB3 LYS 5 HB3 LYS 5 -35.061 -5.863 18.674 33 HG2 LYS 5 HG2 LYS 5 -34.327 -3.777 17.545 34 HG3 LYS 5 HG3 LYS 5 -33.553 -4.731 16.264 35 HD2 LYS 5 HD2 LYS 5 -35.801 -5.734 15.723 36 HD3 LYS 5 HD3 LYS 5 -36.541 -4.584 16.852 37 HE2 LYS 5 HE2 LYS 5 -35.722 -2.687 15.517 38 HE3 LYS 5 HE3 LYS 5 -34.772 -3.778 14.503 39 HZ1 LYS 5 HZ1 LYS 5 -36.672 -3.260 13.297 40 HZ2 LYS 5 HZ2 LYS 5 -37.735 -3.569 14.521 41 HZ3 LYS 5 HZ3 LYS 5 -36.913 -4.795 13.779 42 H LYS 6 H LYS 6 -31.494 -3.984 18.246 43 HA LYS 6 HA LYS 6 -29.533 -5.233 16.384 44 HB2 LYS 6 HB2 LYS 6 -29.932 -2.362 17.306 45 HB3 LYS 6 HB3 LYS 6 -28.572 -2.913 16.312 46 HG2 LYS 6 HG2 LYS 6 -30.238 -3.866 14.665 47 HG3 LYS 6 HG3 LYS 6 -31.525 -3.063 15.567 48 HD2 LYS 6 HD2 LYS 6 -29.150 -1.655 14.254 49 HD3 LYS 6 HD3 LYS 6 -30.752 -1.855 13.538 50 HE2 LYS 6 HE2 LYS 6 -31.711 -0.642 15.565 51 HE3 LYS 6 HE3 LYS 6 -30.050 -0.245 16.031 52 HZ1 LYS 6 HZ1 LYS 6 -31.355 0.468 13.458 53 HZ2 LYS 6 HZ2 LYS 6 -29.810 0.886 13.864 54 HZ3 LYS 6 HZ3 LYS 6 -31.086 1.516 14.690 55 H GLN 7 H GLN 7 -28.967 -6.773 17.987 56 HA GLN 7 HA GLN 7 -26.910 -5.781 19.918 57 HB2 GLN 7 HB2 GLN 7 -27.334 -7.728 21.294 58 HB3 GLN 7 HB3 GLN 7 -28.748 -6.695 21.142 59 HG2 GLN 7 HG2 GLN 7 -29.810 -8.258 19.591 60 HG3 GLN 7 HG3 GLN 7 -28.340 -9.242 19.503 61 HE21 GLN 7 HE21 GLN 7 -31.012 -8.251 21.675 62 HE22 GLN 7 HE22 GLN 7 -30.753 -9.581 22.794 63 H GLU 8 H GLU 8 -25.062 -7.046 20.299 64 HA GLU 8 HA GLU 8 -24.316 -9.172 18.425 65 HB2 GLU 8 HB2 GLU 8 -22.426 -7.990 17.460 66 HB3 GLU 8 HB3 GLU 8 -23.880 -7.040 17.156 67 HG2 GLU 8 HG2 GLU 8 -23.307 -5.552 19.077 68 HG3 GLU 8 HG3 GLU 8 -21.893 -6.545 19.406 69 H LYS 9 H LYS 9 -21.866 -9.746 18.846 70 HA LYS 9 HA LYS 9 -21.038 -9.109 21.669 71 HB2 LYS 9 HB2 LYS 9 -20.524 -11.719 20.196 72 HB3 LYS 9 HB3 LYS 9 -19.935 -11.270 21.803 73 HG2 LYS 9 HG2 LYS 9 -22.321 -11.080 22.585 74 HG3 LYS 9 HG3 LYS 9 -22.849 -11.665 20.993 75 HD2 LYS 9 HD2 LYS 9 -21.442 -13.737 21.375 76 HD3 LYS 9 HD3 LYS 9 -21.161 -13.167 23.035 77 HE2 LYS 9 HE2 LYS 9 -23.653 -13.098 23.375 78 HE3 LYS 9 HE3 LYS 9 -23.863 -13.766 21.746 79 HZ1 LYS 9 HZ1 LYS 9 -23.944 -15.551 23.312 80 HZ2 LYS 9 HZ2 LYS 9 -22.554 -15.096 24.052 81 HZ3 LYS 9 HZ3 LYS 9 -22.502 -15.701 22.532 82 H THR 10 H THR 10 -19.840 -10.055 18.450 83 HA THR 10 HA THR 10 -17.775 -9.901 17.487 84 HB THR 10 HB THR 10 -16.933 -7.617 17.128 85 HG1 THR 10 HG1 THR 10 -19.036 -6.272 18.011 86 HG21 THR 10 HG21 THR 10 -18.894 -6.829 15.906 87 HG22 THR 10 HG22 THR 10 -19.940 -7.957 16.794 88 HG23 THR 10 HG23 THR 10 -18.685 -8.575 15.699 89 HA PRO 11 HA PRO 11 -16.080 -10.275 21.693 90 HB2 PRO 11 HB2 PRO 11 -14.869 -12.856 20.706 91 HB3 PRO 11 HB3 PRO 11 -15.713 -12.520 22.251 92 HG2 PRO 11 HG2 PRO 11 -17.026 -13.782 20.259 93 HG3 PRO 11 HG3 PRO 11 -17.847 -12.454 21.148 94 HD2 PRO 11 HD2 PRO 11 -16.388 -12.320 18.486 95 HD3 PRO 11 HD3 PRO 11 -18.017 -11.732 18.893 96 H LYS 12 H LYS 12 -14.042 -10.333 18.857 97 HA LYS 12 HA LYS 12 -11.862 -9.097 20.419 98 HB2 LYS 12 HB2 LYS 12 -11.598 -11.724 20.240 99 HB3 LYS 12 HB3 LYS 12 -11.212 -11.428 18.562 100 HG2 LYS 12 HG2 LYS 12 -9.192 -11.664 19.871 101 HG3 LYS 12 HG3 LYS 12 -9.287 -10.028 19.229 102 HD2 LYS 12 HD2 LYS 12 -8.441 -10.186 21.583 103 HD3 LYS 12 HD3 LYS 12 -9.823 -9.116 21.381 104 HE2 LYS 12 HE2 LYS 12 -11.342 -10.849 22.264 105 HE3 LYS 12 HE3 LYS 12 -9.991 -11.979 22.426 106 HZ1 LYS 12 HZ1 LYS 12 -10.106 -9.368 23.841 107 HZ2 LYS 12 HZ2 LYS 12 -9.015 -10.582 24.067 108 HZ3 LYS 12 HZ3 LYS 12 -10.574 -10.800 24.526 109 H THR 13 H THR 13 -11.490 -7.241 19.385 110 HA THR 13 HA THR 13 -11.742 -7.115 16.404 111 HB THR 13 HB THR 13 -12.970 -4.909 16.808 112 HG1 THR 13 HG1 THR 13 -14.368 -5.268 18.743 113 HG21 THR 13 HG21 THR 13 -13.961 -7.001 15.875 114 HG22 THR 13 HG22 THR 13 -15.104 -6.019 16.796 115 HG23 THR 13 HG23 THR 13 -14.407 -7.486 17.524 116 HA PRO 14 HA PRO 14 -7.990 -4.639 17.263 117 HB2 PRO 14 HB2 PRO 14 -6.237 -5.934 15.653 118 HB3 PRO 14 HB3 PRO 14 -6.639 -6.519 17.292 119 HG2 PRO 14 HG2 PRO 14 -7.806 -7.456 14.655 120 HG3 PRO 14 HG3 PRO 14 -7.161 -8.454 15.987 121 HD2 PRO 14 HD2 PRO 14 -9.837 -7.907 15.675 122 HD3 PRO 14 HD3 PRO 14 -9.089 -8.135 17.282 123 H LYS 15 H LYS 15 -9.726 -3.288 16.206 124 HA LYS 15 HA LYS 15 -9.276 -2.704 13.333 125 HB2 LYS 15 HB2 LYS 15 -10.951 -1.356 15.487 126 HB3 LYS 15 HB3 LYS 15 -10.580 -0.572 13.960 127 HG2 LYS 15 HG2 LYS 15 -12.646 -1.489 13.543 128 HG3 LYS 15 HG3 LYS 15 -11.533 -2.614 12.764 129 HD2 LYS 15 HD2 LYS 15 -11.768 -4.154 14.735 130 HD3 LYS 15 HD3 LYS 15 -12.835 -2.965 15.499 131 HE2 LYS 15 HE2 LYS 15 -14.265 -4.603 14.561 132 HE3 LYS 15 HE3 LYS 15 -14.395 -3.188 13.510 133 HZ1 LYS 15 HZ1 LYS 15 -14.145 -5.392 12.382 134 HZ2 LYS 15 HZ2 LYS 15 -12.598 -5.485 12.929 135 HZ3 LYS 15 HZ3 LYS 15 -13.035 -4.284 11.890 136 H GLY 16 H GLY 16 -8.332 -0.832 12.579 137 HA2 GLY 16 HA2 GLY 16 -6.523 0.497 12.277 138 HA3 GLY 16 HA3 GLY 16 -6.972 1.213 13.817 139 HA PRO 17 HA PRO 17 -3.829 -2.044 15.405 140 HB2 PRO 17 HB2 PRO 17 -2.664 -3.271 12.910 141 HB3 PRO 17 HB3 PRO 17 -3.003 -4.031 14.490 142 HG2 PRO 17 HG2 PRO 17 -4.667 -4.442 12.412 143 HG3 PRO 17 HG3 PRO 17 -5.334 -4.115 14.050 144 HD2 PRO 17 HD2 PRO 17 -4.957 -2.183 11.751 145 HD3 PRO 17 HD3 PRO 17 -6.387 -2.469 12.755 146 H SER 18 H SER 18 -1.375 -2.371 15.500 147 HA SER 18 HA SER 18 0.086 0.030 14.550 148 HB2 SER 18 HB2 SER 18 1.753 -0.618 16.213 149 HB3 SER 18 HB3 SER 18 0.144 -0.461 16.930 150 HG SER 18 HG SER 18 1.740 -2.504 17.099 151 H SER 19 H SER 19 -0.435 -2.852 13.150 152 HA SER 19 HA SER 19 2.385 -3.375 12.282 153 HB2 SER 19 HB2 SER 19 0.130 -5.389 12.469 154 HB3 SER 19 HB3 SER 19 1.869 -5.697 12.279 155 HG SER 19 HG SER 19 2.179 -4.845 14.368 156 H VAL 20 H VAL 20 2.335 -4.871 10.166 157 HA VAL 20 HA VAL 20 1.596 -3.218 8.039 158 HB VAL 20 HB VAL 20 1.725 -6.196 7.577 159 HG11 VAL 20 HG11 VAL 20 2.975 -3.834 6.093 160 HG12 VAL 20 HG12 VAL 20 2.870 -5.525 5.541 161 HG13 VAL 20 HG13 VAL 20 1.413 -4.547 5.672 162 HG21 VAL 20 HG21 VAL 20 4.197 -6.086 7.516 163 HG22 VAL 20 HG22 VAL 20 4.138 -4.474 8.258 164 HG23 VAL 20 HG23 VAL 20 3.563 -5.906 9.146 165 H GLU 21 H GLU 21 -0.349 -5.862 9.442 166 HA GLU 21 HA GLU 21 -2.424 -5.927 7.500 167 HB2 GLU 21 HB2 GLU 21 -2.331 -6.520 10.467 168 HB3 GLU 21 HB3 GLU 21 -3.822 -6.692 9.517 169 HG2 GLU 21 HG2 GLU 21 -2.816 -8.274 8.017 170 HG3 GLU 21 HG3 GLU 21 -1.222 -8.029 8.723 171 H ASP 22 H ASP 22 -1.735 -3.328 9.745 172 HA ASP 22 HA ASP 22 -4.388 -2.179 9.753 173 HB2 ASP 22 HB2 ASP 22 -2.670 -1.534 11.417 174 HB3 ASP 22 HB3 ASP 22 -1.659 -0.870 10.134 175 H ILE 23 H ILE 23 -1.433 -1.379 7.903 176 HA ILE 23 HA ILE 23 -2.833 0.475 6.194 177 HB ILE 23 HB ILE 23 -0.501 0.792 6.659 178 HG12 ILE 23 HG12 ILE 23 -0.844 0.192 3.696 179 HG13 ILE 23 HG13 ILE 23 -1.610 1.555 4.506 180 HG21 ILE 23 HG21 ILE 23 0.305 -1.516 6.848 181 HG22 ILE 23 HG22 ILE 23 0.063 -1.789 5.114 182 HG23 ILE 23 HG23 ILE 23 1.285 -0.641 5.689 183 HD11 ILE 23 HD11 ILE 23 1.409 1.156 4.410 184 HD12 ILE 23 HD12 ILE 23 0.465 2.186 3.316 185 HD13 ILE 23 HD13 ILE 23 0.519 2.556 5.037 186 H LYS 24 H LYS 24 -2.007 -2.992 5.845 187 HA LYS 24 HA LYS 24 -2.925 -3.259 3.126 188 HB2 LYS 24 HB2 LYS 24 -2.844 -5.231 5.445 189 HB3 LYS 24 HB3 LYS 24 -3.315 -5.683 3.800 190 HG2 LYS 24 HG2 LYS 24 -1.175 -5.112 2.898 191 HG3 LYS 24 HG3 LYS 24 -0.686 -4.310 4.392 192 HD2 LYS 24 HD2 LYS 24 0.480 -6.416 4.154 193 HD3 LYS 24 HD3 LYS 24 -0.578 -6.444 5.569 194 HE2 LYS 24 HE2 LYS 24 -2.226 -7.802 4.353 195 HE3 LYS 24 HE3 LYS 24 -1.323 -7.609 2.845 196 HZ1 LYS 24 HZ1 LYS 24 0.480 -8.933 3.778 197 HZ2 LYS 24 HZ2 LYS 24 -0.927 -9.770 3.948 198 HZ3 LYS 24 HZ3 LYS 24 -0.259 -9.001 5.235 199 H ALA 25 H ALA 25 -4.793 -3.842 6.179 200 HA ALA 25 HA ALA 25 -7.243 -4.189 4.838 201 HB1 ALA 25 HB1 ALA 25 -6.703 -3.187 7.661 202 HB2 ALA 25 HB2 ALA 25 -8.215 -3.927 7.072 203 HB3 ALA 25 HB3 ALA 25 -6.720 -4.886 7.139 204 H LYS 26 H LYS 26 -5.779 -1.122 5.975 205 HA LYS 26 HA LYS 26 -8.139 0.477 5.327 206 HB2 LYS 26 HB2 LYS 26 -5.294 1.100 6.121 207 HB3 LYS 26 HB3 LYS 26 -6.413 2.385 5.636 208 HG2 LYS 26 HG2 LYS 26 -7.857 2.027 7.487 209 HG3 LYS 26 HG3 LYS 26 -7.286 0.387 7.730 210 HD2 LYS 26 HD2 LYS 26 -6.536 1.951 9.487 211 HD3 LYS 26 HD3 LYS 26 -5.220 1.137 8.634 212 HE2 LYS 26 HE2 LYS 26 -4.791 3.144 7.287 213 HE3 LYS 26 HE3 LYS 26 -6.083 4.004 8.153 214 HZ1 LYS 26 HZ1 LYS 26 -4.862 3.857 10.149 215 HZ2 LYS 26 HZ2 LYS 26 -3.703 4.255 9.039 216 HZ3 LYS 26 HZ3 LYS 26 -3.821 2.720 9.577 217 H MET 27 H MET 27 -5.188 -0.354 3.476 218 HA MET 27 HA MET 27 -5.822 1.335 1.217 219 HB2 MET 27 HB2 MET 27 -4.143 -1.177 1.489 220 HB3 MET 27 HB3 MET 27 -4.344 -0.311 -0.036 221 HG2 MET 27 HG2 MET 27 -3.281 0.983 2.500 222 HG3 MET 27 HG3 MET 27 -2.271 0.291 1.233 223 HE1 MET 27 HE1 MET 27 -1.629 4.113 0.874 224 HE2 MET 27 HE2 MET 27 -1.982 3.265 2.394 225 HE3 MET 27 HE3 MET 27 -0.927 2.509 1.176 226 H GLN 28 H GLN 28 -6.511 -2.178 1.804 227 HA GLN 28 HA GLN 28 -8.110 -2.519 -0.532 228 HB2 GLN 28 HB2 GLN 28 -7.884 -3.927 2.119 229 HB3 GLN 28 HB3 GLN 28 -9.281 -4.277 1.122 230 HG2 GLN 28 HG2 GLN 28 -7.446 -5.871 0.664 231 HG3 GLN 28 HG3 GLN 28 -7.994 -4.981 -0.752 232 HE21 GLN 28 HE21 GLN 28 -5.338 -5.039 1.701 233 HE22 GLN 28 HE22 GLN 28 -4.209 -4.267 0.563 234 H ALA 29 H ALA 29 -9.087 -1.326 2.711 235 HA ALA 29 HA ALA 29 -11.829 -1.054 2.173 236 HB1 ALA 29 HB1 ALA 29 -9.992 0.530 4.000 237 HB2 ALA 29 HB2 ALA 29 -11.756 0.585 4.067 238 HB3 ALA 29 HB3 ALA 29 -10.909 -0.927 4.395 239 H SER 30 H SER 30 -9.192 1.334 1.517 240 HA SER 30 HA SER 30 -11.020 3.300 0.410 241 HB2 SER 30 HB2 SER 30 -8.019 2.973 0.387 242 HB3 SER 30 HB3 SER 30 -8.817 4.207 -0.611 243 HG SER 30 HG SER 30 -9.657 5.175 1.124 244 H ILE 31 H ILE 31 -9.353 0.508 -1.033 245 HA ILE 31 HA ILE 31 -9.987 1.218 -3.769 246 HB ILE 31 HB ILE 31 -9.336 -1.447 -2.485 247 HG12 ILE 31 HG12 ILE 31 -7.648 0.346 -4.296 248 HG13 ILE 31 HG13 ILE 31 -7.598 0.449 -2.543 249 HG21 ILE 31 HG21 ILE 31 -9.594 -0.746 -5.449 250 HG22 ILE 31 HG22 ILE 31 -8.927 -2.261 -4.814 251 HG23 ILE 31 HG23 ILE 31 -10.618 -1.882 -4.543 252 HD11 ILE 31 HD11 ILE 31 -6.957 -1.964 -2.429 253 HD12 ILE 31 HD12 ILE 31 -6.784 -1.957 -4.201 254 HD13 ILE 31 HD13 ILE 31 -5.759 -0.910 -3.205 255 H GLU 32 H GLU 32 -11.794 -0.713 -1.315 256 HA GLU 32 HA GLU 32 -14.028 -1.040 -3.171 257 HB2 GLU 32 HB2 GLU 32 -15.262 -2.020 -1.318 258 HB3 GLU 32 HB3 GLU 32 -13.700 -2.765 -1.637 259 HG2 GLU 32 HG2 GLU 32 -12.743 -1.398 0.237 260 HG3 GLU 32 HG3 GLU 32 -14.376 -0.857 0.633 261 H LYS 33 H LYS 33 -13.099 1.611 -1.158 262 HA LYS 33 HA LYS 33 -15.687 3.001 -1.614 263 HB2 LYS 33 HB2 LYS 33 -13.008 3.911 -0.526 264 HB3 LYS 33 HB3 LYS 33 -14.390 4.994 -0.730 265 HG2 LYS 33 HG2 LYS 33 -14.438 2.475 0.955 266 HG3 LYS 33 HG3 LYS 33 -14.027 4.075 1.581 267 HD2 LYS 33 HD2 LYS 33 -16.307 4.871 0.923 268 HD3 LYS 33 HD3 LYS 33 -16.723 3.213 0.428 269 HE2 LYS 33 HE2 LYS 33 -16.305 2.364 2.677 270 HE3 LYS 33 HE3 LYS 33 -15.639 3.919 3.183 271 HZ1 LYS 33 HZ1 LYS 33 -18.502 3.497 2.485 272 HZ2 LYS 33 HZ2 LYS 33 -17.817 4.912 2.906 273 HZ3 LYS 33 HZ3 LYS 33 -17.871 3.676 3.979 274 H GLY 34 H GLY 34 -12.923 2.372 -3.523 275 HA2 GLY 34 HA2 GLY 34 -13.842 2.921 -5.908 276 HA3 GLY 34 HA3 GLY 34 -13.538 4.588 -5.421 277 H GLY 35 H GLY 35 -11.026 3.741 -3.916 278 HA2 GLY 35 HA2 GLY 35 -8.888 2.682 -5.011 279 HA3 GLY 35 HA3 GLY 35 -9.234 3.825 -6.306 280 H SER 36 H SER 36 -6.831 3.883 -4.954 281 HA SER 36 HA SER 36 -6.735 6.694 -4.275 282 HB2 SER 36 HB2 SER 36 -6.266 4.703 -2.021 283 HB3 SER 36 HB3 SER 36 -5.570 6.329 -1.997 284 HG SER 36 HG SER 36 -8.286 6.059 -2.576 285 H LEU 37 H LEU 37 -5.151 3.902 -5.410 286 HA LEU 37 HA LEU 37 -2.449 4.843 -4.671 287 HB2 LEU 37 HB2 LEU 37 -3.497 2.216 -5.779 288 HB3 LEU 37 HB3 LEU 37 -1.800 2.571 -5.624 289 HG LEU 37 HG LEU 37 -2.465 1.151 -3.855 290 HD11 LEU 37 HD11 LEU 37 -2.016 3.913 -2.674 291 HD12 LEU 37 HD12 LEU 37 -0.744 2.878 -3.375 292 HD13 LEU 37 HD13 LEU 37 -1.627 2.347 -1.938 293 HD21 LEU 37 HD21 LEU 37 -4.882 1.830 -3.725 294 HD22 LEU 37 HD22 LEU 37 -4.367 3.237 -2.756 295 HD23 LEU 37 HD23 LEU 37 -4.069 1.594 -2.171 296 HA PRO 38 HA PRO 38 -1.467 5.748 -9.015 297 HB2 PRO 38 HB2 PRO 38 1.173 6.173 -8.852 298 HB3 PRO 38 HB3 PRO 38 0.022 7.245 -7.995 299 HG2 PRO 38 HG2 PRO 38 1.539 4.877 -6.877 300 HG3 PRO 38 HG3 PRO 38 1.469 6.545 -6.209 301 HD2 PRO 38 HD2 PRO 38 -0.178 4.498 -5.356 302 HD3 PRO 38 HD3 PRO 38 -0.694 6.212 -5.372 303 H LYS 39 H LYS 39 0.292 4.849 -10.635 304 HA LYS 39 HA LYS 39 0.089 1.909 -10.566 305 HB2 LYS 39 HB2 LYS 39 -0.527 3.388 -12.519 306 HB3 LYS 39 HB3 LYS 39 1.181 3.669 -12.805 307 HG2 LYS 39 HG2 LYS 39 0.111 0.835 -12.590 308 HG3 LYS 39 HG3 LYS 39 -0.198 1.767 -14.051 309 HD2 LYS 39 HD2 LYS 39 2.157 2.012 -14.528 310 HD3 LYS 39 HD3 LYS 39 2.606 1.258 -12.983 311 HE2 LYS 39 HE2 LYS 39 1.522 -0.838 -13.637 312 HE3 LYS 39 HE3 LYS 39 0.988 -0.132 -15.169 313 HZ1 LYS 39 HZ1 LYS 39 3.200 0.001 -15.907 314 HZ2 LYS 39 HZ2 LYS 39 3.091 -1.495 -15.265 315 HZ3 LYS 39 HZ3 LYS 39 3.854 -0.289 -14.428 316 H VAL 40 H VAL 40 2.755 4.220 -10.995 317 HA VAL 40 HA VAL 40 4.658 2.089 -11.309 318 HB VAL 40 HB VAL 40 5.300 5.047 -11.131 319 HG11 VAL 40 HG11 VAL 40 7.061 4.373 -12.785 320 HG12 VAL 40 HG12 VAL 40 7.277 3.591 -11.223 321 HG13 VAL 40 HG13 VAL 40 6.574 2.693 -12.587 322 HG21 VAL 40 HG21 VAL 40 4.277 3.475 -13.531 323 HG22 VAL 40 HG22 VAL 40 3.491 4.878 -12.763 324 HG23 VAL 40 HG23 VAL 40 5.015 5.086 -13.610 325 H GLU 41 H GLU 41 6.504 1.546 -10.143 326 HA GLU 41 HA GLU 41 5.843 1.107 -7.530 327 HB2 GLU 41 HB2 GLU 41 7.972 -0.022 -7.229 328 HB3 GLU 41 HB3 GLU 41 7.147 -0.430 -8.700 329 HG2 GLU 41 HG2 GLU 41 9.297 -0.355 -9.440 330 HG3 GLU 41 HG3 GLU 41 8.714 1.230 -9.916 331 H ALA 42 H ALA 42 8.447 3.546 -8.354 332 HA ALA 42 HA ALA 42 8.963 3.917 -5.548 333 HB1 ALA 42 HB1 ALA 42 10.649 4.402 -7.196 334 HB2 ALA 42 HB2 ALA 42 9.662 5.681 -7.913 335 HB3 ALA 42 HB3 ALA 42 10.287 5.864 -6.265 336 H LYS 43 H LYS 43 6.689 5.605 -7.746 337 HA LYS 43 HA LYS 43 5.914 7.469 -5.630 338 HB2 LYS 43 HB2 LYS 43 4.191 8.261 -7.111 339 HB3 LYS 43 HB3 LYS 43 5.774 8.212 -7.871 340 HG2 LYS 43 HG2 LYS 43 5.123 6.222 -9.167 341 HG3 LYS 43 HG3 LYS 43 3.581 6.132 -8.304 342 HD2 LYS 43 HD2 LYS 43 3.175 7.152 -10.465 343 HD3 LYS 43 HD3 LYS 43 2.957 8.368 -9.203 344 HE2 LYS 43 HE2 LYS 43 5.463 8.983 -9.687 345 HE3 LYS 43 HE3 LYS 43 5.258 8.058 -11.177 346 HZ1 LYS 43 HZ1 LYS 43 4.813 10.459 -11.393 347 HZ2 LYS 43 HZ2 LYS 43 3.577 10.367 -10.332 348 HZ3 LYS 43 HZ3 LYS 43 3.468 9.603 -11.794 349 H PHE 44 H PHE 44 4.661 4.317 -6.663 350 HA PHE 44 HA PHE 44 2.392 4.228 -4.886 351 HB2 PHE 44 HB2 PHE 44 2.798 2.636 -6.723 352 HB3 PHE 44 HB3 PHE 44 4.238 2.042 -5.930 353 HD1 PHE 44 HD2 PHE 44 4.048 0.751 -3.748 354 HD2 PHE 44 HD1 PHE 44 0.636 1.756 -6.185 355 HE1 PHE 44 HE2 PHE 44 2.720 -1.017 -2.619 356 HE2 PHE 44 HE1 PHE 44 -0.679 -0.020 -5.068 357 HZ PHE 44 HZ PHE 44 0.351 -1.403 -3.276 358 H ILE 45 H ILE 45 5.805 3.218 -4.449 359 HA ILE 45 HA ILE 45 5.657 2.473 -1.718 360 HB ILE 45 HB ILE 45 7.913 3.376 -3.529 361 HG12 ILE 45 HG12 ILE 45 7.315 0.655 -2.284 362 HG13 ILE 45 HG13 ILE 45 6.673 1.131 -3.838 363 HG21 ILE 45 HG21 ILE 45 8.166 2.395 -0.658 364 HG22 ILE 45 HG22 ILE 45 9.513 2.524 -1.804 365 HG23 ILE 45 HG23 ILE 45 8.679 3.979 -1.315 366 HD11 ILE 45 HD11 ILE 45 9.609 0.743 -3.154 367 HD12 ILE 45 HD12 ILE 45 8.603 -0.190 -4.268 368 HD13 ILE 45 HD13 ILE 45 9.034 1.480 -4.670 369 H ASN 46 H ASN 46 6.585 5.729 -3.085 370 HA ASN 46 HA ASN 46 6.821 7.012 -0.575 371 HB2 ASN 46 HB2 ASN 46 7.511 8.226 -2.499 372 HB3 ASN 46 HB3 ASN 46 5.938 8.054 -3.287 373 HD21 ASN 46 HD21 ASN 46 4.419 9.705 -2.961 374 HD22 ASN 46 HD22 ASN 46 4.446 10.775 -1.566 375 H TYR 47 H TYR 47 3.771 6.506 -2.476 376 HA TYR 47 HA TYR 47 2.219 8.069 -0.621 377 HB2 TYR 47 HB2 TYR 47 1.608 7.767 -2.925 378 HB3 TYR 47 HB3 TYR 47 1.343 6.033 -2.685 379 HD1 TYR 47 HD1 TYR 47 -0.566 5.253 -1.210 380 HD2 TYR 47 HD2 TYR 47 -0.047 9.403 -2.275 381 HE1 TYR 47 HE1 TYR 47 -2.867 5.752 -0.399 382 HE2 TYR 47 HE2 TYR 47 -2.354 9.889 -1.470 383 HH TYR 47 HH TYR 47 -4.390 7.377 0.077 384 H VAL 48 H VAL 48 2.769 4.538 -0.869 385 HA VAL 48 HA VAL 48 1.297 3.655 1.422 386 HB VAL 48 HB VAL 48 3.856 2.719 0.078 387 HG11 VAL 48 HG11 VAL 48 2.435 1.262 2.334 388 HG12 VAL 48 HG12 VAL 48 3.757 0.630 1.337 389 HG13 VAL 48 HG13 VAL 48 4.057 1.976 2.433 390 HG21 VAL 48 HG21 VAL 48 1.694 2.407 -1.133 391 HG22 VAL 48 HG22 VAL 48 2.445 0.874 -0.688 392 HG23 VAL 48 HG23 VAL 48 1.069 1.488 0.250 393 H LYS 49 H LYS 49 4.683 4.857 1.245 394 HA LYS 49 HA LYS 49 5.118 4.750 4.087 395 HB2 LYS 49 HB2 LYS 49 6.543 6.186 1.811 396 HB3 LYS 49 HB3 LYS 49 7.143 6.151 3.473 397 HG2 LYS 49 HG2 LYS 49 7.414 3.774 3.458 398 HG3 LYS 49 HG3 LYS 49 6.516 3.584 1.971 399 HD2 LYS 49 HD2 LYS 49 8.792 3.287 1.437 400 HD3 LYS 49 HD3 LYS 49 8.277 4.830 0.731 401 HE2 LYS 49 HE2 LYS 49 9.411 6.059 2.528 402 HE3 LYS 49 HE3 LYS 49 9.824 4.530 3.325 403 HZ1 LYS 49 HZ1 LYS 49 10.827 5.427 0.686 404 HZ2 LYS 49 HZ2 LYS 49 11.078 3.924 1.309 405 HZ3 LYS 49 HZ3 LYS 49 11.708 5.218 2.072 406 H ASN 50 H ASN 50 3.627 7.230 2.137 407 HA ASN 50 HA ASN 50 3.562 9.275 4.218 408 HB2 ASN 50 HB2 ASN 50 3.163 10.247 2.181 409 HB3 ASN 50 HB3 ASN 50 2.383 8.838 1.501 410 HD21 ASN 50 HD21 ASN 50 0.105 8.499 1.810 411 HD22 ASN 50 HD22 ASN 50 -0.902 9.775 2.474 412 H CYS 51 H CYS 51 1.320 6.625 3.238 413 HA CYS 51 HA CYS 51 -0.676 7.320 5.205 414 HB2 CYS 51 HB2 CYS 51 -0.154 4.776 3.609 415 HB3 CYS 51 HB3 CYS 51 -1.593 5.052 4.616 416 HG CYS 51 HG CYS 51 -2.500 7.116 3.407 417 H PHE 52 H PHE 52 1.767 4.659 5.154 418 HA PHE 52 HA PHE 52 2.134 4.952 8.026 419 HB2 PHE 52 HB2 PHE 52 0.171 3.289 7.575 420 HB3 PHE 52 HB3 PHE 52 1.428 2.176 7.071 421 HD1 PHE 52 HD1 PHE 52 3.316 3.490 9.559 422 HD2 PHE 52 HD2 PHE 52 -0.514 1.539 9.141 423 HE1 PHE 52 HE1 PHE 52 3.463 2.704 11.876 424 HE2 PHE 52 HE2 PHE 52 -0.345 0.742 11.480 425 HZ PHE 52 HZ PHE 52 1.645 1.327 12.856 426 H ARG 53 H ARG 53 4.265 5.093 8.155 427 HA ARG 53 HA ARG 53 6.189 4.001 6.296 428 HB2 ARG 53 HB2 ARG 53 6.664 5.944 7.570 429 HB3 ARG 53 HB3 ARG 53 6.317 5.141 9.108 430 HG2 ARG 53 HG2 ARG 53 8.302 3.805 8.973 431 HG3 ARG 53 HG3 ARG 53 8.570 4.236 7.300 432 HD2 ARG 53 HD2 ARG 53 10.143 5.420 8.680 433 HD3 ARG 53 HD3 ARG 53 9.058 6.559 7.882 434 HE ARG 53 HE ARG 53 9.215 5.896 10.768 435 HH11 ARG 53 HH11 ARG 53 7.459 7.880 8.335 436 HH12 ARG 53 HH12 ARG 53 6.977 8.954 9.635 437 HH21 ARG 53 HH21 ARG 53 8.517 7.391 12.161 438 HH22 ARG 53 HH22 ARG 53 7.495 8.727 11.600 439 H MET 54 H MET 54 7.216 2.096 6.229 440 HA MET 54 HA MET 54 6.570 0.031 8.316 441 HB2 MET 54 HB2 MET 54 6.095 -0.048 5.327 442 HB3 MET 54 HB3 MET 54 6.335 -1.541 6.244 443 HG2 MET 54 HG2 MET 54 4.262 0.543 7.001 444 HG3 MET 54 HG3 MET 54 3.922 -0.836 5.960 445 HE1 MET 54 HE1 MET 54 2.027 -0.550 8.251 446 HE2 MET 54 HE2 MET 54 2.493 -1.158 9.857 447 HE3 MET 54 HE3 MET 54 3.172 0.366 9.255 448 H THR 55 H THR 55 8.911 1.176 6.015 449 HA THR 55 HA THR 55 10.984 0.773 5.509 450 HB THR 55 HB THR 55 11.067 1.706 7.747 451 HG1 THR 55 HG1 THR 55 12.950 1.923 7.127 452 HG21 THR 55 HG21 THR 55 11.773 -1.118 8.579 453 HG22 THR 55 HG22 THR 55 10.467 -0.082 9.198 454 HG23 THR 55 HG23 THR 55 12.140 0.346 9.530 455 H ASP 56 H ASP 56 9.712 -2.237 6.823 456 HA ASP 56 HA ASP 56 11.742 -3.959 5.636 457 HB2 ASP 56 HB2 ASP 56 8.821 -4.410 6.363 458 HB3 ASP 56 HB3 ASP 56 9.884 -5.668 5.764 459 H GLN 57 H GLN 57 12.167 -3.773 3.445 460 HA GLN 57 HA GLN 57 10.238 -3.161 1.416 461 HB2 GLN 57 HB2 GLN 57 12.647 -2.879 1.123 462 HB3 GLN 57 HB3 GLN 57 12.884 -4.620 1.291 463 HG2 GLN 57 HG2 GLN 57 13.043 -3.991 -1.042 464 HG3 GLN 57 HG3 GLN 57 11.635 -5.011 -0.793 465 HE21 GLN 57 HE21 GLN 57 9.523 -4.083 -0.940 466 HE22 GLN 57 HE22 GLN 57 9.355 -2.698 -2.021 467 H GLU 58 H GLU 58 11.170 -6.176 2.973 468 HA GLU 58 HA GLU 58 9.796 -8.189 1.579 469 HB2 GLU 58 HB2 GLU 58 11.228 -8.550 3.545 470 HB3 GLU 58 HB3 GLU 58 10.162 -7.582 4.536 471 HG2 GLU 58 HG2 GLU 58 9.775 -9.764 5.206 472 HG3 GLU 58 HG3 GLU 58 8.361 -9.325 4.273 473 H ALA 59 H ALA 59 8.438 -5.922 4.036 474 HA ALA 59 HA ALA 59 5.749 -7.031 3.750 475 HB1 ALA 59 HB1 ALA 59 6.749 -4.582 5.251 476 HB2 ALA 59 HB2 ALA 59 5.139 -5.311 5.368 477 HB3 ALA 59 HB3 ALA 59 6.560 -6.225 5.926 478 H ILE 60 H ILE 60 7.497 -4.158 2.558 479 HA ILE 60 HA ILE 60 5.241 -2.805 1.403 480 HB ILE 60 HB ILE 60 8.193 -2.855 0.752 481 HG12 ILE 60 HG12 ILE 60 6.539 -0.673 2.083 482 HG13 ILE 60 HG13 ILE 60 7.404 -1.917 2.974 483 HG21 ILE 60 HG21 ILE 60 7.868 -0.818 -0.607 484 HG22 ILE 60 HG22 ILE 60 6.991 -2.159 -1.313 485 HG23 ILE 60 HG23 ILE 60 6.105 -0.932 -0.379 486 HD11 ILE 60 HD11 ILE 60 8.791 0.028 2.970 487 HD12 ILE 60 HD12 ILE 60 9.553 -1.162 1.897 488 HD13 ILE 60 HD13 ILE 60 8.664 0.217 1.214 489 H GLN 61 H GLN 61 7.420 -5.342 0.024 490 HA GLN 61 HA GLN 61 5.822 -5.399 -2.418 491 HB2 GLN 61 HB2 GLN 61 7.313 -6.983 -3.278 492 HB3 GLN 61 HB3 GLN 61 8.228 -5.737 -2.454 493 HG2 GLN 61 HG2 GLN 61 9.346 -7.683 -1.846 494 HG3 GLN 61 HG3 GLN 61 8.342 -7.357 -0.444 495 HE21 GLN 61 HE21 GLN 61 7.332 -9.201 0.352 496 HE22 GLN 61 HE22 GLN 61 6.913 -10.585 -0.678 497 H ASP 62 H ASP 62 5.672 -7.211 0.635 498 HA ASP 62 HA ASP 62 3.744 -9.170 -0.260 499 HB2 ASP 62 HB2 ASP 62 5.000 -9.317 1.873 500 HB3 ASP 62 HB3 ASP 62 4.150 -7.895 2.475 501 H LEU 63 H LEU 63 3.408 -5.843 1.037 502 HA LEU 63 HA LEU 63 0.587 -5.645 0.952 503 HB2 LEU 63 HB2 LEU 63 2.279 -4.185 2.082 504 HB3 LEU 63 HB3 LEU 63 2.652 -3.451 0.532 505 HG LEU 63 HG LEU 63 -0.024 -3.324 1.984 506 HD11 LEU 63 HD11 LEU 63 1.785 -2.121 3.131 507 HD12 LEU 63 HD12 LEU 63 0.636 -0.981 2.414 508 HD13 LEU 63 HD13 LEU 63 2.197 -1.277 1.623 509 HD21 LEU 63 HD21 LEU 63 -0.479 -2.976 -0.380 510 HD22 LEU 63 HD22 LEU 63 0.938 -1.909 -0.546 511 HD23 LEU 63 HD23 LEU 63 -0.479 -1.404 0.400 512 H TRP 64 H TRP 64 3.069 -4.858 -1.544 513 HA TRP 64 HA TRP 64 1.298 -4.140 -3.657 514 HB2 TRP 64 HB2 TRP 64 3.866 -3.935 -3.441 515 HB3 TRP 64 HB3 TRP 64 3.936 -5.575 -4.049 516 HD1 TRP 64 HD1 TRP 64 3.900 -2.076 -5.088 517 HE1 TRP 64 HE1 TRP 64 3.840 -1.831 -7.643 518 HE3 TRP 64 HE3 TRP 64 2.537 -6.871 -6.345 519 HZ2 TRP 64 HZ2 TRP 64 3.172 -3.457 -9.908 520 HZ3 TRP 64 HZ3 TRP 64 2.228 -7.490 -8.720 521 HH2 TRP 64 HH2 TRP 64 2.513 -5.792 -10.512 522 H GLN 65 H GLN 65 2.575 -7.424 -2.786 523 HA GLN 65 HA GLN 65 1.119 -8.780 -4.874 524 HB2 GLN 65 HB2 GLN 65 2.076 -9.856 -2.194 525 HB3 GLN 65 HB3 GLN 65 1.441 -10.812 -3.519 526 HG2 GLN 65 HG2 GLN 65 4.153 -9.823 -3.094 527 HG3 GLN 65 HG3 GLN 65 3.573 -11.175 -4.027 528 HE21 GLN 65 HE21 GLN 65 4.771 -7.961 -4.173 529 HE22 GLN 65 HE22 GLN 65 4.726 -7.831 -5.942 530 H TRP 66 H TRP 66 0.163 -7.816 -1.566 531 HA TRP 66 HA TRP 66 -2.365 -9.113 -1.525 532 HB2 TRP 66 HB2 TRP 66 -0.931 -7.331 0.137 533 HB3 TRP 66 HB3 TRP 66 -2.409 -6.476 -0.245 534 HD1 TRP 66 HD1 TRP 66 -4.505 -7.193 1.097 535 HE1 TRP 66 HE1 TRP 66 -5.063 -9.020 2.792 536 HE3 TRP 66 HE3 TRP 66 -0.231 -9.980 0.675 537 HZ2 TRP 66 HZ2 TRP 66 -3.878 -11.508 3.711 538 HZ3 TRP 66 HZ3 TRP 66 0.016 -12.092 1.957 539 HH2 TRP 66 HH2 TRP 66 -1.799 -12.868 3.468 540 H ARG 67 H ARG 67 -1.462 -5.904 -2.819 541 HA ARG 67 HA ARG 67 -4.118 -5.245 -3.778 542 HB2 ARG 67 HB2 ARG 67 -2.173 -3.706 -3.198 543 HB3 ARG 67 HB3 ARG 67 -1.444 -4.130 -4.733 544 HG2 ARG 67 HG2 ARG 67 -4.180 -2.810 -4.337 545 HG3 ARG 67 HG3 ARG 67 -2.683 -1.952 -4.669 546 HD2 ARG 67 HD2 ARG 67 -4.223 -3.753 -6.551 547 HD3 ARG 67 HD3 ARG 67 -3.906 -2.033 -6.705 548 HE ARG 67 HE ARG 67 -1.372 -2.893 -6.731 549 HH11 ARG 67 HH11 ARG 67 -4.060 -4.163 -8.640 550 HH12 ARG 67 HH12 ARG 67 -2.953 -4.840 -9.810 551 HH21 ARG 67 HH21 ARG 67 -0.123 -3.746 -8.173 552 HH22 ARG 67 HH22 ARG 67 -0.771 -4.587 -9.583 553 H LYS 68 H LYS 68 -1.310 -6.807 -5.369 554 HA LYS 68 HA LYS 68 -2.631 -7.237 -7.895 555 HB2 LYS 68 HB2 LYS 68 -0.161 -7.421 -7.488 556 HB3 LYS 68 HB3 LYS 68 -0.448 -8.888 -6.554 557 HG2 LYS 68 HG2 LYS 68 0.308 -9.521 -8.740 558 HG3 LYS 68 HG3 LYS 68 -1.375 -9.992 -8.589 559 HD2 LYS 68 HD2 LYS 68 -1.974 -7.826 -9.863 560 HD3 LYS 68 HD3 LYS 68 -0.235 -7.597 -10.074 561 HE2 LYS 68 HE2 LYS 68 -1.003 -8.569 -12.080 562 HE3 LYS 68 HE3 LYS 68 -0.162 -9.860 -11.225 563 HZ1 LYS 68 HZ1 LYS 68 -2.282 -10.570 -12.163 564 HZ2 LYS 68 HZ2 LYS 68 -3.122 -9.479 -11.247 565 HZ3 LYS 68 HZ3 LYS 68 -2.311 -10.742 -10.542 566 H SER 69 H SER 69 -2.956 -8.893 -4.842 567 HA SER 69 HA SER 69 -4.457 -11.138 -5.979 568 HB2 SER 69 HB2 SER 69 -3.982 -10.465 -3.067 569 HB3 SER 69 HB3 SER 69 -4.621 -11.979 -3.730 570 HG SER 69 HG SER 69 -2.040 -10.850 -3.982 571 H LEU 70 H LEU 70 -5.691 -8.841 -6.770 572 HA LEU 70 HA LEU 70 -8.360 -8.934 -5.420 573 HB2 LEU 70 HB2 LEU 70 -7.035 -6.425 -6.534 574 HB3 LEU 70 HB3 LEU 70 -8.645 -6.527 -5.855 575 HG LEU 70 HG LEU 70 -6.069 -6.913 -4.279 576 HD11 LEU 70 HD11 LEU 70 -6.346 -4.620 -5.175 577 HD12 LEU 70 HD12 LEU 70 -6.549 -4.659 -3.420 578 HD13 LEU 70 HD13 LEU 70 -7.975 -4.541 -4.471 579 HD21 LEU 70 HD21 LEU 70 -8.921 -6.470 -3.295 580 HD22 LEU 70 HD22 LEU 70 -7.450 -6.660 -2.307 581 HD23 LEU 70 HD23 LEU 70 -8.067 -8.025 -3.261 Start of MODEL 8 1 H GLN 1 H1 GLN 1 -36.223 -1.835 34.026 2 HA GLN 1 HA GLN 1 -33.802 -0.968 32.608 3 HB2 GLN 1 HB2 GLN 1 -32.506 -2.142 34.272 4 HB3 GLN 1 HB3 GLN 1 -33.486 -0.883 34.994 5 HG2 GLN 1 HG2 GLN 1 -35.094 -2.619 35.808 6 HG3 GLN 1 HG3 GLN 1 -34.062 -3.880 35.116 7 HE21 GLN 1 HE21 GLN 1 -34.026 -1.170 37.477 8 HE22 GLN 1 HE22 GLN 1 -32.808 -1.901 38.511 9 H GLU 2 H GLU 2 -33.236 -2.105 30.931 10 HA GLU 2 HA GLU 2 -34.101 -4.963 30.671 11 HB2 GLU 2 HB2 GLU 2 -34.175 -2.939 28.398 12 HB3 GLU 2 HB3 GLU 2 -34.593 -4.640 28.337 13 HG2 GLU 2 HG2 GLU 2 -36.672 -3.707 28.397 14 HG3 GLU 2 HG3 GLU 2 -36.427 -4.071 30.102 15 H SER 3 H SER 3 -31.477 -2.832 30.638 16 HA SER 3 HA SER 3 -29.336 -2.885 29.984 17 HB2 SER 3 HB2 SER 3 -29.690 -5.860 29.541 18 HB3 SER 3 HB3 SER 3 -28.153 -4.995 29.656 19 HG SER 3 HG SER 3 -30.104 -4.768 31.704 20 H PHE 4 H PHE 4 -31.417 -2.376 27.917 21 HA PHE 4 HA PHE 4 -30.270 -3.372 25.393 22 HB2 PHE 4 HB2 PHE 4 -32.657 -3.404 25.664 23 HB3 PHE 4 HB3 PHE 4 -32.689 -1.711 26.128 24 HD1 PHE 4 HD2 PHE 4 -31.794 -3.962 23.245 25 HD2 PHE 4 HD1 PHE 4 -33.081 -0.040 24.510 26 HE1 PHE 4 HE2 PHE 4 -32.108 -3.296 20.877 27 HE2 PHE 4 HE1 PHE 4 -33.436 0.606 22.140 28 HZ PHE 4 HZ PHE 4 -32.922 -1.003 20.321 29 H LYS 5 H LYS 5 -29.244 -2.219 23.867 30 HA LYS 5 HA LYS 5 -27.669 -0.884 23.027 31 HB2 LYS 5 HB2 LYS 5 -29.556 1.285 23.949 32 HB3 LYS 5 HB3 LYS 5 -28.060 1.633 23.074 33 HG2 LYS 5 HG2 LYS 5 -28.793 0.020 21.270 34 HG3 LYS 5 HG3 LYS 5 -30.321 -0.158 22.119 35 HD2 LYS 5 HD2 LYS 5 -30.688 1.356 20.343 36 HD3 LYS 5 HD3 LYS 5 -30.696 2.336 21.817 37 HE2 LYS 5 HE2 LYS 5 -28.452 3.154 21.364 38 HE3 LYS 5 HE3 LYS 5 -28.222 1.965 20.069 39 HZ1 LYS 5 HZ1 LYS 5 -30.143 4.226 19.992 40 HZ2 LYS 5 HZ2 LYS 5 -29.988 3.090 18.817 41 HZ3 LYS 5 HZ3 LYS 5 -28.753 4.115 19.111 42 H LYS 6 H LYS 6 -26.004 0.874 23.413 43 HA LYS 6 HA LYS 6 -24.041 1.392 24.455 44 HB2 LYS 6 HB2 LYS 6 -25.886 1.840 26.814 45 HB3 LYS 6 HB3 LYS 6 -24.244 2.467 26.675 46 HG2 LYS 6 HG2 LYS 6 -24.822 3.844 24.768 47 HG3 LYS 6 HG3 LYS 6 -26.475 3.195 24.749 48 HD2 LYS 6 HD2 LYS 6 -26.789 4.025 27.098 49 HD3 LYS 6 HD3 LYS 6 -25.178 4.769 27.024 50 HE2 LYS 6 HE2 LYS 6 -25.862 6.234 25.223 51 HE3 LYS 6 HE3 LYS 6 -27.413 5.390 25.052 52 HZ1 LYS 6 HZ1 LYS 6 -27.556 7.472 26.344 53 HZ2 LYS 6 HZ2 LYS 6 -26.585 6.832 27.502 54 HZ3 LYS 6 HZ3 LYS 6 -28.061 6.173 27.225 55 H GLN 7 H GLN 7 -24.535 -1.530 24.578 56 HA GLN 7 HA GLN 7 -22.451 -2.009 26.680 57 HB2 GLN 7 HB2 GLN 7 -24.817 -3.872 26.317 58 HB3 GLN 7 HB3 GLN 7 -23.453 -4.063 27.414 59 HG2 GLN 7 HG2 GLN 7 -24.144 -1.961 28.599 60 HG3 GLN 7 HG3 GLN 7 -25.586 -1.899 27.591 61 HE21 GLN 7 HE21 GLN 7 -26.468 -1.865 29.905 62 HE22 GLN 7 HE22 GLN 7 -26.566 -3.396 30.780 63 H GLU 8 H GLU 8 -24.008 -3.163 23.729 64 HA GLU 8 HA GLU 8 -23.409 -4.396 22.022 65 HB2 GLU 8 HB2 GLU 8 -20.505 -3.791 22.589 66 HB3 GLU 8 HB3 GLU 8 -21.275 -4.202 21.049 67 HG2 GLU 8 HG2 GLU 8 -22.718 -2.087 21.382 68 HG3 GLU 8 HG3 GLU 8 -21.620 -1.652 22.686 69 H LYS 9 H LYS 9 -22.897 -6.466 21.228 70 HA LYS 9 HA LYS 9 -22.547 -8.467 23.433 71 HB2 LYS 9 HB2 LYS 9 -23.915 -8.679 20.729 72 HB3 LYS 9 HB3 LYS 9 -23.734 -9.996 21.889 73 HG2 LYS 9 HG2 LYS 9 -25.075 -8.752 23.551 74 HG3 LYS 9 HG3 LYS 9 -25.289 -7.421 22.395 75 HD2 LYS 9 HD2 LYS 9 -26.447 -8.904 20.832 76 HD3 LYS 9 HD3 LYS 9 -26.149 -10.304 21.879 77 HE2 LYS 9 HE2 LYS 9 -27.538 -9.347 23.650 78 HE3 LYS 9 HE3 LYS 9 -27.771 -7.865 22.715 79 HZ1 LYS 9 HZ1 LYS 9 -28.955 -9.123 21.054 80 HZ2 LYS 9 HZ2 LYS 9 -29.642 -9.414 22.535 81 HZ3 LYS 9 HZ3 LYS 9 -28.691 -10.551 21.817 82 H THR 10 H THR 10 -21.170 -7.583 20.316 83 HA THR 10 HA THR 10 -18.756 -9.020 20.977 84 HB THR 10 HB THR 10 -19.828 -10.951 20.107 85 HG1 THR 10 HG1 THR 10 -18.610 -11.429 18.339 86 HG21 THR 10 HG21 THR 10 -20.755 -11.113 17.820 87 HG22 THR 10 HG22 THR 10 -20.620 -9.355 17.633 88 HG23 THR 10 HG23 THR 10 -21.704 -10.050 18.855 89 HA PRO 11 HA PRO 11 -17.426 -5.737 18.152 90 HB2 PRO 11 HB2 PRO 11 -14.733 -6.044 18.220 91 HB3 PRO 11 HB3 PRO 11 -15.658 -5.455 19.639 92 HG2 PRO 11 HG2 PRO 11 -14.698 -8.281 19.083 93 HG3 PRO 11 HG3 PRO 11 -14.526 -7.325 20.587 94 HD2 PRO 11 HD2 PRO 11 -16.542 -9.154 20.209 95 HD3 PRO 11 HD3 PRO 11 -16.761 -7.673 21.182 96 H LYS 12 H LYS 12 -17.074 -5.601 15.968 97 HA LYS 12 HA LYS 12 -16.454 -8.147 14.469 98 HB2 LYS 12 HB2 LYS 12 -18.238 -5.844 13.640 99 HB3 LYS 12 HB3 LYS 12 -17.900 -7.275 12.676 100 HG2 LYS 12 HG2 LYS 12 -19.376 -7.308 15.356 101 HG3 LYS 12 HG3 LYS 12 -20.113 -7.250 13.767 102 HD2 LYS 12 HD2 LYS 12 -20.340 -9.445 14.257 103 HD3 LYS 12 HD3 LYS 12 -18.892 -9.466 13.255 104 HE2 LYS 12 HE2 LYS 12 -17.487 -9.712 15.259 105 HE3 LYS 12 HE3 LYS 12 -18.888 -9.485 16.316 106 HZ1 LYS 12 HZ1 LYS 12 -19.830 -11.535 15.334 107 HZ2 LYS 12 HZ2 LYS 12 -18.383 -11.860 16.031 108 HZ3 LYS 12 HZ3 LYS 12 -18.528 -11.705 14.384 109 H THR 13 H THR 13 -15.140 -5.151 15.136 110 HA THR 13 HA THR 13 -13.001 -5.715 13.227 111 HB THR 13 HB THR 13 -14.050 -4.129 11.827 112 HG1 THR 13 HG1 THR 13 -12.619 -2.340 11.985 113 HG21 THR 13 HG21 THR 13 -14.443 -2.293 14.231 114 HG22 THR 13 HG22 THR 13 -15.722 -3.112 13.308 115 HG23 THR 13 HG23 THR 13 -14.747 -1.861 12.535 116 HA PRO 14 HA PRO 14 -10.946 -4.256 16.974 117 HB2 PRO 14 HB2 PRO 14 -8.338 -4.364 16.285 118 HB3 PRO 14 HB3 PRO 14 -9.331 -5.847 16.425 119 HG2 PRO 14 HG2 PRO 14 -8.634 -4.299 13.916 120 HG3 PRO 14 HG3 PRO 14 -8.513 -6.068 14.197 121 HD2 PRO 14 HD2 PRO 14 -10.658 -4.856 12.950 122 HD3 PRO 14 HD3 PRO 14 -10.801 -6.359 13.893 123 H LYS 15 H LYS 15 -11.110 -2.519 14.026 124 HA LYS 15 HA LYS 15 -10.620 -0.460 13.261 125 HB2 LYS 15 HB2 LYS 15 -10.657 0.473 16.151 126 HB3 LYS 15 HB3 LYS 15 -10.715 1.471 14.710 127 HG2 LYS 15 HG2 LYS 15 -12.940 1.427 15.053 128 HG3 LYS 15 HG3 LYS 15 -12.837 -0.056 14.119 129 HD2 LYS 15 HD2 LYS 15 -14.250 -0.499 15.990 130 HD3 LYS 15 HD3 LYS 15 -12.727 -1.319 16.344 131 HE2 LYS 15 HE2 LYS 15 -12.063 0.696 17.744 132 HE3 LYS 15 HE3 LYS 15 -13.665 1.376 17.446 133 HZ1 LYS 15 HZ1 LYS 15 -14.621 -0.595 18.536 134 HZ2 LYS 15 HZ2 LYS 15 -13.583 0.173 19.547 135 HZ3 LYS 15 HZ3 LYS 15 -13.108 -1.203 18.803 136 H GLY 16 H GLY 16 -8.670 -1.533 12.556 137 HA2 GLY 16 HA2 GLY 16 -6.431 -1.090 11.932 138 HA3 GLY 16 HA3 GLY 16 -6.261 0.005 13.291 139 HA PRO 17 HA PRO 17 -5.285 -4.698 14.733 140 HB2 PRO 17 HB2 PRO 17 -3.956 -5.207 12.066 141 HB3 PRO 17 HB3 PRO 17 -4.661 -6.386 13.217 142 HG2 PRO 17 HG2 PRO 17 -6.034 -5.630 11.003 143 HG3 PRO 17 HG3 PRO 17 -6.871 -5.823 12.571 144 HD2 PRO 17 HD2 PRO 17 -6.019 -3.292 11.191 145 HD3 PRO 17 HD3 PRO 17 -7.474 -3.610 12.150 146 H SER 18 H SER 18 -3.114 -5.428 15.382 147 HA SER 18 HA SER 18 -1.167 -3.208 15.462 148 HB2 SER 18 HB2 SER 18 -1.324 -5.824 17.000 149 HB3 SER 18 HB3 SER 18 -0.085 -4.590 17.225 150 HG SER 18 HG SER 18 -2.882 -4.335 17.604 151 H SER 19 H SER 19 -1.587 -5.662 13.346 152 HA SER 19 HA SER 19 1.314 -6.031 12.742 153 HB2 SER 19 HB2 SER 19 0.074 -8.079 13.522 154 HB3 SER 19 HB3 SER 19 -0.963 -7.928 12.094 155 HG SER 19 HG SER 19 0.779 -9.387 11.800 156 H VAL 20 H VAL 20 1.324 -6.915 10.289 157 HA VAL 20 HA VAL 20 0.849 -4.734 8.520 158 HB VAL 20 HB VAL 20 1.407 -7.674 7.978 159 HG11 VAL 20 HG11 VAL 20 2.289 -6.927 5.760 160 HG12 VAL 20 HG12 VAL 20 0.543 -6.788 5.908 161 HG13 VAL 20 HG13 VAL 20 1.557 -5.327 6.040 162 HG21 VAL 20 HG21 VAL 20 3.235 -5.229 7.996 163 HG22 VAL 20 HG22 VAL 20 3.200 -6.508 9.225 164 HG23 VAL 20 HG23 VAL 20 3.722 -6.889 7.588 165 H GLU 21 H GLU 21 -1.398 -7.245 9.510 166 HA GLU 21 HA GLU 21 -3.307 -7.255 7.460 167 HB2 GLU 21 HB2 GLU 21 -3.770 -7.108 10.473 168 HB3 GLU 21 HB3 GLU 21 -5.021 -7.447 9.275 169 HG2 GLU 21 HG2 GLU 21 -3.621 -9.447 8.538 170 HG3 GLU 21 HG3 GLU 21 -2.657 -9.194 10.005 171 H ASP 22 H ASP 22 -2.697 -4.661 9.825 172 HA ASP 22 HA ASP 22 -5.010 -3.042 9.231 173 HB2 ASP 22 HB2 ASP 22 -4.011 -2.566 11.279 174 HB3 ASP 22 HB3 ASP 22 -2.391 -2.663 10.652 175 H ILE 23 H ILE 23 -1.555 -2.576 8.098 176 HA ILE 23 HA ILE 23 -2.427 -0.520 6.333 177 HB ILE 23 HB ILE 23 -0.135 -0.846 7.290 178 HG12 ILE 23 HG12 ILE 23 -0.342 -0.207 4.326 179 HG13 ILE 23 HG13 ILE 23 -0.752 0.868 5.666 180 HG21 ILE 23 HG21 ILE 23 0.286 -2.734 4.922 181 HG22 ILE 23 HG22 ILE 23 1.510 -2.161 6.081 182 HG23 ILE 23 HG23 ILE 23 0.217 -3.206 6.634 183 HD11 ILE 23 HD11 ILE 23 1.406 1.544 5.052 184 HD12 ILE 23 HD12 ILE 23 1.680 0.540 6.482 185 HD13 ILE 23 HD13 ILE 23 1.987 -0.122 4.859 186 H LYS 24 H LYS 24 -2.131 -4.013 5.800 187 HA LYS 24 HA LYS 24 -2.660 -4.110 2.975 188 HB2 LYS 24 HB2 LYS 24 -3.547 -5.912 5.262 189 HB3 LYS 24 HB3 LYS 24 -3.794 -6.322 3.574 190 HG2 LYS 24 HG2 LYS 24 -1.001 -5.746 4.600 191 HG3 LYS 24 HG3 LYS 24 -1.791 -7.291 4.950 192 HD2 LYS 24 HD2 LYS 24 -2.124 -7.612 2.467 193 HD3 LYS 24 HD3 LYS 24 -1.191 -6.121 2.217 194 HE2 LYS 24 HE2 LYS 24 0.263 -8.043 1.903 195 HE3 LYS 24 HE3 LYS 24 0.769 -7.159 3.344 196 HZ1 LYS 24 HZ1 LYS 24 0.762 -9.537 3.674 197 HZ2 LYS 24 HZ2 LYS 24 -0.864 -9.654 3.391 198 HZ3 LYS 24 HZ3 LYS 24 -0.296 -8.865 4.709 199 H ALA 25 H ALA 25 -4.978 -4.078 5.728 200 HA ALA 25 HA ALA 25 -7.295 -4.015 4.020 201 HB1 ALA 25 HB1 ALA 25 -8.497 -3.860 6.131 202 HB2 ALA 25 HB2 ALA 25 -7.209 -5.061 6.253 203 HB3 ALA 25 HB3 ALA 25 -6.996 -3.460 7.000 204 H LYS 26 H LYS 26 -5.490 -1.449 5.724 205 HA LYS 26 HA LYS 26 -7.370 0.680 5.111 206 HB2 LYS 26 HB2 LYS 26 -4.576 0.499 6.243 207 HB3 LYS 26 HB3 LYS 26 -5.116 2.038 5.590 208 HG2 LYS 26 HG2 LYS 26 -5.511 1.964 7.955 209 HG3 LYS 26 HG3 LYS 26 -7.038 2.092 7.072 210 HD2 LYS 26 HD2 LYS 26 -7.388 -0.381 7.448 211 HD3 LYS 26 HD3 LYS 26 -5.913 -0.400 8.423 212 HE2 LYS 26 HE2 LYS 26 -8.407 1.252 8.982 213 HE3 LYS 26 HE3 LYS 26 -7.983 -0.265 9.776 214 HZ1 LYS 26 HZ1 LYS 26 -5.908 0.863 10.532 215 HZ2 LYS 26 HZ2 LYS 26 -7.326 1.549 11.128 216 HZ3 LYS 26 HZ3 LYS 26 -6.489 2.287 9.932 217 H MET 27 H MET 27 -4.513 -0.586 3.354 218 HA MET 27 HA MET 27 -4.856 1.285 1.142 219 HB2 MET 27 HB2 MET 27 -3.483 -1.415 1.311 220 HB3 MET 27 HB3 MET 27 -3.486 -0.384 -0.121 221 HG2 MET 27 HG2 MET 27 -2.332 0.404 2.585 222 HG3 MET 27 HG3 MET 27 -1.427 -0.161 1.192 223 HE1 MET 27 HE1 MET 27 -2.232 2.833 3.197 224 HE2 MET 27 HE2 MET 27 -2.781 4.097 2.072 225 HE3 MET 27 HE3 MET 27 -3.854 2.746 2.472 226 H GLN 28 H GLN 28 -6.404 -1.854 1.957 227 HA GLN 28 HA GLN 28 -7.829 -1.956 -0.564 228 HB2 GLN 28 HB2 GLN 28 -8.732 -3.169 2.068 229 HB3 GLN 28 HB3 GLN 28 -9.418 -3.437 0.477 230 HG2 GLN 28 HG2 GLN 28 -6.955 -4.584 1.665 231 HG3 GLN 28 HG3 GLN 28 -8.127 -5.305 0.590 232 HE21 GLN 28 HE21 GLN 28 -5.035 -3.776 0.782 233 HE22 GLN 28 HE22 GLN 28 -4.773 -3.684 -0.977 234 H ALA 29 H ALA 29 -8.611 -0.348 2.566 235 HA ALA 29 HA ALA 29 -11.062 0.790 1.651 236 HB1 ALA 29 HB1 ALA 29 -10.315 0.821 4.015 237 HB2 ALA 29 HB2 ALA 29 -9.054 2.001 3.599 238 HB3 ALA 29 HB3 ALA 29 -10.761 2.432 3.423 239 H SER 30 H SER 30 -7.651 2.002 1.199 240 HA SER 30 HA SER 30 -8.307 4.348 -0.208 241 HB2 SER 30 HB2 SER 30 -5.987 2.587 -1.035 242 HB3 SER 30 HB3 SER 30 -6.131 4.343 -1.129 243 HG SER 30 HG SER 30 -6.247 4.224 1.278 244 H ILE 31 H ILE 31 -7.874 1.039 -1.665 245 HA ILE 31 HA ILE 31 -8.594 2.151 -4.263 246 HB ILE 31 HB ILE 31 -6.908 0.432 -4.074 247 HG12 ILE 31 HG12 ILE 31 -9.287 -0.348 -5.809 248 HG13 ILE 31 HG13 ILE 31 -8.112 0.923 -6.171 249 HG21 ILE 31 HG21 ILE 31 -7.371 -1.890 -3.687 250 HG22 ILE 31 HG22 ILE 31 -8.033 -0.974 -2.341 251 HG23 ILE 31 HG23 ILE 31 -9.121 -1.605 -3.595 252 HD11 ILE 31 HD11 ILE 31 -7.531 -1.023 -7.450 253 HD12 ILE 31 HD12 ILE 31 -6.302 -0.835 -6.181 254 HD13 ILE 31 HD13 ILE 31 -7.584 -2.062 -6.018 255 H GLU 32 H GLU 32 -10.415 -0.126 -2.075 256 HA GLU 32 HA GLU 32 -12.623 0.045 -4.036 257 HB2 GLU 32 HB2 GLU 32 -13.681 -1.774 -2.967 258 HB3 GLU 32 HB3 GLU 32 -12.026 -2.164 -3.417 259 HG2 GLU 32 HG2 GLU 32 -11.302 -2.218 -1.170 260 HG3 GLU 32 HG3 GLU 32 -12.738 -1.357 -0.580 261 H LYS 33 H LYS 33 -11.901 1.837 -1.272 262 HA LYS 33 HA LYS 33 -14.749 2.827 -1.313 263 HB2 LYS 33 HB2 LYS 33 -12.861 3.161 1.035 264 HB3 LYS 33 HB3 LYS 33 -14.553 3.611 0.928 265 HG2 LYS 33 HG2 LYS 33 -15.194 1.207 0.793 266 HG3 LYS 33 HG3 LYS 33 -13.479 0.755 0.916 267 HD2 LYS 33 HD2 LYS 33 -13.381 2.057 3.091 268 HD3 LYS 33 HD3 LYS 33 -15.136 2.213 3.025 269 HE2 LYS 33 HE2 LYS 33 -13.616 -0.439 3.024 270 HE3 LYS 33 HE3 LYS 33 -14.236 0.350 4.477 271 HZ1 LYS 33 HZ1 LYS 33 -15.733 -1.326 3.684 272 HZ2 LYS 33 HZ2 LYS 33 -15.885 -0.630 2.230 273 HZ3 LYS 33 HZ3 LYS 33 -16.476 0.141 3.599 274 H GLY 34 H GLY 34 -11.308 3.829 -1.116 275 HA2 GLY 34 HA2 GLY 34 -11.949 6.651 -1.437 276 HA3 GLY 34 HA3 GLY 34 -10.351 5.905 -1.428 277 H GLY 35 H GLY 35 -10.924 4.084 -3.687 278 HA2 GLY 35 HA2 GLY 35 -10.729 4.034 -5.978 279 HA3 GLY 35 HA3 GLY 35 -11.621 5.558 -6.074 280 H SER 36 H SER 36 -8.649 5.382 -4.159 281 HA SER 36 HA SER 36 -7.378 7.261 -6.119 282 HB2 SER 36 HB2 SER 36 -6.678 8.543 -4.153 283 HB3 SER 36 HB3 SER 36 -8.440 8.387 -4.256 284 HG SER 36 HG SER 36 -7.168 7.933 -2.185 285 H LEU 37 H LEU 37 -6.685 4.254 -4.862 286 HA LEU 37 HA LEU 37 -3.988 4.636 -3.967 287 HB2 LEU 37 HB2 LEU 37 -5.466 2.729 -3.371 288 HB3 LEU 37 HB3 LEU 37 -5.406 2.171 -5.037 289 HG LEU 37 HG LEU 37 -2.915 1.821 -4.776 290 HD11 LEU 37 HD11 LEU 37 -3.522 2.343 -1.831 291 HD12 LEU 37 HD12 LEU 37 -2.501 3.355 -2.867 292 HD13 LEU 37 HD13 LEU 37 -1.997 1.707 -2.484 293 HD21 LEU 37 HD21 LEU 37 -4.499 -0.037 -4.522 294 HD22 LEU 37 HD22 LEU 37 -4.704 0.351 -2.795 295 HD23 LEU 37 HD23 LEU 37 -3.135 -0.218 -3.414 296 HA PRO 38 HA PRO 38 -2.143 4.803 -8.086 297 HB2 PRO 38 HB2 PRO 38 0.480 4.361 -6.710 298 HB3 PRO 38 HB3 PRO 38 0.001 5.640 -7.872 299 HG2 PRO 38 HG2 PRO 38 0.189 6.197 -5.235 300 HG3 PRO 38 HG3 PRO 38 -1.200 6.830 -6.180 301 HD2 PRO 38 HD2 PRO 38 -1.107 4.336 -4.441 302 HD3 PRO 38 HD3 PRO 38 -2.292 5.680 -4.430 303 H LYS 39 H LYS 39 -0.885 3.602 -9.628 304 HA LYS 39 HA LYS 39 -1.028 0.649 -9.288 305 HB2 LYS 39 HB2 LYS 39 -2.225 1.652 -11.140 306 HB3 LYS 39 HB3 LYS 39 -0.796 2.528 -11.666 307 HG2 LYS 39 HG2 LYS 39 0.297 0.278 -12.165 308 HG3 LYS 39 HG3 LYS 39 -1.284 -0.466 -11.856 309 HD2 LYS 39 HD2 LYS 39 -2.276 0.931 -13.672 310 HD3 LYS 39 HD3 LYS 39 -0.733 1.773 -13.866 311 HE2 LYS 39 HE2 LYS 39 -0.716 0.243 -15.618 312 HE3 LYS 39 HE3 LYS 39 0.332 -0.478 -14.391 313 HZ1 LYS 39 HZ1 LYS 39 -1.222 -2.111 -15.318 314 HZ2 LYS 39 HZ2 LYS 39 -2.506 -1.191 -14.900 315 HZ3 LYS 39 HZ3 LYS 39 -1.571 -1.896 -13.738 316 H VAL 40 H VAL 40 1.318 3.100 -10.457 317 HA VAL 40 HA VAL 40 3.294 1.049 -10.977 318 HB VAL 40 HB VAL 40 2.909 3.107 -12.341 319 HG11 VAL 40 HG11 VAL 40 4.687 4.513 -10.316 320 HG12 VAL 40 HG12 VAL 40 3.989 5.171 -11.813 321 HG13 VAL 40 HG13 VAL 40 2.931 4.752 -10.456 322 HG21 VAL 40 HG21 VAL 40 5.768 2.582 -11.470 323 HG22 VAL 40 HG22 VAL 40 4.844 1.689 -12.707 324 HG23 VAL 40 HG23 VAL 40 5.252 3.388 -12.966 325 H GLU 41 H GLU 41 5.162 0.506 -9.927 326 HA GLU 41 HA GLU 41 4.959 0.255 -7.218 327 HB2 GLU 41 HB2 GLU 41 6.389 -1.068 -8.792 328 HB3 GLU 41 HB3 GLU 41 7.573 0.237 -8.749 329 HG2 GLU 41 HG2 GLU 41 7.651 -0.116 -6.213 330 HG3 GLU 41 HG3 GLU 41 6.719 -1.591 -6.472 331 H ALA 42 H ALA 42 7.185 2.728 -8.714 332 HA ALA 42 HA ALA 42 8.148 3.750 -6.287 333 HB1 ALA 42 HB1 ALA 42 7.663 5.306 -8.860 334 HB2 ALA 42 HB2 ALA 42 8.840 5.682 -7.590 335 HB3 ALA 42 HB3 ALA 42 9.047 4.222 -8.572 336 H LYS 43 H LYS 43 5.183 4.754 -8.032 337 HA LYS 43 HA LYS 43 4.488 6.945 -6.209 338 HB2 LYS 43 HB2 LYS 43 2.817 5.350 -8.200 339 HB3 LYS 43 HB3 LYS 43 2.184 6.637 -7.176 340 HG2 LYS 43 HG2 LYS 43 3.781 8.246 -8.195 341 HG3 LYS 43 HG3 LYS 43 4.275 6.970 -9.342 342 HD2 LYS 43 HD2 LYS 43 1.869 6.717 -10.016 343 HD3 LYS 43 HD3 LYS 43 1.433 8.026 -8.914 344 HE2 LYS 43 HE2 LYS 43 2.699 9.632 -10.220 345 HE3 LYS 43 HE3 LYS 43 3.331 8.354 -11.272 346 HZ1 LYS 43 HZ1 LYS 43 1.123 7.932 -12.081 347 HZ2 LYS 43 HZ2 LYS 43 1.335 9.556 -12.170 348 HZ3 LYS 43 HZ3 LYS 43 0.434 8.901 -10.967 349 H PHE 44 H PHE 44 3.581 3.525 -6.540 350 HA PHE 44 HA PHE 44 1.608 3.442 -4.518 351 HB2 PHE 44 HB2 PHE 44 1.804 1.721 -6.178 352 HB3 PHE 44 HB3 PHE 44 3.468 1.391 -5.760 353 HD1 PHE 44 HD2 PHE 44 -0.051 0.962 -4.620 354 HD2 PHE 44 HD1 PHE 44 4.075 -0.181 -4.075 355 HE1 PHE 44 HE2 PHE 44 -0.760 -0.962 -3.214 356 HE2 PHE 44 HE1 PHE 44 3.361 -2.106 -2.680 357 HZ PHE 44 HZ PHE 44 0.941 -2.514 -2.274 358 H ILE 45 H ILE 45 5.137 2.701 -4.292 359 HA ILE 45 HA ILE 45 5.257 2.378 -1.458 360 HB ILE 45 HB ILE 45 7.318 3.358 -3.470 361 HG12 ILE 45 HG12 ILE 45 7.136 0.652 -2.070 362 HG13 ILE 45 HG13 ILE 45 6.345 0.948 -3.611 363 HG21 ILE 45 HG21 ILE 45 9.024 2.817 -1.715 364 HG22 ILE 45 HG22 ILE 45 8.005 4.153 -1.236 365 HG23 ILE 45 HG23 ILE 45 7.719 2.534 -0.553 366 HD11 ILE 45 HD11 ILE 45 8.526 1.570 -4.633 367 HD12 ILE 45 HD12 ILE 45 9.328 1.146 -3.105 368 HD13 ILE 45 HD13 ILE 45 8.469 -0.095 -4.024 369 H ASN 46 H ASN 46 5.736 5.378 -3.429 370 HA ASN 46 HA ASN 46 6.179 7.131 -1.260 371 HB2 ASN 46 HB2 ASN 46 6.672 8.088 -3.297 372 HB3 ASN 46 HB3 ASN 46 5.273 7.398 -4.102 373 HD21 ASN 46 HD21 ASN 46 3.345 8.511 -4.201 374 HD22 ASN 46 HD22 ASN 46 3.209 10.180 -3.706 375 H TYR 47 H TYR 47 3.030 6.157 -2.662 376 HA TYR 47 HA TYR 47 1.418 7.835 -0.978 377 HB2 TYR 47 HB2 TYR 47 0.723 6.949 -3.143 378 HB3 TYR 47 HB3 TYR 47 0.779 5.301 -2.535 379 HD1 TYR 47 HD1 TYR 47 -0.968 4.473 -0.945 380 HD2 TYR 47 HD2 TYR 47 -1.124 8.449 -2.634 381 HE1 TYR 47 HE1 TYR 47 -3.376 4.657 -0.324 382 HE2 TYR 47 HE2 TYR 47 -3.524 8.608 -2.020 383 HH TYR 47 HH TYR 47 -5.302 7.579 -1.072 384 H VAL 48 H VAL 48 2.308 4.341 -0.741 385 HA VAL 48 HA VAL 48 0.900 3.793 1.675 386 HB VAL 48 HB VAL 48 3.418 2.549 0.500 387 HG11 VAL 48 HG11 VAL 48 2.971 0.620 2.006 388 HG12 VAL 48 HG12 VAL 48 3.388 2.070 2.928 389 HG13 VAL 48 HG13 VAL 48 1.694 1.563 2.808 390 HG21 VAL 48 HG21 VAL 48 1.974 0.778 -0.256 391 HG22 VAL 48 HG22 VAL 48 0.599 1.403 0.672 392 HG23 VAL 48 HG23 VAL 48 1.179 2.277 -0.747 393 H LYS 49 H LYS 49 4.357 4.777 1.259 394 HA LYS 49 HA LYS 49 4.882 4.992 4.084 395 HB2 LYS 49 HB2 LYS 49 6.303 6.198 1.685 396 HB3 LYS 49 HB3 LYS 49 6.892 6.281 3.353 397 HG2 LYS 49 HG2 LYS 49 6.941 3.797 3.483 398 HG3 LYS 49 HG3 LYS 49 6.363 3.698 1.819 399 HD2 LYS 49 HD2 LYS 49 8.663 3.399 1.593 400 HD3 LYS 49 HD3 LYS 49 8.427 5.093 1.167 401 HE2 LYS 49 HE2 LYS 49 10.275 5.222 2.568 402 HE3 LYS 49 HE3 LYS 49 8.962 5.556 3.705 403 HZ1 LYS 49 HZ1 LYS 49 10.483 3.906 4.619 404 HZ2 LYS 49 HZ2 LYS 49 10.328 2.945 3.297 405 HZ3 LYS 49 HZ3 LYS 49 9.058 3.143 4.307 406 H ASN 50 H ASN 50 3.419 7.273 1.852 407 HA ASN 50 HA ASN 50 3.459 9.533 3.690 408 HB2 ASN 50 HB2 ASN 50 3.256 10.104 1.426 409 HB3 ASN 50 HB3 ASN 50 2.099 8.832 1.082 410 HD21 ASN 50 HD21 ASN 50 -0.104 9.084 1.581 411 HD22 ASN 50 HD22 ASN 50 -0.767 10.667 1.918 412 H CYS 51 H CYS 51 1.359 6.689 3.348 413 HA CYS 51 HA CYS 51 -0.774 7.869 5.002 414 HB2 CYS 51 HB2 CYS 51 -0.470 5.152 3.676 415 HB3 CYS 51 HB3 CYS 51 -1.868 5.671 4.641 416 HG CYS 51 HG CYS 51 -0.708 6.709 1.754 417 H PHE 52 H PHE 52 1.645 5.238 5.390 418 HA PHE 52 HA PHE 52 1.684 5.690 8.268 419 HB2 PHE 52 HB2 PHE 52 -0.129 3.943 7.884 420 HB3 PHE 52 HB3 PHE 52 1.108 2.899 7.211 421 HD1 PHE 52 HD2 PHE 52 0.628 5.046 10.300 422 HD2 PHE 52 HD1 PHE 52 1.867 1.233 8.704 423 HE1 PHE 52 HE2 PHE 52 1.100 4.228 12.594 424 HE2 PHE 52 HE1 PHE 52 2.330 0.424 10.997 425 HZ PHE 52 HZ PHE 52 1.951 1.913 12.951 426 H ARG 53 H ARG 53 3.623 4.543 9.268 427 HA ARG 53 HA ARG 53 5.734 5.600 7.897 428 HB2 ARG 53 HB2 ARG 53 7.236 4.770 9.492 429 HB3 ARG 53 HB3 ARG 53 5.732 5.106 10.334 430 HG2 ARG 53 HG2 ARG 53 5.249 2.671 10.462 431 HG3 ARG 53 HG3 ARG 53 6.690 2.324 9.492 432 HD2 ARG 53 HD2 ARG 53 8.051 3.535 11.262 433 HD3 ARG 53 HD3 ARG 53 6.619 3.418 12.303 434 HE ARG 53 HE ARG 53 7.107 0.825 11.287 435 HH11 ARG 53 HH11 ARG 53 8.748 3.067 13.424 436 HH12 ARG 53 HH12 ARG 53 9.715 1.805 14.161 437 HH21 ARG 53 HH21 ARG 53 8.523 -0.709 12.118 438 HH22 ARG 53 HH22 ARG 53 9.459 -0.290 13.527 439 H MET 54 H MET 54 5.018 2.150 7.813 440 HA MET 54 HA MET 54 5.915 0.423 6.761 441 HB2 MET 54 HB2 MET 54 4.222 1.266 5.280 442 HB3 MET 54 HB3 MET 54 5.401 2.250 4.408 443 HG2 MET 54 HG2 MET 54 4.781 0.010 3.344 444 HG3 MET 54 HG3 MET 54 6.487 0.373 3.520 445 HE1 MET 54 HE1 MET 54 3.501 -1.902 4.824 446 HE2 MET 54 HE2 MET 54 4.282 -2.750 6.176 447 HE3 MET 54 HE3 MET 54 3.964 -1.008 6.296 448 H THR 55 H THR 55 7.903 0.534 7.835 449 HA THR 55 HA THR 55 10.235 1.718 6.535 450 HB THR 55 HB THR 55 11.328 0.756 8.678 451 HG1 THR 55 HG1 THR 55 9.777 -0.799 9.171 452 HG21 THR 55 HG21 THR 55 8.981 2.687 8.937 453 HG22 THR 55 HG22 THR 55 10.659 3.108 8.547 454 HG23 THR 55 HG23 THR 55 10.267 2.441 10.141 455 H ASP 56 H ASP 56 8.818 -1.364 6.202 456 HA ASP 56 HA ASP 56 11.461 -2.769 6.109 457 HB2 ASP 56 HB2 ASP 56 8.661 -3.668 6.825 458 HB3 ASP 56 HB3 ASP 56 10.010 -4.769 6.605 459 H GLN 57 H GLN 57 12.145 -3.168 4.079 460 HA GLN 57 HA GLN 57 10.596 -3.093 1.747 461 HB2 GLN 57 HB2 GLN 57 12.995 -2.813 1.761 462 HB3 GLN 57 HB3 GLN 57 13.226 -4.473 2.315 463 HG2 GLN 57 HG2 GLN 57 13.733 -4.335 -0.024 464 HG3 GLN 57 HG3 GLN 57 12.302 -5.328 0.185 465 HE21 GLN 57 HE21 GLN 57 10.240 -4.492 -0.590 466 HE22 GLN 57 HE22 GLN 57 10.255 -3.236 -1.838 467 H GLU 58 H GLU 58 11.214 -5.849 3.857 468 HA GLU 58 HA GLU 58 10.124 -7.926 2.203 469 HB2 GLU 58 HB2 GLU 58 10.011 -9.184 4.354 470 HB3 GLU 58 HB3 GLU 58 11.581 -8.474 3.981 471 HG2 GLU 58 HG2 GLU 58 11.035 -6.561 5.546 472 HG3 GLU 58 HG3 GLU 58 9.547 -7.401 5.981 473 H ALA 59 H ALA 59 8.524 -5.597 4.401 474 HA ALA 59 HA ALA 59 5.898 -6.898 4.008 475 HB1 ALA 59 HB1 ALA 59 5.027 -5.095 5.373 476 HB2 ALA 59 HB2 ALA 59 6.359 -5.937 6.195 477 HB3 ALA 59 HB3 ALA 59 6.637 -4.337 5.454 478 H ILE 60 H ILE 60 7.707 -4.033 2.826 479 HA ILE 60 HA ILE 60 5.683 -2.879 1.201 480 HB ILE 60 HB ILE 60 8.682 -3.056 0.924 481 HG12 ILE 60 HG12 ILE 60 6.870 -0.729 1.629 482 HG13 ILE 60 HG13 ILE 60 7.709 -1.751 2.798 483 HG21 ILE 60 HG21 ILE 60 6.776 -1.421 -0.824 484 HG22 ILE 60 HG22 ILE 60 8.547 -1.263 -0.829 485 HG23 ILE 60 HG23 ILE 60 7.811 -2.746 -1.388 486 HD11 ILE 60 HD11 ILE 60 8.970 0.188 0.853 487 HD12 ILE 60 HD12 ILE 60 9.006 0.205 2.623 488 HD13 ILE 60 HD13 ILE 60 9.904 -1.044 1.735 489 H GLN 61 H GLN 61 8.031 -5.481 0.282 490 HA GLN 61 HA GLN 61 6.726 -5.887 -2.263 491 HB2 GLN 61 HB2 GLN 61 8.182 -7.751 -2.585 492 HB3 GLN 61 HB3 GLN 61 9.062 -6.378 -1.943 493 HG2 GLN 61 HG2 GLN 61 10.003 -8.005 -0.647 494 HG3 GLN 61 HG3 GLN 61 8.668 -7.574 0.390 495 HE21 GLN 61 HE21 GLN 61 7.863 -9.409 1.334 496 HE22 GLN 61 HE22 GLN 61 7.839 -10.987 0.536 497 H ASP 62 H ASP 62 6.205 -7.439 0.952 498 HA ASP 62 HA ASP 62 4.336 -9.390 -0.037 499 HB2 ASP 62 HB2 ASP 62 5.359 -9.436 2.199 500 HB3 ASP 62 HB3 ASP 62 4.487 -7.966 2.641 501 H LEU 63 H LEU 63 3.862 -5.956 0.945 502 HA LEU 63 HA LEU 63 1.038 -5.943 0.495 503 HB2 LEU 63 HB2 LEU 63 2.861 -4.194 1.594 504 HB3 LEU 63 HB3 LEU 63 2.476 -3.375 0.091 505 HG LEU 63 HG LEU 63 0.543 -4.256 2.284 506 HD11 LEU 63 HD11 LEU 63 1.930 -2.295 2.842 507 HD12 LEU 63 HD12 LEU 63 0.231 -1.833 2.624 508 HD13 LEU 63 HD13 LEU 63 1.413 -1.490 1.344 509 HD21 LEU 63 HD21 LEU 63 -1.212 -2.998 1.107 510 HD22 LEU 63 HD22 LEU 63 -0.650 -4.352 0.119 511 HD23 LEU 63 HD23 LEU 63 -0.110 -2.700 -0.250 512 H TRP 64 H TRP 64 3.842 -5.329 -1.627 513 HA TRP 64 HA TRP 64 2.361 -4.448 -3.917 514 HB2 TRP 64 HB2 TRP 64 4.850 -4.160 -3.396 515 HB3 TRP 64 HB3 TRP 64 5.062 -5.822 -3.911 516 HD1 TRP 64 HD1 TRP 64 3.020 -2.973 -5.586 517 HE1 TRP 64 HE1 TRP 64 3.779 -2.735 -8.029 518 HE3 TRP 64 HE3 TRP 64 6.868 -6.364 -5.590 519 HZ2 TRP 64 HZ2 TRP 64 5.867 -3.747 -9.710 520 HZ3 TRP 64 HZ3 TRP 64 8.242 -6.683 -7.636 521 HH2 TRP 64 HH2 TRP 64 7.744 -5.393 -9.700 522 H GLN 65 H GLN 65 3.433 -7.741 -2.937 523 HA GLN 65 HA GLN 65 2.183 -9.103 -5.156 524 HB2 GLN 65 HB2 GLN 65 3.033 -9.926 -2.362 525 HB3 GLN 65 HB3 GLN 65 1.965 -10.966 -3.297 526 HG2 GLN 65 HG2 GLN 65 4.068 -11.810 -3.771 527 HG3 GLN 65 HG3 GLN 65 3.651 -10.883 -5.205 528 HE21 GLN 65 HE21 GLN 65 4.794 -8.738 -5.505 529 HE22 GLN 65 HE22 GLN 65 6.343 -8.551 -4.672 530 H TRP 66 H TRP 66 0.861 -8.032 -1.970 531 HA TRP 66 HA TRP 66 -1.754 -9.096 -2.447 532 HB2 TRP 66 HB2 TRP 66 -0.773 -8.298 -0.258 533 HB3 TRP 66 HB3 TRP 66 -1.105 -6.650 -0.780 534 HD1 TRP 66 HD1 TRP 66 -3.626 -5.881 -0.813 535 HE1 TRP 66 HE1 TRP 66 -5.845 -6.908 -0.058 536 HE3 TRP 66 HE3 TRP 66 -2.063 -10.649 0.152 537 HZ2 TRP 66 HZ2 TRP 66 -6.780 -9.365 1.120 538 HZ3 TRP 66 HZ3 TRP 66 -3.667 -12.341 1.014 539 HH2 TRP 66 HH2 TRP 66 -6.013 -11.703 1.520 540 H ARG 67 H ARG 67 -0.270 -6.120 -3.609 541 HA ARG 67 HA ARG 67 -2.679 -5.037 -4.865 542 HB2 ARG 67 HB2 ARG 67 -0.472 -3.826 -4.156 543 HB3 ARG 67 HB3 ARG 67 0.206 -4.484 -5.637 544 HG2 ARG 67 HG2 ARG 67 -2.161 -3.280 -6.537 545 HG3 ARG 67 HG3 ARG 67 -1.674 -2.245 -5.204 546 HD2 ARG 67 HD2 ARG 67 -0.533 -1.252 -6.988 547 HD3 ARG 67 HD3 ARG 67 0.707 -2.292 -6.320 548 HE ARG 67 HE ARG 67 0.604 -3.667 -8.228 549 HH11 ARG 67 HH11 ARG 67 -2.225 -1.553 -8.291 550 HH12 ARG 67 HH12 ARG 67 -2.591 -1.936 -9.951 551 HH21 ARG 67 HH21 ARG 67 0.207 -3.913 -10.408 552 HH22 ARG 67 HH22 ARG 67 -1.272 -3.269 -11.100 553 H LYS 68 H LYS 68 -0.198 -7.344 -5.841 554 HA LYS 68 HA LYS 68 -0.990 -7.418 -8.638 555 HB2 LYS 68 HB2 LYS 68 1.285 -7.972 -7.677 556 HB3 LYS 68 HB3 LYS 68 0.636 -9.509 -7.121 557 HG2 LYS 68 HG2 LYS 68 0.332 -8.677 -10.024 558 HG3 LYS 68 HG3 LYS 68 1.891 -9.243 -9.449 559 HD2 LYS 68 HD2 LYS 68 1.079 -11.392 -8.866 560 HD3 LYS 68 HD3 LYS 68 -0.613 -10.943 -9.078 561 HE2 LYS 68 HE2 LYS 68 1.428 -10.840 -11.332 562 HE3 LYS 68 HE3 LYS 68 0.485 -12.289 -10.970 563 HZ1 LYS 68 HZ1 LYS 68 -0.468 -10.769 -12.713 564 HZ2 LYS 68 HZ2 LYS 68 -0.836 -9.694 -11.546 565 HZ3 LYS 68 HZ3 LYS 68 -1.509 -11.191 -11.511 566 H SER 69 H SER 69 -1.828 -9.361 -5.759 567 HA SER 69 HA SER 69 -3.418 -11.246 -7.252 568 HB2 SER 69 HB2 SER 69 -3.927 -12.224 -5.088 569 HB3 SER 69 HB3 SER 69 -2.202 -11.894 -5.276 570 HG SER 69 HG SER 69 -2.623 -11.146 -3.328 571 H LEU 70 H LEU 70 -4.261 -8.220 -7.069 572 HA LEU 70 HA LEU 70 -7.035 -8.328 -6.227 573 HB2 LEU 70 HB2 LEU 70 -5.485 -6.356 -7.955 574 HB3 LEU 70 HB3 LEU 70 -7.131 -6.105 -7.389 575 HG LEU 70 HG LEU 70 -4.673 -6.357 -5.602 576 HD11 LEU 70 HD11 LEU 70 -5.048 -3.936 -5.225 577 HD12 LEU 70 HD12 LEU 70 -6.359 -3.964 -6.424 578 HD13 LEU 70 HD13 LEU 70 -4.690 -4.286 -6.925 579 HD21 LEU 70 HD21 LEU 70 -6.704 -7.107 -4.429 580 HD22 LEU 70 HD22 LEU 70 -7.561 -5.635 -4.942 581 HD23 LEU 70 HD23 LEU 70 -6.184 -5.539 -3.820 Start of MODEL 9 1 H GLN 1 H1 GLN 1 -46.922 -9.013 10.628 2 HA GLN 1 HA GLN 1 -47.715 -7.528 13.025 3 HB2 GLN 1 HB2 GLN 1 -45.829 -8.319 14.223 4 HB3 GLN 1 HB3 GLN 1 -46.730 -9.680 13.617 5 HG2 GLN 1 HG2 GLN 1 -44.699 -10.478 13.078 6 HG3 GLN 1 HG3 GLN 1 -44.926 -9.554 11.607 7 HE21 GLN 1 HE21 GLN 1 -42.423 -10.126 12.027 8 HE22 GLN 1 HE22 GLN 1 -41.529 -8.745 12.673 9 H GLU 2 H GLU 2 -45.835 -5.986 13.709 10 HA GLU 2 HA GLU 2 -45.814 -4.198 11.382 11 HB2 GLU 2 HB2 GLU 2 -45.715 -2.424 12.956 12 HB3 GLU 2 HB3 GLU 2 -46.987 -3.537 13.413 13 HG2 GLU 2 HG2 GLU 2 -44.254 -3.698 14.753 14 HG3 GLU 2 HG3 GLU 2 -45.417 -2.465 15.207 15 H SER 3 H SER 3 -43.306 -5.818 13.181 16 HA SER 3 HA SER 3 -41.081 -5.605 13.370 17 HB2 SER 3 HB2 SER 3 -41.215 -4.288 10.647 18 HB3 SER 3 HB3 SER 3 -39.768 -4.963 11.410 19 HG SER 3 HG SER 3 -40.781 -6.990 11.454 20 H PHE 4 H PHE 4 -39.162 -4.303 13.677 21 HA PHE 4 HA PHE 4 -39.733 -1.480 14.516 22 HB2 PHE 4 HB2 PHE 4 -38.562 -3.759 16.154 23 HB3 PHE 4 HB3 PHE 4 -38.453 -2.072 16.614 24 HD1 PHE 4 HD1 PHE 4 -40.839 -4.896 16.106 25 HD2 PHE 4 HD2 PHE 4 -40.295 -0.886 17.599 26 HE1 PHE 4 HE1 PHE 4 -43.066 -4.998 17.190 27 HE2 PHE 4 HE2 PHE 4 -42.511 -1.005 18.717 28 HZ PHE 4 HZ PHE 4 -43.912 -3.053 18.491 29 H LYS 5 H LYS 5 -37.143 -3.842 13.649 30 HA LYS 5 HA LYS 5 -35.618 -1.745 12.401 31 HB2 LYS 5 HB2 LYS 5 -33.637 -1.714 13.764 32 HB3 LYS 5 HB3 LYS 5 -35.002 -1.293 14.771 33 HG2 LYS 5 HG2 LYS 5 -35.028 -3.786 15.514 34 HG3 LYS 5 HG3 LYS 5 -33.438 -3.896 14.734 35 HD2 LYS 5 HD2 LYS 5 -32.764 -1.849 16.171 36 HD3 LYS 5 HD3 LYS 5 -34.305 -2.076 17.009 37 HE2 LYS 5 HE2 LYS 5 -32.938 -3.237 18.395 38 HE3 LYS 5 HE3 LYS 5 -33.487 -4.551 17.357 39 HZ1 LYS 5 HZ1 LYS 5 -31.021 -4.462 17.761 40 HZ2 LYS 5 HZ2 LYS 5 -30.944 -3.056 16.939 41 HZ3 LYS 5 HZ3 LYS 5 -31.394 -4.419 16.155 42 H LYS 6 H LYS 6 -33.829 -2.376 11.213 43 HA LYS 6 HA LYS 6 -33.288 -5.292 10.861 44 HB2 LYS 6 HB2 LYS 6 -34.580 -3.382 8.937 45 HB3 LYS 6 HB3 LYS 6 -33.317 -4.383 8.259 46 HG2 LYS 6 HG2 LYS 6 -35.654 -5.542 9.829 47 HG3 LYS 6 HG3 LYS 6 -35.659 -5.279 8.085 48 HD2 LYS 6 HD2 LYS 6 -33.515 -6.698 7.985 49 HD3 LYS 6 HD3 LYS 6 -33.873 -7.175 9.652 50 HE2 LYS 6 HE2 LYS 6 -36.068 -8.051 8.944 51 HE3 LYS 6 HE3 LYS 6 -35.793 -7.474 7.294 52 HZ1 LYS 6 HZ1 LYS 6 -33.953 -8.985 7.091 53 HZ2 LYS 6 HZ2 LYS 6 -35.296 -9.849 7.580 54 HZ3 LYS 6 HZ3 LYS 6 -34.101 -9.494 8.647 55 H GLN 7 H GLN 7 -31.262 -5.826 10.264 56 HA GLN 7 HA GLN 7 -29.357 -3.635 9.542 57 HB2 GLN 7 HB2 GLN 7 -29.456 -4.110 11.998 58 HB3 GLN 7 HB3 GLN 7 -28.885 -5.746 11.677 59 HG2 GLN 7 HG2 GLN 7 -26.766 -4.857 10.803 60 HG3 GLN 7 HG3 GLN 7 -27.377 -3.194 10.926 61 HE21 GLN 7 HE21 GLN 7 -27.607 -2.228 13.054 62 HE22 GLN 7 HE22 GLN 7 -26.993 -3.048 14.495 63 H GLU 8 H GLU 8 -29.433 -7.196 9.974 64 HA GLU 8 HA GLU 8 -28.551 -8.945 8.902 65 HB2 GLU 8 HB2 GLU 8 -29.005 -7.338 6.380 66 HB3 GLU 8 HB3 GLU 8 -28.800 -9.083 6.497 67 HG2 GLU 8 HG2 GLU 8 -30.865 -9.291 7.797 68 HG3 GLU 8 HG3 GLU 8 -31.083 -7.537 7.802 69 H LYS 9 H LYS 9 -26.889 -6.042 7.693 70 HA LYS 9 HA LYS 9 -24.335 -7.570 7.372 71 HB2 LYS 9 HB2 LYS 9 -25.462 -5.417 5.532 72 HB3 LYS 9 HB3 LYS 9 -23.902 -6.231 5.349 73 HG2 LYS 9 HG2 LYS 9 -25.125 -8.419 5.089 74 HG3 LYS 9 HG3 LYS 9 -26.644 -7.541 5.184 75 HD2 LYS 9 HD2 LYS 9 -26.224 -7.975 2.899 76 HD3 LYS 9 HD3 LYS 9 -26.026 -6.241 3.156 77 HE2 LYS 9 HE2 LYS 9 -23.603 -6.463 3.043 78 HE3 LYS 9 HE3 LYS 9 -23.719 -8.233 3.020 79 HZ1 LYS 9 HZ1 LYS 9 -23.466 -7.135 0.751 80 HZ2 LYS 9 HZ2 LYS 9 -24.988 -6.546 0.939 81 HZ3 LYS 9 HZ3 LYS 9 -24.760 -8.148 0.884 82 H THR 10 H THR 10 -22.488 -5.899 7.064 83 HA THR 10 HA THR 10 -21.150 -4.247 7.879 84 HB THR 10 HB THR 10 -22.148 -3.411 5.941 85 HG1 THR 10 HG1 THR 10 -22.246 -1.114 7.447 86 HG21 THR 10 HG21 THR 10 -23.949 -1.705 5.937 87 HG22 THR 10 HG22 THR 10 -24.323 -2.121 7.624 88 HG23 THR 10 HG23 THR 10 -24.516 -3.322 6.338 89 HA PRO 11 HA PRO 11 -22.227 -2.944 12.161 90 HB2 PRO 11 HB2 PRO 11 -20.220 -4.337 13.374 91 HB3 PRO 11 HB3 PRO 11 -21.859 -5.019 13.145 92 HG2 PRO 11 HG2 PRO 11 -19.409 -5.433 11.385 93 HG3 PRO 11 HG3 PRO 11 -20.497 -6.684 12.069 94 HD2 PRO 11 HD2 PRO 11 -20.805 -5.764 9.537 95 HD3 PRO 11 HD3 PRO 11 -22.220 -6.138 10.568 96 H LYS 12 H LYS 12 -20.645 -1.511 13.226 97 HA LYS 12 HA LYS 12 -18.341 -0.690 11.483 98 HB2 LYS 12 HB2 LYS 12 -20.248 0.947 13.179 99 HB3 LYS 12 HB3 LYS 12 -18.634 1.519 12.825 100 HG2 LYS 12 HG2 LYS 12 -20.101 2.511 11.255 101 HG3 LYS 12 HG3 LYS 12 -19.028 1.412 10.415 102 HD2 LYS 12 HD2 LYS 12 -21.242 1.335 9.473 103 HD3 LYS 12 HD3 LYS 12 -20.857 -0.229 10.175 104 HE2 LYS 12 HE2 LYS 12 -22.192 0.419 12.223 105 HE3 LYS 12 HE3 LYS 12 -22.583 1.955 11.432 106 HZ1 LYS 12 HZ1 LYS 12 -23.356 -0.749 10.492 107 HZ2 LYS 12 HZ2 LYS 12 -23.579 0.603 9.612 108 HZ3 LYS 12 HZ3 LYS 12 -24.358 0.418 11.073 109 H THR 13 H THR 13 -16.415 -0.136 12.329 110 HA THR 13 HA THR 13 -15.933 0.032 15.172 111 HB THR 13 HB THR 13 -15.727 -2.372 15.023 112 HG1 THR 13 HG1 THR 13 -13.079 -1.448 15.087 113 HG21 THR 13 HG21 THR 13 -15.089 -2.655 12.631 114 HG22 THR 13 HG22 THR 13 -14.021 -3.517 13.741 115 HG23 THR 13 HG23 THR 13 -13.477 -2.001 12.994 116 HA PRO 14 HA PRO 14 -12.555 2.525 13.378 117 HB2 PRO 14 HB2 PRO 14 -11.281 2.268 16.071 118 HB3 PRO 14 HB3 PRO 14 -11.638 3.744 15.118 119 HG2 PRO 14 HG2 PRO 14 -13.114 3.050 17.299 120 HG3 PRO 14 HG3 PRO 14 -13.880 3.773 15.840 121 HD2 PRO 14 HD2 PRO 14 -13.731 0.859 16.650 122 HD3 PRO 14 HD3 PRO 14 -15.142 1.810 16.076 123 H LYS 15 H LYS 15 -10.358 2.082 12.748 124 HA LYS 15 HA LYS 15 -8.893 -0.095 13.983 125 HB2 LYS 15 HB2 LYS 15 -8.380 -1.312 11.841 126 HB3 LYS 15 HB3 LYS 15 -9.963 -1.598 12.527 127 HG2 LYS 15 HG2 LYS 15 -9.690 0.537 10.407 128 HG3 LYS 15 HG3 LYS 15 -9.601 -1.151 9.914 129 HD2 LYS 15 HD2 LYS 15 -11.800 -1.641 10.559 130 HD3 LYS 15 HD3 LYS 15 -11.895 -0.286 11.672 131 HE2 LYS 15 HE2 LYS 15 -11.758 1.293 9.717 132 HE3 LYS 15 HE3 LYS 15 -11.872 -0.114 8.645 133 HZ1 LYS 15 HZ1 LYS 15 -14.024 -0.618 9.647 134 HZ2 LYS 15 HZ2 LYS 15 -14.047 0.925 9.074 135 HZ3 LYS 15 HZ3 LYS 15 -13.911 0.626 10.685 136 H GLY 16 H GLY 16 -6.774 0.014 13.822 137 HA2 GLY 16 HA2 GLY 16 -5.204 1.098 11.733 138 HA3 GLY 16 HA3 GLY 16 -5.376 2.345 12.970 139 HA PRO 17 HA PRO 17 -3.349 -1.138 15.463 140 HB2 PRO 17 HB2 PRO 17 -2.766 -3.623 14.454 141 HB3 PRO 17 HB3 PRO 17 -4.410 -3.120 14.936 142 HG2 PRO 17 HG2 PRO 17 -3.173 -3.030 12.163 143 HG3 PRO 17 HG3 PRO 17 -4.729 -3.786 12.650 144 HD2 PRO 17 HD2 PRO 17 -4.711 -1.279 11.637 145 HD3 PRO 17 HD3 PRO 17 -5.752 -1.697 13.008 146 H SER 18 H SER 18 -1.283 -2.280 15.985 147 HA SER 18 HA SER 18 1.059 -1.124 14.624 148 HB2 SER 18 HB2 SER 18 0.862 -2.985 17.020 149 HB3 SER 18 HB3 SER 18 2.344 -2.202 16.433 150 HG SER 18 HG SER 18 1.311 -0.191 16.750 151 H SER 19 H SER 19 -0.392 -2.885 12.957 152 HA SER 19 HA SER 19 1.556 -5.042 12.393 153 HB2 SER 19 HB2 SER 19 -1.446 -5.476 12.742 154 HB3 SER 19 HB3 SER 19 -0.330 -6.644 12.018 155 HG SER 19 HG SER 19 -0.383 -5.704 14.707 156 H VAL 20 H VAL 20 1.296 -5.935 10.194 157 HA VAL 20 HA VAL 20 0.840 -3.958 8.210 158 HB VAL 20 HB VAL 20 0.836 -6.976 7.819 159 HG11 VAL 20 HG11 VAL 20 0.085 -5.865 5.790 160 HG12 VAL 20 HG12 VAL 20 1.405 -4.675 5.903 161 HG13 VAL 20 HG13 VAL 20 1.750 -6.387 5.566 162 HG21 VAL 20 HG21 VAL 20 2.925 -6.318 8.931 163 HG22 VAL 20 HG22 VAL 20 3.267 -6.663 7.240 164 HG23 VAL 20 HG23 VAL 20 3.151 -4.978 7.792 165 H GLU 21 H GLU 21 -1.478 -6.023 9.764 166 HA GLU 21 HA GLU 21 -3.732 -5.933 8.110 167 HB2 GLU 21 HB2 GLU 21 -3.760 -5.356 11.082 168 HB3 GLU 21 HB3 GLU 21 -5.044 -6.066 10.115 169 HG2 GLU 21 HG2 GLU 21 -2.399 -7.342 10.902 170 HG3 GLU 21 HG3 GLU 21 -3.979 -7.716 11.552 171 H ASP 22 H ASP 22 -2.232 -3.190 9.796 172 HA ASP 22 HA ASP 22 -4.394 -1.281 9.628 173 HB2 ASP 22 HB2 ASP 22 -2.484 -0.972 11.140 174 HB3 ASP 22 HB3 ASP 22 -1.353 -1.031 9.791 175 H ILE 23 H ILE 23 -1.429 -1.459 7.640 176 HA ILE 23 HA ILE 23 -2.544 0.238 5.648 177 HB ILE 23 HB ILE 23 -0.179 0.080 6.168 178 HG12 ILE 23 HG12 ILE 23 -0.438 -0.593 3.237 179 HG13 ILE 23 HG13 ILE 23 -1.207 0.857 3.885 180 HG21 ILE 23 HG21 ILE 23 1.221 -1.745 5.206 181 HG22 ILE 23 HG22 ILE 23 0.114 -2.336 6.440 182 HG23 ILE 23 HG23 ILE 23 -0.247 -2.608 4.723 183 HD11 ILE 23 HD11 ILE 23 1.767 0.291 4.240 184 HD12 ILE 23 HD12 ILE 23 1.064 1.280 2.947 185 HD13 ILE 23 HD13 ILE 23 0.890 1.782 4.626 186 H LYS 24 H LYS 24 -2.670 -3.275 5.972 187 HA LYS 24 HA LYS 24 -3.833 -3.908 3.412 188 HB2 LYS 24 HB2 LYS 24 -4.311 -5.013 6.206 189 HB3 LYS 24 HB3 LYS 24 -5.174 -5.629 4.818 190 HG2 LYS 24 HG2 LYS 24 -2.145 -5.712 5.099 191 HG3 LYS 24 HG3 LYS 24 -3.260 -7.010 5.535 192 HD2 LYS 24 HD2 LYS 24 -4.112 -6.786 3.050 193 HD3 LYS 24 HD3 LYS 24 -2.599 -5.898 2.797 194 HE2 LYS 24 HE2 LYS 24 -2.185 -8.166 2.196 195 HE3 LYS 24 HE3 LYS 24 -1.358 -7.911 3.730 196 HZ1 LYS 24 HZ1 LYS 24 -2.731 -10.011 3.504 197 HZ2 LYS 24 HZ2 LYS 24 -4.096 -9.087 3.608 198 HZ3 LYS 24 HZ3 LYS 24 -3.041 -9.146 4.850 199 H ALA 25 H ALA 25 -5.665 -3.213 6.468 200 HA ALA 25 HA ALA 25 -8.155 -3.073 5.137 201 HB1 ALA 25 HB1 ALA 25 -8.938 -2.009 7.241 202 HB2 ALA 25 HB2 ALA 25 -7.915 -3.426 7.542 203 HB3 ALA 25 HB3 ALA 25 -7.248 -1.788 7.754 204 H LYS 26 H LYS 26 -5.899 -0.419 5.952 205 HA LYS 26 HA LYS 26 -7.572 1.696 4.960 206 HB2 LYS 26 HB2 LYS 26 -4.591 1.506 5.501 207 HB3 LYS 26 HB3 LYS 26 -5.410 3.018 5.084 208 HG2 LYS 26 HG2 LYS 26 -6.672 3.041 7.132 209 HG3 LYS 26 HG3 LYS 26 -6.393 1.340 7.425 210 HD2 LYS 26 HD2 LYS 26 -5.103 2.697 8.959 211 HD3 LYS 26 HD3 LYS 26 -4.101 1.698 7.917 212 HE2 LYS 26 HE2 LYS 26 -3.605 3.660 6.489 213 HE3 LYS 26 HE3 LYS 26 -4.524 4.698 7.595 214 HZ1 LYS 26 HZ1 LYS 26 -2.042 4.566 7.994 215 HZ2 LYS 26 HZ2 LYS 26 -2.255 3.000 8.482 216 HZ3 LYS 26 HZ3 LYS 26 -2.957 4.212 9.320 217 H MET 27 H MET 27 -5.278 -0.425 3.217 218 HA MET 27 HA MET 27 -5.540 1.073 0.722 219 HB2 MET 27 HB2 MET 27 -4.369 -1.638 1.367 220 HB3 MET 27 HB3 MET 27 -4.639 -1.091 -0.288 221 HG2 MET 27 HG2 MET 27 -3.330 0.983 0.192 222 HG3 MET 27 HG3 MET 27 -2.895 0.305 1.763 223 HE1 MET 27 HE1 MET 27 -0.399 0.712 1.195 224 HE2 MET 27 HE2 MET 27 0.477 -0.002 -0.176 225 HE3 MET 27 HE3 MET 27 -0.703 1.294 -0.455 226 H GLN 28 H GLN 28 -7.187 -1.908 1.989 227 HA GLN 28 HA GLN 28 -8.776 -2.206 -0.393 228 HB2 GLN 28 HB2 GLN 28 -9.120 -3.173 2.433 229 HB3 GLN 28 HB3 GLN 28 -10.451 -3.285 1.292 230 HG2 GLN 28 HG2 GLN 28 -9.255 -5.377 1.209 231 HG3 GLN 28 HG3 GLN 28 -9.083 -4.538 -0.331 232 HE21 GLN 28 HE21 GLN 28 -7.416 -5.157 2.763 233 HE22 GLN 28 HE22 GLN 28 -5.845 -4.650 2.137 234 H ALA 29 H ALA 29 -9.458 -0.362 2.647 235 HA ALA 29 HA ALA 29 -11.897 0.753 1.787 236 HB1 ALA 29 HB1 ALA 29 -9.705 1.951 3.537 237 HB2 ALA 29 HB2 ALA 29 -11.373 2.555 3.426 238 HB3 ALA 29 HB3 ALA 29 -11.056 0.935 4.079 239 H SER 30 H SER 30 -8.547 1.912 1.126 240 HA SER 30 HA SER 30 -9.218 4.260 -0.316 241 HB2 SER 30 HB2 SER 30 -6.843 2.421 -0.810 242 HB3 SER 30 HB3 SER 30 -7.039 4.050 -1.444 243 HG SER 30 HG SER 30 -6.936 3.330 1.311 244 H ILE 31 H ILE 31 -9.008 0.874 -1.594 245 HA ILE 31 HA ILE 31 -9.590 1.880 -4.287 246 HB ILE 31 HB ILE 31 -7.986 0.104 -3.975 247 HG12 ILE 31 HG12 ILE 31 -10.401 -0.757 -5.618 248 HG13 ILE 31 HG13 ILE 31 -9.173 0.418 -6.117 249 HG21 ILE 31 HG21 ILE 31 -8.599 -2.180 -3.405 250 HG22 ILE 31 HG22 ILE 31 -9.059 -1.093 -2.118 251 HG23 ILE 31 HG23 ILE 31 -10.307 -1.722 -3.214 252 HD11 ILE 31 HD11 ILE 31 -8.691 -1.694 -7.157 253 HD12 ILE 31 HD12 ILE 31 -7.445 -1.414 -5.921 254 HD13 ILE 31 HD13 ILE 31 -8.781 -2.557 -5.615 255 H GLU 32 H GLU 32 -11.579 0.110 -1.827 256 HA GLU 32 HA GLU 32 -13.808 0.144 -3.795 257 HB2 GLU 32 HB2 GLU 32 -15.041 -1.247 -2.324 258 HB3 GLU 32 HB3 GLU 32 -13.487 -1.944 -2.740 259 HG2 GLU 32 HG2 GLU 32 -12.762 -1.999 -0.613 260 HG3 GLU 32 HG3 GLU 32 -13.451 -0.417 -0.194 261 H LYS 33 H LYS 33 -12.880 2.181 -1.167 262 HA LYS 33 HA LYS 33 -15.447 3.675 -1.580 263 HB2 LYS 33 HB2 LYS 33 -14.056 3.179 1.078 264 HB3 LYS 33 HB3 LYS 33 -15.400 4.290 0.838 265 HG2 LYS 33 HG2 LYS 33 -15.548 1.289 0.343 266 HG3 LYS 33 HG3 LYS 33 -16.064 2.093 1.816 267 HD2 LYS 33 HD2 LYS 33 -17.802 3.319 0.674 268 HD3 LYS 33 HD3 LYS 33 -17.283 2.744 -0.910 269 HE2 LYS 33 HE2 LYS 33 -18.291 0.929 1.315 270 HE3 LYS 33 HE3 LYS 33 -19.306 1.591 0.028 271 HZ1 LYS 33 HZ1 LYS 33 -18.536 -0.636 -0.546 272 HZ2 LYS 33 HZ2 LYS 33 -16.982 -0.221 -0.364 273 HZ3 LYS 33 HZ3 LYS 33 -17.884 0.447 -1.588 274 H GLY 34 H GLY 34 -11.955 3.977 -1.205 275 HA2 GLY 34 HA2 GLY 34 -12.123 6.910 -1.592 276 HA3 GLY 34 HA3 GLY 34 -10.670 5.915 -1.574 277 H GLY 35 H GLY 35 -12.008 4.065 -3.626 278 HA2 GLY 35 HA2 GLY 35 -12.411 3.829 -5.871 279 HA3 GLY 35 HA3 GLY 35 -12.481 5.580 -6.052 280 H SER 36 H SER 36 -9.480 4.794 -4.618 281 HA SER 36 HA SER 36 -8.075 4.511 -7.225 282 HB2 SER 36 HB2 SER 36 -7.622 6.881 -5.385 283 HB3 SER 36 HB3 SER 36 -6.696 6.497 -6.838 284 HG SER 36 HG SER 36 -8.450 8.096 -7.021 285 H LEU 37 H LEU 37 -6.272 3.373 -7.087 286 HA LEU 37 HA LEU 37 -4.553 3.505 -4.682 287 HB2 LEU 37 HB2 LEU 37 -6.103 1.486 -4.629 288 HB3 LEU 37 HB3 LEU 37 -5.332 0.925 -6.106 289 HG LEU 37 HG LEU 37 -3.144 0.800 -4.832 290 HD11 LEU 37 HD11 LEU 37 -3.699 2.385 -2.965 291 HD12 LEU 37 HD12 LEU 37 -3.241 0.784 -2.365 292 HD13 LEU 37 HD13 LEU 37 -4.952 1.260 -2.410 293 HD21 LEU 37 HD21 LEU 37 -4.570 -1.185 -5.169 294 HD22 LEU 37 HD22 LEU 37 -5.482 -0.797 -3.698 295 HD23 LEU 37 HD23 LEU 37 -3.768 -1.244 -3.591 296 HA PRO 38 HA PRO 38 -1.573 4.318 -7.820 297 HB2 PRO 38 HB2 PRO 38 0.483 2.895 -6.132 298 HB3 PRO 38 HB3 PRO 38 0.580 4.509 -6.902 299 HG2 PRO 38 HG2 PRO 38 0.027 4.326 -4.274 300 HG3 PRO 38 HG3 PRO 38 -0.936 5.445 -5.293 301 HD2 PRO 38 HD2 PRO 38 -1.650 2.641 -4.383 302 HD3 PRO 38 HD3 PRO 38 -2.622 4.139 -4.326 303 H LYS 39 H LYS 39 -0.250 3.564 -9.491 304 HA LYS 39 HA LYS 39 -0.383 0.621 -10.102 305 HB2 LYS 39 HB2 LYS 39 -1.875 2.010 -11.452 306 HB3 LYS 39 HB3 LYS 39 -0.520 3.027 -11.959 307 HG2 LYS 39 HG2 LYS 39 0.491 1.154 -13.186 308 HG3 LYS 39 HG3 LYS 39 -0.694 0.030 -12.508 309 HD2 LYS 39 HD2 LYS 39 -1.301 0.518 -14.788 310 HD3 LYS 39 HD3 LYS 39 -2.499 1.215 -13.696 311 HE2 LYS 39 HE2 LYS 39 -1.287 3.441 -13.934 312 HE3 LYS 39 HE3 LYS 39 -0.269 2.691 -15.164 313 HZ1 LYS 39 HZ1 LYS 39 -2.164 3.842 -16.179 314 HZ2 LYS 39 HZ2 LYS 39 -3.222 2.949 -15.276 315 HZ3 LYS 39 HZ3 LYS 39 -2.309 2.239 -16.452 316 H VAL 40 H VAL 40 1.783 3.441 -10.171 317 HA VAL 40 HA VAL 40 4.003 1.740 -11.186 318 HB VAL 40 HB VAL 40 3.758 3.790 -12.368 319 HG11 VAL 40 HG11 VAL 40 4.193 5.243 -9.740 320 HG12 VAL 40 HG12 VAL 40 4.111 5.998 -11.345 321 HG13 VAL 40 HG13 VAL 40 2.677 5.220 -10.674 322 HG21 VAL 40 HG21 VAL 40 6.206 4.104 -10.588 323 HG22 VAL 40 HG22 VAL 40 6.078 2.954 -11.936 324 HG23 VAL 40 HG23 VAL 40 5.974 4.692 -12.241 325 H GLU 41 H GLU 41 5.833 1.281 -10.100 326 HA GLU 41 HA GLU 41 5.657 0.694 -7.399 327 HB2 GLU 41 HB2 GLU 41 7.979 0.056 -7.546 328 HB3 GLU 41 HB3 GLU 41 7.146 -0.337 -9.048 329 HG2 GLU 41 HG2 GLU 41 8.114 1.900 -9.967 330 HG3 GLU 41 HG3 GLU 41 9.160 1.882 -8.549 331 H ALA 42 H ALA 42 7.284 3.601 -8.740 332 HA ALA 42 HA ALA 42 8.334 4.474 -6.242 333 HB1 ALA 42 HB1 ALA 42 7.783 5.952 -8.846 334 HB2 ALA 42 HB2 ALA 42 8.756 6.590 -7.500 335 HB3 ALA 42 HB3 ALA 42 9.285 5.135 -8.366 336 H LYS 43 H LYS 43 5.258 5.338 -7.884 337 HA LYS 43 HA LYS 43 4.375 7.186 -5.808 338 HB2 LYS 43 HB2 LYS 43 2.756 5.648 -7.878 339 HB3 LYS 43 HB3 LYS 43 2.101 6.888 -6.815 340 HG2 LYS 43 HG2 LYS 43 4.341 7.382 -8.784 341 HG3 LYS 43 HG3 LYS 43 2.642 7.606 -9.171 342 HD2 LYS 43 HD2 LYS 43 3.905 9.102 -6.838 343 HD3 LYS 43 HD3 LYS 43 4.086 9.659 -8.498 344 HE2 LYS 43 HE2 LYS 43 1.591 9.644 -8.753 345 HE3 LYS 43 HE3 LYS 43 1.439 9.265 -7.031 346 HZ1 LYS 43 HZ1 LYS 43 1.300 11.700 -7.512 347 HZ2 LYS 43 HZ2 LYS 43 2.841 11.663 -8.109 348 HZ3 LYS 43 HZ3 LYS 43 2.552 11.355 -6.533 349 H PHE 44 H PHE 44 3.998 3.666 -6.354 350 HA PHE 44 HA PHE 44 2.151 3.279 -4.247 351 HB2 PHE 44 HB2 PHE 44 2.595 1.582 -5.951 352 HB3 PHE 44 HB3 PHE 44 4.248 1.396 -5.401 353 HD1 PHE 44 HD1 PHE 44 0.683 0.953 -4.331 354 HD2 PHE 44 HD2 PHE 44 4.800 -0.151 -3.675 355 HE1 PHE 44 HE1 PHE 44 -0.042 -0.838 -2.763 356 HE2 PHE 44 HE2 PHE 44 4.070 -1.942 -2.117 357 HZ PHE 44 HZ PHE 44 1.650 -2.296 -1.677 358 H ILE 45 H ILE 45 5.768 3.080 -4.163 359 HA ILE 45 HA ILE 45 6.029 2.723 -1.324 360 HB ILE 45 HB ILE 45 7.878 3.886 -3.428 361 HG12 ILE 45 HG12 ILE 45 7.894 1.228 -1.908 362 HG13 ILE 45 HG13 ILE 45 7.201 1.433 -3.511 363 HG21 ILE 45 HG21 ILE 45 9.711 3.658 -1.753 364 HG22 ILE 45 HG22 ILE 45 8.544 4.868 -1.256 365 HG23 ILE 45 HG23 ILE 45 8.518 3.257 -0.503 366 HD11 ILE 45 HD11 ILE 45 9.360 0.467 -3.782 367 HD12 ILE 45 HD12 ILE 45 9.442 2.138 -4.374 368 HD13 ILE 45 HD13 ILE 45 10.134 1.707 -2.786 369 H ASN 46 H ASN 46 5.884 5.799 -3.252 370 HA ASN 46 HA ASN 46 6.018 7.561 -1.043 371 HB2 ASN 46 HB2 ASN 46 6.037 8.926 -2.814 372 HB3 ASN 46 HB3 ASN 46 5.309 7.738 -3.867 373 HD21 ASN 46 HD21 ASN 46 2.904 7.583 -3.880 374 HD22 ASN 46 HD22 ASN 46 1.983 9.037 -3.563 375 H TYR 47 H TYR 47 3.166 5.790 -2.266 376 HA TYR 47 HA TYR 47 1.374 7.071 -0.412 377 HB2 TYR 47 HB2 TYR 47 0.674 6.129 -2.593 378 HB3 TYR 47 HB3 TYR 47 0.956 4.505 -1.961 379 HD1 TYR 47 HD2 TYR 47 -0.806 7.701 -0.978 380 HD2 TYR 47 HD1 TYR 47 -0.969 3.394 -1.133 381 HE1 TYR 47 HE2 TYR 47 -3.037 7.742 0.117 382 HE2 TYR 47 HE1 TYR 47 -3.223 3.444 -0.061 383 HH TYR 47 HH TYR 47 -4.964 4.826 0.705 384 H VAL 48 H VAL 48 3.210 3.997 -0.327 385 HA VAL 48 HA VAL 48 2.163 3.020 2.144 386 HB VAL 48 HB VAL 48 4.817 2.644 0.710 387 HG11 VAL 48 HG11 VAL 48 3.971 1.297 3.301 388 HG12 VAL 48 HG12 VAL 48 5.278 0.727 2.240 389 HG13 VAL 48 HG13 VAL 48 5.423 2.296 3.022 390 HG21 VAL 48 HG21 VAL 48 3.975 0.423 0.226 391 HG22 VAL 48 HG22 VAL 48 2.557 0.675 1.259 392 HG23 VAL 48 HG23 VAL 48 2.740 1.591 -0.250 393 H LYS 49 H LYS 49 4.947 5.230 1.562 394 HA LYS 49 HA LYS 49 5.494 5.648 4.368 395 HB2 LYS 49 HB2 LYS 49 6.109 7.281 1.876 396 HB3 LYS 49 HB3 LYS 49 6.606 7.772 3.502 397 HG2 LYS 49 HG2 LYS 49 7.833 5.647 3.801 398 HG3 LYS 49 HG3 LYS 49 7.387 5.133 2.166 399 HD2 LYS 49 HD2 LYS 49 8.653 6.921 1.170 400 HD3 LYS 49 HD3 LYS 49 8.882 7.716 2.742 401 HE2 LYS 49 HE2 LYS 49 10.174 5.692 3.514 402 HE3 LYS 49 HE3 LYS 49 10.084 5.049 1.872 403 HZ1 LYS 49 HZ1 LYS 49 12.167 6.315 2.315 404 HZ2 LYS 49 HZ2 LYS 49 11.275 7.690 2.553 405 HZ3 LYS 49 HZ3 LYS 49 11.307 6.973 1.092 406 H ASN 50 H ASN 50 3.476 7.556 2.106 407 HA ASN 50 HA ASN 50 2.453 9.430 3.975 408 HB2 ASN 50 HB2 ASN 50 2.103 9.820 1.681 409 HB3 ASN 50 HB3 ASN 50 1.498 8.198 1.385 410 HD21 ASN 50 HD21 ASN 50 -0.683 7.638 2.006 411 HD22 ASN 50 HD22 ASN 50 -1.841 8.956 2.247 412 H CYS 51 H CYS 51 1.399 6.062 3.421 413 HA CYS 51 HA CYS 51 -0.989 6.431 5.063 414 HB2 CYS 51 HB2 CYS 51 -0.820 5.184 2.858 415 HB3 CYS 51 HB3 CYS 51 0.063 3.912 3.718 416 HG CYS 51 HG CYS 51 -2.966 5.151 4.162 417 H PHE 52 H PHE 52 2.116 4.657 5.490 418 HA PHE 52 HA PHE 52 1.441 4.284 8.361 419 HB2 PHE 52 HB2 PHE 52 0.441 2.391 7.016 420 HB3 PHE 52 HB3 PHE 52 2.073 1.967 6.506 421 HD1 PHE 52 HD1 PHE 52 1.140 2.922 10.039 422 HD2 PHE 52 HD2 PHE 52 1.994 -0.276 7.271 423 HE1 PHE 52 HE1 PHE 52 1.219 1.315 11.911 424 HE2 PHE 52 HE2 PHE 52 2.028 -1.889 9.158 425 HZ PHE 52 HZ PHE 52 1.633 -1.096 11.478 426 H ARG 53 H ARG 53 3.951 4.213 5.868 427 HA ARG 53 HA ARG 53 6.221 3.899 5.876 428 HB2 ARG 53 HB2 ARG 53 5.979 5.103 8.638 429 HB3 ARG 53 HB3 ARG 53 7.520 4.627 7.919 430 HG2 ARG 53 HG2 ARG 53 7.093 6.141 5.993 431 HG3 ARG 53 HG3 ARG 53 5.610 6.693 6.790 432 HD2 ARG 53 HD2 ARG 53 8.389 6.930 7.995 433 HD3 ARG 53 HD3 ARG 53 7.610 8.205 7.063 434 HE ARG 53 HE ARG 53 6.917 7.305 9.795 435 HH11 ARG 53 HH11 ARG 53 6.064 9.592 7.190 436 HH12 ARG 53 HH12 ARG 53 5.026 10.449 8.333 437 HH21 ARG 53 HH21 ARG 53 5.349 8.382 10.944 438 HH22 ARG 53 HH22 ARG 53 4.666 9.845 10.247 439 H MET 54 H MET 54 6.448 1.819 5.540 440 HA MET 54 HA MET 54 6.281 -0.163 7.767 441 HB2 MET 54 HB2 MET 54 6.516 -0.463 4.742 442 HB3 MET 54 HB3 MET 54 6.454 -1.813 5.881 443 HG2 MET 54 HG2 MET 54 4.199 -1.184 6.577 444 HG3 MET 54 HG3 MET 54 4.257 0.264 5.567 445 HE1 MET 54 HE1 MET 54 3.897 -3.589 5.726 446 HE2 MET 54 HE2 MET 54 3.868 -4.084 4.019 447 HE3 MET 54 HE3 MET 54 5.381 -3.514 4.746 448 H THR 55 H THR 55 8.615 1.157 5.495 449 HA THR 55 HA THR 55 10.856 1.195 5.421 450 HB THR 55 HB THR 55 10.444 0.658 8.364 451 HG1 THR 55 HG1 THR 55 10.411 2.792 8.466 452 HG21 THR 55 HG21 THR 55 12.629 1.683 8.728 453 HG22 THR 55 HG22 THR 55 12.964 1.602 6.975 454 HG23 THR 55 HG23 THR 55 12.752 0.111 7.937 455 H ASP 56 H ASP 56 9.825 -1.902 6.861 456 HA ASP 56 HA ASP 56 12.318 -3.250 6.099 457 HB2 ASP 56 HB2 ASP 56 9.687 -4.465 6.963 458 HB3 ASP 56 HB3 ASP 56 11.256 -5.265 6.911 459 H GLN 57 H GLN 57 12.724 -3.623 3.999 460 HA GLN 57 HA GLN 57 10.807 -3.369 1.998 461 HB2 GLN 57 HB2 GLN 57 13.236 -3.007 1.728 462 HB3 GLN 57 HB3 GLN 57 13.494 -4.755 1.772 463 HG2 GLN 57 HG2 GLN 57 13.480 -3.894 -0.545 464 HG3 GLN 57 HG3 GLN 57 12.176 -5.038 -0.278 465 HE21 GLN 57 HE21 GLN 57 10.720 -4.284 -1.885 466 HE22 GLN 57 HE22 GLN 57 10.061 -2.657 -1.829 467 H GLU 58 H GLU 58 11.701 -6.335 3.699 468 HA GLU 58 HA GLU 58 10.522 -8.212 1.909 469 HB2 GLU 58 HB2 GLU 58 10.559 -9.749 3.799 470 HB3 GLU 58 HB3 GLU 58 12.053 -8.847 3.634 471 HG2 GLU 58 HG2 GLU 58 11.068 -7.240 5.465 472 HG3 GLU 58 HG3 GLU 58 9.918 -8.542 5.759 473 H ALA 59 H ALA 59 8.964 -6.348 4.587 474 HA ALA 59 HA ALA 59 6.329 -7.573 4.109 475 HB1 ALA 59 HB1 ALA 59 6.852 -6.661 6.312 476 HB2 ALA 59 HB2 ALA 59 7.056 -5.036 5.602 477 HB3 ALA 59 HB3 ALA 59 5.470 -5.855 5.540 478 H ILE 60 H ILE 60 8.112 -4.645 3.009 479 HA ILE 60 HA ILE 60 5.884 -3.463 1.637 480 HB ILE 60 HB ILE 60 8.862 -3.224 1.255 481 HG12 ILE 60 HG12 ILE 60 6.805 -1.316 2.453 482 HG13 ILE 60 HG13 ILE 60 7.834 -2.397 3.393 483 HG21 ILE 60 HG21 ILE 60 6.691 -1.537 -0.084 484 HG22 ILE 60 HG22 ILE 60 8.439 -1.221 -0.161 485 HG23 ILE 60 HG23 ILE 60 7.788 -2.654 -0.924 486 HD11 ILE 60 HD11 ILE 60 8.923 -0.303 3.448 487 HD12 ILE 60 HD12 ILE 60 9.843 -1.297 2.292 488 HD13 ILE 60 HD13 ILE 60 8.703 -0.044 1.709 489 H GLN 61 H GLN 61 8.359 -5.801 0.365 490 HA GLN 61 HA GLN 61 7.028 -5.908 -2.200 491 HB2 GLN 61 HB2 GLN 61 8.463 -7.753 -2.761 492 HB3 GLN 61 HB3 GLN 61 9.346 -6.412 -2.049 493 HG2 GLN 61 HG2 GLN 61 10.388 -8.137 -1.003 494 HG3 GLN 61 HG3 GLN 61 9.161 -7.760 0.178 495 HE21 GLN 61 HE21 GLN 61 8.123 -9.578 0.991 496 HE22 GLN 61 HE22 GLN 61 8.086 -11.138 0.195 497 H ASP 62 H ASP 62 6.511 -7.765 0.823 498 HA ASP 62 HA ASP 62 4.606 -9.568 -0.398 499 HB2 ASP 62 HB2 ASP 62 5.654 -9.936 1.825 500 HB3 ASP 62 HB3 ASP 62 4.759 -8.560 2.465 501 H LEU 63 H LEU 63 4.344 -6.242 0.853 502 HA LEU 63 HA LEU 63 1.509 -6.081 0.473 503 HB2 LEU 63 HB2 LEU 63 3.423 -4.539 1.766 504 HB3 LEU 63 HB3 LEU 63 2.971 -3.515 0.428 505 HG LEU 63 HG LEU 63 1.678 -3.010 2.422 506 HD11 LEU 63 HD11 LEU 63 0.500 -2.742 0.270 507 HD12 LEU 63 HD12 LEU 63 -0.602 -3.126 1.599 508 HD13 LEU 63 HD13 LEU 63 -0.165 -4.380 0.422 509 HD21 LEU 63 HD21 LEU 63 0.183 -4.541 3.506 510 HD22 LEU 63 HD22 LEU 63 1.789 -5.294 3.424 511 HD23 LEU 63 HD23 LEU 63 0.490 -5.812 2.320 512 H TRP 64 H TRP 64 4.302 -5.339 -1.583 513 HA TRP 64 HA TRP 64 2.881 -4.049 -3.704 514 HB2 TRP 64 HB2 TRP 64 5.348 -3.966 -3.267 515 HB3 TRP 64 HB3 TRP 64 5.462 -5.633 -3.790 516 HD1 TRP 64 HD1 TRP 64 7.035 -5.292 -5.702 517 HE1 TRP 64 HE1 TRP 64 7.068 -4.040 -7.919 518 HE3 TRP 64 HE3 TRP 64 2.704 -2.544 -5.177 519 HZ2 TRP 64 HZ2 TRP 64 5.426 -2.147 -9.324 520 HZ3 TRP 64 HZ3 TRP 64 1.993 -1.019 -6.985 521 HH2 TRP 64 HH2 TRP 64 3.340 -0.800 -9.056 522 H GLN 65 H GLN 65 3.901 -7.513 -3.326 523 HA GLN 65 HA GLN 65 2.284 -8.316 -5.604 524 HB2 GLN 65 HB2 GLN 65 3.664 -9.867 -3.406 525 HB3 GLN 65 HB3 GLN 65 2.560 -10.632 -4.551 526 HG2 GLN 65 HG2 GLN 65 4.435 -10.933 -5.767 527 HG3 GLN 65 HG3 GLN 65 4.037 -9.351 -6.382 528 HE21 GLN 65 HE21 GLN 65 5.642 -7.752 -6.174 529 HE22 GLN 65 HE22 GLN 65 7.102 -7.989 -5.212 530 H TRP 66 H TRP 66 1.380 -7.740 -2.201 531 HA TRP 66 HA TRP 66 -1.269 -8.852 -2.510 532 HB2 TRP 66 HB2 TRP 66 -0.462 -8.191 -0.316 533 HB3 TRP 66 HB3 TRP 66 -0.362 -6.511 -0.813 534 HD1 TRP 66 HD1 TRP 66 -2.596 -5.112 -0.994 535 HE1 TRP 66 HE1 TRP 66 -5.016 -5.493 -0.193 536 HE3 TRP 66 HE3 TRP 66 -2.270 -10.091 0.155 537 HZ2 TRP 66 HZ2 TRP 66 -6.550 -7.656 0.941 538 HZ3 TRP 66 HZ3 TRP 66 -4.228 -11.282 1.123 539 HH2 TRP 66 HH2 TRP 66 -6.364 -10.072 1.515 540 H ARG 67 H ARG 67 0.018 -5.566 -3.309 541 HA ARG 67 HA ARG 67 -2.379 -4.511 -4.436 542 HB2 ARG 67 HB2 ARG 67 -0.175 -3.335 -3.875 543 HB3 ARG 67 HB3 ARG 67 0.450 -3.904 -5.409 544 HG2 ARG 67 HG2 ARG 67 -1.969 -2.079 -5.110 545 HG3 ARG 67 HG3 ARG 67 -0.314 -1.550 -5.346 546 HD2 ARG 67 HD2 ARG 67 -0.913 -1.418 -7.503 547 HD3 ARG 67 HD3 ARG 67 -0.429 -3.103 -7.511 548 HE ARG 67 HE ARG 67 -2.720 -3.778 -7.532 549 HH11 ARG 67 HH11 ARG 67 -2.506 -0.270 -7.880 550 HH12 ARG 67 HH12 ARG 67 -4.136 -0.206 -8.476 551 HH21 ARG 67 HH21 ARG 67 -4.706 -3.550 -8.329 552 HH22 ARG 67 HH22 ARG 67 -5.425 -1.968 -8.505 553 H LYS 68 H LYS 68 0.201 -6.422 -6.071 554 HA LYS 68 HA LYS 68 -1.129 -6.572 -8.628 555 HB2 LYS 68 HB2 LYS 68 0.615 -8.742 -7.387 556 HB3 LYS 68 HB3 LYS 68 0.261 -8.501 -9.088 557 HG2 LYS 68 HG2 LYS 68 2.042 -6.804 -7.319 558 HG3 LYS 68 HG3 LYS 68 2.487 -7.800 -8.689 559 HD2 LYS 68 HD2 LYS 68 1.201 -6.255 -10.181 560 HD3 LYS 68 HD3 LYS 68 0.896 -5.194 -8.790 561 HE2 LYS 68 HE2 LYS 68 3.270 -4.809 -8.449 562 HE3 LYS 68 HE3 LYS 68 3.694 -6.073 -9.609 563 HZ1 LYS 68 HZ1 LYS 68 3.918 -3.961 -10.673 564 HZ2 LYS 68 HZ2 LYS 68 2.373 -3.500 -10.290 565 HZ3 LYS 68 HZ3 LYS 68 2.637 -4.724 -11.347 566 H SER 69 H SER 69 -1.774 -8.294 -5.660 567 HA SER 69 HA SER 69 -3.503 -10.289 -6.967 568 HB2 SER 69 HB2 SER 69 -2.762 -10.038 -4.041 569 HB3 SER 69 HB3 SER 69 -3.546 -11.411 -4.843 570 HG SER 69 HG SER 69 -0.907 -10.432 -5.117 571 H LEU 70 H LEU 70 -4.399 -7.514 -7.025 572 HA LEU 70 HA LEU 70 -7.090 -7.853 -5.754 573 HB2 LEU 70 HB2 LEU 70 -5.488 -5.314 -6.272 574 HB3 LEU 70 HB3 LEU 70 -7.188 -5.319 -5.832 575 HG LEU 70 HG LEU 70 -4.959 -6.412 -4.069 576 HD11 LEU 70 HD11 LEU 70 -4.838 -3.968 -4.343 577 HD12 LEU 70 HD12 LEU 70 -5.370 -4.403 -2.706 578 HD13 LEU 70 HD13 LEU 70 -6.554 -3.826 -3.897 579 HD21 LEU 70 HD21 LEU 70 -7.916 -5.933 -3.521 580 HD22 LEU 70 HD22 LEU 70 -6.701 -6.361 -2.298 581 HD23 LEU 70 HD23 LEU 70 -7.099 -7.510 -3.581 Start of MODEL 10 1 H GLN 1 H1 GLN 1 -38.332 -10.271 9.857 2 HA GLN 1 HA GLN 1 -37.801 -11.221 12.579 3 HB2 GLN 1 HB2 GLN 1 -38.291 -12.966 10.749 4 HB3 GLN 1 HB3 GLN 1 -36.739 -12.501 10.053 5 HG2 GLN 1 HG2 GLN 1 -36.338 -14.406 11.428 6 HG3 GLN 1 HG3 GLN 1 -35.673 -13.045 12.315 7 HE21 GLN 1 HE21 GLN 1 -37.957 -15.668 12.419 8 HE22 GLN 1 HE22 GLN 1 -38.578 -15.309 14.030 9 H GLU 2 H GLU 2 -36.154 -10.037 9.567 10 HA GLU 2 HA GLU 2 -34.207 -8.649 11.349 11 HB2 GLU 2 HB2 GLU 2 -32.336 -9.350 10.051 12 HB3 GLU 2 HB3 GLU 2 -33.184 -10.779 10.617 13 HG2 GLU 2 HG2 GLU 2 -34.084 -11.252 8.441 14 HG3 GLU 2 HG3 GLU 2 -33.668 -9.652 7.821 15 H SER 3 H SER 3 -36.497 -8.061 9.111 16 HA SER 3 HA SER 3 -35.059 -6.473 7.188 17 HB2 SER 3 HB2 SER 3 -38.035 -6.521 7.739 18 HB3 SER 3 HB3 SER 3 -37.234 -5.923 6.273 19 HG SER 3 HG SER 3 -36.398 -8.063 5.962 20 H PHE 4 H PHE 4 -35.785 -5.632 10.369 21 HA PHE 4 HA PHE 4 -36.621 -2.982 10.257 22 HB2 PHE 4 HB2 PHE 4 -35.760 -2.695 12.414 23 HB3 PHE 4 HB3 PHE 4 -36.229 -4.364 12.320 24 HD1 PHE 4 HD1 PHE 4 -34.299 -6.121 11.791 25 HD2 PHE 4 HD2 PHE 4 -33.671 -2.147 13.334 26 HE1 PHE 4 HE1 PHE 4 -32.113 -6.826 12.711 27 HE2 PHE 4 HE2 PHE 4 -31.503 -2.865 14.290 28 HZ PHE 4 HZ PHE 4 -30.717 -5.206 13.984 29 H LYS 5 H LYS 5 -33.422 -4.211 9.465 30 HA LYS 5 HA LYS 5 -32.650 -1.549 8.463 31 HB2 LYS 5 HB2 LYS 5 -30.718 -1.310 9.671 32 HB3 LYS 5 HB3 LYS 5 -31.898 -1.874 10.869 33 HG2 LYS 5 HG2 LYS 5 -30.933 -4.127 10.824 34 HG3 LYS 5 HG3 LYS 5 -29.815 -3.656 9.528 35 HD2 LYS 5 HD2 LYS 5 -28.788 -1.951 10.994 36 HD3 LYS 5 HD3 LYS 5 -29.908 -2.360 12.290 37 HE2 LYS 5 HE2 LYS 5 -27.731 -3.343 12.699 38 HE3 LYS 5 HE3 LYS 5 -28.938 -4.617 12.460 39 HZ1 LYS 5 HZ1 LYS 5 -27.131 -3.668 10.297 40 HZ2 LYS 5 HZ2 LYS 5 -28.109 -4.989 10.271 41 HZ3 LYS 5 HZ3 LYS 5 -26.812 -4.978 11.266 42 H LYS 6 H LYS 6 -30.972 -1.526 7.000 43 HA LYS 6 HA LYS 6 -30.535 -4.030 5.407 44 HB2 LYS 6 HB2 LYS 6 -31.767 -1.438 4.368 45 HB3 LYS 6 HB3 LYS 6 -31.436 -2.895 3.429 46 HG2 LYS 6 HG2 LYS 6 -33.081 -4.155 4.823 47 HG3 LYS 6 HG3 LYS 6 -33.454 -2.661 5.702 48 HD2 LYS 6 HD2 LYS 6 -34.162 -1.604 3.541 49 HD3 LYS 6 HD3 LYS 6 -33.876 -3.151 2.735 50 HE2 LYS 6 HE2 LYS 6 -36.218 -3.017 3.199 51 HE3 LYS 6 HE3 LYS 6 -35.531 -4.239 4.270 52 HZ1 LYS 6 HZ1 LYS 6 -35.610 -2.615 6.082 53 HZ2 LYS 6 HZ2 LYS 6 -37.087 -2.724 5.394 54 HZ3 LYS 6 HZ3 LYS 6 -36.125 -1.433 5.060 55 H GLN 7 H GLN 7 -29.444 -0.754 6.144 56 HA GLN 7 HA GLN 7 -27.201 -1.083 4.187 57 HB2 GLN 7 HB2 GLN 7 -27.414 1.172 3.623 58 HB3 GLN 7 HB3 GLN 7 -29.060 0.569 3.775 59 HG2 GLN 7 HG2 GLN 7 -28.962 1.537 6.213 60 HG3 GLN 7 HG3 GLN 7 -27.516 2.371 5.671 61 HE21 GLN 7 HE21 GLN 7 -28.880 4.248 6.330 62 HE22 GLN 7 HE22 GLN 7 -29.965 4.928 5.093 63 H GLU 8 H GLU 8 -27.601 -0.975 7.526 64 HA GLU 8 HA GLU 8 -24.868 0.089 7.836 65 HB2 GLU 8 HB2 GLU 8 -25.376 1.204 9.894 66 HB3 GLU 8 HB3 GLU 8 -26.348 1.850 8.578 67 HG2 GLU 8 HG2 GLU 8 -28.327 0.615 9.410 68 HG3 GLU 8 HG3 GLU 8 -27.343 -0.125 10.678 69 H LYS 9 H LYS 9 -23.505 -1.012 9.099 70 HA LYS 9 HA LYS 9 -24.474 -3.528 10.417 71 HB2 LYS 9 HB2 LYS 9 -22.249 -4.415 10.131 72 HB3 LYS 9 HB3 LYS 9 -22.937 -3.927 8.583 73 HG2 LYS 9 HG2 LYS 9 -21.557 -1.849 8.614 74 HG3 LYS 9 HG3 LYS 9 -20.937 -2.292 10.208 75 HD2 LYS 9 HD2 LYS 9 -19.261 -2.839 8.600 76 HD3 LYS 9 HD3 LYS 9 -19.928 -4.350 9.230 77 HE2 LYS 9 HE2 LYS 9 -21.420 -4.455 7.178 78 HE3 LYS 9 HE3 LYS 9 -20.594 -3.012 6.567 79 HZ1 LYS 9 HZ1 LYS 9 -19.366 -5.645 7.136 80 HZ2 LYS 9 HZ2 LYS 9 -18.499 -4.313 6.747 81 HZ3 LYS 9 HZ3 LYS 9 -19.543 -4.956 5.650 82 H THR 10 H THR 10 -23.035 -0.460 11.031 83 HA THR 10 HA THR 10 -22.176 0.538 12.894 84 HB THR 10 HB THR 10 -23.626 0.315 14.933 85 HG1 THR 10 HG1 THR 10 -24.313 -1.851 14.360 86 HG21 THR 10 HG21 THR 10 -24.034 1.983 13.147 87 HG22 THR 10 HG22 THR 10 -25.535 1.384 13.869 88 HG23 THR 10 HG23 THR 10 -25.030 0.798 12.271 89 HA PRO 11 HA PRO 11 -19.615 -3.111 14.070 90 HB2 PRO 11 HB2 PRO 11 -17.537 -0.932 13.829 91 HB3 PRO 11 HB3 PRO 11 -17.398 -2.661 13.348 92 HG2 PRO 11 HG2 PRO 11 -17.841 -0.807 11.456 93 HG3 PRO 11 HG3 PRO 11 -18.870 -2.282 11.460 94 HD2 PRO 11 HD2 PRO 11 -19.484 0.448 12.651 95 HD3 PRO 11 HD3 PRO 11 -20.490 -0.534 11.559 96 H LYS 12 H LYS 12 -19.681 0.109 15.528 97 HA LYS 12 HA LYS 12 -18.745 1.040 17.391 98 HB2 LYS 12 HB2 LYS 12 -19.896 -1.457 18.682 99 HB3 LYS 12 HB3 LYS 12 -19.546 0.070 19.501 100 HG2 LYS 12 HG2 LYS 12 -21.572 -0.253 17.253 101 HG3 LYS 12 HG3 LYS 12 -21.963 -0.262 18.964 102 HD2 LYS 12 HD2 LYS 12 -21.482 2.022 19.256 103 HD3 LYS 12 HD3 LYS 12 -20.495 2.126 17.789 104 HE2 LYS 12 HE2 LYS 12 -22.427 1.742 16.370 105 HE3 LYS 12 HE3 LYS 12 -23.487 1.621 17.793 106 HZ1 LYS 12 HZ1 LYS 12 -21.921 4.029 17.032 107 HZ2 LYS 12 HZ2 LYS 12 -22.917 3.909 18.339 108 HZ3 LYS 12 HZ3 LYS 12 -23.539 3.824 16.804 109 H THR 13 H THR 13 -16.884 -0.066 15.929 110 HA THR 13 HA THR 13 -14.648 -0.921 17.658 111 HB THR 13 HB THR 13 -15.812 -2.617 15.391 112 HG1 THR 13 HG1 THR 13 -16.946 -3.057 17.135 113 HG21 THR 13 HG21 THR 13 -13.446 -2.895 15.275 114 HG22 THR 13 HG22 THR 13 -14.104 -4.311 16.087 115 HG23 THR 13 HG23 THR 13 -13.308 -3.059 17.056 116 HA PRO 14 HA PRO 14 -13.041 1.525 14.229 117 HB2 PRO 14 HB2 PRO 14 -10.379 1.632 14.760 118 HB3 PRO 14 HB3 PRO 14 -11.613 2.414 15.795 119 HG2 PRO 14 HG2 PRO 14 -10.260 -0.259 16.215 120 HG3 PRO 14 HG3 PRO 14 -10.507 1.055 17.401 121 HD2 PRO 14 HD2 PRO 14 -12.180 -1.117 17.221 122 HD3 PRO 14 HD3 PRO 14 -12.756 0.502 17.702 123 H LYS 15 H LYS 15 -12.133 -1.780 14.570 124 HA LYS 15 HA LYS 15 -11.123 -3.333 13.326 125 HB2 LYS 15 HB2 LYS 15 -12.026 -3.832 11.200 126 HB3 LYS 15 HB3 LYS 15 -13.277 -3.409 12.336 127 HG2 LYS 15 HG2 LYS 15 -12.283 -1.266 10.440 128 HG3 LYS 15 HG3 LYS 15 -13.255 -2.593 9.807 129 HD2 LYS 15 HD2 LYS 15 -15.040 -2.093 11.498 130 HD3 LYS 15 HD3 LYS 15 -14.102 -0.712 12.044 131 HE2 LYS 15 HE2 LYS 15 -15.768 0.109 10.529 132 HE3 LYS 15 HE3 LYS 15 -14.206 0.251 9.715 133 HZ1 LYS 15 HZ1 LYS 15 -14.750 -1.634 8.356 134 HZ2 LYS 15 HZ2 LYS 15 -16.116 -0.722 8.377 135 HZ3 LYS 15 HZ3 LYS 15 -16.021 -2.067 9.287 136 H GLY 16 H GLY 16 -9.412 -1.462 13.838 137 HA2 GLY 16 HA2 GLY 16 -7.590 -1.128 11.443 138 HA3 GLY 16 HA3 GLY 16 -7.947 0.158 12.592 139 HA PRO 17 HA PRO 17 -5.424 -3.339 15.011 140 HB2 PRO 17 HB2 PRO 17 -3.894 -4.270 12.580 141 HB3 PRO 17 HB3 PRO 17 -4.370 -5.191 14.044 142 HG2 PRO 17 HG2 PRO 17 -5.766 -5.499 11.758 143 HG3 PRO 17 HG3 PRO 17 -6.628 -5.350 13.324 144 HD2 PRO 17 HD2 PRO 17 -6.174 -3.233 11.228 145 HD3 PRO 17 HD3 PRO 17 -7.642 -3.617 12.159 146 H SER 18 H SER 18 -2.702 -3.692 15.009 147 HA SER 18 HA SER 18 -1.640 -0.902 14.772 148 HB2 SER 18 HB2 SER 18 -0.136 -1.509 16.608 149 HB3 SER 18 HB3 SER 18 -1.854 -1.620 17.026 150 HG SER 18 HG SER 18 -1.091 -3.420 17.817 151 H SER 19 H SER 19 -1.002 -4.216 13.766 152 HA SER 19 HA SER 19 1.606 -3.432 12.584 153 HB2 SER 19 HB2 SER 19 1.152 -5.605 13.826 154 HB3 SER 19 HB3 SER 19 0.272 -6.133 12.376 155 HG SER 19 HG SER 19 2.997 -5.360 12.679 156 H VAL 20 H VAL 20 1.530 -5.207 10.325 157 HA VAL 20 HA VAL 20 0.629 -3.386 8.291 158 HB VAL 20 HB VAL 20 1.297 -6.308 7.808 159 HG11 VAL 20 HG11 VAL 20 0.472 -5.097 5.835 160 HG12 VAL 20 HG12 VAL 20 1.669 -3.809 6.099 161 HG13 VAL 20 HG13 VAL 20 2.184 -5.454 5.669 162 HG21 VAL 20 HG21 VAL 20 3.655 -5.590 7.499 163 HG22 VAL 20 HG22 VAL 20 3.240 -3.986 8.126 164 HG23 VAL 20 HG23 VAL 20 3.143 -5.428 9.170 165 H GLU 21 H GLU 21 -1.004 -6.040 9.899 166 HA GLU 21 HA GLU 21 -3.133 -6.572 8.137 167 HB2 GLU 21 HB2 GLU 21 -3.432 -6.206 11.137 168 HB3 GLU 21 HB3 GLU 21 -4.436 -7.188 10.078 169 HG2 GLU 21 HG2 GLU 21 -1.567 -7.705 10.920 170 HG3 GLU 21 HG3 GLU 21 -2.994 -8.586 11.431 171 H ASP 22 H ASP 22 -2.626 -3.644 10.073 172 HA ASP 22 HA ASP 22 -5.254 -2.441 9.558 173 HB2 ASP 22 HB2 ASP 22 -3.919 -1.929 11.526 174 HB3 ASP 22 HB3 ASP 22 -2.596 -1.342 10.538 175 H ILE 23 H ILE 23 -1.978 -2.176 8.121 176 HA ILE 23 HA ILE 23 -2.702 -0.166 6.177 177 HB ILE 23 HB ILE 23 -0.465 -2.238 6.140 178 HG12 ILE 23 HG12 ILE 23 -0.488 0.697 6.989 179 HG13 ILE 23 HG13 ILE 23 -0.399 -0.679 8.086 180 HG21 ILE 23 HG21 ILE 23 -0.945 -1.380 3.864 181 HG22 ILE 23 HG22 ILE 23 -0.823 0.286 4.465 182 HG23 ILE 23 HG23 ILE 23 0.602 -0.782 4.446 183 HD11 ILE 23 HD11 ILE 23 1.794 -1.328 7.046 184 HD12 ILE 23 HD12 ILE 23 1.757 0.217 6.153 185 HD13 ILE 23 HD13 ILE 23 1.787 0.216 7.919 186 H LYS 24 H LYS 24 -2.826 -3.744 6.148 187 HA LYS 24 HA LYS 24 -3.945 -4.007 3.487 188 HB2 LYS 24 HB2 LYS 24 -4.303 -5.757 5.956 189 HB3 LYS 24 HB3 LYS 24 -4.821 -6.188 4.334 190 HG2 LYS 24 HG2 LYS 24 -1.917 -5.694 5.094 191 HG3 LYS 24 HG3 LYS 24 -2.740 -7.254 5.103 192 HD2 LYS 24 HD2 LYS 24 -3.236 -6.961 2.644 193 HD3 LYS 24 HD3 LYS 24 -2.284 -5.465 2.679 194 HE2 LYS 24 HE2 LYS 24 -0.921 -7.300 1.827 195 HE3 LYS 24 HE3 LYS 24 -0.277 -6.738 3.375 196 HZ1 LYS 24 HZ1 LYS 24 -1.307 -8.649 4.438 197 HZ2 LYS 24 HZ2 LYS 24 -0.331 -9.138 3.227 198 HZ3 LYS 24 HZ3 LYS 24 -1.973 -9.150 3.027 199 H ALA 25 H ALA 25 -5.634 -3.854 6.691 200 HA ALA 25 HA ALA 25 -8.242 -3.949 5.615 201 HB1 ALA 25 HB1 ALA 25 -7.261 -2.607 8.173 202 HB2 ALA 25 HB2 ALA 25 -8.931 -3.098 7.818 203 HB3 ALA 25 HB3 ALA 25 -7.669 -4.329 7.986 204 H LYS 26 H LYS 26 -6.186 -1.111 6.237 205 HA LYS 26 HA LYS 26 -8.106 0.879 5.399 206 HB2 LYS 26 HB2 LYS 26 -5.122 0.880 5.904 207 HB3 LYS 26 HB3 LYS 26 -6.039 2.335 5.458 208 HG2 LYS 26 HG2 LYS 26 -7.438 2.107 7.472 209 HG3 LYS 26 HG3 LYS 26 -6.665 0.580 7.874 210 HD2 LYS 26 HD2 LYS 26 -5.697 2.285 9.234 211 HD3 LYS 26 HD3 LYS 26 -4.472 1.726 8.090 212 HE2 LYS 26 HE2 LYS 26 -4.885 3.736 6.680 213 HE3 LYS 26 HE3 LYS 26 -6.225 4.207 7.740 214 HZ1 LYS 26 HZ1 LYS 26 -3.349 4.300 8.325 215 HZ2 LYS 26 HZ2 LYS 26 -4.446 4.228 9.556 216 HZ3 LYS 26 HZ3 LYS 26 -4.516 5.475 8.492 217 H MET 27 H MET 27 -5.530 -0.883 3.627 218 HA MET 27 HA MET 27 -5.950 0.470 1.106 219 HB2 MET 27 HB2 MET 27 -4.896 -2.274 1.821 220 HB3 MET 27 HB3 MET 27 -5.133 -1.771 0.148 221 HG2 MET 27 HG2 MET 27 -3.491 -0.141 2.111 222 HG3 MET 27 HG3 MET 27 -2.810 -1.434 1.128 223 HE1 MET 27 HE1 MET 27 -0.997 0.357 0.341 224 HE2 MET 27 HE2 MET 27 -1.415 1.902 -0.437 225 HE3 MET 27 HE3 MET 27 -1.821 1.631 1.272 226 H GLN 28 H GLN 28 -7.452 -2.565 2.403 227 HA GLN 28 HA GLN 28 -9.346 -2.916 0.331 228 HB2 GLN 28 HB2 GLN 28 -9.143 -3.705 3.219 229 HB3 GLN 28 HB3 GLN 28 -10.739 -3.762 2.512 230 HG2 GLN 28 HG2 GLN 28 -9.477 -5.934 2.379 231 HG3 GLN 28 HG3 GLN 28 -10.198 -5.341 0.889 232 HE21 GLN 28 HE21 GLN 28 -7.090 -5.506 2.647 233 HE22 GLN 28 HE22 GLN 28 -6.102 -5.415 1.179 234 H ALA 29 H ALA 29 -9.737 -0.952 3.322 235 HA ALA 29 HA ALA 29 -12.340 -0.052 2.771 236 HB1 ALA 29 HB1 ALA 29 -11.827 1.761 4.357 237 HB2 ALA 29 HB2 ALA 29 -11.239 0.199 4.948 238 HB3 ALA 29 HB3 ALA 29 -10.097 1.375 4.261 239 H SER 30 H SER 30 -9.188 1.446 1.874 240 HA SER 30 HA SER 30 -10.247 3.720 0.508 241 HB2 SER 30 HB2 SER 30 -7.617 2.261 0.048 242 HB3 SER 30 HB3 SER 30 -8.020 3.901 -0.500 243 HG SER 30 HG SER 30 -7.680 2.921 2.135 244 H ILE 31 H ILE 31 -9.679 0.403 -0.610 245 HA ILE 31 HA ILE 31 -10.195 0.867 -3.409 246 HB ILE 31 HB ILE 31 -10.237 -1.622 -1.697 247 HG12 ILE 31 HG12 ILE 31 -8.320 -0.750 -3.892 248 HG13 ILE 31 HG13 ILE 31 -8.084 -0.342 -2.201 249 HG21 ILE 31 HG21 ILE 31 -11.787 -2.015 -3.571 250 HG22 ILE 31 HG22 ILE 31 -10.564 -1.417 -4.723 251 HG23 ILE 31 HG23 ILE 31 -10.309 -2.921 -3.815 252 HD11 ILE 31 HD11 ILE 31 -8.047 -2.758 -1.606 253 HD12 ILE 31 HD12 ILE 31 -8.130 -3.164 -3.337 254 HD13 ILE 31 HD13 ILE 31 -6.736 -2.275 -2.701 255 H GLU 32 H GLU 32 -12.396 -0.329 -0.768 256 HA GLU 32 HA GLU 32 -14.670 -0.234 -2.565 257 HB2 GLU 32 HB2 GLU 32 -16.059 -0.530 -0.608 258 HB3 GLU 32 HB3 GLU 32 -14.761 -1.724 -0.718 259 HG2 GLU 32 HG2 GLU 32 -13.464 -0.538 0.960 260 HG3 GLU 32 HG3 GLU 32 -14.701 0.727 1.087 261 H LYS 33 H LYS 33 -13.235 2.228 -0.473 262 HA LYS 33 HA LYS 33 -15.253 4.256 -0.981 263 HB2 LYS 33 HB2 LYS 33 -12.374 4.389 -0.053 264 HB3 LYS 33 HB3 LYS 33 -13.385 5.804 -0.240 265 HG2 LYS 33 HG2 LYS 33 -13.988 3.518 1.673 266 HG3 LYS 33 HG3 LYS 33 -13.232 5.057 2.083 267 HD2 LYS 33 HD2 LYS 33 -15.384 6.182 1.196 268 HD3 LYS 33 HD3 LYS 33 -16.085 4.546 1.186 269 HE2 LYS 33 HE2 LYS 33 -15.373 4.338 3.623 270 HE3 LYS 33 HE3 LYS 33 -14.897 6.040 3.572 271 HZ1 LYS 33 HZ1 LYS 33 -17.264 6.546 2.999 272 HZ2 LYS 33 HZ2 LYS 33 -17.073 5.855 4.472 273 HZ3 LYS 33 HZ3 LYS 33 -17.634 4.962 3.194 274 H GLY 34 H GLY 34 -12.926 2.924 -3.112 275 HA2 GLY 34 HA2 GLY 34 -13.904 3.842 -5.368 276 HA3 GLY 34 HA3 GLY 34 -13.001 5.287 -4.934 277 H GLY 35 H GLY 35 -10.848 3.276 -3.789 278 HA2 GLY 35 HA2 GLY 35 -8.965 2.180 -4.517 279 HA3 GLY 35 HA3 GLY 35 -9.782 1.844 -6.045 280 H SER 36 H SER 36 -9.360 5.187 -5.095 281 HA SER 36 HA SER 36 -7.766 5.767 -7.460 282 HB2 SER 36 HB2 SER 36 -8.718 7.587 -5.225 283 HB3 SER 36 HB3 SER 36 -8.087 8.094 -6.807 284 HG SER 36 HG SER 36 -10.458 7.938 -6.497 285 H LEU 37 H LEU 37 -6.046 4.367 -6.756 286 HA LEU 37 HA LEU 37 -4.056 5.515 -4.849 287 HB2 LEU 37 HB2 LEU 37 -4.997 2.667 -5.371 288 HB3 LEU 37 HB3 LEU 37 -3.589 3.021 -4.391 289 HG LEU 37 HG LEU 37 -6.386 4.037 -3.717 290 HD11 LEU 37 HD11 LEU 37 -6.345 1.577 -3.717 291 HD12 LEU 37 HD12 LEU 37 -6.456 2.214 -2.067 292 HD13 LEU 37 HD13 LEU 37 -4.909 1.590 -2.673 293 HD21 LEU 37 HD21 LEU 37 -5.437 4.366 -1.473 294 HD22 LEU 37 HD22 LEU 37 -4.519 5.299 -2.656 295 HD23 LEU 37 HD23 LEU 37 -3.855 3.776 -2.026 296 HA PRO 38 HA PRO 38 -0.990 5.373 -7.887 297 HB2 PRO 38 HB2 PRO 38 0.870 3.702 -6.247 298 HB3 PRO 38 HB3 PRO 38 1.130 5.324 -6.950 299 HG2 PRO 38 HG2 PRO 38 0.636 4.996 -4.286 300 HG3 PRO 38 HG3 PRO 38 -0.073 6.365 -5.188 301 HD2 PRO 38 HD2 PRO 38 -1.357 3.737 -4.420 302 HD3 PRO 38 HD3 PRO 38 -2.015 5.394 -4.303 303 H LYS 39 H LYS 39 -0.087 4.315 -9.624 304 HA LYS 39 HA LYS 39 -0.443 1.362 -9.861 305 HB2 LYS 39 HB2 LYS 39 -1.550 1.658 -12.001 306 HB3 LYS 39 HB3 LYS 39 -2.430 2.340 -10.655 307 HG2 LYS 39 HG2 LYS 39 -2.744 3.871 -12.339 308 HG3 LYS 39 HG3 LYS 39 -1.531 4.643 -11.351 309 HD2 LYS 39 HD2 LYS 39 0.223 4.070 -12.939 310 HD3 LYS 39 HD3 LYS 39 -0.872 3.039 -13.876 311 HE2 LYS 39 HE2 LYS 39 -1.316 6.023 -13.442 312 HE3 LYS 39 HE3 LYS 39 -0.385 5.380 -14.797 313 HZ1 LYS 39 HZ1 LYS 39 -3.223 4.662 -14.289 314 HZ2 LYS 39 HZ2 LYS 39 -2.326 4.199 -15.560 315 HZ3 LYS 39 HZ3 LYS 39 -2.718 5.776 -15.403 316 H VAL 40 H VAL 40 1.935 3.240 -9.647 317 HA VAL 40 HA VAL 40 3.592 1.600 -11.432 318 HB VAL 40 HB VAL 40 3.097 3.845 -12.550 319 HG11 VAL 40 HG11 VAL 40 3.344 5.291 -10.550 320 HG12 VAL 40 HG12 VAL 40 5.093 4.935 -10.532 321 HG13 VAL 40 HG13 VAL 40 4.367 5.788 -11.903 322 HG21 VAL 40 HG21 VAL 40 5.973 3.052 -12.068 323 HG22 VAL 40 HG22 VAL 40 4.883 2.451 -13.340 324 HG23 VAL 40 HG23 VAL 40 5.408 4.138 -13.350 325 H GLU 41 H GLU 41 5.609 1.066 -10.487 326 HA GLU 41 HA GLU 41 5.266 0.745 -7.741 327 HB2 GLU 41 HB2 GLU 41 7.276 -0.483 -7.628 328 HB3 GLU 41 HB3 GLU 41 6.486 -0.838 -9.157 329 HG2 GLU 41 HG2 GLU 41 8.077 0.682 -10.310 330 HG3 GLU 41 HG3 GLU 41 8.886 1.010 -8.773 331 H ALA 42 H ALA 42 7.552 3.128 -9.211 332 HA ALA 42 HA ALA 42 8.756 3.868 -6.763 333 HB1 ALA 42 HB1 ALA 42 9.423 5.930 -7.960 334 HB2 ALA 42 HB2 ALA 42 9.647 4.487 -8.965 335 HB3 ALA 42 HB3 ALA 42 8.259 5.562 -9.251 336 H LYS 43 H LYS 43 5.860 5.301 -8.321 337 HA LYS 43 HA LYS 43 5.244 7.248 -6.281 338 HB2 LYS 43 HB2 LYS 43 3.397 5.733 -8.186 339 HB3 LYS 43 HB3 LYS 43 2.883 7.074 -7.176 340 HG2 LYS 43 HG2 LYS 43 4.995 7.275 -9.349 341 HG3 LYS 43 HG3 LYS 43 3.286 7.633 -9.573 342 HD2 LYS 43 HD2 LYS 43 5.168 9.120 -7.697 343 HD3 LYS 43 HD3 LYS 43 4.672 9.666 -9.290 344 HE2 LYS 43 HE2 LYS 43 2.788 9.277 -6.914 345 HE3 LYS 43 HE3 LYS 43 3.485 10.803 -7.441 346 HZ1 LYS 43 HZ1 LYS 43 1.498 9.182 -8.929 347 HZ2 LYS 43 HZ2 LYS 43 2.336 10.416 -9.627 348 HZ3 LYS 43 HZ3 LYS 43 1.346 10.701 -8.360 349 H PHE 44 H PHE 44 4.301 3.810 -6.674 350 HA PHE 44 HA PHE 44 2.500 3.780 -4.473 351 HB2 PHE 44 HB2 PHE 44 2.531 2.071 -6.268 352 HB3 PHE 44 HB3 PHE 44 4.081 1.486 -5.690 353 HD1 PHE 44 HD2 PHE 44 0.537 2.060 -4.540 354 HD2 PHE 44 HD1 PHE 44 4.145 -0.260 -4.085 355 HE1 PHE 44 HE2 PHE 44 -0.626 0.568 -2.934 356 HE2 PHE 44 HE1 PHE 44 2.972 -1.768 -2.504 357 HZ PHE 44 HZ PHE 44 0.584 -1.353 -1.922 358 H ILE 45 H ILE 45 5.954 2.768 -4.584 359 HA ILE 45 HA ILE 45 6.221 2.098 -1.825 360 HB ILE 45 HB ILE 45 8.205 3.085 -3.908 361 HG12 ILE 45 HG12 ILE 45 7.819 0.300 -2.722 362 HG13 ILE 45 HG13 ILE 45 7.004 0.825 -4.185 363 HG21 ILE 45 HG21 ILE 45 8.791 2.021 -1.107 364 HG22 ILE 45 HG22 ILE 45 10.007 2.230 -2.383 365 HG23 ILE 45 HG23 ILE 45 9.186 3.638 -1.746 366 HD11 ILE 45 HD11 ILE 45 10.010 0.536 -3.840 367 HD12 ILE 45 HD12 ILE 45 8.924 -0.445 -4.832 368 HD13 ILE 45 HD13 ILE 45 9.217 1.249 -5.268 369 H ASN 46 H ASN 46 6.855 5.220 -3.475 370 HA ASN 46 HA ASN 46 7.452 6.830 -1.236 371 HB2 ASN 46 HB2 ASN 46 7.827 7.885 -3.242 372 HB3 ASN 46 HB3 ASN 46 6.442 7.161 -4.030 373 HD21 ASN 46 HD21 ASN 46 4.330 8.044 -3.785 374 HD22 ASN 46 HD22 ASN 46 4.199 9.765 -3.402 375 H TYR 47 H TYR 47 4.202 5.953 -2.496 376 HA TYR 47 HA TYR 47 2.884 7.697 -0.609 377 HB2 TYR 47 HB2 TYR 47 2.083 7.044 -2.936 378 HB3 TYR 47 HB3 TYR 47 1.581 5.508 -2.231 379 HD1 TYR 47 HD1 TYR 47 1.244 9.237 -1.876 380 HD2 TYR 47 HD2 TYR 47 -0.590 5.392 -1.174 381 HE1 TYR 47 HE1 TYR 47 -0.843 10.362 -1.132 382 HE2 TYR 47 HE2 TYR 47 -2.674 6.528 -0.438 383 HH TYR 47 HH TYR 47 -3.757 8.521 -0.174 384 H VAL 48 H VAL 48 3.573 4.162 -0.605 385 HA VAL 48 HA VAL 48 2.074 3.647 1.826 386 HB VAL 48 HB VAL 48 4.447 2.160 0.639 387 HG11 VAL 48 HG11 VAL 48 4.364 1.657 3.053 388 HG12 VAL 48 HG12 VAL 48 2.613 1.414 2.973 389 HG13 VAL 48 HG13 VAL 48 3.717 0.284 2.155 390 HG21 VAL 48 HG21 VAL 48 1.457 1.524 0.691 391 HG22 VAL 48 HG22 VAL 48 2.358 2.088 -0.730 392 HG23 VAL 48 HG23 VAL 48 2.733 0.515 -0.028 393 H LYS 49 H LYS 49 5.508 4.589 1.260 394 HA LYS 49 HA LYS 49 6.218 4.666 4.052 395 HB2 LYS 49 HB2 LYS 49 7.341 6.047 1.585 396 HB3 LYS 49 HB3 LYS 49 8.075 6.186 3.194 397 HG2 LYS 49 HG2 LYS 49 8.604 3.881 3.318 398 HG3 LYS 49 HG3 LYS 49 7.519 3.448 1.999 399 HD2 LYS 49 HD2 LYS 49 9.812 3.313 1.244 400 HD3 LYS 49 HD3 LYS 49 8.929 4.575 0.372 401 HE2 LYS 49 HE2 LYS 49 9.960 6.303 1.827 402 HE3 LYS 49 HE3 LYS 49 10.893 5.046 2.658 403 HZ1 LYS 49 HZ1 LYS 49 12.142 6.118 0.853 404 HZ2 LYS 49 HZ2 LYS 49 11.033 5.641 -0.245 405 HZ3 LYS 49 HZ3 LYS 49 11.961 4.517 0.547 406 H ASN 50 H ASN 50 4.600 7.076 2.025 407 HA ASN 50 HA ASN 50 4.420 9.064 4.145 408 HB2 ASN 50 HB2 ASN 50 4.097 9.893 1.960 409 HB3 ASN 50 HB3 ASN 50 3.010 8.591 1.507 410 HD21 ASN 50 HD21 ASN 50 0.833 8.874 1.776 411 HD22 ASN 50 HD22 ASN 50 0.135 10.241 2.635 412 H CYS 51 H CYS 51 2.215 6.383 3.119 413 HA CYS 51 HA CYS 51 0.099 7.098 4.891 414 HB2 CYS 51 HB2 CYS 51 0.817 4.491 3.493 415 HB3 CYS 51 HB3 CYS 51 -0.637 4.695 4.480 416 HG CYS 51 HG CYS 51 0.303 6.338 1.771 417 H PHE 52 H PHE 52 2.957 5.003 5.534 418 HA PHE 52 HA PHE 52 2.350 5.406 8.344 419 HB2 PHE 52 HB2 PHE 52 1.066 3.281 7.658 420 HB3 PHE 52 HB3 PHE 52 2.637 2.522 7.458 421 HD1 PHE 52 HD1 PHE 52 0.808 4.685 9.981 422 HD2 PHE 52 HD2 PHE 52 3.423 1.318 9.336 423 HE1 PHE 52 HE1 PHE 52 0.977 4.347 12.427 424 HE2 PHE 52 HE2 PHE 52 3.591 0.987 11.794 425 HZ PHE 52 HZ PHE 52 2.379 2.506 13.342 426 H ARG 53 H ARG 53 3.949 4.604 9.820 427 HA ARG 53 HA ARG 53 6.703 5.129 8.935 428 HB2 ARG 53 HB2 ARG 53 5.391 4.651 11.622 429 HB3 ARG 53 HB3 ARG 53 7.113 4.995 11.421 430 HG2 ARG 53 HG2 ARG 53 4.862 6.889 10.560 431 HG3 ARG 53 HG3 ARG 53 5.781 6.982 12.055 432 HD2 ARG 53 HD2 ARG 53 6.858 8.543 10.767 433 HD3 ARG 53 HD3 ARG 53 7.894 7.125 10.577 434 HE ARG 53 HE ARG 53 5.865 7.484 8.449 435 HH11 ARG 53 HH11 ARG 53 8.969 8.666 9.506 436 HH12 ARG 53 HH12 ARG 53 9.298 9.363 7.930 437 HH21 ARG 53 HH21 ARG 53 6.662 7.873 6.342 438 HH22 ARG 53 HH22 ARG 53 8.189 8.692 6.172 439 H MET 54 H MET 54 6.379 3.217 7.545 440 HA MET 54 HA MET 54 8.048 1.054 8.694 441 HB2 MET 54 HB2 MET 54 5.540 0.670 7.015 442 HB3 MET 54 HB3 MET 54 6.833 -0.536 7.059 443 HG2 MET 54 HG2 MET 54 6.620 -0.816 9.453 444 HG3 MET 54 HG3 MET 54 5.449 0.492 9.563 445 HE1 MET 54 HE1 MET 54 3.371 -2.758 10.408 446 HE2 MET 54 HE2 MET 54 5.090 -2.499 10.766 447 HE3 MET 54 HE3 MET 54 3.925 -1.177 11.003 448 H THR 55 H THR 55 9.762 0.655 7.548 449 HA THR 55 HA THR 55 9.778 0.956 4.596 450 HB THR 55 HB THR 55 12.303 1.352 4.792 451 HG1 THR 55 HG1 THR 55 12.957 2.380 6.649 452 HG21 THR 55 HG21 THR 55 12.040 3.778 5.048 453 HG22 THR 55 HG22 THR 55 10.421 3.551 5.743 454 HG23 THR 55 HG23 THR 55 10.746 3.096 4.053 455 H ASP 56 H ASP 56 9.131 -1.191 6.590 456 HA ASP 56 HA ASP 56 11.007 -3.333 6.484 457 HB2 ASP 56 HB2 ASP 56 7.962 -3.271 6.590 458 HB3 ASP 56 HB3 ASP 56 8.937 -4.721 6.822 459 H GLN 57 H GLN 57 11.892 -3.933 4.491 460 HA GLN 57 HA GLN 57 10.379 -3.678 2.085 461 HB2 GLN 57 HB2 GLN 57 13.099 -4.429 2.797 462 HB3 GLN 57 HB3 GLN 57 12.488 -5.420 1.475 463 HG2 GLN 57 HG2 GLN 57 12.415 -2.371 1.570 464 HG3 GLN 57 HG3 GLN 57 13.630 -3.328 0.736 465 HE21 GLN 57 HE21 GLN 57 11.676 -1.343 -0.437 466 HE22 GLN 57 HE22 GLN 57 10.794 -2.295 -1.620 467 H GLU 58 H GLU 58 10.521 -6.338 4.329 468 HA GLU 58 HA GLU 58 9.244 -8.320 2.698 469 HB2 GLU 58 HB2 GLU 58 8.438 -9.257 4.839 470 HB3 GLU 58 HB3 GLU 58 10.172 -8.964 4.807 471 HG2 GLU 58 HG2 GLU 58 9.967 -7.010 6.222 472 HG3 GLU 58 HG3 GLU 58 8.207 -7.033 6.112 473 H ALA 59 H ALA 59 7.867 -5.505 4.466 474 HA ALA 59 HA ALA 59 5.115 -6.362 3.849 475 HB1 ALA 59 HB1 ALA 59 6.105 -3.807 5.149 476 HB2 ALA 59 HB2 ALA 59 4.425 -4.370 5.005 477 HB3 ALA 59 HB3 ALA 59 5.581 -5.282 6.007 478 H ILE 60 H ILE 60 7.505 -3.956 2.700 479 HA ILE 60 HA ILE 60 5.813 -2.629 0.812 480 HB ILE 60 HB ILE 60 8.787 -3.144 0.775 481 HG12 ILE 60 HG12 ILE 60 7.267 -0.575 1.419 482 HG13 ILE 60 HG13 ILE 60 7.738 -1.723 2.663 483 HG21 ILE 60 HG21 ILE 60 8.079 -2.702 -1.532 484 HG22 ILE 60 HG22 ILE 60 7.043 -1.359 -1.000 485 HG23 ILE 60 HG23 ILE 60 8.806 -1.227 -0.919 486 HD11 ILE 60 HD11 ILE 60 10.119 -1.472 2.043 487 HD12 ILE 60 HD12 ILE 60 9.671 -0.231 0.848 488 HD13 ILE 60 HD13 ILE 60 9.371 0.048 2.566 489 H GLN 61 H GLN 61 7.905 -5.571 0.308 490 HA GLN 61 HA GLN 61 6.754 -6.000 -2.297 491 HB2 GLN 61 HB2 GLN 61 7.983 -8.006 -2.419 492 HB3 GLN 61 HB3 GLN 61 8.979 -6.785 -1.643 493 HG2 GLN 61 HG2 GLN 61 9.420 -8.645 -0.353 494 HG3 GLN 61 HG3 GLN 61 8.201 -7.830 0.599 495 HE21 GLN 61 HE21 GLN 61 6.774 -9.310 1.481 496 HE22 GLN 61 HE22 GLN 61 6.169 -10.737 0.634 497 H ASP 62 H ASP 62 5.628 -7.058 0.929 498 HA ASP 62 HA ASP 62 3.728 -8.995 -0.080 499 HB2 ASP 62 HB2 ASP 62 4.464 -8.902 2.256 500 HB3 ASP 62 HB3 ASP 62 3.707 -7.323 2.460 501 H LEU 63 H LEU 63 3.440 -5.514 0.750 502 HA LEU 63 HA LEU 63 0.738 -5.244 -0.134 503 HB2 LEU 63 HB2 LEU 63 2.991 -3.439 0.616 504 HB3 LEU 63 HB3 LEU 63 1.747 -2.732 -0.394 505 HG LEU 63 HG LEU 63 1.373 -2.334 2.020 506 HD11 LEU 63 HD11 LEU 63 -0.815 -4.053 0.766 507 HD12 LEU 63 HD12 LEU 63 -0.526 -2.334 0.431 508 HD13 LEU 63 HD13 LEU 63 -1.005 -2.854 2.052 509 HD21 LEU 63 HD21 LEU 63 0.855 -5.319 2.240 510 HD22 LEU 63 HD22 LEU 63 0.525 -4.092 3.485 511 HD23 LEU 63 HD23 LEU 63 2.189 -4.424 2.983 512 H TRP 64 H TRP 64 3.865 -5.078 -1.861 513 HA TRP 64 HA TRP 64 2.781 -4.392 -4.406 514 HB2 TRP 64 HB2 TRP 64 5.282 -4.673 -3.577 515 HB3 TRP 64 HB3 TRP 64 5.094 -6.297 -4.173 516 HD1 TRP 64 HD1 TRP 64 3.183 -4.615 -6.675 517 HE1 TRP 64 HE1 TRP 64 4.590 -3.707 -8.618 518 HE3 TRP 64 HE3 TRP 64 7.816 -4.910 -4.523 519 HZ2 TRP 64 HZ2 TRP 64 7.386 -3.489 -9.273 520 HZ3 TRP 64 HZ3 TRP 64 9.834 -4.324 -5.821 521 HH2 TRP 64 HH2 TRP 64 9.630 -3.634 -8.218 522 H GLN 65 H GLN 65 3.083 -7.653 -2.827 523 HA GLN 65 HA GLN 65 2.043 -9.086 -5.098 524 HB2 GLN 65 HB2 GLN 65 1.614 -9.845 -2.182 525 HB3 GLN 65 HB3 GLN 65 1.452 -10.867 -3.595 526 HG2 GLN 65 HG2 GLN 65 3.947 -9.939 -2.221 527 HG3 GLN 65 HG3 GLN 65 3.479 -11.546 -2.707 528 HE21 GLN 65 HE21 GLN 65 5.229 -8.726 -3.602 529 HE22 GLN 65 HE22 GLN 65 5.702 -9.238 -5.225 530 H TRP 66 H TRP 66 0.459 -7.334 -2.453 531 HA TRP 66 HA TRP 66 -2.248 -7.879 -3.340 532 HB2 TRP 66 HB2 TRP 66 -1.231 -7.064 -1.012 533 HB3 TRP 66 HB3 TRP 66 -1.553 -5.474 -1.679 534 HD1 TRP 66 HD1 TRP 66 -4.056 -4.702 -1.698 535 HE1 TRP 66 HE1 TRP 66 -6.289 -5.708 -0.877 536 HE3 TRP 66 HE3 TRP 66 -2.527 -9.503 -0.786 537 HZ2 TRP 66 HZ2 TRP 66 -7.225 -8.191 0.208 538 HZ3 TRP 66 HZ3 TRP 66 -4.138 -11.191 0.062 539 HH2 TRP 66 HH2 TRP 66 -6.486 -10.545 0.574 540 H ARG 67 H ARG 67 0.123 -5.936 -4.757 541 HA ARG 67 HA ARG 67 -1.928 -4.583 -6.484 542 HB2 ARG 67 HB2 ARG 67 0.994 -3.841 -6.063 543 HB3 ARG 67 HB3 ARG 67 -0.100 -3.050 -7.183 544 HG2 ARG 67 HG2 ARG 67 -0.369 -2.994 -4.147 545 HG3 ARG 67 HG3 ARG 67 0.340 -1.746 -5.163 546 HD2 ARG 67 HD2 ARG 67 -1.856 -1.018 -4.600 547 HD3 ARG 67 HD3 ARG 67 -1.860 -1.453 -6.313 548 HE ARG 67 HE ARG 67 -2.654 -3.691 -4.672 549 HH11 ARG 67 HH11 ARG 67 -4.037 -0.774 -6.124 550 HH12 ARG 67 HH12 ARG 67 -5.572 -1.628 -6.343 551 HH21 ARG 67 HH21 ARG 67 -4.533 -4.587 -5.069 552 HH22 ARG 67 HH22 ARG 67 -5.853 -3.628 -5.756 553 H LYS 68 H LYS 68 0.003 -7.245 -6.398 554 HA LYS 68 HA LYS 68 0.489 -7.382 -9.316 555 HB2 LYS 68 HB2 LYS 68 2.165 -8.244 -7.607 556 HB3 LYS 68 HB3 LYS 68 0.999 -9.499 -7.179 557 HG2 LYS 68 HG2 LYS 68 1.034 -10.183 -9.665 558 HG3 LYS 68 HG3 LYS 68 2.403 -9.071 -9.839 559 HD2 LYS 68 HD2 LYS 68 3.534 -10.406 -7.938 560 HD3 LYS 68 HD3 LYS 68 2.210 -11.579 -8.112 561 HE2 LYS 68 HE2 LYS 68 2.821 -11.686 -10.608 562 HE3 LYS 68 HE3 LYS 68 4.251 -10.726 -10.211 563 HZ1 LYS 68 HZ1 LYS 68 4.846 -12.572 -8.609 564 HZ2 LYS 68 HZ2 LYS 68 4.855 -12.992 -10.209 565 HZ3 LYS 68 HZ3 LYS 68 3.611 -13.456 -9.264 566 H SER 69 H SER 69 -1.210 -9.310 -6.843 567 HA SER 69 HA SER 69 -3.556 -9.723 -8.559 568 HB2 SER 69 HB2 SER 69 -1.841 -12.071 -7.645 569 HB3 SER 69 HB3 SER 69 -3.444 -12.194 -8.390 570 HG SER 69 HG SER 69 -1.188 -12.207 -9.618 571 H LEU 70 H LEU 70 -5.300 -9.759 -7.299 572 HA LEU 70 HA LEU 70 -5.026 -10.051 -4.333 573 HB2 LEU 70 HB2 LEU 70 -5.575 -7.816 -5.540 574 HB3 LEU 70 HB3 LEU 70 -7.172 -8.496 -5.821 575 HG LEU 70 HG LEU 70 -5.839 -8.082 -3.115 576 HD11 LEU 70 HD11 LEU 70 -7.438 -6.205 -2.892 577 HD12 LEU 70 HD12 LEU 70 -8.016 -6.501 -4.545 578 HD13 LEU 70 HD13 LEU 70 -6.344 -5.975 -4.259 579 HD21 LEU 70 HD21 LEU 70 -8.149 -8.375 -2.198 580 HD22 LEU 70 HD22 LEU 70 -7.498 -9.851 -2.908 581 HD23 LEU 70 HD23 LEU 70 -8.694 -8.889 -3.810 Start of MODEL 11 1 H GLN 1 H1 GLN 1 -25.893 -20.734 32.805 2 HA GLN 1 HA GLN 1 -26.215 -18.878 31.349 3 HB2 GLN 1 HB2 GLN 1 -26.009 -17.350 33.963 4 HB3 GLN 1 HB3 GLN 1 -25.717 -16.574 32.409 5 HG2 GLN 1 HG2 GLN 1 -27.958 -17.023 31.643 6 HG3 GLN 1 HG3 GLN 1 -28.318 -18.026 33.041 7 HE21 GLN 1 HE21 GLN 1 -29.715 -15.565 32.101 8 HE22 GLN 1 HE22 GLN 1 -29.680 -14.524 33.516 9 H GLU 2 H GLU 2 -24.394 -17.740 30.397 10 HA GLU 2 HA GLU 2 -21.720 -18.569 31.489 11 HB2 GLU 2 HB2 GLU 2 -22.677 -17.687 28.745 12 HB3 GLU 2 HB3 GLU 2 -20.987 -17.571 29.212 13 HG2 GLU 2 HG2 GLU 2 -21.060 -19.592 28.116 14 HG3 GLU 2 HG3 GLU 2 -21.049 -20.045 29.816 15 H SER 3 H SER 3 -23.744 -15.738 31.112 16 HA SER 3 HA SER 3 -21.660 -13.998 32.293 17 HB2 SER 3 HB2 SER 3 -22.092 -12.290 30.466 18 HB3 SER 3 HB3 SER 3 -21.160 -13.715 29.991 19 HG SER 3 HG SER 3 -23.952 -13.331 29.494 20 H PHE 4 H PHE 4 -22.464 -11.877 32.903 21 HA PHE 4 HA PHE 4 -24.967 -11.911 34.259 22 HB2 PHE 4 HB2 PHE 4 -23.188 -10.478 34.988 23 HB3 PHE 4 HB3 PHE 4 -23.096 -9.675 33.426 24 HD1 PHE 4 HD1 PHE 4 -25.635 -10.334 36.159 25 HD2 PHE 4 HD2 PHE 4 -24.091 -7.577 33.219 26 HE1 PHE 4 HE1 PHE 4 -27.295 -8.629 36.873 27 HE2 PHE 4 HE2 PHE 4 -25.742 -5.876 33.950 28 HZ PHE 4 HZ PHE 4 -27.366 -6.413 35.747 29 H LYS 5 H LYS 5 -24.144 -10.138 31.213 30 HA LYS 5 HA LYS 5 -26.902 -10.823 30.274 31 HB2 LYS 5 HB2 LYS 5 -25.489 -8.196 29.719 32 HB3 LYS 5 HB3 LYS 5 -26.961 -8.772 28.907 33 HG2 LYS 5 HG2 LYS 5 -28.036 -8.967 31.203 34 HG3 LYS 5 HG3 LYS 5 -26.625 -8.160 31.876 35 HD2 LYS 5 HD2 LYS 5 -28.620 -6.985 29.902 36 HD3 LYS 5 HD3 LYS 5 -28.488 -6.634 31.630 37 HE2 LYS 5 HE2 LYS 5 -26.113 -5.776 31.148 38 HE3 LYS 5 HE3 LYS 5 -26.521 -5.914 29.433 39 HZ1 LYS 5 HZ1 LYS 5 -27.792 -4.124 31.435 40 HZ2 LYS 5 HZ2 LYS 5 -28.480 -4.418 29.977 41 HZ3 LYS 5 HZ3 LYS 5 -27.007 -3.697 30.054 42 H LYS 6 H LYS 6 -24.330 -9.414 28.227 43 HA LYS 6 HA LYS 6 -23.552 -12.098 27.290 44 HB2 LYS 6 HB2 LYS 6 -24.254 -11.823 24.998 45 HB3 LYS 6 HB3 LYS 6 -25.614 -11.816 26.104 46 HG2 LYS 6 HG2 LYS 6 -25.913 -9.413 25.867 47 HG3 LYS 6 HG3 LYS 6 -24.393 -9.265 24.975 48 HD2 LYS 6 HD2 LYS 6 -26.310 -9.160 23.451 49 HD3 LYS 6 HD3 LYS 6 -25.291 -10.568 23.111 50 HE2 LYS 6 HE2 LYS 6 -26.903 -11.956 24.494 51 HE3 LYS 6 HE3 LYS 6 -27.961 -10.543 24.594 52 HZ1 LYS 6 HZ1 LYS 6 -28.510 -12.119 22.791 53 HZ2 LYS 6 HZ2 LYS 6 -27.085 -11.875 22.083 54 HZ3 LYS 6 HZ3 LYS 6 -28.172 -10.625 22.162 55 H GLN 7 H GLN 7 -22.172 -9.650 28.385 56 HA GLN 7 HA GLN 7 -20.216 -8.542 28.095 57 HB2 GLN 7 HB2 GLN 7 -19.528 -11.249 26.932 58 HB3 GLN 7 HB3 GLN 7 -18.318 -10.032 27.377 59 HG2 GLN 7 HG2 GLN 7 -19.013 -10.047 29.696 60 HG3 GLN 7 HG3 GLN 7 -20.406 -11.056 29.346 61 HE21 GLN 7 HE21 GLN 7 -19.363 -12.195 31.235 62 HE22 GLN 7 HE22 GLN 7 -18.302 -13.532 30.794 63 H GLU 8 H GLU 8 -21.766 -7.414 26.430 64 HA GLU 8 HA GLU 8 -21.044 -7.584 23.631 65 HB2 GLU 8 HB2 GLU 8 -22.890 -6.104 23.278 66 HB3 GLU 8 HB3 GLU 8 -23.345 -7.252 24.531 67 HG2 GLU 8 HG2 GLU 8 -22.499 -5.359 26.188 68 HG3 GLU 8 HG3 GLU 8 -22.704 -4.304 24.792 69 H LYS 9 H LYS 9 -19.566 -5.704 26.037 70 HA LYS 9 HA LYS 9 -17.980 -4.516 23.873 71 HB2 LYS 9 HB2 LYS 9 -18.293 -2.266 24.433 72 HB3 LYS 9 HB3 LYS 9 -19.866 -2.949 24.172 73 HG2 LYS 9 HG2 LYS 9 -20.214 -3.128 26.651 74 HG3 LYS 9 HG3 LYS 9 -18.658 -2.299 26.898 75 HD2 LYS 9 HD2 LYS 9 -19.501 -0.360 25.594 76 HD3 LYS 9 HD3 LYS 9 -21.055 -1.183 25.375 77 HE2 LYS 9 HE2 LYS 9 -21.398 -1.180 27.845 78 HE3 LYS 9 HE3 LYS 9 -19.848 -0.351 28.054 79 HZ1 LYS 9 HZ1 LYS 9 -21.660 1.255 28.040 80 HZ2 LYS 9 HZ2 LYS 9 -22.190 0.718 26.574 81 HZ3 LYS 9 HZ3 LYS 9 -20.733 1.473 26.701 82 H THR 10 H THR 10 -15.913 -3.868 24.378 83 HA THR 10 HA THR 10 -14.966 -4.322 27.183 84 HB THR 10 HB THR 10 -12.863 -5.296 26.157 85 HG1 THR 10 HG1 THR 10 -13.299 -6.282 24.090 86 HG21 THR 10 HG21 THR 10 -13.765 -7.497 26.006 87 HG22 THR 10 HG22 THR 10 -15.392 -6.881 25.616 88 HG23 THR 10 HG23 THR 10 -14.695 -6.636 27.230 89 HA PRO 11 HA PRO 11 -12.970 -0.509 26.957 90 HB2 PRO 11 HB2 PRO 11 -11.039 -0.617 28.838 91 HB3 PRO 11 HB3 PRO 11 -12.756 -0.914 29.226 92 HG2 PRO 11 HG2 PRO 11 -10.658 -3.029 28.605 93 HG3 PRO 11 HG3 PRO 11 -11.702 -2.922 30.060 94 HD2 PRO 11 HD2 PRO 11 -12.418 -4.435 27.967 95 HD3 PRO 11 HD3 PRO 11 -13.641 -3.462 28.836 96 H LYS 12 H LYS 12 -12.383 -1.312 24.686 97 HA LYS 12 HA LYS 12 -9.834 -0.080 24.064 98 HB2 LYS 12 HB2 LYS 12 -9.525 -2.747 24.263 99 HB3 LYS 12 HB3 LYS 12 -10.352 -2.756 22.718 100 HG2 LYS 12 HG2 LYS 12 -8.067 -2.769 22.146 101 HG3 LYS 12 HG3 LYS 12 -8.540 -1.096 21.905 102 HD2 LYS 12 HD2 LYS 12 -6.475 -0.938 23.067 103 HD3 LYS 12 HD3 LYS 12 -7.676 -0.679 24.326 104 HE2 LYS 12 HE2 LYS 12 -6.261 -2.208 25.352 105 HE3 LYS 12 HE3 LYS 12 -7.500 -3.284 24.684 106 HZ1 LYS 12 HZ1 LYS 12 -5.893 -3.441 22.684 107 HZ2 LYS 12 HZ2 LYS 12 -5.418 -4.204 24.057 108 HZ3 LYS 12 HZ3 LYS 12 -4.781 -2.742 23.661 109 H THR 13 H THR 13 -9.838 0.730 21.887 110 HA THR 13 HA THR 13 -12.152 0.091 20.109 111 HB THR 13 HB THR 13 -11.765 2.575 19.265 112 HG1 THR 13 HG1 THR 13 -11.338 3.983 20.834 113 HG21 THR 13 HG21 THR 13 -13.909 1.657 19.936 114 HG22 THR 13 HG22 THR 13 -13.688 3.290 20.581 115 HG23 THR 13 HG23 THR 13 -13.497 1.885 21.659 116 HA PRO 14 HA PRO 14 -7.970 -0.643 18.492 117 HB2 PRO 14 HB2 PRO 14 -8.192 -3.144 17.466 118 HB3 PRO 14 HB3 PRO 14 -8.244 -2.825 19.222 119 HG2 PRO 14 HG2 PRO 14 -10.625 -3.101 17.341 120 HG3 PRO 14 HG3 PRO 14 -10.310 -4.015 18.847 121 HD2 PRO 14 HD2 PRO 14 -11.867 -1.786 18.839 122 HD3 PRO 14 HD3 PRO 14 -10.751 -2.121 20.196 123 H LYS 15 H LYS 15 -8.940 1.241 17.097 124 HA LYS 15 HA LYS 15 -9.226 0.543 14.218 125 HB2 LYS 15 HB2 LYS 15 -9.115 3.206 15.705 126 HB3 LYS 15 HB3 LYS 15 -9.094 3.065 13.954 127 HG2 LYS 15 HG2 LYS 15 -11.272 3.553 14.447 128 HG3 LYS 15 HG3 LYS 15 -11.304 1.838 14.057 129 HD2 LYS 15 HD2 LYS 15 -11.577 1.233 16.395 130 HD3 LYS 15 HD3 LYS 15 -11.225 2.874 16.935 131 HE2 LYS 15 HE2 LYS 15 -13.673 1.986 15.347 132 HE3 LYS 15 HE3 LYS 15 -13.618 2.355 17.072 133 HZ1 LYS 15 HZ1 LYS 15 -13.349 4.234 14.811 134 HZ2 LYS 15 HZ2 LYS 15 -12.771 4.645 16.278 135 HZ3 LYS 15 HZ3 LYS 15 -14.390 4.325 16.067 136 H GLY 16 H GLY 16 -7.732 1.248 12.635 137 HA2 GLY 16 HA2 GLY 16 -5.659 1.281 11.675 138 HA3 GLY 16 HA3 GLY 16 -5.407 2.601 12.807 139 HA PRO 17 HA PRO 17 -3.568 -1.445 14.951 140 HB2 PRO 17 HB2 PRO 17 -2.886 -2.888 12.384 141 HB3 PRO 17 HB3 PRO 17 -3.234 -3.574 14.003 142 HG2 PRO 17 HG2 PRO 17 -5.180 -3.528 12.125 143 HG3 PRO 17 HG3 PRO 17 -5.563 -3.060 13.806 144 HD2 PRO 17 HD2 PRO 17 -5.075 -1.284 11.424 145 HD3 PRO 17 HD3 PRO 17 -6.288 -1.147 12.719 146 H SER 18 H SER 18 -1.306 -2.331 15.169 147 HA SER 18 HA SER 18 0.656 -0.254 14.487 148 HB2 SER 18 HB2 SER 18 2.020 -1.470 16.206 149 HB3 SER 18 HB3 SER 18 0.450 -0.887 16.772 150 HG SER 18 HG SER 18 0.507 -2.897 17.473 151 H SER 19 H SER 19 -0.234 -2.829 12.750 152 HA SER 19 HA SER 19 2.384 -3.278 11.483 153 HB2 SER 19 HB2 SER 19 2.098 -4.937 13.429 154 HB3 SER 19 HB3 SER 19 0.766 -5.638 12.486 155 HG SER 19 HG SER 19 2.696 -6.704 12.077 156 H VAL 20 H VAL 20 1.653 -5.414 9.873 157 HA VAL 20 HA VAL 20 0.689 -4.024 7.695 158 HB VAL 20 HB VAL 20 0.817 -7.020 8.134 159 HG11 VAL 20 HG11 VAL 20 -0.617 -6.712 6.222 160 HG12 VAL 20 HG12 VAL 20 0.489 -5.496 5.529 161 HG13 VAL 20 HG13 VAL 20 0.966 -7.219 5.662 162 HG21 VAL 20 HG21 VAL 20 2.947 -6.812 6.855 163 HG22 VAL 20 HG22 VAL 20 2.716 -5.059 6.746 164 HG23 VAL 20 HG23 VAL 20 2.998 -5.836 8.320 165 H GLU 21 H GLU 21 -1.464 -5.764 9.933 166 HA GLU 21 HA GLU 21 -3.848 -5.874 8.409 167 HB2 GLU 21 HB2 GLU 21 -3.305 -5.133 11.318 168 HB3 GLU 21 HB3 GLU 21 -4.943 -5.255 10.671 169 HG2 GLU 21 HG2 GLU 21 -2.953 -7.538 10.583 170 HG3 GLU 21 HG3 GLU 21 -4.129 -7.295 11.880 171 H ASP 22 H ASP 22 -2.301 -3.027 9.867 172 HA ASP 22 HA ASP 22 -4.430 -1.129 9.481 173 HB2 ASP 22 HB2 ASP 22 -2.499 -0.933 11.016 174 HB3 ASP 22 HB3 ASP 22 -1.395 -0.828 9.652 175 H ILE 23 H ILE 23 -1.492 -1.826 7.521 176 HA ILE 23 HA ILE 23 -2.332 0.082 5.525 177 HB ILE 23 HB ILE 23 0.037 -0.584 6.129 178 HG12 ILE 23 HG12 ILE 23 -0.726 -0.383 3.196 179 HG13 ILE 23 HG13 ILE 23 -0.629 0.965 4.336 180 HG21 ILE 23 HG21 ILE 23 -0.205 -3.047 5.804 181 HG22 ILE 23 HG22 ILE 23 -0.388 -2.781 4.058 182 HG23 ILE 23 HG23 ILE 23 1.123 -2.367 4.889 183 HD11 ILE 23 HD11 ILE 23 1.409 0.992 3.118 184 HD12 ILE 23 HD12 ILE 23 1.812 0.363 4.724 185 HD13 ILE 23 HD13 ILE 23 1.669 -0.753 3.346 186 H LYS 24 H LYS 24 -2.760 -3.432 5.839 187 HA LYS 24 HA LYS 24 -3.936 -3.950 3.259 188 HB2 LYS 24 HB2 LYS 24 -4.529 -5.136 6.002 189 HB3 LYS 24 HB3 LYS 24 -5.169 -5.785 4.508 190 HG2 LYS 24 HG2 LYS 24 -2.167 -5.542 4.853 191 HG3 LYS 24 HG3 LYS 24 -3.071 -6.790 5.703 192 HD2 LYS 24 HD2 LYS 24 -4.009 -7.435 3.348 193 HD3 LYS 24 HD3 LYS 24 -2.697 -6.439 2.720 194 HE2 LYS 24 HE2 LYS 24 -1.927 -8.726 2.782 195 HE3 LYS 24 HE3 LYS 24 -1.062 -7.853 4.049 196 HZ1 LYS 24 HZ1 LYS 24 -1.960 -10.042 4.787 197 HZ2 LYS 24 HZ2 LYS 24 -3.495 -9.493 4.511 198 HZ3 LYS 24 HZ3 LYS 24 -2.561 -8.823 5.682 199 H ALA 25 H ALA 25 -5.570 -3.128 6.375 200 HA ALA 25 HA ALA 25 -8.167 -2.929 5.260 201 HB1 ALA 25 HB1 ALA 25 -7.681 -3.299 7.646 202 HB2 ALA 25 HB2 ALA 25 -6.985 -1.671 7.778 203 HB3 ALA 25 HB3 ALA 25 -8.716 -1.874 7.434 204 H LYS 26 H LYS 26 -5.740 -0.344 5.843 205 HA LYS 26 HA LYS 26 -7.495 1.781 4.917 206 HB2 LYS 26 HB2 LYS 26 -4.529 1.658 5.532 207 HB3 LYS 26 HB3 LYS 26 -5.356 3.143 5.044 208 HG2 LYS 26 HG2 LYS 26 -6.670 3.246 7.019 209 HG3 LYS 26 HG3 LYS 26 -6.465 1.540 7.370 210 HD2 LYS 26 HD2 LYS 26 -5.238 2.927 8.947 211 HD3 LYS 26 HD3 LYS 26 -4.201 1.835 8.034 212 HE2 LYS 26 HE2 LYS 26 -3.565 3.717 6.534 213 HE3 LYS 26 HE3 LYS 26 -4.478 4.822 7.569 214 HZ1 LYS 26 HZ1 LYS 26 -2.302 3.065 8.587 215 HZ2 LYS 26 HZ2 LYS 26 -3.017 4.264 9.392 216 HZ3 LYS 26 HZ3 LYS 26 -2.025 4.611 8.101 217 H MET 27 H MET 27 -5.055 -0.224 3.227 218 HA MET 27 HA MET 27 -5.372 1.139 0.682 219 HB2 MET 27 HB2 MET 27 -4.475 -1.672 1.416 220 HB3 MET 27 HB3 MET 27 -4.661 -1.134 -0.251 221 HG2 MET 27 HG2 MET 27 -3.095 0.698 0.092 222 HG3 MET 27 HG3 MET 27 -2.860 0.233 1.772 223 HE1 MET 27 HE1 MET 27 0.570 -0.603 0.005 224 HE2 MET 27 HE2 MET 27 -0.541 0.635 -0.622 225 HE3 MET 27 HE3 MET 27 -0.282 0.468 1.130 226 H GLN 28 H GLN 28 -7.243 -1.537 2.264 227 HA GLN 28 HA GLN 28 -9.028 -1.796 0.016 228 HB2 GLN 28 HB2 GLN 28 -9.607 -2.418 2.930 229 HB3 GLN 28 HB3 GLN 28 -10.636 -2.788 1.553 230 HG2 GLN 28 HG2 GLN 28 -8.062 -4.090 2.363 231 HG3 GLN 28 HG3 GLN 28 -9.584 -4.822 1.918 232 HE21 GLN 28 HE21 GLN 28 -6.474 -3.972 0.823 233 HE22 GLN 28 HE22 GLN 28 -6.766 -4.288 -0.899 234 H ALA 29 H ALA 29 -9.222 0.345 2.922 235 HA ALA 29 HA ALA 29 -11.618 1.620 2.160 236 HB1 ALA 29 HB1 ALA 29 -9.224 2.883 3.566 237 HB2 ALA 29 HB2 ALA 29 -10.909 3.436 3.618 238 HB3 ALA 29 HB3 ALA 29 -10.467 1.885 4.353 239 H SER 30 H SER 30 -8.281 2.376 1.031 240 HA SER 30 HA SER 30 -9.019 4.556 -0.674 241 HB2 SER 30 HB2 SER 30 -6.705 2.599 -0.907 242 HB3 SER 30 HB3 SER 30 -6.884 4.092 -1.842 243 HG SER 30 HG SER 30 -6.929 5.243 0.132 244 H ILE 31 H ILE 31 -8.564 1.045 -1.551 245 HA ILE 31 HA ILE 31 -9.295 1.674 -4.284 246 HB ILE 31 HB ILE 31 -7.591 -0.025 -3.475 247 HG12 ILE 31 HG12 ILE 31 -9.572 -0.954 -5.587 248 HG13 ILE 31 HG13 ILE 31 -8.325 0.277 -5.830 249 HG21 ILE 31 HG21 ILE 31 -9.250 -1.182 -1.920 250 HG22 ILE 31 HG22 ILE 31 -9.948 -1.950 -3.353 251 HG23 ILE 31 HG23 ILE 31 -8.255 -2.245 -2.911 252 HD11 ILE 31 HD11 ILE 31 -6.571 -1.426 -5.300 253 HD12 ILE 31 HD12 ILE 31 -7.847 -2.665 -5.194 254 HD13 ILE 31 HD13 ILE 31 -7.548 -1.833 -6.725 255 H GLU 32 H GLU 32 -11.132 0.324 -1.576 256 HA GLU 32 HA GLU 32 -13.426 -0.390 -3.280 257 HB2 GLU 32 HB2 GLU 32 -13.165 -0.553 -0.261 258 HB3 GLU 32 HB3 GLU 32 -14.459 -1.210 -1.258 259 HG2 GLU 32 HG2 GLU 32 -12.778 -2.651 -2.443 260 HG3 GLU 32 HG3 GLU 32 -11.550 -2.115 -1.298 261 H LYS 33 H LYS 33 -12.671 2.163 -0.846 262 HA LYS 33 HA LYS 33 -15.310 3.424 -1.553 263 HB2 LYS 33 HB2 LYS 33 -13.753 3.706 1.035 264 HB3 LYS 33 HB3 LYS 33 -15.277 4.495 0.622 265 HG2 LYS 33 HG2 LYS 33 -16.274 2.140 0.332 266 HG3 LYS 33 HG3 LYS 33 -14.782 1.522 1.059 267 HD2 LYS 33 HD2 LYS 33 -15.212 2.962 3.071 268 HD3 LYS 33 HD3 LYS 33 -16.694 3.540 2.318 269 HE2 LYS 33 HE2 LYS 33 -17.230 1.874 3.973 270 HE3 LYS 33 HE3 LYS 33 -17.662 1.264 2.374 271 HZ1 LYS 33 HZ1 LYS 33 -15.004 0.585 3.390 272 HZ2 LYS 33 HZ2 LYS 33 -16.045 -0.347 2.513 273 HZ3 LYS 33 HZ3 LYS 33 -16.226 -0.132 4.143 274 H GLY 34 H GLY 34 -11.874 4.210 -1.114 275 HA2 GLY 34 HA2 GLY 34 -12.152 7.013 -1.827 276 HA3 GLY 34 HA3 GLY 34 -10.659 6.074 -1.729 277 H GLY 35 H GLY 35 -12.071 4.132 -3.734 278 HA2 GLY 35 HA2 GLY 35 -12.621 3.930 -5.975 279 HA3 GLY 35 HA3 GLY 35 -12.397 5.661 -6.202 280 H SER 36 H SER 36 -9.484 4.745 -4.812 281 HA SER 36 HA SER 36 -8.228 3.584 -7.175 282 HB2 SER 36 HB2 SER 36 -6.801 5.647 -7.621 283 HB3 SER 36 HB3 SER 36 -8.470 5.672 -8.179 284 HG SER 36 HG SER 36 -8.280 7.561 -7.246 285 H LEU 37 H LEU 37 -6.103 3.037 -6.979 286 HA LEU 37 HA LEU 37 -4.508 3.784 -4.638 287 HB2 LEU 37 HB2 LEU 37 -5.926 1.791 -3.939 288 HB3 LEU 37 HB3 LEU 37 -5.234 0.886 -5.280 289 HG LEU 37 HG LEU 37 -2.938 1.260 -4.170 290 HD11 LEU 37 HD11 LEU 37 -3.809 3.106 -2.594 291 HD12 LEU 37 HD12 LEU 37 -2.876 1.811 -1.837 292 HD13 LEU 37 HD13 LEU 37 -4.649 1.827 -1.709 293 HD21 LEU 37 HD21 LEU 37 -5.056 -0.357 -2.695 294 HD22 LEU 37 HD22 LEU 37 -3.294 -0.573 -2.559 295 HD23 LEU 37 HD23 LEU 37 -4.109 -0.891 -4.101 296 HA PRO 38 HA PRO 38 -1.724 3.719 -8.061 297 HB2 PRO 38 HB2 PRO 38 0.766 3.877 -6.910 298 HB3 PRO 38 HB3 PRO 38 -0.418 5.222 -6.908 299 HG2 PRO 38 HG2 PRO 38 0.014 3.136 -4.735 300 HG3 PRO 38 HG3 PRO 38 0.006 4.923 -4.561 301 HD2 PRO 38 HD2 PRO 38 -2.191 3.491 -4.028 302 HD3 PRO 38 HD3 PRO 38 -2.341 5.014 -4.953 303 H LYS 39 H LYS 39 -0.508 2.499 -9.357 304 HA LYS 39 HA LYS 39 -0.136 -0.374 -8.664 305 HB2 LYS 39 HB2 LYS 39 -1.665 0.172 -10.410 306 HB3 LYS 39 HB3 LYS 39 -0.490 1.170 -11.246 307 HG2 LYS 39 HG2 LYS 39 0.897 -0.876 -11.706 308 HG3 LYS 39 HG3 LYS 39 -0.382 -1.844 -10.975 309 HD2 LYS 39 HD2 LYS 39 -0.525 -0.159 -13.495 310 HD3 LYS 39 HD3 LYS 39 -0.684 -1.919 -13.357 311 HE2 LYS 39 HE2 LYS 39 -2.792 -1.562 -12.014 312 HE3 LYS 39 HE3 LYS 39 -2.614 0.181 -12.285 313 HZ1 LYS 39 HZ1 LYS 39 -2.802 -0.224 -14.672 314 HZ2 LYS 39 HZ2 LYS 39 -4.143 -0.739 -13.872 315 HZ3 LYS 39 HZ3 LYS 39 -3.056 -1.830 -14.429 316 H VAL 40 H VAL 40 1.677 2.259 -10.269 317 HA VAL 40 HA VAL 40 4.058 0.638 -10.539 318 HB VAL 40 HB VAL 40 3.406 2.212 -12.225 319 HG11 VAL 40 HG11 VAL 40 2.405 4.003 -10.872 320 HG12 VAL 40 HG12 VAL 40 4.014 4.437 -10.238 321 HG13 VAL 40 HG13 VAL 40 3.639 4.631 -11.962 322 HG21 VAL 40 HG21 VAL 40 5.785 1.618 -12.021 323 HG22 VAL 40 HG22 VAL 40 5.530 3.228 -12.706 324 HG23 VAL 40 HG23 VAL 40 6.044 3.068 -11.019 325 H GLU 41 H GLU 41 6.105 0.892 -9.620 326 HA GLU 41 HA GLU 41 5.837 0.615 -6.896 327 HB2 GLU 41 HB2 GLU 41 7.491 -0.474 -8.400 328 HB3 GLU 41 HB3 GLU 41 8.444 1.016 -8.391 329 HG2 GLU 41 HG2 GLU 41 8.677 0.790 -5.899 330 HG3 GLU 41 HG3 GLU 41 7.750 -0.712 -5.964 331 H ALA 42 H ALA 42 7.597 3.477 -8.382 332 HA ALA 42 HA ALA 42 8.269 4.491 -5.791 333 HB1 ALA 42 HB1 ALA 42 9.510 5.091 -7.813 334 HB2 ALA 42 HB2 ALA 42 8.104 5.990 -8.432 335 HB3 ALA 42 HB3 ALA 42 8.934 6.535 -6.968 336 H LYS 43 H LYS 43 5.392 5.056 -7.788 337 HA LYS 43 HA LYS 43 4.223 7.102 -6.044 338 HB2 LYS 43 HB2 LYS 43 2.944 5.224 -8.072 339 HB3 LYS 43 HB3 LYS 43 2.092 6.504 -7.216 340 HG2 LYS 43 HG2 LYS 43 4.425 6.913 -9.114 341 HG3 LYS 43 HG3 LYS 43 2.711 7.136 -9.491 342 HD2 LYS 43 HD2 LYS 43 2.573 8.928 -7.751 343 HD3 LYS 43 HD3 LYS 43 4.319 8.767 -7.468 344 HE2 LYS 43 HE2 LYS 43 4.762 9.371 -9.827 345 HE3 LYS 43 HE3 LYS 43 3.025 9.556 -10.113 346 HZ1 LYS 43 HZ1 LYS 43 4.552 11.151 -8.111 347 HZ2 LYS 43 HZ2 LYS 43 2.987 11.321 -8.476 348 HZ3 LYS 43 HZ3 LYS 43 4.119 11.693 -9.618 349 H PHE 44 H PHE 44 3.983 3.546 -6.280 350 HA PHE 44 HA PHE 44 2.112 3.287 -4.188 351 HB2 PHE 44 HB2 PHE 44 2.594 1.516 -5.798 352 HB3 PHE 44 HB3 PHE 44 4.238 1.364 -5.210 353 HD1 PHE 44 HD2 PHE 44 0.663 0.760 -4.364 354 HD2 PHE 44 HD1 PHE 44 4.774 0.013 -3.290 355 HE1 PHE 44 HE2 PHE 44 -0.063 -1.037 -2.811 356 HE2 PHE 44 HE1 PHE 44 4.044 -1.804 -1.760 357 HZ PHE 44 HZ PHE 44 1.622 -2.336 -1.529 358 H ILE 45 H ILE 45 5.723 3.239 -4.022 359 HA ILE 45 HA ILE 45 5.909 3.028 -1.166 360 HB ILE 45 HB ILE 45 7.805 4.178 -3.234 361 HG12 ILE 45 HG12 ILE 45 7.888 1.558 -1.650 362 HG13 ILE 45 HG13 ILE 45 7.226 1.683 -3.271 363 HG21 ILE 45 HG21 ILE 45 9.564 4.058 -1.476 364 HG22 ILE 45 HG22 ILE 45 8.324 5.209 -1.037 365 HG23 ILE 45 HG23 ILE 45 8.335 3.607 -0.273 366 HD11 ILE 45 HD11 ILE 45 10.127 2.154 -2.499 367 HD12 ILE 45 HD12 ILE 45 9.452 0.827 -3.451 368 HD13 ILE 45 HD13 ILE 45 9.444 2.474 -4.114 369 H ASN 46 H ASN 46 5.570 5.935 -3.264 370 HA ASN 46 HA ASN 46 5.622 7.897 -1.197 371 HB2 ASN 46 HB2 ASN 46 5.707 8.849 -3.275 372 HB3 ASN 46 HB3 ASN 46 4.618 7.696 -4.002 373 HD21 ASN 46 HD21 ASN 46 2.256 8.026 -3.834 374 HD22 ASN 46 HD22 ASN 46 1.690 9.622 -3.406 375 H TYR 47 H TYR 47 2.805 5.973 -2.399 376 HA TYR 47 HA TYR 47 0.927 7.063 -0.527 377 HB2 TYR 47 HB2 TYR 47 0.152 5.914 -2.474 378 HB3 TYR 47 HB3 TYR 47 0.995 4.434 -2.043 379 HD1 TYR 47 HD2 TYR 47 0.251 3.094 -0.018 380 HD2 TYR 47 HD1 TYR 47 -2.075 6.354 -1.629 381 HE1 TYR 47 HE2 TYR 47 -1.728 2.345 1.297 382 HE2 TYR 47 HE1 TYR 47 -4.069 5.535 -0.388 383 HH TYR 47 HH TYR 47 -4.925 3.873 0.975 384 H VAL 48 H VAL 48 3.024 4.142 -0.312 385 HA VAL 48 HA VAL 48 2.209 3.197 2.234 386 HB VAL 48 HB VAL 48 4.882 3.084 0.805 387 HG11 VAL 48 HG11 VAL 48 5.577 1.297 2.329 388 HG12 VAL 48 HG12 VAL 48 5.397 2.815 3.196 389 HG13 VAL 48 HG13 VAL 48 4.134 1.570 3.329 390 HG21 VAL 48 HG21 VAL 48 2.906 1.800 -0.154 391 HG22 VAL 48 HG22 VAL 48 4.280 0.797 0.312 392 HG23 VAL 48 HG23 VAL 48 2.845 0.883 1.351 393 H LYS 49 H LYS 49 4.915 5.516 1.557 394 HA LYS 49 HA LYS 49 5.395 6.104 4.310 395 HB2 LYS 49 HB2 LYS 49 5.985 7.642 1.754 396 HB3 LYS 49 HB3 LYS 49 6.542 8.169 3.352 397 HG2 LYS 49 HG2 LYS 49 7.782 6.091 3.681 398 HG3 LYS 49 HG3 LYS 49 7.180 5.432 2.151 399 HD2 LYS 49 HD2 LYS 49 8.364 7.136 0.876 400 HD3 LYS 49 HD3 LYS 49 8.885 7.942 2.365 401 HE2 LYS 49 HE2 LYS 49 10.123 5.872 3.036 402 HE3 LYS 49 HE3 LYS 49 9.615 5.097 1.533 403 HZ1 LYS 49 HZ1 LYS 49 10.807 6.878 0.324 404 HZ2 LYS 49 HZ2 LYS 49 11.839 6.012 1.254 405 HZ3 LYS 49 HZ3 LYS 49 11.388 7.483 1.755 406 H ASN 50 H ASN 50 3.023 7.538 2.133 407 HA ASN 50 HA ASN 50 2.141 9.544 4.051 408 HB2 ASN 50 HB2 ASN 50 1.433 10.390 2.140 409 HB3 ASN 50 HB3 ASN 50 1.676 8.898 1.269 410 HD21 ASN 50 HD21 ASN 50 -0.128 7.179 1.640 411 HD22 ASN 50 HD22 ASN 50 -1.733 7.897 1.412 412 H CYS 51 H CYS 51 1.514 6.152 3.895 413 HA CYS 51 HA CYS 51 -1.083 6.435 5.360 414 HB2 CYS 51 HB2 CYS 51 -1.144 5.534 3.075 415 HB3 CYS 51 HB3 CYS 51 -0.012 4.253 3.521 416 HG CYS 51 HG CYS 51 -2.677 3.582 3.234 417 H PHE 52 H PHE 52 1.736 4.230 5.207 418 HA PHE 52 HA PHE 52 2.197 4.167 8.026 419 HB2 PHE 52 HB2 PHE 52 0.311 2.623 8.111 420 HB3 PHE 52 HB3 PHE 52 0.918 1.716 6.737 421 HD1 PHE 52 HD2 PHE 52 2.107 2.829 10.151 422 HD2 PHE 52 HD1 PHE 52 1.996 -0.320 7.213 423 HE1 PHE 52 HE2 PHE 52 3.266 1.313 11.731 424 HE2 PHE 52 HE1 PHE 52 3.141 -1.845 8.808 425 HZ PHE 52 HZ PHE 52 3.763 -1.034 11.068 426 H ARG 53 H ARG 53 4.401 4.150 7.964 427 HA ARG 53 HA ARG 53 5.703 3.920 5.445 428 HB2 ARG 53 HB2 ARG 53 6.810 4.119 8.264 429 HB3 ARG 53 HB3 ARG 53 7.798 4.294 6.814 430 HG2 ARG 53 HG2 ARG 53 6.674 6.302 6.140 431 HG3 ARG 53 HG3 ARG 53 5.402 6.103 7.359 432 HD2 ARG 53 HD2 ARG 53 7.029 6.397 9.161 433 HD3 ARG 53 HD3 ARG 53 8.350 6.536 8.006 434 HE ARG 53 HE ARG 53 6.310 8.565 8.692 435 HH11 ARG 53 HH11 ARG 53 8.917 7.825 6.422 436 HH12 ARG 53 HH12 ARG 53 9.050 9.503 5.951 437 HH21 ARG 53 HH21 ARG 53 6.840 10.715 8.234 438 HH22 ARG 53 HH22 ARG 53 7.969 11.013 6.930 439 H MET 54 H MET 54 5.211 1.404 7.699 440 HA MET 54 HA MET 54 5.804 -0.728 7.954 441 HB2 MET 54 HB2 MET 54 6.464 -0.609 4.993 442 HB3 MET 54 HB3 MET 54 6.415 -2.082 5.966 443 HG2 MET 54 HG2 MET 54 4.046 -1.471 6.610 444 HG3 MET 54 HG3 MET 54 4.093 -0.240 5.345 445 HE1 MET 54 HE1 MET 54 4.392 -2.425 2.089 446 HE2 MET 54 HE2 MET 54 4.158 -0.791 2.750 447 HE3 MET 54 HE3 MET 54 5.710 -1.634 2.979 448 H THR 55 H THR 55 8.473 0.899 6.280 449 HA THR 55 HA THR 55 10.695 0.747 6.348 450 HB THR 55 HB THR 55 11.750 0.930 8.547 451 HG1 THR 55 HG1 THR 55 10.807 -0.123 10.020 452 HG21 THR 55 HG21 THR 55 9.146 2.494 8.336 453 HG22 THR 55 HG22 THR 55 10.670 2.898 7.517 454 HG23 THR 55 HG23 THR 55 10.583 2.923 9.286 455 H ASP 56 H ASP 56 9.353 -2.029 6.220 456 HA ASP 56 HA ASP 56 11.939 -3.542 6.364 457 HB2 ASP 56 HB2 ASP 56 9.084 -4.573 6.549 458 HB3 ASP 56 HB3 ASP 56 10.527 -5.562 6.418 459 H GLN 57 H GLN 57 12.758 -3.826 4.326 460 HA GLN 57 HA GLN 57 11.324 -3.278 1.959 461 HB2 GLN 57 HB2 GLN 57 13.932 -3.659 2.535 462 HB3 GLN 57 HB3 GLN 57 13.603 -5.238 1.829 463 HG2 GLN 57 HG2 GLN 57 13.192 -2.495 0.553 464 HG3 GLN 57 HG3 GLN 57 14.469 -3.640 0.163 465 HE21 GLN 57 HE21 GLN 57 11.688 -2.431 -1.076 466 HE22 GLN 57 HE22 GLN 57 11.054 -3.877 -1.872 467 H GLU 58 H GLU 58 11.749 -6.372 3.636 468 HA GLU 58 HA GLU 58 10.496 -8.161 1.842 469 HB2 GLU 58 HB2 GLU 58 9.931 -9.462 3.941 470 HB3 GLU 58 HB3 GLU 58 11.637 -9.070 3.696 471 HG2 GLU 58 HG2 GLU 58 11.542 -7.266 5.309 472 HG3 GLU 58 HG3 GLU 58 9.788 -7.435 5.464 473 H ALA 59 H ALA 59 8.890 -5.977 4.243 474 HA ALA 59 HA ALA 59 6.226 -6.955 3.569 475 HB1 ALA 59 HB1 ALA 59 5.428 -5.123 4.909 476 HB2 ALA 59 HB2 ALA 59 6.711 -5.997 5.774 477 HB3 ALA 59 HB3 ALA 59 7.060 -4.420 5.012 478 H ILE 60 H ILE 60 8.285 -4.185 2.525 479 HA ILE 60 HA ILE 60 6.356 -2.868 0.892 480 HB ILE 60 HB ILE 60 9.358 -3.040 0.830 481 HG12 ILE 60 HG12 ILE 60 7.407 -0.788 1.462 482 HG13 ILE 60 HG13 ILE 60 8.231 -1.801 2.648 483 HG21 ILE 60 HG21 ILE 60 9.378 -1.240 -0.906 484 HG22 ILE 60 HG22 ILE 60 8.680 -2.710 -1.548 485 HG23 ILE 60 HG23 ILE 60 7.614 -1.373 -1.060 486 HD11 ILE 60 HD11 ILE 60 9.496 0.231 0.783 487 HD12 ILE 60 HD12 ILE 60 9.436 0.244 2.549 488 HD13 ILE 60 HD13 ILE 60 10.439 -0.965 1.713 489 H GLN 61 H GLN 61 8.573 -5.544 -0.085 490 HA GLN 61 HA GLN 61 7.267 -5.712 -2.680 491 HB2 GLN 61 HB2 GLN 61 8.657 -7.695 -3.065 492 HB3 GLN 61 HB3 GLN 61 9.508 -6.231 -2.605 493 HG2 GLN 61 HG2 GLN 61 10.717 -7.599 -1.326 494 HG3 GLN 61 HG3 GLN 61 9.436 -7.345 -0.166 495 HE21 GLN 61 HE21 GLN 61 8.301 -9.176 0.584 496 HE22 GLN 61 HE22 GLN 61 8.623 -10.779 -0.058 497 H ASP 62 H ASP 62 6.774 -7.565 0.352 498 HA ASP 62 HA ASP 62 4.992 -9.532 -0.683 499 HB2 ASP 62 HB2 ASP 62 6.045 -9.512 1.577 500 HB3 ASP 62 HB3 ASP 62 5.022 -8.154 2.039 501 H LEU 63 H LEU 63 4.336 -6.244 0.560 502 HA LEU 63 HA LEU 63 1.491 -6.422 0.096 503 HB2 LEU 63 HB2 LEU 63 3.396 -4.301 1.017 504 HB3 LEU 63 HB3 LEU 63 1.811 -3.807 0.464 505 HG LEU 63 HG LEU 63 1.932 -4.063 2.899 506 HD11 LEU 63 HD11 LEU 63 -0.158 -5.232 3.210 507 HD12 LEU 63 HD12 LEU 63 0.013 -6.075 1.661 508 HD13 LEU 63 HD13 LEU 63 -0.225 -4.313 1.699 509 HD21 LEU 63 HD21 LEU 63 2.027 -6.204 3.990 510 HD22 LEU 63 HD22 LEU 63 3.467 -6.029 3.012 511 HD23 LEU 63 HD23 LEU 63 2.142 -7.069 2.448 512 H TRP 64 H TRP 64 4.237 -5.184 -1.871 513 HA TRP 64 HA TRP 64 2.487 -3.916 -3.784 514 HB2 TRP 64 HB2 TRP 64 4.972 -3.468 -3.480 515 HB3 TRP 64 HB3 TRP 64 5.265 -4.961 -4.351 516 HD1 TRP 64 HD1 TRP 64 2.723 -2.118 -5.168 517 HE1 TRP 64 HE1 TRP 64 3.137 -1.309 -7.590 518 HE3 TRP 64 HE3 TRP 64 6.910 -4.834 -6.260 519 HZ2 TRP 64 HZ2 TRP 64 5.026 -1.747 -9.674 520 HZ3 TRP 64 HZ3 TRP 64 8.051 -4.560 -8.451 521 HH2 TRP 64 HH2 TRP 64 7.108 -3.035 -10.172 522 H GLN 65 H GLN 65 3.753 -7.258 -3.542 523 HA GLN 65 HA GLN 65 2.323 -8.097 -5.958 524 HB2 GLN 65 HB2 GLN 65 3.702 -9.610 -3.725 525 HB3 GLN 65 HB3 GLN 65 2.684 -10.411 -4.919 526 HG2 GLN 65 HG2 GLN 65 4.684 -10.644 -5.968 527 HG3 GLN 65 HG3 GLN 65 4.145 -9.157 -6.717 528 HE21 GLN 65 HE21 GLN 65 5.521 -7.324 -6.483 529 HE22 GLN 65 HE22 GLN 65 6.980 -7.369 -5.489 530 H TRP 66 H TRP 66 1.436 -8.073 -2.437 531 HA TRP 66 HA TRP 66 -1.090 -9.333 -2.767 532 HB2 TRP 66 HB2 TRP 66 -0.016 -8.643 -0.582 533 HB3 TRP 66 HB3 TRP 66 -0.536 -6.996 -0.904 534 HD1 TRP 66 HD1 TRP 66 -3.327 -6.710 -1.148 535 HE1 TRP 66 HE1 TRP 66 -5.214 -7.870 0.185 536 HE3 TRP 66 HE3 TRP 66 -0.708 -10.704 0.700 537 HZ2 TRP 66 HZ2 TRP 66 -5.551 -10.239 1.745 538 HZ3 TRP 66 HZ3 TRP 66 -1.839 -12.378 2.146 539 HH2 TRP 66 HH2 TRP 66 -4.257 -12.165 2.668 540 H ARG 67 H ARG 67 -0.243 -5.885 -3.132 541 HA ARG 67 HA ARG 67 -2.682 -4.835 -4.144 542 HB2 ARG 67 HB2 ARG 67 -0.875 -3.444 -3.444 543 HB3 ARG 67 HB3 ARG 67 0.237 -4.131 -4.589 544 HG2 ARG 67 HG2 ARG 67 -2.152 -2.390 -5.302 545 HG3 ARG 67 HG3 ARG 67 -0.496 -1.836 -5.128 546 HD2 ARG 67 HD2 ARG 67 -1.647 -3.535 -7.332 547 HD3 ARG 67 HD3 ARG 67 -0.899 -1.955 -7.427 548 HE ARG 67 HE ARG 67 1.087 -3.744 -6.453 549 HH11 ARG 67 HH11 ARG 67 -0.775 -3.445 -9.436 550 HH12 ARG 67 HH12 ARG 67 0.413 -4.333 -10.348 551 HH21 ARG 67 HH21 ARG 67 2.595 -4.751 -7.708 552 HH22 ARG 67 HH22 ARG 67 2.336 -4.861 -9.439 553 H LYS 68 H LYS 68 -0.021 -6.439 -5.959 554 HA LYS 68 HA LYS 68 -1.126 -6.161 -8.547 555 HB2 LYS 68 HB2 LYS 68 1.191 -7.131 -7.754 556 HB3 LYS 68 HB3 LYS 68 0.349 -8.686 -7.734 557 HG2 LYS 68 HG2 LYS 68 -0.318 -8.254 -10.155 558 HG3 LYS 68 HG3 LYS 68 0.647 -6.782 -10.086 559 HD2 LYS 68 HD2 LYS 68 2.131 -8.269 -11.064 560 HD3 LYS 68 HD3 LYS 68 2.628 -8.297 -9.383 561 HE2 LYS 68 HE2 LYS 68 2.641 -10.545 -10.209 562 HE3 LYS 68 HE3 LYS 68 1.295 -10.431 -9.068 563 HZ1 LYS 68 HZ1 LYS 68 -0.240 -10.445 -10.875 564 HZ2 LYS 68 HZ2 LYS 68 0.881 -11.559 -11.334 565 HZ3 LYS 68 HZ3 LYS 68 0.946 -10.098 -11.995 566 H SER 69 H SER 69 -1.859 -8.637 -6.105 567 HA SER 69 HA SER 69 -3.908 -9.795 -7.910 568 HB2 SER 69 HB2 SER 69 -2.694 -10.877 -5.364 569 HB3 SER 69 HB3 SER 69 -3.983 -11.667 -6.299 570 HG SER 69 HG SER 69 -2.155 -12.501 -7.096 571 H LEU 70 H LEU 70 -4.288 -7.201 -6.119 572 HA LEU 70 HA LEU 70 -6.772 -7.857 -4.735 573 HB2 LEU 70 HB2 LEU 70 -5.670 -5.208 -5.762 574 HB3 LEU 70 HB3 LEU 70 -7.198 -5.362 -4.918 575 HG LEU 70 HG LEU 70 -4.486 -6.024 -3.730 576 HD11 LEU 70 HD11 LEU 70 -6.394 -3.719 -3.202 577 HD12 LEU 70 HD12 LEU 70 -4.884 -3.611 -4.125 578 HD13 LEU 70 HD13 LEU 70 -4.828 -4.003 -2.399 579 HD21 LEU 70 HD21 LEU 70 -5.735 -6.107 -1.570 580 HD22 LEU 70 HD22 LEU 70 -6.184 -7.403 -2.671 581 HD23 LEU 70 HD23 LEU 70 -7.264 -6.009 -2.481 Start of MODEL 12 1 H GLN 1 H1 GLN 1 -32.262 5.004 32.113 2 HA GLN 1 HA GLN 1 -34.167 7.200 32.519 3 HB2 GLN 1 HB2 GLN 1 -33.643 4.753 34.239 4 HB3 GLN 1 HB3 GLN 1 -34.342 6.240 34.875 5 HG2 GLN 1 HG2 GLN 1 -36.135 6.091 33.086 6 HG3 GLN 1 HG3 GLN 1 -35.522 4.471 32.707 7 HE21 GLN 1 HE21 GLN 1 -37.149 6.458 35.206 8 HE22 GLN 1 HE22 GLN 1 -37.562 5.078 36.232 9 H GLU 2 H GLU 2 -33.612 8.546 34.382 10 HA GLU 2 HA GLU 2 -32.165 10.126 35.111 11 HB2 GLU 2 HB2 GLU 2 -31.058 9.355 37.101 12 HB3 GLU 2 HB3 GLU 2 -32.698 8.797 36.915 13 HG2 GLU 2 HG2 GLU 2 -31.852 6.539 36.217 14 HG3 GLU 2 HG3 GLU 2 -30.204 7.102 36.560 15 H SER 3 H SER 3 -31.250 9.606 32.636 16 HA SER 3 HA SER 3 -29.558 9.845 31.192 17 HB2 SER 3 HB2 SER 3 -28.653 11.718 33.385 18 HB3 SER 3 HB3 SER 3 -27.834 11.616 31.827 19 HG SER 3 HG SER 3 -30.336 12.620 32.439 20 H PHE 4 H PHE 4 -29.184 7.374 32.645 21 HA PHE 4 HA PHE 4 -26.284 7.254 33.018 22 HB2 PHE 4 HB2 PHE 4 -26.635 4.820 33.449 23 HB3 PHE 4 HB3 PHE 4 -27.198 6.000 34.578 24 HD1 PHE 4 HD1 PHE 4 -28.821 4.465 31.486 25 HD2 PHE 4 HD2 PHE 4 -28.970 5.081 35.753 26 HE1 PHE 4 HE1 PHE 4 -30.932 3.169 31.610 27 HE2 PHE 4 HE2 PHE 4 -31.098 3.818 35.860 28 HZ PHE 4 HZ PHE 4 -32.074 2.840 33.787 29 H LYS 5 H LYS 5 -24.803 6.069 32.077 30 HA LYS 5 HA LYS 5 -24.621 6.200 29.235 31 HB2 LYS 5 HB2 LYS 5 -22.776 6.567 30.820 32 HB3 LYS 5 HB3 LYS 5 -22.925 4.941 31.428 33 HG2 LYS 5 HG2 LYS 5 -20.977 5.158 30.038 34 HG3 LYS 5 HG3 LYS 5 -22.102 3.985 29.371 35 HD2 LYS 5 HD2 LYS 5 -20.961 5.385 27.699 36 HD3 LYS 5 HD3 LYS 5 -22.721 5.484 27.576 37 HE2 LYS 5 HE2 LYS 5 -22.779 7.677 28.448 38 HE3 LYS 5 HE3 LYS 5 -21.164 7.545 29.160 39 HZ1 LYS 5 HZ1 LYS 5 -21.585 7.481 26.223 40 HZ2 LYS 5 HZ2 LYS 5 -20.175 7.644 27.060 41 HZ3 LYS 5 HZ3 LYS 5 -21.241 8.870 27.088 42 H LYS 6 H LYS 6 -25.287 3.455 31.370 43 HA LYS 6 HA LYS 6 -24.614 1.348 29.712 44 HB2 LYS 6 HB2 LYS 6 -26.155 -0.038 31.079 45 HB3 LYS 6 HB3 LYS 6 -25.039 0.965 31.996 46 HG2 LYS 6 HG2 LYS 6 -26.818 2.568 32.522 47 HG3 LYS 6 HG3 LYS 6 -27.968 1.670 31.510 48 HD2 LYS 6 HD2 LYS 6 -27.844 -0.259 32.971 49 HD3 LYS 6 HD3 LYS 6 -26.524 0.448 33.911 50 HE2 LYS 6 HE2 LYS 6 -27.906 2.113 34.871 51 HE3 LYS 6 HE3 LYS 6 -29.189 1.867 33.671 52 HZ1 LYS 6 HZ1 LYS 6 -28.399 -0.233 35.588 53 HZ2 LYS 6 HZ2 LYS 6 -29.716 -0.219 34.626 54 HZ3 LYS 6 HZ3 LYS 6 -29.605 0.810 35.918 55 H GLN 7 H GLN 7 -27.287 3.362 28.954 56 HA GLN 7 HA GLN 7 -28.635 1.330 27.295 57 HB2 GLN 7 HB2 GLN 7 -29.029 4.325 27.594 58 HB3 GLN 7 HB3 GLN 7 -29.993 3.282 26.536 59 HG2 GLN 7 HG2 GLN 7 -30.696 1.916 28.484 60 HG3 GLN 7 HG3 GLN 7 -29.755 2.960 29.562 61 HE21 GLN 7 HE21 GLN 7 -32.550 2.892 27.324 62 HE22 GLN 7 HE22 GLN 7 -33.271 4.365 27.978 63 H GLU 8 H GLU 8 -25.895 3.395 26.852 64 HA GLU 8 HA GLU 8 -26.045 3.542 23.922 65 HB2 GLU 8 HB2 GLU 8 -24.981 5.271 25.408 66 HB3 GLU 8 HB3 GLU 8 -23.758 4.089 25.868 67 HG2 GLU 8 HG2 GLU 8 -22.897 4.000 23.601 68 HG3 GLU 8 HG3 GLU 8 -24.242 4.991 23.008 69 H LYS 9 H LYS 9 -25.319 1.969 22.555 70 HA LYS 9 HA LYS 9 -23.965 -0.459 23.725 71 HB2 LYS 9 HB2 LYS 9 -25.996 -0.454 21.471 72 HB3 LYS 9 HB3 LYS 9 -25.347 -1.838 22.335 73 HG2 LYS 9 HG2 LYS 9 -27.281 0.248 23.401 74 HG3 LYS 9 HG3 LYS 9 -27.646 -1.410 22.947 75 HD2 LYS 9 HD2 LYS 9 -26.246 -2.270 24.786 76 HD3 LYS 9 HD3 LYS 9 -25.854 -0.607 25.285 77 HE2 LYS 9 HE2 LYS 9 -28.262 -0.134 25.630 78 HE3 LYS 9 HE3 LYS 9 -28.663 -1.762 25.088 79 HZ1 LYS 9 HZ1 LYS 9 -27.336 -2.614 26.995 80 HZ2 LYS 9 HZ2 LYS 9 -28.626 -1.705 27.470 81 HZ3 LYS 9 HZ3 LYS 9 -27.116 -1.078 27.519 82 H THR 10 H THR 10 -24.270 1.553 20.798 83 HA THR 10 HA THR 10 -21.929 0.141 19.597 84 HB THR 10 HB THR 10 -23.098 0.174 17.404 85 HG1 THR 10 HG1 THR 10 -25.254 0.434 17.325 86 HG21 THR 10 HG21 THR 10 -23.005 -1.877 18.834 87 HG22 THR 10 HG22 THR 10 -24.425 -1.804 17.777 88 HG23 THR 10 HG23 THR 10 -24.593 -1.446 19.504 89 HA PRO 11 HA PRO 11 -21.304 4.744 19.236 90 HB2 PRO 11 HB2 PRO 11 -18.522 3.839 19.956 91 HB3 PRO 11 HB3 PRO 11 -19.386 5.331 20.447 92 HG2 PRO 11 HG2 PRO 11 -19.159 3.275 22.186 93 HG3 PRO 11 HG3 PRO 11 -20.737 4.114 22.012 94 HD2 PRO 11 HD2 PRO 11 -19.842 1.514 20.726 95 HD3 PRO 11 HD3 PRO 11 -21.359 1.884 21.593 96 H LYS 12 H LYS 12 -19.863 1.919 17.766 97 HA LYS 12 HA LYS 12 -18.679 1.517 15.839 98 HB2 LYS 12 HB2 LYS 12 -20.608 3.624 14.862 99 HB3 LYS 12 HB3 LYS 12 -19.710 2.532 13.815 100 HG2 LYS 12 HG2 LYS 12 -20.829 0.602 14.570 101 HG3 LYS 12 HG3 LYS 12 -21.511 1.396 15.988 102 HD2 LYS 12 HD2 LYS 12 -22.208 2.202 13.141 103 HD3 LYS 12 HD3 LYS 12 -23.134 1.018 14.083 104 HE2 LYS 12 HE2 LYS 12 -23.692 2.646 15.776 105 HE3 LYS 12 HE3 LYS 12 -22.593 3.850 15.093 106 HZ1 LYS 12 HZ1 LYS 12 -24.942 2.773 13.655 107 HZ2 LYS 12 HZ2 LYS 12 -23.967 4.013 13.155 108 HZ3 LYS 12 HZ3 LYS 12 -24.960 4.182 14.466 109 H THR 13 H THR 13 -17.075 2.890 17.359 110 HA THR 13 HA THR 13 -16.064 5.309 16.061 111 HB THR 13 HB THR 13 -16.235 5.207 18.475 112 HG1 THR 13 HG1 THR 13 -13.688 5.424 18.674 113 HG21 THR 13 HG21 THR 13 -15.705 2.799 18.877 114 HG22 THR 13 HG22 THR 13 -14.755 3.902 19.875 115 HG23 THR 13 HG23 THR 13 -14.016 3.133 18.453 116 HA PRO 14 HA PRO 14 -12.812 2.979 13.970 117 HB2 PRO 14 HB2 PRO 14 -11.493 4.949 12.701 118 HB3 PRO 14 HB3 PRO 14 -13.173 4.512 12.262 119 HG2 PRO 14 HG2 PRO 14 -12.239 6.793 14.032 120 HG3 PRO 14 HG3 PRO 14 -13.451 6.835 12.717 121 HD2 PRO 14 HD2 PRO 14 -14.090 6.571 15.399 122 HD3 PRO 14 HD3 PRO 14 -15.097 5.910 14.075 123 H LYS 15 H LYS 15 -10.685 2.353 14.361 124 HA LYS 15 HA LYS 15 -9.260 3.761 16.603 125 HB2 LYS 15 HB2 LYS 15 -9.528 0.849 15.888 126 HB3 LYS 15 HB3 LYS 15 -8.045 1.416 16.642 127 HG2 LYS 15 HG2 LYS 15 -9.506 0.597 18.347 128 HG3 LYS 15 HG3 LYS 15 -9.272 2.333 18.550 129 HD2 LYS 15 HD2 LYS 15 -11.521 2.787 17.672 130 HD3 LYS 15 HD3 LYS 15 -11.714 1.086 17.224 131 HE2 LYS 15 HE2 LYS 15 -12.949 1.386 19.232 132 HE3 LYS 15 HE3 LYS 15 -11.507 0.468 19.656 133 HZ1 LYS 15 HZ1 LYS 15 -10.528 2.491 20.562 134 HZ2 LYS 15 HZ2 LYS 15 -11.994 2.246 21.229 135 HZ3 LYS 15 HZ3 LYS 15 -11.818 3.410 20.082 136 H GLY 16 H GLY 16 -8.626 2.119 13.496 137 HA2 GLY 16 HA2 GLY 16 -6.881 2.317 11.988 138 HA3 GLY 16 HA3 GLY 16 -6.463 3.851 12.733 139 HA PRO 17 HA PRO 17 -4.168 0.388 15.360 140 HB2 PRO 17 HB2 PRO 17 -3.968 -1.672 13.162 141 HB3 PRO 17 HB3 PRO 17 -3.971 -1.912 14.924 142 HG2 PRO 17 HG2 PRO 17 -6.242 -2.319 13.498 143 HG3 PRO 17 HG3 PRO 17 -6.316 -1.473 15.075 144 HD2 PRO 17 HD2 PRO 17 -6.430 -0.298 12.318 145 HD3 PRO 17 HD3 PRO 17 -7.322 0.157 13.791 146 H SER 18 H SER 18 -1.913 0.321 15.504 147 HA SER 18 HA SER 18 -0.497 1.917 13.513 148 HB2 SER 18 HB2 SER 18 1.318 1.967 15.179 149 HB3 SER 18 HB3 SER 18 -0.247 2.468 15.820 150 HG SER 18 HG SER 18 0.443 1.143 17.323 151 H SER 19 H SER 19 -1.188 -0.740 12.553 152 HA SER 19 HA SER 19 1.494 -1.871 11.951 153 HB2 SER 19 HB2 SER 19 -0.868 -3.450 13.057 154 HB3 SER 19 HB3 SER 19 0.569 -4.167 12.315 155 HG SER 19 HG SER 19 0.424 -2.655 14.705 156 H VAL 20 H VAL 20 1.536 -3.307 10.145 157 HA VAL 20 HA VAL 20 0.314 -2.614 7.793 158 HB VAL 20 HB VAL 20 1.419 -5.282 8.719 159 HG11 VAL 20 HG11 VAL 20 0.392 -4.628 5.934 160 HG12 VAL 20 HG12 VAL 20 1.559 -5.926 6.278 161 HG13 VAL 20 HG13 VAL 20 -0.063 -5.990 6.967 162 HG21 VAL 20 HG21 VAL 20 2.996 -3.393 8.432 163 HG22 VAL 20 HG22 VAL 20 3.288 -4.660 7.234 164 HG23 VAL 20 HG23 VAL 20 2.439 -3.173 6.762 165 H GLU 21 H GLU 21 -1.185 -4.980 10.076 166 HA GLU 21 HA GLU 21 -3.205 -5.842 8.329 167 HB2 GLU 21 HB2 GLU 21 -4.386 -6.659 10.205 168 HB3 GLU 21 HB3 GLU 21 -2.659 -6.855 10.489 169 HG2 GLU 21 HG2 GLU 21 -2.686 -4.878 12.000 170 HG3 GLU 21 HG3 GLU 21 -4.442 -4.765 11.782 171 H ASP 22 H ASP 22 -3.118 -2.767 10.065 172 HA ASP 22 HA ASP 22 -5.856 -1.925 9.545 173 HB2 ASP 22 HB2 ASP 22 -4.492 -0.793 11.228 174 HB3 ASP 22 HB3 ASP 22 -3.256 -0.402 10.037 175 H ILE 23 H ILE 23 -2.714 -1.284 7.966 176 HA ILE 23 HA ILE 23 -3.771 0.269 5.842 177 HB ILE 23 HB ILE 23 -1.187 -1.311 6.121 178 HG12 ILE 23 HG12 ILE 23 -1.556 1.714 6.089 179 HG13 ILE 23 HG13 ILE 23 -1.754 0.790 7.577 180 HG21 ILE 23 HG21 ILE 23 -2.042 0.545 3.859 181 HG22 ILE 23 HG22 ILE 23 -0.360 0.097 4.166 182 HG23 ILE 23 HG23 ILE 23 -1.520 -1.155 3.737 183 HD11 ILE 23 HD11 ILE 23 0.443 1.681 7.486 184 HD12 ILE 23 HD12 ILE 23 0.548 -0.085 7.362 185 HD13 ILE 23 HD13 ILE 23 0.782 0.933 5.915 186 H LYS 24 H LYS 24 -3.130 -3.226 6.037 187 HA LYS 24 HA LYS 24 -4.007 -4.001 3.430 188 HB2 LYS 24 HB2 LYS 24 -4.159 -5.371 6.146 189 HB3 LYS 24 HB3 LYS 24 -4.710 -6.154 4.676 190 HG2 LYS 24 HG2 LYS 24 -1.860 -5.139 5.076 191 HG3 LYS 24 HG3 LYS 24 -2.415 -6.778 5.432 192 HD2 LYS 24 HD2 LYS 24 -3.199 -6.917 2.995 193 HD3 LYS 24 HD3 LYS 24 -2.347 -5.391 2.722 194 HE2 LYS 24 HE2 LYS 24 -0.924 -7.211 2.018 195 HE3 LYS 24 HE3 LYS 24 -0.214 -6.473 3.457 196 HZ1 LYS 24 HZ1 LYS 24 -1.896 -8.924 3.562 197 HZ2 LYS 24 HZ2 LYS 24 -1.007 -8.298 4.770 198 HZ3 LYS 24 HZ3 LYS 24 -0.221 -8.907 3.484 199 H ALA 25 H ALA 25 -6.029 -3.861 6.441 200 HA ALA 25 HA ALA 25 -8.447 -4.479 5.080 201 HB1 ALA 25 HB1 ALA 25 -7.977 -2.968 7.692 202 HB2 ALA 25 HB2 ALA 25 -9.521 -3.679 7.166 203 HB3 ALA 25 HB3 ALA 25 -8.136 -4.725 7.497 204 H LYS 26 H LYS 26 -7.057 -1.262 5.888 205 HA LYS 26 HA LYS 26 -9.306 0.203 4.785 206 HB2 LYS 26 HB2 LYS 26 -6.587 0.966 5.840 207 HB3 LYS 26 HB3 LYS 26 -7.465 2.103 4.810 208 HG2 LYS 26 HG2 LYS 26 -7.983 2.653 7.035 209 HG3 LYS 26 HG3 LYS 26 -9.431 1.929 6.333 210 HD2 LYS 26 HD2 LYS 26 -8.873 -0.229 7.498 211 HD3 LYS 26 HD3 LYS 26 -7.417 0.541 8.128 212 HE2 LYS 26 HE2 LYS 26 -8.987 2.344 9.102 213 HE3 LYS 26 HE3 LYS 26 -10.320 1.227 8.760 214 HZ1 LYS 26 HZ1 LYS 26 -9.251 -0.381 10.211 215 HZ2 LYS 26 HZ2 LYS 26 -9.371 1.057 11.039 216 HZ3 LYS 26 HZ3 LYS 26 -7.930 0.611 10.391 217 H MET 27 H MET 27 -6.221 -0.874 3.283 218 HA MET 27 HA MET 27 -6.840 0.379 0.746 219 HB2 MET 27 HB2 MET 27 -5.070 -1.990 1.436 220 HB3 MET 27 HB3 MET 27 -5.307 -1.394 -0.211 221 HG2 MET 27 HG2 MET 27 -4.567 0.886 0.570 222 HG3 MET 27 HG3 MET 27 -4.094 0.160 2.091 223 HE1 MET 27 HE1 MET 27 -2.489 -2.241 1.899 224 HE2 MET 27 HE2 MET 27 -3.045 -2.782 0.295 225 HE3 MET 27 HE3 MET 27 -1.328 -2.453 0.565 226 H GLN 28 H GLN 28 -7.719 -2.882 2.087 227 HA GLN 28 HA GLN 28 -8.873 -3.773 -0.389 228 HB2 GLN 28 HB2 GLN 28 -9.603 -4.679 2.425 229 HB3 GLN 28 HB3 GLN 28 -10.018 -5.472 0.915 230 HG2 GLN 28 HG2 GLN 28 -7.456 -5.536 2.410 231 HG3 GLN 28 HG3 GLN 28 -8.265 -6.781 1.527 232 HE21 GLN 28 HE21 GLN 28 -5.799 -4.344 1.346 233 HE22 GLN 28 HE22 GLN 28 -5.349 -4.681 -0.347 234 H ALA 29 H ALA 29 -10.376 -2.072 2.401 235 HA ALA 29 HA ALA 29 -12.998 -1.906 1.234 236 HB1 ALA 29 HB1 ALA 29 -11.559 -0.065 3.190 237 HB2 ALA 29 HB2 ALA 29 -13.299 -0.031 2.829 238 HB3 ALA 29 HB3 ALA 29 -12.586 -1.460 3.596 239 H SER 30 H SER 30 -10.232 0.452 1.125 240 HA SER 30 HA SER 30 -11.440 2.359 -0.515 241 HB2 SER 30 HB2 SER 30 -8.515 1.530 -0.377 242 HB3 SER 30 HB3 SER 30 -9.105 2.994 -1.183 243 HG SER 30 HG SER 30 -8.390 2.986 1.207 244 H ILE 31 H ILE 31 -9.519 -0.471 -1.631 245 HA ILE 31 HA ILE 31 -9.787 0.230 -4.396 246 HB ILE 31 HB ILE 31 -7.894 -0.998 -3.172 247 HG12 ILE 31 HG12 ILE 31 -8.825 -2.083 -5.857 248 HG13 ILE 31 HG13 ILE 31 -7.969 -0.561 -5.596 249 HG21 ILE 31 HG21 ILE 31 -9.457 -2.816 -2.268 250 HG22 ILE 31 HG22 ILE 31 -9.444 -3.522 -3.891 251 HG23 ILE 31 HG23 ILE 31 -7.938 -3.368 -2.966 252 HD11 ILE 31 HD11 ILE 31 -6.880 -3.356 -5.049 253 HD12 ILE 31 HD12 ILE 31 -6.400 -2.237 -6.328 254 HD13 ILE 31 HD13 ILE 31 -6.043 -1.838 -4.636 255 H GLU 32 H GLU 32 -11.828 -1.767 -2.321 256 HA GLU 32 HA GLU 32 -13.327 -2.778 -4.694 257 HB2 GLU 32 HB2 GLU 32 -13.638 -3.286 -1.730 258 HB3 GLU 32 HB3 GLU 32 -14.716 -3.933 -2.958 259 HG2 GLU 32 HG2 GLU 32 -11.714 -4.480 -2.838 260 HG3 GLU 32 HG3 GLU 32 -12.967 -5.557 -2.248 261 H LYS 33 H LYS 33 -13.409 -0.006 -2.710 262 HA LYS 33 HA LYS 33 -16.249 0.565 -3.480 263 HB2 LYS 33 HB2 LYS 33 -14.829 1.401 -0.941 264 HB3 LYS 33 HB3 LYS 33 -16.512 1.704 -1.357 265 HG2 LYS 33 HG2 LYS 33 -17.011 -0.713 -1.333 266 HG3 LYS 33 HG3 LYS 33 -15.323 -1.086 -1.005 267 HD2 LYS 33 HD2 LYS 33 -16.383 -1.288 1.051 268 HD3 LYS 33 HD3 LYS 33 -15.487 0.233 1.135 269 HE2 LYS 33 HE2 LYS 33 -17.615 1.470 0.631 270 HE3 LYS 33 HE3 LYS 33 -18.476 -0.079 0.574 271 HZ1 LYS 33 HZ1 LYS 33 -17.755 -0.435 2.906 272 HZ2 LYS 33 HZ2 LYS 33 -18.714 0.917 2.736 273 HZ3 LYS 33 HZ3 LYS 33 -17.095 1.076 2.926 274 H GLY 34 H GLY 34 -13.435 1.550 -4.652 275 HA2 GLY 34 HA2 GLY 34 -14.327 3.668 -6.022 276 HA3 GLY 34 HA3 GLY 34 -13.891 4.473 -4.517 277 H GLY 35 H GLY 35 -11.462 2.277 -4.651 278 HA2 GLY 35 HA2 GLY 35 -9.524 2.093 -6.098 279 HA3 GLY 35 HA3 GLY 35 -9.787 3.725 -6.673 280 H SER 36 H SER 36 -8.674 5.332 -5.717 281 HA SER 36 HA SER 36 -7.033 6.383 -4.613 282 HB2 SER 36 HB2 SER 36 -7.533 4.652 -2.184 283 HB3 SER 36 HB3 SER 36 -6.730 6.229 -2.258 284 HG SER 36 HG SER 36 -8.850 6.967 -3.195 285 H LEU 37 H LEU 37 -4.922 5.999 -3.309 286 HA LEU 37 HA LEU 37 -2.880 5.290 -3.128 287 HB2 LEU 37 HB2 LEU 37 -3.973 2.544 -3.810 288 HB3 LEU 37 HB3 LEU 37 -2.272 2.820 -3.589 289 HG LEU 37 HG LEU 37 -3.286 1.887 -1.616 290 HD11 LEU 37 HD11 LEU 37 -1.296 3.355 -1.402 291 HD12 LEU 37 HD12 LEU 37 -2.317 3.350 0.040 292 HD13 LEU 37 HD13 LEU 37 -2.368 4.731 -1.058 293 HD21 LEU 37 HD21 LEU 37 -5.541 2.928 -1.739 294 HD22 LEU 37 HD22 LEU 37 -4.826 4.473 -1.205 295 HD23 LEU 37 HD23 LEU 37 -4.785 3.064 -0.145 296 HA PRO 38 HA PRO 38 -0.808 6.034 -6.876 297 HB2 PRO 38 HB2 PRO 38 1.305 4.093 -5.934 298 HB3 PRO 38 HB3 PRO 38 1.525 5.702 -6.681 299 HG2 PRO 38 HG2 PRO 38 1.682 5.484 -4.013 300 HG3 PRO 38 HG3 PRO 38 0.699 6.806 -4.711 301 HD2 PRO 38 HD2 PRO 38 -0.243 4.151 -3.599 302 HD3 PRO 38 HD3 PRO 38 -0.894 5.793 -3.335 303 H LYS 39 H LYS 39 -0.164 5.315 -8.892 304 HA LYS 39 HA LYS 39 -1.406 2.777 -9.842 305 HB2 LYS 39 HB2 LYS 39 -2.214 4.961 -10.668 306 HB3 LYS 39 HB3 LYS 39 -0.590 5.400 -11.160 307 HG2 LYS 39 HG2 LYS 39 -1.895 4.949 -13.065 308 HG3 LYS 39 HG3 LYS 39 -0.648 3.741 -12.984 309 HD2 LYS 39 HD2 LYS 39 -3.497 3.251 -11.995 310 HD3 LYS 39 HD3 LYS 39 -3.059 3.075 -13.686 311 HE2 LYS 39 HE2 LYS 39 -1.886 1.445 -11.399 312 HE3 LYS 39 HE3 LYS 39 -3.134 0.921 -12.532 313 HZ1 LYS 39 HZ1 LYS 39 -0.295 1.468 -13.116 314 HZ2 LYS 39 HZ2 LYS 39 -1.442 1.328 -14.331 315 HZ3 LYS 39 HZ3 LYS 39 -1.126 0.079 -13.360 316 H VAL 40 H VAL 40 1.724 3.858 -9.130 317 HA VAL 40 HA VAL 40 2.927 1.756 -10.813 318 HB VAL 40 HB VAL 40 2.940 3.756 -12.209 319 HG11 VAL 40 HG11 VAL 40 4.328 5.698 -11.685 320 HG12 VAL 40 HG12 VAL 40 3.040 5.510 -10.488 321 HG13 VAL 40 HG13 VAL 40 4.708 5.020 -10.089 322 HG21 VAL 40 HG21 VAL 40 4.764 2.115 -12.442 323 HG22 VAL 40 HG22 VAL 40 5.272 3.759 -12.851 324 HG23 VAL 40 HG23 VAL 40 5.751 3.060 -11.300 325 H GLU 41 H GLU 41 4.831 0.932 -10.133 326 HA GLU 41 HA GLU 41 4.895 0.454 -7.432 327 HB2 GLU 41 HB2 GLU 41 5.701 -1.008 -9.222 328 HB3 GLU 41 HB3 GLU 41 7.088 0.053 -9.484 329 HG2 GLU 41 HG2 GLU 41 7.874 -0.462 -7.163 330 HG3 GLU 41 HG3 GLU 41 6.474 -1.528 -6.952 331 H ALA 42 H ALA 42 7.487 2.487 -9.068 332 HA ALA 42 HA ALA 42 8.919 2.841 -6.651 333 HB1 ALA 42 HB1 ALA 42 10.123 4.596 -7.809 334 HB2 ALA 42 HB2 ALA 42 9.788 3.288 -8.959 335 HB3 ALA 42 HB3 ALA 42 8.818 4.779 -8.984 336 H LYS 43 H LYS 43 6.263 4.793 -7.988 337 HA LYS 43 HA LYS 43 6.242 6.846 -5.938 338 HB2 LYS 43 HB2 LYS 43 3.965 5.810 -7.694 339 HB3 LYS 43 HB3 LYS 43 3.914 7.239 -6.652 340 HG2 LYS 43 HG2 LYS 43 5.906 8.137 -7.952 341 HG3 LYS 43 HG3 LYS 43 5.658 6.815 -9.097 342 HD2 LYS 43 HD2 LYS 43 3.301 7.603 -9.445 343 HD3 LYS 43 HD3 LYS 43 3.603 8.938 -8.324 344 HE2 LYS 43 HE2 LYS 43 5.434 9.743 -9.834 345 HE3 LYS 43 HE3 LYS 43 5.009 8.469 -10.993 346 HZ1 LYS 43 HZ1 LYS 43 3.152 10.591 -10.032 347 HZ2 LYS 43 HZ2 LYS 43 2.773 9.448 -11.132 348 HZ3 LYS 43 HZ3 LYS 43 3.891 10.615 -11.477 349 H PHE 44 H PHE 44 4.679 3.634 -6.211 350 HA PHE 44 HA PHE 44 3.179 3.901 -3.808 351 HB2 PHE 44 HB2 PHE 44 2.722 2.223 -5.590 352 HB3 PHE 44 HB3 PHE 44 4.182 1.357 -5.151 353 HD1 PHE 44 HD1 PHE 44 0.751 2.236 -4.094 354 HD2 PHE 44 HD2 PHE 44 4.295 -0.016 -3.119 355 HE1 PHE 44 HE1 PHE 44 -0.517 0.990 -2.352 356 HE2 PHE 44 HE2 PHE 44 3.021 -1.286 -1.416 357 HZ PHE 44 HZ PHE 44 0.601 -0.788 -1.038 358 H ILE 45 H ILE 45 6.455 2.535 -4.362 359 HA ILE 45 HA ILE 45 7.035 1.830 -1.655 360 HB ILE 45 HB ILE 45 8.903 2.798 -3.860 361 HG12 ILE 45 HG12 ILE 45 8.327 -0.051 -2.928 362 HG13 ILE 45 HG13 ILE 45 7.558 0.673 -4.317 363 HG21 ILE 45 HG21 ILE 45 10.725 1.736 -2.545 364 HG22 ILE 45 HG22 ILE 45 9.987 3.042 -1.645 365 HG23 ILE 45 HG23 ILE 45 9.572 1.361 -1.247 366 HD11 ILE 45 HD11 ILE 45 10.525 0.085 -4.032 367 HD12 ILE 45 HD12 ILE 45 9.354 -0.697 -5.097 368 HD13 ILE 45 HD13 ILE 45 9.803 0.995 -5.382 369 H ASN 46 H ASN 46 7.612 4.947 -3.365 370 HA ASN 46 HA ASN 46 8.533 6.419 -1.095 371 HB2 ASN 46 HB2 ASN 46 8.968 7.454 -3.111 372 HB3 ASN 46 HB3 ASN 46 7.424 7.015 -3.826 373 HD21 ASN 46 HD21 ASN 46 5.564 8.275 -3.422 374 HD22 ASN 46 HD22 ASN 46 5.713 9.905 -2.786 375 H TYR 47 H TYR 47 5.168 5.889 -2.253 376 HA TYR 47 HA TYR 47 3.912 7.634 -0.405 377 HB2 TYR 47 HB2 TYR 47 2.839 6.745 -2.390 378 HB3 TYR 47 HB3 TYR 47 2.803 5.125 -1.687 379 HD1 TYR 47 HD1 TYR 47 1.328 4.646 0.309 380 HD2 TYR 47 HD2 TYR 47 1.272 8.462 -1.718 381 HE1 TYR 47 HE1 TYR 47 -0.782 5.250 1.483 382 HE2 TYR 47 HE2 TYR 47 -0.855 9.031 -0.580 383 HH TYR 47 HH TYR 47 -2.406 8.401 0.941 384 H VAL 48 H VAL 48 4.443 4.067 -0.141 385 HA VAL 48 HA VAL 48 3.503 3.785 2.533 386 HB VAL 48 HB VAL 48 5.592 2.207 0.976 387 HG11 VAL 48 HG11 VAL 48 4.314 1.596 3.675 388 HG12 VAL 48 HG12 VAL 48 5.131 0.386 2.665 389 HG13 VAL 48 HG13 VAL 48 6.052 1.748 3.305 390 HG21 VAL 48 HG21 VAL 48 3.290 2.124 0.052 391 HG22 VAL 48 HG22 VAL 48 3.746 0.571 0.750 392 HG23 VAL 48 HG23 VAL 48 2.662 1.663 1.645 393 H LYS 49 H LYS 49 6.872 4.454 1.411 394 HA LYS 49 HA LYS 49 7.946 4.523 4.077 395 HB2 LYS 49 HB2 LYS 49 8.967 5.532 1.396 396 HB3 LYS 49 HB3 LYS 49 9.893 5.687 2.892 397 HG2 LYS 49 HG2 LYS 49 9.773 3.234 3.257 398 HG3 LYS 49 HG3 LYS 49 8.915 3.044 1.714 399 HD2 LYS 49 HD2 LYS 49 10.820 4.025 0.511 400 HD3 LYS 49 HD3 LYS 49 11.660 4.315 2.051 401 HE2 LYS 49 HE2 LYS 49 11.567 1.820 2.481 402 HE3 LYS 49 HE3 LYS 49 10.942 1.624 0.834 403 HZ1 LYS 49 HZ1 LYS 49 13.597 2.718 1.602 404 HZ2 LYS 49 HZ2 LYS 49 13.020 2.744 0.060 405 HZ3 LYS 49 HZ3 LYS 49 13.288 1.309 0.849 406 H ASN 50 H ASN 50 6.251 7.057 2.381 407 HA ASN 50 HA ASN 50 7.070 8.932 4.554 408 HB2 ASN 50 HB2 ASN 50 7.025 10.642 3.177 409 HB3 ASN 50 HB3 ASN 50 7.261 9.419 1.941 410 HD21 ASN 50 HD21 ASN 50 5.155 8.604 0.903 411 HD22 ASN 50 HD22 ASN 50 3.980 9.890 0.571 412 H CYS 51 H CYS 51 4.343 7.055 3.643 413 HA CYS 51 HA CYS 51 2.561 8.707 5.358 414 HB2 CYS 51 HB2 CYS 51 1.911 6.536 3.329 415 HB3 CYS 51 HB3 CYS 51 0.741 7.469 4.266 416 HG CYS 51 HG CYS 51 2.958 8.481 2.058 417 H PHE 52 H PHE 52 4.344 5.750 5.565 418 HA PHE 52 HA PHE 52 3.041 5.200 8.162 419 HB2 PHE 52 HB2 PHE 52 1.931 3.708 6.650 420 HB3 PHE 52 HB3 PHE 52 3.427 3.193 5.912 421 HD1 PHE 52 HD2 PHE 52 1.989 3.365 9.413 422 HD2 PHE 52 HD1 PHE 52 4.022 0.995 6.438 423 HE1 PHE 52 HE2 PHE 52 2.082 1.455 10.999 424 HE2 PHE 52 HE1 PHE 52 4.034 -0.935 8.006 425 HZ PHE 52 HZ PHE 52 3.110 -0.696 10.292 426 H ARG 53 H ARG 53 4.356 3.528 9.381 427 HA ARG 53 HA ARG 53 6.984 4.772 9.752 428 HB2 ARG 53 HB2 ARG 53 5.467 2.762 11.475 429 HB3 ARG 53 HB3 ARG 53 6.883 3.689 11.956 430 HG2 ARG 53 HG2 ARG 53 4.111 4.810 11.362 431 HG3 ARG 53 HG3 ARG 53 4.901 4.672 12.938 432 HD2 ARG 53 HD2 ARG 53 6.695 6.231 12.139 433 HD3 ARG 53 HD3 ARG 53 5.815 6.398 10.606 434 HE ARG 53 HE ARG 53 4.070 7.074 12.792 435 HH11 ARG 53 HH11 ARG 53 6.735 8.413 10.877 436 HH12 ARG 53 HH12 ARG 53 6.132 10.046 11.152 437 HH21 ARG 53 HH21 ARG 53 3.522 9.125 13.109 438 HH22 ARG 53 HH22 ARG 53 4.464 10.444 12.368 439 H MET 54 H MET 54 6.098 1.822 8.253 440 HA MET 54 HA MET 54 8.660 0.508 8.967 441 HB2 MET 54 HB2 MET 54 6.283 -0.387 7.315 442 HB3 MET 54 HB3 MET 54 7.789 -1.294 7.388 443 HG2 MET 54 HG2 MET 54 7.604 -1.341 9.903 444 HG3 MET 54 HG3 MET 54 6.023 -0.579 9.757 445 HE1 MET 54 HE1 MET 54 8.103 -3.827 9.631 446 HE2 MET 54 HE2 MET 54 7.120 -4.927 8.641 447 HE3 MET 54 HE3 MET 54 7.944 -3.552 7.881 448 H THR 55 H THR 55 10.089 -0.339 7.408 449 HA THR 55 HA THR 55 10.257 1.041 4.770 450 HB THR 55 HB THR 55 12.748 1.249 5.125 451 HG1 THR 55 HG1 THR 55 13.121 -0.030 6.873 452 HG21 THR 55 HG21 THR 55 11.090 2.856 7.112 453 HG22 THR 55 HG22 THR 55 11.178 3.193 5.368 454 HG23 THR 55 HG23 THR 55 12.632 3.315 6.369 455 H ASP 56 H ASP 56 10.346 -1.912 6.450 456 HA ASP 56 HA ASP 56 12.195 -3.442 4.999 457 HB2 ASP 56 HB2 ASP 56 9.595 -4.100 6.387 458 HB3 ASP 56 HB3 ASP 56 10.416 -5.339 5.455 459 H GLN 57 H GLN 57 12.350 -4.254 3.032 460 HA GLN 57 HA GLN 57 10.445 -3.408 1.084 461 HB2 GLN 57 HB2 GLN 57 12.982 -3.629 0.811 462 HB3 GLN 57 HB3 GLN 57 12.710 -5.358 0.572 463 HG2 GLN 57 HG2 GLN 57 12.870 -4.098 -1.576 464 HG3 GLN 57 HG3 GLN 57 11.313 -4.896 -1.389 465 HE21 GLN 57 HE21 GLN 57 10.485 -3.361 -3.004 466 HE22 GLN 57 HE22 GLN 57 9.854 -1.837 -2.345 467 H GLU 58 H GLU 58 10.865 -6.477 2.749 468 HA GLU 58 HA GLU 58 9.089 -8.080 1.198 469 HB2 GLU 58 HB2 GLU 58 10.450 -9.056 2.962 470 HB3 GLU 58 HB3 GLU 58 9.686 -8.038 4.177 471 HG2 GLU 58 HG2 GLU 58 8.772 -10.230 4.391 472 HG3 GLU 58 HG3 GLU 58 7.511 -9.193 3.818 473 H ALA 59 H ALA 59 8.301 -5.878 4.000 474 HA ALA 59 HA ALA 59 5.463 -6.484 3.779 475 HB1 ALA 59 HB1 ALA 59 6.453 -5.802 5.886 476 HB2 ALA 59 HB2 ALA 59 6.866 -4.204 5.197 477 HB3 ALA 59 HB3 ALA 59 5.157 -4.688 5.360 478 H ILE 60 H ILE 60 7.568 -3.873 2.521 479 HA ILE 60 HA ILE 60 5.603 -2.231 1.287 480 HB ILE 60 HB ILE 60 8.481 -2.853 0.721 481 HG12 ILE 60 HG12 ILE 60 7.113 -0.318 1.703 482 HG13 ILE 60 HG13 ILE 60 7.718 -1.573 2.786 483 HG21 ILE 60 HG21 ILE 60 6.745 -0.800 -0.739 484 HG22 ILE 60 HG22 ILE 60 8.516 -0.913 -0.837 485 HG23 ILE 60 HG23 ILE 60 7.531 -2.217 -1.472 486 HD11 ILE 60 HD11 ILE 60 9.356 0.175 2.666 487 HD12 ILE 60 HD12 ILE 60 10.004 -1.260 1.845 488 HD13 ILE 60 HD13 ILE 60 9.396 0.116 0.899 489 H GLN 61 H GLN 61 7.210 -5.163 -0.127 490 HA GLN 61 HA GLN 61 5.427 -4.956 -2.430 491 HB2 GLN 61 HB2 GLN 61 6.537 -6.825 -3.359 492 HB3 GLN 61 HB3 GLN 61 7.705 -5.693 -2.691 493 HG2 GLN 61 HG2 GLN 61 8.535 -7.790 -2.093 494 HG3 GLN 61 HG3 GLN 61 7.818 -7.161 -0.627 495 HE21 GLN 61 HE21 GLN 61 6.781 -8.755 0.502 496 HE22 GLN 61 HE22 GLN 61 6.020 -10.169 -0.210 497 H ASP 62 H ASP 62 5.174 -6.755 0.648 498 HA ASP 62 HA ASP 62 3.006 -8.448 -0.276 499 HB2 ASP 62 HB2 ASP 62 4.385 -8.771 1.813 500 HB3 ASP 62 HB3 ASP 62 3.523 -7.425 2.539 501 H LEU 63 H LEU 63 3.171 -5.188 1.157 502 HA LEU 63 HA LEU 63 0.420 -4.488 1.061 503 HB2 LEU 63 HB2 LEU 63 3.044 -3.082 1.182 504 HB3 LEU 63 HB3 LEU 63 1.730 -2.154 0.486 505 HG LEU 63 HG LEU 63 0.348 -2.512 2.504 506 HD11 LEU 63 HD11 LEU 63 1.360 -3.246 4.574 507 HD12 LEU 63 HD12 LEU 63 2.866 -3.666 3.754 508 HD13 LEU 63 HD13 LEU 63 1.386 -4.583 3.402 509 HD21 LEU 63 HD21 LEU 63 1.681 -0.482 2.250 510 HD22 LEU 63 HD22 LEU 63 3.113 -1.296 2.924 511 HD23 LEU 63 HD23 LEU 63 1.700 -0.983 3.949 512 H TRP 64 H TRP 64 3.019 -4.130 -1.441 513 HA TRP 64 HA TRP 64 1.354 -2.929 -3.396 514 HB2 TRP 64 HB2 TRP 64 3.921 -3.036 -3.344 515 HB3 TRP 64 HB3 TRP 64 3.774 -4.646 -4.012 516 HD1 TRP 64 HD1 TRP 64 2.072 -1.285 -4.992 517 HE1 TRP 64 HE1 TRP 64 2.252 -0.968 -7.550 518 HE3 TRP 64 HE3 TRP 64 4.810 -5.462 -6.145 519 HZ2 TRP 64 HZ2 TRP 64 3.471 -2.311 -9.759 520 HZ3 TRP 64 HZ3 TRP 64 5.426 -5.936 -8.502 521 HH2 TRP 64 HH2 TRP 64 4.780 -4.367 -10.310 522 H GLN 65 H GLN 65 2.195 -6.410 -3.013 523 HA GLN 65 HA GLN 65 0.528 -7.406 -5.128 524 HB2 GLN 65 HB2 GLN 65 1.786 -8.495 -2.627 525 HB3 GLN 65 HB3 GLN 65 0.447 -9.397 -3.307 526 HG2 GLN 65 HG2 GLN 65 2.736 -10.125 -4.061 527 HG3 GLN 65 HG3 GLN 65 1.527 -9.877 -5.298 528 HE21 GLN 65 HE21 GLN 65 4.136 -7.881 -3.696 529 HE22 GLN 65 HE22 GLN 65 4.822 -7.411 -5.250 530 H TRP 66 H TRP 66 -0.268 -6.553 -1.715 531 HA TRP 66 HA TRP 66 -3.105 -7.039 -2.190 532 HB2 TRP 66 HB2 TRP 66 -1.456 -6.340 0.171 533 HB3 TRP 66 HB3 TRP 66 -3.114 -5.799 0.190 534 HD1 TRP 66 HD1 TRP 66 -4.850 -7.396 0.982 535 HE1 TRP 66 HE1 TRP 66 -5.176 -9.911 1.168 536 HE3 TRP 66 HE3 TRP 66 -0.381 -8.944 -1.015 537 HZ2 TRP 66 HZ2 TRP 66 -3.779 -12.306 0.366 538 HZ3 TRP 66 HZ3 TRP 66 0.022 -11.354 -1.423 539 HH2 TRP 66 HH2 TRP 66 -1.666 -13.046 -0.745 540 H ARG 67 H ARG 67 -1.490 -4.770 -3.663 541 HA ARG 67 HA ARG 67 -4.187 -3.597 -4.010 542 HB2 ARG 67 HB2 ARG 67 -3.548 -1.411 -4.464 543 HB3 ARG 67 HB3 ARG 67 -2.758 -1.875 -2.982 544 HG2 ARG 67 HG2 ARG 67 -1.134 -0.652 -4.060 545 HG3 ARG 67 HG3 ARG 67 -0.647 -2.301 -4.383 546 HD2 ARG 67 HD2 ARG 67 -0.287 -1.117 -6.383 547 HD3 ARG 67 HD3 ARG 67 -1.746 -2.023 -6.703 548 HE ARG 67 HE ARG 67 -1.424 0.883 -6.537 549 HH11 ARG 67 HH11 ARG 67 -3.901 -1.676 -6.801 550 HH12 ARG 67 HH12 ARG 67 -4.977 -0.507 -7.518 551 HH21 ARG 67 HH21 ARG 67 -2.911 2.129 -7.432 552 HH22 ARG 67 HH22 ARG 67 -4.486 1.476 -7.849 553 H LYS 68 H LYS 68 -1.490 -5.095 -5.671 554 HA LYS 68 HA LYS 68 -3.115 -4.876 -8.190 555 HB2 LYS 68 HB2 LYS 68 -1.046 -4.636 -9.514 556 HB3 LYS 68 HB3 LYS 68 -1.485 -3.286 -8.516 557 HG2 LYS 68 HG2 LYS 68 0.912 -3.624 -8.536 558 HG3 LYS 68 HG3 LYS 68 0.262 -3.757 -6.924 559 HD2 LYS 68 HD2 LYS 68 1.886 -5.489 -7.096 560 HD3 LYS 68 HD3 LYS 68 0.355 -6.326 -7.234 561 HE2 LYS 68 HE2 LYS 68 0.613 -6.094 -9.788 562 HE3 LYS 68 HE3 LYS 68 2.245 -5.485 -9.477 563 HZ1 LYS 68 HZ1 LYS 68 1.188 -8.171 -8.814 564 HZ2 LYS 68 HZ2 LYS 68 2.619 -7.647 -8.257 565 HZ3 LYS 68 HZ3 LYS 68 2.387 -7.805 -9.897 566 H SER 69 H SER 69 -2.462 -7.217 -6.168 567 HA SER 69 HA SER 69 -2.394 -9.245 -8.362 568 HB2 SER 69 HB2 SER 69 -0.892 -9.425 -5.728 569 HB3 SER 69 HB3 SER 69 -1.039 -10.713 -6.935 570 HG SER 69 HG SER 69 0.781 -9.825 -7.490 571 H LEU 70 H LEU 70 -4.735 -8.404 -7.655 572 HA LEU 70 HA LEU 70 -5.934 -10.333 -5.707 573 HB2 LEU 70 HB2 LEU 70 -6.512 -7.368 -6.105 574 HB3 LEU 70 HB3 LEU 70 -7.430 -8.430 -5.053 575 HG LEU 70 HG LEU 70 -4.482 -7.751 -4.658 576 HD11 LEU 70 HD11 LEU 70 -7.016 -6.643 -3.403 577 HD12 LEU 70 HD12 LEU 70 -5.852 -5.765 -4.415 578 HD13 LEU 70 HD13 LEU 70 -5.387 -6.341 -2.802 579 HD21 LEU 70 HD21 LEU 70 -6.525 -9.119 -2.854 580 HD22 LEU 70 HD22 LEU 70 -4.879 -8.657 -2.382 581 HD23 LEU 70 HD23 LEU 70 -5.112 -9.895 -3.624 Start of MODEL 13 1 H GLN 1 H1 GLN 1 -38.055 -0.509 29.523 2 HA GLN 1 HA GLN 1 -38.279 -1.510 26.782 3 HB2 GLN 1 HB2 GLN 1 -40.215 -1.882 28.362 4 HB3 GLN 1 HB3 GLN 1 -40.430 -0.136 28.433 5 HG2 GLN 1 HG2 GLN 1 -40.830 -0.047 26.007 6 HG3 GLN 1 HG3 GLN 1 -40.457 -1.766 25.860 7 HE21 GLN 1 HE21 GLN 1 -42.704 -1.374 24.760 8 HE22 GLN 1 HE22 GLN 1 -44.066 -1.823 25.803 9 H GLU 2 H GLU 2 -38.782 1.632 28.593 10 HA GLU 2 HA GLU 2 -39.112 2.875 26.016 11 HB2 GLU 2 HB2 GLU 2 -39.161 4.269 28.704 12 HB3 GLU 2 HB3 GLU 2 -39.943 4.735 27.204 13 HG2 GLU 2 HG2 GLU 2 -41.780 3.833 28.117 14 HG3 GLU 2 HG3 GLU 2 -41.131 2.302 27.549 15 H SER 3 H SER 3 -36.246 2.641 27.883 16 HA SER 3 HA SER 3 -34.897 4.463 26.021 17 HB2 SER 3 HB2 SER 3 -35.574 5.993 27.834 18 HB3 SER 3 HB3 SER 3 -34.761 4.954 29.024 19 HG SER 3 HG SER 3 -33.452 6.740 28.295 20 H PHE 4 H PHE 4 -32.698 4.095 25.814 21 HA PHE 4 HA PHE 4 -31.502 1.679 27.091 22 HB2 PHE 4 HB2 PHE 4 -30.555 3.591 24.929 23 HB3 PHE 4 HB3 PHE 4 -29.584 2.301 25.608 24 HD1 PHE 4 HD2 PHE 4 -30.059 -0.063 25.132 25 HD2 PHE 4 HD1 PHE 4 -32.364 3.115 23.345 26 HE1 PHE 4 HE2 PHE 4 -30.895 -1.636 23.403 27 HE2 PHE 4 HE1 PHE 4 -33.182 1.541 21.606 28 HZ PHE 4 HZ PHE 4 -32.438 -0.819 21.620 29 H LYS 5 H LYS 5 -31.612 5.096 27.391 30 HA LYS 5 HA LYS 5 -30.650 6.683 28.616 31 HB2 LYS 5 HB2 LYS 5 -29.782 4.369 30.356 32 HB3 LYS 5 HB3 LYS 5 -29.662 6.065 30.838 33 HG2 LYS 5 HG2 LYS 5 -32.049 6.364 30.797 34 HG3 LYS 5 HG3 LYS 5 -32.309 4.835 29.961 35 HD2 LYS 5 HD2 LYS 5 -33.006 4.512 32.157 36 HD3 LYS 5 HD3 LYS 5 -31.514 3.596 31.953 37 HE2 LYS 5 HE2 LYS 5 -30.260 5.322 33.186 38 HE3 LYS 5 HE3 LYS 5 -31.704 6.350 33.270 39 HZ1 LYS 5 HZ1 LYS 5 -31.508 3.641 34.466 40 HZ2 LYS 5 HZ2 LYS 5 -32.797 4.610 34.567 41 HZ3 LYS 5 HZ3 LYS 5 -31.375 5.044 35.316 42 H LYS 6 H LYS 6 -28.868 7.904 29.028 43 HA LYS 6 HA LYS 6 -26.942 8.917 28.430 44 HB2 LYS 6 HB2 LYS 6 -25.719 6.173 28.863 45 HB3 LYS 6 HB3 LYS 6 -24.800 7.656 28.595 46 HG2 LYS 6 HG2 LYS 6 -25.868 8.706 30.545 47 HG3 LYS 6 HG3 LYS 6 -26.786 7.228 30.877 48 HD2 LYS 6 HD2 LYS 6 -24.759 5.995 31.396 49 HD3 LYS 6 HD3 LYS 6 -23.746 7.334 30.822 50 HE2 LYS 6 HE2 LYS 6 -24.766 8.809 32.572 51 HE3 LYS 6 HE3 LYS 6 -25.622 7.410 33.224 52 HZ1 LYS 6 HZ1 LYS 6 -23.527 6.417 33.783 53 HZ2 LYS 6 HZ2 LYS 6 -23.516 7.944 34.370 54 HZ3 LYS 6 HZ3 LYS 6 -22.658 7.598 33.005 55 H GLN 7 H GLN 7 -26.285 5.924 26.576 56 HA GLN 7 HA GLN 7 -25.590 5.625 24.430 57 HB2 GLN 7 HB2 GLN 7 -27.838 7.578 23.868 58 HB3 GLN 7 HB3 GLN 7 -27.179 6.416 22.723 59 HG2 GLN 7 HG2 GLN 7 -28.642 5.658 25.283 60 HG3 GLN 7 HG3 GLN 7 -29.345 5.747 23.683 61 HE21 GLN 7 HE21 GLN 7 -29.163 3.953 22.274 62 HE22 GLN 7 HE22 GLN 7 -28.211 2.546 22.708 63 H GLU 8 H GLU 8 -24.189 8.033 25.709 64 HA GLU 8 HA GLU 8 -24.314 10.218 23.923 65 HB2 GLU 8 HB2 GLU 8 -22.185 9.604 26.004 66 HB3 GLU 8 HB3 GLU 8 -22.441 11.154 25.194 67 HG2 GLU 8 HG2 GLU 8 -24.883 10.957 26.117 68 HG3 GLU 8 HG3 GLU 8 -24.183 9.793 27.253 69 H LYS 9 H LYS 9 -21.787 7.757 24.064 70 HA LYS 9 HA LYS 9 -20.518 8.817 21.611 71 HB2 LYS 9 HB2 LYS 9 -18.468 9.402 22.763 72 HB3 LYS 9 HB3 LYS 9 -19.783 10.383 23.345 73 HG2 LYS 9 HG2 LYS 9 -19.895 9.191 25.444 74 HG3 LYS 9 HG3 LYS 9 -18.811 7.933 24.866 75 HD2 LYS 9 HD2 LYS 9 -17.567 9.347 26.338 76 HD3 LYS 9 HD3 LYS 9 -16.968 9.599 24.693 77 HE2 LYS 9 HE2 LYS 9 -18.414 11.672 24.556 78 HE3 LYS 9 HE3 LYS 9 -18.874 11.413 26.246 79 HZ1 LYS 9 HZ1 LYS 9 -16.102 11.882 25.263 80 HZ2 LYS 9 HZ2 LYS 9 -16.504 11.655 26.837 81 HZ3 LYS 9 HZ3 LYS 9 -17.049 12.977 26.062 82 H THR 10 H THR 10 -18.729 7.580 20.851 83 HA THR 10 HA THR 10 -18.398 4.862 22.072 84 HB THR 10 HB THR 10 -18.153 3.908 19.821 85 HG1 THR 10 HG1 THR 10 -17.761 5.860 18.754 86 HG21 THR 10 HG21 THR 10 -20.872 5.237 20.183 87 HG22 THR 10 HG22 THR 10 -20.327 3.802 21.075 88 HG23 THR 10 HG23 THR 10 -20.503 3.727 19.319 89 HA PRO 11 HA PRO 11 -14.458 7.221 21.626 90 HB2 PRO 11 HB2 PRO 11 -13.560 7.199 24.182 91 HB3 PRO 11 HB3 PRO 11 -14.976 8.180 23.708 92 HG2 PRO 11 HG2 PRO 11 -14.981 5.408 24.946 93 HG3 PRO 11 HG3 PRO 11 -15.874 6.861 25.501 94 HD2 PRO 11 HD2 PRO 11 -17.003 4.955 23.883 95 HD3 PRO 11 HD3 PRO 11 -17.414 6.689 23.752 96 H LYS 12 H LYS 12 -12.136 6.692 22.330 97 HA LYS 12 HA LYS 12 -10.298 5.405 22.214 98 HB2 LYS 12 HB2 LYS 12 -11.401 4.767 24.474 99 HB3 LYS 12 HB3 LYS 12 -11.790 3.241 23.706 100 HG2 LYS 12 HG2 LYS 12 -9.809 2.886 24.946 101 HG3 LYS 12 HG3 LYS 12 -9.317 2.918 23.261 102 HD2 LYS 12 HD2 LYS 12 -7.683 4.065 24.579 103 HD3 LYS 12 HD3 LYS 12 -8.489 5.264 23.570 104 HE2 LYS 12 HE2 LYS 12 -9.828 5.994 25.528 105 HE3 LYS 12 HE3 LYS 12 -9.083 4.723 26.521 106 HZ1 LYS 12 HZ1 LYS 12 -7.957 6.899 26.810 107 HZ2 LYS 12 HZ2 LYS 12 -7.597 6.936 25.218 108 HZ3 LYS 12 HZ3 LYS 12 -6.929 5.781 26.167 109 H THR 13 H THR 13 -11.663 5.439 19.917 110 HA THR 13 HA THR 13 -12.077 2.820 18.773 111 HB THR 13 HB THR 13 -12.145 4.283 16.585 112 HG1 THR 13 HG1 THR 13 -13.007 6.415 17.405 113 HG21 THR 13 HG21 THR 13 -14.088 3.246 17.705 114 HG22 THR 13 HG22 THR 13 -14.457 4.831 17.027 115 HG23 THR 13 HG23 THR 13 -14.208 4.657 18.784 116 HA PRO 14 HA PRO 14 -7.995 2.479 16.815 117 HB2 PRO 14 HB2 PRO 14 -8.339 0.224 15.364 118 HB3 PRO 14 HB3 PRO 14 -8.309 0.191 17.153 119 HG2 PRO 14 HG2 PRO 14 -10.721 0.122 15.321 120 HG3 PRO 14 HG3 PRO 14 -10.407 -0.842 16.793 121 HD2 PRO 14 HD2 PRO 14 -11.932 1.506 16.701 122 HD3 PRO 14 HD3 PRO 14 -11.137 0.861 18.170 123 H LYS 15 H LYS 15 -7.748 4.216 15.467 124 HA LYS 15 HA LYS 15 -9.512 4.539 13.099 125 HB2 LYS 15 HB2 LYS 15 -7.443 6.353 14.391 126 HB3 LYS 15 HB3 LYS 15 -8.430 6.793 13.013 127 HG2 LYS 15 HG2 LYS 15 -9.415 6.159 15.829 128 HG3 LYS 15 HG3 LYS 15 -9.330 7.743 15.072 129 HD2 LYS 15 HD2 LYS 15 -11.170 5.458 14.246 130 HD3 LYS 15 HD3 LYS 15 -11.638 6.913 15.121 131 HE2 LYS 15 HE2 LYS 15 -11.048 8.348 13.225 132 HE3 LYS 15 HE3 LYS 15 -10.385 6.967 12.339 133 HZ1 LYS 15 HZ1 LYS 15 -12.632 5.995 12.333 134 HZ2 LYS 15 HZ2 LYS 15 -12.568 7.425 11.533 135 HZ3 LYS 15 HZ3 LYS 15 -13.245 7.370 13.002 136 H GLY 16 H GLY 16 -6.124 3.909 13.724 137 HA2 GLY 16 HA2 GLY 16 -5.645 2.919 10.958 138 HA3 GLY 16 HA3 GLY 16 -4.785 4.369 11.448 139 HA PRO 17 HA PRO 17 -3.443 0.725 14.587 140 HB2 PRO 17 HB2 PRO 17 -4.088 -1.387 12.515 141 HB3 PRO 17 HB3 PRO 17 -3.837 -1.604 14.260 142 HG2 PRO 17 HG2 PRO 17 -6.344 -1.325 13.313 143 HG3 PRO 17 HG3 PRO 17 -5.857 -0.406 14.774 144 HD2 PRO 17 HD2 PRO 17 -6.167 0.581 11.955 145 HD3 PRO 17 HD3 PRO 17 -6.524 1.397 13.492 146 H SER 18 H SER 18 -1.335 0.023 14.780 147 HA SER 18 HA SER 18 0.481 0.933 12.667 148 HB2 SER 18 HB2 SER 18 0.946 -0.188 15.450 149 HB3 SER 18 HB3 SER 18 2.215 0.444 14.396 150 HG SER 18 HG SER 18 1.174 1.935 15.973 151 H SER 19 H SER 19 -0.432 -0.745 11.171 152 HA SER 19 HA SER 19 1.021 -3.357 11.314 153 HB2 SER 19 HB2 SER 19 -1.982 -3.065 10.906 154 HB3 SER 19 HB3 SER 19 -1.053 -4.574 10.999 155 HG SER 19 HG SER 19 -2.206 -4.008 12.933 156 H VAL 20 H VAL 20 1.482 -4.286 9.286 157 HA VAL 20 HA VAL 20 0.820 -2.978 6.789 158 HB VAL 20 HB VAL 20 1.393 -5.930 7.269 159 HG11 VAL 20 HG11 VAL 20 2.127 -5.923 4.894 160 HG12 VAL 20 HG12 VAL 20 0.409 -5.548 5.038 161 HG13 VAL 20 HG13 VAL 20 1.572 -4.241 4.732 162 HG21 VAL 20 HG21 VAL 20 3.705 -5.398 6.606 163 HG22 VAL 20 HG22 VAL 20 3.287 -3.677 6.459 164 HG23 VAL 20 HG23 VAL 20 3.276 -4.476 8.043 165 H GLU 21 H GLU 21 -0.921 -5.275 8.828 166 HA GLU 21 HA GLU 21 -3.163 -5.821 7.197 167 HB2 GLU 21 HB2 GLU 21 -3.083 -5.439 10.223 168 HB3 GLU 21 HB3 GLU 21 -4.339 -6.259 9.296 169 HG2 GLU 21 HG2 GLU 21 -2.552 -7.877 8.474 170 HG3 GLU 21 HG3 GLU 21 -1.440 -7.130 9.628 171 H ASP 22 H ASP 22 -2.418 -2.784 8.924 172 HA ASP 22 HA ASP 22 -5.128 -1.697 8.620 173 HB2 ASP 22 HB2 ASP 22 -3.642 -0.943 10.481 174 HB3 ASP 22 HB3 ASP 22 -2.544 -0.253 9.278 175 H ILE 23 H ILE 23 -1.932 -1.372 6.992 176 HA ILE 23 HA ILE 23 -2.770 0.416 4.913 177 HB ILE 23 HB ILE 23 -0.553 -1.638 5.153 178 HG12 ILE 23 HG12 ILE 23 -0.638 1.379 4.807 179 HG13 ILE 23 HG13 ILE 23 -0.475 0.555 6.356 180 HG21 ILE 23 HG21 ILE 23 0.350 -0.938 2.957 181 HG22 ILE 23 HG22 ILE 23 -1.186 -1.765 2.771 182 HG23 ILE 23 HG23 ILE 23 -1.126 0.010 2.652 183 HD11 ILE 23 HD11 ILE 23 1.675 1.443 5.630 184 HD12 ILE 23 HD12 ILE 23 1.736 -0.330 5.668 185 HD13 ILE 23 HD13 ILE 23 1.590 0.541 4.118 186 H LYS 24 H LYS 24 -2.924 -3.168 5.053 187 HA LYS 24 HA LYS 24 -4.185 -3.404 2.481 188 HB2 LYS 24 HB2 LYS 24 -2.987 -5.211 3.756 189 HB3 LYS 24 HB3 LYS 24 -4.355 -5.308 4.861 190 HG2 LYS 24 HG2 LYS 24 -4.292 -7.065 3.097 191 HG3 LYS 24 HG3 LYS 24 -5.791 -6.148 3.123 192 HD2 LYS 24 HD2 LYS 24 -5.321 -5.036 1.116 193 HD3 LYS 24 HD3 LYS 24 -3.579 -5.302 1.246 194 HE2 LYS 24 HE2 LYS 24 -4.723 -6.633 -0.563 195 HE3 LYS 24 HE3 LYS 24 -3.769 -7.582 0.565 196 HZ1 LYS 24 HZ1 LYS 24 -5.713 -8.470 1.542 197 HZ2 LYS 24 HZ2 LYS 24 -5.994 -8.503 -0.040 198 HZ3 LYS 24 HZ3 LYS 24 -6.712 -7.358 0.933 199 H ALA 25 H ALA 25 -5.629 -3.050 5.744 200 HA ALA 25 HA ALA 25 -8.346 -3.134 4.899 201 HB1 ALA 25 HB1 ALA 25 -7.067 -1.666 7.249 202 HB2 ALA 25 HB2 ALA 25 -8.785 -2.039 7.069 203 HB3 ALA 25 HB3 ALA 25 -7.618 -3.355 7.242 204 H LYS 26 H LYS 26 -6.085 -0.349 5.079 205 HA LYS 26 HA LYS 26 -8.017 1.623 4.177 206 HB2 LYS 26 HB2 LYS 26 -5.110 1.559 4.877 207 HB3 LYS 26 HB3 LYS 26 -5.578 2.765 3.676 208 HG2 LYS 26 HG2 LYS 26 -5.662 3.738 5.885 209 HG3 LYS 26 HG3 LYS 26 -7.303 3.646 5.217 210 HD2 LYS 26 HD2 LYS 26 -7.696 1.585 6.602 211 HD3 LYS 26 HD3 LYS 26 -6.031 1.725 7.210 212 HE2 LYS 26 HE2 LYS 26 -6.597 4.023 8.052 213 HE3 LYS 26 HE3 LYS 26 -8.280 3.751 7.574 214 HZ1 LYS 26 HZ1 LYS 26 -6.761 2.004 9.423 215 HZ2 LYS 26 HZ2 LYS 26 -8.350 1.873 9.084 216 HZ3 LYS 26 HZ3 LYS 26 -7.815 3.197 9.912 217 H MET 27 H MET 27 -5.733 -0.450 2.403 218 HA MET 27 HA MET 27 -6.448 0.607 -0.190 219 HB2 MET 27 HB2 MET 27 -5.471 -2.137 0.674 220 HB3 MET 27 HB3 MET 27 -5.843 -1.720 -1.001 221 HG2 MET 27 HG2 MET 27 -4.227 0.142 -0.917 222 HG3 MET 27 HG3 MET 27 -3.809 -0.285 0.744 223 HE1 MET 27 HE1 MET 27 -1.215 -0.328 -0.016 224 HE2 MET 27 HE2 MET 27 -0.641 -1.251 -1.424 225 HE3 MET 27 HE3 MET 27 -1.758 0.113 -1.654 226 H GLN 28 H GLN 28 -8.049 -1.998 1.813 227 HA GLN 28 HA GLN 28 -10.114 -2.463 -0.134 228 HB2 GLN 28 HB2 GLN 28 -10.362 -2.740 2.888 229 HB3 GLN 28 HB3 GLN 28 -11.449 -3.394 1.679 230 HG2 GLN 28 HG2 GLN 28 -8.681 -4.317 2.395 231 HG3 GLN 28 HG3 GLN 28 -10.173 -5.222 2.359 232 HE21 GLN 28 HE21 GLN 28 -7.423 -4.218 0.537 233 HE22 GLN 28 HE22 GLN 28 -7.905 -4.961 -0.999 234 H ALA 29 H ALA 29 -10.011 -0.161 2.604 235 HA ALA 29 HA ALA 29 -12.541 1.041 2.231 236 HB1 ALA 29 HB1 ALA 29 -11.072 1.359 4.201 237 HB2 ALA 29 HB2 ALA 29 -9.962 2.333 3.201 238 HB3 ALA 29 HB3 ALA 29 -11.614 2.896 3.501 239 H SER 30 H SER 30 -9.393 1.821 0.641 240 HA SER 30 HA SER 30 -10.384 3.993 -0.938 241 HB2 SER 30 HB2 SER 30 -8.087 2.080 -1.495 242 HB3 SER 30 HB3 SER 30 -8.398 3.602 -2.349 243 HG SER 30 HG SER 30 -7.809 3.259 0.424 244 H ILE 31 H ILE 31 -10.349 0.461 -1.620 245 HA ILE 31 HA ILE 31 -11.338 0.632 -4.307 246 HB ILE 31 HB ILE 31 -11.567 -1.599 -2.261 247 HG12 ILE 31 HG12 ILE 31 -9.723 -1.334 -4.680 248 HG13 ILE 31 HG13 ILE 31 -9.264 -0.839 -3.063 249 HG21 ILE 31 HG21 ILE 31 -12.039 -3.096 -4.194 250 HG22 ILE 31 HG22 ILE 31 -13.325 -1.924 -3.968 251 HG23 ILE 31 HG23 ILE 31 -12.122 -1.687 -5.262 252 HD11 ILE 31 HD11 ILE 31 -9.684 -3.177 -2.241 253 HD12 ILE 31 HD12 ILE 31 -9.899 -3.665 -3.938 254 HD13 ILE 31 HD13 ILE 31 -8.349 -3.004 -3.394 255 H GLU 32 H GLU 32 -13.133 0.342 -1.184 256 HA GLU 32 HA GLU 32 -15.697 0.430 -2.612 257 HB2 GLU 32 HB2 GLU 32 -16.725 0.209 -0.439 258 HB3 GLU 32 HB3 GLU 32 -15.454 -0.982 -0.689 259 HG2 GLU 32 HG2 GLU 32 -13.923 0.572 0.636 260 HG3 GLU 32 HG3 GLU 32 -15.362 1.499 1.061 261 H LYS 33 H LYS 33 -13.814 2.853 -0.781 262 HA LYS 33 HA LYS 33 -15.940 4.875 -1.197 263 HB2 LYS 33 HB2 LYS 33 -13.322 5.193 0.308 264 HB3 LYS 33 HB3 LYS 33 -14.697 6.278 0.327 265 HG2 LYS 33 HG2 LYS 33 -14.477 3.548 1.612 266 HG3 LYS 33 HG3 LYS 33 -14.718 5.102 2.383 267 HD2 LYS 33 HD2 LYS 33 -16.746 3.603 0.673 268 HD3 LYS 33 HD3 LYS 33 -16.771 3.769 2.429 269 HE2 LYS 33 HE2 LYS 33 -17.160 6.150 2.293 270 HE3 LYS 33 HE3 LYS 33 -16.868 6.156 0.548 271 HZ1 LYS 33 HZ1 LYS 33 -19.152 4.826 1.888 272 HZ2 LYS 33 HZ2 LYS 33 -18.815 4.740 0.275 273 HZ3 LYS 33 HZ3 LYS 33 -19.210 6.179 0.943 274 H GLY 34 H GLY 34 -13.869 3.836 -3.337 275 HA2 GLY 34 HA2 GLY 34 -13.558 4.749 -5.429 276 HA3 GLY 34 HA3 GLY 34 -14.261 6.252 -4.841 277 H GLY 35 H GLY 35 -11.384 5.087 -3.238 278 HA2 GLY 35 HA2 GLY 35 -9.779 7.357 -4.303 279 HA3 GLY 35 HA3 GLY 35 -9.353 6.275 -2.980 280 H SER 36 H SER 36 -7.839 7.039 -5.501 281 HA SER 36 HA SER 36 -7.774 4.579 -7.092 282 HB2 SER 36 HB2 SER 36 -7.573 6.815 -8.108 283 HB3 SER 36 HB3 SER 36 -6.060 7.058 -7.224 284 HG SER 36 HG SER 36 -6.663 5.406 -9.404 285 H LEU 37 H LEU 37 -6.383 2.918 -6.977 286 HA LEU 37 HA LEU 37 -4.465 2.883 -4.725 287 HB2 LEU 37 HB2 LEU 37 -5.720 0.727 -6.451 288 HB3 LEU 37 HB3 LEU 37 -4.297 0.408 -5.471 289 HG LEU 37 HG LEU 37 -5.551 1.167 -3.427 290 HD11 LEU 37 HD11 LEU 37 -7.386 2.460 -4.382 291 HD12 LEU 37 HD12 LEU 37 -8.052 1.054 -3.553 292 HD13 LEU 37 HD13 LEU 37 -7.939 1.056 -5.323 293 HD21 LEU 37 HD21 LEU 37 -6.719 -1.179 -4.977 294 HD22 LEU 37 HD22 LEU 37 -6.796 -0.940 -3.217 295 HD23 LEU 37 HD23 LEU 37 -5.233 -1.210 -4.005 296 HA PRO 38 HA PRO 38 -1.121 3.607 -7.404 297 HB2 PRO 38 HB2 PRO 38 1.066 2.925 -5.901 298 HB3 PRO 38 HB3 PRO 38 0.005 4.317 -5.532 299 HG2 PRO 38 HG2 PRO 38 -0.115 1.527 -4.334 300 HG3 PRO 38 HG3 PRO 38 -0.131 3.101 -3.475 301 HD2 PRO 38 HD2 PRO 38 -2.424 1.748 -4.027 302 HD3 PRO 38 HD3 PRO 38 -2.355 3.535 -4.130 303 H LYS 39 H LYS 39 0.359 2.998 -8.706 304 HA LYS 39 HA LYS 39 0.481 0.134 -9.604 305 HB2 LYS 39 HB2 LYS 39 0.295 2.721 -11.205 306 HB3 LYS 39 HB3 LYS 39 0.332 1.091 -11.853 307 HG2 LYS 39 HG2 LYS 39 -1.873 0.612 -10.847 308 HG3 LYS 39 HG3 LYS 39 -1.955 2.267 -10.214 309 HD2 LYS 39 HD2 LYS 39 -1.647 1.562 -13.164 310 HD3 LYS 39 HD3 LYS 39 -3.195 1.914 -12.393 311 HE2 LYS 39 HE2 LYS 39 -2.652 4.187 -11.998 312 HE3 LYS 39 HE3 LYS 39 -0.920 3.928 -12.246 313 HZ1 LYS 39 HZ1 LYS 39 -1.982 4.993 -14.184 314 HZ2 LYS 39 HZ2 LYS 39 -2.870 3.603 -14.460 315 HZ3 LYS 39 HZ3 LYS 39 -1.255 3.601 -14.545 316 H VAL 40 H VAL 40 2.132 3.282 -9.466 317 HA VAL 40 HA VAL 40 4.620 2.190 -10.697 318 HB VAL 40 HB VAL 40 3.708 5.051 -10.171 319 HG11 VAL 40 HG11 VAL 40 6.127 4.006 -11.703 320 HG12 VAL 40 HG12 VAL 40 5.590 5.695 -11.634 321 HG13 VAL 40 HG13 VAL 40 6.166 4.906 -10.165 322 HG21 VAL 40 HG21 VAL 40 3.870 3.449 -12.767 323 HG22 VAL 40 HG22 VAL 40 2.382 4.015 -11.973 324 HG23 VAL 40 HG23 VAL 40 3.513 5.183 -12.649 325 H GLU 41 H GLU 41 6.482 1.963 -9.474 326 HA GLU 41 HA GLU 41 5.881 1.541 -6.769 327 HB2 GLU 41 HB2 GLU 41 7.495 0.206 -8.069 328 HB3 GLU 41 HB3 GLU 41 8.673 1.533 -7.939 329 HG2 GLU 41 HG2 GLU 41 8.632 1.378 -5.500 330 HG3 GLU 41 HG3 GLU 41 7.310 0.201 -5.545 331 H ALA 42 H ALA 42 7.748 4.311 -8.105 332 HA ALA 42 HA ALA 42 8.558 5.429 -5.658 333 HB1 ALA 42 HB1 ALA 42 9.243 6.258 -7.857 334 HB2 ALA 42 HB2 ALA 42 7.596 6.852 -8.180 335 HB3 ALA 42 HB3 ALA 42 8.569 7.576 -6.881 336 H LYS 43 H LYS 43 5.358 5.795 -7.234 337 HA LYS 43 HA LYS 43 4.201 7.429 -5.096 338 HB2 LYS 43 HB2 LYS 43 2.936 5.927 -7.426 339 HB3 LYS 43 HB3 LYS 43 2.033 6.886 -6.243 340 HG2 LYS 43 HG2 LYS 43 3.400 8.873 -6.829 341 HG3 LYS 43 HG3 LYS 43 4.171 7.926 -8.125 342 HD2 LYS 43 HD2 LYS 43 1.907 7.534 -9.124 343 HD3 LYS 43 HD3 LYS 43 1.182 8.538 -7.871 344 HE2 LYS 43 HE2 LYS 43 3.154 9.474 -10.012 345 HE3 LYS 43 HE3 LYS 43 1.408 9.698 -10.028 346 HZ1 LYS 43 HZ1 LYS 43 3.351 11.004 -8.230 347 HZ2 LYS 43 HZ2 LYS 43 1.746 10.931 -7.849 348 HZ3 LYS 43 HZ3 LYS 43 2.228 11.703 -9.202 349 H PHE 44 H PHE 44 4.271 3.952 -5.866 350 HA PHE 44 HA PHE 44 2.371 3.154 -3.923 351 HB2 PHE 44 HB2 PHE 44 3.276 1.743 -5.790 352 HB3 PHE 44 HB3 PHE 44 4.822 1.685 -4.969 353 HD1 PHE 44 HD1 PHE 44 5.146 0.392 -2.870 354 HD2 PHE 44 HD2 PHE 44 1.548 0.163 -5.237 355 HE1 PHE 44 HE1 PHE 44 4.608 -1.805 -1.848 356 HE2 PHE 44 HE2 PHE 44 1.003 -2.014 -4.180 357 HZ PHE 44 HZ PHE 44 2.542 -3.007 -2.504 358 H ILE 45 H ILE 45 5.933 3.416 -3.684 359 HA ILE 45 HA ILE 45 6.102 2.812 -0.881 360 HB ILE 45 HB ILE 45 8.020 4.210 -2.784 361 HG12 ILE 45 HG12 ILE 45 7.896 1.366 -1.653 362 HG13 ILE 45 HG13 ILE 45 7.516 1.831 -3.307 363 HG21 ILE 45 HG21 ILE 45 8.501 4.900 -0.452 364 HG22 ILE 45 HG22 ILE 45 8.527 3.185 0.044 365 HG23 ILE 45 HG23 ILE 45 9.755 3.848 -1.062 366 HD11 ILE 45 HD11 ILE 45 10.261 1.884 -2.008 367 HD12 ILE 45 HD12 ILE 45 9.689 0.844 -3.311 368 HD13 ILE 45 HD13 ILE 45 9.898 2.584 -3.607 369 H ASN 46 H ASN 46 5.820 5.986 -2.614 370 HA ASN 46 HA ASN 46 5.907 7.666 -0.348 371 HB2 ASN 46 HB2 ASN 46 5.861 8.607 -2.558 372 HB3 ASN 46 HB3 ASN 46 4.329 7.837 -2.942 373 HD21 ASN 46 HD21 ASN 46 2.373 8.806 -2.362 374 HD22 ASN 46 HD22 ASN 46 2.245 10.159 -1.282 375 H TYR 47 H TYR 47 3.026 5.934 -1.654 376 HA TYR 47 HA TYR 47 1.223 6.929 0.350 377 HB2 TYR 47 HB2 TYR 47 0.384 6.254 -1.739 378 HB3 TYR 47 HB3 TYR 47 1.112 4.652 -1.632 379 HD1 TYR 47 HD2 TYR 47 -1.619 6.827 -0.322 380 HD2 TYR 47 HD1 TYR 47 0.034 2.841 -0.437 381 HE1 TYR 47 HE2 TYR 47 -3.709 5.927 0.678 382 HE2 TYR 47 HE1 TYR 47 -2.075 1.951 0.574 383 HH TYR 47 HH TYR 47 -4.833 4.050 1.433 384 H VAL 48 H VAL 48 3.075 3.845 0.146 385 HA VAL 48 HA VAL 48 2.118 2.709 2.605 386 HB VAL 48 HB VAL 48 4.684 2.372 1.020 387 HG11 VAL 48 HG11 VAL 48 3.892 0.866 3.549 388 HG12 VAL 48 HG12 VAL 48 5.141 0.340 2.399 389 HG13 VAL 48 HG13 VAL 48 5.355 1.843 3.292 390 HG21 VAL 48 HG21 VAL 48 2.560 1.463 0.063 391 HG22 VAL 48 HG22 VAL 48 3.708 0.188 0.474 392 HG23 VAL 48 HG23 VAL 48 2.321 0.507 1.538 393 H LYS 49 H LYS 49 4.873 4.944 1.993 394 HA LYS 49 HA LYS 49 5.604 5.097 4.777 395 HB2 LYS 49 HB2 LYS 49 6.298 6.795 2.363 396 HB3 LYS 49 HB3 LYS 49 6.900 7.156 3.991 397 HG2 LYS 49 HG2 LYS 49 7.908 4.944 4.184 398 HG3 LYS 49 HG3 LYS 49 7.258 4.459 2.612 399 HD2 LYS 49 HD2 LYS 49 8.653 6.236 1.527 400 HD3 LYS 49 HD3 LYS 49 9.372 6.597 3.115 401 HE2 LYS 49 HE2 LYS 49 10.151 4.261 3.315 402 HE3 LYS 49 HE3 LYS 49 9.360 3.839 1.802 403 HZ1 LYS 49 HZ1 LYS 49 11.686 5.635 2.135 404 HZ2 LYS 49 HZ2 LYS 49 10.869 5.522 0.722 405 HZ3 LYS 49 HZ3 LYS 49 11.631 4.199 1.290 406 H ASN 50 H ASN 50 3.406 7.116 2.820 407 HA ASN 50 HA ASN 50 2.707 8.962 4.883 408 HB2 ASN 50 HB2 ASN 50 1.982 9.550 2.751 409 HB3 ASN 50 HB3 ASN 50 1.438 7.932 2.350 410 HD21 ASN 50 HD21 ASN 50 -0.679 7.281 2.828 411 HD22 ASN 50 HD22 ASN 50 -1.866 8.439 3.413 412 H CYS 51 H CYS 51 1.417 5.668 4.226 413 HA CYS 51 HA CYS 51 -0.559 5.853 6.334 414 HB2 CYS 51 HB2 CYS 51 0.515 3.459 4.798 415 HB3 CYS 51 HB3 CYS 51 -0.871 3.443 5.913 416 HG CYS 51 HG CYS 51 -0.434 4.902 2.995 417 H PHE 52 H PHE 52 2.529 3.945 6.192 418 HA PHE 52 HA PHE 52 2.636 4.064 9.156 419 HB2 PHE 52 HB2 PHE 52 1.315 2.059 8.462 420 HB3 PHE 52 HB3 PHE 52 2.743 1.466 7.618 421 HD1 PHE 52 HD2 PHE 52 2.555 3.050 11.061 422 HD2 PHE 52 HD1 PHE 52 3.192 -0.541 8.753 423 HE1 PHE 52 HE2 PHE 52 3.402 1.900 13.075 424 HE2 PHE 52 HE1 PHE 52 4.008 -1.699 10.792 425 HZ PHE 52 HZ PHE 52 4.126 -0.480 12.951 426 H ARG 53 H ARG 53 4.309 5.227 6.952 427 HA ARG 53 HA ARG 53 6.503 5.776 6.642 428 HB2 ARG 53 HB2 ARG 53 5.649 6.378 8.969 429 HB3 ARG 53 HB3 ARG 53 6.751 5.145 9.576 430 HG2 ARG 53 HG2 ARG 53 8.678 6.395 8.655 431 HG3 ARG 53 HG3 ARG 53 7.583 7.515 7.822 432 HD2 ARG 53 HD2 ARG 53 6.721 8.315 9.992 433 HD3 ARG 53 HD3 ARG 53 7.785 7.180 10.844 434 HE ARG 53 HE ARG 53 9.397 8.789 9.127 435 HH11 ARG 53 HH11 ARG 53 7.402 9.375 12.008 436 HH12 ARG 53 HH12 ARG 53 8.536 10.609 12.554 437 HH21 ARG 53 HH21 ARG 53 10.699 10.453 10.015 438 HH22 ARG 53 HH22 ARG 53 10.167 11.184 11.522 439 H MET 54 H MET 54 6.095 2.891 6.110 440 HA MET 54 HA MET 54 8.348 1.505 7.234 441 HB2 MET 54 HB2 MET 54 6.531 0.594 4.980 442 HB3 MET 54 HB3 MET 54 7.631 -0.408 5.925 443 HG2 MET 54 HG2 MET 54 6.308 0.238 7.996 444 HG3 MET 54 HG3 MET 54 5.151 1.024 6.916 445 HE1 MET 54 HE1 MET 54 5.805 -3.504 7.487 446 HE2 MET 54 HE2 MET 54 7.151 -2.449 7.007 447 HE3 MET 54 HE3 MET 54 6.343 -2.205 8.570 448 H THR 55 H THR 55 10.175 0.691 6.356 449 HA THR 55 HA THR 55 10.960 1.406 3.548 450 HB THR 55 HB THR 55 13.305 1.539 4.379 451 HG1 THR 55 HG1 THR 55 13.732 1.645 6.439 452 HG21 THR 55 HG21 THR 55 13.140 3.765 5.442 453 HG22 THR 55 HG22 THR 55 11.386 3.550 5.628 454 HG23 THR 55 HG23 THR 55 12.119 3.621 4.008 455 H ASP 56 H ASP 56 10.556 -1.131 5.831 456 HA ASP 56 HA ASP 56 12.582 -2.978 5.129 457 HB2 ASP 56 HB2 ASP 56 9.758 -3.281 6.182 458 HB3 ASP 56 HB3 ASP 56 10.767 -4.680 5.856 459 H GLN 57 H GLN 57 13.085 -3.689 3.127 460 HA GLN 57 HA GLN 57 11.294 -3.852 0.949 461 HB2 GLN 57 HB2 GLN 57 14.030 -4.949 1.539 462 HB3 GLN 57 HB3 GLN 57 13.159 -5.596 0.150 463 HG2 GLN 57 HG2 GLN 57 13.615 -2.616 0.575 464 HG3 GLN 57 HG3 GLN 57 14.676 -3.654 -0.378 465 HE21 GLN 57 HE21 GLN 57 11.758 -1.761 -0.530 466 HE22 GLN 57 HE22 GLN 57 11.118 -2.490 -2.015 467 H GLU 58 H GLU 58 12.031 -6.384 3.364 468 HA GLU 58 HA GLU 58 10.586 -8.497 2.202 469 HB2 GLU 58 HB2 GLU 58 10.336 -9.355 4.516 470 HB3 GLU 58 HB3 GLU 58 11.974 -8.860 4.113 471 HG2 GLU 58 HG2 GLU 58 11.688 -6.769 5.406 472 HG3 GLU 58 HG3 GLU 58 10.020 -7.190 5.749 473 H ALA 59 H ALA 59 9.252 -5.759 4.092 474 HA ALA 59 HA ALA 59 6.524 -6.859 3.976 475 HB1 ALA 59 HB1 ALA 59 5.876 -4.772 5.049 476 HB2 ALA 59 HB2 ALA 59 7.214 -5.545 5.928 477 HB3 ALA 59 HB3 ALA 59 7.530 -4.134 4.881 478 H ILE 60 H ILE 60 8.417 -4.305 2.319 479 HA ILE 60 HA ILE 60 6.312 -3.271 0.692 480 HB ILE 60 HB ILE 60 9.297 -3.395 0.319 481 HG12 ILE 60 HG12 ILE 60 7.515 -1.017 1.000 482 HG13 ILE 60 HG13 ILE 60 8.206 -2.060 2.238 483 HG21 ILE 60 HG21 ILE 60 7.219 -1.879 -1.347 484 HG22 ILE 60 HG22 ILE 60 8.969 -1.602 -1.438 485 HG23 ILE 60 HG23 ILE 60 8.311 -3.153 -1.928 486 HD11 ILE 60 HD11 ILE 60 9.798 -0.401 0.255 487 HD12 ILE 60 HD12 ILE 60 9.638 -0.154 2.003 488 HD13 ILE 60 HD13 ILE 60 10.486 -1.591 1.387 489 H GLN 61 H GLN 61 8.597 -5.984 -0.003 490 HA GLN 61 HA GLN 61 7.340 -6.535 -2.529 491 HB2 GLN 61 HB2 GLN 61 8.797 -8.352 -2.755 492 HB3 GLN 61 HB3 GLN 61 9.671 -7.027 -2.023 493 HG2 GLN 61 HG2 GLN 61 10.468 -8.722 -0.726 494 HG3 GLN 61 HG3 GLN 61 9.105 -8.228 0.252 495 HE21 GLN 61 HE21 GLN 61 8.662 -10.320 1.253 496 HE22 GLN 61 HE22 GLN 61 8.138 -11.671 0.258 497 H ASP 62 H ASP 62 6.887 -8.116 0.748 498 HA ASP 62 HA ASP 62 5.014 -10.005 -0.354 499 HB2 ASP 62 HB2 ASP 62 6.303 -10.106 1.877 500 HB3 ASP 62 HB3 ASP 62 5.015 -9.100 2.534 501 H LEU 63 H LEU 63 4.555 -6.701 0.884 502 HA LEU 63 HA LEU 63 1.682 -6.751 0.701 503 HB2 LEU 63 HB2 LEU 63 3.036 -5.278 2.140 504 HB3 LEU 63 HB3 LEU 63 3.599 -4.395 0.732 505 HG LEU 63 HG LEU 63 1.805 -3.357 2.181 506 HD11 LEU 63 HD11 LEU 63 2.276 -2.537 -0.096 507 HD12 LEU 63 HD12 LEU 63 0.600 -2.299 0.416 508 HD13 LEU 63 HD13 LEU 63 0.985 -3.594 -0.726 509 HD21 LEU 63 HD21 LEU 63 -0.516 -3.954 1.888 510 HD22 LEU 63 HD22 LEU 63 0.380 -5.354 2.492 511 HD23 LEU 63 HD23 LEU 63 -0.096 -5.266 0.775 512 H TRP 64 H TRP 64 4.312 -5.849 -1.603 513 HA TRP 64 HA TRP 64 2.764 -4.967 -3.786 514 HB2 TRP 64 HB2 TRP 64 5.456 -6.119 -3.405 515 HB3 TRP 64 HB3 TRP 64 4.783 -6.615 -4.901 516 HD1 TRP 64 HD1 TRP 64 7.034 -4.226 -3.862 517 HE1 TRP 64 HE1 TRP 64 7.119 -2.130 -5.333 518 HE3 TRP 64 HE3 TRP 64 2.501 -4.699 -6.195 519 HZ2 TRP 64 HZ2 TRP 64 5.311 -0.687 -7.079 520 HZ3 TRP 64 HZ3 TRP 64 1.700 -2.933 -7.754 521 HH2 TRP 64 HH2 TRP 64 3.081 -0.919 -8.177 522 H GLN 65 H GLN 65 3.748 -8.362 -3.120 523 HA GLN 65 HA GLN 65 2.047 -9.355 -5.240 524 HB2 GLN 65 HB2 GLN 65 2.586 -11.605 -4.370 525 HB3 GLN 65 HB3 GLN 65 3.940 -10.579 -4.796 526 HG2 GLN 65 HG2 GLN 65 3.752 -10.112 -2.102 527 HG3 GLN 65 HG3 GLN 65 3.172 -11.764 -2.186 528 HE21 GLN 65 HE21 GLN 65 5.810 -9.599 -3.208 529 HE22 GLN 65 HE22 GLN 65 7.092 -10.743 -3.091 530 H TRP 66 H TRP 66 1.341 -8.638 -1.863 531 HA TRP 66 HA TRP 66 -1.237 -9.941 -1.891 532 HB2 TRP 66 HB2 TRP 66 0.219 -8.940 0.071 533 HB3 TRP 66 HB3 TRP 66 -0.653 -7.464 -0.271 534 HD1 TRP 66 HD1 TRP 66 -3.060 -10.220 -0.723 535 HE1 TRP 66 HE1 TRP 66 -4.352 -10.764 1.415 536 HE3 TRP 66 HE3 TRP 66 -0.220 -7.598 2.649 537 HZ2 TRP 66 HZ2 TRP 66 -4.272 -10.046 4.185 538 HZ3 TRP 66 HZ3 TRP 66 -0.869 -7.551 5.054 539 HH2 TRP 66 HH2 TRP 66 -2.887 -8.772 5.833 540 H ARG 67 H ARG 67 -0.175 -6.639 -2.822 541 HA ARG 67 HA ARG 67 -2.837 -5.775 -3.633 542 HB2 ARG 67 HB2 ARG 67 -0.810 -4.355 -2.909 543 HB3 ARG 67 HB3 ARG 67 -0.182 -4.565 -4.535 544 HG2 ARG 67 HG2 ARG 67 -3.026 -3.575 -4.354 545 HG3 ARG 67 HG3 ARG 67 -1.817 -2.546 -3.616 546 HD2 ARG 67 HD2 ARG 67 -1.943 -1.627 -5.695 547 HD3 ARG 67 HD3 ARG 67 -0.524 -2.665 -5.852 548 HE ARG 67 HE ARG 67 -2.873 -4.104 -6.696 549 HH11 ARG 67 HH11 ARG 67 -0.970 -1.340 -7.883 550 HH12 ARG 67 HH12 ARG 67 -0.999 -2.005 -9.509 551 HH21 ARG 67 HH21 ARG 67 -3.465 -4.270 -8.780 552 HH22 ARG 67 HH22 ARG 67 -2.774 -3.231 -9.986 553 H LYS 68 H LYS 68 -0.272 -7.497 -5.277 554 HA LYS 68 HA LYS 68 -1.711 -7.428 -7.858 555 HB2 LYS 68 HB2 LYS 68 0.892 -8.755 -7.045 556 HB3 LYS 68 HB3 LYS 68 0.199 -8.873 -8.649 557 HG2 LYS 68 HG2 LYS 68 1.196 -6.342 -7.306 558 HG3 LYS 68 HG3 LYS 68 1.957 -7.216 -8.623 559 HD2 LYS 68 HD2 LYS 68 -0.612 -5.606 -8.694 560 HD3 LYS 68 HD3 LYS 68 0.902 -5.226 -9.494 561 HE2 LYS 68 HE2 LYS 68 -0.926 -7.579 -10.188 562 HE3 LYS 68 HE3 LYS 68 -0.870 -6.034 -11.030 563 HZ1 LYS 68 HZ1 LYS 68 1.324 -8.032 -10.920 564 HZ2 LYS 68 HZ2 LYS 68 1.512 -6.545 -11.556 565 HZ3 LYS 68 HZ3 LYS 68 0.436 -7.599 -12.223 566 H SER 69 H SER 69 -2.358 -9.229 -5.143 567 HA SER 69 HA SER 69 -4.177 -10.544 -7.002 568 HB2 SER 69 HB2 SER 69 -2.533 -12.344 -6.652 569 HB3 SER 69 HB3 SER 69 -2.894 -12.322 -4.913 570 HG SER 69 HG SER 69 -4.123 -13.774 -6.522 571 H LEU 70 H LEU 70 -5.557 -9.011 -6.346 572 HA LEU 70 HA LEU 70 -6.771 -9.105 -3.654 573 HB2 LEU 70 HB2 LEU 70 -7.553 -7.665 -6.213 574 HB3 LEU 70 HB3 LEU 70 -8.413 -7.532 -4.687 575 HG LEU 70 HG LEU 70 -5.558 -6.602 -5.224 576 HD11 LEU 70 HD11 LEU 70 -8.161 -5.118 -4.680 577 HD12 LEU 70 HD12 LEU 70 -7.319 -5.211 -6.232 578 HD13 LEU 70 HD13 LEU 70 -6.558 -4.363 -4.882 579 HD21 LEU 70 HD21 LEU 70 -7.231 -6.494 -2.686 580 HD22 LEU 70 HD22 LEU 70 -5.744 -5.542 -2.961 581 HD23 LEU 70 HD23 LEU 70 -5.664 -7.307 -2.913 Start of MODEL 14 1 H GLN 1 H1 GLN 1 -33.348 4.740 29.002 2 HA GLN 1 HA GLN 1 -33.048 6.258 27.188 3 HB2 GLN 1 HB2 GLN 1 -31.128 7.478 28.090 4 HB3 GLN 1 HB3 GLN 1 -30.111 6.049 27.949 5 HG2 GLN 1 HG2 GLN 1 -29.718 7.721 26.146 6 HG3 GLN 1 HG3 GLN 1 -30.185 6.145 25.521 7 HE21 GLN 1 HE21 GLN 1 -31.133 9.552 25.732 8 HE22 GLN 1 HE22 GLN 1 -32.614 9.337 24.803 9 H GLU 2 H GLU 2 -33.994 4.661 26.074 10 HA GLU 2 HA GLU 2 -32.293 2.361 25.145 11 HB2 GLU 2 HB2 GLU 2 -35.320 2.467 25.495 12 HB3 GLU 2 HB3 GLU 2 -34.389 1.118 24.863 13 HG2 GLU 2 HG2 GLU 2 -34.827 0.431 27.003 14 HG3 GLU 2 HG3 GLU 2 -33.179 1.038 27.119 15 H SER 3 H SER 3 -33.369 5.276 24.071 16 HA SER 3 HA SER 3 -34.426 4.338 21.438 17 HB2 SER 3 HB2 SER 3 -34.740 7.017 22.822 18 HB3 SER 3 HB3 SER 3 -35.560 6.469 21.351 19 HG SER 3 HG SER 3 -36.869 6.251 23.200 20 H PHE 4 H PHE 4 -31.994 6.385 22.902 21 HA PHE 4 HA PHE 4 -30.114 7.375 22.222 22 HB2 PHE 4 HB2 PHE 4 -30.141 5.268 20.049 23 HB3 PHE 4 HB3 PHE 4 -28.737 6.163 20.602 24 HD1 PHE 4 HD1 PHE 4 -28.022 5.960 23.079 25 HD2 PHE 4 HD2 PHE 4 -30.769 3.254 21.164 26 HE1 PHE 4 HE1 PHE 4 -27.636 4.291 24.873 27 HE2 PHE 4 HE2 PHE 4 -30.386 1.583 22.959 28 HZ PHE 4 HZ PHE 4 -28.834 2.103 24.833 29 H LYS 5 H LYS 5 -28.745 8.241 20.232 30 HA LYS 5 HA LYS 5 -30.487 9.635 18.294 31 HB2 LYS 5 HB2 LYS 5 -29.904 10.883 20.688 32 HB3 LYS 5 HB3 LYS 5 -28.558 11.434 19.694 33 HG2 LYS 5 HG2 LYS 5 -30.215 12.261 17.992 34 HG3 LYS 5 HG3 LYS 5 -31.525 11.712 19.051 35 HD2 LYS 5 HD2 LYS 5 -30.659 13.234 20.858 36 HD3 LYS 5 HD3 LYS 5 -29.437 13.835 19.715 37 HE2 LYS 5 HE2 LYS 5 -31.290 14.514 18.166 38 HE3 LYS 5 HE3 LYS 5 -32.468 13.995 19.380 39 HZ1 LYS 5 HZ1 LYS 5 -32.037 16.380 19.485 40 HZ2 LYS 5 HZ2 LYS 5 -30.440 16.138 19.787 41 HZ3 LYS 5 HZ3 LYS 5 -31.569 15.677 20.889 42 H LYS 6 H LYS 6 -29.579 10.190 16.462 43 HA LYS 6 HA LYS 6 -28.237 10.399 14.701 44 HB2 LYS 6 HB2 LYS 6 -25.987 11.038 16.612 45 HB3 LYS 6 HB3 LYS 6 -26.184 11.572 14.935 46 HG2 LYS 6 HG2 LYS 6 -28.222 12.846 15.565 47 HG3 LYS 6 HG3 LYS 6 -27.979 12.391 17.256 48 HD2 LYS 6 HD2 LYS 6 -26.095 14.091 15.597 49 HD3 LYS 6 HD3 LYS 6 -27.206 14.630 16.865 50 HE2 LYS 6 HE2 LYS 6 -25.878 12.877 18.364 51 HE3 LYS 6 HE3 LYS 6 -24.642 13.041 17.101 52 HZ1 LYS 6 HZ1 LYS 6 -25.742 15.152 18.853 53 HZ2 LYS 6 HZ2 LYS 6 -24.930 15.536 17.499 54 HZ3 LYS 6 HZ3 LYS 6 -24.170 14.717 18.718 55 H GLN 7 H GLN 7 -27.976 7.641 16.314 56 HA GLN 7 HA GLN 7 -25.456 6.578 15.373 57 HB2 GLN 7 HB2 GLN 7 -27.993 5.190 16.333 58 HB3 GLN 7 HB3 GLN 7 -26.453 4.385 16.002 59 HG2 GLN 7 HG2 GLN 7 -25.336 5.830 17.692 60 HG3 GLN 7 HG3 GLN 7 -26.898 6.544 18.107 61 HE21 GLN 7 HE21 GLN 7 -25.482 5.368 20.126 62 HE22 GLN 7 HE22 GLN 7 -26.341 3.882 20.595 63 H GLU 8 H GLU 8 -28.588 6.918 13.762 64 HA GLU 8 HA GLU 8 -27.857 5.055 11.618 65 HB2 GLU 8 HB2 GLU 8 -29.781 5.930 10.418 66 HB3 GLU 8 HB3 GLU 8 -30.185 5.352 12.023 67 HG2 GLU 8 HG2 GLU 8 -29.705 8.310 11.614 68 HG3 GLU 8 HG3 GLU 8 -31.208 7.587 11.055 69 H LYS 9 H LYS 9 -26.776 8.154 12.401 70 HA LYS 9 HA LYS 9 -25.874 8.793 9.633 71 HB2 LYS 9 HB2 LYS 9 -25.565 10.420 12.140 72 HB3 LYS 9 HB3 LYS 9 -25.350 10.958 10.476 73 HG2 LYS 9 HG2 LYS 9 -27.969 10.251 11.871 74 HG3 LYS 9 HG3 LYS 9 -27.381 11.861 11.472 75 HD2 LYS 9 HD2 LYS 9 -27.531 11.336 9.048 76 HD3 LYS 9 HD3 LYS 9 -28.143 9.714 9.452 77 HE2 LYS 9 HE2 LYS 9 -30.064 10.718 10.645 78 HE3 LYS 9 HE3 LYS 9 -29.452 12.338 10.288 79 HZ1 LYS 9 HZ1 LYS 9 -30.254 10.377 8.203 80 HZ2 LYS 9 HZ2 LYS 9 -29.785 11.921 7.949 81 HZ3 LYS 9 HZ3 LYS 9 -31.188 11.655 8.727 82 H THR 10 H THR 10 -24.737 7.067 12.281 83 HA THR 10 HA THR 10 -22.007 7.053 11.117 84 HB THR 10 HB THR 10 -21.108 6.755 13.496 85 HG1 THR 10 HG1 THR 10 -22.871 6.596 14.745 86 HG21 THR 10 HG21 THR 10 -22.176 9.470 12.685 87 HG22 THR 10 HG22 THR 10 -20.639 8.743 12.179 88 HG23 THR 10 HG23 THR 10 -20.905 9.149 13.882 89 HA PRO 11 HA PRO 11 -23.965 2.859 11.904 90 HB2 PRO 11 HB2 PRO 11 -23.462 2.326 9.001 91 HB3 PRO 11 HB3 PRO 11 -24.923 1.991 9.978 92 HG2 PRO 11 HG2 PRO 11 -24.882 4.043 8.200 93 HG3 PRO 11 HG3 PRO 11 -25.639 4.263 9.818 94 HD2 PRO 11 HD2 PRO 11 -22.815 5.002 8.963 95 HD3 PRO 11 HD3 PRO 11 -24.051 6.030 9.723 96 H LYS 12 H LYS 12 -20.859 3.827 10.924 97 HA LYS 12 HA LYS 12 -19.817 1.064 10.514 98 HB2 LYS 12 HB2 LYS 12 -19.902 3.079 8.810 99 HB3 LYS 12 HB3 LYS 12 -18.456 3.625 9.666 100 HG2 LYS 12 HG2 LYS 12 -17.341 1.484 9.136 101 HG3 LYS 12 HG3 LYS 12 -18.827 0.902 8.350 102 HD2 LYS 12 HD2 LYS 12 -17.242 3.346 7.469 103 HD3 LYS 12 HD3 LYS 12 -17.103 1.729 6.759 104 HE2 LYS 12 HE2 LYS 12 -19.483 1.783 6.100 105 HE3 LYS 12 HE3 LYS 12 -19.655 3.395 6.810 106 HZ1 LYS 12 HZ1 LYS 12 -17.833 2.730 4.567 107 HZ2 LYS 12 HZ2 LYS 12 -18.011 4.215 5.247 108 HZ3 LYS 12 HZ3 LYS 12 -19.278 3.567 4.455 109 H THR 13 H THR 13 -17.834 0.372 11.358 110 HA THR 13 HA THR 13 -16.594 2.047 13.525 111 HB THR 13 HB THR 13 -17.373 -0.864 13.900 112 HG1 THR 13 HG1 THR 13 -19.210 0.263 14.040 113 HG21 THR 13 HG21 THR 13 -16.854 -0.357 16.283 114 HG22 THR 13 HG22 THR 13 -16.271 1.255 15.812 115 HG23 THR 13 HG23 THR 13 -15.411 -0.207 15.276 116 HA PRO 14 HA PRO 14 -12.931 0.253 11.402 117 HB2 PRO 14 HB2 PRO 14 -11.911 3.025 11.643 118 HB3 PRO 14 HB3 PRO 14 -11.964 1.978 10.200 119 HG2 PRO 14 HG2 PRO 14 -13.576 4.179 10.488 120 HG3 PRO 14 HG3 PRO 14 -14.116 2.697 9.628 121 HD2 PRO 14 HD2 PRO 14 -14.663 3.507 12.498 122 HD3 PRO 14 HD3 PRO 14 -15.809 2.918 11.254 123 H LYS 15 H LYS 15 -10.965 -0.146 12.611 124 HA LYS 15 HA LYS 15 -10.591 1.394 15.128 125 HB2 LYS 15 HB2 LYS 15 -10.264 -0.519 16.515 126 HB3 LYS 15 HB3 LYS 15 -11.870 -0.557 15.826 127 HG2 LYS 15 HG2 LYS 15 -9.628 -2.141 14.505 128 HG3 LYS 15 HG3 LYS 15 -10.375 -2.722 15.988 129 HD2 LYS 15 HD2 LYS 15 -12.616 -2.645 14.911 130 HD3 LYS 15 HD3 LYS 15 -11.856 -2.190 13.376 131 HE2 LYS 15 HE2 LYS 15 -10.635 -4.238 13.236 132 HE3 LYS 15 HE3 LYS 15 -10.960 -4.644 14.929 133 HZ1 LYS 15 HZ1 LYS 15 -13.101 -4.479 12.888 134 HZ2 LYS 15 HZ2 LYS 15 -13.217 -5.018 14.440 135 HZ3 LYS 15 HZ3 LYS 15 -12.349 -5.880 13.338 136 H GLY 16 H GLY 16 -9.035 -0.044 12.452 137 HA2 GLY 16 HA2 GLY 16 -6.883 0.346 11.703 138 HA3 GLY 16 HA3 GLY 16 -6.719 1.500 13.008 139 HA PRO 17 HA PRO 17 -5.295 -2.997 14.515 140 HB2 PRO 17 HB2 PRO 17 -4.034 -3.733 11.881 141 HB3 PRO 17 HB3 PRO 17 -4.708 -4.812 13.137 142 HG2 PRO 17 HG2 PRO 17 -6.179 -4.191 10.946 143 HG3 PRO 17 HG3 PRO 17 -6.943 -4.215 12.565 144 HD2 PRO 17 HD2 PRO 17 -6.119 -1.830 10.949 145 HD3 PRO 17 HD3 PRO 17 -7.511 -2.073 12.022 146 H SER 18 H SER 18 -3.443 -0.416 13.409 147 HA SER 18 HA SER 18 -1.263 0.237 13.542 148 HB2 SER 18 HB2 SER 18 -1.444 -1.235 16.182 149 HB3 SER 18 HB3 SER 18 -0.306 0.058 15.764 150 HG SER 18 HG SER 18 -3.043 0.170 16.310 151 H SER 19 H SER 19 -1.053 -1.702 11.756 152 HA SER 19 HA SER 19 1.427 -3.221 12.184 153 HB2 SER 19 HB2 SER 19 -0.227 -4.532 13.467 154 HB3 SER 19 HB3 SER 19 -1.333 -4.512 12.087 155 HG SER 19 HG SER 19 0.107 -6.428 12.570 156 H VAL 20 H VAL 20 1.641 -4.828 10.152 157 HA VAL 20 HA VAL 20 0.918 -3.605 7.610 158 HB VAL 20 HB VAL 20 1.524 -6.510 8.264 159 HG11 VAL 20 HG11 VAL 20 0.316 -6.419 6.143 160 HG12 VAL 20 HG12 VAL 20 1.323 -5.064 5.588 161 HG13 VAL 20 HG13 VAL 20 2.025 -6.687 5.800 162 HG21 VAL 20 HG21 VAL 20 3.743 -6.093 7.372 163 HG22 VAL 20 HG22 VAL 20 3.318 -4.421 6.950 164 HG23 VAL 20 HG23 VAL 20 3.444 -4.910 8.644 165 H GLU 21 H GLU 21 -0.807 -5.709 9.883 166 HA GLU 21 HA GLU 21 -3.101 -6.312 8.263 167 HB2 GLU 21 HB2 GLU 21 -2.726 -5.930 11.257 168 HB3 GLU 21 HB3 GLU 21 -4.241 -6.428 10.529 169 HG2 GLU 21 HG2 GLU 21 -3.199 -8.441 9.587 170 HG3 GLU 21 HG3 GLU 21 -1.613 -7.930 10.175 171 H ASP 22 H ASP 22 -2.100 -3.259 9.678 172 HA ASP 22 HA ASP 22 -4.736 -1.984 9.521 173 HB2 ASP 22 HB2 ASP 22 -3.034 -1.341 11.216 174 HB3 ASP 22 HB3 ASP 22 -1.983 -0.745 9.930 175 H ILE 23 H ILE 23 -1.647 -1.820 7.623 176 HA ILE 23 HA ILE 23 -2.879 -0.079 5.703 177 HB ILE 23 HB ILE 23 -0.382 -0.451 6.147 178 HG12 ILE 23 HG12 ILE 23 -1.284 -0.228 3.253 179 HG13 ILE 23 HG13 ILE 23 -1.391 1.070 4.446 180 HG21 ILE 23 HG21 ILE 23 -0.743 -2.603 4.005 181 HG22 ILE 23 HG22 ILE 23 0.788 -2.000 4.637 182 HG23 ILE 23 HG23 ILE 23 -0.280 -2.877 5.701 183 HD11 ILE 23 HD11 ILE 23 0.593 1.441 3.140 184 HD12 ILE 23 HD12 ILE 23 1.107 0.955 4.764 185 HD13 ILE 23 HD13 ILE 23 1.179 -0.205 3.417 186 H LYS 24 H LYS 24 -2.685 -3.610 5.894 187 HA LYS 24 HA LYS 24 -3.993 -4.310 3.445 188 HB2 LYS 24 HB2 LYS 24 -4.007 -5.521 6.235 189 HB3 LYS 24 HB3 LYS 24 -4.863 -6.265 4.908 190 HG2 LYS 24 HG2 LYS 24 -1.879 -5.711 4.728 191 HG3 LYS 24 HG3 LYS 24 -2.539 -7.148 5.513 192 HD2 LYS 24 HD2 LYS 24 -3.750 -7.713 3.368 193 HD3 LYS 24 HD3 LYS 24 -2.947 -6.335 2.610 194 HE2 LYS 24 HE2 LYS 24 -1.746 -8.333 2.020 195 HE3 LYS 24 HE3 LYS 24 -0.721 -7.378 3.087 196 HZ1 LYS 24 HZ1 LYS 24 -0.797 -9.809 3.604 197 HZ2 LYS 24 HZ2 LYS 24 -2.384 -9.654 4.034 198 HZ3 LYS 24 HZ3 LYS 24 -1.236 -8.896 4.888 199 H ALA 25 H ALA 25 -5.523 -3.641 6.666 200 HA ALA 25 HA ALA 25 -8.185 -3.765 5.655 201 HB1 ALA 25 HB1 ALA 25 -7.070 -2.369 8.128 202 HB2 ALA 25 HB2 ALA 25 -8.779 -2.763 7.836 203 HB3 ALA 25 HB3 ALA 25 -7.590 -4.066 8.016 204 H LYS 26 H LYS 26 -6.083 -0.895 6.166 205 HA LYS 26 HA LYS 26 -8.064 1.066 5.398 206 HB2 LYS 26 HB2 LYS 26 -5.068 1.068 5.840 207 HB3 LYS 26 HB3 LYS 26 -5.820 2.429 5.030 208 HG2 LYS 26 HG2 LYS 26 -5.503 2.827 7.414 209 HG3 LYS 26 HG3 LYS 26 -7.178 2.987 6.887 210 HD2 LYS 26 HD2 LYS 26 -7.675 0.771 7.902 211 HD3 LYS 26 HD3 LYS 26 -6.006 0.663 8.470 212 HE2 LYS 26 HE2 LYS 26 -7.924 2.920 9.201 213 HE3 LYS 26 HE3 LYS 26 -7.688 1.472 10.178 214 HZ1 LYS 26 HZ1 LYS 26 -6.251 3.254 10.998 215 HZ2 LYS 26 HZ2 LYS 26 -5.598 3.477 9.519 216 HZ3 LYS 26 HZ3 LYS 26 -5.295 2.088 10.338 217 H MET 27 H MET 27 -5.465 -0.538 3.456 218 HA MET 27 HA MET 27 -6.166 0.836 1.017 219 HB2 MET 27 HB2 MET 27 -4.785 -1.831 1.512 220 HB3 MET 27 HB3 MET 27 -5.121 -1.201 -0.101 221 HG2 MET 27 HG2 MET 27 -3.860 0.851 0.388 222 HG3 MET 27 HG3 MET 27 -3.445 0.228 1.987 223 HE1 MET 27 HE1 MET 27 -1.449 1.245 -0.531 224 HE2 MET 27 HE2 MET 27 -0.956 0.946 1.152 225 HE3 MET 27 HE3 MET 27 -0.100 0.143 -0.187 226 H GLN 28 H GLN 28 -7.363 -2.307 2.393 227 HA GLN 28 HA GLN 28 -9.117 -2.889 0.214 228 HB2 GLN 28 HB2 GLN 28 -9.035 -3.632 3.139 229 HB3 GLN 28 HB3 GLN 28 -10.471 -4.003 2.221 230 HG2 GLN 28 HG2 GLN 28 -8.404 -5.720 2.456 231 HG3 GLN 28 HG3 GLN 28 -9.575 -5.739 1.149 232 HE21 GLN 28 HE21 GLN 28 -6.306 -4.463 1.955 233 HE22 GLN 28 HE22 GLN 28 -5.756 -4.594 0.271 234 H ALA 29 H ALA 29 -9.730 -0.845 3.126 235 HA ALA 29 HA ALA 29 -12.433 -0.265 2.438 236 HB1 ALA 29 HB1 ALA 29 -10.414 1.412 3.998 237 HB2 ALA 29 HB2 ALA 29 -12.177 1.625 4.002 238 HB3 ALA 29 HB3 ALA 29 -11.464 0.144 4.668 239 H SER 30 H SER 30 -9.402 1.551 1.600 240 HA SER 30 HA SER 30 -10.683 3.546 0.009 241 HB2 SER 30 HB2 SER 30 -7.883 2.378 -0.125 242 HB3 SER 30 HB3 SER 30 -8.419 3.806 -1.040 243 HG SER 30 HG SER 30 -7.416 3.995 1.233 244 H ILE 31 H ILE 31 -9.588 0.265 -0.921 245 HA ILE 31 HA ILE 31 -10.181 0.531 -3.733 246 HB ILE 31 HB ILE 31 -9.879 -1.861 -1.884 247 HG12 ILE 31 HG12 ILE 31 -8.075 -0.923 -4.151 248 HG13 ILE 31 HG13 ILE 31 -7.889 -0.316 -2.517 249 HG21 ILE 31 HG21 ILE 31 -10.211 -1.890 -4.920 250 HG22 ILE 31 HG22 ILE 31 -9.741 -3.283 -3.926 251 HG23 ILE 31 HG23 ILE 31 -11.339 -2.589 -3.735 252 HD11 ILE 31 HD11 ILE 31 -7.568 -3.219 -3.369 253 HD12 ILE 31 HD12 ILE 31 -6.305 -2.095 -2.845 254 HD13 ILE 31 HD13 ILE 31 -7.527 -2.641 -1.686 255 H GLU 32 H GLU 32 -12.158 -0.658 -0.965 256 HA GLU 32 HA GLU 32 -14.516 -1.252 -2.517 257 HB2 GLU 32 HB2 GLU 32 -14.078 -0.561 0.414 258 HB3 GLU 32 HB3 GLU 32 -15.647 -0.980 -0.242 259 HG2 GLU 32 HG2 GLU 32 -13.189 -2.763 -0.241 260 HG3 GLU 32 HG3 GLU 32 -14.587 -2.920 0.819 261 H LYS 33 H LYS 33 -13.341 1.778 -1.182 262 HA LYS 33 HA LYS 33 -15.777 3.238 -2.021 263 HB2 LYS 33 HB2 LYS 33 -13.215 4.074 -0.611 264 HB3 LYS 33 HB3 LYS 33 -14.548 5.166 -1.001 265 HG2 LYS 33 HG2 LYS 33 -16.109 3.664 0.295 266 HG3 LYS 33 HG3 LYS 33 -14.749 2.660 0.747 267 HD2 LYS 33 HD2 LYS 33 -15.267 4.103 2.589 268 HD3 LYS 33 HD3 LYS 33 -13.684 4.554 1.934 269 HE2 LYS 33 HE2 LYS 33 -14.692 6.451 0.729 270 HE3 LYS 33 HE3 LYS 33 -16.306 5.957 1.250 271 HZ1 LYS 33 HZ1 LYS 33 -15.304 7.771 2.565 272 HZ2 LYS 33 HZ2 LYS 33 -14.141 6.768 3.109 273 HZ3 LYS 33 HZ3 LYS 33 -15.727 6.495 3.518 274 H GLY 34 H GLY 34 -12.805 2.434 -3.483 275 HA2 GLY 34 HA2 GLY 34 -12.466 2.396 -5.756 276 HA3 GLY 34 HA3 GLY 34 -13.813 3.505 -5.987 277 H GLY 35 H GLY 35 -12.594 5.597 -4.196 278 HA2 GLY 35 HA2 GLY 35 -10.840 6.896 -6.144 279 HA3 GLY 35 HA3 GLY 35 -11.347 7.530 -4.581 280 H SER 36 H SER 36 -8.872 8.052 -5.275 281 HA SER 36 HA SER 36 -6.747 8.129 -4.523 282 HB2 SER 36 HB2 SER 36 -7.738 6.389 -2.244 283 HB3 SER 36 HB3 SER 36 -6.245 7.331 -2.259 284 HG SER 36 HG SER 36 -7.276 9.126 -2.024 285 H LEU 37 H LEU 37 -4.895 6.636 -3.529 286 HA LEU 37 HA LEU 37 -3.339 5.185 -3.806 287 HB2 LEU 37 HB2 LEU 37 -5.384 3.351 -5.049 288 HB3 LEU 37 HB3 LEU 37 -3.685 2.980 -5.113 289 HG LEU 37 HG LEU 37 -3.519 3.077 -2.645 290 HD11 LEU 37 HD11 LEU 37 -6.551 3.368 -2.736 291 HD12 LEU 37 HD12 LEU 37 -5.389 4.492 -1.988 292 HD13 LEU 37 HD13 LEU 37 -5.616 2.891 -1.298 293 HD21 LEU 37 HD21 LEU 37 -3.886 0.954 -3.842 294 HD22 LEU 37 HD22 LEU 37 -5.644 1.184 -3.723 295 HD23 LEU 37 HD23 LEU 37 -4.671 0.937 -2.257 296 HA PRO 38 HA PRO 38 -1.566 6.696 -7.411 297 HB2 PRO 38 HB2 PRO 38 0.991 6.199 -6.916 298 HB3 PRO 38 HB3 PRO 38 -0.036 6.942 -5.653 299 HG2 PRO 38 HG2 PRO 38 0.693 4.011 -5.977 300 HG3 PRO 38 HG3 PRO 38 0.811 5.044 -4.506 301 HD2 PRO 38 HD2 PRO 38 -1.350 3.401 -5.072 302 HD3 PRO 38 HD3 PRO 38 -1.406 4.886 -4.078 303 H LYS 39 H LYS 39 -2.136 3.483 -7.846 304 HA LYS 39 HA LYS 39 -1.746 1.857 -9.292 305 HB2 LYS 39 HB2 LYS 39 -2.578 3.624 -10.778 306 HB3 LYS 39 HB3 LYS 39 -0.912 4.004 -11.242 307 HG2 LYS 39 HG2 LYS 39 -0.650 1.630 -12.049 308 HG3 LYS 39 HG3 LYS 39 -2.350 1.339 -11.637 309 HD2 LYS 39 HD2 LYS 39 -3.012 3.155 -13.220 310 HD3 LYS 39 HD3 LYS 39 -1.299 3.389 -13.640 311 HE2 LYS 39 HE2 LYS 39 -1.173 1.044 -14.437 312 HE3 LYS 39 HE3 LYS 39 -2.862 0.794 -13.985 313 HZ1 LYS 39 HZ1 LYS 39 -3.358 2.686 -15.577 314 HZ2 LYS 39 HZ2 LYS 39 -2.838 1.285 -16.284 315 HZ3 LYS 39 HZ3 LYS 39 -1.808 2.537 -16.121 316 H VAL 40 H VAL 40 1.177 3.859 -9.900 317 HA VAL 40 HA VAL 40 2.529 1.393 -10.800 318 HB VAL 40 HB VAL 40 2.244 3.319 -12.271 319 HG11 VAL 40 HG11 VAL 40 4.242 4.761 -10.495 320 HG12 VAL 40 HG12 VAL 40 3.612 5.336 -12.046 321 HG13 VAL 40 HG13 VAL 40 2.521 5.175 -10.666 322 HG21 VAL 40 HG21 VAL 40 4.084 1.737 -12.701 323 HG22 VAL 40 HG22 VAL 40 4.443 3.375 -13.259 324 HG23 VAL 40 HG23 VAL 40 5.192 2.779 -11.771 325 H GLU 41 H GLU 41 4.679 0.763 -10.325 326 HA GLU 41 HA GLU 41 5.044 0.285 -7.726 327 HB2 GLU 41 HB2 GLU 41 7.368 -0.396 -8.142 328 HB3 GLU 41 HB3 GLU 41 6.215 -1.039 -9.294 329 HG2 GLU 41 HG2 GLU 41 7.058 0.274 -11.078 330 HG3 GLU 41 HG3 GLU 41 7.793 1.441 -10.022 331 H ALA 42 H ALA 42 7.092 2.935 -9.173 332 HA ALA 42 HA ALA 42 8.418 3.358 -6.661 333 HB1 ALA 42 HB1 ALA 42 9.400 3.876 -8.881 334 HB2 ALA 42 HB2 ALA 42 8.222 5.195 -9.090 335 HB3 ALA 42 HB3 ALA 42 9.432 5.273 -7.794 336 H LYS 43 H LYS 43 5.655 4.951 -8.213 337 HA LYS 43 HA LYS 43 5.191 6.958 -6.169 338 HB2 LYS 43 HB2 LYS 43 3.173 5.649 -8.044 339 HB3 LYS 43 HB3 LYS 43 2.981 7.168 -7.164 340 HG2 LYS 43 HG2 LYS 43 5.019 6.699 -9.368 341 HG3 LYS 43 HG3 LYS 43 3.433 7.456 -9.558 342 HD2 LYS 43 HD2 LYS 43 4.116 9.172 -7.838 343 HD3 LYS 43 HD3 LYS 43 5.764 8.500 -7.887 344 HE2 LYS 43 HE2 LYS 43 5.910 9.030 -10.297 345 HE3 LYS 43 HE3 LYS 43 4.228 9.592 -10.282 346 HZ1 LYS 43 HZ1 LYS 43 5.669 11.506 -10.058 347 HZ2 LYS 43 HZ2 LYS 43 6.487 10.847 -8.810 348 HZ3 LYS 43 HZ3 LYS 43 4.913 11.286 -8.633 349 H PHE 44 H PHE 44 4.142 3.579 -6.571 350 HA PHE 44 HA PHE 44 2.340 3.584 -4.360 351 HB2 PHE 44 HB2 PHE 44 2.206 1.924 -6.145 352 HB3 PHE 44 HB3 PHE 44 3.794 1.304 -5.746 353 HD1 PHE 44 HD2 PHE 44 4.173 -0.079 -3.731 354 HD2 PHE 44 HD1 PHE 44 0.239 1.328 -4.796 355 HE1 PHE 44 HE2 PHE 44 3.163 -1.736 -2.183 356 HE2 PHE 44 HE1 PHE 44 -0.770 -0.333 -3.244 357 HZ PHE 44 HZ PHE 44 0.689 -1.869 -1.943 358 H ILE 45 H ILE 45 5.761 2.507 -4.621 359 HA ILE 45 HA ILE 45 6.090 1.830 -1.870 360 HB ILE 45 HB ILE 45 8.093 2.711 -3.981 361 HG12 ILE 45 HG12 ILE 45 7.594 -0.074 -2.824 362 HG13 ILE 45 HG13 ILE 45 6.747 0.504 -4.248 363 HG21 ILE 45 HG21 ILE 45 9.101 3.160 -1.804 364 HG22 ILE 45 HG22 ILE 45 8.584 1.572 -1.186 365 HG23 ILE 45 HG23 ILE 45 9.824 1.696 -2.445 366 HD11 ILE 45 HD11 ILE 45 8.925 0.860 -5.413 367 HD12 ILE 45 HD12 ILE 45 9.756 0.120 -4.023 368 HD13 ILE 45 HD13 ILE 45 8.604 -0.828 -4.973 369 H ASN 46 H ASN 46 6.718 4.994 -3.534 370 HA ASN 46 HA ASN 46 7.433 6.408 -1.168 371 HB2 ASN 46 HB2 ASN 46 7.862 7.492 -3.239 372 HB3 ASN 46 HB3 ASN 46 6.213 7.243 -3.823 373 HD21 ASN 46 HD21 ASN 46 4.686 8.823 -3.466 374 HD22 ASN 46 HD22 ASN 46 4.794 10.022 -2.227 375 H TYR 47 H TYR 47 4.141 6.009 -2.602 376 HA TYR 47 HA TYR 47 2.720 7.542 -0.679 377 HB2 TYR 47 HB2 TYR 47 1.725 6.956 -2.724 378 HB3 TYR 47 HB3 TYR 47 2.020 5.237 -2.492 379 HD1 TYR 47 HD2 TYR 47 -0.047 8.092 -1.232 380 HD2 TYR 47 HD1 TYR 47 0.416 3.811 -1.495 381 HE1 TYR 47 HE2 TYR 47 -2.365 7.786 -0.380 382 HE2 TYR 47 HE1 TYR 47 -1.920 3.520 -0.645 383 HH TYR 47 HH TYR 47 -3.953 6.313 0.278 384 H VAL 48 H VAL 48 3.551 4.037 -0.647 385 HA VAL 48 HA VAL 48 2.389 3.534 1.912 386 HB VAL 48 HB VAL 48 4.598 2.131 0.355 387 HG11 VAL 48 HG11 VAL 48 3.377 1.280 3.011 388 HG12 VAL 48 HG12 VAL 48 4.290 0.203 1.931 389 HG13 VAL 48 HG13 VAL 48 5.096 1.590 2.663 390 HG21 VAL 48 HG21 VAL 48 2.270 1.972 -0.536 391 HG22 VAL 48 HG22 VAL 48 2.878 0.411 0.014 392 HG23 VAL 48 HG23 VAL 48 1.734 1.321 1.024 393 H LYS 49 H LYS 49 5.850 4.274 1.145 394 HA LYS 49 HA LYS 49 6.765 4.225 3.837 395 HB2 LYS 49 HB2 LYS 49 7.718 5.761 1.384 396 HB3 LYS 49 HB3 LYS 49 8.571 5.785 2.933 397 HG2 LYS 49 HG2 LYS 49 8.963 3.413 2.878 398 HG3 LYS 49 HG3 LYS 49 8.010 3.213 1.403 399 HD2 LYS 49 HD2 LYS 49 9.573 4.569 0.125 400 HD3 LYS 49 HD3 LYS 49 10.473 5.004 1.592 401 HE2 LYS 49 HE2 LYS 49 11.082 2.640 1.946 402 HE3 LYS 49 HE3 LYS 49 10.211 2.174 0.475 403 HZ1 LYS 49 HZ1 LYS 49 12.507 4.064 0.527 404 HZ2 LYS 49 HZ2 LYS 49 11.766 3.472 -0.826 405 HZ3 LYS 49 HZ3 LYS 49 12.619 2.472 0.154 406 H ASN 50 H ASN 50 5.604 7.060 1.990 407 HA ASN 50 HA ASN 50 6.081 8.731 4.328 408 HB2 ASN 50 HB2 ASN 50 6.272 10.436 2.942 409 HB3 ASN 50 HB3 ASN 50 6.510 9.180 1.741 410 HD21 ASN 50 HD21 ASN 50 4.388 8.476 0.580 411 HD22 ASN 50 HD22 ASN 50 3.379 9.856 0.118 412 H CYS 51 H CYS 51 3.085 7.459 2.834 413 HA CYS 51 HA CYS 51 1.503 9.138 4.707 414 HB2 CYS 51 HB2 CYS 51 0.583 7.320 2.451 415 HB3 CYS 51 HB3 CYS 51 -0.431 8.374 3.434 416 HG CYS 51 HG CYS 51 0.911 10.607 2.812 417 H PHE 52 H PHE 52 2.502 5.745 4.408 418 HA PHE 52 HA PHE 52 0.800 5.092 6.780 419 HB2 PHE 52 HB2 PHE 52 0.945 3.568 4.170 420 HB3 PHE 52 HB3 PHE 52 0.173 2.972 5.640 421 HD1 PHE 52 HD1 PHE 52 -1.782 4.224 6.652 422 HD2 PHE 52 HD2 PHE 52 -0.252 5.111 2.719 423 HE1 PHE 52 HE1 PHE 52 -3.876 5.434 6.116 424 HE2 PHE 52 HE2 PHE 52 -2.328 6.374 2.210 425 HZ PHE 52 HZ PHE 52 -4.153 6.520 3.886 426 H ARG 53 H ARG 53 3.936 4.925 5.630 427 HA ARG 53 HA ARG 53 5.837 4.125 6.604 428 HB2 ARG 53 HB2 ARG 53 5.939 4.791 8.952 429 HB3 ARG 53 HB3 ARG 53 5.205 5.956 7.856 430 HG2 ARG 53 HG2 ARG 53 2.945 5.350 8.689 431 HG3 ARG 53 HG3 ARG 53 3.690 4.245 9.857 432 HD2 ARG 53 HD2 ARG 53 4.854 6.138 10.900 433 HD3 ARG 53 HD3 ARG 53 4.269 7.245 9.670 434 HE ARG 53 HE ARG 53 2.799 6.135 11.948 435 HH11 ARG 53 HH11 ARG 53 2.394 7.874 8.878 436 HH12 ARG 53 HH12 ARG 53 0.702 8.171 9.241 437 HH21 ARG 53 HH21 ARG 53 0.730 6.805 12.355 438 HH22 ARG 53 HH22 ARG 53 -0.050 7.955 11.274 439 H MET 54 H MET 54 5.377 1.910 5.799 440 HA MET 54 HA MET 54 4.806 -0.163 7.776 441 HB2 MET 54 HB2 MET 54 5.784 -0.206 4.900 442 HB3 MET 54 HB3 MET 54 5.577 -1.680 5.854 443 HG2 MET 54 HG2 MET 54 3.351 0.335 5.350 444 HG3 MET 54 HG3 MET 54 3.628 -1.135 4.422 445 HE1 MET 54 HE1 MET 54 2.805 0.143 8.209 446 HE2 MET 54 HE2 MET 54 1.521 0.380 7.012 447 HE3 MET 54 HE3 MET 54 1.316 -0.807 8.314 448 H THR 55 H THR 55 7.752 1.427 6.913 449 HA THR 55 HA THR 55 9.864 1.272 7.553 450 HB THR 55 HB THR 55 10.488 0.509 9.712 451 HG1 THR 55 HG1 THR 55 8.149 -1.001 9.502 452 HG21 THR 55 HG21 THR 55 8.932 1.675 11.145 453 HG22 THR 55 HG22 THR 55 7.653 1.594 9.922 454 HG23 THR 55 HG23 THR 55 9.110 2.571 9.627 455 H ASP 56 H ASP 56 8.481 -1.934 7.064 456 HA ASP 56 HA ASP 56 11.207 -3.105 6.802 457 HB2 ASP 56 HB2 ASP 56 8.491 -4.441 6.896 458 HB3 ASP 56 HB3 ASP 56 10.060 -5.244 6.935 459 H GLN 57 H GLN 57 12.106 -3.494 4.835 460 HA GLN 57 HA GLN 57 10.727 -2.871 2.399 461 HB2 GLN 57 HB2 GLN 57 13.319 -2.967 3.056 462 HB3 GLN 57 HB3 GLN 57 13.199 -4.596 2.397 463 HG2 GLN 57 HG2 GLN 57 12.562 -1.956 1.021 464 HG3 GLN 57 HG3 GLN 57 13.923 -3.004 0.678 465 HE21 GLN 57 HE21 GLN 57 11.044 -2.051 -0.573 466 HE22 GLN 57 HE22 GLN 57 10.541 -3.540 -1.376 467 H GLU 58 H GLU 58 11.522 -5.956 3.980 468 HA GLU 58 HA GLU 58 10.492 -7.752 2.071 469 HB2 GLU 58 HB2 GLU 58 10.244 -9.308 3.987 470 HB3 GLU 58 HB3 GLU 58 11.809 -8.526 3.891 471 HG2 GLU 58 HG2 GLU 58 11.138 -6.929 5.686 472 HG3 GLU 58 HG3 GLU 58 9.557 -7.717 5.783 473 H ALA 59 H ALA 59 8.662 -5.753 4.396 474 HA ALA 59 HA ALA 59 6.126 -7.114 3.762 475 HB1 ALA 59 HB1 ALA 59 6.650 -4.589 5.373 476 HB2 ALA 59 HB2 ALA 59 5.114 -5.467 5.220 477 HB3 ALA 59 HB3 ALA 59 6.491 -6.240 6.034 478 H ILE 60 H ILE 60 7.793 -4.029 2.939 479 HA ILE 60 HA ILE 60 5.755 -2.865 1.333 480 HB ILE 60 HB ILE 60 8.771 -2.713 1.291 481 HG12 ILE 60 HG12 ILE 60 6.704 -0.624 2.094 482 HG13 ILE 60 HG13 ILE 60 7.383 -1.782 3.229 483 HG21 ILE 60 HG21 ILE 60 8.031 -2.181 -1.018 484 HG22 ILE 60 HG22 ILE 60 6.843 -1.025 -0.379 485 HG23 ILE 60 HG23 ILE 60 8.589 -0.734 -0.205 486 HD11 ILE 60 HD11 ILE 60 8.601 0.270 3.461 487 HD12 ILE 60 HD12 ILE 60 9.678 -0.928 2.719 488 HD13 ILE 60 HD13 ILE 60 8.944 0.350 1.725 489 H GLN 61 H GLN 61 8.313 -5.198 0.330 490 HA GLN 61 HA GLN 61 7.122 -5.430 -2.320 491 HB2 GLN 61 HB2 GLN 61 8.783 -7.031 -2.817 492 HB3 GLN 61 HB3 GLN 61 9.511 -5.705 -1.929 493 HG2 GLN 61 HG2 GLN 61 10.536 -7.533 -0.952 494 HG3 GLN 61 HG3 GLN 61 9.241 -7.194 0.176 495 HE21 GLN 61 HE21 GLN 61 8.635 -9.218 0.969 496 HE22 GLN 61 HE22 GLN 61 8.457 -10.659 -0.034 497 H ASP 62 H ASP 62 6.646 -7.317 0.726 498 HA ASP 62 HA ASP 62 5.089 -9.404 -0.500 499 HB2 ASP 62 HB2 ASP 62 5.959 -9.365 1.856 500 HB3 ASP 62 HB3 ASP 62 4.740 -8.163 2.260 501 H LEU 63 H LEU 63 4.276 -6.138 0.578 502 HA LEU 63 HA LEU 63 1.441 -6.256 0.135 503 HB2 LEU 63 HB2 LEU 63 3.517 -4.132 0.614 504 HB3 LEU 63 HB3 LEU 63 1.856 -3.659 0.238 505 HG LEU 63 HG LEU 63 2.545 -5.544 2.539 506 HD11 LEU 63 HD11 LEU 63 2.135 -2.523 2.606 507 HD12 LEU 63 HD12 LEU 63 3.683 -3.366 2.843 508 HD13 LEU 63 HD13 LEU 63 2.380 -3.597 4.008 509 HD21 LEU 63 HD21 LEU 63 0.181 -5.596 1.804 510 HD22 LEU 63 HD22 LEU 63 0.089 -3.826 1.938 511 HD23 LEU 63 HD23 LEU 63 0.336 -4.831 3.385 512 H TRP 64 H TRP 64 4.169 -5.033 -1.907 513 HA TRP 64 HA TRP 64 2.486 -4.212 -4.088 514 HB2 TRP 64 HB2 TRP 64 4.846 -3.537 -3.831 515 HB3 TRP 64 HB3 TRP 64 5.360 -5.194 -4.127 516 HD1 TRP 64 HD1 TRP 64 6.226 -5.486 -6.482 517 HE1 TRP 64 HE1 TRP 64 5.751 -4.511 -8.826 518 HE3 TRP 64 HE3 TRP 64 2.409 -2.247 -5.305 519 HZ2 TRP 64 HZ2 TRP 64 4.013 -2.601 -10.001 520 HZ3 TRP 64 HZ3 TRP 64 1.375 -0.855 -7.079 521 HH2 TRP 64 HH2 TRP 64 2.169 -1.016 -9.427 522 H GLN 65 H GLN 65 4.096 -7.364 -3.455 523 HA GLN 65 HA GLN 65 3.012 -8.708 -5.755 524 HB2 GLN 65 HB2 GLN 65 4.340 -9.482 -3.180 525 HB3 GLN 65 HB3 GLN 65 3.316 -10.696 -3.905 526 HG2 GLN 65 HG2 GLN 65 5.650 -10.930 -4.637 527 HG3 GLN 65 HG3 GLN 65 4.539 -10.679 -5.976 528 HE21 GLN 65 HE21 GLN 65 6.358 -8.394 -3.770 529 HE22 GLN 65 HE22 GLN 65 7.116 -7.549 -5.105 530 H TRP 66 H TRP 66 1.626 -8.208 -2.479 531 HA TRP 66 HA TRP 66 -0.731 -9.786 -2.932 532 HB2 TRP 66 HB2 TRP 66 0.147 -9.035 -0.733 533 HB3 TRP 66 HB3 TRP 66 -0.376 -7.393 -1.094 534 HD1 TRP 66 HD1 TRP 66 -2.838 -6.829 -0.509 535 HE1 TRP 66 HE1 TRP 66 -4.807 -8.126 0.562 536 HE3 TRP 66 HE3 TRP 66 -0.948 -11.592 -0.782 537 HZ2 TRP 66 HZ2 TRP 66 -5.494 -10.835 1.114 538 HZ3 TRP 66 HZ3 TRP 66 -2.300 -13.517 0.015 539 HH2 TRP 66 HH2 TRP 66 -4.575 -13.154 0.956 540 H ARG 67 H ARG 67 -0.158 -6.249 -3.373 541 HA ARG 67 HA ARG 67 -2.691 -5.561 -4.469 542 HB2 ARG 67 HB2 ARG 67 -1.017 -3.941 -3.701 543 HB3 ARG 67 HB3 ARG 67 0.105 -4.443 -4.955 544 HG2 ARG 67 HG2 ARG 67 -0.880 -2.316 -5.494 545 HG3 ARG 67 HG3 ARG 67 -1.337 -3.512 -6.703 546 HD2 ARG 67 HD2 ARG 67 -3.577 -3.670 -5.822 547 HD3 ARG 67 HD3 ARG 67 -3.150 -2.716 -4.382 548 HE ARG 67 HE ARG 67 -2.546 -1.208 -6.736 549 HH11 ARG 67 HH11 ARG 67 -5.602 -2.290 -5.354 550 HH12 ARG 67 HH12 ARG 67 -6.315 -0.713 -5.690 551 HH21 ARG 67 HH21 ARG 67 -3.675 0.520 -7.351 552 HH22 ARG 67 HH22 ARG 67 -5.359 0.674 -6.896 553 H LYS 68 H LYS 68 0.232 -6.698 -6.234 554 HA LYS 68 HA LYS 68 -1.136 -6.897 -8.793 555 HB2 LYS 68 HB2 LYS 68 1.443 -8.080 -7.693 556 HB3 LYS 68 HB3 LYS 68 0.890 -8.409 -9.328 557 HG2 LYS 68 HG2 LYS 68 1.485 -5.614 -8.261 558 HG3 LYS 68 HG3 LYS 68 2.587 -6.614 -9.211 559 HD2 LYS 68 HD2 LYS 68 0.849 -6.675 -11.056 560 HD3 LYS 68 HD3 LYS 68 -0.090 -5.495 -10.129 561 HE2 LYS 68 HE2 LYS 68 1.819 -3.910 -10.207 562 HE3 LYS 68 HE3 LYS 68 2.761 -5.095 -11.130 563 HZ1 LYS 68 HZ1 LYS 68 0.225 -3.836 -12.016 564 HZ2 LYS 68 HZ2 LYS 68 1.042 -4.955 -12.889 565 HZ3 LYS 68 HZ3 LYS 68 1.717 -3.483 -12.624 566 H SER 69 H SER 69 -1.485 -8.877 -6.035 567 HA SER 69 HA SER 69 -2.433 -11.195 -7.632 568 HB2 SER 69 HB2 SER 69 -1.904 -10.945 -4.654 569 HB3 SER 69 HB3 SER 69 -2.453 -12.405 -5.485 570 HG SER 69 HG SER 69 -0.005 -11.027 -5.672 571 H LEU 70 H LEU 70 -3.806 -8.472 -6.170 572 HA LEU 70 HA LEU 70 -6.464 -9.619 -5.711 573 HB2 LEU 70 HB2 LEU 70 -5.311 -6.818 -5.834 574 HB3 LEU 70 HB3 LEU 70 -7.026 -7.115 -5.578 575 HG LEU 70 HG LEU 70 -4.816 -8.088 -3.719 576 HD11 LEU 70 HD11 LEU 70 -6.798 -5.797 -3.427 577 HD12 LEU 70 HD12 LEU 70 -5.058 -5.629 -3.732 578 HD13 LEU 70 HD13 LEU 70 -5.629 -6.333 -2.205 579 HD21 LEU 70 HD21 LEU 70 -6.695 -8.486 -2.139 580 HD22 LEU 70 HD22 LEU 70 -6.785 -9.533 -3.555 581 HD23 LEU 70 HD23 LEU 70 -7.850 -8.110 -3.434 Start of MODEL 15 1 H GLN 1 H1 GLN 1 -32.713 11.844 -9.384 2 HA GLN 1 HA GLN 1 -34.315 9.479 -8.650 3 HB2 GLN 1 HB2 GLN 1 -32.996 10.296 -11.254 4 HB3 GLN 1 HB3 GLN 1 -33.210 8.603 -10.857 5 HG2 GLN 1 HG2 GLN 1 -34.985 9.360 -12.324 6 HG3 GLN 1 HG3 GLN 1 -35.625 8.829 -10.775 7 HE21 GLN 1 HE21 GLN 1 -35.188 11.636 -12.933 8 HE22 GLN 1 HE22 GLN 1 -36.153 12.708 -11.913 9 H GLU 2 H GLU 2 -33.208 7.618 -8.140 10 HA GLU 2 HA GLU 2 -31.589 6.267 -7.400 11 HB2 GLU 2 HB2 GLU 2 -30.066 7.640 -9.629 12 HB3 GLU 2 HB3 GLU 2 -29.533 6.154 -8.843 13 HG2 GLU 2 HG2 GLU 2 -31.337 4.882 -9.671 14 HG3 GLU 2 HG3 GLU 2 -32.315 6.295 -10.050 15 H SER 3 H SER 3 -31.434 9.249 -6.310 16 HA SER 3 HA SER 3 -28.789 9.154 -5.005 17 HB2 SER 3 HB2 SER 3 -31.073 11.142 -4.757 18 HB3 SER 3 HB3 SER 3 -29.449 11.325 -4.070 19 HG SER 3 HG SER 3 -30.299 11.937 -6.513 20 H PHE 4 H PHE 4 -32.068 8.283 -4.222 21 HA PHE 4 HA PHE 4 -33.142 7.454 -2.473 22 HB2 PHE 4 HB2 PHE 4 -30.394 6.564 -1.569 23 HB3 PHE 4 HB3 PHE 4 -31.899 6.015 -0.878 24 HD1 PHE 4 HD1 PHE 4 -29.885 6.024 -4.017 25 HD2 PHE 4 HD2 PHE 4 -33.215 4.289 -1.902 26 HE1 PHE 4 HE1 PHE 4 -30.030 4.224 -5.726 27 HE2 PHE 4 HE2 PHE 4 -33.348 2.485 -3.598 28 HZ PHE 4 HZ PHE 4 -31.761 2.450 -5.511 29 H LYS 5 H LYS 5 -33.855 7.616 -0.295 30 HA LYS 5 HA LYS 5 -33.381 10.290 0.781 31 HB2 LYS 5 HB2 LYS 5 -35.624 9.010 0.510 32 HB3 LYS 5 HB3 LYS 5 -35.194 8.186 2.013 33 HG2 LYS 5 HG2 LYS 5 -35.089 10.340 3.192 34 HG3 LYS 5 HG3 LYS 5 -35.273 11.221 1.671 35 HD2 LYS 5 HD2 LYS 5 -37.575 10.207 1.411 36 HD3 LYS 5 HD3 LYS 5 -37.353 9.430 2.984 37 HE2 LYS 5 HE2 LYS 5 -38.572 11.381 3.484 38 HE3 LYS 5 HE3 LYS 5 -36.914 11.748 3.957 39 HZ1 LYS 5 HZ1 LYS 5 -37.731 13.596 2.760 40 HZ2 LYS 5 HZ2 LYS 5 -38.354 12.689 1.535 41 HZ3 LYS 5 HZ3 LYS 5 -36.736 12.868 1.679 42 H LYS 6 H LYS 6 -32.262 7.110 1.572 43 HA LYS 6 HA LYS 6 -31.583 7.265 4.247 44 HB2 LYS 6 HB2 LYS 6 -30.098 5.469 3.866 45 HB3 LYS 6 HB3 LYS 6 -31.394 5.292 2.694 46 HG2 LYS 6 HG2 LYS 6 -29.857 6.420 0.976 47 HG3 LYS 6 HG3 LYS 6 -28.576 6.340 2.198 48 HD2 LYS 6 HD2 LYS 6 -28.984 3.818 2.301 49 HD3 LYS 6 HD3 LYS 6 -30.014 4.017 0.862 50 HE2 LYS 6 HE2 LYS 6 -28.040 5.139 -0.284 51 HE3 LYS 6 HE3 LYS 6 -27.072 4.779 1.152 52 HZ1 LYS 6 HZ1 LYS 6 -26.637 3.045 -0.297 53 HZ2 LYS 6 HZ2 LYS 6 -28.202 2.859 -0.785 54 HZ3 LYS 6 HZ3 LYS 6 -27.730 2.377 0.721 55 H GLN 7 H GLN 7 -29.869 7.802 5.488 56 HA GLN 7 HA GLN 7 -27.524 9.207 4.618 57 HB2 GLN 7 HB2 GLN 7 -28.038 11.415 5.583 58 HB3 GLN 7 HB3 GLN 7 -29.075 11.033 4.234 59 HG2 GLN 7 HG2 GLN 7 -30.812 11.655 5.521 60 HG3 GLN 7 HG3 GLN 7 -30.631 10.149 6.393 61 HE21 GLN 7 HE21 GLN 7 -29.420 13.546 6.324 62 HE22 GLN 7 HE22 GLN 7 -29.197 13.634 8.077 63 H GLU 8 H GLU 8 -26.039 9.584 6.275 64 HA GLU 8 HA GLU 8 -26.803 9.600 9.078 65 HB2 GLU 8 HB2 GLU 8 -24.834 7.468 8.132 66 HB3 GLU 8 HB3 GLU 8 -24.991 8.025 9.792 67 HG2 GLU 8 HG2 GLU 8 -27.370 7.223 9.786 68 HG3 GLU 8 HG3 GLU 8 -27.076 6.513 8.189 69 H LYS 9 H LYS 9 -25.417 10.912 10.228 70 HA LYS 9 HA LYS 9 -23.012 11.996 8.809 71 HB2 LYS 9 HB2 LYS 9 -23.164 13.960 10.234 72 HB3 LYS 9 HB3 LYS 9 -24.589 13.751 9.221 73 HG2 LYS 9 HG2 LYS 9 -25.878 12.899 11.129 74 HG3 LYS 9 HG3 LYS 9 -24.440 12.970 12.166 75 HD2 LYS 9 HD2 LYS 9 -24.339 15.416 11.906 76 HD3 LYS 9 HD3 LYS 9 -25.759 15.383 10.831 77 HE2 LYS 9 HE2 LYS 9 -27.171 14.513 12.589 78 HE3 LYS 9 HE3 LYS 9 -25.785 14.214 13.640 79 HZ1 LYS 9 HZ1 LYS 9 -26.927 16.180 14.308 80 HZ2 LYS 9 HZ2 LYS 9 -26.733 16.916 12.833 81 HZ3 LYS 9 HZ3 LYS 9 -25.442 16.592 13.818 82 H THR 10 H THR 10 -21.137 12.263 9.845 83 HA THR 10 HA THR 10 -19.335 11.334 10.940 84 HB THR 10 HB THR 10 -19.235 12.221 13.239 85 HG1 THR 10 HG1 THR 10 -21.059 12.258 14.215 86 HG21 THR 10 HG21 THR 10 -19.495 14.541 12.687 87 HG22 THR 10 HG22 THR 10 -20.576 14.168 11.328 88 HG23 THR 10 HG23 THR 10 -18.860 13.696 11.270 89 HA PRO 11 HA PRO 11 -21.423 7.472 12.680 90 HB2 PRO 11 HB2 PRO 11 -20.485 5.571 10.944 91 HB3 PRO 11 HB3 PRO 11 -21.997 6.496 10.693 92 HG2 PRO 11 HG2 PRO 11 -19.242 7.104 9.556 93 HG3 PRO 11 HG3 PRO 11 -20.806 7.020 8.678 94 HD2 PRO 11 HD2 PRO 11 -19.838 9.407 9.473 95 HD3 PRO 11 HD3 PRO 11 -21.574 9.035 9.667 96 H LYS 12 H LYS 12 -20.492 5.967 13.986 97 HA LYS 12 HA LYS 12 -17.749 6.739 14.796 98 HB2 LYS 12 HB2 LYS 12 -19.945 5.473 16.474 99 HB3 LYS 12 HB3 LYS 12 -18.414 6.165 17.011 100 HG2 LYS 12 HG2 LYS 12 -19.729 7.941 17.488 101 HG3 LYS 12 HG3 LYS 12 -19.326 8.364 15.824 102 HD2 LYS 12 HD2 LYS 12 -21.540 7.268 15.129 103 HD3 LYS 12 HD3 LYS 12 -21.885 7.045 16.852 104 HE2 LYS 12 HE2 LYS 12 -21.646 9.529 17.138 105 HE3 LYS 12 HE3 LYS 12 -21.399 9.670 15.384 106 HZ1 LYS 12 HZ1 LYS 12 -23.599 8.765 15.039 107 HZ2 LYS 12 HZ2 LYS 12 -23.748 10.053 16.018 108 HZ3 LYS 12 HZ3 LYS 12 -23.841 8.552 16.660 109 H THR 13 H THR 13 -17.297 5.163 12.891 110 HA THR 13 HA THR 13 -17.001 2.344 13.863 111 HB THR 13 HB THR 13 -17.246 3.158 10.959 112 HG1 THR 13 HG1 THR 13 -19.352 2.705 11.072 113 HG21 THR 13 HG21 THR 13 -16.381 0.859 11.491 114 HG22 THR 13 HG22 THR 13 -17.966 0.814 10.718 115 HG23 THR 13 HG23 THR 13 -17.833 0.567 12.473 116 HA PRO 14 HA PRO 14 -12.671 3.669 12.914 117 HB2 PRO 14 HB2 PRO 14 -11.416 2.707 15.155 118 HB3 PRO 14 HB3 PRO 14 -12.247 4.295 15.126 119 HG2 PRO 14 HG2 PRO 14 -13.357 1.631 16.076 120 HG3 PRO 14 HG3 PRO 14 -13.382 3.202 16.942 121 HD2 PRO 14 HD2 PRO 14 -15.514 2.311 15.509 122 HD3 PRO 14 HD3 PRO 14 -15.074 4.046 15.523 123 H LYS 15 H LYS 15 -11.194 2.502 11.919 124 HA LYS 15 HA LYS 15 -11.268 -0.434 11.876 125 HB2 LYS 15 HB2 LYS 15 -13.246 0.828 10.462 126 HB3 LYS 15 HB3 LYS 15 -11.997 0.850 9.248 127 HG2 LYS 15 HG2 LYS 15 -13.317 -1.109 8.908 128 HG3 LYS 15 HG3 LYS 15 -11.779 -1.669 9.570 129 HD2 LYS 15 HD2 LYS 15 -12.834 -1.858 11.828 130 HD3 LYS 15 HD3 LYS 15 -14.342 -1.211 11.187 131 HE2 LYS 15 HE2 LYS 15 -14.619 -3.161 9.718 132 HE3 LYS 15 HE3 LYS 15 -12.998 -3.741 10.100 133 HZ1 LYS 15 HZ1 LYS 15 -15.241 -3.590 12.045 134 HZ2 LYS 15 HZ2 LYS 15 -13.728 -4.166 12.380 135 HZ3 LYS 15 HZ3 LYS 15 -14.696 -4.957 11.351 136 H GLY 16 H GLY 16 -9.177 0.874 12.623 137 HA2 GLY 16 HA2 GLY 16 -7.206 1.000 10.347 138 HA3 GLY 16 HA3 GLY 16 -7.382 2.293 11.530 139 HA PRO 17 HA PRO 17 -5.255 -1.630 13.716 140 HB2 PRO 17 HB2 PRO 17 -3.968 -2.506 11.139 141 HB3 PRO 17 HB3 PRO 17 -4.395 -3.491 12.572 142 HG2 PRO 17 HG2 PRO 17 -5.971 -3.540 10.376 143 HG3 PRO 17 HG3 PRO 17 -6.726 -3.412 11.999 144 HD2 PRO 17 HD2 PRO 17 -6.214 -1.211 9.992 145 HD3 PRO 17 HD3 PRO 17 -7.645 -1.517 11.006 146 H SER 18 H SER 18 -2.595 -2.237 13.579 147 HA SER 18 HA SER 18 -1.173 0.374 13.212 148 HB2 SER 18 HB2 SER 18 -1.146 -1.361 15.696 149 HB3 SER 18 HB3 SER 18 -0.233 0.142 15.449 150 HG SER 18 HG SER 18 -2.255 0.337 16.614 151 H SER 19 H SER 19 -1.016 -1.980 11.549 152 HA SER 19 HA SER 19 1.868 -2.220 11.284 153 HB2 SER 19 HB2 SER 19 1.234 -4.009 12.987 154 HB3 SER 19 HB3 SER 19 0.283 -4.789 11.710 155 HG SER 19 HG SER 19 2.497 -5.539 11.976 156 H VAL 20 H VAL 20 1.752 -4.472 9.433 157 HA VAL 20 HA VAL 20 1.084 -3.180 7.017 158 HB VAL 20 HB VAL 20 0.996 -6.204 7.255 159 HG11 VAL 20 HG11 VAL 20 2.023 -6.092 5.011 160 HG12 VAL 20 HG12 VAL 20 0.504 -5.199 5.032 161 HG13 VAL 20 HG13 VAL 20 2.042 -4.316 5.090 162 HG21 VAL 20 HG21 VAL 20 3.054 -5.543 8.465 163 HG22 VAL 20 HG22 VAL 20 3.431 -6.288 6.913 164 HG23 VAL 20 HG23 VAL 20 3.538 -4.531 7.080 165 H GLU 21 H GLU 21 -0.966 -5.256 9.011 166 HA GLU 21 HA GLU 21 -3.252 -5.478 7.395 167 HB2 GLU 21 HB2 GLU 21 -4.466 -5.484 9.642 168 HB3 GLU 21 HB3 GLU 21 -3.310 -6.761 9.305 169 HG2 GLU 21 HG2 GLU 21 -1.625 -5.692 10.711 170 HG3 GLU 21 HG3 GLU 21 -2.669 -4.314 10.993 171 H ASP 22 H ASP 22 -2.108 -2.495 8.888 172 HA ASP 22 HA ASP 22 -4.671 -1.059 8.649 173 HB2 ASP 22 HB2 ASP 22 -2.877 -0.507 10.321 174 HB3 ASP 22 HB3 ASP 22 -1.839 -0.008 9.002 175 H ILE 23 H ILE 23 -1.601 -1.220 6.860 176 HA ILE 23 HA ILE 23 -2.307 0.466 4.645 177 HB ILE 23 HB ILE 23 -0.374 -1.787 5.157 178 HG12 ILE 23 HG12 ILE 23 0.305 0.960 4.137 179 HG13 ILE 23 HG13 ILE 23 -0.149 0.756 5.825 180 HG21 ILE 23 HG21 ILE 23 -0.934 -2.320 2.925 181 HG22 ILE 23 HG22 ILE 23 -0.870 -0.608 2.411 182 HG23 ILE 23 HG23 ILE 23 0.610 -1.472 2.882 183 HD11 ILE 23 HD11 ILE 23 2.327 0.676 5.413 184 HD12 ILE 23 HD12 ILE 23 1.674 -0.730 6.274 185 HD13 ILE 23 HD13 ILE 23 2.098 -0.861 4.555 186 H LYS 24 H LYS 24 -2.816 -3.043 5.175 187 HA LYS 24 HA LYS 24 -4.187 -3.456 2.669 188 HB2 LYS 24 HB2 LYS 24 -4.047 -5.053 5.253 189 HB3 LYS 24 HB3 LYS 24 -4.918 -5.636 3.821 190 HG2 LYS 24 HG2 LYS 24 -2.977 -5.803 2.509 191 HG3 LYS 24 HG3 LYS 24 -2.113 -4.613 3.482 192 HD2 LYS 24 HD2 LYS 24 -1.101 -6.763 3.759 193 HD3 LYS 24 HD3 LYS 24 -1.760 -6.147 5.269 194 HE2 LYS 24 HE2 LYS 24 -3.720 -7.692 5.014 195 HE3 LYS 24 HE3 LYS 24 -3.040 -8.270 3.477 196 HZ1 LYS 24 HZ1 LYS 24 -2.383 -9.773 5.247 197 HZ2 LYS 24 HZ2 LYS 24 -1.779 -8.549 6.152 198 HZ3 LYS 24 HZ3 LYS 24 -1.046 -8.984 4.758 199 H ALA 25 H ALA 25 -5.502 -2.776 5.920 200 HA ALA 25 HA ALA 25 -8.264 -2.843 5.188 201 HB1 ALA 25 HB1 ALA 25 -7.433 -2.992 7.476 202 HB2 ALA 25 HB2 ALA 25 -6.738 -1.367 7.371 203 HB3 ALA 25 HB3 ALA 25 -8.509 -1.590 7.329 204 H LYS 26 H LYS 26 -5.973 -0.058 5.359 205 HA LYS 26 HA LYS 26 -7.803 1.957 4.455 206 HB2 LYS 26 HB2 LYS 26 -4.786 1.692 4.490 207 HB3 LYS 26 HB3 LYS 26 -5.599 3.149 3.882 208 HG2 LYS 26 HG2 LYS 26 -6.599 3.597 6.029 209 HG3 LYS 26 HG3 LYS 26 -6.125 2.018 6.650 210 HD2 LYS 26 HD2 LYS 26 -4.614 3.624 7.594 211 HD3 LYS 26 HD3 LYS 26 -3.737 2.624 6.462 212 HE2 LYS 26 HE2 LYS 26 -2.983 4.869 6.144 213 HE3 LYS 26 HE3 LYS 26 -3.996 4.501 4.739 214 HZ1 LYS 26 HZ1 LYS 26 -4.459 6.683 5.681 215 HZ2 LYS 26 HZ2 LYS 26 -4.853 6.033 7.139 216 HZ3 LYS 26 HZ3 LYS 26 -5.798 5.755 5.816 217 H MET 27 H MET 27 -5.727 -0.293 2.584 218 HA MET 27 HA MET 27 -6.578 0.741 0.017 219 HB2 MET 27 HB2 MET 27 -5.412 -1.934 0.842 220 HB3 MET 27 HB3 MET 27 -5.913 -1.560 -0.812 221 HG2 MET 27 HG2 MET 27 -4.403 0.428 -0.808 222 HG3 MET 27 HG3 MET 27 -3.848 -0.022 0.798 223 HE1 MET 27 HE1 MET 27 -3.690 -0.645 -3.025 224 HE2 MET 27 HE2 MET 27 -2.854 -2.202 -3.178 225 HE3 MET 27 HE3 MET 27 -4.521 -2.151 -2.580 226 H GLN 28 H GLN 28 -8.044 -1.889 2.095 227 HA GLN 28 HA GLN 28 -10.067 -2.531 0.151 228 HB2 GLN 28 HB2 GLN 28 -10.453 -2.652 3.166 229 HB3 GLN 28 HB3 GLN 28 -11.384 -3.472 1.930 230 HG2 GLN 28 HG2 GLN 28 -8.722 -4.186 3.076 231 HG3 GLN 28 HG3 GLN 28 -10.137 -5.174 2.835 232 HE21 GLN 28 HE21 GLN 28 -7.164 -4.060 1.437 233 HE22 GLN 28 HE22 GLN 28 -7.279 -5.032 -0.039 234 H ALA 29 H ALA 29 -10.034 -0.114 2.795 235 HA ALA 29 HA ALA 29 -12.643 0.930 2.384 236 HB1 ALA 29 HB1 ALA 29 -11.795 2.860 3.662 237 HB2 ALA 29 HB2 ALA 29 -11.283 1.328 4.396 238 HB3 ALA 29 HB3 ALA 29 -10.130 2.292 3.445 239 H SER 30 H SER 30 -9.509 2.040 0.985 240 HA SER 30 HA SER 30 -10.551 4.134 -0.618 241 HB2 SER 30 HB2 SER 30 -8.185 2.315 -1.243 242 HB3 SER 30 HB3 SER 30 -8.519 3.892 -1.974 243 HG SER 30 HG SER 30 -7.950 3.336 0.763 244 H ILE 31 H ILE 31 -10.000 0.696 -1.514 245 HA ILE 31 HA ILE 31 -10.880 0.966 -4.207 246 HB ILE 31 HB ILE 31 -10.485 -1.407 -2.359 247 HG12 ILE 31 HG12 ILE 31 -8.907 -0.476 -4.810 248 HG13 ILE 31 HG13 ILE 31 -8.513 0.023 -3.173 249 HG21 ILE 31 HG21 ILE 31 -10.610 -2.878 -4.365 250 HG22 ILE 31 HG22 ILE 31 -12.156 -2.140 -3.996 251 HG23 ILE 31 HG23 ILE 31 -11.167 -1.498 -5.330 252 HD11 ILE 31 HD11 ILE 31 -8.179 -2.383 -2.537 253 HD12 ILE 31 HD12 ILE 31 -8.379 -2.815 -4.254 254 HD13 ILE 31 HD13 ILE 31 -7.046 -1.768 -3.757 255 H GLU 32 H GLU 32 -12.759 -0.070 -1.289 256 HA GLU 32 HA GLU 32 -15.152 -0.438 -3.000 257 HB2 GLU 32 HB2 GLU 32 -14.740 -0.734 -0.020 258 HB3 GLU 32 HB3 GLU 32 -16.254 -1.062 -0.853 259 HG2 GLU 32 HG2 GLU 32 -13.637 -2.524 -1.437 260 HG3 GLU 32 HG3 GLU 32 -14.900 -3.103 -0.359 261 H LYS 33 H LYS 33 -14.142 1.935 -0.485 262 HA LYS 33 HA LYS 33 -16.779 3.296 -0.767 263 HB2 LYS 33 HB2 LYS 33 -14.632 3.659 1.349 264 HB3 LYS 33 HB3 LYS 33 -16.247 4.362 1.345 265 HG2 LYS 33 HG2 LYS 33 -17.221 2.046 1.376 266 HG3 LYS 33 HG3 LYS 33 -15.587 1.387 1.554 267 HD2 LYS 33 HD2 LYS 33 -16.932 3.317 3.491 268 HD3 LYS 33 HD3 LYS 33 -16.813 1.566 3.696 269 HE2 LYS 33 HE2 LYS 33 -14.340 1.715 3.723 270 HE3 LYS 33 HE3 LYS 33 -14.436 3.478 3.538 271 HZ1 LYS 33 HZ1 LYS 33 -15.605 3.583 5.648 272 HZ2 LYS 33 HZ2 LYS 33 -14.188 2.764 5.884 273 HZ3 LYS 33 HZ3 LYS 33 -15.589 1.933 5.787 274 H GLY 34 H GLY 34 -13.508 3.824 -1.740 275 HA2 GLY 34 HA2 GLY 34 -13.444 5.370 -3.653 276 HA3 GLY 34 HA3 GLY 34 -14.270 6.575 -2.680 277 H GLY 35 H GLY 35 -11.311 5.593 -3.805 278 HA2 GLY 35 HA2 GLY 35 -9.927 7.836 -2.703 279 HA3 GLY 35 HA3 GLY 35 -9.409 6.373 -1.858 280 H SER 36 H SER 36 -8.492 8.340 -4.299 281 HA SER 36 HA SER 36 -7.929 6.314 -6.342 282 HB2 SER 36 HB2 SER 36 -7.268 8.110 -7.777 283 HB3 SER 36 HB3 SER 36 -8.816 8.471 -7.012 284 HG SER 36 HG SER 36 -7.412 9.701 -5.408 285 H LEU 37 H LEU 37 -6.008 5.518 -7.011 286 HA LEU 37 HA LEU 37 -3.668 5.943 -5.188 287 HB2 LEU 37 HB2 LEU 37 -5.217 3.478 -5.930 288 HB3 LEU 37 HB3 LEU 37 -3.476 3.318 -5.858 289 HG LEU 37 HG LEU 37 -3.412 4.062 -3.539 290 HD11 LEU 37 HD11 LEU 37 -5.625 4.069 -2.260 291 HD12 LEU 37 HD12 LEU 37 -6.427 4.215 -3.828 292 HD13 LEU 37 HD13 LEU 37 -5.315 5.484 -3.266 293 HD21 LEU 37 HD21 LEU 37 -4.457 2.056 -2.570 294 HD22 LEU 37 HD22 LEU 37 -3.638 1.666 -4.087 295 HD23 LEU 37 HD23 LEU 37 -5.410 1.817 -4.053 296 HA PRO 38 HA PRO 38 -1.111 5.636 -8.966 297 HB2 PRO 38 HB2 PRO 38 1.318 5.236 -7.887 298 HB3 PRO 38 HB3 PRO 38 0.480 6.814 -7.727 299 HG2 PRO 38 HG2 PRO 38 0.574 4.537 -5.720 300 HG3 PRO 38 HG3 PRO 38 0.903 6.275 -5.426 301 HD2 PRO 38 HD2 PRO 38 -1.527 5.087 -4.938 302 HD3 PRO 38 HD3 PRO 38 -1.376 6.791 -5.457 303 H LYS 39 H LYS 39 -0.136 3.945 -10.171 304 HA LYS 39 HA LYS 39 -0.205 1.205 -8.939 305 HB2 LYS 39 HB2 LYS 39 -0.775 0.295 -11.141 306 HB3 LYS 39 HB3 LYS 39 -2.017 1.328 -10.442 307 HG2 LYS 39 HG2 LYS 39 -1.390 3.177 -11.939 308 HG3 LYS 39 HG3 LYS 39 -0.082 2.194 -12.635 309 HD2 LYS 39 HD2 LYS 39 -1.719 0.578 -13.496 310 HD3 LYS 39 HD3 LYS 39 -3.049 1.464 -12.714 311 HE2 LYS 39 HE2 LYS 39 -2.609 3.439 -14.096 312 HE3 LYS 39 HE3 LYS 39 -1.198 2.654 -14.823 313 HZ1 LYS 39 HZ1 LYS 39 -4.003 1.713 -15.118 314 HZ2 LYS 39 HZ2 LYS 39 -2.694 0.981 -15.766 315 HZ3 LYS 39 HZ3 LYS 39 -3.095 2.460 -16.289 316 H VAL 40 H VAL 40 1.764 3.423 -10.833 317 HA VAL 40 HA VAL 40 3.810 1.510 -11.460 318 HB VAL 40 HB VAL 40 3.574 3.730 -12.541 319 HG11 VAL 40 HG11 VAL 40 4.549 5.718 -11.576 320 HG12 VAL 40 HG12 VAL 40 3.280 5.135 -10.494 321 HG13 VAL 40 HG13 VAL 40 4.990 4.855 -10.092 322 HG21 VAL 40 HG21 VAL 40 5.626 2.365 -12.769 323 HG22 VAL 40 HG22 VAL 40 5.953 4.103 -12.852 324 HG23 VAL 40 HG23 VAL 40 6.340 3.210 -11.374 325 H GLU 41 H GLU 41 5.625 0.849 -10.399 326 HA GLU 41 HA GLU 41 5.170 0.229 -7.741 327 HB2 GLU 41 HB2 GLU 41 6.495 -1.089 -9.335 328 HB3 GLU 41 HB3 GLU 41 7.785 0.108 -9.287 329 HG2 GLU 41 HG2 GLU 41 8.108 -0.385 -6.851 330 HG3 GLU 41 HG3 GLU 41 6.836 -1.604 -6.946 331 H ALA 42 H ALA 42 7.620 2.688 -8.835 332 HA ALA 42 HA ALA 42 8.524 3.302 -6.240 333 HB1 ALA 42 HB1 ALA 42 8.418 4.985 -8.779 334 HB2 ALA 42 HB2 ALA 42 9.336 5.416 -7.319 335 HB3 ALA 42 HB3 ALA 42 9.748 3.942 -8.215 336 H LYS 43 H LYS 43 5.891 4.956 -8.069 337 HA LYS 43 HA LYS 43 5.315 6.858 -5.960 338 HB2 LYS 43 HB2 LYS 43 3.545 5.873 -8.235 339 HB3 LYS 43 HB3 LYS 43 3.154 7.206 -7.133 340 HG2 LYS 43 HG2 LYS 43 5.295 8.324 -7.826 341 HG3 LYS 43 HG3 LYS 43 5.480 7.075 -9.074 342 HD2 LYS 43 HD2 LYS 43 3.235 7.780 -10.011 343 HD3 LYS 43 HD3 LYS 43 3.195 9.081 -8.800 344 HE2 LYS 43 HE2 LYS 43 5.395 9.911 -9.719 345 HE3 LYS 43 HE3 LYS 43 5.276 8.697 -11.002 346 HZ1 LYS 43 HZ1 LYS 43 4.449 10.866 -11.704 347 HZ2 LYS 43 HZ2 LYS 43 3.306 10.878 -10.524 348 HZ3 LYS 43 HZ3 LYS 43 3.200 9.790 -11.728 349 H PHE 44 H PHE 44 4.146 3.568 -6.636 350 HA PHE 44 HA PHE 44 2.174 3.620 -4.582 351 HB2 PHE 44 HB2 PHE 44 2.099 1.976 -6.375 352 HB3 PHE 44 HB3 PHE 44 3.631 1.277 -5.858 353 HD1 PHE 44 HD2 PHE 44 0.077 1.835 -4.829 354 HD2 PHE 44 HD1 PHE 44 3.720 -0.343 -4.073 355 HE1 PHE 44 HE2 PHE 44 -1.127 0.387 -3.218 356 HE2 PHE 44 HE1 PHE 44 2.513 -1.795 -2.457 357 HZ PHE 44 HZ PHE 44 0.088 -1.421 -2.015 358 H ILE 45 H ILE 45 5.650 2.615 -4.500 359 HA ILE 45 HA ILE 45 5.731 1.883 -1.728 360 HB ILE 45 HB ILE 45 7.851 3.004 -3.587 361 HG12 ILE 45 HG12 ILE 45 7.508 0.200 -2.447 362 HG13 ILE 45 HG13 ILE 45 6.817 0.677 -3.981 363 HG21 ILE 45 HG21 ILE 45 9.525 2.275 -1.884 364 HG22 ILE 45 HG22 ILE 45 8.531 3.583 -1.288 365 HG23 ILE 45 HG23 ILE 45 8.204 1.918 -0.750 366 HD11 ILE 45 HD11 ILE 45 8.878 -0.471 -4.414 367 HD12 ILE 45 HD12 ILE 45 9.098 1.237 -4.840 368 HD13 ILE 45 HD13 ILE 45 9.787 0.589 -3.331 369 H ASN 46 H ASN 46 6.224 5.114 -3.256 370 HA ASN 46 HA ASN 46 6.454 6.614 -0.853 371 HB2 ASN 46 HB2 ASN 46 6.994 7.904 -2.648 372 HB3 ASN 46 HB3 ASN 46 5.839 7.139 -3.719 373 HD21 ASN 46 HD21 ASN 46 3.623 7.828 -3.714 374 HD22 ASN 46 HD22 ASN 46 3.196 9.412 -3.071 375 H TYR 47 H TYR 47 3.461 5.585 -2.541 376 HA TYR 47 HA TYR 47 1.617 6.888 -0.785 377 HB2 TYR 47 HB2 TYR 47 0.836 6.256 -2.904 378 HB3 TYR 47 HB3 TYR 47 1.435 4.617 -2.761 379 HD1 TYR 47 HD1 TYR 47 -1.218 6.939 -1.581 380 HD2 TYR 47 HD2 TYR 47 0.167 2.852 -1.744 381 HE1 TYR 47 HE1 TYR 47 -3.403 6.158 -0.701 382 HE2 TYR 47 HE2 TYR 47 -2.028 2.082 -0.832 383 HH TYR 47 HH TYR 47 -4.678 4.381 -0.128 384 H VAL 48 H VAL 48 3.018 3.574 -0.664 385 HA VAL 48 HA VAL 48 1.549 2.762 1.686 386 HB VAL 48 HB VAL 48 4.166 1.741 0.519 387 HG11 VAL 48 HG11 VAL 48 3.763 -0.270 1.970 388 HG12 VAL 48 HG12 VAL 48 4.142 1.172 2.919 389 HG13 VAL 48 HG13 VAL 48 2.462 0.630 2.784 390 HG21 VAL 48 HG21 VAL 48 2.109 1.354 -0.861 391 HG22 VAL 48 HG22 VAL 48 2.768 -0.147 -0.214 392 HG23 VAL 48 HG23 VAL 48 1.331 0.587 0.533 393 H LYS 49 H LYS 49 4.839 4.187 1.315 394 HA LYS 49 HA LYS 49 5.453 4.404 4.110 395 HB2 LYS 49 HB2 LYS 49 6.258 6.074 1.679 396 HB3 LYS 49 HB3 LYS 49 6.933 6.345 3.276 397 HG2 LYS 49 HG2 LYS 49 7.182 3.705 1.762 398 HG3 LYS 49 HG3 LYS 49 8.382 5.002 1.757 399 HD2 LYS 49 HD2 LYS 49 8.548 4.805 4.258 400 HD3 LYS 49 HD3 LYS 49 7.436 3.435 4.190 401 HE2 LYS 49 HE2 LYS 49 9.599 2.519 4.354 402 HE3 LYS 49 HE3 LYS 49 9.079 2.248 2.681 403 HZ1 LYS 49 HZ1 LYS 49 10.523 4.034 1.978 404 HZ2 LYS 49 HZ2 LYS 49 11.408 3.087 2.999 405 HZ3 LYS 49 HZ3 LYS 49 10.785 4.525 3.504 406 H ASN 50 H ASN 50 3.473 6.466 2.061 407 HA ASN 50 HA ASN 50 2.910 8.473 4.065 408 HB2 ASN 50 HB2 ASN 50 2.510 9.251 1.941 409 HB3 ASN 50 HB3 ASN 50 1.973 7.717 1.325 410 HD21 ASN 50 HD21 ASN 50 -0.186 7.111 1.422 411 HD22 ASN 50 HD22 ASN 50 -1.447 8.256 1.858 412 H CYS 51 H CYS 51 1.214 5.418 3.156 413 HA CYS 51 HA CYS 51 -1.032 5.900 4.887 414 HB2 CYS 51 HB2 CYS 51 0.064 3.386 3.554 415 HB3 CYS 51 HB3 CYS 51 -1.415 3.406 4.530 416 HG CYS 51 HG CYS 51 -0.675 4.944 1.711 417 H PHE 52 H PHE 52 1.993 4.018 5.435 418 HA PHE 52 HA PHE 52 1.744 4.496 8.280 419 HB2 PHE 52 HB2 PHE 52 0.292 2.449 7.946 420 HB3 PHE 52 HB3 PHE 52 1.709 1.608 7.351 421 HD1 PHE 52 HD1 PHE 52 0.047 3.022 10.327 422 HD2 PHE 52 HD2 PHE 52 3.464 0.843 8.872 423 HE1 PHE 52 HE1 PHE 52 0.617 2.358 12.653 424 HE2 PHE 52 HE2 PHE 52 4.039 0.183 11.196 425 HZ PHE 52 HZ PHE 52 2.618 0.939 13.087 426 H ARG 53 H ARG 53 3.700 4.130 9.407 427 HA ARG 53 HA ARG 53 6.083 4.361 7.793 428 HB2 ARG 53 HB2 ARG 53 5.459 5.615 9.865 429 HB3 ARG 53 HB3 ARG 53 5.836 4.169 10.805 430 HG2 ARG 53 HG2 ARG 53 8.194 4.271 10.058 431 HG3 ARG 53 HG3 ARG 53 7.820 5.600 8.951 432 HD2 ARG 53 HD2 ARG 53 7.499 5.711 11.965 433 HD3 ARG 53 HD3 ARG 53 8.910 6.321 11.090 434 HE ARG 53 HE ARG 53 7.136 7.747 9.813 435 HH11 ARG 53 HH11 ARG 53 6.917 7.154 13.301 436 HH12 ARG 53 HH12 ARG 53 6.259 8.767 13.550 437 HH21 ARG 53 HH21 ARG 53 6.126 9.560 10.214 438 HH22 ARG 53 HH22 ARG 53 5.677 10.031 11.847 439 H MET 54 H MET 54 5.394 2.101 6.923 440 HA MET 54 HA MET 54 5.953 -0.172 8.540 441 HB2 MET 54 HB2 MET 54 4.463 0.194 6.346 442 HB3 MET 54 HB3 MET 54 5.913 -0.392 5.530 443 HG2 MET 54 HG2 MET 54 4.453 -2.250 5.945 444 HG3 MET 54 HG3 MET 54 5.829 -2.436 7.027 445 HE1 MET 54 HE1 MET 54 5.128 -3.737 9.082 446 HE2 MET 54 HE2 MET 54 5.666 -2.161 9.712 447 HE3 MET 54 HE3 MET 54 4.204 -2.929 10.364 448 H THR 55 H THR 55 8.178 1.753 6.853 449 HA THR 55 HA THR 55 10.390 1.774 6.720 450 HB THR 55 HB THR 55 10.187 -0.205 9.004 451 HG1 THR 55 HG1 THR 55 8.966 1.723 9.252 452 HG21 THR 55 HG21 THR 55 12.254 0.879 9.799 453 HG22 THR 55 HG22 THR 55 12.357 1.802 8.279 454 HG23 THR 55 HG23 THR 55 12.515 0.026 8.274 455 H ASP 56 H ASP 56 9.684 -1.761 6.938 456 HA ASP 56 HA ASP 56 12.339 -2.331 5.910 457 HB2 ASP 56 HB2 ASP 56 10.001 -4.132 6.627 458 HB3 ASP 56 HB3 ASP 56 11.622 -4.687 6.208 459 H GLN 57 H GLN 57 13.004 -2.750 3.908 460 HA GLN 57 HA GLN 57 11.430 -2.855 1.605 461 HB2 GLN 57 HB2 GLN 57 13.835 -2.464 1.637 462 HB3 GLN 57 HB3 GLN 57 14.122 -4.126 2.157 463 HG2 GLN 57 HG2 GLN 57 14.586 -3.924 -0.212 464 HG3 GLN 57 HG3 GLN 57 13.186 -4.959 0.030 465 HE21 GLN 57 HE21 GLN 57 11.087 -4.214 -0.620 466 HE22 GLN 57 HE22 GLN 57 10.997 -2.999 -1.898 467 H GLU 58 H GLU 58 12.294 -5.645 3.697 468 HA GLU 58 HA GLU 58 11.176 -7.674 2.079 469 HB2 GLU 58 HB2 GLU 58 10.911 -8.935 4.272 470 HB3 GLU 58 HB3 GLU 58 12.517 -8.446 3.779 471 HG2 GLU 58 HG2 GLU 58 12.542 -6.611 5.387 472 HG3 GLU 58 HG3 GLU 58 10.846 -6.910 5.803 473 H ALA 59 H ALA 59 9.468 -5.539 4.401 474 HA ALA 59 HA ALA 59 6.908 -6.959 4.059 475 HB1 ALA 59 HB1 ALA 59 7.385 -5.805 6.164 476 HB2 ALA 59 HB2 ALA 59 7.534 -4.252 5.297 477 HB3 ALA 59 HB3 ALA 59 5.975 -5.115 5.332 478 H ILE 60 H ILE 60 8.506 -4.031 2.751 479 HA ILE 60 HA ILE 60 6.377 -3.049 1.144 480 HB ILE 60 HB ILE 60 9.379 -2.927 0.892 481 HG12 ILE 60 HG12 ILE 60 7.385 -0.749 1.643 482 HG13 ILE 60 HG13 ILE 60 8.193 -1.771 2.820 483 HG21 ILE 60 HG21 ILE 60 9.052 -1.086 -0.785 484 HG22 ILE 60 HG22 ILE 60 8.494 -2.627 -1.400 485 HG23 ILE 60 HG23 ILE 60 7.310 -1.447 -0.800 486 HD11 ILE 60 HD11 ILE 60 9.469 0.282 0.997 487 HD12 ILE 60 HD12 ILE 60 9.494 0.180 2.772 488 HD13 ILE 60 HD13 ILE 60 10.426 -0.978 1.810 489 H GLN 61 H GLN 61 8.962 -5.400 0.176 490 HA GLN 61 HA GLN 61 7.671 -5.850 -2.372 491 HB2 GLN 61 HB2 GLN 61 9.316 -7.534 -2.793 492 HB3 GLN 61 HB3 GLN 61 10.051 -6.101 -2.103 493 HG2 GLN 61 HG2 GLN 61 11.199 -7.744 -0.983 494 HG3 GLN 61 HG3 GLN 61 9.932 -7.384 0.173 495 HE21 GLN 61 HE21 GLN 61 9.148 -9.232 1.128 496 HE22 GLN 61 HE22 GLN 61 9.142 -10.812 0.352 497 H ASP 62 H ASP 62 7.324 -7.512 0.789 498 HA ASP 62 HA ASP 62 5.829 -9.720 -0.301 499 HB2 ASP 62 HB2 ASP 62 6.935 -9.712 1.919 500 HB3 ASP 62 HB3 ASP 62 5.760 -8.521 2.499 501 H LEU 63 H LEU 63 4.833 -6.565 1.019 502 HA LEU 63 HA LEU 63 2.032 -6.889 0.671 503 HB2 LEU 63 HB2 LEU 63 3.167 -5.297 2.151 504 HB3 LEU 63 HB3 LEU 63 3.762 -4.386 0.777 505 HG LEU 63 HG LEU 63 1.813 -3.466 2.100 506 HD11 LEU 63 HD11 LEU 63 1.216 -3.743 -0.861 507 HD12 LEU 63 HD12 LEU 63 2.406 -2.628 -0.150 508 HD13 LEU 63 HD13 LEU 63 0.687 -2.468 0.244 509 HD21 LEU 63 HD21 LEU 63 -0.439 -4.218 1.644 510 HD22 LEU 63 HD22 LEU 63 0.509 -5.563 2.310 511 HD23 LEU 63 HD23 LEU 63 0.146 -5.491 0.568 512 H TRP 64 H TRP 64 4.621 -5.716 -1.542 513 HA TRP 64 HA TRP 64 2.925 -5.021 -3.722 514 HB2 TRP 64 HB2 TRP 64 5.465 -4.631 -3.430 515 HB3 TRP 64 HB3 TRP 64 5.666 -6.249 -4.063 516 HD1 TRP 64 HD1 TRP 64 4.767 -2.721 -5.065 517 HE1 TRP 64 HE1 TRP 64 4.639 -2.515 -7.632 518 HE3 TRP 64 HE3 TRP 64 5.016 -7.684 -6.313 519 HZ2 TRP 64 HZ2 TRP 64 4.926 -4.248 -9.907 520 HZ3 TRP 64 HZ3 TRP 64 5.130 -8.368 -8.689 521 HH2 TRP 64 HH2 TRP 64 5.082 -6.669 -10.497 522 H GLN 65 H GLN 65 4.303 -8.263 -2.841 523 HA GLN 65 HA GLN 65 3.070 -9.590 -5.101 524 HB2 GLN 65 HB2 GLN 65 3.495 -10.956 -2.443 525 HB3 GLN 65 HB3 GLN 65 3.414 -11.653 -4.046 526 HG2 GLN 65 HG2 GLN 65 5.697 -10.286 -2.676 527 HG3 GLN 65 HG3 GLN 65 5.636 -11.850 -3.446 528 HE21 GLN 65 HE21 GLN 65 6.541 -8.594 -3.812 529 HE22 GLN 65 HE22 GLN 65 7.080 -8.699 -5.485 530 H TRP 66 H TRP 66 1.828 -8.670 -1.874 531 HA TRP 66 HA TRP 66 -0.662 -10.077 -2.137 532 HB2 TRP 66 HB2 TRP 66 0.380 -9.187 -0.013 533 HB3 TRP 66 HB3 TRP 66 -0.205 -7.596 -0.474 534 HD1 TRP 66 HD1 TRP 66 -2.680 -7.050 0.088 535 HE1 TRP 66 HE1 TRP 66 -4.622 -8.298 1.246 536 HE3 TRP 66 HE3 TRP 66 -0.676 -11.774 0.159 537 HZ2 TRP 66 HZ2 TRP 66 -5.192 -10.978 2.115 538 HZ3 TRP 66 HZ3 TRP 66 -1.935 -13.648 1.190 539 HH2 TRP 66 HH2 TRP 66 -4.183 -13.260 2.183 540 H ARG 67 H ARG 67 0.224 -6.694 -3.126 541 HA ARG 67 HA ARG 67 -2.457 -6.221 -4.175 542 HB2 ARG 67 HB2 ARG 67 -1.867 -4.188 -4.873 543 HB3 ARG 67 HB3 ARG 67 -0.705 -4.402 -3.574 544 HG2 ARG 67 HG2 ARG 67 1.066 -4.867 -5.217 545 HG3 ARG 67 HG3 ARG 67 -0.086 -4.819 -6.548 546 HD2 ARG 67 HD2 ARG 67 0.628 -2.486 -4.744 547 HD3 ARG 67 HD3 ARG 67 1.285 -2.750 -6.349 548 HE ARG 67 HE ARG 67 -1.159 -1.425 -5.728 549 HH11 ARG 67 HH11 ARG 67 0.128 -3.467 -8.310 550 HH12 ARG 67 HH12 ARG 67 -1.268 -3.110 -9.314 551 HH21 ARG 67 HH21 ARG 67 -2.615 -0.832 -7.157 552 HH22 ARG 67 HH22 ARG 67 -2.653 -1.493 -8.774 553 H LYS 68 H LYS 68 0.447 -7.627 -5.634 554 HA LYS 68 HA LYS 68 -0.901 -8.161 -8.182 555 HB2 LYS 68 HB2 LYS 68 1.713 -8.988 -6.900 556 HB3 LYS 68 HB3 LYS 68 1.119 -9.948 -8.227 557 HG2 LYS 68 HG2 LYS 68 1.809 -7.003 -8.321 558 HG3 LYS 68 HG3 LYS 68 2.665 -8.352 -9.064 559 HD2 LYS 68 HD2 LYS 68 0.004 -7.175 -9.894 560 HD3 LYS 68 HD3 LYS 68 1.500 -7.205 -10.798 561 HE2 LYS 68 HE2 LYS 68 -0.162 -9.679 -10.101 562 HE3 LYS 68 HE3 LYS 68 -0.241 -8.793 -11.622 563 HZ1 LYS 68 HZ1 LYS 68 2.111 -10.303 -10.621 564 HZ2 LYS 68 HZ2 LYS 68 2.165 -9.303 -11.921 565 HZ3 LYS 68 HZ3 LYS 68 1.183 -10.610 -11.950 566 H SER 69 H SER 69 -1.750 -9.316 -5.272 567 HA SER 69 HA SER 69 -2.786 -11.856 -6.472 568 HB2 SER 69 HB2 SER 69 -2.297 -11.256 -3.536 569 HB3 SER 69 HB3 SER 69 -2.919 -12.765 -4.224 570 HG SER 69 HG SER 69 -0.344 -11.597 -4.598 571 H LEU 70 H LEU 70 -3.808 -8.773 -5.873 572 HA LEU 70 HA LEU 70 -6.341 -9.378 -4.506 573 HB2 LEU 70 HB2 LEU 70 -4.769 -7.436 -3.992 574 HB3 LEU 70 HB3 LEU 70 -5.331 -6.689 -5.475 575 HG LEU 70 HG LEU 70 -7.026 -7.435 -3.047 576 HD11 LEU 70 HD11 LEU 70 -6.108 -4.735 -4.118 577 HD12 LEU 70 HD12 LEU 70 -5.475 -5.553 -2.672 578 HD13 LEU 70 HD13 LEU 70 -7.158 -4.994 -2.712 579 HD21 LEU 70 HD21 LEU 70 -8.790 -5.995 -4.097 580 HD22 LEU 70 HD22 LEU 70 -8.501 -7.490 -4.976 581 HD23 LEU 70 HD23 LEU 70 -7.827 -5.958 -5.588 Start of MODEL 16 1 H GLN 1 H1 GLN 1 -36.948 1.347 23.087 2 HA GLN 1 HA GLN 1 -35.332 1.455 24.771 3 HB2 GLN 1 HB2 GLN 1 -36.256 -1.371 25.388 4 HB3 GLN 1 HB3 GLN 1 -34.648 -0.798 25.820 5 HG2 GLN 1 HG2 GLN 1 -35.944 -0.493 27.749 6 HG3 GLN 1 HG3 GLN 1 -35.654 1.106 27.090 7 HE21 GLN 1 HE21 GLN 1 -37.532 1.299 28.790 8 HE22 GLN 1 HE22 GLN 1 -39.166 1.152 28.144 9 H GLU 2 H GLU 2 -33.860 1.913 23.200 10 HA GLU 2 HA GLU 2 -33.134 -0.034 21.165 11 HB2 GLU 2 HB2 GLU 2 -31.670 1.635 20.322 12 HB3 GLU 2 HB3 GLU 2 -33.214 2.362 20.651 13 HG2 GLU 2 HG2 GLU 2 -30.827 2.595 22.564 14 HG3 GLU 2 HG3 GLU 2 -31.057 3.657 21.198 15 H SER 3 H SER 3 -31.908 0.558 24.348 16 HA SER 3 HA SER 3 -29.146 0.392 23.704 17 HB2 SER 3 HB2 SER 3 -30.361 0.048 26.458 18 HB3 SER 3 HB3 SER 3 -28.720 0.585 26.045 19 HG SER 3 HG SER 3 -31.190 1.904 25.758 20 H PHE 4 H PHE 4 -31.190 -2.210 23.747 21 HA PHE 4 HA PHE 4 -28.895 -4.057 23.954 22 HB2 PHE 4 HB2 PHE 4 -30.565 -5.730 25.029 23 HB3 PHE 4 HB3 PHE 4 -29.639 -4.596 25.982 24 HD1 PHE 4 HD2 PHE 4 -33.021 -5.315 24.610 25 HD2 PHE 4 HD1 PHE 4 -30.716 -2.896 27.332 26 HE1 PHE 4 HE2 PHE 4 -35.118 -4.551 25.703 27 HE2 PHE 4 HE1 PHE 4 -32.813 -2.131 28.422 28 HZ PHE 4 HZ PHE 4 -35.015 -2.973 27.622 29 H LYS 5 H LYS 5 -29.183 -6.049 22.917 30 HA LYS 5 HA LYS 5 -30.618 -5.732 20.302 31 HB2 LYS 5 HB2 LYS 5 -28.739 -4.175 20.479 32 HB3 LYS 5 HB3 LYS 5 -27.631 -5.481 20.875 33 HG2 LYS 5 HG2 LYS 5 -27.611 -6.303 18.663 34 HG3 LYS 5 HG3 LYS 5 -29.160 -5.554 18.260 35 HD2 LYS 5 HD2 LYS 5 -27.282 -4.409 17.151 36 HD3 LYS 5 HD3 LYS 5 -28.185 -3.337 18.222 37 HE2 LYS 5 HE2 LYS 5 -26.426 -3.567 19.957 38 HE3 LYS 5 HE3 LYS 5 -25.541 -4.696 18.927 39 HZ1 LYS 5 HZ1 LYS 5 -24.633 -2.482 18.720 40 HZ2 LYS 5 HZ2 LYS 5 -26.080 -1.842 18.243 41 HZ3 LYS 5 HZ3 LYS 5 -25.268 -2.925 17.305 42 H LYS 6 H LYS 6 -29.158 -7.849 22.564 43 HA LYS 6 HA LYS 6 -28.713 -10.037 22.644 44 HB2 LYS 6 HB2 LYS 6 -30.597 -11.428 22.342 45 HB3 LYS 6 HB3 LYS 6 -31.118 -9.852 22.923 46 HG2 LYS 6 HG2 LYS 6 -31.939 -9.249 20.669 47 HG3 LYS 6 HG3 LYS 6 -31.345 -10.794 20.024 48 HD2 LYS 6 HD2 LYS 6 -32.817 -11.985 21.678 49 HD3 LYS 6 HD3 LYS 6 -33.476 -10.414 22.170 50 HE2 LYS 6 HE2 LYS 6 -34.232 -10.045 19.802 51 HE3 LYS 6 HE3 LYS 6 -33.643 -11.662 19.385 52 HZ1 LYS 6 HZ1 LYS 6 -36.020 -11.709 19.919 53 HZ2 LYS 6 HZ2 LYS 6 -35.742 -11.051 21.387 54 HZ3 LYS 6 HZ3 LYS 6 -35.185 -12.549 21.080 55 H GLN 7 H GLN 7 -27.243 -9.014 20.429 56 HA GLN 7 HA GLN 7 -27.425 -11.060 18.331 57 HB2 GLN 7 HB2 GLN 7 -25.623 -9.977 17.241 58 HB3 GLN 7 HB3 GLN 7 -26.779 -8.775 17.764 59 HG2 GLN 7 HG2 GLN 7 -25.139 -7.615 18.756 60 HG3 GLN 7 HG3 GLN 7 -24.840 -8.941 19.868 61 HE21 GLN 7 HE21 GLN 7 -23.843 -7.508 16.752 62 HE22 GLN 7 HE22 GLN 7 -22.264 -8.305 16.755 63 H GLU 8 H GLU 8 -25.977 -12.706 17.909 64 HA GLU 8 HA GLU 8 -23.899 -13.254 20.000 65 HB2 GLU 8 HB2 GLU 8 -25.343 -15.223 18.174 66 HB3 GLU 8 HB3 GLU 8 -24.090 -15.634 19.354 67 HG2 GLU 8 HG2 GLU 8 -25.534 -14.803 21.188 68 HG3 GLU 8 HG3 GLU 8 -26.824 -14.463 20.027 69 H LYS 9 H LYS 9 -24.050 -11.746 17.220 70 HA LYS 9 HA LYS 9 -22.548 -13.488 15.482 71 HB2 LYS 9 HB2 LYS 9 -23.379 -10.611 14.948 72 HB3 LYS 9 HB3 LYS 9 -22.891 -11.840 13.772 73 HG2 LYS 9 HG2 LYS 9 -24.877 -13.248 14.755 74 HG3 LYS 9 HG3 LYS 9 -25.405 -11.727 15.464 75 HD2 LYS 9 HD2 LYS 9 -26.633 -11.996 13.454 76 HD3 LYS 9 HD3 LYS 9 -25.466 -10.712 13.172 77 HE2 LYS 9 HE2 LYS 9 -25.614 -12.164 11.216 78 HE3 LYS 9 HE3 LYS 9 -24.006 -12.307 11.931 79 HZ1 LYS 9 HZ1 LYS 9 -26.219 -14.237 12.430 80 HZ2 LYS 9 HZ2 LYS 9 -24.654 -14.389 12.923 81 HZ3 LYS 9 HZ3 LYS 9 -25.009 -14.487 11.345 82 H THR 10 H THR 10 -21.570 -10.663 17.380 83 HA THR 10 HA THR 10 -18.753 -11.217 16.599 84 HB THR 10 HB THR 10 -18.364 -8.724 16.344 85 HG1 THR 10 HG1 THR 10 -20.165 -7.580 15.609 86 HG21 THR 10 HG21 THR 10 -20.242 -9.734 14.204 87 HG22 THR 10 HG22 THR 10 -18.649 -10.477 14.458 88 HG23 THR 10 HG23 THR 10 -18.749 -8.770 14.064 89 HA PRO 11 HA PRO 11 -19.276 -10.209 21.147 90 HB2 PRO 11 HB2 PRO 11 -18.692 -12.610 22.314 91 HB3 PRO 11 HB3 PRO 11 -20.318 -12.195 21.694 92 HG2 PRO 11 HG2 PRO 11 -18.141 -13.763 20.263 93 HG3 PRO 11 HG3 PRO 11 -19.865 -14.207 20.500 94 HD2 PRO 11 HD2 PRO 11 -19.056 -13.040 18.202 95 HD3 PRO 11 HD3 PRO 11 -20.609 -12.598 18.968 96 H LYS 12 H LYS 12 -16.609 -11.975 19.471 97 HA LYS 12 HA LYS 12 -14.706 -10.281 20.915 98 HB2 LYS 12 HB2 LYS 12 -15.059 -12.308 22.367 99 HB3 LYS 12 HB3 LYS 12 -14.432 -13.313 21.071 100 HG2 LYS 12 HG2 LYS 12 -12.802 -12.752 22.915 101 HG3 LYS 12 HG3 LYS 12 -12.228 -12.389 21.296 102 HD2 LYS 12 HD2 LYS 12 -11.608 -10.638 22.900 103 HD3 LYS 12 HD3 LYS 12 -12.627 -10.006 21.617 104 HE2 LYS 12 HE2 LYS 12 -14.619 -10.326 23.261 105 HE3 LYS 12 HE3 LYS 12 -13.382 -10.608 24.501 106 HZ1 LYS 12 HZ1 LYS 12 -13.795 -8.161 22.892 107 HZ2 LYS 12 HZ2 LYS 12 -12.431 -8.404 23.751 108 HZ3 LYS 12 HZ3 LYS 12 -13.851 -8.275 24.544 109 H THR 13 H THR 13 -14.967 -9.557 18.690 110 HA THR 13 HA THR 13 -12.685 -10.545 17.048 111 HB THR 13 HB THR 13 -14.503 -11.566 15.976 112 HG1 THR 13 HG1 THR 13 -13.321 -10.880 14.418 113 HG21 THR 13 HG21 THR 13 -16.407 -10.428 15.012 114 HG22 THR 13 HG22 THR 13 -15.968 -8.903 15.786 115 HG23 THR 13 HG23 THR 13 -16.438 -10.303 16.778 116 HA PRO 14 HA PRO 14 -12.420 -5.997 17.622 117 HB2 PRO 14 HB2 PRO 14 -9.806 -5.770 18.310 118 HB3 PRO 14 HB3 PRO 14 -11.069 -6.261 19.482 119 HG2 PRO 14 HG2 PRO 14 -9.188 -8.040 17.910 120 HG3 PRO 14 HG3 PRO 14 -9.555 -8.103 19.663 121 HD2 PRO 14 HD2 PRO 14 -10.785 -9.730 17.824 122 HD3 PRO 14 HD3 PRO 14 -11.630 -9.141 19.287 123 H LYS 15 H LYS 15 -11.944 -4.633 15.969 124 HA LYS 15 HA LYS 15 -10.505 -5.673 13.558 125 HB2 LYS 15 HB2 LYS 15 -12.567 -3.470 13.929 126 HB3 LYS 15 HB3 LYS 15 -11.654 -3.694 12.447 127 HG2 LYS 15 HG2 LYS 15 -13.793 -4.682 12.144 128 HG3 LYS 15 HG3 LYS 15 -12.589 -5.971 12.166 129 HD2 LYS 15 HD2 LYS 15 -13.245 -6.612 14.416 130 HD3 LYS 15 HD3 LYS 15 -14.277 -5.184 14.576 131 HE2 LYS 15 HE2 LYS 15 -15.783 -6.902 14.213 132 HE3 LYS 15 HE3 LYS 15 -15.632 -6.167 12.610 133 HZ1 LYS 15 HZ1 LYS 15 -14.074 -7.962 12.033 134 HZ2 LYS 15 HZ2 LYS 15 -15.487 -8.609 12.514 135 HZ3 LYS 15 HZ3 LYS 15 -14.181 -8.615 13.522 136 H GLY 16 H GLY 16 -9.186 -4.199 12.306 137 HA2 GLY 16 HA2 GLY 16 -7.461 -2.599 12.073 138 HA3 GLY 16 HA3 GLY 16 -7.723 -2.076 13.730 139 HA PRO 17 HA PRO 17 -5.347 -6.421 14.046 140 HB2 PRO 17 HB2 PRO 17 -3.916 -6.144 11.393 141 HB3 PRO 17 HB3 PRO 17 -4.305 -7.634 12.296 142 HG2 PRO 17 HG2 PRO 17 -5.889 -6.804 10.254 143 HG3 PRO 17 HG3 PRO 17 -6.604 -7.474 11.751 144 HD2 PRO 17 HD2 PRO 17 -6.464 -4.626 10.851 145 HD3 PRO 17 HD3 PRO 17 -7.684 -5.476 11.824 146 H SER 18 H SER 18 -3.133 -7.062 14.535 147 HA SER 18 HA SER 18 -1.458 -4.842 15.407 148 HB2 SER 18 HB2 SER 18 -0.212 -6.624 16.569 149 HB3 SER 18 HB3 SER 18 -1.952 -6.731 16.852 150 HG SER 18 HG SER 18 -1.272 -8.745 16.399 151 H SER 19 H SER 19 -1.463 -6.299 12.423 152 HA SER 19 HA SER 19 1.299 -5.514 11.866 153 HB2 SER 19 HB2 SER 19 1.348 -7.916 12.754 154 HB3 SER 19 HB3 SER 19 0.553 -8.390 11.247 155 HG SER 19 HG SER 19 3.010 -8.313 11.481 156 H VAL 20 H VAL 20 1.313 -7.007 9.305 157 HA VAL 20 HA VAL 20 0.570 -4.782 7.796 158 HB VAL 20 HB VAL 20 0.853 -7.454 6.434 159 HG11 VAL 20 HG11 VAL 20 0.605 -5.340 5.081 160 HG12 VAL 20 HG12 VAL 20 2.052 -4.704 5.869 161 HG13 VAL 20 HG13 VAL 20 2.160 -6.138 4.824 162 HG21 VAL 20 HG21 VAL 20 3.145 -5.960 7.780 163 HG22 VAL 20 HG22 VAL 20 2.605 -7.625 8.120 164 HG23 VAL 20 HG23 VAL 20 3.331 -7.248 6.569 165 H GLU 21 H GLU 21 -1.491 -7.531 8.526 166 HA GLU 21 HA GLU 21 -3.535 -7.201 6.550 167 HB2 GLU 21 HB2 GLU 21 -3.718 -7.966 9.482 168 HB3 GLU 21 HB3 GLU 21 -5.069 -8.069 8.347 169 HG2 GLU 21 HG2 GLU 21 -3.920 -9.672 6.957 170 HG3 GLU 21 HG3 GLU 21 -2.447 -9.521 7.901 171 H ASP 22 H ASP 22 -2.755 -5.136 9.363 172 HA ASP 22 HA ASP 22 -5.299 -3.814 9.420 173 HB2 ASP 22 HB2 ASP 22 -3.813 -3.824 11.317 174 HB3 ASP 22 HB3 ASP 22 -2.584 -2.926 10.440 175 H ILE 23 H ILE 23 -2.177 -2.594 8.039 176 HA ILE 23 HA ILE 23 -3.449 -0.400 6.730 177 HB ILE 23 HB ILE 23 -1.040 -0.497 7.162 178 HG12 ILE 23 HG12 ILE 23 -1.797 -0.104 4.238 179 HG13 ILE 23 HG13 ILE 23 -2.018 1.067 5.542 180 HG21 ILE 23 HG21 ILE 23 0.521 -1.745 5.797 181 HG22 ILE 23 HG22 ILE 23 -0.604 -2.879 6.518 182 HG23 ILE 23 HG23 ILE 23 -0.783 -2.418 4.805 183 HD11 ILE 23 HD11 ILE 23 0.616 0.062 4.403 184 HD12 ILE 23 HD12 ILE 23 -0.066 1.677 4.281 185 HD13 ILE 23 HD13 ILE 23 0.489 1.073 5.863 186 H LYS 24 H LYS 24 -2.884 -3.775 5.611 187 HA LYS 24 HA LYS 24 -3.781 -3.248 2.923 188 HB2 LYS 24 HB2 LYS 24 -3.624 -5.822 4.540 189 HB3 LYS 24 HB3 LYS 24 -4.104 -5.770 2.836 190 HG2 LYS 24 HG2 LYS 24 -2.014 -4.619 2.240 191 HG3 LYS 24 HG3 LYS 24 -1.480 -4.683 3.921 192 HD2 LYS 24 HD2 LYS 24 -1.962 -7.064 2.091 193 HD3 LYS 24 HD3 LYS 24 -0.383 -6.394 2.516 194 HE2 LYS 24 HE2 LYS 24 -0.644 -7.006 4.846 195 HE3 LYS 24 HE3 LYS 24 -2.329 -7.481 4.581 196 HZ1 LYS 24 HZ1 LYS 24 -0.007 -8.849 3.326 197 HZ2 LYS 24 HZ2 LYS 24 -1.621 -9.228 3.163 198 HZ3 LYS 24 HZ3 LYS 24 -0.878 -9.401 4.614 199 H ALA 25 H ALA 25 -5.642 -4.357 5.764 200 HA ALA 25 HA ALA 25 -8.144 -4.490 4.361 201 HB1 ALA 25 HB1 ALA 25 -7.604 -5.780 6.365 202 HB2 ALA 25 HB2 ALA 25 -7.490 -4.291 7.321 203 HB3 ALA 25 HB3 ALA 25 -9.054 -4.783 6.624 204 H LYS 26 H LYS 26 -6.631 -1.874 6.339 205 HA LYS 26 HA LYS 26 -8.807 0.020 6.140 206 HB2 LYS 26 HB2 LYS 26 -5.817 0.238 6.571 207 HB3 LYS 26 HB3 LYS 26 -6.839 1.688 6.429 208 HG2 LYS 26 HG2 LYS 26 -8.103 1.056 8.418 209 HG3 LYS 26 HG3 LYS 26 -7.397 -0.530 8.390 210 HD2 LYS 26 HD2 LYS 26 -6.441 0.870 10.149 211 HD3 LYS 26 HD3 LYS 26 -5.226 0.286 9.006 212 HE2 LYS 26 HE2 LYS 26 -5.083 2.462 7.936 213 HE3 LYS 26 HE3 LYS 26 -6.458 3.066 8.871 214 HZ1 LYS 26 HZ1 LYS 26 -4.249 3.733 9.808 215 HZ2 LYS 26 HZ2 LYS 26 -3.912 2.164 10.106 216 HZ3 LYS 26 HZ3 LYS 26 -5.161 2.906 10.873 217 H MET 27 H MET 27 -6.029 -0.623 3.955 218 HA MET 27 HA MET 27 -6.940 1.191 1.904 219 HB2 MET 27 HB2 MET 27 -5.016 -1.156 1.873 220 HB3 MET 27 HB3 MET 27 -5.380 -0.187 0.439 221 HG2 MET 27 HG2 MET 27 -4.634 1.845 1.521 222 HG3 MET 27 HG3 MET 27 -4.347 0.995 3.041 223 HE1 MET 27 HE1 MET 27 -0.793 2.085 1.700 224 HE2 MET 27 HE2 MET 27 -2.310 2.929 1.316 225 HE3 MET 27 HE3 MET 27 -2.025 2.321 2.960 226 H GLN 28 H GLN 28 -8.088 -2.086 2.697 227 HA GLN 28 HA GLN 28 -9.433 -2.369 0.109 228 HB2 GLN 28 HB2 GLN 28 -10.126 -3.779 2.713 229 HB3 GLN 28 HB3 GLN 28 -10.819 -4.078 1.132 230 HG2 GLN 28 HG2 GLN 28 -8.111 -4.848 2.153 231 HG3 GLN 28 HG3 GLN 28 -9.329 -5.824 1.369 232 HE21 GLN 28 HE21 GLN 28 -6.705 -3.543 0.873 233 HE22 GLN 28 HE22 GLN 28 -6.625 -3.754 -0.894 234 H ALA 29 H ALA 29 -10.467 -1.262 3.400 235 HA ALA 29 HA ALA 29 -13.075 -0.454 2.704 236 HB1 ALA 29 HB1 ALA 29 -12.923 1.058 4.604 237 HB2 ALA 29 HB2 ALA 29 -12.094 -0.458 5.008 238 HB3 ALA 29 HB3 ALA 29 -11.152 0.986 4.590 239 H SER 30 H SER 30 -10.008 1.438 2.332 240 HA SER 30 HA SER 30 -11.181 3.619 0.933 241 HB2 SER 30 HB2 SER 30 -8.382 2.467 0.702 242 HB3 SER 30 HB3 SER 30 -8.921 4.003 -0.001 243 HG SER 30 HG SER 30 -8.409 4.786 1.844 244 H ILE 31 H ILE 31 -9.804 0.554 -0.578 245 HA ILE 31 HA ILE 31 -10.232 1.647 -3.163 246 HB ILE 31 HB ILE 31 -8.645 -0.238 -2.492 247 HG12 ILE 31 HG12 ILE 31 -10.201 -0.459 -5.109 248 HG13 ILE 31 HG13 ILE 31 -8.942 0.727 -4.765 249 HG21 ILE 31 HG21 ILE 31 -10.510 -1.807 -1.682 250 HG22 ILE 31 HG22 ILE 31 -10.926 -2.055 -3.378 251 HG23 ILE 31 HG23 ILE 31 -9.322 -2.513 -2.777 252 HD11 ILE 31 HD11 ILE 31 -7.973 -1.052 -6.059 253 HD12 ILE 31 HD12 ILE 31 -7.305 -1.139 -4.418 254 HD13 ILE 31 HD13 ILE 31 -8.565 -2.286 -4.942 255 H GLU 32 H GLU 32 -12.485 -0.252 -1.180 256 HA GLU 32 HA GLU 32 -14.468 -0.082 -3.397 257 HB2 GLU 32 HB2 GLU 32 -15.963 -1.438 -1.890 258 HB3 GLU 32 HB3 GLU 32 -14.568 -2.192 -2.641 259 HG2 GLU 32 HG2 GLU 32 -13.324 -2.137 -0.598 260 HG3 GLU 32 HG3 GLU 32 -14.618 -1.259 0.254 261 H LYS 33 H LYS 33 -13.599 2.085 -0.997 262 HA LYS 33 HA LYS 33 -16.298 3.402 -1.299 263 HB2 LYS 33 HB2 LYS 33 -14.353 3.697 1.006 264 HB3 LYS 33 HB3 LYS 33 -15.859 4.588 0.805 265 HG2 LYS 33 HG2 LYS 33 -17.183 2.550 0.878 266 HG3 LYS 33 HG3 LYS 33 -15.732 1.545 0.992 267 HD2 LYS 33 HD2 LYS 33 -15.133 2.573 3.136 268 HD3 LYS 33 HD3 LYS 33 -16.579 3.599 3.085 269 HE2 LYS 33 HE2 LYS 33 -16.663 0.550 2.931 270 HE3 LYS 33 HE3 LYS 33 -16.719 1.429 4.464 271 HZ1 LYS 33 HZ1 LYS 33 -18.939 0.915 3.680 272 HZ2 LYS 33 HZ2 LYS 33 -18.720 1.748 2.283 273 HZ3 LYS 33 HZ3 LYS 33 -18.738 2.519 3.746 274 H GLY 34 H GLY 34 -13.083 3.753 -2.293 275 HA2 GLY 34 HA2 GLY 34 -13.687 6.208 -3.697 276 HA3 GLY 34 HA3 GLY 34 -12.696 6.515 -2.269 277 H GLY 35 H GLY 35 -12.010 3.465 -3.874 278 HA2 GLY 35 HA2 GLY 35 -10.264 2.820 -5.258 279 HA3 GLY 35 HA3 GLY 35 -10.013 4.496 -5.732 280 H SER 36 H SER 36 -7.799 2.905 -5.388 281 HA SER 36 HA SER 36 -6.431 4.212 -3.182 282 HB2 SER 36 HB2 SER 36 -7.541 2.339 -1.985 283 HB3 SER 36 HB3 SER 36 -6.732 1.186 -3.059 284 HG SER 36 HG SER 36 -5.331 3.081 -1.438 285 H LEU 37 H LEU 37 -4.324 4.190 -3.222 286 HA LEU 37 HA LEU 37 -2.239 4.168 -3.852 287 HB2 LEU 37 HB2 LEU 37 -3.021 1.348 -4.539 288 HB3 LEU 37 HB3 LEU 37 -1.362 1.873 -4.721 289 HG LEU 37 HG LEU 37 -2.764 2.378 -2.080 290 HD11 LEU 37 HD11 LEU 37 -1.462 -0.222 -2.965 291 HD12 LEU 37 HD12 LEU 37 -3.171 0.027 -2.512 292 HD13 LEU 37 HD13 LEU 37 -1.898 0.193 -1.293 293 HD21 LEU 37 HD21 LEU 37 -0.501 3.340 -2.579 294 HD22 LEU 37 HD22 LEU 37 0.126 1.698 -2.784 295 HD23 LEU 37 HD23 LEU 37 -0.504 2.215 -1.206 296 HA PRO 38 HA PRO 38 -1.138 4.929 -8.209 297 HB2 PRO 38 HB2 PRO 38 1.603 4.231 -7.182 298 HB3 PRO 38 HB3 PRO 38 1.090 5.652 -8.138 299 HG2 PRO 38 HG2 PRO 38 1.645 5.913 -5.507 300 HG3 PRO 38 HG3 PRO 38 0.214 6.740 -6.209 301 HD2 PRO 38 HD2 PRO 38 0.302 4.079 -4.741 302 HD3 PRO 38 HD3 PRO 38 -0.764 5.495 -4.461 303 H LYS 39 H LYS 39 0.462 3.631 -9.764 304 HA LYS 39 HA LYS 39 0.516 0.705 -9.136 305 HB2 LYS 39 HB2 LYS 39 -0.217 0.168 -11.398 306 HB3 LYS 39 HB3 LYS 39 -1.441 1.044 -10.479 307 HG2 LYS 39 HG2 LYS 39 -0.879 3.137 -11.673 308 HG3 LYS 39 HG3 LYS 39 0.393 2.295 -12.587 309 HD2 LYS 39 HD2 LYS 39 -1.243 0.847 -13.648 310 HD3 LYS 39 HD3 LYS 39 -2.526 1.442 -12.577 311 HE2 LYS 39 HE2 LYS 39 -2.180 3.748 -13.522 312 HE3 LYS 39 HE3 LYS 39 -1.044 3.056 -14.699 313 HZ1 LYS 39 HZ1 LYS 39 -3.311 3.215 -15.601 314 HZ2 LYS 39 HZ2 LYS 39 -3.889 2.308 -14.364 315 HZ3 LYS 39 HZ3 LYS 39 -2.853 1.640 -15.488 316 H VAL 40 H VAL 40 2.297 3.389 -10.454 317 HA VAL 40 HA VAL 40 4.373 1.516 -11.439 318 HB VAL 40 HB VAL 40 3.821 3.632 -12.658 319 HG11 VAL 40 HG11 VAL 40 3.794 5.198 -10.710 320 HG12 VAL 40 HG12 VAL 40 5.550 4.964 -10.536 321 HG13 VAL 40 HG13 VAL 40 4.891 5.700 -12.006 322 HG21 VAL 40 HG21 VAL 40 6.734 3.235 -11.872 323 HG22 VAL 40 HG22 VAL 40 5.838 2.257 -13.059 324 HG23 VAL 40 HG23 VAL 40 6.098 3.974 -13.356 325 H GLU 41 H GLU 41 6.221 1.003 -10.445 326 HA GLU 41 HA GLU 41 5.944 0.595 -7.748 327 HB2 GLU 41 HB2 GLU 41 8.123 -0.440 -7.780 328 HB3 GLU 41 HB3 GLU 41 7.243 -0.793 -9.255 329 HG2 GLU 41 HG2 GLU 41 8.606 1.227 -10.277 330 HG3 GLU 41 HG3 GLU 41 9.650 1.014 -8.876 331 H ALA 42 H ALA 42 8.185 3.098 -9.085 332 HA ALA 42 HA ALA 42 9.216 3.785 -6.520 333 HB1 ALA 42 HB1 ALA 42 10.384 4.230 -8.612 334 HB2 ALA 42 HB2 ALA 42 9.125 5.397 -9.099 335 HB3 ALA 42 HB3 ALA 42 10.160 5.731 -7.698 336 H LYS 43 H LYS 43 6.381 5.066 -8.265 337 HA LYS 43 HA LYS 43 5.832 7.204 -6.333 338 HB2 LYS 43 HB2 LYS 43 3.991 5.889 -8.387 339 HB3 LYS 43 HB3 LYS 43 3.589 7.285 -7.375 340 HG2 LYS 43 HG2 LYS 43 5.636 8.438 -8.330 341 HG3 LYS 43 HG3 LYS 43 5.726 7.130 -9.517 342 HD2 LYS 43 HD2 LYS 43 3.375 7.742 -10.257 343 HD3 LYS 43 HD3 LYS 43 3.421 9.099 -9.112 344 HE2 LYS 43 HE2 LYS 43 5.566 9.864 -10.311 345 HE3 LYS 43 HE3 LYS 43 5.210 8.633 -11.535 346 HZ1 LYS 43 HZ1 LYS 43 3.659 11.080 -10.920 347 HZ2 LYS 43 HZ2 LYS 43 2.971 9.832 -11.733 348 HZ3 LYS 43 HZ3 LYS 43 4.292 10.579 -12.356 349 H PHE 44 H PHE 44 4.744 3.845 -6.787 350 HA PHE 44 HA PHE 44 2.859 3.784 -4.696 351 HB2 PHE 44 HB2 PHE 44 3.251 2.111 -6.552 352 HB3 PHE 44 HB3 PHE 44 4.658 1.525 -5.694 353 HD1 PHE 44 HD1 PHE 44 4.229 0.625 -3.211 354 HD2 PHE 44 HD2 PHE 44 1.236 1.007 -6.289 355 HE1 PHE 44 HE1 PHE 44 2.838 -1.076 -2.074 356 HE2 PHE 44 HE2 PHE 44 -0.149 -0.701 -5.164 357 HZ PHE 44 HZ PHE 44 0.637 -1.739 -3.039 358 H ILE 45 H ILE 45 6.348 2.950 -4.636 359 HA ILE 45 HA ILE 45 6.551 2.395 -1.837 360 HB ILE 45 HB ILE 45 8.589 3.236 -3.927 361 HG12 ILE 45 HG12 ILE 45 8.223 0.491 -2.651 362 HG13 ILE 45 HG13 ILE 45 7.281 0.956 -4.054 363 HG21 ILE 45 HG21 ILE 45 9.070 2.247 -1.077 364 HG22 ILE 45 HG22 ILE 45 10.323 2.356 -2.330 365 HG23 ILE 45 HG23 ILE 45 9.544 3.820 -1.762 366 HD11 ILE 45 HD11 ILE 45 10.316 0.808 -3.968 367 HD12 ILE 45 HD12 ILE 45 9.203 -0.297 -4.793 368 HD13 ILE 45 HD13 ILE 45 9.361 1.380 -5.350 369 H ASN 46 H ASN 46 7.186 5.470 -3.628 370 HA ASN 46 HA ASN 46 7.810 7.112 -1.394 371 HB2 ASN 46 HB2 ASN 46 8.175 8.046 -3.530 372 HB3 ASN 46 HB3 ASN 46 6.602 7.556 -4.137 373 HD21 ASN 46 HD21 ASN 46 4.792 8.863 -3.814 374 HD22 ASN 46 HD22 ASN 46 4.924 10.487 -3.184 375 H TYR 47 H TYR 47 4.574 6.347 -2.768 376 HA TYR 47 HA TYR 47 3.045 7.984 -1.023 377 HB2 TYR 47 HB2 TYR 47 2.337 7.075 -3.176 378 HB3 TYR 47 HB3 TYR 47 2.341 5.443 -2.530 379 HD1 TYR 47 HD1 TYR 47 0.591 8.675 -2.630 380 HD2 TYR 47 HD2 TYR 47 0.555 4.683 -1.003 381 HE1 TYR 47 HE1 TYR 47 -1.799 8.948 -2.027 382 HE2 TYR 47 HE2 TYR 47 -1.872 4.931 -0.462 383 HH TYR 47 HH TYR 47 -3.586 8.029 -0.990 384 H VAL 48 H VAL 48 3.796 4.468 -0.784 385 HA VAL 48 HA VAL 48 2.509 4.050 1.727 386 HB VAL 48 HB VAL 48 4.727 2.562 0.278 387 HG11 VAL 48 HG11 VAL 48 3.357 1.757 2.877 388 HG12 VAL 48 HG12 VAL 48 4.315 0.664 1.864 389 HG13 VAL 48 HG13 VAL 48 5.097 2.032 2.642 390 HG21 VAL 48 HG21 VAL 48 1.809 1.857 0.878 391 HG22 VAL 48 HG22 VAL 48 2.411 2.475 -0.679 392 HG23 VAL 48 HG23 VAL 48 2.947 0.899 -0.088 393 H LYS 49 H LYS 49 5.994 4.830 1.101 394 HA LYS 49 HA LYS 49 6.695 4.837 3.898 395 HB2 LYS 49 HB2 LYS 49 7.955 6.119 1.449 396 HB3 LYS 49 HB3 LYS 49 8.647 6.253 3.072 397 HG2 LYS 49 HG2 LYS 49 8.967 3.872 3.259 398 HG3 LYS 49 HG3 LYS 49 8.022 3.560 1.796 399 HD2 LYS 49 HD2 LYS 49 10.384 3.335 1.289 400 HD3 LYS 49 HD3 LYS 49 9.693 4.719 0.428 401 HE2 LYS 49 HE2 LYS 49 10.604 6.206 2.288 402 HE3 LYS 49 HE3 LYS 49 11.467 4.790 2.913 403 HZ1 LYS 49 HZ1 LYS 49 12.632 4.655 0.763 404 HZ2 LYS 49 HZ2 LYS 49 12.816 6.159 1.372 405 HZ3 LYS 49 HZ3 LYS 49 11.741 5.876 0.163 406 H ASN 50 H ASN 50 5.982 7.641 1.741 407 HA ASN 50 HA ASN 50 6.323 9.413 3.959 408 HB2 ASN 50 HB2 ASN 50 6.424 11.065 2.473 409 HB3 ASN 50 HB3 ASN 50 6.640 9.757 1.319 410 HD21 ASN 50 HD21 ASN 50 4.426 8.932 0.384 411 HD22 ASN 50 HD22 ASN 50 3.226 10.192 0.038 412 H CYS 51 H CYS 51 3.409 7.808 2.904 413 HA CYS 51 HA CYS 51 1.826 9.672 4.628 414 HB2 CYS 51 HB2 CYS 51 1.342 9.377 2.114 415 HB3 CYS 51 HB3 CYS 51 0.712 7.782 2.543 416 HG CYS 51 HG CYS 51 -0.280 10.832 3.170 417 H PHE 52 H PHE 52 2.660 6.233 4.235 418 HA PHE 52 HA PHE 52 0.992 5.590 6.633 419 HB2 PHE 52 HB2 PHE 52 1.731 3.809 4.296 420 HB3 PHE 52 HB3 PHE 52 0.835 3.342 5.731 421 HD1 PHE 52 HD2 PHE 52 0.685 5.440 2.652 422 HD2 PHE 52 HD1 PHE 52 -1.497 3.874 6.024 423 HE1 PHE 52 HE2 PHE 52 -1.438 6.278 1.678 424 HE2 PHE 52 HE1 PHE 52 -3.624 4.661 5.012 425 HZ PHE 52 HZ PHE 52 -3.596 5.868 2.841 426 H ARG 53 H ARG 53 4.210 5.931 5.770 427 HA ARG 53 HA ARG 53 6.114 5.634 6.927 428 HB2 ARG 53 HB2 ARG 53 4.078 5.779 9.174 429 HB3 ARG 53 HB3 ARG 53 5.808 5.946 9.448 430 HG2 ARG 53 HG2 ARG 53 4.274 7.753 7.538 431 HG3 ARG 53 HG3 ARG 53 4.546 8.126 9.240 432 HD2 ARG 53 HD2 ARG 53 6.928 8.191 8.977 433 HD3 ARG 53 HD3 ARG 53 6.833 7.514 7.348 434 HE ARG 53 HE ARG 53 5.362 10.029 7.623 435 HH11 ARG 53 HH11 ARG 53 8.524 8.713 6.899 436 HH12 ARG 53 HH12 ARG 53 8.719 9.790 5.541 437 HH21 ARG 53 HH21 ARG 53 5.786 11.481 6.135 438 HH22 ARG 53 HH22 ARG 53 7.351 11.546 5.319 439 H MET 54 H MET 54 4.967 3.033 6.137 440 HA MET 54 HA MET 54 6.496 1.278 7.981 441 HB2 MET 54 HB2 MET 54 5.936 -0.534 6.392 442 HB3 MET 54 HB3 MET 54 4.541 0.213 7.173 443 HG2 MET 54 HG2 MET 54 4.272 1.558 5.026 444 HG3 MET 54 HG3 MET 54 5.509 0.503 4.334 445 HE1 MET 54 HE1 MET 54 5.163 -2.274 4.417 446 HE2 MET 54 HE2 MET 54 4.413 -2.344 6.030 447 HE3 MET 54 HE3 MET 54 3.572 -3.032 4.625 448 H THR 55 H THR 55 8.402 0.337 7.489 449 HA THR 55 HA THR 55 9.899 1.182 5.040 450 HB THR 55 HB THR 55 11.925 1.526 6.353 451 HG1 THR 55 HG1 THR 55 10.163 1.276 8.581 452 HG21 THR 55 HG21 THR 55 9.704 3.327 7.375 453 HG22 THR 55 HG22 THR 55 10.431 3.440 5.758 454 HG23 THR 55 HG23 THR 55 11.437 3.700 7.187 455 H ASP 56 H ASP 56 8.924 -1.425 6.978 456 HA ASP 56 HA ASP 56 11.129 -3.242 6.519 457 HB2 ASP 56 HB2 ASP 56 8.169 -3.568 7.157 458 HB3 ASP 56 HB3 ASP 56 9.201 -4.956 6.816 459 H GLN 57 H GLN 57 11.867 -3.485 4.447 460 HA GLN 57 HA GLN 57 10.316 -3.304 2.130 461 HB2 GLN 57 HB2 GLN 57 12.969 -4.613 2.743 462 HB3 GLN 57 HB3 GLN 57 12.220 -4.884 1.169 463 HG2 GLN 57 HG2 GLN 57 12.825 -2.144 2.329 464 HG3 GLN 57 HG3 GLN 57 13.821 -2.998 1.143 465 HE21 GLN 57 HE21 GLN 57 11.171 -0.833 1.491 466 HE22 GLN 57 HE22 GLN 57 10.412 -1.093 -0.083 467 H GLU 58 H GLU 58 10.880 -6.300 4.025 468 HA GLU 58 HA GLU 58 9.574 -8.055 2.258 469 HB2 GLU 58 HB2 GLU 58 9.200 -9.523 4.173 470 HB3 GLU 58 HB3 GLU 58 10.824 -8.844 4.156 471 HG2 GLU 58 HG2 GLU 58 10.155 -7.193 5.903 472 HG3 GLU 58 HG3 GLU 58 8.549 -7.926 5.955 473 H ALA 59 H ALA 59 8.026 -5.744 4.498 474 HA ALA 59 HA ALA 59 5.344 -6.889 3.964 475 HB1 ALA 59 HB1 ALA 59 4.548 -5.193 5.508 476 HB2 ALA 59 HB2 ALA 59 5.836 -6.173 6.245 477 HB3 ALA 59 HB3 ALA 59 6.188 -4.522 5.670 478 H ILE 60 H ILE 60 7.290 -4.009 3.110 479 HA ILE 60 HA ILE 60 5.292 -2.602 1.602 480 HB ILE 60 HB ILE 60 8.300 -2.710 1.397 481 HG12 ILE 60 HG12 ILE 60 6.452 -0.497 2.414 482 HG13 ILE 60 HG13 ILE 60 7.107 -1.736 3.475 483 HG21 ILE 60 HG21 ILE 60 8.105 -0.637 -0.018 484 HG22 ILE 60 HG22 ILE 60 7.458 -2.051 -0.824 485 HG23 ILE 60 HG23 ILE 60 6.349 -0.877 -0.082 486 HD11 ILE 60 HD11 ILE 60 8.783 0.239 1.893 487 HD12 ILE 60 HD12 ILE 60 8.463 0.231 3.629 488 HD13 ILE 60 HD13 ILE 60 9.398 -1.094 2.909 489 H GLN 61 H GLN 61 7.675 -5.106 0.566 490 HA GLN 61 HA GLN 61 6.500 -5.270 -2.050 491 HB2 GLN 61 HB2 GLN 61 8.041 -6.969 -2.546 492 HB3 GLN 61 HB3 GLN 61 8.857 -5.780 -1.544 493 HG2 GLN 61 HG2 GLN 61 9.616 -7.770 -0.635 494 HG3 GLN 61 HG3 GLN 61 8.305 -7.339 0.447 495 HE21 GLN 61 HE21 GLN 61 7.215 -9.163 1.076 496 HE22 GLN 61 HE22 GLN 61 6.894 -10.533 0.021 497 H ASP 62 H ASP 62 5.708 -7.032 0.994 498 HA ASP 62 HA ASP 62 4.025 -8.970 -0.351 499 HB2 ASP 62 HB2 ASP 62 4.747 -9.307 1.965 500 HB3 ASP 62 HB3 ASP 62 3.848 -7.879 2.483 501 H LEU 63 H LEU 63 3.369 -5.725 1.026 502 HA LEU 63 HA LEU 63 0.603 -5.611 0.510 503 HB2 LEU 63 HB2 LEU 63 2.050 -4.164 1.964 504 HB3 LEU 63 HB3 LEU 63 2.602 -3.307 0.534 505 HG LEU 63 HG LEU 63 -0.291 -3.471 1.482 506 HD11 LEU 63 HD11 LEU 63 1.744 -1.234 1.829 507 HD12 LEU 63 HD12 LEU 63 1.158 -2.312 3.111 508 HD13 LEU 63 HD13 LEU 63 0.038 -1.189 2.326 509 HD21 LEU 63 HD21 LEU 63 1.017 -1.644 -0.571 510 HD22 LEU 63 HD22 LEU 63 -0.617 -1.432 0.077 511 HD23 LEU 63 HD23 LEU 63 -0.252 -2.857 -0.885 512 H TRP 64 H TRP 64 3.359 -4.459 -1.442 513 HA TRP 64 HA TRP 64 2.015 -3.537 -3.753 514 HB2 TRP 64 HB2 TRP 64 4.324 -3.035 -3.120 515 HB3 TRP 64 HB3 TRP 64 4.768 -4.722 -3.318 516 HD1 TRP 64 HD1 TRP 64 2.811 -2.647 -5.925 517 HE1 TRP 64 HE1 TRP 64 4.171 -2.549 -8.083 518 HE3 TRP 64 HE3 TRP 64 7.115 -4.886 -4.263 519 HZ2 TRP 64 HZ2 TRP 64 6.783 -3.413 -9.008 520 HZ3 TRP 64 HZ3 TRP 64 9.012 -5.267 -5.820 521 HH2 TRP 64 HH2 TRP 64 8.852 -4.541 -8.192 522 H GLN 65 H GLN 65 3.437 -6.816 -3.205 523 HA GLN 65 HA GLN 65 2.528 -7.936 -5.681 524 HB2 GLN 65 HB2 GLN 65 3.594 -8.948 -3.064 525 HB3 GLN 65 HB3 GLN 65 2.688 -10.084 -3.996 526 HG2 GLN 65 HG2 GLN 65 5.213 -10.044 -4.392 527 HG3 GLN 65 HG3 GLN 65 4.157 -10.088 -5.801 528 HE21 GLN 65 HE21 GLN 65 5.756 -7.541 -3.761 529 HE22 GLN 65 HE22 GLN 65 6.258 -6.616 -5.191 530 H TRP 66 H TRP 66 0.865 -7.688 -2.506 531 HA TRP 66 HA TRP 66 -1.379 -9.252 -3.376 532 HB2 TRP 66 HB2 TRP 66 -0.552 -8.265 -0.966 533 HB3 TRP 66 HB3 TRP 66 -1.884 -7.189 -1.304 534 HD1 TRP 66 HD1 TRP 66 -4.012 -9.127 -2.476 535 HE1 TRP 66 HE1 TRP 66 -5.077 -10.978 -1.095 536 HE3 TRP 66 HE3 TRP 66 -0.280 -9.758 0.971 537 HZ2 TRP 66 HZ2 TRP 66 -4.377 -12.583 1.221 538 HZ3 TRP 66 HZ3 TRP 66 -0.503 -11.493 2.751 539 HH2 TRP 66 HH2 TRP 66 -2.548 -12.883 2.891 540 H ARG 67 H ARG 67 -0.599 -5.814 -3.842 541 HA ARG 67 HA ARG 67 -3.275 -5.305 -5.051 542 HB2 ARG 67 HB2 ARG 67 -0.941 -3.591 -4.293 543 HB3 ARG 67 HB3 ARG 67 -2.016 -3.040 -5.576 544 HG2 ARG 67 HG2 ARG 67 -2.693 -2.169 -3.409 545 HG3 ARG 67 HG3 ARG 67 -3.962 -3.119 -4.150 546 HD2 ARG 67 HD2 ARG 67 -2.119 -4.293 -2.031 547 HD3 ARG 67 HD3 ARG 67 -3.531 -3.316 -1.610 548 HE ARG 67 HE ARG 67 -4.188 -5.518 -3.416 549 HH11 ARG 67 HH11 ARG 67 -3.686 -4.869 -0.007 550 HH12 ARG 67 HH12 ARG 67 -4.714 -6.230 0.440 551 HH21 ARG 67 HH21 ARG 67 -5.480 -7.239 -2.703 552 HH22 ARG 67 HH22 ARG 67 -5.799 -7.354 -1.017 553 H LYS 68 H LYS 68 -0.136 -6.180 -6.231 554 HA LYS 68 HA LYS 68 -1.048 -6.242 -9.029 555 HB2 LYS 68 HB2 LYS 68 1.259 -7.539 -7.542 556 HB3 LYS 68 HB3 LYS 68 0.966 -7.739 -9.276 557 HG2 LYS 68 HG2 LYS 68 1.306 -5.410 -9.718 558 HG3 LYS 68 HG3 LYS 68 1.283 -4.994 -8.007 559 HD2 LYS 68 HD2 LYS 68 3.517 -4.889 -8.878 560 HD3 LYS 68 HD3 LYS 68 3.414 -6.112 -7.621 561 HE2 LYS 68 HE2 LYS 68 3.241 -6.785 -10.589 562 HE3 LYS 68 HE3 LYS 68 4.790 -6.553 -9.785 563 HZ1 LYS 68 HZ1 LYS 68 4.252 -8.861 -9.789 564 HZ2 LYS 68 HZ2 LYS 68 2.798 -8.654 -9.069 565 HZ3 LYS 68 HZ3 LYS 68 4.178 -8.333 -8.239 566 H SER 69 H SER 69 -2.113 -7.906 -6.367 567 HA SER 69 HA SER 69 -3.104 -10.208 -7.981 568 HB2 SER 69 HB2 SER 69 -2.538 -10.234 -5.002 569 HB3 SER 69 HB3 SER 69 -3.083 -11.583 -6.005 570 HG SER 69 HG SER 69 -0.574 -10.265 -6.018 571 H LEU 70 H LEU 70 -4.492 -7.698 -7.881 572 HA LEU 70 HA LEU 70 -6.754 -7.993 -6.034 573 HB2 LEU 70 HB2 LEU 70 -6.005 -6.008 -8.189 574 HB3 LEU 70 HB3 LEU 70 -7.649 -6.059 -7.566 575 HG LEU 70 HG LEU 70 -5.231 -5.702 -5.764 576 HD11 LEU 70 HD11 LEU 70 -5.387 -3.792 -7.309 577 HD12 LEU 70 HD12 LEU 70 -5.906 -3.303 -5.689 578 HD13 LEU 70 HD13 LEU 70 -7.116 -3.617 -6.944 579 HD21 LEU 70 HD21 LEU 70 -8.193 -5.155 -5.327 580 HD22 LEU 70 HD22 LEU 70 -6.902 -4.830 -4.159 581 HD23 LEU 70 HD23 LEU 70 -7.294 -6.493 -4.604 Start of MODEL 17 1 H GLN 1 H1 GLN 1 -12.780 -34.424 26.231 2 HA GLN 1 HA GLN 1 -15.150 -33.987 26.144 3 HB2 GLN 1 HB2 GLN 1 -15.705 -34.807 28.331 4 HB3 GLN 1 HB3 GLN 1 -14.273 -35.617 27.746 5 HG2 GLN 1 HG2 GLN 1 -12.886 -33.995 29.179 6 HG3 GLN 1 HG3 GLN 1 -14.409 -33.409 29.850 7 HE21 GLN 1 HE21 GLN 1 -15.856 -35.221 30.851 8 HE22 GLN 1 HE22 GLN 1 -14.914 -36.394 31.795 9 H GLU 2 H GLU 2 -16.972 -32.974 27.148 10 HA GLU 2 HA GLU 2 -18.294 -31.369 27.945 11 HB2 GLU 2 HB2 GLU 2 -16.983 -31.834 29.981 12 HB3 GLU 2 HB3 GLU 2 -15.936 -30.473 29.618 13 HG2 GLU 2 HG2 GLU 2 -17.935 -28.952 29.764 14 HG3 GLU 2 HG3 GLU 2 -18.914 -30.360 30.211 15 H SER 3 H SER 3 -15.398 -30.081 26.400 16 HA SER 3 HA SER 3 -17.181 -28.044 25.208 17 HB2 SER 3 HB2 SER 3 -15.517 -26.256 25.403 18 HB3 SER 3 HB3 SER 3 -16.113 -26.801 26.980 19 HG SER 3 HG SER 3 -14.249 -27.830 27.381 20 H PHE 4 H PHE 4 -16.864 -27.571 23.132 21 HA PHE 4 HA PHE 4 -14.891 -29.274 21.672 22 HB2 PHE 4 HB2 PHE 4 -17.208 -29.704 21.186 23 HB3 PHE 4 HB3 PHE 4 -17.515 -28.008 20.858 24 HD1 PHE 4 HD1 PHE 4 -14.893 -30.481 19.659 25 HD2 PHE 4 HD2 PHE 4 -17.993 -27.668 18.595 26 HE1 PHE 4 HE1 PHE 4 -14.428 -30.869 17.254 27 HE2 PHE 4 HE2 PHE 4 -17.582 -28.139 16.195 28 HZ PHE 4 HZ PHE 4 -15.777 -29.708 15.517 29 H LYS 5 H LYS 5 -16.243 -25.932 21.373 30 HA LYS 5 HA LYS 5 -13.555 -24.964 20.488 31 HB2 LYS 5 HB2 LYS 5 -16.272 -24.421 19.227 32 HB3 LYS 5 HB3 LYS 5 -14.843 -23.428 18.919 33 HG2 LYS 5 HG2 LYS 5 -13.642 -25.257 17.925 34 HG3 LYS 5 HG3 LYS 5 -14.858 -26.438 18.431 35 HD2 LYS 5 HD2 LYS 5 -16.520 -25.459 16.935 36 HD3 LYS 5 HD3 LYS 5 -15.363 -24.226 16.406 37 HE2 LYS 5 HE2 LYS 5 -13.843 -26.002 15.554 38 HE3 LYS 5 HE3 LYS 5 -14.962 -27.239 16.137 39 HZ1 LYS 5 HZ1 LYS 5 -15.410 -26.917 13.832 40 HZ2 LYS 5 HZ2 LYS 5 -15.448 -25.282 13.968 41 HZ3 LYS 5 HZ3 LYS 5 -16.652 -26.195 14.615 42 H LYS 6 H LYS 6 -12.989 -22.932 21.168 43 HA LYS 6 HA LYS 6 -14.857 -21.357 22.891 44 HB2 LYS 6 HB2 LYS 6 -12.141 -22.341 23.866 45 HB3 LYS 6 HB3 LYS 6 -13.161 -21.149 24.685 46 HG2 LYS 6 HG2 LYS 6 -15.008 -22.911 24.736 47 HG3 LYS 6 HG3 LYS 6 -13.781 -24.093 24.260 48 HD2 LYS 6 HD2 LYS 6 -13.749 -22.354 26.762 49 HD3 LYS 6 HD3 LYS 6 -14.193 -24.064 26.690 50 HE2 LYS 6 HE2 LYS 6 -11.909 -24.650 25.938 51 HE3 LYS 6 HE3 LYS 6 -11.447 -22.944 25.972 52 HZ1 LYS 6 HZ1 LYS 6 -11.902 -22.936 28.370 53 HZ2 LYS 6 HZ2 LYS 6 -10.782 -24.082 28.011 54 HZ3 LYS 6 HZ3 LYS 6 -12.305 -24.526 28.343 55 H GLN 7 H GLN 7 -13.928 -20.864 20.276 56 HA GLN 7 HA GLN 7 -11.761 -18.909 20.365 57 HB2 GLN 7 HB2 GLN 7 -12.083 -20.565 18.549 58 HB3 GLN 7 HB3 GLN 7 -13.600 -19.768 18.109 59 HG2 GLN 7 HG2 GLN 7 -12.309 -17.674 17.598 60 HG3 GLN 7 HG3 GLN 7 -10.812 -18.532 17.984 61 HE21 GLN 7 HE21 GLN 7 -10.831 -17.494 15.497 62 HE22 GLN 7 HE22 GLN 7 -11.081 -18.792 14.325 63 H GLU 8 H GLU 8 -15.314 -18.691 19.613 64 HA GLU 8 HA GLU 8 -15.073 -15.882 18.974 65 HB2 GLU 8 HB2 GLU 8 -16.709 -17.377 17.886 66 HB3 GLU 8 HB3 GLU 8 -17.578 -17.548 19.416 67 HG2 GLU 8 HG2 GLU 8 -17.949 -15.040 19.417 68 HG3 GLU 8 HG3 GLU 8 -17.161 -14.960 17.844 69 H LYS 9 H LYS 9 -14.760 -14.350 20.401 70 HA LYS 9 HA LYS 9 -16.613 -14.066 22.749 71 HB2 LYS 9 HB2 LYS 9 -13.596 -13.683 22.643 72 HB3 LYS 9 HB3 LYS 9 -14.572 -12.889 23.863 73 HG2 LYS 9 HG2 LYS 9 -14.276 -15.890 23.471 74 HG3 LYS 9 HG3 LYS 9 -13.565 -14.905 24.743 75 HD2 LYS 9 HD2 LYS 9 -16.517 -15.533 24.369 76 HD3 LYS 9 HD3 LYS 9 -15.442 -16.134 25.622 77 HE2 LYS 9 HE2 LYS 9 -15.210 -13.892 26.594 78 HE3 LYS 9 HE3 LYS 9 -16.158 -13.189 25.266 79 HZ1 LYS 9 HZ1 LYS 9 -17.185 -15.133 27.249 80 HZ2 LYS 9 HZ2 LYS 9 -18.045 -14.484 25.972 81 HZ3 LYS 9 HZ3 LYS 9 -17.557 -13.529 27.192 82 H THR 10 H THR 10 -15.038 -12.522 20.044 83 HA THR 10 HA THR 10 -16.784 -10.177 20.404 84 HB THR 10 HB THR 10 -15.065 -9.411 21.747 85 HG1 THR 10 HG1 THR 10 -13.975 -8.027 19.809 86 HG21 THR 10 HG21 THR 10 -13.000 -10.252 19.688 87 HG22 THR 10 HG22 THR 10 -13.212 -10.869 21.332 88 HG23 THR 10 HG23 THR 10 -12.695 -9.204 21.097 89 HA PRO 11 HA PRO 11 -16.167 -11.331 15.995 90 HB2 PRO 11 HB2 PRO 11 -18.717 -11.856 15.255 91 HB3 PRO 11 HB3 PRO 11 -17.725 -13.026 16.175 92 HG2 PRO 11 HG2 PRO 11 -19.827 -11.121 17.243 93 HG3 PRO 11 HG3 PRO 11 -19.601 -12.855 17.622 94 HD2 PRO 11 HD2 PRO 11 -18.631 -10.782 19.180 95 HD3 PRO 11 HD3 PRO 11 -17.868 -12.399 19.106 96 H LYS 12 H LYS 12 -15.689 -9.566 14.907 97 HA LYS 12 HA LYS 12 -17.728 -7.577 14.126 98 HB2 LYS 12 HB2 LYS 12 -15.080 -6.714 15.412 99 HB3 LYS 12 HB3 LYS 12 -16.170 -5.669 14.516 100 HG2 LYS 12 HG2 LYS 12 -16.857 -5.137 16.614 101 HG3 LYS 12 HG3 LYS 12 -17.984 -6.441 16.260 102 HD2 LYS 12 HD2 LYS 12 -16.008 -7.902 17.395 103 HD3 LYS 12 HD3 LYS 12 -15.589 -6.366 18.118 104 HE2 LYS 12 HE2 LYS 12 -18.400 -7.572 18.219 105 HE3 LYS 12 HE3 LYS 12 -17.156 -7.929 19.423 106 HZ1 LYS 12 HZ1 LYS 12 -18.216 -5.214 18.874 107 HZ2 LYS 12 HZ2 LYS 12 -17.029 -5.593 19.965 108 HZ3 LYS 12 HZ3 LYS 12 -18.562 -6.152 20.159 109 H THR 13 H THR 13 -17.014 -6.291 12.286 110 HA THR 13 HA THR 13 -14.866 -7.624 10.640 111 HB THR 13 HB THR 13 -17.332 -6.148 9.685 112 HG1 THR 13 HG1 THR 13 -17.518 -8.371 10.544 113 HG21 THR 13 HG21 THR 13 -16.655 -6.969 7.459 114 HG22 THR 13 HG22 THR 13 -15.159 -7.647 8.138 115 HG23 THR 13 HG23 THR 13 -15.418 -5.887 8.097 116 HA PRO 14 HA PRO 14 -13.310 -3.399 11.679 117 HB2 PRO 14 HB2 PRO 14 -10.705 -3.968 12.170 118 HB3 PRO 14 HB3 PRO 14 -11.998 -4.387 13.340 119 HG2 PRO 14 HG2 PRO 14 -10.747 -6.196 11.237 120 HG3 PRO 14 HG3 PRO 14 -10.938 -6.515 12.989 121 HD2 PRO 14 HD2 PRO 14 -12.746 -7.417 11.158 122 HD3 PRO 14 HD3 PRO 14 -13.263 -6.839 12.771 123 H LYS 15 H LYS 15 -12.188 -1.882 10.449 124 HA LYS 15 HA LYS 15 -11.571 -2.715 7.665 125 HB2 LYS 15 HB2 LYS 15 -12.391 -0.103 8.959 126 HB3 LYS 15 HB3 LYS 15 -11.680 -0.137 7.357 127 HG2 LYS 15 HG2 LYS 15 -14.011 -0.057 7.127 128 HG3 LYS 15 HG3 LYS 15 -13.459 -1.626 6.536 129 HD2 LYS 15 HD2 LYS 15 -14.277 -2.719 8.579 130 HD3 LYS 15 HD3 LYS 15 -14.719 -1.156 9.279 131 HE2 LYS 15 HE2 LYS 15 -15.947 -2.502 6.830 132 HE3 LYS 15 HE3 LYS 15 -16.683 -2.339 8.433 133 HZ1 LYS 15 HZ1 LYS 15 -16.033 -0.132 6.574 134 HZ2 LYS 15 HZ2 LYS 15 -16.557 0.107 8.108 135 HZ3 LYS 15 HZ3 LYS 15 -17.530 -0.636 6.972 136 H GLY 16 H GLY 16 -9.749 -1.609 10.416 137 HA2 GLY 16 HA2 GLY 16 -7.243 -1.833 8.917 138 HA3 GLY 16 HA3 GLY 16 -7.676 -0.180 9.307 139 HA PRO 17 HA PRO 17 -7.449 -2.570 13.377 140 HB2 PRO 17 HB2 PRO 17 -5.312 -4.641 12.863 141 HB3 PRO 17 HB3 PRO 17 -6.746 -4.736 13.929 142 HG2 PRO 17 HG2 PRO 17 -6.835 -5.866 11.501 143 HG3 PRO 17 HG3 PRO 17 -8.222 -4.852 12.027 144 HD2 PRO 17 HD2 PRO 17 -5.881 -4.064 10.266 145 HD3 PRO 17 HD3 PRO 17 -7.624 -3.813 9.982 146 H SER 18 H SER 18 -3.894 -2.848 12.530 147 HA SER 18 HA SER 18 -3.302 -0.227 13.487 148 HB2 SER 18 HB2 SER 18 -2.750 -2.460 15.470 149 HB3 SER 18 HB3 SER 18 -1.729 -1.011 15.407 150 HG SER 18 HG SER 18 -4.550 -0.942 15.615 151 H SER 19 H SER 19 -1.810 -3.480 13.192 152 HA SER 19 HA SER 19 0.839 -2.390 12.642 153 HB2 SER 19 HB2 SER 19 0.092 -4.545 13.918 154 HB3 SER 19 HB3 SER 19 -0.012 -5.276 12.310 155 HG SER 19 HG SER 19 2.157 -4.458 13.832 156 H VAL 20 H VAL 20 1.677 -4.378 10.535 157 HA VAL 20 HA VAL 20 0.947 -2.978 8.144 158 HB VAL 20 HB VAL 20 1.759 -5.902 8.211 159 HG11 VAL 20 HG11 VAL 20 2.022 -3.732 6.063 160 HG12 VAL 20 HG12 VAL 20 2.722 -5.362 5.964 161 HG13 VAL 20 HG13 VAL 20 0.981 -5.169 5.993 162 HG21 VAL 20 HG21 VAL 20 4.083 -5.101 7.833 163 HG22 VAL 20 HG22 VAL 20 3.547 -3.431 8.131 164 HG23 VAL 20 HG23 VAL 20 3.482 -4.644 9.430 165 H GLU 21 H GLU 21 -0.771 -5.469 9.894 166 HA GLU 21 HA GLU 21 -2.787 -6.279 8.122 167 HB2 GLU 21 HB2 GLU 21 -3.133 -5.552 11.051 168 HB3 GLU 21 HB3 GLU 21 -4.105 -6.689 10.116 169 HG2 GLU 21 HG2 GLU 21 -2.063 -8.132 9.832 170 HG3 GLU 21 HG3 GLU 21 -1.169 -7.033 10.886 171 H ASP 22 H ASP 22 -2.492 -3.102 9.760 172 HA ASP 22 HA ASP 22 -5.163 -2.151 9.072 173 HB2 ASP 22 HB2 ASP 22 -4.191 -1.104 10.917 174 HB3 ASP 22 HB3 ASP 22 -2.629 -0.895 10.137 175 H ILE 23 H ILE 23 -1.918 -1.822 7.671 176 HA ILE 23 HA ILE 23 -2.679 -0.220 5.418 177 HB ILE 23 HB ILE 23 -0.292 -2.029 5.975 178 HG12 ILE 23 HG12 ILE 23 -0.523 1.011 6.003 179 HG13 ILE 23 HG13 ILE 23 -0.620 -0.004 7.438 180 HG21 ILE 23 HG21 ILE 23 0.848 -0.915 4.076 181 HG22 ILE 23 HG22 ILE 23 -0.514 -1.901 3.577 182 HG23 ILE 23 HG23 ILE 23 -0.688 -0.128 3.636 183 HD11 ILE 23 HD11 ILE 23 1.590 0.875 7.360 184 HD12 ILE 23 HD12 ILE 23 1.700 -0.850 6.983 185 HD13 ILE 23 HD13 ILE 23 1.831 0.363 5.685 186 H LYS 24 H LYS 24 -2.401 -3.761 5.835 187 HA LYS 24 HA LYS 24 -3.092 -4.594 3.181 188 HB2 LYS 24 HB2 LYS 24 -3.626 -5.871 5.903 189 HB3 LYS 24 HB3 LYS 24 -3.892 -6.702 4.386 190 HG2 LYS 24 HG2 LYS 24 -1.153 -5.606 5.137 191 HG3 LYS 24 HG3 LYS 24 -1.733 -7.180 5.688 192 HD2 LYS 24 HD2 LYS 24 -2.072 -7.839 3.304 193 HD3 LYS 24 HD3 LYS 24 -1.401 -6.269 2.811 194 HE2 LYS 24 HE2 LYS 24 0.342 -7.908 2.617 195 HE3 LYS 24 HE3 LYS 24 0.737 -6.893 4.013 196 HZ1 LYS 24 HZ1 LYS 24 1.016 -9.286 4.409 197 HZ2 LYS 24 HZ2 LYS 24 -0.583 -9.564 4.201 198 HZ3 LYS 24 HZ3 LYS 24 -0.045 -8.654 5.462 199 H ALA 25 H ALA 25 -5.239 -4.135 6.026 200 HA ALA 25 HA ALA 25 -7.637 -4.727 4.584 201 HB1 ALA 25 HB1 ALA 25 -8.735 -4.003 6.643 202 HB2 ALA 25 HB2 ALA 25 -7.344 -5.034 7.000 203 HB3 ALA 25 HB3 ALA 25 -7.212 -3.276 7.216 204 H LYS 26 H LYS 26 -6.132 -1.544 5.425 205 HA LYS 26 HA LYS 26 -8.151 0.046 4.106 206 HB2 LYS 26 HB2 LYS 26 -5.295 0.545 4.969 207 HB3 LYS 26 HB3 LYS 26 -6.203 1.763 4.068 208 HG2 LYS 26 HG2 LYS 26 -7.787 2.102 5.751 209 HG3 LYS 26 HG3 LYS 26 -7.505 0.532 6.501 210 HD2 LYS 26 HD2 LYS 26 -6.648 2.390 7.881 211 HD3 LYS 26 HD3 LYS 26 -5.441 1.196 7.419 212 HE2 LYS 26 HE2 LYS 26 -4.637 2.724 5.611 213 HE3 LYS 26 HE3 LYS 26 -5.776 3.953 6.167 214 HZ1 LYS 26 HZ1 LYS 26 -3.470 4.153 7.062 215 HZ2 LYS 26 HZ2 LYS 26 -3.720 2.757 7.934 216 HZ3 LYS 26 HZ3 LYS 26 -4.603 4.104 8.223 217 H MET 27 H MET 27 -5.271 -1.619 2.754 218 HA MET 27 HA MET 27 -5.709 -0.512 0.110 219 HB2 MET 27 HB2 MET 27 -4.240 -2.940 1.142 220 HB3 MET 27 HB3 MET 27 -4.585 -2.785 -0.581 221 HG2 MET 27 HG2 MET 27 -3.095 -0.717 1.075 222 HG3 MET 27 HG3 MET 27 -2.372 -1.916 0.004 223 HE1 MET 27 HE1 MET 27 -3.912 2.176 -1.145 224 HE2 MET 27 HE2 MET 27 -4.476 1.323 0.303 225 HE3 MET 27 HE3 MET 27 -2.749 1.704 0.115 226 H GLN 28 H GLN 28 -7.224 -3.362 1.756 227 HA GLN 28 HA GLN 28 -8.669 -4.133 -0.624 228 HB2 GLN 28 HB2 GLN 28 -9.724 -4.506 2.195 229 HB3 GLN 28 HB3 GLN 28 -10.133 -5.399 0.741 230 HG2 GLN 28 HG2 GLN 28 -7.673 -5.614 2.458 231 HG3 GLN 28 HG3 GLN 28 -8.798 -6.860 1.964 232 HE21 GLN 28 HE21 GLN 28 -5.854 -5.176 1.135 233 HE22 GLN 28 HE22 GLN 28 -5.570 -6.105 -0.361 234 H ALA 29 H ALA 29 -9.534 -1.896 2.051 235 HA ALA 29 HA ALA 29 -12.027 -1.000 1.030 236 HB1 ALA 29 HB1 ALA 29 -11.694 0.927 2.476 237 HB2 ALA 29 HB2 ALA 29 -11.220 -0.558 3.310 238 HB3 ALA 29 HB3 ALA 29 -9.975 0.540 2.663 239 H SER 30 H SER 30 -8.717 0.184 0.313 240 HA SER 30 HA SER 30 -9.446 2.357 -1.385 241 HB2 SER 30 HB2 SER 30 -6.952 0.614 -1.565 242 HB3 SER 30 HB3 SER 30 -7.167 2.225 -2.260 243 HG SER 30 HG SER 30 -7.247 1.544 0.513 244 H ILE 31 H ILE 31 -9.283 -1.122 -2.085 245 HA ILE 31 HA ILE 31 -9.618 -0.766 -4.977 246 HB ILE 31 HB ILE 31 -9.900 -3.204 -3.195 247 HG12 ILE 31 HG12 ILE 31 -7.731 -2.450 -5.204 248 HG13 ILE 31 HG13 ILE 31 -7.600 -2.092 -3.494 249 HG21 ILE 31 HG21 ILE 31 -11.302 -3.491 -5.216 250 HG22 ILE 31 HG22 ILE 31 -9.938 -3.013 -6.247 251 HG23 ILE 31 HG23 ILE 31 -9.887 -4.520 -5.308 252 HD11 ILE 31 HD11 ILE 31 -7.749 -4.865 -4.696 253 HD12 ILE 31 HD12 ILE 31 -6.369 -4.090 -3.905 254 HD13 ILE 31 HD13 ILE 31 -7.802 -4.507 -2.950 255 H GLU 32 H GLU 32 -11.872 -1.661 -2.275 256 HA GLU 32 HA GLU 32 -14.105 -1.562 -4.156 257 HB2 GLU 32 HB2 GLU 32 -15.533 -2.149 -2.287 258 HB3 GLU 32 HB3 GLU 32 -14.142 -3.212 -2.460 259 HG2 GLU 32 HG2 GLU 32 -12.992 -1.907 -0.644 260 HG3 GLU 32 HG3 GLU 32 -14.474 -0.980 -0.409 261 H LYS 33 H LYS 33 -12.550 0.972 -2.664 262 HA LYS 33 HA LYS 33 -14.903 2.773 -3.152 263 HB2 LYS 33 HB2 LYS 33 -12.288 3.295 -1.688 264 HB3 LYS 33 HB3 LYS 33 -13.557 4.493 -1.990 265 HG2 LYS 33 HG2 LYS 33 -15.194 3.054 -0.759 266 HG3 LYS 33 HG3 LYS 33 -13.897 1.921 -0.367 267 HD2 LYS 33 HD2 LYS 33 -12.669 3.721 0.829 268 HD3 LYS 33 HD3 LYS 33 -13.986 4.851 0.441 269 HE2 LYS 33 HE2 LYS 33 -15.584 3.328 1.654 270 HE3 LYS 33 HE3 LYS 33 -14.212 2.316 2.130 271 HZ1 LYS 33 HZ1 LYS 33 -13.285 4.227 3.310 272 HZ2 LYS 33 HZ2 LYS 33 -14.816 3.956 3.844 273 HZ3 LYS 33 HZ3 LYS 33 -14.533 5.187 2.821 274 H GLY 34 H GLY 34 -11.519 2.262 -4.226 275 HA2 GLY 34 HA2 GLY 34 -10.664 2.522 -6.318 276 HA3 GLY 34 HA3 GLY 34 -12.314 2.737 -6.891 277 H GLY 35 H GLY 35 -10.803 5.070 -4.647 278 HA2 GLY 35 HA2 GLY 35 -10.146 6.920 -6.906 279 HA3 GLY 35 HA3 GLY 35 -11.170 7.455 -5.570 280 H SER 36 H SER 36 -8.456 5.279 -4.972 281 HA SER 36 HA SER 36 -7.048 7.485 -3.517 282 HB2 SER 36 HB2 SER 36 -8.619 6.057 -2.108 283 HB3 SER 36 HB3 SER 36 -7.495 4.713 -2.387 284 HG SER 36 HG SER 36 -6.953 5.768 -0.487 285 H LEU 37 H LEU 37 -4.927 7.217 -2.996 286 HA LEU 37 HA LEU 37 -2.802 7.007 -3.404 287 HB2 LEU 37 HB2 LEU 37 -3.620 4.124 -3.661 288 HB3 LEU 37 HB3 LEU 37 -1.981 4.572 -4.028 289 HG LEU 37 HG LEU 37 -2.232 3.714 -1.769 290 HD11 LEU 37 HD11 LEU 37 -1.377 6.631 -1.757 291 HD12 LEU 37 HD12 LEU 37 -0.377 5.237 -2.255 292 HD13 LEU 37 HD13 LEU 37 -0.928 5.380 -0.583 293 HD21 LEU 37 HD21 LEU 37 -4.487 4.629 -1.242 294 HD22 LEU 37 HD22 LEU 37 -3.764 6.245 -1.075 295 HD23 LEU 37 HD23 LEU 37 -3.283 4.939 0.022 296 HA PRO 38 HA PRO 38 -1.601 7.716 -7.601 297 HB2 PRO 38 HB2 PRO 38 1.004 6.374 -6.869 298 HB3 PRO 38 HB3 PRO 38 0.740 7.945 -7.694 299 HG2 PRO 38 HG2 PRO 38 1.408 7.918 -5.082 300 HG3 PRO 38 HG3 PRO 38 0.088 8.995 -5.641 301 HD2 PRO 38 HD2 PRO 38 -0.146 6.259 -4.360 302 HD3 PRO 38 HD3 PRO 38 -0.999 7.783 -3.957 303 H LYS 39 H LYS 39 -0.959 6.662 -9.636 304 HA LYS 39 HA LYS 39 -2.043 3.945 -9.863 305 HB2 LYS 39 HB2 LYS 39 -2.637 5.592 -11.495 306 HB3 LYS 39 HB3 LYS 39 -0.950 5.955 -11.868 307 HG2 LYS 39 HG2 LYS 39 -0.624 3.849 -12.964 308 HG3 LYS 39 HG3 LYS 39 -2.165 3.208 -12.367 309 HD2 LYS 39 HD2 LYS 39 -3.436 4.671 -13.770 310 HD3 LYS 39 HD3 LYS 39 -2.011 5.632 -14.212 311 HE2 LYS 39 HE2 LYS 39 -1.069 3.812 -15.470 312 HE3 LYS 39 HE3 LYS 39 -2.277 2.670 -14.861 313 HZ1 LYS 39 HZ1 LYS 39 -3.925 3.621 -16.175 314 HZ2 LYS 39 HZ2 LYS 39 -2.634 3.654 -17.188 315 HZ3 LYS 39 HZ3 LYS 39 -3.137 5.026 -16.418 316 H VAL 40 H VAL 40 1.208 5.323 -9.978 317 HA VAL 40 HA VAL 40 2.321 2.686 -10.789 318 HB VAL 40 HB VAL 40 2.706 4.570 -12.264 319 HG11 VAL 40 HG11 VAL 40 4.248 6.359 -11.720 320 HG12 VAL 40 HG12 VAL 40 2.900 6.382 -10.581 321 HG13 VAL 40 HG13 VAL 40 4.480 5.729 -10.079 322 HG21 VAL 40 HG21 VAL 40 5.054 4.212 -12.693 323 HG22 VAL 40 HG22 VAL 40 5.317 3.571 -11.067 324 HG23 VAL 40 HG23 VAL 40 4.302 2.680 -12.227 325 H GLU 41 H GLU 41 3.923 1.654 -9.809 326 HA GLU 41 HA GLU 41 3.923 1.540 -7.086 327 HB2 GLU 41 HB2 GLU 41 5.926 0.080 -7.278 328 HB3 GLU 41 HB3 GLU 41 4.543 -0.311 -8.272 329 HG2 GLU 41 HG2 GLU 41 6.381 -0.781 -9.613 330 HG3 GLU 41 HG3 GLU 41 5.696 0.691 -10.268 331 H ALA 42 H ALA 42 6.455 3.403 -8.854 332 HA ALA 42 HA ALA 42 7.975 3.955 -6.525 333 HB1 ALA 42 HB1 ALA 42 8.841 4.136 -8.771 334 HB2 ALA 42 HB2 ALA 42 7.695 5.442 -9.175 335 HB3 ALA 42 HB3 ALA 42 8.991 5.712 -7.999 336 H LYS 43 H LYS 43 5.377 5.926 -8.002 337 HA LYS 43 HA LYS 43 5.454 8.073 -6.037 338 HB2 LYS 43 HB2 LYS 43 3.199 7.079 -7.846 339 HB3 LYS 43 HB3 LYS 43 3.137 8.548 -6.853 340 HG2 LYS 43 HG2 LYS 43 5.059 9.475 -8.085 341 HG3 LYS 43 HG3 LYS 43 5.091 8.023 -9.111 342 HD2 LYS 43 HD2 LYS 43 2.734 8.519 -9.824 343 HD3 LYS 43 HD3 LYS 43 2.778 10.012 -8.873 344 HE2 LYS 43 HE2 LYS 43 4.580 10.904 -10.242 345 HE3 LYS 43 HE3 LYS 43 4.765 9.363 -11.094 346 HZ1 LYS 43 HZ1 LYS 43 2.286 11.006 -11.201 347 HZ2 LYS 43 HZ2 LYS 43 2.623 9.654 -12.092 348 HZ3 LYS 43 HZ3 LYS 43 3.447 11.053 -12.328 349 H PHE 44 H PHE 44 3.648 5.029 -6.327 350 HA PHE 44 HA PHE 44 1.973 5.351 -4.086 351 HB2 PHE 44 HB2 PHE 44 1.642 3.714 -5.888 352 HB3 PHE 44 HB3 PHE 44 3.096 2.858 -5.421 353 HD1 PHE 44 HD1 PHE 44 3.191 1.633 -3.188 354 HD2 PHE 44 HD2 PHE 44 -0.451 3.139 -4.936 355 HE1 PHE 44 HE1 PHE 44 1.875 0.076 -1.784 356 HE2 PHE 44 HE2 PHE 44 -1.767 1.598 -3.507 357 HZ PHE 44 HZ PHE 44 -0.603 0.063 -1.927 358 H ILE 45 H ILE 45 5.184 3.688 -4.283 359 HA ILE 45 HA ILE 45 5.397 3.092 -1.496 360 HB ILE 45 HB ILE 45 7.427 3.386 -3.725 361 HG12 ILE 45 HG12 ILE 45 6.431 0.981 -2.107 362 HG13 ILE 45 HG13 ILE 45 5.748 1.471 -3.652 363 HG21 ILE 45 HG21 ILE 45 7.985 2.536 -0.840 364 HG22 ILE 45 HG22 ILE 45 9.120 2.383 -2.200 365 HG23 ILE 45 HG23 ILE 45 8.642 3.976 -1.662 366 HD11 ILE 45 HD11 ILE 45 7.243 -0.348 -4.033 367 HD12 ILE 45 HD12 ILE 45 7.957 1.112 -4.745 368 HD13 ILE 45 HD13 ILE 45 8.578 0.461 -3.204 369 H ASN 46 H ASN 46 6.479 6.052 -3.286 370 HA ASN 46 HA ASN 46 7.516 7.420 -1.016 371 HB2 ASN 46 HB2 ASN 46 7.980 8.746 -2.739 372 HB3 ASN 46 HB3 ASN 46 6.720 8.071 -3.753 373 HD21 ASN 46 HD21 ASN 46 4.563 9.044 -3.684 374 HD22 ASN 46 HD22 ASN 46 4.453 10.738 -3.186 375 H TYR 47 H TYR 47 4.099 7.266 -2.128 376 HA TYR 47 HA TYR 47 3.228 9.056 -0.051 377 HB2 TYR 47 HB2 TYR 47 2.172 8.529 -2.380 378 HB3 TYR 47 HB3 TYR 47 1.346 7.229 -1.534 379 HD1 TYR 47 HD2 TYR 47 -0.229 7.829 0.395 380 HD2 TYR 47 HD1 TYR 47 1.621 10.845 -2.077 381 HE1 TYR 47 HE2 TYR 47 -1.822 9.521 1.269 382 HE2 TYR 47 HE1 TYR 47 0.002 12.538 -1.209 383 HH TYR 47 HH TYR 47 -2.490 11.706 1.232 384 H VAL 48 H VAL 48 3.259 5.480 -0.299 385 HA VAL 48 HA VAL 48 1.924 5.040 2.232 386 HB VAL 48 HB VAL 48 3.694 3.253 0.533 387 HG11 VAL 48 HG11 VAL 48 2.128 2.555 3.061 388 HG12 VAL 48 HG12 VAL 48 2.790 1.366 1.914 389 HG13 VAL 48 HG13 VAL 48 3.882 2.409 2.824 390 HG21 VAL 48 HG21 VAL 48 1.465 3.838 -0.424 391 HG22 VAL 48 HG22 VAL 48 1.539 2.137 0.036 392 HG23 VAL 48 HG23 VAL 48 0.683 3.296 1.072 393 H LYS 49 H LYS 49 5.424 5.351 1.394 394 HA LYS 49 HA LYS 49 6.288 5.010 4.158 395 HB2 LYS 49 HB2 LYS 49 7.639 6.223 1.711 396 HB3 LYS 49 HB3 LYS 49 8.404 6.123 3.302 397 HG2 LYS 49 HG2 LYS 49 8.163 3.674 3.328 398 HG3 LYS 49 HG3 LYS 49 7.333 3.712 1.774 399 HD2 LYS 49 HD2 LYS 49 9.608 3.025 1.427 400 HD3 LYS 49 HD3 LYS 49 9.365 4.615 0.690 401 HE2 LYS 49 HE2 LYS 49 10.462 5.691 2.638 402 HE3 LYS 49 HE3 LYS 49 10.693 4.112 3.404 403 HZ1 LYS 49 HZ1 LYS 49 12.163 3.488 1.584 404 HZ2 LYS 49 HZ2 LYS 49 12.670 4.980 2.086 405 HZ3 LYS 49 HZ3 LYS 49 11.794 4.797 0.727 406 H ASN 50 H ASN 50 4.855 7.708 2.499 407 HA ASN 50 HA ASN 50 5.287 9.526 4.767 408 HB2 ASN 50 HB2 ASN 50 4.717 10.881 3.087 409 HB3 ASN 50 HB3 ASN 50 3.890 9.644 2.175 410 HD21 ASN 50 HD21 ASN 50 1.641 9.408 2.387 411 HD22 ASN 50 HD22 ASN 50 0.678 10.608 3.252 412 H CYS 51 H CYS 51 2.438 7.537 3.716 413 HA CYS 51 HA CYS 51 0.842 8.183 5.890 414 HB2 CYS 51 HB2 CYS 51 0.873 5.663 4.173 415 HB3 CYS 51 HB3 CYS 51 -0.433 6.090 5.292 416 HG CYS 51 HG CYS 51 -0.900 8.481 4.245 417 H PHE 52 H PHE 52 3.334 5.631 5.905 418 HA PHE 52 HA PHE 52 3.114 5.658 8.797 419 HB2 PHE 52 HB2 PHE 52 1.454 3.859 7.990 420 HB3 PHE 52 HB3 PHE 52 2.856 2.948 7.456 421 HD1 PHE 52 HD1 PHE 52 1.628 4.816 10.519 422 HD2 PHE 52 HD2 PHE 52 3.653 1.326 8.990 423 HE1 PHE 52 HE1 PHE 52 1.818 3.914 12.824 424 HE2 PHE 52 HE2 PHE 52 3.828 0.424 11.288 425 HZ PHE 52 HZ PHE 52 2.896 1.700 13.211 426 H ARG 53 H ARG 53 4.788 4.343 9.848 427 HA ARG 53 HA ARG 53 7.403 4.936 8.723 428 HB2 ARG 53 HB2 ARG 53 6.411 3.767 11.339 429 HB3 ARG 53 HB3 ARG 53 8.132 3.962 10.968 430 HG2 ARG 53 HG2 ARG 53 7.760 6.409 10.542 431 HG3 ARG 53 HG3 ARG 53 6.069 6.215 11.013 432 HD2 ARG 53 HD2 ARG 53 7.311 7.132 12.856 433 HD3 ARG 53 HD3 ARG 53 6.781 5.498 13.282 434 HE ARG 53 HE ARG 53 9.332 5.123 12.252 435 HH11 ARG 53 HH11 ARG 53 8.136 7.163 14.898 436 HH12 ARG 53 HH12 ARG 53 9.661 6.949 15.759 437 HH21 ARG 53 HH21 ARG 53 11.138 4.931 13.493 438 HH22 ARG 53 HH22 ARG 53 11.221 5.823 15.030 439 H MET 54 H MET 54 6.899 3.526 6.868 440 HA MET 54 HA MET 54 7.704 0.693 7.269 441 HB2 MET 54 HB2 MET 54 6.674 2.119 4.791 442 HB3 MET 54 HB3 MET 54 7.076 0.406 4.900 443 HG2 MET 54 HG2 MET 54 4.858 1.878 6.355 444 HG3 MET 54 HG3 MET 54 4.684 0.682 5.081 445 HE1 MET 54 HE1 MET 54 5.253 -1.973 5.433 446 HE2 MET 54 HE2 MET 54 6.854 -1.615 6.129 447 HE3 MET 54 HE3 MET 54 5.721 -2.657 7.006 448 H THR 55 H THR 55 9.628 -0.058 6.799 449 HA THR 55 HA THR 55 11.232 1.096 4.603 450 HB THR 55 HB THR 55 12.012 2.170 6.730 451 HG1 THR 55 HG1 THR 55 14.123 1.983 6.150 452 HG21 THR 55 HG21 THR 55 13.205 -0.573 7.284 453 HG22 THR 55 HG22 THR 55 11.882 0.174 8.211 454 HG23 THR 55 HG23 THR 55 13.490 0.923 8.197 455 H ASP 56 H ASP 56 9.981 -1.628 6.203 456 HA ASP 56 HA ASP 56 11.961 -3.574 5.321 457 HB2 ASP 56 HB2 ASP 56 9.108 -3.879 6.301 458 HB3 ASP 56 HB3 ASP 56 10.218 -5.213 6.017 459 H GLN 57 H GLN 57 12.291 -3.867 3.200 460 HA GLN 57 HA GLN 57 10.290 -3.582 1.173 461 HB2 GLN 57 HB2 GLN 57 12.734 -3.351 0.804 462 HB3 GLN 57 HB3 GLN 57 12.918 -5.092 1.035 463 HG2 GLN 57 HG2 GLN 57 12.870 -4.456 -1.362 464 HG3 GLN 57 HG3 GLN 57 11.560 -5.547 -0.946 465 HE21 GLN 57 HE21 GLN 57 10.206 -4.896 -2.681 466 HE22 GLN 57 HE22 GLN 57 9.424 -3.321 -2.701 467 H GLU 58 H GLU 58 11.105 -6.267 3.272 468 HA GLU 58 HA GLU 58 9.729 -8.395 1.929 469 HB2 GLU 58 HB2 GLU 58 11.203 -8.776 3.836 470 HB3 GLU 58 HB3 GLU 58 10.193 -7.749 4.858 471 HG2 GLU 58 HG2 GLU 58 9.771 -10.043 5.406 472 HG3 GLU 58 HG3 GLU 58 8.337 -9.327 4.726 473 H ALA 59 H ALA 59 8.511 -5.945 4.308 474 HA ALA 59 HA ALA 59 5.790 -6.993 4.216 475 HB1 ALA 59 HB1 ALA 59 6.871 -4.382 5.293 476 HB2 ALA 59 HB2 ALA 59 5.241 -5.065 5.548 477 HB3 ALA 59 HB3 ALA 59 6.675 -5.915 6.191 478 H ILE 60 H ILE 60 7.581 -4.421 2.500 479 HA ILE 60 HA ILE 60 5.354 -3.306 1.059 480 HB ILE 60 HB ILE 60 8.304 -3.476 0.477 481 HG12 ILE 60 HG12 ILE 60 6.528 -1.126 1.274 482 HG13 ILE 60 HG13 ILE 60 7.468 -2.087 2.412 483 HG21 ILE 60 HG21 ILE 60 7.938 -1.790 -1.332 484 HG22 ILE 60 HG22 ILE 60 7.167 -3.310 -1.713 485 HG23 ILE 60 HG23 ILE 60 6.179 -1.956 -1.118 486 HD11 ILE 60 HD11 ILE 60 9.557 -1.462 1.182 487 HD12 ILE 60 HD12 ILE 60 8.589 -0.323 0.210 488 HD13 ILE 60 HD13 ILE 60 8.716 -0.105 1.963 489 H GLN 61 H GLN 61 7.590 -6.010 0.060 490 HA GLN 61 HA GLN 61 5.943 -6.513 -2.249 491 HB2 GLN 61 HB2 GLN 61 7.297 -8.403 -2.729 492 HB3 GLN 61 HB3 GLN 61 8.279 -7.026 -2.263 493 HG2 GLN 61 HG2 GLN 61 9.353 -8.761 -1.181 494 HG3 GLN 61 HG3 GLN 61 8.376 -8.068 0.080 495 HE21 GLN 61 HE21 GLN 61 7.394 -9.615 1.348 496 HE22 GLN 61 HE22 GLN 61 6.943 -11.219 0.807 497 H ASP 62 H ASP 62 5.732 -7.861 1.060 498 HA ASP 62 HA ASP 62 3.776 -9.861 0.367 499 HB2 ASP 62 HB2 ASP 62 5.129 -9.738 2.502 500 HB3 ASP 62 HB3 ASP 62 4.110 -8.397 3.018 501 H LEU 63 H LEU 63 3.520 -6.420 1.211 502 HA LEU 63 HA LEU 63 0.671 -6.266 1.247 503 HB2 LEU 63 HB2 LEU 63 2.158 -4.700 2.321 504 HB3 LEU 63 HB3 LEU 63 2.816 -4.170 0.788 505 HG LEU 63 HG LEU 63 1.207 -2.645 1.954 506 HD11 LEU 63 HD11 LEU 63 0.164 -1.800 -0.028 507 HD12 LEU 63 HD12 LEU 63 0.259 -3.365 -0.849 508 HD13 LEU 63 HD13 LEU 63 1.741 -2.453 -0.496 509 HD21 LEU 63 HD21 LEU 63 -0.465 -4.241 2.693 510 HD22 LEU 63 HD22 LEU 63 -0.926 -4.595 0.998 511 HD23 LEU 63 HD23 LEU 63 -1.204 -2.991 1.687 512 H TRP 64 H TRP 64 3.088 -5.613 -1.381 513 HA TRP 64 HA TRP 64 1.232 -5.201 -3.492 514 HB2 TRP 64 HB2 TRP 64 4.003 -6.439 -3.508 515 HB3 TRP 64 HB3 TRP 64 3.061 -6.183 -4.958 516 HD1 TRP 64 HD1 TRP 64 5.803 -4.664 -3.383 517 HE1 TRP 64 HE1 TRP 64 6.124 -2.247 -4.070 518 HE3 TRP 64 HE3 TRP 64 1.140 -3.771 -5.317 519 HZ2 TRP 64 HZ2 TRP 64 4.498 -0.093 -5.141 520 HZ3 TRP 64 HZ3 TRP 64 0.558 -1.511 -6.164 521 HH2 TRP 64 HH2 TRP 64 2.204 0.329 -6.067 522 H GLN 65 H GLN 65 2.522 -8.368 -2.259 523 HA GLN 65 HA GLN 65 1.070 -9.907 -4.192 524 HB2 GLN 65 HB2 GLN 65 1.905 -10.784 -1.406 525 HB3 GLN 65 HB3 GLN 65 1.352 -11.814 -2.713 526 HG2 GLN 65 HG2 GLN 65 4.031 -10.702 -2.220 527 HG3 GLN 65 HG3 GLN 65 3.553 -12.186 -2.978 528 HE21 GLN 65 HE21 GLN 65 4.517 -8.903 -3.515 529 HE22 GLN 65 HE22 GLN 65 4.543 -8.959 -5.278 530 H TRP 66 H TRP 66 0.045 -8.602 -1.028 531 HA TRP 66 HA TRP 66 -2.543 -9.901 -1.117 532 HB2 TRP 66 HB2 TRP 66 -1.212 -8.835 0.883 533 HB3 TRP 66 HB3 TRP 66 -2.066 -7.368 0.426 534 HD1 TRP 66 HD1 TRP 66 -4.331 -7.133 1.661 535 HE1 TRP 66 HE1 TRP 66 -6.014 -8.700 2.853 536 HE3 TRP 66 HE3 TRP 66 -2.103 -11.636 0.673 537 HZ2 TRP 66 HZ2 TRP 66 -6.236 -11.479 3.450 538 HZ3 TRP 66 HZ3 TRP 66 -3.068 -13.736 1.584 539 HH2 TRP 66 HH2 TRP 66 -5.125 -13.675 2.974 540 H ARG 67 H ARG 67 -1.312 -7.055 -2.740 541 HA ARG 67 HA ARG 67 -4.014 -6.277 -3.684 542 HB2 ARG 67 HB2 ARG 67 -1.604 -4.919 -3.500 543 HB3 ARG 67 HB3 ARG 67 -1.650 -5.293 -5.212 544 HG2 ARG 67 HG2 ARG 67 -4.015 -4.005 -3.764 545 HG3 ARG 67 HG3 ARG 67 -2.634 -3.070 -4.294 546 HD2 ARG 67 HD2 ARG 67 -4.338 -2.796 -5.903 547 HD3 ARG 67 HD3 ARG 67 -3.017 -3.698 -6.637 548 HE ARG 67 HE ARG 67 -4.474 -5.777 -6.193 549 HH11 ARG 67 HH11 ARG 67 -5.985 -2.673 -7.019 550 HH12 ARG 67 HH12 ARG 67 -7.233 -3.478 -7.913 551 HH21 ARG 67 HH21 ARG 67 -6.090 -6.678 -7.312 552 HH22 ARG 67 HH22 ARG 67 -7.258 -5.674 -8.108 553 H LYS 68 H LYS 68 -1.210 -8.079 -4.943 554 HA LYS 68 HA LYS 68 -2.585 -8.979 -7.337 555 HB2 LYS 68 HB2 LYS 68 -0.095 -8.572 -7.030 556 HB3 LYS 68 HB3 LYS 68 -0.034 -10.044 -6.074 557 HG2 LYS 68 HG2 LYS 68 0.787 -10.382 -8.333 558 HG3 LYS 68 HG3 LYS 68 -0.615 -11.392 -8.040 559 HD2 LYS 68 HD2 LYS 68 -2.033 -9.754 -9.305 560 HD3 LYS 68 HD3 LYS 68 -0.575 -8.776 -9.606 561 HE2 LYS 68 HE2 LYS 68 0.458 -10.814 -10.702 562 HE3 LYS 68 HE3 LYS 68 -1.073 -11.666 -10.463 563 HZ1 LYS 68 HZ1 LYS 68 -2.140 -9.908 -11.816 564 HZ2 LYS 68 HZ2 LYS 68 -1.008 -10.742 -12.677 565 HZ3 LYS 68 HZ3 LYS 68 -0.673 -9.233 -12.106 566 H SER 69 H SER 69 -3.880 -9.532 -4.766 567 HA SER 69 HA SER 69 -4.387 -12.465 -5.077 568 HB2 SER 69 HB2 SER 69 -4.474 -10.786 -2.549 569 HB3 SER 69 HB3 SER 69 -5.084 -12.440 -2.685 570 HG SER 69 HG SER 69 -2.405 -11.584 -3.133 571 H LEU 70 H LEU 70 -5.693 -9.547 -5.842 572 HA LEU 70 HA LEU 70 -8.230 -10.723 -6.463 573 HB2 LEU 70 HB2 LEU 70 -9.723 -9.271 -5.361 574 HB3 LEU 70 HB3 LEU 70 -8.686 -9.939 -4.121 575 HG LEU 70 HG LEU 70 -8.506 -7.115 -5.268 576 HD11 LEU 70 HD11 LEU 70 -9.398 -6.458 -3.072 577 HD12 LEU 70 HD12 LEU 70 -9.484 -8.159 -2.576 578 HD13 LEU 70 HD13 LEU 70 -10.516 -7.553 -3.893 579 HD21 LEU 70 HD21 LEU 70 -6.937 -8.554 -3.109 580 HD22 LEU 70 HD22 LEU 70 -7.043 -6.791 -3.172 581 HD23 LEU 70 HD23 LEU 70 -6.314 -7.672 -4.520 Start of MODEL 18 1 H GLN 1 H1 GLN 1 -45.424 7.052 30.881 2 HA GLN 1 HA GLN 1 -44.988 8.261 28.236 3 HB2 GLN 1 HB2 GLN 1 -46.340 9.691 29.735 4 HB3 GLN 1 HB3 GLN 1 -45.103 9.580 30.970 5 HG2 GLN 1 HG2 GLN 1 -44.857 11.688 29.958 6 HG3 GLN 1 HG3 GLN 1 -43.499 10.743 29.391 7 HE21 GLN 1 HE21 GLN 1 -44.210 13.076 28.059 8 HE22 GLN 1 HE22 GLN 1 -44.879 12.657 26.498 9 H GLU 2 H GLU 2 -43.401 7.906 31.488 10 HA GLU 2 HA GLU 2 -40.868 8.624 30.151 11 HB2 GLU 2 HB2 GLU 2 -41.593 8.719 33.088 12 HB3 GLU 2 HB3 GLU 2 -40.131 9.362 32.326 13 HG2 GLU 2 HG2 GLU 2 -41.617 10.864 30.923 14 HG3 GLU 2 HG3 GLU 2 -42.986 10.341 31.912 15 H SER 3 H SER 3 -41.868 5.695 30.234 16 HA SER 3 HA SER 3 -39.856 4.376 31.897 17 HB2 SER 3 HB2 SER 3 -40.637 2.311 31.004 18 HB3 SER 3 HB3 SER 3 -42.020 3.324 31.452 19 HG SER 3 HG SER 3 -42.062 2.174 29.364 20 H PHE 4 H PHE 4 -40.139 4.975 28.392 21 HA PHE 4 HA PHE 4 -38.729 4.880 26.660 22 HB2 PHE 4 HB2 PHE 4 -36.823 5.733 28.837 23 HB3 PHE 4 HB3 PHE 4 -36.388 5.757 27.148 24 HD1 PHE 4 HD1 PHE 4 -38.218 6.922 25.528 25 HD2 PHE 4 HD2 PHE 4 -37.681 7.746 29.728 26 HE1 PHE 4 HE1 PHE 4 -39.333 9.119 25.237 27 HE2 PHE 4 HE2 PHE 4 -38.787 9.947 29.427 28 HZ PHE 4 HZ PHE 4 -39.614 10.636 27.190 29 H LYS 5 H LYS 5 -36.466 4.128 25.807 30 HA LYS 5 HA LYS 5 -36.119 1.208 26.427 31 HB2 LYS 5 HB2 LYS 5 -37.167 2.523 23.932 32 HB3 LYS 5 HB3 LYS 5 -36.040 1.191 23.712 33 HG2 LYS 5 HG2 LYS 5 -37.439 -0.294 25.092 34 HG3 LYS 5 HG3 LYS 5 -38.555 1.030 25.419 35 HD2 LYS 5 HD2 LYS 5 -39.486 -0.435 23.731 36 HD3 LYS 5 HD3 LYS 5 -39.176 1.159 23.061 37 HE2 LYS 5 HE2 LYS 5 -38.602 -0.501 21.417 38 HE3 LYS 5 HE3 LYS 5 -37.125 0.308 21.951 39 HZ1 LYS 5 HZ1 LYS 5 -36.910 -2.143 21.808 40 HZ2 LYS 5 HZ2 LYS 5 -38.024 -2.348 22.972 41 HZ3 LYS 5 HZ3 LYS 5 -36.592 -1.580 23.292 42 H LYS 6 H LYS 6 -34.685 4.099 24.936 43 HA LYS 6 HA LYS 6 -32.197 2.877 24.151 44 HB2 LYS 6 HB2 LYS 6 -33.197 5.137 23.401 45 HB3 LYS 6 HB3 LYS 6 -32.584 5.794 24.926 46 HG2 LYS 6 HG2 LYS 6 -30.281 4.883 24.212 47 HG3 LYS 6 HG3 LYS 6 -30.994 4.536 22.641 48 HD2 LYS 6 HD2 LYS 6 -30.741 7.281 23.951 49 HD3 LYS 6 HD3 LYS 6 -29.716 6.637 22.667 50 HE2 LYS 6 HE2 LYS 6 -31.752 6.502 21.171 51 HE3 LYS 6 HE3 LYS 6 -32.674 7.306 22.449 52 HZ1 LYS 6 HZ1 LYS 6 -30.986 9.153 22.299 53 HZ2 LYS 6 HZ2 LYS 6 -31.927 8.990 20.966 54 HZ3 LYS 6 HZ3 LYS 6 -30.376 8.454 20.955 55 H GLN 7 H GLN 7 -30.307 2.530 25.264 56 HA GLN 7 HA GLN 7 -30.022 3.538 28.045 57 HB2 GLN 7 HB2 GLN 7 -31.280 1.319 28.035 58 HB3 GLN 7 HB3 GLN 7 -29.845 0.581 27.328 59 HG2 GLN 7 HG2 GLN 7 -29.799 0.124 29.660 60 HG3 GLN 7 HG3 GLN 7 -28.548 1.321 29.392 61 HE21 GLN 7 HE21 GLN 7 -31.407 0.568 31.195 62 HE22 GLN 7 HE22 GLN 7 -31.498 2.118 32.018 63 H GLU 8 H GLU 8 -28.445 1.872 25.260 64 HA GLU 8 HA GLU 8 -25.885 1.805 26.605 65 HB2 GLU 8 HB2 GLU 8 -26.584 1.356 23.681 66 HB3 GLU 8 HB3 GLU 8 -25.036 0.975 24.453 67 HG2 GLU 8 HG2 GLU 8 -26.266 -0.556 26.036 68 HG3 GLU 8 HG3 GLU 8 -27.735 -0.291 25.090 69 H LYS 9 H LYS 9 -27.051 3.868 23.919 70 HA LYS 9 HA LYS 9 -26.380 5.902 23.140 71 HB2 LYS 9 HB2 LYS 9 -25.660 6.428 26.028 72 HB3 LYS 9 HB3 LYS 9 -26.243 7.594 24.831 73 HG2 LYS 9 HG2 LYS 9 -28.425 6.271 24.792 74 HG3 LYS 9 HG3 LYS 9 -27.819 5.381 26.186 75 HD2 LYS 9 HD2 LYS 9 -28.444 8.339 26.022 76 HD3 LYS 9 HD3 LYS 9 -29.258 7.117 26.998 77 HE2 LYS 9 HE2 LYS 9 -27.215 6.834 28.375 78 HE3 LYS 9 HE3 LYS 9 -26.356 7.994 27.350 79 HZ1 LYS 9 HZ1 LYS 9 -27.114 9.166 29.243 80 HZ2 LYS 9 HZ2 LYS 9 -28.655 8.589 29.119 81 HZ3 LYS 9 HZ3 LYS 9 -28.077 9.649 28.009 82 H THR 10 H THR 10 -24.011 3.956 23.231 83 HA THR 10 HA THR 10 -21.752 5.908 23.109 84 HB THR 10 HB THR 10 -20.394 4.227 24.470 85 HG1 THR 10 HG1 THR 10 -22.995 3.538 25.380 86 HG21 THR 10 HG21 THR 10 -21.152 6.424 25.367 87 HG22 THR 10 HG22 THR 10 -21.031 5.152 26.595 88 HG23 THR 10 HG23 THR 10 -22.624 5.639 25.986 89 HA PRO 11 HA PRO 11 -21.584 2.640 19.817 90 HB2 PRO 11 HB2 PRO 11 -21.887 4.086 17.574 91 HB3 PRO 11 HB3 PRO 11 -23.282 3.674 18.623 92 HG2 PRO 11 HG2 PRO 11 -21.723 6.276 18.526 93 HG3 PRO 11 HG3 PRO 11 -23.494 6.039 18.576 94 HD2 PRO 11 HD2 PRO 11 -21.895 6.569 20.789 95 HD3 PRO 11 HD3 PRO 11 -23.453 5.710 20.874 96 H LYS 12 H LYS 12 -20.030 2.218 18.094 97 HA LYS 12 HA LYS 12 -17.400 3.616 18.503 98 HB2 LYS 12 HB2 LYS 12 -17.944 0.619 18.607 99 HB3 LYS 12 HB3 LYS 12 -16.395 1.401 18.844 100 HG2 LYS 12 HG2 LYS 12 -18.812 1.612 20.687 101 HG3 LYS 12 HG3 LYS 12 -17.389 0.619 20.954 102 HD2 LYS 12 HD2 LYS 12 -15.966 2.555 21.265 103 HD3 LYS 12 HD3 LYS 12 -17.256 3.658 20.752 104 HE2 LYS 12 HE2 LYS 12 -18.673 2.828 22.634 105 HE3 LYS 12 HE3 LYS 12 -17.289 1.883 23.228 106 HZ1 LYS 12 HZ1 LYS 12 -17.348 3.996 24.377 107 HZ2 LYS 12 HZ2 LYS 12 -17.491 4.829 22.985 108 HZ3 LYS 12 HZ3 LYS 12 -16.067 4.061 23.343 109 H THR 13 H THR 13 -15.785 3.263 16.972 110 HA THR 13 HA THR 13 -16.468 1.809 14.462 111 HB THR 13 HB THR 13 -14.919 4.384 14.213 112 HG1 THR 13 HG1 THR 13 -16.875 5.329 13.502 113 HG21 THR 13 HG21 THR 13 -15.612 4.224 11.932 114 HG22 THR 13 HG22 THR 13 -16.894 3.059 12.320 115 HG23 THR 13 HG23 THR 13 -15.201 2.560 12.378 116 HA PRO 14 HA PRO 14 -12.431 0.850 16.514 117 HB2 PRO 14 HB2 PRO 14 -12.617 -1.818 16.879 118 HB3 PRO 14 HB3 PRO 14 -13.474 -0.651 17.933 119 HG2 PRO 14 HG2 PRO 14 -14.583 -2.211 15.568 120 HG3 PRO 14 HG3 PRO 14 -15.304 -2.003 17.187 121 HD2 PRO 14 HD2 PRO 14 -16.011 -0.448 15.044 122 HD3 PRO 14 HD3 PRO 14 -15.979 0.187 16.717 123 H LYS 15 H LYS 15 -10.755 0.988 15.091 124 HA LYS 15 HA LYS 15 -10.279 -1.137 13.076 125 HB2 LYS 15 HB2 LYS 15 -10.300 0.442 11.192 126 HB3 LYS 15 HB3 LYS 15 -11.859 0.293 11.971 127 HG2 LYS 15 HG2 LYS 15 -10.846 2.492 13.324 128 HG3 LYS 15 HG3 LYS 15 -10.028 2.650 11.771 129 HD2 LYS 15 HD2 LYS 15 -12.306 2.435 10.648 130 HD3 LYS 15 HD3 LYS 15 -13.000 2.294 12.269 131 HE2 LYS 15 HE2 LYS 15 -13.350 4.559 11.705 132 HE3 LYS 15 HE3 LYS 15 -11.961 4.581 12.792 133 HZ1 LYS 15 HZ1 LYS 15 -11.564 5.980 10.889 134 HZ2 LYS 15 HZ2 LYS 15 -11.885 4.764 9.826 135 HZ3 LYS 15 HZ3 LYS 15 -10.538 4.707 10.753 136 H GLY 16 H GLY 16 -8.357 -0.857 11.813 137 HA2 GLY 16 HA2 GLY 16 -6.127 -0.475 11.502 138 HA3 GLY 16 HA3 GLY 16 -6.212 0.920 12.574 139 HA PRO 17 HA PRO 17 -5.248 -2.996 15.304 140 HB2 PRO 17 HB2 PRO 17 -4.083 -4.749 13.142 141 HB3 PRO 17 HB3 PRO 17 -4.943 -5.231 14.637 142 HG2 PRO 17 HG2 PRO 17 -6.266 -5.253 12.299 143 HG3 PRO 17 HG3 PRO 17 -7.051 -4.503 13.734 144 HD2 PRO 17 HD2 PRO 17 -5.507 -3.145 11.519 145 HD3 PRO 17 HD3 PRO 17 -7.125 -2.739 12.153 146 H SER 18 H SER 18 -3.025 -4.340 15.765 147 HA SER 18 HA SER 18 -0.856 -2.385 15.781 148 HB2 SER 18 HB2 SER 18 0.254 -4.152 17.172 149 HB3 SER 18 HB3 SER 18 -1.325 -3.620 17.773 150 HG SER 18 HG SER 18 -0.516 -6.056 16.683 151 H SER 19 H SER 19 -1.575 -5.207 13.849 152 HA SER 19 HA SER 19 1.178 -5.660 12.940 153 HB2 SER 19 HB2 SER 19 -0.455 -7.454 13.349 154 HB3 SER 19 HB3 SER 19 -1.510 -6.786 12.091 155 HG SER 19 HG SER 19 -0.198 -8.602 11.491 156 H VAL 20 H VAL 20 1.548 -5.892 10.494 157 HA VAL 20 HA VAL 20 1.004 -3.644 8.831 158 HB VAL 20 HB VAL 20 1.605 -6.548 8.129 159 HG11 VAL 20 HG11 VAL 20 0.661 -5.563 6.142 160 HG12 VAL 20 HG12 VAL 20 1.640 -4.088 6.335 161 HG13 VAL 20 HG13 VAL 20 2.405 -5.646 5.931 162 HG21 VAL 20 HG21 VAL 20 3.394 -4.077 8.261 163 HG22 VAL 20 HG22 VAL 20 3.424 -5.443 9.383 164 HG23 VAL 20 HG23 VAL 20 3.900 -5.678 7.698 165 H GLU 21 H GLU 21 -1.023 -6.323 9.733 166 HA GLU 21 HA GLU 21 -3.006 -6.379 7.772 167 HB2 GLU 21 HB2 GLU 21 -3.247 -6.624 10.796 168 HB3 GLU 21 HB3 GLU 21 -4.528 -7.043 9.674 169 HG2 GLU 21 HG2 GLU 21 -1.770 -8.346 9.750 170 HG3 GLU 21 HG3 GLU 21 -3.262 -9.039 10.387 171 H ASP 22 H ASP 22 -2.466 -3.764 10.081 172 HA ASP 22 HA ASP 22 -4.945 -2.313 9.736 173 HB2 ASP 22 HB2 ASP 22 -3.469 -1.716 11.520 174 HB3 ASP 22 HB3 ASP 22 -2.074 -1.636 10.449 175 H ILE 23 H ILE 23 -1.836 -2.146 7.963 176 HA ILE 23 HA ILE 23 -2.843 -0.184 6.094 177 HB ILE 23 HB ILE 23 -0.378 -1.977 5.863 178 HG12 ILE 23 HG12 ILE 23 0.824 0.256 6.384 179 HG13 ILE 23 HG13 ILE 23 -0.707 0.827 7.023 180 HG21 ILE 23 HG21 ILE 23 0.392 -0.297 4.215 181 HG22 ILE 23 HG22 ILE 23 -1.116 -1.041 3.693 182 HG23 ILE 23 HG23 ILE 23 -1.143 0.587 4.394 183 HD11 ILE 23 HD11 ILE 23 0.921 -0.027 8.730 184 HD12 ILE 23 HD12 ILE 23 -0.612 -0.876 8.800 185 HD13 ILE 23 HD13 ILE 23 0.783 -1.641 8.013 186 H LYS 24 H LYS 24 -2.580 -3.749 6.095 187 HA LYS 24 HA LYS 24 -3.500 -4.208 3.401 188 HB2 LYS 24 HB2 LYS 24 -4.011 -5.846 5.918 189 HB3 LYS 24 HB3 LYS 24 -4.282 -6.426 4.295 190 HG2 LYS 24 HG2 LYS 24 -1.563 -5.668 5.451 191 HG3 LYS 24 HG3 LYS 24 -2.219 -7.304 5.334 192 HD2 LYS 24 HD2 LYS 24 -2.301 -7.107 2.880 193 HD3 LYS 24 HD3 LYS 24 -1.677 -5.455 2.987 194 HE2 LYS 24 HE2 LYS 24 0.131 -6.866 2.344 195 HE3 LYS 24 HE3 LYS 24 0.432 -6.364 4.017 196 HZ1 LYS 24 HZ1 LYS 24 0.770 -8.790 3.455 197 HZ2 LYS 24 HZ2 LYS 24 -0.835 -8.943 3.282 198 HZ3 LYS 24 HZ3 LYS 24 -0.231 -8.531 4.758 199 H ALA 25 H ALA 25 -5.440 -3.990 6.427 200 HA ALA 25 HA ALA 25 -7.960 -4.218 5.144 201 HB1 ALA 25 HB1 ALA 25 -8.828 -3.352 7.309 202 HB2 ALA 25 HB2 ALA 25 -7.600 -4.605 7.545 203 HB3 ALA 25 HB3 ALA 25 -7.180 -2.897 7.792 204 H LYS 26 H LYS 26 -6.136 -1.274 6.115 205 HA LYS 26 HA LYS 26 -8.120 0.566 5.133 206 HB2 LYS 26 HB2 LYS 26 -5.234 0.926 5.978 207 HB3 LYS 26 HB3 LYS 26 -6.298 2.262 5.504 208 HG2 LYS 26 HG2 LYS 26 -7.904 1.711 7.268 209 HG3 LYS 26 HG3 LYS 26 -7.010 0.259 7.702 210 HD2 LYS 26 HD2 LYS 26 -6.562 1.899 9.345 211 HD3 LYS 26 HD3 LYS 26 -5.090 1.643 8.411 212 HE2 LYS 26 HE2 LYS 26 -5.382 3.726 7.207 213 HE3 LYS 26 HE3 LYS 26 -7.036 3.906 7.799 214 HZ1 LYS 26 HZ1 LYS 26 -5.524 5.328 9.008 215 HZ2 LYS 26 HZ2 LYS 26 -4.635 4.044 9.547 216 HZ3 LYS 26 HZ3 LYS 26 -6.187 4.237 10.024 217 H MET 27 H MET 27 -5.282 -0.875 3.500 218 HA MET 27 HA MET 27 -5.571 0.652 1.073 219 HB2 MET 27 HB2 MET 27 -4.399 -2.080 1.664 220 HB3 MET 27 HB3 MET 27 -4.580 -1.488 0.012 221 HG2 MET 27 HG2 MET 27 -3.278 0.523 0.531 222 HG3 MET 27 HG3 MET 27 -3.029 -0.047 2.184 223 HE1 MET 27 HE1 MET 27 -0.669 0.774 -0.038 224 HE2 MET 27 HE2 MET 27 -0.491 0.462 1.703 225 HE3 MET 27 HE3 MET 27 0.515 -0.419 0.531 226 H GLN 28 H GLN 28 -7.180 -2.483 2.059 227 HA GLN 28 HA GLN 28 -8.573 -2.601 -0.499 228 HB2 GLN 28 HB2 GLN 28 -9.439 -3.900 2.102 229 HB3 GLN 28 HB3 GLN 28 -10.030 -4.258 0.481 230 HG2 GLN 28 HG2 GLN 28 -7.323 -4.863 1.651 231 HG3 GLN 28 HG3 GLN 28 -8.531 -5.989 1.081 232 HE21 GLN 28 HE21 GLN 28 -5.893 -3.866 0.091 233 HE22 GLN 28 HE22 GLN 28 -5.732 -4.602 -1.480 234 H ALA 29 H ALA 29 -9.517 -1.278 2.708 235 HA ALA 29 HA ALA 29 -12.104 -0.370 1.993 236 HB1 ALA 29 HB1 ALA 29 -11.767 1.216 3.886 237 HB2 ALA 29 HB2 ALA 29 -11.254 -0.427 4.305 238 HB3 ALA 29 HB3 ALA 29 -10.048 0.818 3.911 239 H SER 30 H SER 30 -8.918 1.259 1.561 240 HA SER 30 HA SER 30 -9.971 3.686 0.461 241 HB2 SER 30 HB2 SER 30 -7.252 2.367 0.056 242 HB3 SER 30 HB3 SER 30 -7.658 4.031 -0.365 243 HG SER 30 HG SER 30 -7.549 2.810 2.177 244 H ILE 31 H ILE 31 -8.747 0.729 -1.261 245 HA ILE 31 HA ILE 31 -9.298 1.976 -3.810 246 HB ILE 31 HB ILE 31 -7.444 0.377 -3.306 247 HG12 ILE 31 HG12 ILE 31 -9.062 -0.462 -5.731 248 HG13 ILE 31 HG13 ILE 31 -8.306 1.133 -5.618 249 HG21 ILE 31 HG21 ILE 31 -8.929 -1.358 -2.201 250 HG22 ILE 31 HG22 ILE 31 -9.474 -1.828 -3.816 251 HG23 ILE 31 HG23 ILE 31 -7.762 -1.984 -3.366 252 HD11 ILE 31 HD11 ILE 31 -6.765 -1.479 -5.395 253 HD12 ILE 31 HD12 ILE 31 -6.916 -0.496 -6.867 254 HD13 ILE 31 HD13 ILE 31 -6.094 0.164 -5.443 255 H GLU 32 H GLU 32 -11.300 -0.045 -1.741 256 HA GLU 32 HA GLU 32 -13.348 -0.105 -3.912 257 HB2 GLU 32 HB2 GLU 32 -13.261 -1.829 -1.429 258 HB3 GLU 32 HB3 GLU 32 -14.448 -1.886 -2.744 259 HG2 GLU 32 HG2 GLU 32 -12.361 -2.227 -4.302 260 HG3 GLU 32 HG3 GLU 32 -11.524 -2.681 -2.816 261 H LYS 33 H LYS 33 -12.706 1.908 -1.275 262 HA LYS 33 HA LYS 33 -15.503 2.918 -1.533 263 HB2 LYS 33 HB2 LYS 33 -13.876 3.226 0.985 264 HB3 LYS 33 HB3 LYS 33 -15.561 3.679 0.713 265 HG2 LYS 33 HG2 LYS 33 -16.099 1.257 0.285 266 HG3 LYS 33 HG3 LYS 33 -14.457 0.824 0.768 267 HD2 LYS 33 HD2 LYS 33 -16.533 2.183 2.522 268 HD3 LYS 33 HD3 LYS 33 -16.088 0.489 2.544 269 HE2 LYS 33 HE2 LYS 33 -13.730 1.164 3.104 270 HE3 LYS 33 HE3 LYS 33 -14.308 2.833 3.298 271 HZ1 LYS 33 HZ1 LYS 33 -15.812 2.052 5.049 272 HZ2 LYS 33 HZ2 LYS 33 -14.290 1.545 5.430 273 HZ3 LYS 33 HZ3 LYS 33 -15.346 0.495 4.817 274 H GLY 34 H GLY 34 -12.698 3.614 -2.736 275 HA2 GLY 34 HA2 GLY 34 -13.503 6.349 -3.349 276 HA3 GLY 34 HA3 GLY 34 -12.036 6.275 -2.381 277 H GLY 35 H GLY 35 -11.073 3.761 -3.735 278 HA2 GLY 35 HA2 GLY 35 -10.320 3.001 -5.893 279 HA3 GLY 35 HA3 GLY 35 -10.711 4.573 -6.582 280 H SER 36 H SER 36 -8.661 4.997 -7.459 281 HA SER 36 HA SER 36 -6.495 5.570 -7.569 282 HB2 SER 36 HB2 SER 36 -7.289 7.378 -6.039 283 HB3 SER 36 HB3 SER 36 -6.624 6.456 -4.681 284 HG SER 36 HG SER 36 -5.119 7.984 -5.509 285 H LEU 37 H LEU 37 -4.734 5.429 -5.143 286 HA LEU 37 HA LEU 37 -2.933 4.306 -4.520 287 HB2 LEU 37 HB2 LEU 37 -4.305 1.729 -5.361 288 HB3 LEU 37 HB3 LEU 37 -2.704 1.849 -4.674 289 HG LEU 37 HG LEU 37 -3.610 2.753 -2.597 290 HD11 LEU 37 HD11 LEU 37 -5.704 3.787 -3.086 291 HD12 LEU 37 HD12 LEU 37 -6.079 2.386 -2.101 292 HD13 LEU 37 HD13 LEU 37 -6.329 2.319 -3.863 293 HD21 LEU 37 HD21 LEU 37 -4.594 0.650 -1.782 294 HD22 LEU 37 HD22 LEU 37 -3.185 0.375 -2.809 295 HD23 LEU 37 HD23 LEU 37 -4.823 0.114 -3.460 296 HA PRO 38 HA PRO 38 -1.076 4.124 -8.623 297 HB2 PRO 38 HB2 PRO 38 1.489 4.621 -8.043 298 HB3 PRO 38 HB3 PRO 38 0.232 5.881 -7.851 299 HG2 PRO 38 HG2 PRO 38 1.383 4.056 -5.727 300 HG3 PRO 38 HG3 PRO 38 1.173 5.836 -5.637 301 HD2 PRO 38 HD2 PRO 38 -0.625 4.029 -4.580 302 HD3 PRO 38 HD3 PRO 38 -1.128 5.612 -5.240 303 H LYS 39 H LYS 39 0.468 2.767 -9.790 304 HA LYS 39 HA LYS 39 0.846 0.085 -8.501 305 HB2 LYS 39 HB2 LYS 39 -0.729 0.194 -10.429 306 HB3 LYS 39 HB3 LYS 39 0.600 0.786 -11.447 307 HG2 LYS 39 HG2 LYS 39 1.869 -1.321 -10.995 308 HG3 LYS 39 HG3 LYS 39 0.578 -1.862 -9.913 309 HD2 LYS 39 HD2 LYS 39 0.420 -2.967 -12.054 310 HD3 LYS 39 HD3 LYS 39 -0.994 -1.932 -11.811 311 HE2 LYS 39 HE2 LYS 39 -0.057 -0.235 -13.312 312 HE3 LYS 39 HE3 LYS 39 1.469 -1.126 -13.432 313 HZ1 LYS 39 HZ1 LYS 39 -1.164 -2.151 -14.323 314 HZ2 LYS 39 HZ2 LYS 39 0.269 -2.934 -14.494 315 HZ3 LYS 39 HZ3 LYS 39 0.005 -1.546 -15.333 316 H VAL 40 H VAL 40 2.490 2.567 -10.476 317 HA VAL 40 HA VAL 40 4.922 1.112 -10.832 318 HB VAL 40 HB VAL 40 4.365 4.094 -10.836 319 HG11 VAL 40 HG11 VAL 40 6.505 4.303 -12.085 320 HG12 VAL 40 HG12 VAL 40 6.767 3.805 -10.415 321 HG13 VAL 40 HG13 VAL 40 6.868 2.605 -11.729 322 HG21 VAL 40 HG21 VAL 40 3.264 2.715 -12.633 323 HG22 VAL 40 HG22 VAL 40 4.478 3.829 -13.278 324 HG23 VAL 40 HG23 VAL 40 4.856 2.102 -13.101 325 H GLU 41 H GLU 41 6.703 0.844 -9.650 326 HA GLU 41 HA GLU 41 6.201 0.403 -6.985 327 HB2 GLU 41 HB2 GLU 41 7.701 -0.813 -8.488 328 HB3 GLU 41 HB3 GLU 41 8.866 0.519 -8.428 329 HG2 GLU 41 HG2 GLU 41 9.242 0.111 -6.034 330 HG3 GLU 41 HG3 GLU 41 8.002 -1.158 -6.052 331 H ALA 42 H ALA 42 8.379 3.048 -8.170 332 HA ALA 42 HA ALA 42 9.035 4.025 -5.569 333 HB1 ALA 42 HB1 ALA 42 9.749 6.062 -6.789 334 HB2 ALA 42 HB2 ALA 42 10.316 4.587 -7.586 335 HB3 ALA 42 HB3 ALA 42 8.927 5.479 -8.253 336 H LYS 43 H LYS 43 6.272 4.725 -7.664 337 HA LYS 43 HA LYS 43 5.168 6.921 -6.100 338 HB2 LYS 43 HB2 LYS 43 3.661 5.064 -7.973 339 HB3 LYS 43 HB3 LYS 43 3.198 6.683 -7.435 340 HG2 LYS 43 HG2 LYS 43 5.308 7.518 -8.598 341 HG3 LYS 43 HG3 LYS 43 5.463 5.891 -9.293 342 HD2 LYS 43 HD2 LYS 43 3.152 6.172 -10.298 343 HD3 LYS 43 HD3 LYS 43 3.152 7.839 -9.675 344 HE2 LYS 43 HE2 LYS 43 5.387 8.138 -10.919 345 HE3 LYS 43 HE3 LYS 43 5.044 6.609 -11.736 346 HZ1 LYS 43 HZ1 LYS 43 4.300 8.576 -12.994 347 HZ2 LYS 43 HZ2 LYS 43 3.356 9.047 -11.769 348 HZ3 LYS 43 HZ3 LYS 43 2.974 7.675 -12.603 349 H PHE 44 H PHE 44 4.640 3.409 -6.255 350 HA PHE 44 HA PHE 44 2.675 3.326 -4.201 351 HB2 PHE 44 HB2 PHE 44 3.109 1.520 -5.852 352 HB3 PHE 44 HB3 PHE 44 4.625 1.152 -5.038 353 HD1 PHE 44 HD1 PHE 44 0.928 1.460 -4.422 354 HD2 PHE 44 HD2 PHE 44 4.628 -0.409 -3.230 355 HE1 PHE 44 HE1 PHE 44 -0.311 0.011 -2.827 356 HE2 PHE 44 HE2 PHE 44 3.383 -1.872 -1.664 357 HZ PHE 44 HZ PHE 44 0.902 -1.681 -1.483 358 H ILE 45 H ILE 45 6.257 3.221 -4.000 359 HA ILE 45 HA ILE 45 6.359 2.837 -1.165 360 HB ILE 45 HB ILE 45 8.341 4.007 -3.132 361 HG12 ILE 45 HG12 ILE 45 8.392 1.419 -1.510 362 HG13 ILE 45 HG13 ILE 45 7.696 1.505 -3.115 363 HG21 ILE 45 HG21 ILE 45 8.770 3.462 -0.155 364 HG22 ILE 45 HG22 ILE 45 10.048 3.863 -1.325 365 HG23 ILE 45 HG23 ILE 45 8.823 5.055 -0.947 366 HD11 ILE 45 HD11 ILE 45 9.921 0.629 -3.309 367 HD12 ILE 45 HD12 ILE 45 9.900 2.250 -4.034 368 HD13 ILE 45 HD13 ILE 45 10.616 1.993 -2.422 369 H ASN 46 H ASN 46 6.325 6.037 -2.996 370 HA ASN 46 HA ASN 46 6.255 7.420 -0.451 371 HB2 ASN 46 HB2 ASN 46 5.867 9.443 -1.567 372 HB3 ASN 46 HB3 ASN 46 7.064 8.536 -2.469 373 HD21 ASN 46 HD21 ASN 46 3.571 9.523 -2.484 374 HD22 ASN 46 HD22 ASN 46 3.422 9.317 -4.221 375 H TYR 47 H TYR 47 3.613 6.155 -2.490 376 HA TYR 47 HA TYR 47 1.475 7.171 -0.912 377 HB2 TYR 47 HB2 TYR 47 1.140 6.188 -3.102 378 HB3 TYR 47 HB3 TYR 47 1.714 4.620 -2.535 379 HD1 TYR 47 HD2 TYR 47 -1.023 7.130 -2.215 380 HD2 TYR 47 HD1 TYR 47 0.281 3.110 -1.328 381 HE1 TYR 47 HE2 TYR 47 -3.299 6.580 -1.378 382 HE2 TYR 47 HE1 TYR 47 -2.017 2.570 -0.487 383 HH TYR 47 HH TYR 47 -4.663 4.955 -0.482 384 H VAL 48 H VAL 48 3.359 4.117 -0.475 385 HA VAL 48 HA VAL 48 1.980 3.228 1.874 386 HB VAL 48 HB VAL 48 4.729 2.668 0.720 387 HG11 VAL 48 HG11 VAL 48 4.960 0.825 2.388 388 HG12 VAL 48 HG12 VAL 48 5.109 2.423 3.110 389 HG13 VAL 48 HG13 VAL 48 3.594 1.507 3.306 390 HG21 VAL 48 HG21 VAL 48 2.646 1.666 -0.312 391 HG22 VAL 48 HG22 VAL 48 3.766 0.461 0.325 392 HG23 VAL 48 HG23 VAL 48 2.303 0.887 1.242 393 H LYS 49 H LYS 49 4.839 5.386 1.560 394 HA LYS 49 HA LYS 49 5.190 5.765 4.394 395 HB2 LYS 49 HB2 LYS 49 5.958 7.454 1.983 396 HB3 LYS 49 HB3 LYS 49 6.429 7.847 3.642 397 HG2 LYS 49 HG2 LYS 49 7.601 5.744 3.906 398 HG3 LYS 49 HG3 LYS 49 7.077 5.183 2.314 399 HD2 LYS 49 HD2 LYS 49 8.289 7.080 1.265 400 HD3 LYS 49 HD3 LYS 49 8.906 7.561 2.868 401 HE2 LYS 49 HE2 LYS 49 9.965 5.318 3.119 402 HE3 LYS 49 HE3 LYS 49 9.305 4.839 1.554 403 HZ1 LYS 49 HZ1 LYS 49 11.428 6.813 2.074 404 HZ2 LYS 49 HZ2 LYS 49 10.596 6.824 0.651 405 HZ3 LYS 49 HZ3 LYS 49 11.476 5.509 1.086 406 H ASN 50 H ASN 50 3.069 7.421 2.092 407 HA ASN 50 HA ASN 50 1.964 9.286 4.024 408 HB2 ASN 50 HB2 ASN 50 1.803 9.894 1.769 409 HB3 ASN 50 HB3 ASN 50 1.294 8.306 1.241 410 HD21 ASN 50 HD21 ASN 50 -0.888 7.730 1.284 411 HD22 ASN 50 HD22 ASN 50 -2.125 8.942 1.583 412 H CYS 51 H CYS 51 1.152 5.909 3.217 413 HA CYS 51 HA CYS 51 -1.333 5.922 4.766 414 HB2 CYS 51 HB2 CYS 51 0.334 3.656 3.584 415 HB3 CYS 51 HB3 CYS 51 -1.246 3.467 4.371 416 HG CYS 51 HG CYS 51 -0.435 5.191 1.661 417 H PHE 52 H PHE 52 2.019 4.840 5.419 418 HA PHE 52 HA PHE 52 1.492 5.219 8.253 419 HB2 PHE 52 HB2 PHE 52 0.737 2.880 7.953 420 HB3 PHE 52 HB3 PHE 52 2.291 2.443 7.285 421 HD1 PHE 52 HD2 PHE 52 1.392 4.533 10.339 422 HD2 PHE 52 HD1 PHE 52 3.252 0.935 8.826 423 HE1 PHE 52 HE2 PHE 52 2.007 3.874 12.636 424 HE2 PHE 52 HE1 PHE 52 3.819 0.267 11.136 425 HZ PHE 52 HZ PHE 52 3.180 1.722 13.043 426 H ARG 53 H ARG 53 4.110 3.183 7.025 427 HA ARG 53 HA ARG 53 5.991 5.344 6.648 428 HB2 ARG 53 HB2 ARG 53 5.725 5.138 9.220 429 HB3 ARG 53 HB3 ARG 53 6.587 3.623 9.107 430 HG2 ARG 53 HG2 ARG 53 8.538 4.754 8.161 431 HG3 ARG 53 HG3 ARG 53 7.612 6.258 7.995 432 HD2 ARG 53 HD2 ARG 53 7.325 6.179 10.561 433 HD3 ARG 53 HD3 ARG 53 8.557 4.914 10.549 434 HE ARG 53 HE ARG 53 10.204 6.493 9.975 435 HH11 ARG 53 HH11 ARG 53 7.040 8.089 9.712 436 HH12 ARG 53 HH12 ARG 53 7.763 9.652 9.545 437 HH21 ARG 53 HH21 ARG 53 11.007 8.594 9.666 438 HH22 ARG 53 HH22 ARG 53 9.885 9.912 9.500 439 H MET 54 H MET 54 6.606 2.100 7.920 440 HA MET 54 HA MET 54 7.619 0.294 7.196 441 HB2 MET 54 HB2 MET 54 6.771 1.010 4.377 442 HB3 MET 54 HB3 MET 54 7.369 -0.551 4.929 443 HG2 MET 54 HG2 MET 54 4.802 0.797 5.826 444 HG3 MET 54 HG3 MET 54 4.947 -0.589 4.745 445 HE1 MET 54 HE1 MET 54 3.172 -2.113 6.381 446 HE2 MET 54 HE2 MET 54 3.273 -1.839 8.135 447 HE3 MET 54 HE3 MET 54 3.021 -0.466 7.038 448 H THR 55 H THR 55 9.544 -0.323 7.113 449 HA THR 55 HA THR 55 11.611 0.984 5.370 450 HB THR 55 HB THR 55 13.239 0.081 7.067 451 HG1 THR 55 HG1 THR 55 12.326 -0.437 9.108 452 HG21 THR 55 HG21 THR 55 12.863 1.845 8.712 453 HG22 THR 55 HG22 THR 55 11.186 2.052 8.161 454 HG23 THR 55 HG23 THR 55 12.537 2.456 7.086 455 H ASP 56 H ASP 56 10.099 -2.051 6.326 456 HA ASP 56 HA ASP 56 12.095 -3.813 5.166 457 HB2 ASP 56 HB2 ASP 56 9.174 -4.273 5.879 458 HB3 ASP 56 HB3 ASP 56 10.321 -5.528 5.415 459 H GLN 57 H GLN 57 12.489 -3.932 2.997 460 HA GLN 57 HA GLN 57 10.541 -3.356 0.944 461 HB2 GLN 57 HB2 GLN 57 12.907 -3.128 0.551 462 HB3 GLN 57 HB3 GLN 57 13.165 -4.833 0.890 463 HG2 GLN 57 HG2 GLN 57 13.256 -4.387 -1.514 464 HG3 GLN 57 HG3 GLN 57 11.930 -5.469 -1.124 465 HE21 GLN 57 HE21 GLN 57 9.820 -4.822 -1.601 466 HE22 GLN 57 HE22 GLN 57 9.518 -3.444 -2.658 467 H GLU 58 H GLU 58 11.245 -6.210 2.866 468 HA GLU 58 HA GLU 58 9.621 -8.150 1.560 469 HB2 GLU 58 HB2 GLU 58 11.082 -8.653 3.472 470 HB3 GLU 58 HB3 GLU 58 10.154 -7.568 4.495 471 HG2 GLU 58 HG2 GLU 58 9.454 -9.660 5.158 472 HG3 GLU 58 HG3 GLU 58 8.132 -9.124 4.141 473 H ALA 59 H ALA 59 8.627 -5.642 4.019 474 HA ALA 59 HA ALA 59 5.832 -6.425 3.828 475 HB1 ALA 59 HB1 ALA 59 5.378 -4.450 5.153 476 HB2 ALA 59 HB2 ALA 59 6.735 -5.357 5.858 477 HB3 ALA 59 HB3 ALA 59 7.037 -3.860 4.931 478 H ILE 60 H ILE 60 7.846 -3.909 2.254 479 HA ILE 60 HA ILE 60 5.718 -2.565 0.897 480 HB ILE 60 HB ILE 60 8.637 -2.916 0.206 481 HG12 ILE 60 HG12 ILE 60 7.205 -0.458 1.300 482 HG13 ILE 60 HG13 ILE 60 7.932 -1.669 2.344 483 HG21 ILE 60 HG21 ILE 60 8.403 -1.012 -1.363 484 HG22 ILE 60 HG22 ILE 60 7.407 -2.349 -1.883 485 HG23 ILE 60 HG23 ILE 60 6.650 -0.967 -1.062 486 HD11 ILE 60 HD11 ILE 60 9.500 0.131 2.098 487 HD12 ILE 60 HD12 ILE 60 10.147 -1.286 1.253 488 HD13 ILE 60 HD13 ILE 60 9.428 0.048 0.330 489 H GLN 61 H GLN 61 7.742 -5.367 -0.258 490 HA GLN 61 HA GLN 61 6.246 -5.504 -2.723 491 HB2 GLN 61 HB2 GLN 61 7.478 -7.452 -3.256 492 HB3 GLN 61 HB3 GLN 61 8.553 -6.296 -2.505 493 HG2 GLN 61 HG2 GLN 61 9.213 -8.310 -1.553 494 HG3 GLN 61 HG3 GLN 61 8.219 -7.583 -0.319 495 HE21 GLN 61 HE21 GLN 61 7.938 -9.828 0.610 496 HE22 GLN 61 HE22 GLN 61 6.758 -10.870 -0.156 497 H ASP 62 H ASP 62 5.828 -7.128 0.429 498 HA ASP 62 HA ASP 62 3.716 -8.896 -0.312 499 HB2 ASP 62 HB2 ASP 62 5.166 -8.772 1.799 500 HB3 ASP 62 HB3 ASP 62 4.093 -7.505 2.376 501 H LEU 63 H LEU 63 3.638 -5.538 0.956 502 HA LEU 63 HA LEU 63 0.834 -5.087 0.759 503 HB2 LEU 63 HB2 LEU 63 3.291 -3.322 0.717 504 HB3 LEU 63 HB3 LEU 63 1.681 -2.627 0.559 505 HG LEU 63 HG LEU 63 2.505 -4.347 2.943 506 HD11 LEU 63 HD11 LEU 63 2.708 -2.203 4.156 507 HD12 LEU 63 HD12 LEU 63 2.430 -1.306 2.645 508 HD13 LEU 63 HD13 LEU 63 3.888 -2.304 2.843 509 HD21 LEU 63 HD21 LEU 63 0.198 -2.424 2.502 510 HD22 LEU 63 HD22 LEU 63 0.549 -3.313 4.005 511 HD23 LEU 63 HD23 LEU 63 0.070 -4.181 2.542 512 H TRP 64 H TRP 64 3.443 -4.705 -1.668 513 HA TRP 64 HA TRP 64 1.784 -3.533 -3.679 514 HB2 TRP 64 HB2 TRP 64 4.330 -3.543 -3.417 515 HB3 TRP 64 HB3 TRP 64 4.310 -5.148 -4.123 516 HD1 TRP 64 HD1 TRP 64 2.400 -1.979 -5.313 517 HE1 TRP 64 HE1 TRP 64 3.306 -1.293 -7.644 518 HE3 TRP 64 HE3 TRP 64 6.216 -5.367 -5.801 519 HZ2 TRP 64 HZ2 TRP 64 5.330 -2.092 -9.450 520 HZ3 TRP 64 HZ3 TRP 64 7.677 -5.316 -7.808 521 HH2 TRP 64 HH2 TRP 64 7.244 -3.696 -9.639 522 H GLN 65 H GLN 65 2.531 -6.971 -2.953 523 HA GLN 65 HA GLN 65 0.931 -7.982 -5.165 524 HB2 GLN 65 HB2 GLN 65 1.610 -9.406 -2.576 525 HB3 GLN 65 HB3 GLN 65 0.974 -10.122 -4.050 526 HG2 GLN 65 HG2 GLN 65 3.752 -9.348 -3.360 527 HG3 GLN 65 HG3 GLN 65 3.161 -10.720 -4.279 528 HE21 GLN 65 HE21 GLN 65 4.572 -7.617 -4.420 529 HE22 GLN 65 HE22 GLN 65 4.545 -7.423 -6.179 530 H TRP 66 H TRP 66 0.176 -7.109 -1.764 531 HA TRP 66 HA TRP 66 -2.614 -7.852 -1.955 532 HB2 TRP 66 HB2 TRP 66 -1.302 -7.510 0.143 533 HB3 TRP 66 HB3 TRP 66 -1.295 -5.779 -0.178 534 HD1 TRP 66 HD1 TRP 66 -3.116 -4.517 1.019 535 HE1 TRP 66 HE1 TRP 66 -5.336 -5.097 2.201 536 HE3 TRP 66 HE3 TRP 66 -3.572 -9.412 -0.424 537 HZ2 TRP 66 HZ2 TRP 66 -7.083 -7.374 2.464 538 HZ3 TRP 66 HZ3 TRP 66 -5.539 -10.738 0.256 539 HH2 TRP 66 HH2 TRP 66 -7.321 -9.728 1.682 540 H ARG 67 H ARG 67 -0.856 -5.164 -3.227 541 HA ARG 67 HA ARG 67 -3.320 -3.775 -4.080 542 HB2 ARG 67 HB2 ARG 67 -1.297 -2.571 -3.231 543 HB3 ARG 67 HB3 ARG 67 -0.413 -3.066 -4.666 544 HG2 ARG 67 HG2 ARG 67 -3.052 -1.723 -5.146 545 HG3 ARG 67 HG3 ARG 67 -1.830 -0.728 -4.376 546 HD2 ARG 67 HD2 ARG 67 -0.280 -0.971 -6.165 547 HD3 ARG 67 HD3 ARG 67 -1.225 -2.228 -6.950 548 HE ARG 67 HE ARG 67 -1.644 0.654 -7.056 549 HH11 ARG 67 HH11 ARG 67 -3.212 -2.466 -7.629 550 HH12 ARG 67 HH12 ARG 67 -4.398 -1.714 -8.690 551 HH21 ARG 67 HH21 ARG 67 -3.467 1.497 -8.222 552 HH22 ARG 67 HH22 ARG 67 -4.544 0.349 -8.968 553 H LYS 68 H LYS 68 -1.784 -6.498 -5.185 554 HA LYS 68 HA LYS 68 -2.818 -6.022 -7.968 555 HB2 LYS 68 HB2 LYS 68 -0.363 -6.479 -7.796 556 HB3 LYS 68 HB3 LYS 68 -0.738 -8.080 -7.141 557 HG2 LYS 68 HG2 LYS 68 -2.018 -8.603 -9.214 558 HG3 LYS 68 HG3 LYS 68 -1.676 -6.987 -9.837 559 HD2 LYS 68 HD2 LYS 68 0.754 -7.514 -9.868 560 HD3 LYS 68 HD3 LYS 68 0.403 -9.139 -9.234 561 HE2 LYS 68 HE2 LYS 68 -1.049 -9.587 -11.211 562 HE3 LYS 68 HE3 LYS 68 -0.680 -7.973 -11.833 563 HZ1 LYS 68 HZ1 LYS 68 1.650 -8.618 -11.974 564 HZ2 LYS 68 HZ2 LYS 68 0.729 -9.628 -12.882 565 HZ3 LYS 68 HZ3 LYS 68 1.294 -10.135 -11.432 566 H SER 69 H SER 69 -2.720 -8.515 -5.387 567 HA SER 69 HA SER 69 -4.722 -10.182 -6.653 568 HB2 SER 69 HB2 SER 69 -3.518 -10.292 -3.869 569 HB3 SER 69 HB3 SER 69 -4.533 -11.546 -4.616 570 HG SER 69 HG SER 69 -2.311 -12.005 -4.878 571 H LEU 70 H LEU 70 -5.990 -8.000 -6.736 572 HA LEU 70 HA LEU 70 -7.562 -7.274 -4.378 573 HB2 LEU 70 HB2 LEU 70 -7.437 -6.213 -7.235 574 HB3 LEU 70 HB3 LEU 70 -8.388 -5.486 -5.956 575 HG LEU 70 HG LEU 70 -5.353 -5.733 -5.840 576 HD11 LEU 70 HD11 LEU 70 -7.163 -3.433 -6.663 577 HD12 LEU 70 HD12 LEU 70 -5.999 -4.299 -7.689 578 HD13 LEU 70 HD13 LEU 70 -5.418 -3.296 -6.353 579 HD21 LEU 70 HD21 LEU 70 -6.350 -5.534 -3.631 580 HD22 LEU 70 HD22 LEU 70 -7.403 -4.208 -4.176 581 HD23 LEU 70 HD23 LEU 70 -5.643 -3.977 -4.071 Start of MODEL 19 1 H GLN 1 H1 GLN 1 -42.711 22.252 15.794 2 HA GLN 1 HA GLN 1 -45.164 21.058 16.871 3 HB2 GLN 1 HB2 GLN 1 -45.470 23.063 15.414 4 HB3 GLN 1 HB3 GLN 1 -44.747 22.170 14.070 5 HG2 GLN 1 HG2 GLN 1 -46.559 20.529 14.123 6 HG3 GLN 1 HG3 GLN 1 -47.178 21.198 15.631 7 HE21 GLN 1 HE21 GLN 1 -48.331 23.251 15.600 8 HE22 GLN 1 HE22 GLN 1 -49.107 23.718 14.096 9 H GLU 2 H GLU 2 -42.782 20.588 14.144 10 HA GLU 2 HA GLU 2 -43.438 17.984 13.480 11 HB2 GLU 2 HB2 GLU 2 -40.622 19.152 13.645 12 HB3 GLU 2 HB3 GLU 2 -41.116 17.726 12.742 13 HG2 GLU 2 HG2 GLU 2 -41.118 19.214 11.046 14 HG3 GLU 2 HG3 GLU 2 -42.794 19.381 11.536 15 H SER 3 H SER 3 -42.982 15.921 14.070 16 HA SER 3 HA SER 3 -42.195 15.463 16.874 17 HB2 SER 3 HB2 SER 3 -43.262 13.536 14.797 18 HB3 SER 3 HB3 SER 3 -43.024 13.197 16.522 19 HG SER 3 HG SER 3 -44.494 14.891 16.989 20 H PHE 4 H PHE 4 -39.962 16.326 15.868 21 HA PHE 4 HA PHE 4 -38.197 13.959 15.826 22 HB2 PHE 4 HB2 PHE 4 -38.732 14.619 13.410 23 HB3 PHE 4 HB3 PHE 4 -37.957 16.168 13.765 24 HD1 PHE 4 HD2 PHE 4 -37.405 12.518 13.326 25 HD2 PHE 4 HD1 PHE 4 -35.522 16.356 13.912 26 HE1 PHE 4 HE2 PHE 4 -35.203 11.528 12.752 27 HE2 PHE 4 HE1 PHE 4 -33.321 15.360 13.343 28 HZ PHE 4 HZ PHE 4 -33.153 12.949 12.764 29 H LYS 5 H LYS 5 -36.185 14.364 16.681 30 HA LYS 5 HA LYS 5 -35.087 17.068 16.803 31 HB2 LYS 5 HB2 LYS 5 -36.538 17.072 18.778 32 HB3 LYS 5 HB3 LYS 5 -35.697 15.666 19.440 33 HG2 LYS 5 HG2 LYS 5 -33.632 16.939 19.686 34 HG3 LYS 5 HG3 LYS 5 -34.324 18.310 18.789 35 HD2 LYS 5 HD2 LYS 5 -35.968 18.705 20.563 36 HD3 LYS 5 HD3 LYS 5 -35.442 17.255 21.426 37 HE2 LYS 5 HE2 LYS 5 -34.555 19.276 22.477 38 HE3 LYS 5 HE3 LYS 5 -33.253 18.242 21.877 39 HZ1 LYS 5 HZ1 LYS 5 -32.930 19.708 20.034 40 HZ2 LYS 5 HZ2 LYS 5 -32.968 20.632 21.375 41 HZ3 LYS 5 HZ3 LYS 5 -34.281 20.588 20.363 42 H LYS 6 H LYS 6 -34.631 13.767 18.154 43 HA LYS 6 HA LYS 6 -31.903 13.760 16.953 44 HB2 LYS 6 HB2 LYS 6 -30.916 12.709 18.864 45 HB3 LYS 6 HB3 LYS 6 -31.583 14.275 19.313 46 HG2 LYS 6 HG2 LYS 6 -33.491 13.198 20.426 47 HG3 LYS 6 HG3 LYS 6 -32.975 11.609 19.841 48 HD2 LYS 6 HD2 LYS 6 -30.803 11.912 21.101 49 HD3 LYS 6 HD3 LYS 6 -31.474 13.395 21.807 50 HE2 LYS 6 HE2 LYS 6 -33.340 12.072 22.787 51 HE3 LYS 6 HE3 LYS 6 -32.697 10.605 22.018 52 HZ1 LYS 6 HZ1 LYS 6 -31.972 10.684 24.282 53 HZ2 LYS 6 HZ2 LYS 6 -31.315 12.190 24.120 54 HZ3 LYS 6 HZ3 LYS 6 -30.652 10.919 23.342 55 H GLN 7 H GLN 7 -30.953 11.816 16.442 56 HA GLN 7 HA GLN 7 -32.554 9.353 16.391 57 HB2 GLN 7 HB2 GLN 7 -33.298 10.735 14.429 58 HB3 GLN 7 HB3 GLN 7 -31.633 10.772 13.848 59 HG2 GLN 7 HG2 GLN 7 -31.688 8.302 13.651 60 HG3 GLN 7 HG3 GLN 7 -33.366 8.283 14.221 61 HE21 GLN 7 HE21 GLN 7 -31.249 9.576 11.618 62 HE22 GLN 7 HE22 GLN 7 -32.521 9.573 10.384 63 H GLU 8 H GLU 8 -31.239 7.482 15.984 64 HA GLU 8 HA GLU 8 -28.350 7.981 16.550 65 HB2 GLU 8 HB2 GLU 8 -29.920 7.194 18.388 66 HB3 GLU 8 HB3 GLU 8 -30.030 5.654 17.537 67 HG2 GLU 8 HG2 GLU 8 -27.625 5.284 17.860 68 HG3 GLU 8 HG3 GLU 8 -27.416 6.925 18.472 69 H LYS 9 H LYS 9 -29.430 7.620 13.834 70 HA LYS 9 HA LYS 9 -28.749 4.857 13.025 71 HB2 LYS 9 HB2 LYS 9 -29.853 7.207 11.449 72 HB3 LYS 9 HB3 LYS 9 -29.674 5.579 10.829 73 HG2 LYS 9 HG2 LYS 9 -31.449 6.243 13.207 74 HG3 LYS 9 HG3 LYS 9 -31.983 6.249 11.526 75 HD2 LYS 9 HD2 LYS 9 -31.285 3.824 11.392 76 HD3 LYS 9 HD3 LYS 9 -30.994 3.869 13.150 77 HE2 LYS 9 HE2 LYS 9 -33.327 4.553 13.554 78 HE3 LYS 9 HE3 LYS 9 -33.609 4.692 11.807 79 HZ1 LYS 9 HZ1 LYS 9 -33.149 2.311 11.628 80 HZ2 LYS 9 HZ2 LYS 9 -34.475 2.618 12.530 81 HZ3 LYS 9 HZ3 LYS 9 -33.064 2.182 13.278 82 H THR 10 H THR 10 -26.692 7.224 13.638 83 HA THR 10 HA THR 10 -25.182 7.269 11.146 84 HB THR 10 HB THR 10 -23.554 8.637 12.631 85 HG1 THR 10 HG1 THR 10 -24.364 8.173 14.658 86 HG21 THR 10 HG21 THR 10 -26.385 9.639 12.115 87 HG22 THR 10 HG22 THR 10 -25.059 9.598 10.932 88 HG23 THR 10 HG23 THR 10 -24.935 10.643 12.350 89 HA PRO 11 HA PRO 11 -22.150 4.094 11.814 90 HB2 PRO 11 HB2 PRO 11 -20.089 6.232 11.247 91 HB3 PRO 11 HB3 PRO 11 -20.227 4.590 10.552 92 HG2 PRO 11 HG2 PRO 11 -21.039 6.699 9.103 93 HG3 PRO 11 HG3 PRO 11 -22.079 5.238 9.180 94 HD2 PRO 11 HD2 PRO 11 -22.339 7.799 10.770 95 HD3 PRO 11 HD3 PRO 11 -23.592 6.868 9.892 96 H LYS 12 H LYS 12 -20.405 3.347 13.284 97 HA LYS 12 HA LYS 12 -19.694 5.187 15.504 98 HB2 LYS 12 HB2 LYS 12 -20.650 3.788 17.225 99 HB3 LYS 12 HB3 LYS 12 -21.885 4.370 16.146 100 HG2 LYS 12 HG2 LYS 12 -20.667 1.620 15.688 101 HG3 LYS 12 HG3 LYS 12 -21.803 1.850 16.994 102 HD2 LYS 12 HD2 LYS 12 -22.415 2.359 14.054 103 HD3 LYS 12 HD3 LYS 12 -22.899 0.965 15.021 104 HE2 LYS 12 HE2 LYS 12 -24.110 2.591 16.574 105 HE3 LYS 12 HE3 LYS 12 -23.792 3.858 15.372 106 HZ1 LYS 12 HZ1 LYS 12 -25.966 2.824 15.009 107 HZ2 LYS 12 HZ2 LYS 12 -25.282 1.351 14.871 108 HZ3 LYS 12 HZ3 LYS 12 -24.980 2.520 13.737 109 H THR 13 H THR 13 -18.113 3.402 13.481 110 HA THR 13 HA THR 13 -16.319 2.219 15.568 111 HB THR 13 HB THR 13 -15.842 0.361 13.920 112 HG1 THR 13 HG1 THR 13 -18.441 1.041 13.029 113 HG21 THR 13 HG21 THR 13 -16.957 -0.054 16.021 114 HG22 THR 13 HG22 THR 13 -17.652 -1.041 14.726 115 HG23 THR 13 HG23 THR 13 -18.530 0.393 15.316 116 HA PRO 14 HA PRO 14 -13.526 4.633 12.839 117 HB2 PRO 14 HB2 PRO 14 -12.152 5.944 14.801 118 HB3 PRO 14 HB3 PRO 14 -13.685 6.546 14.098 119 HG2 PRO 14 HG2 PRO 14 -13.302 5.001 16.681 120 HG3 PRO 14 HG3 PRO 14 -14.271 6.482 16.408 121 HD2 PRO 14 HD2 PRO 14 -15.374 3.981 16.426 122 HD3 PRO 14 HD3 PRO 14 -15.994 5.276 15.362 123 H LYS 15 H LYS 15 -11.945 3.391 12.150 124 HA LYS 15 HA LYS 15 -10.331 1.676 14.001 125 HB2 LYS 15 HB2 LYS 15 -11.840 0.900 11.491 126 HB3 LYS 15 HB3 LYS 15 -10.275 0.170 11.803 127 HG2 LYS 15 HG2 LYS 15 -11.681 -1.370 12.716 128 HG3 LYS 15 HG3 LYS 15 -11.105 -0.473 14.110 129 HD2 LYS 15 HD2 LYS 15 -13.316 0.814 14.079 130 HD3 LYS 15 HD3 LYS 15 -13.822 -0.224 12.736 131 HE2 LYS 15 HE2 LYS 15 -14.728 -1.285 14.645 132 HE3 LYS 15 HE3 LYS 15 -13.274 -2.217 14.272 133 HZ1 LYS 15 HZ1 LYS 15 -13.317 -1.710 16.627 134 HZ2 LYS 15 HZ2 LYS 15 -13.549 -0.121 16.361 135 HZ3 LYS 15 HZ3 LYS 15 -12.114 -0.798 15.963 136 H GLY 16 H GLY 16 -8.230 1.412 13.618 137 HA2 GLY 16 HA2 GLY 16 -6.822 1.918 11.189 138 HA3 GLY 16 HA3 GLY 16 -6.740 3.371 12.188 139 HA PRO 17 HA PRO 17 -4.648 -0.307 14.651 140 HB2 PRO 17 HB2 PRO 17 -3.612 -1.795 12.235 141 HB3 PRO 17 HB3 PRO 17 -4.055 -2.439 13.845 142 HG2 PRO 17 HG2 PRO 17 -5.791 -2.686 11.793 143 HG3 PRO 17 HG3 PRO 17 -6.397 -2.144 13.394 144 HD2 PRO 17 HD2 PRO 17 -5.719 -0.454 10.971 145 HD3 PRO 17 HD3 PRO 17 -7.146 -0.381 12.041 146 H SER 18 H SER 18 -2.307 -1.033 14.927 147 HA SER 18 HA SER 18 -0.481 1.162 14.169 148 HB2 SER 18 HB2 SER 18 0.729 0.402 16.253 149 HB3 SER 18 HB3 SER 18 -0.895 1.044 16.480 150 HG SER 18 HG SER 18 -0.148 -1.714 16.435 151 H SER 19 H SER 19 -0.798 -1.059 12.255 152 HA SER 19 HA SER 19 2.015 -1.860 11.981 153 HB2 SER 19 HB2 SER 19 0.746 -3.514 13.568 154 HB3 SER 19 HB3 SER 19 -0.031 -4.088 12.098 155 HG SER 19 HG SER 19 2.526 -4.354 13.048 156 H VAL 20 H VAL 20 2.024 -3.653 10.065 157 HA VAL 20 HA VAL 20 1.231 -2.404 7.635 158 HB VAL 20 HB VAL 20 1.917 -5.298 8.254 159 HG11 VAL 20 HG11 VAL 20 0.758 -5.341 6.137 160 HG12 VAL 20 HG12 VAL 20 1.690 -3.946 5.535 161 HG13 VAL 20 HG13 VAL 20 2.483 -5.513 5.832 162 HG21 VAL 20 HG21 VAL 20 4.121 -4.702 7.339 163 HG22 VAL 20 HG22 VAL 20 3.579 -3.036 7.060 164 HG23 VAL 20 HG23 VAL 20 3.733 -3.678 8.714 165 H GLU 21 H GLU 21 -0.583 -4.741 9.633 166 HA GLU 21 HA GLU 21 -2.678 -5.234 7.846 167 HB2 GLU 21 HB2 GLU 21 -3.967 -5.923 9.689 168 HB3 GLU 21 HB3 GLU 21 -2.299 -6.363 10.027 169 HG2 GLU 21 HG2 GLU 21 -2.086 -4.435 11.549 170 HG3 GLU 21 HG3 GLU 21 -3.725 -3.911 11.153 171 H ASP 22 H ASP 22 -2.043 -2.178 9.466 172 HA ASP 22 HA ASP 22 -4.657 -0.941 9.036 173 HB2 ASP 22 HB2 ASP 22 -2.970 -0.144 10.707 174 HB3 ASP 22 HB3 ASP 22 -1.871 0.257 9.388 175 H ILE 23 H ILE 23 -1.645 -1.332 7.176 176 HA ILE 23 HA ILE 23 -2.416 0.517 5.064 177 HB ILE 23 HB ILE 23 -0.408 -1.787 4.938 178 HG12 ILE 23 HG12 ILE 23 0.219 1.120 5.569 179 HG13 ILE 23 HG13 ILE 23 0.075 -0.126 6.813 180 HG21 ILE 23 HG21 ILE 23 -0.683 0.728 3.240 181 HG22 ILE 23 HG22 ILE 23 0.594 -0.496 3.080 182 HG23 ILE 23 HG23 ILE 23 -1.072 -0.932 2.731 183 HD11 ILE 23 HD11 ILE 23 2.400 0.102 6.382 184 HD12 ILE 23 HD12 ILE 23 1.890 -1.437 5.671 185 HD13 ILE 23 HD13 ILE 23 2.170 -0.021 4.638 186 H LYS 24 H LYS 24 -2.506 -3.018 5.516 187 HA LYS 24 HA LYS 24 -3.947 -3.749 3.125 188 HB2 LYS 24 HB2 LYS 24 -3.585 -4.920 5.886 189 HB3 LYS 24 HB3 LYS 24 -4.920 -5.511 4.912 190 HG2 LYS 24 HG2 LYS 24 -2.977 -6.929 4.690 191 HG3 LYS 24 HG3 LYS 24 -3.507 -6.219 3.165 192 HD2 LYS 24 HD2 LYS 24 -1.680 -4.633 3.184 193 HD3 LYS 24 HD3 LYS 24 -1.162 -5.132 4.784 194 HE2 LYS 24 HE2 LYS 24 -1.084 -6.831 2.236 195 HE3 LYS 24 HE3 LYS 24 0.294 -6.015 2.988 196 HZ1 LYS 24 HZ1 LYS 24 -0.320 -7.460 5.016 197 HZ2 LYS 24 HZ2 LYS 24 0.450 -8.200 3.731 198 HZ3 LYS 24 HZ3 LYS 24 -1.178 -8.355 3.985 199 H ALA 25 H ALA 25 -5.347 -3.074 6.386 200 HA ALA 25 HA ALA 25 -7.991 -3.300 5.487 201 HB1 ALA 25 HB1 ALA 25 -6.855 -1.720 7.826 202 HB2 ALA 25 HB2 ALA 25 -8.550 -2.243 7.639 203 HB3 ALA 25 HB3 ALA 25 -7.257 -3.453 7.801 204 H LYS 26 H LYS 26 -6.028 -0.254 5.673 205 HA LYS 26 HA LYS 26 -8.235 1.376 4.717 206 HB2 LYS 26 HB2 LYS 26 -5.288 1.866 5.131 207 HB3 LYS 26 HB3 LYS 26 -6.237 2.999 4.184 208 HG2 LYS 26 HG2 LYS 26 -6.189 3.818 6.427 209 HG3 LYS 26 HG3 LYS 26 -7.830 3.295 6.050 210 HD2 LYS 26 HD2 LYS 26 -7.357 1.173 7.331 211 HD3 LYS 26 HD3 LYS 26 -5.771 1.810 7.727 212 HE2 LYS 26 HE2 LYS 26 -8.259 3.426 8.321 213 HE3 LYS 26 HE3 LYS 26 -7.705 2.157 9.424 214 HZ1 LYS 26 HZ1 LYS 26 -5.601 3.231 9.600 215 HZ2 LYS 26 HZ2 LYS 26 -6.760 4.327 10.001 216 HZ3 LYS 26 HZ3 LYS 26 -6.013 4.427 8.535 217 H MET 27 H MET 27 -5.636 -0.354 2.946 218 HA MET 27 HA MET 27 -6.441 0.748 0.370 219 HB2 MET 27 HB2 MET 27 -4.859 -1.722 1.155 220 HB3 MET 27 HB3 MET 27 -5.276 -1.324 -0.519 221 HG2 MET 27 HG2 MET 27 -4.188 0.899 -0.254 222 HG3 MET 27 HG3 MET 27 -3.643 0.418 1.354 223 HE1 MET 27 HE1 MET 27 -1.758 1.523 -0.948 224 HE2 MET 27 HE2 MET 27 -1.188 1.058 0.670 225 HE3 MET 27 HE3 MET 27 -0.360 0.439 -0.777 226 H GLN 28 H GLN 28 -7.445 -2.196 2.194 227 HA GLN 28 HA GLN 28 -9.173 -3.122 0.084 228 HB2 GLN 28 HB2 GLN 28 -9.330 -3.690 3.066 229 HB3 GLN 28 HB3 GLN 28 -10.140 -4.580 1.791 230 HG2 GLN 28 HG2 GLN 28 -7.498 -4.983 2.889 231 HG3 GLN 28 HG3 GLN 28 -8.441 -6.016 1.849 232 HE21 GLN 28 HE21 GLN 28 -8.346 -5.360 -0.615 233 HE22 GLN 28 HE22 GLN 28 -6.731 -4.890 -1.152 234 H ALA 29 H ALA 29 -9.802 -0.977 2.894 235 HA ALA 29 HA ALA 29 -12.544 -0.435 2.292 236 HB1 ALA 29 HB1 ALA 29 -10.426 1.315 3.614 237 HB2 ALA 29 HB2 ALA 29 -12.182 1.561 3.683 238 HB3 ALA 29 HB3 ALA 29 -11.460 0.124 4.434 239 H SER 30 H SER 30 -9.517 1.163 1.057 240 HA SER 30 HA SER 30 -10.849 3.014 -0.650 241 HB2 SER 30 HB2 SER 30 -8.128 1.688 -0.799 242 HB3 SER 30 HB3 SER 30 -8.686 2.845 -2.013 243 HG SER 30 HG SER 30 -7.507 3.613 0.032 244 H ILE 31 H ILE 31 -10.021 -0.426 -1.304 245 HA ILE 31 HA ILE 31 -11.152 -0.417 -3.963 246 HB ILE 31 HB ILE 31 -10.552 -2.636 -1.980 247 HG12 ILE 31 HG12 ILE 31 -9.246 -1.695 -4.573 248 HG13 ILE 31 HG13 ILE 31 -8.663 -1.362 -2.945 249 HG21 ILE 31 HG21 ILE 31 -12.379 -3.485 -3.386 250 HG22 ILE 31 HG22 ILE 31 -11.521 -2.958 -4.854 251 HG23 ILE 31 HG23 ILE 31 -10.878 -4.261 -3.830 252 HD11 ILE 31 HD11 ILE 31 -7.303 -3.103 -3.796 253 HD12 ILE 31 HD12 ILE 31 -8.387 -3.849 -2.603 254 HD13 ILE 31 HD13 ILE 31 -8.692 -4.048 -4.345 255 H GLU 32 H GLU 32 -12.707 -0.460 -0.810 256 HA GLU 32 HA GLU 32 -15.328 -1.099 -2.043 257 HB2 GLU 32 HB2 GLU 32 -14.595 -0.287 0.793 258 HB3 GLU 32 HB3 GLU 32 -16.224 -0.641 0.236 259 HG2 GLU 32 HG2 GLU 32 -13.875 -2.554 0.312 260 HG3 GLU 32 HG3 GLU 32 -15.286 -2.552 1.380 261 H LYS 33 H LYS 33 -13.545 1.824 -1.204 262 HA LYS 33 HA LYS 33 -16.011 3.482 -1.666 263 HB2 LYS 33 HB2 LYS 33 -13.806 3.787 0.420 264 HB3 LYS 33 HB3 LYS 33 -15.188 4.860 0.242 265 HG2 LYS 33 HG2 LYS 33 -15.358 1.911 1.007 266 HG3 LYS 33 HG3 LYS 33 -15.448 3.261 2.117 267 HD2 LYS 33 HD2 LYS 33 -17.492 4.091 0.985 268 HD3 LYS 33 HD3 LYS 33 -17.416 2.743 -0.157 269 HE2 LYS 33 HE2 LYS 33 -17.588 1.129 1.729 270 HE3 LYS 33 HE3 LYS 33 -17.728 2.480 2.858 271 HZ1 LYS 33 HZ1 LYS 33 -19.907 1.592 2.194 272 HZ2 LYS 33 HZ2 LYS 33 -19.602 1.946 0.618 273 HZ3 LYS 33 HZ3 LYS 33 -19.758 3.160 1.704 274 H GLY 34 H GLY 34 -12.843 3.229 -2.881 275 HA2 GLY 34 HA2 GLY 34 -12.725 4.809 -4.887 276 HA3 GLY 34 HA3 GLY 34 -12.831 6.117 -3.711 277 H GLY 35 H GLY 35 -11.079 6.189 -2.004 278 HA2 GLY 35 HA2 GLY 35 -8.840 6.283 -1.415 279 HA3 GLY 35 HA3 GLY 35 -8.526 4.906 -2.463 280 H SER 36 H SER 36 -6.506 6.049 -2.838 281 HA SER 36 HA SER 36 -6.630 7.750 -5.248 282 HB2 SER 36 HB2 SER 36 -6.638 9.190 -3.106 283 HB3 SER 36 HB3 SER 36 -4.966 8.650 -2.878 284 HG SER 36 HG SER 36 -4.473 10.153 -4.201 285 H LEU 37 H LEU 37 -5.844 5.023 -5.103 286 HA LEU 37 HA LEU 37 -3.067 4.743 -4.460 287 HB2 LEU 37 HB2 LEU 37 -5.094 2.989 -5.867 288 HB3 LEU 37 HB3 LEU 37 -3.392 2.570 -5.909 289 HG LEU 37 HG LEU 37 -3.299 2.557 -3.430 290 HD11 LEU 37 HD11 LEU 37 -5.393 2.360 -2.138 291 HD12 LEU 37 HD12 LEU 37 -6.340 2.737 -3.592 292 HD13 LEU 37 HD13 LEU 37 -5.266 3.958 -2.873 293 HD21 LEU 37 HD21 LEU 37 -4.436 0.399 -3.186 294 HD22 LEU 37 HD22 LEU 37 -3.613 0.493 -4.753 295 HD23 LEU 37 HD23 LEU 37 -5.375 0.704 -4.664 296 HA PRO 38 HA PRO 38 -1.274 5.733 -8.555 297 HB2 PRO 38 HB2 PRO 38 1.332 5.395 -8.002 298 HB3 PRO 38 HB3 PRO 38 0.401 6.737 -7.258 299 HG2 PRO 38 HG2 PRO 38 0.996 4.002 -6.086 300 HG3 PRO 38 HG3 PRO 38 1.293 5.607 -5.331 301 HD2 PRO 38 HD2 PRO 38 -0.949 4.109 -4.825 302 HD3 PRO 38 HD3 PRO 38 -0.995 5.900 -4.869 303 H LYS 39 H LYS 39 0.161 4.534 -10.130 304 HA LYS 39 HA LYS 39 -0.501 1.614 -10.050 305 HB2 LYS 39 HB2 LYS 39 -1.427 3.134 -11.827 306 HB3 LYS 39 HB3 LYS 39 0.217 3.314 -12.462 307 HG2 LYS 39 HG2 LYS 39 0.319 0.878 -12.900 308 HG3 LYS 39 HG3 LYS 39 -1.237 0.653 -12.092 309 HD2 LYS 39 HD2 LYS 39 -1.584 0.547 -14.467 310 HD3 LYS 39 HD3 LYS 39 -2.350 2.020 -13.854 311 HE2 LYS 39 HE2 LYS 39 -0.380 3.349 -14.622 312 HE3 LYS 39 HE3 LYS 39 0.398 1.863 -15.180 313 HZ1 LYS 39 HZ1 LYS 39 -1.478 1.577 -16.742 314 HZ2 LYS 39 HZ2 LYS 39 -0.618 2.942 -17.009 315 HZ3 LYS 39 HZ3 LYS 39 -2.112 3.007 -16.286 316 H VAL 40 H VAL 40 2.305 3.736 -10.477 317 HA VAL 40 HA VAL 40 4.025 1.430 -11.140 318 HB VAL 40 HB VAL 40 4.135 3.430 -12.499 319 HG11 VAL 40 HG11 VAL 40 3.795 5.168 -10.786 320 HG12 VAL 40 HG12 VAL 40 5.410 4.819 -10.117 321 HG13 VAL 40 HG13 VAL 40 5.238 5.462 -11.763 322 HG21 VAL 40 HG21 VAL 40 6.754 2.898 -11.036 323 HG22 VAL 40 HG22 VAL 40 6.079 1.897 -12.345 324 HG23 VAL 40 HG23 VAL 40 6.566 3.567 -12.659 325 H GLU 41 H GLU 41 5.701 0.661 -10.023 326 HA GLU 41 HA GLU 41 5.492 0.337 -7.325 327 HB2 GLU 41 HB2 GLU 41 7.710 -0.720 -7.422 328 HB3 GLU 41 HB3 GLU 41 6.622 -1.180 -8.723 329 HG2 GLU 41 HG2 GLU 41 7.897 0.673 -10.115 330 HG3 GLU 41 HG3 GLU 41 9.128 0.504 -8.866 331 H ALA 42 H ALA 42 7.967 2.698 -8.670 332 HA ALA 42 HA ALA 42 8.919 3.427 -6.112 333 HB1 ALA 42 HB1 ALA 42 9.806 5.426 -7.260 334 HB2 ALA 42 HB2 ALA 42 10.041 3.966 -8.234 335 HB3 ALA 42 HB3 ALA 42 8.749 5.110 -8.653 336 H LYS 43 H LYS 43 6.151 4.775 -7.901 337 HA LYS 43 HA LYS 43 5.563 6.885 -5.951 338 HB2 LYS 43 HB2 LYS 43 3.872 5.682 -8.189 339 HB3 LYS 43 HB3 LYS 43 3.403 7.062 -7.185 340 HG2 LYS 43 HG2 LYS 43 5.470 8.262 -7.917 341 HG3 LYS 43 HG3 LYS 43 5.819 6.913 -9.018 342 HD2 LYS 43 HD2 LYS 43 3.523 7.322 -10.065 343 HD3 LYS 43 HD3 LYS 43 3.419 8.788 -9.079 344 HE2 LYS 43 HE2 LYS 43 5.452 9.683 -10.152 345 HE3 LYS 43 HE3 LYS 43 5.649 8.183 -11.082 346 HZ1 LYS 43 HZ1 LYS 43 3.523 8.651 -12.165 347 HZ2 LYS 43 HZ2 LYS 43 4.546 9.924 -12.381 348 HZ3 LYS 43 HZ3 LYS 43 3.327 10.016 -11.292 349 H PHE 44 H PHE 44 4.464 3.559 -6.520 350 HA PHE 44 HA PHE 44 2.434 3.546 -4.544 351 HB2 PHE 44 HB2 PHE 44 2.534 1.839 -6.257 352 HB3 PHE 44 HB3 PHE 44 4.137 1.340 -5.753 353 HD1 PHE 44 HD1 PHE 44 0.557 1.388 -4.696 354 HD2 PHE 44 HD2 PHE 44 4.470 -0.320 -4.069 355 HE1 PHE 44 HE1 PHE 44 -0.428 -0.330 -3.198 356 HE2 PHE 44 HE2 PHE 44 3.483 -2.038 -2.581 357 HZ PHE 44 HZ PHE 44 1.030 -2.051 -2.143 358 H ILE 45 H ILE 45 5.924 2.678 -4.300 359 HA ILE 45 HA ILE 45 5.986 2.138 -1.504 360 HB ILE 45 HB ILE 45 8.063 3.170 -3.461 361 HG12 ILE 45 HG12 ILE 45 7.791 0.467 -2.078 362 HG13 ILE 45 HG13 ILE 45 7.074 0.801 -3.645 363 HG21 ILE 45 HG21 ILE 45 9.785 2.595 -1.733 364 HG22 ILE 45 HG22 ILE 45 8.792 3.963 -1.278 365 HG23 ILE 45 HG23 ILE 45 8.484 2.363 -0.547 366 HD11 ILE 45 HD11 ILE 45 9.140 -0.350 -4.011 367 HD12 ILE 45 HD12 ILE 45 9.338 1.322 -4.570 368 HD13 ILE 45 HD13 ILE 45 10.050 0.798 -3.022 369 H ASN 46 H ASN 46 6.416 5.316 -3.192 370 HA ASN 46 HA ASN 46 6.606 6.886 -0.816 371 HB2 ASN 46 HB2 ASN 46 7.078 8.281 -2.513 372 HB3 ASN 46 HB3 ASN 46 6.167 7.355 -3.690 373 HD21 ASN 46 HD21 ASN 46 3.888 7.782 -3.966 374 HD22 ASN 46 HD22 ASN 46 3.220 9.318 -3.443 375 H TYR 47 H TYR 47 3.657 5.785 -2.535 376 HA TYR 47 HA TYR 47 1.825 7.243 -0.887 377 HB2 TYR 47 HB2 TYR 47 1.324 6.503 -3.150 378 HB3 TYR 47 HB3 TYR 47 1.436 4.815 -2.669 379 HD1 TYR 47 HD1 TYR 47 -0.505 7.973 -2.094 380 HD2 TYR 47 HD2 TYR 47 -0.482 3.668 -1.833 381 HE1 TYR 47 HE1 TYR 47 -2.944 7.989 -1.600 382 HE2 TYR 47 HE2 TYR 47 -2.931 3.697 -1.338 383 HH TYR 47 HH TYR 47 -4.765 6.744 -0.998 384 H VAL 48 H VAL 48 2.925 3.830 -0.756 385 HA VAL 48 HA VAL 48 1.493 2.971 1.555 386 HB VAL 48 HB VAL 48 4.196 2.191 0.391 387 HG11 VAL 48 HG11 VAL 48 4.117 0.190 1.888 388 HG12 VAL 48 HG12 VAL 48 4.378 1.679 2.787 389 HG13 VAL 48 HG13 VAL 48 2.764 0.950 2.772 390 HG21 VAL 48 HG21 VAL 48 1.549 0.682 0.592 391 HG22 VAL 48 HG22 VAL 48 2.100 1.554 -0.855 392 HG23 VAL 48 HG23 VAL 48 3.012 0.161 -0.271 393 H LYS 49 H LYS 49 4.768 4.523 1.380 394 HA LYS 49 HA LYS 49 4.984 4.592 4.259 395 HB2 LYS 49 HB2 LYS 49 6.553 5.978 2.054 396 HB3 LYS 49 HB3 LYS 49 6.936 6.129 3.775 397 HG2 LYS 49 HG2 LYS 49 7.009 3.610 3.938 398 HG3 LYS 49 HG3 LYS 49 6.875 3.526 2.183 399 HD2 LYS 49 HD2 LYS 49 9.105 4.916 3.727 400 HD3 LYS 49 HD3 LYS 49 9.185 3.286 3.049 401 HE2 LYS 49 HE2 LYS 49 8.804 4.221 0.776 402 HE3 LYS 49 HE3 LYS 49 8.831 5.861 1.446 403 HZ1 LYS 49 HZ1 LYS 49 11.037 5.048 0.545 404 HZ2 LYS 49 HZ2 LYS 49 11.087 3.955 1.757 405 HZ3 LYS 49 HZ3 LYS 49 11.106 5.545 2.111 406 H ASN 50 H ASN 50 3.380 6.769 2.092 407 HA ASN 50 HA ASN 50 2.827 8.783 4.144 408 HB2 ASN 50 HB2 ASN 50 2.522 9.746 2.118 409 HB3 ASN 50 HB3 ASN 50 2.043 8.265 1.320 410 HD21 ASN 50 HD21 ASN 50 -0.164 7.527 1.473 411 HD22 ASN 50 HD22 ASN 50 -1.425 8.712 1.806 412 H CYS 51 H CYS 51 1.004 5.872 2.946 413 HA CYS 51 HA CYS 51 -1.239 6.193 4.653 414 HB2 CYS 51 HB2 CYS 51 0.020 3.688 3.457 415 HB3 CYS 51 HB3 CYS 51 -1.571 3.738 4.231 416 HG CYS 51 HG CYS 51 -2.793 5.211 2.601 417 H PHE 52 H PHE 52 1.771 4.273 5.262 418 HA PHE 52 HA PHE 52 1.520 4.820 8.101 419 HB2 PHE 52 HB2 PHE 52 0.039 2.749 7.647 420 HB3 PHE 52 HB3 PHE 52 1.544 1.921 7.283 421 HD1 PHE 52 HD2 PHE 52 -0.448 3.571 9.946 422 HD2 PHE 52 HD1 PHE 52 3.028 1.197 9.051 423 HE1 PHE 52 HE2 PHE 52 -0.135 3.116 12.370 424 HE2 PHE 52 HE1 PHE 52 3.351 0.750 11.476 425 HZ PHE 52 HZ PHE 52 1.795 1.738 13.137 426 H ARG 53 H ARG 53 3.466 4.312 9.293 427 HA ARG 53 HA ARG 53 5.795 4.765 7.604 428 HB2 ARG 53 HB2 ARG 53 5.093 6.028 9.671 429 HB3 ARG 53 HB3 ARG 53 5.586 4.632 10.632 430 HG2 ARG 53 HG2 ARG 53 7.916 4.879 9.722 431 HG3 ARG 53 HG3 ARG 53 7.388 6.304 8.816 432 HD2 ARG 53 HD2 ARG 53 7.260 5.989 11.846 433 HD3 ARG 53 HD3 ARG 53 8.509 6.881 10.972 434 HE ARG 53 HE ARG 53 6.547 8.305 10.056 435 HH11 ARG 53 HH11 ARG 53 6.323 6.969 13.351 436 HH12 ARG 53 HH12 ARG 53 5.487 8.436 13.846 437 HH21 ARG 53 HH21 ARG 53 5.285 9.798 10.747 438 HH22 ARG 53 HH22 ARG 53 4.611 9.780 12.375 439 H MET 54 H MET 54 5.915 2.705 6.579 440 HA MET 54 HA MET 54 7.396 0.637 8.171 441 HB2 MET 54 HB2 MET 54 5.013 0.295 6.348 442 HB3 MET 54 HB3 MET 54 6.199 -1.005 6.500 443 HG2 MET 54 HG2 MET 54 5.019 0.273 8.969 444 HG3 MET 54 HG3 MET 54 4.147 -0.990 8.102 445 HE1 MET 54 HE1 MET 54 5.411 -0.771 11.236 446 HE2 MET 54 HE2 MET 54 4.216 -1.986 10.724 447 HE3 MET 54 HE3 MET 54 5.734 -2.495 11.499 448 H THR 55 H THR 55 9.375 0.893 7.524 449 HA THR 55 HA THR 55 10.087 1.146 4.652 450 HB THR 55 HB THR 55 12.345 1.677 5.479 451 HG1 THR 55 HG1 THR 55 11.152 1.639 8.057 452 HG21 THR 55 HG21 THR 55 10.712 3.514 5.189 453 HG22 THR 55 HG22 THR 55 11.868 3.837 6.489 454 HG23 THR 55 HG23 THR 55 10.211 3.336 6.885 455 H ASP 56 H ASP 56 9.512 -1.460 6.555 456 HA ASP 56 HA ASP 56 11.824 -3.133 6.115 457 HB2 ASP 56 HB2 ASP 56 8.907 -3.808 6.649 458 HB3 ASP 56 HB3 ASP 56 10.194 -5.009 6.549 459 H GLN 57 H GLN 57 12.575 -3.781 4.206 460 HA GLN 57 HA GLN 57 11.179 -3.571 1.776 461 HB2 GLN 57 HB2 GLN 57 13.664 -3.685 2.118 462 HB3 GLN 57 HB3 GLN 57 13.512 -5.420 2.407 463 HG2 GLN 57 HG2 GLN 57 14.231 -4.973 0.107 464 HG3 GLN 57 HG3 GLN 57 12.641 -5.730 0.107 465 HE21 GLN 57 HE21 GLN 57 10.835 -4.529 -0.669 466 HE22 GLN 57 HE22 GLN 57 11.049 -2.957 -1.438 467 H GLU 58 H GLU 58 11.315 -6.359 3.999 468 HA GLU 58 HA GLU 58 10.017 -8.206 2.229 469 HB2 GLU 58 HB2 GLU 58 9.516 -9.542 4.186 470 HB3 GLU 58 HB3 GLU 58 11.205 -9.055 4.105 471 HG2 GLU 58 HG2 GLU 58 10.891 -7.400 5.866 472 HG3 GLU 58 HG3 GLU 58 9.148 -7.693 5.889 473 H ALA 59 H ALA 59 8.609 -5.703 4.381 474 HA ALA 59 HA ALA 59 5.881 -6.729 3.937 475 HB1 ALA 59 HB1 ALA 59 6.830 -4.142 5.223 476 HB2 ALA 59 HB2 ALA 59 5.165 -4.767 5.175 477 HB3 ALA 59 HB3 ALA 59 6.418 -5.657 6.075 478 H ILE 60 H ILE 60 7.974 -4.146 2.656 479 HA ILE 60 HA ILE 60 6.079 -2.864 0.940 480 HB ILE 60 HB ILE 60 9.075 -3.265 0.815 481 HG12 ILE 60 HG12 ILE 60 7.423 -0.762 1.372 482 HG13 ILE 60 HG13 ILE 60 8.008 -1.846 2.632 483 HG21 ILE 60 HG21 ILE 60 9.099 -1.471 -0.967 484 HG22 ILE 60 HG22 ILE 60 8.362 -2.962 -1.525 485 HG23 ILE 60 HG23 ILE 60 7.330 -1.598 -1.061 486 HD11 ILE 60 HD11 ILE 60 10.355 -1.477 1.825 487 HD12 ILE 60 HD12 ILE 60 9.729 -0.199 0.752 488 HD13 ILE 60 HD13 ILE 60 9.555 -0.042 2.506 489 H GLN 61 H GLN 61 8.239 -5.690 0.281 490 HA GLN 61 HA GLN 61 6.986 -6.109 -2.296 491 HB2 GLN 61 HB2 GLN 61 8.387 -7.970 -2.565 492 HB3 GLN 61 HB3 GLN 61 9.310 -6.712 -1.768 493 HG2 GLN 61 HG2 GLN 61 9.975 -8.641 -0.652 494 HG3 GLN 61 HG3 GLN 61 8.822 -7.885 0.425 495 HE21 GLN 61 HE21 GLN 61 7.639 -9.521 1.436 496 HE22 GLN 61 HE22 GLN 61 6.970 -10.908 0.616 497 H ASP 62 H ASP 62 6.238 -7.437 0.978 498 HA ASP 62 HA ASP 62 4.362 -9.389 0.119 499 HB2 ASP 62 HB2 ASP 62 5.100 -9.100 2.490 500 HB3 ASP 62 HB3 ASP 62 4.178 -7.604 2.592 501 H LEU 63 H LEU 63 3.909 -5.951 0.883 502 HA LEU 63 HA LEU 63 1.170 -5.670 0.306 503 HB2 LEU 63 HB2 LEU 63 3.584 -3.861 0.356 504 HB3 LEU 63 HB3 LEU 63 2.061 -3.205 -0.229 505 HG LEU 63 HG LEU 63 2.261 -4.590 2.476 506 HD11 LEU 63 HD11 LEU 63 2.566 -1.623 1.848 507 HD12 LEU 63 HD12 LEU 63 3.855 -2.695 2.435 508 HD13 LEU 63 HD13 LEU 63 2.465 -2.350 3.471 509 HD21 LEU 63 HD21 LEU 63 0.250 -3.259 2.945 510 HD22 LEU 63 HD22 LEU 63 -0.018 -4.235 1.484 511 HD23 LEU 63 HD23 LEU 63 0.335 -2.510 1.337 512 H TRP 64 H TRP 64 4.004 -5.079 -1.851 513 HA TRP 64 HA TRP 64 2.491 -4.329 -4.127 514 HB2 TRP 64 HB2 TRP 64 4.970 -4.007 -3.644 515 HB3 TRP 64 HB3 TRP 64 5.214 -5.679 -4.113 516 HD1 TRP 64 HD1 TRP 64 3.061 -3.004 -5.939 517 HE1 TRP 64 HE1 TRP 64 3.983 -2.644 -8.307 518 HE3 TRP 64 HE3 TRP 64 7.187 -6.033 -5.673 519 HZ2 TRP 64 HZ2 TRP 64 6.240 -3.513 -9.858 520 HZ3 TRP 64 HZ3 TRP 64 8.747 -6.199 -7.607 521 HH2 TRP 64 HH2 TRP 64 8.273 -4.949 -9.705 522 H GLN 65 H GLN 65 3.772 -7.594 -3.265 523 HA GLN 65 HA GLN 65 2.602 -8.904 -5.545 524 HB2 GLN 65 HB2 GLN 65 3.785 -9.779 -2.915 525 HB3 GLN 65 HB3 GLN 65 2.806 -10.928 -3.808 526 HG2 GLN 65 HG2 GLN 65 5.187 -11.148 -4.380 527 HG3 GLN 65 HG3 GLN 65 4.178 -10.781 -5.772 528 HE21 GLN 65 HE21 GLN 65 6.581 -9.352 -3.527 529 HE22 GLN 65 HE22 GLN 65 7.112 -8.159 -4.712 530 H TRP 66 H TRP 66 1.206 -8.135 -2.324 531 HA TRP 66 HA TRP 66 -1.278 -9.519 -2.962 532 HB2 TRP 66 HB2 TRP 66 -0.139 -8.562 -0.625 533 HB3 TRP 66 HB3 TRP 66 -1.451 -7.444 -0.884 534 HD1 TRP 66 HD1 TRP 66 -3.723 -9.377 -1.875 535 HE1 TRP 66 HE1 TRP 66 -4.707 -11.195 -0.368 536 HE3 TRP 66 HE3 TRP 66 0.163 -9.883 1.441 537 HZ2 TRP 66 HZ2 TRP 66 -3.928 -12.675 1.975 538 HZ3 TRP 66 HZ3 TRP 66 0.016 -11.532 3.282 539 HH2 TRP 66 HH2 TRP 66 -2.007 -12.941 3.555 540 H ARG 67 H ARG 67 -0.033 -6.615 -4.208 541 HA ARG 67 HA ARG 67 -2.791 -5.768 -5.079 542 HB2 ARG 67 HB2 ARG 67 -0.126 -4.391 -5.567 543 HB3 ARG 67 HB3 ARG 67 -1.706 -3.819 -6.073 544 HG2 ARG 67 HG2 ARG 67 -0.652 -3.963 -3.228 545 HG3 ARG 67 HG3 ARG 67 -0.970 -2.549 -4.208 546 HD2 ARG 67 HD2 ARG 67 -2.734 -2.593 -2.707 547 HD3 ARG 67 HD3 ARG 67 -3.435 -3.220 -4.199 548 HE ARG 67 HE ARG 67 -3.056 -5.539 -3.192 549 HH11 ARG 67 HH11 ARG 67 -3.442 -2.903 -0.874 550 HH12 ARG 67 HH12 ARG 67 -4.369 -3.969 0.178 551 HH21 ARG 67 HH21 ARG 67 -3.971 -6.772 -1.696 552 HH22 ARG 67 HH22 ARG 67 -4.431 -6.123 -0.143 553 H LYS 68 H LYS 68 0.070 -7.402 -6.276 554 HA LYS 68 HA LYS 68 -0.924 -7.545 -9.037 555 HB2 LYS 68 HB2 LYS 68 1.148 -9.207 -7.551 556 HB3 LYS 68 HB3 LYS 68 0.811 -9.323 -9.282 557 HG2 LYS 68 HG2 LYS 68 1.505 -6.994 -9.635 558 HG3 LYS 68 HG3 LYS 68 1.768 -6.782 -7.896 559 HD2 LYS 68 HD2 LYS 68 3.427 -8.711 -8.012 560 HD3 LYS 68 HD3 LYS 68 3.314 -8.606 -9.781 561 HE2 LYS 68 HE2 LYS 68 4.094 -6.286 -9.736 562 HE3 LYS 68 HE3 LYS 68 3.999 -6.257 -7.967 563 HZ1 LYS 68 HZ1 LYS 68 5.712 -7.990 -7.907 564 HZ2 LYS 68 HZ2 LYS 68 6.263 -6.632 -8.631 565 HZ3 LYS 68 HZ3 LYS 68 5.873 -7.943 -9.544 566 H SER 69 H SER 69 -1.417 -9.486 -6.143 567 HA SER 69 HA SER 69 -3.750 -10.680 -7.528 568 HB2 SER 69 HB2 SER 69 -2.011 -12.434 -7.556 569 HB3 SER 69 HB3 SER 69 -1.896 -12.335 -5.787 570 HG SER 69 HG SER 69 -3.299 -13.987 -6.451 571 H LEU 70 H LEU 70 -5.262 -9.584 -6.524 572 HA LEU 70 HA LEU 70 -5.272 -8.756 -3.753 573 HB2 LEU 70 HB2 LEU 70 -7.402 -8.905 -5.931 574 HB3 LEU 70 HB3 LEU 70 -7.708 -8.213 -4.348 575 HG LEU 70 HG LEU 70 -5.589 -7.130 -6.248 576 HD11 LEU 70 HD11 LEU 70 -7.226 -5.343 -6.704 577 HD12 LEU 70 HD12 LEU 70 -8.432 -6.175 -5.698 578 HD13 LEU 70 HD13 LEU 70 -7.858 -6.918 -7.206 579 HD21 LEU 70 HD21 LEU 70 -5.733 -5.135 -4.786 580 HD22 LEU 70 HD22 LEU 70 -5.222 -6.561 -3.869 581 HD23 LEU 70 HD23 LEU 70 -6.893 -5.988 -3.735 Start of MODEL 20 1 H GLN 1 H1 GLN 1 -42.032 -6.269 29.202 2 HA GLN 1 HA GLN 1 -42.634 -4.529 27.737 3 HB2 GLN 1 HB2 GLN 1 -41.141 -2.950 26.859 4 HB3 GLN 1 HB3 GLN 1 -41.076 -2.805 28.604 5 HG2 GLN 1 HG2 GLN 1 -38.953 -4.138 26.840 6 HG3 GLN 1 HG3 GLN 1 -38.874 -2.517 27.511 7 HE21 GLN 1 HE21 GLN 1 -38.435 -5.950 28.264 8 HE22 GLN 1 HE22 GLN 1 -37.964 -5.653 29.934 9 H GLU 2 H GLU 2 -42.721 -5.102 25.608 10 HA GLU 2 HA GLU 2 -41.119 -7.381 24.621 11 HB2 GLU 2 HB2 GLU 2 -43.484 -7.072 24.026 12 HB3 GLU 2 HB3 GLU 2 -43.138 -5.529 23.262 13 HG2 GLU 2 HG2 GLU 2 -41.886 -8.164 22.384 14 HG3 GLU 2 HG3 GLU 2 -43.430 -7.605 21.768 15 H SER 3 H SER 3 -41.421 -3.889 24.029 16 HA SER 3 HA SER 3 -38.699 -3.777 22.838 17 HB2 SER 3 HB2 SER 3 -39.788 -1.895 21.370 18 HB3 SER 3 HB3 SER 3 -39.882 -3.596 20.905 19 HG SER 3 HG SER 3 -41.917 -3.723 21.363 20 H PHE 4 H PHE 4 -37.447 -2.108 23.375 21 HA PHE 4 HA PHE 4 -38.183 -0.701 25.837 22 HB2 PHE 4 HB2 PHE 4 -35.599 -0.980 24.267 23 HB3 PHE 4 HB3 PHE 4 -35.751 -0.029 25.732 24 HD1 PHE 4 HD1 PHE 4 -35.839 -3.504 24.386 25 HD2 PHE 4 HD2 PHE 4 -35.846 -1.041 27.926 26 HE1 PHE 4 HE1 PHE 4 -35.413 -5.508 25.785 27 HE2 PHE 4 HE2 PHE 4 -35.393 -3.043 29.317 28 HZ PHE 4 HZ PHE 4 -35.189 -5.285 28.250 29 H LYS 5 H LYS 5 -37.735 1.517 26.225 30 HA LYS 5 HA LYS 5 -38.918 3.303 24.258 31 HB2 LYS 5 HB2 LYS 5 -37.959 3.656 27.117 32 HB3 LYS 5 HB3 LYS 5 -38.759 4.929 26.177 33 HG2 LYS 5 HG2 LYS 5 -40.763 3.585 25.912 34 HG3 LYS 5 HG3 LYS 5 -40.010 2.185 26.682 35 HD2 LYS 5 HD2 LYS 5 -39.904 3.319 28.829 36 HD3 LYS 5 HD3 LYS 5 -40.414 4.845 28.090 37 HE2 LYS 5 HE2 LYS 5 -42.340 3.941 29.164 38 HE3 LYS 5 HE3 LYS 5 -42.571 3.802 27.423 39 HZ1 LYS 5 HZ1 LYS 5 -41.830 1.571 29.250 40 HZ2 LYS 5 HZ2 LYS 5 -41.948 1.428 27.613 41 HZ3 LYS 5 HZ3 LYS 5 -43.268 1.832 28.489 42 H LYS 6 H LYS 6 -37.060 2.719 22.852 43 HA LYS 6 HA LYS 6 -35.123 4.952 22.583 44 HB2 LYS 6 HB2 LYS 6 -33.224 3.405 22.302 45 HB3 LYS 6 HB3 LYS 6 -33.928 3.322 23.900 46 HG2 LYS 6 HG2 LYS 6 -33.509 1.112 23.456 47 HG3 LYS 6 HG3 LYS 6 -35.216 1.219 23.072 48 HD2 LYS 6 HD2 LYS 6 -34.629 1.345 20.629 49 HD3 LYS 6 HD3 LYS 6 -32.910 1.238 21.069 50 HE2 LYS 6 HE2 LYS 6 -33.373 -0.966 22.156 51 HE3 LYS 6 HE3 LYS 6 -35.071 -0.840 21.661 52 HZ1 LYS 6 HZ1 LYS 6 -32.740 -0.944 19.813 53 HZ2 LYS 6 HZ2 LYS 6 -34.298 -0.747 19.349 54 HZ3 LYS 6 HZ3 LYS 6 -33.862 -2.146 20.036 55 H GLN 7 H GLN 7 -33.874 4.670 20.430 56 HA GLN 7 HA GLN 7 -35.543 3.362 18.306 57 HB2 GLN 7 HB2 GLN 7 -34.240 6.107 18.267 58 HB3 GLN 7 HB3 GLN 7 -34.766 5.255 16.814 59 HG2 GLN 7 HG2 GLN 7 -37.089 5.212 17.609 60 HG3 GLN 7 HG3 GLN 7 -36.616 6.018 19.111 61 HE21 GLN 7 HE21 GLN 7 -35.792 8.246 18.978 62 HE22 GLN 7 HE22 GLN 7 -36.154 9.218 17.550 63 H GLU 8 H GLU 8 -32.238 4.679 18.987 64 HA GLU 8 HA GLU 8 -31.045 2.257 17.797 65 HB2 GLU 8 HB2 GLU 8 -30.384 5.037 16.717 66 HB3 GLU 8 HB3 GLU 8 -29.466 3.565 16.417 67 HG2 GLU 8 HG2 GLU 8 -31.602 2.583 15.393 68 HG3 GLU 8 HG3 GLU 8 -32.250 4.229 15.414 69 H LYS 9 H LYS 9 -28.915 1.838 18.493 70 HA LYS 9 HA LYS 9 -28.049 3.165 20.947 71 HB2 LYS 9 HB2 LYS 9 -26.752 0.948 19.308 72 HB3 LYS 9 HB3 LYS 9 -26.181 1.535 20.869 73 HG2 LYS 9 HG2 LYS 9 -28.517 0.962 21.791 74 HG3 LYS 9 HG3 LYS 9 -28.767 0.053 20.295 75 HD2 LYS 9 HD2 LYS 9 -26.672 -1.257 20.813 76 HD3 LYS 9 HD3 LYS 9 -26.543 -0.366 22.344 77 HE2 LYS 9 HE2 LYS 9 -28.867 -1.215 22.924 78 HE3 LYS 9 HE3 LYS 9 -28.791 -2.225 21.473 79 HZ1 LYS 9 HZ1 LYS 9 -26.776 -3.266 22.447 80 HZ2 LYS 9 HZ2 LYS 9 -28.122 -3.503 23.358 81 HZ3 LYS 9 HZ3 LYS 9 -27.011 -2.377 23.831 82 H THR 10 H THR 10 -27.409 3.928 17.690 83 HA THR 10 HA THR 10 -25.856 5.226 16.625 84 HB THR 10 HB THR 10 -25.523 7.436 17.634 85 HG1 THR 10 HG1 THR 10 -25.470 6.467 19.833 86 HG21 THR 10 HG21 THR 10 -27.857 8.072 17.756 87 HG22 THR 10 HG22 THR 10 -28.358 6.398 18.057 88 HG23 THR 10 HG23 THR 10 -27.663 6.853 16.483 89 HA PRO 11 HA PRO 11 -22.028 3.757 18.910 90 HB2 PRO 11 HB2 PRO 11 -21.181 1.768 17.268 91 HB3 PRO 11 HB3 PRO 11 -22.486 1.511 18.468 92 HG2 PRO 11 HG2 PRO 11 -22.771 2.161 15.507 93 HG3 PRO 11 HG3 PRO 11 -23.559 0.835 16.426 94 HD2 PRO 11 HD2 PRO 11 -24.811 3.211 15.964 95 HD3 PRO 11 HD3 PRO 11 -25.026 2.318 17.499 96 H LYS 12 H LYS 12 -19.760 3.773 18.188 97 HA LYS 12 HA LYS 12 -19.191 5.182 15.604 98 HB2 LYS 12 HB2 LYS 12 -18.014 5.900 18.330 99 HB3 LYS 12 HB3 LYS 12 -17.396 6.439 16.772 100 HG2 LYS 12 HG2 LYS 12 -18.701 8.244 17.195 101 HG3 LYS 12 HG3 LYS 12 -19.901 7.247 16.383 102 HD2 LYS 12 HD2 LYS 12 -20.522 6.444 18.834 103 HD3 LYS 12 HD3 LYS 12 -19.581 7.857 19.342 104 HE2 LYS 12 HE2 LYS 12 -21.018 9.252 17.775 105 HE3 LYS 12 HE3 LYS 12 -21.978 7.793 17.463 106 HZ1 LYS 12 HZ1 LYS 12 -21.708 9.203 20.062 107 HZ2 LYS 12 HZ2 LYS 12 -22.427 7.723 19.890 108 HZ3 LYS 12 HZ3 LYS 12 -23.040 9.072 19.131 109 H THR 13 H THR 13 -18.229 3.700 14.452 110 HA THR 13 HA THR 13 -16.594 1.590 15.783 111 HB THR 13 HB THR 13 -18.211 1.351 13.232 112 HG1 THR 13 HG1 THR 13 -19.668 1.795 14.694 113 HG21 THR 13 HG21 THR 13 -16.537 -0.449 13.614 114 HG22 THR 13 HG22 THR 13 -18.188 -1.040 13.770 115 HG23 THR 13 HG23 THR 13 -17.217 -0.732 15.227 116 HA PRO 14 HA PRO 14 -13.415 2.900 12.710 117 HB2 PRO 14 HB2 PRO 14 -11.416 3.711 14.319 118 HB3 PRO 14 HB3 PRO 14 -12.784 4.796 13.914 119 HG2 PRO 14 HG2 PRO 14 -12.412 3.113 16.420 120 HG3 PRO 14 HG3 PRO 14 -12.870 4.839 16.314 121 HD2 PRO 14 HD2 PRO 14 -14.694 2.776 16.577 122 HD3 PRO 14 HD3 PRO 14 -15.066 4.322 15.752 123 H LYS 15 H LYS 15 -11.662 1.532 12.187 124 HA LYS 15 HA LYS 15 -10.713 -0.466 14.185 125 HB2 LYS 15 HB2 LYS 15 -11.655 -1.195 11.377 126 HB3 LYS 15 HB3 LYS 15 -10.649 -2.213 12.396 127 HG2 LYS 15 HG2 LYS 15 -12.603 -3.146 12.996 128 HG3 LYS 15 HG3 LYS 15 -12.597 -1.866 14.180 129 HD2 LYS 15 HD2 LYS 15 -14.793 -1.981 13.242 130 HD3 LYS 15 HD3 LYS 15 -14.062 -0.503 12.626 131 HE2 LYS 15 HE2 LYS 15 -15.211 -1.491 10.797 132 HE3 LYS 15 HE3 LYS 15 -13.493 -1.753 10.489 133 HZ1 LYS 15 HZ1 LYS 15 -15.352 -3.762 11.649 134 HZ2 LYS 15 HZ2 LYS 15 -13.743 -4.014 11.303 135 HZ3 LYS 15 HZ3 LYS 15 -14.806 -3.752 10.097 136 H GLY 16 H GLY 16 -8.623 -1.287 13.793 137 HA2 GLY 16 HA2 GLY 16 -6.819 -0.526 11.756 138 HA3 GLY 16 HA3 GLY 16 -6.835 0.804 12.899 139 HA PRO 17 HA PRO 17 -4.857 -3.196 15.069 140 HB2 PRO 17 HB2 PRO 17 -3.605 -4.022 12.430 141 HB3 PRO 17 HB3 PRO 17 -3.947 -5.037 13.864 142 HG2 PRO 17 HG2 PRO 17 -5.644 -5.084 11.768 143 HG3 PRO 17 HG3 PRO 17 -6.304 -4.972 13.433 144 HD2 PRO 17 HD2 PRO 17 -5.951 -2.766 11.403 145 HD3 PRO 17 HD3 PRO 17 -7.311 -3.073 12.512 146 H SER 18 H SER 18 -2.614 -3.353 15.721 147 HA SER 18 HA SER 18 -0.861 -1.125 14.799 148 HB2 SER 18 HB2 SER 18 -0.702 -2.801 17.291 149 HB3 SER 18 HB3 SER 18 0.455 -1.536 16.818 150 HG SER 18 HG SER 18 -1.801 -1.210 18.095 151 H SER 19 H SER 19 -1.294 -3.253 13.063 152 HA SER 19 HA SER 19 1.348 -4.430 12.530 153 HB2 SER 19 HB2 SER 19 -1.188 -6.059 13.058 154 HB3 SER 19 HB3 SER 19 0.245 -6.702 12.242 155 HG SER 19 HG SER 19 -0.044 -5.822 14.924 156 H VAL 20 H VAL 20 1.280 -5.603 10.317 157 HA VAL 20 HA VAL 20 0.491 -3.658 8.440 158 HB VAL 20 HB VAL 20 1.286 -6.552 7.958 159 HG11 VAL 20 HG11 VAL 20 2.084 -5.743 5.734 160 HG12 VAL 20 HG12 VAL 20 0.334 -5.660 5.879 161 HG13 VAL 20 HG13 VAL 20 1.301 -4.175 6.037 162 HG21 VAL 20 HG21 VAL 20 2.937 -3.978 7.968 163 HG22 VAL 20 HG22 VAL 20 3.006 -5.252 9.201 164 HG23 VAL 20 HG23 VAL 20 3.538 -5.600 7.562 165 H GLU 21 H GLU 21 -1.462 -6.318 9.583 166 HA GLU 21 HA GLU 21 -3.434 -6.465 7.559 167 HB2 GLU 21 HB2 GLU 21 -3.772 -6.656 10.581 168 HB3 GLU 21 HB3 GLU 21 -4.948 -7.171 9.366 169 HG2 GLU 21 HG2 GLU 21 -3.208 -8.766 8.451 170 HG3 GLU 21 HG3 GLU 21 -2.183 -8.358 9.835 171 H ASP 22 H ASP 22 -2.821 -3.800 9.772 172 HA ASP 22 HA ASP 22 -5.318 -2.343 9.388 173 HB2 ASP 22 HB2 ASP 22 -3.853 -1.805 11.221 174 HB3 ASP 22 HB3 ASP 22 -2.473 -1.579 10.156 175 H ILE 23 H ILE 23 -2.084 -2.114 7.846 176 HA ILE 23 HA ILE 23 -2.788 -0.123 5.942 177 HB ILE 23 HB ILE 23 -0.645 -2.291 5.756 178 HG12 ILE 23 HG12 ILE 23 -0.427 0.565 6.816 179 HG13 ILE 23 HG13 ILE 23 -0.460 -0.883 7.817 180 HG21 ILE 23 HG21 ILE 23 -1.093 -1.254 3.560 181 HG22 ILE 23 HG22 ILE 23 -0.894 0.362 4.272 182 HG23 ILE 23 HG23 ILE 23 0.480 -0.759 4.162 183 HD11 ILE 23 HD11 ILE 23 1.806 -0.226 7.681 184 HD12 ILE 23 HD12 ILE 23 1.652 -1.667 6.666 185 HD13 ILE 23 HD13 ILE 23 1.759 -0.047 5.925 186 H LYS 24 H LYS 24 -2.860 -3.688 5.752 187 HA LYS 24 HA LYS 24 -3.865 -3.955 3.073 188 HB2 LYS 24 HB2 LYS 24 -4.364 -5.695 5.524 189 HB3 LYS 24 HB3 LYS 24 -4.732 -6.161 3.874 190 HG2 LYS 24 HG2 LYS 24 -1.907 -5.536 4.848 191 HG3 LYS 24 HG3 LYS 24 -2.634 -7.139 4.877 192 HD2 LYS 24 HD2 LYS 24 -2.902 -7.071 2.410 193 HD3 LYS 24 HD3 LYS 24 -2.185 -5.452 2.386 194 HE2 LYS 24 HE2 LYS 24 -0.523 -7.097 1.725 195 HE3 LYS 24 HE3 LYS 24 -0.059 -6.342 3.255 196 HZ1 LYS 24 HZ1 LYS 24 -1.314 -9.039 3.032 197 HZ2 LYS 24 HZ2 LYS 24 -0.773 -8.318 4.416 198 HZ3 LYS 24 HZ3 LYS 24 0.297 -8.723 3.275 199 H ALA 25 H ALA 25 -5.764 -3.856 6.156 200 HA ALA 25 HA ALA 25 -8.274 -3.950 4.793 201 HB1 ALA 25 HB1 ALA 25 -9.194 -3.528 7.032 202 HB2 ALA 25 HB2 ALA 25 -7.915 -4.750 7.074 203 HB3 ALA 25 HB3 ALA 25 -7.579 -3.093 7.632 204 H LYS 26 H LYS 26 -6.393 -1.149 5.983 205 HA LYS 26 HA LYS 26 -8.423 0.853 5.399 206 HB2 LYS 26 HB2 LYS 26 -5.409 1.071 5.736 207 HB3 LYS 26 HB3 LYS 26 -6.497 2.428 5.593 208 HG2 LYS 26 HG2 LYS 26 -5.594 1.108 7.915 209 HG3 LYS 26 HG3 LYS 26 -6.556 2.544 7.781 210 HD2 LYS 26 HD2 LYS 26 -7.699 -0.275 7.998 211 HD3 LYS 26 HD3 LYS 26 -7.416 0.832 9.331 212 HE2 LYS 26 HE2 LYS 26 -8.969 2.498 8.245 213 HE3 LYS 26 HE3 LYS 26 -9.372 1.272 7.043 214 HZ1 LYS 26 HZ1 LYS 26 -11.002 1.103 8.763 215 HZ2 LYS 26 HZ2 LYS 26 -9.885 1.156 9.959 216 HZ3 LYS 26 HZ3 LYS 26 -10.013 -0.174 9.008 217 H MET 27 H MET 27 -5.688 -0.470 3.459 218 HA MET 27 HA MET 27 -6.252 1.130 1.126 219 HB2 MET 27 HB2 MET 27 -5.070 -1.651 1.445 220 HB3 MET 27 HB3 MET 27 -5.340 -0.910 -0.133 221 HG2 MET 27 HG2 MET 27 -3.959 1.058 0.606 222 HG3 MET 27 HG3 MET 27 -3.523 0.153 2.050 223 HE1 MET 27 HE1 MET 27 -2.370 -2.359 1.841 224 HE2 MET 27 HE2 MET 27 -3.384 -2.898 0.480 225 HE3 MET 27 HE3 MET 27 -1.618 -2.954 0.340 226 H GLN 28 H GLN 28 -7.728 -2.005 2.239 227 HA GLN 28 HA GLN 28 -9.436 -2.190 -0.063 228 HB2 GLN 28 HB2 GLN 28 -10.124 -3.232 2.703 229 HB3 GLN 28 HB3 GLN 28 -10.828 -3.691 1.160 230 HG2 GLN 28 HG2 GLN 28 -8.262 -4.552 2.390 231 HG3 GLN 28 HG3 GLN 28 -9.456 -5.481 1.522 232 HE21 GLN 28 HE21 GLN 28 -6.411 -4.010 1.304 233 HE22 GLN 28 HE22 GLN 28 -6.211 -4.269 -0.453 234 H ALA 29 H ALA 29 -9.960 -0.460 3.051 235 HA ALA 29 HA ALA 29 -12.619 0.405 2.448 236 HB1 ALA 29 HB1 ALA 29 -10.464 1.754 4.132 237 HB2 ALA 29 HB2 ALA 29 -12.205 2.097 4.175 238 HB3 ALA 29 HB3 ALA 29 -11.606 0.512 4.689 239 H SER 30 H SER 30 -9.442 1.970 1.617 240 HA SER 30 HA SER 30 -10.615 4.193 0.232 241 HB2 SER 30 HB2 SER 30 -7.942 2.798 -0.126 242 HB3 SER 30 HB3 SER 30 -8.397 4.295 -0.962 243 HG SER 30 HG SER 30 -8.395 5.396 0.876 244 H ILE 31 H ILE 31 -9.906 0.879 -0.919 245 HA ILE 31 HA ILE 31 -10.666 1.369 -3.654 246 HB ILE 31 HB ILE 31 -10.530 -1.177 -2.016 247 HG12 ILE 31 HG12 ILE 31 -8.776 -0.297 -4.336 248 HG13 ILE 31 HG13 ILE 31 -8.405 0.196 -2.690 249 HG21 ILE 31 HG21 ILE 31 -12.179 -1.581 -3.774 250 HG22 ILE 31 HG22 ILE 31 -11.113 -0.844 -4.995 251 HG23 ILE 31 HG23 ILE 31 -10.676 -2.373 -4.218 252 HD11 ILE 31 HD11 ILE 31 -7.075 -1.719 -3.241 253 HD12 ILE 31 HD12 ILE 31 -8.251 -2.192 -2.008 254 HD13 ILE 31 HD13 ILE 31 -8.496 -2.668 -3.706 255 H GLU 32 H GLU 32 -12.583 0.186 -0.847 256 HA GLU 32 HA GLU 32 -15.117 0.100 -2.200 257 HB2 GLU 32 HB2 GLU 32 -14.436 0.527 0.730 258 HB3 GLU 32 HB3 GLU 32 -16.049 0.178 0.126 259 HG2 GLU 32 HG2 GLU 32 -13.714 -1.727 -0.325 260 HG3 GLU 32 HG3 GLU 32 -14.701 -1.766 1.120 261 H LYS 33 H LYS 33 -13.271 2.822 -1.224 262 HA LYS 33 HA LYS 33 -15.575 4.700 -1.594 263 HB2 LYS 33 HB2 LYS 33 -12.967 5.021 -0.091 264 HB3 LYS 33 HB3 LYS 33 -14.168 6.299 -0.294 265 HG2 LYS 33 HG2 LYS 33 -15.867 4.988 0.889 266 HG3 LYS 33 HG3 LYS 33 -14.752 3.651 1.111 267 HD2 LYS 33 HD2 LYS 33 -14.270 6.453 2.215 268 HD3 LYS 33 HD3 LYS 33 -14.977 5.103 3.132 269 HE2 LYS 33 HE2 LYS 33 -12.950 3.749 2.698 270 HE3 LYS 33 HE3 LYS 33 -12.220 5.101 1.820 271 HZ1 LYS 33 HZ1 LYS 33 -11.414 5.025 4.035 272 HZ2 LYS 33 HZ2 LYS 33 -12.922 5.075 4.699 273 HZ3 LYS 33 HZ3 LYS 33 -12.303 6.384 3.889 274 H GLY 34 H GLY 34 -13.592 3.461 -3.674 275 HA2 GLY 34 HA2 GLY 34 -14.197 4.918 -5.730 276 HA3 GLY 34 HA3 GLY 34 -13.034 6.062 -5.084 277 H GLY 35 H GLY 35 -12.292 2.612 -4.929 278 HA2 GLY 35 HA2 GLY 35 -10.708 1.337 -6.062 279 HA3 GLY 35 HA3 GLY 35 -10.641 2.556 -7.341 280 H SER 36 H SER 36 -9.587 4.643 -6.718 281 HA SER 36 HA SER 36 -7.823 5.900 -6.034 282 HB2 SER 36 HB2 SER 36 -9.335 5.439 -3.954 283 HB3 SER 36 HB3 SER 36 -7.967 4.481 -3.374 284 HG SER 36 HG SER 36 -8.344 7.180 -3.547 285 H LEU 37 H LEU 37 -5.753 5.678 -4.411 286 HA LEU 37 HA LEU 37 -3.646 5.060 -4.086 287 HB2 LEU 37 HB2 LEU 37 -4.367 2.246 -4.935 288 HB3 LEU 37 HB3 LEU 37 -2.999 2.728 -3.954 289 HG LEU 37 HG LEU 37 -5.933 2.931 -3.116 290 HD11 LEU 37 HD11 LEU 37 -5.102 0.620 -3.276 291 HD12 LEU 37 HD12 LEU 37 -5.419 1.103 -1.608 292 HD13 LEU 37 HD13 LEU 37 -3.742 1.032 -2.202 293 HD21 LEU 37 HD21 LEU 37 -3.381 3.456 -1.528 294 HD22 LEU 37 HD22 LEU 37 -5.026 3.391 -0.858 295 HD23 LEU 37 HD23 LEU 37 -4.600 4.670 -1.995 296 HA PRO 38 HA PRO 38 -1.534 5.526 -7.958 297 HB2 PRO 38 HB2 PRO 38 1.082 5.068 -7.280 298 HB3 PRO 38 HB3 PRO 38 0.176 6.529 -6.775 299 HG2 PRO 38 HG2 PRO 38 0.569 3.960 -5.210 300 HG3 PRO 38 HG3 PRO 38 0.906 5.641 -4.669 301 HD2 PRO 38 HD2 PRO 38 -1.408 4.408 -4.030 302 HD3 PRO 38 HD3 PRO 38 -1.424 6.128 -4.522 303 H LYS 39 H LYS 39 -0.198 4.376 -9.524 304 HA LYS 39 HA LYS 39 -0.765 1.432 -9.467 305 HB2 LYS 39 HB2 LYS 39 -1.517 1.619 -11.764 306 HB3 LYS 39 HB3 LYS 39 -2.439 2.688 -10.711 307 HG2 LYS 39 HG2 LYS 39 -1.221 4.644 -11.495 308 HG3 LYS 39 HG3 LYS 39 -0.101 3.632 -12.430 309 HD2 LYS 39 HD2 LYS 39 -2.018 2.856 -13.815 310 HD3 LYS 39 HD3 LYS 39 -3.096 3.944 -12.920 311 HE2 LYS 39 HE2 LYS 39 -1.764 5.898 -13.648 312 HE3 LYS 39 HE3 LYS 39 -0.606 4.832 -14.451 313 HZ1 LYS 39 HZ1 LYS 39 -3.455 5.162 -15.216 314 HZ2 LYS 39 HZ2 LYS 39 -2.403 4.079 -15.900 315 HZ3 LYS 39 HZ3 LYS 39 -2.158 5.694 -16.063 316 H VAL 40 H VAL 40 1.917 2.999 -9.182 317 HA VAL 40 HA VAL 40 3.449 1.114 -10.865 318 HB VAL 40 HB VAL 40 3.182 3.140 -12.220 319 HG11 VAL 40 HG11 VAL 40 3.055 4.851 -10.443 320 HG12 VAL 40 HG12 VAL 40 4.780 4.587 -10.070 321 HG13 VAL 40 HG13 VAL 40 4.294 5.236 -11.645 322 HG21 VAL 40 HG21 VAL 40 6.066 2.824 -11.308 323 HG22 VAL 40 HG22 VAL 40 5.208 1.737 -12.433 324 HG23 VAL 40 HG23 VAL 40 5.479 3.435 -12.859 325 H GLU 41 H GLU 41 5.454 0.578 -10.114 326 HA GLU 41 HA GLU 41 5.659 0.064 -7.492 327 HB2 GLU 41 HB2 GLU 41 7.992 -0.589 -7.865 328 HB3 GLU 41 HB3 GLU 41 6.902 -1.107 -9.136 329 HG2 GLU 41 HG2 GLU 41 7.759 1.100 -10.368 330 HG3 GLU 41 HG3 GLU 41 9.109 0.948 -9.251 331 H ALA 42 H ALA 42 7.762 2.783 -8.754 332 HA ALA 42 HA ALA 42 8.693 3.356 -6.134 333 HB1 ALA 42 HB1 ALA 42 9.648 5.380 -7.167 334 HB2 ALA 42 HB2 ALA 42 9.900 3.938 -8.165 335 HB3 ALA 42 HB3 ALA 42 8.649 5.117 -8.613 336 H LYS 43 H LYS 43 5.992 4.862 -7.935 337 HA LYS 43 HA LYS 43 5.343 6.867 -5.951 338 HB2 LYS 43 HB2 LYS 43 3.505 5.508 -7.980 339 HB3 LYS 43 HB3 LYS 43 3.108 6.928 -7.004 340 HG2 LYS 43 HG2 LYS 43 5.066 8.120 -8.066 341 HG3 LYS 43 HG3 LYS 43 5.220 6.735 -9.164 342 HD2 LYS 43 HD2 LYS 43 2.816 7.126 -9.872 343 HD3 LYS 43 HD3 LYS 43 2.818 8.597 -8.884 344 HE2 LYS 43 HE2 LYS 43 4.759 9.433 -10.256 345 HE3 LYS 43 HE3 LYS 43 4.618 7.995 -11.274 346 HZ1 LYS 43 HZ1 LYS 43 2.505 10.069 -10.931 347 HZ2 LYS 43 HZ2 LYS 43 2.347 8.706 -11.839 348 HZ3 LYS 43 HZ3 LYS 43 3.423 9.842 -12.281 349 H PHE 44 H PHE 44 4.339 3.466 -6.373 350 HA PHE 44 HA PHE 44 2.449 3.537 -4.237 351 HB2 PHE 44 HB2 PHE 44 2.341 1.844 -5.983 352 HB3 PHE 44 HB3 PHE 44 3.924 1.221 -5.540 353 HD1 PHE 44 HD1 PHE 44 0.434 1.692 -4.229 354 HD2 PHE 44 HD2 PHE 44 4.148 -0.473 -3.884 355 HE1 PHE 44 HE1 PHE 44 -0.612 0.151 -2.578 356 HE2 PHE 44 HE2 PHE 44 3.099 -2.009 -2.247 357 HZ PHE 44 HZ PHE 44 0.711 -1.709 -1.603 358 H ILE 45 H ILE 45 5.894 2.453 -4.244 359 HA ILE 45 HA ILE 45 6.023 1.838 -1.449 360 HB ILE 45 HB ILE 45 8.227 2.872 -3.270 361 HG12 ILE 45 HG12 ILE 45 7.651 -0.018 -2.483 362 HG13 ILE 45 HG13 ILE 45 6.999 0.667 -3.944 363 HG21 ILE 45 HG21 ILE 45 8.342 1.384 -0.590 364 HG22 ILE 45 HG22 ILE 45 9.747 1.781 -1.602 365 HG23 ILE 45 HG23 ILE 45 8.816 3.073 -0.866 366 HD11 ILE 45 HD11 ILE 45 9.301 1.193 -4.750 367 HD12 ILE 45 HD12 ILE 45 9.956 0.357 -3.321 368 HD13 ILE 45 HD13 ILE 45 8.994 -0.537 -4.508 369 H ASN 46 H ASN 46 6.635 4.981 -3.139 370 HA ASN 46 HA ASN 46 7.158 6.525 -0.803 371 HB2 ASN 46 HB2 ASN 46 7.669 7.480 -2.910 372 HB3 ASN 46 HB3 ASN 46 6.071 7.142 -3.568 373 HD21 ASN 46 HD21 ASN 46 4.395 8.572 -3.226 374 HD22 ASN 46 HD22 ASN 46 4.585 10.108 -2.425 375 H TYR 47 H TYR 47 3.977 5.748 -2.322 376 HA TYR 47 HA TYR 47 2.526 7.453 -0.507 377 HB2 TYR 47 HB2 TYR 47 1.903 6.813 -2.843 378 HB3 TYR 47 HB3 TYR 47 1.436 5.220 -2.238 379 HD1 TYR 47 HD1 TYR 47 0.760 8.875 -2.125 380 HD2 TYR 47 HD2 TYR 47 -0.695 4.965 -1.014 381 HE1 TYR 47 HE1 TYR 47 -1.441 9.859 -1.534 382 HE2 TYR 47 HE2 TYR 47 -2.905 5.961 -0.431 383 HH TYR 47 HH TYR 47 -4.107 7.880 -0.208 384 H VAL 48 H VAL 48 3.273 3.955 -0.478 385 HA VAL 48 HA VAL 48 1.832 3.346 1.950 386 HB VAL 48 HB VAL 48 4.296 2.131 0.636 387 HG11 VAL 48 HG11 VAL 48 2.818 1.094 3.092 388 HG12 VAL 48 HG12 VAL 48 4.044 0.203 2.156 389 HG13 VAL 48 HG13 VAL 48 4.501 1.660 3.027 390 HG21 VAL 48 HG21 VAL 48 2.763 0.282 0.108 391 HG22 VAL 48 HG22 VAL 48 1.439 1.099 0.969 392 HG23 VAL 48 HG23 VAL 48 2.105 1.793 -0.521 393 H LYS 49 H LYS 49 5.208 4.527 1.415 394 HA LYS 49 HA LYS 49 5.818 4.858 4.196 395 HB2 LYS 49 HB2 LYS 49 6.946 6.105 1.674 396 HB3 LYS 49 HB3 LYS 49 7.575 6.477 3.283 397 HG2 LYS 49 HG2 LYS 49 8.145 4.167 3.706 398 HG3 LYS 49 HG3 LYS 49 7.373 3.631 2.205 399 HD2 LYS 49 HD2 LYS 49 9.000 4.935 0.878 400 HD3 LYS 49 HD3 LYS 49 9.779 5.497 2.374 401 HE2 LYS 49 HE2 LYS 49 10.270 3.124 2.986 402 HE3 LYS 49 HE3 LYS 49 9.521 2.590 1.474 403 HZ1 LYS 49 HZ1 LYS 49 11.863 2.713 1.145 404 HZ2 LYS 49 HZ2 LYS 49 11.953 4.270 1.726 405 HZ3 LYS 49 HZ3 LYS 49 11.220 3.935 0.288 406 H ASN 50 H ASN 50 3.858 6.872 2.149 407 HA ASN 50 HA ASN 50 3.760 9.128 4.010 408 HB2 ASN 50 HB2 ASN 50 3.338 9.624 1.733 409 HB3 ASN 50 HB3 ASN 50 2.222 8.294 1.532 410 HD21 ASN 50 HD21 ASN 50 0.068 8.431 2.656 411 HD22 ASN 50 HD22 ASN 50 -0.603 10.044 2.820 412 H CYS 51 H CYS 51 1.851 6.134 3.532 413 HA CYS 51 HA CYS 51 -0.152 6.956 5.524 414 HB2 CYS 51 HB2 CYS 51 0.211 4.330 4.023 415 HB3 CYS 51 HB3 CYS 51 -1.194 4.815 4.984 416 HG CYS 51 HG CYS 51 0.004 6.015 2.147 417 H PHE 52 H PHE 52 2.783 4.982 5.595 418 HA PHE 52 HA PHE 52 2.635 4.736 8.535 419 HB2 PHE 52 HB2 PHE 52 1.365 2.752 7.668 420 HB3 PHE 52 HB3 PHE 52 2.740 2.321 6.663 421 HD1 PHE 52 HD1 PHE 52 1.477 2.542 10.150 422 HD2 PHE 52 HD2 PHE 52 4.674 1.177 7.611 423 HE1 PHE 52 HE1 PHE 52 2.423 1.234 12.031 424 HE2 PHE 52 HE2 PHE 52 5.662 -0.068 9.524 425 HZ PHE 52 HZ PHE 52 4.529 -0.047 11.734 426 H ARG 53 H ARG 53 4.614 4.147 9.480 427 HA ARG 53 HA ARG 53 6.979 4.983 8.056 428 HB2 ARG 53 HB2 ARG 53 6.385 5.372 10.504 429 HB3 ARG 53 HB3 ARG 53 6.736 3.666 10.781 430 HG2 ARG 53 HG2 ARG 53 8.691 4.896 11.387 431 HG3 ARG 53 HG3 ARG 53 9.070 4.122 9.844 432 HD2 ARG 53 HD2 ARG 53 8.188 6.469 8.879 433 HD3 ARG 53 HD3 ARG 53 8.589 7.026 10.488 434 HE ARG 53 HE ARG 53 10.901 6.455 10.113 435 HH11 ARG 53 HH11 ARG 53 9.044 6.509 7.065 436 HH12 ARG 53 HH12 ARG 53 10.533 6.294 6.153 437 HH21 ARG 53 HH21 ARG 53 12.585 6.660 8.861 438 HH22 ARG 53 HH22 ARG 53 12.419 6.786 7.115 439 H MET 54 H MET 54 6.510 3.316 6.372 440 HA MET 54 HA MET 54 7.272 0.556 6.935 441 HB2 MET 54 HB2 MET 54 5.369 1.362 5.415 442 HB3 MET 54 HB3 MET 54 6.607 1.844 4.268 443 HG2 MET 54 HG2 MET 54 6.205 -0.213 3.452 444 HG3 MET 54 HG3 MET 54 7.408 -0.706 4.635 445 HE1 MET 54 HE1 MET 54 6.928 -2.222 6.668 446 HE2 MET 54 HE2 MET 54 5.912 -0.996 7.464 447 HE3 MET 54 HE3 MET 54 5.314 -2.653 7.275 448 H THR 55 H THR 55 9.427 0.644 7.532 449 HA THR 55 HA THR 55 11.438 1.664 5.601 450 HB THR 55 HB THR 55 12.996 1.420 7.579 451 HG1 THR 55 HG1 THR 55 11.579 -0.119 8.668 452 HG21 THR 55 HG21 THR 55 11.909 3.573 7.018 453 HG22 THR 55 HG22 THR 55 12.132 3.367 8.762 454 HG23 THR 55 HG23 THR 55 10.523 3.138 8.045 455 H ASP 56 H ASP 56 10.021 -1.134 5.571 456 HA ASP 56 HA ASP 56 12.451 -2.883 5.632 457 HB2 ASP 56 HB2 ASP 56 9.723 -3.290 6.874 458 HB3 ASP 56 HB3 ASP 56 10.950 -4.536 6.741 459 H GLN 57 H GLN 57 12.764 -4.083 3.916 460 HA GLN 57 HA GLN 57 10.976 -3.829 1.729 461 HB2 GLN 57 HB2 GLN 57 13.444 -5.561 1.961 462 HB3 GLN 57 HB3 GLN 57 12.564 -5.215 0.475 463 HG2 GLN 57 HG2 GLN 57 14.217 -3.318 2.151 464 HG3 GLN 57 HG3 GLN 57 14.403 -3.735 0.446 465 HE21 GLN 57 HE21 GLN 57 12.053 -3.160 -0.820 466 HE22 GLN 57 HE22 GLN 57 11.472 -1.560 -0.390 467 H GLU 58 H GLU 58 11.286 -6.516 4.011 468 HA GLU 58 HA GLU 58 9.866 -8.495 2.544 469 HB2 GLU 58 HB2 GLU 58 10.987 -9.080 4.571 470 HB3 GLU 58 HB3 GLU 58 10.132 -7.841 5.481 471 HG2 GLU 58 HG2 GLU 58 9.288 -9.911 6.182 472 HG3 GLU 58 HG3 GLU 58 8.022 -9.097 5.300 473 H ALA 59 H ALA 59 8.507 -5.870 4.628 474 HA ALA 59 HA ALA 59 5.770 -6.693 3.970 475 HB1 ALA 59 HB1 ALA 59 6.805 -4.229 5.395 476 HB2 ALA 59 HB2 ALA 59 5.101 -4.733 5.237 477 HB3 ALA 59 HB3 ALA 59 6.246 -5.744 6.156 478 H ILE 60 H ILE 60 8.071 -4.187 2.801 479 HA ILE 60 HA ILE 60 6.232 -2.776 1.121 480 HB ILE 60 HB ILE 60 9.191 -3.230 0.996 481 HG12 ILE 60 HG12 ILE 60 7.535 -0.728 1.527 482 HG13 ILE 60 HG13 ILE 60 8.067 -1.844 2.792 483 HG21 ILE 60 HG21 ILE 60 9.226 -1.383 -0.768 484 HG22 ILE 60 HG22 ILE 60 8.566 -2.900 -1.346 485 HG23 ILE 60 HG23 ILE 60 7.466 -1.579 -0.897 486 HD11 ILE 60 HD11 ILE 60 9.618 -0.020 2.724 487 HD12 ILE 60 HD12 ILE 60 10.410 -1.497 2.135 488 HD13 ILE 60 HD13 ILE 60 9.883 -0.232 0.985 489 H GLN 61 H GLN 61 8.259 -5.666 0.316 490 HA GLN 61 HA GLN 61 6.990 -5.904 -2.274 491 HB2 GLN 61 HB2 GLN 61 8.279 -7.857 -2.597 492 HB3 GLN 61 HB3 GLN 61 9.271 -6.685 -1.758 493 HG2 GLN 61 HG2 GLN 61 9.772 -8.691 -0.663 494 HG3 GLN 61 HG3 GLN 61 8.659 -7.876 0.404 495 HE21 GLN 61 HE21 GLN 61 7.393 -9.400 1.360 496 HE22 GLN 61 HE22 GLN 61 6.479 -10.620 0.497 497 H ASP 62 H ASP 62 6.138 -7.234 0.957 498 HA ASP 62 HA ASP 62 4.169 -9.084 -0.014 499 HB2 ASP 62 HB2 ASP 62 5.023 -8.921 2.360 500 HB3 ASP 62 HB3 ASP 62 4.069 -7.458 2.566 501 H LEU 63 H LEU 63 3.994 -5.641 0.837 502 HA LEU 63 HA LEU 63 1.242 -5.270 0.187 503 HB2 LEU 63 HB2 LEU 63 3.632 -3.480 0.579 504 HB3 LEU 63 HB3 LEU 63 2.064 -2.796 0.131 505 HG LEU 63 HG LEU 63 2.479 -4.554 2.596 506 HD11 LEU 63 HD11 LEU 63 3.810 -2.473 2.747 507 HD12 LEU 63 HD12 LEU 63 2.463 -2.475 3.891 508 HD13 LEU 63 HD13 LEU 63 2.351 -1.516 2.394 509 HD21 LEU 63 HD21 LEU 63 0.117 -4.400 1.795 510 HD22 LEU 63 HD22 LEU 63 0.239 -2.629 1.852 511 HD23 LEU 63 HD23 LEU 63 0.357 -3.583 3.345 512 H TRP 64 H TRP 64 4.243 -4.888 -1.794 513 HA TRP 64 HA TRP 64 2.906 -3.902 -4.122 514 HB2 TRP 64 HB2 TRP 64 5.428 -3.899 -3.681 515 HB3 TRP 64 HB3 TRP 64 5.424 -5.597 -4.087 516 HD1 TRP 64 HD1 TRP 64 3.350 -3.066 -6.143 517 HE1 TRP 64 HE1 TRP 64 4.259 -2.958 -8.524 518 HE3 TRP 64 HE3 TRP 64 7.551 -5.969 -5.553 519 HZ2 TRP 64 HZ2 TRP 64 6.520 -3.947 -9.990 520 HZ3 TRP 64 HZ3 TRP 64 9.067 -6.354 -7.479 521 HH2 TRP 64 HH2 TRP 64 8.568 -5.354 -9.699 522 H GLN 65 H GLN 65 3.765 -7.281 -3.217 523 HA GLN 65 HA GLN 65 2.557 -8.512 -5.514 524 HB2 GLN 65 HB2 GLN 65 3.413 -9.412 -2.758 525 HB3 GLN 65 HB3 GLN 65 2.370 -10.461 -3.704 526 HG2 GLN 65 HG2 GLN 65 4.751 -11.024 -4.005 527 HG3 GLN 65 HG3 GLN 65 3.928 -10.626 -5.504 528 HE21 GLN 65 HE21 GLN 65 6.552 -9.578 -3.306 529 HE22 GLN 65 HE22 GLN 65 7.138 -8.389 -4.474 530 H TRP 66 H TRP 66 1.132 -7.516 -2.355 531 HA TRP 66 HA TRP 66 -1.483 -8.541 -2.953 532 HB2 TRP 66 HB2 TRP 66 -0.417 -7.664 -0.714 533 HB3 TRP 66 HB3 TRP 66 -1.074 -6.111 -1.210 534 HD1 TRP 66 HD1 TRP 66 -3.574 -5.769 -0.524 535 HE1 TRP 66 HE1 TRP 66 -5.479 -7.261 0.366 536 HE3 TRP 66 HE3 TRP 66 -1.297 -10.341 -0.939 537 HZ2 TRP 66 HZ2 TRP 66 -6.001 -10.069 0.683 538 HZ3 TRP 66 HZ3 TRP 66 -2.543 -12.411 -0.375 539 HH2 TRP 66 HH2 TRP 66 -4.888 -12.293 0.423 540 H ARG 67 H ARG 67 -0.018 -5.332 -3.576 541 HA ARG 67 HA ARG 67 -2.298 -4.118 -4.810 542 HB2 ARG 67 HB2 ARG 67 -0.346 -2.882 -3.897 543 HB3 ARG 67 HB3 ARG 67 0.694 -3.586 -5.127 544 HG2 ARG 67 HG2 ARG 67 0.227 -1.342 -5.775 545 HG3 ARG 67 HG3 ARG 67 -0.621 -2.399 -6.900 546 HD2 ARG 67 HD2 ARG 67 -2.724 -2.041 -5.509 547 HD3 ARG 67 HD3 ARG 67 -1.819 -0.876 -4.549 548 HE ARG 67 HE ARG 67 -1.716 0.622 -6.432 549 HH11 ARG 67 HH11 ARG 67 -3.366 -2.304 -7.474 550 HH12 ARG 67 HH12 ARG 67 -4.345 -1.425 -8.620 551 HH21 ARG 67 HH21 ARG 67 -2.821 1.598 -7.975 552 HH22 ARG 67 HH22 ARG 67 -3.837 0.672 -9.078 553 H LYS 68 H LYS 68 0.346 -6.035 -6.258 554 HA LYS 68 HA LYS 68 -0.703 -5.831 -8.979 555 HB2 LYS 68 HB2 LYS 68 1.348 -7.657 -7.677 556 HB3 LYS 68 HB3 LYS 68 0.919 -7.730 -9.394 557 HG2 LYS 68 HG2 LYS 68 1.531 -5.328 -9.656 558 HG3 LYS 68 HG3 LYS 68 2.067 -5.281 -7.977 559 HD2 LYS 68 HD2 LYS 68 3.241 -7.026 -10.185 560 HD3 LYS 68 HD3 LYS 68 3.936 -5.530 -9.546 561 HE2 LYS 68 HE2 LYS 68 4.004 -6.650 -7.256 562 HE3 LYS 68 HE3 LYS 68 3.540 -8.155 -8.052 563 HZ1 LYS 68 HZ1 LYS 68 5.886 -8.099 -7.832 564 HZ2 LYS 68 HZ2 LYS 68 6.031 -6.614 -8.489 565 HZ3 LYS 68 HZ3 LYS 68 5.596 -7.865 -9.453 566 H SER 69 H SER 69 -1.471 -7.921 -6.286 567 HA SER 69 HA SER 69 -2.942 -9.844 -7.883 568 HB2 SER 69 HB2 SER 69 -3.145 -9.299 -4.905 569 HB3 SER 69 HB3 SER 69 -3.777 -10.711 -5.765 570 HG SER 69 HG SER 69 -1.033 -9.946 -5.561 571 H LEU 70 H LEU 70 -3.646 -6.688 -7.523 572 HA LEU 70 HA LEU 70 -6.608 -6.982 -7.585 573 HB2 LEU 70 HB2 LEU 70 -4.745 -4.589 -7.524 574 HB3 LEU 70 HB3 LEU 70 -6.491 -4.466 -7.632 575 HG LEU 70 HG LEU 70 -4.938 -5.617 -5.276 576 HD11 LEU 70 HD11 LEU 70 -4.761 -3.159 -5.568 577 HD12 LEU 70 HD12 LEU 70 -5.687 -3.598 -4.125 578 HD13 LEU 70 HD13 LEU 70 -6.534 -3.041 -5.581 579 HD21 LEU 70 HD21 LEU 70 -7.919 -5.186 -5.741 580 HD22 LEU 70 HD22 LEU 70 -7.208 -5.503 -4.154 581 HD23 LEU 70 HD23 LEU 70 -7.096 -6.729 -5.419
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