NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
619506 | 5u6h | 30207 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 1 H MET 1 -7.920 13.055 -5.223 2 HA MET 1 HA MET 1 -7.022 13.098 -7.347 3 HB2 MET 1 HB2 MET 1 -6.736 10.129 -6.740 4 HB3 MET 1 HB3 MET 1 -6.056 10.900 -8.170 5 HG2 MET 1 HG2 MET 1 -4.847 12.516 -6.654 6 HG3 MET 1 HG3 MET 1 -5.363 11.534 -5.282 7 HE1 MET 1 HE1 MET 1 -5.063 8.503 -6.415 8 HE2 MET 1 HE2 MET 1 -3.417 8.172 -5.841 9 HE3 MET 1 HE3 MET 1 -4.547 9.074 -4.809 10 H ALA 2 H ALA 2 -9.748 11.082 -6.831 11 HA ALA 2 HA ALA 2 -10.464 9.988 -9.252 12 HB1 ALA 2 HB1 ALA 2 -12.189 11.261 -7.085 13 HB2 ALA 2 HB2 ALA 2 -12.794 10.153 -8.321 14 HB3 ALA 2 HB3 ALA 2 -11.602 9.581 -7.139 15 H VAL 3 H VAL 3 -10.523 13.400 -8.588 16 HA VAL 3 HA VAL 3 -11.707 13.972 -11.260 17 HB VAL 3 HB VAL 3 -12.957 15.887 -10.284 18 HG11 VAL 3 HG11 VAL 3 -14.808 14.625 -9.406 19 HG12 VAL 3 HG12 VAL 3 -14.070 13.730 -10.745 20 HG13 VAL 3 HG13 VAL 3 -13.770 13.228 -9.065 21 HG21 VAL 3 HG21 VAL 3 -11.655 16.177 -8.175 22 HG22 VAL 3 HG22 VAL 3 -13.396 16.029 -7.900 23 HG23 VAL 3 HG23 VAL 3 -12.333 14.650 -7.567 24 H SER 4 H SER 4 -8.899 13.974 -10.039 25 HA SER 4 HA SER 4 -8.085 16.582 -11.204 26 HB2 SER 4 HB2 SER 4 -6.713 17.154 -9.226 27 HB3 SER 4 HB3 SER 4 -8.450 17.143 -8.884 28 HG SER 4 HG SER 4 -7.254 16.062 -7.256 29 H VAL 5 H VAL 5 -7.135 13.302 -10.324 30 HA VAL 5 HA VAL 5 -4.637 13.654 -11.932 31 HB VAL 5 HB VAL 5 -4.668 12.174 -9.285 32 HG11 VAL 5 HG11 VAL 5 -2.199 12.231 -9.519 33 HG12 VAL 5 HG12 VAL 5 -2.960 11.317 -10.815 34 HG13 VAL 5 HG13 VAL 5 -2.379 12.970 -11.126 35 HG21 VAL 5 HG21 VAL 5 -3.225 13.981 -8.394 36 HG22 VAL 5 HG22 VAL 5 -3.521 14.930 -9.869 37 HG23 VAL 5 HG23 VAL 5 -4.850 14.550 -8.746 38 H THR 6 H THR 6 -7.134 11.404 -10.692 39 HA THR 6 HA THR 6 -6.320 9.451 -12.800 40 HB THR 6 HB THR 6 -7.092 7.650 -11.256 41 HG1 THR 6 HG1 THR 6 -7.049 8.082 -9.074 42 HG21 THR 6 HG21 THR 6 -4.655 9.232 -10.335 43 HG22 THR 6 HG22 THR 6 -4.961 7.500 -10.081 44 HG23 THR 6 HG23 THR 6 -4.694 8.117 -11.719 45 HA PRO 7 HA PRO 7 -10.673 10.335 -13.684 46 HB2 PRO 7 HB2 PRO 7 -10.771 9.554 -16.296 47 HB3 PRO 7 HB3 PRO 7 -9.951 11.058 -15.772 48 HG2 PRO 7 HG2 PRO 7 -8.695 8.343 -16.300 49 HG3 PRO 7 HG3 PRO 7 -8.175 9.942 -16.926 50 HD2 PRO 7 HD2 PRO 7 -7.047 8.784 -14.719 51 HD3 PRO 7 HD3 PRO 7 -7.255 10.557 -14.847 52 H ILE 8 H ILE 8 -9.109 7.305 -13.605 53 HA ILE 8 HA ILE 8 -11.372 5.591 -14.188 54 HB ILE 8 HB ILE 8 -9.067 5.047 -14.720 55 HG12 ILE 8 HG12 ILE 8 -10.143 2.954 -12.804 56 HG13 ILE 8 HG13 ILE 8 -10.830 3.292 -14.394 57 HG21 ILE 8 HG21 ILE 8 -7.945 6.051 -12.748 58 HG22 ILE 8 HG22 ILE 8 -8.531 4.711 -11.744 59 HG23 ILE 8 HG23 ILE 8 -7.402 4.408 -13.075 60 HD11 ILE 8 HD11 ILE 8 -9.345 1.393 -14.536 61 HD12 ILE 8 HD12 ILE 8 -8.629 2.742 -15.438 62 HD13 ILE 8 HD13 ILE 8 -8.005 2.306 -13.827 63 H ARG 9 H ARG 9 -12.202 7.419 -12.365 64 HA ARG 9 HA ARG 9 -12.127 6.689 -9.607 65 HB2 ARG 9 HB2 ARG 9 -13.950 8.242 -9.319 66 HB3 ARG 9 HB3 ARG 9 -12.620 8.883 -10.291 67 HG2 ARG 9 HG2 ARG 9 -13.915 8.556 -12.353 68 HG3 ARG 9 HG3 ARG 9 -15.265 7.861 -11.430 69 HD2 ARG 9 HD2 ARG 9 -15.728 9.900 -10.344 70 HD3 ARG 9 HD3 ARG 9 -14.141 10.567 -10.688 71 HE ARG 9 HE ARG 9 -16.453 10.439 -12.536 72 HH11 ARG 9 HH11 ARG 9 -13.082 12.120 -13.822 73 HH12 ARG 9 HH12 ARG 9 -13.054 11.411 -12.212 74 HH21 ARG 9 HH21 ARG 9 -14.797 12.119 -15.049 75 HH22 ARG 9 HH22 ARG 9 -16.315 11.430 -14.535 76 H ASP 10 H ASP 10 -13.872 5.111 -12.094 77 HA ASP 10 HA ASP 10 -15.117 3.329 -10.135 78 HB2 ASP 10 HB2 ASP 10 -17.354 3.577 -10.785 79 HB3 ASP 10 HB3 ASP 10 -16.788 5.217 -10.522 80 H THR 11 H THR 11 -16.365 1.568 -11.277 81 HA THR 11 HA THR 11 -15.186 0.699 -13.875 82 HB THR 11 HB THR 11 -14.941 -1.607 -12.834 83 HG1 THR 11 HG1 THR 11 -16.014 -1.609 -10.992 84 HG21 THR 11 HG21 THR 11 -12.826 -1.185 -11.761 85 HG22 THR 11 HG22 THR 11 -12.985 -0.122 -13.166 86 HG23 THR 11 HG23 THR 11 -13.220 0.528 -11.525 87 H LYS 12 H LYS 12 -17.837 1.819 -13.249 88 HA LYS 12 HA LYS 12 -19.863 0.010 -12.753 89 HB2 LYS 12 HB2 LYS 12 -21.382 1.557 -13.623 90 HB3 LYS 12 HB3 LYS 12 -20.034 2.515 -13.024 91 HG2 LYS 12 HG2 LYS 12 -19.182 2.677 -15.419 92 HG3 LYS 12 HG3 LYS 12 -20.609 1.782 -15.935 93 HD2 LYS 12 HD2 LYS 12 -21.129 4.020 -16.362 94 HD3 LYS 12 HD3 LYS 12 -22.074 3.560 -14.958 95 HE2 LYS 12 HE2 LYS 12 -21.190 5.811 -14.684 96 HE3 LYS 12 HE3 LYS 12 -20.486 4.737 -13.470 97 HZ1 LYS 12 HZ1 LYS 12 -18.832 6.200 -14.547 98 HZ2 LYS 12 HZ2 LYS 12 -18.472 4.644 -14.690 99 HZ3 LYS 12 HZ3 LYS 12 -19.090 5.462 -16.003 100 H TRP 13 H TRP 13 -18.203 0.218 -15.841 101 HA TRP 13 HA TRP 13 -20.152 -1.623 -17.099 102 HB2 TRP 13 HB2 TRP 13 -19.583 -0.718 -19.022 103 HB3 TRP 13 HB3 TRP 13 -18.913 0.575 -18.083 104 HD1 TRP 13 HD1 TRP 13 -17.889 -2.581 -20.003 105 HE1 TRP 13 HE1 TRP 13 -15.557 -2.284 -21.002 106 HE3 TRP 13 HE3 TRP 13 -16.657 1.920 -17.868 107 HZ2 TRP 13 HZ2 TRP 13 -13.405 -0.383 -20.865 108 HZ3 TRP 13 HZ3 TRP 13 -14.452 2.962 -18.369 109 HH2 TRP 13 HH2 TRP 13 -12.819 1.818 -19.836 110 H LEU 14 H LEU 14 -17.076 -1.824 -15.569 111 HA LEU 14 HA LEU 14 -16.285 -4.367 -16.870 112 HB2 LEU 14 HB2 LEU 14 -14.953 -2.567 -14.813 113 HB3 LEU 14 HB3 LEU 14 -14.211 -4.007 -15.491 114 HG LEU 14 HG LEU 14 -15.037 -1.592 -17.162 115 HD11 LEU 14 HD11 LEU 14 -13.305 -0.975 -15.548 116 HD12 LEU 14 HD12 LEU 14 -12.337 -2.391 -16.015 117 HD13 LEU 14 HD13 LEU 14 -12.624 -1.067 -17.179 118 HD21 LEU 14 HD21 LEU 14 -13.213 -3.962 -17.780 119 HD22 LEU 14 HD22 LEU 14 -14.838 -3.703 -18.465 120 HD23 LEU 14 HD23 LEU 14 -13.527 -2.581 -18.845 121 H THR 15 H THR 15 -17.729 -3.313 -13.863 122 HA THR 15 HA THR 15 -16.973 -5.618 -12.283 123 HB THR 15 HB THR 15 -19.300 -3.803 -11.671 124 HG1 THR 15 HG1 THR 15 -17.567 -2.459 -12.084 125 HG21 THR 15 HG21 THR 15 -19.004 -5.689 -10.145 126 HG22 THR 15 HG22 THR 15 -17.281 -5.294 -9.939 127 HG23 THR 15 HG23 THR 15 -18.532 -4.188 -9.339 128 H LEU 16 H LEU 16 -17.467 -7.227 -13.859 129 HA LEU 16 HA LEU 16 -20.148 -7.905 -14.697 130 HB2 LEU 16 HB2 LEU 16 -17.853 -8.285 -15.814 131 HB3 LEU 16 HB3 LEU 16 -17.625 -9.614 -14.702 132 HG LEU 16 HG LEU 16 -19.355 -10.906 -15.721 133 HD11 LEU 16 HD11 LEU 16 -20.780 -10.043 -17.589 134 HD12 LEU 16 HD12 LEU 16 -21.169 -9.312 -16.043 135 HD13 LEU 16 HD13 LEU 16 -20.203 -8.399 -17.236 136 HD21 LEU 16 HD21 LEU 16 -17.300 -10.819 -17.040 137 HD22 LEU 16 HD22 LEU 16 -18.686 -10.793 -18.149 138 HD23 LEU 16 HD23 LEU 16 -17.814 -9.309 -17.825 139 H GLU 17 H GLU 17 -21.513 -9.588 -13.916 140 HA GLU 17 HA GLU 17 -21.160 -10.313 -11.130 141 HB2 GLU 17 HB2 GLU 17 -23.142 -11.484 -13.104 142 HB3 GLU 17 HB3 GLU 17 -23.195 -11.535 -11.332 143 HG2 GLU 17 HG2 GLU 17 -23.097 -8.868 -11.645 144 HG3 GLU 17 HG3 GLU 17 -23.790 -9.276 -13.217 145 H VAL 18 H VAL 18 -20.961 -12.386 -10.178 146 HA VAL 18 HA VAL 18 -19.267 -14.256 -11.718 147 HB VAL 18 HB VAL 18 -18.909 -15.452 -9.704 148 HG11 VAL 18 HG11 VAL 18 -17.836 -13.805 -8.302 149 HG12 VAL 18 HG12 VAL 18 -17.638 -13.364 -10.005 150 HG13 VAL 18 HG13 VAL 18 -18.817 -12.498 -8.985 151 HG21 VAL 18 HG21 VAL 18 -21.065 -13.766 -8.385 152 HG22 VAL 18 HG22 VAL 18 -21.061 -15.516 -8.617 153 HG23 VAL 18 HG23 VAL 18 -19.903 -14.777 -7.506 154 H CYS 19 H CYS 19 -19.774 -16.521 -11.988 155 HA CYS 19 HA CYS 19 -22.571 -17.005 -12.570 156 HB2 CYS 19 HB2 CYS 19 -20.650 -17.964 -13.865 157 HB3 CYS 19 HB3 CYS 19 -20.274 -18.980 -12.463 158 H ARG 20 H ARG 20 -24.044 -18.064 -11.365 159 HA ARG 20 HA ARG 20 -23.704 -18.290 -8.495 160 HB2 ARG 20 HB2 ARG 20 -25.984 -19.166 -10.328 161 HB3 ARG 20 HB3 ARG 20 -26.030 -19.210 -8.571 162 HG2 ARG 20 HG2 ARG 20 -27.214 -17.288 -9.266 163 HG3 ARG 20 HG3 ARG 20 -25.730 -16.739 -8.484 164 HD2 ARG 20 HD2 ARG 20 -24.757 -16.093 -10.572 165 HD3 ARG 20 HD3 ARG 20 -25.967 -16.993 -11.507 166 HE ARG 20 HE ARG 20 -27.645 -15.332 -10.496 167 HH11 ARG 20 HH11 ARG 20 -26.881 -12.089 -11.358 168 HH12 ARG 20 HH12 ARG 20 -28.177 -13.198 -10.907 169 HH21 ARG 20 HH21 ARG 20 -24.973 -12.631 -11.587 170 HH22 ARG 20 HH22 ARG 20 -24.328 -14.247 -11.269 171 H GLU 21 H GLU 21 -23.976 -20.737 -11.065 172 HA GLU 21 HA GLU 21 -23.979 -23.026 -9.273 173 HB2 GLU 21 HB2 GLU 21 -23.298 -22.836 -12.215 174 HB3 GLU 21 HB3 GLU 21 -23.674 -24.311 -11.324 175 HG2 GLU 21 HG2 GLU 21 -25.603 -21.999 -11.851 176 HG3 GLU 21 HG3 GLU 21 -25.578 -23.540 -12.693 177 H PHE 22 H PHE 22 -21.441 -21.230 -10.970 178 HA PHE 22 HA PHE 22 -19.257 -22.995 -10.463 179 HB2 PHE 22 HB2 PHE 22 -19.314 -21.144 -12.079 180 HB3 PHE 22 HB3 PHE 22 -19.398 -19.988 -10.774 181 HD1 PHE 22 HD1 PHE 22 -17.234 -22.503 -12.453 182 HD2 PHE 22 HD2 PHE 22 -17.398 -19.218 -9.667 183 HE1 PHE 22 HE1 PHE 22 -14.750 -22.367 -12.464 184 HE2 PHE 22 HE2 PHE 22 -14.918 -19.070 -9.696 185 HZ PHE 22 HZ PHE 22 -13.592 -20.649 -11.086 186 H GLN 23 H GLN 23 -20.954 -20.722 -8.358 187 HA GLN 23 HA GLN 23 -18.918 -20.454 -6.353 188 HB2 GLN 23 HB2 GLN 23 -21.927 -20.382 -5.870 189 HB3 GLN 23 HB3 GLN 23 -20.674 -19.779 -4.800 190 HG2 GLN 23 HG2 GLN 23 -21.556 -18.633 -7.443 191 HG3 GLN 23 HG3 GLN 23 -21.604 -17.876 -5.868 192 HE21 GLN 23 HE21 GLN 23 -19.878 -17.984 -8.747 193 HE22 GLN 23 HE22 GLN 23 -18.353 -17.309 -8.143 194 H ARG 24 H ARG 24 -20.947 -23.156 -7.080 195 HA ARG 24 HA ARG 24 -19.983 -24.609 -4.630 196 HB2 ARG 24 HB2 ARG 24 -22.557 -25.186 -6.142 197 HB3 ARG 24 HB3 ARG 24 -21.970 -25.971 -4.686 198 HG2 ARG 24 HG2 ARG 24 -23.330 -24.584 -3.577 199 HG3 ARG 24 HG3 ARG 24 -22.050 -23.394 -3.778 200 HD2 ARG 24 HD2 ARG 24 -24.153 -22.384 -4.412 201 HD3 ARG 24 HD3 ARG 24 -23.196 -22.609 -5.884 202 HE ARG 24 HE ARG 24 -25.032 -24.822 -5.258 203 HH11 ARG 24 HH11 ARG 24 -26.583 -25.344 -6.845 204 HH12 ARG 24 HH12 ARG 24 -26.887 -24.155 -8.105 205 HH21 ARG 24 HH21 ARG 24 -26.045 -22.339 -8.169 206 HH22 ARG 24 HH22 ARG 24 -24.798 -21.782 -7.051 207 H GLY 25 H GLY 25 -18.988 -24.247 -7.560 208 HA2 GLY 25 HA2 GLY 25 -17.846 -25.487 -9.103 209 HA3 GLY 25 HA3 GLY 25 -17.662 -26.724 -7.848 210 H THR 26 H THR 26 -20.723 -25.608 -9.320 211 HA THR 26 HA THR 26 -21.076 -28.290 -10.592 212 HB THR 26 HB THR 26 -22.185 -28.082 -8.397 213 HG1 THR 26 HG1 THR 26 -22.981 -29.551 -9.825 214 HG21 THR 26 HG21 THR 26 -24.010 -26.076 -9.762 215 HG22 THR 26 HG22 THR 26 -24.285 -26.848 -8.187 216 HG23 THR 26 HG23 THR 26 -22.906 -25.767 -8.400 217 H CYS 27 H CYS 27 -20.362 -25.489 -11.651 218 HA CYS 27 HA CYS 27 -22.461 -24.797 -13.504 219 HB2 CYS 27 HB2 CYS 27 -20.622 -23.280 -12.660 220 HB3 CYS 27 HB3 CYS 27 -19.480 -24.164 -13.679 221 H SER 28 H SER 28 -21.941 -24.860 -15.947 222 HA SER 28 HA SER 28 -21.017 -27.593 -16.783 223 HB2 SER 28 HB2 SER 28 -22.966 -27.811 -18.221 224 HB3 SER 28 HB3 SER 28 -23.442 -27.592 -16.532 225 HG SER 28 HG SER 28 -24.687 -26.282 -17.944 226 H ARG 29 H ARG 29 -20.288 -24.445 -17.259 227 HA ARG 29 HA ARG 29 -19.287 -24.881 -20.060 228 HB2 ARG 29 HB2 ARG 29 -20.739 -22.495 -18.870 229 HB3 ARG 29 HB3 ARG 29 -19.689 -22.373 -20.281 230 HG2 ARG 29 HG2 ARG 29 -21.052 -24.038 -21.485 231 HG3 ARG 29 HG3 ARG 29 -22.149 -24.177 -20.094 232 HD2 ARG 29 HD2 ARG 29 -22.878 -21.896 -20.328 233 HD3 ARG 29 HD3 ARG 29 -21.559 -21.542 -21.449 234 HE ARG 29 HE ARG 29 -23.825 -23.398 -22.107 235 HH11 ARG 29 HH11 ARG 29 -23.480 -22.599 -25.445 236 HH12 ARG 29 HH12 ARG 29 -24.228 -23.679 -24.299 237 HH21 ARG 29 HH21 ARG 29 -21.741 -20.770 -23.155 238 HH22 ARG 29 HH22 ARG 29 -21.840 -21.268 -24.826 239 HA PRO 30 HA PRO 30 -15.477 -23.456 -18.147 240 HB2 PRO 30 HB2 PRO 30 -13.984 -22.803 -20.329 241 HB3 PRO 30 HB3 PRO 30 -14.420 -24.499 -19.956 242 HG2 PRO 30 HG2 PRO 30 -15.794 -22.602 -21.878 243 HG3 PRO 30 HG3 PRO 30 -15.268 -24.287 -22.185 244 HD2 PRO 30 HD2 PRO 30 -17.844 -23.655 -21.488 245 HD3 PRO 30 HD3 PRO 30 -17.064 -25.168 -20.944 246 H ASP 31 H ASP 31 -14.131 -21.393 -18.079 247 HA ASP 31 HA ASP 31 -15.700 -19.049 -17.758 248 HB2 ASP 31 HB2 ASP 31 -13.625 -17.880 -17.494 249 HB3 ASP 31 HB3 ASP 31 -13.498 -19.446 -16.691 250 H THR 32 H THR 32 -14.115 -20.294 -20.611 251 HA THR 32 HA THR 32 -14.275 -17.901 -22.206 252 HB THR 32 HB THR 32 -13.765 -19.488 -24.110 253 HG1 THR 32 HG1 THR 32 -13.188 -21.580 -23.497 254 HG21 THR 32 HG21 THR 32 -11.980 -18.326 -22.832 255 HG22 THR 32 HG22 THR 32 -11.918 -19.691 -21.695 256 HG23 THR 32 HG23 THR 32 -11.479 -19.927 -23.400 257 H GLU 33 H GLU 33 -16.784 -20.063 -21.306 258 HA GLU 33 HA GLU 33 -18.456 -19.125 -23.604 259 HB2 GLU 33 HB2 GLU 33 -17.657 -21.876 -22.915 260 HB3 GLU 33 HB3 GLU 33 -19.380 -21.741 -23.030 261 HG2 GLU 33 HG2 GLU 33 -17.346 -20.940 -25.168 262 HG3 GLU 33 HG3 GLU 33 -18.304 -22.417 -25.138 263 H CYS 34 H CYS 34 -18.425 -19.517 -20.147 264 HA CYS 34 HA CYS 34 -21.256 -19.878 -19.880 265 HB2 CYS 34 HB2 CYS 34 -19.397 -20.406 -18.213 266 HB3 CYS 34 HB3 CYS 34 -19.435 -18.696 -17.769 267 H LYS 35 H LYS 35 -22.665 -18.420 -18.732 268 HA LYS 35 HA LYS 35 -23.020 -15.874 -20.160 269 HB2 LYS 35 HB2 LYS 35 -24.690 -17.327 -18.063 270 HB3 LYS 35 HB3 LYS 35 -25.160 -15.802 -18.829 271 HG2 LYS 35 HG2 LYS 35 -25.019 -16.877 -21.070 272 HG3 LYS 35 HG3 LYS 35 -24.652 -18.430 -20.293 273 HD2 LYS 35 HD2 LYS 35 -26.826 -18.389 -19.129 274 HD3 LYS 35 HD3 LYS 35 -27.190 -16.796 -19.838 275 HE2 LYS 35 HE2 LYS 35 -26.996 -17.765 -22.112 276 HE3 LYS 35 HE3 LYS 35 -26.652 -19.352 -21.413 277 HZ1 LYS 35 HZ1 LYS 35 -29.188 -17.840 -21.036 278 HZ2 LYS 35 HZ2 LYS 35 -29.003 -19.139 -22.005 279 HZ3 LYS 35 HZ3 LYS 35 -28.870 -19.307 -20.387 280 H PHE 36 H PHE 36 -21.476 -16.688 -17.260 281 HA PHE 36 HA PHE 36 -21.337 -13.844 -16.395 282 HB2 PHE 36 HB2 PHE 36 -21.865 -16.206 -14.581 283 HB3 PHE 36 HB3 PHE 36 -21.567 -14.559 -14.044 284 HD1 PHE 36 HD1 PHE 36 -24.105 -16.903 -14.593 285 HD2 PHE 36 HD2 PHE 36 -23.202 -12.719 -15.105 286 HE1 PHE 36 HE1 PHE 36 -26.532 -16.371 -14.529 287 HE2 PHE 36 HE2 PHE 36 -25.630 -12.187 -15.030 288 HZ PHE 36 HZ PHE 36 -27.296 -14.012 -14.741 289 H ALA 37 H ALA 37 -19.524 -13.687 -14.590 290 HA ALA 37 HA ALA 37 -17.123 -14.727 -15.890 291 HB1 ALA 37 HB1 ALA 37 -17.559 -12.901 -13.509 292 HB2 ALA 37 HB2 ALA 37 -15.999 -13.198 -14.322 293 HB3 ALA 37 HB3 ALA 37 -17.315 -12.384 -15.187 294 H HIS 38 H HIS 38 -15.472 -15.928 -14.936 295 HA HIS 38 HA HIS 38 -16.127 -17.581 -12.529 296 HB2 HIS 38 HB2 HIS 38 -14.889 -18.431 -15.169 297 HB3 HIS 38 HB3 HIS 38 -14.836 -19.402 -13.704 298 HD1 HIS 38 HD1 HIS 38 -16.202 -20.630 -16.208 299 HD2 HIS 38 HD2 HIS 38 -18.174 -18.445 -13.210 300 HE1 HIS 38 HE1 HIS 38 -18.668 -21.284 -16.332 301 HA PRO 39 HA PRO 39 -12.130 -15.394 -11.661 302 HB2 PRO 39 HB2 PRO 39 -12.309 -15.590 -8.888 303 HB3 PRO 39 HB3 PRO 39 -12.988 -14.266 -9.873 304 HG2 PRO 39 HG2 PRO 39 -14.384 -16.708 -8.780 305 HG3 PRO 39 HG3 PRO 39 -14.962 -15.013 -8.801 306 HD2 PRO 39 HD2 PRO 39 -15.795 -16.847 -10.617 307 HD3 PRO 39 HD3 PRO 39 -15.526 -15.145 -11.094 308 H SER 40 H SER 40 -10.106 -16.262 -11.247 309 HA SER 40 HA SER 40 -9.879 -19.164 -11.136 310 HB2 SER 40 HB2 SER 40 -7.449 -18.668 -11.444 311 HB3 SER 40 HB3 SER 40 -8.513 -17.978 -12.688 312 HG SER 40 HG SER 40 -7.013 -16.429 -12.017 313 H LYS 41 H LYS 41 -7.705 -17.020 -9.433 314 HA LYS 41 HA LYS 41 -8.274 -18.169 -6.733 315 HB2 LYS 41 HB2 LYS 41 -5.599 -18.368 -8.189 316 HB3 LYS 41 HB3 LYS 41 -5.778 -18.537 -6.434 317 HG2 LYS 41 HG2 LYS 41 -7.418 -20.420 -6.859 318 HG3 LYS 41 HG3 LYS 41 -6.971 -20.357 -8.566 319 HD2 LYS 41 HD2 LYS 41 -5.100 -20.900 -6.222 320 HD3 LYS 41 HD3 LYS 41 -5.747 -22.122 -7.305 321 HE2 LYS 41 HE2 LYS 41 -3.914 -19.833 -8.167 322 HE3 LYS 41 HE3 LYS 41 -3.366 -21.456 -7.753 323 HZ1 LYS 41 HZ1 LYS 41 -5.210 -20.827 -9.996 324 HZ2 LYS 41 HZ2 LYS 41 -3.639 -21.241 -10.137 325 HZ3 LYS 41 HZ3 LYS 41 -4.715 -22.329 -9.580 326 H SER 42 H SER 42 -5.938 -16.010 -8.456 327 HA SER 42 HA SER 42 -5.738 -14.210 -6.174 328 HB2 SER 42 HB2 SER 42 -4.838 -13.775 -9.047 329 HB3 SER 42 HB3 SER 42 -4.362 -12.823 -7.629 330 HG SER 42 HG SER 42 -3.511 -14.837 -6.748 331 H CYS 43 H CYS 43 -8.002 -14.431 -8.797 332 HA CYS 43 HA CYS 43 -8.710 -11.757 -9.234 333 HB2 CYS 43 HB2 CYS 43 -10.456 -14.244 -9.316 334 HB3 CYS 43 HB3 CYS 43 -10.865 -12.667 -9.998 335 HG CYS 43 HG CYS 43 -8.345 -14.719 -10.821 336 H GLN 44 H GLN 44 -9.634 -10.229 -8.038 337 HA GLN 44 HA GLN 44 -10.725 -10.831 -5.365 338 HB2 GLN 44 HB2 GLN 44 -9.056 -9.052 -5.729 339 HB3 GLN 44 HB3 GLN 44 -10.167 -8.202 -6.817 340 HG2 GLN 44 HG2 GLN 44 -11.752 -7.870 -4.975 341 HG3 GLN 44 HG3 GLN 44 -10.741 -8.824 -3.884 342 HE21 GLN 44 HE21 GLN 44 -11.603 -6.160 -3.310 343 HE22 GLN 44 HE22 GLN 44 -10.150 -5.151 -3.296 344 H VAL 45 H VAL 45 -12.856 -10.729 -4.824 345 HA VAL 45 HA VAL 45 -14.834 -9.746 -6.797 346 HB VAL 45 HB VAL 45 -15.822 -11.602 -6.973 347 HG11 VAL 45 HG11 VAL 45 -13.858 -12.992 -5.157 348 HG12 VAL 45 HG12 VAL 45 -14.945 -13.757 -6.338 349 HG13 VAL 45 HG13 VAL 45 -13.658 -12.694 -6.905 350 HG21 VAL 45 HG21 VAL 45 -17.253 -11.247 -5.141 351 HG22 VAL 45 HG22 VAL 45 -16.868 -12.957 -5.248 352 HG23 VAL 45 HG23 VAL 45 -16.068 -11.967 -4.004 353 H GLU 46 H GLU 46 -16.691 -8.811 -6.039 354 HA GLU 46 HA GLU 46 -16.901 -8.154 -3.151 355 HB2 GLU 46 HB2 GLU 46 -17.009 -6.077 -5.383 356 HB3 GLU 46 HB3 GLU 46 -17.248 -5.765 -3.673 357 HG2 GLU 46 HG2 GLU 46 -14.646 -6.634 -5.013 358 HG3 GLU 46 HG3 GLU 46 -15.070 -5.003 -4.523 359 H ASN 47 H ASN 47 -18.995 -8.167 -2.479 360 HA ASN 47 HA ASN 47 -21.201 -8.697 -2.494 361 HB2 ASN 47 HB2 ASN 47 -20.898 -6.175 -2.830 362 HB3 ASN 47 HB3 ASN 47 -21.315 -6.456 -4.524 363 HD21 ASN 47 HD21 ASN 47 -23.237 -5.179 -4.400 364 HD22 ASN 47 HD22 ASN 47 -24.631 -5.728 -3.480 365 H GLY 48 H GLY 48 -19.946 -10.497 -4.349 366 HA2 GLY 48 HA2 GLY 48 -20.818 -12.226 -5.666 367 HA3 GLY 48 HA3 GLY 48 -22.325 -11.322 -5.862 368 H ARG 49 H ARG 49 -19.370 -9.652 -6.649 369 HA ARG 49 HA ARG 49 -19.563 -10.235 -9.549 370 HB2 ARG 49 HB2 ARG 49 -19.515 -7.403 -8.418 371 HB3 ARG 49 HB3 ARG 49 -19.619 -7.887 -10.117 372 HG2 ARG 49 HG2 ARG 49 -21.853 -8.977 -9.570 373 HG3 ARG 49 HG3 ARG 49 -21.761 -8.215 -7.976 374 HD2 ARG 49 HD2 ARG 49 -21.726 -6.004 -8.978 375 HD3 ARG 49 HD3 ARG 49 -21.633 -6.700 -10.607 376 HE ARG 49 HE ARG 49 -23.901 -7.796 -10.054 377 HH11 ARG 49 HH11 ARG 49 -26.401 -5.682 -9.376 378 HH12 ARG 49 HH12 ARG 49 -25.864 -7.251 -9.981 379 HH21 ARG 49 HH21 ARG 49 -24.854 -4.189 -8.709 380 HH22 ARG 49 HH22 ARG 49 -23.161 -4.600 -8.780 381 H VAL 50 H VAL 50 -17.800 -9.322 -10.781 382 HA VAL 50 HA VAL 50 -15.194 -9.063 -9.351 383 HB VAL 50 HB VAL 50 -14.244 -10.526 -11.198 384 HG11 VAL 50 HG11 VAL 50 -15.979 -11.903 -9.140 385 HG12 VAL 50 HG12 VAL 50 -14.593 -12.612 -9.987 386 HG13 VAL 50 HG13 VAL 50 -14.335 -11.266 -8.875 387 HG21 VAL 50 HG21 VAL 50 -16.167 -10.777 -12.704 388 HG22 VAL 50 HG22 VAL 50 -15.680 -12.356 -12.059 389 HG23 VAL 50 HG23 VAL 50 -17.114 -11.551 -11.423 390 H ILE 51 H ILE 51 -13.844 -7.607 -10.250 391 HA ILE 51 HA ILE 51 -14.880 -5.968 -12.470 392 HB ILE 51 HB ILE 51 -12.492 -5.686 -10.624 393 HG12 ILE 51 HG12 ILE 51 -15.147 -4.227 -10.831 394 HG13 ILE 51 HG13 ILE 51 -14.722 -5.419 -9.602 395 HG21 ILE 51 HG21 ILE 51 -12.001 -4.620 -12.847 396 HG22 ILE 51 HG22 ILE 51 -13.521 -3.708 -12.723 397 HG23 ILE 51 HG23 ILE 51 -12.186 -3.434 -11.579 398 HD11 ILE 51 HD11 ILE 51 -12.952 -3.919 -8.743 399 HD12 ILE 51 HD12 ILE 51 -13.484 -2.673 -9.903 400 HD13 ILE 51 HD13 ILE 51 -14.594 -3.237 -8.650 401 H ALA 52 H ALA 52 -14.344 -6.201 -14.535 402 HA ALA 52 HA ALA 52 -12.442 -8.175 -15.437 403 HB1 ALA 52 HB1 ALA 52 -13.960 -5.999 -16.934 404 HB2 ALA 52 HB2 ALA 52 -13.052 -7.327 -17.687 405 HB3 ALA 52 HB3 ALA 52 -14.482 -7.678 -16.697 406 H CYS 53 H CYS 53 -10.424 -7.886 -16.391 407 HA CYS 53 HA CYS 53 -8.802 -5.845 -15.284 408 HB2 CYS 53 HB2 CYS 53 -8.108 -8.173 -15.778 409 HB3 CYS 53 HB3 CYS 53 -8.093 -7.790 -17.502 410 H PHE 54 H PHE 54 -9.209 -3.834 -15.781 411 HA PHE 54 HA PHE 54 -9.709 -2.740 -18.390 412 HB2 PHE 54 HB2 PHE 54 -9.054 -0.574 -17.340 413 HB3 PHE 54 HB3 PHE 54 -10.331 -1.426 -16.501 414 HD1 PHE 54 HD1 PHE 54 -6.796 -0.352 -16.335 415 HD2 PHE 54 HD2 PHE 54 -10.017 -2.320 -14.242 416 HE1 PHE 54 HE1 PHE 54 -5.479 -0.273 -14.251 417 HE2 PHE 54 HE2 PHE 54 -8.715 -2.203 -12.136 418 HZ PHE 54 HZ PHE 54 -6.440 -1.182 -12.127 419 H ASP 55 H ASP 55 -6.704 -3.382 -16.569 420 HA ASP 55 HA ASP 55 -4.914 -2.071 -18.393 421 HB2 ASP 55 HB2 ASP 55 -4.455 -4.433 -16.538 422 HB3 ASP 55 HB3 ASP 55 -3.197 -3.617 -17.450 423 H SER 56 H SER 56 -6.171 -5.491 -18.334 424 HA SER 56 HA SER 56 -4.701 -6.299 -20.660 425 HB2 SER 56 HB2 SER 56 -5.658 -7.889 -19.097 426 HB3 SER 56 HB3 SER 56 -7.304 -7.394 -19.526 427 HG SER 56 HG SER 56 -6.464 -9.307 -20.631 428 H LEU 57 H LEU 57 -7.998 -4.915 -20.321 429 HA LEU 57 HA LEU 57 -8.674 -5.007 -23.114 430 HB2 LEU 57 HB2 LEU 57 -9.658 -3.447 -20.708 431 HB3 LEU 57 HB3 LEU 57 -10.285 -3.076 -22.306 432 HG LEU 57 HG LEU 57 -10.369 -5.904 -21.191 433 HD11 LEU 57 HD11 LEU 57 -11.593 -4.421 -19.660 434 HD12 LEU 57 HD12 LEU 57 -12.502 -3.734 -21.025 435 HD13 LEU 57 HD13 LEU 57 -12.714 -5.440 -20.572 436 HD21 LEU 57 HD21 LEU 57 -10.696 -5.730 -23.629 437 HD22 LEU 57 HD22 LEU 57 -12.227 -6.136 -22.841 438 HD23 LEU 57 HD23 LEU 57 -11.934 -4.477 -23.391 439 H LYS 58 H LYS 58 -7.144 -2.390 -21.190 440 HA LYS 58 HA LYS 58 -7.023 -0.571 -23.493 441 HB2 LYS 58 HB2 LYS 58 -5.834 -0.398 -20.696 442 HB3 LYS 58 HB3 LYS 58 -5.761 0.889 -21.883 443 HG2 LYS 58 HG2 LYS 58 -8.306 -0.232 -20.626 444 HG3 LYS 58 HG3 LYS 58 -7.520 1.282 -20.221 445 HD2 LYS 58 HD2 LYS 58 -8.914 0.596 -22.839 446 HD3 LYS 58 HD3 LYS 58 -9.507 1.658 -21.557 447 HE2 LYS 58 HE2 LYS 58 -7.567 3.185 -21.930 448 HE3 LYS 58 HE3 LYS 58 -7.000 2.140 -23.239 449 HZ1 LYS 58 HZ1 LYS 58 -9.082 2.605 -24.423 450 HZ2 LYS 58 HZ2 LYS 58 -9.602 3.577 -23.214 451 HZ3 LYS 58 HZ3 LYS 58 -8.297 3.998 -24.098 452 H GLY 59 H GLY 59 -4.917 -3.065 -22.347 453 HA2 GLY 59 HA2 GLY 59 -3.148 -3.916 -23.664 454 HA3 GLY 59 HA3 GLY 59 -2.948 -2.365 -24.468 455 H ARG 60 H ARG 60 -2.987 -3.107 -20.976 456 HA ARG 60 HA ARG 60 -0.139 -2.216 -20.698 457 HB2 ARG 60 HB2 ARG 60 -1.729 -0.432 -20.075 458 HB3 ARG 60 HB3 ARG 60 -2.558 -1.515 -18.965 459 HG2 ARG 60 HG2 ARG 60 -1.125 0.085 -17.795 460 HG3 ARG 60 HG3 ARG 60 -0.658 -1.575 -17.470 461 HD2 ARG 60 HD2 ARG 60 1.186 -1.287 -19.244 462 HD3 ARG 60 HD3 ARG 60 0.726 0.408 -19.328 463 HE ARG 60 HE ARG 60 1.774 0.793 -17.290 464 HH11 ARG 60 HH11 ARG 60 2.625 -2.992 -16.323 465 HH12 ARG 60 HH12 ARG 60 1.513 -2.710 -17.635 466 HH21 ARG 60 HH21 ARG 60 3.505 -1.321 -15.206 467 HH22 ARG 60 HH22 ARG 60 3.150 0.331 -15.617 468 H CYS 61 H CYS 61 -2.482 -4.651 -19.687 469 HA CYS 61 HA CYS 61 -1.191 -5.352 -17.274 470 HB2 CYS 61 HB2 CYS 61 -3.535 -5.953 -18.065 471 HB3 CYS 61 HB3 CYS 61 -2.813 -7.294 -18.952 472 H SER 62 H SER 62 0.212 -6.824 -16.664 473 HA SER 62 HA SER 62 1.656 -8.652 -18.461 474 HB2 SER 62 HB2 SER 62 3.870 -7.708 -17.920 475 HB3 SER 62 HB3 SER 62 2.866 -6.554 -18.802 476 HG SER 62 HG SER 62 3.979 -5.643 -16.969 477 H ARG 63 H ARG 63 0.096 -8.349 -15.696 478 HA ARG 63 HA ARG 63 1.852 -9.364 -13.638 479 HB2 ARG 63 HB2 ARG 63 -1.177 -9.192 -13.963 480 HB3 ARG 63 HB3 ARG 63 -0.402 -9.756 -12.483 481 HG2 ARG 63 HG2 ARG 63 0.738 -7.607 -12.196 482 HG3 ARG 63 HG3 ARG 63 0.008 -6.979 -13.682 483 HD2 ARG 63 HD2 ARG 63 -1.608 -8.023 -11.316 484 HD3 ARG 63 HD3 ARG 63 -1.132 -6.336 -11.479 485 HE ARG 63 HE ARG 63 -3.080 -7.795 -13.250 486 HH11 ARG 63 HH11 ARG 63 -2.921 -3.870 -13.536 487 HH12 ARG 63 HH12 ARG 63 -1.684 -4.605 -12.504 488 HH21 ARG 63 HH21 ARG 63 -4.298 -4.972 -14.593 489 HH22 ARG 63 HH22 ARG 63 -4.344 -6.724 -14.556 490 H GLU 64 H GLU 64 1.543 -11.294 -12.460 491 HA GLU 64 HA GLU 64 0.757 -13.728 -14.035 492 HB2 GLU 64 HB2 GLU 64 3.021 -13.408 -12.027 493 HB3 GLU 64 HB3 GLU 64 2.517 -14.932 -12.771 494 HG2 GLU 64 HG2 GLU 64 3.029 -13.992 -15.025 495 HG3 GLU 64 HG3 GLU 64 3.631 -12.519 -14.262 496 H ASN 65 H ASN 65 -0.147 -11.831 -11.540 497 HA ASN 65 HA ASN 65 -1.855 -13.869 -10.248 498 HB2 ASN 65 HB2 ASN 65 0.214 -12.090 -8.891 499 HB3 ASN 65 HB3 ASN 65 -1.193 -12.689 -8.011 500 HD21 ASN 65 HD21 ASN 65 -1.604 -15.099 -8.094 501 HD22 ASN 65 HD22 ASN 65 -0.164 -16.110 -7.983 502 H CYS 66 H CYS 66 -2.420 -11.940 -12.243 503 HA CYS 66 HA CYS 66 -3.334 -9.448 -11.441 504 HB2 CYS 66 HB2 CYS 66 -3.024 -10.470 -13.761 505 HB3 CYS 66 HB3 CYS 66 -4.601 -11.243 -13.548 506 H LYS 67 H LYS 67 -4.935 -8.721 -10.251 507 HA LYS 67 HA LYS 67 -6.784 -10.574 -8.925 508 HB2 LYS 67 HB2 LYS 67 -6.905 -7.583 -8.560 509 HB3 LYS 67 HB3 LYS 67 -7.338 -8.874 -7.450 510 HG2 LYS 67 HG2 LYS 67 -4.851 -9.483 -7.358 511 HG3 LYS 67 HG3 LYS 67 -4.544 -7.952 -8.208 512 HD2 LYS 67 HD2 LYS 67 -6.024 -8.261 -5.557 513 HD3 LYS 67 HD3 LYS 67 -4.331 -7.781 -5.715 514 HE2 LYS 67 HE2 LYS 67 -4.887 -5.706 -6.773 515 HE3 LYS 67 HE3 LYS 67 -6.555 -6.202 -7.073 516 HZ1 LYS 67 HZ1 LYS 67 -5.466 -5.787 -4.350 517 HZ2 LYS 67 HZ2 LYS 67 -6.352 -4.684 -5.173 518 HZ3 LYS 67 HZ3 LYS 67 -7.033 -6.105 -4.754 519 H TYR 68 H TYR 68 -6.975 -9.182 -11.861 520 HA TYR 68 HA TYR 68 -9.916 -8.675 -11.718 521 HB2 TYR 68 HB2 TYR 68 -7.829 -7.417 -13.514 522 HB3 TYR 68 HB3 TYR 68 -9.544 -7.028 -13.452 523 HD1 TYR 68 HD1 TYR 68 -10.518 -5.914 -11.449 524 HD2 TYR 68 HD2 TYR 68 -6.274 -6.543 -11.834 525 HE1 TYR 68 HE1 TYR 68 -10.120 -4.287 -9.606 526 HE2 TYR 68 HE2 TYR 68 -5.868 -4.914 -9.990 527 HH TYR 68 HH TYR 68 -8.547 -3.250 -8.288 528 H LEU 69 H LEU 69 -11.200 -9.299 -13.426 529 HA LEU 69 HA LEU 69 -10.457 -11.865 -14.563 530 HB2 LEU 69 HB2 LEU 69 -12.919 -10.147 -14.412 531 HB3 LEU 69 HB3 LEU 69 -12.854 -11.308 -15.718 532 HG LEU 69 HG LEU 69 -14.016 -12.058 -13.645 533 HD11 LEU 69 HD11 LEU 69 -13.152 -14.340 -13.716 534 HD12 LEU 69 HD12 LEU 69 -13.222 -13.655 -15.348 535 HD13 LEU 69 HD13 LEU 69 -11.663 -13.787 -14.507 536 HD21 LEU 69 HD21 LEU 69 -12.797 -12.839 -11.731 537 HD22 LEU 69 HD22 LEU 69 -11.241 -12.461 -12.491 538 HD23 LEU 69 HD23 LEU 69 -12.312 -11.149 -12.001 539 H HIS 70 H HIS 70 -9.168 -12.076 -16.291 540 HA HIS 70 HA HIS 70 -8.986 -10.098 -18.414 541 HB2 HIS 70 HB2 HIS 70 -8.045 -12.961 -18.121 542 HB3 HIS 70 HB3 HIS 70 -7.951 -12.109 -19.661 543 HD1 HIS 70 HD1 HIS 70 -5.255 -12.052 -19.588 544 HD2 HIS 70 HD2 HIS 70 -7.265 -10.020 -16.499 545 HE1 HIS 70 HE1 HIS 70 -3.574 -10.426 -18.556 546 HA PRO 71 HA PRO 71 -13.082 -11.139 -19.584 547 HB2 PRO 71 HB2 PRO 71 -13.509 -9.593 -21.770 548 HB3 PRO 71 HB3 PRO 71 -13.316 -8.989 -20.102 549 HG2 PRO 71 HG2 PRO 71 -11.156 -9.148 -22.219 550 HG3 PRO 71 HG3 PRO 71 -11.654 -7.742 -21.219 551 HD2 PRO 71 HD2 PRO 71 -9.578 -9.322 -20.479 552 HD3 PRO 71 HD3 PRO 71 -10.713 -8.660 -19.264 553 HA PRO 72 HA PRO 72 -12.452 -14.468 -22.573 554 HB2 PRO 72 HB2 PRO 72 -14.772 -15.841 -22.163 555 HB3 PRO 72 HB3 PRO 72 -13.442 -15.822 -20.955 556 HG2 PRO 72 HG2 PRO 72 -15.977 -14.176 -21.015 557 HG3 PRO 72 HG3 PRO 72 -15.256 -15.029 -19.616 558 HD2 PRO 72 HD2 PRO 72 -14.891 -12.349 -20.085 559 HD3 PRO 72 HD3 PRO 72 -13.665 -13.374 -19.282 560 HA PRO 73 HA PRO 73 -14.427 -13.064 -26.305 561 HB2 PRO 73 HB2 PRO 73 -15.146 -15.961 -26.803 562 HB3 PRO 73 HB3 PRO 73 -14.452 -14.760 -27.938 563 HG2 PRO 73 HG2 PRO 73 -12.847 -16.587 -26.755 564 HG3 PRO 73 HG3 PRO 73 -12.319 -14.877 -26.866 565 HD2 PRO 73 HD2 PRO 73 -13.492 -16.331 -24.492 566 HD3 PRO 73 HD3 PRO 73 -12.130 -15.171 -24.562 567 H HIS 74 H HIS 74 -16.399 -15.493 -24.549 568 HA HIS 74 HA HIS 74 -18.929 -14.718 -25.650 569 HB2 HIS 74 HB2 HIS 74 -18.234 -16.891 -24.462 570 HB3 HIS 74 HB3 HIS 74 -18.452 -16.040 -22.935 571 HD1 HIS 74 HD1 HIS 74 -20.284 -18.053 -25.438 572 HD2 HIS 74 HD2 HIS 74 -21.137 -15.142 -22.499 573 HE1 HIS 74 HE1 HIS 74 -22.832 -18.141 -25.040 574 HE2 HIS 74 HE2 HIS 74 -23.340 -16.368 -23.239 575 H LEU 75 H LEU 75 -17.066 -13.183 -23.137 576 HA LEU 75 HA LEU 75 -19.435 -11.502 -22.387 577 HB2 LEU 75 HB2 LEU 75 -16.936 -12.086 -20.799 578 HB3 LEU 75 HB3 LEU 75 -18.218 -11.014 -20.297 579 HG LEU 75 HG LEU 75 -18.642 -13.982 -20.866 580 HD11 LEU 75 HD11 LEU 75 -17.130 -13.395 -18.822 581 HD12 LEU 75 HD12 LEU 75 -18.655 -12.909 -18.055 582 HD13 LEU 75 HD13 LEU 75 -18.462 -14.548 -18.666 583 HD21 LEU 75 HD21 LEU 75 -20.713 -12.664 -21.047 584 HD22 LEU 75 HD22 LEU 75 -20.744 -13.636 -19.573 585 HD23 LEU 75 HD23 LEU 75 -20.391 -11.896 -19.480 586 H LYS 76 H LYS 76 -16.325 -11.346 -23.974 587 HA LYS 76 HA LYS 76 -15.786 -8.552 -23.636 588 HB2 LYS 76 HB2 LYS 76 -15.255 -10.481 -25.917 589 HB3 LYS 76 HB3 LYS 76 -14.882 -8.749 -26.044 590 HG2 LYS 76 HG2 LYS 76 -13.397 -8.842 -24.108 591 HG3 LYS 76 HG3 LYS 76 -13.881 -10.505 -23.769 592 HD2 LYS 76 HD2 LYS 76 -11.670 -10.453 -24.813 593 HD3 LYS 76 HD3 LYS 76 -12.842 -11.324 -25.787 594 HE2 LYS 76 HE2 LYS 76 -11.483 -10.038 -27.272 595 HE3 LYS 76 HE3 LYS 76 -13.095 -9.329 -27.273 596 HZ1 LYS 76 HZ1 LYS 76 -10.761 -8.285 -25.746 597 HZ2 LYS 76 HZ2 LYS 76 -11.350 -7.638 -27.121 598 HZ3 LYS 76 HZ3 LYS 76 -12.249 -7.596 -25.761 599 H THR 77 H THR 77 -18.128 -10.193 -25.799 600 HA THR 77 HA THR 77 -18.949 -7.887 -27.273 601 HB THR 77 HB THR 77 -20.680 -10.239 -26.402 602 HG1 THR 77 HG1 THR 77 -19.021 -9.992 -28.692 603 HG21 THR 77 HG21 THR 77 -21.993 -8.510 -27.506 604 HG22 THR 77 HG22 THR 77 -20.808 -8.395 -28.828 605 HG23 THR 77 HG23 THR 77 -21.779 -9.872 -28.611 606 H GLN 78 H GLN 78 -20.062 -9.179 -24.120 607 HA GLN 78 HA GLN 78 -22.133 -7.191 -23.730 608 HB2 GLN 78 HB2 GLN 78 -20.634 -8.957 -21.731 609 HB3 GLN 78 HB3 GLN 78 -22.106 -8.030 -21.403 610 HG2 GLN 78 HG2 GLN 78 -21.818 -10.398 -23.309 611 HG3 GLN 78 HG3 GLN 78 -22.634 -10.387 -21.755 612 HE21 GLN 78 HE21 GLN 78 -24.681 -9.079 -21.566 613 HE22 GLN 78 HE22 GLN 78 -25.599 -8.789 -23.036 614 H LEU 79 H LEU 79 -18.763 -7.499 -22.512 615 HA LEU 79 HA LEU 79 -18.723 -5.061 -21.024 616 HB2 LEU 79 HB2 LEU 79 -16.499 -6.640 -22.362 617 HB3 LEU 79 HB3 LEU 79 -16.219 -5.302 -21.254 618 HG LEU 79 HG LEU 79 -17.777 -7.814 -20.472 619 HD11 LEU 79 HD11 LEU 79 -14.873 -7.091 -19.984 620 HD12 LEU 79 HD12 LEU 79 -15.739 -8.490 -19.298 621 HD13 LEU 79 HD13 LEU 79 -15.496 -8.382 -21.049 622 HD21 LEU 79 HD21 LEU 79 -17.242 -7.022 -18.154 623 HD22 LEU 79 HD22 LEU 79 -16.582 -5.529 -18.850 624 HD23 LEU 79 HD23 LEU 79 -18.308 -5.920 -19.024 625 H GLU 80 H GLU 80 -17.909 -5.620 -24.476 626 HA GLU 80 HA GLU 80 -16.968 -3.026 -25.189 627 HB2 GLU 80 HB2 GLU 80 -18.579 -5.181 -26.613 628 HB3 GLU 80 HB3 GLU 80 -18.273 -3.652 -27.414 629 HG2 GLU 80 HG2 GLU 80 -16.085 -5.497 -26.437 630 HG3 GLU 80 HG3 GLU 80 -16.850 -5.556 -28.032 631 H ILE 81 H ILE 81 -20.261 -4.347 -25.269 632 HA ILE 81 HA ILE 81 -21.556 -1.919 -26.087 633 HB ILE 81 HB ILE 81 -22.483 -4.629 -25.093 634 HG12 ILE 81 HG12 ILE 81 -22.616 -3.330 -27.870 635 HG13 ILE 81 HG13 ILE 81 -21.218 -4.244 -27.346 636 HG21 ILE 81 HG21 ILE 81 -24.216 -2.366 -26.187 637 HG22 ILE 81 HG22 ILE 81 -24.738 -4.051 -25.957 638 HG23 ILE 81 HG23 ILE 81 -24.297 -3.073 -24.557 639 HD11 ILE 81 HD11 ILE 81 -23.954 -5.324 -27.918 640 HD12 ILE 81 HD12 ILE 81 -22.350 -5.767 -28.580 641 HD13 ILE 81 HD13 ILE 81 -22.774 -6.218 -26.928 642 H ASN 82 H ASN 82 -21.067 -3.407 -22.874 643 HA ASN 82 HA ASN 82 -22.646 -1.490 -21.399 644 HB2 ASN 82 HB2 ASN 82 -20.247 -3.206 -20.602 645 HB3 ASN 82 HB3 ASN 82 -21.187 -2.232 -19.474 646 HD21 ASN 82 HD21 ASN 82 -20.909 -4.856 -18.939 647 HD22 ASN 82 HD22 ASN 82 -22.456 -5.655 -19.192 648 H GLY 83 H GLY 83 -19.210 -1.527 -22.452 649 HA2 GLY 83 HA2 GLY 83 -18.413 0.918 -21.162 650 HA3 GLY 83 HA3 GLY 83 -17.611 0.123 -22.527 651 H ARG 84 H ARG 84 -19.454 0.217 -24.538 652 HA ARG 84 HA ARG 84 -19.366 2.861 -25.592 653 HB2 ARG 84 HB2 ARG 84 -21.067 0.427 -26.240 654 HB3 ARG 84 HB3 ARG 84 -21.193 1.927 -27.162 655 HG2 ARG 84 HG2 ARG 84 -18.947 1.801 -27.948 656 HG3 ARG 84 HG3 ARG 84 -18.502 0.571 -26.769 657 HD2 ARG 84 HD2 ARG 84 -18.728 -0.458 -28.945 658 HD3 ARG 84 HD3 ARG 84 -19.981 -1.066 -27.852 659 HE ARG 84 HE ARG 84 -20.921 1.192 -29.415 660 HH11 ARG 84 HH11 ARG 84 -22.693 -0.686 -31.687 661 HH12 ARG 84 HH12 ARG 84 -22.446 0.893 -31.005 662 HH21 ARG 84 HH21 ARG 84 -21.537 -2.422 -30.997 663 HH22 ARG 84 HH22 ARG 84 -20.324 -2.242 -29.759 664 H ASN 85 H ASN 85 -21.837 1.393 -23.543 665 HA ASN 85 HA ASN 85 -23.807 3.467 -23.909 666 HB2 ASN 85 HB2 ASN 85 -24.207 1.090 -23.133 667 HB3 ASN 85 HB3 ASN 85 -23.465 1.519 -21.592 668 HD21 ASN 85 HD21 ASN 85 -25.097 1.727 -20.088 669 HD22 ASN 85 HD22 ASN 85 -26.623 2.538 -20.405 670 H ASN 86 H ASN 86 -20.800 3.653 -22.268 671 HA ASN 86 HA ASN 86 -21.755 6.047 -20.750 672 HB2 ASN 86 HB2 ASN 86 -21.424 4.000 -19.296 673 HB3 ASN 86 HB3 ASN 86 -19.707 4.030 -19.727 674 HD21 ASN 86 HD21 ASN 86 -22.234 6.386 -18.587 675 HD22 ASN 86 HD22 ASN 86 -21.176 7.114 -17.394 676 H LEU 87 H LEU 87 -18.977 4.579 -22.477 677 HA LEU 87 HA LEU 87 -17.111 6.685 -22.101 678 HB2 LEU 87 HB2 LEU 87 -17.502 4.445 -24.069 679 HB3 LEU 87 HB3 LEU 87 -16.447 5.758 -24.560 680 HG LEU 87 HG LEU 87 -15.019 5.480 -22.619 681 HD11 LEU 87 HD11 LEU 87 -16.615 4.605 -20.937 682 HD12 LEU 87 HD12 LEU 87 -16.737 3.085 -21.851 683 HD13 LEU 87 HD13 LEU 87 -15.202 3.564 -21.110 684 HD21 LEU 87 HD21 LEU 87 -14.052 3.300 -23.226 685 HD22 LEU 87 HD22 LEU 87 -15.558 2.847 -24.056 686 HD23 LEU 87 HD23 LEU 87 -14.565 4.188 -24.670 687 H ILE 88 H ILE 88 -19.956 6.686 -24.043 688 HA ILE 88 HA ILE 88 -19.327 8.779 -25.901 689 HB ILE 88 HB ILE 88 -21.835 8.915 -26.133 690 HG12 ILE 88 HG12 ILE 88 -21.863 6.634 -24.094 691 HG13 ILE 88 HG13 ILE 88 -22.400 8.285 -23.779 692 HG21 ILE 88 HG21 ILE 88 -20.414 7.472 -27.520 693 HG22 ILE 88 HG22 ILE 88 -20.583 6.148 -26.355 694 HG23 ILE 88 HG23 ILE 88 -21.995 6.741 -27.252 695 HD11 ILE 88 HD11 ILE 88 -24.317 6.895 -24.194 696 HD12 ILE 88 HD12 ILE 88 -24.145 8.025 -25.554 697 HD13 ILE 88 HD13 ILE 88 -23.656 6.319 -25.731 698 H GLN 89 H GLN 89 -19.704 9.067 -22.520 699 HA GLN 89 HA GLN 89 -20.076 12.009 -22.779 700 HB2 GLN 89 HB2 GLN 89 -22.287 10.955 -22.330 701 HB3 GLN 89 HB3 GLN 89 -21.636 10.226 -20.858 702 HG2 GLN 89 HG2 GLN 89 -21.216 12.488 -19.919 703 HG3 GLN 89 HG3 GLN 89 -21.805 13.227 -21.412 704 HE21 GLN 89 HE21 GLN 89 -22.753 12.280 -18.280 705 HE22 GLN 89 HE22 GLN 89 -24.485 12.268 -18.574 706 H GLN 90 H GLN 90 -18.751 13.161 -21.526 707 HA GLN 90 HA GLN 90 -17.617 12.163 -19.022 708 HB2 GLN 90 HB2 GLN 90 -16.124 11.187 -20.758 709 HB3 GLN 90 HB3 GLN 90 -15.859 12.783 -21.444 710 HG2 GLN 90 HG2 GLN 90 -13.955 12.001 -20.092 711 HG3 GLN 90 HG3 GLN 90 -14.627 13.492 -19.457 712 HE21 GLN 90 HE21 GLN 90 -14.176 10.018 -18.811 713 HE22 GLN 90 HE22 GLN 90 -14.706 10.120 -17.140 714 H LYS 91 H LYS 91 -16.666 13.812 -17.789 715 HA LYS 91 HA LYS 91 -16.895 16.643 -18.717 716 HB2 LYS 91 HB2 LYS 91 -19.002 15.914 -17.561 717 HB3 LYS 91 HB3 LYS 91 -18.061 15.538 -16.124 718 HG2 LYS 91 HG2 LYS 91 -19.226 17.646 -15.877 719 HG3 LYS 91 HG3 LYS 91 -17.489 17.928 -15.847 720 HD2 LYS 91 HD2 LYS 91 -17.559 18.737 -18.187 721 HD3 LYS 91 HD3 LYS 91 -19.292 18.344 -18.281 722 HE2 LYS 91 HE2 LYS 91 -19.740 19.954 -16.436 723 HE3 LYS 91 HE3 LYS 91 -18.016 20.342 -16.356 724 HZ1 LYS 91 HZ1 LYS 91 -19.757 20.812 -18.720 725 HZ2 LYS 91 HZ2 LYS 91 -19.228 21.964 -17.695 726 HZ3 LYS 91 HZ3 LYS 91 -18.165 21.173 -18.644 727 H ASN 92 H ASN 92 -15.237 14.291 -16.740 728 HA ASN 92 HA ASN 92 -13.019 16.177 -16.290 729 HB2 ASN 92 HB2 ASN 92 -14.551 16.527 -14.352 730 HB3 ASN 92 HB3 ASN 92 -14.474 14.812 -13.966 731 HD21 ASN 92 HD21 ASN 92 -13.385 17.620 -12.801 732 HD22 ASN 92 HD22 ASN 92 -11.803 17.085 -12.226 Start of MODEL 2 1 H MET 1 H MET 1 -16.447 -5.130 13.646 2 HA MET 1 HA MET 1 -18.502 -3.998 13.406 3 HB2 MET 1 HB2 MET 1 -18.132 -1.675 14.033 4 HB3 MET 1 HB3 MET 1 -17.002 -2.732 14.879 5 HG2 MET 1 HG2 MET 1 -15.220 -2.125 13.259 6 HG3 MET 1 HG3 MET 1 -16.352 -1.068 12.410 7 HE1 MET 1 HE1 MET 1 -14.608 0.899 12.543 8 HE2 MET 1 HE2 MET 1 -13.845 1.448 14.051 9 HE3 MET 1 HE3 MET 1 -13.474 -0.166 13.406 10 H ALA 2 H ALA 2 -16.618 -3.948 10.675 11 HA ALA 2 HA ALA 2 -18.765 -2.838 8.992 12 HB1 ALA 2 HB1 ALA 2 -17.229 -1.266 7.841 13 HB2 ALA 2 HB2 ALA 2 -17.373 -0.856 9.557 14 HB3 ALA 2 HB3 ALA 2 -15.925 -1.702 8.968 15 H VAL 3 H VAL 3 -18.289 -3.161 6.662 16 HA VAL 3 HA VAL 3 -16.499 -5.492 6.072 17 HB VAL 3 HB VAL 3 -18.217 -6.434 4.601 18 HG11 VAL 3 HG11 VAL 3 -19.648 -7.383 6.300 19 HG12 VAL 3 HG12 VAL 3 -18.003 -7.222 6.938 20 HG13 VAL 3 HG13 VAL 3 -19.266 -6.072 7.432 21 HG21 VAL 3 HG21 VAL 3 -20.544 -5.708 4.695 22 HG22 VAL 3 HG22 VAL 3 -20.133 -4.372 5.784 23 HG23 VAL 3 HG23 VAL 3 -19.535 -4.380 4.108 24 H SER 4 H SER 4 -16.965 -2.327 5.338 25 HA SER 4 HA SER 4 -15.379 -2.493 2.897 26 HB2 SER 4 HB2 SER 4 -17.774 -2.711 2.102 27 HB3 SER 4 HB3 SER 4 -18.085 -1.100 2.777 28 HG SER 4 HG SER 4 -17.507 -1.079 0.524 29 H VAL 5 H VAL 5 -14.734 -0.313 2.182 30 HA VAL 5 HA VAL 5 -15.016 1.952 4.031 31 HB VAL 5 HB VAL 5 -13.295 0.508 5.105 32 HG11 VAL 5 HG11 VAL 5 -11.506 1.184 2.735 33 HG12 VAL 5 HG12 VAL 5 -11.053 0.312 4.209 34 HG13 VAL 5 HG13 VAL 5 -12.200 -0.418 3.080 35 HG21 VAL 5 HG21 VAL 5 -11.728 2.230 5.653 36 HG22 VAL 5 HG22 VAL 5 -12.125 3.155 4.195 37 HG23 VAL 5 HG23 VAL 5 -13.335 2.954 5.484 38 H THR 6 H THR 6 -13.902 0.670 0.955 39 HA THR 6 HA THR 6 -12.613 2.986 -0.066 40 HB THR 6 HB THR 6 -13.094 1.934 -2.313 41 HG1 THR 6 HG1 THR 6 -15.073 0.879 -1.293 42 HG21 THR 6 HG21 THR 6 -11.070 1.309 -1.032 43 HG22 THR 6 HG22 THR 6 -11.981 0.012 -0.227 44 HG23 THR 6 HG23 THR 6 -11.710 -0.044 -1.981 45 HA PRO 7 HA PRO 7 -16.123 5.509 -1.383 46 HB2 PRO 7 HB2 PRO 7 -14.932 7.188 -3.149 47 HB3 PRO 7 HB3 PRO 7 -14.487 7.202 -1.418 48 HG2 PRO 7 HG2 PRO 7 -13.067 5.760 -3.687 49 HG3 PRO 7 HG3 PRO 7 -12.355 6.860 -2.462 50 HD2 PRO 7 HD2 PRO 7 -12.345 4.134 -2.186 51 HD3 PRO 7 HD3 PRO 7 -12.490 5.230 -0.780 52 H ILE 8 H ILE 8 -16.973 6.309 -3.715 53 HA ILE 8 HA ILE 8 -17.798 4.047 -5.208 54 HB ILE 8 HB ILE 8 -19.016 6.192 -5.027 55 HG12 ILE 8 HG12 ILE 8 -19.867 6.408 -7.295 56 HG13 ILE 8 HG13 ILE 8 -18.509 5.504 -7.949 57 HG21 ILE 8 HG21 ILE 8 -17.109 7.769 -5.290 58 HG22 ILE 8 HG22 ILE 8 -16.995 7.330 -7.007 59 HG23 ILE 8 HG23 ILE 8 -18.445 8.136 -6.384 60 HD11 ILE 8 HD11 ILE 8 -20.593 4.156 -7.738 61 HD12 ILE 8 HD12 ILE 8 -19.282 3.465 -6.772 62 HD13 ILE 8 HD13 ILE 8 -20.573 4.403 -5.981 63 H ARG 9 H ARG 9 -17.342 3.429 -7.424 64 HA ARG 9 HA ARG 9 -14.574 4.079 -8.384 65 HB2 ARG 9 HB2 ARG 9 -15.876 1.338 -8.580 66 HB3 ARG 9 HB3 ARG 9 -14.241 1.796 -9.011 67 HG2 ARG 9 HG2 ARG 9 -13.863 0.680 -7.074 68 HG3 ARG 9 HG3 ARG 9 -13.945 2.330 -6.449 69 HD2 ARG 9 HD2 ARG 9 -16.202 1.955 -5.620 70 HD3 ARG 9 HD3 ARG 9 -16.363 0.461 -6.525 71 HE ARG 9 HE ARG 9 -14.921 0.877 -3.982 72 HH11 ARG 9 HH11 ARG 9 -15.183 -2.797 -5.537 73 HH12 ARG 9 HH12 ARG 9 -15.553 -1.425 -6.571 74 HH21 ARG 9 HH21 ARG 9 -14.691 -2.532 -3.470 75 HH22 ARG 9 HH22 ARG 9 -14.468 -0.930 -2.767 76 H ASP 10 H ASP 10 -14.186 3.968 -10.569 77 HA ASP 10 HA ASP 10 -16.436 4.596 -12.343 78 HB2 ASP 10 HB2 ASP 10 -14.204 5.775 -12.303 79 HB3 ASP 10 HB3 ASP 10 -13.463 4.304 -12.933 80 H THR 11 H THR 11 -15.028 1.707 -11.353 81 HA THR 11 HA THR 11 -14.889 0.122 -13.719 82 HB THR 11 HB THR 11 -14.807 -1.778 -12.064 83 HG1 THR 11 HG1 THR 11 -15.977 -1.193 -10.376 84 HG21 THR 11 HG21 THR 11 -13.037 0.598 -11.345 85 HG22 THR 11 HG22 THR 11 -12.736 -1.105 -10.960 86 HG23 THR 11 HG23 THR 11 -12.739 -0.576 -12.648 87 H LYS 12 H LYS 12 -17.692 1.431 -12.809 88 HA LYS 12 HA LYS 12 -19.625 -0.494 -12.339 89 HB2 LYS 12 HB2 LYS 12 -19.898 1.995 -12.469 90 HB3 LYS 12 HB3 LYS 12 -19.858 1.875 -14.232 91 HG2 LYS 12 HG2 LYS 12 -21.918 0.399 -14.112 92 HG3 LYS 12 HG3 LYS 12 -21.914 0.609 -12.357 93 HD2 LYS 12 HD2 LYS 12 -23.534 2.117 -13.306 94 HD3 LYS 12 HD3 LYS 12 -22.182 3.089 -12.696 95 HE2 LYS 12 HE2 LYS 12 -21.255 3.239 -15.002 96 HE3 LYS 12 HE3 LYS 12 -22.562 2.212 -15.600 97 HZ1 LYS 12 HZ1 LYS 12 -24.134 3.963 -14.956 98 HZ2 LYS 12 HZ2 LYS 12 -22.914 4.912 -14.412 99 HZ3 LYS 12 HZ3 LYS 12 -23.010 4.534 -16.005 100 H TRP 13 H TRP 13 -18.264 0.247 -15.556 101 HA TRP 13 HA TRP 13 -19.983 -1.681 -16.932 102 HB2 TRP 13 HB2 TRP 13 -19.352 -0.656 -18.760 103 HB3 TRP 13 HB3 TRP 13 -18.705 0.574 -17.730 104 HD1 TRP 13 HD1 TRP 13 -17.610 -2.514 -19.736 105 HE1 TRP 13 HE1 TRP 13 -15.260 -2.150 -20.675 106 HE3 TRP 13 HE3 TRP 13 -16.494 1.920 -17.416 107 HZ2 TRP 13 HZ2 TRP 13 -13.150 -0.204 -20.447 108 HZ3 TRP 13 HZ3 TRP 13 -14.309 3.017 -17.833 109 HH2 TRP 13 HH2 TRP 13 -12.627 1.969 -19.326 110 H LEU 14 H LEU 14 -16.967 -1.933 -15.288 111 HA LEU 14 HA LEU 14 -16.122 -4.439 -16.626 112 HB2 LEU 14 HB2 LEU 14 -14.870 -2.722 -14.439 113 HB3 LEU 14 HB3 LEU 14 -14.099 -4.109 -15.185 114 HG LEU 14 HG LEU 14 -14.886 -1.579 -16.699 115 HD11 LEU 14 HD11 LEU 14 -12.201 -2.479 -15.601 116 HD12 LEU 14 HD12 LEU 14 -12.491 -1.062 -16.652 117 HD13 LEU 14 HD13 LEU 14 -13.171 -1.108 -15.023 118 HD21 LEU 14 HD21 LEU 14 -13.071 -3.899 -17.494 119 HD22 LEU 14 HD22 LEU 14 -14.698 -3.598 -18.156 120 HD23 LEU 14 HD23 LEU 14 -13.401 -2.435 -18.438 121 H THR 15 H THR 15 -17.780 -3.471 -13.732 122 HA THR 15 HA THR 15 -17.027 -5.775 -12.125 123 HB THR 15 HB THR 15 -19.329 -3.916 -11.550 124 HG1 THR 15 HG1 THR 15 -17.382 -2.728 -11.904 125 HG21 THR 15 HG21 THR 15 -18.656 -4.391 -9.194 126 HG22 THR 15 HG22 THR 15 -19.218 -5.825 -10.061 127 HG23 THR 15 HG23 THR 15 -17.474 -5.573 -9.792 128 H LEU 16 H LEU 16 -17.482 -7.458 -13.508 129 HA LEU 16 HA LEU 16 -20.091 -8.095 -14.634 130 HB2 LEU 16 HB2 LEU 16 -17.282 -8.837 -14.886 131 HB3 LEU 16 HB3 LEU 16 -18.178 -10.296 -14.551 132 HG LEU 16 HG LEU 16 -18.907 -8.363 -16.785 133 HD11 LEU 16 HD11 LEU 16 -16.635 -9.307 -17.085 134 HD12 LEU 16 HD12 LEU 16 -17.283 -10.940 -16.878 135 HD13 LEU 16 HD13 LEU 16 -17.775 -9.945 -18.275 136 HD21 LEU 16 HD21 LEU 16 -20.137 -10.336 -17.676 137 HD22 LEU 16 HD22 LEU 16 -19.721 -11.252 -16.209 138 HD23 LEU 16 HD23 LEU 16 -20.776 -9.825 -16.111 139 H GLU 17 H GLU 17 -21.518 -9.796 -13.894 140 HA GLU 17 HA GLU 17 -21.274 -10.505 -11.063 141 HB2 GLU 17 HB2 GLU 17 -23.188 -11.729 -13.065 142 HB3 GLU 17 HB3 GLU 17 -23.277 -11.748 -11.302 143 HG2 GLU 17 HG2 GLU 17 -23.243 -9.077 -11.687 144 HG3 GLU 17 HG3 GLU 17 -23.923 -9.556 -13.242 145 H VAL 18 H VAL 18 -21.001 -12.585 -10.150 146 HA VAL 18 HA VAL 18 -19.269 -14.398 -11.718 147 HB VAL 18 HB VAL 18 -18.960 -15.677 -9.740 148 HG11 VAL 18 HG11 VAL 18 -17.887 -14.074 -8.286 149 HG12 VAL 18 HG12 VAL 18 -17.681 -13.562 -9.968 150 HG13 VAL 18 HG13 VAL 18 -18.868 -12.741 -8.919 151 HG21 VAL 18 HG21 VAL 18 -19.963 -15.154 -7.561 152 HG22 VAL 18 HG22 VAL 18 -21.017 -13.947 -8.318 153 HG23 VAL 18 HG23 VAL 18 -21.193 -15.656 -8.729 154 H CYS 19 H CYS 19 -19.822 -16.605 -12.237 155 HA CYS 19 HA CYS 19 -22.544 -16.973 -13.022 156 HB2 CYS 19 HB2 CYS 19 -20.601 -18.003 -14.147 157 HB3 CYS 19 HB3 CYS 19 -20.334 -19.018 -12.736 158 H ARG 20 H ARG 20 -24.235 -17.694 -12.041 159 HA ARG 20 HA ARG 20 -24.345 -18.094 -9.208 160 HB2 ARG 20 HB2 ARG 20 -26.444 -18.708 -11.332 161 HB3 ARG 20 HB3 ARG 20 -26.709 -18.682 -9.597 162 HG2 ARG 20 HG2 ARG 20 -27.468 -16.576 -10.206 163 HG3 ARG 20 HG3 ARG 20 -25.830 -16.233 -9.638 164 HD2 ARG 20 HD2 ARG 20 -25.032 -16.055 -11.960 165 HD3 ARG 20 HD3 ARG 20 -26.583 -16.603 -12.583 166 HE ARG 20 HE ARG 20 -25.829 -13.929 -11.626 167 HH11 ARG 20 HH11 ARG 20 -29.627 -14.536 -12.664 168 HH12 ARG 20 HH12 ARG 20 -28.616 -15.924 -12.373 169 HH21 ARG 20 HH21 ARG 20 -28.822 -12.499 -12.453 170 HH22 ARG 20 HH22 ARG 20 -27.147 -12.220 -12.036 171 H GLU 21 H GLU 21 -23.911 -20.411 -11.798 172 HA GLU 21 HA GLU 21 -24.596 -22.685 -10.071 173 HB2 GLU 21 HB2 GLU 21 -23.254 -22.579 -12.795 174 HB3 GLU 21 HB3 GLU 21 -23.860 -24.032 -12.002 175 HG2 GLU 21 HG2 GLU 21 -25.575 -21.676 -12.940 176 HG3 GLU 21 HG3 GLU 21 -25.376 -23.203 -13.784 177 H PHE 22 H PHE 22 -21.708 -21.005 -11.318 178 HA PHE 22 HA PHE 22 -19.684 -22.719 -10.235 179 HB2 PHE 22 HB2 PHE 22 -19.419 -21.009 -12.004 180 HB3 PHE 22 HB3 PHE 22 -19.670 -19.746 -10.830 181 HD1 PHE 22 HD1 PHE 22 -17.922 -19.126 -9.214 182 HD2 PHE 22 HD2 PHE 22 -17.306 -22.202 -12.173 183 HE1 PHE 22 HE1 PHE 22 -15.468 -18.981 -8.855 184 HE2 PHE 22 HE2 PHE 22 -14.851 -22.071 -11.793 185 HZ PHE 22 HZ PHE 22 -13.930 -20.454 -10.139 186 H GLN 23 H GLN 23 -21.671 -20.148 -8.806 187 HA GLN 23 HA GLN 23 -20.202 -19.751 -6.389 188 HB2 GLN 23 HB2 GLN 23 -23.179 -19.547 -6.966 189 HB3 GLN 23 HB3 GLN 23 -22.490 -19.149 -5.398 190 HG2 GLN 23 HG2 GLN 23 -21.050 -17.420 -6.524 191 HG3 GLN 23 HG3 GLN 23 -21.964 -17.708 -8.007 192 HE21 GLN 23 HE21 GLN 23 -21.848 -15.657 -5.362 193 HE22 GLN 23 HE22 GLN 23 -23.534 -15.160 -5.389 194 H ARG 24 H ARG 24 -22.075 -22.485 -7.401 195 HA ARG 24 HA ARG 24 -21.837 -23.761 -4.699 196 HB2 ARG 24 HB2 ARG 24 -24.015 -24.207 -6.800 197 HB3 ARG 24 HB3 ARG 24 -23.806 -25.135 -5.321 198 HG2 ARG 24 HG2 ARG 24 -25.394 -23.721 -4.569 199 HG3 ARG 24 HG3 ARG 24 -23.970 -22.775 -4.130 200 HD2 ARG 24 HD2 ARG 24 -24.262 -21.536 -6.340 201 HD3 ARG 24 HD3 ARG 24 -25.783 -22.410 -6.561 202 HE ARG 24 HE ARG 24 -26.028 -21.300 -4.040 203 HH11 ARG 24 HH11 ARG 24 -26.667 -19.235 -3.461 204 HH12 ARG 24 HH12 ARG 24 -26.677 -17.973 -4.659 205 HH21 ARG 24 HH21 ARG 24 -25.457 -19.914 -7.201 206 HH22 ARG 24 HH22 ARG 24 -25.731 -18.289 -6.627 207 H GLY 25 H GLY 25 -20.089 -23.638 -7.256 208 HA2 GLY 25 HA2 GLY 25 -18.629 -25.000 -8.360 209 HA3 GLY 25 HA3 GLY 25 -18.813 -26.132 -7.013 210 H THR 26 H THR 26 -21.372 -25.153 -9.316 211 HA THR 26 HA THR 26 -21.373 -27.917 -10.455 212 HB THR 26 HB THR 26 -22.969 -27.684 -8.605 213 HG1 THR 26 HG1 THR 26 -24.029 -28.131 -11.176 214 HG21 THR 26 HG21 THR 26 -23.735 -25.396 -8.838 215 HG22 THR 26 HG22 THR 26 -24.466 -25.756 -10.419 216 HG23 THR 26 HG23 THR 26 -25.098 -26.513 -8.941 217 H CYS 27 H CYS 27 -20.535 -25.135 -11.566 218 HA CYS 27 HA CYS 27 -22.271 -24.778 -13.860 219 HB2 CYS 27 HB2 CYS 27 -20.758 -23.008 -12.871 220 HB3 CYS 27 HB3 CYS 27 -19.383 -23.859 -13.585 221 H SER 28 H SER 28 -21.164 -24.979 -16.110 222 HA SER 28 HA SER 28 -19.838 -27.656 -16.469 223 HB2 SER 28 HB2 SER 28 -22.308 -26.711 -17.962 224 HB3 SER 28 HB3 SER 28 -21.427 -28.219 -18.259 225 HG SER 28 HG SER 28 -23.266 -28.536 -16.928 226 H ARG 29 H ARG 29 -19.227 -24.561 -17.023 227 HA ARG 29 HA ARG 29 -17.989 -24.979 -19.739 228 HB2 ARG 29 HB2 ARG 29 -19.506 -22.620 -18.593 229 HB3 ARG 29 HB3 ARG 29 -18.530 -22.522 -20.045 230 HG2 ARG 29 HG2 ARG 29 -19.937 -24.077 -21.246 231 HG3 ARG 29 HG3 ARG 29 -20.866 -24.470 -19.791 232 HD2 ARG 29 HD2 ARG 29 -20.731 -21.735 -21.099 233 HD3 ARG 29 HD3 ARG 29 -22.062 -22.875 -21.284 234 HE ARG 29 HE ARG 29 -21.384 -21.293 -18.837 235 HH11 ARG 29 HH11 ARG 29 -24.472 -23.764 -18.584 236 HH12 ARG 29 HH12 ARG 29 -23.543 -23.793 -20.059 237 HH21 ARG 29 HH21 ARG 29 -23.821 -22.447 -16.878 238 HH22 ARG 29 HH22 ARG 29 -22.419 -21.419 -17.085 239 HA PRO 30 HA PRO 30 -14.362 -23.196 -17.685 240 HB2 PRO 30 HB2 PRO 30 -12.885 -22.427 -19.852 241 HB3 PRO 30 HB3 PRO 30 -13.103 -24.146 -19.406 242 HG2 PRO 30 HG2 PRO 30 -14.662 -22.544 -21.459 243 HG3 PRO 30 HG3 PRO 30 -13.889 -24.148 -21.670 244 HD2 PRO 30 HD2 PRO 30 -16.539 -23.926 -21.092 245 HD3 PRO 30 HD3 PRO 30 -15.549 -25.222 -20.377 246 H ASP 31 H ASP 31 -13.287 -21.002 -17.602 247 HA ASP 31 HA ASP 31 -15.122 -18.864 -17.392 248 HB2 ASP 31 HB2 ASP 31 -13.210 -17.453 -17.041 249 HB3 ASP 31 HB3 ASP 31 -12.957 -18.988 -16.209 250 H THR 32 H THR 32 -13.333 -19.928 -20.209 251 HA THR 32 HA THR 32 -13.675 -17.524 -21.770 252 HB THR 32 HB THR 32 -12.971 -19.118 -23.673 253 HG1 THR 32 HG1 THR 32 -12.058 -21.048 -22.943 254 HG21 THR 32 HG21 THR 32 -11.127 -18.823 -21.270 255 HG22 THR 32 HG22 THR 32 -10.639 -19.149 -22.950 256 HG23 THR 32 HG23 THR 32 -11.396 -17.604 -22.539 257 H GLU 33 H GLU 33 -15.898 -20.026 -21.023 258 HA GLU 33 HA GLU 33 -17.471 -19.581 -23.556 259 HB2 GLU 33 HB2 GLU 33 -17.021 -21.930 -21.724 260 HB3 GLU 33 HB3 GLU 33 -18.441 -21.914 -22.724 261 HG2 GLU 33 HG2 GLU 33 -15.586 -21.702 -23.763 262 HG3 GLU 33 HG3 GLU 33 -16.539 -23.188 -23.668 263 H CYS 34 H CYS 34 -17.762 -19.570 -20.000 264 HA CYS 34 HA CYS 34 -20.579 -19.838 -20.014 265 HB2 CYS 34 HB2 CYS 34 -18.860 -20.295 -18.170 266 HB3 CYS 34 HB3 CYS 34 -19.024 -18.586 -17.750 267 H LYS 35 H LYS 35 -22.051 -18.427 -18.968 268 HA LYS 35 HA LYS 35 -22.445 -15.945 -20.492 269 HB2 LYS 35 HB2 LYS 35 -24.091 -17.985 -19.555 270 HB3 LYS 35 HB3 LYS 35 -24.411 -16.737 -18.378 271 HG2 LYS 35 HG2 LYS 35 -24.704 -16.561 -21.414 272 HG3 LYS 35 HG3 LYS 35 -26.017 -16.747 -20.258 273 HD2 LYS 35 HD2 LYS 35 -24.233 -14.304 -20.557 274 HD3 LYS 35 HD3 LYS 35 -25.881 -14.451 -21.146 275 HE2 LYS 35 HE2 LYS 35 -26.853 -14.311 -19.043 276 HE3 LYS 35 HE3 LYS 35 -25.442 -14.984 -18.220 277 HZ1 LYS 35 HZ1 LYS 35 -24.252 -12.966 -18.572 278 HZ2 LYS 35 HZ2 LYS 35 -25.509 -12.260 -19.377 279 HZ3 LYS 35 HZ3 LYS 35 -25.643 -12.622 -17.781 280 H PHE 36 H PHE 36 -21.056 -16.685 -17.514 281 HA PHE 36 HA PHE 36 -21.011 -13.852 -16.625 282 HB2 PHE 36 HB2 PHE 36 -21.816 -16.240 -14.945 283 HB3 PHE 36 HB3 PHE 36 -21.455 -14.654 -14.283 284 HD1 PHE 36 HD1 PHE 36 -24.068 -16.768 -15.438 285 HD2 PHE 36 HD2 PHE 36 -22.863 -12.641 -15.163 286 HE1 PHE 36 HE1 PHE 36 -26.450 -16.065 -15.553 287 HE2 PHE 36 HE2 PHE 36 -25.248 -11.937 -15.231 288 HZ PHE 36 HZ PHE 36 -27.045 -13.652 -15.431 289 H ALA 37 H ALA 37 -19.338 -13.716 -14.665 290 HA ALA 37 HA ALA 37 -16.875 -14.853 -15.723 291 HB1 ALA 37 HB1 ALA 37 -15.878 -13.443 -13.963 292 HB2 ALA 37 HB2 ALA 37 -17.020 -12.541 -14.976 293 HB3 ALA 37 HB3 ALA 37 -17.508 -13.072 -13.349 294 H HIS 38 H HIS 38 -15.328 -16.051 -14.620 295 HA HIS 38 HA HIS 38 -16.169 -17.685 -12.264 296 HB2 HIS 38 HB2 HIS 38 -14.691 -18.600 -14.756 297 HB3 HIS 38 HB3 HIS 38 -14.821 -19.540 -13.275 298 HD1 HIS 38 HD1 HIS 38 -15.953 -20.717 -15.978 299 HD2 HIS 38 HD2 HIS 38 -18.149 -18.584 -13.097 300 HE1 HIS 38 HE1 HIS 38 -18.405 -21.327 -16.331 301 HA PRO 39 HA PRO 39 -12.316 -15.307 -11.307 302 HB2 PRO 39 HB2 PRO 39 -12.587 -15.361 -8.534 303 HB3 PRO 39 HB3 PRO 39 -13.298 -14.145 -9.623 304 HG2 PRO 39 HG2 PRO 39 -14.574 -16.625 -8.457 305 HG3 PRO 39 HG3 PRO 39 -15.268 -14.978 -8.565 306 HD2 PRO 39 HD2 PRO 39 -15.925 -16.915 -10.335 307 HD3 PRO 39 HD3 PRO 39 -15.715 -15.224 -10.878 308 H SER 40 H SER 40 -10.296 -15.860 -10.610 309 HA SER 40 HA SER 40 -9.680 -18.706 -10.133 310 HB2 SER 40 HB2 SER 40 -7.415 -18.066 -10.587 311 HB3 SER 40 HB3 SER 40 -8.422 -17.214 -11.780 312 HG SER 40 HG SER 40 -6.824 -15.871 -10.719 313 H LYS 41 H LYS 41 -7.506 -18.750 -8.690 314 HA LYS 41 HA LYS 41 -8.181 -18.404 -5.913 315 HB2 LYS 41 HB2 LYS 41 -5.592 -18.985 -7.413 316 HB3 LYS 41 HB3 LYS 41 -5.708 -18.981 -5.642 317 HG2 LYS 41 HG2 LYS 41 -7.444 -20.750 -5.741 318 HG3 LYS 41 HG3 LYS 41 -7.293 -20.804 -7.508 319 HD2 LYS 41 HD2 LYS 41 -4.887 -21.396 -7.276 320 HD3 LYS 41 HD3 LYS 41 -5.054 -21.416 -5.518 321 HE2 LYS 41 HE2 LYS 41 -6.614 -23.194 -7.454 322 HE3 LYS 41 HE3 LYS 41 -5.131 -23.677 -6.629 323 HZ1 LYS 41 HZ1 LYS 41 -7.063 -24.462 -5.422 324 HZ2 LYS 41 HZ2 LYS 41 -6.280 -23.368 -4.501 325 HZ3 LYS 41 HZ3 LYS 41 -7.669 -22.958 -5.263 326 H SER 42 H SER 42 -6.834 -16.132 -8.200 327 HA SER 42 HA SER 42 -5.923 -14.334 -5.988 328 HB2 SER 42 HB2 SER 42 -4.625 -13.151 -7.720 329 HB3 SER 42 HB3 SER 42 -4.152 -14.842 -7.513 330 HG SER 42 HG SER 42 -5.363 -13.582 -9.686 331 H CYS 43 H CYS 43 -8.316 -14.555 -8.576 332 HA CYS 43 HA CYS 43 -8.871 -11.806 -8.904 333 HB2 CYS 43 HB2 CYS 43 -10.692 -14.215 -9.161 334 HB3 CYS 43 HB3 CYS 43 -11.085 -12.583 -9.723 335 HG CYS 43 HG CYS 43 -8.407 -14.373 -10.585 336 H GLN 44 H GLN 44 -9.878 -10.288 -7.741 337 HA GLN 44 HA GLN 44 -10.919 -10.912 -5.072 338 HB2 GLN 44 HB2 GLN 44 -9.465 -8.953 -5.521 339 HB3 GLN 44 HB3 GLN 44 -10.679 -8.291 -6.615 340 HG2 GLN 44 HG2 GLN 44 -10.729 -7.201 -4.415 341 HG3 GLN 44 HG3 GLN 44 -12.260 -8.002 -4.759 342 HE21 GLN 44 HE21 GLN 44 -13.093 -9.147 -2.943 343 HE22 GLN 44 HE22 GLN 44 -12.045 -9.820 -1.706 344 H VAL 45 H VAL 45 -13.002 -10.974 -4.473 345 HA VAL 45 HA VAL 45 -15.180 -10.495 -6.481 346 HB VAL 45 HB VAL 45 -15.255 -12.393 -4.127 347 HG11 VAL 45 HG11 VAL 45 -17.151 -13.432 -5.322 348 HG12 VAL 45 HG12 VAL 45 -17.475 -11.740 -4.957 349 HG13 VAL 45 HG13 VAL 45 -17.011 -12.217 -6.605 350 HG21 VAL 45 HG21 VAL 45 -14.985 -14.286 -5.685 351 HG22 VAL 45 HG22 VAL 45 -14.623 -13.155 -6.998 352 HG23 VAL 45 HG23 VAL 45 -13.530 -13.298 -5.608 353 H GLU 46 H GLU 46 -16.990 -9.383 -5.780 354 HA GLU 46 HA GLU 46 -17.226 -8.425 -2.976 355 HB2 GLU 46 HB2 GLU 46 -17.090 -6.581 -5.404 356 HB3 GLU 46 HB3 GLU 46 -17.592 -6.103 -3.779 357 HG2 GLU 46 HG2 GLU 46 -15.328 -6.758 -2.922 358 HG3 GLU 46 HG3 GLU 46 -14.819 -7.078 -4.587 359 H ASN 47 H ASN 47 -19.290 -8.671 -2.372 360 HA ASN 47 HA ASN 47 -21.479 -9.238 -2.419 361 HB2 ASN 47 HB2 ASN 47 -21.229 -6.696 -2.537 362 HB3 ASN 47 HB3 ASN 47 -21.655 -6.835 -4.248 363 HD21 ASN 47 HD21 ASN 47 -23.599 -5.613 -3.999 364 HD22 ASN 47 HD22 ASN 47 -24.973 -6.266 -3.119 365 H GLY 48 H GLY 48 -20.252 -10.888 -4.396 366 HA2 GLY 48 HA2 GLY 48 -21.181 -12.537 -5.793 367 HA3 GLY 48 HA3 GLY 48 -22.649 -11.571 -5.972 368 H ARG 49 H ARG 49 -19.696 -9.904 -6.598 369 HA ARG 49 HA ARG 49 -19.749 -10.355 -9.530 370 HB2 ARG 49 HB2 ARG 49 -19.744 -7.556 -8.310 371 HB3 ARG 49 HB3 ARG 49 -19.777 -8.011 -10.012 372 HG2 ARG 49 HG2 ARG 49 -22.026 -9.109 -9.601 373 HG3 ARG 49 HG3 ARG 49 -22.014 -8.393 -7.984 374 HD2 ARG 49 HD2 ARG 49 -21.985 -6.160 -8.897 375 HD3 ARG 49 HD3 ARG 49 -21.738 -6.778 -10.545 376 HE ARG 49 HE ARG 49 -24.055 -8.014 -9.959 377 HH11 ARG 49 HH11 ARG 49 -26.522 -5.758 -10.206 378 HH12 ARG 49 HH12 ARG 49 -25.988 -7.438 -10.312 379 HH21 ARG 49 HH21 ARG 49 -24.993 -4.163 -9.766 380 HH22 ARG 49 HH22 ARG 49 -23.326 -4.603 -9.509 381 H VAL 50 H VAL 50 -17.910 -9.415 -10.593 382 HA VAL 50 HA VAL 50 -15.392 -9.213 -8.996 383 HB VAL 50 HB VAL 50 -14.336 -10.662 -10.760 384 HG11 VAL 50 HG11 VAL 50 -14.603 -11.518 -8.561 385 HG12 VAL 50 HG12 VAL 50 -16.309 -11.920 -8.843 386 HG13 VAL 50 HG13 VAL 50 -15.035 -12.803 -9.695 387 HG21 VAL 50 HG21 VAL 50 -15.697 -12.381 -11.871 388 HG22 VAL 50 HG22 VAL 50 -17.187 -11.609 -11.325 389 HG23 VAL 50 HG23 VAL 50 -16.123 -10.770 -12.470 390 H ILE 51 H ILE 51 -13.828 -7.877 -10.015 391 HA ILE 51 HA ILE 51 -14.903 -6.175 -12.209 392 HB ILE 51 HB ILE 51 -12.560 -5.801 -10.317 393 HG12 ILE 51 HG12 ILE 51 -15.332 -4.580 -10.460 394 HG13 ILE 51 HG13 ILE 51 -14.744 -5.695 -9.228 395 HG21 ILE 51 HG21 ILE 51 -12.152 -4.663 -12.514 396 HG22 ILE 51 HG22 ILE 51 -13.739 -3.875 -12.384 397 HG23 ILE 51 HG23 ILE 51 -12.431 -3.505 -11.236 398 HD11 ILE 51 HD11 ILE 51 -13.113 -3.983 -8.464 399 HD12 ILE 51 HD12 ILE 51 -13.848 -2.829 -9.608 400 HD13 ILE 51 HD13 ILE 51 -14.821 -3.508 -8.301 401 H ALA 52 H ALA 52 -14.132 -6.201 -14.253 402 HA ALA 52 HA ALA 52 -12.262 -8.234 -15.099 403 HB1 ALA 52 HB1 ALA 52 -12.726 -7.318 -17.352 404 HB2 ALA 52 HB2 ALA 52 -14.218 -7.608 -16.438 405 HB3 ALA 52 HB3 ALA 52 -13.597 -5.956 -16.616 406 H CYS 53 H CYS 53 -10.238 -7.986 -16.127 407 HA CYS 53 HA CYS 53 -8.490 -6.001 -14.993 408 HB2 CYS 53 HB2 CYS 53 -7.943 -8.449 -15.604 409 HB3 CYS 53 HB3 CYS 53 -7.826 -7.901 -17.270 410 H PHE 54 H PHE 54 -9.023 -3.953 -15.598 411 HA PHE 54 HA PHE 54 -9.776 -3.053 -18.181 412 HB2 PHE 54 HB2 PHE 54 -9.047 -0.799 -17.363 413 HB3 PHE 54 HB3 PHE 54 -10.201 -1.628 -16.341 414 HD1 PHE 54 HD1 PHE 54 -6.636 -0.604 -16.641 415 HD2 PHE 54 HD2 PHE 54 -9.686 -2.245 -14.067 416 HE1 PHE 54 HE1 PHE 54 -5.098 -0.418 -14.711 417 HE2 PHE 54 HE2 PHE 54 -8.171 -2.000 -12.120 418 HZ PHE 54 HZ PHE 54 -5.869 -1.092 -12.432 419 H ASP 55 H ASP 55 -6.543 -3.509 -16.782 420 HA ASP 55 HA ASP 55 -5.017 -2.214 -18.811 421 HB2 ASP 55 HB2 ASP 55 -4.355 -4.612 -17.058 422 HB3 ASP 55 HB3 ASP 55 -3.197 -3.776 -18.091 423 H SER 56 H SER 56 -6.464 -5.505 -18.747 424 HA SER 56 HA SER 56 -5.125 -6.366 -21.168 425 HB2 SER 56 HB2 SER 56 -5.870 -7.963 -19.538 426 HB3 SER 56 HB3 SER 56 -7.555 -7.484 -19.720 427 HG SER 56 HG SER 56 -6.869 -9.381 -20.954 428 H LEU 57 H LEU 57 -8.275 -4.797 -20.522 429 HA LEU 57 HA LEU 57 -9.205 -4.898 -23.283 430 HB2 LEU 57 HB2 LEU 57 -9.951 -3.254 -20.836 431 HB3 LEU 57 HB3 LEU 57 -10.708 -2.972 -22.405 432 HG LEU 57 HG LEU 57 -10.805 -5.558 -20.832 433 HD11 LEU 57 HD11 LEU 57 -13.138 -4.985 -20.422 434 HD12 LEU 57 HD12 LEU 57 -12.049 -3.736 -19.804 435 HD13 LEU 57 HD13 LEU 57 -12.940 -3.458 -21.320 436 HD21 LEU 57 HD21 LEU 57 -11.045 -6.066 -23.228 437 HD22 LEU 57 HD22 LEU 57 -12.622 -6.186 -22.451 438 HD23 LEU 57 HD23 LEU 57 -12.225 -4.746 -23.414 439 H LYS 58 H LYS 58 -7.479 -2.431 -21.356 440 HA LYS 58 HA LYS 58 -7.389 -0.476 -23.521 441 HB2 LYS 58 HB2 LYS 58 -5.915 -0.659 -20.858 442 HB3 LYS 58 HB3 LYS 58 -5.844 0.732 -21.924 443 HG2 LYS 58 HG2 LYS 58 -8.352 -0.324 -20.551 444 HG3 LYS 58 HG3 LYS 58 -7.407 1.069 -20.054 445 HD2 LYS 58 HD2 LYS 58 -9.051 0.801 -22.607 446 HD3 LYS 58 HD3 LYS 58 -9.463 1.740 -21.170 447 HE2 LYS 58 HE2 LYS 58 -7.438 3.159 -21.519 448 HE3 LYS 58 HE3 LYS 58 -7.058 2.247 -22.985 449 HZ1 LYS 58 HZ1 LYS 58 -9.179 3.000 -23.925 450 HZ2 LYS 58 HZ2 LYS 58 -9.528 3.847 -22.570 451 HZ3 LYS 58 HZ3 LYS 58 -8.265 4.284 -23.505 452 H GLY 59 H GLY 59 -5.571 -3.282 -23.051 453 HA2 GLY 59 HA2 GLY 59 -3.863 -4.145 -24.368 454 HA3 GLY 59 HA3 GLY 59 -3.760 -2.617 -25.248 455 H ARG 60 H ARG 60 -3.432 -3.099 -21.759 456 HA ARG 60 HA ARG 60 -0.572 -2.190 -21.800 457 HB2 ARG 60 HB2 ARG 60 -2.288 -0.523 -21.052 458 HB3 ARG 60 HB3 ARG 60 -2.742 -1.599 -19.728 459 HG2 ARG 60 HG2 ARG 60 -0.596 -1.333 -18.661 460 HG3 ARG 60 HG3 ARG 60 0.100 -0.569 -20.106 461 HD2 ARG 60 HD2 ARG 60 -0.344 1.128 -18.440 462 HD3 ARG 60 HD3 ARG 60 -1.428 1.357 -19.823 463 HE ARG 60 HE ARG 60 -2.610 -0.283 -17.699 464 HH11 ARG 60 HH11 ARG 60 -3.533 3.579 -17.602 465 HH12 ARG 60 HH12 ARG 60 -2.158 3.099 -18.563 466 HH21 ARG 60 HH21 ARG 60 -4.706 2.016 -16.463 467 HH22 ARG 60 HH22 ARG 60 -4.189 0.325 -16.597 468 H CYS 61 H CYS 61 -2.757 -4.656 -20.561 469 HA CYS 61 HA CYS 61 -1.146 -5.420 -18.346 470 HB2 CYS 61 HB2 CYS 61 -3.623 -5.970 -18.852 471 HB3 CYS 61 HB3 CYS 61 -3.018 -7.333 -19.779 472 H SER 62 H SER 62 0.308 -6.873 -18.012 473 HA SER 62 HA SER 62 1.344 -8.818 -19.958 474 HB2 SER 62 HB2 SER 62 3.670 -8.030 -19.757 475 HB3 SER 62 HB3 SER 62 2.637 -6.805 -20.505 476 HG SER 62 HG SER 62 4.013 -5.912 -18.892 477 H ARG 63 H ARG 63 0.157 -8.319 -17.103 478 HA ARG 63 HA ARG 63 1.975 -9.466 -15.152 479 HB2 ARG 63 HB2 ARG 63 0.088 -7.668 -15.002 480 HB3 ARG 63 HB3 ARG 63 -1.017 -9.035 -14.986 481 HG2 ARG 63 HG2 ARG 63 0.206 -9.865 -12.929 482 HG3 ARG 63 HG3 ARG 63 1.150 -8.369 -12.950 483 HD2 ARG 63 HD2 ARG 63 -1.869 -8.644 -12.668 484 HD3 ARG 63 HD3 ARG 63 -0.741 -8.259 -11.384 485 HE ARG 63 HE ARG 63 -0.373 -6.080 -12.335 486 HH11 ARG 63 HH11 ARG 63 -2.975 -7.733 -14.146 487 HH12 ARG 63 HH12 ARG 63 -3.502 -6.263 -14.820 488 HH21 ARG 63 HH21 ARG 63 -2.609 -4.326 -14.284 489 HH22 ARG 63 HH22 ARG 63 -1.201 -4.247 -13.257 490 H GLU 64 H GLU 64 1.332 -11.365 -13.855 491 HA GLU 64 HA GLU 64 -0.141 -13.515 -15.336 492 HB2 GLU 64 HB2 GLU 64 2.590 -13.785 -14.015 493 HB3 GLU 64 HB3 GLU 64 1.631 -15.116 -14.673 494 HG2 GLU 64 HG2 GLU 64 1.707 -14.034 -16.927 495 HG3 GLU 64 HG3 GLU 64 2.804 -12.811 -16.273 496 H ASN 65 H ASN 65 -0.431 -11.724 -12.719 497 HA ASN 65 HA ASN 65 -1.703 -13.846 -11.116 498 HB2 ASN 65 HB2 ASN 65 -0.589 -13.258 -9.090 499 HB3 ASN 65 HB3 ASN 65 0.648 -13.635 -10.282 500 HD21 ASN 65 HD21 ASN 65 1.183 -12.219 -7.898 501 HD22 ASN 65 HD22 ASN 65 1.630 -10.580 -8.350 502 H CYS 66 H CYS 66 -2.772 -11.652 -12.777 503 HA CYS 66 HA CYS 66 -3.633 -9.402 -11.449 504 HB2 CYS 66 HB2 CYS 66 -5.242 -11.117 -13.402 505 HB3 CYS 66 HB3 CYS 66 -5.562 -9.437 -13.009 506 H LYS 67 H LYS 67 -5.278 -8.763 -10.229 507 HA LYS 67 HA LYS 67 -6.867 -10.772 -8.708 508 HB2 LYS 67 HB2 LYS 67 -6.773 -7.772 -8.240 509 HB3 LYS 67 HB3 LYS 67 -7.356 -9.046 -7.151 510 HG2 LYS 67 HG2 LYS 67 -4.983 -9.963 -7.122 511 HG3 LYS 67 HG3 LYS 67 -4.481 -8.494 -7.982 512 HD2 LYS 67 HD2 LYS 67 -5.888 -8.549 -5.272 513 HD3 LYS 67 HD3 LYS 67 -4.135 -8.396 -5.514 514 HE2 LYS 67 HE2 LYS 67 -4.507 -6.298 -6.813 515 HE3 LYS 67 HE3 LYS 67 -6.247 -6.432 -6.525 516 HZ1 LYS 67 HZ1 LYS 67 -5.795 -6.250 -4.132 517 HZ2 LYS 67 HZ2 LYS 67 -4.188 -6.119 -4.403 518 HZ3 LYS 67 HZ3 LYS 67 -5.201 -4.948 -4.917 519 H TYR 68 H TYR 68 -7.178 -9.510 -11.555 520 HA TYR 68 HA TYR 68 -10.084 -8.887 -11.455 521 HB2 TYR 68 HB2 TYR 68 -7.914 -7.610 -13.162 522 HB3 TYR 68 HB3 TYR 68 -9.616 -7.178 -13.124 523 HD1 TYR 68 HD1 TYR 68 -10.598 -6.034 -11.165 524 HD2 TYR 68 HD2 TYR 68 -6.369 -6.816 -11.419 525 HE1 TYR 68 HE1 TYR 68 -10.194 -4.406 -9.322 526 HE2 TYR 68 HE2 TYR 68 -5.959 -5.183 -9.584 527 HH TYR 68 HH TYR 68 -8.622 -3.407 -7.975 528 H LEU 69 H LEU 69 -11.294 -9.496 -13.237 529 HA LEU 69 HA LEU 69 -10.491 -11.998 -14.463 530 HB2 LEU 69 HB2 LEU 69 -12.965 -10.258 -14.443 531 HB3 LEU 69 HB3 LEU 69 -12.829 -11.493 -15.673 532 HG LEU 69 HG LEU 69 -14.116 -12.139 -13.662 533 HD11 LEU 69 HD11 LEU 69 -13.155 -13.836 -15.177 534 HD12 LEU 69 HD12 LEU 69 -11.667 -13.870 -14.208 535 HD13 LEU 69 HD13 LEU 69 -13.203 -14.407 -13.500 536 HD21 LEU 69 HD21 LEU 69 -11.444 -12.380 -12.266 537 HD22 LEU 69 HD22 LEU 69 -12.592 -11.079 -11.963 538 HD23 LEU 69 HD23 LEU 69 -13.042 -12.765 -11.603 539 H HIS 70 H HIS 70 -9.300 -12.254 -16.252 540 HA HIS 70 HA HIS 70 -8.897 -10.133 -18.185 541 HB2 HIS 70 HB2 HIS 70 -8.036 -12.975 -17.928 542 HB3 HIS 70 HB3 HIS 70 -8.134 -12.324 -19.561 543 HD1 HIS 70 HD1 HIS 70 -5.675 -11.782 -20.173 544 HD2 HIS 70 HD2 HIS 70 -6.926 -10.347 -16.414 545 HE1 HIS 70 HE1 HIS 70 -3.871 -10.156 -19.363 546 HA PRO 71 HA PRO 71 -12.949 -10.434 -20.123 547 HB2 PRO 71 HB2 PRO 71 -11.387 -9.438 -22.485 548 HB3 PRO 71 HB3 PRO 71 -12.969 -8.899 -21.857 549 HG2 PRO 71 HG2 PRO 71 -10.640 -7.594 -21.393 550 HG3 PRO 71 HG3 PRO 71 -11.922 -7.685 -20.121 551 HD2 PRO 71 HD2 PRO 71 -9.325 -9.125 -20.377 552 HD3 PRO 71 HD3 PRO 71 -10.214 -8.603 -18.918 553 HA PRO 72 HA PRO 72 -12.186 -14.341 -22.364 554 HB2 PRO 72 HB2 PRO 72 -14.559 -15.600 -21.865 555 HB3 PRO 72 HB3 PRO 72 -13.244 -15.490 -20.640 556 HG2 PRO 72 HG2 PRO 72 -15.727 -13.821 -20.930 557 HG3 PRO 72 HG3 PRO 72 -15.043 -14.531 -19.435 558 HD2 PRO 72 HD2 PRO 72 -14.629 -11.899 -20.194 559 HD3 PRO 72 HD3 PRO 72 -13.459 -12.838 -19.238 560 HA PRO 73 HA PRO 73 -13.995 -13.119 -26.167 561 HB2 PRO 73 HB2 PRO 73 -14.618 -15.533 -27.445 562 HB3 PRO 73 HB3 PRO 73 -13.007 -14.763 -27.345 563 HG2 PRO 73 HG2 PRO 73 -14.144 -16.946 -25.600 564 HG3 PRO 73 HG3 PRO 73 -12.509 -16.833 -26.323 565 HD2 PRO 73 HD2 PRO 73 -12.945 -16.169 -23.742 566 HD3 PRO 73 HD3 PRO 73 -11.832 -15.191 -24.748 567 H HIS 74 H HIS 74 -16.030 -15.306 -24.248 568 HA HIS 74 HA HIS 74 -18.495 -14.530 -25.670 569 HB2 HIS 74 HB2 HIS 74 -17.890 -16.244 -23.208 570 HB3 HIS 74 HB3 HIS 74 -19.532 -15.811 -23.643 571 HD1 HIS 74 HD1 HIS 74 -20.640 -17.804 -24.765 572 HD2 HIS 74 HD2 HIS 74 -16.536 -17.416 -25.634 573 HE1 HIS 74 HE1 HIS 74 -19.997 -19.844 -26.193 574 HE2 HIS 74 HE2 HIS 74 -17.477 -19.650 -26.607 575 H LEU 75 H LEU 75 -16.697 -12.999 -23.177 576 HA LEU 75 HA LEU 75 -19.124 -11.375 -22.466 577 HB2 LEU 75 HB2 LEU 75 -16.702 -11.830 -20.731 578 HB3 LEU 75 HB3 LEU 75 -18.111 -10.879 -20.328 579 HG LEU 75 HG LEU 75 -18.154 -13.892 -20.808 580 HD11 LEU 75 HD11 LEU 75 -18.324 -14.157 -18.458 581 HD12 LEU 75 HD12 LEU 75 -16.940 -13.079 -18.721 582 HD13 LEU 75 HD13 LEU 75 -18.499 -12.413 -18.185 583 HD21 LEU 75 HD21 LEU 75 -20.302 -11.977 -19.785 584 HD22 LEU 75 HD22 LEU 75 -20.337 -12.870 -21.320 585 HD23 LEU 75 HD23 LEU 75 -20.412 -13.753 -19.797 586 H LYS 76 H LYS 76 -15.988 -11.198 -23.941 587 HA LYS 76 HA LYS 76 -15.357 -8.445 -23.584 588 HB2 LYS 76 HB2 LYS 76 -14.975 -10.445 -25.831 589 HB3 LYS 76 HB3 LYS 76 -14.569 -8.745 -26.092 590 HG2 LYS 76 HG2 LYS 76 -12.983 -8.713 -24.300 591 HG3 LYS 76 HG3 LYS 76 -13.456 -10.335 -23.752 592 HD2 LYS 76 HD2 LYS 76 -12.512 -11.404 -25.617 593 HD3 LYS 76 HD3 LYS 76 -12.441 -9.901 -26.575 594 HE2 LYS 76 HE2 LYS 76 -10.697 -9.030 -25.025 595 HE3 LYS 76 HE3 LYS 76 -10.726 -10.571 -24.158 596 HZ1 LYS 76 HZ1 LYS 76 -9.994 -10.256 -27.018 597 HZ2 LYS 76 HZ2 LYS 76 -8.944 -10.521 -25.798 598 HZ3 LYS 76 HZ3 LYS 76 -10.021 -11.675 -26.204 599 H THR 77 H THR 77 -17.828 -9.939 -25.684 600 HA THR 77 HA THR 77 -18.616 -7.559 -27.073 601 HB THR 77 HB THR 77 -20.384 -9.919 -26.325 602 HG1 THR 77 HG1 THR 77 -19.634 -10.811 -28.264 603 HG21 THR 77 HG21 THR 77 -21.461 -9.413 -28.509 604 HG22 THR 77 HG22 THR 77 -21.597 -8.053 -27.388 605 HG23 THR 77 HG23 THR 77 -20.397 -7.998 -28.699 606 H GLN 78 H GLN 78 -19.749 -9.020 -24.000 607 HA GLN 78 HA GLN 78 -21.828 -7.075 -23.502 608 HB2 GLN 78 HB2 GLN 78 -20.359 -8.922 -21.567 609 HB3 GLN 78 HB3 GLN 78 -21.879 -8.081 -21.259 610 HG2 GLN 78 HG2 GLN 78 -21.389 -10.345 -23.242 611 HG3 GLN 78 HG3 GLN 78 -22.341 -10.401 -21.766 612 HE21 GLN 78 HE21 GLN 78 -24.374 -8.961 -21.723 613 HE22 GLN 78 HE22 GLN 78 -25.185 -8.727 -23.264 614 H LEU 79 H LEU 79 -18.436 -7.395 -22.403 615 HA LEU 79 HA LEU 79 -18.409 -5.102 -20.688 616 HB2 LEU 79 HB2 LEU 79 -16.162 -6.447 -22.247 617 HB3 LEU 79 HB3 LEU 79 -15.910 -5.193 -21.051 618 HG LEU 79 HG LEU 79 -17.299 -7.824 -20.383 619 HD11 LEU 79 HD11 LEU 79 -15.159 -8.530 -19.405 620 HD12 LEU 79 HD12 LEU 79 -15.063 -8.316 -21.158 621 HD13 LEU 79 HD13 LEU 79 -14.373 -7.079 -20.074 622 HD21 LEU 79 HD21 LEU 79 -15.993 -5.664 -18.668 623 HD22 LEU 79 HD22 LEU 79 -17.734 -6.005 -18.772 624 HD23 LEU 79 HD23 LEU 79 -16.645 -7.194 -18.059 625 H GLU 80 H GLU 80 -17.534 -5.344 -24.232 626 HA GLU 80 HA GLU 80 -16.988 -2.518 -24.342 627 HB2 GLU 80 HB2 GLU 80 -16.893 -2.605 -26.648 628 HB3 GLU 80 HB3 GLU 80 -16.123 -4.067 -26.057 629 HG2 GLU 80 HG2 GLU 80 -17.856 -5.452 -26.885 630 HG3 GLU 80 HG3 GLU 80 -19.013 -4.131 -27.003 631 H ILE 81 H ILE 81 -20.059 -4.308 -24.787 632 HA ILE 81 HA ILE 81 -21.577 -2.039 -25.702 633 HB ILE 81 HB ILE 81 -22.332 -4.651 -24.361 634 HG12 ILE 81 HG12 ILE 81 -22.931 -3.531 -27.143 635 HG13 ILE 81 HG13 ILE 81 -21.518 -4.507 -26.784 636 HG21 ILE 81 HG21 ILE 81 -24.254 -2.460 -25.282 637 HG22 ILE 81 HG22 ILE 81 -24.724 -4.112 -24.827 638 HG23 ILE 81 HG23 ILE 81 -24.048 -3.046 -23.614 639 HD11 ILE 81 HD11 ILE 81 -23.034 -6.375 -26.030 640 HD12 ILE 81 HD12 ILE 81 -24.415 -5.419 -26.622 641 HD13 ILE 81 HD13 ILE 81 -23.162 -5.951 -27.749 642 H ASN 82 H ASN 82 -20.982 -3.302 -22.373 643 HA ASN 82 HA ASN 82 -22.521 -1.242 -21.096 644 HB2 ASN 82 HB2 ASN 82 -21.595 -3.509 -20.151 645 HB3 ASN 82 HB3 ASN 82 -20.143 -2.611 -19.784 646 HD21 ASN 82 HD21 ASN 82 -21.849 -3.897 -17.876 647 HD22 ASN 82 HD22 ASN 82 -22.573 -2.635 -16.890 648 H GLY 83 H GLY 83 -19.051 -1.388 -22.020 649 HA2 GLY 83 HA2 GLY 83 -18.227 1.096 -20.865 650 HA3 GLY 83 HA3 GLY 83 -17.467 0.272 -22.237 651 H ARG 84 H ARG 84 -19.378 0.327 -24.185 652 HA ARG 84 HA ARG 84 -19.339 2.980 -25.274 653 HB2 ARG 84 HB2 ARG 84 -20.926 0.472 -25.951 654 HB3 ARG 84 HB3 ARG 84 -21.061 1.964 -26.888 655 HG2 ARG 84 HG2 ARG 84 -18.781 1.893 -27.590 656 HG3 ARG 84 HG3 ARG 84 -18.344 0.697 -26.379 657 HD2 ARG 84 HD2 ARG 84 -18.404 -0.386 -28.509 658 HD3 ARG 84 HD3 ARG 84 -19.733 -1.010 -27.523 659 HE ARG 84 HE ARG 84 -20.795 1.114 -29.037 660 HH11 ARG 84 HH11 ARG 84 -21.713 -0.593 -31.871 661 HH12 ARG 84 HH12 ARG 84 -21.947 0.834 -30.907 662 HH21 ARG 84 HH21 ARG 84 -20.302 -2.151 -31.279 663 HH22 ARG 84 HH22 ARG 84 -19.341 -2.023 -29.831 664 H ASN 85 H ASN 85 -21.936 1.223 -23.568 665 HA ASN 85 HA ASN 85 -23.923 3.261 -23.707 666 HB2 ASN 85 HB2 ASN 85 -24.259 0.830 -23.169 667 HB3 ASN 85 HB3 ASN 85 -23.521 1.107 -21.591 668 HD21 ASN 85 HD21 ASN 85 -25.167 1.056 -20.086 669 HD22 ASN 85 HD22 ASN 85 -26.715 1.856 -20.303 670 H ASN 86 H ASN 86 -20.976 3.504 -22.116 671 HA ASN 86 HA ASN 86 -21.951 5.695 -20.337 672 HB2 ASN 86 HB2 ASN 86 -19.873 3.534 -19.810 673 HB3 ASN 86 HB3 ASN 86 -19.992 5.014 -18.861 674 HD21 ASN 86 HD21 ASN 86 -21.471 1.879 -19.436 675 HD22 ASN 86 HD22 ASN 86 -22.663 2.044 -18.162 676 H LEU 87 H LEU 87 -20.612 5.292 -23.180 677 HA LEU 87 HA LEU 87 -18.643 7.529 -22.938 678 HB2 LEU 87 HB2 LEU 87 -17.621 5.314 -23.410 679 HB3 LEU 87 HB3 LEU 87 -18.650 5.149 -24.830 680 HG LEU 87 HG LEU 87 -17.513 7.062 -25.909 681 HD11 LEU 87 HD11 LEU 87 -15.753 7.066 -23.414 682 HD12 LEU 87 HD12 LEU 87 -15.405 7.947 -24.919 683 HD13 LEU 87 HD13 LEU 87 -16.817 8.386 -23.955 684 HD21 LEU 87 HD21 LEU 87 -15.600 4.954 -24.832 685 HD22 LEU 87 HD22 LEU 87 -16.678 4.769 -26.234 686 HD23 LEU 87 HD23 LEU 87 -15.361 5.951 -26.286 687 H ILE 88 H ILE 88 -21.456 6.282 -24.505 688 HA ILE 88 HA ILE 88 -21.895 7.510 -26.863 689 HB ILE 88 HB ILE 88 -24.349 7.805 -25.939 690 HG12 ILE 88 HG12 ILE 88 -23.146 6.057 -23.738 691 HG13 ILE 88 HG13 ILE 88 -23.694 7.717 -23.526 692 HG21 ILE 88 HG21 ILE 88 -23.020 5.082 -26.180 693 HG22 ILE 88 HG22 ILE 88 -24.745 5.442 -26.390 694 HG23 ILE 88 HG23 ILE 88 -23.568 6.101 -27.520 695 HD11 ILE 88 HD11 ILE 88 -25.398 5.293 -24.195 696 HD12 ILE 88 HD12 ILE 88 -25.338 6.196 -22.681 697 HD13 ILE 88 HD13 ILE 88 -26.008 6.972 -24.137 698 H GLN 89 H GLN 89 -21.174 9.435 -27.449 699 HA GLN 89 HA GLN 89 -21.250 11.848 -25.923 700 HB2 GLN 89 HB2 GLN 89 -21.013 11.393 -28.926 701 HB3 GLN 89 HB3 GLN 89 -20.734 12.938 -28.107 702 HG2 GLN 89 HG2 GLN 89 -18.919 11.900 -26.757 703 HG3 GLN 89 HG3 GLN 89 -19.141 10.378 -27.622 704 HE21 GLN 89 HE21 GLN 89 -16.638 11.255 -27.747 705 HE22 GLN 89 HE22 GLN 89 -16.303 12.014 -29.298 706 H GLN 90 H GLN 90 -23.798 10.272 -27.596 707 HA GLN 90 HA GLN 90 -25.473 12.386 -28.444 708 HB2 GLN 90 HB2 GLN 90 -26.155 9.617 -27.344 709 HB3 GLN 90 HB3 GLN 90 -27.305 10.707 -28.103 710 HG2 GLN 90 HG2 GLN 90 -26.708 9.178 -29.787 711 HG3 GLN 90 HG3 GLN 90 -25.920 10.694 -30.196 712 HE21 GLN 90 HE21 GLN 90 -24.541 9.298 -31.622 713 HE22 GLN 90 HE22 GLN 90 -23.195 8.444 -30.879 714 H LYS 91 H LYS 91 -24.802 11.254 -25.181 715 HA LYS 91 HA LYS 91 -27.076 12.502 -23.857 716 HB2 LYS 91 HB2 LYS 91 -24.359 11.578 -22.812 717 HB3 LYS 91 HB3 LYS 91 -25.704 12.128 -21.805 718 HG2 LYS 91 HG2 LYS 91 -27.130 10.283 -22.714 719 HG3 LYS 91 HG3 LYS 91 -25.756 9.710 -23.667 720 HD2 LYS 91 HD2 LYS 91 -25.942 8.354 -21.694 721 HD3 LYS 91 HD3 LYS 91 -24.466 9.324 -21.572 722 HE2 LYS 91 HE2 LYS 91 -25.639 10.911 -20.060 723 HE3 LYS 91 HE3 LYS 91 -27.136 9.988 -20.239 724 HZ1 LYS 91 HZ1 LYS 91 -25.965 9.388 -18.202 725 HZ2 LYS 91 HZ2 LYS 91 -26.011 8.094 -19.192 726 HZ3 LYS 91 HZ3 LYS 91 -24.627 8.951 -19.025 727 H ASN 92 H ASN 92 -24.126 13.786 -25.109 728 HA ASN 92 HA ASN 92 -24.792 16.493 -24.189 729 HB2 ASN 92 HB2 ASN 92 -22.558 16.895 -23.207 730 HB3 ASN 92 HB3 ASN 92 -23.458 15.682 -22.314 731 HD21 ASN 92 HD21 ASN 92 -21.543 14.810 -21.375 732 HD22 ASN 92 HD22 ASN 92 -20.413 13.875 -22.345 Start of MODEL 3 1 H MET 1 H MET 1 -20.084 28.055 -17.716 2 HA MET 1 HA MET 1 -18.675 29.388 -16.402 3 HB2 MET 1 HB2 MET 1 -20.025 30.602 -14.781 4 HB3 MET 1 HB3 MET 1 -20.956 30.255 -16.235 5 HG2 MET 1 HG2 MET 1 -22.086 28.375 -15.078 6 HG3 MET 1 HG3 MET 1 -21.105 28.662 -13.642 7 HE1 MET 1 HE1 MET 1 -24.555 31.391 -15.121 8 HE2 MET 1 HE2 MET 1 -23.039 31.275 -16.036 9 HE3 MET 1 HE3 MET 1 -24.084 29.844 -15.860 10 H ALA 2 H ALA 2 -19.125 26.353 -15.226 11 HA ALA 2 HA ALA 2 -17.088 26.665 -13.109 12 HB1 ALA 2 HB1 ALA 2 -18.465 25.434 -11.459 13 HB2 ALA 2 HB2 ALA 2 -19.255 26.947 -11.931 14 HB3 ALA 2 HB3 ALA 2 -19.825 25.403 -12.602 15 H VAL 3 H VAL 3 -16.348 24.535 -12.294 16 HA VAL 3 HA VAL 3 -16.655 22.208 -14.111 17 HB VAL 3 HB VAL 3 -14.208 21.869 -14.187 18 HG11 VAL 3 HG11 VAL 3 -13.698 23.433 -15.947 19 HG12 VAL 3 HG12 VAL 3 -15.390 22.927 -16.089 20 HG13 VAL 3 HG13 VAL 3 -14.993 24.528 -15.426 21 HG21 VAL 3 HG21 VAL 3 -13.951 24.720 -13.137 22 HG22 VAL 3 HG22 VAL 3 -13.509 23.247 -12.244 23 HG23 VAL 3 HG23 VAL 3 -12.640 23.679 -13.722 24 H SER 4 H SER 4 -15.569 20.250 -13.218 25 HA SER 4 HA SER 4 -15.384 20.156 -10.240 26 HB2 SER 4 HB2 SER 4 -17.105 18.323 -11.963 27 HB3 SER 4 HB3 SER 4 -16.789 18.117 -10.231 28 HG SER 4 HG SER 4 -18.789 19.174 -10.636 29 H VAL 5 H VAL 5 -14.423 18.185 -9.435 30 HA VAL 5 HA VAL 5 -12.030 17.406 -10.807 31 HB VAL 5 HB VAL 5 -13.379 16.083 -8.414 32 HG11 VAL 5 HG11 VAL 5 -10.475 16.033 -9.362 33 HG12 VAL 5 HG12 VAL 5 -11.055 15.405 -7.804 34 HG13 VAL 5 HG13 VAL 5 -11.592 14.649 -9.296 35 HG21 VAL 5 HG21 VAL 5 -11.830 17.479 -7.052 36 HG22 VAL 5 HG22 VAL 5 -11.305 18.322 -8.526 37 HG23 VAL 5 HG23 VAL 5 -12.978 18.473 -7.943 38 H THR 6 H THR 6 -11.426 15.467 -11.791 39 HA THR 6 HA THR 6 -13.335 14.121 -13.414 40 HB THR 6 HB THR 6 -11.327 12.541 -13.822 41 HG1 THR 6 HG1 THR 6 -9.364 13.318 -13.071 42 HG21 THR 6 HG21 THR 6 -11.869 14.458 -15.290 43 HG22 THR 6 HG22 THR 6 -10.928 15.537 -14.237 44 HG23 THR 6 HG23 THR 6 -10.121 14.229 -15.131 45 HA PRO 7 HA PRO 7 -14.772 10.793 -10.908 46 HB2 PRO 7 HB2 PRO 7 -15.176 8.738 -12.681 47 HB3 PRO 7 HB3 PRO 7 -16.170 10.226 -12.649 48 HG2 PRO 7 HG2 PRO 7 -13.793 9.615 -14.434 49 HG3 PRO 7 HG3 PRO 7 -15.406 10.239 -14.914 50 HD2 PRO 7 HD2 PRO 7 -13.292 11.896 -14.553 51 HD3 PRO 7 HD3 PRO 7 -14.934 12.384 -14.045 52 H ILE 8 H ILE 8 -14.313 8.740 -10.008 53 HA ILE 8 HA ILE 8 -11.618 7.549 -10.462 54 HB ILE 8 HB ILE 8 -11.239 7.471 -8.018 55 HG12 ILE 8 HG12 ILE 8 -13.583 9.416 -7.765 56 HG13 ILE 8 HG13 ILE 8 -13.650 7.714 -7.318 57 HG21 ILE 8 HG21 ILE 8 -10.415 9.715 -7.797 58 HG22 ILE 8 HG22 ILE 8 -10.259 9.240 -9.488 59 HG23 ILE 8 HG23 ILE 8 -11.572 10.330 -8.994 60 HD11 ILE 8 HD11 ILE 8 -11.904 9.842 -6.028 61 HD12 ILE 8 HD12 ILE 8 -13.295 9.006 -5.326 62 HD13 ILE 8 HD13 ILE 8 -11.805 8.102 -5.662 63 H ARG 9 H ARG 9 -14.421 6.713 -11.071 64 HA ARG 9 HA ARG 9 -14.343 3.969 -9.893 65 HB2 ARG 9 HB2 ARG 9 -16.804 5.770 -10.034 66 HB3 ARG 9 HB3 ARG 9 -16.838 4.062 -9.608 67 HG2 ARG 9 HG2 ARG 9 -15.426 6.219 -7.991 68 HG3 ARG 9 HG3 ARG 9 -17.005 5.524 -7.642 69 HD2 ARG 9 HD2 ARG 9 -16.021 3.298 -7.345 70 HD3 ARG 9 HD3 ARG 9 -14.418 3.904 -7.735 71 HE ARG 9 HE ARG 9 -15.982 4.408 -5.263 72 HH11 ARG 9 HH11 ARG 9 -12.145 5.486 -5.466 73 HH12 ARG 9 HH12 ARG 9 -12.966 5.098 -6.957 74 HH21 ARG 9 HH21 ARG 9 -13.213 5.498 -3.554 75 HH22 ARG 9 HH22 ARG 9 -14.878 5.011 -3.447 76 H ASP 10 H ASP 10 -13.417 4.878 -12.404 77 HA ASP 10 HA ASP 10 -15.087 4.536 -14.611 78 HB2 ASP 10 HB2 ASP 10 -12.179 3.696 -14.304 79 HB3 ASP 10 HB3 ASP 10 -13.022 3.933 -15.833 80 H THR 11 H THR 11 -13.866 1.973 -12.510 81 HA THR 11 HA THR 11 -14.277 -0.251 -14.259 82 HB THR 11 HB THR 11 -14.260 -1.571 -12.089 83 HG1 THR 11 HG1 THR 11 -13.718 -0.355 -10.240 84 HG21 THR 11 HG21 THR 11 -11.997 0.442 -12.477 85 HG22 THR 11 HG22 THR 11 -11.904 -1.081 -11.569 86 HG23 THR 11 HG23 THR 11 -12.174 -1.113 -13.318 87 H LYS 12 H LYS 12 -16.639 1.755 -13.059 88 HA LYS 12 HA LYS 12 -18.824 0.305 -12.181 89 HB2 LYS 12 HB2 LYS 12 -18.784 2.712 -12.427 90 HB3 LYS 12 HB3 LYS 12 -18.563 2.587 -14.173 91 HG2 LYS 12 HG2 LYS 12 -20.873 1.624 -14.368 92 HG3 LYS 12 HG3 LYS 12 -21.092 1.877 -12.621 93 HD2 LYS 12 HD2 LYS 12 -20.781 4.299 -12.912 94 HD3 LYS 12 HD3 LYS 12 -20.326 4.063 -14.609 95 HE2 LYS 12 HE2 LYS 12 -22.630 3.041 -14.984 96 HE3 LYS 12 HE3 LYS 12 -23.064 3.595 -13.360 97 HZ1 LYS 12 HZ1 LYS 12 -23.683 5.218 -15.079 98 HZ2 LYS 12 HZ2 LYS 12 -22.550 5.874 -14.101 99 HZ3 LYS 12 HZ3 LYS 12 -22.131 5.331 -15.592 100 H TRP 13 H TRP 13 -17.840 0.588 -15.621 101 HA TRP 13 HA TRP 13 -20.038 -1.110 -16.524 102 HB2 TRP 13 HB2 TRP 13 -19.566 -0.357 -18.563 103 HB3 TRP 13 HB3 TRP 13 -18.722 0.893 -17.709 104 HD1 TRP 13 HD1 TRP 13 -18.078 -2.369 -19.628 105 HE1 TRP 13 HE1 TRP 13 -15.840 -2.237 -20.847 106 HE3 TRP 13 HE3 TRP 13 -16.358 2.038 -17.671 107 HZ2 TRP 13 HZ2 TRP 13 -13.541 -0.506 -20.901 108 HZ3 TRP 13 HZ3 TRP 13 -14.111 2.873 -18.295 109 HH2 TRP 13 HH2 TRP 13 -12.695 1.628 -19.908 110 H LEU 14 H LEU 14 -16.864 -1.728 -15.419 111 HA LEU 14 HA LEU 14 -16.472 -4.305 -16.787 112 HB2 LEU 14 HB2 LEU 14 -14.816 -2.652 -14.833 113 HB3 LEU 14 HB3 LEU 14 -14.264 -4.154 -15.526 114 HG LEU 14 HG LEU 14 -14.990 -1.670 -17.149 115 HD11 LEU 14 HD11 LEU 14 -12.992 -1.322 -15.744 116 HD12 LEU 14 HD12 LEU 14 -12.273 -2.804 -16.398 117 HD13 LEU 14 HD13 LEU 14 -12.586 -1.404 -17.460 118 HD21 LEU 14 HD21 LEU 14 -13.804 -2.804 -18.990 119 HD22 LEU 14 HD22 LEU 14 -13.563 -4.237 -17.978 120 HD23 LEU 14 HD23 LEU 14 -15.201 -3.754 -18.482 121 H THR 15 H THR 15 -17.970 -3.379 -13.864 122 HA THR 15 HA THR 15 -17.095 -5.686 -12.299 123 HB THR 15 HB THR 15 -19.427 -3.906 -11.635 124 HG1 THR 15 HG1 THR 15 -17.441 -2.698 -12.021 125 HG21 THR 15 HG21 THR 15 -18.698 -4.408 -9.305 126 HG22 THR 15 HG22 THR 15 -19.223 -5.841 -10.192 127 HG23 THR 15 HG23 THR 15 -17.487 -5.538 -9.945 128 H LEU 16 H LEU 16 -17.506 -7.286 -13.773 129 HA LEU 16 HA LEU 16 -20.074 -8.060 -14.840 130 HB2 LEU 16 HB2 LEU 16 -17.652 -8.339 -15.715 131 HB3 LEU 16 HB3 LEU 16 -17.456 -9.607 -14.541 132 HG LEU 16 HG LEU 16 -18.981 -11.044 -15.714 133 HD11 LEU 16 HD11 LEU 16 -20.099 -10.330 -17.836 134 HD12 LEU 16 HD12 LEU 16 -20.768 -9.534 -16.412 135 HD13 LEU 16 HD13 LEU 16 -19.651 -8.647 -17.479 136 HD21 LEU 16 HD21 LEU 16 -16.647 -10.693 -16.618 137 HD22 LEU 16 HD22 LEU 16 -17.792 -11.166 -17.877 138 HD23 LEU 16 HD23 LEU 16 -17.293 -9.482 -17.737 139 H GLU 17 H GLU 17 -21.464 -9.779 -14.128 140 HA GLU 17 HA GLU 17 -21.307 -10.568 -11.328 141 HB2 GLU 17 HB2 GLU 17 -23.020 -11.579 -13.621 142 HB3 GLU 17 HB3 GLU 17 -23.148 -12.140 -11.943 143 HG2 GLU 17 HG2 GLU 17 -23.683 -9.839 -11.214 144 HG3 GLU 17 HG3 GLU 17 -23.597 -9.293 -12.896 145 H VAL 18 H VAL 18 -20.956 -12.615 -10.423 146 HA VAL 18 HA VAL 18 -19.170 -14.429 -11.954 147 HB VAL 18 HB VAL 18 -18.879 -15.675 -9.915 148 HG11 VAL 18 HG11 VAL 18 -18.635 -12.700 -9.304 149 HG12 VAL 18 HG12 VAL 18 -17.723 -14.027 -8.560 150 HG13 VAL 18 HG13 VAL 18 -17.491 -13.668 -10.277 151 HG21 VAL 18 HG21 VAL 18 -19.812 -14.988 -7.754 152 HG22 VAL 18 HG22 VAL 18 -20.800 -13.753 -8.553 153 HG23 VAL 18 HG23 VAL 18 -21.104 -15.461 -8.870 154 H CYS 19 H CYS 19 -19.688 -16.698 -12.293 155 HA CYS 19 HA CYS 19 -22.446 -17.141 -12.987 156 HB2 CYS 19 HB2 CYS 19 -20.563 -18.147 -14.195 157 HB3 CYS 19 HB3 CYS 19 -20.131 -19.075 -12.765 158 H ARG 20 H ARG 20 -24.066 -17.837 -11.874 159 HA ARG 20 HA ARG 20 -24.000 -18.209 -9.028 160 HB2 ARG 20 HB2 ARG 20 -26.212 -18.880 -11.014 161 HB3 ARG 20 HB3 ARG 20 -26.368 -18.833 -9.267 162 HG2 ARG 20 HG2 ARG 20 -27.221 -16.763 -9.876 163 HG3 ARG 20 HG3 ARG 20 -25.570 -16.369 -9.384 164 HD2 ARG 20 HD2 ARG 20 -24.876 -16.165 -11.723 165 HD3 ARG 20 HD3 ARG 20 -26.411 -16.811 -12.293 166 HE ARG 20 HE ARG 20 -25.792 -14.081 -11.415 167 HH11 ARG 20 HH11 ARG 20 -29.583 -14.932 -12.291 168 HH12 ARG 20 HH12 ARG 20 -28.487 -16.255 -12.011 169 HH21 ARG 20 HH21 ARG 20 -28.874 -12.841 -12.168 170 HH22 ARG 20 HH22 ARG 20 -27.189 -12.489 -11.824 171 H GLU 21 H GLU 21 -23.695 -20.528 -11.634 172 HA GLU 21 HA GLU 21 -24.245 -22.813 -9.872 173 HB2 GLU 21 HB2 GLU 21 -23.032 -22.690 -12.650 174 HB3 GLU 21 HB3 GLU 21 -23.584 -24.146 -11.827 175 HG2 GLU 21 HG2 GLU 21 -25.370 -21.830 -12.716 176 HG3 GLU 21 HG3 GLU 21 -25.179 -23.362 -13.551 177 H PHE 22 H PHE 22 -21.448 -21.097 -11.286 178 HA PHE 22 HA PHE 22 -19.355 -22.780 -10.282 179 HB2 PHE 22 HB2 PHE 22 -19.234 -21.077 -12.096 180 HB3 PHE 22 HB3 PHE 22 -19.375 -19.814 -10.904 181 HD1 PHE 22 HD1 PHE 22 -17.477 -19.133 -9.540 182 HD2 PHE 22 HD2 PHE 22 -17.177 -22.412 -12.324 183 HE1 PHE 22 HE1 PHE 22 -15.001 -19.037 -9.390 184 HE2 PHE 22 HE2 PHE 22 -14.697 -22.320 -12.163 185 HZ PHE 22 HZ PHE 22 -13.607 -20.628 -10.697 186 H GLN 23 H GLN 23 -21.216 -20.108 -8.856 187 HA GLN 23 HA GLN 23 -19.676 -19.692 -6.470 188 HB2 GLN 23 HB2 GLN 23 -22.678 -19.502 -6.977 189 HB3 GLN 23 HB3 GLN 23 -21.954 -19.078 -5.439 190 HG2 GLN 23 HG2 GLN 23 -20.638 -17.289 -6.543 191 HG3 GLN 23 HG3 GLN 23 -21.510 -17.610 -8.045 192 HE21 GLN 23 HE21 GLN 23 -21.522 -15.325 -5.802 193 HE22 GLN 23 HE22 GLN 23 -23.253 -15.055 -5.647 194 H ARG 24 H ARG 24 -21.731 -22.299 -7.418 195 HA ARG 24 HA ARG 24 -21.771 -23.488 -4.681 196 HB2 ARG 24 HB2 ARG 24 -23.712 -23.655 -7.016 197 HB3 ARG 24 HB3 ARG 24 -23.864 -24.639 -5.551 198 HG2 ARG 24 HG2 ARG 24 -24.211 -22.723 -4.163 199 HG3 ARG 24 HG3 ARG 24 -23.719 -21.600 -5.433 200 HD2 ARG 24 HD2 ARG 24 -25.685 -22.254 -6.795 201 HD3 ARG 24 HD3 ARG 24 -26.208 -23.316 -5.481 202 HE ARG 24 HE ARG 24 -26.964 -21.479 -4.286 203 HH11 ARG 24 HH11 ARG 24 -25.020 -20.182 -6.920 204 HH12 ARG 24 HH12 ARG 24 -25.162 -18.546 -6.329 205 HH21 ARG 24 HH21 ARG 24 -26.541 -18.090 -4.689 206 HH22 ARG 24 HH22 ARG 24 -27.271 -19.345 -3.729 207 H GLY 25 H GLY 25 -19.821 -23.702 -7.133 208 HA2 GLY 25 HA2 GLY 25 -18.426 -25.270 -8.044 209 HA3 GLY 25 HA3 GLY 25 -18.798 -26.281 -6.641 210 H THR 26 H THR 26 -21.149 -25.235 -9.115 211 HA THR 26 HA THR 26 -21.334 -28.033 -10.137 212 HB THR 26 HB THR 26 -22.916 -27.641 -8.299 213 HG1 THR 26 HG1 THR 26 -23.999 -28.107 -10.856 214 HG21 THR 26 HG21 THR 26 -24.965 -26.352 -8.658 215 HG22 THR 26 HG22 THR 26 -23.544 -25.311 -8.612 216 HG23 THR 26 HG23 THR 26 -24.310 -25.693 -10.171 217 H CYS 27 H CYS 27 -20.379 -25.279 -11.330 218 HA CYS 27 HA CYS 27 -22.110 -24.941 -13.627 219 HB2 CYS 27 HB2 CYS 27 -20.524 -23.199 -12.688 220 HB3 CYS 27 HB3 CYS 27 -19.191 -24.104 -13.413 221 H SER 28 H SER 28 -21.020 -25.225 -15.887 222 HA SER 28 HA SER 28 -19.674 -27.879 -16.189 223 HB2 SER 28 HB2 SER 28 -21.377 -28.668 -17.756 224 HB3 SER 28 HB3 SER 28 -22.070 -28.340 -16.165 225 HG SER 28 HG SER 28 -23.366 -27.506 -17.867 226 H ARG 29 H ARG 29 -19.296 -24.801 -16.984 227 HA ARG 29 HA ARG 29 -18.218 -25.341 -19.742 228 HB2 ARG 29 HB2 ARG 29 -19.657 -22.925 -18.605 229 HB3 ARG 29 HB3 ARG 29 -18.831 -22.924 -20.151 230 HG2 ARG 29 HG2 ARG 29 -20.363 -24.492 -21.126 231 HG3 ARG 29 HG3 ARG 29 -21.105 -24.870 -19.566 232 HD2 ARG 29 HD2 ARG 29 -21.193 -22.156 -20.933 233 HD3 ARG 29 HD3 ARG 29 -22.505 -23.332 -20.939 234 HE ARG 29 HE ARG 29 -21.629 -21.642 -18.647 235 HH11 ARG 29 HH11 ARG 29 -22.427 -21.756 -16.772 236 HH12 ARG 29 HH12 ARG 29 -23.678 -22.889 -16.336 237 HH21 ARG 29 HH21 ARG 29 -24.371 -24.389 -17.853 238 HH22 ARG 29 HH22 ARG 29 -23.634 -24.428 -19.429 239 HA PRO 30 HA PRO 30 -14.504 -23.372 -18.034 240 HB2 PRO 30 HB2 PRO 30 -13.211 -22.644 -20.329 241 HB3 PRO 30 HB3 PRO 30 -13.336 -24.350 -19.803 242 HG2 PRO 30 HG2 PRO 30 -15.080 -22.887 -21.808 243 HG3 PRO 30 HG3 PRO 30 -14.277 -24.479 -21.997 244 HD2 PRO 30 HD2 PRO 30 -16.893 -24.284 -21.249 245 HD3 PRO 30 HD3 PRO 30 -15.826 -25.537 -20.565 246 H ASP 31 H ASP 31 -13.515 -21.129 -18.107 247 HA ASP 31 HA ASP 31 -15.424 -19.064 -17.852 248 HB2 ASP 31 HB2 ASP 31 -13.569 -17.555 -17.707 249 HB3 ASP 31 HB3 ASP 31 -13.158 -19.043 -16.852 250 H THR 32 H THR 32 -13.703 -20.117 -20.725 251 HA THR 32 HA THR 32 -14.335 -17.849 -22.386 252 HB THR 32 HB THR 32 -13.629 -19.402 -24.261 253 HG1 THR 32 HG1 THR 32 -12.646 -21.324 -23.590 254 HG21 THR 32 HG21 THR 32 -12.046 -17.865 -23.156 255 HG22 THR 32 HG22 THR 32 -11.683 -19.111 -21.940 256 HG23 THR 32 HG23 THR 32 -11.273 -19.378 -23.650 257 H GLU 33 H GLU 33 -16.406 -20.343 -21.331 258 HA GLU 33 HA GLU 33 -18.199 -20.016 -23.734 259 HB2 GLU 33 HB2 GLU 33 -17.380 -22.390 -22.092 260 HB3 GLU 33 HB3 GLU 33 -19.011 -22.376 -22.728 261 HG2 GLU 33 HG2 GLU 33 -18.157 -22.004 -25.005 262 HG3 GLU 33 HG3 GLU 33 -16.494 -22.027 -24.397 263 H CYS 34 H CYS 34 -18.141 -19.904 -20.185 264 HA CYS 34 HA CYS 34 -20.958 -20.212 -19.926 265 HB2 CYS 34 HB2 CYS 34 -19.059 -20.591 -18.235 266 HB3 CYS 34 HB3 CYS 34 -19.218 -18.867 -17.863 267 H LYS 35 H LYS 35 -22.340 -18.736 -18.814 268 HA LYS 35 HA LYS 35 -22.824 -16.301 -20.407 269 HB2 LYS 35 HB2 LYS 35 -24.415 -17.687 -18.207 270 HB3 LYS 35 HB3 LYS 35 -24.957 -16.249 -19.085 271 HG2 LYS 35 HG2 LYS 35 -24.755 -17.490 -21.239 272 HG3 LYS 35 HG3 LYS 35 -24.326 -18.958 -20.339 273 HD2 LYS 35 HD2 LYS 35 -26.508 -18.913 -19.185 274 HD3 LYS 35 HD3 LYS 35 -26.938 -17.410 -20.038 275 HE2 LYS 35 HE2 LYS 35 -26.662 -18.573 -22.214 276 HE3 LYS 35 HE3 LYS 35 -26.260 -20.070 -21.367 277 HZ1 LYS 35 HZ1 LYS 35 -28.494 -20.032 -20.377 278 HZ2 LYS 35 HZ2 LYS 35 -28.867 -18.650 -21.166 279 HZ3 LYS 35 HZ3 LYS 35 -28.606 -20.025 -22.004 280 H PHE 36 H PHE 36 -21.206 -16.906 -17.507 281 HA PHE 36 HA PHE 36 -21.164 -14.033 -16.743 282 HB2 PHE 36 HB2 PHE 36 -21.593 -16.315 -14.820 283 HB3 PHE 36 HB3 PHE 36 -21.494 -14.617 -14.388 284 HD1 PHE 36 HD1 PHE 36 -23.324 -13.029 -15.366 285 HD2 PHE 36 HD2 PHE 36 -23.703 -17.316 -15.150 286 HE1 PHE 36 HE1 PHE 36 -25.801 -12.812 -15.431 287 HE2 PHE 36 HE2 PHE 36 -26.177 -17.102 -15.239 288 HZ PHE 36 HZ PHE 36 -27.229 -14.850 -15.371 289 H ALA 37 H ALA 37 -19.388 -13.828 -14.846 290 HA ALA 37 HA ALA 37 -16.936 -14.839 -16.057 291 HB1 ALA 37 HB1 ALA 37 -15.893 -13.331 -14.397 292 HB2 ALA 37 HB2 ALA 37 -17.173 -12.507 -15.299 293 HB3 ALA 37 HB3 ALA 37 -17.488 -13.066 -13.650 294 H HIS 38 H HIS 38 -15.315 -16.047 -15.054 295 HA HIS 38 HA HIS 38 -16.025 -17.687 -12.652 296 HB2 HIS 38 HB2 HIS 38 -14.670 -18.574 -15.216 297 HB3 HIS 38 HB3 HIS 38 -14.653 -19.498 -13.718 298 HD1 HIS 38 HD1 HIS 38 -15.931 -20.827 -16.232 299 HD2 HIS 38 HD2 HIS 38 -18.004 -18.584 -13.342 300 HE1 HIS 38 HE1 HIS 38 -18.380 -21.529 -16.380 301 HA PRO 39 HA PRO 39 -12.162 -15.334 -11.680 302 HB2 PRO 39 HB2 PRO 39 -12.392 -15.533 -8.909 303 HB3 PRO 39 HB3 PRO 39 -13.124 -14.258 -9.913 304 HG2 PRO 39 HG2 PRO 39 -14.382 -16.780 -8.846 305 HG3 PRO 39 HG3 PRO 39 -15.072 -15.128 -8.887 306 HD2 PRO 39 HD2 PRO 39 -15.747 -17.011 -10.715 307 HD3 PRO 39 HD3 PRO 39 -15.573 -15.298 -11.189 308 H SER 40 H SER 40 -10.176 -15.852 -10.570 309 HA SER 40 HA SER 40 -9.704 -18.718 -9.910 310 HB2 SER 40 HB2 SER 40 -7.693 -18.749 -11.215 311 HB3 SER 40 HB3 SER 40 -9.047 -18.280 -12.260 312 HG SER 40 HG SER 40 -7.245 -16.934 -12.610 313 H LYS 41 H LYS 41 -7.144 -18.700 -9.332 314 HA LYS 41 HA LYS 41 -6.735 -18.435 -6.785 315 HB2 LYS 41 HB2 LYS 41 -4.434 -18.505 -7.092 316 HB3 LYS 41 HB3 LYS 41 -5.207 -19.337 -8.449 317 HG2 LYS 41 HG2 LYS 41 -4.922 -17.222 -9.816 318 HG3 LYS 41 HG3 LYS 41 -4.000 -16.546 -8.453 319 HD2 LYS 41 HD2 LYS 41 -2.386 -18.410 -8.618 320 HD3 LYS 41 HD3 LYS 41 -3.251 -19.001 -10.070 321 HE2 LYS 41 HE2 LYS 41 -2.986 -16.788 -11.134 322 HE3 LYS 41 HE3 LYS 41 -2.210 -16.165 -9.679 323 HZ1 LYS 41 HZ1 LYS 41 -1.078 -18.241 -11.484 324 HZ2 LYS 41 HZ2 LYS 41 -0.538 -16.700 -11.296 325 HZ3 LYS 41 HZ3 LYS 41 -0.382 -17.777 -10.075 326 H SER 42 H SER 42 -6.081 -15.486 -8.693 327 HA SER 42 HA SER 42 -5.759 -13.934 -6.165 328 HB2 SER 42 HB2 SER 42 -4.584 -12.300 -7.751 329 HB3 SER 42 HB3 SER 42 -3.784 -13.825 -7.361 330 HG SER 42 HG SER 42 -5.005 -13.041 -9.780 331 H CYS 43 H CYS 43 -8.061 -14.284 -8.678 332 HA CYS 43 HA CYS 43 -8.851 -11.653 -9.162 333 HB2 CYS 43 HB2 CYS 43 -10.539 -14.174 -9.149 334 HB3 CYS 43 HB3 CYS 43 -10.971 -12.637 -9.917 335 HG CYS 43 HG CYS 43 -8.794 -12.520 -11.463 336 H GLN 44 H GLN 44 -9.913 -10.124 -8.139 337 HA GLN 44 HA GLN 44 -10.834 -10.452 -5.385 338 HB2 GLN 44 HB2 GLN 44 -9.492 -8.549 -6.244 339 HB3 GLN 44 HB3 GLN 44 -10.849 -8.050 -7.263 340 HG2 GLN 44 HG2 GLN 44 -12.207 -7.581 -5.287 341 HG3 GLN 44 HG3 GLN 44 -10.962 -8.247 -4.220 342 HE21 GLN 44 HE21 GLN 44 -12.222 -5.323 -4.875 343 HE22 GLN 44 HE22 GLN 44 -10.742 -4.371 -4.842 344 H VAL 45 H VAL 45 -12.842 -10.848 -4.792 345 HA VAL 45 HA VAL 45 -15.148 -10.577 -6.701 346 HB VAL 45 HB VAL 45 -14.886 -12.571 -4.438 347 HG11 VAL 45 HG11 VAL 45 -16.867 -12.404 -6.744 348 HG12 VAL 45 HG12 VAL 45 -16.799 -13.699 -5.532 349 HG13 VAL 45 HG13 VAL 45 -17.221 -12.061 -5.037 350 HG21 VAL 45 HG21 VAL 45 -14.494 -13.175 -7.382 351 HG22 VAL 45 HG22 VAL 45 -13.228 -13.206 -6.139 352 HG23 VAL 45 HG23 VAL 45 -14.563 -14.354 -6.067 353 H GLU 46 H GLU 46 -16.866 -9.422 -6.000 354 HA GLU 46 HA GLU 46 -17.238 -8.779 -3.114 355 HB2 GLU 46 HB2 GLU 46 -16.887 -6.722 -5.336 356 HB3 GLU 46 HB3 GLU 46 -17.576 -6.369 -3.746 357 HG2 GLU 46 HG2 GLU 46 -15.468 -7.030 -2.647 358 HG3 GLU 46 HG3 GLU 46 -14.759 -7.438 -4.213 359 H ASN 47 H ASN 47 -19.302 -8.812 -2.559 360 HA ASN 47 HA ASN 47 -21.496 -9.319 -2.658 361 HB2 ASN 47 HB2 ASN 47 -21.130 -6.786 -2.662 362 HB3 ASN 47 HB3 ASN 47 -21.549 -6.829 -4.379 363 HD21 ASN 47 HD21 ASN 47 -23.433 -5.525 -4.088 364 HD22 ASN 47 HD22 ASN 47 -24.845 -6.149 -3.245 365 H GLY 48 H GLY 48 -20.367 -10.955 -4.655 366 HA2 GLY 48 HA2 GLY 48 -21.406 -12.519 -6.081 367 HA3 GLY 48 HA3 GLY 48 -22.787 -11.435 -6.281 368 H ARG 49 H ARG 49 -19.731 -9.952 -6.821 369 HA ARG 49 HA ARG 49 -19.722 -10.413 -9.755 370 HB2 ARG 49 HB2 ARG 49 -19.615 -7.635 -8.489 371 HB3 ARG 49 HB3 ARG 49 -19.576 -8.057 -10.199 372 HG2 ARG 49 HG2 ARG 49 -21.910 -9.066 -9.878 373 HG3 ARG 49 HG3 ARG 49 -21.932 -8.268 -8.294 374 HD2 ARG 49 HD2 ARG 49 -21.662 -6.083 -9.351 375 HD3 ARG 49 HD3 ARG 49 -21.319 -6.856 -10.905 376 HE ARG 49 HE ARG 49 -23.993 -7.112 -9.604 377 HH11 ARG 49 HH11 ARG 49 -25.565 -6.394 -12.572 378 HH12 ARG 49 HH12 ARG 49 -25.762 -6.848 -10.908 379 HH21 ARG 49 HH21 ARG 49 -23.587 -6.022 -13.427 380 HH22 ARG 49 HH22 ARG 49 -22.136 -6.212 -12.483 381 H VAL 50 H VAL 50 -17.887 -9.408 -10.773 382 HA VAL 50 HA VAL 50 -15.341 -9.303 -9.223 383 HB VAL 50 HB VAL 50 -14.365 -10.667 -11.158 384 HG11 VAL 50 HG11 VAL 50 -16.096 -11.983 -9.053 385 HG12 VAL 50 HG12 VAL 50 -14.893 -12.835 -10.039 386 HG13 VAL 50 HG13 VAL 50 -14.380 -11.542 -8.951 387 HG21 VAL 50 HG21 VAL 50 -17.241 -11.652 -11.466 388 HG22 VAL 50 HG22 VAL 50 -16.274 -10.817 -12.692 389 HG23 VAL 50 HG23 VAL 50 -15.804 -12.428 -12.125 390 H ILE 51 H ILE 51 -13.876 -7.834 -10.158 391 HA ILE 51 HA ILE 51 -14.984 -6.129 -12.323 392 HB ILE 51 HB ILE 51 -12.600 -5.767 -10.485 393 HG12 ILE 51 HG12 ILE 51 -15.386 -4.576 -10.607 394 HG13 ILE 51 HG13 ILE 51 -14.738 -5.636 -9.354 395 HG21 ILE 51 HG21 ILE 51 -12.194 -4.653 -12.684 396 HG22 ILE 51 HG22 ILE 51 -13.780 -3.859 -12.569 397 HG23 ILE 51 HG23 ILE 51 -12.471 -3.476 -11.423 398 HD11 ILE 51 HD11 ILE 51 -13.129 -3.834 -8.710 399 HD12 ILE 51 HD12 ILE 51 -13.965 -2.750 -9.858 400 HD13 ILE 51 HD13 ILE 51 -14.848 -3.427 -8.487 401 H ALA 52 H ALA 52 -14.410 -6.312 -14.393 402 HA ALA 52 HA ALA 52 -12.460 -8.240 -15.290 403 HB1 ALA 52 HB1 ALA 52 -13.094 -7.413 -17.537 404 HB2 ALA 52 HB2 ALA 52 -14.510 -7.800 -16.540 405 HB3 ALA 52 HB3 ALA 52 -14.036 -6.109 -16.783 406 H CYS 53 H CYS 53 -10.502 -7.908 -16.358 407 HA CYS 53 HA CYS 53 -8.868 -5.847 -15.263 408 HB2 CYS 53 HB2 CYS 53 -8.187 -8.190 -15.720 409 HB3 CYS 53 HB3 CYS 53 -8.176 -7.833 -17.449 410 H PHE 54 H PHE 54 -9.290 -3.847 -15.809 411 HA PHE 54 HA PHE 54 -9.830 -2.808 -18.433 412 HB2 PHE 54 HB2 PHE 54 -9.096 -0.620 -17.437 413 HB3 PHE 54 HB3 PHE 54 -10.386 -1.421 -16.574 414 HD1 PHE 54 HD1 PHE 54 -6.823 -0.452 -16.436 415 HD2 PHE 54 HD2 PHE 54 -10.093 -2.309 -14.321 416 HE1 PHE 54 HE1 PHE 54 -5.489 -0.416 -14.355 417 HE2 PHE 54 HE2 PHE 54 -8.786 -2.225 -12.222 418 HZ PHE 54 HZ PHE 54 -6.474 -1.282 -12.224 419 H ASP 55 H ASP 55 -6.790 -3.441 -16.661 420 HA ASP 55 HA ASP 55 -5.039 -2.169 -18.548 421 HB2 ASP 55 HB2 ASP 55 -4.540 -4.473 -16.632 422 HB3 ASP 55 HB3 ASP 55 -3.296 -3.659 -17.572 423 H SER 56 H SER 56 -6.271 -5.589 -18.370 424 HA SER 56 HA SER 56 -4.825 -6.480 -20.676 425 HB2 SER 56 HB2 SER 56 -5.809 -8.008 -19.067 426 HB3 SER 56 HB3 SER 56 -7.444 -7.476 -19.503 427 HG SER 56 HG SER 56 -6.653 -9.451 -20.555 428 H LEU 57 H LEU 57 -8.118 -5.079 -20.366 429 HA LEU 57 HA LEU 57 -8.815 -5.216 -23.145 430 HB2 LEU 57 HB2 LEU 57 -9.729 -3.518 -20.800 431 HB3 LEU 57 HB3 LEU 57 -10.399 -3.270 -22.405 432 HG LEU 57 HG LEU 57 -10.475 -5.975 -21.002 433 HD11 LEU 57 HD11 LEU 57 -11.706 -4.305 -19.686 434 HD12 LEU 57 HD12 LEU 57 -12.603 -3.795 -21.136 435 HD13 LEU 57 HD13 LEU 57 -12.823 -5.430 -20.471 436 HD21 LEU 57 HD21 LEU 57 -12.352 -6.360 -22.643 437 HD22 LEU 57 HD22 LEU 57 -11.967 -4.810 -23.404 438 HD23 LEU 57 HD23 LEU 57 -10.789 -6.141 -23.435 439 H LYS 58 H LYS 58 -7.199 -2.597 -21.304 440 HA LYS 58 HA LYS 58 -7.029 -0.831 -23.648 441 HB2 LYS 58 HB2 LYS 58 -5.832 -0.664 -20.853 442 HB3 LYS 58 HB3 LYS 58 -5.690 0.603 -22.055 443 HG2 LYS 58 HG2 LYS 58 -8.308 -0.391 -20.845 444 HG3 LYS 58 HG3 LYS 58 -7.448 1.068 -20.388 445 HD2 LYS 58 HD2 LYS 58 -8.804 0.513 -23.059 446 HD3 LYS 58 HD3 LYS 58 -9.380 1.572 -21.767 447 HE2 LYS 58 HE2 LYS 58 -7.349 3.002 -22.044 448 HE3 LYS 58 HE3 LYS 58 -6.814 1.971 -23.378 449 HZ1 LYS 58 HZ1 LYS 58 -8.847 2.586 -24.579 450 HZ2 LYS 58 HZ2 LYS 58 -9.335 3.544 -23.348 451 HZ3 LYS 58 HZ3 LYS 58 -7.995 3.923 -24.196 452 H GLY 59 H GLY 59 -5.111 -3.453 -22.619 453 HA2 GLY 59 HA2 GLY 59 -3.299 -4.371 -23.777 454 HA3 GLY 59 HA3 GLY 59 -3.099 -2.883 -24.701 455 H ARG 60 H ARG 60 -3.165 -3.261 -21.172 456 HA ARG 60 HA ARG 60 -0.322 -2.330 -20.932 457 HB2 ARG 60 HB2 ARG 60 -2.127 -0.637 -20.471 458 HB3 ARG 60 HB3 ARG 60 -2.687 -1.633 -19.125 459 HG2 ARG 60 HG2 ARG 60 -0.650 -1.264 -17.892 460 HG3 ARG 60 HG3 ARG 60 0.171 -0.597 -19.319 461 HD2 ARG 60 HD2 ARG 60 -0.416 1.211 -17.833 462 HD3 ARG 60 HD3 ARG 60 -1.393 1.330 -19.308 463 HE ARG 60 HE ARG 60 -2.772 -0.179 -17.239 464 HH11 ARG 60 HH11 ARG 60 -3.520 3.720 -17.189 465 HH12 ARG 60 HH12 ARG 60 -2.113 3.176 -18.066 466 HH21 ARG 60 HH21 ARG 60 -4.832 2.211 -16.125 467 HH22 ARG 60 HH22 ARG 60 -4.386 0.498 -16.233 468 H CYS 61 H CYS 61 -2.588 -4.786 -19.867 469 HA CYS 61 HA CYS 61 -1.243 -5.418 -17.423 470 HB2 CYS 61 HB2 CYS 61 -3.635 -5.981 -18.107 471 HB3 CYS 61 HB3 CYS 61 -2.981 -7.336 -19.019 472 H SER 62 H SER 62 0.098 -7.007 -16.867 473 HA SER 62 HA SER 62 1.379 -8.891 -18.713 474 HB2 SER 62 HB2 SER 62 3.665 -8.054 -18.335 475 HB3 SER 62 HB3 SER 62 2.667 -6.849 -19.158 476 HG SER 62 HG SER 62 3.895 -5.929 -17.447 477 H ARG 63 H ARG 63 0.006 -8.451 -15.871 478 HA ARG 63 HA ARG 63 1.822 -9.495 -13.885 479 HB2 ARG 63 HB2 ARG 63 -1.210 -9.204 -14.051 480 HB3 ARG 63 HB3 ARG 63 -0.366 -9.718 -12.588 481 HG2 ARG 63 HG2 ARG 63 0.842 -7.595 -12.474 482 HG3 ARG 63 HG3 ARG 63 0.074 -7.027 -13.964 483 HD2 ARG 63 HD2 ARG 63 -1.473 -7.841 -11.465 484 HD3 ARG 63 HD3 ARG 63 -0.947 -6.193 -11.783 485 HE ARG 63 HE ARG 63 -2.993 -7.726 -13.385 486 HH11 ARG 63 HH11 ARG 63 -1.617 -4.509 -12.729 487 HH12 ARG 63 HH12 ARG 63 -2.912 -3.802 -13.707 488 HH21 ARG 63 HH21 ARG 63 -4.322 -4.935 -14.685 489 HH22 ARG 63 HH22 ARG 63 -4.337 -6.690 -14.634 490 H GLU 64 H GLU 64 1.526 -11.385 -12.654 491 HA GLU 64 HA GLU 64 0.455 -13.801 -14.077 492 HB2 GLU 64 HB2 GLU 64 2.935 -13.613 -12.322 493 HB3 GLU 64 HB3 GLU 64 2.264 -15.097 -13.012 494 HG2 GLU 64 HG2 GLU 64 2.606 -14.151 -15.309 495 HG3 GLU 64 HG3 GLU 64 3.405 -12.751 -14.588 496 H ASN 65 H ASN 65 -0.126 -11.802 -11.628 497 HA ASN 65 HA ASN 65 -1.726 -13.710 -10.031 498 HB2 ASN 65 HB2 ASN 65 0.407 -11.779 -9.008 499 HB3 ASN 65 HB3 ASN 65 -0.833 -12.473 -7.961 500 HD21 ASN 65 HD21 ASN 65 -0.845 -14.816 -7.604 501 HD22 ASN 65 HD22 ASN 65 0.669 -15.688 -7.797 502 H CYS 66 H CYS 66 -2.424 -11.891 -12.123 503 HA CYS 66 HA CYS 66 -3.273 -9.334 -11.365 504 HB2 CYS 66 HB2 CYS 66 -2.996 -10.444 -13.668 505 HB3 CYS 66 HB3 CYS 66 -4.572 -11.195 -13.406 506 H LYS 67 H LYS 67 -4.956 -8.552 -10.256 507 HA LYS 67 HA LYS 67 -6.738 -10.410 -8.839 508 HB2 LYS 67 HB2 LYS 67 -7.004 -7.425 -8.632 509 HB3 LYS 67 HB3 LYS 67 -7.345 -8.684 -7.446 510 HG2 LYS 67 HG2 LYS 67 -4.831 -9.087 -7.301 511 HG3 LYS 67 HG3 LYS 67 -4.620 -7.617 -8.279 512 HD2 LYS 67 HD2 LYS 67 -6.101 -7.797 -5.619 513 HD3 LYS 67 HD3 LYS 67 -4.446 -7.206 -5.812 514 HE2 LYS 67 HE2 LYS 67 -5.119 -5.253 -6.967 515 HE3 LYS 67 HE3 LYS 67 -6.708 -5.904 -7.369 516 HZ1 LYS 67 HZ1 LYS 67 -5.907 -5.252 -4.596 517 HZ2 LYS 67 HZ2 LYS 67 -6.781 -4.265 -5.564 518 HZ3 LYS 67 HZ3 LYS 67 -7.406 -5.701 -5.118 519 H TYR 68 H TYR 68 -6.985 -9.127 -11.843 520 HA TYR 68 HA TYR 68 -9.942 -8.716 -11.660 521 HB2 TYR 68 HB2 TYR 68 -7.933 -7.411 -13.503 522 HB3 TYR 68 HB3 TYR 68 -9.658 -7.073 -13.409 523 HD1 TYR 68 HD1 TYR 68 -10.624 -6.064 -11.304 524 HD2 TYR 68 HD2 TYR 68 -6.377 -6.389 -11.949 525 HE1 TYR 68 HE1 TYR 68 -10.229 -4.437 -9.459 526 HE2 TYR 68 HE2 TYR 68 -5.974 -4.759 -10.104 527 HH TYR 68 HH TYR 68 -8.658 -3.304 -8.227 528 H LEU 69 H LEU 69 -11.232 -9.328 -13.365 529 HA LEU 69 HA LEU 69 -10.513 -11.916 -14.473 530 HB2 LEU 69 HB2 LEU 69 -12.956 -10.167 -14.328 531 HB3 LEU 69 HB3 LEU 69 -12.908 -11.323 -15.639 532 HG LEU 69 HG LEU 69 -14.080 -12.054 -13.572 533 HD11 LEU 69 HD11 LEU 69 -11.756 -13.829 -14.421 534 HD12 LEU 69 HD12 LEU 69 -13.268 -14.347 -13.651 535 HD13 LEU 69 HD13 LEU 69 -13.301 -13.659 -15.281 536 HD21 LEU 69 HD21 LEU 69 -12.885 -12.832 -11.653 537 HD22 LEU 69 HD22 LEU 69 -11.315 -12.506 -12.410 538 HD23 LEU 69 HD23 LEU 69 -12.357 -11.160 -11.938 539 H HIS 70 H HIS 70 -9.270 -12.163 -16.255 540 HA HIS 70 HA HIS 70 -9.124 -10.169 -18.382 541 HB2 HIS 70 HB2 HIS 70 -8.158 -13.028 -18.125 542 HB3 HIS 70 HB3 HIS 70 -8.045 -12.125 -19.631 543 HD1 HIS 70 HD1 HIS 70 -5.326 -12.177 -19.448 544 HD2 HIS 70 HD2 HIS 70 -7.406 -10.031 -16.490 545 HE1 HIS 70 HE1 HIS 70 -3.653 -10.556 -18.399 546 HA PRO 71 HA PRO 71 -13.233 -11.397 -19.417 547 HB2 PRO 71 HB2 PRO 71 -13.839 -9.769 -21.510 548 HB3 PRO 71 HB3 PRO 71 -13.657 -9.254 -19.813 549 HG2 PRO 71 HG2 PRO 71 -11.560 -9.090 -21.996 550 HG3 PRO 71 HG3 PRO 71 -12.098 -7.811 -20.852 551 HD2 PRO 71 HD2 PRO 71 -9.885 -9.338 -20.380 552 HD3 PRO 71 HD3 PRO 71 -10.953 -8.783 -19.061 553 HA PRO 72 HA PRO 72 -12.636 -14.531 -22.600 554 HB2 PRO 72 HB2 PRO 72 -15.030 -15.827 -22.373 555 HB3 PRO 72 HB3 PRO 72 -13.764 -15.907 -21.099 556 HG2 PRO 72 HG2 PRO 72 -16.213 -14.143 -21.232 557 HG3 PRO 72 HG3 PRO 72 -15.642 -15.115 -19.842 558 HD2 PRO 72 HD2 PRO 72 -15.079 -12.444 -20.084 559 HD3 PRO 72 HD3 PRO 72 -13.942 -13.600 -19.331 560 HA PRO 73 HA PRO 73 -14.355 -12.871 -26.293 561 HB2 PRO 73 HB2 PRO 73 -15.088 -15.109 -27.801 562 HB3 PRO 73 HB3 PRO 73 -13.435 -14.452 -27.612 563 HG2 PRO 73 HG2 PRO 73 -14.734 -16.708 -26.074 564 HG3 PRO 73 HG3 PRO 73 -13.093 -16.650 -26.797 565 HD2 PRO 73 HD2 PRO 73 -13.451 -16.194 -24.174 566 HD3 PRO 73 HD3 PRO 73 -12.309 -15.169 -25.102 567 H HIS 74 H HIS 74 -16.508 -15.203 -24.684 568 HA HIS 74 HA HIS 74 -18.907 -14.182 -26.017 569 HB2 HIS 74 HB2 HIS 74 -18.478 -16.126 -23.707 570 HB3 HIS 74 HB3 HIS 74 -20.070 -15.659 -24.293 571 HD1 HIS 74 HD1 HIS 74 -17.290 -18.057 -25.160 572 HD2 HIS 74 HD2 HIS 74 -20.656 -16.225 -26.950 573 HE1 HIS 74 HE1 HIS 74 -17.791 -19.387 -27.306 574 HE2 HIS 74 HE2 HIS 74 -19.849 -18.273 -28.386 575 H LEU 75 H LEU 75 -17.101 -12.933 -23.383 576 HA LEU 75 HA LEU 75 -19.454 -11.275 -22.546 577 HB2 LEU 75 HB2 LEU 75 -17.081 -12.121 -20.877 578 HB3 LEU 75 HB3 LEU 75 -18.340 -11.033 -20.344 579 HG LEU 75 HG LEU 75 -18.790 -13.944 -21.169 580 HD11 LEU 75 HD11 LEU 75 -17.549 -13.549 -18.962 581 HD12 LEU 75 HD12 LEU 75 -19.074 -12.838 -18.369 582 HD13 LEU 75 HD13 LEU 75 -19.028 -14.518 -18.925 583 HD21 LEU 75 HD21 LEU 75 -20.683 -11.868 -19.976 584 HD22 LEU 75 HD22 LEU 75 -20.814 -12.639 -21.573 585 HD23 LEU 75 HD23 LEU 75 -21.036 -13.608 -20.121 586 H LYS 76 H LYS 76 -16.278 -11.083 -23.962 587 HA LYS 76 HA LYS 76 -15.630 -8.361 -23.397 588 HB2 LYS 76 HB2 LYS 76 -15.185 -10.131 -25.828 589 HB3 LYS 76 HB3 LYS 76 -14.649 -8.442 -25.786 590 HG2 LYS 76 HG2 LYS 76 -13.257 -8.833 -23.839 591 HG3 LYS 76 HG3 LYS 76 -13.874 -10.473 -23.660 592 HD2 LYS 76 HD2 LYS 76 -11.673 -10.559 -24.619 593 HD3 LYS 76 HD3 LYS 76 -12.853 -11.124 -25.808 594 HE2 LYS 76 HE2 LYS 76 -12.785 -8.901 -26.929 595 HE3 LYS 76 HE3 LYS 76 -11.648 -8.315 -25.705 596 HZ1 LYS 76 HZ1 LYS 76 -10.492 -9.030 -27.717 597 HZ2 LYS 76 HZ2 LYS 76 -10.058 -9.999 -26.478 598 HZ3 LYS 76 HZ3 LYS 76 -11.108 -10.536 -27.610 599 H THR 77 H THR 77 -18.004 -9.709 -25.674 600 HA THR 77 HA THR 77 -18.783 -7.275 -26.970 601 HB THR 77 HB THR 77 -20.518 -9.701 -26.388 602 HG1 THR 77 HG1 THR 77 -18.769 -9.253 -28.577 603 HG21 THR 77 HG21 THR 77 -21.778 -7.850 -27.379 604 HG22 THR 77 HG22 THR 77 -20.550 -7.653 -28.649 605 HG23 THR 77 HG23 THR 77 -21.546 -9.127 -28.582 606 H GLN 78 H GLN 78 -19.953 -8.886 -23.979 607 HA GLN 78 HA GLN 78 -22.151 -7.056 -23.516 608 HB2 GLN 78 HB2 GLN 78 -20.642 -8.885 -21.592 609 HB3 GLN 78 HB3 GLN 78 -22.179 -8.088 -21.263 610 HG2 GLN 78 HG2 GLN 78 -21.651 -10.259 -23.339 611 HG3 GLN 78 HG3 GLN 78 -22.533 -10.440 -21.832 612 HE21 GLN 78 HE21 GLN 78 -23.329 -10.747 -24.816 613 HE22 GLN 78 HE22 GLN 78 -24.802 -9.792 -24.907 614 H LEU 79 H LEU 79 -18.773 -7.266 -22.351 615 HA LEU 79 HA LEU 79 -18.907 -4.955 -20.650 616 HB2 LEU 79 HB2 LEU 79 -16.537 -6.231 -22.075 617 HB3 LEU 79 HB3 LEU 79 -16.418 -4.964 -20.854 618 HG LEU 79 HG LEU 79 -17.503 -7.778 -20.412 619 HD11 LEU 79 HD11 LEU 79 -15.060 -7.541 -20.662 620 HD12 LEU 79 HD12 LEU 79 -15.042 -6.346 -19.346 621 HD13 LEU 79 HD13 LEU 79 -15.529 -8.027 -19.019 622 HD21 LEU 79 HD21 LEU 79 -17.485 -7.086 -17.972 623 HD22 LEU 79 HD22 LEU 79 -17.341 -5.404 -18.527 624 HD23 LEU 79 HD23 LEU 79 -18.773 -6.374 -18.947 625 H GLU 80 H GLU 80 -17.902 -5.164 -24.162 626 HA GLU 80 HA GLU 80 -17.396 -2.323 -24.205 627 HB2 GLU 80 HB2 GLU 80 -17.254 -2.355 -26.508 628 HB3 GLU 80 HB3 GLU 80 -16.487 -3.827 -25.933 629 HG2 GLU 80 HG2 GLU 80 -18.316 -5.178 -26.711 630 HG3 GLU 80 HG3 GLU 80 -19.336 -3.770 -27.027 631 H ILE 81 H ILE 81 -20.424 -4.148 -24.682 632 HA ILE 81 HA ILE 81 -22.010 -1.879 -25.510 633 HB ILE 81 HB ILE 81 -22.687 -4.556 -24.251 634 HG12 ILE 81 HG12 ILE 81 -23.316 -3.382 -27.000 635 HG13 ILE 81 HG13 ILE 81 -21.884 -4.342 -26.666 636 HG21 ILE 81 HG21 ILE 81 -24.661 -2.388 -25.113 637 HG22 ILE 81 HG22 ILE 81 -25.088 -4.055 -24.677 638 HG23 ILE 81 HG23 ILE 81 -24.425 -2.991 -23.454 639 HD11 ILE 81 HD11 ILE 81 -24.761 -5.310 -26.510 640 HD12 ILE 81 HD12 ILE 81 -23.507 -5.789 -27.659 641 HD13 ILE 81 HD13 ILE 81 -23.357 -6.252 -25.952 642 H ASN 82 H ASN 82 -21.258 -3.229 -22.258 643 HA ASN 82 HA ASN 82 -22.763 -1.292 -20.758 644 HB2 ASN 82 HB2 ASN 82 -20.229 -2.835 -20.038 645 HB3 ASN 82 HB3 ASN 82 -21.178 -1.884 -18.903 646 HD21 ASN 82 HD21 ASN 82 -20.661 -4.380 -18.230 647 HD22 ASN 82 HD22 ASN 82 -22.121 -5.357 -18.374 648 H GLY 83 H GLY 83 -19.386 -1.262 -21.962 649 HA2 GLY 83 HA2 GLY 83 -18.537 1.200 -20.807 650 HA3 GLY 83 HA3 GLY 83 -17.846 0.415 -22.236 651 H ARG 84 H ARG 84 -19.908 0.519 -24.070 652 HA ARG 84 HA ARG 84 -19.910 3.201 -25.092 653 HB2 ARG 84 HB2 ARG 84 -21.677 0.782 -25.642 654 HB3 ARG 84 HB3 ARG 84 -21.809 2.289 -26.552 655 HG2 ARG 84 HG2 ARG 84 -19.594 2.089 -27.447 656 HG3 ARG 84 HG3 ARG 84 -19.177 0.766 -26.360 657 HD2 ARG 84 HD2 ARG 84 -20.985 -0.628 -27.408 658 HD3 ARG 84 HD3 ARG 84 -21.268 0.657 -28.583 659 HE ARG 84 HE ARG 84 -19.111 -1.316 -28.565 660 HH11 ARG 84 HH11 ARG 84 -18.665 1.704 -31.107 661 HH12 ARG 84 HH12 ARG 84 -19.832 1.890 -29.827 662 HH21 ARG 84 HH21 ARG 84 -17.481 -0.195 -31.284 663 HH22 ARG 84 HH22 ARG 84 -17.772 -1.492 -30.119 664 H ASN 85 H ASN 85 -22.293 1.487 -23.098 665 HA ASN 85 HA ASN 85 -24.200 3.684 -23.020 666 HB2 ASN 85 HB2 ASN 85 -23.906 1.026 -21.582 667 HB3 ASN 85 HB3 ASN 85 -25.081 2.211 -21.035 668 HD21 ASN 85 HD21 ASN 85 -24.289 0.012 -23.673 669 HD22 ASN 85 HD22 ASN 85 -25.853 0.196 -24.473 670 H ASN 86 H ASN 86 -21.161 3.555 -21.601 671 HA ASN 86 HA ASN 86 -21.997 5.399 -19.388 672 HB2 ASN 86 HB2 ASN 86 -21.010 3.173 -18.709 673 HB3 ASN 86 HB3 ASN 86 -19.502 3.649 -19.498 674 HD21 ASN 86 HD21 ASN 86 -18.032 4.558 -18.079 675 HD22 ASN 86 HD22 ASN 86 -18.489 5.429 -16.625 676 H LEU 87 H LEU 87 -19.667 4.877 -22.037 677 HA LEU 87 HA LEU 87 -17.991 7.101 -21.715 678 HB2 LEU 87 HB2 LEU 87 -17.754 5.135 -23.278 679 HB3 LEU 87 HB3 LEU 87 -19.029 5.818 -24.282 680 HG LEU 87 HG LEU 87 -17.555 7.831 -24.689 681 HD11 LEU 87 HD11 LEU 87 -15.461 6.115 -23.271 682 HD12 LEU 87 HD12 LEU 87 -15.129 7.594 -24.195 683 HD13 LEU 87 HD13 LEU 87 -16.077 7.683 -22.705 684 HD21 LEU 87 HD21 LEU 87 -16.364 5.122 -25.411 685 HD22 LEU 87 HD22 LEU 87 -17.668 5.958 -26.284 686 HD23 LEU 87 HD23 LEU 87 -16.045 6.664 -26.240 687 H ILE 88 H ILE 88 -21.225 6.946 -23.029 688 HA ILE 88 HA ILE 88 -21.457 9.500 -24.266 689 HB ILE 88 HB ILE 88 -23.925 9.107 -23.979 690 HG12 ILE 88 HG12 ILE 88 -23.053 6.505 -22.629 691 HG13 ILE 88 HG13 ILE 88 -23.823 7.869 -21.820 692 HG21 ILE 88 HG21 ILE 88 -23.983 7.279 -25.591 693 HG22 ILE 88 HG22 ILE 88 -22.618 8.341 -25.934 694 HG23 ILE 88 HG23 ILE 88 -22.341 6.778 -25.141 695 HD11 ILE 88 HD11 ILE 88 -25.468 6.171 -22.222 696 HD12 ILE 88 HD12 ILE 88 -25.835 7.546 -23.285 697 HD13 ILE 88 HD13 ILE 88 -25.061 6.078 -23.941 698 H GLN 89 H GLN 89 -21.230 8.832 -20.874 699 HA GLN 89 HA GLN 89 -22.886 10.840 -19.782 700 HB2 GLN 89 HB2 GLN 89 -21.743 9.019 -18.529 701 HB3 GLN 89 HB3 GLN 89 -20.194 9.820 -18.787 702 HG2 GLN 89 HG2 GLN 89 -21.013 10.241 -16.531 703 HG3 GLN 89 HG3 GLN 89 -20.934 11.743 -17.432 704 HE21 GLN 89 HE21 GLN 89 -22.473 12.723 -15.927 705 HE22 GLN 89 HE22 GLN 89 -24.173 12.283 -16.006 706 H GLN 90 H GLN 90 -19.846 11.188 -21.472 707 HA GLN 90 HA GLN 90 -19.042 13.801 -20.640 708 HB2 GLN 90 HB2 GLN 90 -18.691 12.308 -23.274 709 HB3 GLN 90 HB3 GLN 90 -17.814 13.777 -22.834 710 HG2 GLN 90 HG2 GLN 90 -16.709 12.662 -20.976 711 HG3 GLN 90 HG3 GLN 90 -17.658 11.191 -21.219 712 HE21 GLN 90 HE21 GLN 90 -17.386 10.007 -23.294 713 HE22 GLN 90 HE22 GLN 90 -15.811 10.109 -24.092 714 H LYS 91 H LYS 91 -21.774 12.867 -22.520 715 HA LYS 91 HA LYS 91 -22.275 15.671 -23.455 716 HB2 LYS 91 HB2 LYS 91 -22.927 13.060 -24.892 717 HB3 LYS 91 HB3 LYS 91 -23.377 14.681 -25.434 718 HG2 LYS 91 HG2 LYS 91 -20.968 15.289 -25.632 719 HG3 LYS 91 HG3 LYS 91 -20.522 13.660 -25.124 720 HD2 LYS 91 HD2 LYS 91 -20.347 13.769 -27.520 721 HD3 LYS 91 HD3 LYS 91 -21.658 12.688 -27.072 722 HE2 LYS 91 HE2 LYS 91 -22.376 13.971 -28.961 723 HE3 LYS 91 HE3 LYS 91 -23.314 14.498 -27.565 724 HZ1 LYS 91 HZ1 LYS 91 -22.502 16.378 -28.885 725 HZ2 LYS 91 HZ2 LYS 91 -21.834 16.442 -27.400 726 HZ3 LYS 91 HZ3 LYS 91 -20.950 15.927 -28.677 727 H ASN 92 H ASN 92 -23.146 14.089 -20.992 728 HA ASN 92 HA ASN 92 -25.870 13.417 -21.098 729 HB2 ASN 92 HB2 ASN 92 -25.861 13.473 -18.737 730 HB3 ASN 92 HB3 ASN 92 -24.258 12.952 -19.211 731 HD21 ASN 92 HD21 ASN 92 -22.452 14.374 -18.734 732 HD22 ASN 92 HD22 ASN 92 -22.680 15.780 -17.691 Start of MODEL 4 1 H MET 1 H MET 1 -19.720 20.649 -10.226 2 HA MET 1 HA MET 1 -19.629 19.828 -7.973 3 HB2 MET 1 HB2 MET 1 -21.929 20.349 -8.924 4 HB3 MET 1 HB3 MET 1 -22.146 18.620 -9.198 5 HG2 MET 1 HG2 MET 1 -23.260 19.290 -7.164 6 HG3 MET 1 HG3 MET 1 -21.925 18.225 -6.753 7 HE1 MET 1 HE1 MET 1 -23.468 19.915 -4.596 8 HE2 MET 1 HE2 MET 1 -22.071 18.876 -4.226 9 HE3 MET 1 HE3 MET 1 -22.120 20.546 -3.624 10 H ALA 2 H ALA 2 -19.399 17.405 -10.380 11 HA ALA 2 HA ALA 2 -19.704 14.981 -8.995 12 HB1 ALA 2 HB1 ALA 2 -19.498 15.207 -11.440 13 HB2 ALA 2 HB2 ALA 2 -17.788 15.672 -11.264 14 HB3 ALA 2 HB3 ALA 2 -18.323 14.040 -10.807 15 H VAL 3 H VAL 3 -17.077 17.256 -8.697 16 HA VAL 3 HA VAL 3 -15.017 15.570 -7.658 17 HB VAL 3 HB VAL 3 -14.059 17.643 -6.717 18 HG11 VAL 3 HG11 VAL 3 -13.673 18.786 -8.825 19 HG12 VAL 3 HG12 VAL 3 -13.687 17.034 -9.084 20 HG13 VAL 3 HG13 VAL 3 -15.091 18.014 -9.560 21 HG21 VAL 3 HG21 VAL 3 -16.556 19.058 -7.766 22 HG22 VAL 3 HG22 VAL 3 -16.145 18.826 -6.053 23 HG23 VAL 3 HG23 VAL 3 -15.108 19.817 -7.083 24 H SER 4 H SER 4 -17.993 16.405 -6.199 25 HA SER 4 HA SER 4 -17.266 16.449 -3.425 26 HB2 SER 4 HB2 SER 4 -19.915 15.650 -4.698 27 HB3 SER 4 HB3 SER 4 -19.651 16.128 -3.012 28 HG SER 4 HG SER 4 -19.545 17.690 -5.360 29 H VAL 5 H VAL 5 -17.170 13.787 -5.559 30 HA VAL 5 HA VAL 5 -16.936 11.874 -3.320 31 HB VAL 5 HB VAL 5 -19.318 11.861 -4.038 32 HG11 VAL 5 HG11 VAL 5 -19.048 12.332 -6.452 33 HG12 VAL 5 HG12 VAL 5 -18.320 10.727 -6.680 34 HG13 VAL 5 HG13 VAL 5 -20.006 10.876 -6.151 35 HG21 VAL 5 HG21 VAL 5 -19.620 9.500 -4.101 36 HG22 VAL 5 HG22 VAL 5 -17.976 9.218 -4.689 37 HG23 VAL 5 HG23 VAL 5 -18.245 9.847 -3.042 38 H THR 6 H THR 6 -15.885 9.848 -3.949 39 HA THR 6 HA THR 6 -13.644 10.243 -5.695 40 HB THR 6 HB THR 6 -13.302 7.733 -5.233 41 HG1 THR 6 HG1 THR 6 -14.554 6.906 -3.561 42 HG21 THR 6 HG21 THR 6 -12.197 9.514 -3.916 43 HG22 THR 6 HG22 THR 6 -13.609 9.601 -2.839 44 HG23 THR 6 HG23 THR 6 -12.622 8.122 -2.909 45 HA PRO 7 HA PRO 7 -15.251 8.802 -9.551 46 HB2 PRO 7 HB2 PRO 7 -13.045 7.832 -10.844 47 HB3 PRO 7 HB3 PRO 7 -13.275 9.567 -10.474 48 HG2 PRO 7 HG2 PRO 7 -11.684 7.524 -8.891 49 HG3 PRO 7 HG3 PRO 7 -11.165 9.156 -9.427 50 HD2 PRO 7 HD2 PRO 7 -12.124 8.700 -6.920 51 HD3 PRO 7 HD3 PRO 7 -12.493 10.216 -7.793 52 H ILE 8 H ILE 8 -15.842 6.995 -10.759 53 HA ILE 8 HA ILE 8 -15.081 4.274 -9.959 54 HB ILE 8 HB ILE 8 -16.848 4.941 -8.340 55 HG12 ILE 8 HG12 ILE 8 -17.772 2.679 -10.150 56 HG13 ILE 8 HG13 ILE 8 -16.400 2.569 -9.044 57 HG21 ILE 8 HG21 ILE 8 -18.199 6.399 -9.866 58 HG22 ILE 8 HG22 ILE 8 -18.776 4.940 -10.706 59 HG23 ILE 8 HG23 ILE 8 -19.168 5.214 -8.999 60 HD11 ILE 8 HD11 ILE 8 -18.342 1.585 -8.000 61 HD12 ILE 8 HD12 ILE 8 -17.930 3.077 -7.131 62 HD13 ILE 8 HD13 ILE 8 -19.306 3.046 -8.263 63 H ARG 9 H ARG 9 -16.568 6.422 -12.282 64 HA ARG 9 HA ARG 9 -17.779 4.656 -14.073 65 HB2 ARG 9 HB2 ARG 9 -17.862 7.140 -14.091 66 HB3 ARG 9 HB3 ARG 9 -16.229 7.182 -14.772 67 HG2 ARG 9 HG2 ARG 9 -16.986 6.140 -16.829 68 HG3 ARG 9 HG3 ARG 9 -18.528 5.684 -16.091 69 HD2 ARG 9 HD2 ARG 9 -18.951 7.514 -17.539 70 HD3 ARG 9 HD3 ARG 9 -19.148 8.078 -15.891 71 HE ARG 9 HE ARG 9 -16.806 9.051 -16.098 72 HH11 ARG 9 HH11 ARG 9 -18.114 10.152 -19.721 73 HH12 ARG 9 HH12 ARG 9 -18.651 8.638 -19.055 74 HH21 ARG 9 HH21 ARG 9 -16.539 11.301 -18.677 75 HH22 ARG 9 HH22 ARG 9 -15.999 10.868 -17.083 76 H ASP 10 H ASP 10 -14.360 5.042 -13.569 77 HA ASP 10 HA ASP 10 -13.396 3.857 -15.993 78 HB2 ASP 10 HB2 ASP 10 -11.276 3.705 -14.773 79 HB3 ASP 10 HB3 ASP 10 -12.014 5.295 -14.652 80 H THR 11 H THR 11 -14.862 2.351 -13.201 81 HA THR 11 HA THR 11 -14.280 -0.313 -14.409 82 HB THR 11 HB THR 11 -14.157 -1.366 -12.195 83 HG1 THR 11 HG1 THR 11 -13.664 0.002 -10.425 84 HG21 THR 11 HG21 THR 11 -11.845 -0.797 -11.690 85 HG22 THR 11 HG22 THR 11 -12.094 -0.901 -13.439 86 HG23 THR 11 HG23 THR 11 -11.966 0.690 -12.656 87 H LYS 12 H LYS 12 -16.650 1.812 -13.258 88 HA LYS 12 HA LYS 12 -18.750 0.257 -12.290 89 HB2 LYS 12 HB2 LYS 12 -18.769 2.709 -12.556 90 HB3 LYS 12 HB3 LYS 12 -18.747 2.534 -14.314 91 HG2 LYS 12 HG2 LYS 12 -21.013 1.391 -14.146 92 HG3 LYS 12 HG3 LYS 12 -21.025 1.816 -12.420 93 HD2 LYS 12 HD2 LYS 12 -20.867 4.217 -13.013 94 HD3 LYS 12 HD3 LYS 12 -20.695 3.790 -14.728 95 HE2 LYS 12 HE2 LYS 12 -22.965 2.606 -14.523 96 HE3 LYS 12 HE3 LYS 12 -23.142 3.407 -12.955 97 HZ1 LYS 12 HZ1 LYS 12 -22.896 5.550 -14.141 98 HZ2 LYS 12 HZ2 LYS 12 -22.744 4.763 -15.577 99 HZ3 LYS 12 HZ3 LYS 12 -24.157 4.706 -14.749 100 H TRP 13 H TRP 13 -17.861 0.702 -15.716 101 HA TRP 13 HA TRP 13 -19.953 -1.014 -16.732 102 HB2 TRP 13 HB2 TRP 13 -19.381 -0.176 -18.709 103 HB3 TRP 13 HB3 TRP 13 -18.499 0.999 -17.796 104 HD1 TRP 13 HD1 TRP 13 -17.965 -2.263 -19.747 105 HE1 TRP 13 HE1 TRP 13 -15.702 -2.225 -20.920 106 HE3 TRP 13 HE3 TRP 13 -16.087 2.064 -17.734 107 HZ2 TRP 13 HZ2 TRP 13 -13.340 -0.587 -20.942 108 HZ3 TRP 13 HZ3 TRP 13 -13.800 2.820 -18.357 109 HH2 TRP 13 HH2 TRP 13 -12.421 1.510 -19.938 110 H LEU 14 H LEU 14 -16.801 -1.652 -15.538 111 HA LEU 14 HA LEU 14 -16.430 -4.253 -16.859 112 HB2 LEU 14 HB2 LEU 14 -14.780 -2.576 -14.919 113 HB3 LEU 14 HB3 LEU 14 -14.231 -4.099 -15.539 114 HG LEU 14 HG LEU 14 -14.883 -1.659 -17.249 115 HD11 LEU 14 HD11 LEU 14 -12.193 -2.851 -16.465 116 HD12 LEU 14 HD12 LEU 14 -12.469 -1.448 -17.528 117 HD13 LEU 14 HD13 LEU 14 -12.882 -1.353 -15.815 118 HD21 LEU 14 HD21 LEU 14 -15.113 -3.760 -18.554 119 HD22 LEU 14 HD22 LEU 14 -13.688 -2.850 -19.054 120 HD23 LEU 14 HD23 LEU 14 -13.490 -4.269 -18.019 121 H THR 15 H THR 15 -17.966 -3.261 -13.963 122 HA THR 15 HA THR 15 -17.130 -5.560 -12.358 123 HB THR 15 HB THR 15 -19.432 -3.728 -11.727 124 HG1 THR 15 HG1 THR 15 -17.384 -2.601 -12.102 125 HG21 THR 15 HG21 THR 15 -17.575 -5.433 -10.019 126 HG22 THR 15 HG22 THR 15 -18.724 -4.241 -9.385 127 HG23 THR 15 HG23 THR 15 -19.326 -5.649 -10.268 128 H LEU 16 H LEU 16 -17.549 -7.178 -13.814 129 HA LEU 16 HA LEU 16 -20.123 -7.942 -14.881 130 HB2 LEU 16 HB2 LEU 16 -17.717 -8.280 -15.744 131 HB3 LEU 16 HB3 LEU 16 -17.536 -9.524 -14.533 132 HG LEU 16 HG LEU 16 -19.048 -10.984 -15.650 133 HD11 LEU 16 HD11 LEU 16 -20.259 -10.337 -17.739 134 HD12 LEU 16 HD12 LEU 16 -20.894 -9.552 -16.297 135 HD13 LEU 16 HD13 LEU 16 -19.848 -8.636 -17.419 136 HD21 LEU 16 HD21 LEU 16 -17.964 -11.079 -17.892 137 HD22 LEU 16 HD22 LEU 16 -17.421 -9.422 -17.718 138 HD23 LEU 16 HD23 LEU 16 -16.775 -10.679 -16.646 139 H GLU 17 H GLU 17 -21.521 -9.649 -14.160 140 HA GLU 17 HA GLU 17 -21.339 -10.345 -11.331 141 HB2 GLU 17 HB2 GLU 17 -23.185 -11.498 -13.441 142 HB3 GLU 17 HB3 GLU 17 -23.302 -11.630 -11.674 143 HG2 GLU 17 HG2 GLU 17 -23.286 -8.936 -11.921 144 HG3 GLU 17 HG3 GLU 17 -24.005 -9.360 -13.475 145 H VAL 18 H VAL 18 -21.137 -12.419 -10.381 146 HA VAL 18 HA VAL 18 -19.387 -14.286 -11.861 147 HB VAL 18 HB VAL 18 -19.078 -15.467 -9.826 148 HG11 VAL 18 HG11 VAL 18 -17.834 -13.358 -10.121 149 HG12 VAL 18 HG12 VAL 18 -19.045 -12.510 -9.124 150 HG13 VAL 18 HG13 VAL 18 -18.057 -13.805 -8.422 151 HG21 VAL 18 HG21 VAL 18 -20.148 -14.779 -7.667 152 HG22 VAL 18 HG22 VAL 18 -21.287 -13.782 -8.587 153 HG23 VAL 18 HG23 VAL 18 -21.270 -15.535 -8.801 154 H CYS 19 H CYS 19 -19.841 -16.597 -12.074 155 HA CYS 19 HA CYS 19 -22.613 -17.136 -12.760 156 HB2 CYS 19 HB2 CYS 19 -20.676 -18.065 -14.007 157 HB3 CYS 19 HB3 CYS 19 -20.238 -19.011 -12.583 158 H ARG 20 H ARG 20 -24.088 -18.364 -11.691 159 HA ARG 20 HA ARG 20 -23.916 -18.563 -8.798 160 HB2 ARG 20 HB2 ARG 20 -26.054 -19.648 -10.697 161 HB3 ARG 20 HB3 ARG 20 -26.167 -19.542 -8.947 162 HG2 ARG 20 HG2 ARG 20 -27.372 -17.701 -9.619 163 HG3 ARG 20 HG3 ARG 20 -25.818 -16.999 -9.193 164 HD2 ARG 20 HD2 ARG 20 -25.907 -17.752 -12.043 165 HD3 ARG 20 HD3 ARG 20 -27.297 -16.778 -11.626 166 HE ARG 20 HE ARG 20 -24.428 -15.940 -11.282 167 HH11 ARG 20 HH11 ARG 20 -25.209 -12.663 -11.724 168 HH12 ARG 20 HH12 ARG 20 -23.940 -13.887 -11.503 169 HH21 ARG 20 HH21 ARG 20 -27.248 -13.204 -11.796 170 HH22 ARG 20 HH22 ARG 20 -27.785 -14.864 -11.644 171 H GLU 21 H GLU 21 -23.748 -21.002 -11.399 172 HA GLU 21 HA GLU 21 -23.739 -23.277 -9.556 173 HB2 GLU 21 HB2 GLU 21 -22.867 -23.054 -12.455 174 HB3 GLU 21 HB3 GLU 21 -23.096 -24.561 -11.564 175 HG2 GLU 21 HG2 GLU 21 -25.284 -22.536 -12.224 176 HG3 GLU 21 HG3 GLU 21 -24.986 -24.042 -13.078 177 H PHE 22 H PHE 22 -21.288 -21.248 -11.101 178 HA PHE 22 HA PHE 22 -18.981 -22.804 -10.446 179 HB2 PHE 22 HB2 PHE 22 -19.119 -20.957 -12.078 180 HB3 PHE 22 HB3 PHE 22 -19.304 -19.808 -10.771 181 HD1 PHE 22 HD1 PHE 22 -16.981 -22.245 -12.366 182 HD2 PHE 22 HD2 PHE 22 -17.368 -18.971 -9.589 183 HE1 PHE 22 HE1 PHE 22 -14.506 -22.043 -12.255 184 HE2 PHE 22 HE2 PHE 22 -14.898 -18.753 -9.503 185 HZ PHE 22 HZ PHE 22 -13.462 -20.295 -10.824 186 H GLN 23 H GLN 23 -21.009 -20.673 -8.479 187 HA GLN 23 HA GLN 23 -19.114 -20.353 -6.314 188 HB2 GLN 23 HB2 GLN 23 -22.155 -20.307 -6.085 189 HB3 GLN 23 HB3 GLN 23 -20.997 -19.710 -4.912 190 HG2 GLN 23 HG2 GLN 23 -21.773 -18.525 -7.562 191 HG3 GLN 23 HG3 GLN 23 -21.824 -17.786 -5.980 192 HE21 GLN 23 HE21 GLN 23 -20.047 -17.960 -8.850 193 HE22 GLN 23 HE22 GLN 23 -18.537 -17.264 -8.230 194 H ARG 24 H ARG 24 -20.998 -23.023 -7.318 195 HA ARG 24 HA ARG 24 -20.454 -24.548 -4.797 196 HB2 ARG 24 HB2 ARG 24 -22.549 -25.029 -6.976 197 HB3 ARG 24 HB3 ARG 24 -22.220 -26.105 -5.626 198 HG2 ARG 24 HG2 ARG 24 -24.042 -25.011 -4.833 199 HG3 ARG 24 HG3 ARG 24 -22.747 -24.067 -4.097 200 HD2 ARG 24 HD2 ARG 24 -23.028 -22.357 -5.904 201 HD3 ARG 24 HD3 ARG 24 -24.320 -23.337 -6.615 202 HE ARG 24 HE ARG 24 -25.045 -22.936 -3.939 203 HH11 ARG 24 HH11 ARG 24 -25.621 -19.606 -6.056 204 HH12 ARG 24 HH12 ARG 24 -24.541 -20.823 -6.702 205 HH21 ARG 24 HH21 ARG 24 -26.656 -19.912 -4.149 206 HH22 ARG 24 HH22 ARG 24 -26.411 -21.353 -3.211 207 H GLY 25 H GLY 25 -18.878 -23.950 -7.494 208 HA2 GLY 25 HA2 GLY 25 -17.301 -24.991 -8.765 209 HA3 GLY 25 HA3 GLY 25 -17.181 -26.191 -7.469 210 H THR 26 H THR 26 -20.047 -25.576 -9.512 211 HA THR 26 HA THR 26 -19.682 -28.253 -10.804 212 HB THR 26 HB THR 26 -21.091 -28.292 -8.751 213 HG1 THR 26 HG1 THR 26 -22.622 -29.616 -9.661 214 HG21 THR 26 HG21 THR 26 -23.393 -27.522 -8.835 215 HG22 THR 26 HG22 THR 26 -22.288 -26.157 -9.037 216 HG23 THR 26 HG23 THR 26 -23.142 -26.819 -10.448 217 H CYS 27 H CYS 27 -19.742 -25.147 -11.694 218 HA CYS 27 HA CYS 27 -21.731 -25.039 -13.730 219 HB2 CYS 27 HB2 CYS 27 -20.458 -23.070 -12.839 220 HB3 CYS 27 HB3 CYS 27 -19.022 -23.637 -13.703 221 H SER 28 H SER 28 -21.816 -25.832 -15.766 222 HA SER 28 HA SER 28 -19.997 -27.976 -16.539 223 HB2 SER 28 HB2 SER 28 -21.690 -28.387 -18.298 224 HB3 SER 28 HB3 SER 28 -22.384 -28.302 -16.675 225 HG SER 28 HG SER 28 -23.607 -27.106 -18.206 226 H ARG 29 H ARG 29 -19.577 -24.750 -17.055 227 HA ARG 29 HA ARG 29 -18.385 -25.093 -19.799 228 HB2 ARG 29 HB2 ARG 29 -19.826 -22.746 -18.533 229 HB3 ARG 29 HB3 ARG 29 -19.000 -22.677 -20.078 230 HG2 ARG 29 HG2 ARG 29 -20.548 -24.212 -21.111 231 HG3 ARG 29 HG3 ARG 29 -21.319 -24.593 -19.564 232 HD2 ARG 29 HD2 ARG 29 -21.301 -21.856 -20.885 233 HD3 ARG 29 HD3 ARG 29 -22.653 -22.984 -20.925 234 HE ARG 29 HE ARG 29 -21.752 -21.364 -18.589 235 HH11 ARG 29 HH11 ARG 29 -24.642 -23.989 -17.917 236 HH12 ARG 29 HH12 ARG 29 -23.844 -24.058 -19.462 237 HH21 ARG 29 HH21 ARG 29 -23.935 -22.538 -16.363 238 HH22 ARG 29 HH22 ARG 29 -22.617 -21.456 -16.745 239 HA PRO 30 HA PRO 30 -14.712 -23.200 -17.913 240 HB2 PRO 30 HB2 PRO 30 -13.351 -22.434 -20.151 241 HB3 PRO 30 HB3 PRO 30 -13.523 -24.155 -19.690 242 HG2 PRO 30 HG2 PRO 30 -15.203 -22.587 -21.674 243 HG3 PRO 30 HG3 PRO 30 -14.410 -24.178 -21.914 244 HD2 PRO 30 HD2 PRO 30 -17.037 -23.987 -21.209 245 HD3 PRO 30 HD3 PRO 30 -15.996 -25.276 -20.557 246 H ASP 31 H ASP 31 -13.669 -20.971 -17.967 247 HA ASP 31 HA ASP 31 -15.533 -18.858 -17.694 248 HB2 ASP 31 HB2 ASP 31 -13.633 -17.410 -17.506 249 HB3 ASP 31 HB3 ASP 31 -13.280 -18.921 -16.665 250 H THR 32 H THR 32 -13.868 -19.968 -20.559 251 HA THR 32 HA THR 32 -14.368 -17.644 -22.199 252 HB THR 32 HB THR 32 -13.706 -19.266 -24.077 253 HG1 THR 32 HG1 THR 32 -12.737 -21.168 -23.353 254 HG21 THR 32 HG21 THR 32 -11.762 -18.908 -21.763 255 HG22 THR 32 HG22 THR 32 -11.347 -19.247 -23.458 256 HG23 THR 32 HG23 THR 32 -12.106 -17.708 -23.030 257 H GLU 33 H GLU 33 -16.541 -20.067 -21.190 258 HA GLU 33 HA GLU 33 -18.287 -19.663 -23.616 259 HB2 GLU 33 HB2 GLU 33 -17.530 -22.097 -22.034 260 HB3 GLU 33 HB3 GLU 33 -19.152 -22.034 -22.694 261 HG2 GLU 33 HG2 GLU 33 -18.252 -21.604 -24.945 262 HG3 GLU 33 HG3 GLU 33 -16.600 -21.691 -24.311 263 H CYS 34 H CYS 34 -18.289 -19.651 -20.064 264 HA CYS 34 HA CYS 34 -21.112 -19.926 -19.861 265 HB2 CYS 34 HB2 CYS 34 -19.282 -20.387 -18.144 266 HB3 CYS 34 HB3 CYS 34 -19.344 -18.660 -17.761 267 H LYS 35 H LYS 35 -22.509 -18.468 -18.768 268 HA LYS 35 HA LYS 35 -22.922 -15.971 -20.289 269 HB2 LYS 35 HB2 LYS 35 -24.595 -17.428 -18.197 270 HB3 LYS 35 HB3 LYS 35 -25.093 -15.944 -19.025 271 HG2 LYS 35 HG2 LYS 35 -24.846 -17.093 -21.226 272 HG3 LYS 35 HG3 LYS 35 -24.465 -18.606 -20.379 273 HD2 LYS 35 HD2 LYS 35 -26.676 -18.581 -19.289 274 HD3 LYS 35 HD3 LYS 35 -27.060 -17.028 -20.074 275 HE2 LYS 35 HE2 LYS 35 -26.748 -18.084 -22.298 276 HE3 LYS 35 HE3 LYS 35 -26.394 -19.630 -21.522 277 HZ1 LYS 35 HZ1 LYS 35 -28.979 -18.173 -21.309 278 HZ2 LYS 35 HZ2 LYS 35 -28.722 -19.505 -22.213 279 HZ3 LYS 35 HZ3 LYS 35 -28.651 -19.602 -20.586 280 H PHE 36 H PHE 36 -21.375 -16.728 -17.398 281 HA PHE 36 HA PHE 36 -21.322 -13.896 -16.496 282 HB2 PHE 36 HB2 PHE 36 -21.789 -16.278 -14.693 283 HB3 PHE 36 HB3 PHE 36 -21.639 -14.604 -14.174 284 HD1 PHE 36 HD1 PHE 36 -23.395 -12.914 -15.234 285 HD2 PHE 36 HD2 PHE 36 -23.947 -17.175 -14.902 286 HE1 PHE 36 HE1 PHE 36 -25.860 -12.599 -15.307 287 HE2 PHE 36 HE2 PHE 36 -26.411 -16.863 -14.992 288 HZ PHE 36 HZ PHE 36 -27.370 -14.574 -15.191 289 H ALA 37 H ALA 37 -19.559 -13.753 -14.633 290 HA ALA 37 HA ALA 37 -17.098 -14.755 -15.858 291 HB1 ALA 37 HB1 ALA 37 -17.313 -12.417 -15.151 292 HB2 ALA 37 HB2 ALA 37 -17.657 -12.936 -13.491 293 HB3 ALA 37 HB3 ALA 37 -16.057 -13.238 -14.213 294 H HIS 38 H HIS 38 -15.460 -15.900 -14.847 295 HA HIS 38 HA HIS 38 -16.148 -17.572 -12.467 296 HB2 HIS 38 HB2 HIS 38 -14.775 -18.365 -15.059 297 HB3 HIS 38 HB3 HIS 38 -14.758 -19.348 -13.602 298 HD1 HIS 38 HD1 HIS 38 -16.005 -20.616 -16.143 299 HD2 HIS 38 HD2 HIS 38 -18.137 -18.438 -13.252 300 HE1 HIS 38 HE1 HIS 38 -18.450 -21.315 -16.359 301 HA PRO 39 HA PRO 39 -12.359 -15.083 -11.517 302 HB2 PRO 39 HB2 PRO 39 -12.649 -15.183 -8.740 303 HB3 PRO 39 HB3 PRO 39 -13.357 -13.954 -9.817 304 HG2 PRO 39 HG2 PRO 39 -14.629 -16.458 -8.699 305 HG3 PRO 39 HG3 PRO 39 -15.333 -14.816 -8.795 306 HD2 PRO 39 HD2 PRO 39 -15.966 -16.718 -10.594 307 HD3 PRO 39 HD3 PRO 39 -15.732 -15.027 -11.123 308 H SER 40 H SER 40 -10.318 -15.618 -10.867 309 HA SER 40 HA SER 40 -9.674 -18.453 -10.376 310 HB2 SER 40 HB2 SER 40 -7.422 -17.832 -10.813 311 HB3 SER 40 HB3 SER 40 -8.401 -16.928 -11.989 312 HG SER 40 HG SER 40 -6.841 -15.597 -10.995 313 H LYS 41 H LYS 41 -7.570 -18.562 -8.902 314 HA LYS 41 HA LYS 41 -8.255 -18.221 -6.134 315 HB2 LYS 41 HB2 LYS 41 -5.637 -18.748 -7.607 316 HB3 LYS 41 HB3 LYS 41 -5.793 -18.842 -5.849 317 HG2 LYS 41 HG2 LYS 41 -7.275 -20.607 -7.851 318 HG3 LYS 41 HG3 LYS 41 -5.843 -21.052 -6.925 319 HD2 LYS 41 HD2 LYS 41 -7.130 -20.722 -4.802 320 HD3 LYS 41 HD3 LYS 41 -8.589 -20.397 -5.768 321 HE2 LYS 41 HE2 LYS 41 -8.388 -22.626 -6.831 322 HE3 LYS 41 HE3 LYS 41 -6.933 -22.955 -5.880 323 HZ1 LYS 41 HZ1 LYS 41 -8.292 -22.786 -3.863 324 HZ2 LYS 41 HZ2 LYS 41 -9.638 -22.482 -4.740 325 HZ3 LYS 41 HZ3 LYS 41 -8.900 -23.933 -4.849 326 H SER 42 H SER 42 -6.885 -15.940 -8.374 327 HA SER 42 HA SER 42 -5.978 -14.168 -6.122 328 HB2 SER 42 HB2 SER 42 -5.263 -13.992 -9.064 329 HB3 SER 42 HB3 SER 42 -4.673 -12.948 -7.760 330 HG SER 42 HG SER 42 -4.272 -15.772 -7.945 331 H CYS 43 H CYS 43 -8.426 -14.389 -8.659 332 HA CYS 43 HA CYS 43 -8.888 -11.637 -9.058 333 HB2 CYS 43 HB2 CYS 43 -10.770 -13.995 -9.296 334 HB3 CYS 43 HB3 CYS 43 -11.128 -12.357 -9.861 335 HG CYS 43 HG CYS 43 -8.454 -14.164 -10.694 336 H GLN 44 H GLN 44 -10.102 -10.100 -8.179 337 HA GLN 44 HA GLN 44 -10.975 -10.348 -5.393 338 HB2 GLN 44 HB2 GLN 44 -9.622 -8.486 -6.298 339 HB3 GLN 44 HB3 GLN 44 -10.962 -8.009 -7.350 340 HG2 GLN 44 HG2 GLN 44 -12.336 -7.450 -5.408 341 HG3 GLN 44 HG3 GLN 44 -11.103 -8.080 -4.304 342 HE21 GLN 44 HE21 GLN 44 -12.319 -5.187 -4.921 343 HE22 GLN 44 HE22 GLN 44 -10.831 -4.246 -5.002 344 H VAL 45 H VAL 45 -12.997 -10.656 -4.757 345 HA VAL 45 HA VAL 45 -15.306 -10.393 -6.660 346 HB VAL 45 HB VAL 45 -15.112 -12.382 -4.390 347 HG11 VAL 45 HG11 VAL 45 -16.976 -13.506 -5.580 348 HG12 VAL 45 HG12 VAL 45 -17.402 -11.863 -5.099 349 HG13 VAL 45 HG13 VAL 45 -16.975 -12.204 -6.788 350 HG21 VAL 45 HG21 VAL 45 -14.733 -14.188 -5.993 351 HG22 VAL 45 HG22 VAL 45 -14.538 -13.013 -7.300 352 HG23 VAL 45 HG23 VAL 45 -13.372 -13.070 -5.964 353 H GLU 46 H GLU 46 -17.005 -9.224 -5.949 354 HA GLU 46 HA GLU 46 -17.360 -8.582 -3.060 355 HB2 GLU 46 HB2 GLU 46 -17.012 -6.532 -5.290 356 HB3 GLU 46 HB3 GLU 46 -17.688 -6.170 -3.697 357 HG2 GLU 46 HG2 GLU 46 -15.580 -6.839 -2.609 358 HG3 GLU 46 HG3 GLU 46 -14.883 -7.266 -4.175 359 H ASN 47 H ASN 47 -19.427 -8.682 -2.505 360 HA ASN 47 HA ASN 47 -21.623 -9.178 -2.604 361 HB2 ASN 47 HB2 ASN 47 -21.286 -6.641 -2.634 362 HB3 ASN 47 HB3 ASN 47 -21.697 -6.709 -4.354 363 HD21 ASN 47 HD21 ASN 47 -23.611 -5.450 -4.111 364 HD22 ASN 47 HD22 ASN 47 -25.012 -6.076 -3.254 365 H GLY 48 H GLY 48 -20.425 -10.795 -4.612 366 HA2 GLY 48 HA2 GLY 48 -21.403 -12.382 -6.050 367 HA3 GLY 48 HA3 GLY 48 -22.829 -11.356 -6.230 368 H ARG 49 H ARG 49 -19.857 -9.712 -6.782 369 HA ARG 49 HA ARG 49 -19.857 -10.181 -9.717 370 HB2 ARG 49 HB2 ARG 49 -19.854 -7.380 -8.505 371 HB3 ARG 49 HB3 ARG 49 -19.844 -7.840 -10.208 372 HG2 ARG 49 HG2 ARG 49 -22.101 -8.929 -9.860 373 HG3 ARG 49 HG3 ARG 49 -22.137 -8.217 -8.243 374 HD2 ARG 49 HD2 ARG 49 -22.093 -5.982 -9.147 375 HD3 ARG 49 HD3 ARG 49 -21.788 -6.592 -10.789 376 HE ARG 49 HE ARG 49 -24.132 -7.843 -10.212 377 HH11 ARG 49 HH11 ARG 49 -26.543 -5.573 -10.767 378 HH12 ARG 49 HH12 ARG 49 -26.040 -7.264 -10.724 379 HH21 ARG 49 HH21 ARG 49 -25.009 -3.974 -10.376 380 HH22 ARG 49 HH22 ARG 49 -23.367 -4.419 -9.996 381 H VAL 50 H VAL 50 -18.020 -9.246 -10.760 382 HA VAL 50 HA VAL 50 -15.494 -9.096 -9.169 383 HB VAL 50 HB VAL 50 -14.466 -10.530 -10.975 384 HG11 VAL 50 HG11 VAL 50 -16.410 -11.782 -9.026 385 HG12 VAL 50 HG12 VAL 50 -15.170 -12.678 -9.918 386 HG13 VAL 50 HG13 VAL 50 -14.694 -11.406 -8.789 387 HG21 VAL 50 HG21 VAL 50 -16.272 -10.625 -12.655 388 HG22 VAL 50 HG22 VAL 50 -15.860 -12.244 -12.061 389 HG23 VAL 50 HG23 VAL 50 -17.332 -11.452 -11.497 390 H ILE 51 H ILE 51 -13.942 -7.726 -10.154 391 HA ILE 51 HA ILE 51 -15.029 -6.021 -12.333 392 HB ILE 51 HB ILE 51 -12.615 -5.627 -10.541 393 HG12 ILE 51 HG12 ILE 51 -15.455 -4.567 -10.528 394 HG13 ILE 51 HG13 ILE 51 -14.671 -5.554 -9.292 395 HG21 ILE 51 HG21 ILE 51 -12.588 -3.331 -11.472 396 HG22 ILE 51 HG22 ILE 51 -12.354 -4.492 -12.759 397 HG23 ILE 51 HG23 ILE 51 -13.949 -3.736 -12.548 398 HD11 ILE 51 HD11 ILE 51 -14.111 -2.638 -9.895 399 HD12 ILE 51 HD12 ILE 51 -14.895 -3.335 -8.474 400 HD13 ILE 51 HD13 ILE 51 -13.164 -3.641 -8.759 401 H ALA 52 H ALA 52 -14.431 -6.160 -14.385 402 HA ALA 52 HA ALA 52 -12.526 -8.144 -15.275 403 HB1 ALA 52 HB1 ALA 52 -14.125 -6.037 -16.771 404 HB2 ALA 52 HB2 ALA 52 -13.152 -7.314 -17.529 405 HB3 ALA 52 HB3 ALA 52 -14.557 -7.737 -16.533 406 H CYS 53 H CYS 53 -10.613 -7.855 -16.373 407 HA CYS 53 HA CYS 53 -8.872 -5.887 -15.274 408 HB2 CYS 53 HB2 CYS 53 -8.407 -8.298 -15.771 409 HB3 CYS 53 HB3 CYS 53 -8.395 -7.888 -17.488 410 H PHE 54 H PHE 54 -9.278 -3.841 -15.857 411 HA PHE 54 HA PHE 54 -9.736 -2.834 -18.500 412 HB2 PHE 54 HB2 PHE 54 -8.933 -0.659 -17.528 413 HB3 PHE 54 HB3 PHE 54 -10.257 -1.406 -16.666 414 HD1 PHE 54 HD1 PHE 54 -6.665 -0.545 -16.503 415 HD2 PHE 54 HD2 PHE 54 -10.007 -2.287 -14.399 416 HE1 PHE 54 HE1 PHE 54 -5.352 -0.522 -14.412 417 HE2 PHE 54 HE2 PHE 54 -8.707 -2.231 -12.291 418 HZ PHE 54 HZ PHE 54 -6.373 -1.351 -12.285 419 H ASP 55 H ASP 55 -6.726 -3.545 -16.713 420 HA ASP 55 HA ASP 55 -4.902 -2.373 -18.586 421 HB2 ASP 55 HB2 ASP 55 -4.572 -4.683 -16.645 422 HB3 ASP 55 HB3 ASP 55 -3.263 -4.001 -17.597 423 H SER 56 H SER 56 -6.461 -5.638 -18.550 424 HA SER 56 HA SER 56 -4.896 -6.636 -20.750 425 HB2 SER 56 HB2 SER 56 -6.370 -8.461 -20.849 426 HB3 SER 56 HB3 SER 56 -6.220 -8.049 -19.144 427 HG SER 56 HG SER 56 -8.252 -6.899 -19.387 428 H LEU 57 H LEU 57 -7.974 -4.858 -20.618 429 HA LEU 57 HA LEU 57 -8.518 -4.981 -23.462 430 HB2 LEU 57 HB2 LEU 57 -9.537 -3.302 -21.141 431 HB3 LEU 57 HB3 LEU 57 -10.068 -2.981 -22.785 432 HG LEU 57 HG LEU 57 -10.376 -5.720 -21.494 433 HD11 LEU 57 HD11 LEU 57 -12.363 -3.409 -21.631 434 HD12 LEU 57 HD12 LEU 57 -12.733 -5.057 -21.079 435 HD13 LEU 57 HD13 LEU 57 -11.600 -4.057 -20.161 436 HD21 LEU 57 HD21 LEU 57 -11.730 -4.406 -23.889 437 HD22 LEU 57 HD22 LEU 57 -10.539 -5.723 -23.954 438 HD23 LEU 57 HD23 LEU 57 -12.124 -6.005 -23.224 439 H LYS 58 H LYS 58 -6.989 -2.514 -21.362 440 HA LYS 58 HA LYS 58 -6.524 -0.636 -23.553 441 HB2 LYS 58 HB2 LYS 58 -5.460 -0.745 -20.699 442 HB3 LYS 58 HB3 LYS 58 -5.186 0.590 -21.803 443 HG2 LYS 58 HG2 LYS 58 -7.891 -0.305 -20.717 444 HG3 LYS 58 HG3 LYS 58 -6.970 1.098 -20.210 445 HD2 LYS 58 HD2 LYS 58 -8.305 0.670 -22.914 446 HD3 LYS 58 HD3 LYS 58 -8.847 1.731 -21.611 447 HE2 LYS 58 HE2 LYS 58 -6.748 3.067 -21.827 448 HE3 LYS 58 HE3 LYS 58 -6.228 2.028 -23.160 449 HZ1 LYS 58 HZ1 LYS 58 -8.672 3.719 -23.175 450 HZ2 LYS 58 HZ2 LYS 58 -7.293 4.045 -23.982 451 HZ3 LYS 58 HZ3 LYS 58 -8.195 2.755 -24.407 452 H GLY 59 H GLY 59 -4.804 -3.432 -22.551 453 HA2 GLY 59 HA2 GLY 59 -3.033 -4.415 -23.717 454 HA3 GLY 59 HA3 GLY 59 -2.704 -2.900 -24.555 455 H ARG 60 H ARG 60 -2.855 -3.582 -21.054 456 HA ARG 60 HA ARG 60 0.040 -2.856 -20.742 457 HB2 ARG 60 HB2 ARG 60 -1.603 -1.016 -20.201 458 HB3 ARG 60 HB3 ARG 60 -2.294 -2.031 -18.950 459 HG2 ARG 60 HG2 ARG 60 -0.763 -0.320 -18.058 460 HG3 ARG 60 HG3 ARG 60 -0.257 -1.948 -17.642 461 HD2 ARG 60 HD2 ARG 60 1.656 -0.543 -18.233 462 HD3 ARG 60 HD3 ARG 60 1.495 -1.895 -19.358 463 HE ARG 60 HE ARG 60 0.137 0.486 -20.323 464 HH11 ARG 60 HH11 ARG 60 3.931 0.017 -21.478 465 HH12 ARG 60 HH12 ARG 60 3.355 -0.884 -20.102 466 HH21 ARG 60 HH21 ARG 60 2.593 1.387 -22.556 467 HH22 ARG 60 HH22 ARG 60 0.934 1.594 -22.078 468 H CYS 61 H CYS 61 -2.488 -5.082 -19.700 469 HA CYS 61 HA CYS 61 -1.318 -5.871 -17.266 470 HB2 CYS 61 HB2 CYS 61 -3.660 -6.329 -18.083 471 HB3 CYS 61 HB3 CYS 61 -3.009 -7.662 -19.044 472 H SER 62 H SER 62 0.264 -7.080 -16.683 473 HA SER 62 HA SER 62 1.598 -9.095 -18.420 474 HB2 SER 62 HB2 SER 62 3.098 -6.868 -16.971 475 HB3 SER 62 HB3 SER 62 3.820 -8.187 -17.905 476 HG SER 62 HG SER 62 2.176 -6.079 -18.886 477 H ARG 63 H ARG 63 -0.005 -8.770 -15.719 478 HA ARG 63 HA ARG 63 1.751 -9.701 -13.597 479 HB2 ARG 63 HB2 ARG 63 -1.272 -9.464 -13.933 480 HB3 ARG 63 HB3 ARG 63 -0.516 -9.992 -12.430 481 HG2 ARG 63 HG2 ARG 63 0.679 -7.871 -12.212 482 HG3 ARG 63 HG3 ARG 63 -0.012 -7.278 -13.730 483 HD2 ARG 63 HD2 ARG 63 -1.684 -8.174 -11.343 484 HD3 ARG 63 HD3 ARG 63 -1.164 -6.508 -11.580 485 HE ARG 63 HE ARG 63 -3.147 -8.002 -13.272 486 HH11 ARG 63 HH11 ARG 63 -4.294 -5.231 -14.779 487 HH12 ARG 63 HH12 ARG 63 -4.388 -6.982 -14.632 488 HH21 ARG 63 HH21 ARG 63 -2.870 -4.102 -13.768 489 HH22 ARG 63 HH22 ARG 63 -1.655 -4.824 -12.705 490 H GLU 64 H GLU 64 1.346 -11.566 -12.324 491 HA GLU 64 HA GLU 64 0.516 -14.046 -13.798 492 HB2 GLU 64 HB2 GLU 64 2.790 -13.703 -11.804 493 HB3 GLU 64 HB3 GLU 64 2.245 -15.241 -12.484 494 HG2 GLU 64 HG2 GLU 64 2.779 -14.402 -14.776 495 HG3 GLU 64 HG3 GLU 64 3.429 -12.922 -14.067 496 H ASN 65 H ASN 65 -0.345 -12.023 -11.389 497 HA ASN 65 HA ASN 65 -2.097 -13.963 -10.010 498 HB2 ASN 65 HB2 ASN 65 0.022 -12.185 -8.734 499 HB3 ASN 65 HB3 ASN 65 -1.413 -12.665 -7.831 500 HD21 ASN 65 HD21 ASN 65 -1.928 -15.031 -7.704 501 HD22 ASN 65 HD22 ASN 65 -0.538 -16.105 -7.541 502 H CYS 66 H CYS 66 -2.618 -12.103 -12.100 503 HA CYS 66 HA CYS 66 -3.488 -9.568 -11.373 504 HB2 CYS 66 HB2 CYS 66 -3.179 -10.629 -13.673 505 HB3 CYS 66 HB3 CYS 66 -4.768 -11.376 -13.459 506 H LYS 67 H LYS 67 -5.137 -8.768 -10.266 507 HA LYS 67 HA LYS 67 -7.006 -10.574 -8.904 508 HB2 LYS 67 HB2 LYS 67 -6.995 -7.571 -8.599 509 HB3 LYS 67 HB3 LYS 67 -7.554 -8.815 -7.473 510 HG2 LYS 67 HG2 LYS 67 -5.127 -9.611 -7.360 511 HG3 LYS 67 HG3 LYS 67 -4.691 -8.105 -8.185 512 HD2 LYS 67 HD2 LYS 67 -6.231 -8.246 -5.538 513 HD3 LYS 67 HD3 LYS 67 -4.484 -8.139 -5.664 514 HE2 LYS 67 HE2 LYS 67 -5.168 -5.943 -5.233 515 HE3 LYS 67 HE3 LYS 67 -4.729 -5.975 -6.939 516 HZ1 LYS 67 HZ1 LYS 67 -7.120 -6.059 -7.464 517 HZ2 LYS 67 HZ2 LYS 67 -7.528 -6.057 -5.879 518 HZ3 LYS 67 HZ3 LYS 67 -6.799 -4.763 -6.548 519 H TYR 68 H TYR 68 -7.175 -9.322 -11.873 520 HA TYR 68 HA TYR 68 -10.109 -8.759 -11.749 521 HB2 TYR 68 HB2 TYR 68 -8.003 -7.497 -13.522 522 HB3 TYR 68 HB3 TYR 68 -9.716 -7.103 -13.462 523 HD1 TYR 68 HD1 TYR 68 -6.453 -6.683 -11.800 524 HD2 TYR 68 HD2 TYR 68 -10.687 -5.920 -11.505 525 HE1 TYR 68 HE1 TYR 68 -6.033 -5.050 -9.966 526 HE2 TYR 68 HE2 TYR 68 -10.271 -4.298 -9.660 527 HH TYR 68 HH TYR 68 -8.691 -3.289 -8.332 528 H LEU 69 H LEU 69 -11.374 -9.298 -13.527 529 HA LEU 69 HA LEU 69 -10.665 -11.885 -14.673 530 HB2 LEU 69 HB2 LEU 69 -13.121 -10.130 -14.558 531 HB3 LEU 69 HB3 LEU 69 -13.055 -11.366 -15.793 532 HG LEU 69 HG LEU 69 -14.241 -12.002 -13.720 533 HD11 LEU 69 HD11 LEU 69 -13.351 -13.700 -15.284 534 HD12 LEU 69 HD12 LEU 69 -11.830 -13.751 -14.370 535 HD13 LEU 69 HD13 LEU 69 -13.346 -14.270 -13.608 536 HD21 LEU 69 HD21 LEU 69 -11.506 -12.252 -12.451 537 HD22 LEU 69 HD22 LEU 69 -12.634 -10.945 -12.095 538 HD23 LEU 69 HD23 LEU 69 -13.074 -12.625 -11.714 539 H HIS 70 H HIS 70 -9.531 -12.155 -16.513 540 HA HIS 70 HA HIS 70 -9.224 -10.082 -18.518 541 HB2 HIS 70 HB2 HIS 70 -8.559 -13.038 -18.625 542 HB3 HIS 70 HB3 HIS 70 -8.098 -11.839 -19.835 543 HD1 HIS 70 HD1 HIS 70 -6.065 -13.535 -17.717 544 HD2 HIS 70 HD2 HIS 70 -7.223 -9.506 -17.729 545 HE1 HIS 70 HE1 HIS 70 -4.318 -12.265 -16.350 546 HA PRO 71 HA PRO 71 -13.427 -10.607 -20.077 547 HB2 PRO 71 HB2 PRO 71 -12.103 -9.263 -22.430 548 HB3 PRO 71 HB3 PRO 71 -13.742 -9.008 -21.759 549 HG2 PRO 71 HG2 PRO 71 -11.796 -7.337 -21.062 550 HG3 PRO 71 HG3 PRO 71 -12.796 -8.034 -19.747 551 HD2 PRO 71 HD2 PRO 71 -10.081 -8.956 -20.729 552 HD3 PRO 71 HD3 PRO 71 -10.615 -8.634 -19.059 553 HA PRO 72 HA PRO 72 -12.708 -14.270 -22.664 554 HB2 PRO 72 HB2 PRO 72 -15.040 -15.616 -22.175 555 HB3 PRO 72 HB3 PRO 72 -13.687 -15.565 -20.991 556 HG2 PRO 72 HG2 PRO 72 -16.212 -13.931 -21.072 557 HG3 PRO 72 HG3 PRO 72 -15.452 -14.714 -19.654 558 HD2 PRO 72 HD2 PRO 72 -15.139 -12.043 -20.267 559 HD3 PRO 72 HD3 PRO 72 -13.901 -12.998 -19.407 560 HA PRO 73 HA PRO 73 -14.606 -12.893 -26.334 561 HB2 PRO 73 HB2 PRO 73 -15.276 -15.220 -27.734 562 HB3 PRO 73 HB3 PRO 73 -13.642 -14.506 -27.592 563 HG2 PRO 73 HG2 PRO 73 -14.857 -16.726 -25.935 564 HG3 PRO 73 HG3 PRO 73 -13.231 -16.660 -26.687 565 HD2 PRO 73 HD2 PRO 73 -13.570 -16.083 -24.079 566 HD3 PRO 73 HD3 PRO 73 -12.456 -15.094 -25.072 567 H HIS 74 H HIS 74 -16.625 -15.202 -24.536 568 HA HIS 74 HA HIS 74 -19.093 -14.327 -25.876 569 HB2 HIS 74 HB2 HIS 74 -18.529 -16.259 -23.589 570 HB3 HIS 74 HB3 HIS 74 -20.157 -15.838 -24.103 571 HD1 HIS 74 HD1 HIS 74 -17.263 -18.031 -25.189 572 HD2 HIS 74 HD2 HIS 74 -20.920 -16.500 -26.652 573 HE1 HIS 74 HE1 HIS 74 -17.831 -19.392 -27.305 574 HE2 HIS 74 HE2 HIS 74 -20.070 -18.462 -28.181 575 H LEU 75 H LEU 75 -17.288 -12.920 -23.353 576 HA LEU 75 HA LEU 75 -19.713 -11.384 -22.468 577 HB2 LEU 75 HB2 LEU 75 -17.227 -11.960 -20.851 578 HB3 LEU 75 HB3 LEU 75 -18.590 -10.995 -20.322 579 HG LEU 75 HG LEU 75 -18.756 -13.956 -21.040 580 HD11 LEU 75 HD11 LEU 75 -19.059 -12.870 -18.248 581 HD12 LEU 75 HD12 LEU 75 -18.737 -14.516 -18.807 582 HD13 LEU 75 HD13 LEU 75 -17.452 -13.297 -18.902 583 HD21 LEU 75 HD21 LEU 75 -20.772 -12.040 -19.775 584 HD22 LEU 75 HD22 LEU 75 -20.914 -12.820 -21.362 585 HD23 LEU 75 HD23 LEU 75 -20.974 -13.806 -19.904 586 H LYS 76 H LYS 76 -16.619 -11.096 -24.006 587 HA LYS 76 HA LYS 76 -16.026 -8.350 -23.556 588 HB2 LYS 76 HB2 LYS 76 -15.637 -10.261 -25.875 589 HB3 LYS 76 HB3 LYS 76 -15.241 -8.550 -26.068 590 HG2 LYS 76 HG2 LYS 76 -13.634 -8.579 -24.298 591 HG3 LYS 76 HG3 LYS 76 -14.118 -10.206 -23.778 592 HD2 LYS 76 HD2 LYS 76 -13.154 -11.264 -25.601 593 HD3 LYS 76 HD3 LYS 76 -13.148 -9.796 -26.612 594 HE2 LYS 76 HE2 LYS 76 -11.396 -8.821 -25.144 595 HE3 LYS 76 HE3 LYS 76 -11.380 -10.314 -24.196 596 HZ1 LYS 76 HZ1 LYS 76 -9.617 -10.309 -25.863 597 HZ2 LYS 76 HZ2 LYS 76 -10.671 -11.511 -26.185 598 HZ3 LYS 76 HZ3 LYS 76 -10.691 -10.140 -27.079 599 H THR 77 H THR 77 -18.536 -9.787 -25.640 600 HA THR 77 HA THR 77 -19.369 -7.389 -26.957 601 HB THR 77 HB THR 77 -21.091 -9.778 -26.205 602 HG1 THR 77 HG1 THR 77 -20.430 -10.583 -28.215 603 HG21 THR 77 HG21 THR 77 -22.285 -9.202 -28.307 604 HG22 THR 77 HG22 THR 77 -22.376 -7.885 -27.130 605 HG23 THR 77 HG23 THR 77 -21.245 -7.768 -28.496 606 H GLN 78 H GLN 78 -20.471 -8.925 -23.890 607 HA GLN 78 HA GLN 78 -22.499 -6.950 -23.295 608 HB2 GLN 78 HB2 GLN 78 -20.977 -8.872 -21.468 609 HB3 GLN 78 HB3 GLN 78 -22.408 -7.951 -21.013 610 HG2 GLN 78 HG2 GLN 78 -22.256 -10.141 -23.129 611 HG3 GLN 78 HG3 GLN 78 -22.987 -10.275 -21.539 612 HE21 GLN 78 HE21 GLN 78 -24.128 -10.493 -24.412 613 HE22 GLN 78 HE22 GLN 78 -25.518 -9.420 -24.343 614 H LEU 79 H LEU 79 -19.093 -7.363 -22.294 615 HA LEU 79 HA LEU 79 -18.934 -5.062 -20.606 616 HB2 LEU 79 HB2 LEU 79 -16.830 -6.539 -22.234 617 HB3 LEU 79 HB3 LEU 79 -16.442 -5.262 -21.085 618 HG LEU 79 HG LEU 79 -17.934 -7.805 -20.312 619 HD11 LEU 79 HD11 LEU 79 -15.754 -8.405 -21.095 620 HD12 LEU 79 HD12 LEU 79 -14.986 -7.129 -20.109 621 HD13 LEU 79 HD13 LEU 79 -15.772 -8.524 -19.331 622 HD21 LEU 79 HD21 LEU 79 -17.211 -7.146 -18.003 623 HD22 LEU 79 HD22 LEU 79 -16.531 -5.652 -18.665 624 HD23 LEU 79 HD23 LEU 79 -18.284 -5.943 -18.717 625 H GLU 80 H GLU 80 -18.199 -5.305 -24.173 626 HA GLU 80 HA GLU 80 -17.545 -2.494 -24.267 627 HB2 GLU 80 HB2 GLU 80 -17.462 -2.570 -26.565 628 HB3 GLU 80 HB3 GLU 80 -16.790 -4.094 -26.003 629 HG2 GLU 80 HG2 GLU 80 -18.780 -5.291 -26.700 630 HG3 GLU 80 HG3 GLU 80 -19.644 -3.791 -27.047 631 H ILE 81 H ILE 81 -20.674 -4.179 -24.601 632 HA ILE 81 HA ILE 81 -22.177 -1.852 -25.424 633 HB ILE 81 HB ILE 81 -22.936 -4.457 -24.067 634 HG12 ILE 81 HG12 ILE 81 -23.644 -3.306 -26.807 635 HG13 ILE 81 HG13 ILE 81 -22.238 -4.320 -26.525 636 HG21 ILE 81 HG21 ILE 81 -24.833 -2.202 -24.878 637 HG22 ILE 81 HG22 ILE 81 -25.328 -3.838 -24.400 638 HG23 ILE 81 HG23 ILE 81 -24.554 -2.797 -23.223 639 HD11 ILE 81 HD11 ILE 81 -25.144 -5.160 -26.205 640 HD12 ILE 81 HD12 ILE 81 -23.970 -5.717 -27.405 641 HD13 ILE 81 HD13 ILE 81 -23.755 -6.153 -25.698 642 H ASN 82 H ASN 82 -21.332 -3.142 -22.178 643 HA ASN 82 HA ASN 82 -22.676 -1.086 -20.671 644 HB2 ASN 82 HB2 ASN 82 -20.172 -2.705 -20.007 645 HB3 ASN 82 HB3 ASN 82 -21.051 -1.692 -18.869 646 HD21 ASN 82 HD21 ASN 82 -20.559 -4.174 -18.147 647 HD22 ASN 82 HD22 ASN 82 -22.049 -5.121 -18.190 648 H GLY 83 H GLY 83 -19.345 -1.292 -21.995 649 HA2 GLY 83 HA2 GLY 83 -18.311 1.154 -20.976 650 HA3 GLY 83 HA3 GLY 83 -17.739 0.292 -22.409 651 H ARG 84 H ARG 84 -19.805 0.484 -24.193 652 HA ARG 84 HA ARG 84 -19.633 3.099 -25.293 653 HB2 ARG 84 HB2 ARG 84 -21.610 0.819 -25.706 654 HB3 ARG 84 HB3 ARG 84 -21.649 2.292 -26.678 655 HG2 ARG 84 HG2 ARG 84 -19.476 1.890 -27.606 656 HG3 ARG 84 HG3 ARG 84 -19.143 0.572 -26.483 657 HD2 ARG 84 HD2 ARG 84 -21.055 -0.718 -27.441 658 HD3 ARG 84 HD3 ARG 84 -21.321 0.563 -28.625 659 HE ARG 84 HE ARG 84 -19.265 -1.524 -28.666 660 HH11 ARG 84 HH11 ARG 84 -17.763 -0.567 -31.515 661 HH12 ARG 84 HH12 ARG 84 -18.033 -1.807 -30.285 662 HH21 ARG 84 HH21 ARG 84 -18.851 1.389 -31.336 663 HH22 ARG 84 HH22 ARG 84 -19.927 1.670 -29.993 664 H ASN 85 H ASN 85 -21.915 1.880 -22.936 665 HA ASN 85 HA ASN 85 -23.687 4.237 -23.132 666 HB2 ASN 85 HB2 ASN 85 -23.721 1.625 -21.574 667 HB3 ASN 85 HB3 ASN 85 -24.802 2.948 -21.160 668 HD21 ASN 85 HD21 ASN 85 -24.145 0.472 -23.574 669 HD22 ASN 85 HD22 ASN 85 -25.619 0.789 -24.489 670 H ASN 86 H ASN 86 -20.707 3.857 -21.693 671 HA ASN 86 HA ASN 86 -21.332 5.903 -19.584 672 HB2 ASN 86 HB2 ASN 86 -19.643 3.373 -19.358 673 HB3 ASN 86 HB3 ASN 86 -19.511 4.720 -18.234 674 HD21 ASN 86 HD21 ASN 86 -21.525 2.004 -19.202 675 HD22 ASN 86 HD22 ASN 86 -22.668 2.204 -17.877 676 H LEU 87 H LEU 87 -18.957 4.715 -21.931 677 HA LEU 87 HA LEU 87 -16.927 6.711 -21.348 678 HB2 LEU 87 HB2 LEU 87 -17.337 4.701 -23.600 679 HB3 LEU 87 HB3 LEU 87 -15.890 5.684 -23.424 680 HG LEU 87 HG LEU 87 -16.807 3.714 -21.284 681 HD11 LEU 87 HD11 LEU 87 -16.274 2.564 -23.410 682 HD12 LEU 87 HD12 LEU 87 -14.696 3.380 -23.453 683 HD13 LEU 87 HD13 LEU 87 -15.074 2.229 -22.150 684 HD21 LEU 87 HD21 LEU 87 -14.195 5.222 -21.754 685 HD22 LEU 87 HD22 LEU 87 -15.333 5.462 -20.406 686 HD23 LEU 87 HD23 LEU 87 -14.437 3.948 -20.546 687 H ILE 88 H ILE 88 -19.119 8.193 -21.639 688 HA ILE 88 HA ILE 88 -18.721 9.657 -24.197 689 HB ILE 88 HB ILE 88 -21.270 10.120 -24.093 690 HG12 ILE 88 HG12 ILE 88 -22.658 8.232 -23.429 691 HG13 ILE 88 HG13 ILE 88 -21.274 7.384 -22.752 692 HG21 ILE 88 HG21 ILE 88 -21.665 8.252 -25.611 693 HG22 ILE 88 HG22 ILE 88 -20.069 8.953 -25.904 694 HG23 ILE 88 HG23 ILE 88 -20.216 7.419 -25.018 695 HD11 ILE 88 HD11 ILE 88 -22.325 10.054 -21.716 696 HD12 ILE 88 HD12 ILE 88 -22.772 8.466 -21.056 697 HD13 ILE 88 HD13 ILE 88 -21.097 9.014 -20.947 698 H GLN 89 H GLN 89 -19.395 11.844 -24.244 699 HA GLN 89 HA GLN 89 -18.543 13.298 -21.906 700 HB2 GLN 89 HB2 GLN 89 -18.088 14.017 -24.232 701 HB3 GLN 89 HB3 GLN 89 -19.815 14.240 -24.515 702 HG2 GLN 89 HG2 GLN 89 -18.696 16.378 -24.142 703 HG3 GLN 89 HG3 GLN 89 -19.878 16.083 -22.881 704 HE21 GLN 89 HE21 GLN 89 -16.513 16.748 -23.525 705 HE22 GLN 89 HE22 GLN 89 -15.984 16.619 -21.852 706 H GLN 90 H GLN 90 -19.719 14.577 -20.500 707 HA GLN 90 HA GLN 90 -22.535 13.795 -20.082 708 HB2 GLN 90 HB2 GLN 90 -20.692 15.574 -18.432 709 HB3 GLN 90 HB3 GLN 90 -22.269 14.955 -17.936 710 HG2 GLN 90 HG2 GLN 90 -19.755 13.300 -18.473 711 HG3 GLN 90 HG3 GLN 90 -20.478 13.641 -16.912 712 HE21 GLN 90 HE21 GLN 90 -20.477 11.390 -19.575 713 HE22 GLN 90 HE22 GLN 90 -21.869 10.483 -19.012 714 H LYS 91 H LYS 91 -24.280 15.194 -19.966 715 HA LYS 91 HA LYS 91 -24.074 18.035 -20.705 716 HB2 LYS 91 HB2 LYS 91 -25.477 17.842 -22.696 717 HB3 LYS 91 HB3 LYS 91 -23.996 16.923 -22.909 718 HG2 LYS 91 HG2 LYS 91 -25.162 14.814 -22.467 719 HG3 LYS 91 HG3 LYS 91 -26.665 15.659 -22.104 720 HD2 LYS 91 HD2 LYS 91 -25.235 15.706 -24.791 721 HD3 LYS 91 HD3 LYS 91 -26.571 14.634 -24.393 722 HE2 LYS 91 HE2 LYS 91 -26.735 17.687 -24.422 723 HE3 LYS 91 HE3 LYS 91 -27.224 16.630 -25.744 724 HZ1 LYS 91 HZ1 LYS 91 -28.863 15.612 -24.226 725 HZ2 LYS 91 HZ2 LYS 91 -28.481 16.681 -23.042 726 HZ3 LYS 91 HZ3 LYS 91 -29.140 17.203 -24.434 727 H ASN 92 H ASN 92 -26.279 19.030 -20.906 728 HA ASN 92 HA ASN 92 -27.878 18.549 -18.571 729 HB2 ASN 92 HB2 ASN 92 -27.601 20.759 -19.681 730 HB3 ASN 92 HB3 ASN 92 -28.454 20.155 -21.106 731 HD21 ASN 92 HD21 ASN 92 -29.734 22.202 -20.500 732 HD22 ASN 92 HD22 ASN 92 -31.086 21.945 -19.404 Start of MODEL 5 1 H MET 1 H MET 1 3.056 3.133 -23.121 2 HA MET 1 HA MET 1 1.800 3.148 -21.109 3 HB2 MET 1 HB2 MET 1 0.416 1.077 -21.141 4 HB3 MET 1 HB3 MET 1 0.607 1.861 -22.698 5 HG2 MET 1 HG2 MET 1 0.707 -0.492 -23.021 6 HG3 MET 1 HG3 MET 1 2.287 0.183 -23.374 7 HE1 MET 1 HE1 MET 1 3.293 -2.256 -23.447 8 HE2 MET 1 HE2 MET 1 3.092 -3.449 -22.145 9 HE3 MET 1 HE3 MET 1 1.683 -2.921 -23.091 10 H ALA 2 H ALA 2 4.560 1.206 -20.964 11 HA ALA 2 HA ALA 2 4.160 -0.006 -18.349 12 HB1 ALA 2 HB1 ALA 2 5.488 -1.061 -20.146 13 HB2 ALA 2 HB2 ALA 2 6.644 0.290 -20.098 14 HB3 ALA 2 HB3 ALA 2 6.470 -0.790 -18.697 15 H VAL 3 H VAL 3 3.587 2.604 -17.989 16 HA VAL 3 HA VAL 3 5.662 3.606 -16.130 17 HB VAL 3 HB VAL 3 6.088 4.587 -18.392 18 HG11 VAL 3 HG11 VAL 3 3.762 4.755 -19.223 19 HG12 VAL 3 HG12 VAL 3 3.435 6.040 -18.039 20 HG13 VAL 3 HG13 VAL 3 4.629 6.293 -19.325 21 HG21 VAL 3 HG21 VAL 3 6.738 5.789 -16.301 22 HG22 VAL 3 HG22 VAL 3 6.483 6.817 -17.718 23 HG23 VAL 3 HG23 VAL 3 5.250 6.762 -16.456 24 H SER 4 H SER 4 4.801 5.429 -14.789 25 HA SER 4 HA SER 4 2.253 4.818 -13.625 26 HB2 SER 4 HB2 SER 4 3.990 7.306 -13.333 27 HB3 SER 4 HB3 SER 4 2.670 6.815 -12.252 28 HG SER 4 HG SER 4 4.741 6.178 -11.461 29 H VAL 5 H VAL 5 0.280 5.735 -13.867 30 HA VAL 5 HA VAL 5 -0.167 8.155 -15.533 31 HB VAL 5 HB VAL 5 -1.628 5.510 -15.987 32 HG11 VAL 5 HG11 VAL 5 -3.139 7.381 -16.425 33 HG12 VAL 5 HG12 VAL 5 -1.890 8.209 -17.390 34 HG13 VAL 5 HG13 VAL 5 -2.626 6.696 -17.956 35 HG21 VAL 5 HG21 VAL 5 -0.643 5.570 -18.272 36 HG22 VAL 5 HG22 VAL 5 0.353 6.963 -17.794 37 HG23 VAL 5 HG23 VAL 5 0.584 5.375 -17.030 38 H THR 6 H THR 6 -2.200 9.191 -15.032 39 HA THR 6 HA THR 6 -2.976 9.135 -12.313 40 HB THR 6 HB THR 6 -4.980 10.505 -13.171 41 HG1 THR 6 HG1 THR 6 -5.038 9.756 -15.296 42 HG21 THR 6 HG21 THR 6 -2.904 11.549 -12.346 43 HG22 THR 6 HG22 THR 6 -2.175 11.402 -13.962 44 HG23 THR 6 HG23 THR 6 -3.589 12.449 -13.710 45 HA PRO 7 HA PRO 7 -5.863 5.885 -11.695 46 HB2 PRO 7 HB2 PRO 7 -7.797 7.976 -10.680 47 HB3 PRO 7 HB3 PRO 7 -7.368 6.393 -9.957 48 HG2 PRO 7 HG2 PRO 7 -6.256 8.665 -8.998 49 HG3 PRO 7 HG3 PRO 7 -5.233 7.215 -9.258 50 HD2 PRO 7 HD2 PRO 7 -5.518 9.654 -11.019 51 HD3 PRO 7 HD3 PRO 7 -4.045 8.755 -10.547 52 H ILE 8 H ILE 8 -7.470 4.785 -12.726 53 HA ILE 8 HA ILE 8 -8.488 5.723 -15.216 54 HB ILE 8 HB ILE 8 -9.819 3.633 -15.237 55 HG12 ILE 8 HG12 ILE 8 -8.656 3.158 -12.451 56 HG13 ILE 8 HG13 ILE 8 -10.356 3.433 -12.838 57 HG21 ILE 8 HG21 ILE 8 -6.921 3.190 -14.405 58 HG22 ILE 8 HG22 ILE 8 -7.902 2.190 -15.496 59 HG23 ILE 8 HG23 ILE 8 -7.430 3.814 -15.989 60 HD11 ILE 8 HD11 ILE 8 -10.371 1.330 -14.181 61 HD12 ILE 8 HD12 ILE 8 -8.683 1.042 -13.687 62 HD13 ILE 8 HD13 ILE 8 -9.956 1.073 -12.470 63 H ARG 9 H ARG 9 -10.564 6.137 -15.946 64 HA ARG 9 HA ARG 9 -12.054 7.997 -14.427 65 HB2 ARG 9 HB2 ARG 9 -11.880 7.910 -16.890 66 HB3 ARG 9 HB3 ARG 9 -12.869 6.446 -16.923 67 HG2 ARG 9 HG2 ARG 9 -14.800 7.689 -16.036 68 HG3 ARG 9 HG3 ARG 9 -13.802 9.147 -15.843 69 HD2 ARG 9 HD2 ARG 9 -13.415 9.235 -18.268 70 HD3 ARG 9 HD3 ARG 9 -14.327 7.749 -18.507 71 HE ARG 9 HE ARG 9 -15.380 10.450 -17.923 72 HH11 ARG 9 HH11 ARG 9 -18.586 9.520 -18.751 73 HH12 ARG 9 HH12 ARG 9 -17.512 10.841 -18.377 74 HH21 ARG 9 HH21 ARG 9 -17.931 7.441 -18.545 75 HH22 ARG 9 HH22 ARG 9 -16.260 7.070 -18.180 76 H ASP 10 H ASP 10 -12.926 4.590 -15.120 77 HA ASP 10 HA ASP 10 -14.548 4.399 -12.704 78 HB2 ASP 10 HB2 ASP 10 -16.000 5.647 -14.424 79 HB3 ASP 10 HB3 ASP 10 -15.929 4.202 -15.420 80 H THR 11 H THR 11 -15.554 2.277 -12.499 81 HA THR 11 HA THR 11 -14.507 0.035 -14.163 82 HB THR 11 HB THR 11 -14.313 -1.348 -12.059 83 HG1 THR 11 HG1 THR 11 -13.946 -0.161 -10.148 84 HG21 THR 11 HG21 THR 11 -12.065 -0.589 -11.487 85 HG22 THR 11 HG22 THR 11 -12.321 -0.585 -13.235 86 HG23 THR 11 HG23 THR 11 -12.353 0.952 -12.333 87 H LYS 12 H LYS 12 -17.223 1.578 -12.864 88 HA LYS 12 HA LYS 12 -18.977 -0.465 -12.088 89 HB2 LYS 12 HB2 LYS 12 -19.331 2.025 -12.072 90 HB3 LYS 12 HB3 LYS 12 -19.582 1.950 -13.826 91 HG2 LYS 12 HG2 LYS 12 -21.576 0.533 -13.489 92 HG3 LYS 12 HG3 LYS 12 -21.279 0.522 -11.745 93 HD2 LYS 12 HD2 LYS 12 -23.031 2.094 -12.268 94 HD3 LYS 12 HD3 LYS 12 -21.642 2.984 -11.655 95 HE2 LYS 12 HE2 LYS 12 -22.001 2.610 -14.647 96 HE3 LYS 12 HE3 LYS 12 -23.031 3.763 -13.805 97 HZ1 LYS 12 HZ1 LYS 12 -20.045 3.914 -13.774 98 HZ2 LYS 12 HZ2 LYS 12 -21.018 4.767 -14.734 99 HZ3 LYS 12 HZ3 LYS 12 -21.091 4.991 -13.105 100 H TRP 13 H TRP 13 -18.174 0.529 -15.416 101 HA TRP 13 HA TRP 13 -19.990 -1.273 -16.725 102 HB2 TRP 13 HB2 TRP 13 -19.390 -0.185 -18.542 103 HB3 TRP 13 HB3 TRP 13 -18.502 0.888 -17.514 104 HD1 TRP 13 HD1 TRP 13 -17.927 -2.289 -19.627 105 HE1 TRP 13 HE1 TRP 13 -15.681 -2.135 -20.824 106 HE3 TRP 13 HE3 TRP 13 -16.164 2.040 -17.502 107 HZ2 TRP 13 HZ2 TRP 13 -13.420 -0.364 -20.898 108 HZ3 TRP 13 HZ3 TRP 13 -13.970 2.961 -18.222 109 HH2 TRP 13 HH2 TRP 13 -12.589 1.770 -19.896 110 H LEU 14 H LEU 14 -16.792 -1.695 -15.477 111 HA LEU 14 HA LEU 14 -16.240 -4.251 -16.808 112 HB2 LEU 14 HB2 LEU 14 -14.756 -2.561 -14.739 113 HB3 LEU 14 HB3 LEU 14 -14.103 -4.017 -15.427 114 HG LEU 14 HG LEU 14 -14.857 -1.545 -17.049 115 HD11 LEU 14 HD11 LEU 14 -12.141 -2.521 -16.062 116 HD12 LEU 14 HD12 LEU 14 -12.424 -1.151 -17.168 117 HD13 LEU 14 HD13 LEU 14 -12.999 -1.076 -15.502 118 HD21 LEU 14 HD21 LEU 14 -14.827 -3.629 -18.410 119 HD22 LEU 14 HD22 LEU 14 -13.475 -2.570 -18.817 120 HD23 LEU 14 HD23 LEU 14 -13.193 -3.996 -17.803 121 H THR 15 H THR 15 -17.865 -3.319 -13.933 122 HA THR 15 HA THR 15 -17.025 -5.608 -12.324 123 HB THR 15 HB THR 15 -19.312 -3.746 -11.709 124 HG1 THR 15 HG1 THR 15 -17.221 -2.679 -12.065 125 HG21 THR 15 HG21 THR 15 -18.591 -4.268 -9.354 126 HG22 THR 15 HG22 THR 15 -19.281 -5.635 -10.230 127 HG23 THR 15 HG23 THR 15 -17.519 -5.522 -10.004 128 H LEU 16 H LEU 16 -17.419 -7.210 -13.775 129 HA LEU 16 HA LEU 16 -19.967 -7.959 -14.901 130 HB2 LEU 16 HB2 LEU 16 -17.536 -8.312 -15.712 131 HB3 LEU 16 HB3 LEU 16 -17.396 -9.561 -14.505 132 HG LEU 16 HG LEU 16 -18.922 -10.992 -15.668 133 HD11 LEU 16 HD11 LEU 16 -19.547 -8.629 -17.488 134 HD12 LEU 16 HD12 LEU 16 -20.009 -10.314 -17.817 135 HD13 LEU 16 HD13 LEU 16 -20.684 -9.488 -16.414 136 HD21 LEU 16 HD21 LEU 16 -16.592 -10.751 -16.558 137 HD22 LEU 16 HD22 LEU 16 -17.735 -11.146 -17.848 138 HD23 LEU 16 HD23 LEU 16 -17.162 -9.495 -17.671 139 H GLU 17 H GLU 17 -21.359 -9.675 -14.250 140 HA GLU 17 HA GLU 17 -21.336 -10.375 -11.420 141 HB2 GLU 17 HB2 GLU 17 -22.996 -11.558 -13.658 142 HB3 GLU 17 HB3 GLU 17 -23.270 -11.656 -11.899 143 HG2 GLU 17 HG2 GLU 17 -23.745 -9.283 -11.789 144 HG3 GLU 17 HG3 GLU 17 -23.404 -9.102 -13.518 145 H VAL 18 H VAL 18 -21.091 -12.437 -10.461 146 HA VAL 18 HA VAL 18 -19.312 -14.326 -11.893 147 HB VAL 18 HB VAL 18 -19.027 -15.485 -9.837 148 HG11 VAL 18 HG11 VAL 18 -19.011 -12.517 -9.165 149 HG12 VAL 18 HG12 VAL 18 -18.030 -13.801 -8.436 150 HG13 VAL 18 HG13 VAL 18 -17.780 -13.369 -10.136 151 HG21 VAL 18 HG21 VAL 18 -20.129 -14.765 -7.705 152 HG22 VAL 18 HG22 VAL 18 -21.256 -13.786 -8.662 153 HG23 VAL 18 HG23 VAL 18 -21.230 -15.539 -8.855 154 H CYS 19 H CYS 19 -19.816 -16.639 -12.142 155 HA CYS 19 HA CYS 19 -22.565 -17.089 -12.902 156 HB2 CYS 19 HB2 CYS 19 -20.557 -18.065 -14.035 157 HB3 CYS 19 HB3 CYS 19 -20.278 -19.054 -12.615 158 H ARG 20 H ARG 20 -24.236 -18.007 -11.789 159 HA ARG 20 HA ARG 20 -24.051 -18.406 -8.922 160 HB2 ARG 20 HB2 ARG 20 -26.282 -19.261 -10.820 161 HB3 ARG 20 HB3 ARG 20 -26.323 -19.319 -9.066 162 HG2 ARG 20 HG2 ARG 20 -27.488 -17.439 -9.375 163 HG3 ARG 20 HG3 ARG 20 -25.896 -16.738 -9.139 164 HD2 ARG 20 HD2 ARG 20 -26.747 -17.369 -11.971 165 HD3 ARG 20 HD3 ARG 20 -27.636 -16.106 -11.125 166 HE ARG 20 HE ARG 20 -24.660 -15.934 -11.199 167 HH11 ARG 20 HH11 ARG 20 -26.819 -12.935 -12.602 168 HH12 ARG 20 HH12 ARG 20 -27.729 -14.385 -12.165 169 HH21 ARG 20 HH21 ARG 20 -23.774 -14.084 -11.910 170 HH22 ARG 20 HH22 ARG 20 -24.844 -12.784 -12.488 171 H GLU 21 H GLU 21 -23.726 -20.634 -11.619 172 HA GLU 21 HA GLU 21 -24.057 -23.062 -9.996 173 HB2 GLU 21 HB2 GLU 21 -22.873 -22.639 -12.748 174 HB3 GLU 21 HB3 GLU 21 -23.292 -24.193 -12.024 175 HG2 GLU 21 HG2 GLU 21 -25.339 -22.024 -12.657 176 HG3 GLU 21 HG3 GLU 21 -24.905 -23.324 -13.751 177 H PHE 22 H PHE 22 -21.335 -21.156 -11.327 178 HA PHE 22 HA PHE 22 -19.205 -22.811 -10.365 179 HB2 PHE 22 HB2 PHE 22 -19.105 -21.072 -12.107 180 HB3 PHE 22 HB3 PHE 22 -19.350 -19.833 -10.896 181 HD1 PHE 22 HD1 PHE 22 -16.984 -22.327 -12.256 182 HD2 PHE 22 HD2 PHE 22 -17.521 -19.041 -9.516 183 HE1 PHE 22 HE1 PHE 22 -14.513 -22.134 -11.996 184 HE2 PHE 22 HE2 PHE 22 -15.058 -18.829 -9.284 185 HZ PHE 22 HZ PHE 22 -13.551 -20.379 -10.514 186 H GLN 23 H GLN 23 -21.103 -20.217 -8.851 187 HA GLN 23 HA GLN 23 -19.536 -19.917 -6.456 188 HB2 GLN 23 HB2 GLN 23 -22.457 -19.396 -7.127 189 HB3 GLN 23 HB3 GLN 23 -21.828 -19.093 -5.516 190 HG2 GLN 23 HG2 GLN 23 -20.617 -17.815 -7.992 191 HG3 GLN 23 HG3 GLN 23 -21.936 -17.100 -7.066 192 HE21 GLN 23 HE21 GLN 23 -21.470 -16.319 -4.866 193 HE22 GLN 23 HE22 GLN 23 -19.801 -16.077 -4.372 194 H ARG 24 H ARG 24 -21.444 -22.521 -7.483 195 HA ARG 24 HA ARG 24 -21.493 -23.794 -4.774 196 HB2 ARG 24 HB2 ARG 24 -23.508 -23.682 -7.032 197 HB3 ARG 24 HB3 ARG 24 -23.534 -25.046 -5.916 198 HG2 ARG 24 HG2 ARG 24 -24.194 -23.811 -4.106 199 HG3 ARG 24 HG3 ARG 24 -23.440 -22.320 -4.666 200 HD2 ARG 24 HD2 ARG 24 -25.920 -22.236 -4.641 201 HD3 ARG 24 HD3 ARG 24 -25.180 -21.835 -6.182 202 HE ARG 24 HE ARG 24 -26.594 -24.406 -5.520 203 HH11 ARG 24 HH11 ARG 24 -25.438 -22.203 -8.031 204 HH12 ARG 24 HH12 ARG 24 -26.279 -23.119 -9.278 205 HH21 ARG 24 HH21 ARG 24 -27.395 -24.821 -8.863 206 HH22 ARG 24 HH22 ARG 24 -27.597 -25.472 -7.252 207 H GLY 25 H GLY 25 -19.593 -23.792 -7.280 208 HA2 GLY 25 HA2 GLY 25 -18.174 -25.257 -8.310 209 HA3 GLY 25 HA3 GLY 25 -18.446 -26.334 -6.935 210 H THR 26 H THR 26 -20.910 -25.311 -9.308 211 HA THR 26 HA THR 26 -21.027 -28.087 -10.402 212 HB THR 26 HB THR 26 -22.574 -27.796 -8.520 213 HG1 THR 26 HG1 THR 26 -23.707 -28.208 -11.064 214 HG21 THR 26 HG21 THR 26 -23.287 -25.492 -8.697 215 HG22 THR 26 HG22 THR 26 -24.033 -25.793 -10.285 216 HG23 THR 26 HG23 THR 26 -24.684 -26.558 -8.820 217 H CYS 27 H CYS 27 -20.171 -25.290 -11.560 218 HA CYS 27 HA CYS 27 -22.007 -24.913 -13.762 219 HB2 CYS 27 HB2 CYS 27 -20.390 -23.182 -12.798 220 HB3 CYS 27 HB3 CYS 27 -19.113 -23.995 -13.709 221 H SER 28 H SER 28 -21.038 -25.032 -16.069 222 HA SER 28 HA SER 28 -19.777 -27.704 -16.589 223 HB2 SER 28 HB2 SER 28 -21.506 -28.249 -18.217 224 HB3 SER 28 HB3 SER 28 -22.203 -27.992 -16.613 225 HG SER 28 HG SER 28 -23.411 -26.932 -18.251 226 H ARG 29 H ARG 29 -19.326 -24.535 -17.185 227 HA ARG 29 HA ARG 29 -18.077 -24.989 -19.885 228 HB2 ARG 29 HB2 ARG 29 -19.714 -22.643 -18.862 229 HB3 ARG 29 HB3 ARG 29 -18.672 -22.580 -20.275 230 HG2 ARG 29 HG2 ARG 29 -20.000 -24.431 -21.325 231 HG3 ARG 29 HG3 ARG 29 -21.114 -24.380 -19.936 232 HD2 ARG 29 HD2 ARG 29 -21.620 -22.016 -20.405 233 HD3 ARG 29 HD3 ARG 29 -20.423 -22.027 -21.714 234 HE ARG 29 HE ARG 29 -22.627 -23.957 -21.973 235 HH11 ARG 29 HH11 ARG 29 -22.555 -20.693 -24.280 236 HH12 ARG 29 HH12 ARG 29 -21.411 -20.791 -22.969 237 HH21 ARG 29 HH21 ARG 29 -23.964 -22.321 -24.689 238 HH22 ARG 29 HH22 ARG 29 -24.009 -23.748 -23.700 239 HA PRO 30 HA PRO 30 -14.521 -23.107 -17.798 240 HB2 PRO 30 HB2 PRO 30 -12.985 -22.420 -19.955 241 HB3 PRO 30 HB3 PRO 30 -13.198 -24.118 -19.429 242 HG2 PRO 30 HG2 PRO 30 -14.708 -22.641 -21.605 243 HG3 PRO 30 HG3 PRO 30 -13.915 -24.245 -21.712 244 HD2 PRO 30 HD2 PRO 30 -16.583 -24.022 -21.231 245 HD3 PRO 30 HD3 PRO 30 -15.607 -25.267 -20.414 246 H ASP 31 H ASP 31 -13.467 -20.891 -17.771 247 HA ASP 31 HA ASP 31 -15.323 -18.783 -17.663 248 HB2 ASP 31 HB2 ASP 31 -13.450 -17.321 -17.370 249 HB3 ASP 31 HB3 ASP 31 -13.130 -18.828 -16.510 250 H THR 32 H THR 32 -13.404 -19.829 -20.405 251 HA THR 32 HA THR 32 -13.817 -17.550 -22.106 252 HB THR 32 HB THR 32 -13.086 -19.195 -23.923 253 HG1 THR 32 HG1 THR 32 -12.229 -21.129 -23.139 254 HG21 THR 32 HG21 THR 32 -11.281 -18.915 -21.484 255 HG22 THR 32 HG22 THR 32 -10.770 -19.252 -23.153 256 HG23 THR 32 HG23 THR 32 -11.505 -17.692 -22.755 257 H GLU 33 H GLU 33 -15.974 -20.072 -21.263 258 HA GLU 33 HA GLU 33 -17.668 -19.690 -23.728 259 HB2 GLU 33 HB2 GLU 33 -17.078 -22.066 -21.954 260 HB3 GLU 33 HB3 GLU 33 -18.402 -22.102 -23.078 261 HG2 GLU 33 HG2 GLU 33 -15.457 -21.718 -23.787 262 HG3 GLU 33 HG3 GLU 33 -16.370 -23.215 -23.949 263 H CYS 34 H CYS 34 -17.698 -19.674 -20.196 264 HA CYS 34 HA CYS 34 -20.434 -20.212 -19.872 265 HB2 CYS 34 HB2 CYS 34 -18.517 -20.353 -18.207 266 HB3 CYS 34 HB3 CYS 34 -18.760 -18.623 -17.916 267 H LYS 35 H LYS 35 -21.842 -18.838 -18.620 268 HA LYS 35 HA LYS 35 -22.793 -16.573 -20.256 269 HB2 LYS 35 HB2 LYS 35 -24.151 -17.485 -17.702 270 HB3 LYS 35 HB3 LYS 35 -24.847 -16.813 -19.144 271 HG2 LYS 35 HG2 LYS 35 -25.646 -18.968 -19.107 272 HG3 LYS 35 HG3 LYS 35 -24.374 -19.034 -20.314 273 HD2 LYS 35 HD2 LYS 35 -24.526 -21.047 -18.837 274 HD3 LYS 35 HD3 LYS 35 -22.946 -20.303 -18.822 275 HE2 LYS 35 HE2 LYS 35 -23.675 -19.103 -16.662 276 HE3 LYS 35 HE3 LYS 35 -25.093 -20.162 -16.650 277 HZ1 LYS 35 HZ1 LYS 35 -23.096 -20.884 -15.315 278 HZ2 LYS 35 HZ2 LYS 35 -23.498 -22.048 -16.442 279 HZ3 LYS 35 HZ3 LYS 35 -22.234 -20.985 -16.586 280 H PHE 36 H PHE 36 -21.041 -16.965 -17.349 281 HA PHE 36 HA PHE 36 -21.086 -14.061 -16.741 282 HB2 PHE 36 HB2 PHE 36 -21.602 -16.245 -14.718 283 HB3 PHE 36 HB3 PHE 36 -21.485 -14.535 -14.353 284 HD1 PHE 36 HD1 PHE 36 -23.738 -17.193 -14.943 285 HD2 PHE 36 HD2 PHE 36 -23.221 -12.962 -15.601 286 HE1 PHE 36 HE1 PHE 36 -26.198 -16.927 -15.175 287 HE2 PHE 36 HE2 PHE 36 -25.682 -12.698 -15.828 288 HZ PHE 36 HZ PHE 36 -27.172 -14.681 -15.623 289 H ALA 37 H ALA 37 -19.394 -13.781 -14.711 290 HA ALA 37 HA ALA 37 -16.886 -14.785 -15.808 291 HB1 ALA 37 HB1 ALA 37 -15.920 -13.261 -14.144 292 HB2 ALA 37 HB2 ALA 37 -17.182 -12.447 -15.081 293 HB3 ALA 37 HB3 ALA 37 -17.535 -13.004 -13.437 294 H HIS 38 H HIS 38 -15.282 -15.929 -14.718 295 HA HIS 38 HA HIS 38 -16.054 -17.584 -12.351 296 HB2 HIS 38 HB2 HIS 38 -14.638 -18.434 -14.900 297 HB3 HIS 38 HB3 HIS 38 -14.608 -19.371 -13.408 298 HD1 HIS 38 HD1 HIS 38 -15.898 -20.599 -16.028 299 HD2 HIS 38 HD2 HIS 38 -17.960 -18.553 -12.986 300 HE1 HIS 38 HE1 HIS 38 -18.346 -21.294 -16.205 301 HA PRO 39 HA PRO 39 -12.256 -15.127 -11.359 302 HB2 PRO 39 HB2 PRO 39 -12.601 -15.126 -8.597 303 HB3 PRO 39 HB3 PRO 39 -13.309 -13.940 -9.720 304 HG2 PRO 39 HG2 PRO 39 -14.567 -16.429 -8.547 305 HG3 PRO 39 HG3 PRO 39 -15.284 -14.794 -8.679 306 HD2 PRO 39 HD2 PRO 39 -15.882 -16.748 -10.447 307 HD3 PRO 39 HD3 PRO 39 -15.676 -15.062 -11.005 308 H SER 40 H SER 40 -10.249 -15.690 -10.618 309 HA SER 40 HA SER 40 -9.688 -18.523 -10.020 310 HB2 SER 40 HB2 SER 40 -7.392 -17.929 -10.337 311 HB3 SER 40 HB3 SER 40 -8.305 -17.104 -11.618 312 HG SER 40 HG SER 40 -6.811 -15.703 -10.621 313 H LYS 41 H LYS 41 -7.668 -18.626 -8.417 314 HA LYS 41 HA LYS 41 -8.503 -18.128 -5.707 315 HB2 LYS 41 HB2 LYS 41 -5.827 -18.805 -7.008 316 HB3 LYS 41 HB3 LYS 41 -6.066 -18.776 -5.258 317 HG2 LYS 41 HG2 LYS 41 -7.489 -20.641 -7.208 318 HG3 LYS 41 HG3 LYS 41 -6.123 -21.052 -6.166 319 HD2 LYS 41 HD2 LYS 41 -7.546 -20.450 -4.162 320 HD3 LYS 41 HD3 LYS 41 -8.935 -20.294 -5.244 321 HE2 LYS 41 HE2 LYS 41 -7.236 -22.807 -4.895 322 HE3 LYS 41 HE3 LYS 41 -8.765 -22.502 -4.069 323 HZ1 LYS 41 HZ1 LYS 41 -8.446 -22.748 -7.013 324 HZ2 LYS 41 HZ2 LYS 41 -9.118 -23.858 -6.028 325 HZ3 LYS 41 HZ3 LYS 41 -9.858 -22.423 -6.250 326 H SER 42 H SER 42 -6.959 -16.023 -7.992 327 HA SER 42 HA SER 42 -6.059 -14.155 -5.831 328 HB2 SER 42 HB2 SER 42 -5.262 -14.242 -8.757 329 HB3 SER 42 HB3 SER 42 -4.631 -13.133 -7.523 330 HG SER 42 HG SER 42 -3.262 -14.955 -7.842 331 H CYS 43 H CYS 43 -8.450 -14.407 -8.410 332 HA CYS 43 HA CYS 43 -8.799 -11.626 -8.891 333 HB2 CYS 43 HB2 CYS 43 -10.706 -13.968 -9.187 334 HB3 CYS 43 HB3 CYS 43 -11.032 -12.334 -9.782 335 HG CYS 43 HG CYS 43 -8.377 -14.220 -10.503 336 H GLN 44 H GLN 44 -9.901 -10.030 -7.868 337 HA GLN 44 HA GLN 44 -11.018 -10.533 -5.197 338 HB2 GLN 44 HB2 GLN 44 -10.570 -8.055 -6.902 339 HB3 GLN 44 HB3 GLN 44 -11.562 -8.002 -5.433 340 HG2 GLN 44 HG2 GLN 44 -9.708 -8.941 -4.106 341 HG3 GLN 44 HG3 GLN 44 -8.684 -8.999 -5.548 342 HE21 GLN 44 HE21 GLN 44 -10.730 -6.536 -3.783 343 HE22 GLN 44 HE22 GLN 44 -9.513 -5.277 -3.930 344 H VAL 45 H VAL 45 -13.086 -10.536 -4.555 345 HA VAL 45 HA VAL 45 -15.262 -10.380 -6.598 346 HB VAL 45 HB VAL 45 -15.175 -12.327 -4.273 347 HG11 VAL 45 HG11 VAL 45 -17.436 -11.938 -5.104 348 HG12 VAL 45 HG12 VAL 45 -16.907 -12.243 -6.774 349 HG13 VAL 45 HG13 VAL 45 -16.913 -13.549 -5.573 350 HG21 VAL 45 HG21 VAL 45 -13.342 -13.026 -5.717 351 HG22 VAL 45 HG22 VAL 45 -14.684 -14.154 -5.856 352 HG23 VAL 45 HG23 VAL 45 -14.400 -12.967 -7.139 353 H GLU 46 H GLU 46 -17.246 -9.575 -5.895 354 HA GLU 46 HA GLU 46 -17.613 -8.685 -3.093 355 HB2 GLU 46 HB2 GLU 46 -18.339 -6.426 -4.027 356 HB3 GLU 46 HB3 GLU 46 -16.618 -6.736 -3.774 357 HG2 GLU 46 HG2 GLU 46 -16.295 -7.052 -6.200 358 HG3 GLU 46 HG3 GLU 46 -18.024 -6.826 -6.480 359 H ASN 47 H ASN 47 -19.527 -9.317 -2.490 360 HA ASN 47 HA ASN 47 -21.676 -10.076 -2.496 361 HB2 ASN 47 HB2 ASN 47 -21.943 -7.275 -3.644 362 HB3 ASN 47 HB3 ASN 47 -23.211 -8.137 -2.777 363 HD21 ASN 47 HD21 ASN 47 -21.778 -5.563 -2.134 364 HD22 ASN 47 HD22 ASN 47 -21.194 -5.828 -0.497 365 H GLY 48 H GLY 48 -20.511 -11.028 -4.999 366 HA2 GLY 48 HA2 GLY 48 -21.737 -12.543 -6.449 367 HA3 GLY 48 HA3 GLY 48 -23.028 -11.358 -6.610 368 H ARG 49 H ARG 49 -20.013 -9.731 -6.852 369 HA ARG 49 HA ARG 49 -19.812 -10.176 -9.799 370 HB2 ARG 49 HB2 ARG 49 -19.778 -7.415 -8.501 371 HB3 ARG 49 HB3 ARG 49 -19.641 -7.831 -10.208 372 HG2 ARG 49 HG2 ARG 49 -21.984 -8.808 -10.080 373 HG3 ARG 49 HG3 ARG 49 -22.114 -8.101 -8.459 374 HD2 ARG 49 HD2 ARG 49 -21.768 -5.863 -9.357 375 HD3 ARG 49 HD3 ARG 49 -21.335 -6.532 -10.934 376 HE ARG 49 HE ARG 49 -24.083 -6.745 -9.772 377 HH11 ARG 49 HH11 ARG 49 -25.487 -6.242 -12.860 378 HH12 ARG 49 HH12 ARG 49 -25.775 -6.538 -11.174 379 HH21 ARG 49 HH21 ARG 49 -23.467 -5.924 -13.631 380 HH22 ARG 49 HH22 ARG 49 -22.065 -6.087 -12.612 381 H VAL 50 H VAL 50 -17.946 -9.258 -10.736 382 HA VAL 50 HA VAL 50 -15.455 -9.132 -9.094 383 HB VAL 50 HB VAL 50 -14.398 -10.547 -10.910 384 HG11 VAL 50 HG11 VAL 50 -16.356 -11.816 -8.989 385 HG12 VAL 50 HG12 VAL 50 -15.130 -12.712 -9.897 386 HG13 VAL 50 HG13 VAL 50 -14.633 -11.469 -8.747 387 HG21 VAL 50 HG21 VAL 50 -17.258 -11.462 -11.481 388 HG22 VAL 50 HG22 VAL 50 -16.189 -10.607 -12.609 389 HG23 VAL 50 HG23 VAL 50 -15.778 -12.232 -12.044 390 H ILE 51 H ILE 51 -13.830 -7.806 -10.100 391 HA ILE 51 HA ILE 51 -14.910 -6.061 -12.261 392 HB ILE 51 HB ILE 51 -12.503 -5.646 -10.465 393 HG12 ILE 51 HG12 ILE 51 -15.379 -4.698 -10.379 394 HG13 ILE 51 HG13 ILE 51 -14.504 -5.631 -9.161 395 HG21 ILE 51 HG21 ILE 51 -12.308 -4.470 -12.670 396 HG22 ILE 51 HG22 ILE 51 -13.915 -3.753 -12.415 397 HG23 ILE 51 HG23 ILE 51 -12.544 -3.336 -11.360 398 HD11 ILE 51 HD11 ILE 51 -13.089 -3.633 -8.686 399 HD12 ILE 51 HD12 ILE 51 -14.118 -2.695 -9.808 400 HD13 ILE 51 HD13 ILE 51 -14.827 -3.411 -8.360 401 H ALA 52 H ALA 52 -14.199 -6.057 -14.286 402 HA ALA 52 HA ALA 52 -12.314 -8.079 -15.172 403 HB1 ALA 52 HB1 ALA 52 -14.348 -7.616 -16.442 404 HB2 ALA 52 HB2 ALA 52 -13.842 -5.935 -16.695 405 HB3 ALA 52 HB3 ALA 52 -12.913 -7.260 -17.421 406 H CYS 53 H CYS 53 -10.375 -7.770 -16.274 407 HA CYS 53 HA CYS 53 -8.683 -5.747 -15.179 408 HB2 CYS 53 HB2 CYS 53 -8.054 -8.110 -15.626 409 HB3 CYS 53 HB3 CYS 53 -8.088 -7.777 -17.358 410 H PHE 54 H PHE 54 -9.087 -3.729 -15.761 411 HA PHE 54 HA PHE 54 -9.673 -2.736 -18.388 412 HB2 PHE 54 HB2 PHE 54 -8.912 -0.536 -17.447 413 HB3 PHE 54 HB3 PHE 54 -10.167 -1.332 -16.520 414 HD1 PHE 54 HD1 PHE 54 -9.766 -2.221 -14.282 415 HD2 PHE 54 HD2 PHE 54 -6.599 -0.350 -16.542 416 HE1 PHE 54 HE1 PHE 54 -8.353 -2.172 -12.258 417 HE2 PHE 54 HE2 PHE 54 -5.160 -0.348 -14.539 418 HZ PHE 54 HZ PHE 54 -6.033 -1.241 -12.369 419 H ASP 55 H ASP 55 -6.569 -3.331 -16.696 420 HA ASP 55 HA ASP 55 -4.861 -2.115 -18.647 421 HB2 ASP 55 HB2 ASP 55 -4.374 -4.426 -16.741 422 HB3 ASP 55 HB3 ASP 55 -3.144 -3.745 -17.785 423 H SER 56 H SER 56 -6.329 -5.434 -18.524 424 HA SER 56 HA SER 56 -4.897 -6.392 -20.816 425 HB2 SER 56 HB2 SER 56 -6.296 -8.252 -20.815 426 HB3 SER 56 HB3 SER 56 -6.145 -7.800 -19.117 427 HG SER 56 HG SER 56 -8.208 -6.754 -19.328 428 H LEU 57 H LEU 57 -8.049 -4.744 -20.543 429 HA LEU 57 HA LEU 57 -8.720 -4.863 -23.347 430 HB2 LEU 57 HB2 LEU 57 -9.648 -3.227 -20.965 431 HB3 LEU 57 HB3 LEU 57 -10.267 -2.877 -22.576 432 HG LEU 57 HG LEU 57 -10.439 -5.650 -21.346 433 HD11 LEU 57 HD11 LEU 57 -11.626 -4.065 -19.896 434 HD12 LEU 57 HD12 LEU 57 -12.493 -3.396 -21.298 435 HD13 LEU 57 HD13 LEU 57 -12.785 -5.072 -20.776 436 HD21 LEU 57 HD21 LEU 57 -12.280 -5.936 -22.982 437 HD22 LEU 57 HD22 LEU 57 -11.969 -4.306 -23.616 438 HD23 LEU 57 HD23 LEU 57 -10.748 -5.585 -23.793 439 H LYS 58 H LYS 58 -7.079 -2.371 -21.378 440 HA LYS 58 HA LYS 58 -6.793 -0.513 -23.630 441 HB2 LYS 58 HB2 LYS 58 -5.533 -0.547 -20.854 442 HB3 LYS 58 HB3 LYS 58 -5.390 0.779 -21.996 443 HG2 LYS 58 HG2 LYS 58 -7.962 -0.195 -20.690 444 HG3 LYS 58 HG3 LYS 58 -7.069 1.254 -20.282 445 HD2 LYS 58 HD2 LYS 58 -8.619 0.678 -22.836 446 HD3 LYS 58 HD3 LYS 58 -9.075 1.793 -21.559 447 HE2 LYS 58 HE2 LYS 58 -6.614 2.095 -23.353 448 HE3 LYS 58 HE3 LYS 58 -8.164 2.890 -23.621 449 HZ1 LYS 58 HZ1 LYS 58 -7.898 4.027 -21.486 450 HZ2 LYS 58 HZ2 LYS 58 -6.446 3.313 -21.233 451 HZ3 LYS 58 HZ3 LYS 58 -6.640 4.362 -22.467 452 H GLY 59 H GLY 59 -5.119 -3.331 -22.873 453 HA2 GLY 59 HA2 GLY 59 -3.341 -4.317 -23.998 454 HA3 GLY 59 HA3 GLY 59 -3.094 -2.833 -24.923 455 H ARG 60 H ARG 60 -3.072 -3.311 -21.409 456 HA ARG 60 HA ARG 60 -0.215 -2.426 -21.205 457 HB2 ARG 60 HB2 ARG 60 -1.945 -0.707 -20.692 458 HB3 ARG 60 HB3 ARG 60 -2.587 -1.731 -19.406 459 HG2 ARG 60 HG2 ARG 60 -0.581 -1.491 -18.093 460 HG3 ARG 60 HG3 ARG 60 0.286 -0.725 -19.440 461 HD2 ARG 60 HD2 ARG 60 -1.268 1.181 -19.393 462 HD3 ARG 60 HD3 ARG 60 -2.196 0.435 -18.097 463 HE ARG 60 HE ARG 60 0.544 1.604 -17.925 464 HH11 ARG 60 HH11 ARG 60 0.368 1.823 -14.503 465 HH12 ARG 60 HH12 ARG 60 1.155 2.408 -15.944 466 HH21 ARG 60 HH21 ARG 60 -2.000 -0.088 -16.131 467 HH22 ARG 60 HH22 ARG 60 -1.396 0.506 -14.607 468 H CYS 61 H CYS 61 -2.551 -4.811 -20.078 469 HA CYS 61 HA CYS 61 -1.131 -5.525 -17.706 470 HB2 CYS 61 HB2 CYS 61 -3.566 -5.995 -18.304 471 HB3 CYS 61 HB3 CYS 61 -2.989 -7.369 -19.245 472 H SER 62 H SER 62 0.151 -7.183 -17.213 473 HA SER 62 HA SER 62 1.300 -9.079 -19.128 474 HB2 SER 62 HB2 SER 62 3.639 -8.350 -18.780 475 HB3 SER 62 HB3 SER 62 2.680 -7.126 -19.613 476 HG SER 62 HG SER 62 2.552 -5.933 -17.736 477 H ARG 63 H ARG 63 0.011 -8.659 -16.258 478 HA ARG 63 HA ARG 63 1.841 -9.821 -14.346 479 HB2 ARG 63 HB2 ARG 63 -1.184 -9.408 -14.402 480 HB3 ARG 63 HB3 ARG 63 -0.308 -9.995 -12.987 481 HG2 ARG 63 HG2 ARG 63 0.998 -7.934 -12.861 482 HG3 ARG 63 HG3 ARG 63 0.214 -7.291 -14.309 483 HD2 ARG 63 HD2 ARG 63 -1.299 -8.089 -11.789 484 HD3 ARG 63 HD3 ARG 63 -0.686 -6.461 -12.071 485 HE ARG 63 HE ARG 63 -2.864 -7.826 -13.638 486 HH11 ARG 63 HH11 ARG 63 -4.075 -4.951 -14.853 487 HH12 ARG 63 HH12 ARG 63 -4.188 -6.696 -14.824 488 HH21 ARG 63 HH21 ARG 63 -2.550 -3.910 -13.944 489 HH22 ARG 63 HH22 ARG 63 -1.257 -4.703 -13.034 490 H GLU 64 H GLU 64 1.521 -11.749 -13.180 491 HA GLU 64 HA GLU 64 0.350 -14.066 -14.684 492 HB2 GLU 64 HB2 GLU 64 2.904 -13.992 -13.030 493 HB3 GLU 64 HB3 GLU 64 2.183 -15.443 -13.738 494 HG2 GLU 64 HG2 GLU 64 2.435 -14.442 -16.013 495 HG3 GLU 64 HG3 GLU 64 3.266 -13.059 -15.295 496 H ASN 65 H ASN 65 -0.186 -12.193 -12.151 497 HA ASN 65 HA ASN 65 -1.674 -14.222 -10.578 498 HB2 ASN 65 HB2 ASN 65 0.347 -12.185 -9.533 499 HB3 ASN 65 HB3 ASN 65 -0.750 -13.101 -8.495 500 HD21 ASN 65 HD21 ASN 65 -0.474 -15.491 -8.398 501 HD22 ASN 65 HD22 ASN 65 1.127 -16.134 -8.721 502 H CYS 66 H CYS 66 -2.377 -12.123 -12.571 503 HA CYS 66 HA CYS 66 -3.218 -9.701 -11.620 504 HB2 CYS 66 HB2 CYS 66 -3.068 -10.734 -13.989 505 HB3 CYS 66 HB3 CYS 66 -4.713 -11.315 -13.716 506 H LYS 67 H LYS 67 -4.779 -8.929 -10.403 507 HA LYS 67 HA LYS 67 -6.598 -10.717 -8.945 508 HB2 LYS 67 HB2 LYS 67 -6.444 -7.703 -8.685 509 HB3 LYS 67 HB3 LYS 67 -7.017 -8.891 -7.504 510 HG2 LYS 67 HG2 LYS 67 -4.634 -9.798 -7.430 511 HG3 LYS 67 HG3 LYS 67 -4.153 -8.375 -8.378 512 HD2 LYS 67 HD2 LYS 67 -5.572 -8.298 -5.676 513 HD3 LYS 67 HD3 LYS 67 -3.829 -8.101 -5.895 514 HE2 LYS 67 HE2 LYS 67 -4.095 -6.046 -7.112 515 HE3 LYS 67 HE3 LYS 67 -5.839 -6.293 -7.294 516 HZ1 LYS 67 HZ1 LYS 67 -4.543 -5.877 -4.664 517 HZ2 LYS 67 HZ2 LYS 67 -5.295 -4.701 -5.519 518 HZ3 LYS 67 HZ3 LYS 67 -6.158 -5.980 -4.984 519 H TYR 68 H TYR 68 -6.935 -9.387 -11.872 520 HA TYR 68 HA TYR 68 -9.863 -8.830 -11.586 521 HB2 TYR 68 HB2 TYR 68 -7.822 -7.498 -13.389 522 HB3 TYR 68 HB3 TYR 68 -9.545 -7.171 -13.350 523 HD1 TYR 68 HD1 TYR 68 -10.580 -5.943 -11.475 524 HD2 TYR 68 HD2 TYR 68 -6.328 -6.663 -11.610 525 HE1 TYR 68 HE1 TYR 68 -10.227 -4.197 -9.729 526 HE2 TYR 68 HE2 TYR 68 -5.976 -4.913 -9.879 527 HH TYR 68 HH TYR 68 -6.960 -3.346 -8.523 528 H LEU 69 H LEU 69 -11.195 -9.341 -13.333 529 HA LEU 69 HA LEU 69 -10.521 -11.884 -14.567 530 HB2 LEU 69 HB2 LEU 69 -12.955 -10.095 -14.427 531 HB3 LEU 69 HB3 LEU 69 -12.903 -11.331 -15.666 532 HG LEU 69 HG LEU 69 -14.101 -11.974 -13.606 533 HD11 LEU 69 HD11 LEU 69 -13.195 -13.674 -15.157 534 HD12 LEU 69 HD12 LEU 69 -11.688 -13.729 -14.221 535 HD13 LEU 69 HD13 LEU 69 -13.215 -14.241 -13.479 536 HD21 LEU 69 HD21 LEU 69 -12.506 -10.912 -11.968 537 HD22 LEU 69 HD22 LEU 69 -12.942 -12.594 -11.588 538 HD23 LEU 69 HD23 LEU 69 -11.370 -12.217 -12.316 539 H HIS 70 H HIS 70 -9.434 -12.154 -16.428 540 HA HIS 70 HA HIS 70 -9.134 -10.018 -18.397 541 HB2 HIS 70 HB2 HIS 70 -8.291 -12.905 -18.294 542 HB3 HIS 70 HB3 HIS 70 -8.164 -11.957 -19.770 543 HD1 HIS 70 HD1 HIS 70 -5.454 -12.085 -19.640 544 HD2 HIS 70 HD2 HIS 70 -7.434 -9.971 -16.590 545 HE1 HIS 70 HE1 HIS 70 -3.727 -10.526 -18.584 546 HA PRO 71 HA PRO 71 -13.320 -10.629 -19.925 547 HB2 PRO 71 HB2 PRO 71 -12.036 -9.257 -22.302 548 HB3 PRO 71 HB3 PRO 71 -13.671 -9.024 -21.621 549 HG2 PRO 71 HG2 PRO 71 -11.738 -7.329 -20.944 550 HG3 PRO 71 HG3 PRO 71 -12.722 -8.027 -19.618 551 HD2 PRO 71 HD2 PRO 71 -9.995 -8.926 -20.600 552 HD3 PRO 71 HD3 PRO 71 -10.536 -8.607 -18.934 553 HA PRO 72 HA PRO 72 -12.493 -14.247 -22.560 554 HB2 PRO 72 HB2 PRO 72 -14.782 -15.658 -22.119 555 HB3 PRO 72 HB3 PRO 72 -13.461 -15.546 -20.900 556 HG2 PRO 72 HG2 PRO 72 -16.044 -14.009 -21.056 557 HG3 PRO 72 HG3 PRO 72 -15.290 -14.755 -19.615 558 HD2 PRO 72 HD2 PRO 72 -15.055 -12.082 -20.250 559 HD3 PRO 72 HD3 PRO 72 -13.816 -12.986 -19.338 560 HA PRO 73 HA PRO 73 -14.382 -13.026 -26.390 561 HB2 PRO 73 HB2 PRO 73 -15.028 -15.959 -26.771 562 HB3 PRO 73 HB3 PRO 73 -14.338 -14.796 -27.947 563 HG2 PRO 73 HG2 PRO 73 -12.716 -16.521 -26.647 564 HG3 PRO 73 HG3 PRO 73 -12.228 -14.804 -26.821 565 HD2 PRO 73 HD2 PRO 73 -13.418 -16.186 -24.414 566 HD3 PRO 73 HD3 PRO 73 -12.093 -14.986 -24.505 567 H HIS 74 H HIS 74 -16.353 -15.303 -24.479 568 HA HIS 74 HA HIS 74 -18.855 -14.491 -25.765 569 HB2 HIS 74 HB2 HIS 74 -18.171 -16.418 -23.496 570 HB3 HIS 74 HB3 HIS 74 -19.827 -16.075 -23.985 571 HD1 HIS 74 HD1 HIS 74 -16.763 -18.005 -25.202 572 HD2 HIS 74 HD2 HIS 74 -20.619 -16.817 -26.475 573 HE1 HIS 74 HE1 HIS 74 -17.280 -19.350 -27.339 574 HE2 HIS 74 HE2 HIS 74 -19.637 -18.642 -28.093 575 H LEU 75 H LEU 75 -17.107 -12.995 -23.273 576 HA LEU 75 HA LEU 75 -19.582 -11.520 -22.434 577 HB2 LEU 75 HB2 LEU 75 -17.115 -12.067 -20.777 578 HB3 LEU 75 HB3 LEU 75 -18.476 -11.095 -20.268 579 HG LEU 75 HG LEU 75 -18.674 -14.068 -20.966 580 HD11 LEU 75 HD11 LEU 75 -17.324 -13.426 -18.870 581 HD12 LEU 75 HD12 LEU 75 -18.898 -12.928 -18.187 582 HD13 LEU 75 HD13 LEU 75 -18.646 -14.597 -18.729 583 HD21 LEU 75 HD21 LEU 75 -20.653 -12.123 -19.697 584 HD22 LEU 75 HD22 LEU 75 -20.804 -12.900 -21.289 585 HD23 LEU 75 HD23 LEU 75 -20.868 -13.887 -19.833 586 H LYS 76 H LYS 76 -16.508 -11.183 -23.975 587 HA LYS 76 HA LYS 76 -15.963 -8.423 -23.490 588 HB2 LYS 76 HB2 LYS 76 -15.496 -10.284 -25.839 589 HB3 LYS 76 HB3 LYS 76 -15.122 -8.558 -25.969 590 HG2 LYS 76 HG2 LYS 76 -13.579 -8.632 -24.117 591 HG3 LYS 76 HG3 LYS 76 -14.066 -10.275 -23.698 592 HD2 LYS 76 HD2 LYS 76 -11.884 -10.269 -24.833 593 HD3 LYS 76 HD3 LYS 76 -13.095 -11.182 -25.717 594 HE2 LYS 76 HE2 LYS 76 -11.800 -9.960 -27.311 595 HE3 LYS 76 HE3 LYS 76 -13.413 -9.254 -27.277 596 HZ1 LYS 76 HZ1 LYS 76 -11.024 -8.141 -25.892 597 HZ2 LYS 76 HZ2 LYS 76 -11.668 -7.556 -27.269 598 HZ3 LYS 76 HZ3 LYS 76 -12.513 -7.455 -25.879 599 H THR 77 H THR 77 -18.436 -9.909 -25.581 600 HA THR 77 HA THR 77 -19.297 -7.529 -26.914 601 HB THR 77 HB THR 77 -21.014 -9.911 -26.123 602 HG1 THR 77 HG1 THR 77 -20.342 -10.765 -28.107 603 HG21 THR 77 HG21 THR 77 -22.198 -9.380 -28.241 604 HG22 THR 77 HG22 THR 77 -22.287 -8.033 -27.098 605 HG23 THR 77 HG23 THR 77 -21.151 -7.957 -28.464 606 H GLN 78 H GLN 78 -20.363 -9.037 -23.825 607 HA GLN 78 HA GLN 78 -22.399 -7.070 -23.233 608 HB2 GLN 78 HB2 GLN 78 -20.852 -8.959 -21.398 609 HB3 GLN 78 HB3 GLN 78 -22.291 -8.050 -20.946 610 HG2 GLN 78 HG2 GLN 78 -22.119 -10.264 -23.036 611 HG3 GLN 78 HG3 GLN 78 -22.852 -10.383 -21.446 612 HE21 GLN 78 HE21 GLN 78 -23.979 -10.639 -24.328 613 HE22 GLN 78 HE22 GLN 78 -25.381 -9.582 -24.271 614 H LEU 79 H LEU 79 -18.983 -7.449 -22.225 615 HA LEU 79 HA LEU 79 -18.854 -5.139 -20.548 616 HB2 LEU 79 HB2 LEU 79 -16.734 -6.604 -22.162 617 HB3 LEU 79 HB3 LEU 79 -16.355 -5.307 -21.034 618 HG LEU 79 HG LEU 79 -17.858 -7.820 -20.195 619 HD11 LEU 79 HD11 LEU 79 -15.727 -8.506 -21.022 620 HD12 LEU 79 HD12 LEU 79 -14.889 -7.212 -20.118 621 HD13 LEU 79 HD13 LEU 79 -15.668 -8.561 -19.256 622 HD21 LEU 79 HD21 LEU 79 -16.330 -5.694 -18.620 623 HD22 LEU 79 HD22 LEU 79 -18.095 -5.898 -18.632 624 HD23 LEU 79 HD23 LEU 79 -17.069 -7.144 -17.922 625 H GLU 80 H GLU 80 -18.138 -5.390 -24.108 626 HA GLU 80 HA GLU 80 -17.492 -2.570 -24.219 627 HB2 GLU 80 HB2 GLU 80 -17.391 -2.664 -26.513 628 HB3 GLU 80 HB3 GLU 80 -16.715 -4.181 -25.938 629 HG2 GLU 80 HG2 GLU 80 -18.705 -5.391 -26.637 630 HG3 GLU 80 HG3 GLU 80 -19.562 -3.892 -27.010 631 H ILE 81 H ILE 81 -20.603 -4.298 -24.581 632 HA ILE 81 HA ILE 81 -22.127 -1.990 -25.404 633 HB ILE 81 HB ILE 81 -22.863 -4.604 -24.052 634 HG12 ILE 81 HG12 ILE 81 -23.561 -3.455 -26.796 635 HG13 ILE 81 HG13 ILE 81 -22.153 -4.461 -26.503 636 HG21 ILE 81 HG21 ILE 81 -24.507 -2.963 -23.218 637 HG22 ILE 81 HG22 ILE 81 -24.785 -2.374 -24.873 638 HG23 ILE 81 HG23 ILE 81 -25.260 -4.016 -24.396 639 HD11 ILE 81 HD11 ILE 81 -25.058 -5.316 -26.216 640 HD12 ILE 81 HD12 ILE 81 -23.867 -5.867 -27.401 641 HD13 ILE 81 HD13 ILE 81 -23.672 -6.302 -25.691 642 H ASN 82 H ASN 82 -21.247 -3.251 -22.164 643 HA ASN 82 HA ASN 82 -22.645 -1.238 -20.651 644 HB2 ASN 82 HB2 ASN 82 -20.097 -2.792 -20.001 645 HB3 ASN 82 HB3 ASN 82 -20.978 -1.783 -18.862 646 HD21 ASN 82 HD21 ASN 82 -20.442 -4.258 -18.117 647 HD22 ASN 82 HD22 ASN 82 -21.919 -5.224 -18.143 648 H GLY 83 H GLY 83 -19.271 -1.346 -21.908 649 HA2 GLY 83 HA2 GLY 83 -18.360 1.149 -20.917 650 HA3 GLY 83 HA3 GLY 83 -17.728 0.299 -22.333 651 H ARG 84 H ARG 84 -19.815 0.391 -24.120 652 HA ARG 84 HA ARG 84 -19.753 3.015 -25.260 653 HB2 ARG 84 HB2 ARG 84 -21.590 0.620 -25.674 654 HB3 ARG 84 HB3 ARG 84 -21.692 2.076 -26.661 655 HG2 ARG 84 HG2 ARG 84 -19.472 1.781 -27.544 656 HG3 ARG 84 HG3 ARG 84 -19.113 0.469 -26.420 657 HD2 ARG 84 HD2 ARG 84 -20.972 -0.875 -27.424 658 HD3 ARG 84 HD3 ARG 84 -21.236 0.398 -28.616 659 HE ARG 84 HE ARG 84 -19.149 -1.647 -28.610 660 HH11 ARG 84 HH11 ARG 84 -17.549 -0.638 -31.386 661 HH12 ARG 84 HH12 ARG 84 -17.860 -1.899 -30.187 662 HH21 ARG 84 HH21 ARG 84 -18.659 1.307 -31.219 663 HH22 ARG 84 HH22 ARG 84 -19.786 1.561 -29.913 664 H ASN 85 H ASN 85 -21.807 1.780 -22.773 665 HA ASN 85 HA ASN 85 -23.659 4.114 -22.972 666 HB2 ASN 85 HB2 ASN 85 -23.950 1.340 -21.751 667 HB3 ASN 85 HB3 ASN 85 -25.075 2.651 -21.414 668 HD21 ASN 85 HD21 ASN 85 -24.077 0.326 -23.834 669 HD22 ASN 85 HD22 ASN 85 -25.353 0.752 -24.979 670 H ASN 86 H ASN 86 -20.812 3.649 -21.558 671 HA ASN 86 HA ASN 86 -21.546 5.208 -19.109 672 HB2 ASN 86 HB2 ASN 86 -21.053 2.725 -18.699 673 HB3 ASN 86 HB3 ASN 86 -19.405 3.036 -19.258 674 HD21 ASN 86 HD21 ASN 86 -18.013 3.353 -17.561 675 HD22 ASN 86 HD22 ASN 86 -18.490 4.042 -16.002 676 H LEU 87 H LEU 87 -19.257 4.730 -21.741 677 HA LEU 87 HA LEU 87 -17.089 6.303 -20.870 678 HB2 LEU 87 HB2 LEU 87 -17.131 4.693 -22.742 679 HB3 LEU 87 HB3 LEU 87 -18.211 5.751 -23.647 680 HG LEU 87 HG LEU 87 -16.411 7.449 -23.823 681 HD11 LEU 87 HD11 LEU 87 -14.082 6.804 -23.202 682 HD12 LEU 87 HD12 LEU 87 -15.115 6.990 -21.783 683 HD13 LEU 87 HD13 LEU 87 -14.715 5.361 -22.374 684 HD21 LEU 87 HD21 LEU 87 -15.566 4.646 -24.665 685 HD22 LEU 87 HD22 LEU 87 -16.696 5.696 -25.543 686 HD23 LEU 87 HD23 LEU 87 -14.998 6.176 -25.374 687 H ILE 88 H ILE 88 -20.169 7.327 -22.225 688 HA ILE 88 HA ILE 88 -19.433 10.040 -22.869 689 HB ILE 88 HB ILE 88 -21.781 10.392 -23.239 690 HG12 ILE 88 HG12 ILE 88 -22.645 8.959 -21.345 691 HG13 ILE 88 HG13 ILE 88 -23.539 8.978 -22.852 692 HG21 ILE 88 HG21 ILE 88 -22.117 8.832 -25.083 693 HG22 ILE 88 HG22 ILE 88 -20.457 9.442 -25.020 694 HG23 ILE 88 HG23 ILE 88 -20.813 7.793 -24.477 695 HD11 ILE 88 HD11 ILE 88 -23.534 6.758 -21.900 696 HD12 ILE 88 HD12 ILE 88 -22.649 6.734 -23.429 697 HD13 ILE 88 HD13 ILE 88 -21.769 6.705 -21.880 698 H GLN 89 H GLN 89 -20.854 11.820 -21.965 699 HA GLN 89 HA GLN 89 -20.169 12.350 -19.232 700 HB2 GLN 89 HB2 GLN 89 -20.406 14.043 -21.034 701 HB3 GLN 89 HB3 GLN 89 -22.134 13.718 -21.124 702 HG2 GLN 89 HG2 GLN 89 -21.655 15.802 -19.935 703 HG3 GLN 89 HG3 GLN 89 -22.472 14.662 -18.885 704 HE21 GLN 89 HE21 GLN 89 -19.509 16.513 -19.374 705 HE22 GLN 89 HE22 GLN 89 -18.744 15.984 -17.881 706 H GLN 90 H GLN 90 -21.640 12.780 -17.434 707 HA GLN 90 HA GLN 90 -23.347 10.667 -16.797 708 HB2 GLN 90 HB2 GLN 90 -22.220 12.184 -15.197 709 HB3 GLN 90 HB3 GLN 90 -23.322 13.486 -15.645 710 HG2 GLN 90 HG2 GLN 90 -23.961 12.457 -13.514 711 HG3 GLN 90 HG3 GLN 90 -25.226 12.236 -14.708 712 HE21 GLN 90 HE21 GLN 90 -23.011 10.572 -12.561 713 HE22 GLN 90 HE22 GLN 90 -23.511 8.955 -13.036 714 H LYS 91 H LYS 91 -25.478 10.255 -16.820 715 HA LYS 91 HA LYS 91 -27.081 11.357 -18.945 716 HB2 LYS 91 HB2 LYS 91 -27.771 9.355 -16.752 717 HB3 LYS 91 HB3 LYS 91 -28.740 9.670 -18.200 718 HG2 LYS 91 HG2 LYS 91 -26.818 8.975 -19.634 719 HG3 LYS 91 HG3 LYS 91 -25.893 8.578 -18.175 720 HD2 LYS 91 HD2 LYS 91 -27.645 6.904 -17.540 721 HD3 LYS 91 HD3 LYS 91 -28.533 7.310 -19.013 722 HE2 LYS 91 HE2 LYS 91 -27.324 5.314 -19.492 723 HE3 LYS 91 HE3 LYS 91 -26.533 6.622 -20.374 724 HZ1 LYS 91 HZ1 LYS 91 -25.592 5.435 -17.811 725 HZ2 LYS 91 HZ2 LYS 91 -24.894 5.222 -19.276 726 HZ3 LYS 91 HZ3 LYS 91 -24.859 6.689 -18.569 727 H ASN 92 H ASN 92 -26.774 12.586 -15.834 728 HA ASN 92 HA ASN 92 -29.173 14.288 -16.158 729 HB2 ASN 92 HB2 ASN 92 -29.916 12.320 -14.812 730 HB3 ASN 92 HB3 ASN 92 -28.616 12.622 -13.657 731 HD21 ASN 92 HD21 ASN 92 -30.683 12.587 -12.250 732 HD22 ASN 92 HD22 ASN 92 -31.443 14.154 -12.006 Start of MODEL 6 1 H MET 1 H MET 1 -4.260 10.169 -32.907 2 HA MET 1 HA MET 1 -5.989 8.531 -32.517 3 HB2 MET 1 HB2 MET 1 -6.177 9.989 -34.578 4 HB3 MET 1 HB3 MET 1 -5.520 8.655 -35.526 5 HG2 MET 1 HG2 MET 1 -7.928 8.745 -35.736 6 HG3 MET 1 HG3 MET 1 -7.474 7.262 -34.911 7 HE1 MET 1 HE1 MET 1 -10.443 8.355 -35.056 8 HE2 MET 1 HE2 MET 1 -9.977 6.866 -34.201 9 HE3 MET 1 HE3 MET 1 -10.986 8.080 -33.386 10 H ALA 2 H ALA 2 -3.141 7.303 -33.955 11 HA ALA 2 HA ALA 2 -3.949 4.479 -33.431 12 HB1 ALA 2 HB1 ALA 2 -4.268 4.963 -35.844 13 HB2 ALA 2 HB2 ALA 2 -2.569 5.479 -35.963 14 HB3 ALA 2 HB3 ALA 2 -2.968 3.790 -35.579 15 H VAL 3 H VAL 3 -1.998 6.732 -32.346 16 HA VAL 3 HA VAL 3 0.323 4.915 -31.831 17 HB VAL 3 HB VAL 3 1.853 6.833 -31.977 18 HG11 VAL 3 HG11 VAL 3 1.974 7.012 -34.377 19 HG12 VAL 3 HG12 VAL 3 1.516 5.359 -33.935 20 HG13 VAL 3 HG13 VAL 3 0.291 6.485 -34.560 21 HG21 VAL 3 HG21 VAL 3 0.245 8.690 -31.545 22 HG22 VAL 3 HG22 VAL 3 1.196 8.940 -33.014 23 HG23 VAL 3 HG23 VAL 3 -0.491 8.408 -33.140 24 H SER 4 H SER 4 -2.193 6.089 -30.318 25 HA SER 4 HA SER 4 -0.893 6.213 -27.691 26 HB2 SER 4 HB2 SER 4 -0.898 8.586 -28.640 27 HB3 SER 4 HB3 SER 4 -2.668 8.525 -28.567 28 HG SER 4 HG SER 4 -1.661 9.446 -26.676 29 H VAL 5 H VAL 5 -2.809 6.709 -26.022 30 HA VAL 5 HA VAL 5 -5.360 5.420 -26.782 31 HB VAL 5 HB VAL 5 -3.901 3.558 -26.139 32 HG11 VAL 5 HG11 VAL 5 -3.748 4.797 -23.359 33 HG12 VAL 5 HG12 VAL 5 -3.132 3.211 -23.858 34 HG13 VAL 5 HG13 VAL 5 -2.402 4.680 -24.514 35 HG21 VAL 5 HG21 VAL 5 -6.043 4.031 -24.041 36 HG22 VAL 5 HG22 VAL 5 -6.338 3.451 -25.703 37 HG23 VAL 5 HG23 VAL 5 -5.382 2.474 -24.578 38 H THR 6 H THR 6 -7.108 6.009 -25.531 39 HA THR 6 HA THR 6 -6.938 8.521 -24.161 40 HB THR 6 HB THR 6 -9.391 8.069 -23.692 41 HG1 THR 6 HG1 THR 6 -10.247 6.274 -24.833 42 HG21 THR 6 HG21 THR 6 -8.640 9.236 -25.754 43 HG22 THR 6 HG22 THR 6 -8.519 7.672 -26.590 44 HG23 THR 6 HG23 THR 6 -10.096 8.265 -26.022 45 HA PRO 7 HA PRO 7 -6.447 6.969 -19.969 46 HB2 PRO 7 HB2 PRO 7 -7.068 9.174 -18.502 47 HB3 PRO 7 HB3 PRO 7 -5.596 9.093 -19.519 48 HG2 PRO 7 HG2 PRO 7 -8.268 10.360 -20.209 49 HG3 PRO 7 HG3 PRO 7 -6.630 11.063 -20.390 50 HD2 PRO 7 HD2 PRO 7 -7.959 9.844 -22.457 51 HD3 PRO 7 HD3 PRO 7 -6.179 9.768 -22.293 52 H ILE 8 H ILE 8 -7.712 6.214 -18.227 53 HA ILE 8 HA ILE 8 -10.513 6.871 -17.901 54 HB ILE 8 HB ILE 8 -10.403 5.212 -19.870 55 HG12 ILE 8 HG12 ILE 8 -12.264 3.776 -19.083 56 HG13 ILE 8 HG13 ILE 8 -12.095 4.444 -17.467 57 HG21 ILE 8 HG21 ILE 8 -8.626 3.737 -18.930 58 HG22 ILE 8 HG22 ILE 8 -9.791 3.147 -17.722 59 HG23 ILE 8 HG23 ILE 8 -10.079 2.864 -19.444 60 HD11 ILE 8 HD11 ILE 8 -12.601 6.725 -18.432 61 HD12 ILE 8 HD12 ILE 8 -12.778 5.971 -20.027 62 HD13 ILE 8 HD13 ILE 8 -13.898 5.554 -18.715 63 H ARG 9 H ARG 9 -11.424 5.870 -15.945 64 HA ARG 9 HA ARG 9 -9.524 4.433 -14.173 65 HB2 ARG 9 HB2 ARG 9 -9.099 6.820 -13.744 66 HB3 ARG 9 HB3 ARG 9 -10.816 7.098 -13.454 67 HG2 ARG 9 HG2 ARG 9 -9.540 7.026 -11.366 68 HG3 ARG 9 HG3 ARG 9 -10.760 5.765 -11.423 69 HD2 ARG 9 HD2 ARG 9 -8.896 4.142 -12.138 70 HD3 ARG 9 HD3 ARG 9 -7.758 5.456 -11.857 71 HE ARG 9 HE ARG 9 -7.989 5.166 -9.562 72 HH11 ARG 9 HH11 ARG 9 -9.836 2.908 -7.750 73 HH12 ARG 9 HH12 ARG 9 -8.543 4.069 -7.722 74 HH21 ARG 9 HH21 ARG 9 -10.947 2.482 -9.588 75 HH22 ARG 9 HH22 ARG 9 -10.587 3.315 -11.077 76 H ASP 10 H ASP 10 -12.894 5.338 -14.834 77 HA ASP 10 HA ASP 10 -14.013 4.013 -12.564 78 HB2 ASP 10 HB2 ASP 10 -15.175 5.674 -14.031 79 HB3 ASP 10 HB3 ASP 10 -15.273 4.448 -15.298 80 H THR 11 H THR 11 -15.158 2.061 -12.433 81 HA THR 11 HA THR 11 -14.369 -0.184 -14.246 82 HB THR 11 HB THR 11 -14.228 -1.619 -12.178 83 HG1 THR 11 HG1 THR 11 -13.856 -0.490 -10.228 84 HG21 THR 11 HG21 THR 11 -11.964 -0.937 -11.538 85 HG22 THR 11 HG22 THR 11 -12.173 -0.841 -13.291 86 HG23 THR 11 HG23 THR 11 -12.193 0.645 -12.315 87 H LYS 12 H LYS 12 -16.948 1.534 -13.029 88 HA LYS 12 HA LYS 12 -18.880 -0.282 -12.191 89 HB2 LYS 12 HB2 LYS 12 -19.029 2.185 -12.266 90 HB3 LYS 12 HB3 LYS 12 -19.212 2.117 -14.030 91 HG2 LYS 12 HG2 LYS 12 -21.362 1.026 -13.832 92 HG3 LYS 12 HG3 LYS 12 -21.128 0.764 -12.098 93 HD2 LYS 12 HD2 LYS 12 -22.689 2.565 -12.471 94 HD3 LYS 12 HD3 LYS 12 -21.255 3.187 -11.669 95 HE2 LYS 12 HE2 LYS 12 -21.566 3.356 -14.694 96 HE3 LYS 12 HE3 LYS 12 -22.402 4.495 -13.642 97 HZ1 LYS 12 HZ1 LYS 12 -20.323 5.434 -14.301 98 HZ2 LYS 12 HZ2 LYS 12 -20.223 5.125 -12.704 99 HZ3 LYS 12 HZ3 LYS 12 -19.439 4.181 -13.793 100 H TRP 13 H TRP 13 -17.969 0.331 -15.585 101 HA TRP 13 HA TRP 13 -20.004 -1.435 -16.680 102 HB2 TRP 13 HB2 TRP 13 -19.433 -0.592 -18.648 103 HB3 TRP 13 HB3 TRP 13 -18.668 0.634 -17.696 104 HD1 TRP 13 HD1 TRP 13 -17.863 -2.499 -19.746 105 HE1 TRP 13 HE1 TRP 13 -15.529 -2.286 -20.767 106 HE3 TRP 13 HE3 TRP 13 -16.323 1.747 -17.334 107 HZ2 TRP 13 HZ2 TRP 13 -13.246 -0.544 -20.520 108 HZ3 TRP 13 HZ3 TRP 13 -14.053 2.648 -17.739 109 HH2 TRP 13 HH2 TRP 13 -12.495 1.499 -19.302 110 H LEU 14 H LEU 14 -16.836 -1.961 -15.439 111 HA LEU 14 HA LEU 14 -16.332 -4.528 -16.800 112 HB2 LEU 14 HB2 LEU 14 -14.787 -2.890 -14.740 113 HB3 LEU 14 HB3 LEU 14 -14.179 -4.345 -15.485 114 HG LEU 14 HG LEU 14 -14.898 -1.815 -17.021 115 HD11 LEU 14 HD11 LEU 14 -12.199 -2.898 -16.129 116 HD12 LEU 14 HD12 LEU 14 -12.475 -1.473 -17.172 117 HD13 LEU 14 HD13 LEU 14 -13.002 -1.454 -15.488 118 HD21 LEU 14 HD21 LEU 14 -13.582 -2.830 -18.839 119 HD22 LEU 14 HD22 LEU 14 -13.305 -4.278 -17.868 120 HD23 LEU 14 HD23 LEU 14 -14.946 -3.874 -18.429 121 H THR 15 H THR 15 -17.874 -3.552 -13.912 122 HA THR 15 HA THR 15 -17.045 -5.803 -12.262 123 HB THR 15 HB THR 15 -19.347 -3.925 -11.723 124 HG1 THR 15 HG1 THR 15 -17.309 -2.807 -12.114 125 HG21 THR 15 HG21 THR 15 -19.267 -5.771 -10.160 126 HG22 THR 15 HG22 THR 15 -17.514 -5.559 -9.918 127 HG23 THR 15 HG23 THR 15 -18.658 -4.329 -9.345 128 H LEU 16 H LEU 16 -17.536 -7.421 -13.836 129 HA LEU 16 HA LEU 16 -20.226 -8.105 -14.675 130 HB2 LEU 16 HB2 LEU 16 -17.948 -8.474 -15.809 131 HB3 LEU 16 HB3 LEU 16 -17.707 -9.804 -14.703 132 HG LEU 16 HG LEU 16 -19.480 -11.081 -15.694 133 HD11 LEU 16 HD11 LEU 16 -21.264 -9.448 -16.042 134 HD12 LEU 16 HD12 LEU 16 -20.273 -8.568 -17.235 135 HD13 LEU 16 HD13 LEU 16 -20.882 -10.200 -17.580 136 HD21 LEU 16 HD21 LEU 16 -17.406 -11.008 -17.009 137 HD22 LEU 16 HD22 LEU 16 -18.807 -11.033 -18.099 138 HD23 LEU 16 HD23 LEU 16 -17.944 -9.529 -17.836 139 H GLU 17 H GLU 17 -21.581 -9.811 -13.895 140 HA GLU 17 HA GLU 17 -21.256 -10.530 -11.107 141 HB2 GLU 17 HB2 GLU 17 -23.152 -11.754 -13.138 142 HB3 GLU 17 HB3 GLU 17 -23.224 -11.889 -11.376 143 HG2 GLU 17 HG2 GLU 17 -23.216 -9.169 -11.661 144 HG3 GLU 17 HG3 GLU 17 -24.006 -9.628 -13.163 145 H VAL 18 H VAL 18 -20.928 -12.571 -10.142 146 HA VAL 18 HA VAL 18 -19.164 -14.399 -11.665 147 HB VAL 18 HB VAL 18 -18.841 -15.617 -9.640 148 HG11 VAL 18 HG11 VAL 18 -17.748 -13.961 -8.262 149 HG12 VAL 18 HG12 VAL 18 -17.542 -13.548 -9.970 150 HG13 VAL 18 HG13 VAL 18 -18.714 -12.652 -8.969 151 HG21 VAL 18 HG21 VAL 18 -21.027 -15.593 -8.565 152 HG22 VAL 18 HG22 VAL 18 -19.813 -14.945 -7.456 153 HG23 VAL 18 HG23 VAL 18 -20.920 -13.850 -8.298 154 H CYS 19 H CYS 19 -19.687 -16.631 -12.107 155 HA CYS 19 HA CYS 19 -22.451 -17.068 -12.731 156 HB2 CYS 19 HB2 CYS 19 -20.558 -18.099 -13.962 157 HB3 CYS 19 HB3 CYS 19 -20.218 -19.096 -12.548 158 H ARG 20 H ARG 20 -24.027 -17.932 -11.701 159 HA ARG 20 HA ARG 20 -24.000 -18.274 -8.829 160 HB2 ARG 20 HB2 ARG 20 -26.173 -18.891 -10.883 161 HB3 ARG 20 HB3 ARG 20 -26.379 -18.870 -9.141 162 HG2 ARG 20 HG2 ARG 20 -27.252 -16.819 -9.840 163 HG3 ARG 20 HG3 ARG 20 -25.683 -16.410 -9.154 164 HD2 ARG 20 HD2 ARG 20 -24.731 -16.127 -11.398 165 HD3 ARG 20 HD3 ARG 20 -26.198 -16.748 -12.149 166 HE ARG 20 HE ARG 20 -25.662 -14.058 -11.146 167 HH11 ARG 20 HH11 ARG 20 -28.679 -12.797 -12.134 168 HH12 ARG 20 HH12 ARG 20 -27.031 -12.429 -11.682 169 HH21 ARG 20 HH21 ARG 20 -29.379 -14.875 -12.325 170 HH22 ARG 20 HH22 ARG 20 -28.314 -16.205 -11.964 171 H GLU 21 H GLU 21 -23.936 -20.549 -11.532 172 HA GLU 21 HA GLU 21 -24.423 -22.898 -9.843 173 HB2 GLU 21 HB2 GLU 21 -23.364 -22.660 -12.683 174 HB3 GLU 21 HB3 GLU 21 -23.859 -24.159 -11.897 175 HG2 GLU 21 HG2 GLU 21 -25.693 -21.803 -12.544 176 HG3 GLU 21 HG3 GLU 21 -25.563 -23.289 -13.467 177 H PHE 22 H PHE 22 -21.621 -21.183 -11.191 178 HA PHE 22 HA PHE 22 -19.572 -23.047 -10.480 179 HB2 PHE 22 HB2 PHE 22 -19.396 -21.174 -12.056 180 HB3 PHE 22 HB3 PHE 22 -19.546 -20.032 -10.745 181 HD1 PHE 22 HD1 PHE 22 -17.641 -19.434 -9.375 182 HD2 PHE 22 HD2 PHE 22 -17.331 -22.508 -12.377 183 HE1 PHE 22 HE1 PHE 22 -15.165 -19.300 -9.251 184 HE2 PHE 22 HE2 PHE 22 -14.851 -22.400 -12.226 185 HZ PHE 22 HZ PHE 22 -13.766 -20.787 -10.670 186 H GLN 23 H GLN 23 -21.414 -20.712 -8.543 187 HA GLN 23 HA GLN 23 -19.605 -20.694 -6.286 188 HB2 GLN 23 HB2 GLN 23 -22.624 -20.263 -6.212 189 HB3 GLN 23 HB3 GLN 23 -21.473 -19.863 -4.951 190 HG2 GLN 23 HG2 GLN 23 -21.945 -18.490 -7.579 191 HG3 GLN 23 HG3 GLN 23 -21.970 -17.813 -5.970 192 HE21 GLN 23 HE21 GLN 23 -20.100 -18.143 -8.774 193 HE22 GLN 23 HE22 GLN 23 -18.550 -17.647 -8.071 194 H ARG 24 H ARG 24 -21.745 -23.086 -7.462 195 HA ARG 24 HA ARG 24 -21.484 -24.744 -4.978 196 HB2 ARG 24 HB2 ARG 24 -23.609 -24.850 -7.178 197 HB3 ARG 24 HB3 ARG 24 -23.444 -26.008 -5.865 198 HG2 ARG 24 HG2 ARG 24 -25.089 -24.703 -5.018 199 HG3 ARG 24 HG3 ARG 24 -23.677 -23.950 -4.274 200 HD2 ARG 24 HD2 ARG 24 -23.743 -22.187 -6.058 201 HD3 ARG 24 HD3 ARG 24 -25.165 -22.972 -6.759 202 HE ARG 24 HE ARG 24 -25.753 -22.505 -4.045 203 HH11 ARG 24 HH11 ARG 24 -26.064 -19.166 -6.203 204 HH12 ARG 24 HH12 ARG 24 -25.127 -20.491 -6.857 205 HH21 ARG 24 HH21 ARG 24 -27.054 -19.333 -4.255 206 HH22 ARG 24 HH22 ARG 24 -26.927 -20.781 -3.300 207 H GLY 25 H GLY 25 -19.777 -24.281 -7.598 208 HA2 GLY 25 HA2 GLY 25 -18.335 -25.488 -8.884 209 HA3 GLY 25 HA3 GLY 25 -18.435 -26.747 -7.647 210 H THR 26 H THR 26 -21.116 -25.632 -9.743 211 HA THR 26 HA THR 26 -21.082 -28.275 -11.149 212 HB THR 26 HB THR 26 -22.577 -28.261 -9.180 213 HG1 THR 26 HG1 THR 26 -23.749 -28.567 -11.724 214 HG21 THR 26 HG21 THR 26 -24.289 -26.313 -10.773 215 HG22 THR 26 HG22 THR 26 -24.741 -27.150 -9.272 216 HG23 THR 26 HG23 THR 26 -23.431 -25.964 -9.257 217 H CYS 27 H CYS 27 -20.575 -25.236 -11.962 218 HA CYS 27 HA CYS 27 -22.496 -24.708 -14.007 219 HB2 CYS 27 HB2 CYS 27 -20.945 -23.008 -13.046 220 HB3 CYS 27 HB3 CYS 27 -19.587 -23.803 -13.860 221 H SER 28 H SER 28 -22.586 -25.232 -16.143 222 HA SER 28 HA SER 28 -21.233 -27.694 -17.004 223 HB2 SER 28 HB2 SER 28 -22.965 -27.684 -18.769 224 HB3 SER 28 HB3 SER 28 -23.644 -27.561 -17.141 225 HG SER 28 HG SER 28 -24.611 -26.065 -18.590 226 H ARG 29 H ARG 29 -20.327 -24.504 -17.399 227 HA ARG 29 HA ARG 29 -19.068 -24.995 -20.093 228 HB2 ARG 29 HB2 ARG 29 -20.447 -22.521 -18.994 229 HB3 ARG 29 HB3 ARG 29 -19.397 -22.531 -20.405 230 HG2 ARG 29 HG2 ARG 29 -20.904 -24.193 -21.513 231 HG3 ARG 29 HG3 ARG 29 -22.016 -24.076 -20.128 232 HD2 ARG 29 HD2 ARG 29 -22.321 -21.676 -20.530 233 HD3 ARG 29 HD3 ARG 29 -21.084 -21.731 -21.797 234 HE ARG 29 HE ARG 29 -23.468 -23.434 -22.171 235 HH11 ARG 29 HH11 ARG 29 -21.825 -20.455 -23.136 236 HH12 ARG 29 HH12 ARG 29 -22.793 -20.319 -24.578 237 HH21 ARG 29 HH21 ARG 29 -24.362 -21.773 -25.045 238 HH22 ARG 29 HH22 ARG 29 -24.651 -23.149 -24.024 239 HA PRO 30 HA PRO 30 -15.322 -23.551 -17.999 240 HB2 PRO 30 HB2 PRO 30 -13.760 -22.921 -20.153 241 HB3 PRO 30 HB3 PRO 30 -14.138 -24.613 -19.706 242 HG2 PRO 30 HG2 PRO 30 -15.522 -22.882 -21.779 243 HG3 PRO 30 HG3 PRO 30 -14.900 -24.551 -21.976 244 HD2 PRO 30 HD2 PRO 30 -17.524 -24.082 -21.426 245 HD3 PRO 30 HD3 PRO 30 -16.666 -25.460 -20.698 246 H ASP 31 H ASP 31 -14.039 -21.460 -17.909 247 HA ASP 31 HA ASP 31 -15.656 -19.161 -17.677 248 HB2 ASP 31 HB2 ASP 31 -13.633 -17.943 -17.338 249 HB3 ASP 31 HB3 ASP 31 -13.459 -19.522 -16.570 250 H THR 32 H THR 32 -13.915 -20.308 -20.480 251 HA THR 32 HA THR 32 -14.100 -17.920 -22.074 252 HB THR 32 HB THR 32 -13.538 -19.505 -23.977 253 HG1 THR 32 HG1 THR 32 -12.920 -21.580 -23.337 254 HG21 THR 32 HG21 THR 32 -11.722 -19.626 -21.534 255 HG22 THR 32 HG22 THR 32 -11.250 -19.888 -23.229 256 HG23 THR 32 HG23 THR 32 -11.799 -18.289 -22.703 257 H GLU 33 H GLU 33 -16.501 -20.236 -21.305 258 HA GLU 33 HA GLU 33 -18.183 -19.536 -23.709 259 HB2 GLU 33 HB2 GLU 33 -17.743 -22.084 -22.140 260 HB3 GLU 33 HB3 GLU 33 -19.155 -21.923 -23.133 261 HG2 GLU 33 HG2 GLU 33 -16.260 -21.769 -24.096 262 HG3 GLU 33 HG3 GLU 33 -17.335 -23.150 -24.262 263 H CYS 34 H CYS 34 -18.150 -19.749 -20.186 264 HA CYS 34 HA CYS 34 -20.876 -20.074 -19.713 265 HB2 CYS 34 HB2 CYS 34 -18.977 -20.348 -18.145 266 HB3 CYS 34 HB3 CYS 34 -18.864 -18.587 -17.990 267 H LYS 35 H LYS 35 -22.292 -18.613 -18.586 268 HA LYS 35 HA LYS 35 -22.870 -16.228 -20.187 269 HB2 LYS 35 HB2 LYS 35 -24.862 -16.449 -18.173 270 HB3 LYS 35 HB3 LYS 35 -24.983 -16.720 -19.896 271 HG2 LYS 35 HG2 LYS 35 -25.888 -18.631 -18.860 272 HG3 LYS 35 HG3 LYS 35 -24.335 -19.120 -19.519 273 HD2 LYS 35 HD2 LYS 35 -23.583 -18.390 -16.966 274 HD3 LYS 35 HD3 LYS 35 -25.256 -18.879 -16.660 275 HE2 LYS 35 HE2 LYS 35 -24.833 -21.080 -17.660 276 HE3 LYS 35 HE3 LYS 35 -23.249 -20.501 -18.240 277 HZ1 LYS 35 HZ1 LYS 35 -22.460 -20.331 -16.020 278 HZ2 LYS 35 HZ2 LYS 35 -23.842 -20.737 -15.326 279 HZ3 LYS 35 HZ3 LYS 35 -22.905 -21.806 -16.189 280 H PHE 36 H PHE 36 -21.260 -16.868 -17.311 281 HA PHE 36 HA PHE 36 -21.202 -14.004 -16.495 282 HB2 PHE 36 HB2 PHE 36 -21.676 -16.372 -14.681 283 HB3 PHE 36 HB3 PHE 36 -21.469 -14.721 -14.133 284 HD1 PHE 36 HD1 PHE 36 -23.204 -12.963 -15.179 285 HD2 PHE 36 HD2 PHE 36 -23.850 -17.209 -14.818 286 HE1 PHE 36 HE1 PHE 36 -25.663 -12.594 -15.237 287 HE2 PHE 36 HE2 PHE 36 -26.308 -16.842 -14.905 288 HZ PHE 36 HZ PHE 36 -27.216 -14.534 -15.108 289 H ALA 37 H ALA 37 -19.409 -13.828 -14.606 290 HA ALA 37 HA ALA 37 -16.961 -14.856 -15.828 291 HB1 ALA 37 HB1 ALA 37 -17.219 -12.511 -15.100 292 HB2 ALA 37 HB2 ALA 37 -17.499 -13.061 -13.438 293 HB3 ALA 37 HB3 ALA 37 -15.916 -13.324 -14.213 294 H HIS 38 H HIS 38 -15.317 -16.034 -14.795 295 HA HIS 38 HA HIS 38 -16.033 -17.666 -12.394 296 HB2 HIS 38 HB2 HIS 38 -14.705 -18.562 -14.972 297 HB3 HIS 38 HB3 HIS 38 -14.637 -19.480 -13.468 298 HD1 HIS 38 HD1 HIS 38 -16.012 -20.679 -16.076 299 HD2 HIS 38 HD2 HIS 38 -17.970 -18.642 -12.961 300 HE1 HIS 38 HE1 HIS 38 -18.487 -21.293 -16.239 301 HA PRO 39 HA PRO 39 -12.140 -15.382 -11.404 302 HB2 PRO 39 HB2 PRO 39 -12.462 -15.393 -8.651 303 HB3 PRO 39 HB3 PRO 39 -13.199 -14.201 -9.750 304 HG2 PRO 39 HG2 PRO 39 -14.432 -16.701 -8.578 305 HG3 PRO 39 HG3 PRO 39 -15.142 -15.058 -8.673 306 HD2 PRO 39 HD2 PRO 39 -15.767 -17.003 -10.452 307 HD3 PRO 39 HD3 PRO 39 -15.613 -15.299 -10.974 308 H SER 40 H SER 40 -10.263 -15.873 -10.045 309 HA SER 40 HA SER 40 -9.857 -18.761 -9.391 310 HB2 SER 40 HB2 SER 40 -7.653 -18.678 -10.304 311 HB3 SER 40 HB3 SER 40 -8.764 -18.076 -11.555 312 HG SER 40 HG SER 40 -6.948 -16.720 -11.367 313 H LYS 41 H LYS 41 -7.489 -18.765 -8.297 314 HA LYS 41 HA LYS 41 -7.758 -18.079 -5.620 315 HB2 LYS 41 HB2 LYS 41 -5.300 -18.553 -7.350 316 HB3 LYS 41 HB3 LYS 41 -5.223 -18.479 -5.591 317 HG2 LYS 41 HG2 LYS 41 -6.756 -20.524 -7.257 318 HG3 LYS 41 HG3 LYS 41 -5.247 -20.790 -6.399 319 HD2 LYS 41 HD2 LYS 41 -7.965 -20.247 -5.126 320 HD3 LYS 41 HD3 LYS 41 -7.107 -21.786 -5.197 321 HE2 LYS 41 HE2 LYS 41 -5.241 -20.808 -3.856 322 HE3 LYS 41 HE3 LYS 41 -6.139 -19.289 -3.733 323 HZ1 LYS 41 HZ1 LYS 41 -7.070 -21.906 -2.678 324 HZ2 LYS 41 HZ2 LYS 41 -6.491 -20.677 -1.778 325 HZ3 LYS 41 HZ3 LYS 41 -7.906 -20.506 -2.570 326 H SER 42 H SER 42 -6.560 -15.856 -8.080 327 HA SER 42 HA SER 42 -5.743 -13.947 -5.908 328 HB2 SER 42 HB2 SER 42 -4.994 -13.851 -8.842 329 HB3 SER 42 HB3 SER 42 -4.406 -12.781 -7.554 330 HG SER 42 HG SER 42 -2.937 -14.501 -8.003 331 H CYS 43 H CYS 43 -8.211 -14.351 -8.363 332 HA CYS 43 HA CYS 43 -8.753 -11.625 -8.892 333 HB2 CYS 43 HB2 CYS 43 -10.670 -13.970 -8.978 334 HB3 CYS 43 HB3 CYS 43 -10.879 -12.406 -9.772 335 HG CYS 43 HG CYS 43 -8.556 -12.591 -11.155 336 H GLN 44 H GLN 44 -9.942 -10.080 -7.972 337 HA GLN 44 HA GLN 44 -10.849 -10.393 -5.199 338 HB2 GLN 44 HB2 GLN 44 -9.434 -8.522 -6.064 339 HB3 GLN 44 HB3 GLN 44 -10.795 -7.965 -7.044 340 HG2 GLN 44 HG2 GLN 44 -12.096 -7.490 -5.029 341 HG3 GLN 44 HG3 GLN 44 -10.855 -8.230 -4.005 342 HE21 GLN 44 HE21 GLN 44 -12.010 -5.226 -4.700 343 HE22 GLN 44 HE22 GLN 44 -10.486 -4.345 -4.610 344 H VAL 45 H VAL 45 -12.886 -10.676 -4.612 345 HA VAL 45 HA VAL 45 -15.142 -10.361 -6.570 346 HB VAL 45 HB VAL 45 -15.019 -12.324 -4.275 347 HG11 VAL 45 HG11 VAL 45 -17.300 -11.756 -4.992 348 HG12 VAL 45 HG12 VAL 45 -16.882 -12.145 -6.673 349 HG13 VAL 45 HG13 VAL 45 -16.912 -13.418 -5.436 350 HG21 VAL 45 HG21 VAL 45 -14.673 -14.154 -5.843 351 HG22 VAL 45 HG22 VAL 45 -14.490 -13.013 -7.179 352 HG23 VAL 45 HG23 VAL 45 -13.298 -13.053 -5.867 353 H GLU 46 H GLU 46 -16.828 -9.143 -5.914 354 HA GLU 46 HA GLU 46 -17.214 -8.432 -3.043 355 HB2 GLU 46 HB2 GLU 46 -16.805 -6.447 -5.320 356 HB3 GLU 46 HB3 GLU 46 -17.501 -6.033 -3.749 357 HG2 GLU 46 HG2 GLU 46 -15.424 -6.697 -2.607 358 HG3 GLU 46 HG3 GLU 46 -14.710 -7.197 -4.142 359 H ASN 47 H ASN 47 -19.297 -8.450 -2.508 360 HA ASN 47 HA ASN 47 -21.497 -8.912 -2.620 361 HB2 ASN 47 HB2 ASN 47 -21.023 -6.347 -3.019 362 HB3 ASN 47 HB3 ASN 47 -21.729 -6.651 -4.605 363 HD21 ASN 47 HD21 ASN 47 -23.959 -7.854 -4.450 364 HD22 ASN 47 HD22 ASN 47 -25.031 -7.268 -3.169 365 H GLY 48 H GLY 48 -20.216 -10.697 -4.411 366 HA2 GLY 48 HA2 GLY 48 -21.023 -12.401 -5.794 367 HA3 GLY 48 HA3 GLY 48 -22.535 -11.511 -6.010 368 H ARG 49 H ARG 49 -19.586 -9.804 -6.689 369 HA ARG 49 HA ARG 49 -19.685 -10.321 -9.612 370 HB2 ARG 49 HB2 ARG 49 -19.673 -7.507 -8.437 371 HB3 ARG 49 HB3 ARG 49 -19.731 -7.987 -10.139 372 HG2 ARG 49 HG2 ARG 49 -21.965 -9.093 -9.661 373 HG3 ARG 49 HG3 ARG 49 -21.931 -8.342 -8.062 374 HD2 ARG 49 HD2 ARG 49 -21.939 -6.130 -9.023 375 HD3 ARG 49 HD3 ARG 49 -21.739 -6.787 -10.664 376 HE ARG 49 HE ARG 49 -24.015 -8.040 -9.961 377 HH11 ARG 49 HH11 ARG 49 -25.018 -4.203 -9.837 378 HH12 ARG 49 HH12 ARG 49 -23.332 -4.605 -9.640 379 HH21 ARG 49 HH21 ARG 49 -25.966 -7.514 -10.240 380 HH22 ARG 49 HH22 ARG 49 -26.532 -5.843 -10.165 381 H VAL 50 H VAL 50 -17.867 -9.411 -10.733 382 HA VAL 50 HA VAL 50 -15.330 -9.179 -9.169 383 HB VAL 50 HB VAL 50 -14.300 -10.627 -10.978 384 HG11 VAL 50 HG11 VAL 50 -16.160 -11.852 -8.931 385 HG12 VAL 50 HG12 VAL 50 -14.905 -12.744 -9.807 386 HG13 VAL 50 HG13 VAL 50 -14.455 -11.407 -8.740 387 HG21 VAL 50 HG21 VAL 50 -17.152 -11.644 -11.383 388 HG22 VAL 50 HG22 VAL 50 -16.162 -10.812 -12.595 389 HG23 VAL 50 HG23 VAL 50 -15.674 -12.399 -11.981 390 H ILE 51 H ILE 51 -13.860 -7.769 -10.127 391 HA ILE 51 HA ILE 51 -14.896 -6.126 -12.372 392 HB ILE 51 HB ILE 51 -12.571 -5.725 -10.466 393 HG12 ILE 51 HG12 ILE 51 -15.351 -4.532 -10.658 394 HG13 ILE 51 HG13 ILE 51 -14.755 -5.598 -9.390 395 HG21 ILE 51 HG21 ILE 51 -12.438 -3.444 -11.434 396 HG22 ILE 51 HG22 ILE 51 -12.135 -4.634 -12.679 397 HG23 ILE 51 HG23 ILE 51 -13.726 -3.850 -12.593 398 HD11 ILE 51 HD11 ILE 51 -13.913 -2.728 -9.860 399 HD12 ILE 51 HD12 ILE 51 -14.859 -3.391 -8.523 400 HD13 ILE 51 HD13 ILE 51 -13.143 -3.831 -8.687 401 H ALA 52 H ALA 52 -14.143 -6.261 -14.426 402 HA ALA 52 HA ALA 52 -12.226 -8.303 -15.150 403 HB1 ALA 52 HB1 ALA 52 -12.723 -7.543 -17.459 404 HB2 ALA 52 HB2 ALA 52 -14.193 -7.854 -16.511 405 HB3 ALA 52 HB3 ALA 52 -13.662 -6.189 -16.793 406 H CYS 53 H CYS 53 -10.230 -8.054 -16.258 407 HA CYS 53 HA CYS 53 -8.489 -6.058 -15.164 408 HB2 CYS 53 HB2 CYS 53 -8.049 -8.562 -15.855 409 HB3 CYS 53 HB3 CYS 53 -7.723 -7.893 -17.443 410 H PHE 54 H PHE 54 -9.140 -4.037 -15.760 411 HA PHE 54 HA PHE 54 -9.784 -3.085 -18.344 412 HB2 PHE 54 HB2 PHE 54 -9.109 -0.833 -17.432 413 HB3 PHE 54 HB3 PHE 54 -10.291 -1.701 -16.487 414 HD1 PHE 54 HD1 PHE 54 -6.765 -0.577 -16.562 415 HD2 PHE 54 HD2 PHE 54 -9.862 -2.486 -14.244 416 HE1 PHE 54 HE1 PHE 54 -5.330 -0.449 -14.551 417 HE2 PHE 54 HE2 PHE 54 -8.456 -2.315 -12.219 418 HZ PHE 54 HZ PHE 54 -6.177 -1.301 -12.358 419 H ASP 55 H ASP 55 -6.592 -3.495 -16.822 420 HA ASP 55 HA ASP 55 -5.068 -2.130 -18.826 421 HB2 ASP 55 HB2 ASP 55 -4.336 -4.404 -16.944 422 HB3 ASP 55 HB3 ASP 55 -3.192 -3.558 -17.979 423 H SER 56 H SER 56 -6.392 -5.474 -18.763 424 HA SER 56 HA SER 56 -4.873 -6.328 -21.089 425 HB2 SER 56 HB2 SER 56 -5.677 -7.980 -19.556 426 HB3 SER 56 HB3 SER 56 -7.349 -7.475 -19.742 427 HG SER 56 HG SER 56 -5.673 -8.688 -21.704 428 H LEU 57 H LEU 57 -8.126 -4.929 -20.610 429 HA LEU 57 HA LEU 57 -8.918 -4.996 -23.393 430 HB2 LEU 57 HB2 LEU 57 -9.809 -3.441 -20.938 431 HB3 LEU 57 HB3 LEU 57 -10.523 -3.123 -22.516 432 HG LEU 57 HG LEU 57 -10.484 -5.893 -21.270 433 HD11 LEU 57 HD11 LEU 57 -12.674 -3.780 -21.168 434 HD12 LEU 57 HD12 LEU 57 -12.823 -5.463 -20.609 435 HD13 LEU 57 HD13 LEU 57 -11.702 -4.361 -19.796 436 HD21 LEU 57 HD21 LEU 57 -10.897 -5.898 -23.701 437 HD22 LEU 57 HD22 LEU 57 -12.400 -6.264 -22.847 438 HD23 LEU 57 HD23 LEU 57 -12.139 -4.641 -23.513 439 H LYS 58 H LYS 58 -7.302 -2.492 -21.425 440 HA LYS 58 HA LYS 58 -7.220 -0.558 -23.632 441 HB2 LYS 58 HB2 LYS 58 -5.971 -0.560 -20.853 442 HB3 LYS 58 HB3 LYS 58 -5.922 0.807 -21.954 443 HG2 LYS 58 HG2 LYS 58 -8.491 -0.434 -20.867 444 HG3 LYS 58 HG3 LYS 58 -7.685 0.958 -20.167 445 HD2 LYS 58 HD2 LYS 58 -8.820 0.875 -23.001 446 HD3 LYS 58 HD3 LYS 58 -9.671 1.485 -21.582 447 HE2 LYS 58 HE2 LYS 58 -7.859 3.155 -21.205 448 HE3 LYS 58 HE3 LYS 58 -7.046 2.592 -22.667 449 HZ1 LYS 58 HZ1 LYS 58 -8.967 3.322 -23.960 450 HZ2 LYS 58 HZ2 LYS 58 -9.785 3.756 -22.613 451 HZ3 LYS 58 HZ3 LYS 58 -8.441 4.571 -23.042 452 H GLY 59 H GLY 59 -5.294 -3.234 -23.001 453 HA2 GLY 59 HA2 GLY 59 -3.437 -3.997 -24.166 454 HA3 GLY 59 HA3 GLY 59 -3.357 -2.469 -25.047 455 H ARG 60 H ARG 60 -3.220 -3.006 -21.546 456 HA ARG 60 HA ARG 60 -0.413 -1.958 -21.385 457 HB2 ARG 60 HB2 ARG 60 -2.270 -0.326 -20.857 458 HB3 ARG 60 HB3 ARG 60 -2.740 -1.351 -19.498 459 HG2 ARG 60 HG2 ARG 60 -0.657 -0.911 -18.350 460 HG3 ARG 60 HG3 ARG 60 0.054 -0.172 -19.799 461 HD2 ARG 60 HD2 ARG 60 -0.570 1.568 -18.238 462 HD3 ARG 60 HD3 ARG 60 -1.611 1.664 -19.670 463 HE ARG 60 HE ARG 60 -2.834 0.025 -17.613 464 HH11 ARG 60 HH11 ARG 60 -4.948 2.266 -16.311 465 HH12 ARG 60 HH12 ARG 60 -4.435 0.584 -16.520 466 HH21 ARG 60 HH21 ARG 60 -3.736 3.882 -17.336 467 HH22 ARG 60 HH22 ARG 60 -2.344 3.442 -18.291 468 H CYS 61 H CYS 61 -2.531 -4.531 -20.364 469 HA CYS 61 HA CYS 61 -1.370 -5.095 -17.869 470 HB2 CYS 61 HB2 CYS 61 -3.540 -5.994 -18.878 471 HB3 CYS 61 HB3 CYS 61 -2.567 -7.232 -19.665 472 H SER 62 H SER 62 0.282 -6.108 -17.147 473 HA SER 62 HA SER 62 2.073 -7.832 -18.755 474 HB2 SER 62 HB2 SER 62 4.065 -6.568 -18.071 475 HB3 SER 62 HB3 SER 62 2.973 -5.561 -19.032 476 HG SER 62 HG SER 62 3.740 -4.458 -17.168 477 H ARG 63 H ARG 63 0.241 -7.622 -16.144 478 HA ARG 63 HA ARG 63 1.897 -8.481 -13.924 479 HB2 ARG 63 HB2 ARG 63 -1.054 -8.180 -14.549 480 HB3 ARG 63 HB3 ARG 63 -0.593 -9.143 -13.154 481 HG2 ARG 63 HG2 ARG 63 0.661 -7.259 -12.211 482 HG3 ARG 63 HG3 ARG 63 0.206 -6.236 -13.579 483 HD2 ARG 63 HD2 ARG 63 -1.932 -7.665 -11.946 484 HD3 ARG 63 HD3 ARG 63 -1.169 -6.227 -11.302 485 HE ARG 63 HE ARG 63 -1.972 -4.895 -13.166 486 HH11 ARG 63 HH11 ARG 63 -4.666 -7.467 -14.345 487 HH12 ARG 63 HH12 ARG 63 -3.434 -8.127 -13.474 488 HH21 ARG 63 HH21 ARG 63 -4.817 -5.713 -14.946 489 HH22 ARG 63 HH22 ARG 63 -3.752 -4.359 -14.558 490 H GLU 64 H GLU 64 1.407 -10.389 -12.735 491 HA GLU 64 HA GLU 64 0.774 -12.879 -14.229 492 HB2 GLU 64 HB2 GLU 64 2.726 -14.018 -13.311 493 HB3 GLU 64 HB3 GLU 64 3.207 -12.660 -14.322 494 HG2 GLU 64 HG2 GLU 64 3.646 -11.285 -12.300 495 HG3 GLU 64 HG3 GLU 64 3.134 -12.619 -11.269 496 H ASN 65 H ASN 65 -0.321 -10.996 -12.071 497 HA ASN 65 HA ASN 65 -1.285 -12.996 -10.113 498 HB2 ASN 65 HB2 ASN 65 -0.731 -11.492 -8.289 499 HB3 ASN 65 HB3 ASN 65 0.750 -11.847 -9.185 500 HD21 ASN 65 HD21 ASN 65 0.326 -9.615 -7.383 501 HD22 ASN 65 HD22 ASN 65 0.491 -8.169 -8.369 502 H CYS 66 H CYS 66 -2.453 -11.265 -12.459 503 HA CYS 66 HA CYS 66 -3.914 -9.140 -11.718 504 HB2 CYS 66 HB2 CYS 66 -4.961 -11.418 -13.475 505 HB3 CYS 66 HB3 CYS 66 -5.541 -9.762 -13.483 506 H LYS 67 H LYS 67 -5.160 -8.611 -10.207 507 HA LYS 67 HA LYS 67 -6.895 -10.490 -8.769 508 HB2 LYS 67 HB2 LYS 67 -6.961 -7.482 -8.474 509 HB3 LYS 67 HB3 LYS 67 -7.391 -8.738 -7.304 510 HG2 LYS 67 HG2 LYS 67 -4.907 -9.408 -7.318 511 HG3 LYS 67 HG3 LYS 67 -4.605 -7.889 -8.192 512 HD2 LYS 67 HD2 LYS 67 -5.950 -8.185 -5.485 513 HD3 LYS 67 HD3 LYS 67 -4.271 -7.684 -5.759 514 HE2 LYS 67 HE2 LYS 67 -4.876 -5.591 -6.650 515 HE3 LYS 67 HE3 LYS 67 -6.515 -6.104 -7.053 516 HZ1 LYS 67 HZ1 LYS 67 -7.145 -6.045 -4.781 517 HZ2 LYS 67 HZ2 LYS 67 -5.602 -5.791 -4.255 518 HZ3 LYS 67 HZ3 LYS 67 -6.399 -4.634 -5.090 519 H TYR 68 H TYR 68 -7.149 -9.218 -11.689 520 HA TYR 68 HA TYR 68 -10.065 -8.683 -11.623 521 HB2 TYR 68 HB2 TYR 68 -7.915 -7.422 -13.361 522 HB3 TYR 68 HB3 TYR 68 -9.626 -6.999 -13.309 523 HD1 TYR 68 HD1 TYR 68 -6.356 -6.438 -11.781 524 HD2 TYR 68 HD2 TYR 68 -10.602 -5.987 -11.248 525 HE1 TYR 68 HE1 TYR 68 -5.954 -4.805 -9.941 526 HE2 TYR 68 HE2 TYR 68 -10.215 -4.352 -9.411 527 HH TYR 68 HH TYR 68 -8.637 -3.256 -8.139 528 H LEU 69 H LEU 69 -11.263 -9.487 -13.292 529 HA LEU 69 HA LEU 69 -10.342 -11.982 -14.416 530 HB2 LEU 69 HB2 LEU 69 -12.888 -10.360 -14.426 531 HB3 LEU 69 HB3 LEU 69 -12.714 -11.583 -15.661 532 HG LEU 69 HG LEU 69 -13.952 -12.285 -13.624 533 HD11 LEU 69 HD11 LEU 69 -11.464 -13.925 -14.257 534 HD12 LEU 69 HD12 LEU 69 -12.969 -14.516 -13.525 535 HD13 LEU 69 HD13 LEU 69 -12.975 -13.920 -15.191 536 HD21 LEU 69 HD21 LEU 69 -11.240 -12.477 -12.283 537 HD22 LEU 69 HD22 LEU 69 -12.411 -11.198 -11.942 538 HD23 LEU 69 HD23 LEU 69 -12.825 -12.890 -11.602 539 H HIS 70 H HIS 70 -9.128 -12.233 -16.260 540 HA HIS 70 HA HIS 70 -8.977 -10.172 -18.326 541 HB2 HIS 70 HB2 HIS 70 -7.986 -13.003 -18.080 542 HB3 HIS 70 HB3 HIS 70 -8.136 -12.285 -19.682 543 HD1 HIS 70 HD1 HIS 70 -5.689 -11.730 -20.312 544 HD2 HIS 70 HD2 HIS 70 -6.860 -10.395 -16.495 545 HE1 HIS 70 HE1 HIS 70 -3.827 -10.197 -19.468 546 HA PRO 71 HA PRO 71 -13.090 -11.132 -19.523 547 HB2 PRO 71 HB2 PRO 71 -13.471 -9.596 -21.725 548 HB3 PRO 71 HB3 PRO 71 -13.259 -8.966 -20.066 549 HG2 PRO 71 HG2 PRO 71 -11.108 -9.221 -22.182 550 HG3 PRO 71 HG3 PRO 71 -11.566 -7.789 -21.203 551 HD2 PRO 71 HD2 PRO 71 -9.531 -9.412 -20.442 552 HD3 PRO 71 HD3 PRO 71 -10.642 -8.695 -19.238 553 HA PRO 72 HA PRO 72 -12.420 -14.478 -22.492 554 HB2 PRO 72 HB2 PRO 72 -14.708 -15.898 -22.064 555 HB3 PRO 72 HB3 PRO 72 -13.359 -15.860 -20.877 556 HG2 PRO 72 HG2 PRO 72 -15.923 -14.268 -20.898 557 HG3 PRO 72 HG3 PRO 72 -15.165 -15.112 -19.514 558 HD2 PRO 72 HD2 PRO 72 -14.862 -12.418 -19.966 559 HD3 PRO 72 HD3 PRO 72 -13.602 -13.422 -19.195 560 HA PRO 73 HA PRO 73 -14.386 -13.134 -26.238 561 HB2 PRO 73 HB2 PRO 73 -15.043 -16.056 -26.683 562 HB3 PRO 73 HB3 PRO 73 -14.399 -14.856 -27.849 563 HG2 PRO 73 HG2 PRO 73 -12.723 -16.600 -26.648 564 HG3 PRO 73 HG3 PRO 73 -12.256 -14.874 -26.787 565 HD2 PRO 73 HD2 PRO 73 -13.351 -16.341 -24.385 566 HD3 PRO 73 HD3 PRO 73 -12.051 -15.112 -24.484 567 H HIS 74 H HIS 74 -16.390 -15.578 -24.507 568 HA HIS 74 HA HIS 74 -18.863 -14.693 -25.702 569 HB2 HIS 74 HB2 HIS 74 -18.347 -16.998 -24.786 570 HB3 HIS 74 HB3 HIS 74 -18.486 -16.334 -23.159 571 HD1 HIS 74 HD1 HIS 74 -20.864 -16.737 -22.205 572 HD2 HIS 74 HD2 HIS 74 -20.727 -16.350 -26.409 573 HE1 HIS 74 HE1 HIS 74 -23.295 -17.005 -23.044 574 HE2 HIS 74 HE2 HIS 74 -23.195 -16.770 -25.610 575 H LEU 75 H LEU 75 -17.076 -13.251 -23.151 576 HA LEU 75 HA LEU 75 -19.491 -11.697 -22.272 577 HB2 LEU 75 HB2 LEU 75 -16.910 -12.214 -20.790 578 HB3 LEU 75 HB3 LEU 75 -18.218 -11.204 -20.220 579 HG LEU 75 HG LEU 75 -18.528 -14.184 -20.797 580 HD11 LEU 75 HD11 LEU 75 -18.583 -13.153 -17.980 581 HD12 LEU 75 HD12 LEU 75 -18.143 -14.730 -18.636 582 HD13 LEU 75 HD13 LEU 75 -17.006 -13.381 -18.756 583 HD21 LEU 75 HD21 LEU 75 -20.352 -12.176 -19.405 584 HD22 LEU 75 HD22 LEU 75 -20.648 -13.022 -20.941 585 HD23 LEU 75 HD23 LEU 75 -20.590 -13.937 -19.435 586 H LYS 76 H LYS 76 -16.422 -11.397 -23.916 587 HA LYS 76 HA LYS 76 -15.893 -8.629 -23.497 588 HB2 LYS 76 HB2 LYS 76 -15.417 -10.488 -25.847 589 HB3 LYS 76 HB3 LYS 76 -15.005 -8.767 -25.927 590 HG2 LYS 76 HG2 LYS 76 -13.544 -8.936 -23.987 591 HG3 LYS 76 HG3 LYS 76 -14.023 -10.612 -23.718 592 HD2 LYS 76 HD2 LYS 76 -11.836 -10.561 -24.734 593 HD3 LYS 76 HD3 LYS 76 -12.988 -11.270 -25.872 594 HE2 LYS 76 HE2 LYS 76 -13.133 -9.100 -27.079 595 HE3 LYS 76 HE3 LYS 76 -12.031 -8.367 -25.906 596 HZ1 LYS 76 HZ1 LYS 76 -10.854 -9.060 -27.912 597 HZ2 LYS 76 HZ2 LYS 76 -10.312 -9.934 -26.646 598 HZ3 LYS 76 HZ3 LYS 76 -11.331 -10.608 -27.732 599 H THR 77 H THR 77 -18.343 -10.145 -25.585 600 HA THR 77 HA THR 77 -19.228 -7.786 -26.934 601 HB THR 77 HB THR 77 -20.917 -10.182 -26.128 602 HG1 THR 77 HG1 THR 77 -20.236 -11.040 -28.109 603 HG21 THR 77 HG21 THR 77 -22.107 -9.680 -28.252 604 HG22 THR 77 HG22 THR 77 -22.216 -8.329 -27.116 605 HG23 THR 77 HG23 THR 77 -21.080 -8.243 -28.480 606 H GLN 78 H GLN 78 -20.289 -9.280 -23.831 607 HA GLN 78 HA GLN 78 -22.370 -7.367 -23.251 608 HB2 GLN 78 HB2 GLN 78 -20.723 -9.169 -21.402 609 HB3 GLN 78 HB3 GLN 78 -22.143 -8.229 -20.930 610 HG2 GLN 78 HG2 GLN 78 -23.503 -9.528 -22.613 611 HG3 GLN 78 HG3 GLN 78 -22.073 -10.513 -22.946 612 HE21 GLN 78 HE21 GLN 78 -23.253 -12.445 -22.224 613 HE22 GLN 78 HE22 GLN 78 -23.491 -12.697 -20.497 614 H LEU 79 H LEU 79 -18.952 -7.641 -22.245 615 HA LEU 79 HA LEU 79 -18.858 -5.298 -20.620 616 HB2 LEU 79 HB2 LEU 79 -16.708 -6.801 -22.160 617 HB3 LEU 79 HB3 LEU 79 -16.356 -5.498 -21.028 618 HG LEU 79 HG LEU 79 -17.860 -8.037 -20.249 619 HD11 LEU 79 HD11 LEU 79 -15.596 -8.570 -20.958 620 HD12 LEU 79 HD12 LEU 79 -14.939 -7.308 -19.880 621 HD13 LEU 79 HD13 LEU 79 -15.755 -8.741 -19.203 622 HD21 LEU 79 HD21 LEU 79 -16.582 -5.795 -18.625 623 HD22 LEU 79 HD22 LEU 79 -18.313 -6.190 -18.694 624 HD23 LEU 79 HD23 LEU 79 -17.182 -7.308 -17.928 625 H GLU 80 H GLU 80 -18.051 -5.615 -24.161 626 HA GLU 80 HA GLU 80 -17.365 -2.813 -24.298 627 HB2 GLU 80 HB2 GLU 80 -17.240 -2.944 -26.595 628 HB3 GLU 80 HB3 GLU 80 -16.597 -4.462 -25.987 629 HG2 GLU 80 HG2 GLU 80 -18.599 -5.652 -26.692 630 HG3 GLU 80 HG3 GLU 80 -19.430 -4.147 -27.088 631 H ILE 81 H ILE 81 -20.506 -4.481 -24.707 632 HA ILE 81 HA ILE 81 -21.955 -2.167 -25.623 633 HB ILE 81 HB ILE 81 -22.769 -4.740 -24.241 634 HG12 ILE 81 HG12 ILE 81 -23.333 -3.616 -27.029 635 HG13 ILE 81 HG13 ILE 81 -21.978 -4.671 -26.658 636 HG21 ILE 81 HG21 ILE 81 -24.416 -3.067 -23.483 637 HG22 ILE 81 HG22 ILE 81 -24.645 -2.509 -25.157 638 HG23 ILE 81 HG23 ILE 81 -25.146 -4.139 -24.658 639 HD11 ILE 81 HD11 ILE 81 -24.922 -5.406 -26.502 640 HD12 ILE 81 HD12 ILE 81 -23.695 -6.024 -27.614 641 HD13 ILE 81 HD13 ILE 81 -23.604 -6.437 -25.890 642 H ASN 82 H ASN 82 -21.161 -3.333 -22.339 643 HA ASN 82 HA ASN 82 -22.579 -1.209 -20.960 644 HB2 ASN 82 HB2 ASN 82 -20.203 -2.912 -20.067 645 HB3 ASN 82 HB3 ASN 82 -21.180 -1.880 -19.023 646 HD21 ASN 82 HD21 ASN 82 -20.783 -4.502 -18.398 647 HD22 ASN 82 HD22 ASN 82 -22.320 -5.345 -18.570 648 H GLY 83 H GLY 83 -19.145 -1.612 -21.956 649 HA2 GLY 83 HA2 GLY 83 -18.095 0.794 -20.900 650 HA3 GLY 83 HA3 GLY 83 -17.419 -0.133 -22.241 651 H ARG 84 H ARG 84 -19.537 0.175 -24.137 652 HA ARG 84 HA ARG 84 -19.011 2.692 -25.377 653 HB2 ARG 84 HB2 ARG 84 -21.206 0.613 -25.683 654 HB3 ARG 84 HB3 ARG 84 -21.182 2.072 -26.670 655 HG2 ARG 84 HG2 ARG 84 -19.078 1.522 -27.678 656 HG3 ARG 84 HG3 ARG 84 -18.765 0.218 -26.534 657 HD2 ARG 84 HD2 ARG 84 -20.750 -1.016 -27.403 658 HD3 ARG 84 HD3 ARG 84 -21.013 0.251 -28.600 659 HE ARG 84 HE ARG 84 -19.024 -1.902 -28.668 660 HH11 ARG 84 HH11 ARG 84 -17.838 -2.245 -30.322 661 HH12 ARG 84 HH12 ARG 84 -17.581 -1.032 -31.581 662 HH21 ARG 84 HH21 ARG 84 -18.618 0.949 -31.406 663 HH22 ARG 84 HH22 ARG 84 -19.648 1.280 -30.040 664 H ASN 85 H ASN 85 -21.115 2.065 -22.747 665 HA ASN 85 HA ASN 85 -22.436 4.712 -23.072 666 HB2 ASN 85 HB2 ASN 85 -23.874 2.640 -23.225 667 HB3 ASN 85 HB3 ASN 85 -23.423 2.250 -21.565 668 HD21 ASN 85 HD21 ASN 85 -24.795 4.996 -23.497 669 HD22 ASN 85 HD22 ASN 85 -25.956 5.437 -22.255 670 H ASN 86 H ASN 86 -19.821 3.581 -21.586 671 HA ASN 86 HA ASN 86 -20.198 5.165 -19.070 672 HB2 ASN 86 HB2 ASN 86 -20.404 2.579 -18.914 673 HB3 ASN 86 HB3 ASN 86 -18.671 2.543 -19.235 674 HD21 ASN 86 HD21 ASN 86 -17.377 4.115 -17.616 675 HD22 ASN 86 HD22 ASN 86 -17.937 3.996 -15.949 676 H LEU 87 H LEU 87 -17.996 4.231 -21.687 677 HA LEU 87 HA LEU 87 -15.545 5.170 -20.597 678 HB2 LEU 87 HB2 LEU 87 -16.628 4.767 -23.399 679 HB3 LEU 87 HB3 LEU 87 -15.000 5.381 -23.152 680 HG LEU 87 HG LEU 87 -15.926 2.755 -21.910 681 HD11 LEU 87 HD11 LEU 87 -16.125 2.624 -24.370 682 HD12 LEU 87 HD12 LEU 87 -14.455 3.207 -24.541 683 HD13 LEU 87 HD13 LEU 87 -14.783 1.635 -23.774 684 HD21 LEU 87 HD21 LEU 87 -13.489 2.299 -21.850 685 HD22 LEU 87 HD22 LEU 87 -13.169 3.935 -22.468 686 HD23 LEU 87 HD23 LEU 87 -13.922 3.702 -20.874 687 H ILE 88 H ILE 88 -18.218 7.031 -21.418 688 HA ILE 88 HA ILE 88 -17.018 9.487 -22.282 689 HB ILE 88 HB ILE 88 -19.321 10.418 -21.731 690 HG12 ILE 88 HG12 ILE 88 -21.151 8.832 -21.477 691 HG13 ILE 88 HG13 ILE 88 -20.032 7.481 -21.340 692 HG21 ILE 88 HG21 ILE 88 -20.310 9.342 -23.685 693 HG22 ILE 88 HG22 ILE 88 -18.599 9.693 -23.962 694 HG23 ILE 88 HG23 ILE 88 -19.116 8.031 -23.609 695 HD11 ILE 88 HD11 ILE 88 -20.255 9.771 -19.337 696 HD12 ILE 88 HD12 ILE 88 -21.007 8.173 -19.163 697 HD13 ILE 88 HD13 ILE 88 -19.245 8.313 -19.161 698 H GLN 89 H GLN 89 -16.020 8.295 -19.653 699 HA GLN 89 HA GLN 89 -16.626 9.757 -17.378 700 HB2 GLN 89 HB2 GLN 89 -15.126 7.749 -17.619 701 HB3 GLN 89 HB3 GLN 89 -13.879 8.809 -18.287 702 HG2 GLN 89 HG2 GLN 89 -13.980 10.122 -16.094 703 HG3 GLN 89 HG3 GLN 89 -15.034 8.856 -15.465 704 HE21 GLN 89 HE21 GLN 89 -11.871 9.877 -15.459 705 HE22 GLN 89 HE22 GLN 89 -11.093 8.325 -15.213 706 H GLN 90 H GLN 90 -16.214 11.755 -16.574 707 HA GLN 90 HA GLN 90 -14.192 13.553 -17.755 708 HB2 GLN 90 HB2 GLN 90 -16.320 13.832 -19.072 709 HB3 GLN 90 HB3 GLN 90 -17.152 14.287 -17.582 710 HG2 GLN 90 HG2 GLN 90 -15.713 16.293 -17.380 711 HG3 GLN 90 HG3 GLN 90 -14.758 15.762 -18.769 712 HE21 GLN 90 HE21 GLN 90 -15.220 17.321 -20.350 713 HE22 GLN 90 HE22 GLN 90 -16.859 17.748 -20.823 714 H LYS 91 H LYS 91 -13.584 15.245 -16.365 715 HA LYS 91 HA LYS 91 -13.738 14.756 -13.544 716 HB2 LYS 91 HB2 LYS 91 -12.378 16.745 -13.318 717 HB3 LYS 91 HB3 LYS 91 -11.799 15.781 -14.673 718 HG2 LYS 91 HG2 LYS 91 -12.958 17.327 -16.262 719 HG3 LYS 91 HG3 LYS 91 -13.527 18.295 -14.889 720 HD2 LYS 91 HD2 LYS 91 -11.179 18.758 -14.236 721 HD3 LYS 91 HD3 LYS 91 -10.608 17.799 -15.621 722 HE2 LYS 91 HE2 LYS 91 -11.799 19.335 -17.170 723 HE3 LYS 91 HE3 LYS 91 -12.377 20.283 -15.794 724 HZ1 LYS 91 HZ1 LYS 91 -10.056 20.803 -15.260 725 HZ2 LYS 91 HZ2 LYS 91 -9.519 19.926 -16.532 726 HZ3 LYS 91 HZ3 LYS 91 -10.396 21.278 -16.783 727 H ASN 92 H ASN 92 -14.326 16.359 -11.903 728 HA ASN 92 HA ASN 92 -17.093 16.950 -11.870 729 HB2 ASN 92 HB2 ASN 92 -15.692 16.571 -9.863 730 HB3 ASN 92 HB3 ASN 92 -14.819 18.074 -10.178 731 HD21 ASN 92 HD21 ASN 92 -15.538 18.538 -7.902 732 HD22 ASN 92 HD22 ASN 92 -17.137 19.241 -7.701 Start of MODEL 7 1 H MET 1 H MET 1 -3.325 16.643 0.368 2 HA MET 1 HA MET 1 -1.940 15.124 -0.762 3 HB2 MET 1 HB2 MET 1 -0.947 14.975 2.118 4 HB3 MET 1 HB3 MET 1 -0.014 14.496 0.693 5 HG2 MET 1 HG2 MET 1 -0.193 16.804 -0.201 6 HG3 MET 1 HG3 MET 1 -1.056 17.294 1.263 7 HE1 MET 1 HE1 MET 1 0.628 19.285 1.609 8 HE2 MET 1 HE2 MET 1 2.394 19.095 1.643 9 HE3 MET 1 HE3 MET 1 1.499 18.799 0.137 10 H ALA 2 H ALA 2 -4.067 13.771 1.437 11 HA ALA 2 HA ALA 2 -3.589 11.005 0.426 12 HB1 ALA 2 HB1 ALA 2 -3.852 10.114 2.705 13 HB2 ALA 2 HB2 ALA 2 -2.487 11.241 2.636 14 HB3 ALA 2 HB3 ALA 2 -4.032 11.761 3.349 15 H VAL 3 H VAL 3 -5.695 13.361 0.208 16 HA VAL 3 HA VAL 3 -8.198 12.216 1.120 17 HB VAL 3 HB VAL 3 -9.252 14.063 -0.121 18 HG11 VAL 3 HG11 VAL 3 -8.360 15.884 1.205 19 HG12 VAL 3 HG12 VAL 3 -8.403 14.404 2.175 20 HG13 VAL 3 HG13 VAL 3 -6.860 14.992 1.517 21 HG21 VAL 3 HG21 VAL 3 -6.433 14.872 -0.978 22 HG22 VAL 3 HG22 VAL 3 -7.693 14.229 -2.056 23 HG23 VAL 3 HG23 VAL 3 -7.933 15.780 -1.242 24 H SER 4 H SER 4 -6.309 11.335 -1.522 25 HA SER 4 HA SER 4 -8.121 10.910 -3.632 26 HB2 SER 4 HB2 SER 4 -5.729 9.195 -2.861 27 HB3 SER 4 HB3 SER 4 -6.459 9.325 -4.469 28 HG SER 4 HG SER 4 -5.806 11.494 -4.555 29 H VAL 5 H VAL 5 -9.082 8.999 -4.472 30 HA VAL 5 HA VAL 5 -9.699 6.767 -2.603 31 HB VAL 5 HB VAL 5 -12.080 6.832 -3.240 32 HG11 VAL 5 HG11 VAL 5 -11.219 9.422 -1.907 33 HG12 VAL 5 HG12 VAL 5 -12.784 8.598 -1.759 34 HG13 VAL 5 HG13 VAL 5 -11.321 7.836 -1.110 35 HG21 VAL 5 HG21 VAL 5 -13.106 8.824 -4.204 36 HG22 VAL 5 HG22 VAL 5 -11.520 9.591 -4.412 37 HG23 VAL 5 HG23 VAL 5 -11.945 8.136 -5.345 38 H THR 6 H THR 6 -10.793 4.944 -3.688 39 HA THR 6 HA THR 6 -9.315 4.026 -5.932 40 HB THR 6 HB THR 6 -11.167 2.162 -5.838 41 HG1 THR 6 HG1 THR 6 -12.659 3.449 -4.612 42 HG21 THR 6 HG21 THR 6 -10.134 1.182 -3.837 43 HG22 THR 6 HG22 THR 6 -8.907 1.903 -4.893 44 HG23 THR 6 HG23 THR 6 -9.414 2.752 -3.415 45 HA PRO 7 HA PRO 7 -11.694 5.362 -9.412 46 HB2 PRO 7 HB2 PRO 7 -10.992 3.596 -11.347 47 HB3 PRO 7 HB3 PRO 7 -9.799 4.651 -10.537 48 HG2 PRO 7 HG2 PRO 7 -10.487 1.770 -9.842 49 HG3 PRO 7 HG3 PRO 7 -8.864 2.458 -10.193 50 HD2 PRO 7 HD2 PRO 7 -9.791 2.202 -7.649 51 HD3 PRO 7 HD3 PRO 7 -8.801 3.608 -8.142 52 H ILE 8 H ILE 8 -13.195 3.524 -7.562 53 HA ILE 8 HA ILE 8 -14.768 1.609 -8.828 54 HB ILE 8 HB ILE 8 -16.449 1.954 -7.065 55 HG12 ILE 8 HG12 ILE 8 -14.671 4.248 -6.112 56 HG13 ILE 8 HG13 ILE 8 -16.264 4.431 -6.845 57 HG21 ILE 8 HG21 ILE 8 -14.983 1.189 -5.273 58 HG22 ILE 8 HG22 ILE 8 -14.441 0.525 -6.813 59 HG23 ILE 8 HG23 ILE 8 -13.566 1.883 -6.085 60 HD11 ILE 8 HD11 ILE 8 -15.656 3.093 -4.183 61 HD12 ILE 8 HD12 ILE 8 -16.492 4.628 -4.464 62 HD13 ILE 8 HD13 ILE 8 -17.257 3.108 -4.968 63 H ARG 9 H ARG 9 -15.187 5.067 -9.162 64 HA ARG 9 HA ARG 9 -17.877 4.969 -10.285 65 HB2 ARG 9 HB2 ARG 9 -16.847 6.959 -9.172 66 HB3 ARG 9 HB3 ARG 9 -15.717 7.115 -10.526 67 HG2 ARG 9 HG2 ARG 9 -17.599 7.530 -12.072 68 HG3 ARG 9 HG3 ARG 9 -18.762 7.251 -10.760 69 HD2 ARG 9 HD2 ARG 9 -17.819 9.212 -9.535 70 HD3 ARG 9 HD3 ARG 9 -16.656 9.456 -10.838 71 HE ARG 9 HE ARG 9 -18.301 10.364 -12.201 72 HH11 ARG 9 HH11 ARG 9 -21.426 9.859 -9.768 73 HH12 ARG 9 HH12 ARG 9 -19.922 9.076 -9.368 74 HH21 ARG 9 HH21 ARG 9 -20.245 11.329 -12.643 75 HH22 ARG 9 HH22 ARG 9 -21.597 11.098 -11.573 76 H ASP 10 H ASP 10 -14.641 4.621 -11.633 77 HA ASP 10 HA ASP 10 -15.579 4.815 -14.427 78 HB2 ASP 10 HB2 ASP 10 -13.418 5.800 -13.673 79 HB3 ASP 10 HB3 ASP 10 -12.834 4.181 -13.280 80 H THR 11 H THR 11 -14.526 2.250 -12.122 81 HA THR 11 HA THR 11 -14.490 0.142 -14.099 82 HB THR 11 HB THR 11 -14.631 -1.413 -12.113 83 HG1 THR 11 HG1 THR 11 -15.669 -0.192 -10.614 84 HG21 THR 11 HG21 THR 11 -12.470 -0.765 -12.997 85 HG22 THR 11 HG22 THR 11 -12.485 0.739 -12.038 86 HG23 THR 11 HG23 THR 11 -12.413 -0.845 -11.232 87 H LYS 12 H LYS 12 -17.125 1.853 -13.089 88 HA LYS 12 HA LYS 12 -19.287 0.308 -12.498 89 HB2 LYS 12 HB2 LYS 12 -19.314 2.729 -12.870 90 HB3 LYS 12 HB3 LYS 12 -19.025 2.498 -14.596 91 HG2 LYS 12 HG2 LYS 12 -21.266 1.346 -14.768 92 HG3 LYS 12 HG3 LYS 12 -21.520 1.667 -13.050 93 HD2 LYS 12 HD2 LYS 12 -22.713 3.280 -14.410 94 HD3 LYS 12 HD3 LYS 12 -21.436 4.114 -13.512 95 HE2 LYS 12 HE2 LYS 12 -20.044 4.289 -15.479 96 HE3 LYS 12 HE3 LYS 12 -21.054 3.142 -16.374 97 HZ1 LYS 12 HZ1 LYS 12 -21.985 5.826 -15.504 98 HZ2 LYS 12 HZ2 LYS 12 -21.521 5.432 -17.035 99 HZ3 LYS 12 HZ3 LYS 12 -22.830 4.731 -16.408 100 H TRP 13 H TRP 13 -17.944 0.516 -15.806 101 HA TRP 13 HA TRP 13 -19.962 -1.296 -16.884 102 HB2 TRP 13 HB2 TRP 13 -19.365 -0.482 -18.835 103 HB3 TRP 13 HB3 TRP 13 -18.517 0.747 -17.950 104 HD1 TRP 13 HD1 TRP 13 -17.958 -2.450 -19.946 105 HE1 TRP 13 HE1 TRP 13 -15.648 -2.407 -21.036 106 HE3 TRP 13 HE3 TRP 13 -16.024 1.641 -17.556 107 HZ2 TRP 13 HZ2 TRP 13 -13.258 -0.805 -20.905 108 HZ3 TRP 13 HZ3 TRP 13 -13.707 2.394 -18.058 109 HH2 TRP 13 HH2 TRP 13 -12.323 1.193 -19.727 110 H LEU 14 H LEU 14 -16.911 -1.795 -15.405 111 HA LEU 14 HA LEU 14 -16.322 -4.365 -16.736 112 HB2 LEU 14 HB2 LEU 14 -14.871 -2.723 -14.619 113 HB3 LEU 14 HB3 LEU 14 -14.238 -4.184 -15.344 114 HG LEU 14 HG LEU 14 -14.892 -1.651 -16.917 115 HD11 LEU 14 HD11 LEU 14 -12.215 -2.700 -15.940 116 HD12 LEU 14 HD12 LEU 14 -12.489 -1.280 -16.984 117 HD13 LEU 14 HD13 LEU 14 -13.067 -1.274 -15.314 118 HD21 LEU 14 HD21 LEU 14 -13.287 -4.131 -17.683 119 HD22 LEU 14 HD22 LEU 14 -14.900 -3.709 -18.318 120 HD23 LEU 14 HD23 LEU 14 -13.510 -2.682 -18.672 121 H THR 15 H THR 15 -17.849 -3.325 -13.761 122 HA THR 15 HA THR 15 -17.202 -5.671 -12.223 123 HB THR 15 HB THR 15 -19.553 -3.891 -11.629 124 HG1 THR 15 HG1 THR 15 -18.116 -2.533 -10.585 125 HG21 THR 15 HG21 THR 15 -19.178 -5.824 -10.143 126 HG22 THR 15 HG22 THR 15 -17.497 -5.311 -9.874 127 HG23 THR 15 HG23 THR 15 -18.846 -4.310 -9.296 128 H LEU 16 H LEU 16 -17.642 -7.246 -13.801 129 HA LEU 16 HA LEU 16 -20.268 -7.961 -14.797 130 HB2 LEU 16 HB2 LEU 16 -17.584 -8.416 -15.419 131 HB3 LEU 16 HB3 LEU 16 -18.040 -9.960 -14.735 132 HG LEU 16 HG LEU 16 -19.461 -8.551 -17.039 133 HD11 LEU 16 HD11 LEU 16 -18.308 -10.109 -18.482 134 HD12 LEU 16 HD12 LEU 16 -17.108 -9.238 -17.526 135 HD13 LEU 16 HD13 LEU 16 -17.527 -10.901 -17.090 136 HD21 LEU 16 HD21 LEU 16 -20.424 -10.822 -17.489 137 HD22 LEU 16 HD22 LEU 16 -19.760 -11.379 -15.937 138 HD23 LEU 16 HD23 LEU 16 -21.006 -10.107 -15.990 139 H GLU 17 H GLU 17 -21.599 -9.776 -14.095 140 HA GLU 17 HA GLU 17 -21.322 -10.473 -11.271 141 HB2 GLU 17 HB2 GLU 17 -23.247 -11.708 -13.256 142 HB3 GLU 17 HB3 GLU 17 -23.318 -11.718 -11.491 143 HG2 GLU 17 HG2 GLU 17 -23.304 -9.057 -11.849 144 HG3 GLU 17 HG3 GLU 17 -23.956 -9.511 -13.425 145 H VAL 18 H VAL 18 -21.117 -12.562 -10.350 146 HA VAL 18 HA VAL 18 -19.384 -14.398 -11.894 147 HB VAL 18 HB VAL 18 -19.002 -15.624 -9.921 148 HG11 VAL 18 HG11 VAL 18 -17.986 -13.996 -8.457 149 HG12 VAL 18 HG12 VAL 18 -17.791 -13.491 -10.141 150 HG13 VAL 18 HG13 VAL 18 -19.000 -12.693 -9.104 151 HG21 VAL 18 HG21 VAL 18 -21.206 -14.049 -8.546 152 HG22 VAL 18 HG22 VAL 18 -21.151 -15.794 -8.857 153 HG23 VAL 18 HG23 VAL 18 -20.020 -15.072 -7.710 154 H CYS 19 H CYS 19 -19.880 -16.681 -12.161 155 HA CYS 19 HA CYS 19 -22.647 -17.131 -12.883 156 HB2 CYS 19 HB2 CYS 19 -20.701 -18.127 -14.067 157 HB3 CYS 19 HB3 CYS 19 -20.363 -19.098 -12.633 158 H ARG 20 H ARG 20 -24.175 -18.303 -11.871 159 HA ARG 20 HA ARG 20 -24.176 -18.437 -8.975 160 HB2 ARG 20 HB2 ARG 20 -26.177 -19.473 -11.032 161 HB3 ARG 20 HB3 ARG 20 -26.423 -19.463 -9.291 162 HG2 ARG 20 HG2 ARG 20 -27.567 -17.576 -10.093 163 HG3 ARG 20 HG3 ARG 20 -26.119 -16.954 -9.293 164 HD2 ARG 20 HD2 ARG 20 -25.074 -16.450 -11.415 165 HD3 ARG 20 HD3 ARG 20 -26.280 -17.393 -12.303 166 HE ARG 20 HE ARG 20 -27.960 -15.688 -11.647 167 HH11 ARG 20 HH11 ARG 20 -27.090 -12.373 -11.943 168 HH12 ARG 20 HH12 ARG 20 -28.433 -13.517 -11.895 169 HH21 ARG 20 HH21 ARG 20 -25.180 -12.883 -11.810 170 HH22 ARG 20 HH22 ARG 20 -24.569 -14.527 -11.597 171 H GLU 21 H GLU 21 -23.842 -20.900 -11.501 172 HA GLU 21 HA GLU 21 -23.921 -23.149 -9.631 173 HB2 GLU 21 HB2 GLU 21 -22.959 -22.981 -12.498 174 HB3 GLU 21 HB3 GLU 21 -23.251 -24.467 -11.590 175 HG2 GLU 21 HG2 GLU 21 -25.373 -22.390 -12.339 176 HG3 GLU 21 HG3 GLU 21 -25.096 -23.916 -13.165 177 H PHE 22 H PHE 22 -21.423 -21.125 -11.100 178 HA PHE 22 HA PHE 22 -19.146 -22.642 -10.244 179 HB2 PHE 22 HB2 PHE 22 -19.245 -20.885 -11.994 180 HB3 PHE 22 HB3 PHE 22 -19.403 -19.666 -10.750 181 HD1 PHE 22 HD1 PHE 22 -17.165 -22.235 -12.232 182 HD2 PHE 22 HD2 PHE 22 -17.452 -18.868 -9.554 183 HE1 PHE 22 HE1 PHE 22 -14.685 -22.166 -12.053 184 HE2 PHE 22 HE2 PHE 22 -14.977 -18.772 -9.413 185 HZ PHE 22 HZ PHE 22 -13.589 -20.434 -10.641 186 H GLN 23 H GLN 23 -21.330 -20.529 -8.486 187 HA GLN 23 HA GLN 23 -19.631 -19.826 -6.304 188 HB2 GLN 23 HB2 GLN 23 -22.627 -20.385 -6.160 189 HB3 GLN 23 HB3 GLN 23 -21.658 -19.565 -4.940 190 HG2 GLN 23 HG2 GLN 23 -21.126 -17.763 -6.617 191 HG3 GLN 23 HG3 GLN 23 -22.242 -18.557 -7.731 192 HE21 GLN 23 HE21 GLN 23 -23.102 -16.186 -7.530 193 HE22 GLN 23 HE22 GLN 23 -24.361 -15.995 -6.318 194 H ARG 24 H ARG 24 -21.018 -22.894 -7.130 195 HA ARG 24 HA ARG 24 -20.052 -24.113 -4.564 196 HB2 ARG 24 HB2 ARG 24 -22.250 -25.216 -6.356 197 HB3 ARG 24 HB3 ARG 24 -21.708 -25.844 -4.808 198 HG2 ARG 24 HG2 ARG 24 -23.482 -24.759 -3.965 199 HG3 ARG 24 HG3 ARG 24 -22.422 -23.356 -3.990 200 HD2 ARG 24 HD2 ARG 24 -24.543 -22.721 -4.944 201 HD3 ARG 24 HD3 ARG 24 -23.369 -22.776 -6.269 202 HE ARG 24 HE ARG 24 -24.781 -25.301 -5.916 203 HH11 ARG 24 HH11 ARG 24 -26.185 -22.869 -8.709 204 HH12 ARG 24 HH12 ARG 24 -25.129 -22.152 -7.497 205 HH21 ARG 24 HH21 ARG 24 -26.613 -24.836 -8.811 206 HH22 ARG 24 HH22 ARG 24 -26.107 -26.016 -7.615 207 H GLY 25 H GLY 25 -18.800 -23.548 -7.347 208 HA2 GLY 25 HA2 GLY 25 -17.270 -24.504 -8.741 209 HA3 GLY 25 HA3 GLY 25 -16.954 -25.662 -7.440 210 H THR 26 H THR 26 -19.996 -25.285 -9.300 211 HA THR 26 HA THR 26 -19.560 -27.994 -10.497 212 HB THR 26 HB THR 26 -20.894 -28.018 -8.419 213 HG1 THR 26 HG1 THR 26 -22.420 -29.406 -9.225 214 HG21 THR 26 HG21 THR 26 -22.173 -25.967 -8.602 215 HG22 THR 26 HG22 THR 26 -23.005 -26.562 -10.057 216 HG23 THR 26 HG23 THR 26 -23.261 -27.350 -8.483 217 H CYS 27 H CYS 27 -19.679 -24.976 -11.560 218 HA CYS 27 HA CYS 27 -21.726 -25.024 -13.559 219 HB2 CYS 27 HB2 CYS 27 -20.530 -22.961 -12.789 220 HB3 CYS 27 HB3 CYS 27 -19.071 -23.522 -13.618 221 H SER 28 H SER 28 -21.802 -25.866 -15.551 222 HA SER 28 HA SER 28 -20.001 -28.020 -16.298 223 HB2 SER 28 HB2 SER 28 -22.397 -26.861 -17.766 224 HB3 SER 28 HB3 SER 28 -21.617 -28.419 -18.096 225 HG SER 28 HG SER 28 -23.480 -28.658 -16.784 226 H ARG 29 H ARG 29 -19.503 -24.776 -16.852 227 HA ARG 29 HA ARG 29 -18.235 -25.199 -19.555 228 HB2 ARG 29 HB2 ARG 29 -19.756 -22.833 -18.419 229 HB3 ARG 29 HB3 ARG 29 -18.886 -22.805 -19.939 230 HG2 ARG 29 HG2 ARG 29 -20.383 -24.399 -20.961 231 HG3 ARG 29 HG3 ARG 29 -21.201 -24.727 -19.425 232 HD2 ARG 29 HD2 ARG 29 -21.160 -22.037 -20.843 233 HD3 ARG 29 HD3 ARG 29 -22.497 -23.180 -20.897 234 HE ARG 29 HE ARG 29 -21.667 -21.499 -18.570 235 HH11 ARG 29 HH11 ARG 29 -23.878 -24.068 -19.535 236 HH12 ARG 29 HH12 ARG 29 -24.743 -23.939 -18.027 237 HH21 ARG 29 HH21 ARG 29 -24.011 -22.523 -16.437 238 HH22 ARG 29 HH22 ARG 29 -22.622 -21.512 -16.774 239 HA PRO 30 HA PRO 30 -14.675 -23.089 -17.659 240 HB2 PRO 30 HB2 PRO 30 -13.275 -22.398 -19.892 241 HB3 PRO 30 HB3 PRO 30 -13.406 -24.100 -19.351 242 HG2 PRO 30 HG2 PRO 30 -15.073 -22.686 -21.459 243 HG3 PRO 30 HG3 PRO 30 -14.225 -24.259 -21.597 244 HD2 PRO 30 HD2 PRO 30 -16.879 -24.119 -20.972 245 HD3 PRO 30 HD3 PRO 30 -15.816 -25.343 -20.238 246 H ASP 31 H ASP 31 -13.743 -20.821 -17.770 247 HA ASP 31 HA ASP 31 -15.687 -18.770 -17.682 248 HB2 ASP 31 HB2 ASP 31 -13.404 -18.749 -16.639 249 HB3 ASP 31 HB3 ASP 31 -12.705 -18.538 -18.235 250 H THR 32 H THR 32 -13.788 -19.918 -20.429 251 HA THR 32 HA THR 32 -14.358 -17.761 -22.250 252 HB THR 32 HB THR 32 -13.497 -19.386 -23.971 253 HG1 THR 32 HG1 THR 32 -12.570 -21.274 -23.146 254 HG21 THR 32 HG21 THR 32 -11.193 -19.326 -23.164 255 HG22 THR 32 HG22 THR 32 -12.006 -17.798 -22.793 256 HG23 THR 32 HG23 THR 32 -11.743 -18.996 -21.506 257 H GLU 33 H GLU 33 -16.471 -20.181 -21.147 258 HA GLU 33 HA GLU 33 -18.168 -19.962 -23.630 259 HB2 GLU 33 HB2 GLU 33 -17.395 -22.298 -21.909 260 HB3 GLU 33 HB3 GLU 33 -18.996 -22.306 -22.620 261 HG2 GLU 33 HG2 GLU 33 -18.034 -21.969 -24.864 262 HG3 GLU 33 HG3 GLU 33 -16.402 -21.978 -24.177 263 H CYS 34 H CYS 34 -18.204 -19.791 -20.083 264 HA CYS 34 HA CYS 34 -21.033 -20.072 -19.899 265 HB2 CYS 34 HB2 CYS 34 -19.219 -20.491 -18.147 266 HB3 CYS 34 HB3 CYS 34 -19.289 -18.757 -17.809 267 H LYS 35 H LYS 35 -22.414 -18.573 -18.832 268 HA LYS 35 HA LYS 35 -22.797 -16.108 -20.427 269 HB2 LYS 35 HB2 LYS 35 -24.533 -17.334 -18.238 270 HB3 LYS 35 HB3 LYS 35 -25.014 -16.066 -19.360 271 HG2 LYS 35 HG2 LYS 35 -24.407 -18.970 -20.066 272 HG3 LYS 35 HG3 LYS 35 -25.988 -18.195 -19.999 273 HD2 LYS 35 HD2 LYS 35 -25.307 -16.671 -21.863 274 HD3 LYS 35 HD3 LYS 35 -23.757 -17.536 -21.975 275 HE2 LYS 35 HE2 LYS 35 -24.965 -19.656 -22.409 276 HE3 LYS 35 HE3 LYS 35 -26.511 -18.804 -22.301 277 HZ1 LYS 35 HZ1 LYS 35 -24.407 -18.263 -24.332 278 HZ2 LYS 35 HZ2 LYS 35 -25.805 -19.057 -24.608 279 HZ3 LYS 35 HZ3 LYS 35 -25.835 -17.471 -24.230 280 H PHE 36 H PHE 36 -21.331 -16.814 -17.493 281 HA PHE 36 HA PHE 36 -21.262 -13.964 -16.647 282 HB2 PHE 36 HB2 PHE 36 -21.801 -16.333 -14.840 283 HB3 PHE 36 HB3 PHE 36 -21.552 -14.682 -14.297 284 HD1 PHE 36 HD1 PHE 36 -23.199 -12.868 -15.313 285 HD2 PHE 36 HD2 PHE 36 -24.017 -17.092 -15.053 286 HE1 PHE 36 HE1 PHE 36 -25.639 -12.397 -15.368 287 HE2 PHE 36 HE2 PHE 36 -26.458 -16.622 -15.120 288 HZ PHE 36 HZ PHE 36 -27.271 -14.274 -15.276 289 H ALA 37 H ALA 37 -19.495 -13.839 -14.741 290 HA ALA 37 HA ALA 37 -17.054 -14.909 -15.983 291 HB1 ALA 37 HB1 ALA 37 -17.561 -12.999 -13.675 292 HB2 ALA 37 HB2 ALA 37 -15.972 -13.354 -14.396 293 HB3 ALA 37 HB3 ALA 37 -17.225 -12.554 -15.362 294 H HIS 38 H HIS 38 -15.458 -16.125 -14.956 295 HA HIS 38 HA HIS 38 -16.188 -17.585 -12.440 296 HB2 HIS 38 HB2 HIS 38 -14.753 -18.594 -14.903 297 HB3 HIS 38 HB3 HIS 38 -14.878 -19.473 -13.393 298 HD1 HIS 38 HD1 HIS 38 -16.070 -20.718 -16.046 299 HD2 HIS 38 HD2 HIS 38 -18.187 -18.481 -13.187 300 HE1 HIS 38 HE1 HIS 38 -18.530 -21.355 -16.295 301 HA PRO 39 HA PRO 39 -12.306 -15.200 -11.526 302 HB2 PRO 39 HB2 PRO 39 -12.595 -15.254 -8.749 303 HB3 PRO 39 HB3 PRO 39 -13.285 -14.025 -9.832 304 HG2 PRO 39 HG2 PRO 39 -14.602 -16.483 -8.680 305 HG3 PRO 39 HG3 PRO 39 -15.267 -14.826 -8.797 306 HD2 PRO 39 HD2 PRO 39 -15.949 -16.749 -10.566 307 HD3 PRO 39 HD3 PRO 39 -15.697 -15.068 -11.117 308 H SER 40 H SER 40 -10.334 -15.659 -10.376 309 HA SER 40 HA SER 40 -9.840 -18.552 -9.787 310 HB2 SER 40 HB2 SER 40 -7.644 -18.303 -10.629 311 HB3 SER 40 HB3 SER 40 -8.716 -17.565 -11.838 312 HG SER 40 HG SER 40 -6.957 -16.202 -11.419 313 H LYS 41 H LYS 41 -7.520 -18.545 -8.618 314 HA LYS 41 HA LYS 41 -7.883 -18.022 -5.889 315 HB2 LYS 41 HB2 LYS 41 -5.401 -18.443 -7.593 316 HB3 LYS 41 HB3 LYS 41 -5.355 -18.395 -5.818 317 HG2 LYS 41 HG2 LYS 41 -7.013 -20.271 -5.749 318 HG3 LYS 41 HG3 LYS 41 -6.916 -20.404 -7.508 319 HD2 LYS 41 HD2 LYS 41 -4.588 -20.765 -5.567 320 HD3 LYS 41 HD3 LYS 41 -5.512 -22.069 -6.326 321 HE2 LYS 41 HE2 LYS 41 -4.802 -21.261 -8.575 322 HE3 LYS 41 HE3 LYS 41 -3.840 -19.989 -7.809 323 HZ1 LYS 41 HZ1 LYS 41 -2.476 -21.921 -8.348 324 HZ2 LYS 41 HZ2 LYS 41 -2.519 -21.730 -6.728 325 HZ3 LYS 41 HZ3 LYS 41 -3.405 -22.905 -7.438 326 H SER 42 H SER 42 -6.687 -15.713 -8.263 327 HA SER 42 HA SER 42 -5.875 -13.857 -6.045 328 HB2 SER 42 HB2 SER 42 -5.126 -13.744 -8.980 329 HB3 SER 42 HB3 SER 42 -4.579 -12.644 -7.702 330 HG SER 42 HG SER 42 -3.662 -14.506 -6.643 331 H CYS 43 H CYS 43 -8.326 -14.178 -8.538 332 HA CYS 43 HA CYS 43 -8.890 -11.456 -8.985 333 HB2 CYS 43 HB2 CYS 43 -10.768 -13.839 -9.063 334 HB3 CYS 43 HB3 CYS 43 -11.062 -12.262 -9.810 335 HG CYS 43 HG CYS 43 -8.804 -12.328 -11.300 336 H GLN 44 H GLN 44 -10.043 -9.904 -7.947 337 HA GLN 44 HA GLN 44 -11.070 -10.447 -5.230 338 HB2 GLN 44 HB2 GLN 44 -10.695 -7.934 -6.907 339 HB3 GLN 44 HB3 GLN 44 -11.636 -7.928 -5.406 340 HG2 GLN 44 HG2 GLN 44 -9.711 -8.867 -4.170 341 HG3 GLN 44 HG3 GLN 44 -8.736 -8.834 -5.645 342 HE21 GLN 44 HE21 GLN 44 -10.729 -6.582 -3.580 343 HE22 GLN 44 HE22 GLN 44 -9.615 -5.240 -3.787 344 H VAL 45 H VAL 45 -13.131 -10.465 -4.571 345 HA VAL 45 HA VAL 45 -15.323 -10.243 -6.587 346 HB VAL 45 HB VAL 45 -15.221 -12.308 -4.368 347 HG11 VAL 45 HG11 VAL 45 -17.477 -11.822 -5.194 348 HG12 VAL 45 HG12 VAL 45 -16.951 -12.134 -6.861 349 HG13 VAL 45 HG13 VAL 45 -16.986 -13.446 -5.668 350 HG21 VAL 45 HG21 VAL 45 -14.732 -14.070 -5.996 351 HG22 VAL 45 HG22 VAL 45 -14.455 -12.854 -7.249 352 HG23 VAL 45 HG23 VAL 45 -13.388 -12.945 -5.837 353 H GLU 46 H GLU 46 -17.175 -9.251 -5.863 354 HA GLU 46 HA GLU 46 -17.639 -8.756 -2.969 355 HB2 GLU 46 HB2 GLU 46 -17.429 -6.534 -5.053 356 HB3 GLU 46 HB3 GLU 46 -18.156 -6.356 -3.454 357 HG2 GLU 46 HG2 GLU 46 -15.956 -7.033 -2.428 358 HG3 GLU 46 HG3 GLU 46 -15.240 -6.988 -4.045 359 H ASN 47 H ASN 47 -19.738 -8.917 -2.472 360 HA ASN 47 HA ASN 47 -21.905 -9.538 -2.678 361 HB2 ASN 47 HB2 ASN 47 -21.708 -6.988 -2.689 362 HB3 ASN 47 HB3 ASN 47 -22.025 -7.075 -4.428 363 HD21 ASN 47 HD21 ASN 47 -24.013 -5.912 -4.266 364 HD22 ASN 47 HD22 ASN 47 -25.421 -6.624 -3.492 365 H GLY 48 H GLY 48 -20.518 -11.086 -4.620 366 HA2 GLY 48 HA2 GLY 48 -21.275 -12.685 -6.156 367 HA3 GLY 48 HA3 GLY 48 -22.782 -11.782 -6.358 368 H ARG 49 H ARG 49 -19.883 -9.928 -6.779 369 HA ARG 49 HA ARG 49 -19.848 -10.268 -9.731 370 HB2 ARG 49 HB2 ARG 49 -19.945 -7.528 -8.401 371 HB3 ARG 49 HB3 ARG 49 -19.933 -7.918 -10.122 372 HG2 ARG 49 HG2 ARG 49 -22.155 -9.080 -9.812 373 HG3 ARG 49 HG3 ARG 49 -22.203 -8.442 -8.164 374 HD2 ARG 49 HD2 ARG 49 -22.193 -6.167 -8.967 375 HD3 ARG 49 HD3 ARG 49 -21.902 -6.698 -10.637 376 HE ARG 49 HE ARG 49 -24.210 -7.996 -10.164 377 HH11 ARG 49 HH11 ARG 49 -25.205 -4.171 -9.804 378 HH12 ARG 49 HH12 ARG 49 -23.539 -4.604 -9.528 379 HH21 ARG 49 HH21 ARG 49 -26.701 -5.758 -10.359 380 HH22 ARG 49 HH22 ARG 49 -26.145 -7.424 -10.537 381 H VAL 50 H VAL 50 -18.060 -9.349 -10.761 382 HA VAL 50 HA VAL 50 -15.518 -9.119 -9.207 383 HB VAL 50 HB VAL 50 -14.524 -10.540 -11.069 384 HG11 VAL 50 HG11 VAL 50 -15.076 -12.663 -9.933 385 HG12 VAL 50 HG12 VAL 50 -14.687 -11.347 -8.820 386 HG13 VAL 50 HG13 VAL 50 -16.376 -11.838 -9.057 387 HG21 VAL 50 HG21 VAL 50 -16.405 -10.692 -12.663 388 HG22 VAL 50 HG22 VAL 50 -15.946 -12.296 -12.069 389 HG23 VAL 50 HG23 VAL 50 -17.398 -11.518 -11.447 390 H ILE 51 H ILE 51 -14.049 -7.669 -10.128 391 HA ILE 51 HA ILE 51 -15.073 -6.000 -12.352 392 HB ILE 51 HB ILE 51 -12.682 -5.666 -10.514 393 HG12 ILE 51 HG12 ILE 51 -15.424 -4.366 -10.642 394 HG13 ILE 51 HG13 ILE 51 -14.838 -5.472 -9.394 395 HG21 ILE 51 HG21 ILE 51 -13.842 -3.729 -12.583 396 HG22 ILE 51 HG22 ILE 51 -12.496 -3.391 -11.472 397 HG23 ILE 51 HG23 ILE 51 -12.286 -4.574 -12.741 398 HD11 ILE 51 HD11 ILE 51 -14.844 -3.272 -8.503 399 HD12 ILE 51 HD12 ILE 51 -13.148 -3.773 -8.709 400 HD13 ILE 51 HD13 ILE 51 -13.902 -2.627 -9.852 401 H ALA 52 H ALA 52 -14.413 -6.143 -14.406 402 HA ALA 52 HA ALA 52 -12.540 -8.193 -15.245 403 HB1 ALA 52 HB1 ALA 52 -14.564 -7.752 -16.521 404 HB2 ALA 52 HB2 ALA 52 -14.067 -6.075 -16.803 405 HB3 ALA 52 HB3 ALA 52 -13.139 -7.409 -17.520 406 H CYS 53 H CYS 53 -10.602 -7.925 -16.411 407 HA CYS 53 HA CYS 53 -8.870 -5.946 -15.319 408 HB2 CYS 53 HB2 CYS 53 -8.247 -8.291 -15.828 409 HB3 CYS 53 HB3 CYS 53 -8.300 -7.918 -17.554 410 H PHE 54 H PHE 54 -9.200 -3.930 -15.809 411 HA PHE 54 HA PHE 54 -9.787 -2.797 -18.383 412 HB2 PHE 54 HB2 PHE 54 -8.981 -0.672 -17.347 413 HB3 PHE 54 HB3 PHE 54 -10.236 -1.483 -16.438 414 HD1 PHE 54 HD1 PHE 54 -9.817 -2.452 -14.225 415 HD2 PHE 54 HD2 PHE 54 -6.662 -0.546 -16.470 416 HE1 PHE 54 HE1 PHE 54 -8.377 -2.452 -12.207 417 HE2 PHE 54 HE2 PHE 54 -5.207 -0.587 -14.469 418 HZ PHE 54 HZ PHE 54 -6.067 -1.522 -12.319 419 H ASP 55 H ASP 55 -6.721 -3.577 -16.724 420 HA ASP 55 HA ASP 55 -4.973 -2.328 -18.632 421 HB2 ASP 55 HB2 ASP 55 -4.512 -4.687 -16.768 422 HB3 ASP 55 HB3 ASP 55 -3.267 -3.922 -17.747 423 H SER 56 H SER 56 -6.305 -5.715 -18.474 424 HA SER 56 HA SER 56 -4.963 -6.591 -20.844 425 HB2 SER 56 HB2 SER 56 -5.900 -8.127 -19.225 426 HB3 SER 56 HB3 SER 56 -7.546 -7.585 -19.587 427 HG SER 56 HG SER 56 -6.773 -9.549 -20.695 428 H LEU 57 H LEU 57 -8.175 -5.041 -20.408 429 HA LEU 57 HA LEU 57 -8.972 -5.157 -23.171 430 HB2 LEU 57 HB2 LEU 57 -9.744 -3.448 -20.789 431 HB3 LEU 57 HB3 LEU 57 -10.412 -3.103 -22.378 432 HG LEU 57 HG LEU 57 -10.646 -5.846 -21.090 433 HD11 LEU 57 HD11 LEU 57 -12.931 -5.192 -20.452 434 HD12 LEU 57 HD12 LEU 57 -11.720 -4.183 -19.648 435 HD13 LEU 57 HD13 LEU 57 -12.629 -3.538 -21.036 436 HD21 LEU 57 HD21 LEU 57 -11.039 -5.830 -23.530 437 HD22 LEU 57 HD22 LEU 57 -12.564 -6.072 -22.672 438 HD23 LEU 57 HD23 LEU 57 -12.179 -4.479 -23.351 439 H LYS 58 H LYS 58 -7.130 -2.675 -21.370 440 HA LYS 58 HA LYS 58 -6.912 -0.912 -23.722 441 HB2 LYS 58 HB2 LYS 58 -5.676 -0.803 -20.940 442 HB3 LYS 58 HB3 LYS 58 -5.485 0.457 -22.147 443 HG2 LYS 58 HG2 LYS 58 -8.153 -0.423 -20.955 444 HG3 LYS 58 HG3 LYS 58 -7.215 0.965 -20.431 445 HD2 LYS 58 HD2 LYS 58 -8.504 0.616 -23.174 446 HD3 LYS 58 HD3 LYS 58 -9.126 1.583 -21.832 447 HE2 LYS 58 HE2 LYS 58 -7.038 2.971 -21.893 448 HE3 LYS 58 HE3 LYS 58 -6.497 2.065 -23.311 449 HZ1 LYS 58 HZ1 LYS 58 -7.619 4.146 -23.914 450 HZ2 LYS 58 HZ2 LYS 58 -8.456 2.874 -24.505 451 HZ3 LYS 58 HZ3 LYS 58 -8.997 3.669 -23.180 452 H GLY 59 H GLY 59 -5.200 -3.672 -22.803 453 HA2 GLY 59 HA2 GLY 59 -3.429 -4.693 -23.910 454 HA3 GLY 59 HA3 GLY 59 -3.170 -3.238 -24.875 455 H ARG 60 H ARG 60 -3.192 -3.511 -21.336 456 HA ARG 60 HA ARG 60 -0.307 -2.695 -21.176 457 HB2 ARG 60 HB2 ARG 60 -2.052 -0.940 -20.700 458 HB3 ARG 60 HB3 ARG 60 -2.603 -1.898 -19.323 459 HG2 ARG 60 HG2 ARG 60 -0.509 -1.574 -18.160 460 HG3 ARG 60 HG3 ARG 60 0.270 -0.928 -19.619 461 HD2 ARG 60 HD2 ARG 60 -0.229 0.898 -18.130 462 HD3 ARG 60 HD3 ARG 60 -1.271 1.023 -19.558 463 HE ARG 60 HE ARG 60 -2.581 -0.457 -17.428 464 HH11 ARG 60 HH11 ARG 60 -4.523 1.977 -16.199 465 HH12 ARG 60 HH12 ARG 60 -4.125 0.255 -16.339 466 HH21 ARG 60 HH21 ARG 60 -3.227 3.460 -17.316 467 HH22 ARG 60 HH22 ARG 60 -1.880 2.887 -18.265 468 H CYS 61 H CYS 61 -2.609 -5.073 -20.045 469 HA CYS 61 HA CYS 61 -1.277 -5.689 -17.598 470 HB2 CYS 61 HB2 CYS 61 -3.680 -6.230 -18.298 471 HB3 CYS 61 HB3 CYS 61 -3.031 -7.626 -19.148 472 H SER 62 H SER 62 -0.047 -7.379 -16.995 473 HA SER 62 HA SER 62 1.268 -9.253 -18.826 474 HB2 SER 62 HB2 SER 62 3.556 -8.476 -18.348 475 HB3 SER 62 HB3 SER 62 2.618 -7.230 -19.179 476 HG SER 62 HG SER 62 3.803 -6.380 -17.402 477 H ARG 63 H ARG 63 -0.174 -8.814 -15.989 478 HA ARG 63 HA ARG 63 1.577 -9.945 -14.000 479 HB2 ARG 63 HB2 ARG 63 -1.446 -9.580 -14.202 480 HB3 ARG 63 HB3 ARG 63 -0.642 -10.171 -12.748 481 HG2 ARG 63 HG2 ARG 63 0.643 -8.098 -12.545 482 HG3 ARG 63 HG3 ARG 63 -0.101 -7.446 -14.013 483 HD2 ARG 63 HD2 ARG 63 -1.689 -8.329 -11.565 484 HD3 ARG 63 HD3 ARG 63 -1.104 -6.683 -11.787 485 HE ARG 63 HE ARG 63 -3.204 -8.044 -13.460 486 HH11 ARG 63 HH11 ARG 63 -2.811 -4.142 -13.819 487 HH12 ARG 63 HH12 ARG 63 -1.587 -4.938 -12.819 488 HH21 ARG 63 HH21 ARG 63 -4.436 -6.915 -14.739 489 HH22 ARG 63 HH22 ARG 63 -4.289 -5.171 -14.807 490 H GLU 64 H GLU 64 1.241 -11.841 -12.810 491 HA GLU 64 HA GLU 64 0.225 -14.236 -14.312 492 HB2 GLU 64 HB2 GLU 64 2.583 -14.036 -12.397 493 HB3 GLU 64 HB3 GLU 64 1.958 -15.532 -13.102 494 HG2 GLU 64 HG2 GLU 64 2.437 -14.644 -15.385 495 HG3 GLU 64 HG3 GLU 64 3.159 -13.205 -14.662 496 H ASN 65 H ASN 65 -0.453 -12.256 -11.819 497 HA ASN 65 HA ASN 65 -2.237 -14.148 -10.415 498 HB2 ASN 65 HB2 ASN 65 0.007 -12.491 -9.186 499 HB3 ASN 65 HB3 ASN 65 -1.410 -12.941 -8.239 500 HD21 ASN 65 HD21 ASN 65 -2.003 -15.276 -8.138 501 HD22 ASN 65 HD22 ASN 65 -0.657 -16.418 -8.075 502 H CYS 66 H CYS 66 -2.805 -12.295 -12.443 503 HA CYS 66 HA CYS 66 -3.475 -9.706 -11.700 504 HB2 CYS 66 HB2 CYS 66 -3.367 -10.820 -13.994 505 HB3 CYS 66 HB3 CYS 66 -5.002 -11.428 -13.686 506 H LYS 67 H LYS 67 -4.955 -8.813 -10.470 507 HA LYS 67 HA LYS 67 -6.810 -10.448 -8.917 508 HB2 LYS 67 HB2 LYS 67 -6.695 -7.436 -8.828 509 HB3 LYS 67 HB3 LYS 67 -7.180 -8.585 -7.571 510 HG2 LYS 67 HG2 LYS 67 -4.759 -9.385 -7.519 511 HG3 LYS 67 HG3 LYS 67 -4.362 -8.002 -8.566 512 HD2 LYS 67 HD2 LYS 67 -5.705 -7.831 -5.834 513 HD3 LYS 67 HD3 LYS 67 -3.983 -7.560 -6.121 514 HE2 LYS 67 HE2 LYS 67 -4.375 -5.580 -7.410 515 HE3 LYS 67 HE3 LYS 67 -6.099 -5.936 -7.589 516 HZ1 LYS 67 HZ1 LYS 67 -6.444 -5.548 -5.283 517 HZ2 LYS 67 HZ2 LYS 67 -4.844 -5.281 -4.989 518 HZ3 LYS 67 HZ3 LYS 67 -5.704 -4.232 -5.909 519 H TYR 68 H TYR 68 -7.163 -9.254 -11.921 520 HA TYR 68 HA TYR 68 -10.086 -8.711 -11.640 521 HB2 TYR 68 HB2 TYR 68 -8.079 -7.444 -13.528 522 HB3 TYR 68 HB3 TYR 68 -9.794 -7.078 -13.414 523 HD1 TYR 68 HD1 TYR 68 -10.719 -5.945 -11.381 524 HD2 TYR 68 HD2 TYR 68 -6.480 -6.505 -11.939 525 HE1 TYR 68 HE1 TYR 68 -10.267 -4.263 -9.600 526 HE2 TYR 68 HE2 TYR 68 -6.026 -4.810 -10.171 527 HH TYR 68 HH TYR 68 -8.657 -3.156 -8.389 528 H LEU 69 H LEU 69 -11.401 -9.287 -13.407 529 HA LEU 69 HA LEU 69 -10.689 -11.887 -14.496 530 HB2 LEU 69 HB2 LEU 69 -13.139 -10.141 -14.411 531 HB3 LEU 69 HB3 LEU 69 -13.069 -11.361 -15.663 532 HG LEU 69 HG LEU 69 -14.250 -12.013 -13.578 533 HD11 LEU 69 HD11 LEU 69 -13.406 -13.695 -15.185 534 HD12 LEU 69 HD12 LEU 69 -11.877 -13.787 -14.286 535 HD13 LEU 69 HD13 LEU 69 -13.398 -14.290 -13.521 536 HD21 LEU 69 HD21 LEU 69 -11.498 -12.352 -12.349 537 HD22 LEU 69 HD22 LEU 69 -12.575 -11.003 -11.966 538 HD23 LEU 69 HD23 LEU 69 -13.075 -12.667 -11.603 539 H HIS 70 H HIS 70 -9.449 -12.175 -16.250 540 HA HIS 70 HA HIS 70 -9.174 -10.208 -18.358 541 HB2 HIS 70 HB2 HIS 70 -8.355 -13.101 -18.044 542 HB3 HIS 70 HB3 HIS 70 -8.276 -12.311 -19.618 543 HD1 HIS 70 HD1 HIS 70 -5.596 -12.278 -19.673 544 HD2 HIS 70 HD2 HIS 70 -7.432 -10.173 -16.525 545 HE1 HIS 70 HE1 HIS 70 -3.850 -10.654 -18.749 546 HA PRO 71 HA PRO 71 -13.221 -10.982 -19.826 547 HB2 PRO 71 HB2 PRO 71 -13.368 -9.469 -22.051 548 HB3 PRO 71 HB3 PRO 71 -13.141 -8.795 -20.417 549 HG2 PRO 71 HG2 PRO 71 -10.944 -9.392 -22.431 550 HG3 PRO 71 HG3 PRO 71 -11.287 -7.852 -21.591 551 HD2 PRO 71 HD2 PRO 71 -9.478 -9.597 -20.590 552 HD3 PRO 71 HD3 PRO 71 -10.589 -8.713 -19.496 553 HA PRO 72 HA PRO 72 -12.566 -14.430 -22.715 554 HB2 PRO 72 HB2 PRO 72 -14.941 -15.727 -22.363 555 HB3 PRO 72 HB3 PRO 72 -13.636 -15.749 -21.127 556 HG2 PRO 72 HG2 PRO 72 -16.105 -14.014 -21.253 557 HG3 PRO 72 HG3 PRO 72 -15.460 -14.901 -19.839 558 HD2 PRO 72 HD2 PRO 72 -14.967 -12.232 -20.265 559 HD3 PRO 72 HD3 PRO 72 -13.794 -13.315 -19.467 560 HA PRO 73 HA PRO 73 -14.360 -12.995 -26.526 561 HB2 PRO 73 HB2 PRO 73 -15.132 -15.884 -27.002 562 HB3 PRO 73 HB3 PRO 73 -14.388 -14.714 -28.138 563 HG2 PRO 73 HG2 PRO 73 -12.845 -16.544 -26.883 564 HG3 PRO 73 HG3 PRO 73 -12.286 -14.844 -27.009 565 HD2 PRO 73 HD2 PRO 73 -13.524 -16.249 -24.640 566 HD3 PRO 73 HD3 PRO 73 -12.165 -15.080 -24.702 567 H HIS 74 H HIS 74 -16.484 -15.327 -24.811 568 HA HIS 74 HA HIS 74 -18.918 -14.348 -26.055 569 HB2 HIS 74 HB2 HIS 74 -18.398 -16.214 -23.700 570 HB3 HIS 74 HB3 HIS 74 -20.012 -15.806 -24.267 571 HD1 HIS 74 HD1 HIS 74 -17.182 -18.153 -25.123 572 HD2 HIS 74 HD2 HIS 74 -20.637 -16.468 -26.892 573 HE1 HIS 74 HE1 HIS 74 -17.689 -19.557 -27.219 574 HE2 HIS 74 HE2 HIS 74 -19.801 -18.534 -28.285 575 H LEU 75 H LEU 75 -17.109 -12.974 -23.495 576 HA LEU 75 HA LEU 75 -19.492 -11.342 -22.682 577 HB2 LEU 75 HB2 LEU 75 -17.009 -11.940 -21.060 578 HB3 LEU 75 HB3 LEU 75 -18.337 -10.906 -20.574 579 HG LEU 75 HG LEU 75 -18.584 -13.902 -21.090 580 HD11 LEU 75 HD11 LEU 75 -18.758 -12.450 -18.427 581 HD12 LEU 75 HD12 LEU 75 -18.749 -14.194 -18.726 582 HD13 LEU 75 HD13 LEU 75 -17.285 -13.253 -19.005 583 HD21 LEU 75 HD21 LEU 75 -20.709 -12.786 -21.536 584 HD22 LEU 75 HD22 LEU 75 -20.810 -13.613 -19.982 585 HD23 LEU 75 HD23 LEU 75 -20.579 -11.848 -20.032 586 H LYS 76 H LYS 76 -16.384 -11.168 -24.244 587 HA LYS 76 HA LYS 76 -15.747 -8.424 -23.802 588 HB2 LYS 76 HB2 LYS 76 -15.288 -10.306 -26.137 589 HB3 LYS 76 HB3 LYS 76 -14.815 -8.602 -26.221 590 HG2 LYS 76 HG2 LYS 76 -13.384 -8.802 -24.267 591 HG3 LYS 76 HG3 LYS 76 -13.942 -10.454 -23.977 592 HD2 LYS 76 HD2 LYS 76 -11.736 -10.506 -24.959 593 HD3 LYS 76 HD3 LYS 76 -12.903 -11.208 -26.085 594 HE2 LYS 76 HE2 LYS 76 -12.956 -9.073 -27.364 595 HE3 LYS 76 HE3 LYS 76 -11.840 -8.343 -26.203 596 HZ1 LYS 76 HZ1 LYS 76 -10.171 -9.993 -26.873 597 HZ2 LYS 76 HZ2 LYS 76 -11.205 -10.667 -27.948 598 HZ3 LYS 76 HZ3 LYS 76 -10.669 -9.143 -28.173 599 H THR 77 H THR 77 -18.147 -9.830 -26.056 600 HA THR 77 HA THR 77 -18.862 -7.402 -27.382 601 HB THR 77 HB THR 77 -20.822 -9.626 -26.754 602 HG1 THR 77 HG1 THR 77 -19.996 -10.667 -28.595 603 HG21 THR 77 HG21 THR 77 -21.657 -9.096 -29.025 604 HG22 THR 77 HG22 THR 77 -21.710 -7.670 -27.979 605 HG23 THR 77 HG23 THR 77 -20.417 -7.830 -29.187 606 H GLN 78 H GLN 78 -19.986 -8.853 -24.317 607 HA GLN 78 HA GLN 78 -22.121 -6.924 -23.874 608 HB2 GLN 78 HB2 GLN 78 -20.664 -8.804 -21.953 609 HB3 GLN 78 HB3 GLN 78 -22.109 -7.875 -21.569 610 HG2 GLN 78 HG2 GLN 78 -21.873 -10.096 -23.645 611 HG3 GLN 78 HG3 GLN 78 -22.653 -10.217 -22.077 612 HE21 GLN 78 HE21 GLN 78 -23.713 -10.494 -24.966 613 HE22 GLN 78 HE22 GLN 78 -25.108 -9.426 -24.961 614 H LEU 79 H LEU 79 -18.781 -7.316 -22.598 615 HA LEU 79 HA LEU 79 -18.734 -4.967 -21.004 616 HB2 LEU 79 HB2 LEU 79 -16.497 -6.465 -22.419 617 HB3 LEU 79 HB3 LEU 79 -16.223 -5.175 -21.255 618 HG LEU 79 HG LEU 79 -17.736 -7.740 -20.599 619 HD11 LEU 79 HD11 LEU 79 -15.687 -8.422 -19.434 620 HD12 LEU 79 HD12 LEU 79 -15.416 -8.214 -21.170 621 HD13 LEU 79 HD13 LEU 79 -14.854 -6.966 -20.027 622 HD21 LEU 79 HD21 LEU 79 -16.610 -5.503 -18.852 623 HD22 LEU 79 HD22 LEU 79 -18.326 -5.907 -19.071 624 HD23 LEU 79 HD23 LEU 79 -17.258 -7.033 -18.235 625 H GLU 80 H GLU 80 -17.697 -5.279 -24.484 626 HA GLU 80 HA GLU 80 -16.908 -2.520 -24.608 627 HB2 GLU 80 HB2 GLU 80 -16.740 -2.710 -26.933 628 HB3 GLU 80 HB3 GLU 80 -16.193 -4.238 -26.248 629 HG2 GLU 80 HG2 GLU 80 -18.375 -5.263 -26.843 630 HG3 GLU 80 HG3 GLU 80 -18.921 -3.732 -27.524 631 H ILE 81 H ILE 81 -20.090 -4.007 -24.953 632 HA ILE 81 HA ILE 81 -21.393 -1.547 -25.869 633 HB ILE 81 HB ILE 81 -22.410 -4.254 -24.947 634 HG12 ILE 81 HG12 ILE 81 -22.492 -2.704 -27.580 635 HG13 ILE 81 HG13 ILE 81 -21.369 -4.004 -27.198 636 HG21 ILE 81 HG21 ILE 81 -24.707 -3.490 -25.488 637 HG22 ILE 81 HG22 ILE 81 -24.063 -2.582 -24.140 638 HG23 ILE 81 HG23 ILE 81 -24.105 -1.838 -25.756 639 HD11 ILE 81 HD11 ILE 81 -23.330 -5.562 -26.952 640 HD12 ILE 81 HD12 ILE 81 -24.366 -4.237 -27.567 641 HD13 ILE 81 HD13 ILE 81 -23.082 -4.905 -28.586 642 H ASN 82 H ASN 82 -20.994 -3.190 -22.680 643 HA ASN 82 HA ASN 82 -22.490 -1.216 -21.201 644 HB2 ASN 82 HB2 ASN 82 -20.194 -3.054 -20.361 645 HB3 ASN 82 HB3 ASN 82 -21.101 -2.033 -19.246 646 HD21 ASN 82 HD21 ASN 82 -23.731 -2.352 -19.805 647 HD22 ASN 82 HD22 ASN 82 -24.141 -4.053 -19.673 648 H GLY 83 H GLY 83 -19.118 -1.295 -22.325 649 HA2 GLY 83 HA2 GLY 83 -18.042 0.949 -21.000 650 HA3 GLY 83 HA3 GLY 83 -17.559 0.356 -22.594 651 H ARG 84 H ARG 84 -20.336 0.879 -23.706 652 HA ARG 84 HA ARG 84 -19.992 3.569 -24.668 653 HB2 ARG 84 HB2 ARG 84 -22.479 1.790 -24.707 654 HB3 ARG 84 HB3 ARG 84 -22.265 3.275 -25.627 655 HG2 ARG 84 HG2 ARG 84 -20.374 2.301 -26.859 656 HG3 ARG 84 HG3 ARG 84 -20.490 0.816 -25.901 657 HD2 ARG 84 HD2 ARG 84 -22.808 0.470 -26.738 658 HD3 ARG 84 HD3 ARG 84 -22.613 1.896 -27.783 659 HE ARG 84 HE ARG 84 -20.435 0.120 -28.254 660 HH11 ARG 84 HH11 ARG 84 -23.743 -0.837 -30.278 661 HH12 ARG 84 HH12 ARG 84 -23.878 0.212 -28.894 662 HH21 ARG 84 HH21 ARG 84 -21.782 -1.617 -30.900 663 HH22 ARG 84 HH22 ARG 84 -20.332 -1.216 -30.030 664 H ASN 85 H ASN 85 -21.572 2.339 -21.802 665 HA ASN 85 HA ASN 85 -22.990 4.832 -21.187 666 HB2 ASN 85 HB2 ASN 85 -23.743 2.447 -20.616 667 HB3 ASN 85 HB3 ASN 85 -22.467 2.414 -19.399 668 HD21 ASN 85 HD21 ASN 85 -25.390 4.263 -20.420 669 HD22 ASN 85 HD22 ASN 85 -25.802 4.744 -18.781 670 H ASN 86 H ASN 86 -19.742 4.072 -21.093 671 HA ASN 86 HA ASN 86 -19.164 6.066 -18.949 672 HB2 ASN 86 HB2 ASN 86 -18.827 3.637 -18.244 673 HB3 ASN 86 HB3 ASN 86 -17.595 3.511 -19.500 674 HD21 ASN 86 HD21 ASN 86 -15.544 3.779 -18.670 675 HD22 ASN 86 HD22 ASN 86 -15.140 4.788 -17.289 676 H LEU 87 H LEU 87 -19.136 5.764 -22.153 677 HA LEU 87 HA LEU 87 -16.427 6.446 -22.862 678 HB2 LEU 87 HB2 LEU 87 -18.158 5.118 -24.180 679 HB3 LEU 87 HB3 LEU 87 -18.958 6.644 -24.540 680 HG LEU 87 HG LEU 87 -16.938 7.391 -25.800 681 HD11 LEU 87 HD11 LEU 87 -15.809 4.666 -25.026 682 HD12 LEU 87 HD12 LEU 87 -15.139 5.723 -26.291 683 HD13 LEU 87 HD13 LEU 87 -15.129 6.259 -24.613 684 HD21 LEU 87 HD21 LEU 87 -17.124 5.797 -27.644 685 HD22 LEU 87 HD22 LEU 87 -17.858 4.592 -26.561 686 HD23 LEU 87 HD23 LEU 87 -18.717 6.104 -26.933 687 H ILE 88 H ILE 88 -17.312 8.245 -20.927 688 HA ILE 88 HA ILE 88 -18.050 10.814 -22.110 689 HB ILE 88 HB ILE 88 -17.803 11.675 -19.812 690 HG12 ILE 88 HG12 ILE 88 -17.166 8.813 -18.959 691 HG13 ILE 88 HG13 ILE 88 -15.954 10.083 -19.099 692 HG21 ILE 88 HG21 ILE 88 -19.916 10.667 -20.680 693 HG22 ILE 88 HG22 ILE 88 -19.460 9.118 -19.942 694 HG23 ILE 88 HG23 ILE 88 -19.758 10.543 -18.928 695 HD11 ILE 88 HD11 ILE 88 -17.197 11.437 -17.406 696 HD12 ILE 88 HD12 ILE 88 -18.324 10.075 -17.192 697 HD13 ILE 88 HD13 ILE 88 -16.613 9.878 -16.789 698 H GLN 89 H GLN 89 -15.161 9.235 -22.176 699 HA GLN 89 HA GLN 89 -13.597 11.725 -22.601 700 HB2 GLN 89 HB2 GLN 89 -12.766 9.366 -20.854 701 HB3 GLN 89 HB3 GLN 89 -11.638 10.576 -21.477 702 HG2 GLN 89 HG2 GLN 89 -12.905 12.369 -20.314 703 HG3 GLN 89 HG3 GLN 89 -13.974 11.156 -19.611 704 HE21 GLN 89 HE21 GLN 89 -12.723 12.775 -17.831 705 HE22 GLN 89 HE22 GLN 89 -11.422 11.900 -17.035 706 H GLN 90 H GLN 90 -11.563 11.270 -23.781 707 HA GLN 90 HA GLN 90 -12.026 9.981 -26.219 708 HB2 GLN 90 HB2 GLN 90 -9.655 10.401 -26.696 709 HB3 GLN 90 HB3 GLN 90 -10.468 11.794 -25.993 710 HG2 GLN 90 HG2 GLN 90 -9.423 11.271 -23.773 711 HG3 GLN 90 HG3 GLN 90 -8.588 9.902 -24.504 712 HE21 GLN 90 HE21 GLN 90 -8.867 13.502 -24.632 713 HE22 GLN 90 HE22 GLN 90 -7.250 13.718 -25.284 714 H LYS 91 H LYS 91 -11.439 8.122 -27.211 715 HA LYS 91 HA LYS 91 -11.078 5.735 -25.591 716 HB2 LYS 91 HB2 LYS 91 -11.311 4.532 -27.734 717 HB3 LYS 91 HB3 LYS 91 -12.595 5.662 -27.397 718 HG2 LYS 91 HG2 LYS 91 -12.146 5.775 -29.717 719 HG3 LYS 91 HG3 LYS 91 -11.658 7.292 -29.003 720 HD2 LYS 91 HD2 LYS 91 -10.094 6.593 -30.740 721 HD3 LYS 91 HD3 LYS 91 -9.291 6.680 -29.191 722 HE2 LYS 91 HE2 LYS 91 -8.488 4.724 -30.304 723 HE3 LYS 91 HE3 LYS 91 -9.501 4.175 -28.971 724 HZ1 LYS 91 HZ1 LYS 91 -11.300 3.805 -30.592 725 HZ2 LYS 91 HZ2 LYS 91 -10.359 4.344 -31.816 726 HZ3 LYS 91 HZ3 LYS 91 -9.972 2.968 -31.033 727 H ASN 92 H ASN 92 -8.795 7.835 -26.535 728 HA ASN 92 HA ASN 92 -6.623 6.612 -27.676 729 HB2 ASN 92 HB2 ASN 92 -6.918 8.999 -27.058 730 HB3 ASN 92 HB3 ASN 92 -6.689 8.584 -25.355 731 HD21 ASN 92 HD21 ASN 92 -5.140 10.463 -26.023 732 HD22 ASN 92 HD22 ASN 92 -3.490 9.930 -26.383 Start of MODEL 8 1 H MET 1 H MET 1 -12.545 6.352 -34.086 2 HA MET 1 HA MET 1 -11.947 4.636 -35.566 3 HB2 MET 1 HB2 MET 1 -9.771 6.724 -36.009 4 HB3 MET 1 HB3 MET 1 -10.251 5.489 -37.176 5 HG2 MET 1 HG2 MET 1 -12.026 7.726 -36.133 6 HG3 MET 1 HG3 MET 1 -11.225 7.673 -37.697 7 HE1 MET 1 HE1 MET 1 -15.016 7.364 -38.630 8 HE2 MET 1 HE2 MET 1 -14.317 8.296 -37.287 9 HE3 MET 1 HE3 MET 1 -13.509 8.274 -38.872 10 H ALA 2 H ALA 2 -9.941 4.996 -32.950 11 HA ALA 2 HA ALA 2 -8.562 2.434 -33.408 12 HB1 ALA 2 HB1 ALA 2 -7.036 5.023 -32.849 13 HB2 ALA 2 HB2 ALA 2 -6.331 3.393 -32.918 14 HB3 ALA 2 HB3 ALA 2 -7.014 4.120 -34.381 15 H VAL 3 H VAL 3 -7.262 1.839 -31.395 16 HA VAL 3 HA VAL 3 -8.395 2.890 -28.843 17 HB VAL 3 HB VAL 3 -8.222 -0.070 -29.550 18 HG11 VAL 3 HG11 VAL 3 -9.389 -0.396 -27.375 19 HG12 VAL 3 HG12 VAL 3 -7.792 0.306 -27.154 20 HG13 VAL 3 HG13 VAL 3 -9.237 1.341 -27.038 21 HG21 VAL 3 HG21 VAL 3 -10.171 0.919 -30.667 22 HG22 VAL 3 HG22 VAL 3 -10.699 -0.059 -29.299 23 HG23 VAL 3 HG23 VAL 3 -10.666 1.713 -29.154 24 H SER 4 H SER 4 -6.947 3.027 -27.234 25 HA SER 4 HA SER 4 -4.403 1.579 -27.183 26 HB2 SER 4 HB2 SER 4 -4.045 3.536 -28.756 27 HB3 SER 4 HB3 SER 4 -4.367 4.618 -27.392 28 HG SER 4 HG SER 4 -2.104 4.126 -27.761 29 H VAL 5 H VAL 5 -3.075 2.865 -25.305 30 HA VAL 5 HA VAL 5 -4.543 2.402 -22.866 31 HB VAL 5 HB VAL 5 -2.194 1.762 -23.391 32 HG11 VAL 5 HG11 VAL 5 -1.457 4.626 -22.695 33 HG12 VAL 5 HG12 VAL 5 -0.358 3.275 -23.019 34 HG13 VAL 5 HG13 VAL 5 -1.379 3.907 -24.319 35 HG21 VAL 5 HG21 VAL 5 -3.127 1.645 -21.110 36 HG22 VAL 5 HG22 VAL 5 -1.371 1.878 -21.173 37 HG23 VAL 5 HG23 VAL 5 -2.422 3.239 -20.759 38 H THR 6 H THR 6 -5.471 4.744 -24.453 39 HA THR 6 HA THR 6 -4.892 7.241 -23.228 40 HB THR 6 HB THR 6 -7.161 7.881 -24.203 41 HG1 THR 6 HG1 THR 6 -8.130 6.304 -25.498 42 HG21 THR 6 HG21 THR 6 -5.309 6.368 -26.097 43 HG22 THR 6 HG22 THR 6 -6.484 7.627 -26.534 44 HG23 THR 6 HG23 THR 6 -5.074 8.041 -25.545 45 HA PRO 7 HA PRO 7 -7.061 7.162 -19.378 46 HB2 PRO 7 HB2 PRO 7 -8.105 9.706 -19.126 47 HB3 PRO 7 HB3 PRO 7 -6.375 9.294 -18.928 48 HG2 PRO 7 HG2 PRO 7 -7.763 10.373 -21.397 49 HG3 PRO 7 HG3 PRO 7 -6.231 10.933 -20.652 50 HD2 PRO 7 HD2 PRO 7 -6.234 9.257 -22.776 51 HD3 PRO 7 HD3 PRO 7 -5.048 9.045 -21.455 52 H ILE 8 H ILE 8 -8.991 6.577 -18.572 53 HA ILE 8 HA ILE 8 -11.565 7.207 -19.774 54 HB ILE 8 HB ILE 8 -10.625 5.362 -21.202 55 HG12 ILE 8 HG12 ILE 8 -12.502 3.860 -21.259 56 HG13 ILE 8 HG13 ILE 8 -13.053 4.374 -19.675 57 HG21 ILE 8 HG21 ILE 8 -10.413 3.084 -20.341 58 HG22 ILE 8 HG22 ILE 8 -9.302 4.166 -19.492 59 HG23 ILE 8 HG23 ILE 8 -10.799 3.626 -18.704 60 HD11 ILE 8 HD11 ILE 8 -13.569 6.626 -20.564 61 HD12 ILE 8 HD12 ILE 8 -12.880 6.166 -22.142 62 HD13 ILE 8 HD13 ILE 8 -14.349 5.373 -21.539 63 H ARG 9 H ARG 9 -13.364 6.088 -18.452 64 HA ARG 9 HA ARG 9 -13.012 6.583 -15.676 65 HB2 ARG 9 HB2 ARG 9 -15.171 6.645 -16.993 66 HB3 ARG 9 HB3 ARG 9 -15.165 4.885 -17.017 67 HG2 ARG 9 HG2 ARG 9 -16.682 5.747 -15.328 68 HG3 ARG 9 HG3 ARG 9 -15.391 4.836 -14.549 69 HD2 ARG 9 HD2 ARG 9 -14.300 6.889 -13.810 70 HD3 ARG 9 HD3 ARG 9 -15.354 7.869 -14.825 71 HE ARG 9 HE ARG 9 -17.233 7.356 -13.408 72 HH11 ARG 9 HH11 ARG 9 -17.008 7.064 -10.017 73 HH12 ARG 9 HH12 ARG 9 -18.041 7.383 -11.376 74 HH21 ARG 9 HH21 ARG 9 -14.905 6.638 -10.261 75 HH22 ARG 9 HH22 ARG 9 -14.130 6.584 -11.814 76 H ASP 10 H ASP 10 -12.865 5.286 -13.899 77 HA ASP 10 HA ASP 10 -10.955 3.342 -13.850 78 HB2 ASP 10 HB2 ASP 10 -13.171 3.666 -11.796 79 HB3 ASP 10 HB3 ASP 10 -11.554 3.015 -11.529 80 H THR 11 H THR 11 -14.299 2.376 -12.928 81 HA THR 11 HA THR 11 -13.990 -0.236 -14.341 82 HB THR 11 HB THR 11 -14.608 -1.459 -12.276 83 HG1 THR 11 HG1 THR 11 -14.525 -0.339 -10.312 84 HG21 THR 11 HG21 THR 11 -12.113 0.212 -11.781 85 HG22 THR 11 HG22 THR 11 -12.520 -1.345 -11.055 86 HG23 THR 11 HG23 THR 11 -12.196 -1.249 -12.795 87 H LYS 12 H LYS 12 -16.031 2.281 -13.917 88 HA LYS 12 HA LYS 12 -18.470 1.483 -13.016 89 HB2 LYS 12 HB2 LYS 12 -17.662 3.746 -13.865 90 HB3 LYS 12 HB3 LYS 12 -18.159 3.225 -15.482 91 HG2 LYS 12 HG2 LYS 12 -20.490 2.909 -14.609 92 HG3 LYS 12 HG3 LYS 12 -19.940 3.440 -13.006 93 HD2 LYS 12 HD2 LYS 12 -19.233 5.627 -14.060 94 HD3 LYS 12 HD3 LYS 12 -19.959 5.089 -15.576 95 HE2 LYS 12 HE2 LYS 12 -21.381 5.572 -12.914 96 HE3 LYS 12 HE3 LYS 12 -21.462 6.586 -14.357 97 HZ1 LYS 12 HZ1 LYS 12 -22.570 3.854 -14.063 98 HZ2 LYS 12 HZ2 LYS 12 -23.402 5.231 -14.335 99 HZ3 LYS 12 HZ3 LYS 12 -22.446 4.591 -15.511 100 H TRP 13 H TRP 13 -17.255 0.371 -16.116 101 HA TRP 13 HA TRP 13 -19.889 -0.953 -16.706 102 HB2 TRP 13 HB2 TRP 13 -19.511 -0.647 -18.911 103 HB3 TRP 13 HB3 TRP 13 -18.816 0.822 -18.266 104 HD1 TRP 13 HD1 TRP 13 -17.950 -2.390 -20.055 105 HE1 TRP 13 HE1 TRP 13 -15.619 -2.228 -21.102 106 HE3 TRP 13 HE3 TRP 13 -16.395 1.956 -17.849 107 HZ2 TRP 13 HZ2 TRP 13 -13.310 -0.512 -20.897 108 HZ3 TRP 13 HZ3 TRP 13 -14.107 2.795 -18.262 109 HH2 TRP 13 HH2 TRP 13 -12.549 1.584 -19.762 110 H LEU 14 H LEU 14 -17.025 -1.764 -15.315 111 HA LEU 14 HA LEU 14 -16.630 -4.356 -16.713 112 HB2 LEU 14 HB2 LEU 14 -14.893 -2.708 -14.842 113 HB3 LEU 14 HB3 LEU 14 -14.401 -4.235 -15.537 114 HG LEU 14 HG LEU 14 -15.081 -1.733 -17.155 115 HD11 LEU 14 HD11 LEU 14 -12.711 -1.518 -17.534 116 HD12 LEU 14 HD12 LEU 14 -13.008 -1.519 -15.792 117 HD13 LEU 14 HD13 LEU 14 -12.375 -2.979 -16.570 118 HD21 LEU 14 HD21 LEU 14 -15.424 -3.792 -18.489 119 HD22 LEU 14 HD22 LEU 14 -13.992 -2.913 -19.029 120 HD23 LEU 14 HD23 LEU 14 -13.794 -4.359 -18.036 121 H THR 15 H THR 15 -18.075 -3.346 -13.735 122 HA THR 15 HA THR 15 -17.178 -5.606 -12.202 123 HB THR 15 HB THR 15 -19.613 -4.025 -11.519 124 HG1 THR 15 HG1 THR 15 -18.219 -2.634 -10.439 125 HG21 THR 15 HG21 THR 15 -17.575 -5.443 -9.780 126 HG22 THR 15 HG22 THR 15 -18.955 -4.482 -9.208 127 HG23 THR 15 HG23 THR 15 -19.232 -5.974 -10.112 128 H LEU 16 H LEU 16 -17.565 -7.320 -13.636 129 HA LEU 16 HA LEU 16 -20.173 -8.150 -14.573 130 HB2 LEU 16 HB2 LEU 16 -17.389 -8.716 -15.021 131 HB3 LEU 16 HB3 LEU 16 -18.097 -10.235 -14.525 132 HG LEU 16 HG LEU 16 -19.213 -8.497 -16.766 133 HD11 LEU 16 HD11 LEU 16 -16.898 -9.240 -17.245 134 HD12 LEU 16 HD12 LEU 16 -17.372 -10.919 -16.931 135 HD13 LEU 16 HD13 LEU 16 -18.079 -10.022 -18.299 136 HD21 LEU 16 HD21 LEU 16 -20.311 -10.619 -17.472 137 HD22 LEU 16 HD22 LEU 16 -19.698 -11.413 -16.003 138 HD23 LEU 16 HD23 LEU 16 -20.872 -10.082 -15.889 139 H GLU 17 H GLU 17 -21.499 -9.903 -13.840 140 HA GLU 17 HA GLU 17 -21.254 -10.598 -11.010 141 HB2 GLU 17 HB2 GLU 17 -23.133 -11.845 -13.041 142 HB3 GLU 17 HB3 GLU 17 -23.225 -11.908 -11.279 143 HG2 GLU 17 HG2 GLU 17 -23.261 -9.230 -11.595 144 HG3 GLU 17 HG3 GLU 17 -23.929 -9.685 -13.161 145 H VAL 18 H VAL 18 -20.966 -12.693 -10.099 146 HA VAL 18 HA VAL 18 -19.181 -14.457 -11.666 147 HB VAL 18 HB VAL 18 -18.841 -15.734 -9.698 148 HG11 VAL 18 HG11 VAL 18 -18.836 -12.811 -8.847 149 HG12 VAL 18 HG12 VAL 18 -17.809 -14.122 -8.239 150 HG13 VAL 18 HG13 VAL 18 -17.632 -13.579 -9.915 151 HG21 VAL 18 HG21 VAL 18 -20.991 -14.104 -8.299 152 HG22 VAL 18 HG22 VAL 18 -21.055 -15.828 -8.681 153 HG23 VAL 18 HG23 VAL 18 -19.871 -15.226 -7.510 154 H CYS 19 H CYS 19 -19.652 -16.687 -12.127 155 HA CYS 19 HA CYS 19 -22.355 -17.180 -12.908 156 HB2 CYS 19 HB2 CYS 19 -20.431 -18.171 -14.038 157 HB3 CYS 19 HB3 CYS 19 -20.022 -19.076 -12.591 158 H ARG 20 H ARG 20 -23.994 -18.043 -11.986 159 HA ARG 20 HA ARG 20 -24.134 -18.384 -9.120 160 HB2 ARG 20 HB2 ARG 20 -26.160 -19.078 -11.294 161 HB3 ARG 20 HB3 ARG 20 -26.464 -19.071 -9.566 162 HG2 ARG 20 HG2 ARG 20 -27.354 -17.026 -10.262 163 HG3 ARG 20 HG3 ARG 20 -25.805 -16.581 -9.552 164 HD2 ARG 20 HD2 ARG 20 -24.826 -16.344 -11.819 165 HD3 ARG 20 HD3 ARG 20 -26.322 -16.911 -12.551 166 HE ARG 20 HE ARG 20 -25.685 -14.252 -11.495 167 HH11 ARG 20 HH11 ARG 20 -29.428 -14.913 -12.684 168 HH12 ARG 20 HH12 ARG 20 -28.399 -16.286 -12.383 169 HH21 ARG 20 HH21 ARG 20 -28.673 -12.869 -12.418 170 HH22 ARG 20 HH22 ARG 20 -27.020 -12.555 -11.947 171 H GLU 21 H GLU 21 -23.553 -20.633 -11.740 172 HA GLU 21 HA GLU 21 -24.191 -22.982 -10.073 173 HB2 GLU 21 HB2 GLU 21 -22.852 -22.814 -12.798 174 HB3 GLU 21 HB3 GLU 21 -23.417 -24.281 -11.986 175 HG2 GLU 21 HG2 GLU 21 -25.749 -23.309 -12.029 176 HG3 GLU 21 HG3 GLU 21 -25.129 -22.001 -13.043 177 H PHE 22 H PHE 22 -21.363 -21.189 -11.291 178 HA PHE 22 HA PHE 22 -19.271 -22.854 -10.276 179 HB2 PHE 22 HB2 PHE 22 -19.111 -21.040 -11.964 180 HB3 PHE 22 HB3 PHE 22 -19.390 -19.856 -10.707 181 HD1 PHE 22 HD1 PHE 22 -17.604 -19.192 -9.170 182 HD2 PHE 22 HD2 PHE 22 -16.982 -22.227 -12.169 183 HE1 PHE 22 HE1 PHE 22 -15.143 -18.959 -8.897 184 HE2 PHE 22 HE2 PHE 22 -14.520 -21.994 -11.890 185 HZ PHE 22 HZ PHE 22 -13.600 -20.345 -10.269 186 H GLN 23 H GLN 23 -21.337 -20.406 -8.754 187 HA GLN 23 HA GLN 23 -19.864 -20.112 -6.303 188 HB2 GLN 23 HB2 GLN 23 -22.757 -19.653 -7.096 189 HB3 GLN 23 HB3 GLN 23 -22.253 -19.446 -5.424 190 HG2 GLN 23 HG2 GLN 23 -20.873 -17.999 -7.711 191 HG3 GLN 23 HG3 GLN 23 -22.281 -17.351 -6.872 192 HE21 GLN 23 HE21 GLN 23 -22.029 -16.619 -4.641 193 HE22 GLN 23 HE22 GLN 23 -20.420 -16.411 -3.967 194 H ARG 24 H ARG 24 -21.642 -22.792 -7.465 195 HA ARG 24 HA ARG 24 -21.581 -24.138 -4.786 196 HB2 ARG 24 HB2 ARG 24 -23.629 -24.488 -7.030 197 HB3 ARG 24 HB3 ARG 24 -23.488 -25.519 -5.611 198 HG2 ARG 24 HG2 ARG 24 -25.158 -24.169 -4.907 199 HG3 ARG 24 HG3 ARG 24 -23.773 -23.310 -4.231 200 HD2 ARG 24 HD2 ARG 24 -23.853 -21.756 -6.215 201 HD3 ARG 24 HD3 ARG 24 -25.267 -22.642 -6.808 202 HE ARG 24 HE ARG 24 -25.794 -21.833 -4.139 203 HH11 ARG 24 HH11 ARG 24 -26.383 -18.926 -6.805 204 HH12 ARG 24 HH12 ARG 24 -25.400 -20.304 -7.265 205 HH21 ARG 24 HH21 ARG 24 -27.281 -18.804 -4.803 206 HH22 ARG 24 HH22 ARG 24 -27.035 -20.064 -3.631 207 H GLY 25 H GLY 25 -19.710 -23.902 -7.268 208 HA2 GLY 25 HA2 GLY 25 -18.177 -25.200 -8.345 209 HA3 GLY 25 HA3 GLY 25 -18.379 -26.361 -7.026 210 H THR 26 H THR 26 -20.889 -25.428 -9.400 211 HA THR 26 HA THR 26 -20.733 -28.162 -10.607 212 HB THR 26 HB THR 26 -22.370 -28.042 -8.760 213 HG1 THR 26 HG1 THR 26 -23.343 -28.526 -11.362 214 HG21 THR 26 HG21 THR 26 -23.244 -25.774 -9.027 215 HG22 THR 26 HG22 THR 26 -23.967 -26.208 -10.593 216 HG23 THR 26 HG23 THR 26 -24.539 -26.973 -9.095 217 H CYS 27 H CYS 27 -20.217 -25.160 -11.583 218 HA CYS 27 HA CYS 27 -21.978 -24.799 -13.801 219 HB2 CYS 27 HB2 CYS 27 -20.495 -23.026 -12.877 220 HB3 CYS 27 HB3 CYS 27 -19.080 -23.886 -13.502 221 H SER 28 H SER 28 -21.956 -25.575 -15.855 222 HA SER 28 HA SER 28 -20.340 -27.975 -16.454 223 HB2 SER 28 HB2 SER 28 -22.026 -28.342 -18.211 224 HB3 SER 28 HB3 SER 28 -22.759 -28.129 -16.617 225 HG SER 28 HG SER 28 -23.848 -26.924 -18.236 226 H ARG 29 H ARG 29 -19.689 -24.812 -16.969 227 HA ARG 29 HA ARG 29 -18.590 -25.178 -19.748 228 HB2 ARG 29 HB2 ARG 29 -19.735 -22.733 -18.368 229 HB3 ARG 29 HB3 ARG 29 -19.088 -22.760 -19.996 230 HG2 ARG 29 HG2 ARG 29 -20.885 -24.145 -20.813 231 HG3 ARG 29 HG3 ARG 29 -21.503 -24.454 -19.186 232 HD2 ARG 29 HD2 ARG 29 -21.362 -21.738 -20.509 233 HD3 ARG 29 HD3 ARG 29 -22.824 -22.732 -20.402 234 HE ARG 29 HE ARG 29 -21.583 -21.154 -18.220 235 HH11 ARG 29 HH11 ARG 29 -23.593 -22.184 -15.760 236 HH12 ARG 29 HH12 ARG 29 -22.279 -21.135 -16.242 237 HH21 ARG 29 HH21 ARG 29 -24.339 -23.612 -16.924 238 HH22 ARG 29 HH22 ARG 29 -23.732 -23.970 -18.543 239 HA PRO 30 HA PRO 30 -14.744 -23.539 -18.013 240 HB2 PRO 30 HB2 PRO 30 -13.439 -22.766 -20.262 241 HB3 PRO 30 HB3 PRO 30 -13.750 -24.495 -19.918 242 HG2 PRO 30 HG2 PRO 30 -15.346 -22.633 -21.700 243 HG3 PRO 30 HG3 PRO 30 -14.747 -24.278 -22.082 244 HD2 PRO 30 HD2 PRO 30 -17.306 -23.792 -21.200 245 HD3 PRO 30 HD3 PRO 30 -16.424 -25.290 -20.788 246 H ASP 31 H ASP 31 -13.632 -21.393 -17.892 247 HA ASP 31 HA ASP 31 -15.367 -19.170 -17.552 248 HB2 ASP 31 HB2 ASP 31 -13.373 -17.875 -17.228 249 HB3 ASP 31 HB3 ASP 31 -13.159 -19.447 -16.458 250 H THR 32 H THR 32 -13.717 -20.269 -20.399 251 HA THR 32 HA THR 32 -13.942 -17.849 -21.949 252 HB THR 32 HB THR 32 -13.406 -19.402 -23.895 253 HG1 THR 32 HG1 THR 32 -12.727 -21.469 -23.301 254 HG21 THR 32 HG21 THR 32 -11.525 -19.513 -21.501 255 HG22 THR 32 HG22 THR 32 -11.090 -19.748 -23.209 256 HG23 THR 32 HG23 THR 32 -11.657 -18.165 -22.654 257 H GLU 33 H GLU 33 -16.312 -20.298 -21.250 258 HA GLU 33 HA GLU 33 -17.973 -19.378 -23.584 259 HB2 GLU 33 HB2 GLU 33 -17.343 -22.046 -22.711 260 HB3 GLU 33 HB3 GLU 33 -19.013 -21.804 -22.341 261 HG2 GLU 33 HG2 GLU 33 -17.692 -21.457 -25.057 262 HG3 GLU 33 HG3 GLU 33 -18.769 -22.759 -24.563 263 H CYS 34 H CYS 34 -18.001 -19.872 -20.055 264 HA CYS 34 HA CYS 34 -20.752 -19.798 -19.716 265 HB2 CYS 34 HB2 CYS 34 -18.903 -20.394 -18.080 266 HB3 CYS 34 HB3 CYS 34 -18.805 -18.664 -17.699 267 H LYS 35 H LYS 35 -22.220 -18.346 -19.051 268 HA LYS 35 HA LYS 35 -22.123 -15.732 -20.398 269 HB2 LYS 35 HB2 LYS 35 -24.452 -17.004 -18.918 270 HB3 LYS 35 HB3 LYS 35 -24.516 -15.717 -20.121 271 HG2 LYS 35 HG2 LYS 35 -23.807 -18.644 -20.597 272 HG3 LYS 35 HG3 LYS 35 -25.267 -17.812 -21.106 273 HD2 LYS 35 HD2 LYS 35 -24.043 -16.449 -22.700 274 HD3 LYS 35 HD3 LYS 35 -22.487 -17.071 -22.152 275 HE2 LYS 35 HE2 LYS 35 -24.651 -18.806 -23.418 276 HE3 LYS 35 HE3 LYS 35 -23.321 -18.049 -24.296 277 HZ1 LYS 35 HZ1 LYS 35 -23.075 -20.145 -22.229 278 HZ2 LYS 35 HZ2 LYS 35 -22.548 -20.215 -23.781 279 HZ3 LYS 35 HZ3 LYS 35 -21.788 -19.260 -22.734 280 H PHE 36 H PHE 36 -20.994 -16.573 -17.570 281 HA PHE 36 HA PHE 36 -21.172 -13.884 -16.377 282 HB2 PHE 36 HB2 PHE 36 -21.636 -16.447 -14.837 283 HB3 PHE 36 HB3 PHE 36 -21.545 -14.831 -14.142 284 HD1 PHE 36 HD1 PHE 36 -23.328 -13.090 -14.970 285 HD2 PHE 36 HD2 PHE 36 -23.745 -17.365 -15.331 286 HE1 PHE 36 HE1 PHE 36 -25.797 -12.835 -15.125 287 HE2 PHE 36 HE2 PHE 36 -26.212 -17.108 -15.510 288 HZ PHE 36 HZ PHE 36 -27.240 -14.844 -15.404 289 H ALA 37 H ALA 37 -19.394 -13.809 -14.530 290 HA ALA 37 HA ALA 37 -16.949 -14.823 -15.782 291 HB1 ALA 37 HB1 ALA 37 -17.483 -13.053 -13.376 292 HB2 ALA 37 HB2 ALA 37 -15.889 -13.364 -14.106 293 HB3 ALA 37 HB3 ALA 37 -17.137 -12.515 -15.037 294 H HIS 38 H HIS 38 -15.272 -15.946 -14.746 295 HA HIS 38 HA HIS 38 -15.934 -17.604 -12.351 296 HB2 HIS 38 HB2 HIS 38 -14.514 -18.449 -14.911 297 HB3 HIS 38 HB3 HIS 38 -14.477 -19.372 -13.408 298 HD1 HIS 38 HD1 HIS 38 -15.686 -20.707 -15.970 299 HD2 HIS 38 HD2 HIS 38 -17.864 -18.563 -13.082 300 HE1 HIS 38 HE1 HIS 38 -18.128 -21.400 -16.236 301 HA PRO 39 HA PRO 39 -12.185 -15.053 -11.447 302 HB2 PRO 39 HB2 PRO 39 -12.384 -15.166 -8.673 303 HB3 PRO 39 HB3 PRO 39 -13.196 -13.973 -9.717 304 HG2 PRO 39 HG2 PRO 39 -14.293 -16.541 -8.563 305 HG3 PRO 39 HG3 PRO 39 -15.082 -14.935 -8.629 306 HD2 PRO 39 HD2 PRO 39 -15.668 -16.886 -10.409 307 HD3 PRO 39 HD3 PRO 39 -15.585 -15.178 -10.930 308 H SER 40 H SER 40 -10.116 -15.512 -10.791 309 HA SER 40 HA SER 40 -9.366 -18.338 -10.382 310 HB2 SER 40 HB2 SER 40 -7.145 -17.624 -10.857 311 HB3 SER 40 HB3 SER 40 -8.186 -16.752 -12.003 312 HG SER 40 HG SER 40 -6.663 -15.364 -11.030 313 H LYS 41 H LYS 41 -7.221 -18.387 -8.953 314 HA LYS 41 HA LYS 41 -7.868 -18.117 -6.168 315 HB2 LYS 41 HB2 LYS 41 -5.275 -18.553 -7.706 316 HB3 LYS 41 HB3 LYS 41 -5.375 -18.612 -5.934 317 HG2 LYS 41 HG2 LYS 41 -7.104 -20.418 -6.116 318 HG3 LYS 41 HG3 LYS 41 -6.859 -20.454 -7.866 319 HD2 LYS 41 HD2 LYS 41 -4.726 -21.027 -5.760 320 HD3 LYS 41 HD3 LYS 41 -5.628 -22.243 -6.674 321 HE2 LYS 41 HE2 LYS 41 -4.694 -21.331 -8.801 322 HE3 LYS 41 HE3 LYS 41 -3.752 -20.153 -7.874 323 HZ1 LYS 41 HZ1 LYS 41 -3.469 -23.104 -7.660 324 HZ2 LYS 41 HZ2 LYS 41 -2.425 -22.109 -8.419 325 HZ3 LYS 41 HZ3 LYS 41 -2.604 -22.018 -6.800 326 H SER 42 H SER 42 -6.602 -15.763 -8.406 327 HA SER 42 HA SER 42 -5.728 -13.977 -6.159 328 HB2 SER 42 HB2 SER 42 -5.032 -13.843 -9.111 329 HB3 SER 42 HB3 SER 42 -4.472 -12.731 -7.851 330 HG SER 42 HG SER 42 -3.544 -14.603 -6.789 331 H CYS 43 H CYS 43 -8.205 -14.229 -8.659 332 HA CYS 43 HA CYS 43 -8.779 -11.472 -8.952 333 HB2 CYS 43 HB2 CYS 43 -10.551 -13.917 -9.238 334 HB3 CYS 43 HB3 CYS 43 -10.994 -12.283 -9.762 335 HG CYS 43 HG CYS 43 -8.268 -13.964 -10.689 336 H GLN 44 H GLN 44 -9.974 -10.008 -7.845 337 HA GLN 44 HA GLN 44 -10.926 -10.709 -5.139 338 HB2 GLN 44 HB2 GLN 44 -10.676 -8.106 -6.698 339 HB3 GLN 44 HB3 GLN 44 -11.563 -8.206 -5.168 340 HG2 GLN 44 HG2 GLN 44 -9.566 -9.149 -4.049 341 HG3 GLN 44 HG3 GLN 44 -8.646 -9.001 -5.551 342 HE21 GLN 44 HE21 GLN 44 -10.643 -6.933 -3.303 343 HE22 GLN 44 HE22 GLN 44 -9.579 -5.545 -3.469 344 H VAL 45 H VAL 45 -12.982 -10.711 -4.400 345 HA VAL 45 HA VAL 45 -15.230 -10.493 -6.349 346 HB VAL 45 HB VAL 45 -15.044 -12.610 -4.181 347 HG11 VAL 45 HG11 VAL 45 -16.847 -13.720 -5.453 348 HG12 VAL 45 HG12 VAL 45 -17.333 -12.107 -4.935 349 HG13 VAL 45 HG13 VAL 45 -16.848 -12.385 -6.621 350 HG21 VAL 45 HG21 VAL 45 -14.602 -14.316 -5.888 351 HG22 VAL 45 HG22 VAL 45 -14.383 -13.051 -7.106 352 HG23 VAL 45 HG23 VAL 45 -13.259 -13.187 -5.741 353 H GLU 46 H GLU 46 -17.061 -9.521 -5.561 354 HA GLU 46 HA GLU 46 -17.458 -9.080 -2.649 355 HB2 GLU 46 HB2 GLU 46 -17.288 -6.819 -4.692 356 HB3 GLU 46 HB3 GLU 46 -17.978 -6.672 -3.074 357 HG2 GLU 46 HG2 GLU 46 -15.758 -7.361 -2.110 358 HG3 GLU 46 HG3 GLU 46 -15.077 -7.296 -3.742 359 H ASN 47 H ASN 47 -19.537 -9.244 -2.111 360 HA ASN 47 HA ASN 47 -21.705 -9.867 -2.276 361 HB2 ASN 47 HB2 ASN 47 -21.477 -7.323 -2.138 362 HB3 ASN 47 HB3 ASN 47 -21.866 -7.295 -3.863 363 HD21 ASN 47 HD21 ASN 47 -23.822 -6.107 -3.518 364 HD22 ASN 47 HD22 ASN 47 -25.210 -6.856 -2.741 365 H GLY 48 H GLY 48 -20.448 -11.330 -4.344 366 HA2 GLY 48 HA2 GLY 48 -21.360 -12.854 -5.885 367 HA3 GLY 48 HA3 GLY 48 -22.801 -11.848 -6.044 368 H ARG 49 H ARG 49 -19.856 -10.102 -6.462 369 HA ARG 49 HA ARG 49 -19.789 -10.476 -9.406 370 HB2 ARG 49 HB2 ARG 49 -19.844 -7.667 -8.206 371 HB3 ARG 49 HB3 ARG 49 -19.865 -8.159 -9.889 372 HG2 ARG 49 HG2 ARG 49 -22.099 -9.268 -9.493 373 HG3 ARG 49 HG3 ARG 49 -22.116 -8.544 -7.879 374 HD2 ARG 49 HD2 ARG 49 -22.103 -6.316 -8.803 375 HD3 ARG 49 HD3 ARG 49 -21.824 -6.936 -10.444 376 HE ARG 49 HE ARG 49 -24.130 -8.203 -9.889 377 HH11 ARG 49 HH11 ARG 49 -25.133 -4.368 -9.714 378 HH12 ARG 49 HH12 ARG 49 -23.463 -4.781 -9.432 379 HH21 ARG 49 HH21 ARG 49 -26.629 -5.990 -10.173 380 HH22 ARG 49 HH22 ARG 49 -26.066 -7.661 -10.269 381 H VAL 50 H VAL 50 -18.019 -9.443 -10.391 382 HA VAL 50 HA VAL 50 -15.459 -9.249 -8.872 383 HB VAL 50 HB VAL 50 -14.429 -10.506 -10.818 384 HG11 VAL 50 HG11 VAL 50 -16.232 -11.958 -8.880 385 HG12 VAL 50 HG12 VAL 50 -15.090 -12.784 -9.952 386 HG13 VAL 50 HG13 VAL 50 -14.496 -11.623 -8.762 387 HG21 VAL 50 HG21 VAL 50 -16.330 -10.469 -12.417 388 HG22 VAL 50 HG22 VAL 50 -15.761 -12.109 -12.060 389 HG23 VAL 50 HG23 VAL 50 -17.254 -11.530 -11.329 390 H ILE 51 H ILE 51 -13.758 -8.367 -10.694 391 HA ILE 51 HA ILE 51 -15.189 -6.333 -12.394 392 HB ILE 51 HB ILE 51 -12.718 -5.879 -10.690 393 HG12 ILE 51 HG12 ILE 51 -15.534 -4.774 -10.493 394 HG13 ILE 51 HG13 ILE 51 -14.759 -5.891 -9.361 395 HG21 ILE 51 HG21 ILE 51 -12.777 -3.584 -11.554 396 HG22 ILE 51 HG22 ILE 51 -12.644 -4.671 -12.906 397 HG23 ILE 51 HG23 ILE 51 -14.222 -3.947 -12.529 398 HD11 ILE 51 HD11 ILE 51 -14.070 -2.970 -9.783 399 HD12 ILE 51 HD12 ILE 51 -14.762 -3.741 -8.353 400 HD13 ILE 51 HD13 ILE 51 -13.084 -4.100 -8.816 401 H ALA 52 H ALA 52 -14.559 -6.363 -14.478 402 HA ALA 52 HA ALA 52 -12.579 -8.249 -15.412 403 HB1 ALA 52 HB1 ALA 52 -14.275 -6.165 -16.822 404 HB2 ALA 52 HB2 ALA 52 -13.218 -7.330 -17.648 405 HB3 ALA 52 HB3 ALA 52 -14.593 -7.899 -16.681 406 H CYS 53 H CYS 53 -10.645 -7.868 -16.499 407 HA CYS 53 HA CYS 53 -9.019 -5.835 -15.351 408 HB2 CYS 53 HB2 CYS 53 -8.334 -8.167 -15.880 409 HB3 CYS 53 HB3 CYS 53 -8.323 -7.753 -17.597 410 H PHE 54 H PHE 54 -9.430 -3.821 -15.837 411 HA PHE 54 HA PHE 54 -9.946 -2.697 -18.438 412 HB2 PHE 54 HB2 PHE 54 -9.227 -0.543 -17.357 413 HB3 PHE 54 HB3 PHE 54 -10.532 -1.370 -16.546 414 HD1 PHE 54 HD1 PHE 54 -10.287 -2.330 -14.319 415 HD2 PHE 54 HD2 PHE 54 -6.970 -0.403 -16.297 416 HE1 PHE 54 HE1 PHE 54 -9.030 -2.299 -12.184 417 HE2 PHE 54 HE2 PHE 54 -5.699 -0.406 -14.178 418 HZ PHE 54 HZ PHE 54 -6.728 -1.345 -12.102 419 H ASP 55 H ASP 55 -6.936 -3.383 -16.635 420 HA ASP 55 HA ASP 55 -5.140 -2.055 -18.433 421 HB2 ASP 55 HB2 ASP 55 -4.724 -4.421 -16.571 422 HB3 ASP 55 HB3 ASP 55 -3.444 -3.653 -17.494 423 H SER 56 H SER 56 -6.401 -5.469 -18.421 424 HA SER 56 HA SER 56 -4.890 -6.279 -20.713 425 HB2 SER 56 HB2 SER 56 -5.885 -7.869 -19.186 426 HB3 SER 56 HB3 SER 56 -7.522 -7.361 -19.633 427 HG SER 56 HG SER 56 -6.690 -9.271 -20.739 428 H LEU 57 H LEU 57 -8.183 -4.858 -20.465 429 HA LEU 57 HA LEU 57 -8.764 -4.952 -23.289 430 HB2 LEU 57 HB2 LEU 57 -9.826 -3.357 -20.936 431 HB3 LEU 57 HB3 LEU 57 -10.407 -3.037 -22.563 432 HG LEU 57 HG LEU 57 -10.521 -5.818 -21.341 433 HD11 LEU 57 HD11 LEU 57 -11.819 -4.275 -19.934 434 HD12 LEU 57 HD12 LEU 57 -12.654 -3.635 -21.368 435 HD13 LEU 57 HD13 LEU 57 -12.907 -5.319 -20.858 436 HD21 LEU 57 HD21 LEU 57 -10.745 -5.760 -23.800 437 HD22 LEU 57 HD22 LEU 57 -12.288 -6.168 -23.049 438 HD23 LEU 57 HD23 LEU 57 -12.015 -4.525 -23.666 439 H LYS 58 H LYS 58 -7.154 -2.472 -21.307 440 HA LYS 58 HA LYS 58 -6.965 -0.587 -23.573 441 HB2 LYS 58 HB2 LYS 58 -6.022 -0.454 -20.681 442 HB3 LYS 58 HB3 LYS 58 -5.862 0.863 -21.825 443 HG2 LYS 58 HG2 LYS 58 -8.535 -0.374 -21.018 444 HG3 LYS 58 HG3 LYS 58 -7.837 1.046 -20.258 445 HD2 LYS 58 HD2 LYS 58 -8.540 0.888 -23.224 446 HD3 LYS 58 HD3 LYS 58 -9.632 1.488 -21.973 447 HE2 LYS 58 HE2 LYS 58 -8.139 3.293 -21.385 448 HE3 LYS 58 HE3 LYS 58 -6.850 2.650 -22.404 449 HZ1 LYS 58 HZ1 LYS 58 -9.440 3.572 -23.517 450 HZ2 LYS 58 HZ2 LYS 58 -8.088 4.503 -23.436 451 HZ3 LYS 58 HZ3 LYS 58 -8.061 3.164 -24.336 452 H GLY 59 H GLY 59 -5.100 -3.201 -22.709 453 HA2 GLY 59 HA2 GLY 59 -3.162 -3.971 -23.745 454 HA3 GLY 59 HA3 GLY 59 -2.966 -2.418 -24.559 455 H ARG 60 H ARG 60 -3.184 -3.069 -21.075 456 HA ARG 60 HA ARG 60 -0.390 -2.059 -20.624 457 HB2 ARG 60 HB2 ARG 60 -2.217 -0.435 -20.154 458 HB3 ARG 60 HB3 ARG 60 -2.912 -1.548 -18.978 459 HG2 ARG 60 HG2 ARG 60 -0.993 -1.322 -17.518 460 HG3 ARG 60 HG3 ARG 60 -0.098 -0.404 -18.751 461 HD2 ARG 60 HD2 ARG 60 -1.720 1.422 -18.623 462 HD3 ARG 60 HD3 ARG 60 -2.727 0.519 -17.501 463 HE ARG 60 HE ARG 60 -0.153 1.864 -16.939 464 HH11 ARG 60 HH11 ARG 60 -2.109 0.093 -13.944 465 HH12 ARG 60 HH12 ARG 60 -2.665 -0.229 -15.565 466 HH21 ARG 60 HH21 ARG 60 -0.415 1.417 -13.550 467 HH22 ARG 60 HH22 ARG 60 0.450 2.193 -14.844 468 H CYS 61 H CYS 61 -2.654 -4.628 -19.813 469 HA CYS 61 HA CYS 61 -1.359 -5.364 -17.364 470 HB2 CYS 61 HB2 CYS 61 -3.749 -5.875 -18.098 471 HB3 CYS 61 HB3 CYS 61 -3.092 -7.202 -19.051 472 H SER 62 H SER 62 0.144 -6.731 -16.885 473 HA SER 62 HA SER 62 1.401 -8.644 -18.769 474 HB2 SER 62 HB2 SER 62 2.976 -6.496 -17.278 475 HB3 SER 62 HB3 SER 62 3.678 -7.836 -18.200 476 HG SER 62 HG SER 62 3.612 -5.891 -19.408 477 H ARG 63 H ARG 63 -0.133 -8.400 -16.009 478 HA ARG 63 HA ARG 63 1.631 -9.453 -13.963 479 HB2 ARG 63 HB2 ARG 63 -1.397 -9.234 -14.254 480 HB3 ARG 63 HB3 ARG 63 -0.610 -9.853 -12.802 481 HG2 ARG 63 HG2 ARG 63 0.592 -7.733 -12.490 482 HG3 ARG 63 HG3 ARG 63 -0.181 -7.049 -13.929 483 HD2 ARG 63 HD2 ARG 63 -1.715 -8.135 -11.527 484 HD3 ARG 63 HD3 ARG 63 -1.231 -6.449 -11.675 485 HE ARG 63 HE ARG 63 -3.260 -7.854 -13.399 486 HH11 ARG 63 HH11 ARG 63 -3.054 -3.927 -13.650 487 HH12 ARG 63 HH12 ARG 63 -1.792 -4.692 -12.672 488 HH21 ARG 63 HH21 ARG 63 -4.486 -5.006 -14.669 489 HH22 ARG 63 HH22 ARG 63 -4.548 -6.755 -14.644 490 H GLU 64 H GLU 64 1.423 -11.294 -12.840 491 HA GLU 64 HA GLU 64 0.771 -13.810 -14.331 492 HB2 GLU 64 HB2 GLU 64 2.524 -14.850 -13.007 493 HB3 GLU 64 HB3 GLU 64 3.165 -13.518 -13.955 494 HG2 GLU 64 HG2 GLU 64 2.442 -13.260 -11.004 495 HG3 GLU 64 HG3 GLU 64 4.018 -13.799 -11.559 496 H ASN 65 H ASN 65 -0.189 -11.882 -11.781 497 HA ASN 65 HA ASN 65 -1.950 -13.927 -10.562 498 HB2 ASN 65 HB2 ASN 65 0.206 -12.274 -9.196 499 HB3 ASN 65 HB3 ASN 65 -1.238 -12.746 -8.300 500 HD21 ASN 65 HD21 ASN 65 -1.839 -15.117 -8.323 501 HD22 ASN 65 HD22 ASN 65 -0.481 -16.237 -8.225 502 H CYS 66 H CYS 66 -2.596 -12.045 -12.502 503 HA CYS 66 HA CYS 66 -3.420 -9.524 -11.694 504 HB2 CYS 66 HB2 CYS 66 -3.251 -10.544 -14.016 505 HB3 CYS 66 HB3 CYS 66 -4.829 -11.293 -13.729 506 H LYS 67 H LYS 67 -4.992 -8.713 -10.515 507 HA LYS 67 HA LYS 67 -6.771 -10.477 -8.990 508 HB2 LYS 67 HB2 LYS 67 -6.675 -7.457 -8.813 509 HB3 LYS 67 HB3 LYS 67 -7.224 -8.632 -7.604 510 HG2 LYS 67 HG2 LYS 67 -4.815 -9.495 -7.535 511 HG3 LYS 67 HG3 LYS 67 -4.372 -8.066 -8.492 512 HD2 LYS 67 HD2 LYS 67 -5.767 -8.025 -5.779 513 HD3 LYS 67 HD3 LYS 67 -4.035 -7.772 -6.019 514 HE2 LYS 67 HE2 LYS 67 -4.381 -5.724 -7.227 515 HE3 LYS 67 HE3 LYS 67 -6.118 -6.026 -7.391 516 HZ1 LYS 67 HZ1 LYS 67 -6.405 -5.752 -5.056 517 HZ2 LYS 67 HZ2 LYS 67 -4.792 -5.556 -4.784 518 HZ3 LYS 67 HZ3 LYS 67 -5.631 -4.426 -5.619 519 H TYR 68 H TYR 68 -7.118 -9.252 -11.958 520 HA TYR 68 HA TYR 68 -10.058 -8.767 -11.726 521 HB2 TYR 68 HB2 TYR 68 -8.034 -7.465 -13.573 522 HB3 TYR 68 HB3 TYR 68 -9.764 -7.167 -13.545 523 HD1 TYR 68 HD1 TYR 68 -6.556 -6.541 -11.811 524 HD2 TYR 68 HD2 TYR 68 -10.817 -5.878 -11.741 525 HE1 TYR 68 HE1 TYR 68 -6.246 -4.728 -10.135 526 HE2 TYR 68 HE2 TYR 68 -10.507 -4.074 -10.043 527 HH TYR 68 HH TYR 68 -7.267 -3.141 -8.830 528 H LEU 69 H LEU 69 -11.335 -9.341 -13.499 529 HA LEU 69 HA LEU 69 -10.602 -11.921 -14.636 530 HB2 LEU 69 HB2 LEU 69 -13.073 -10.183 -14.522 531 HB3 LEU 69 HB3 LEU 69 -13.003 -11.433 -15.742 532 HG LEU 69 HG LEU 69 -14.174 -12.070 -13.680 533 HD11 LEU 69 HD11 LEU 69 -13.209 -13.769 -15.204 534 HD12 LEU 69 HD12 LEU 69 -11.710 -13.770 -14.252 535 HD13 LEU 69 HD13 LEU 69 -13.233 -14.310 -13.518 536 HD21 LEU 69 HD21 LEU 69 -12.637 -10.942 -12.047 537 HD22 LEU 69 HD22 LEU 69 -13.025 -12.630 -11.645 538 HD23 LEU 69 HD23 LEU 69 -11.457 -12.217 -12.359 539 H HIS 70 H HIS 70 -9.435 -12.175 -16.439 540 HA HIS 70 HA HIS 70 -9.184 -10.103 -18.470 541 HB2 HIS 70 HB2 HIS 70 -8.251 -12.947 -18.275 542 HB3 HIS 70 HB3 HIS 70 -8.154 -12.061 -19.790 543 HD1 HIS 70 HD1 HIS 70 -5.465 -12.021 -19.710 544 HD2 HIS 70 HD2 HIS 70 -7.485 -10.013 -16.612 545 HE1 HIS 70 HE1 HIS 70 -3.791 -10.390 -18.673 546 HA PRO 71 HA PRO 71 -13.311 -10.841 -19.991 547 HB2 PRO 71 HB2 PRO 71 -12.099 -9.498 -22.410 548 HB3 PRO 71 HB3 PRO 71 -13.742 -9.300 -21.713 549 HG2 PRO 71 HG2 PRO 71 -11.829 -7.541 -21.101 550 HG3 PRO 71 HG3 PRO 71 -12.800 -8.222 -19.757 551 HD2 PRO 71 HD2 PRO 71 -10.040 -9.075 -20.699 552 HD3 PRO 71 HD3 PRO 71 -10.616 -8.749 -19.045 553 HA PRO 72 HA PRO 72 -12.553 -14.531 -22.569 554 HB2 PRO 72 HB2 PRO 72 -14.854 -15.890 -22.029 555 HB3 PRO 72 HB3 PRO 72 -13.502 -15.775 -20.848 556 HG2 PRO 72 HG2 PRO 72 -16.042 -14.147 -20.988 557 HG3 PRO 72 HG3 PRO 72 -15.309 -14.928 -19.553 558 HD2 PRO 72 HD2 PRO 72 -14.932 -12.263 -20.158 559 HD3 PRO 72 HD3 PRO 72 -13.694 -13.251 -19.336 560 HA PRO 73 HA PRO 73 -14.478 -13.457 -26.402 561 HB2 PRO 73 HB2 PRO 73 -15.380 -16.349 -26.521 562 HB3 PRO 73 HB3 PRO 73 -14.691 -15.333 -27.827 563 HG2 PRO 73 HG2 PRO 73 -13.103 -17.052 -26.476 564 HG3 PRO 73 HG3 PRO 73 -12.522 -15.390 -26.822 565 HD2 PRO 73 HD2 PRO 73 -13.607 -16.505 -24.239 566 HD3 PRO 73 HD3 PRO 73 -12.266 -15.349 -24.522 567 H HIS 74 H HIS 74 -16.738 -15.561 -24.495 568 HA HIS 74 HA HIS 74 -19.055 -14.420 -25.816 569 HB2 HIS 74 HB2 HIS 74 -18.618 -16.748 -24.398 570 HB3 HIS 74 HB3 HIS 74 -19.541 -15.817 -23.231 571 HD1 HIS 74 HD1 HIS 74 -20.153 -18.260 -25.802 572 HD2 HIS 74 HD2 HIS 74 -21.880 -14.533 -24.775 573 HE1 HIS 74 HE1 HIS 74 -22.410 -18.134 -27.018 574 HE2 HIS 74 HE2 HIS 74 -23.471 -15.874 -26.363 575 H LEU 75 H LEU 75 -17.165 -13.093 -23.302 576 HA LEU 75 HA LEU 75 -19.461 -11.349 -22.453 577 HB2 LEU 75 HB2 LEU 75 -16.948 -12.004 -20.913 578 HB3 LEU 75 HB3 LEU 75 -18.239 -10.937 -20.387 579 HG LEU 75 HG LEU 75 -18.544 -13.931 -20.886 580 HD11 LEU 75 HD11 LEU 75 -18.663 -12.429 -18.249 581 HD12 LEU 75 HD12 LEU 75 -18.699 -14.180 -18.519 582 HD13 LEU 75 HD13 LEU 75 -17.215 -13.277 -18.830 583 HD21 LEU 75 HD21 LEU 75 -20.673 -12.804 -21.316 584 HD22 LEU 75 HD22 LEU 75 -20.746 -13.611 -19.754 585 HD23 LEU 75 HD23 LEU 75 -20.510 -11.851 -19.823 586 H LYS 76 H LYS 76 -16.354 -11.252 -24.056 587 HA LYS 76 HA LYS 76 -15.670 -8.508 -23.693 588 HB2 LYS 76 HB2 LYS 76 -15.364 -10.442 -26.015 589 HB3 LYS 76 HB3 LYS 76 -14.850 -8.755 -26.157 590 HG2 LYS 76 HG2 LYS 76 -13.292 -8.946 -24.335 591 HG3 LYS 76 HG3 LYS 76 -13.918 -10.542 -23.888 592 HD2 LYS 76 HD2 LYS 76 -11.788 -10.777 -25.015 593 HD3 LYS 76 HD3 LYS 76 -13.074 -11.516 -25.973 594 HE2 LYS 76 HE2 LYS 76 -13.136 -9.509 -27.441 595 HE3 LYS 76 HE3 LYS 76 -11.902 -8.730 -26.441 596 HZ1 LYS 76 HZ1 LYS 76 -10.922 -9.759 -28.407 597 HZ2 LYS 76 HZ2 LYS 76 -10.360 -10.512 -27.075 598 HZ3 LYS 76 HZ3 LYS 76 -11.500 -11.230 -28.002 599 H THR 77 H THR 77 -18.131 -9.938 -25.832 600 HA THR 77 HA THR 77 -18.935 -7.565 -27.204 601 HB THR 77 HB THR 77 -20.664 -9.956 -26.470 602 HG1 THR 77 HG1 THR 77 -19.918 -10.799 -28.438 603 HG21 THR 77 HG21 THR 77 -20.752 -7.993 -28.808 604 HG22 THR 77 HG22 THR 77 -21.780 -9.437 -28.636 605 HG23 THR 77 HG23 THR 77 -21.935 -8.102 -27.486 606 H GLN 78 H GLN 78 -20.024 -9.013 -24.109 607 HA GLN 78 HA GLN 78 -22.203 -7.152 -23.681 608 HB2 GLN 78 HB2 GLN 78 -20.665 -8.915 -21.720 609 HB3 GLN 78 HB3 GLN 78 -22.199 -8.104 -21.398 610 HG2 GLN 78 HG2 GLN 78 -21.702 -10.362 -23.393 611 HG3 GLN 78 HG3 GLN 78 -22.570 -10.467 -21.868 612 HE21 GLN 78 HE21 GLN 78 -24.700 -9.295 -21.703 613 HE22 GLN 78 HE22 GLN 78 -25.583 -8.999 -23.193 614 H LEU 79 H LEU 79 -18.818 -7.351 -22.530 615 HA LEU 79 HA LEU 79 -18.901 -4.990 -20.908 616 HB2 LEU 79 HB2 LEU 79 -16.584 -6.374 -22.316 617 HB3 LEU 79 HB3 LEU 79 -16.401 -5.072 -21.144 618 HG LEU 79 HG LEU 79 -17.616 -7.810 -20.571 619 HD11 LEU 79 HD11 LEU 79 -15.015 -6.535 -19.653 620 HD12 LEU 79 HD12 LEU 79 -15.604 -8.169 -19.258 621 HD13 LEU 79 HD13 LEU 79 -15.179 -7.763 -20.928 622 HD21 LEU 79 HD21 LEU 79 -17.459 -7.063 -18.167 623 HD22 LEU 79 HD22 LEU 79 -17.184 -5.411 -18.757 624 HD23 LEU 79 HD23 LEU 79 -18.712 -6.253 -19.106 625 H GLU 80 H GLU 80 -17.904 -5.311 -24.409 626 HA GLU 80 HA GLU 80 -17.328 -2.492 -24.569 627 HB2 GLU 80 HB2 GLU 80 -17.211 -2.691 -26.900 628 HB3 GLU 80 HB3 GLU 80 -16.439 -4.100 -26.185 629 HG2 GLU 80 HG2 GLU 80 -18.290 -5.521 -26.804 630 HG3 GLU 80 HG3 GLU 80 -19.279 -4.145 -27.290 631 H ILE 81 H ILE 81 -20.388 -4.204 -24.813 632 HA ILE 81 HA ILE 81 -21.907 -1.915 -25.826 633 HB ILE 81 HB ILE 81 -22.671 -4.572 -24.571 634 HG12 ILE 81 HG12 ILE 81 -23.184 -3.375 -27.336 635 HG13 ILE 81 HG13 ILE 81 -21.816 -4.410 -26.956 636 HG21 ILE 81 HG21 ILE 81 -25.053 -4.009 -25.040 637 HG22 ILE 81 HG22 ILE 81 -24.384 -2.961 -23.806 638 HG23 ILE 81 HG23 ILE 81 -24.574 -2.353 -25.467 639 HD11 ILE 81 HD11 ILE 81 -23.470 -5.774 -28.001 640 HD12 ILE 81 HD12 ILE 81 -23.422 -6.234 -26.287 641 HD13 ILE 81 HD13 ILE 81 -24.745 -5.217 -26.909 642 H ASN 82 H ASN 82 -21.265 -3.281 -22.547 643 HA ASN 82 HA ASN 82 -22.737 -1.262 -21.122 644 HB2 ASN 82 HB2 ASN 82 -20.301 -2.850 -20.187 645 HB3 ASN 82 HB3 ASN 82 -21.387 -1.928 -19.167 646 HD21 ASN 82 HD21 ASN 82 -20.835 -4.603 -18.696 647 HD22 ASN 82 HD22 ASN 82 -22.331 -5.498 -18.945 648 H GLY 83 H GLY 83 -19.389 -1.341 -22.357 649 HA2 GLY 83 HA2 GLY 83 -18.378 1.017 -21.132 650 HA3 GLY 83 HA3 GLY 83 -17.824 0.318 -22.663 651 H ARG 84 H ARG 84 -19.971 0.605 -24.353 652 HA ARG 84 HA ARG 84 -20.015 3.386 -25.098 653 HB2 ARG 84 HB2 ARG 84 -21.859 1.065 -25.815 654 HB3 ARG 84 HB3 ARG 84 -22.008 2.679 -26.517 655 HG2 ARG 84 HG2 ARG 84 -19.748 2.542 -27.465 656 HG3 ARG 84 HG3 ARG 84 -19.509 0.949 -26.726 657 HD2 ARG 84 HD2 ARG 84 -21.541 0.128 -28.003 658 HD3 ARG 84 HD3 ARG 84 -21.624 1.700 -28.794 659 HE ARG 84 HE ARG 84 -19.887 1.092 -30.196 660 HH11 ARG 84 HH11 ARG 84 -18.845 -2.328 -28.505 661 HH12 ARG 84 HH12 ARG 84 -19.708 -1.171 -27.476 662 HH21 ARG 84 HH21 ARG 84 -18.632 -0.504 -31.259 663 HH22 ARG 84 HH22 ARG 84 -18.247 -1.972 -30.358 664 H ASN 85 H ASN 85 -22.366 1.454 -23.250 665 HA ASN 85 HA ASN 85 -24.301 3.528 -22.882 666 HB2 ASN 85 HB2 ASN 85 -24.618 1.020 -22.650 667 HB3 ASN 85 HB3 ASN 85 -23.761 1.109 -21.112 668 HD21 ASN 85 HD21 ASN 85 -25.318 0.862 -19.520 669 HD22 ASN 85 HD22 ASN 85 -26.849 1.722 -19.518 670 H ASN 86 H ASN 86 -21.182 3.401 -21.584 671 HA ASN 86 HA ASN 86 -21.851 5.336 -19.405 672 HB2 ASN 86 HB2 ASN 86 -19.893 3.004 -19.429 673 HB3 ASN 86 HB3 ASN 86 -19.803 4.320 -18.260 674 HD21 ASN 86 HD21 ASN 86 -21.569 1.433 -19.140 675 HD22 ASN 86 HD22 ASN 86 -22.613 1.471 -17.713 676 H LEU 87 H LEU 87 -20.817 5.387 -22.388 677 HA LEU 87 HA LEU 87 -18.781 7.509 -21.946 678 HB2 LEU 87 HB2 LEU 87 -17.805 5.290 -22.620 679 HB3 LEU 87 HB3 LEU 87 -18.723 5.370 -24.117 680 HG LEU 87 HG LEU 87 -17.382 7.282 -24.880 681 HD11 LEU 87 HD11 LEU 87 -16.955 8.491 -22.803 682 HD12 LEU 87 HD12 LEU 87 -16.028 7.118 -22.153 683 HD13 LEU 87 HD13 LEU 87 -15.413 8.049 -23.540 684 HD21 LEU 87 HD21 LEU 87 -16.521 5.006 -25.238 685 HD22 LEU 87 HD22 LEU 87 -15.210 6.182 -25.043 686 HD23 LEU 87 HD23 LEU 87 -15.633 5.094 -23.701 687 H ILE 88 H ILE 88 -21.728 7.436 -22.400 688 HA ILE 88 HA ILE 88 -22.534 8.297 -24.960 689 HB ILE 88 HB ILE 88 -23.671 8.925 -22.205 690 HG12 ILE 88 HG12 ILE 88 -24.600 6.820 -24.215 691 HG13 ILE 88 HG13 ILE 88 -23.468 6.454 -22.921 692 HG21 ILE 88 HG21 ILE 88 -25.813 9.382 -23.413 693 HG22 ILE 88 HG22 ILE 88 -24.564 10.531 -23.848 694 HG23 ILE 88 HG23 ILE 88 -24.970 9.199 -24.962 695 HD11 ILE 88 HD11 ILE 88 -25.654 5.781 -22.225 696 HD12 ILE 88 HD12 ILE 88 -25.112 7.134 -21.218 697 HD13 ILE 88 HD13 ILE 88 -26.319 7.397 -22.504 698 H GLN 89 H GLN 89 -22.114 10.051 -26.062 699 HA GLN 89 HA GLN 89 -20.924 12.443 -24.735 700 HB2 GLN 89 HB2 GLN 89 -19.788 10.815 -26.551 701 HB3 GLN 89 HB3 GLN 89 -20.644 11.855 -27.675 702 HG2 GLN 89 HG2 GLN 89 -18.366 12.631 -27.367 703 HG3 GLN 89 HG3 GLN 89 -19.462 13.834 -26.696 704 HE21 GLN 89 HE21 GLN 89 -17.578 10.893 -25.625 705 HE22 GLN 89 HE22 GLN 89 -17.131 11.606 -24.084 706 H GLN 90 H GLN 90 -23.885 11.639 -25.825 707 HA GLN 90 HA GLN 90 -24.698 13.668 -27.622 708 HB2 GLN 90 HB2 GLN 90 -26.270 12.090 -25.543 709 HB3 GLN 90 HB3 GLN 90 -27.008 13.057 -26.811 710 HG2 GLN 90 HG2 GLN 90 -25.223 10.627 -27.257 711 HG3 GLN 90 HG3 GLN 90 -26.972 10.663 -27.389 712 HE21 GLN 90 HE21 GLN 90 -24.804 10.061 -29.462 713 HE22 GLN 90 HE22 GLN 90 -25.206 11.151 -30.782 714 H LYS 91 H LYS 91 -23.817 14.197 -24.392 715 HA LYS 91 HA LYS 91 -25.296 16.802 -24.297 716 HB2 LYS 91 HB2 LYS 91 -25.507 16.583 -21.908 717 HB3 LYS 91 HB3 LYS 91 -26.231 15.194 -22.709 718 HG2 LYS 91 HG2 LYS 91 -24.247 13.809 -22.162 719 HG3 LYS 91 HG3 LYS 91 -23.467 15.211 -21.401 720 HD2 LYS 91 HD2 LYS 91 -25.324 15.349 -19.757 721 HD3 LYS 91 HD3 LYS 91 -26.091 13.933 -20.511 722 HE2 LYS 91 HE2 LYS 91 -24.082 12.569 -19.992 723 HE3 LYS 91 HE3 LYS 91 -23.304 13.979 -19.263 724 HZ1 LYS 91 HZ1 LYS 91 -25.089 14.026 -17.603 725 HZ2 LYS 91 HZ2 LYS 91 -25.811 12.723 -18.274 726 HZ3 LYS 91 HZ3 LYS 91 -24.344 12.576 -17.576 727 H ASN 92 H ASN 92 -22.401 15.903 -25.104 728 HA ASN 92 HA ASN 92 -20.539 17.132 -23.363 729 HB2 ASN 92 HB2 ASN 92 -19.991 15.576 -25.200 730 HB3 ASN 92 HB3 ASN 92 -20.476 16.783 -26.392 731 HD21 ASN 92 HD21 ASN 92 -18.244 16.449 -27.231 732 HD22 ASN 92 HD22 ASN 92 -16.940 17.336 -26.456 Start of MODEL 9 1 H MET 1 H MET 1 -28.362 8.664 -16.922 2 HA MET 1 HA MET 1 -26.502 9.256 -15.597 3 HB2 MET 1 HB2 MET 1 -25.509 9.277 -18.480 4 HB3 MET 1 HB3 MET 1 -24.455 9.153 -17.070 5 HG2 MET 1 HG2 MET 1 -26.626 7.155 -17.784 6 HG3 MET 1 HG3 MET 1 -24.905 6.973 -18.113 7 HE1 MET 1 HE1 MET 1 -25.544 4.281 -15.349 8 HE2 MET 1 HE2 MET 1 -26.656 4.780 -16.642 9 HE3 MET 1 HE3 MET 1 -24.920 4.597 -16.983 10 H ALA 2 H ALA 2 -27.815 11.767 -17.282 11 HA ALA 2 HA ALA 2 -25.888 13.789 -17.443 12 HB1 ALA 2 HB1 ALA 2 -28.135 13.843 -18.453 13 HB2 ALA 2 HB2 ALA 2 -28.867 14.019 -16.839 14 HB3 ALA 2 HB3 ALA 2 -27.829 15.303 -17.497 15 H VAL 3 H VAL 3 -26.935 12.438 -14.513 16 HA VAL 3 HA VAL 3 -25.808 14.703 -12.930 17 HB VAL 3 HB VAL 3 -28.318 14.550 -12.905 18 HG11 VAL 3 HG11 VAL 3 -28.575 12.094 -12.845 19 HG12 VAL 3 HG12 VAL 3 -27.890 12.063 -11.205 20 HG13 VAL 3 HG13 VAL 3 -29.424 12.895 -11.516 21 HG21 VAL 3 HG21 VAL 3 -27.042 15.731 -11.147 22 HG22 VAL 3 HG22 VAL 3 -28.591 15.073 -10.600 23 HG23 VAL 3 HG23 VAL 3 -27.087 14.257 -10.152 24 H SER 4 H SER 4 -25.007 11.801 -13.961 25 HA SER 4 HA SER 4 -23.621 10.984 -11.429 26 HB2 SER 4 HB2 SER 4 -24.923 9.104 -13.428 27 HB3 SER 4 HB3 SER 4 -24.016 8.639 -11.978 28 HG SER 4 HG SER 4 -26.278 8.613 -11.612 29 H VAL 5 H VAL 5 -23.360 11.434 -14.904 30 HA VAL 5 HA VAL 5 -21.025 9.839 -15.346 31 HB VAL 5 HB VAL 5 -22.577 10.633 -17.094 32 HG11 VAL 5 HG11 VAL 5 -22.429 12.836 -18.073 33 HG12 VAL 5 HG12 VAL 5 -22.859 13.008 -16.367 34 HG13 VAL 5 HG13 VAL 5 -21.198 13.341 -16.901 35 HG21 VAL 5 HG21 VAL 5 -20.946 10.990 -18.826 36 HG22 VAL 5 HG22 VAL 5 -19.708 11.462 -17.654 37 HG23 VAL 5 HG23 VAL 5 -20.330 9.793 -17.679 38 H THR 6 H THR 6 -18.846 10.344 -15.451 39 HA THR 6 HA THR 6 -17.858 12.981 -14.547 40 HB THR 6 HB THR 6 -16.239 11.866 -13.000 41 HG1 THR 6 HG1 THR 6 -16.843 9.782 -12.248 42 HG21 THR 6 HG21 THR 6 -19.120 11.366 -12.166 43 HG22 THR 6 HG22 THR 6 -17.713 11.611 -11.111 44 HG23 THR 6 HG23 THR 6 -18.305 12.946 -12.114 45 HA PRO 7 HA PRO 7 -14.918 12.059 -17.708 46 HB2 PRO 7 HB2 PRO 7 -12.944 13.874 -17.290 47 HB3 PRO 7 HB3 PRO 7 -14.619 14.374 -17.673 48 HG2 PRO 7 HG2 PRO 7 -13.334 14.158 -14.927 49 HG3 PRO 7 HG3 PRO 7 -14.228 15.550 -15.619 50 HD2 PRO 7 HD2 PRO 7 -15.427 13.698 -14.000 51 HD3 PRO 7 HD3 PRO 7 -16.299 14.476 -15.354 52 H ILE 8 H ILE 8 -14.023 11.387 -14.475 53 HA ILE 8 HA ILE 8 -11.300 10.482 -14.946 54 HB ILE 8 HB ILE 8 -11.351 9.823 -12.603 55 HG12 ILE 8 HG12 ILE 8 -14.289 10.647 -12.550 56 HG13 ILE 8 HG13 ILE 8 -13.721 8.977 -12.528 57 HG21 ILE 8 HG21 ILE 8 -12.670 12.546 -12.972 58 HG22 ILE 8 HG22 ILE 8 -11.565 12.043 -11.676 59 HG23 ILE 8 HG23 ILE 8 -10.969 12.194 -13.332 60 HD11 ILE 8 HD11 ILE 8 -13.214 11.071 -10.379 61 HD12 ILE 8 HD12 ILE 8 -14.254 9.643 -10.278 62 HD13 ILE 8 HD13 ILE 8 -12.495 9.441 -10.398 63 H ARG 9 H ARG 9 -10.715 8.257 -13.922 64 HA ARG 9 HA ARG 9 -11.456 6.173 -15.678 65 HB2 ARG 9 HB2 ARG 9 -10.179 4.713 -14.298 66 HB3 ARG 9 HB3 ARG 9 -9.351 6.255 -14.506 67 HG2 ARG 9 HG2 ARG 9 -10.098 6.951 -12.214 68 HG3 ARG 9 HG3 ARG 9 -10.894 5.369 -12.015 69 HD2 ARG 9 HD2 ARG 9 -8.744 4.238 -12.413 70 HD3 ARG 9 HD3 ARG 9 -7.951 5.812 -12.622 71 HE ARG 9 HE ARG 9 -9.286 5.752 -10.084 72 HH11 ARG 9 HH11 ARG 9 -5.606 4.200 -10.036 73 HH12 ARG 9 HH12 ARG 9 -6.433 4.356 -11.563 74 HH21 ARG 9 HH21 ARG 9 -6.575 4.846 -8.170 75 HH22 ARG 9 HH22 ARG 9 -8.176 5.526 -8.173 76 H ASP 10 H ASP 10 -12.495 4.142 -15.310 77 HA ASP 10 HA ASP 10 -14.616 4.045 -13.222 78 HB2 ASP 10 HB2 ASP 10 -15.465 5.235 -15.276 79 HB3 ASP 10 HB3 ASP 10 -15.114 3.793 -16.220 80 H THR 11 H THR 11 -15.278 2.030 -12.667 81 HA THR 11 HA THR 11 -14.414 -0.346 -14.221 82 HB THR 11 HB THR 11 -13.993 -1.579 -12.085 83 HG1 THR 11 HG1 THR 11 -13.456 -0.285 -10.283 84 HG21 THR 11 HG21 THR 11 -11.704 -0.815 -11.785 85 HG22 THR 11 HG22 THR 11 -12.132 -0.848 -13.500 86 HG23 THR 11 HG23 THR 11 -12.065 0.707 -12.635 87 H LYS 12 H LYS 12 -17.042 1.293 -12.840 88 HA LYS 12 HA LYS 12 -18.569 -1.023 -11.985 89 HB2 LYS 12 HB2 LYS 12 -20.522 0.355 -12.020 90 HB3 LYS 12 HB3 LYS 12 -19.200 1.046 -11.082 91 HG2 LYS 12 HG2 LYS 12 -18.694 2.636 -12.843 92 HG3 LYS 12 HG3 LYS 12 -19.920 1.905 -13.912 93 HD2 LYS 12 HD2 LYS 12 -21.659 2.450 -12.178 94 HD3 LYS 12 HD3 LYS 12 -20.429 3.315 -11.240 95 HE2 LYS 12 HE2 LYS 12 -21.096 3.876 -14.147 96 HE3 LYS 12 HE3 LYS 12 -21.911 4.697 -12.800 97 HZ1 LYS 12 HZ1 LYS 12 -19.008 4.850 -13.451 98 HZ2 LYS 12 HZ2 LYS 12 -20.092 6.063 -13.569 99 HZ3 LYS 12 HZ3 LYS 12 -19.677 5.501 -12.095 100 H TRP 13 H TRP 13 -18.001 0.452 -15.150 101 HA TRP 13 HA TRP 13 -19.968 -1.138 -16.578 102 HB2 TRP 13 HB2 TRP 13 -19.350 0.067 -18.270 103 HB3 TRP 13 HB3 TRP 13 -18.245 0.941 -17.242 104 HD1 TRP 13 HD1 TRP 13 -18.273 -2.170 -19.530 105 HE1 TRP 13 HE1 TRP 13 -16.090 -2.300 -20.848 106 HE3 TRP 13 HE3 TRP 13 -15.824 1.791 -17.401 107 HZ2 TRP 13 HZ2 TRP 13 -13.572 -0.897 -20.945 108 HZ3 TRP 13 HZ3 TRP 13 -13.517 2.358 -18.123 109 HH2 TRP 13 HH2 TRP 13 -12.376 1.020 -19.876 110 H LEU 14 H LEU 14 -16.755 -1.759 -15.386 111 HA LEU 14 HA LEU 14 -16.426 -4.305 -16.797 112 HB2 LEU 14 HB2 LEU 14 -14.722 -2.696 -14.839 113 HB3 LEU 14 HB3 LEU 14 -14.191 -4.212 -15.497 114 HG LEU 14 HG LEU 14 -14.904 -1.772 -17.177 115 HD11 LEU 14 HD11 LEU 14 -12.483 -1.490 -17.462 116 HD12 LEU 14 HD12 LEU 14 -12.949 -1.331 -15.767 117 HD13 LEU 14 HD13 LEU 14 -12.184 -2.833 -16.329 118 HD21 LEU 14 HD21 LEU 14 -15.054 -3.888 -18.468 119 HD22 LEU 14 HD22 LEU 14 -13.676 -2.919 -18.983 120 HD23 LEU 14 HD23 LEU 14 -13.406 -4.321 -17.941 121 H THR 15 H THR 15 -17.935 -3.418 -13.876 122 HA THR 15 HA THR 15 -17.082 -5.745 -12.330 123 HB THR 15 HB THR 15 -19.326 -3.875 -11.626 124 HG1 THR 15 HG1 THR 15 -17.115 -2.921 -11.964 125 HG21 THR 15 HG21 THR 15 -17.563 -5.739 -9.986 126 HG22 THR 15 HG22 THR 15 -18.636 -4.503 -9.297 127 HG23 THR 15 HG23 THR 15 -19.321 -5.833 -10.234 128 H LEU 16 H LEU 16 -17.562 -7.331 -13.767 129 HA LEU 16 HA LEU 16 -20.166 -8.010 -14.821 130 HB2 LEU 16 HB2 LEU 16 -17.469 -8.537 -15.350 131 HB3 LEU 16 HB3 LEU 16 -17.985 -10.059 -14.663 132 HG LEU 16 HG LEU 16 -19.251 -8.651 -17.051 133 HD11 LEU 16 HD11 LEU 16 -16.904 -9.490 -17.369 134 HD12 LEU 16 HD12 LEU 16 -17.468 -11.117 -16.957 135 HD13 LEU 16 HD13 LEU 16 -18.097 -10.283 -18.397 136 HD21 LEU 16 HD21 LEU 16 -20.928 -10.087 -16.039 137 HD22 LEU 16 HD22 LEU 16 -20.321 -10.863 -17.496 138 HD23 LEU 16 HD23 LEU 16 -19.761 -11.426 -15.904 139 H GLU 17 H GLU 17 -21.546 -9.746 -14.165 140 HA GLU 17 HA GLU 17 -21.498 -10.508 -11.354 141 HB2 GLU 17 HB2 GLU 17 -23.170 -11.518 -13.683 142 HB3 GLU 17 HB3 GLU 17 -23.417 -11.927 -11.979 143 HG2 GLU 17 HG2 GLU 17 -23.823 -9.542 -11.464 144 HG3 GLU 17 HG3 GLU 17 -23.580 -9.133 -13.170 145 H VAL 18 H VAL 18 -21.254 -12.564 -10.440 146 HA VAL 18 HA VAL 18 -19.453 -14.422 -11.885 147 HB VAL 18 HB VAL 18 -19.182 -15.604 -9.832 148 HG11 VAL 18 HG11 VAL 18 -18.148 -13.930 -8.450 149 HG12 VAL 18 HG12 VAL 18 -17.911 -13.505 -10.154 150 HG13 VAL 18 HG13 VAL 18 -19.122 -12.636 -9.175 151 HG21 VAL 18 HG21 VAL 18 -21.391 -13.873 -8.669 152 HG22 VAL 18 HG22 VAL 18 -21.380 -15.626 -8.847 153 HG23 VAL 18 HG23 VAL 18 -20.272 -14.848 -7.702 154 H CYS 19 H CYS 19 -19.890 -16.743 -12.040 155 HA CYS 19 HA CYS 19 -22.649 -17.270 -12.795 156 HB2 CYS 19 HB2 CYS 19 -20.703 -18.149 -14.056 157 HB3 CYS 19 HB3 CYS 19 -20.269 -19.134 -12.666 158 H ARG 20 H ARG 20 -24.181 -18.251 -11.621 159 HA ARG 20 HA ARG 20 -23.916 -18.596 -8.763 160 HB2 ARG 20 HB2 ARG 20 -26.155 -19.485 -10.630 161 HB3 ARG 20 HB3 ARG 20 -26.214 -19.481 -8.872 162 HG2 ARG 20 HG2 ARG 20 -27.400 -17.573 -9.577 163 HG3 ARG 20 HG3 ARG 20 -25.890 -16.992 -8.869 164 HD2 ARG 20 HD2 ARG 20 -24.991 -16.424 -11.011 165 HD3 ARG 20 HD3 ARG 20 -26.214 -17.381 -11.869 166 HE ARG 20 HE ARG 20 -27.898 -15.711 -10.978 167 HH11 ARG 20 HH11 ARG 20 -27.138 -12.458 -11.799 168 HH12 ARG 20 HH12 ARG 20 -28.441 -13.581 -11.405 169 HH21 ARG 20 HH21 ARG 20 -25.221 -12.952 -11.897 170 HH22 ARG 20 HH22 ARG 20 -24.558 -14.561 -11.579 171 H GLU 21 H GLU 21 -23.648 -20.890 -11.417 172 HA GLU 21 HA GLU 21 -23.868 -23.252 -9.692 173 HB2 GLU 21 HB2 GLU 21 -22.839 -22.888 -12.516 174 HB3 GLU 21 HB3 GLU 21 -23.163 -24.437 -11.736 175 HG2 GLU 21 HG2 GLU 21 -25.316 -22.342 -12.290 176 HG3 GLU 21 HG3 GLU 21 -24.911 -23.655 -13.380 177 H PHE 22 H PHE 22 -21.285 -21.303 -11.212 178 HA PHE 22 HA PHE 22 -19.041 -22.847 -10.340 179 HB2 PHE 22 HB2 PHE 22 -19.099 -21.119 -12.125 180 HB3 PHE 22 HB3 PHE 22 -19.297 -19.876 -10.905 181 HD1 PHE 22 HD1 PHE 22 -17.423 -19.075 -9.598 182 HD2 PHE 22 HD2 PHE 22 -16.964 -22.336 -12.382 183 HE1 PHE 22 HE1 PHE 22 -14.960 -18.882 -9.415 184 HE2 PHE 22 HE2 PHE 22 -14.490 -22.179 -12.152 185 HZ PHE 22 HZ PHE 22 -13.485 -20.450 -10.670 186 H GLN 23 H GLN 23 -20.950 -20.292 -8.781 187 HA GLN 23 HA GLN 23 -19.281 -19.870 -6.479 188 HB2 GLN 23 HB2 GLN 23 -22.250 -19.489 -7.018 189 HB3 GLN 23 HB3 GLN 23 -21.571 -19.142 -5.436 190 HG2 GLN 23 HG2 GLN 23 -20.534 -17.834 -7.975 191 HG3 GLN 23 HG3 GLN 23 -21.825 -17.166 -6.977 192 HE21 GLN 23 HE21 GLN 23 -21.260 -16.416 -4.771 193 HE22 GLN 23 HE22 GLN 23 -19.576 -16.087 -4.390 194 H ARG 24 H ARG 24 -21.142 -22.578 -7.328 195 HA ARG 24 HA ARG 24 -20.991 -23.764 -4.582 196 HB2 ARG 24 HB2 ARG 24 -23.123 -23.808 -6.735 197 HB3 ARG 24 HB3 ARG 24 -23.038 -25.131 -5.572 198 HG2 ARG 24 HG2 ARG 24 -23.664 -23.859 -3.779 199 HG3 ARG 24 HG3 ARG 24 -22.984 -22.365 -4.417 200 HD2 ARG 24 HD2 ARG 24 -25.461 -22.354 -4.281 201 HD3 ARG 24 HD3 ARG 24 -24.804 -21.982 -5.866 202 HE ARG 24 HE ARG 24 -26.087 -24.584 -5.062 203 HH11 ARG 24 HH11 ARG 24 -27.069 -25.106 -8.340 204 HH12 ARG 24 HH12 ARG 24 -27.144 -25.729 -6.707 205 HH21 ARG 24 HH21 ARG 24 -26.055 -23.368 -8.857 206 HH22 ARG 24 HH22 ARG 24 -25.180 -22.390 -7.683 207 H GLY 25 H GLY 25 -19.224 -23.776 -7.182 208 HA2 GLY 25 HA2 GLY 25 -17.796 -25.223 -8.228 209 HA3 GLY 25 HA3 GLY 25 -17.978 -26.274 -6.817 210 H THR 26 H THR 26 -20.592 -25.384 -9.075 211 HA THR 26 HA THR 26 -20.670 -28.184 -10.106 212 HB THR 26 HB THR 26 -22.153 -27.887 -8.179 213 HG1 THR 26 HG1 THR 26 -23.358 -28.396 -10.671 214 HG21 THR 26 HG21 THR 26 -23.728 -25.967 -9.932 215 HG22 THR 26 HG22 THR 26 -24.308 -26.716 -8.431 216 HG23 THR 26 HG23 THR 26 -22.938 -25.611 -8.377 217 H CYS 27 H CYS 27 -19.971 -25.355 -11.334 218 HA CYS 27 HA CYS 27 -21.843 -25.170 -13.545 219 HB2 CYS 27 HB2 CYS 27 -20.360 -23.297 -12.652 220 HB3 CYS 27 HB3 CYS 27 -19.017 -24.050 -13.512 221 H SER 28 H SER 28 -20.852 -25.346 -15.842 222 HA SER 28 HA SER 28 -19.290 -27.888 -16.220 223 HB2 SER 28 HB2 SER 28 -21.942 -27.262 -17.564 224 HB3 SER 28 HB3 SER 28 -20.921 -28.675 -17.885 225 HG SER 28 HG SER 28 -22.623 -29.149 -16.425 226 H ARG 29 H ARG 29 -19.015 -24.774 -16.867 227 HA ARG 29 HA ARG 29 -17.973 -25.123 -19.666 228 HB2 ARG 29 HB2 ARG 29 -19.448 -22.763 -18.446 229 HB3 ARG 29 HB3 ARG 29 -18.798 -22.855 -20.072 230 HG2 ARG 29 HG2 ARG 29 -20.431 -24.688 -20.607 231 HG3 ARG 29 HG3 ARG 29 -21.080 -24.534 -18.957 232 HD2 ARG 29 HD2 ARG 29 -21.332 -22.020 -19.519 233 HD3 ARG 29 HD3 ARG 29 -21.174 -22.509 -21.207 234 HE ARG 29 HE ARG 29 -23.247 -23.718 -21.014 235 HH11 ARG 29 HH11 ARG 29 -25.649 -23.305 -18.590 236 HH12 ARG 29 HH12 ARG 29 -25.267 -23.985 -20.144 237 HH21 ARG 29 HH21 ARG 29 -24.160 -22.226 -17.417 238 HH22 ARG 29 HH22 ARG 29 -22.576 -21.883 -18.019 239 HA PRO 30 HA PRO 30 -14.400 -22.913 -17.904 240 HB2 PRO 30 HB2 PRO 30 -13.145 -22.097 -20.188 241 HB3 PRO 30 HB3 PRO 30 -13.161 -23.812 -19.673 242 HG2 PRO 30 HG2 PRO 30 -14.997 -22.454 -21.672 243 HG3 PRO 30 HG3 PRO 30 -14.080 -23.980 -21.881 244 HD2 PRO 30 HD2 PRO 30 -16.702 -23.992 -21.136 245 HD3 PRO 30 HD3 PRO 30 -15.546 -25.162 -20.458 246 H ASP 31 H ASP 31 -13.598 -20.605 -17.941 247 HA ASP 31 HA ASP 31 -15.648 -18.664 -17.739 248 HB2 ASP 31 HB2 ASP 31 -13.358 -18.579 -16.717 249 HB3 ASP 31 HB3 ASP 31 -12.689 -18.245 -18.306 250 H THR 32 H THR 32 -13.788 -19.650 -20.554 251 HA THR 32 HA THR 32 -14.455 -17.463 -22.307 252 HB THR 32 HB THR 32 -13.564 -19.012 -24.076 253 HG1 THR 32 HG1 THR 32 -12.577 -20.895 -23.318 254 HG21 THR 32 HG21 THR 32 -11.254 -18.910 -23.300 255 HG22 THR 32 HG22 THR 32 -12.100 -17.418 -22.864 256 HG23 THR 32 HG23 THR 32 -11.786 -18.653 -21.625 257 H GLU 33 H GLU 33 -16.441 -19.990 -21.219 258 HA GLU 33 HA GLU 33 -18.176 -19.869 -23.685 259 HB2 GLU 33 HB2 GLU 33 -17.407 -22.087 -21.790 260 HB3 GLU 33 HB3 GLU 33 -18.870 -22.235 -22.721 261 HG2 GLU 33 HG2 GLU 33 -16.106 -21.818 -23.941 262 HG3 GLU 33 HG3 GLU 33 -16.882 -23.379 -23.701 263 H CYS 34 H CYS 34 -18.205 -19.619 -20.130 264 HA CYS 34 HA CYS 34 -21.034 -20.079 -19.971 265 HB2 CYS 34 HB2 CYS 34 -19.121 -20.408 -18.209 266 HB3 CYS 34 HB3 CYS 34 -19.489 -18.745 -17.755 267 H LYS 35 H LYS 35 -22.408 -18.614 -18.676 268 HA LYS 35 HA LYS 35 -22.934 -16.152 -20.267 269 HB2 LYS 35 HB2 LYS 35 -24.495 -17.670 -18.116 270 HB3 LYS 35 HB3 LYS 35 -25.092 -16.198 -18.853 271 HG2 LYS 35 HG2 LYS 35 -24.461 -18.761 -20.383 272 HG3 LYS 35 HG3 LYS 35 -26.053 -18.310 -19.805 273 HD2 LYS 35 HD2 LYS 35 -24.405 -16.767 -21.853 274 HD3 LYS 35 HD3 LYS 35 -25.760 -17.824 -22.214 275 HE2 LYS 35 HE2 LYS 35 -25.921 -15.248 -20.576 276 HE3 LYS 35 HE3 LYS 35 -26.312 -15.393 -22.288 277 HZ1 LYS 35 HZ1 LYS 35 -28.079 -16.967 -21.698 278 HZ2 LYS 35 HZ2 LYS 35 -27.746 -16.810 -20.104 279 HZ3 LYS 35 HZ3 LYS 35 -28.312 -15.538 -20.951 280 H PHE 36 H PHE 36 -21.427 -16.875 -17.347 281 HA PHE 36 HA PHE 36 -21.325 -14.023 -16.531 282 HB2 PHE 36 HB2 PHE 36 -21.876 -16.328 -14.659 283 HB3 PHE 36 HB3 PHE 36 -21.679 -14.645 -14.191 284 HD1 PHE 36 HD1 PHE 36 -24.075 -17.137 -14.704 285 HD2 PHE 36 HD2 PHE 36 -23.361 -12.952 -15.446 286 HE1 PHE 36 HE1 PHE 36 -26.526 -16.728 -14.760 287 HE2 PHE 36 HE2 PHE 36 -25.814 -12.541 -15.488 288 HZ PHE 36 HZ PHE 36 -27.398 -14.429 -15.145 289 H ALA 37 H ALA 37 -19.553 -13.898 -14.658 290 HA ALA 37 HA ALA 37 -17.133 -15.008 -15.888 291 HB1 ALA 37 HB1 ALA 37 -16.021 -13.492 -14.302 292 HB2 ALA 37 HB2 ALA 37 -17.291 -12.660 -15.218 293 HB3 ALA 37 HB3 ALA 37 -17.593 -13.147 -13.536 294 H HIS 38 H HIS 38 -15.523 -16.193 -14.904 295 HA HIS 38 HA HIS 38 -16.188 -17.749 -12.434 296 HB2 HIS 38 HB2 HIS 38 -14.761 -18.625 -14.965 297 HB3 HIS 38 HB3 HIS 38 -14.852 -19.575 -13.497 298 HD1 HIS 38 HD1 HIS 38 -16.037 -20.777 -16.153 299 HD2 HIS 38 HD2 HIS 38 -18.181 -18.641 -13.242 300 HE1 HIS 38 HE1 HIS 38 -18.480 -21.468 -16.397 301 HA PRO 39 HA PRO 39 -12.358 -15.282 -11.564 302 HB2 PRO 39 HB2 PRO 39 -12.648 -15.209 -8.801 303 HB3 PRO 39 HB3 PRO 39 -13.400 -14.061 -9.938 304 HG2 PRO 39 HG2 PRO 39 -14.595 -16.547 -8.694 305 HG3 PRO 39 HG3 PRO 39 -15.329 -14.921 -8.812 306 HD2 PRO 39 HD2 PRO 39 -15.973 -16.870 -10.558 307 HD3 PRO 39 HD3 PRO 39 -15.762 -15.193 -11.137 308 H SER 40 H SER 40 -10.334 -15.783 -10.735 309 HA SER 40 HA SER 40 -9.751 -18.619 -10.144 310 HB2 SER 40 HB2 SER 40 -7.474 -18.032 -10.544 311 HB3 SER 40 HB3 SER 40 -8.419 -17.187 -11.791 312 HG SER 40 HG SER 40 -6.988 -15.725 -10.904 313 H LYS 41 H LYS 41 -7.674 -18.653 -8.599 314 HA LYS 41 HA LYS 41 -8.458 -18.163 -5.873 315 HB2 LYS 41 HB2 LYS 41 -5.829 -18.868 -7.246 316 HB3 LYS 41 HB3 LYS 41 -6.000 -18.763 -5.482 317 HG2 LYS 41 HG2 LYS 41 -7.763 -20.509 -5.536 318 HG3 LYS 41 HG3 LYS 41 -7.565 -20.655 -7.292 319 HD2 LYS 41 HD2 LYS 41 -5.198 -21.350 -6.975 320 HD3 LYS 41 HD3 LYS 41 -5.368 -21.129 -5.230 321 HE2 LYS 41 HE2 LYS 41 -5.538 -23.467 -5.647 322 HE3 LYS 41 HE3 LYS 41 -7.140 -22.890 -5.184 323 HZ1 LYS 41 HZ1 LYS 41 -7.754 -22.916 -7.547 324 HZ2 LYS 41 HZ2 LYS 41 -6.253 -23.409 -7.978 325 HZ3 LYS 41 HZ3 LYS 41 -7.219 -24.389 -7.105 326 H SER 42 H SER 42 -6.993 -16.038 -8.205 327 HA SER 42 HA SER 42 -6.076 -14.158 -6.057 328 HB2 SER 42 HB2 SER 42 -5.297 -14.204 -8.988 329 HB3 SER 42 HB3 SER 42 -4.647 -13.127 -7.734 330 HG SER 42 HG SER 42 -3.297 -14.962 -8.114 331 H CYS 43 H CYS 43 -8.462 -14.435 -8.653 332 HA CYS 43 HA CYS 43 -8.903 -11.670 -9.082 333 HB2 CYS 43 HB2 CYS 43 -10.765 -14.047 -9.382 334 HB3 CYS 43 HB3 CYS 43 -11.124 -12.409 -9.959 335 HG CYS 43 HG CYS 43 -10.355 -13.786 -12.041 336 H GLN 44 H GLN 44 -10.159 -10.139 -8.194 337 HA GLN 44 HA GLN 44 -11.082 -10.474 -5.428 338 HB2 GLN 44 HB2 GLN 44 -10.979 -8.160 -7.400 339 HB3 GLN 44 HB3 GLN 44 -11.666 -7.993 -5.775 340 HG2 GLN 44 HG2 GLN 44 -9.628 -8.508 -4.694 341 HG3 GLN 44 HG3 GLN 44 -8.878 -9.119 -6.165 342 HE21 GLN 44 HE21 GLN 44 -9.233 -7.125 -8.051 343 HE22 GLN 44 HE22 GLN 44 -8.477 -5.648 -7.473 344 H VAL 45 H VAL 45 -13.118 -10.601 -4.682 345 HA VAL 45 HA VAL 45 -15.395 -10.479 -6.601 346 HB VAL 45 HB VAL 45 -15.207 -12.461 -4.304 347 HG11 VAL 45 HG11 VAL 45 -17.004 -12.364 -6.761 348 HG12 VAL 45 HG12 VAL 45 -17.012 -13.637 -5.524 349 HG13 VAL 45 HG13 VAL 45 -17.491 -11.995 -5.095 350 HG21 VAL 45 HG21 VAL 45 -13.420 -13.130 -5.833 351 HG22 VAL 45 HG22 VAL 45 -14.760 -14.270 -5.891 352 HG23 VAL 45 HG23 VAL 45 -14.552 -13.096 -7.198 353 H GLU 46 H GLU 46 -17.199 -9.423 -5.881 354 HA GLU 46 HA GLU 46 -17.615 -8.835 -3.001 355 HB2 GLU 46 HB2 GLU 46 -17.365 -6.671 -5.138 356 HB3 GLU 46 HB3 GLU 46 -18.080 -6.437 -3.541 357 HG2 GLU 46 HG2 GLU 46 -15.887 -7.145 -2.513 358 HG3 GLU 46 HG3 GLU 46 -15.181 -7.139 -4.136 359 H ASN 47 H ASN 47 -19.690 -8.949 -2.480 360 HA ASN 47 HA ASN 47 -21.870 -9.543 -2.644 361 HB2 ASN 47 HB2 ASN 47 -21.568 -7.012 -2.479 362 HB3 ASN 47 HB3 ASN 47 -21.965 -6.948 -4.201 363 HD21 ASN 47 HD21 ASN 47 -23.883 -5.702 -3.817 364 HD22 ASN 47 HD22 ASN 47 -25.287 -6.425 -3.047 365 H GLY 48 H GLY 48 -20.701 -11.049 -4.708 366 HA2 GLY 48 HA2 GLY 48 -21.730 -12.545 -6.216 367 HA3 GLY 48 HA3 GLY 48 -23.077 -11.427 -6.432 368 H ARG 49 H ARG 49 -20.045 -9.870 -6.817 369 HA ARG 49 HA ARG 49 -19.916 -10.332 -9.755 370 HB2 ARG 49 HB2 ARG 49 -19.846 -7.561 -8.481 371 HB3 ARG 49 HB3 ARG 49 -19.765 -7.985 -10.191 372 HG2 ARG 49 HG2 ARG 49 -22.100 -9.032 -9.885 373 HG3 ARG 49 HG3 ARG 49 -22.173 -8.165 -8.351 374 HD2 ARG 49 HD2 ARG 49 -21.592 -6.867 -11.046 375 HD3 ARG 49 HD3 ARG 49 -23.221 -7.035 -10.384 376 HE ARG 49 HE ARG 49 -22.041 -5.749 -8.345 377 HH11 ARG 49 HH11 ARG 49 -21.899 -3.283 -11.489 378 HH12 ARG 49 HH12 ARG 49 -21.735 -4.997 -11.761 379 HH21 ARG 49 HH21 ARG 49 -21.981 -2.485 -9.439 380 HH22 ARG 49 HH22 ARG 49 -22.070 -3.540 -8.063 381 H VAL 50 H VAL 50 -18.059 -9.436 -10.727 382 HA VAL 50 HA VAL 50 -15.538 -9.312 -9.126 383 HB VAL 50 HB VAL 50 -14.495 -10.688 -10.962 384 HG11 VAL 50 HG11 VAL 50 -15.319 -12.903 -10.049 385 HG12 VAL 50 HG12 VAL 50 -14.690 -11.734 -8.888 386 HG13 VAL 50 HG13 VAL 50 -16.441 -11.972 -9.044 387 HG21 VAL 50 HG21 VAL 50 -16.303 -10.649 -12.659 388 HG22 VAL 50 HG22 VAL 50 -15.840 -12.294 -12.201 389 HG23 VAL 50 HG23 VAL 50 -17.339 -11.601 -11.574 390 H ILE 51 H ILE 51 -13.852 -8.097 -10.235 391 HA ILE 51 HA ILE 51 -14.983 -6.250 -12.300 392 HB ILE 51 HB ILE 51 -12.566 -5.869 -10.515 393 HG12 ILE 51 HG12 ILE 51 -15.441 -4.941 -10.345 394 HG13 ILE 51 HG13 ILE 51 -14.544 -5.905 -9.173 395 HG21 ILE 51 HG21 ILE 51 -12.640 -3.540 -11.350 396 HG22 ILE 51 HG22 ILE 51 -12.433 -4.633 -12.699 397 HG23 ILE 51 HG23 ILE 51 -14.037 -3.936 -12.381 398 HD11 ILE 51 HD11 ILE 51 -14.842 -3.715 -8.291 399 HD12 ILE 51 HD12 ILE 51 -13.116 -3.913 -8.681 400 HD13 ILE 51 HD13 ILE 51 -14.184 -2.949 -9.740 401 H ALA 52 H ALA 52 -14.296 -6.230 -14.332 402 HA ALA 52 HA ALA 52 -12.371 -8.210 -15.230 403 HB1 ALA 52 HB1 ALA 52 -13.010 -7.390 -17.481 404 HB2 ALA 52 HB2 ALA 52 -14.407 -7.847 -16.491 405 HB3 ALA 52 HB3 ALA 52 -14.013 -6.136 -16.725 406 H CYS 53 H CYS 53 -10.477 -7.847 -16.405 407 HA CYS 53 HA CYS 53 -8.790 -5.834 -15.287 408 HB2 CYS 53 HB2 CYS 53 -8.146 -8.190 -15.790 409 HB3 CYS 53 HB3 CYS 53 -8.195 -7.815 -17.512 410 H PHE 54 H PHE 54 -9.195 -3.808 -15.828 411 HA PHE 54 HA PHE 54 -9.760 -2.762 -18.445 412 HB2 PHE 54 HB2 PHE 54 -8.961 -0.588 -17.444 413 HB3 PHE 54 HB3 PHE 54 -10.271 -1.369 -16.590 414 HD1 PHE 54 HD1 PHE 54 -6.670 -0.518 -16.443 415 HD2 PHE 54 HD2 PHE 54 -10.011 -2.248 -14.334 416 HE1 PHE 54 HE1 PHE 54 -5.340 -0.530 -14.355 417 HE2 PHE 54 HE2 PHE 54 -8.699 -2.218 -12.232 418 HZ PHE 54 HZ PHE 54 -6.358 -1.362 -12.232 419 H ASP 55 H ASP 55 -6.704 -3.467 -16.748 420 HA ASP 55 HA ASP 55 -4.936 -2.202 -18.613 421 HB2 ASP 55 HB2 ASP 55 -4.468 -4.598 -16.796 422 HB3 ASP 55 HB3 ASP 55 -3.227 -3.754 -17.708 423 H SER 56 H SER 56 -6.405 -5.506 -18.606 424 HA SER 56 HA SER 56 -4.902 -6.458 -20.843 425 HB2 SER 56 HB2 SER 56 -6.365 -8.280 -20.937 426 HB3 SER 56 HB3 SER 56 -6.247 -7.858 -19.227 427 HG SER 56 HG SER 56 -8.271 -6.756 -19.461 428 H LEU 57 H LEU 57 -8.026 -4.742 -20.698 429 HA LEU 57 HA LEU 57 -8.551 -4.816 -23.542 430 HB2 LEU 57 HB2 LEU 57 -9.595 -3.199 -21.193 431 HB3 LEU 57 HB3 LEU 57 -10.116 -2.832 -22.833 432 HG LEU 57 HG LEU 57 -10.422 -5.599 -21.601 433 HD11 LEU 57 HD11 LEU 57 -12.422 -3.301 -21.764 434 HD12 LEU 57 HD12 LEU 57 -12.792 -4.956 -21.232 435 HD13 LEU 57 HD13 LEU 57 -11.686 -3.950 -20.281 436 HD21 LEU 57 HD21 LEU 57 -12.130 -5.881 -23.373 437 HD22 LEU 57 HD22 LEU 57 -11.730 -4.270 -24.013 438 HD23 LEU 57 HD23 LEU 57 -10.532 -5.580 -24.064 439 H LYS 58 H LYS 58 -6.981 -2.409 -21.419 440 HA LYS 58 HA LYS 58 -6.537 -0.493 -23.582 441 HB2 LYS 58 HB2 LYS 58 -5.449 -0.707 -20.739 442 HB3 LYS 58 HB3 LYS 58 -5.094 0.639 -21.806 443 HG2 LYS 58 HG2 LYS 58 -7.868 -0.152 -20.826 444 HG3 LYS 58 HG3 LYS 58 -6.886 1.163 -20.200 445 HD2 LYS 58 HD2 LYS 58 -8.128 0.981 -22.978 446 HD3 LYS 58 HD3 LYS 58 -8.655 1.999 -21.638 447 HE2 LYS 58 HE2 LYS 58 -6.467 3.201 -21.691 448 HE3 LYS 58 HE3 LYS 58 -5.962 2.210 -23.066 449 HZ1 LYS 58 HZ1 LYS 58 -6.860 4.337 -23.802 450 HZ2 LYS 58 HZ2 LYS 58 -7.827 3.137 -24.336 451 HZ3 LYS 58 HZ3 LYS 58 -8.289 4.059 -23.066 452 H GLY 59 H GLY 59 -4.923 -3.363 -22.776 453 HA2 GLY 59 HA2 GLY 59 -3.103 -4.357 -23.823 454 HA3 GLY 59 HA3 GLY 59 -2.810 -2.879 -24.746 455 H ARG 60 H ARG 60 -3.004 -3.158 -21.225 456 HA ARG 60 HA ARG 60 -0.136 -2.324 -20.918 457 HB2 ARG 60 HB2 ARG 60 -1.942 -0.632 -20.447 458 HB3 ARG 60 HB3 ARG 60 -2.526 -1.658 -19.133 459 HG2 ARG 60 HG2 ARG 60 -0.485 -1.335 -17.873 460 HG3 ARG 60 HG3 ARG 60 0.332 -0.606 -19.270 461 HD2 ARG 60 HD2 ARG 60 -0.287 1.135 -17.710 462 HD3 ARG 60 HD3 ARG 60 -1.245 1.304 -19.192 463 HE ARG 60 HE ARG 60 -2.632 -0.297 -17.191 464 HH11 ARG 60 HH11 ARG 60 -3.436 3.591 -17.048 465 HH12 ARG 60 HH12 ARG 60 -2.005 3.090 -17.911 466 HH21 ARG 60 HH21 ARG 60 -4.749 2.035 -16.055 467 HH22 ARG 60 HH22 ARG 60 -4.277 0.333 -16.202 468 H CYS 61 H CYS 61 -2.435 -4.781 -19.976 469 HA CYS 61 HA CYS 61 -1.212 -5.495 -17.507 470 HB2 CYS 61 HB2 CYS 61 -3.552 -6.059 -18.382 471 HB3 CYS 61 HB3 CYS 61 -2.806 -7.390 -19.266 472 H SER 62 H SER 62 0.230 -6.955 -16.932 473 HA SER 62 HA SER 62 1.627 -8.786 -18.767 474 HB2 SER 62 HB2 SER 62 3.855 -7.867 -18.271 475 HB3 SER 62 HB3 SER 62 2.842 -6.675 -19.095 476 HG SER 62 HG SER 62 3.961 -5.768 -17.302 477 H ARG 63 H ARG 63 0.107 -8.484 -15.992 478 HA ARG 63 HA ARG 63 1.848 -9.475 -13.929 479 HB2 ARG 63 HB2 ARG 63 -1.173 -9.313 -14.317 480 HB3 ARG 63 HB3 ARG 63 -0.461 -9.980 -12.854 481 HG2 ARG 63 HG2 ARG 63 0.727 -7.874 -12.406 482 HG3 ARG 63 HG3 ARG 63 -0.002 -7.137 -13.844 483 HD2 ARG 63 HD2 ARG 63 -1.597 -8.361 -11.545 484 HD3 ARG 63 HD3 ARG 63 -1.158 -6.658 -11.607 485 HE ARG 63 HE ARG 63 -3.126 -8.032 -13.408 486 HH11 ARG 63 HH11 ARG 63 -2.811 -4.120 -13.764 487 HH12 ARG 63 HH12 ARG 63 -1.606 -4.882 -12.715 488 HH21 ARG 63 HH21 ARG 63 -4.225 -5.181 -14.802 489 HH22 ARG 63 HH22 ARG 63 -4.345 -6.923 -14.745 490 H GLU 64 H GLU 64 1.562 -11.341 -12.730 491 HA GLU 64 HA GLU 64 0.703 -13.852 -14.118 492 HB2 GLU 64 HB2 GLU 64 3.178 -13.450 -12.384 493 HB3 GLU 64 HB3 GLU 64 2.580 -15.009 -12.970 494 HG2 GLU 64 HG2 GLU 64 2.857 -14.218 -15.322 495 HG3 GLU 64 HG3 GLU 64 3.564 -12.717 -14.719 496 H ASN 65 H ASN 65 -0.153 -11.773 -11.917 497 HA ASN 65 HA ASN 65 -1.473 -13.636 -10.037 498 HB2 ASN 65 HB2 ASN 65 -0.819 -12.220 -8.173 499 HB3 ASN 65 HB3 ASN 65 0.642 -12.808 -8.973 500 HD21 ASN 65 HD21 ASN 65 0.527 -10.551 -7.197 501 HD22 ASN 65 HD22 ASN 65 0.944 -9.139 -8.158 502 H CYS 66 H CYS 66 -2.291 -11.890 -12.417 503 HA CYS 66 HA CYS 66 -3.467 -9.520 -11.756 504 HB2 CYS 66 HB2 CYS 66 -3.080 -10.710 -14.005 505 HB3 CYS 66 HB3 CYS 66 -4.673 -11.449 -13.752 506 H LYS 67 H LYS 67 -4.951 -8.892 -10.489 507 HA LYS 67 HA LYS 67 -6.745 -10.721 -9.056 508 HB2 LYS 67 HB2 LYS 67 -6.608 -7.707 -8.775 509 HB3 LYS 67 HB3 LYS 67 -7.191 -8.910 -7.612 510 HG2 LYS 67 HG2 LYS 67 -4.809 -9.805 -7.523 511 HG3 LYS 67 HG3 LYS 67 -4.329 -8.351 -8.422 512 HD2 LYS 67 HD2 LYS 67 -5.791 -8.396 -5.735 513 HD3 LYS 67 HD3 LYS 67 -4.057 -8.115 -5.932 514 HE2 LYS 67 HE2 LYS 67 -4.416 -6.039 -7.102 515 HE3 LYS 67 HE3 LYS 67 -6.150 -6.344 -7.267 516 HZ1 LYS 67 HZ1 LYS 67 -4.840 -5.975 -4.634 517 HZ2 LYS 67 HZ2 LYS 67 -5.590 -4.777 -5.452 518 HZ3 LYS 67 HZ3 LYS 67 -6.457 -6.056 -4.941 519 H TYR 68 H TYR 68 -7.082 -9.497 -11.966 520 HA TYR 68 HA TYR 68 -10.007 -8.912 -11.740 521 HB2 TYR 68 HB2 TYR 68 -7.937 -7.592 -13.525 522 HB3 TYR 68 HB3 TYR 68 -9.657 -7.248 -13.485 523 HD1 TYR 68 HD1 TYR 68 -10.677 -6.017 -11.611 524 HD2 TYR 68 HD2 TYR 68 -6.434 -6.762 -11.755 525 HE1 TYR 68 HE1 TYR 68 -10.326 -4.326 -9.815 526 HE2 TYR 68 HE2 TYR 68 -6.081 -5.074 -9.952 527 HH TYR 68 HH TYR 68 -8.793 -3.254 -8.480 528 H LEU 69 H LEU 69 -11.316 -9.464 -13.496 529 HA LEU 69 HA LEU 69 -10.563 -11.972 -14.766 530 HB2 LEU 69 HB2 LEU 69 -13.055 -10.249 -14.647 531 HB3 LEU 69 HB3 LEU 69 -12.947 -11.499 -15.866 532 HG LEU 69 HG LEU 69 -14.164 -12.179 -13.854 533 HD11 LEU 69 HD11 LEU 69 -13.164 -14.392 -13.636 534 HD12 LEU 69 HD12 LEU 69 -13.091 -13.860 -15.320 535 HD13 LEU 69 HD13 LEU 69 -11.629 -13.812 -14.317 536 HD21 LEU 69 HD21 LEU 69 -11.485 -12.207 -12.441 537 HD22 LEU 69 HD22 LEU 69 -12.722 -10.978 -12.190 538 HD23 LEU 69 HD23 LEU 69 -13.063 -12.675 -11.772 539 H HIS 70 H HIS 70 -9.500 -12.192 -16.651 540 HA HIS 70 HA HIS 70 -9.216 -9.992 -18.552 541 HB2 HIS 70 HB2 HIS 70 -8.375 -12.881 -18.551 542 HB3 HIS 70 HB3 HIS 70 -8.279 -11.899 -20.007 543 HD1 HIS 70 HD1 HIS 70 -5.581 -11.984 -19.971 544 HD2 HIS 70 HD2 HIS 70 -7.476 -10.028 -16.767 545 HE1 HIS 70 HE1 HIS 70 -3.833 -10.456 -18.902 546 HA PRO 71 HA PRO 71 -13.419 -10.514 -20.081 547 HB2 PRO 71 HB2 PRO 71 -12.133 -9.111 -22.436 548 HB3 PRO 71 HB3 PRO 71 -13.761 -8.874 -21.736 549 HG2 PRO 71 HG2 PRO 71 -11.793 -7.214 -21.038 550 HG3 PRO 71 HG3 PRO 71 -12.797 -7.917 -19.731 551 HD2 PRO 71 HD2 PRO 71 -10.077 -8.837 -20.710 552 HD3 PRO 71 HD3 PRO 71 -10.627 -8.554 -19.039 553 HA PRO 72 HA PRO 72 -12.624 -14.139 -22.744 554 HB2 PRO 72 HB2 PRO 72 -14.986 -15.469 -22.315 555 HB3 PRO 72 HB3 PRO 72 -13.621 -15.494 -21.144 556 HG2 PRO 72 HG2 PRO 72 -16.138 -13.858 -21.128 557 HG3 PRO 72 HG3 PRO 72 -15.345 -14.665 -19.746 558 HD2 PRO 72 HD2 PRO 72 -15.073 -11.978 -20.306 559 HD3 PRO 72 HD3 PRO 72 -13.815 -12.937 -19.481 560 HA PRO 73 HA PRO 73 -14.553 -12.609 -26.470 561 HB2 PRO 73 HB2 PRO 73 -15.077 -15.517 -27.115 562 HB3 PRO 73 HB3 PRO 73 -14.432 -14.226 -28.177 563 HG2 PRO 73 HG2 PRO 73 -12.746 -16.003 -27.031 564 HG3 PRO 73 HG3 PRO 73 -12.321 -14.261 -27.056 565 HD2 PRO 73 HD2 PRO 73 -13.444 -15.891 -24.773 566 HD3 PRO 73 HD3 PRO 73 -12.170 -14.631 -24.765 567 H HIS 74 H HIS 74 -16.382 -15.149 -24.773 568 HA HIS 74 HA HIS 74 -18.943 -14.477 -25.930 569 HB2 HIS 74 HB2 HIS 74 -18.119 -16.724 -24.961 570 HB3 HIS 74 HB3 HIS 74 -18.365 -16.038 -23.359 571 HD1 HIS 74 HD1 HIS 74 -20.605 -16.997 -22.438 572 HD2 HIS 74 HD2 HIS 74 -20.556 -16.356 -26.619 573 HE1 HIS 74 HE1 HIS 74 -22.855 -17.861 -23.342 574 HE2 HIS 74 HE2 HIS 74 -22.842 -17.416 -25.880 575 H LEU 75 H LEU 75 -17.228 -12.947 -23.377 576 HA LEU 75 HA LEU 75 -19.727 -11.508 -22.540 577 HB2 LEU 75 HB2 LEU 75 -17.201 -11.941 -20.934 578 HB3 LEU 75 HB3 LEU 75 -18.587 -11.014 -20.427 579 HG LEU 75 HG LEU 75 -18.649 -14.017 -20.989 580 HD11 LEU 75 HD11 LEU 75 -17.343 -13.295 -18.941 581 HD12 LEU 75 HD12 LEU 75 -18.853 -12.601 -18.314 582 HD13 LEU 75 HD13 LEU 75 -18.736 -14.342 -18.631 583 HD21 LEU 75 HD21 LEU 75 -20.752 -12.108 -19.879 584 HD22 LEU 75 HD22 LEU 75 -20.842 -13.031 -21.393 585 HD23 LEU 75 HD23 LEU 75 -20.865 -13.887 -19.850 586 H LYS 76 H LYS 76 -16.653 -11.109 -24.108 587 HA LYS 76 HA LYS 76 -16.174 -8.344 -23.624 588 HB2 LYS 76 HB2 LYS 76 -15.625 -10.172 -25.977 589 HB3 LYS 76 HB3 LYS 76 -15.320 -8.432 -26.097 590 HG2 LYS 76 HG2 LYS 76 -13.818 -8.469 -24.179 591 HG3 LYS 76 HG3 LYS 76 -14.190 -10.168 -23.870 592 HD2 LYS 76 HD2 LYS 76 -12.024 -9.989 -24.937 593 HD3 LYS 76 HD3 LYS 76 -13.149 -10.804 -26.028 594 HE2 LYS 76 HE2 LYS 76 -13.471 -8.680 -27.283 595 HE3 LYS 76 HE3 LYS 76 -12.398 -7.843 -26.154 596 HZ1 LYS 76 HZ1 LYS 76 -11.220 -8.505 -28.170 597 HZ2 LYS 76 HZ2 LYS 76 -10.590 -9.306 -26.897 598 HZ3 LYS 76 HZ3 LYS 76 -11.585 -10.077 -27.942 599 H THR 77 H THR 77 -18.643 -9.855 -25.723 600 HA THR 77 HA THR 77 -19.522 -7.464 -27.023 601 HB THR 77 HB THR 77 -21.214 -9.858 -26.212 602 HG1 THR 77 HG1 THR 77 -20.616 -10.653 -28.244 603 HG21 THR 77 HG21 THR 77 -22.539 -7.963 -27.081 604 HG22 THR 77 HG22 THR 77 -21.462 -7.842 -28.490 605 HG23 THR 77 HG23 THR 77 -22.490 -9.279 -28.263 606 H GLN 78 H GLN 78 -20.586 -8.981 -23.934 607 HA GLN 78 HA GLN 78 -22.577 -6.980 -23.307 608 HB2 GLN 78 HB2 GLN 78 -21.071 -8.982 -21.548 609 HB3 GLN 78 HB3 GLN 78 -22.438 -8.007 -21.014 610 HG2 GLN 78 HG2 GLN 78 -22.482 -10.125 -23.208 611 HG3 GLN 78 HG3 GLN 78 -23.135 -10.296 -21.587 612 HE21 GLN 78 HE21 GLN 78 -24.443 -10.348 -24.393 613 HE22 GLN 78 HE22 GLN 78 -25.775 -9.217 -24.206 614 H LEU 79 H LEU 79 -19.162 -7.418 -22.356 615 HA LEU 79 HA LEU 79 -19.001 -5.150 -20.612 616 HB2 LEU 79 HB2 LEU 79 -16.914 -6.640 -22.246 617 HB3 LEU 79 HB3 LEU 79 -16.502 -5.370 -21.100 618 HG LEU 79 HG LEU 79 -18.066 -7.856 -20.294 619 HD11 LEU 79 HD11 LEU 79 -15.081 -7.326 -20.170 620 HD12 LEU 79 HD12 LEU 79 -15.911 -8.685 -19.379 621 HD13 LEU 79 HD13 LEU 79 -15.923 -8.564 -21.142 622 HD21 LEU 79 HD21 LEU 79 -18.256 -5.944 -18.712 623 HD22 LEU 79 HD22 LEU 79 -17.277 -7.235 -18.014 624 HD23 LEU 79 HD23 LEU 79 -16.486 -5.799 -18.682 625 H GLU 80 H GLU 80 -18.276 -5.372 -24.170 626 HA GLU 80 HA GLU 80 -17.547 -2.582 -24.268 627 HB2 GLU 80 HB2 GLU 80 -17.492 -2.659 -26.572 628 HB3 GLU 80 HB3 GLU 80 -16.845 -4.195 -26.020 629 HG2 GLU 80 HG2 GLU 80 -18.803 -5.377 -26.760 630 HG3 GLU 80 HG3 GLU 80 -19.731 -3.896 -26.969 631 H ILE 81 H ILE 81 -20.731 -4.182 -24.630 632 HA ILE 81 HA ILE 81 -22.146 -1.845 -25.519 633 HB ILE 81 HB ILE 81 -22.959 -4.408 -24.124 634 HG12 ILE 81 HG12 ILE 81 -23.631 -3.235 -26.863 635 HG13 ILE 81 HG13 ILE 81 -22.264 -4.297 -26.564 636 HG21 ILE 81 HG21 ILE 81 -24.558 -2.734 -23.268 637 HG22 ILE 81 HG22 ILE 81 -24.851 -2.145 -24.922 638 HG23 ILE 81 HG23 ILE 81 -25.346 -3.780 -24.432 639 HD11 ILE 81 HD11 ILE 81 -25.201 -5.031 -26.297 640 HD12 ILE 81 HD12 ILE 81 -24.023 -5.633 -27.471 641 HD13 ILE 81 HD13 ILE 81 -23.859 -6.074 -25.759 642 H ASN 82 H ASN 82 -21.276 -2.972 -22.267 643 HA ASN 82 HA ASN 82 -22.621 -0.776 -20.880 644 HB2 ASN 82 HB2 ASN 82 -20.576 -2.889 -20.076 645 HB3 ASN 82 HB3 ASN 82 -21.013 -1.570 -18.997 646 HD21 ASN 82 HD21 ASN 82 -22.307 -4.460 -20.636 647 HD22 ASN 82 HD22 ASN 82 -23.730 -4.545 -19.600 648 H GLY 83 H GLY 83 -19.237 -1.340 -21.966 649 HA2 GLY 83 HA2 GLY 83 -18.117 1.036 -20.860 650 HA3 GLY 83 HA3 GLY 83 -17.444 0.080 -22.184 651 H ARG 84 H ARG 84 -19.500 0.406 -24.109 652 HA ARG 84 HA ARG 84 -18.901 2.928 -25.345 653 HB2 ARG 84 HB2 ARG 84 -21.008 0.785 -25.819 654 HB3 ARG 84 HB3 ARG 84 -20.906 2.231 -26.823 655 HG2 ARG 84 HG2 ARG 84 -18.721 1.699 -27.628 656 HG3 ARG 84 HG3 ARG 84 -18.449 0.492 -26.378 657 HD2 ARG 84 HD2 ARG 84 -18.808 -0.622 -28.466 658 HD3 ARG 84 HD3 ARG 84 -20.154 -0.986 -27.377 659 HE ARG 84 HE ARG 84 -21.019 1.201 -28.871 660 HH11 ARG 84 HH11 ARG 84 -22.252 -0.375 -31.663 661 HH12 ARG 84 HH12 ARG 84 -22.296 1.055 -30.676 662 HH21 ARG 84 HH21 ARG 84 -20.962 -2.067 -31.164 663 HH22 ARG 84 HH22 ARG 84 -19.907 -2.041 -29.776 664 H ASN 85 H ASN 85 -21.165 2.219 -22.886 665 HA ASN 85 HA ASN 85 -22.624 4.771 -23.326 666 HB2 ASN 85 HB2 ASN 85 -23.897 2.571 -23.277 667 HB3 ASN 85 HB3 ASN 85 -23.390 2.381 -21.599 668 HD21 ASN 85 HD21 ASN 85 -25.342 2.643 -20.501 669 HD22 ASN 85 HD22 ASN 85 -26.368 4.057 -20.691 670 H ASN 86 H ASN 86 -19.893 4.069 -21.922 671 HA ASN 86 HA ASN 86 -20.308 5.682 -19.432 672 HB2 ASN 86 HB2 ASN 86 -20.295 3.257 -18.929 673 HB3 ASN 86 HB3 ASN 86 -18.766 3.071 -19.783 674 HD21 ASN 86 HD21 ASN 86 -20.268 4.162 -16.805 675 HD22 ASN 86 HD22 ASN 86 -18.725 4.395 -15.963 676 H LEU 87 H LEU 87 -18.021 4.591 -21.939 677 HA LEU 87 HA LEU 87 -15.800 6.237 -21.098 678 HB2 LEU 87 HB2 LEU 87 -16.420 4.611 -23.593 679 HB3 LEU 87 HB3 LEU 87 -14.893 5.454 -23.356 680 HG LEU 87 HG LEU 87 -15.915 3.327 -21.421 681 HD11 LEU 87 HD11 LEU 87 -14.307 1.824 -22.500 682 HD12 LEU 87 HD12 LEU 87 -15.529 2.365 -23.661 683 HD13 LEU 87 HD13 LEU 87 -13.900 3.080 -23.694 684 HD21 LEU 87 HD21 LEU 87 -13.501 3.282 -20.758 685 HD22 LEU 87 HD22 LEU 87 -13.199 4.672 -21.813 686 HD23 LEU 87 HD23 LEU 87 -14.269 4.825 -20.398 687 H ILE 88 H ILE 88 -17.386 8.115 -20.954 688 HA ILE 88 HA ILE 88 -16.993 9.898 -23.306 689 HB ILE 88 HB ILE 88 -19.251 10.894 -22.825 690 HG12 ILE 88 HG12 ILE 88 -19.797 8.284 -21.330 691 HG13 ILE 88 HG13 ILE 88 -19.598 9.861 -20.565 692 HG21 ILE 88 HG21 ILE 88 -18.731 9.387 -24.757 693 HG22 ILE 88 HG22 ILE 88 -19.338 8.013 -23.809 694 HG23 ILE 88 HG23 ILE 88 -20.424 9.342 -24.264 695 HD11 ILE 88 HD11 ILE 88 -21.943 9.351 -20.726 696 HD12 ILE 88 HD12 ILE 88 -21.588 10.695 -21.833 697 HD13 ILE 88 HD13 ILE 88 -21.829 9.043 -22.464 698 H GLN 89 H GLN 89 -16.602 12.023 -22.848 699 HA GLN 89 HA GLN 89 -16.661 13.108 -20.139 700 HB2 GLN 89 HB2 GLN 89 -14.218 13.543 -20.061 701 HB3 GLN 89 HB3 GLN 89 -14.618 11.846 -19.916 702 HG2 GLN 89 HG2 GLN 89 -13.723 13.059 -22.564 703 HG3 GLN 89 HG3 GLN 89 -12.593 12.493 -21.346 704 HE21 GLN 89 HE21 GLN 89 -12.819 10.132 -20.624 705 HE22 GLN 89 HE22 GLN 89 -13.311 9.001 -21.878 706 H GLN 90 H GLN 90 -15.997 15.380 -20.060 707 HA GLN 90 HA GLN 90 -17.010 16.937 -22.217 708 HB2 GLN 90 HB2 GLN 90 -15.253 17.721 -19.854 709 HB3 GLN 90 HB3 GLN 90 -16.056 18.866 -20.935 710 HG2 GLN 90 HG2 GLN 90 -18.268 17.905 -20.322 711 HG3 GLN 90 HG3 GLN 90 -17.483 16.829 -19.165 712 HE21 GLN 90 HE21 GLN 90 -19.232 19.619 -19.223 713 HE22 GLN 90 HE22 GLN 90 -18.503 20.422 -17.839 714 H LYS 91 H LYS 91 -13.781 15.751 -21.686 715 HA LYS 91 HA LYS 91 -12.423 17.576 -23.548 716 HB2 LYS 91 HB2 LYS 91 -11.469 14.993 -22.228 717 HB3 LYS 91 HB3 LYS 91 -10.451 16.181 -23.033 718 HG2 LYS 91 HG2 LYS 91 -11.994 16.616 -20.442 719 HG3 LYS 91 HG3 LYS 91 -10.261 16.358 -20.622 720 HD2 LYS 91 HD2 LYS 91 -10.098 18.475 -21.953 721 HD3 LYS 91 HD3 LYS 91 -11.828 18.764 -21.653 722 HE2 LYS 91 HE2 LYS 91 -11.414 18.733 -19.208 723 HE3 LYS 91 HE3 LYS 91 -9.695 18.435 -19.497 724 HZ1 LYS 91 HZ1 LYS 91 -10.128 20.791 -19.108 725 HZ2 LYS 91 HZ2 LYS 91 -9.578 20.591 -20.631 726 HZ3 LYS 91 HZ3 LYS 91 -11.166 20.870 -20.363 727 H ASN 92 H ASN 92 -14.600 15.325 -24.307 728 HA ASN 92 HA ASN 92 -13.239 14.457 -26.829 729 HB2 ASN 92 HB2 ASN 92 -13.154 12.678 -25.105 730 HB3 ASN 92 HB3 ASN 92 -14.900 12.803 -24.880 731 HD21 ASN 92 HD21 ASN 92 -14.417 10.420 -25.254 732 HD22 ASN 92 HD22 ASN 92 -14.596 9.870 -26.927 Start of MODEL 10 1 H MET 1 H MET 1 0.686 17.656 -24.588 2 HA MET 1 HA MET 1 -1.392 17.783 -23.431 3 HB2 MET 1 HB2 MET 1 -2.097 17.323 -26.361 4 HB3 MET 1 HB3 MET 1 -3.127 18.120 -25.176 5 HG2 MET 1 HG2 MET 1 -0.437 19.094 -26.193 6 HG3 MET 1 HG3 MET 1 -2.011 19.760 -26.585 7 HE1 MET 1 HE1 MET 1 -3.498 21.206 -24.984 8 HE2 MET 1 HE2 MET 1 -3.522 19.938 -23.736 9 HE3 MET 1 HE3 MET 1 -3.079 21.601 -23.303 10 H ALA 2 H ALA 2 -0.622 14.727 -24.521 11 HA ALA 2 HA ALA 2 -3.044 13.282 -24.526 12 HB1 ALA 2 HB1 ALA 2 -0.265 12.390 -23.641 13 HB2 ALA 2 HB2 ALA 2 -1.602 11.324 -24.121 14 HB3 ALA 2 HB3 ALA 2 -0.875 12.416 -25.314 15 H VAL 3 H VAL 3 -1.340 14.577 -21.752 16 HA VAL 3 HA VAL 3 -2.388 12.892 -19.701 17 HB VAL 3 HB VAL 3 -0.434 14.407 -19.528 18 HG11 VAL 3 HG11 VAL 3 -1.388 16.454 -20.567 19 HG12 VAL 3 HG12 VAL 3 -2.445 16.666 -19.155 20 HG13 VAL 3 HG13 VAL 3 -0.685 16.759 -18.975 21 HG21 VAL 3 HG21 VAL 3 -2.456 14.922 -17.322 22 HG22 VAL 3 HG22 VAL 3 -1.489 13.439 -17.507 23 HG23 VAL 3 HG23 VAL 3 -0.689 14.992 -17.214 24 H SER 4 H SER 4 -3.969 15.444 -21.494 25 HA SER 4 HA SER 4 -5.950 16.170 -19.551 26 HB2 SER 4 HB2 SER 4 -5.936 16.470 -22.574 27 HB3 SER 4 HB3 SER 4 -7.051 17.282 -21.459 28 HG SER 4 HG SER 4 -5.268 18.615 -21.981 29 H VAL 5 H VAL 5 -5.812 13.202 -21.250 30 HA VAL 5 HA VAL 5 -8.595 12.845 -21.880 31 HB VAL 5 HB VAL 5 -8.136 10.456 -21.989 32 HG11 VAL 5 HG11 VAL 5 -7.580 11.895 -23.896 33 HG12 VAL 5 HG12 VAL 5 -5.929 12.099 -23.280 34 HG13 VAL 5 HG13 VAL 5 -6.498 10.498 -23.787 35 HG21 VAL 5 HG21 VAL 5 -6.616 10.105 -20.119 36 HG22 VAL 5 HG22 VAL 5 -5.861 9.556 -21.620 37 HG23 VAL 5 HG23 VAL 5 -5.369 11.098 -20.893 38 H THR 6 H THR 6 -10.166 11.421 -20.887 39 HA THR 6 HA THR 6 -10.545 11.938 -18.083 40 HB THR 6 HB THR 6 -12.486 10.256 -18.428 41 HG1 THR 6 HG1 THR 6 -12.983 9.815 -20.544 42 HG21 THR 6 HG21 THR 6 -12.767 12.719 -18.483 43 HG22 THR 6 HG22 THR 6 -12.369 12.724 -20.216 44 HG23 THR 6 HG23 THR 6 -13.834 11.896 -19.629 45 HA PRO 7 HA PRO 7 -8.607 8.333 -16.340 46 HB2 PRO 7 HB2 PRO 7 -9.856 8.086 -13.934 47 HB3 PRO 7 HB3 PRO 7 -8.840 9.502 -14.334 48 HG2 PRO 7 HG2 PRO 7 -11.864 9.272 -14.532 49 HG3 PRO 7 HG3 PRO 7 -10.904 10.558 -13.730 50 HD2 PRO 7 HD2 PRO 7 -11.859 10.824 -16.276 51 HD3 PRO 7 HD3 PRO 7 -10.280 11.509 -15.788 52 H ILE 8 H ILE 8 -9.011 6.133 -15.549 53 HA ILE 8 HA ILE 8 -11.459 4.871 -16.722 54 HB ILE 8 HB ILE 8 -10.150 2.841 -16.992 55 HG12 ILE 8 HG12 ILE 8 -7.731 4.456 -16.055 56 HG13 ILE 8 HG13 ILE 8 -8.526 3.178 -15.133 57 HG21 ILE 8 HG21 ILE 8 -8.758 5.217 -18.290 58 HG22 ILE 8 HG22 ILE 8 -8.903 3.564 -18.925 59 HG23 ILE 8 HG23 ILE 8 -10.340 4.578 -18.782 60 HD11 ILE 8 HD11 ILE 8 -7.989 1.569 -16.993 61 HD12 ILE 8 HD12 ILE 8 -7.020 2.852 -17.756 62 HD13 ILE 8 HD13 ILE 8 -6.576 2.240 -16.155 63 H ARG 9 H ARG 9 -10.726 5.932 -13.864 64 HA ARG 9 HA ARG 9 -10.908 3.796 -11.983 65 HB2 ARG 9 HB2 ARG 9 -10.184 6.208 -11.659 66 HB3 ARG 9 HB3 ARG 9 -11.900 6.633 -11.591 67 HG2 ARG 9 HG2 ARG 9 -12.195 5.106 -9.654 68 HG3 ARG 9 HG3 ARG 9 -10.499 4.612 -9.758 69 HD2 ARG 9 HD2 ARG 9 -11.478 7.446 -9.280 70 HD3 ARG 9 HD3 ARG 9 -11.018 6.308 -7.995 71 HE ARG 9 HE ARG 9 -8.807 6.399 -9.692 72 HH11 ARG 9 HH11 ARG 9 -7.137 9.119 -8.408 73 HH12 ARG 9 HH12 ARG 9 -7.016 7.680 -9.377 74 HH21 ARG 9 HH21 ARG 9 -9.040 9.723 -7.490 75 HH22 ARG 9 HH22 ARG 9 -10.475 8.759 -7.712 76 H ASP 10 H ASP 10 -13.397 5.194 -13.944 77 HA ASP 10 HA ASP 10 -15.666 4.428 -12.319 78 HB2 ASP 10 HB2 ASP 10 -15.638 6.336 -13.900 79 HB3 ASP 10 HB3 ASP 10 -15.541 5.209 -15.253 80 H THR 11 H THR 11 -14.743 2.200 -11.980 81 HA THR 11 HA THR 11 -14.795 0.173 -13.980 82 HB THR 11 HB THR 11 -14.863 -1.392 -11.965 83 HG1 THR 11 HG1 THR 11 -15.842 -0.227 -10.406 84 HG21 THR 11 HG21 THR 11 -12.763 0.811 -11.999 85 HG22 THR 11 HG22 THR 11 -12.626 -0.747 -11.156 86 HG23 THR 11 HG23 THR 11 -12.740 -0.711 -12.921 87 H LYS 12 H LYS 12 -17.505 1.790 -13.010 88 HA LYS 12 HA LYS 12 -19.522 -0.038 -12.401 89 HB2 LYS 12 HB2 LYS 12 -19.612 2.499 -12.644 90 HB3 LYS 12 HB3 LYS 12 -19.723 2.250 -14.396 91 HG2 LYS 12 HG2 LYS 12 -21.812 0.765 -13.776 92 HG3 LYS 12 HG3 LYS 12 -21.716 1.578 -12.216 93 HD2 LYS 12 HD2 LYS 12 -22.233 2.791 -14.961 94 HD3 LYS 12 HD3 LYS 12 -23.320 2.694 -13.593 95 HE2 LYS 12 HE2 LYS 12 -22.739 4.911 -13.578 96 HE3 LYS 12 HE3 LYS 12 -21.663 4.256 -12.344 97 HZ1 LYS 12 HZ1 LYS 12 -20.798 4.611 -15.173 98 HZ2 LYS 12 HZ2 LYS 12 -20.651 5.813 -14.074 99 HZ3 LYS 12 HZ3 LYS 12 -19.825 4.444 -13.862 100 H TRP 13 H TRP 13 -18.190 0.675 -15.619 101 HA TRP 13 HA TRP 13 -19.999 -1.075 -17.039 102 HB2 TRP 13 HB2 TRP 13 -19.228 -0.009 -18.812 103 HB3 TRP 13 HB3 TRP 13 -18.387 1.043 -17.728 104 HD1 TRP 13 HD1 TRP 13 -17.738 -2.164 -19.776 105 HE1 TRP 13 HE1 TRP 13 -15.405 -2.070 -20.799 106 HE3 TRP 13 HE3 TRP 13 -16.056 2.159 -17.575 107 HZ2 TRP 13 HZ2 TRP 13 -13.093 -0.369 -20.687 108 HZ3 TRP 13 HZ3 TRP 13 -13.768 2.992 -18.086 109 HH2 TRP 13 HH2 TRP 13 -12.283 1.743 -19.622 110 H LEU 14 H LEU 14 -16.945 -1.578 -15.490 111 HA LEU 14 HA LEU 14 -16.321 -4.130 -16.815 112 HB2 LEU 14 HB2 LEU 14 -14.947 -2.478 -14.651 113 HB3 LEU 14 HB3 LEU 14 -14.268 -3.936 -15.348 114 HG LEU 14 HG LEU 14 -14.900 -1.440 -16.977 115 HD11 LEU 14 HD11 LEU 14 -12.266 -2.399 -15.800 116 HD12 LEU 14 HD12 LEU 14 -12.481 -1.032 -16.925 117 HD13 LEU 14 HD13 LEU 14 -13.176 -0.957 -15.304 118 HD21 LEU 14 HD21 LEU 14 -13.401 -2.474 -18.638 119 HD22 LEU 14 HD22 LEU 14 -13.185 -3.887 -17.593 120 HD23 LEU 14 HD23 LEU 14 -14.776 -3.538 -18.318 121 H THR 15 H THR 15 -17.965 -3.174 -13.914 122 HA THR 15 HA THR 15 -17.219 -5.500 -12.333 123 HB THR 15 HB THR 15 -19.515 -3.659 -11.722 124 HG1 THR 15 HG1 THR 15 -17.527 -2.481 -12.079 125 HG21 THR 15 HG21 THR 15 -17.617 -5.299 -9.986 126 HG22 THR 15 HG22 THR 15 -18.832 -4.158 -9.381 127 HG23 THR 15 HG23 THR 15 -19.354 -5.602 -10.255 128 H LEU 16 H LEU 16 -17.647 -7.088 -13.847 129 HA LEU 16 HA LEU 16 -20.243 -7.842 -14.872 130 HB2 LEU 16 HB2 LEU 16 -17.884 -8.139 -15.825 131 HB3 LEU 16 HB3 LEU 16 -17.614 -9.373 -14.614 132 HG LEU 16 HG LEU 16 -19.152 -10.874 -15.661 133 HD11 LEU 16 HD11 LEU 16 -19.973 -8.567 -17.475 134 HD12 LEU 16 HD12 LEU 16 -20.389 -10.275 -17.747 135 HD13 LEU 16 HD13 LEU 16 -21.008 -9.447 -16.320 136 HD21 LEU 16 HD21 LEU 16 -17.611 -9.364 -17.831 137 HD22 LEU 16 HD22 LEU 16 -16.867 -10.496 -16.686 138 HD23 LEU 16 HD23 LEU 16 -18.057 -11.069 -17.856 139 H GLU 17 H GLU 17 -21.607 -9.585 -14.161 140 HA GLU 17 HA GLU 17 -21.418 -10.297 -11.343 141 HB2 GLU 17 HB2 GLU 17 -23.218 -11.498 -13.471 142 HB3 GLU 17 HB3 GLU 17 -23.367 -11.636 -11.710 143 HG2 GLU 17 HG2 GLU 17 -23.361 -8.926 -11.973 144 HG3 GLU 17 HG3 GLU 17 -24.054 -9.374 -13.533 145 H VAL 18 H VAL 18 -21.150 -12.360 -10.384 146 HA VAL 18 HA VAL 18 -19.322 -14.145 -11.863 147 HB VAL 18 HB VAL 18 -18.980 -15.335 -9.842 148 HG11 VAL 18 HG11 VAL 18 -18.038 -13.642 -8.401 149 HG12 VAL 18 HG12 VAL 18 -17.789 -13.220 -10.102 150 HG13 VAL 18 HG13 VAL 18 -19.038 -12.380 -9.145 151 HG21 VAL 18 HG21 VAL 18 -21.253 -13.752 -8.588 152 HG22 VAL 18 HG22 VAL 18 -21.157 -15.501 -8.816 153 HG23 VAL 18 HG23 VAL 18 -20.071 -14.706 -7.674 154 H CYS 19 H CYS 19 -19.659 -16.445 -12.097 155 HA CYS 19 HA CYS 19 -22.404 -17.142 -12.755 156 HB2 CYS 19 HB2 CYS 19 -20.499 -17.959 -14.080 157 HB3 CYS 19 HB3 CYS 19 -19.894 -18.847 -12.676 158 H ARG 20 H ARG 20 -23.819 -18.208 -11.568 159 HA ARG 20 HA ARG 20 -23.542 -18.441 -8.701 160 HB2 ARG 20 HB2 ARG 20 -25.732 -19.422 -10.589 161 HB3 ARG 20 HB3 ARG 20 -25.827 -19.431 -8.835 162 HG2 ARG 20 HG2 ARG 20 -27.064 -17.570 -9.577 163 HG3 ARG 20 HG3 ARG 20 -25.607 -16.936 -8.808 164 HD2 ARG 20 HD2 ARG 20 -24.654 -16.313 -10.917 165 HD3 ARG 20 HD3 ARG 20 -25.819 -17.296 -11.822 166 HE ARG 20 HE ARG 20 -27.583 -15.693 -10.942 167 HH11 ARG 20 HH11 ARG 20 -28.198 -13.580 -11.333 168 HH12 ARG 20 HH12 ARG 20 -26.940 -12.395 -11.682 169 HH21 ARG 20 HH21 ARG 20 -24.995 -12.830 -11.793 170 HH22 ARG 20 HH22 ARG 20 -24.284 -14.421 -11.491 171 H GLU 21 H GLU 21 -23.459 -20.850 -11.301 172 HA GLU 21 HA GLU 21 -23.456 -23.144 -9.474 173 HB2 GLU 21 HB2 GLU 21 -22.712 -22.932 -12.409 174 HB3 GLU 21 HB3 GLU 21 -22.990 -24.430 -11.517 175 HG2 GLU 21 HG2 GLU 21 -25.085 -22.276 -12.091 176 HG3 GLU 21 HG3 GLU 21 -24.917 -23.804 -12.940 177 H PHE 22 H PHE 22 -21.022 -21.172 -11.147 178 HA PHE 22 HA PHE 22 -18.724 -22.776 -10.556 179 HB2 PHE 22 HB2 PHE 22 -18.854 -20.966 -12.225 180 HB3 PHE 22 HB3 PHE 22 -19.024 -19.787 -10.944 181 HD1 PHE 22 HD1 PHE 22 -16.705 -22.318 -12.415 182 HD2 PHE 22 HD2 PHE 22 -17.092 -18.859 -9.874 183 HE1 PHE 22 HE1 PHE 22 -14.233 -22.072 -12.374 184 HE2 PHE 22 HE2 PHE 22 -14.621 -18.618 -9.829 185 HZ PHE 22 HZ PHE 22 -13.189 -20.217 -11.082 186 H GLN 23 H GLN 23 -20.632 -20.543 -8.574 187 HA GLN 23 HA GLN 23 -18.665 -20.204 -6.486 188 HB2 GLN 23 HB2 GLN 23 -21.695 -20.150 -6.141 189 HB3 GLN 23 HB3 GLN 23 -20.498 -19.557 -5.008 190 HG2 GLN 23 HG2 GLN 23 -21.367 -18.362 -7.621 191 HG3 GLN 23 HG3 GLN 23 -21.345 -17.631 -6.036 192 HE21 GLN 23 HE21 GLN 23 -19.656 -17.885 -8.977 193 HE22 GLN 23 HE22 GLN 23 -18.135 -17.162 -8.420 194 H ARG 24 H ARG 24 -20.570 -22.906 -7.357 195 HA ARG 24 HA ARG 24 -19.875 -24.385 -4.845 196 HB2 ARG 24 HB2 ARG 24 -22.159 -24.874 -6.821 197 HB3 ARG 24 HB3 ARG 24 -21.730 -25.921 -5.475 198 HG2 ARG 24 HG2 ARG 24 -23.442 -24.779 -4.533 199 HG3 ARG 24 HG3 ARG 24 -22.078 -23.809 -3.975 200 HD2 ARG 24 HD2 ARG 24 -22.538 -22.190 -5.838 201 HD3 ARG 24 HD3 ARG 24 -23.908 -23.188 -6.344 202 HE ARG 24 HE ARG 24 -24.309 -22.630 -3.624 203 HH11 ARG 24 HH11 ARG 24 -25.164 -19.447 -5.867 204 HH12 ARG 24 HH12 ARG 24 -24.139 -20.689 -6.550 205 HH21 ARG 24 HH21 ARG 24 -25.600 -21.010 -2.844 206 HH22 ARG 24 HH22 ARG 24 -25.964 -19.631 -3.836 207 H GLY 25 H GLY 25 -18.473 -23.850 -7.619 208 HA2 GLY 25 HA2 GLY 25 -17.009 -24.932 -8.990 209 HA3 GLY 25 HA3 GLY 25 -16.840 -26.132 -7.702 210 H THR 26 H THR 26 -19.815 -25.460 -9.580 211 HA THR 26 HA THR 26 -19.567 -28.138 -10.892 212 HB THR 26 HB THR 26 -20.835 -28.234 -8.765 213 HG1 THR 26 HG1 THR 26 -22.218 -28.820 -11.150 214 HG21 THR 26 HG21 THR 26 -23.131 -27.436 -8.655 215 HG22 THR 26 HG22 THR 26 -22.012 -26.080 -8.830 216 HG23 THR 26 HG23 THR 26 -22.966 -26.622 -10.225 217 H CYS 27 H CYS 27 -19.546 -25.122 -11.865 218 HA CYS 27 HA CYS 27 -21.754 -24.871 -13.642 219 HB2 CYS 27 HB2 CYS 27 -20.247 -23.002 -12.985 220 HB3 CYS 27 HB3 CYS 27 -18.944 -23.723 -13.942 221 H SER 28 H SER 28 -22.212 -25.704 -15.560 222 HA SER 28 HA SER 28 -20.865 -28.045 -16.556 223 HB2 SER 28 HB2 SER 28 -23.135 -26.444 -17.788 224 HB3 SER 28 HB3 SER 28 -22.683 -28.111 -18.190 225 HG SER 28 HG SER 28 -24.435 -28.039 -16.718 226 H ARG 29 H ARG 29 -19.886 -24.919 -17.102 227 HA ARG 29 HA ARG 29 -18.900 -25.450 -19.899 228 HB2 ARG 29 HB2 ARG 29 -19.951 -22.911 -18.599 229 HB3 ARG 29 HB3 ARG 29 -19.188 -22.963 -20.175 230 HG2 ARG 29 HG2 ARG 29 -20.976 -24.237 -21.145 231 HG3 ARG 29 HG3 ARG 29 -21.720 -24.553 -19.572 232 HD2 ARG 29 HD2 ARG 29 -21.397 -21.800 -20.815 233 HD3 ARG 29 HD3 ARG 29 -22.880 -22.749 -20.862 234 HE ARG 29 HE ARG 29 -21.757 -21.311 -18.512 235 HH11 ARG 29 HH11 ARG 29 -24.954 -23.559 -17.851 236 HH12 ARG 29 HH12 ARG 29 -24.197 -23.690 -19.415 237 HH21 ARG 29 HH21 ARG 29 -24.032 -22.254 -16.265 238 HH22 ARG 29 HH22 ARG 29 -22.604 -21.320 -16.663 239 HA PRO 30 HA PRO 30 -14.933 -24.077 -18.195 240 HB2 PRO 30 HB2 PRO 30 -13.624 -23.315 -20.472 241 HB3 PRO 30 HB3 PRO 30 -13.924 -25.032 -20.062 242 HG2 PRO 30 HG2 PRO 30 -15.525 -23.248 -21.913 243 HG3 PRO 30 HG3 PRO 30 -14.933 -24.912 -22.218 244 HD2 PRO 30 HD2 PRO 30 -17.492 -24.443 -21.380 245 HD3 PRO 30 HD3 PRO 30 -16.575 -25.863 -20.822 246 H ASP 31 H ASP 31 -13.761 -22.029 -17.996 247 HA ASP 31 HA ASP 31 -15.350 -19.820 -17.423 248 HB2 ASP 31 HB2 ASP 31 -12.409 -19.725 -18.151 249 HB3 ASP 31 HB3 ASP 31 -13.282 -18.583 -17.135 250 H THR 32 H THR 32 -14.005 -20.620 -20.495 251 HA THR 32 HA THR 32 -14.343 -18.019 -21.786 252 HB THR 32 HB THR 32 -13.727 -19.392 -23.854 253 HG1 THR 32 HG1 THR 32 -12.849 -21.422 -23.400 254 HG21 THR 32 HG21 THR 32 -12.071 -18.066 -22.600 255 HG22 THR 32 HG22 THR 32 -11.793 -19.435 -21.498 256 HG23 THR 32 HG23 THR 32 -11.370 -19.568 -23.222 257 H GLU 33 H GLU 33 -16.519 -20.623 -21.195 258 HA GLU 33 HA GLU 33 -18.225 -19.908 -23.571 259 HB2 GLU 33 HB2 GLU 33 -17.676 -22.424 -22.052 260 HB3 GLU 33 HB3 GLU 33 -19.301 -22.221 -22.677 261 HG2 GLU 33 HG2 GLU 33 -18.429 -21.814 -24.936 262 HG3 GLU 33 HG3 GLU 33 -16.770 -22.000 -24.348 263 H CYS 34 H CYS 34 -18.247 -19.866 -20.056 264 HA CYS 34 HA CYS 34 -21.080 -19.910 -19.813 265 HB2 CYS 34 HB2 CYS 34 -19.263 -20.428 -18.074 266 HB3 CYS 34 HB3 CYS 34 -19.227 -18.684 -17.768 267 H LYS 35 H LYS 35 -22.311 -18.246 -18.747 268 HA LYS 35 HA LYS 35 -22.237 -15.712 -20.345 269 HB2 LYS 35 HB2 LYS 35 -24.631 -16.978 -18.975 270 HB3 LYS 35 HB3 LYS 35 -24.640 -15.626 -20.107 271 HG2 LYS 35 HG2 LYS 35 -23.972 -18.531 -20.719 272 HG3 LYS 35 HG3 LYS 35 -25.388 -17.628 -21.243 273 HD2 LYS 35 HD2 LYS 35 -23.976 -16.154 -22.636 274 HD3 LYS 35 HD3 LYS 35 -22.520 -17.019 -22.137 275 HE2 LYS 35 HE2 LYS 35 -24.850 -18.266 -23.645 276 HE3 LYS 35 HE3 LYS 35 -23.358 -17.676 -24.380 277 HZ1 LYS 35 HZ1 LYS 35 -23.551 -19.910 -22.436 278 HZ2 LYS 35 HZ2 LYS 35 -23.182 -20.034 -24.019 279 HZ3 LYS 35 HZ3 LYS 35 -22.127 -19.317 -22.992 280 H PHE 36 H PHE 36 -21.167 -16.529 -17.514 281 HA PHE 36 HA PHE 36 -21.347 -13.800 -16.422 282 HB2 PHE 36 HB2 PHE 36 -21.808 -16.281 -14.749 283 HB3 PHE 36 HB3 PHE 36 -21.652 -14.631 -14.141 284 HD1 PHE 36 HD1 PHE 36 -23.986 -17.125 -14.761 285 HD2 PHE 36 HD2 PHE 36 -23.383 -12.891 -15.300 286 HE1 PHE 36 HE1 PHE 36 -26.446 -16.771 -14.753 287 HE2 PHE 36 HE2 PHE 36 -25.843 -12.537 -15.281 288 HZ PHE 36 HZ PHE 36 -27.377 -14.478 -15.008 289 H ALA 37 H ALA 37 -19.562 -13.593 -14.658 290 HA ALA 37 HA ALA 37 -17.112 -14.555 -15.912 291 HB1 ALA 37 HB1 ALA 37 -16.062 -13.025 -14.273 292 HB2 ALA 37 HB2 ALA 37 -17.338 -12.241 -15.211 293 HB3 ALA 37 HB3 ALA 37 -17.663 -12.743 -13.541 294 H HIS 38 H HIS 38 -15.456 -15.726 -15.000 295 HA HIS 38 HA HIS 38 -16.054 -17.422 -12.612 296 HB2 HIS 38 HB2 HIS 38 -14.769 -18.111 -15.289 297 HB3 HIS 38 HB3 HIS 38 -14.514 -19.063 -13.835 298 HD1 HIS 38 HD1 HIS 38 -15.527 -21.057 -15.269 299 HD2 HIS 38 HD2 HIS 38 -18.174 -17.951 -14.273 300 HE1 HIS 38 HE1 HIS 38 -17.913 -21.967 -15.644 301 HA PRO 39 HA PRO 39 -12.333 -14.840 -11.615 302 HB2 PRO 39 HB2 PRO 39 -12.540 -15.193 -8.831 303 HB3 PRO 39 HB3 PRO 39 -13.242 -13.865 -9.776 304 HG2 PRO 39 HG2 PRO 39 -14.537 -16.404 -8.813 305 HG3 PRO 39 HG3 PRO 39 -15.227 -14.754 -8.855 306 HD2 PRO 39 HD2 PRO 39 -15.866 -16.617 -10.712 307 HD3 PRO 39 HD3 PRO 39 -15.670 -14.903 -11.173 308 H SER 40 H SER 40 -10.243 -15.332 -11.069 309 HA SER 40 HA SER 40 -9.493 -18.169 -10.851 310 HB2 SER 40 HB2 SER 40 -7.272 -17.440 -11.253 311 HB3 SER 40 HB3 SER 40 -8.295 -16.449 -12.317 312 HG SER 40 HG SER 40 -6.773 -15.164 -11.225 313 H LYS 41 H LYS 41 -7.416 -18.430 -9.421 314 HA LYS 41 HA LYS 41 -8.058 -18.389 -6.629 315 HB2 LYS 41 HB2 LYS 41 -5.473 -18.760 -8.203 316 HB3 LYS 41 HB3 LYS 41 -5.581 -18.982 -6.445 317 HG2 LYS 41 HG2 LYS 41 -7.305 -20.745 -6.766 318 HG3 LYS 41 HG3 LYS 41 -7.151 -20.570 -8.526 319 HD2 LYS 41 HD2 LYS 41 -4.751 -21.197 -8.379 320 HD3 LYS 41 HD3 LYS 41 -4.914 -21.388 -6.618 321 HE2 LYS 41 HE2 LYS 41 -6.648 -23.137 -6.977 322 HE3 LYS 41 HE3 LYS 41 -6.473 -22.953 -8.727 323 HZ1 LYS 41 HZ1 LYS 41 -4.318 -23.852 -6.886 324 HZ2 LYS 41 HZ2 LYS 41 -5.155 -24.816 -7.899 325 HZ3 LYS 41 HZ3 LYS 41 -4.154 -23.679 -8.503 326 H SER 42 H SER 42 -6.710 -15.872 -8.629 327 HA SER 42 HA SER 42 -5.780 -14.347 -6.224 328 HB2 SER 42 HB2 SER 42 -5.046 -13.981 -9.145 329 HB3 SER 42 HB3 SER 42 -4.462 -13.000 -7.790 330 HG SER 42 HG SER 42 -3.632 -14.999 -6.876 331 H CYS 43 H CYS 43 -8.366 -14.298 -8.586 332 HA CYS 43 HA CYS 43 -8.770 -11.486 -8.676 333 HB2 CYS 43 HB2 CYS 43 -10.694 -13.797 -9.105 334 HB3 CYS 43 HB3 CYS 43 -11.043 -12.105 -9.489 335 HG CYS 43 HG CYS 43 -8.416 -13.835 -10.589 336 H GLN 44 H GLN 44 -10.543 -10.255 -7.852 337 HA GLN 44 HA GLN 44 -11.418 -10.991 -5.074 338 HB2 GLN 44 HB2 GLN 44 -10.557 -8.310 -6.241 339 HB3 GLN 44 HB3 GLN 44 -11.480 -8.470 -4.736 340 HG2 GLN 44 HG2 GLN 44 -9.700 -9.983 -3.837 341 HG3 GLN 44 HG3 GLN 44 -8.729 -9.653 -5.279 342 HE21 GLN 44 HE21 GLN 44 -10.210 -8.106 -2.375 343 HE22 GLN 44 HE22 GLN 44 -9.089 -6.754 -2.367 344 H VAL 45 H VAL 45 -13.517 -10.709 -4.526 345 HA VAL 45 HA VAL 45 -15.386 -9.637 -6.532 346 HB VAL 45 HB VAL 45 -16.293 -11.509 -6.947 347 HG11 VAL 45 HG11 VAL 45 -14.148 -12.599 -6.754 348 HG12 VAL 45 HG12 VAL 45 -14.483 -12.985 -5.043 349 HG13 VAL 45 HG13 VAL 45 -15.459 -13.702 -6.344 350 HG21 VAL 45 HG21 VAL 45 -16.815 -12.103 -4.049 351 HG22 VAL 45 HG22 VAL 45 -17.906 -11.313 -5.231 352 HG23 VAL 45 HG23 VAL 45 -17.476 -13.001 -5.434 353 H GLU 46 H GLU 46 -17.340 -8.848 -5.829 354 HA GLU 46 HA GLU 46 -17.888 -8.548 -2.934 355 HB2 GLU 46 HB2 GLU 46 -17.433 -6.233 -4.876 356 HB3 GLU 46 HB3 GLU 46 -18.446 -6.073 -3.437 357 HG2 GLU 46 HG2 GLU 46 -16.560 -6.765 -2.006 358 HG3 GLU 46 HG3 GLU 46 -15.504 -6.820 -3.429 359 H ASN 47 H ASN 47 -20.044 -8.498 -2.501 360 HA ASN 47 HA ASN 47 -22.257 -8.967 -2.832 361 HB2 ASN 47 HB2 ASN 47 -21.758 -6.483 -4.505 362 HB3 ASN 47 HB3 ASN 47 -23.370 -7.000 -3.993 363 HD21 ASN 47 HD21 ASN 47 -21.818 -4.518 -3.331 364 HD22 ASN 47 HD22 ASN 47 -21.797 -4.504 -1.573 365 H GLY 48 H GLY 48 -20.766 -10.670 -4.586 366 HA2 GLY 48 HA2 GLY 48 -21.389 -12.325 -6.097 367 HA3 GLY 48 HA3 GLY 48 -22.914 -11.492 -6.403 368 H ARG 49 H ARG 49 -19.968 -9.632 -6.798 369 HA ARG 49 HA ARG 49 -19.879 -10.098 -9.731 370 HB2 ARG 49 HB2 ARG 49 -19.996 -7.301 -8.522 371 HB3 ARG 49 HB3 ARG 49 -19.966 -7.759 -10.229 372 HG2 ARG 49 HG2 ARG 49 -22.195 -8.921 -9.873 373 HG3 ARG 49 HG3 ARG 49 -22.249 -8.193 -8.264 374 HD2 ARG 49 HD2 ARG 49 -22.224 -5.961 -9.214 375 HD3 ARG 49 HD3 ARG 49 -21.995 -6.616 -10.849 376 HE ARG 49 HE ARG 49 -24.254 -7.847 -10.382 377 HH11 ARG 49 HH11 ARG 49 -26.864 -5.791 -9.988 378 HH12 ARG 49 HH12 ARG 49 -26.237 -7.375 -10.453 379 HH21 ARG 49 HH21 ARG 49 -25.410 -4.200 -9.332 380 HH22 ARG 49 HH22 ARG 49 -23.703 -4.549 -9.283 381 H VAL 50 H VAL 50 -18.080 -9.178 -10.784 382 HA VAL 50 HA VAL 50 -15.553 -8.902 -9.217 383 HB VAL 50 HB VAL 50 -14.507 -10.344 -11.034 384 HG11 VAL 50 HG11 VAL 50 -14.694 -11.163 -8.762 385 HG12 VAL 50 HG12 VAL 50 -16.358 -11.711 -9.081 386 HG13 VAL 50 HG13 VAL 50 -14.993 -12.475 -9.907 387 HG21 VAL 50 HG21 VAL 50 -16.345 -10.559 -12.648 388 HG22 VAL 50 HG22 VAL 50 -15.913 -12.156 -12.000 389 HG23 VAL 50 HG23 VAL 50 -17.368 -11.343 -11.434 390 H ILE 51 H ILE 51 -14.030 -7.568 -10.193 391 HA ILE 51 HA ILE 51 -15.081 -5.878 -12.394 392 HB ILE 51 HB ILE 51 -12.685 -5.512 -10.566 393 HG12 ILE 51 HG12 ILE 51 -15.497 -4.379 -10.587 394 HG13 ILE 51 HG13 ILE 51 -14.782 -5.428 -9.363 395 HG21 ILE 51 HG21 ILE 51 -12.604 -3.219 -11.479 396 HG22 ILE 51 HG22 ILE 51 -12.392 -4.367 -12.781 397 HG23 ILE 51 HG23 ILE 51 -13.970 -3.579 -12.562 398 HD11 ILE 51 HD11 ILE 51 -14.069 -2.528 -9.859 399 HD12 ILE 51 HD12 ILE 51 -14.951 -3.224 -8.494 400 HD13 ILE 51 HD13 ILE 51 -13.225 -3.611 -8.717 401 H ALA 52 H ALA 52 -14.461 -6.082 -14.441 402 HA ALA 52 HA ALA 52 -12.561 -8.073 -15.292 403 HB1 ALA 52 HB1 ALA 52 -14.011 -5.879 -16.819 404 HB2 ALA 52 HB2 ALA 52 -13.094 -7.213 -17.554 405 HB3 ALA 52 HB3 ALA 52 -14.552 -7.553 -16.599 406 H CYS 53 H CYS 53 -10.559 -7.835 -16.280 407 HA CYS 53 HA CYS 53 -8.856 -5.848 -15.165 408 HB2 CYS 53 HB2 CYS 53 -8.215 -8.191 -15.623 409 HB3 CYS 53 HB3 CYS 53 -8.255 -7.859 -17.357 410 H PHE 54 H PHE 54 -9.175 -3.833 -15.692 411 HA PHE 54 HA PHE 54 -9.730 -2.756 -18.292 412 HB2 PHE 54 HB2 PHE 54 -8.932 -0.610 -17.301 413 HB3 PHE 54 HB3 PHE 54 -10.205 -1.396 -16.393 414 HD1 PHE 54 HD1 PHE 54 -9.852 -2.228 -14.134 415 HD2 PHE 54 HD2 PHE 54 -6.590 -0.546 -16.405 416 HE1 PHE 54 HE1 PHE 54 -8.450 -2.183 -12.092 417 HE2 PHE 54 HE2 PHE 54 -5.172 -0.548 -14.380 418 HZ PHE 54 HZ PHE 54 -6.104 -1.346 -12.203 419 H ASP 55 H ASP 55 -6.679 -3.507 -16.596 420 HA ASP 55 HA ASP 55 -4.915 -2.304 -18.518 421 HB2 ASP 55 HB2 ASP 55 -4.474 -4.640 -16.622 422 HB3 ASP 55 HB3 ASP 55 -3.223 -3.899 -17.610 423 H SER 56 H SER 56 -6.267 -5.684 -18.312 424 HA SER 56 HA SER 56 -4.925 -6.611 -20.662 425 HB2 SER 56 HB2 SER 56 -5.906 -8.110 -19.028 426 HB3 SER 56 HB3 SER 56 -7.539 -7.544 -19.419 427 HG SER 56 HG SER 56 -6.817 -9.531 -20.495 428 H LEU 57 H LEU 57 -8.196 -5.167 -20.263 429 HA LEU 57 HA LEU 57 -8.950 -5.251 -23.020 430 HB2 LEU 57 HB2 LEU 57 -9.770 -3.575 -20.629 431 HB3 LEU 57 HB3 LEU 57 -10.460 -3.255 -22.213 432 HG LEU 57 HG LEU 57 -10.579 -6.018 -20.933 433 HD11 LEU 57 HD11 LEU 57 -12.887 -5.448 -20.286 434 HD12 LEU 57 HD12 LEU 57 -11.712 -4.402 -19.479 435 HD13 LEU 57 HD13 LEU 57 -12.647 -3.780 -20.860 436 HD21 LEU 57 HD21 LEU 57 -12.517 -6.263 -22.524 437 HD22 LEU 57 HD22 LEU 57 -12.130 -4.675 -23.202 438 HD23 LEU 57 HD23 LEU 57 -10.982 -6.021 -23.363 439 H LYS 58 H LYS 58 -7.175 -2.702 -21.229 440 HA LYS 58 HA LYS 58 -7.030 -0.937 -23.579 441 HB2 LYS 58 HB2 LYS 58 -5.742 -0.825 -20.820 442 HB3 LYS 58 HB3 LYS 58 -5.551 0.428 -22.029 443 HG2 LYS 58 HG2 LYS 58 -8.210 -0.413 -20.792 444 HG3 LYS 58 HG3 LYS 58 -7.253 0.980 -20.314 445 HD2 LYS 58 HD2 LYS 58 -8.644 0.565 -22.994 446 HD3 LYS 58 HD3 LYS 58 -9.158 1.628 -21.679 447 HE2 LYS 58 HE2 LYS 58 -7.052 2.946 -21.922 448 HE3 LYS 58 HE3 LYS 58 -6.562 1.908 -23.267 449 HZ1 LYS 58 HZ1 LYS 58 -7.623 3.935 -24.067 450 HZ2 LYS 58 HZ2 LYS 58 -8.541 2.653 -24.482 451 HZ3 LYS 58 HZ3 LYS 58 -8.994 3.617 -23.242 452 H GLY 59 H GLY 59 -5.186 -3.632 -22.609 453 HA2 GLY 59 HA2 GLY 59 -3.454 -4.630 -23.818 454 HA3 GLY 59 HA3 GLY 59 -3.227 -3.159 -24.763 455 H ARG 60 H ARG 60 -3.182 -3.489 -21.229 456 HA ARG 60 HA ARG 60 -0.296 -2.676 -21.104 457 HB2 ARG 60 HB2 ARG 60 -2.003 -0.902 -20.595 458 HB3 ARG 60 HB3 ARG 60 -2.570 -1.865 -19.227 459 HG2 ARG 60 HG2 ARG 60 -0.473 -1.591 -18.062 460 HG3 ARG 60 HG3 ARG 60 0.323 -0.953 -19.515 461 HD2 ARG 60 HD2 ARG 60 -0.115 0.880 -18.041 462 HD3 ARG 60 HD3 ARG 60 -1.201 1.029 -19.433 463 HE ARG 60 HE ARG 60 -2.519 -0.435 -17.327 464 HH11 ARG 60 HH11 ARG 60 -4.155 2.036 -15.772 465 HH12 ARG 60 HH12 ARG 60 -3.926 0.306 -16.082 466 HH21 ARG 60 HH21 ARG 60 -2.816 3.500 -16.866 467 HH22 ARG 60 HH22 ARG 60 -1.586 2.899 -17.946 468 H CYS 61 H CYS 61 -2.621 -5.022 -19.918 469 HA CYS 61 HA CYS 61 -1.239 -5.667 -17.509 470 HB2 CYS 61 HB2 CYS 61 -3.655 -6.181 -18.154 471 HB3 CYS 61 HB3 CYS 61 -3.044 -7.577 -19.035 472 H SER 62 H SER 62 0.027 -7.327 -16.941 473 HA SER 62 HA SER 62 1.277 -9.215 -18.813 474 HB2 SER 62 HB2 SER 62 3.577 -8.454 -18.367 475 HB3 SER 62 HB3 SER 62 2.630 -7.197 -19.171 476 HG SER 62 HG SER 62 3.848 -6.365 -17.409 477 H ARG 63 H ARG 63 -0.123 -8.791 -15.960 478 HA ARG 63 HA ARG 63 1.640 -9.972 -14.004 479 HB2 ARG 63 HB2 ARG 63 -1.379 -9.550 -14.159 480 HB3 ARG 63 HB3 ARG 63 -0.562 -10.166 -12.723 481 HG2 ARG 63 HG2 ARG 63 0.755 -8.112 -12.522 482 HG3 ARG 63 HG3 ARG 63 -0.002 -7.437 -13.972 483 HD2 ARG 63 HD2 ARG 63 -1.565 -8.325 -11.511 484 HD3 ARG 63 HD3 ARG 63 -0.962 -6.684 -11.719 485 HE ARG 63 HE ARG 63 -3.114 -7.994 -13.362 486 HH11 ARG 63 HH11 ARG 63 -4.184 -5.100 -14.672 487 HH12 ARG 63 HH12 ARG 63 -4.361 -6.844 -14.606 488 HH21 ARG 63 HH21 ARG 63 -2.671 -4.099 -13.724 489 HH22 ARG 63 HH22 ARG 63 -1.430 -4.913 -12.758 490 H GLU 64 H GLU 64 1.263 -11.883 -12.835 491 HA GLU 64 HA GLU 64 0.158 -14.221 -14.362 492 HB2 GLU 64 HB2 GLU 64 2.595 -14.116 -12.542 493 HB3 GLU 64 HB3 GLU 64 1.903 -15.586 -13.241 494 HG2 GLU 64 HG2 GLU 64 2.303 -14.678 -15.530 495 HG3 GLU 64 HG3 GLU 64 3.091 -13.266 -14.820 496 H ASN 65 H ASN 65 -0.432 -12.280 -11.836 497 HA ASN 65 HA ASN 65 -2.182 -14.183 -10.406 498 HB2 ASN 65 HB2 ASN 65 0.080 -12.525 -9.208 499 HB3 ASN 65 HB3 ASN 65 -1.294 -13.048 -8.233 500 HD21 ASN 65 HD21 ASN 65 -1.841 -15.441 -8.307 501 HD22 ASN 65 HD22 ASN 65 -0.449 -16.525 -8.275 502 H CYS 66 H CYS 66 -2.750 -12.238 -12.388 503 HA CYS 66 HA CYS 66 -3.423 -9.682 -11.534 504 HB2 CYS 66 HB2 CYS 66 -3.312 -10.722 -13.872 505 HB3 CYS 66 HB3 CYS 66 -4.944 -11.343 -13.582 506 H LYS 67 H LYS 67 -4.960 -8.830 -10.305 507 HA LYS 67 HA LYS 67 -6.807 -10.571 -8.839 508 HB2 LYS 67 HB2 LYS 67 -6.634 -7.567 -8.556 509 HB3 LYS 67 HB3 LYS 67 -7.205 -8.771 -7.390 510 HG2 LYS 67 HG2 LYS 67 -4.786 -9.688 -7.411 511 HG3 LYS 67 HG3 LYS 67 -4.351 -8.179 -8.240 512 HD2 LYS 67 HD2 LYS 67 -5.705 -8.430 -5.517 513 HD3 LYS 67 HD3 LYS 67 -3.998 -8.056 -5.772 514 HE2 LYS 67 HE2 LYS 67 -4.492 -5.918 -6.753 515 HE3 LYS 67 HE3 LYS 67 -6.210 -6.306 -6.918 516 HZ1 LYS 67 HZ1 LYS 67 -5.807 -4.877 -5.000 517 HZ2 LYS 67 HZ2 LYS 67 -6.441 -6.317 -4.547 518 HZ3 LYS 67 HZ3 LYS 67 -4.842 -6.003 -4.308 519 H TYR 68 H TYR 68 -7.111 -9.209 -11.763 520 HA TYR 68 HA TYR 68 -10.033 -8.641 -11.502 521 HB2 TYR 68 HB2 TYR 68 -7.978 -7.366 -13.331 522 HB3 TYR 68 HB3 TYR 68 -9.696 -7.012 -13.292 523 HD1 TYR 68 HD1 TYR 68 -6.470 -6.541 -11.548 524 HD2 TYR 68 HD2 TYR 68 -10.708 -5.740 -11.439 525 HE1 TYR 68 HE1 TYR 68 -6.104 -4.816 -9.787 526 HE2 TYR 68 HE2 TYR 68 -10.341 -4.022 -9.676 527 HH TYR 68 HH TYR 68 -8.804 -2.950 -8.349 528 H LEU 69 H LEU 69 -11.341 -9.147 -13.280 529 HA LEU 69 HA LEU 69 -10.727 -11.754 -14.390 530 HB2 LEU 69 HB2 LEU 69 -13.085 -9.906 -14.250 531 HB3 LEU 69 HB3 LEU 69 -13.085 -11.049 -15.572 532 HG LEU 69 HG LEU 69 -14.296 -11.745 -13.534 533 HD11 LEU 69 HD11 LEU 69 -12.041 -13.628 -14.325 534 HD12 LEU 69 HD12 LEU 69 -13.608 -14.060 -13.617 535 HD13 LEU 69 HD13 LEU 69 -13.540 -13.370 -15.245 536 HD21 LEU 69 HD21 LEU 69 -13.188 -12.564 -11.591 537 HD22 LEU 69 HD22 LEU 69 -11.590 -12.362 -12.320 538 HD23 LEU 69 HD23 LEU 69 -12.533 -10.938 -11.868 539 H HIS 70 H HIS 70 -9.466 -12.091 -16.118 540 HA HIS 70 HA HIS 70 -9.266 -10.204 -18.342 541 HB2 HIS 70 HB2 HIS 70 -8.356 -13.061 -17.914 542 HB3 HIS 70 HB3 HIS 70 -8.258 -12.276 -19.487 543 HD1 HIS 70 HD1 HIS 70 -5.568 -12.257 -19.455 544 HD2 HIS 70 HD2 HIS 70 -7.495 -10.092 -16.403 545 HE1 HIS 70 HE1 HIS 70 -3.839 -10.640 -18.489 546 HA PRO 71 HA PRO 71 -13.394 -11.427 -19.332 547 HB2 PRO 71 HB2 PRO 71 -13.964 -9.898 -21.497 548 HB3 PRO 71 HB3 PRO 71 -13.734 -9.291 -19.832 549 HG2 PRO 71 HG2 PRO 71 -11.656 -9.331 -22.040 550 HG3 PRO 71 HG3 PRO 71 -12.159 -7.954 -21.000 551 HD2 PRO 71 HD2 PRO 71 -9.991 -9.487 -20.396 552 HD3 PRO 71 HD3 PRO 71 -11.059 -8.829 -19.128 553 HA PRO 72 HA PRO 72 -12.839 -14.686 -22.383 554 HB2 PRO 72 HB2 PRO 72 -15.214 -15.988 -22.103 555 HB3 PRO 72 HB3 PRO 72 -13.955 -15.996 -20.822 556 HG2 PRO 72 HG2 PRO 72 -16.420 -14.257 -21.015 557 HG3 PRO 72 HG3 PRO 72 -15.828 -15.175 -19.596 558 HD2 PRO 72 HD2 PRO 72 -15.289 -12.500 -19.976 559 HD3 PRO 72 HD3 PRO 72 -14.158 -13.607 -19.145 560 HA PRO 73 HA PRO 73 -14.459 -13.147 -26.220 561 HB2 PRO 73 HB2 PRO 73 -15.352 -16.000 -26.716 562 HB3 PRO 73 HB3 PRO 73 -14.556 -14.859 -27.849 563 HG2 PRO 73 HG2 PRO 73 -13.088 -16.736 -26.582 564 HG3 PRO 73 HG3 PRO 73 -12.474 -15.053 -26.682 565 HD2 PRO 73 HD2 PRO 73 -13.798 -16.437 -24.348 566 HD3 PRO 73 HD3 PRO 73 -12.406 -15.310 -24.374 567 H HIS 74 H HIS 74 -16.751 -15.331 -24.553 568 HA HIS 74 HA HIS 74 -19.104 -14.259 -25.882 569 HB2 HIS 74 HB2 HIS 74 -18.768 -16.068 -23.442 570 HB3 HIS 74 HB3 HIS 74 -20.319 -15.659 -24.164 571 HD1 HIS 74 HD1 HIS 74 -17.356 -17.974 -24.754 572 HD2 HIS 74 HD2 HIS 74 -20.822 -16.540 -26.714 573 HE1 HIS 74 HE1 HIS 74 -17.726 -19.497 -26.799 574 HE2 HIS 74 HE2 HIS 74 -19.847 -18.628 -27.977 575 H LEU 75 H LEU 75 -17.298 -12.978 -23.263 576 HA LEU 75 HA LEU 75 -19.606 -11.227 -22.493 577 HB2 LEU 75 HB2 LEU 75 -17.269 -12.135 -20.800 578 HB3 LEU 75 HB3 LEU 75 -18.485 -10.984 -20.286 579 HG LEU 75 HG LEU 75 -19.045 -13.884 -21.069 580 HD11 LEU 75 HD11 LEU 75 -19.297 -14.435 -18.833 581 HD12 LEU 75 HD12 LEU 75 -17.803 -13.491 -18.857 582 HD13 LEU 75 HD13 LEU 75 -19.324 -12.754 -18.283 583 HD21 LEU 75 HD21 LEU 75 -21.284 -13.430 -20.032 584 HD22 LEU 75 HD22 LEU 75 -20.855 -11.708 -19.924 585 HD23 LEU 75 HD23 LEU 75 -21.019 -12.508 -21.503 586 H LYS 76 H LYS 76 -16.457 -11.187 -23.927 587 HA LYS 76 HA LYS 76 -15.685 -8.480 -23.413 588 HB2 LYS 76 HB2 LYS 76 -15.327 -10.304 -25.819 589 HB3 LYS 76 HB3 LYS 76 -14.701 -8.645 -25.780 590 HG2 LYS 76 HG2 LYS 76 -13.368 -9.112 -23.795 591 HG3 LYS 76 HG3 LYS 76 -14.048 -10.733 -23.662 592 HD2 LYS 76 HD2 LYS 76 -11.843 -10.897 -24.588 593 HD3 LYS 76 HD3 LYS 76 -13.018 -11.352 -25.830 594 HE2 LYS 76 HE2 LYS 76 -12.811 -9.092 -26.852 595 HE3 LYS 76 HE3 LYS 76 -11.684 -8.613 -25.576 596 HZ1 LYS 76 HZ1 LYS 76 -11.195 -10.776 -27.559 597 HZ2 LYS 76 HZ2 LYS 76 -10.508 -9.298 -27.585 598 HZ3 LYS 76 HZ3 LYS 76 -10.152 -10.336 -26.378 599 H THR 77 H THR 77 -18.138 -9.786 -25.632 600 HA THR 77 HA THR 77 -18.817 -7.359 -26.992 601 HB THR 77 HB THR 77 -20.663 -9.677 -26.320 602 HG1 THR 77 HG1 THR 77 -18.916 -9.382 -28.537 603 HG21 THR 77 HG21 THR 77 -20.616 -7.698 -28.642 604 HG22 THR 77 HG22 THR 77 -21.688 -9.115 -28.516 605 HG23 THR 77 HG23 THR 77 -21.835 -7.789 -27.353 606 H GLN 78 H GLN 78 -20.047 -8.826 -23.951 607 HA GLN 78 HA GLN 78 -22.141 -6.875 -23.518 608 HB2 GLN 78 HB2 GLN 78 -20.697 -8.716 -21.556 609 HB3 GLN 78 HB3 GLN 78 -22.192 -7.839 -21.235 610 HG2 GLN 78 HG2 GLN 78 -21.784 -10.093 -23.248 611 HG3 GLN 78 HG3 GLN 78 -22.660 -10.188 -21.730 612 HE21 GLN 78 HE21 GLN 78 -23.508 -10.567 -24.683 613 HE22 GLN 78 HE22 GLN 78 -24.931 -9.544 -24.799 614 H LEU 79 H LEU 79 -18.781 -7.220 -22.349 615 HA LEU 79 HA LEU 79 -18.773 -4.858 -20.713 616 HB2 LEU 79 HB2 LEU 79 -16.519 -6.345 -22.107 617 HB3 LEU 79 HB3 LEU 79 -16.281 -5.048 -20.933 618 HG LEU 79 HG LEU 79 -17.701 -7.688 -20.348 619 HD11 LEU 79 HD11 LEU 79 -15.697 -8.214 -19.075 620 HD12 LEU 79 HD12 LEU 79 -15.299 -7.882 -20.775 621 HD13 LEU 79 HD13 LEU 79 -14.964 -6.654 -19.528 622 HD21 LEU 79 HD21 LEU 79 -18.593 -6.010 -18.854 623 HD22 LEU 79 HD22 LEU 79 -17.403 -6.945 -17.948 624 HD23 LEU 79 HD23 LEU 79 -16.973 -5.337 -18.564 625 H GLU 80 H GLU 80 -17.849 -5.224 -24.224 626 HA GLU 80 HA GLU 80 -17.155 -2.415 -24.349 627 HB2 GLU 80 HB2 GLU 80 -17.026 -2.521 -26.653 628 HB3 GLU 80 HB3 GLU 80 -16.333 -4.013 -26.035 629 HG2 GLU 80 HG2 GLU 80 -18.219 -5.295 -26.777 630 HG3 GLU 80 HG3 GLU 80 -19.183 -3.854 -27.110 631 H ILE 81 H ILE 81 -20.280 -4.087 -24.775 632 HA ILE 81 HA ILE 81 -21.748 -1.768 -25.672 633 HB ILE 81 HB ILE 81 -22.554 -4.362 -24.320 634 HG12 ILE 81 HG12 ILE 81 -23.145 -3.246 -27.100 635 HG13 ILE 81 HG13 ILE 81 -21.759 -4.263 -26.743 636 HG21 ILE 81 HG21 ILE 81 -24.203 -2.692 -23.558 637 HG22 ILE 81 HG22 ILE 81 -24.418 -2.117 -25.228 638 HG23 ILE 81 HG23 ILE 81 -24.932 -3.749 -24.749 639 HD11 ILE 81 HD11 ILE 81 -24.679 -5.085 -26.535 640 HD12 ILE 81 HD12 ILE 81 -23.460 -5.661 -27.678 641 HD13 ILE 81 HD13 ILE 81 -23.317 -6.076 -25.958 642 H ASN 82 H ASN 82 -20.987 -3.014 -22.395 643 HA ASN 82 HA ASN 82 -22.376 -0.923 -20.962 644 HB2 ASN 82 HB2 ASN 82 -19.931 -2.574 -20.168 645 HB3 ASN 82 HB3 ASN 82 -20.867 -1.550 -19.087 646 HD21 ASN 82 HD21 ASN 82 -20.409 -4.075 -18.373 647 HD22 ASN 82 HD22 ASN 82 -21.913 -4.991 -18.479 648 H GLY 83 H GLY 83 -18.994 -1.219 -22.131 649 HA2 GLY 83 HA2 GLY 83 -17.910 1.187 -21.105 650 HA3 GLY 83 HA3 GLY 83 -17.343 0.314 -22.534 651 H ARG 84 H ARG 84 -19.474 0.577 -24.290 652 HA ARG 84 HA ARG 84 -19.244 3.211 -25.393 653 HB2 ARG 84 HB2 ARG 84 -21.252 0.958 -25.796 654 HB3 ARG 84 HB3 ARG 84 -21.282 2.436 -26.757 655 HG2 ARG 84 HG2 ARG 84 -19.137 2.008 -27.729 656 HG3 ARG 84 HG3 ARG 84 -18.779 0.706 -26.598 657 HD2 ARG 84 HD2 ARG 84 -20.714 -0.596 -27.513 658 HD3 ARG 84 HD3 ARG 84 -20.974 0.661 -28.721 659 HE ARG 84 HE ARG 84 -18.921 -1.432 -28.711 660 HH11 ARG 84 HH11 ARG 84 -18.519 1.409 -31.459 661 HH12 ARG 84 HH12 ARG 84 -19.591 1.722 -30.120 662 HH21 ARG 84 HH21 ARG 84 -17.427 -0.545 -31.593 663 HH22 ARG 84 HH22 ARG 84 -17.687 -1.756 -30.336 664 H ASN 85 H ASN 85 -21.268 2.124 -22.824 665 HA ASN 85 HA ASN 85 -23.010 4.538 -22.978 666 HB2 ASN 85 HB2 ASN 85 -23.322 1.812 -21.660 667 HB3 ASN 85 HB3 ASN 85 -24.349 3.179 -21.248 668 HD21 ASN 85 HD21 ASN 85 -23.658 0.794 -23.753 669 HD22 ASN 85 HD22 ASN 85 -25.022 1.273 -24.759 670 H ASN 86 H ASN 86 -20.102 3.923 -21.670 671 HA ASN 86 HA ASN 86 -20.582 5.694 -19.292 672 HB2 ASN 86 HB2 ASN 86 -18.965 3.117 -19.462 673 HB3 ASN 86 HB3 ASN 86 -18.636 4.353 -18.249 674 HD21 ASN 86 HD21 ASN 86 -21.022 1.951 -19.300 675 HD22 ASN 86 HD22 ASN 86 -21.941 2.028 -17.797 676 H LEU 87 H LEU 87 -18.284 4.657 -21.831 677 HA LEU 87 HA LEU 87 -16.165 6.442 -21.282 678 HB2 LEU 87 HB2 LEU 87 -16.084 4.483 -22.778 679 HB3 LEU 87 HB3 LEU 87 -17.221 5.252 -23.882 680 HG LEU 87 HG LEU 87 -15.544 6.989 -24.432 681 HD11 LEU 87 HD11 LEU 87 -13.692 5.376 -22.617 682 HD12 LEU 87 HD12 LEU 87 -13.179 6.664 -23.729 683 HD13 LEU 87 HD13 LEU 87 -14.218 7.055 -22.357 684 HD21 LEU 87 HD21 LEU 87 -14.046 5.530 -25.706 685 HD22 LEU 87 HD22 LEU 87 -14.500 4.142 -24.689 686 HD23 LEU 87 HD23 LEU 87 -15.705 4.907 -25.746 687 H ILE 88 H ILE 88 -19.236 6.996 -22.862 688 HA ILE 88 HA ILE 88 -18.773 9.403 -24.229 689 HB ILE 88 HB ILE 88 -21.288 9.716 -24.010 690 HG12 ILE 88 HG12 ILE 88 -22.607 7.764 -23.414 691 HG13 ILE 88 HG13 ILE 88 -21.174 6.886 -22.888 692 HG21 ILE 88 HG21 ILE 88 -20.124 8.715 -25.942 693 HG22 ILE 88 HG22 ILE 88 -20.184 7.121 -25.167 694 HG23 ILE 88 HG23 ILE 88 -21.684 7.936 -25.645 695 HD11 ILE 88 HD11 ILE 88 -22.597 7.809 -21.029 696 HD12 ILE 88 HD12 ILE 88 -20.913 8.335 -20.962 697 HD13 ILE 88 HD13 ILE 88 -22.171 9.447 -21.565 698 H GLN 89 H GLN 89 -18.501 9.132 -20.905 699 HA GLN 89 HA GLN 89 -19.588 11.668 -20.055 700 HB2 GLN 89 HB2 GLN 89 -17.528 9.756 -18.893 701 HB3 GLN 89 HB3 GLN 89 -18.005 11.250 -18.079 702 HG2 GLN 89 HG2 GLN 89 -20.322 10.548 -17.933 703 HG3 GLN 89 HG3 GLN 89 -20.005 9.104 -18.892 704 HE21 GLN 89 HE21 GLN 89 -18.541 7.454 -17.973 705 HE22 GLN 89 HE22 GLN 89 -18.475 7.259 -16.214 706 H GLN 90 H GLN 90 -16.799 10.989 -21.995 707 HA GLN 90 HA GLN 90 -15.220 13.244 -21.085 708 HB2 GLN 90 HB2 GLN 90 -13.615 12.623 -22.532 709 HB3 GLN 90 HB3 GLN 90 -14.385 11.082 -22.226 710 HG2 GLN 90 HG2 GLN 90 -14.762 12.806 -24.729 711 HG3 GLN 90 HG3 GLN 90 -13.674 11.446 -24.567 712 HE21 GLN 90 HE21 GLN 90 -14.465 9.659 -25.644 713 HE22 GLN 90 HE22 GLN 90 -16.170 9.235 -25.689 714 H LYS 91 H LYS 91 -18.007 13.128 -23.016 715 HA LYS 91 HA LYS 91 -17.593 15.223 -24.907 716 HB2 LYS 91 HB2 LYS 91 -20.093 14.199 -23.493 717 HB3 LYS 91 HB3 LYS 91 -20.138 15.395 -24.794 718 HG2 LYS 91 HG2 LYS 91 -19.093 13.831 -26.357 719 HG3 LYS 91 HG3 LYS 91 -18.955 12.604 -25.087 720 HD2 LYS 91 HD2 LYS 91 -21.418 12.585 -24.819 721 HD3 LYS 91 HD3 LYS 91 -21.581 13.759 -26.131 722 HE2 LYS 91 HE2 LYS 91 -20.288 11.002 -26.394 723 HE3 LYS 91 HE3 LYS 91 -21.981 11.342 -26.765 724 HZ1 LYS 91 HZ1 LYS 91 -21.232 12.916 -28.472 725 HZ2 LYS 91 HZ2 LYS 91 -19.662 12.572 -28.158 726 HZ3 LYS 91 HZ3 LYS 91 -20.644 11.426 -28.772 727 H ASN 92 H ASN 92 -18.408 17.351 -24.966 728 HA ASN 92 HA ASN 92 -18.943 18.804 -22.446 729 HB2 ASN 92 HB2 ASN 92 -16.462 18.783 -22.667 730 HB3 ASN 92 HB3 ASN 92 -16.600 19.443 -24.298 731 HD21 ASN 92 HD21 ASN 92 -15.123 21.117 -23.312 732 HD22 ASN 92 HD22 ASN 92 -15.896 22.454 -22.472 Start of MODEL 11 1 H MET 1 H MET 1 -10.597 27.789 -3.619 2 HA MET 1 HA MET 1 -13.127 27.641 -2.981 3 HB2 MET 1 HB2 MET 1 -12.222 28.243 -5.832 4 HB3 MET 1 HB3 MET 1 -13.811 28.627 -5.187 5 HG2 MET 1 HG2 MET 1 -12.609 30.624 -5.056 6 HG3 MET 1 HG3 MET 1 -12.762 30.023 -3.416 7 HE1 MET 1 HE1 MET 1 -10.096 29.049 -6.294 8 HE2 MET 1 HE2 MET 1 -10.413 30.795 -6.438 9 HE3 MET 1 HE3 MET 1 -8.827 30.219 -5.885 10 H ALA 2 H ALA 2 -11.812 24.976 -4.449 11 HA ALA 2 HA ALA 2 -14.416 23.626 -4.744 12 HB1 ALA 2 HB1 ALA 2 -13.880 22.818 -7.024 13 HB2 ALA 2 HB2 ALA 2 -13.987 24.586 -6.995 14 HB3 ALA 2 HB3 ALA 2 -12.396 23.795 -7.032 15 H VAL 3 H VAL 3 -14.115 21.267 -5.165 16 HA VAL 3 HA VAL 3 -11.564 20.063 -4.240 17 HB VAL 3 HB VAL 3 -12.768 18.564 -2.686 18 HG11 VAL 3 HG11 VAL 3 -12.952 20.084 -0.824 19 HG12 VAL 3 HG12 VAL 3 -11.585 20.569 -1.841 20 HG13 VAL 3 HG13 VAL 3 -13.110 21.480 -1.906 21 HG21 VAL 3 HG21 VAL 3 -14.990 19.108 -1.834 22 HG22 VAL 3 HG22 VAL 3 -15.146 20.450 -2.982 23 HG23 VAL 3 HG23 VAL 3 -15.080 18.772 -3.567 24 H SER 4 H SER 4 -11.524 17.703 -4.521 25 HA SER 4 HA SER 4 -13.351 16.565 -6.569 26 HB2 SER 4 HB2 SER 4 -10.318 16.646 -6.878 27 HB3 SER 4 HB3 SER 4 -11.457 15.837 -7.962 28 HG SER 4 HG SER 4 -12.371 17.927 -8.405 29 H VAL 5 H VAL 5 -12.963 14.250 -6.914 30 HA VAL 5 HA VAL 5 -11.600 12.747 -4.744 31 HB VAL 5 HB VAL 5 -13.552 11.266 -4.468 32 HG11 VAL 5 HG11 VAL 5 -14.251 14.141 -3.777 33 HG12 VAL 5 HG12 VAL 5 -14.848 12.666 -2.994 34 HG13 VAL 5 HG13 VAL 5 -13.138 13.103 -2.859 35 HG21 VAL 5 HG21 VAL 5 -15.796 11.940 -5.161 36 HG22 VAL 5 HG22 VAL 5 -15.152 13.360 -6.005 37 HG23 VAL 5 HG23 VAL 5 -14.769 11.721 -6.581 38 H THR 6 H THR 6 -11.483 10.379 -5.249 39 HA THR 6 HA THR 6 -10.381 9.953 -7.828 40 HB THR 6 HB THR 6 -10.479 7.486 -7.138 41 HG1 THR 6 HG1 THR 6 -12.188 7.712 -5.626 42 HG21 THR 6 HG21 THR 6 -9.145 9.480 -5.253 43 HG22 THR 6 HG22 THR 6 -8.712 7.769 -5.455 44 HG23 THR 6 HG23 THR 6 -8.487 8.900 -6.800 45 HA PRO 7 HA PRO 7 -14.260 9.059 -9.966 46 HB2 PRO 7 HB2 PRO 7 -13.332 8.662 -12.492 47 HB3 PRO 7 HB3 PRO 7 -13.283 10.269 -11.707 48 HG2 PRO 7 HG2 PRO 7 -11.044 8.222 -11.893 49 HG3 PRO 7 HG3 PRO 7 -10.983 9.967 -12.305 50 HD2 PRO 7 HD2 PRO 7 -10.172 8.995 -9.876 51 HD3 PRO 7 HD3 PRO 7 -10.953 10.598 -10.043 52 H ILE 8 H ILE 8 -15.237 7.322 -11.240 53 HA ILE 8 HA ILE 8 -13.996 4.613 -10.907 54 HB ILE 8 HB ILE 8 -16.183 3.688 -10.379 55 HG12 ILE 8 HG12 ILE 8 -17.230 6.550 -10.162 56 HG13 ILE 8 HG13 ILE 8 -17.566 5.474 -11.519 57 HG21 ILE 8 HG21 ILE 8 -15.483 5.931 -8.441 58 HG22 ILE 8 HG22 ILE 8 -16.269 4.383 -8.069 59 HG23 ILE 8 HG23 ILE 8 -14.586 4.406 -8.596 60 HD11 ILE 8 HD11 ILE 8 -18.640 3.849 -9.960 61 HD12 ILE 8 HD12 ILE 8 -18.418 5.020 -8.636 62 HD13 ILE 8 HD13 ILE 8 -19.446 5.428 -10.017 63 H ARG 9 H ARG 9 -15.002 6.769 -13.189 64 HA ARG 9 HA ARG 9 -16.624 5.469 -15.036 65 HB2 ARG 9 HB2 ARG 9 -15.654 7.847 -15.026 66 HB3 ARG 9 HB3 ARG 9 -14.200 7.166 -15.762 67 HG2 ARG 9 HG2 ARG 9 -15.680 6.329 -17.673 68 HG3 ARG 9 HG3 ARG 9 -17.032 7.171 -16.893 69 HD2 ARG 9 HD2 ARG 9 -15.414 9.262 -16.953 70 HD3 ARG 9 HD3 ARG 9 -14.504 8.323 -18.128 71 HE ARG 9 HE ARG 9 -16.178 8.684 -19.716 72 HH11 ARG 9 HH11 ARG 9 -19.060 10.571 -19.410 73 HH12 ARG 9 HH12 ARG 9 -18.037 9.714 -20.547 74 HH21 ARG 9 HH21 ARG 9 -18.795 10.556 -17.370 75 HH22 ARG 9 HH22 ARG 9 -17.428 9.768 -16.597 76 H ASP 10 H ASP 10 -13.183 4.958 -14.562 77 HA ASP 10 HA ASP 10 -12.632 3.382 -16.882 78 HB2 ASP 10 HB2 ASP 10 -11.232 3.538 -14.184 79 HB3 ASP 10 HB3 ASP 10 -10.564 2.783 -15.628 80 H THR 11 H THR 11 -14.251 2.418 -13.922 81 HA THR 11 HA THR 11 -14.091 -0.434 -14.805 82 HB THR 11 HB THR 11 -13.964 -1.195 -12.489 83 HG1 THR 11 HG1 THR 11 -13.389 0.327 -10.893 84 HG21 THR 11 HG21 THR 11 -11.639 0.659 -13.140 85 HG22 THR 11 HG22 THR 11 -11.624 -0.753 -12.058 86 HG23 THR 11 HG23 THR 11 -11.876 -0.976 -13.794 87 H LYS 12 H LYS 12 -16.190 2.090 -13.852 88 HA LYS 12 HA LYS 12 -18.290 0.793 -12.552 89 HB2 LYS 12 HB2 LYS 12 -18.027 3.218 -12.977 90 HB3 LYS 12 HB3 LYS 12 -18.458 2.972 -14.670 91 HG2 LYS 12 HG2 LYS 12 -20.718 2.228 -13.986 92 HG3 LYS 12 HG3 LYS 12 -20.247 2.342 -12.277 93 HD2 LYS 12 HD2 LYS 12 -19.860 4.796 -12.573 94 HD3 LYS 12 HD3 LYS 12 -20.382 4.657 -14.265 95 HE2 LYS 12 HE2 LYS 12 -22.583 3.763 -13.481 96 HE3 LYS 12 HE3 LYS 12 -22.056 3.983 -11.806 97 HZ1 LYS 12 HZ1 LYS 12 -22.403 6.154 -13.816 98 HZ2 LYS 12 HZ2 LYS 12 -23.363 5.866 -12.522 99 HZ3 LYS 12 HZ3 LYS 12 -21.831 6.392 -12.297 100 H TRP 13 H TRP 13 -17.455 0.425 -15.932 101 HA TRP 13 HA TRP 13 -19.923 -1.135 -16.545 102 HB2 TRP 13 HB2 TRP 13 -19.617 -0.596 -18.666 103 HB3 TRP 13 HB3 TRP 13 -18.760 0.755 -17.987 104 HD1 TRP 13 HD1 TRP 13 -18.284 -2.465 -19.900 105 HE1 TRP 13 HE1 TRP 13 -16.114 -2.368 -21.257 106 HE3 TRP 13 HE3 TRP 13 -16.186 1.661 -17.739 107 HZ2 TRP 13 HZ2 TRP 13 -13.789 -0.665 -21.436 108 HZ3 TRP 13 HZ3 TRP 13 -14.032 2.538 -18.565 109 HH2 TRP 13 HH2 TRP 13 -12.809 1.389 -20.399 110 H LEU 14 H LEU 14 -16.876 -1.804 -15.307 111 HA LEU 14 HA LEU 14 -16.498 -4.406 -16.670 112 HB2 LEU 14 HB2 LEU 14 -14.753 -2.767 -14.788 113 HB3 LEU 14 HB3 LEU 14 -14.274 -4.276 -15.492 114 HG LEU 14 HG LEU 14 -14.845 -1.664 -16.960 115 HD11 LEU 14 HD11 LEU 14 -12.513 -1.701 -17.516 116 HD12 LEU 14 HD12 LEU 14 -12.643 -1.919 -15.765 117 HD13 LEU 14 HD13 LEU 14 -12.292 -3.315 -16.794 118 HD21 LEU 14 HD21 LEU 14 -14.071 -4.355 -18.178 119 HD22 LEU 14 HD22 LEU 14 -15.580 -3.448 -18.453 120 HD23 LEU 14 HD23 LEU 14 -14.046 -2.796 -19.019 121 H THR 15 H THR 15 -17.874 -3.342 -13.695 122 HA THR 15 HA THR 15 -17.071 -5.652 -12.142 123 HB THR 15 HB THR 15 -19.367 -3.827 -11.468 124 HG1 THR 15 HG1 THR 15 -17.848 -2.536 -10.452 125 HG21 THR 15 HG21 THR 15 -17.412 -5.452 -9.784 126 HG22 THR 15 HG22 THR 15 -18.577 -4.281 -9.133 127 HG23 THR 15 HG23 THR 15 -19.158 -5.722 -9.972 128 H LEU 16 H LEU 16 -17.589 -7.229 -13.683 129 HA LEU 16 HA LEU 16 -20.256 -7.903 -14.565 130 HB2 LEU 16 HB2 LEU 16 -17.938 -8.200 -15.653 131 HB3 LEU 16 HB3 LEU 16 -17.707 -9.567 -14.584 132 HG LEU 16 HG LEU 16 -19.486 -10.803 -15.679 133 HD11 LEU 16 HD11 LEU 16 -20.045 -8.249 -17.256 134 HD12 LEU 16 HD12 LEU 16 -20.698 -9.851 -17.658 135 HD13 LEU 16 HD13 LEU 16 -21.166 -9.081 -16.149 136 HD21 LEU 16 HD21 LEU 16 -18.606 -10.770 -18.016 137 HD22 LEU 16 HD22 LEU 16 -17.728 -9.290 -17.676 138 HD23 LEU 16 HD23 LEU 16 -17.297 -10.783 -16.822 139 H GLU 17 H GLU 17 -21.616 -9.620 -13.859 140 HA GLU 17 HA GLU 17 -21.410 -10.464 -11.090 141 HB2 GLU 17 HB2 GLU 17 -23.142 -11.466 -13.378 142 HB3 GLU 17 HB3 GLU 17 -23.274 -12.008 -11.697 143 HG2 GLU 17 HG2 GLU 17 -23.792 -9.698 -10.995 144 HG3 GLU 17 HG3 GLU 17 -23.702 -9.177 -12.687 145 H VAL 18 H VAL 18 -21.011 -12.503 -10.201 146 HA VAL 18 HA VAL 18 -19.241 -14.289 -11.764 147 HB VAL 18 HB VAL 18 -18.921 -15.552 -9.754 148 HG11 VAL 18 HG11 VAL 18 -17.636 -13.456 -10.064 149 HG12 VAL 18 HG12 VAL 18 -18.807 -12.599 -9.025 150 HG13 VAL 18 HG13 VAL 18 -17.824 -13.920 -8.365 151 HG21 VAL 18 HG21 VAL 18 -19.911 -14.874 -7.569 152 HG22 VAL 18 HG22 VAL 18 -21.021 -13.795 -8.430 153 HG23 VAL 18 HG23 VAL 18 -21.106 -15.538 -8.696 154 H CYS 19 H CYS 19 -19.708 -16.508 -12.210 155 HA CYS 19 HA CYS 19 -22.437 -17.047 -12.892 156 HB2 CYS 19 HB2 CYS 19 -20.561 -17.832 -14.150 157 HB3 CYS 19 HB3 CYS 19 -19.979 -18.822 -12.827 158 H ARG 20 H ARG 20 -24.005 -17.796 -11.793 159 HA ARG 20 HA ARG 20 -23.908 -18.244 -8.971 160 HB2 ARG 20 HB2 ARG 20 -26.125 -18.900 -10.954 161 HB3 ARG 20 HB3 ARG 20 -26.271 -18.877 -9.205 162 HG2 ARG 20 HG2 ARG 20 -27.186 -16.826 -9.844 163 HG3 ARG 20 HG3 ARG 20 -25.574 -16.403 -9.263 164 HD2 ARG 20 HD2 ARG 20 -24.773 -16.113 -11.554 165 HD3 ARG 20 HD3 ARG 20 -26.257 -16.788 -12.221 166 HE ARG 20 HE ARG 20 -25.768 -14.068 -11.234 167 HH11 ARG 20 HH11 ARG 20 -29.471 -15.009 -12.361 168 HH12 ARG 20 HH12 ARG 20 -28.351 -16.304 -12.043 169 HH21 ARG 20 HH21 ARG 20 -27.194 -12.500 -11.698 170 HH22 ARG 20 HH22 ARG 20 -28.841 -12.903 -12.147 171 H GLU 21 H GLU 21 -23.713 -20.541 -11.629 172 HA GLU 21 HA GLU 21 -24.197 -22.849 -9.868 173 HB2 GLU 21 HB2 GLU 21 -23.178 -22.693 -12.727 174 HB3 GLU 21 HB3 GLU 21 -23.674 -24.162 -11.888 175 HG2 GLU 21 HG2 GLU 21 -25.504 -21.823 -12.605 176 HG3 GLU 21 HG3 GLU 21 -25.386 -23.342 -13.473 177 H PHE 22 H PHE 22 -21.450 -21.189 -11.441 178 HA PHE 22 HA PHE 22 -19.340 -22.928 -10.612 179 HB2 PHE 22 HB2 PHE 22 -19.235 -21.187 -12.362 180 HB3 PHE 22 HB3 PHE 22 -19.410 -19.950 -11.143 181 HD1 PHE 22 HD1 PHE 22 -17.157 -22.625 -12.407 182 HD2 PHE 22 HD2 PHE 22 -17.497 -19.032 -10.056 183 HE1 PHE 22 HE1 PHE 22 -14.676 -22.492 -12.251 184 HE2 PHE 22 HE2 PHE 22 -15.016 -18.901 -9.901 185 HZ PHE 22 HZ PHE 22 -13.608 -20.618 -11.002 186 H GLN 23 H GLN 23 -21.097 -20.326 -8.941 187 HA GLN 23 HA GLN 23 -19.349 -20.035 -6.692 188 HB2 GLN 23 HB2 GLN 23 -22.303 -19.512 -7.145 189 HB3 GLN 23 HB3 GLN 23 -21.602 -19.287 -5.550 190 HG2 GLN 23 HG2 GLN 23 -20.510 -17.895 -8.021 191 HG3 GLN 23 HG3 GLN 23 -21.762 -17.215 -6.985 192 HE21 GLN 23 HE21 GLN 23 -21.159 -16.574 -4.766 193 HE22 GLN 23 HE22 GLN 23 -19.461 -16.365 -4.367 194 H ARG 24 H ARG 24 -21.364 -22.684 -7.528 195 HA ARG 24 HA ARG 24 -20.990 -23.947 -4.833 196 HB2 ARG 24 HB2 ARG 24 -23.365 -24.264 -6.730 197 HB3 ARG 24 HB3 ARG 24 -23.069 -25.229 -5.290 198 HG2 ARG 24 HG2 ARG 24 -24.537 -23.747 -4.420 199 HG3 ARG 24 HG3 ARG 24 -23.026 -22.928 -4.022 200 HD2 ARG 24 HD2 ARG 24 -23.341 -21.501 -6.081 201 HD3 ARG 24 HD3 ARG 24 -24.873 -22.337 -6.382 202 HE ARG 24 HE ARG 24 -24.929 -21.327 -3.729 203 HH11 ARG 24 HH11 ARG 24 -24.949 -20.030 -6.981 204 HH12 ARG 24 HH12 ARG 24 -25.797 -18.578 -6.485 205 HH21 ARG 24 HH21 ARG 24 -25.997 -19.462 -3.171 206 HH22 ARG 24 HH22 ARG 24 -26.364 -18.271 -4.382 207 H GLY 25 H GLY 25 -19.484 -23.912 -7.555 208 HA2 GLY 25 HA2 GLY 25 -18.198 -25.350 -8.775 209 HA3 GLY 25 HA3 GLY 25 -18.305 -26.462 -7.404 210 H THR 26 H THR 26 -21.029 -25.380 -9.455 211 HA THR 26 HA THR 26 -21.267 -28.144 -10.573 212 HB THR 26 HB THR 26 -22.663 -27.835 -8.576 213 HG1 THR 26 HG1 THR 26 -23.994 -28.228 -11.029 214 HG21 THR 26 HG21 THR 26 -23.337 -25.507 -8.756 215 HG22 THR 26 HG22 THR 26 -24.245 -25.845 -10.247 216 HG23 THR 26 HG23 THR 26 -24.753 -26.561 -8.703 217 H CYS 27 H CYS 27 -20.415 -25.405 -11.757 218 HA CYS 27 HA CYS 27 -22.343 -24.911 -13.854 219 HB2 CYS 27 HB2 CYS 27 -20.616 -23.268 -12.991 220 HB3 CYS 27 HB3 CYS 27 -19.387 -24.181 -13.874 221 H SER 28 H SER 28 -21.447 -25.111 -16.225 222 HA SER 28 HA SER 28 -20.337 -27.845 -16.756 223 HB2 SER 28 HB2 SER 28 -22.157 -28.344 -18.306 224 HB3 SER 28 HB3 SER 28 -22.765 -28.055 -16.672 225 HG SER 28 HG SER 28 -24.015 -26.975 -18.267 226 H ARG 29 H ARG 29 -19.701 -24.762 -17.359 227 HA ARG 29 HA ARG 29 -18.684 -25.208 -20.159 228 HB2 ARG 29 HB2 ARG 29 -19.976 -22.784 -18.871 229 HB3 ARG 29 HB3 ARG 29 -19.135 -22.724 -20.407 230 HG2 ARG 29 HG2 ARG 29 -20.736 -24.175 -21.482 231 HG3 ARG 29 HG3 ARG 29 -21.542 -24.544 -19.950 232 HD2 ARG 29 HD2 ARG 29 -21.366 -21.790 -21.213 233 HD3 ARG 29 HD3 ARG 29 -22.780 -22.851 -21.300 234 HE ARG 29 HE ARG 29 -21.790 -21.362 -18.905 235 HH11 ARG 29 HH11 ARG 29 -23.982 -22.528 -16.694 236 HH12 ARG 29 HH12 ARG 29 -22.606 -21.511 -17.051 237 HH21 ARG 29 HH21 ARG 29 -24.817 -23.839 -18.308 238 HH22 ARG 29 HH22 ARG 29 -24.091 -23.840 -19.890 239 HA PRO 30 HA PRO 30 -14.869 -23.560 -18.414 240 HB2 PRO 30 HB2 PRO 30 -13.557 -22.713 -20.637 241 HB3 PRO 30 HB3 PRO 30 -13.851 -24.453 -20.333 242 HG2 PRO 30 HG2 PRO 30 -15.454 -22.571 -22.085 243 HG3 PRO 30 HG3 PRO 30 -14.839 -24.203 -22.497 244 HD2 PRO 30 HD2 PRO 30 -17.406 -23.751 -21.628 245 HD3 PRO 30 HD3 PRO 30 -16.519 -25.252 -21.231 246 H ASP 31 H ASP 31 -13.811 -21.426 -18.153 247 HA ASP 31 HA ASP 31 -15.564 -19.255 -17.765 248 HB2 ASP 31 HB2 ASP 31 -13.586 -17.931 -17.372 249 HB3 ASP 31 HB3 ASP 31 -13.385 -19.524 -16.642 250 H THR 32 H THR 32 -13.843 -20.181 -20.648 251 HA THR 32 HA THR 32 -14.046 -17.708 -22.090 252 HB THR 32 HB THR 32 -13.491 -19.161 -24.087 253 HG1 THR 32 HG1 THR 32 -12.889 -21.281 -23.602 254 HG21 THR 32 HG21 THR 32 -11.204 -19.614 -23.376 255 HG22 THR 32 HG22 THR 32 -11.735 -18.058 -22.716 256 HG23 THR 32 HG23 THR 32 -11.669 -19.489 -21.665 257 H GLU 33 H GLU 33 -16.404 -20.227 -21.565 258 HA GLU 33 HA GLU 33 -18.056 -19.207 -23.861 259 HB2 GLU 33 HB2 GLU 33 -17.304 -21.859 -23.265 260 HB3 GLU 33 HB3 GLU 33 -18.925 -21.760 -22.649 261 HG2 GLU 33 HG2 GLU 33 -17.996 -21.150 -25.480 262 HG3 GLU 33 HG3 GLU 33 -18.917 -22.552 -24.950 263 H CYS 34 H CYS 34 -18.134 -19.865 -20.348 264 HA CYS 34 HA CYS 34 -20.909 -19.839 -20.099 265 HB2 CYS 34 HB2 CYS 34 -19.070 -20.540 -18.425 266 HB3 CYS 34 HB3 CYS 34 -19.105 -18.849 -17.916 267 H LYS 35 H LYS 35 -22.261 -18.410 -18.970 268 HA LYS 35 HA LYS 35 -22.386 -15.817 -20.372 269 HB2 LYS 35 HB2 LYS 35 -24.527 -17.143 -18.678 270 HB3 LYS 35 HB3 LYS 35 -24.744 -15.888 -19.896 271 HG2 LYS 35 HG2 LYS 35 -23.944 -18.793 -20.384 272 HG3 LYS 35 HG3 LYS 35 -25.490 -18.053 -20.751 273 HD2 LYS 35 HD2 LYS 35 -24.552 -16.688 -22.496 274 HD3 LYS 35 HD3 LYS 35 -22.896 -17.132 -22.084 275 HE2 LYS 35 HE2 LYS 35 -24.960 -19.163 -23.030 276 HE3 LYS 35 HE3 LYS 35 -23.896 -18.271 -24.116 277 HZ1 LYS 35 HZ1 LYS 35 -23.042 -20.186 -22.035 278 HZ2 LYS 35 HZ2 LYS 35 -22.767 -20.300 -23.650 279 HZ3 LYS 35 HZ3 LYS 35 -21.982 -19.189 -22.794 280 H PHE 36 H PHE 36 -21.113 -16.573 -17.490 281 HA PHE 36 HA PHE 36 -21.267 -13.792 -16.510 282 HB2 PHE 36 HB2 PHE 36 -21.811 -16.193 -14.765 283 HB3 PHE 36 HB3 PHE 36 -21.666 -14.535 -14.193 284 HD1 PHE 36 HD1 PHE 36 -23.378 -12.807 -15.222 285 HD2 PHE 36 HD2 PHE 36 -23.955 -17.076 -15.098 286 HE1 PHE 36 HE1 PHE 36 -25.841 -12.476 -15.319 287 HE2 PHE 36 HE2 PHE 36 -26.415 -16.746 -15.215 288 HZ PHE 36 HZ PHE 36 -27.362 -14.446 -15.318 289 H ALA 37 H ALA 37 -19.501 -13.532 -14.674 290 HA ALA 37 HA ALA 37 -17.040 -14.517 -15.824 291 HB1 ALA 37 HB1 ALA 37 -17.365 -12.231 -14.953 292 HB2 ALA 37 HB2 ALA 37 -17.617 -12.899 -13.328 293 HB3 ALA 37 HB3 ALA 37 -16.034 -13.071 -14.137 294 H HIS 38 H HIS 38 -15.379 -15.711 -14.842 295 HA HIS 38 HA HIS 38 -16.133 -17.551 -12.610 296 HB2 HIS 38 HB2 HIS 38 -14.805 -18.283 -15.243 297 HB3 HIS 38 HB3 HIS 38 -14.872 -19.327 -13.832 298 HD1 HIS 38 HD1 HIS 38 -17.753 -17.339 -15.614 299 HD2 HIS 38 HD2 HIS 38 -16.647 -21.160 -14.267 300 HE1 HIS 38 HE1 HIS 38 -19.785 -18.733 -15.796 301 HA PRO 39 HA PRO 39 -12.249 -15.268 -11.542 302 HB2 PRO 39 HB2 PRO 39 -12.594 -15.386 -8.779 303 HB3 PRO 39 HB3 PRO 39 -13.251 -14.124 -9.847 304 HG2 PRO 39 HG2 PRO 39 -14.615 -16.608 -8.791 305 HG3 PRO 39 HG3 PRO 39 -15.261 -14.939 -8.850 306 HD2 PRO 39 HD2 PRO 39 -15.937 -16.775 -10.702 307 HD3 PRO 39 HD3 PRO 39 -15.647 -15.078 -11.184 308 H SER 40 H SER 40 -10.270 -15.869 -10.736 309 HA SER 40 HA SER 40 -9.761 -18.746 -10.246 310 HB2 SER 40 HB2 SER 40 -7.467 -18.221 -10.613 311 HB3 SER 40 HB3 SER 40 -8.374 -17.329 -11.855 312 HG SER 40 HG SER 40 -6.799 -16.018 -10.846 313 H LYS 41 H LYS 41 -7.715 -18.906 -8.679 314 HA LYS 41 HA LYS 41 -8.510 -18.494 -5.959 315 HB2 LYS 41 HB2 LYS 41 -5.870 -19.160 -7.321 316 HB3 LYS 41 HB3 LYS 41 -6.062 -19.112 -5.556 317 HG2 LYS 41 HG2 LYS 41 -7.824 -20.855 -5.681 318 HG3 LYS 41 HG3 LYS 41 -7.665 -20.902 -7.439 319 HD2 LYS 41 HD2 LYS 41 -6.479 -22.773 -6.525 320 HD3 LYS 41 HD3 LYS 41 -5.299 -21.642 -7.205 321 HE2 LYS 41 HE2 LYS 41 -4.818 -20.772 -4.926 322 HE3 LYS 41 HE3 LYS 41 -6.039 -21.856 -4.247 323 HZ1 LYS 41 HZ1 LYS 41 -3.808 -22.791 -4.040 324 HZ2 LYS 41 HZ2 LYS 41 -4.699 -23.740 -5.021 325 HZ3 LYS 41 HZ3 LYS 41 -3.572 -22.739 -5.652 326 H SER 42 H SER 42 -6.893 -16.309 -8.160 327 HA SER 42 HA SER 42 -6.101 -14.507 -5.898 328 HB2 SER 42 HB2 SER 42 -5.126 -14.486 -8.767 329 HB3 SER 42 HB3 SER 42 -4.581 -13.425 -7.451 330 HG SER 42 HG SER 42 -3.180 -15.235 -7.752 331 H CYS 43 H CYS 43 -8.448 -14.703 -8.476 332 HA CYS 43 HA CYS 43 -8.733 -11.909 -8.994 333 HB2 CYS 43 HB2 CYS 43 -10.677 -14.221 -9.246 334 HB3 CYS 43 HB3 CYS 43 -10.994 -12.581 -9.835 335 HG CYS 43 HG CYS 43 -8.375 -14.494 -10.607 336 H GLN 44 H GLN 44 -9.864 -10.302 -8.048 337 HA GLN 44 HA GLN 44 -10.806 -10.654 -5.297 338 HB2 GLN 44 HB2 GLN 44 -9.390 -8.782 -6.050 339 HB3 GLN 44 HB3 GLN 44 -10.697 -8.192 -7.088 340 HG2 GLN 44 HG2 GLN 44 -12.091 -7.718 -5.156 341 HG3 GLN 44 HG3 GLN 44 -10.960 -8.536 -4.068 342 HE21 GLN 44 HE21 GLN 44 -11.971 -5.486 -4.652 343 HE22 GLN 44 HE22 GLN 44 -10.432 -4.654 -4.444 344 H VAL 45 H VAL 45 -12.824 -10.959 -4.697 345 HA VAL 45 HA VAL 45 -15.121 -10.552 -6.588 346 HB VAL 45 HB VAL 45 -14.968 -12.581 -4.351 347 HG11 VAL 45 HG11 VAL 45 -16.874 -12.319 -6.706 348 HG12 VAL 45 HG12 VAL 45 -16.887 -13.631 -5.512 349 HG13 VAL 45 HG13 VAL 45 -17.257 -11.983 -5.006 350 HG21 VAL 45 HG21 VAL 45 -14.483 -13.177 -7.284 351 HG22 VAL 45 HG22 VAL 45 -13.284 -13.289 -5.982 352 HG23 VAL 45 HG23 VAL 45 -14.677 -14.368 -5.993 353 H GLU 46 H GLU 46 -16.806 -9.368 -5.849 354 HA GLU 46 HA GLU 46 -17.109 -8.722 -2.954 355 HB2 GLU 46 HB2 GLU 46 -16.757 -6.681 -5.192 356 HB3 GLU 46 HB3 GLU 46 -17.400 -6.305 -3.589 357 HG2 GLU 46 HG2 GLU 46 -15.288 -7.005 -2.533 358 HG3 GLU 46 HG3 GLU 46 -14.625 -7.459 -4.106 359 H ASN 47 H ASN 47 -19.167 -8.754 -2.364 360 HA ASN 47 HA ASN 47 -21.372 -9.212 -2.425 361 HB2 ASN 47 HB2 ASN 47 -20.978 -6.683 -2.465 362 HB3 ASN 47 HB3 ASN 47 -21.425 -6.744 -4.176 363 HD21 ASN 47 HD21 ASN 47 -23.299 -5.431 -3.883 364 HD22 ASN 47 HD22 ASN 47 -24.700 -6.029 -3.004 365 H GLY 48 H GLY 48 -20.260 -10.867 -4.441 366 HA2 GLY 48 HA2 GLY 48 -21.315 -12.438 -5.844 367 HA3 GLY 48 HA3 GLY 48 -22.704 -11.362 -6.021 368 H ARG 49 H ARG 49 -19.689 -9.832 -6.623 369 HA ARG 49 HA ARG 49 -19.726 -10.316 -9.559 370 HB2 ARG 49 HB2 ARG 49 -19.607 -7.535 -8.304 371 HB3 ARG 49 HB3 ARG 49 -19.601 -7.962 -10.013 372 HG2 ARG 49 HG2 ARG 49 -21.933 -8.970 -9.640 373 HG3 ARG 49 HG3 ARG 49 -21.921 -8.169 -8.057 374 HD2 ARG 49 HD2 ARG 49 -21.673 -5.988 -9.115 375 HD3 ARG 49 HD3 ARG 49 -21.336 -6.759 -10.670 376 HE ARG 49 HE ARG 49 -24.008 -7.018 -9.369 377 HH11 ARG 49 HH11 ARG 49 -25.574 -6.264 -12.333 378 HH12 ARG 49 HH12 ARG 49 -25.776 -6.730 -10.672 379 HH21 ARG 49 HH21 ARG 49 -23.592 -5.890 -13.180 380 HH22 ARG 49 HH22 ARG 49 -22.143 -6.099 -12.234 381 H VAL 50 H VAL 50 -17.898 -9.337 -10.616 382 HA VAL 50 HA VAL 50 -15.351 -9.174 -9.060 383 HB VAL 50 HB VAL 50 -14.320 -10.556 -10.907 384 HG11 VAL 50 HG11 VAL 50 -14.502 -11.477 -8.731 385 HG12 VAL 50 HG12 VAL 50 -16.215 -11.877 -8.953 386 HG13 VAL 50 HG13 VAL 50 -14.976 -12.736 -9.878 387 HG21 VAL 50 HG21 VAL 50 -16.148 -10.650 -12.562 388 HG22 VAL 50 HG22 VAL 50 -15.708 -12.272 -12.000 389 HG23 VAL 50 HG23 VAL 50 -17.180 -11.510 -11.405 390 H ILE 51 H ILE 51 -13.786 -7.818 -10.137 391 HA ILE 51 HA ILE 51 -14.969 -6.092 -12.267 392 HB ILE 51 HB ILE 51 -12.490 -5.625 -10.582 393 HG12 ILE 51 HG12 ILE 51 -15.353 -4.676 -10.304 394 HG13 ILE 51 HG13 ILE 51 -14.439 -5.677 -9.168 395 HG21 ILE 51 HG21 ILE 51 -12.514 -4.429 -12.805 396 HG22 ILE 51 HG22 ILE 51 -14.099 -3.742 -12.388 397 HG23 ILE 51 HG23 ILE 51 -12.642 -3.318 -11.460 398 HD11 ILE 51 HD11 ILE 51 -12.937 -3.735 -8.714 399 HD12 ILE 51 HD12 ILE 51 -14.014 -2.727 -9.721 400 HD13 ILE 51 HD13 ILE 51 -14.640 -3.490 -8.257 401 H ALA 52 H ALA 52 -14.350 -6.233 -14.335 402 HA ALA 52 HA ALA 52 -12.373 -8.169 -15.181 403 HB1 ALA 52 HB1 ALA 52 -12.996 -7.436 -17.441 404 HB2 ALA 52 HB2 ALA 52 -14.427 -7.783 -16.452 405 HB3 ALA 52 HB3 ALA 52 -13.946 -6.105 -16.760 406 H CYS 53 H CYS 53 -10.463 -7.790 -16.389 407 HA CYS 53 HA CYS 53 -8.837 -5.712 -15.263 408 HB2 CYS 53 HB2 CYS 53 -8.141 -8.057 -15.693 409 HB3 CYS 53 HB3 CYS 53 -8.115 -7.710 -17.426 410 H PHE 54 H PHE 54 -9.294 -3.722 -15.836 411 HA PHE 54 HA PHE 54 -9.846 -2.714 -18.472 412 HB2 PHE 54 HB2 PHE 54 -9.183 -0.505 -17.487 413 HB3 PHE 54 HB3 PHE 54 -10.432 -1.339 -16.596 414 HD1 PHE 54 HD1 PHE 54 -6.939 -0.175 -16.495 415 HD2 PHE 54 HD2 PHE 54 -10.027 -2.318 -14.378 416 HE1 PHE 54 HE1 PHE 54 -5.579 -0.091 -14.436 417 HE2 PHE 54 HE2 PHE 54 -8.700 -2.188 -12.301 418 HZ PHE 54 HZ PHE 54 -6.459 -1.078 -12.313 419 H ASP 55 H ASP 55 -6.807 -3.245 -16.666 420 HA ASP 55 HA ASP 55 -5.050 -1.962 -18.532 421 HB2 ASP 55 HB2 ASP 55 -4.592 -4.239 -16.573 422 HB3 ASP 55 HB3 ASP 55 -3.324 -3.516 -17.549 423 H SER 56 H SER 56 -6.278 -5.379 -18.380 424 HA SER 56 HA SER 56 -4.776 -6.273 -20.651 425 HB2 SER 56 HB2 SER 56 -5.753 -7.809 -19.056 426 HB3 SER 56 HB3 SER 56 -7.392 -7.300 -19.494 427 HG SER 56 HG SER 56 -6.576 -9.264 -20.541 428 H LEU 57 H LEU 57 -8.057 -4.824 -20.417 429 HA LEU 57 HA LEU 57 -8.692 -5.017 -23.221 430 HB2 LEU 57 HB2 LEU 57 -9.670 -3.294 -20.923 431 HB3 LEU 57 HB3 LEU 57 -10.263 -3.017 -22.554 432 HG LEU 57 HG LEU 57 -10.429 -5.748 -21.242 433 HD11 LEU 57 HD11 LEU 57 -12.787 -5.181 -20.708 434 HD12 LEU 57 HD12 LEU 57 -11.651 -4.139 -19.838 435 HD13 LEU 57 HD13 LEU 57 -12.509 -3.516 -21.267 436 HD21 LEU 57 HD21 LEU 57 -11.958 -4.479 -23.556 437 HD22 LEU 57 HD22 LEU 57 -10.717 -5.741 -23.696 438 HD23 LEU 57 HD23 LEU 57 -12.247 -6.101 -22.892 439 H LYS 58 H LYS 58 -7.059 -2.445 -21.357 440 HA LYS 58 HA LYS 58 -6.790 -0.684 -23.696 441 HB2 LYS 58 HB2 LYS 58 -5.666 -0.561 -20.865 442 HB3 LYS 58 HB3 LYS 58 -5.440 0.707 -22.056 443 HG2 LYS 58 HG2 LYS 58 -8.124 -0.214 -20.946 444 HG3 LYS 58 HG3 LYS 58 -7.243 1.224 -20.455 445 HD2 LYS 58 HD2 LYS 58 -8.503 0.705 -23.182 446 HD3 LYS 58 HD3 LYS 58 -9.105 1.779 -21.917 447 HE2 LYS 58 HE2 LYS 58 -7.033 3.159 -22.106 448 HE3 LYS 58 HE3 LYS 58 -6.457 2.107 -23.406 449 HZ1 LYS 58 HZ1 LYS 58 -8.939 3.739 -23.511 450 HZ2 LYS 58 HZ2 LYS 58 -7.550 4.083 -24.292 451 HZ3 LYS 58 HZ3 LYS 58 -8.410 2.763 -24.713 452 H GLY 59 H GLY 59 -5.026 -3.387 -22.712 453 HA2 GLY 59 HA2 GLY 59 -3.155 -4.343 -23.716 454 HA3 GLY 59 HA3 GLY 59 -2.927 -2.895 -24.702 455 H ARG 60 H ARG 60 -3.115 -3.077 -21.174 456 HA ARG 60 HA ARG 60 -0.305 -2.067 -20.861 457 HB2 ARG 60 HB2 ARG 60 -2.148 -0.442 -20.443 458 HB3 ARG 60 HB3 ARG 60 -2.803 -1.498 -19.188 459 HG2 ARG 60 HG2 ARG 60 -0.849 -1.172 -17.792 460 HG3 ARG 60 HG3 ARG 60 0.001 -0.307 -19.092 461 HD2 ARG 60 HD2 ARG 60 -1.649 1.496 -19.022 462 HD3 ARG 60 HD3 ARG 60 -2.610 0.640 -17.823 463 HE ARG 60 HE ARG 60 -0.042 2.051 -17.410 464 HH11 ARG 60 HH11 ARG 60 -0.211 1.800 -13.994 465 HH12 ARG 60 HH12 ARG 60 0.610 2.508 -15.353 466 HH21 ARG 60 HH21 ARG 60 -1.898 0.436 -14.266 467 HH22 ARG 60 HH22 ARG 60 -2.493 0.014 -15.850 468 H CYS 61 H CYS 61 -2.566 -4.551 -19.795 469 HA CYS 61 HA CYS 61 -1.248 -5.167 -17.352 470 HB2 CYS 61 HB2 CYS 61 -3.610 -5.784 -18.082 471 HB3 CYS 61 HB3 CYS 61 -2.910 -7.122 -18.983 472 H SER 62 H SER 62 0.231 -6.580 -16.777 473 HA SER 62 HA SER 62 1.556 -8.480 -18.583 474 HB2 SER 62 HB2 SER 62 2.628 -6.178 -18.940 475 HB3 SER 62 HB3 SER 62 3.224 -6.287 -17.278 476 HG SER 62 HG SER 62 4.288 -8.245 -17.904 477 H ARG 63 H ARG 63 0.083 -8.179 -15.857 478 HA ARG 63 HA ARG 63 1.933 -9.022 -13.775 479 HB2 ARG 63 HB2 ARG 63 -1.105 -8.912 -14.033 480 HB3 ARG 63 HB3 ARG 63 -0.287 -9.415 -12.553 481 HG2 ARG 63 HG2 ARG 63 0.824 -7.242 -12.364 482 HG3 ARG 63 HG3 ARG 63 0.059 -6.678 -13.857 483 HD2 ARG 63 HD2 ARG 63 -1.504 -7.640 -11.423 484 HD3 ARG 63 HD3 ARG 63 -1.043 -5.958 -11.662 485 HE ARG 63 HE ARG 63 -3.013 -7.510 -13.322 486 HH11 ARG 63 HH11 ARG 63 -4.342 -6.504 -14.603 487 HH12 ARG 63 HH12 ARG 63 -4.348 -4.758 -14.691 488 HH21 ARG 63 HH21 ARG 63 -2.931 -3.588 -13.723 489 HH22 ARG 63 HH22 ARG 63 -1.642 -4.282 -12.730 490 H GLU 64 H GLU 64 1.703 -10.936 -12.539 491 HA GLU 64 HA GLU 64 0.922 -13.411 -14.048 492 HB2 GLU 64 HB2 GLU 64 3.273 -13.013 -12.157 493 HB3 GLU 64 HB3 GLU 64 2.781 -14.552 -12.874 494 HG2 GLU 64 HG2 GLU 64 3.154 -13.596 -15.152 495 HG3 GLU 64 HG3 GLU 64 3.760 -12.111 -14.412 496 H ASN 65 H ASN 65 -0.009 -11.524 -11.601 497 HA ASN 65 HA ASN 65 -1.479 -13.646 -10.147 498 HB2 ASN 65 HB2 ASN 65 0.379 -11.542 -8.950 499 HB3 ASN 65 HB3 ASN 65 -0.826 -12.406 -7.994 500 HD21 ASN 65 HD21 ASN 65 2.413 -12.506 -8.941 501 HD22 ASN 65 HD22 ASN 65 2.688 -14.196 -8.549 502 H CYS 66 H CYS 66 -2.190 -11.632 -12.202 503 HA CYS 66 HA CYS 66 -3.323 -9.284 -11.302 504 HB2 CYS 66 HB2 CYS 66 -2.872 -10.205 -13.663 505 HB3 CYS 66 HB3 CYS 66 -4.415 -11.050 -13.528 506 H LYS 67 H LYS 67 -4.981 -8.754 -10.119 507 HA LYS 67 HA LYS 67 -6.780 -10.783 -8.974 508 HB2 LYS 67 HB2 LYS 67 -6.861 -7.803 -8.405 509 HB3 LYS 67 HB3 LYS 67 -7.451 -9.140 -7.416 510 HG2 LYS 67 HG2 LYS 67 -5.007 -9.926 -7.266 511 HG3 LYS 67 HG3 LYS 67 -4.573 -8.339 -7.934 512 HD2 LYS 67 HD2 LYS 67 -6.224 -8.819 -5.411 513 HD3 LYS 67 HD3 LYS 67 -4.494 -8.460 -5.421 514 HE2 LYS 67 HE2 LYS 67 -4.821 -6.254 -6.278 515 HE3 LYS 67 HE3 LYS 67 -6.498 -6.578 -6.730 516 HZ1 LYS 67 HZ1 LYS 67 -5.603 -6.576 -3.907 517 HZ2 LYS 67 HZ2 LYS 67 -6.245 -5.270 -4.651 518 HZ3 LYS 67 HZ3 LYS 67 -7.154 -6.605 -4.473 519 H TYR 68 H TYR 68 -6.943 -9.155 -11.783 520 HA TYR 68 HA TYR 68 -9.898 -8.680 -11.650 521 HB2 TYR 68 HB2 TYR 68 -7.785 -7.361 -13.372 522 HB3 TYR 68 HB3 TYR 68 -9.513 -7.048 -13.424 523 HD1 TYR 68 HD1 TYR 68 -6.431 -6.636 -11.370 524 HD2 TYR 68 HD2 TYR 68 -10.628 -5.695 -11.745 525 HE1 TYR 68 HE1 TYR 68 -6.203 -4.908 -9.598 526 HE2 TYR 68 HE2 TYR 68 -10.395 -3.967 -9.964 527 HH TYR 68 HH TYR 68 -7.264 -3.299 -8.354 528 H LEU 69 H LEU 69 -11.206 -9.320 -13.312 529 HA LEU 69 HA LEU 69 -10.466 -11.852 -14.505 530 HB2 LEU 69 HB2 LEU 69 -12.939 -10.130 -14.378 531 HB3 LEU 69 HB3 LEU 69 -12.858 -11.334 -15.646 532 HG LEU 69 HG LEU 69 -14.037 -12.050 -13.594 533 HD11 LEU 69 HD11 LEU 69 -13.097 -13.686 -15.197 534 HD12 LEU 69 HD12 LEU 69 -11.589 -13.737 -14.259 535 HD13 LEU 69 HD13 LEU 69 -13.109 -14.296 -13.534 536 HD21 LEU 69 HD21 LEU 69 -12.855 -12.678 -11.596 537 HD22 LEU 69 HD22 LEU 69 -11.292 -12.258 -12.322 538 HD23 LEU 69 HD23 LEU 69 -12.449 -10.983 -11.946 539 H HIS 70 H HIS 70 -9.230 -12.063 -16.275 540 HA HIS 70 HA HIS 70 -8.977 -10.011 -18.315 541 HB2 HIS 70 HB2 HIS 70 -8.053 -12.861 -18.099 542 HB3 HIS 70 HB3 HIS 70 -7.912 -11.963 -19.603 543 HD1 HIS 70 HD1 HIS 70 -5.216 -11.968 -19.430 544 HD2 HIS 70 HD2 HIS 70 -7.317 -9.899 -16.432 545 HE1 HIS 70 HE1 HIS 70 -3.565 -10.330 -18.373 546 HA PRO 71 HA PRO 71 -13.113 -10.750 -19.805 547 HB2 PRO 71 HB2 PRO 71 -11.912 -9.428 -22.245 548 HB3 PRO 71 HB3 PRO 71 -13.549 -9.228 -21.543 549 HG2 PRO 71 HG2 PRO 71 -11.653 -7.466 -20.937 550 HG3 PRO 71 HG3 PRO 71 -12.615 -8.150 -19.592 551 HD2 PRO 71 HD2 PRO 71 -9.850 -8.988 -20.538 552 HD3 PRO 71 HD3 PRO 71 -10.422 -8.666 -18.883 553 HA PRO 72 HA PRO 72 -12.386 -14.458 -22.347 554 HB2 PRO 72 HB2 PRO 72 -14.707 -15.793 -21.762 555 HB3 PRO 72 HB3 PRO 72 -13.288 -15.754 -20.654 556 HG2 PRO 72 HG2 PRO 72 -15.829 -14.157 -20.599 557 HG3 PRO 72 HG3 PRO 72 -14.962 -14.903 -19.223 558 HD2 PRO 72 HD2 PRO 72 -14.748 -12.215 -19.894 559 HD3 PRO 72 HD3 PRO 72 -13.452 -13.134 -19.091 560 HA PRO 73 HA PRO 73 -14.343 -13.393 -26.155 561 HB2 PRO 73 HB2 PRO 73 -15.192 -16.299 -26.284 562 HB3 PRO 73 HB3 PRO 73 -14.541 -15.259 -27.591 563 HG2 PRO 73 HG2 PRO 73 -12.898 -16.946 -26.263 564 HG3 PRO 73 HG3 PRO 73 -12.362 -15.270 -26.613 565 HD2 PRO 73 HD2 PRO 73 -13.374 -16.418 -24.018 566 HD3 PRO 73 HD3 PRO 73 -12.078 -15.215 -24.318 567 H HIS 74 H HIS 74 -16.609 -15.606 -24.353 568 HA HIS 74 HA HIS 74 -18.929 -14.518 -25.657 569 HB2 HIS 74 HB2 HIS 74 -18.571 -16.769 -24.304 570 HB3 HIS 74 HB3 HIS 74 -19.151 -15.822 -22.939 571 HD1 HIS 74 HD1 HIS 74 -20.433 -17.985 -25.608 572 HD2 HIS 74 HD2 HIS 74 -21.692 -14.419 -23.705 573 HE1 HIS 74 HE1 HIS 74 -22.864 -17.591 -26.327 574 HE2 HIS 74 HE2 HIS 74 -23.642 -15.441 -25.125 575 H LEU 75 H LEU 75 -17.191 -13.394 -22.804 576 HA LEU 75 HA LEU 75 -19.403 -11.543 -22.080 577 HB2 LEU 75 HB2 LEU 75 -16.775 -12.107 -20.702 578 HB3 LEU 75 HB3 LEU 75 -18.035 -11.050 -20.100 579 HG LEU 75 HG LEU 75 -18.387 -14.041 -20.590 580 HD11 LEU 75 HD11 LEU 75 -16.877 -13.168 -18.572 581 HD12 LEU 75 HD12 LEU 75 -18.457 -12.909 -17.815 582 HD13 LEU 75 HD13 LEU 75 -18.016 -14.511 -18.407 583 HD21 LEU 75 HD21 LEU 75 -20.533 -12.896 -20.768 584 HD22 LEU 75 HD22 LEU 75 -20.452 -13.738 -19.222 585 HD23 LEU 75 HD23 LEU 75 -20.216 -11.979 -19.276 586 H LYS 76 H LYS 76 -16.337 -11.349 -23.796 587 HA LYS 76 HA LYS 76 -15.774 -8.573 -23.452 588 HB2 LYS 76 HB2 LYS 76 -15.354 -10.500 -25.756 589 HB3 LYS 76 HB3 LYS 76 -14.940 -8.785 -25.910 590 HG2 LYS 76 HG2 LYS 76 -13.398 -8.872 -24.053 591 HG3 LYS 76 HG3 LYS 76 -13.917 -10.509 -23.625 592 HD2 LYS 76 HD2 LYS 76 -11.759 -10.582 -24.737 593 HD3 LYS 76 HD3 LYS 76 -12.980 -11.406 -25.711 594 HE2 LYS 76 HE2 LYS 76 -13.174 -9.396 -27.166 595 HE3 LYS 76 HE3 LYS 76 -12.010 -8.538 -26.148 596 HZ1 LYS 76 HZ1 LYS 76 -10.941 -9.478 -28.113 597 HZ2 LYS 76 HZ2 LYS 76 -10.337 -10.198 -26.780 598 HZ3 LYS 76 HZ3 LYS 76 -11.414 -10.990 -27.723 599 H THR 77 H THR 77 -18.188 -10.107 -25.555 600 HA THR 77 HA THR 77 -19.122 -7.779 -26.916 601 HB THR 77 HB THR 77 -20.705 -10.254 -26.132 602 HG1 THR 77 HG1 THR 77 -19.999 -11.035 -28.133 603 HG21 THR 77 HG21 THR 77 -22.127 -8.468 -27.064 604 HG22 THR 77 HG22 THR 77 -21.012 -8.270 -28.433 605 HG23 THR 77 HG23 THR 77 -21.943 -9.775 -28.239 606 H GLN 78 H GLN 78 -20.135 -9.293 -23.819 607 HA GLN 78 HA GLN 78 -22.321 -7.474 -23.298 608 HB2 GLN 78 HB2 GLN 78 -20.669 -9.205 -21.397 609 HB3 GLN 78 HB3 GLN 78 -22.197 -8.418 -21.004 610 HG2 GLN 78 HG2 GLN 78 -21.757 -10.652 -23.030 611 HG3 GLN 78 HG3 GLN 78 -22.553 -10.791 -21.473 612 HE21 GLN 78 HE21 GLN 78 -23.460 -11.116 -24.471 613 HE22 GLN 78 HE22 GLN 78 -24.968 -10.214 -24.475 614 H LEU 79 H LEU 79 -18.891 -7.555 -22.298 615 HA LEU 79 HA LEU 79 -18.961 -5.221 -20.637 616 HB2 LEU 79 HB2 LEU 79 -16.719 -6.548 -22.211 617 HB3 LEU 79 HB3 LEU 79 -16.457 -5.216 -21.090 618 HG LEU 79 HG LEU 79 -17.721 -7.866 -20.262 619 HD11 LEU 79 HD11 LEU 79 -15.465 -8.233 -21.047 620 HD12 LEU 79 HD12 LEU 79 -14.846 -6.921 -20.010 621 HD13 LEU 79 HD13 LEU 79 -15.530 -8.400 -19.286 622 HD21 LEU 79 HD21 LEU 79 -16.558 -5.545 -18.671 623 HD22 LEU 79 HD22 LEU 79 -18.264 -6.037 -18.710 624 HD23 LEU 79 HD23 LEU 79 -17.055 -7.092 -17.970 625 H GLU 80 H GLU 80 -18.047 -5.471 -24.169 626 HA GLU 80 HA GLU 80 -17.647 -2.636 -24.361 627 HB2 GLU 80 HB2 GLU 80 -17.579 -2.853 -26.696 628 HB3 GLU 80 HB3 GLU 80 -16.718 -4.210 -25.982 629 HG2 GLU 80 HG2 GLU 80 -18.530 -5.724 -26.518 630 HG3 GLU 80 HG3 GLU 80 -19.571 -4.402 -27.039 631 H ILE 81 H ILE 81 -20.628 -4.479 -24.500 632 HA ILE 81 HA ILE 81 -22.279 -2.290 -25.517 633 HB ILE 81 HB ILE 81 -22.880 -4.933 -24.151 634 HG12 ILE 81 HG12 ILE 81 -23.558 -3.831 -26.920 635 HG13 ILE 81 HG13 ILE 81 -22.125 -4.785 -26.571 636 HG21 ILE 81 HG21 ILE 81 -24.921 -2.831 -25.027 637 HG22 ILE 81 HG22 ILE 81 -25.302 -4.497 -24.540 638 HG23 ILE 81 HG23 ILE 81 -24.639 -3.386 -23.359 639 HD11 ILE 81 HD11 ILE 81 -23.609 -6.672 -25.800 640 HD12 ILE 81 HD12 ILE 81 -25.005 -5.736 -26.390 641 HD13 ILE 81 HD13 ILE 81 -23.749 -6.256 -27.520 642 H ASN 82 H ASN 82 -21.421 -3.459 -22.220 643 HA ASN 82 HA ASN 82 -22.976 -1.386 -20.887 644 HB2 ASN 82 HB2 ASN 82 -20.712 -3.182 -19.897 645 HB3 ASN 82 HB3 ASN 82 -21.447 -1.927 -18.922 646 HD21 ASN 82 HD21 ASN 82 -22.269 -4.969 -20.639 647 HD22 ASN 82 HD22 ASN 82 -23.687 -5.255 -19.632 648 H GLY 83 H GLY 83 -19.632 -1.518 -22.126 649 HA2 GLY 83 HA2 GLY 83 -18.630 0.898 -21.029 650 HA3 GLY 83 HA3 GLY 83 -18.104 0.154 -22.548 651 H ARG 84 H ARG 84 -20.364 0.345 -24.134 652 HA ARG 84 HA ARG 84 -20.460 3.092 -25.012 653 HB2 ARG 84 HB2 ARG 84 -22.216 0.669 -25.594 654 HB3 ARG 84 HB3 ARG 84 -22.484 2.245 -26.344 655 HG2 ARG 84 HG2 ARG 84 -20.221 2.217 -27.326 656 HG3 ARG 84 HG3 ARG 84 -19.912 0.635 -26.589 657 HD2 ARG 84 HD2 ARG 84 -21.965 -0.239 -27.819 658 HD3 ARG 84 HD3 ARG 84 -22.083 1.324 -28.622 659 HE ARG 84 HE ARG 84 -20.353 0.729 -30.042 660 HH11 ARG 84 HH11 ARG 84 -18.623 -2.288 -30.162 661 HH12 ARG 84 HH12 ARG 84 -19.046 -0.843 -31.083 662 HH21 ARG 84 HH21 ARG 84 -19.222 -2.638 -28.305 663 HH22 ARG 84 HH22 ARG 84 -20.127 -1.494 -27.298 664 H ASN 85 H ASN 85 -22.178 1.549 -22.474 665 HA ASN 85 HA ASN 85 -24.209 3.725 -22.323 666 HB2 ASN 85 HB2 ASN 85 -24.139 0.873 -21.269 667 HB3 ASN 85 HB3 ASN 85 -25.300 2.065 -20.699 668 HD21 ASN 85 HD21 ASN 85 -24.411 0.049 -23.468 669 HD22 ASN 85 HD22 ASN 85 -25.878 0.431 -24.367 670 H ASN 86 H ASN 86 -21.201 3.468 -21.335 671 HA ASN 86 HA ASN 86 -21.655 4.714 -18.638 672 HB2 ASN 86 HB2 ASN 86 -20.767 2.484 -18.327 673 HB3 ASN 86 HB3 ASN 86 -19.563 2.711 -19.593 674 HD21 ASN 86 HD21 ASN 86 -17.541 3.240 -18.935 675 HD22 ASN 86 HD22 ASN 86 -17.156 3.952 -17.384 676 H LEU 87 H LEU 87 -19.335 4.469 -21.395 677 HA LEU 87 HA LEU 87 -17.752 6.725 -20.662 678 HB2 LEU 87 HB2 LEU 87 -18.263 5.427 -23.368 679 HB3 LEU 87 HB3 LEU 87 -16.971 6.580 -23.043 680 HG LEU 87 HG LEU 87 -17.231 3.858 -21.677 681 HD11 LEU 87 HD11 LEU 87 -15.351 3.193 -23.098 682 HD12 LEU 87 HD12 LEU 87 -16.750 3.659 -24.081 683 HD13 LEU 87 HD13 LEU 87 -15.377 4.778 -23.907 684 HD21 LEU 87 HD21 LEU 87 -14.979 5.908 -21.640 685 HD22 LEU 87 HD22 LEU 87 -15.998 5.429 -20.260 686 HD23 LEU 87 HD23 LEU 87 -14.890 4.260 -20.978 687 H ILE 88 H ILE 88 -20.885 6.665 -21.951 688 HA ILE 88 HA ILE 88 -20.925 9.314 -23.202 689 HB ILE 88 HB ILE 88 -23.374 8.805 -23.392 690 HG12 ILE 88 HG12 ILE 88 -22.687 6.077 -22.194 691 HG13 ILE 88 HG13 ILE 88 -23.488 7.362 -21.293 692 HG21 ILE 88 HG21 ILE 88 -21.738 8.187 -25.148 693 HG22 ILE 88 HG22 ILE 88 -21.556 6.581 -24.414 694 HG23 ILE 88 HG23 ILE 88 -23.114 7.082 -25.097 695 HD11 ILE 88 HD11 ILE 88 -24.603 5.935 -23.723 696 HD12 ILE 88 HD12 ILE 88 -25.124 5.803 -22.034 697 HD13 ILE 88 HD13 ILE 88 -25.367 7.327 -22.912 698 H GLN 89 H GLN 89 -21.285 8.205 -19.920 699 HA GLN 89 HA GLN 89 -23.339 9.996 -19.069 700 HB2 GLN 89 HB2 GLN 89 -22.801 7.924 -17.938 701 HB3 GLN 89 HB3 GLN 89 -21.199 8.524 -17.478 702 HG2 GLN 89 HG2 GLN 89 -22.112 10.130 -15.974 703 HG3 GLN 89 HG3 GLN 89 -23.719 10.024 -16.701 704 HE21 GLN 89 HE21 GLN 89 -24.522 9.784 -14.520 705 HE22 GLN 89 HE22 GLN 89 -24.504 8.188 -13.775 706 H GLN 90 H GLN 90 -23.221 12.168 -19.180 707 HA GLN 90 HA GLN 90 -20.765 13.641 -19.143 708 HB2 GLN 90 HB2 GLN 90 -23.134 14.132 -20.170 709 HB3 GLN 90 HB3 GLN 90 -23.475 14.905 -18.629 710 HG2 GLN 90 HG2 GLN 90 -21.077 15.577 -20.413 711 HG3 GLN 90 HG3 GLN 90 -22.639 16.353 -20.579 712 HE21 GLN 90 HE21 GLN 90 -19.654 16.972 -19.344 713 HE22 GLN 90 HE22 GLN 90 -20.137 18.043 -18.037 714 H LYS 91 H LYS 91 -23.029 12.819 -16.564 715 HA LYS 91 HA LYS 91 -21.159 13.873 -14.492 716 HB2 LYS 91 HB2 LYS 91 -24.163 14.425 -14.551 717 HB3 LYS 91 HB3 LYS 91 -23.090 14.739 -13.181 718 HG2 LYS 91 HG2 LYS 91 -21.775 16.327 -14.597 719 HG3 LYS 91 HG3 LYS 91 -22.931 16.053 -15.918 720 HD2 LYS 91 HD2 LYS 91 -24.775 16.893 -14.490 721 HD3 LYS 91 HD3 LYS 91 -23.608 17.210 -13.183 722 HE2 LYS 91 HE2 LYS 91 -22.361 18.753 -14.679 723 HE3 LYS 91 HE3 LYS 91 -23.507 18.426 -15.983 724 HZ1 LYS 91 HZ1 LYS 91 -24.067 20.477 -14.812 725 HZ2 LYS 91 HZ2 LYS 91 -25.264 19.391 -14.593 726 HZ3 LYS 91 HZ3 LYS 91 -24.205 19.695 -13.387 727 H ASN 92 H ASN 92 -20.729 12.304 -13.078 728 HA ASN 92 HA ASN 92 -21.931 9.725 -13.166 729 HB2 ASN 92 HB2 ASN 92 -19.592 10.187 -12.459 730 HB3 ASN 92 HB3 ASN 92 -20.198 10.968 -10.995 731 HD21 ASN 92 HD21 ASN 92 -19.197 9.449 -9.575 732 HD22 ASN 92 HD22 ASN 92 -19.756 7.785 -9.492 Start of MODEL 12 1 H MET 1 H MET 1 -25.374 11.972 4.499 2 HA MET 1 HA MET 1 -23.036 10.722 4.385 3 HB2 MET 1 HB2 MET 1 -25.304 9.879 6.249 4 HB3 MET 1 HB3 MET 1 -23.605 9.464 6.473 5 HG2 MET 1 HG2 MET 1 -23.927 11.270 7.883 6 HG3 MET 1 HG3 MET 1 -23.066 11.931 6.500 7 HE1 MET 1 HE1 MET 1 -25.194 14.963 7.764 8 HE2 MET 1 HE2 MET 1 -24.408 13.705 8.742 9 HE3 MET 1 HE3 MET 1 -23.575 14.378 7.321 10 H ALA 2 H ALA 2 -25.555 9.398 2.698 11 HA ALA 2 HA ALA 2 -24.102 6.896 2.131 12 HB1 ALA 2 HB1 ALA 2 -25.595 6.301 4.026 13 HB2 ALA 2 HB2 ALA 2 -26.995 6.919 3.120 14 HB3 ALA 2 HB3 ALA 2 -26.107 5.497 2.533 15 H VAL 3 H VAL 3 -25.116 5.704 0.302 16 HA VAL 3 HA VAL 3 -26.751 7.297 -1.595 17 HB VAL 3 HB VAL 3 -25.172 6.621 -3.451 18 HG11 VAL 3 HG11 VAL 3 -25.339 8.941 -2.615 19 HG12 VAL 3 HG12 VAL 3 -24.036 8.611 -1.453 20 HG13 VAL 3 HG13 VAL 3 -23.716 8.540 -3.197 21 HG21 VAL 3 HG21 VAL 3 -22.826 6.231 -2.971 22 HG22 VAL 3 HG22 VAL 3 -23.109 6.305 -1.222 23 HG23 VAL 3 HG23 VAL 3 -23.780 4.968 -2.184 24 H SER 4 H SER 4 -27.884 6.099 -3.116 25 HA SER 4 HA SER 4 -28.727 3.494 -2.295 26 HB2 SER 4 HB2 SER 4 -29.228 4.908 -4.941 27 HB3 SER 4 HB3 SER 4 -30.172 3.571 -4.255 28 HG SER 4 HG SER 4 -31.144 5.615 -3.846 29 H VAL 5 H VAL 5 -26.247 4.443 -4.558 30 HA VAL 5 HA VAL 5 -25.568 1.627 -5.174 31 HB VAL 5 HB VAL 5 -25.197 2.163 -7.562 32 HG11 VAL 5 HG11 VAL 5 -27.469 1.949 -8.330 33 HG12 VAL 5 HG12 VAL 5 -27.268 1.003 -6.844 34 HG13 VAL 5 HG13 VAL 5 -28.108 2.570 -6.796 35 HG21 VAL 5 HG21 VAL 5 -26.797 4.711 -7.065 36 HG22 VAL 5 HG22 VAL 5 -25.065 4.636 -7.458 37 HG23 VAL 5 HG23 VAL 5 -26.263 4.084 -8.636 38 H THR 6 H THR 6 -23.349 1.455 -6.146 39 HA THR 6 HA THR 6 -21.469 2.926 -4.627 40 HB THR 6 HB THR 6 -19.767 1.880 -6.198 41 HG1 THR 6 HG1 THR 6 -20.732 0.170 -7.476 42 HG21 THR 6 HG21 THR 6 -20.524 0.771 -4.107 43 HG22 THR 6 HG22 THR 6 -21.842 -0.011 -5.008 44 HG23 THR 6 HG23 THR 6 -20.148 -0.390 -5.390 45 HA PRO 7 HA PRO 7 -21.040 6.580 -7.133 46 HB2 PRO 7 HB2 PRO 7 -18.886 7.786 -5.997 47 HB3 PRO 7 HB3 PRO 7 -20.405 7.520 -5.091 48 HG2 PRO 7 HG2 PRO 7 -17.916 5.772 -5.084 49 HG3 PRO 7 HG3 PRO 7 -18.794 6.443 -3.671 50 HD2 PRO 7 HD2 PRO 7 -19.254 3.915 -4.601 51 HD3 PRO 7 HD3 PRO 7 -20.570 4.928 -3.930 52 H ILE 8 H ILE 8 -18.891 4.022 -7.458 53 HA ILE 8 HA ILE 8 -16.742 5.091 -8.953 54 HB ILE 8 HB ILE 8 -16.253 2.810 -9.569 55 HG12 ILE 8 HG12 ILE 8 -19.067 2.107 -8.625 56 HG13 ILE 8 HG13 ILE 8 -18.447 2.010 -10.272 57 HG21 ILE 8 HG21 ILE 8 -15.885 3.648 -7.219 58 HG22 ILE 8 HG22 ILE 8 -17.377 2.819 -6.732 59 HG23 ILE 8 HG23 ILE 8 -15.997 1.892 -7.358 60 HD11 ILE 8 HD11 ILE 8 -17.593 0.266 -7.942 61 HD12 ILE 8 HD12 ILE 8 -18.530 -0.203 -9.369 62 HD13 ILE 8 HD13 ILE 8 -16.828 0.260 -9.551 63 H ARG 9 H ARG 9 -16.197 4.853 -11.171 64 HA ARG 9 HA ARG 9 -18.365 4.434 -13.146 65 HB2 ARG 9 HB2 ARG 9 -18.391 6.881 -12.556 66 HB3 ARG 9 HB3 ARG 9 -16.756 7.017 -13.232 67 HG2 ARG 9 HG2 ARG 9 -17.581 6.248 -15.426 68 HG3 ARG 9 HG3 ARG 9 -19.181 5.924 -14.731 69 HD2 ARG 9 HD2 ARG 9 -19.475 8.330 -14.286 70 HD3 ARG 9 HD3 ARG 9 -17.883 8.659 -15.010 71 HE ARG 9 HE ARG 9 -19.331 7.150 -16.901 72 HH11 ARG 9 HH11 ARG 9 -20.801 10.846 -16.787 73 HH12 ARG 9 HH12 ARG 9 -19.914 10.276 -15.384 74 HH21 ARG 9 HH21 ARG 9 -21.057 9.656 -18.509 75 HH22 ARG 9 HH22 ARG 9 -20.271 8.083 -18.687 76 H ASP 10 H ASP 10 -14.892 4.946 -12.596 77 HA ASP 10 HA ASP 10 -13.948 4.239 -15.180 78 HB2 ASP 10 HB2 ASP 10 -12.659 3.859 -12.447 79 HB3 ASP 10 HB3 ASP 10 -11.817 3.745 -13.989 80 H THR 11 H THR 11 -15.118 2.180 -12.592 81 HA THR 11 HA THR 11 -14.554 -0.271 -14.210 82 HB THR 11 HB THR 11 -14.449 -1.493 -12.005 83 HG1 THR 11 HG1 THR 11 -13.967 -0.183 -10.204 84 HG21 THR 11 HG21 THR 11 -12.138 -0.882 -11.501 85 HG22 THR 11 HG22 THR 11 -12.395 -0.963 -13.250 86 HG23 THR 11 HG23 THR 11 -12.299 0.620 -12.441 87 H LYS 12 H LYS 12 -17.069 1.656 -13.303 88 HA LYS 12 HA LYS 12 -19.065 -0.074 -12.268 89 HB2 LYS 12 HB2 LYS 12 -19.261 2.403 -12.510 90 HB3 LYS 12 HB3 LYS 12 -19.316 2.230 -14.256 91 HG2 LYS 12 HG2 LYS 12 -21.546 2.581 -13.589 92 HG3 LYS 12 HG3 LYS 12 -21.447 0.882 -13.999 93 HD2 LYS 12 HD2 LYS 12 -22.769 1.031 -12.040 94 HD3 LYS 12 HD3 LYS 12 -21.214 0.394 -11.486 95 HE2 LYS 12 HE2 LYS 12 -20.548 2.634 -10.703 96 HE3 LYS 12 HE3 LYS 12 -21.988 3.350 -11.425 97 HZ1 LYS 12 HZ1 LYS 12 -21.959 1.466 -9.121 98 HZ2 LYS 12 HZ2 LYS 12 -22.301 3.044 -9.069 99 HZ3 LYS 12 HZ3 LYS 12 -23.328 2.025 -9.847 100 H TRP 13 H TRP 13 -18.126 0.494 -15.647 101 HA TRP 13 HA TRP 13 -20.033 -1.376 -16.776 102 HB2 TRP 13 HB2 TRP 13 -19.485 -0.416 -18.675 103 HB3 TRP 13 HB3 TRP 13 -18.587 0.742 -17.744 104 HD1 TRP 13 HD1 TRP 13 -18.132 -2.420 -19.828 105 HE1 TRP 13 HE1 TRP 13 -15.864 -2.371 -21.010 106 HE3 TRP 13 HE3 TRP 13 -16.065 1.640 -17.459 107 HZ2 TRP 13 HZ2 TRP 13 -13.488 -0.747 -20.995 108 HZ3 TRP 13 HZ3 TRP 13 -13.802 2.421 -18.096 109 HH2 TRP 13 HH2 TRP 13 -12.506 1.247 -19.852 110 H LEU 14 H LEU 14 -16.872 -1.749 -15.428 111 HA LEU 14 HA LEU 14 -16.307 -4.339 -16.722 112 HB2 LEU 14 HB2 LEU 14 -14.786 -2.603 -14.732 113 HB3 LEU 14 HB3 LEU 14 -14.157 -4.089 -15.406 114 HG LEU 14 HG LEU 14 -14.920 -1.649 -17.066 115 HD11 LEU 14 HD11 LEU 14 -12.505 -1.302 -17.290 116 HD12 LEU 14 HD12 LEU 14 -13.002 -1.185 -15.601 117 HD13 LEU 14 HD13 LEU 14 -12.196 -2.659 -16.174 118 HD21 LEU 14 HD21 LEU 14 -14.983 -3.756 -18.384 119 HD22 LEU 14 HD22 LEU 14 -13.617 -2.745 -18.851 120 HD23 LEU 14 HD23 LEU 14 -13.340 -4.153 -17.816 121 H THR 15 H THR 15 -17.833 -3.323 -13.780 122 HA THR 15 HA THR 15 -16.985 -5.606 -12.219 123 HB THR 15 HB THR 15 -19.322 -3.862 -11.575 124 HG1 THR 15 HG1 THR 15 -17.305 -2.682 -11.879 125 HG21 THR 15 HG21 THR 15 -18.738 -4.414 -9.244 126 HG22 THR 15 HG22 THR 15 -19.199 -5.837 -10.182 127 HG23 THR 15 HG23 THR 15 -17.491 -5.537 -9.827 128 H LEU 16 H LEU 16 -17.381 -7.237 -13.693 129 HA LEU 16 HA LEU 16 -19.936 -7.992 -14.769 130 HB2 LEU 16 HB2 LEU 16 -17.484 -8.334 -15.585 131 HB3 LEU 16 HB3 LEU 16 -17.390 -9.649 -14.450 132 HG LEU 16 HG LEU 16 -18.942 -10.971 -15.710 133 HD11 LEU 16 HD11 LEU 16 -19.990 -10.132 -17.823 134 HD12 LEU 16 HD12 LEU 16 -20.657 -9.378 -16.376 135 HD13 LEU 16 HD13 LEU 16 -19.490 -8.483 -17.386 136 HD21 LEU 16 HD21 LEU 16 -16.613 -10.774 -16.576 137 HD22 LEU 16 HD22 LEU 16 -17.747 -10.982 -17.917 138 HD23 LEU 16 HD23 LEU 16 -17.094 -9.390 -17.569 139 H GLU 17 H GLU 17 -21.353 -9.654 -14.113 140 HA GLU 17 HA GLU 17 -21.331 -10.429 -11.311 141 HB2 GLU 17 HB2 GLU 17 -23.004 -11.407 -13.649 142 HB3 GLU 17 HB3 GLU 17 -23.275 -11.805 -11.937 143 HG2 GLU 17 HG2 GLU 17 -23.641 -9.418 -11.439 144 HG3 GLU 17 HG3 GLU 17 -23.373 -9.017 -13.146 145 H VAL 18 H VAL 18 -21.157 -12.508 -10.393 146 HA VAL 18 HA VAL 18 -19.371 -14.380 -11.834 147 HB VAL 18 HB VAL 18 -19.142 -15.591 -9.793 148 HG11 VAL 18 HG11 VAL 18 -19.032 -12.637 -9.085 149 HG12 VAL 18 HG12 VAL 18 -18.071 -13.961 -8.402 150 HG13 VAL 18 HG13 VAL 18 -17.840 -13.495 -10.097 151 HG21 VAL 18 HG21 VAL 18 -21.310 -13.813 -8.617 152 HG22 VAL 18 HG22 VAL 18 -21.352 -15.567 -8.819 153 HG23 VAL 18 HG23 VAL 18 -20.225 -14.839 -7.662 154 H CYS 19 H CYS 19 -19.864 -16.696 -12.014 155 HA CYS 19 HA CYS 19 -22.623 -17.161 -12.799 156 HB2 CYS 19 HB2 CYS 19 -20.713 -18.126 -14.027 157 HB3 CYS 19 HB3 CYS 19 -20.285 -19.073 -12.610 158 H ARG 20 H ARG 20 -24.187 -18.147 -11.704 159 HA ARG 20 HA ARG 20 -24.068 -18.418 -8.829 160 HB2 ARG 20 HB2 ARG 20 -26.208 -19.332 -10.799 161 HB3 ARG 20 HB3 ARG 20 -26.365 -19.311 -9.050 162 HG2 ARG 20 HG2 ARG 20 -27.485 -17.388 -9.798 163 HG3 ARG 20 HG3 ARG 20 -25.979 -16.811 -9.071 164 HD2 ARG 20 HD2 ARG 20 -25.026 -16.323 -11.222 165 HD3 ARG 20 HD3 ARG 20 -26.263 -17.267 -12.067 166 HE ARG 20 HE ARG 20 -27.919 -15.548 -11.329 167 HH11 ARG 20 HH11 ARG 20 -27.037 -12.277 -11.929 168 HH12 ARG 20 HH12 ARG 20 -28.387 -13.391 -11.700 169 HH21 ARG 20 HH21 ARG 20 -25.128 -12.802 -11.872 170 HH22 ARG 20 HH22 ARG 20 -24.521 -14.438 -11.589 171 H GLU 21 H GLU 21 -23.641 -20.774 -11.406 172 HA GLU 21 HA GLU 21 -23.920 -23.038 -9.521 173 HB2 GLU 21 HB2 GLU 21 -23.057 -22.936 -12.424 174 HB3 GLU 21 HB3 GLU 21 -23.371 -24.404 -11.494 175 HG2 GLU 21 HG2 GLU 21 -25.436 -22.254 -12.178 176 HG3 GLU 21 HG3 GLU 21 -25.264 -23.810 -12.973 177 H PHE 22 H PHE 22 -21.356 -21.200 -11.149 178 HA PHE 22 HA PHE 22 -19.125 -22.765 -10.248 179 HB2 PHE 22 HB2 PHE 22 -19.159 -21.049 -12.048 180 HB3 PHE 22 HB3 PHE 22 -19.338 -19.798 -10.835 181 HD1 PHE 22 HD1 PHE 22 -17.054 -22.316 -12.296 182 HD2 PHE 22 HD2 PHE 22 -17.434 -19.026 -9.535 183 HE1 PHE 22 HE1 PHE 22 -14.577 -22.189 -12.105 184 HE2 PHE 22 HE2 PHE 22 -14.963 -18.878 -9.376 185 HZ PHE 22 HZ PHE 22 -13.529 -20.468 -10.645 186 H GLN 23 H GLN 23 -21.127 -20.285 -8.701 187 HA GLN 23 HA GLN 23 -19.473 -19.792 -6.407 188 HB2 GLN 23 HB2 GLN 23 -22.438 -19.484 -6.963 189 HB3 GLN 23 HB3 GLN 23 -21.802 -19.166 -5.358 190 HG2 GLN 23 HG2 GLN 23 -20.691 -17.783 -7.824 191 HG3 GLN 23 HG3 GLN 23 -22.059 -17.160 -6.904 192 HE21 GLN 23 HE21 GLN 23 -21.660 -16.341 -4.712 193 HE22 GLN 23 HE22 GLN 23 -20.012 -16.008 -4.199 194 H ARG 24 H ARG 24 -21.306 -22.582 -7.231 195 HA ARG 24 HA ARG 24 -20.913 -23.763 -4.501 196 HB2 ARG 24 HB2 ARG 24 -23.157 -24.283 -6.510 197 HB3 ARG 24 HB3 ARG 24 -22.824 -25.284 -5.106 198 HG2 ARG 24 HG2 ARG 24 -24.425 -24.020 -4.179 199 HG3 ARG 24 HG3 ARG 24 -23.033 -23.048 -3.741 200 HD2 ARG 24 HD2 ARG 24 -24.793 -21.580 -4.508 201 HD3 ARG 24 HD3 ARG 24 -23.494 -21.549 -5.690 202 HE ARG 24 HE ARG 24 -24.947 -22.285 -7.275 203 HH11 ARG 24 HH11 ARG 24 -27.934 -23.623 -4.991 204 HH12 ARG 24 HH12 ARG 24 -26.490 -23.033 -4.216 205 HH21 ARG 24 HH21 ARG 24 -28.087 -23.681 -7.173 206 HH22 ARG 24 HH22 ARG 24 -26.765 -23.209 -8.207 207 H GLY 25 H GLY 25 -19.295 -23.626 -7.173 208 HA2 GLY 25 HA2 GLY 25 -17.821 -24.954 -8.302 209 HA3 GLY 25 HA3 GLY 25 -17.873 -26.043 -6.908 210 H THR 26 H THR 26 -20.605 -25.268 -9.078 211 HA THR 26 HA THR 26 -20.551 -28.059 -10.140 212 HB THR 26 HB THR 26 -22.002 -27.848 -8.165 213 HG1 THR 26 HG1 THR 26 -23.230 -28.451 -10.628 214 HG21 THR 26 HG21 THR 26 -24.202 -26.806 -8.332 215 HG22 THR 26 HG22 THR 26 -22.918 -25.600 -8.439 216 HG23 THR 26 HG23 THR 26 -23.783 -26.104 -9.909 217 H CYS 27 H CYS 27 -20.005 -25.227 -11.367 218 HA CYS 27 HA CYS 27 -21.943 -25.067 -13.518 219 HB2 CYS 27 HB2 CYS 27 -20.476 -23.165 -12.677 220 HB3 CYS 27 HB3 CYS 27 -19.122 -23.919 -13.519 221 H SER 28 H SER 28 -21.089 -25.259 -15.838 222 HA SER 28 HA SER 28 -19.560 -27.814 -16.272 223 HB2 SER 28 HB2 SER 28 -22.235 -27.119 -17.533 224 HB3 SER 28 HB3 SER 28 -21.257 -28.554 -17.891 225 HG SER 28 HG SER 28 -22.922 -28.995 -16.377 226 H ARG 29 H ARG 29 -19.222 -24.722 -16.893 227 HA ARG 29 HA ARG 29 -18.219 -25.063 -19.709 228 HB2 ARG 29 HB2 ARG 29 -19.769 -22.795 -18.421 229 HB3 ARG 29 HB3 ARG 29 -18.955 -22.654 -19.964 230 HG2 ARG 29 HG2 ARG 29 -20.393 -24.314 -20.997 231 HG3 ARG 29 HG3 ARG 29 -21.162 -24.699 -19.449 232 HD2 ARG 29 HD2 ARG 29 -21.254 -21.993 -20.826 233 HD3 ARG 29 HD3 ARG 29 -22.553 -23.183 -20.859 234 HE ARG 29 HE ARG 29 -21.704 -21.512 -18.530 235 HH11 ARG 29 HH11 ARG 29 -23.873 -24.123 -19.468 236 HH12 ARG 29 HH12 ARG 29 -24.675 -24.061 -17.921 237 HH21 ARG 29 HH21 ARG 29 -23.915 -22.666 -16.326 238 HH22 ARG 29 HH22 ARG 29 -22.576 -21.604 -16.694 239 HA PRO 30 HA PRO 30 -14.588 -22.976 -17.928 240 HB2 PRO 30 HB2 PRO 30 -13.303 -22.202 -20.209 241 HB3 PRO 30 HB3 PRO 30 -13.374 -23.914 -19.694 242 HG2 PRO 30 HG2 PRO 30 -15.170 -22.499 -21.692 243 HG3 PRO 30 HG3 PRO 30 -14.294 -24.049 -21.906 244 HD2 PRO 30 HD2 PRO 30 -16.911 -23.992 -21.165 245 HD3 PRO 30 HD3 PRO 30 -15.789 -25.191 -20.479 246 H ASP 31 H ASP 31 -13.709 -20.693 -17.973 247 HA ASP 31 HA ASP 31 -15.693 -18.685 -17.775 248 HB2 ASP 31 HB2 ASP 31 -13.395 -18.668 -16.766 249 HB3 ASP 31 HB3 ASP 31 -12.725 -18.368 -18.361 250 H THR 32 H THR 32 -13.852 -19.734 -20.580 251 HA THR 32 HA THR 32 -14.448 -17.562 -22.370 252 HB THR 32 HB THR 32 -13.659 -19.196 -24.120 253 HG1 THR 32 HG1 THR 32 -12.728 -21.090 -23.325 254 HG21 THR 32 HG21 THR 32 -12.117 -17.625 -22.975 255 HG22 THR 32 HG22 THR 32 -11.832 -18.833 -21.703 256 HG23 THR 32 HG23 THR 32 -11.333 -19.161 -23.377 257 H GLU 33 H GLU 33 -16.512 -20.043 -21.257 258 HA GLU 33 HA GLU 33 -18.290 -19.827 -23.686 259 HB2 GLU 33 HB2 GLU 33 -17.641 -22.079 -21.779 260 HB3 GLU 33 HB3 GLU 33 -19.107 -22.134 -22.717 261 HG2 GLU 33 HG2 GLU 33 -16.301 -21.971 -23.884 262 HG3 GLU 33 HG3 GLU 33 -17.266 -23.434 -23.692 263 H CYS 34 H CYS 34 -18.240 -19.758 -20.102 264 HA CYS 34 HA CYS 34 -21.046 -20.054 -19.847 265 HB2 CYS 34 HB2 CYS 34 -19.160 -20.454 -18.151 266 HB3 CYS 34 HB3 CYS 34 -19.309 -18.738 -17.757 267 H LYS 35 H LYS 35 -22.430 -18.591 -18.681 268 HA LYS 35 HA LYS 35 -22.920 -16.131 -20.259 269 HB2 LYS 35 HB2 LYS 35 -24.520 -17.566 -18.091 270 HB3 LYS 35 HB3 LYS 35 -25.058 -16.101 -18.927 271 HG2 LYS 35 HG2 LYS 35 -24.884 -17.275 -21.112 272 HG3 LYS 35 HG3 LYS 35 -24.438 -18.771 -20.267 273 HD2 LYS 35 HD2 LYS 35 -26.604 -18.782 -19.091 274 HD3 LYS 35 HD3 LYS 35 -27.049 -17.242 -19.870 275 HE2 LYS 35 HE2 LYS 35 -26.805 -18.306 -22.099 276 HE3 LYS 35 HE3 LYS 35 -26.391 -19.840 -21.328 277 HZ1 LYS 35 HZ1 LYS 35 -28.747 -19.764 -21.926 278 HZ2 LYS 35 HZ2 LYS 35 -28.610 -19.848 -20.303 279 HZ3 LYS 35 HZ3 LYS 35 -28.994 -18.430 -21.022 280 H PHE 36 H PHE 36 -21.359 -16.820 -17.346 281 HA PHE 36 HA PHE 36 -21.257 -13.960 -16.552 282 HB2 PHE 36 HB2 PHE 36 -21.739 -16.245 -14.640 283 HB3 PHE 36 HB3 PHE 36 -21.594 -14.547 -14.211 284 HD1 PHE 36 HD1 PHE 36 -23.899 -17.163 -14.848 285 HD2 PHE 36 HD2 PHE 36 -23.353 -12.914 -15.317 286 HE1 PHE 36 HE1 PHE 36 -26.363 -16.855 -14.934 287 HE2 PHE 36 HE2 PHE 36 -25.819 -12.604 -15.388 288 HZ PHE 36 HZ PHE 36 -27.326 -14.576 -15.198 289 H ALA 37 H ALA 37 -19.474 -13.845 -14.643 290 HA ALA 37 HA ALA 37 -17.048 -14.907 -15.909 291 HB1 ALA 37 HB1 ALA 37 -15.948 -13.367 -14.341 292 HB2 ALA 37 HB2 ALA 37 -17.241 -12.542 -15.224 293 HB3 ALA 37 HB3 ALA 37 -17.511 -13.047 -13.549 294 H HIS 38 H HIS 38 -15.468 -16.173 -14.955 295 HA HIS 38 HA HIS 38 -16.171 -17.691 -12.472 296 HB2 HIS 38 HB2 HIS 38 -14.767 -18.616 -14.993 297 HB3 HIS 38 HB3 HIS 38 -14.827 -19.538 -13.501 298 HD1 HIS 38 HD1 HIS 38 -16.096 -20.781 -16.106 299 HD2 HIS 38 HD2 HIS 38 -18.140 -18.557 -13.181 300 HE1 HIS 38 HE1 HIS 38 -18.558 -21.431 -16.279 301 HA PRO 39 HA PRO 39 -12.328 -15.298 -11.513 302 HB2 PRO 39 HB2 PRO 39 -12.661 -15.332 -8.746 303 HB3 PRO 39 HB3 PRO 39 -13.342 -14.115 -9.853 304 HG2 PRO 39 HG2 PRO 39 -14.661 -16.584 -8.705 305 HG3 PRO 39 HG3 PRO 39 -15.342 -14.935 -8.828 306 HD2 PRO 39 HD2 PRO 39 -15.982 -16.850 -10.605 307 HD3 PRO 39 HD3 PRO 39 -15.728 -15.168 -11.154 308 H SER 40 H SER 40 -10.302 -15.939 -10.884 309 HA SER 40 HA SER 40 -9.807 -18.783 -10.323 310 HB2 SER 40 HB2 SER 40 -7.521 -18.272 -10.709 311 HB3 SER 40 HB3 SER 40 -8.421 -17.312 -11.903 312 HG SER 40 HG SER 40 -6.913 -15.983 -10.934 313 H LYS 41 H LYS 41 -7.737 -18.946 -8.771 314 HA LYS 41 HA LYS 41 -8.515 -18.568 -6.034 315 HB2 LYS 41 HB2 LYS 41 -5.889 -19.215 -7.433 316 HB3 LYS 41 HB3 LYS 41 -6.056 -19.173 -5.666 317 HG2 LYS 41 HG2 LYS 41 -7.807 -20.927 -5.769 318 HG3 LYS 41 HG3 LYS 41 -7.681 -20.965 -7.530 319 HD2 LYS 41 HD2 LYS 41 -6.470 -22.833 -6.646 320 HD3 LYS 41 HD3 LYS 41 -5.309 -21.696 -7.347 321 HE2 LYS 41 HE2 LYS 41 -4.782 -20.831 -5.076 322 HE3 LYS 41 HE3 LYS 41 -5.985 -21.921 -4.374 323 HZ1 LYS 41 HZ1 LYS 41 -3.546 -22.792 -5.835 324 HZ2 LYS 41 HZ2 LYS 41 -3.746 -22.848 -4.218 325 HZ3 LYS 41 HZ3 LYS 41 -4.657 -23.798 -5.180 326 H SER 42 H SER 42 -6.964 -16.369 -8.261 327 HA SER 42 HA SER 42 -6.157 -14.547 -6.022 328 HB2 SER 42 HB2 SER 42 -5.228 -14.534 -8.907 329 HB3 SER 42 HB3 SER 42 -4.695 -13.439 -7.614 330 HG SER 42 HG SER 42 -3.250 -15.221 -7.908 331 H CYS 43 H CYS 43 -8.436 -14.757 -8.719 332 HA CYS 43 HA CYS 43 -8.811 -11.983 -9.140 333 HB2 CYS 43 HB2 CYS 43 -10.744 -14.292 -9.431 334 HB3 CYS 43 HB3 CYS 43 -11.044 -12.652 -10.026 335 HG CYS 43 HG CYS 43 -8.830 -12.532 -11.523 336 H GLN 44 H GLN 44 -9.967 -10.406 -8.182 337 HA GLN 44 HA GLN 44 -10.878 -10.785 -5.439 338 HB2 GLN 44 HB2 GLN 44 -9.538 -8.864 -6.300 339 HB3 GLN 44 HB3 GLN 44 -10.937 -8.318 -7.231 340 HG2 GLN 44 HG2 GLN 44 -12.196 -7.899 -5.195 341 HG3 GLN 44 HG3 GLN 44 -10.959 -8.689 -4.204 342 HE21 GLN 44 HE21 GLN 44 -12.104 -5.655 -4.749 343 HE22 GLN 44 HE22 GLN 44 -10.578 -4.785 -4.617 344 H VAL 45 H VAL 45 -12.895 -11.055 -4.737 345 HA VAL 45 HA VAL 45 -15.234 -10.757 -6.592 346 HB VAL 45 HB VAL 45 -15.015 -12.792 -4.353 347 HG11 VAL 45 HG11 VAL 45 -16.915 -12.547 -6.722 348 HG12 VAL 45 HG12 VAL 45 -16.921 -13.859 -5.527 349 HG13 VAL 45 HG13 VAL 45 -17.319 -12.215 -5.026 350 HG21 VAL 45 HG21 VAL 45 -14.494 -13.303 -7.297 351 HG22 VAL 45 HG22 VAL 45 -13.323 -13.463 -5.975 352 HG23 VAL 45 HG23 VAL 45 -14.710 -14.548 -6.054 353 H GLU 46 H GLU 46 -16.917 -9.591 -5.840 354 HA GLU 46 HA GLU 46 -17.210 -8.951 -2.945 355 HB2 GLU 46 HB2 GLU 46 -16.877 -6.900 -5.175 356 HB3 GLU 46 HB3 GLU 46 -17.506 -6.535 -3.564 357 HG2 GLU 46 HG2 GLU 46 -15.379 -7.233 -2.534 358 HG3 GLU 46 HG3 GLU 46 -14.730 -7.670 -4.118 359 H ASN 47 H ASN 47 -19.251 -9.023 -2.353 360 HA ASN 47 HA ASN 47 -21.454 -9.507 -2.413 361 HB2 ASN 47 HB2 ASN 47 -21.022 -6.997 -2.218 362 HB3 ASN 47 HB3 ASN 47 -21.510 -6.876 -3.912 363 HD21 ASN 47 HD21 ASN 47 -23.345 -5.559 -3.416 364 HD22 ASN 47 HD22 ASN 47 -24.735 -6.224 -2.571 365 H GLY 48 H GLY 48 -20.479 -11.018 -4.576 366 HA2 GLY 48 HA2 GLY 48 -21.722 -12.453 -6.008 367 HA3 GLY 48 HA3 GLY 48 -22.977 -11.227 -6.178 368 H ARG 49 H ARG 49 -19.887 -9.887 -6.668 369 HA ARG 49 HA ARG 49 -19.824 -10.397 -9.598 370 HB2 ARG 49 HB2 ARG 49 -19.620 -7.595 -8.399 371 HB3 ARG 49 HB3 ARG 49 -19.586 -8.067 -10.090 372 HG2 ARG 49 HG2 ARG 49 -21.957 -8.933 -9.824 373 HG3 ARG 49 HG3 ARG 49 -21.979 -8.168 -8.222 374 HD2 ARG 49 HD2 ARG 49 -21.596 -5.977 -9.206 375 HD3 ARG 49 HD3 ARG 49 -21.245 -6.707 -10.777 376 HE ARG 49 HE ARG 49 -23.957 -6.849 -9.527 377 HH11 ARG 49 HH11 ARG 49 -25.445 -6.175 -12.543 378 HH12 ARG 49 HH12 ARG 49 -25.688 -6.551 -10.866 379 HH21 ARG 49 HH21 ARG 49 -23.444 -5.890 -13.369 380 HH22 ARG 49 HH22 ARG 49 -22.015 -6.118 -12.402 381 H VAL 50 H VAL 50 -17.957 -9.392 -10.554 382 HA VAL 50 HA VAL 50 -15.417 -9.374 -8.993 383 HB VAL 50 HB VAL 50 -14.398 -10.636 -10.930 384 HG11 VAL 50 HG11 VAL 50 -14.563 -11.784 -8.895 385 HG12 VAL 50 HG12 VAL 50 -16.308 -12.039 -9.055 386 HG13 VAL 50 HG13 VAL 50 -15.188 -12.899 -10.121 387 HG21 VAL 50 HG21 VAL 50 -15.753 -12.169 -12.238 388 HG22 VAL 50 HG22 VAL 50 -17.245 -11.561 -11.527 389 HG23 VAL 50 HG23 VAL 50 -16.264 -10.505 -12.570 390 H ILE 51 H ILE 51 -13.641 -8.417 -10.635 391 HA ILE 51 HA ILE 51 -14.989 -6.338 -12.355 392 HB ILE 51 HB ILE 51 -12.529 -5.933 -10.629 393 HG12 ILE 51 HG12 ILE 51 -15.385 -4.957 -10.360 394 HG13 ILE 51 HG13 ILE 51 -14.512 -6.030 -9.257 395 HG21 ILE 51 HG21 ILE 51 -12.663 -3.590 -11.418 396 HG22 ILE 51 HG22 ILE 51 -12.487 -4.651 -12.794 397 HG23 ILE 51 HG23 ILE 51 -14.089 -3.984 -12.406 398 HD11 ILE 51 HD11 ILE 51 -14.649 -3.887 -8.235 399 HD12 ILE 51 HD12 ILE 51 -12.957 -4.133 -8.722 400 HD13 ILE 51 HD13 ILE 51 -14.030 -3.064 -9.670 401 H ALA 52 H ALA 52 -14.364 -6.316 -14.408 402 HA ALA 52 HA ALA 52 -12.425 -8.203 -15.409 403 HB1 ALA 52 HB1 ALA 52 -14.458 -7.760 -16.645 404 HB2 ALA 52 HB2 ALA 52 -14.080 -6.032 -16.751 405 HB3 ALA 52 HB3 ALA 52 -13.073 -7.214 -17.610 406 H CYS 53 H CYS 53 -10.479 -7.819 -16.450 407 HA CYS 53 HA CYS 53 -8.848 -5.788 -15.295 408 HB2 CYS 53 HB2 CYS 53 -8.186 -8.125 -15.800 409 HB3 CYS 53 HB3 CYS 53 -8.171 -7.734 -17.524 410 H PHE 54 H PHE 54 -9.225 -3.774 -15.801 411 HA PHE 54 HA PHE 54 -9.784 -2.674 -18.398 412 HB2 PHE 54 HB2 PHE 54 -9.043 -0.513 -17.374 413 HB3 PHE 54 HB3 PHE 54 -10.305 -1.332 -16.492 414 HD1 PHE 54 HD1 PHE 54 -6.747 -0.342 -16.425 415 HD2 PHE 54 HD2 PHE 54 -9.954 -2.248 -14.256 416 HE1 PHE 54 HE1 PHE 54 -5.370 -0.312 -14.369 417 HE2 PHE 54 HE2 PHE 54 -8.595 -2.177 -12.186 418 HZ PHE 54 HZ PHE 54 -6.297 -1.211 -12.231 419 H ASP 55 H ASP 55 -6.729 -3.340 -16.665 420 HA ASP 55 HA ASP 55 -4.978 -2.053 -18.533 421 HB2 ASP 55 HB2 ASP 55 -4.501 -4.408 -16.672 422 HB3 ASP 55 HB3 ASP 55 -3.251 -3.597 -17.606 423 H SER 56 H SER 56 -6.278 -5.441 -18.448 424 HA SER 56 HA SER 56 -4.821 -6.318 -20.751 425 HB2 SER 56 HB2 SER 56 -5.822 -7.865 -19.189 426 HB3 SER 56 HB3 SER 56 -7.450 -7.296 -19.590 427 HG SER 56 HG SER 56 -6.706 -9.261 -20.694 428 H LEU 57 H LEU 57 -8.059 -4.789 -20.458 429 HA LEU 57 HA LEU 57 -8.703 -4.896 -23.269 430 HB2 LEU 57 HB2 LEU 57 -9.666 -3.250 -20.910 431 HB3 LEU 57 HB3 LEU 57 -10.251 -2.903 -22.532 432 HG LEU 57 HG LEU 57 -10.459 -5.687 -21.331 433 HD11 LEU 57 HD11 LEU 57 -11.656 -4.114 -19.872 434 HD12 LEU 57 HD12 LEU 57 -12.502 -3.422 -21.275 435 HD13 LEU 57 HD13 LEU 57 -12.807 -5.103 -20.782 436 HD21 LEU 57 HD21 LEU 57 -10.735 -5.579 -23.782 437 HD22 LEU 57 HD22 LEU 57 -12.275 -5.940 -22.997 438 HD23 LEU 57 HD23 LEU 57 -11.954 -4.301 -23.600 439 H LYS 58 H LYS 58 -7.053 -2.393 -21.317 440 HA LYS 58 HA LYS 58 -6.757 -0.561 -23.595 441 HB2 LYS 58 HB2 LYS 58 -5.589 -0.563 -20.778 442 HB3 LYS 58 HB3 LYS 58 -5.358 0.740 -21.930 443 HG2 LYS 58 HG2 LYS 58 -8.035 -0.158 -20.787 444 HG3 LYS 58 HG3 LYS 58 -7.116 1.252 -20.289 445 HD2 LYS 58 HD2 LYS 58 -8.462 0.812 -22.988 446 HD3 LYS 58 HD3 LYS 58 -9.004 1.872 -21.686 447 HE2 LYS 58 HE2 LYS 58 -6.913 3.217 -21.910 448 HE3 LYS 58 HE3 LYS 58 -6.397 2.181 -23.248 449 HZ1 LYS 58 HZ1 LYS 58 -8.849 3.860 -23.245 450 HZ2 LYS 58 HZ2 LYS 58 -7.478 4.193 -24.062 451 HZ3 LYS 58 HZ3 LYS 58 -8.377 2.898 -24.480 452 H GLY 59 H GLY 59 -5.033 -3.331 -22.707 453 HA2 GLY 59 HA2 GLY 59 -3.215 -4.303 -23.786 454 HA3 GLY 59 HA3 GLY 59 -2.964 -2.829 -24.726 455 H ARG 60 H ARG 60 -3.084 -3.134 -21.199 456 HA ARG 60 HA ARG 60 -0.224 -2.262 -20.933 457 HB2 ARG 60 HB2 ARG 60 -2.023 -0.549 -20.499 458 HB3 ARG 60 HB3 ARG 60 -2.598 -1.534 -19.150 459 HG2 ARG 60 HG2 ARG 60 -0.544 -1.180 -17.920 460 HG3 ARG 60 HG3 ARG 60 0.262 -0.496 -19.346 461 HD2 ARG 60 HD2 ARG 60 -0.332 1.297 -17.842 462 HD3 ARG 60 HD3 ARG 60 -1.317 1.419 -19.311 463 HE ARG 60 HE ARG 60 -2.667 -0.117 -17.236 464 HH11 ARG 60 HH11 ARG 60 -4.759 2.248 -16.126 465 HH12 ARG 60 HH12 ARG 60 -4.289 0.541 -16.229 466 HH21 ARG 60 HH21 ARG 60 -3.473 3.772 -17.198 467 HH22 ARG 60 HH22 ARG 60 -2.061 3.246 -18.075 468 H CYS 61 H CYS 61 -2.531 -4.687 -19.909 469 HA CYS 61 HA CYS 61 -1.272 -5.339 -17.435 470 HB2 CYS 61 HB2 CYS 61 -3.626 -5.926 -18.206 471 HB3 CYS 61 HB3 CYS 61 -2.927 -7.254 -19.123 472 H SER 62 H SER 62 0.213 -6.746 -16.861 473 HA SER 62 HA SER 62 1.577 -8.614 -18.691 474 HB2 SER 62 HB2 SER 62 3.804 -7.666 -18.251 475 HB3 SER 62 HB3 SER 62 2.763 -6.497 -19.073 476 HG SER 62 HG SER 62 3.905 -5.549 -17.317 477 H ARG 63 H ARG 63 0.096 -8.292 -15.902 478 HA ARG 63 HA ARG 63 1.883 -9.260 -13.861 479 HB2 ARG 63 HB2 ARG 63 -1.148 -9.135 -14.172 480 HB3 ARG 63 HB3 ARG 63 -0.369 -9.712 -12.697 481 HG2 ARG 63 HG2 ARG 63 0.765 -7.561 -12.390 482 HG3 ARG 63 HG3 ARG 63 0.021 -6.920 -13.865 483 HD2 ARG 63 HD2 ARG 63 -1.572 -8.001 -11.499 484 HD3 ARG 63 HD3 ARG 63 -1.111 -6.309 -11.649 485 HE ARG 63 HE ARG 63 -3.078 -7.771 -13.387 486 HH11 ARG 63 HH11 ARG 63 -4.297 -4.954 -14.742 487 HH12 ARG 63 HH12 ARG 63 -4.358 -6.703 -14.686 488 HH21 ARG 63 HH21 ARG 63 -2.878 -3.849 -13.728 489 HH22 ARG 63 HH22 ARG 63 -1.629 -4.590 -12.717 490 H GLU 64 H GLU 64 1.613 -11.160 -12.657 491 HA GLU 64 HA GLU 64 0.959 -13.655 -14.191 492 HB2 GLU 64 HB2 GLU 64 2.755 -14.745 -12.925 493 HB3 GLU 64 HB3 GLU 64 3.350 -13.433 -13.945 494 HG2 GLU 64 HG2 GLU 64 3.539 -11.958 -11.968 495 HG3 GLU 64 HG3 GLU 64 2.866 -13.222 -10.941 496 H ASN 65 H ASN 65 -0.073 -11.766 -11.721 497 HA ASN 65 HA ASN 65 -1.637 -13.885 -10.370 498 HB2 ASN 65 HB2 ASN 65 0.452 -12.043 -9.154 499 HB3 ASN 65 HB3 ASN 65 -0.915 -12.558 -8.172 500 HD21 ASN 65 HD21 ASN 65 2.212 -13.320 -8.609 501 HD22 ASN 65 HD22 ASN 65 2.112 -15.042 -8.281 502 H CYS 66 H CYS 66 -2.286 -11.859 -12.358 503 HA CYS 66 HA CYS 66 -3.373 -9.482 -11.459 504 HB2 CYS 66 HB2 CYS 66 -2.948 -10.407 -13.815 505 HB3 CYS 66 HB3 CYS 66 -4.492 -11.249 -13.671 506 H LYS 67 H LYS 67 -5.017 -8.920 -10.262 507 HA LYS 67 HA LYS 67 -6.832 -10.914 -9.087 508 HB2 LYS 67 HB2 LYS 67 -6.947 -7.934 -8.559 509 HB3 LYS 67 HB3 LYS 67 -7.478 -9.271 -7.541 510 HG2 LYS 67 HG2 LYS 67 -5.020 -9.981 -7.393 511 HG3 LYS 67 HG3 LYS 67 -4.626 -8.409 -8.123 512 HD2 LYS 67 HD2 LYS 67 -6.242 -8.834 -5.568 513 HD3 LYS 67 HD3 LYS 67 -4.521 -8.429 -5.610 514 HE2 LYS 67 HE2 LYS 67 -4.911 -6.263 -6.520 515 HE3 LYS 67 HE3 LYS 67 -6.571 -6.646 -6.987 516 HZ1 LYS 67 HZ1 LYS 67 -6.395 -5.266 -4.955 517 HZ2 LYS 67 HZ2 LYS 67 -7.257 -6.625 -4.735 518 HZ3 LYS 67 HZ3 LYS 67 -5.716 -6.518 -4.154 519 H TYR 68 H TYR 68 -7.004 -9.351 -11.927 520 HA TYR 68 HA TYR 68 -9.953 -8.861 -11.791 521 HB2 TYR 68 HB2 TYR 68 -7.848 -7.542 -13.522 522 HB3 TYR 68 HB3 TYR 68 -9.572 -7.192 -13.515 523 HD1 TYR 68 HD1 TYR 68 -6.393 -6.806 -11.648 524 HD2 TYR 68 HD2 TYR 68 -10.620 -5.951 -11.678 525 HE1 TYR 68 HE1 TYR 68 -6.078 -5.164 -9.798 526 HE2 TYR 68 HE2 TYR 68 -10.306 -4.314 -9.828 527 HH TYR 68 HH TYR 68 -8.812 -3.323 -8.394 528 H LEU 69 H LEU 69 -11.248 -9.453 -13.500 529 HA LEU 69 HA LEU 69 -10.498 -11.983 -14.720 530 HB2 LEU 69 HB2 LEU 69 -12.985 -10.259 -14.615 531 HB3 LEU 69 HB3 LEU 69 -12.884 -11.511 -15.833 532 HG LEU 69 HG LEU 69 -14.085 -12.181 -13.800 533 HD11 LEU 69 HD11 LEU 69 -11.574 -13.835 -14.295 534 HD12 LEU 69 HD12 LEU 69 -13.107 -14.400 -13.602 535 HD13 LEU 69 HD13 LEU 69 -13.045 -13.866 -15.286 536 HD21 LEU 69 HD21 LEU 69 -12.968 -12.693 -11.735 537 HD22 LEU 69 HD22 LEU 69 -11.390 -12.249 -12.418 538 HD23 LEU 69 HD23 LEU 69 -12.608 -10.999 -12.148 539 H HIS 70 H HIS 70 -9.401 -12.217 -16.579 540 HA HIS 70 HA HIS 70 -9.130 -10.041 -18.511 541 HB2 HIS 70 HB2 HIS 70 -8.207 -12.903 -18.459 542 HB3 HIS 70 HB3 HIS 70 -8.071 -11.909 -19.903 543 HD1 HIS 70 HD1 HIS 70 -5.354 -12.025 -19.671 544 HD2 HIS 70 HD2 HIS 70 -7.468 -9.968 -16.674 545 HE1 HIS 70 HE1 HIS 70 -3.685 -10.456 -18.541 546 HA PRO 71 HA PRO 71 -13.312 -10.681 -19.991 547 HB2 PRO 71 HB2 PRO 71 -12.082 -9.298 -22.385 548 HB3 PRO 71 HB3 PRO 71 -13.715 -9.090 -21.678 549 HG2 PRO 71 HG2 PRO 71 -11.790 -7.374 -21.022 550 HG3 PRO 71 HG3 PRO 71 -12.764 -8.085 -19.697 551 HD2 PRO 71 HD2 PRO 71 -10.011 -8.931 -20.666 552 HD3 PRO 71 HD3 PRO 71 -10.584 -8.657 -19.003 553 HA PRO 72 HA PRO 72 -12.631 -14.308 -22.663 554 HB2 PRO 72 HB2 PRO 72 -15.027 -15.574 -22.236 555 HB3 PRO 72 HB3 PRO 72 -13.672 -15.625 -21.057 556 HG2 PRO 72 HG2 PRO 72 -16.144 -13.919 -21.067 557 HG3 PRO 72 HG3 PRO 72 -15.386 -14.741 -19.676 558 HD2 PRO 72 HD2 PRO 72 -15.036 -12.069 -20.249 559 HD3 PRO 72 HD3 PRO 72 -13.812 -13.056 -19.405 560 HA PRO 73 HA PRO 73 -14.500 -12.750 -26.402 561 HB2 PRO 73 HB2 PRO 73 -15.134 -15.643 -27.022 562 HB3 PRO 73 HB3 PRO 73 -14.442 -14.386 -28.094 563 HG2 PRO 73 HG2 PRO 73 -12.823 -16.214 -26.931 564 HG3 PRO 73 HG3 PRO 73 -12.334 -14.489 -26.973 565 HD2 PRO 73 HD2 PRO 73 -13.517 -16.052 -24.675 566 HD3 PRO 73 HD3 PRO 73 -12.197 -14.841 -24.678 567 H HIS 74 H HIS 74 -16.446 -15.236 -24.728 568 HA HIS 74 HA HIS 74 -18.965 -14.454 -25.891 569 HB2 HIS 74 HB2 HIS 74 -18.338 -16.723 -24.931 570 HB3 HIS 74 HB3 HIS 74 -18.421 -16.020 -23.318 571 HD1 HIS 74 HD1 HIS 74 -20.674 -16.749 -22.243 572 HD2 HIS 74 HD2 HIS 74 -20.866 -16.071 -26.414 573 HE1 HIS 74 HE1 HIS 74 -23.106 -17.219 -22.952 574 HE2 HIS 74 HE2 HIS 74 -23.217 -16.791 -25.492 575 H LEU 75 H LEU 75 -17.194 -12.962 -23.339 576 HA LEU 75 HA LEU 75 -19.633 -11.411 -22.529 577 HB2 LEU 75 HB2 LEU 75 -17.146 -11.952 -20.901 578 HB3 LEU 75 HB3 LEU 75 -18.493 -10.971 -20.386 579 HG LEU 75 HG LEU 75 -18.671 -13.958 -21.022 580 HD11 LEU 75 HD11 LEU 75 -17.385 -13.264 -18.904 581 HD12 LEU 75 HD12 LEU 75 -18.970 -12.727 -18.281 582 HD13 LEU 75 HD13 LEU 75 -18.719 -14.415 -18.740 583 HD21 LEU 75 HD21 LEU 75 -20.897 -13.783 -19.907 584 HD22 LEU 75 HD22 LEU 75 -20.717 -12.012 -19.865 585 HD23 LEU 75 HD23 LEU 75 -20.829 -12.872 -21.414 586 H LYS 76 H LYS 76 -16.533 -11.135 -24.076 587 HA LYS 76 HA LYS 76 -15.991 -8.368 -23.639 588 HB2 LYS 76 HB2 LYS 76 -15.466 -10.250 -25.957 589 HB3 LYS 76 HB3 LYS 76 -15.090 -8.524 -26.079 590 HG2 LYS 76 HG2 LYS 76 -13.628 -8.610 -24.133 591 HG3 LYS 76 HG3 LYS 76 -14.072 -10.293 -23.826 592 HD2 LYS 76 HD2 LYS 76 -11.884 -10.205 -24.852 593 HD3 LYS 76 HD3 LYS 76 -13.023 -10.984 -25.956 594 HE2 LYS 76 HE2 LYS 76 -13.236 -8.858 -27.233 595 HE3 LYS 76 HE3 LYS 76 -12.144 -8.059 -26.094 596 HZ1 LYS 76 HZ1 LYS 76 -10.966 -8.790 -28.087 597 HZ2 LYS 76 HZ2 LYS 76 -10.392 -9.607 -26.798 598 HZ3 LYS 76 HZ3 LYS 76 -11.404 -10.343 -27.851 599 H THR 77 H THR 77 -18.413 -9.877 -25.794 600 HA THR 77 HA THR 77 -19.223 -7.487 -27.150 601 HB THR 77 HB THR 77 -20.961 -9.875 -26.421 602 HG1 THR 77 HG1 THR 77 -20.248 -10.703 -28.404 603 HG21 THR 77 HG21 THR 77 -21.058 -7.885 -28.733 604 HG22 THR 77 HG22 THR 77 -22.100 -9.319 -28.561 605 HG23 THR 77 HG23 THR 77 -22.225 -7.994 -27.395 606 H GLN 78 H GLN 78 -20.345 -8.987 -24.091 607 HA GLN 78 HA GLN 78 -22.433 -7.055 -23.567 608 HB2 GLN 78 HB2 GLN 78 -20.918 -8.906 -21.664 609 HB3 GLN 78 HB3 GLN 78 -22.424 -8.060 -21.308 610 HG2 GLN 78 HG2 GLN 78 -22.013 -10.294 -23.348 611 HG3 GLN 78 HG3 GLN 78 -22.867 -10.399 -21.817 612 HE21 GLN 78 HE21 GLN 78 -24.964 -9.179 -21.609 613 HE22 GLN 78 HE22 GLN 78 -25.853 -8.833 -23.084 614 H LEU 79 H LEU 79 -19.053 -7.397 -22.465 615 HA LEU 79 HA LEU 79 -18.978 -5.091 -20.778 616 HB2 LEU 79 HB2 LEU 79 -16.818 -6.573 -22.324 617 HB3 LEU 79 HB3 LEU 79 -16.463 -5.271 -21.194 618 HG LEU 79 HG LEU 79 -17.966 -7.796 -20.388 619 HD11 LEU 79 HD11 LEU 79 -15.766 -8.410 -21.157 620 HD12 LEU 79 HD12 LEU 79 -15.009 -7.131 -20.169 621 HD13 LEU 79 HD13 LEU 79 -15.812 -8.519 -19.394 622 HD21 LEU 79 HD21 LEU 79 -17.265 -7.104 -18.092 623 HD22 LEU 79 HD22 LEU 79 -16.555 -5.626 -18.767 624 HD23 LEU 79 HD23 LEU 79 -18.309 -5.896 -18.841 625 H GLU 80 H GLU 80 -18.026 -5.353 -24.293 626 HA GLU 80 HA GLU 80 -17.317 -2.575 -24.401 627 HB2 GLU 80 HB2 GLU 80 -17.101 -2.743 -26.708 628 HB3 GLU 80 HB3 GLU 80 -16.545 -4.271 -26.041 629 HG2 GLU 80 HG2 GLU 80 -18.712 -5.313 -26.698 630 HG3 GLU 80 HG3 GLU 80 -19.247 -3.777 -27.378 631 H ILE 81 H ILE 81 -20.485 -4.137 -24.887 632 HA ILE 81 HA ILE 81 -21.834 -1.771 -25.860 633 HB ILE 81 HB ILE 81 -22.761 -4.352 -24.561 634 HG12 ILE 81 HG12 ILE 81 -23.196 -3.176 -27.351 635 HG13 ILE 81 HG13 ILE 81 -21.881 -4.270 -26.944 636 HG21 ILE 81 HG21 ILE 81 -24.401 -2.653 -23.837 637 HG22 ILE 81 HG22 ILE 81 -24.548 -2.060 -25.508 638 HG23 ILE 81 HG23 ILE 81 -25.107 -3.686 -25.062 639 HD11 ILE 81 HD11 ILE 81 -23.590 -5.573 -27.980 640 HD12 ILE 81 HD12 ILE 81 -23.584 -6.003 -26.258 641 HD13 ILE 81 HD13 ILE 81 -24.847 -4.933 -26.913 642 H ASN 82 H ASN 82 -21.349 -3.077 -22.546 643 HA ASN 82 HA ASN 82 -22.730 -0.887 -21.229 644 HB2 ASN 82 HB2 ASN 82 -20.773 -3.031 -20.297 645 HB3 ASN 82 HB3 ASN 82 -21.314 -1.740 -19.231 646 HD21 ASN 82 HD21 ASN 82 -22.437 -4.593 -21.023 647 HD22 ASN 82 HD22 ASN 82 -23.961 -4.690 -20.139 648 H GLY 83 H GLY 83 -19.334 -1.388 -22.209 649 HA2 GLY 83 HA2 GLY 83 -18.186 0.899 -20.953 650 HA3 GLY 83 HA3 GLY 83 -17.560 0.057 -22.381 651 H ARG 84 H ARG 84 -19.472 0.481 -24.296 652 HA ARG 84 HA ARG 84 -19.086 3.166 -25.220 653 HB2 ARG 84 HB2 ARG 84 -21.070 0.974 -25.955 654 HB3 ARG 84 HB3 ARG 84 -21.016 2.528 -26.798 655 HG2 ARG 84 HG2 ARG 84 -18.789 2.163 -27.596 656 HG3 ARG 84 HG3 ARG 84 -18.538 0.780 -26.534 657 HD2 ARG 84 HD2 ARG 84 -18.930 -0.032 -28.785 658 HD3 ARG 84 HD3 ARG 84 -20.255 -0.510 -27.737 659 HE ARG 84 HE ARG 84 -21.732 0.825 -28.934 660 HH11 ARG 84 HH11 ARG 84 -19.112 2.544 -31.407 661 HH12 ARG 84 HH12 ARG 84 -18.507 1.618 -30.061 662 HH21 ARG 84 HH21 ARG 84 -21.273 2.760 -31.733 663 HH22 ARG 84 HH22 ARG 84 -22.427 2.020 -30.665 664 H ASN 85 H ASN 85 -21.800 1.735 -23.413 665 HA ASN 85 HA ASN 85 -23.472 4.083 -23.472 666 HB2 ASN 85 HB2 ASN 85 -24.263 1.759 -23.030 667 HB3 ASN 85 HB3 ASN 85 -23.384 1.753 -21.502 668 HD21 ASN 85 HD21 ASN 85 -24.708 2.165 -19.761 669 HD22 ASN 85 HD22 ASN 85 -26.136 3.185 -19.836 670 H ASN 86 H ASN 86 -20.806 3.112 -21.340 671 HA ASN 86 HA ASN 86 -21.320 5.231 -19.363 672 HB2 ASN 86 HB2 ASN 86 -20.541 2.944 -18.786 673 HB3 ASN 86 HB3 ASN 86 -19.066 3.213 -19.716 674 HD21 ASN 86 HD21 ASN 86 -17.743 2.867 -17.913 675 HD22 ASN 86 HD22 ASN 86 -17.651 4.001 -16.575 676 H LEU 87 H LEU 87 -19.170 4.728 -22.115 677 HA LEU 87 HA LEU 87 -17.138 6.565 -21.706 678 HB2 LEU 87 HB2 LEU 87 -17.280 4.780 -23.409 679 HB3 LEU 87 HB3 LEU 87 -18.487 5.708 -24.294 680 HG LEU 87 HG LEU 87 -16.800 7.421 -24.842 681 HD11 LEU 87 HD11 LEU 87 -14.396 6.987 -24.350 682 HD12 LEU 87 HD12 LEU 87 -15.318 7.294 -22.877 683 HD13 LEU 87 HD13 LEU 87 -14.863 5.627 -23.304 684 HD21 LEU 87 HD21 LEU 87 -15.847 4.587 -25.408 685 HD22 LEU 87 HD22 LEU 87 -17.100 5.469 -26.311 686 HD23 LEU 87 HD23 LEU 87 -15.427 6.049 -26.331 687 H ILE 88 H ILE 88 -20.383 7.452 -22.190 688 HA ILE 88 HA ILE 88 -20.158 9.943 -23.556 689 HB ILE 88 HB ILE 88 -22.439 10.330 -22.757 690 HG12 ILE 88 HG12 ILE 88 -21.978 7.897 -20.968 691 HG13 ILE 88 HG13 ILE 88 -22.255 9.556 -20.449 692 HG21 ILE 88 HG21 ILE 88 -21.922 8.796 -24.680 693 HG22 ILE 88 HG22 ILE 88 -22.110 7.416 -23.576 694 HG23 ILE 88 HG23 ILE 88 -23.477 8.497 -23.901 695 HD11 ILE 88 HD11 ILE 88 -24.549 9.451 -21.462 696 HD12 ILE 88 HD12 ILE 88 -24.264 7.730 -21.814 697 HD13 ILE 88 HD13 ILE 88 -24.272 8.292 -20.138 698 H GLN 89 H GLN 89 -18.469 9.506 -20.873 699 HA GLN 89 HA GLN 89 -19.256 11.318 -18.930 700 HB2 GLN 89 HB2 GLN 89 -16.925 11.330 -18.177 701 HB3 GLN 89 HB3 GLN 89 -17.576 9.742 -18.504 702 HG2 GLN 89 HG2 GLN 89 -15.324 9.738 -19.227 703 HG3 GLN 89 HG3 GLN 89 -16.327 9.646 -20.663 704 HE21 GLN 89 HE21 GLN 89 -14.773 12.242 -18.606 705 HE22 GLN 89 HE22 GLN 89 -14.202 13.140 -20.005 706 H GLN 90 H GLN 90 -17.870 12.271 -21.991 707 HA GLN 90 HA GLN 90 -17.313 15.014 -21.129 708 HB2 GLN 90 HB2 GLN 90 -16.573 15.420 -23.334 709 HB3 GLN 90 HB3 GLN 90 -15.939 13.871 -22.841 710 HG2 GLN 90 HG2 GLN 90 -18.242 14.387 -24.776 711 HG3 GLN 90 HG3 GLN 90 -16.622 13.827 -25.174 712 HE21 GLN 90 HE21 GLN 90 -16.143 11.697 -23.430 713 HE22 GLN 90 HE22 GLN 90 -17.365 10.469 -23.705 714 H LYS 91 H LYS 91 -20.181 13.469 -21.778 715 HA LYS 91 HA LYS 91 -21.614 15.996 -22.536 716 HB2 LYS 91 HB2 LYS 91 -21.336 14.416 -24.435 717 HB3 LYS 91 HB3 LYS 91 -22.157 13.159 -23.504 718 HG2 LYS 91 HG2 LYS 91 -24.240 14.467 -23.511 719 HG3 LYS 91 HG3 LYS 91 -23.407 15.841 -24.252 720 HD2 LYS 91 HD2 LYS 91 -24.713 14.680 -25.926 721 HD3 LYS 91 HD3 LYS 91 -22.992 14.501 -26.293 722 HE2 LYS 91 HE2 LYS 91 -23.014 12.219 -25.306 723 HE3 LYS 91 HE3 LYS 91 -24.723 12.411 -24.887 724 HZ1 LYS 91 HZ1 LYS 91 -24.453 11.193 -26.971 725 HZ2 LYS 91 HZ2 LYS 91 -25.212 12.604 -27.269 726 HZ3 LYS 91 HZ3 LYS 91 -23.634 12.428 -27.655 727 H ASN 92 H ASN 92 -21.682 13.003 -20.647 728 HA ASN 92 HA ASN 92 -23.755 14.156 -18.866 729 HB2 ASN 92 HB2 ASN 92 -24.956 12.801 -20.583 730 HB3 ASN 92 HB3 ASN 92 -23.956 11.407 -20.173 731 HD21 ASN 92 HD21 ASN 92 -26.383 10.668 -19.949 732 HD22 ASN 92 HD22 ASN 92 -27.015 10.791 -18.314 Start of MODEL 13 1 H MET 1 H MET 1 -34.932 -1.333 -6.735 2 HA MET 1 HA MET 1 -33.012 -1.874 -8.026 3 HB2 MET 1 HB2 MET 1 -32.836 1.142 -7.628 4 HB3 MET 1 HB3 MET 1 -32.201 0.228 -9.000 5 HG2 MET 1 HG2 MET 1 -35.133 0.527 -8.269 6 HG3 MET 1 HG3 MET 1 -34.283 1.357 -9.566 7 HE1 MET 1 HE1 MET 1 -36.193 0.671 -11.244 8 HE2 MET 1 HE2 MET 1 -36.745 -1.001 -11.488 9 HE3 MET 1 HE3 MET 1 -37.035 -0.189 -9.933 10 H ALA 2 H ALA 2 -32.363 -1.040 -4.894 11 HA ALA 2 HA ALA 2 -29.720 -0.252 -4.645 12 HB1 ALA 2 HB1 ALA 2 -29.820 -1.313 -2.432 13 HB2 ALA 2 HB2 ALA 2 -31.331 -0.464 -2.807 14 HB3 ALA 2 HB3 ALA 2 -31.254 -2.239 -2.926 15 H VAL 3 H VAL 3 -30.787 -3.403 -5.708 16 HA VAL 3 HA VAL 3 -28.391 -4.909 -5.221 17 HB VAL 3 HB VAL 3 -29.326 -6.528 -6.832 18 HG11 VAL 3 HG11 VAL 3 -30.039 -6.539 -4.466 19 HG12 VAL 3 HG12 VAL 3 -31.415 -5.488 -4.872 20 HG13 VAL 3 HG13 VAL 3 -31.306 -7.121 -5.557 21 HG21 VAL 3 HG21 VAL 3 -31.620 -4.546 -7.222 22 HG22 VAL 3 HG22 VAL 3 -30.403 -4.969 -8.447 23 HG23 VAL 3 HG23 VAL 3 -31.521 -6.200 -7.850 24 H SER 4 H SER 4 -28.973 -2.471 -7.639 25 HA SER 4 HA SER 4 -26.430 -3.278 -8.993 26 HB2 SER 4 HB2 SER 4 -27.414 -2.897 -11.188 27 HB3 SER 4 HB3 SER 4 -28.247 -4.194 -10.319 28 HG SER 4 HG SER 4 -29.716 -2.730 -11.318 29 H VAL 5 H VAL 5 -28.379 -0.571 -7.899 30 HA VAL 5 HA VAL 5 -26.969 1.409 -9.495 31 HB VAL 5 HB VAL 5 -28.139 3.102 -8.196 32 HG11 VAL 5 HG11 VAL 5 -29.930 0.828 -9.112 33 HG12 VAL 5 HG12 VAL 5 -30.396 2.530 -8.922 34 HG13 VAL 5 HG13 VAL 5 -29.198 2.071 -10.142 35 HG21 VAL 5 HG21 VAL 5 -29.885 2.468 -6.556 36 HG22 VAL 5 HG22 VAL 5 -29.289 0.800 -6.574 37 HG23 VAL 5 HG23 VAL 5 -28.266 2.099 -5.954 38 H THR 6 H THR 6 -25.009 -0.080 -8.362 39 HA THR 6 HA THR 6 -23.859 0.890 -5.970 40 HB THR 6 HB THR 6 -21.740 -0.073 -6.732 41 HG1 THR 6 HG1 THR 6 -23.089 -0.611 -9.171 42 HG21 THR 6 HG21 THR 6 -23.472 -1.581 -5.815 43 HG22 THR 6 HG22 THR 6 -24.084 -1.880 -7.458 44 HG23 THR 6 HG23 THR 6 -22.437 -2.376 -7.013 45 HA PRO 7 HA PRO 7 -22.263 4.923 -6.566 46 HB2 PRO 7 HB2 PRO 7 -19.574 3.861 -5.673 47 HB3 PRO 7 HB3 PRO 7 -20.425 5.352 -5.158 48 HG2 PRO 7 HG2 PRO 7 -20.507 3.149 -3.597 49 HG3 PRO 7 HG3 PRO 7 -22.007 4.092 -3.880 50 HD2 PRO 7 HD2 PRO 7 -21.121 1.523 -5.200 51 HD3 PRO 7 HD3 PRO 7 -22.736 1.990 -4.586 52 H ILE 8 H ILE 8 -21.569 6.132 -8.241 53 HA ILE 8 HA ILE 8 -20.566 4.976 -10.604 54 HB ILE 8 HB ILE 8 -21.919 6.996 -10.572 55 HG12 ILE 8 HG12 ILE 8 -20.742 8.344 -12.260 56 HG13 ILE 8 HG13 ILE 8 -19.228 7.519 -11.907 57 HG21 ILE 8 HG21 ILE 8 -20.934 8.152 -8.598 58 HG22 ILE 8 HG22 ILE 8 -19.484 8.520 -9.555 59 HG23 ILE 8 HG23 ILE 8 -21.053 9.197 -10.016 60 HD11 ILE 8 HD11 ILE 8 -21.754 6.168 -12.972 61 HD12 ILE 8 HD12 ILE 8 -20.371 6.680 -13.958 62 HD13 ILE 8 HD13 ILE 8 -20.164 5.395 -12.763 63 H ARG 9 H ARG 9 -18.655 4.656 -11.470 64 HA ARG 9 HA ARG 9 -16.098 5.714 -10.506 65 HB2 ARG 9 HB2 ARG 9 -15.201 3.570 -9.802 66 HB3 ARG 9 HB3 ARG 9 -16.564 4.061 -8.800 67 HG2 ARG 9 HG2 ARG 9 -18.041 2.554 -10.294 68 HG3 ARG 9 HG3 ARG 9 -16.523 1.946 -10.979 69 HD2 ARG 9 HD2 ARG 9 -15.778 1.347 -8.707 70 HD3 ARG 9 HD3 ARG 9 -17.318 1.921 -8.058 71 HE ARG 9 HE ARG 9 -16.808 -0.580 -9.538 72 HH11 ARG 9 HH11 ARG 9 -20.107 -1.564 -9.537 73 HH12 ARG 9 HH12 ARG 9 -18.454 -2.011 -9.939 74 HH21 ARG 9 HH21 ARG 9 -20.625 0.381 -8.893 75 HH22 ARG 9 HH22 ARG 9 -19.438 1.640 -8.646 76 H ASP 10 H ASP 10 -14.289 4.868 -11.859 77 HA ASP 10 HA ASP 10 -14.994 4.661 -14.629 78 HB2 ASP 10 HB2 ASP 10 -12.640 4.409 -15.042 79 HB3 ASP 10 HB3 ASP 10 -12.904 5.667 -13.843 80 H THR 11 H THR 11 -14.505 2.154 -12.199 81 HA THR 11 HA THR 11 -14.361 -0.023 -14.168 82 HB THR 11 HB THR 11 -14.381 -1.455 -12.060 83 HG1 THR 11 HG1 THR 11 -13.944 -0.242 -10.142 84 HG21 THR 11 HG21 THR 11 -12.242 0.709 -12.172 85 HG22 THR 11 HG22 THR 11 -12.115 -0.865 -11.359 86 HG23 THR 11 HG23 THR 11 -12.257 -0.796 -13.121 87 H LYS 12 H LYS 12 -16.977 1.773 -13.212 88 HA LYS 12 HA LYS 12 -18.910 -0.075 -12.314 89 HB2 LYS 12 HB2 LYS 12 -19.102 2.403 -12.379 90 HB3 LYS 12 HB3 LYS 12 -19.325 2.352 -14.115 91 HG2 LYS 12 HG2 LYS 12 -21.242 0.581 -12.717 92 HG3 LYS 12 HG3 LYS 12 -21.261 2.201 -12.043 93 HD2 LYS 12 HD2 LYS 12 -22.933 2.095 -13.756 94 HD3 LYS 12 HD3 LYS 12 -21.633 3.160 -14.315 95 HE2 LYS 12 HE2 LYS 12 -20.690 1.268 -15.648 96 HE3 LYS 12 HE3 LYS 12 -22.010 0.227 -15.090 97 HZ1 LYS 12 HZ1 LYS 12 -23.553 1.786 -16.206 98 HZ2 LYS 12 HZ2 LYS 12 -22.280 2.667 -16.756 99 HZ3 LYS 12 HZ3 LYS 12 -22.488 1.116 -17.259 100 H TRP 13 H TRP 13 -17.912 0.555 -15.668 101 HA TRP 13 HA TRP 13 -19.884 -1.278 -16.815 102 HB2 TRP 13 HB2 TRP 13 -19.340 -0.326 -18.721 103 HB3 TRP 13 HB3 TRP 13 -18.431 0.826 -17.799 104 HD1 TRP 13 HD1 TRP 13 -17.912 -2.456 -19.736 105 HE1 TRP 13 HE1 TRP 13 -15.645 -2.412 -20.919 106 HE3 TRP 13 HE3 TRP 13 -16.071 1.918 -17.794 107 HZ2 TRP 13 HZ2 TRP 13 -13.321 -0.721 -21.010 108 HZ3 TRP 13 HZ3 TRP 13 -13.811 2.704 -18.446 109 HH2 TRP 13 HH2 TRP 13 -12.430 1.407 -20.046 110 H LEU 14 H LEU 14 -16.719 -1.662 -15.487 111 HA LEU 14 HA LEU 14 -16.181 -4.259 -16.756 112 HB2 LEU 14 HB2 LEU 14 -14.676 -2.568 -14.716 113 HB3 LEU 14 HB3 LEU 14 -14.057 -4.051 -15.413 114 HG LEU 14 HG LEU 14 -14.769 -1.574 -17.053 115 HD11 LEU 14 HD11 LEU 14 -12.066 -2.576 -16.081 116 HD12 LEU 14 HD12 LEU 14 -12.350 -1.206 -17.187 117 HD13 LEU 14 HD13 LEU 14 -12.902 -1.118 -15.513 118 HD21 LEU 14 HD21 LEU 14 -14.771 -3.679 -18.381 119 HD22 LEU 14 HD22 LEU 14 -13.405 -2.646 -18.805 120 HD23 LEU 14 HD23 LEU 14 -13.140 -4.058 -17.771 121 H THR 15 H THR 15 -17.764 -3.233 -13.863 122 HA THR 15 HA THR 15 -16.994 -5.543 -12.265 123 HB THR 15 HB THR 15 -19.301 -3.728 -11.649 124 HG1 THR 15 HG1 THR 15 -17.165 -2.642 -12.009 125 HG21 THR 15 HG21 THR 15 -19.133 -5.686 -10.206 126 HG22 THR 15 HG22 THR 15 -17.407 -5.366 -9.915 127 HG23 THR 15 HG23 THR 15 -18.641 -4.250 -9.303 128 H LEU 16 H LEU 16 -17.476 -7.134 -13.836 129 HA LEU 16 HA LEU 16 -20.133 -7.780 -14.785 130 HB2 LEU 16 HB2 LEU 16 -17.831 -8.157 -15.846 131 HB3 LEU 16 HB3 LEU 16 -17.601 -9.470 -14.712 132 HG LEU 16 HG LEU 16 -19.338 -10.777 -15.731 133 HD11 LEU 16 HD11 LEU 16 -20.060 -8.306 -17.370 134 HD12 LEU 16 HD12 LEU 16 -20.651 -9.949 -17.700 135 HD13 LEU 16 HD13 LEU 16 -21.105 -9.155 -16.202 136 HD21 LEU 16 HD21 LEU 16 -17.754 -9.286 -17.879 137 HD22 LEU 16 HD22 LEU 16 -17.173 -10.682 -16.947 138 HD23 LEU 16 HD23 LEU 16 -18.544 -10.845 -18.057 139 H GLU 17 H GLU 17 -21.495 -9.540 -14.138 140 HA GLU 17 HA GLU 17 -21.297 -10.302 -11.331 141 HB2 GLU 17 HB2 GLU 17 -23.189 -11.447 -13.405 142 HB3 GLU 17 HB3 GLU 17 -23.328 -11.470 -11.637 143 HG2 GLU 17 HG2 GLU 17 -23.221 -8.824 -11.945 144 HG3 GLU 17 HG3 GLU 17 -23.774 -9.214 -13.577 145 H VAL 18 H VAL 18 -21.107 -12.395 -10.426 146 HA VAL 18 HA VAL 18 -19.361 -14.208 -11.959 147 HB VAL 18 HB VAL 18 -19.041 -15.461 -9.974 148 HG11 VAL 18 HG11 VAL 18 -17.823 -13.322 -10.198 149 HG12 VAL 18 HG12 VAL 18 -19.037 -12.529 -9.162 150 HG13 VAL 18 HG13 VAL 18 -18.030 -13.835 -8.515 151 HG21 VAL 18 HG21 VAL 18 -21.260 -13.848 -8.667 152 HG22 VAL 18 HG22 VAL 18 -21.228 -15.589 -8.966 153 HG23 VAL 18 HG23 VAL 18 -20.109 -14.876 -7.796 154 H CYS 19 H CYS 19 -19.772 -16.491 -12.221 155 HA CYS 19 HA CYS 19 -22.500 -17.087 -13.008 156 HB2 CYS 19 HB2 CYS 19 -20.611 -17.943 -14.275 157 HB3 CYS 19 HB3 CYS 19 -19.993 -18.791 -12.865 158 H ARG 20 H ARG 20 -24.033 -18.048 -11.935 159 HA ARG 20 HA ARG 20 -23.930 -18.381 -9.067 160 HB2 ARG 20 HB2 ARG 20 -26.060 -19.208 -11.089 161 HB3 ARG 20 HB3 ARG 20 -26.244 -19.249 -9.343 162 HG2 ARG 20 HG2 ARG 20 -27.326 -17.285 -10.031 163 HG3 ARG 20 HG3 ARG 20 -25.822 -16.750 -9.273 164 HD2 ARG 20 HD2 ARG 20 -24.853 -16.175 -11.387 165 HD3 ARG 20 HD3 ARG 20 -26.066 -17.101 -12.286 166 HE ARG 20 HE ARG 20 -27.753 -15.425 -11.505 167 HH11 ARG 20 HH11 ARG 20 -28.258 -13.276 -11.824 168 HH12 ARG 20 HH12 ARG 20 -26.937 -12.125 -12.016 169 HH21 ARG 20 HH21 ARG 20 -24.377 -14.265 -11.737 170 HH22 ARG 20 HH22 ARG 20 -25.002 -12.632 -12.000 171 H GLU 21 H GLU 21 -23.509 -20.661 -11.698 172 HA GLU 21 HA GLU 21 -23.851 -23.002 -9.930 173 HB2 GLU 21 HB2 GLU 21 -22.854 -22.794 -12.788 174 HB3 GLU 21 HB3 GLU 21 -23.254 -24.287 -11.937 175 HG2 GLU 21 HG2 GLU 21 -25.227 -22.066 -12.667 176 HG3 GLU 21 HG3 GLU 21 -25.024 -23.588 -13.520 177 H PHE 22 H PHE 22 -21.238 -21.110 -11.447 178 HA PHE 22 HA PHE 22 -19.016 -22.712 -10.601 179 HB2 PHE 22 HB2 PHE 22 -19.007 -20.941 -12.337 180 HB3 PHE 22 HB3 PHE 22 -19.241 -19.730 -11.094 181 HD1 PHE 22 HD1 PHE 22 -17.378 -18.876 -9.823 182 HD2 PHE 22 HD2 PHE 22 -16.876 -22.274 -12.431 183 HE1 PHE 22 HE1 PHE 22 -14.912 -18.684 -9.607 184 HE2 PHE 22 HE2 PHE 22 -14.408 -22.072 -12.220 185 HZ PHE 22 HZ PHE 22 -13.425 -20.274 -10.811 186 H GLN 23 H GLN 23 -21.008 -20.283 -8.956 187 HA GLN 23 HA GLN 23 -19.339 -19.889 -6.654 188 HB2 GLN 23 HB2 GLN 23 -22.313 -19.570 -7.167 189 HB3 GLN 23 HB3 GLN 23 -21.656 -19.305 -5.561 190 HG2 GLN 23 HG2 GLN 23 -20.584 -17.831 -7.994 191 HG3 GLN 23 HG3 GLN 23 -21.945 -17.248 -7.040 192 HE21 GLN 23 HE21 GLN 23 -21.524 -16.451 -4.854 193 HE22 GLN 23 HE22 GLN 23 -19.872 -16.143 -4.339 194 H ARG 24 H ARG 24 -21.104 -22.657 -7.614 195 HA ARG 24 HA ARG 24 -20.743 -23.962 -4.939 196 HB2 ARG 24 HB2 ARG 24 -22.948 -24.441 -7.003 197 HB3 ARG 24 HB3 ARG 24 -22.636 -25.454 -5.600 198 HG2 ARG 24 HG2 ARG 24 -24.318 -24.190 -4.773 199 HG3 ARG 24 HG3 ARG 24 -22.929 -23.268 -4.195 200 HD2 ARG 24 HD2 ARG 24 -23.230 -21.701 -6.136 201 HD3 ARG 24 HD3 ARG 24 -24.619 -22.663 -6.665 202 HE ARG 24 HE ARG 24 -25.033 -21.907 -3.955 203 HH11 ARG 24 HH11 ARG 24 -26.784 -19.000 -4.521 204 HH12 ARG 24 HH12 ARG 24 -26.374 -20.235 -3.368 205 HH21 ARG 24 HH21 ARG 24 -26.003 -19.059 -6.576 206 HH22 ARG 24 HH22 ARG 24 -24.947 -20.359 -7.095 207 H GLY 25 H GLY 25 -19.107 -23.676 -7.587 208 HA2 GLY 25 HA2 GLY 25 -17.605 -24.912 -8.772 209 HA3 GLY 25 HA3 GLY 25 -17.631 -26.056 -7.424 210 H THR 26 H THR 26 -20.379 -25.306 -9.599 211 HA THR 26 HA THR 26 -20.166 -28.051 -10.773 212 HB THR 26 HB THR 26 -21.633 -27.997 -8.786 213 HG1 THR 26 HG1 THR 26 -22.812 -28.585 -11.276 214 HG21 THR 26 HG21 THR 26 -23.494 -26.290 -10.485 215 HG22 THR 26 HG22 THR 26 -23.891 -27.072 -8.941 216 HG23 THR 26 HG23 THR 26 -22.670 -25.796 -8.988 217 H CYS 27 H CYS 27 -19.902 -25.065 -11.849 218 HA CYS 27 HA CYS 27 -21.896 -24.842 -13.878 219 HB2 CYS 27 HB2 CYS 27 -20.411 -22.983 -13.103 220 HB3 CYS 27 HB3 CYS 27 -19.048 -23.753 -13.926 221 H SER 28 H SER 28 -22.128 -25.743 -15.826 222 HA SER 28 HA SER 28 -20.547 -28.086 -16.565 223 HB2 SER 28 HB2 SER 28 -22.347 -28.393 -18.245 224 HB3 SER 28 HB3 SER 28 -22.964 -28.192 -16.601 225 HG SER 28 HG SER 28 -24.130 -26.930 -18.126 226 H ARG 29 H ARG 29 -19.824 -24.975 -17.142 227 HA ARG 29 HA ARG 29 -18.857 -25.373 -19.968 228 HB2 ARG 29 HB2 ARG 29 -19.871 -22.912 -18.498 229 HB3 ARG 29 HB3 ARG 29 -19.171 -22.878 -20.101 230 HG2 ARG 29 HG2 ARG 29 -20.980 -24.209 -21.027 231 HG3 ARG 29 HG3 ARG 29 -21.693 -24.463 -19.427 232 HD2 ARG 29 HD2 ARG 29 -21.289 -21.749 -20.728 233 HD3 ARG 29 HD3 ARG 29 -22.811 -22.646 -20.766 234 HE ARG 29 HE ARG 29 -21.665 -21.173 -18.468 235 HH11 ARG 29 HH11 ARG 29 -24.785 -23.471 -17.644 236 HH12 ARG 29 HH12 ARG 29 -24.006 -23.705 -19.183 237 HH21 ARG 29 HH21 ARG 29 -23.898 -22.040 -16.160 238 HH22 ARG 29 HH22 ARG 29 -22.494 -21.111 -16.617 239 HA PRO 30 HA PRO 30 -14.854 -24.030 -18.397 240 HB2 PRO 30 HB2 PRO 30 -13.630 -23.168 -20.665 241 HB3 PRO 30 HB3 PRO 30 -13.996 -24.901 -20.399 242 HG2 PRO 30 HG2 PRO 30 -15.594 -22.880 -21.990 243 HG3 PRO 30 HG3 PRO 30 -15.098 -24.527 -22.488 244 HD2 PRO 30 HD2 PRO 30 -17.582 -23.984 -21.452 245 HD3 PRO 30 HD3 PRO 30 -16.747 -25.534 -21.151 246 H ASP 31 H ASP 31 -13.700 -22.004 -18.086 247 HA ASP 31 HA ASP 31 -15.283 -19.791 -17.429 248 HB2 ASP 31 HB2 ASP 31 -12.324 -19.719 -18.092 249 HB3 ASP 31 HB3 ASP 31 -13.198 -18.609 -17.041 250 H THR 32 H THR 32 -13.981 -20.563 -20.503 251 HA THR 32 HA THR 32 -14.117 -17.921 -21.728 252 HB THR 32 HB THR 32 -13.653 -19.300 -23.838 253 HG1 THR 32 HG1 THR 32 -12.918 -21.395 -23.429 254 HG21 THR 32 HG21 THR 32 -11.690 -19.534 -21.515 255 HG22 THR 32 HG22 THR 32 -11.302 -19.666 -23.246 256 HG23 THR 32 HG23 THR 32 -11.875 -18.127 -22.586 257 H GLU 33 H GLU 33 -16.409 -20.578 -21.403 258 HA GLU 33 HA GLU 33 -18.008 -19.554 -23.713 259 HB2 GLU 33 HB2 GLU 33 -17.407 -22.101 -23.133 260 HB3 GLU 33 HB3 GLU 33 -18.803 -21.981 -22.112 261 HG2 GLU 33 HG2 GLU 33 -18.860 -21.224 -25.060 262 HG3 GLU 33 HG3 GLU 33 -19.047 -22.880 -24.517 263 H CYS 34 H CYS 34 -18.176 -19.892 -20.180 264 HA CYS 34 HA CYS 34 -20.924 -19.736 -19.907 265 HB2 CYS 34 HB2 CYS 34 -19.131 -20.360 -18.211 266 HB3 CYS 34 HB3 CYS 34 -19.023 -18.630 -17.837 267 H LYS 35 H LYS 35 -22.327 -18.273 -19.151 268 HA LYS 35 HA LYS 35 -22.319 -15.698 -20.578 269 HB2 LYS 35 HB2 LYS 35 -24.436 -17.326 -19.119 270 HB3 LYS 35 HB3 LYS 35 -24.744 -15.698 -19.706 271 HG2 LYS 35 HG2 LYS 35 -25.582 -17.267 -21.303 272 HG3 LYS 35 HG3 LYS 35 -24.259 -16.351 -22.014 273 HD2 LYS 35 HD2 LYS 35 -22.763 -18.277 -21.860 274 HD3 LYS 35 HD3 LYS 35 -23.978 -19.190 -20.931 275 HE2 LYS 35 HE2 LYS 35 -25.508 -19.067 -22.894 276 HE3 LYS 35 HE3 LYS 35 -24.275 -18.185 -23.801 277 HZ1 LYS 35 HZ1 LYS 35 -24.279 -20.581 -24.299 278 HZ2 LYS 35 HZ2 LYS 35 -22.838 -20.154 -23.695 279 HZ3 LYS 35 HZ3 LYS 35 -23.913 -20.948 -22.755 280 H PHE 36 H PHE 36 -21.217 -16.544 -17.617 281 HA PHE 36 HA PHE 36 -21.274 -13.759 -16.619 282 HB2 PHE 36 HB2 PHE 36 -21.881 -16.185 -14.918 283 HB3 PHE 36 HB3 PHE 36 -21.656 -14.543 -14.318 284 HD1 PHE 36 HD1 PHE 36 -24.095 -16.930 -15.137 285 HD2 PHE 36 HD2 PHE 36 -23.258 -12.709 -15.412 286 HE1 PHE 36 HE1 PHE 36 -26.532 -16.452 -15.240 287 HE2 PHE 36 HE2 PHE 36 -25.696 -12.232 -15.504 288 HZ PHE 36 HZ PHE 36 -27.335 -14.103 -15.419 289 H ALA 37 H ALA 37 -19.538 -13.588 -14.752 290 HA ALA 37 HA ALA 37 -17.073 -14.593 -15.932 291 HB1 ALA 37 HB1 ALA 37 -16.052 -13.049 -14.328 292 HB2 ALA 37 HB2 ALA 37 -17.376 -12.255 -15.198 293 HB3 ALA 37 HB3 ALA 37 -17.636 -12.816 -13.537 294 H HIS 38 H HIS 38 -15.436 -15.760 -14.963 295 HA HIS 38 HA HIS 38 -16.118 -17.483 -12.612 296 HB2 HIS 38 HB2 HIS 38 -14.756 -18.157 -15.249 297 HB3 HIS 38 HB3 HIS 38 -14.532 -19.112 -13.792 298 HD1 HIS 38 HD1 HIS 38 -15.508 -21.086 -15.301 299 HD2 HIS 38 HD2 HIS 38 -18.180 -18.017 -14.249 300 HE1 HIS 38 HE1 HIS 38 -17.887 -21.993 -15.724 301 HA PRO 39 HA PRO 39 -12.319 -15.028 -11.509 302 HB2 PRO 39 HB2 PRO 39 -12.704 -15.108 -8.751 303 HB3 PRO 39 HB3 PRO 39 -13.377 -13.879 -9.841 304 HG2 PRO 39 HG2 PRO 39 -14.689 -16.377 -8.753 305 HG3 PRO 39 HG3 PRO 39 -15.381 -14.732 -8.862 306 HD2 PRO 39 HD2 PRO 39 -15.969 -16.655 -10.681 307 HD3 PRO 39 HD3 PRO 39 -15.760 -14.956 -11.192 308 H SER 40 H SER 40 -10.318 -15.614 -10.661 309 HA SER 40 HA SER 40 -9.849 -18.483 -10.084 310 HB2 SER 40 HB2 SER 40 -7.550 -18.010 -10.418 311 HB3 SER 40 HB3 SER 40 -8.402 -17.092 -11.680 312 HG SER 40 HG SER 40 -6.913 -15.735 -10.724 313 H LYS 41 H LYS 41 -7.833 -18.599 -8.458 314 HA LYS 41 HA LYS 41 -8.702 -18.080 -5.764 315 HB2 LYS 41 HB2 LYS 41 -6.054 -18.866 -7.050 316 HB3 LYS 41 HB3 LYS 41 -6.264 -18.735 -5.292 317 HG2 LYS 41 HG2 LYS 41 -8.077 -20.429 -5.371 318 HG3 LYS 41 HG3 LYS 41 -7.834 -20.604 -7.121 319 HD2 LYS 41 HD2 LYS 41 -5.501 -21.364 -6.728 320 HD3 LYS 41 HD3 LYS 41 -5.707 -21.108 -4.992 321 HE2 LYS 41 HE2 LYS 41 -5.934 -23.447 -5.372 322 HE3 LYS 41 HE3 LYS 41 -7.529 -22.816 -4.960 323 HZ1 LYS 41 HZ1 LYS 41 -7.604 -24.346 -6.856 324 HZ2 LYS 41 HZ2 LYS 41 -8.086 -22.867 -7.337 325 HZ3 LYS 41 HZ3 LYS 41 -6.590 -23.411 -7.723 326 H SER 42 H SER 42 -7.098 -15.999 -8.038 327 HA SER 42 HA SER 42 -6.189 -14.143 -5.869 328 HB2 SER 42 HB2 SER 42 -5.351 -14.268 -8.783 329 HB3 SER 42 HB3 SER 42 -4.725 -13.150 -7.554 330 HG SER 42 HG SER 42 -3.377 -15.006 -7.829 331 H CYS 43 H CYS 43 -8.533 -14.349 -8.495 332 HA CYS 43 HA CYS 43 -8.844 -11.589 -9.014 333 HB2 CYS 43 HB2 CYS 43 -10.821 -13.879 -9.205 334 HB3 CYS 43 HB3 CYS 43 -11.071 -12.268 -9.904 335 HG CYS 43 HG CYS 43 -8.831 -12.283 -11.367 336 H GLN 44 H GLN 44 -10.019 -9.961 -8.153 337 HA GLN 44 HA GLN 44 -11.053 -10.242 -5.427 338 HB2 GLN 44 HB2 GLN 44 -9.597 -8.381 -6.342 339 HB3 GLN 44 HB3 GLN 44 -10.981 -7.779 -7.239 340 HG2 GLN 44 HG2 GLN 44 -11.091 -8.203 -4.216 341 HG3 GLN 44 HG3 GLN 44 -10.301 -6.796 -4.901 342 HE21 GLN 44 HE21 GLN 44 -12.016 -5.802 -3.410 343 HE22 GLN 44 HE22 GLN 44 -13.555 -5.416 -4.181 344 H VAL 45 H VAL 45 -13.163 -10.298 -4.796 345 HA VAL 45 HA VAL 45 -15.318 -9.632 -6.673 346 HB VAL 45 HB VAL 45 -15.891 -11.612 -7.061 347 HG11 VAL 45 HG11 VAL 45 -13.701 -12.528 -6.818 348 HG12 VAL 45 HG12 VAL 45 -13.979 -12.819 -5.074 349 HG13 VAL 45 HG13 VAL 45 -14.898 -13.714 -6.309 350 HG21 VAL 45 HG21 VAL 45 -17.574 -11.472 -5.433 351 HG22 VAL 45 HG22 VAL 45 -17.024 -13.133 -5.576 352 HG23 VAL 45 HG23 VAL 45 -16.490 -12.165 -4.184 353 H GLU 46 H GLU 46 -17.199 -8.968 -5.842 354 HA GLU 46 HA GLU 46 -17.642 -8.834 -2.936 355 HB2 GLU 46 HB2 GLU 46 -17.463 -6.376 -4.746 356 HB3 GLU 46 HB3 GLU 46 -18.243 -6.370 -3.162 357 HG2 GLU 46 HG2 GLU 46 -16.106 -7.004 -2.082 358 HG3 GLU 46 HG3 GLU 46 -15.305 -6.983 -3.657 359 H ASN 47 H ASN 47 -19.797 -8.821 -2.420 360 HA ASN 47 HA ASN 47 -21.967 -9.426 -2.684 361 HB2 ASN 47 HB2 ASN 47 -21.723 -6.880 -2.630 362 HB3 ASN 47 HB3 ASN 47 -22.017 -6.918 -4.373 363 HD21 ASN 47 HD21 ASN 47 -23.955 -5.645 -4.079 364 HD22 ASN 47 HD22 ASN 47 -25.398 -6.383 -3.398 365 H GLY 48 H GLY 48 -20.591 -10.969 -4.617 366 HA2 GLY 48 HA2 GLY 48 -21.359 -12.519 -6.192 367 HA3 GLY 48 HA3 GLY 48 -22.827 -11.564 -6.422 368 H ARG 49 H ARG 49 -19.855 -9.781 -6.779 369 HA ARG 49 HA ARG 49 -19.772 -10.183 -9.719 370 HB2 ARG 49 HB2 ARG 49 -19.834 -7.395 -8.479 371 HB3 ARG 49 HB3 ARG 49 -19.834 -7.836 -10.187 372 HG2 ARG 49 HG2 ARG 49 -22.087 -8.969 -9.790 373 HG3 ARG 49 HG3 ARG 49 -22.101 -8.206 -8.195 374 HD2 ARG 49 HD2 ARG 49 -22.016 -5.979 -9.237 375 HD3 ARG 49 HD3 ARG 49 -21.869 -6.713 -10.837 376 HE ARG 49 HE ARG 49 -24.125 -7.577 -10.683 377 HH11 ARG 49 HH11 ARG 49 -26.665 -6.357 -8.849 378 HH12 ARG 49 HH12 ARG 49 -26.128 -7.444 -10.154 379 HH21 ARG 49 HH21 ARG 49 -25.255 -5.263 -7.691 380 HH22 ARG 49 HH22 ARG 49 -23.525 -5.342 -8.008 381 H VAL 50 H VAL 50 -17.963 -9.264 -10.747 382 HA VAL 50 HA VAL 50 -15.430 -9.078 -9.166 383 HB VAL 50 HB VAL 50 -14.406 -10.457 -11.023 384 HG11 VAL 50 HG11 VAL 50 -14.623 -11.512 -8.905 385 HG12 VAL 50 HG12 VAL 50 -16.366 -11.803 -9.163 386 HG13 VAL 50 HG13 VAL 50 -15.171 -12.671 -10.125 387 HG21 VAL 50 HG21 VAL 50 -16.238 -10.434 -12.697 388 HG22 VAL 50 HG22 VAL 50 -15.801 -12.081 -12.220 389 HG23 VAL 50 HG23 VAL 50 -17.273 -11.355 -11.587 390 H ILE 51 H ILE 51 -13.771 -7.850 -10.247 391 HA ILE 51 HA ILE 51 -14.880 -6.025 -12.343 392 HB ILE 51 HB ILE 51 -12.474 -5.688 -10.529 393 HG12 ILE 51 HG12 ILE 51 -15.288 -4.554 -10.514 394 HG13 ILE 51 HG13 ILE 51 -14.550 -5.609 -9.303 395 HG21 ILE 51 HG21 ILE 51 -13.777 -3.745 -12.507 396 HG22 ILE 51 HG22 ILE 51 -12.414 -3.379 -11.423 397 HG23 ILE 51 HG23 ILE 51 -12.193 -4.518 -12.729 398 HD11 ILE 51 HD11 ILE 51 -13.877 -2.698 -9.803 399 HD12 ILE 51 HD12 ILE 51 -14.692 -3.413 -8.407 400 HD13 ILE 51 HD13 ILE 51 -12.974 -3.775 -8.699 401 H ALA 52 H ALA 52 -14.253 -6.159 -14.390 402 HA ALA 52 HA ALA 52 -12.336 -8.123 -15.296 403 HB1 ALA 52 HB1 ALA 52 -13.910 -5.970 -16.759 404 HB2 ALA 52 HB2 ALA 52 -12.944 -7.239 -17.537 405 HB3 ALA 52 HB3 ALA 52 -14.360 -7.674 -16.561 406 H CYS 53 H CYS 53 -10.392 -7.819 -16.369 407 HA CYS 53 HA CYS 53 -8.699 -5.812 -15.266 408 HB2 CYS 53 HB2 CYS 53 -8.073 -8.168 -15.751 409 HB3 CYS 53 HB3 CYS 53 -8.094 -7.800 -17.479 410 H PHE 54 H PHE 54 -9.052 -3.798 -15.797 411 HA PHE 54 HA PHE 54 -9.631 -2.726 -18.400 412 HB2 PHE 54 HB2 PHE 54 -8.844 -0.565 -17.401 413 HB3 PHE 54 HB3 PHE 54 -10.113 -1.362 -16.502 414 HD1 PHE 54 HD1 PHE 54 -9.747 -2.277 -14.265 415 HD2 PHE 54 HD2 PHE 54 -6.537 -0.424 -16.474 416 HE1 PHE 54 HE1 PHE 54 -8.360 -2.234 -12.213 417 HE2 PHE 54 HE2 PHE 54 -5.133 -0.419 -14.436 418 HZ PHE 54 HZ PHE 54 -6.046 -1.306 -12.287 419 H ASP 55 H ASP 55 -6.565 -3.420 -16.699 420 HA ASP 55 HA ASP 55 -4.816 -2.187 -18.607 421 HB2 ASP 55 HB2 ASP 55 -4.357 -4.523 -16.716 422 HB3 ASP 55 HB3 ASP 55 -3.105 -3.750 -17.680 423 H SER 56 H SER 56 -6.155 -5.562 -18.446 424 HA SER 56 HA SER 56 -4.750 -6.486 -20.760 425 HB2 SER 56 HB2 SER 56 -5.744 -7.997 -19.157 426 HB3 SER 56 HB3 SER 56 -7.373 -7.428 -19.549 427 HG SER 56 HG SER 56 -6.649 -9.412 -20.629 428 H LEU 57 H LEU 57 -7.971 -4.919 -20.448 429 HA LEU 57 HA LEU 57 -8.644 -5.073 -23.251 430 HB2 LEU 57 HB2 LEU 57 -9.586 -3.391 -20.910 431 HB3 LEU 57 HB3 LEU 57 -10.180 -3.062 -22.532 432 HG LEU 57 HG LEU 57 -10.382 -5.833 -21.302 433 HD11 LEU 57 HD11 LEU 57 -11.565 -4.250 -19.844 434 HD12 LEU 57 HD12 LEU 57 -12.425 -3.569 -21.243 435 HD13 LEU 57 HD13 LEU 57 -12.725 -5.246 -20.735 436 HD21 LEU 57 HD21 LEU 57 -11.908 -4.471 -23.564 437 HD22 LEU 57 HD22 LEU 57 -10.683 -5.743 -23.753 438 HD23 LEU 57 HD23 LEU 57 -12.210 -6.110 -22.948 439 H LYS 58 H LYS 58 -6.956 -2.546 -21.360 440 HA LYS 58 HA LYS 58 -6.691 -0.754 -23.674 441 HB2 LYS 58 HB2 LYS 58 -5.493 -0.703 -20.871 442 HB3 LYS 58 HB3 LYS 58 -5.269 0.576 -22.050 443 HG2 LYS 58 HG2 LYS 58 -7.940 -0.290 -20.867 444 HG3 LYS 58 HG3 LYS 58 -7.012 1.125 -20.403 445 HD2 LYS 58 HD2 LYS 58 -8.383 0.640 -23.081 446 HD3 LYS 58 HD3 LYS 58 -8.909 1.728 -21.795 447 HE2 LYS 58 HE2 LYS 58 -6.813 3.058 -22.066 448 HE3 LYS 58 HE3 LYS 58 -6.311 1.991 -23.384 449 HZ1 LYS 58 HZ1 LYS 58 -8.295 2.692 -24.618 450 HZ2 LYS 58 HZ2 LYS 58 -8.756 3.683 -23.400 451 HZ3 LYS 58 HZ3 LYS 58 -7.388 3.991 -24.233 452 H GLY 59 H GLY 59 -4.944 -3.501 -22.731 453 HA2 GLY 59 HA2 GLY 59 -3.156 -4.498 -23.846 454 HA3 GLY 59 HA3 GLY 59 -2.904 -3.032 -24.795 455 H ARG 60 H ARG 60 -2.977 -3.327 -21.264 456 HA ARG 60 HA ARG 60 -0.101 -2.496 -21.045 457 HB2 ARG 60 HB2 ARG 60 -1.860 -0.743 -20.606 458 HB3 ARG 60 HB3 ARG 60 -2.436 -1.703 -19.240 459 HG2 ARG 60 HG2 ARG 60 -0.361 -1.373 -18.038 460 HG3 ARG 60 HG3 ARG 60 0.440 -0.721 -19.483 461 HD2 ARG 60 HD2 ARG 60 -0.097 1.099 -17.994 462 HD3 ARG 60 HD3 ARG 60 -1.111 1.223 -19.444 463 HE ARG 60 HE ARG 60 -2.458 -0.270 -17.347 464 HH11 ARG 60 HH11 ARG 60 -3.121 3.644 -17.232 465 HH12 ARG 60 HH12 ARG 60 -1.751 3.081 -18.153 466 HH21 ARG 60 HH21 ARG 60 -4.437 2.150 -16.150 467 HH22 ARG 60 HH22 ARG 60 -4.030 0.430 -16.290 468 H CYS 61 H CYS 61 -2.412 -4.895 -19.998 469 HA CYS 61 HA CYS 61 -1.110 -5.530 -17.525 470 HB2 CYS 61 HB2 CYS 61 -3.512 -6.047 -18.206 471 HB3 CYS 61 HB3 CYS 61 -2.885 -7.416 -19.116 472 H SER 62 H SER 62 0.448 -6.826 -17.022 473 HA SER 62 HA SER 62 1.658 -8.831 -18.850 474 HB2 SER 62 HB2 SER 62 3.245 -6.617 -17.479 475 HB3 SER 62 HB3 SER 62 3.940 -7.989 -18.359 476 HG SER 62 HG SER 62 3.828 -6.094 -19.644 477 H ARG 63 H ARG 63 0.158 -8.521 -16.100 478 HA ARG 63 HA ARG 63 1.949 -9.496 -14.046 479 HB2 ARG 63 HB2 ARG 63 -1.083 -9.300 -14.318 480 HB3 ARG 63 HB3 ARG 63 -0.296 -9.899 -12.858 481 HG2 ARG 63 HG2 ARG 63 0.912 -7.778 -12.581 482 HG3 ARG 63 HG3 ARG 63 0.136 -7.114 -14.026 483 HD2 ARG 63 HD2 ARG 63 -1.402 -8.167 -11.612 484 HD3 ARG 63 HD3 ARG 63 -0.901 -6.487 -11.767 485 HE ARG 63 HE ARG 63 -2.962 -7.879 -13.450 486 HH11 ARG 63 HH11 ARG 63 -4.131 -5.027 -14.767 487 HH12 ARG 63 HH12 ARG 63 -4.243 -6.773 -14.707 488 HH21 ARG 63 HH21 ARG 63 -2.656 -3.967 -13.802 489 HH22 ARG 63 HH22 ARG 63 -1.400 -4.742 -12.825 490 H GLU 64 H GLU 64 1.638 -11.389 -12.836 491 HA GLU 64 HA GLU 64 0.934 -13.870 -14.369 492 HB2 GLU 64 HB2 GLU 64 2.718 -14.991 -13.103 493 HB3 GLU 64 HB3 GLU 64 3.328 -13.700 -14.142 494 HG2 GLU 64 HG2 GLU 64 3.571 -12.211 -12.185 495 HG3 GLU 64 HG3 GLU 64 2.876 -13.445 -11.138 496 H ASN 65 H ASN 65 -0.026 -11.970 -11.872 497 HA ASN 65 HA ASN 65 -1.640 -14.052 -10.524 498 HB2 ASN 65 HB2 ASN 65 0.497 -12.267 -9.296 499 HB3 ASN 65 HB3 ASN 65 -0.862 -12.814 -8.316 500 HD21 ASN 65 HD21 ASN 65 2.262 -13.558 -8.799 501 HD22 ASN 65 HD22 ASN 65 2.168 -15.287 -8.520 502 H CYS 66 H CYS 66 -2.300 -12.051 -12.486 503 HA CYS 66 HA CYS 66 -3.193 -9.602 -11.605 504 HB2 CYS 66 HB2 CYS 66 -2.963 -10.562 -13.951 505 HB3 CYS 66 HB3 CYS 66 -4.542 -11.325 -13.718 506 H LYS 67 H LYS 67 -4.762 -8.854 -10.409 507 HA LYS 67 HA LYS 67 -6.584 -10.658 -8.977 508 HB2 LYS 67 HB2 LYS 67 -6.433 -7.651 -8.638 509 HB3 LYS 67 HB3 LYS 67 -6.968 -8.884 -7.481 510 HG2 LYS 67 HG2 LYS 67 -4.576 -9.772 -7.498 511 HG3 LYS 67 HG3 LYS 67 -4.131 -8.328 -8.427 512 HD2 LYS 67 HD2 LYS 67 -5.375 -8.342 -5.640 513 HD3 LYS 67 HD3 LYS 67 -3.662 -8.095 -6.005 514 HE2 LYS 67 HE2 LYS 67 -4.244 -6.066 -7.341 515 HE3 LYS 67 HE3 LYS 67 -5.949 -6.289 -6.924 516 HZ1 LYS 67 HZ1 LYS 67 -5.340 -6.003 -4.577 517 HZ2 LYS 67 HZ2 LYS 67 -3.766 -5.791 -4.966 518 HZ3 LYS 67 HZ3 LYS 67 -4.880 -4.697 -5.438 519 H TYR 68 H TYR 68 -6.917 -9.389 -11.907 520 HA TYR 68 HA TYR 68 -9.842 -8.806 -11.629 521 HB2 TYR 68 HB2 TYR 68 -7.800 -7.507 -13.456 522 HB3 TYR 68 HB3 TYR 68 -9.519 -7.161 -13.402 523 HD1 TYR 68 HD1 TYR 68 -6.277 -6.671 -11.710 524 HD2 TYR 68 HD2 TYR 68 -10.525 -5.940 -11.484 525 HE1 TYR 68 HE1 TYR 68 -5.894 -4.962 -9.937 526 HE2 TYR 68 HE2 TYR 68 -10.140 -4.240 -9.708 527 HH TYR 68 HH TYR 68 -8.587 -3.159 -8.408 528 H LEU 69 H LEU 69 -11.161 -9.288 -13.430 529 HA LEU 69 HA LEU 69 -10.528 -11.880 -14.596 530 HB2 LEU 69 HB2 LEU 69 -12.914 -10.035 -14.492 531 HB3 LEU 69 HB3 LEU 69 -12.877 -11.235 -15.764 532 HG LEU 69 HG LEU 69 -14.130 -11.878 -13.739 533 HD11 LEU 69 HD11 LEU 69 -13.337 -14.179 -13.665 534 HD12 LEU 69 HD12 LEU 69 -13.280 -13.570 -15.327 535 HD13 LEU 69 HD13 LEU 69 -11.782 -13.710 -14.380 536 HD21 LEU 69 HD21 LEU 69 -13.031 -12.589 -11.725 537 HD22 LEU 69 HD22 LEU 69 -11.431 -12.271 -12.421 538 HD23 LEU 69 HD23 LEU 69 -12.511 -10.922 -12.058 539 H HIS 70 H HIS 70 -9.333 -12.172 -16.382 540 HA HIS 70 HA HIS 70 -8.996 -10.120 -18.428 541 HB2 HIS 70 HB2 HIS 70 -8.145 -12.987 -18.179 542 HB3 HIS 70 HB3 HIS 70 -8.003 -12.125 -19.704 543 HD1 HIS 70 HD1 HIS 70 -5.316 -12.139 -19.600 544 HD2 HIS 70 HD2 HIS 70 -7.320 -10.054 -16.545 545 HE1 HIS 70 HE1 HIS 70 -3.619 -10.529 -18.570 546 HA PRO 71 HA PRO 71 -13.157 -10.829 -19.894 547 HB2 PRO 71 HB2 PRO 71 -11.993 -9.441 -22.315 548 HB3 PRO 71 HB3 PRO 71 -13.610 -9.250 -21.568 549 HG2 PRO 71 HG2 PRO 71 -11.685 -7.511 -20.971 550 HG3 PRO 71 HG3 PRO 71 -12.616 -8.221 -19.615 551 HD2 PRO 71 HD2 PRO 71 -9.893 -9.079 -20.665 552 HD3 PRO 71 HD3 PRO 71 -10.400 -8.756 -18.990 553 HA PRO 72 HA PRO 72 -12.439 -14.439 -22.587 554 HB2 PRO 72 HB2 PRO 72 -14.690 -15.876 -21.977 555 HB3 PRO 72 HB3 PRO 72 -13.269 -15.801 -20.880 556 HG2 PRO 72 HG2 PRO 72 -15.828 -14.219 -20.786 557 HG3 PRO 72 HG3 PRO 72 -14.989 -15.028 -19.429 558 HD2 PRO 72 HD2 PRO 72 -14.730 -12.329 -19.950 559 HD3 PRO 72 HD3 PRO 72 -13.423 -13.308 -19.243 560 HA PRO 73 HA PRO 73 -14.573 -13.162 -26.246 561 HB2 PRO 73 HB2 PRO 73 -15.333 -16.083 -26.543 562 HB3 PRO 73 HB3 PRO 73 -14.755 -14.939 -27.798 563 HG2 PRO 73 HG2 PRO 73 -13.026 -16.666 -26.650 564 HG3 PRO 73 HG3 PRO 73 -12.544 -14.954 -26.885 565 HD2 PRO 73 HD2 PRO 73 -13.468 -16.318 -24.358 566 HD3 PRO 73 HD3 PRO 73 -12.190 -15.083 -24.599 567 H HIS 74 H HIS 74 -16.602 -15.509 -24.391 568 HA HIS 74 HA HIS 74 -19.089 -14.431 -25.473 569 HB2 HIS 74 HB2 HIS 74 -18.449 -16.499 -23.348 570 HB3 HIS 74 HB3 HIS 74 -20.092 -15.983 -23.693 571 HD1 HIS 74 HD1 HIS 74 -20.367 -18.675 -24.428 572 HD2 HIS 74 HD2 HIS 74 -18.128 -16.092 -26.927 573 HE1 HIS 74 HE1 HIS 74 -20.286 -19.775 -26.741 574 HE2 HIS 74 HE2 HIS 74 -18.888 -18.217 -28.249 575 H LEU 75 H LEU 75 -17.111 -13.074 -23.142 576 HA LEU 75 HA LEU 75 -19.421 -11.564 -21.952 577 HB2 LEU 75 HB2 LEU 75 -16.685 -12.082 -20.788 578 HB3 LEU 75 HB3 LEU 75 -17.919 -11.082 -20.068 579 HG LEU 75 HG LEU 75 -18.174 -14.077 -20.569 580 HD11 LEU 75 HD11 LEU 75 -18.176 -12.947 -17.789 581 HD12 LEU 75 HD12 LEU 75 -17.647 -14.515 -18.401 582 HD13 LEU 75 HD13 LEU 75 -16.619 -13.089 -18.617 583 HD21 LEU 75 HD21 LEU 75 -20.162 -13.881 -19.079 584 HD22 LEU 75 HD22 LEU 75 -20.057 -12.110 -19.202 585 HD23 LEU 75 HD23 LEU 75 -20.362 -13.103 -20.647 586 H LYS 76 H LYS 76 -16.453 -11.248 -23.819 587 HA LYS 76 HA LYS 76 -15.925 -8.475 -23.418 588 HB2 LYS 76 HB2 LYS 76 -15.563 -10.319 -25.797 589 HB3 LYS 76 HB3 LYS 76 -15.133 -8.601 -25.870 590 HG2 LYS 76 HG2 LYS 76 -13.565 -8.804 -24.033 591 HG3 LYS 76 HG3 LYS 76 -14.083 -10.463 -23.699 592 HD2 LYS 76 HD2 LYS 76 -11.950 -10.482 -24.842 593 HD3 LYS 76 HD3 LYS 76 -13.189 -11.226 -25.858 594 HE2 LYS 76 HE2 LYS 76 -13.378 -9.119 -27.169 595 HE3 LYS 76 HE3 LYS 76 -12.189 -8.346 -26.111 596 HZ1 LYS 76 HZ1 LYS 76 -10.548 -9.982 -26.878 597 HZ2 LYS 76 HZ2 LYS 76 -11.648 -10.693 -27.857 598 HZ3 LYS 76 HZ3 LYS 76 -11.158 -9.165 -28.150 599 H THR 77 H THR 77 -18.451 -10.013 -25.372 600 HA THR 77 HA THR 77 -19.485 -7.674 -26.651 601 HB THR 77 HB THR 77 -21.036 -10.141 -25.784 602 HG1 THR 77 HG1 THR 77 -20.440 -10.942 -27.816 603 HG21 THR 77 HG21 THR 77 -21.408 -8.175 -28.092 604 HG22 THR 77 HG22 THR 77 -22.365 -9.653 -27.829 605 HG23 THR 77 HG23 THR 77 -22.458 -8.325 -26.665 606 H GLN 78 H GLN 78 -20.356 -9.261 -23.527 607 HA GLN 78 HA GLN 78 -22.464 -7.442 -22.807 608 HB2 GLN 78 HB2 GLN 78 -20.643 -9.175 -21.061 609 HB3 GLN 78 HB3 GLN 78 -22.078 -8.305 -20.510 610 HG2 GLN 78 HG2 GLN 78 -23.456 -9.657 -22.151 611 HG3 GLN 78 HG3 GLN 78 -21.997 -10.583 -22.532 612 HE21 GLN 78 HE21 GLN 78 -22.872 -12.597 -21.729 613 HE22 GLN 78 HE22 GLN 78 -23.110 -12.825 -19.992 614 H LEU 79 H LEU 79 -18.983 -7.535 -22.041 615 HA LEU 79 HA LEU 79 -18.890 -5.196 -20.398 616 HB2 LEU 79 HB2 LEU 79 -16.797 -6.578 -22.121 617 HB3 LEU 79 HB3 LEU 79 -16.420 -5.247 -21.033 618 HG LEU 79 HG LEU 79 -17.710 -7.840 -20.079 619 HD11 LEU 79 HD11 LEU 79 -14.782 -7.041 -20.119 620 HD12 LEU 79 HD12 LEU 79 -15.461 -8.463 -19.285 621 HD13 LEU 79 HD13 LEU 79 -15.565 -8.349 -21.048 622 HD21 LEU 79 HD21 LEU 79 -18.005 -5.955 -18.514 623 HD22 LEU 79 HD22 LEU 79 -16.811 -7.084 -17.866 624 HD23 LEU 79 HD23 LEU 79 -16.272 -5.576 -18.627 625 H GLU 80 H GLU 80 -18.218 -5.474 -23.986 626 HA GLU 80 HA GLU 80 -17.758 -2.648 -24.181 627 HB2 GLU 80 HB2 GLU 80 -17.738 -2.799 -26.482 628 HB3 GLU 80 HB3 GLU 80 -16.977 -4.268 -25.888 629 HG2 GLU 80 HG2 GLU 80 -18.932 -5.582 -26.474 630 HG3 GLU 80 HG3 GLU 80 -19.875 -4.139 -26.848 631 H ILE 81 H ILE 81 -20.822 -4.466 -24.375 632 HA ILE 81 HA ILE 81 -22.433 -2.271 -25.305 633 HB ILE 81 HB ILE 81 -23.042 -4.788 -23.730 634 HG12 ILE 81 HG12 ILE 81 -23.860 -3.856 -26.523 635 HG13 ILE 81 HG13 ILE 81 -22.419 -4.807 -26.203 636 HG21 ILE 81 HG21 ILE 81 -24.711 -3.143 -22.953 637 HG22 ILE 81 HG22 ILE 81 -25.069 -2.688 -24.636 638 HG23 ILE 81 HG23 ILE 81 -25.469 -4.306 -24.023 639 HD11 ILE 81 HD11 ILE 81 -24.128 -6.305 -26.955 640 HD12 ILE 81 HD12 ILE 81 -23.864 -6.622 -25.228 641 HD13 ILE 81 HD13 ILE 81 -25.292 -5.706 -25.768 642 H ASN 82 H ASN 82 -21.381 -3.201 -22.015 643 HA ASN 82 HA ASN 82 -22.806 -1.014 -20.730 644 HB2 ASN 82 HB2 ASN 82 -21.855 -3.253 -19.718 645 HB3 ASN 82 HB3 ASN 82 -20.350 -2.376 -19.564 646 HD21 ASN 82 HD21 ASN 82 -22.081 -3.478 -17.467 647 HD22 ASN 82 HD22 ASN 82 -22.582 -2.111 -16.490 648 H GLY 83 H GLY 83 -19.428 -1.461 -21.867 649 HA2 GLY 83 HA2 GLY 83 -18.277 0.997 -21.080 650 HA3 GLY 83 HA3 GLY 83 -17.791 0.027 -22.472 651 H ARG 84 H ARG 84 -20.138 0.237 -24.051 652 HA ARG 84 HA ARG 84 -19.849 2.775 -25.382 653 HB2 ARG 84 HB2 ARG 84 -21.900 0.533 -25.540 654 HB3 ARG 84 HB3 ARG 84 -22.002 1.970 -26.561 655 HG2 ARG 84 HG2 ARG 84 -19.922 1.513 -27.647 656 HG3 ARG 84 HG3 ARG 84 -19.486 0.258 -26.489 657 HD2 ARG 84 HD2 ARG 84 -21.437 -1.104 -27.231 658 HD3 ARG 84 HD3 ARG 84 -21.826 0.115 -28.445 659 HE ARG 84 HE ARG 84 -19.706 -1.918 -28.543 660 HH11 ARG 84 HH11 ARG 84 -19.658 0.831 -31.411 661 HH12 ARG 84 HH12 ARG 84 -20.629 1.152 -30.000 662 HH21 ARG 84 HH21 ARG 84 -18.494 -1.080 -31.567 663 HH22 ARG 84 HH22 ARG 84 -18.594 -2.250 -30.245 664 H ASN 85 H ASN 85 -22.013 1.778 -22.784 665 HA ASN 85 HA ASN 85 -23.616 4.262 -22.956 666 HB2 ASN 85 HB2 ASN 85 -24.605 2.040 -22.315 667 HB3 ASN 85 HB3 ASN 85 -23.585 2.027 -20.878 668 HD21 ASN 85 HD21 ASN 85 -25.349 2.043 -19.410 669 HD22 ASN 85 HD22 ASN 85 -26.384 3.455 -19.248 670 H ASN 86 H ASN 86 -20.996 2.866 -21.008 671 HA ASN 86 HA ASN 86 -20.752 5.092 -19.148 672 HB2 ASN 86 HB2 ASN 86 -20.158 2.477 -18.995 673 HB3 ASN 86 HB3 ASN 86 -18.605 3.013 -19.626 674 HD21 ASN 86 HD21 ASN 86 -17.780 5.099 -18.282 675 HD22 ASN 86 HD22 ASN 86 -17.911 4.876 -16.538 676 H LEU 87 H LEU 87 -20.159 5.175 -22.326 677 HA LEU 87 HA LEU 87 -17.502 5.979 -22.709 678 HB2 LEU 87 HB2 LEU 87 -19.327 5.169 -24.324 679 HB3 LEU 87 HB3 LEU 87 -19.913 6.829 -24.349 680 HG LEU 87 HG LEU 87 -17.636 7.510 -25.278 681 HD11 LEU 87 HD11 LEU 87 -17.265 4.480 -25.455 682 HD12 LEU 87 HD12 LEU 87 -16.237 5.691 -26.249 683 HD13 LEU 87 HD13 LEU 87 -16.275 5.589 -24.486 684 HD21 LEU 87 HD21 LEU 87 -18.074 6.611 -27.520 685 HD22 LEU 87 HD22 LEU 87 -19.172 5.390 -26.832 686 HD23 LEU 87 HD23 LEU 87 -19.579 7.118 -26.737 687 H ILE 88 H ILE 88 -19.734 7.730 -20.962 688 HA ILE 88 HA ILE 88 -19.374 10.431 -21.667 689 HB ILE 88 HB ILE 88 -20.095 10.931 -19.371 690 HG12 ILE 88 HG12 ILE 88 -19.947 7.922 -18.848 691 HG13 ILE 88 HG13 ILE 88 -18.822 9.116 -18.200 692 HG21 ILE 88 HG21 ILE 88 -21.705 8.631 -20.562 693 HG22 ILE 88 HG22 ILE 88 -22.302 9.976 -19.572 694 HG23 ILE 88 HG23 ILE 88 -21.691 10.292 -21.195 695 HD11 ILE 88 HD11 ILE 88 -21.792 8.923 -17.572 696 HD12 ILE 88 HD12 ILE 88 -20.430 8.568 -16.498 697 HD13 ILE 88 HD13 ILE 88 -20.722 10.239 -17.023 698 H GLN 89 H GLN 89 -16.940 8.405 -20.472 699 HA GLN 89 HA GLN 89 -15.258 10.702 -19.562 700 HB2 GLN 89 HB2 GLN 89 -14.066 9.147 -18.145 701 HB3 GLN 89 HB3 GLN 89 -15.786 9.122 -17.776 702 HG2 GLN 89 HG2 GLN 89 -16.063 7.005 -19.012 703 HG3 GLN 89 HG3 GLN 89 -14.369 7.038 -19.507 704 HE21 GLN 89 HE21 GLN 89 -12.742 6.420 -17.970 705 HE22 GLN 89 HE22 GLN 89 -13.191 5.742 -16.412 706 H GLN 90 H GLN 90 -15.685 9.201 -22.352 707 HA GLN 90 HA GLN 90 -13.204 8.062 -23.108 708 HB2 GLN 90 HB2 GLN 90 -15.329 7.782 -24.247 709 HB3 GLN 90 HB3 GLN 90 -15.356 9.461 -24.757 710 HG2 GLN 90 HG2 GLN 90 -13.139 7.525 -25.564 711 HG3 GLN 90 HG3 GLN 90 -14.661 7.603 -26.437 712 HE21 GLN 90 HE21 GLN 90 -12.022 8.179 -27.557 713 HE22 GLN 90 HE22 GLN 90 -12.112 9.850 -28.098 714 H LYS 91 H LYS 91 -14.006 11.435 -22.723 715 HA LYS 91 HA LYS 91 -11.252 12.240 -23.452 716 HB2 LYS 91 HB2 LYS 91 -12.007 14.094 -24.849 717 HB3 LYS 91 HB3 LYS 91 -12.519 12.549 -25.515 718 HG2 LYS 91 HG2 LYS 91 -14.823 12.921 -24.607 719 HG3 LYS 91 HG3 LYS 91 -14.290 14.454 -23.909 720 HD2 LYS 91 HD2 LYS 91 -15.478 14.920 -25.936 721 HD3 LYS 91 HD3 LYS 91 -13.769 15.300 -26.199 722 HE2 LYS 91 HE2 LYS 91 -13.469 13.120 -27.365 723 HE3 LYS 91 HE3 LYS 91 -15.158 12.714 -27.054 724 HZ1 LYS 91 HZ1 LYS 91 -14.236 15.006 -28.710 725 HZ2 LYS 91 HZ2 LYS 91 -14.861 13.614 -29.288 726 HZ3 LYS 91 HZ3 LYS 91 -15.801 14.628 -28.423 727 H ASN 92 H ASN 92 -10.789 14.496 -22.827 728 HA ASN 92 HA ASN 92 -12.369 15.635 -20.600 729 HB2 ASN 92 HB2 ASN 92 -10.893 13.926 -19.547 730 HB3 ASN 92 HB3 ASN 92 -9.485 14.668 -20.307 731 HD21 ASN 92 HD21 ASN 92 -8.834 14.661 -17.926 732 HD22 ASN 92 HD22 ASN 92 -9.297 16.083 -17.000 Start of MODEL 14 1 H MET 1 H MET 1 -12.507 10.547 -26.505 2 HA MET 1 HA MET 1 -11.614 12.626 -27.091 3 HB2 MET 1 HB2 MET 1 -14.463 13.306 -26.250 4 HB3 MET 1 HB3 MET 1 -13.454 14.306 -27.297 5 HG2 MET 1 HG2 MET 1 -14.382 11.481 -27.926 6 HG3 MET 1 HG3 MET 1 -15.065 12.969 -28.570 7 HE1 MET 1 HE1 MET 1 -14.172 10.505 -30.365 8 HE2 MET 1 HE2 MET 1 -14.878 12.003 -31.015 9 HE3 MET 1 HE3 MET 1 -13.378 11.352 -31.712 10 H ALA 2 H ALA 2 -12.057 12.163 -23.853 11 HA ALA 2 HA ALA 2 -11.839 14.787 -22.732 12 HB1 ALA 2 HB1 ALA 2 -12.593 12.795 -21.485 13 HB2 ALA 2 HB2 ALA 2 -10.973 12.075 -21.632 14 HB3 ALA 2 HB3 ALA 2 -11.210 13.556 -20.680 15 H VAL 3 H VAL 3 -10.029 15.740 -21.619 16 HA VAL 3 HA VAL 3 -7.639 15.924 -23.210 17 HB VAL 3 HB VAL 3 -6.815 17.460 -21.476 18 HG11 VAL 3 HG11 VAL 3 -8.319 18.258 -23.265 19 HG12 VAL 3 HG12 VAL 3 -9.723 17.985 -22.210 20 HG13 VAL 3 HG13 VAL 3 -8.495 19.187 -21.768 21 HG21 VAL 3 HG21 VAL 3 -9.392 16.851 -19.953 22 HG22 VAL 3 HG22 VAL 3 -7.751 16.397 -19.437 23 HG23 VAL 3 HG23 VAL 3 -8.198 18.100 -19.565 24 H SER 4 H SER 4 -8.396 13.746 -20.660 25 HA SER 4 HA SER 4 -5.759 12.498 -20.798 26 HB2 SER 4 HB2 SER 4 -5.575 14.331 -19.024 27 HB3 SER 4 HB3 SER 4 -6.760 13.415 -18.074 28 HG SER 4 HG SER 4 -4.539 12.911 -17.576 29 H VAL 5 H VAL 5 -5.760 10.537 -19.248 30 HA VAL 5 HA VAL 5 -7.979 8.825 -19.909 31 HB VAL 5 HB VAL 5 -6.855 7.138 -18.502 32 HG11 VAL 5 HG11 VAL 5 -6.208 7.478 -20.863 33 HG12 VAL 5 HG12 VAL 5 -4.939 8.610 -20.354 34 HG13 VAL 5 HG13 VAL 5 -4.859 6.905 -19.870 35 HG21 VAL 5 HG21 VAL 5 -5.893 8.574 -16.726 36 HG22 VAL 5 HG22 VAL 5 -4.665 7.565 -17.498 37 HG23 VAL 5 HG23 VAL 5 -4.771 9.288 -17.906 38 H THR 6 H THR 6 -9.398 7.652 -18.521 39 HA THR 6 HA THR 6 -10.700 9.287 -16.522 40 HB THR 6 HB THR 6 -12.164 7.208 -16.288 41 HG1 THR 6 HG1 THR 6 -11.930 5.662 -17.851 42 HG21 THR 6 HG21 THR 6 -13.210 7.522 -18.495 43 HG22 THR 6 HG22 THR 6 -12.755 9.075 -17.773 44 HG23 THR 6 HG23 THR 6 -11.771 8.377 -19.079 45 HA PRO 7 HA PRO 7 -8.740 7.818 -12.859 46 HB2 PRO 7 HB2 PRO 7 -10.678 8.000 -10.938 47 HB3 PRO 7 HB3 PRO 7 -9.987 9.432 -11.759 48 HG2 PRO 7 HG2 PRO 7 -12.554 7.961 -12.446 49 HG3 PRO 7 HG3 PRO 7 -12.324 9.723 -12.198 50 HD2 PRO 7 HD2 PRO 7 -12.320 8.622 -14.676 51 HD3 PRO 7 HD3 PRO 7 -11.211 9.961 -14.266 52 H ILE 8 H ILE 8 -8.672 6.168 -11.216 53 HA ILE 8 HA ILE 8 -9.335 3.547 -12.125 54 HB ILE 8 HB ILE 8 -7.290 4.321 -10.944 55 HG12 ILE 8 HG12 ILE 8 -8.499 1.844 -9.672 56 HG13 ILE 8 HG13 ILE 8 -7.884 1.927 -11.324 57 HG21 ILE 8 HG21 ILE 8 -8.822 3.991 -8.343 58 HG22 ILE 8 HG22 ILE 8 -7.148 4.515 -8.568 59 HG23 ILE 8 HG23 ILE 8 -8.466 5.569 -9.081 60 HD11 ILE 8 HD11 ILE 8 -6.271 2.368 -8.778 61 HD12 ILE 8 HD12 ILE 8 -6.193 0.982 -9.876 62 HD13 ILE 8 HD13 ILE 8 -5.641 2.573 -10.432 63 H ARG 9 H ARG 9 -11.670 5.243 -11.464 64 HA ARG 9 HA ARG 9 -13.268 3.259 -9.897 65 HB2 ARG 9 HB2 ARG 9 -13.248 6.288 -9.583 66 HB3 ARG 9 HB3 ARG 9 -14.707 5.355 -9.283 67 HG2 ARG 9 HG2 ARG 9 -13.807 5.508 -7.172 68 HG3 ARG 9 HG3 ARG 9 -13.350 3.890 -7.692 69 HD2 ARG 9 HD2 ARG 9 -11.054 4.922 -8.318 70 HD3 ARG 9 HD3 ARG 9 -11.610 6.386 -7.533 71 HE ARG 9 HE ARG 9 -11.344 5.385 -5.454 72 HH11 ARG 9 HH11 ARG 9 -10.307 2.245 -4.542 73 HH12 ARG 9 HH12 ARG 9 -10.678 3.857 -4.008 74 HH21 ARG 9 HH21 ARG 9 -10.499 1.668 -6.638 75 HH22 ARG 9 HH22 ARG 9 -10.980 2.809 -7.860 76 H ASP 10 H ASP 10 -12.804 4.797 -12.854 77 HA ASP 10 HA ASP 10 -15.549 4.857 -13.805 78 HB2 ASP 10 HB2 ASP 10 -13.676 6.215 -14.715 79 HB3 ASP 10 HB3 ASP 10 -12.886 4.738 -15.272 80 H THR 11 H THR 11 -13.462 2.291 -13.041 81 HA THR 11 HA THR 11 -13.956 0.303 -14.992 82 HB THR 11 HB THR 11 -13.372 -1.283 -13.076 83 HG1 THR 11 HG1 THR 11 -12.645 -0.249 -11.188 84 HG21 THR 11 HG21 THR 11 -11.628 -0.324 -14.566 85 HG22 THR 11 HG22 THR 11 -11.433 1.034 -13.435 86 HG23 THR 11 HG23 THR 11 -11.067 -0.635 -12.923 87 H LYS 12 H LYS 12 -16.392 1.642 -13.085 88 HA LYS 12 HA LYS 12 -17.891 -0.492 -12.090 89 HB2 LYS 12 HB2 LYS 12 -18.333 1.961 -11.841 90 HB3 LYS 12 HB3 LYS 12 -18.989 1.989 -13.485 91 HG2 LYS 12 HG2 LYS 12 -20.774 0.415 -12.815 92 HG3 LYS 12 HG3 LYS 12 -20.059 0.269 -11.197 93 HD2 LYS 12 HD2 LYS 12 -20.457 2.695 -10.813 94 HD3 LYS 12 HD3 LYS 12 -21.187 2.826 -12.429 95 HE2 LYS 12 HE2 LYS 12 -22.920 1.167 -11.778 96 HE3 LYS 12 HE3 LYS 12 -22.184 1.017 -10.177 97 HZ1 LYS 12 HZ1 LYS 12 -22.688 3.373 -9.795 98 HZ2 LYS 12 HZ2 LYS 12 -23.371 3.513 -11.274 99 HZ3 LYS 12 HZ3 LYS 12 -24.058 2.559 -10.143 100 H TRP 13 H TRP 13 -17.626 0.437 -15.494 101 HA TRP 13 HA TRP 13 -19.749 -1.233 -16.481 102 HB2 TRP 13 HB2 TRP 13 -19.251 -0.347 -18.446 103 HB3 TRP 13 HB3 TRP 13 -18.275 0.765 -17.542 104 HD1 TRP 13 HD1 TRP 13 -17.931 -2.457 -19.624 105 HE1 TRP 13 HE1 TRP 13 -15.731 -2.416 -20.908 106 HE3 TRP 13 HE3 TRP 13 -15.889 1.777 -17.589 107 HZ2 TRP 13 HZ2 TRP 13 -13.324 -0.835 -20.970 108 HZ3 TRP 13 HZ3 TRP 13 -13.622 2.513 -18.275 109 HH2 TRP 13 HH2 TRP 13 -12.326 1.220 -19.951 110 H LEU 14 H LEU 14 -16.519 -1.976 -15.516 111 HA LEU 14 HA LEU 14 -16.343 -4.583 -16.866 112 HB2 LEU 14 HB2 LEU 14 -14.504 -3.101 -14.944 113 HB3 LEU 14 HB3 LEU 14 -14.106 -4.591 -15.716 114 HG LEU 14 HG LEU 14 -14.717 -1.995 -17.206 115 HD11 LEU 14 HD11 LEU 14 -12.318 -1.818 -17.550 116 HD12 LEU 14 HD12 LEU 14 -12.673 -1.870 -15.815 117 HD13 LEU 14 HD13 LEU 14 -12.038 -3.315 -16.618 118 HD21 LEU 14 HD21 LEU 14 -13.438 -4.581 -18.220 119 HD22 LEU 14 HD22 LEU 14 -15.077 -4.011 -18.620 120 HD23 LEU 14 HD23 LEU 14 -13.661 -3.092 -19.142 121 H THR 15 H THR 15 -17.698 -3.484 -13.927 122 HA THR 15 HA THR 15 -16.968 -5.768 -12.320 123 HB THR 15 HB THR 15 -19.242 -3.881 -11.717 124 HG1 THR 15 HG1 THR 15 -17.670 -2.638 -10.639 125 HG21 THR 15 HG21 THR 15 -18.488 -4.284 -9.367 126 HG22 THR 15 HG22 THR 15 -19.053 -5.744 -10.177 127 HG23 THR 15 HG23 THR 15 -17.309 -5.468 -9.973 128 H LEU 16 H LEU 16 -17.492 -7.368 -13.784 129 HA LEU 16 HA LEU 16 -20.127 -7.994 -14.792 130 HB2 LEU 16 HB2 LEU 16 -17.423 -8.606 -15.307 131 HB3 LEU 16 HB3 LEU 16 -18.040 -10.119 -14.687 132 HG LEU 16 HG LEU 16 -19.269 -8.548 -16.997 133 HD11 LEU 16 HD11 LEU 16 -18.156 -10.122 -18.449 134 HD12 LEU 16 HD12 LEU 16 -16.942 -9.347 -17.437 135 HD13 LEU 16 HD13 LEU 16 -17.459 -10.999 -17.062 136 HD21 LEU 16 HD21 LEU 16 -20.352 -10.739 -17.541 137 HD22 LEU 16 HD22 LEU 16 -19.742 -11.398 -16.006 138 HD23 LEU 16 HD23 LEU 16 -20.918 -10.063 -16.017 139 H GLU 17 H GLU 17 -21.587 -9.614 -14.059 140 HA GLU 17 HA GLU 17 -21.457 -10.392 -11.257 141 HB2 GLU 17 HB2 GLU 17 -23.250 -11.401 -13.490 142 HB3 GLU 17 HB3 GLU 17 -23.442 -11.716 -11.756 143 HG2 GLU 17 HG2 GLU 17 -23.778 -9.309 -11.351 144 HG3 GLU 17 HG3 GLU 17 -23.585 -8.988 -13.085 145 H VAL 18 H VAL 18 -21.214 -12.458 -10.349 146 HA VAL 18 HA VAL 18 -19.520 -14.340 -11.878 147 HB VAL 18 HB VAL 18 -19.230 -15.579 -9.866 148 HG11 VAL 18 HG11 VAL 18 -17.916 -13.505 -10.165 149 HG12 VAL 18 HG12 VAL 18 -19.081 -12.629 -9.141 150 HG13 VAL 18 HG13 VAL 18 -18.123 -13.962 -8.467 151 HG21 VAL 18 HG21 VAL 18 -21.409 -15.571 -8.824 152 HG22 VAL 18 HG22 VAL 18 -20.237 -14.889 -7.688 153 HG23 VAL 18 HG23 VAL 18 -21.346 -13.824 -8.572 154 H CYS 19 H CYS 19 -20.025 -16.628 -12.117 155 HA CYS 19 HA CYS 19 -22.808 -17.078 -12.817 156 HB2 CYS 19 HB2 CYS 19 -20.927 -18.019 -14.117 157 HB3 CYS 19 HB3 CYS 19 -20.471 -19.000 -12.734 158 H ARG 20 H ARG 20 -24.331 -18.121 -11.745 159 HA ARG 20 HA ARG 20 -24.183 -18.432 -8.875 160 HB2 ARG 20 HB2 ARG 20 -26.340 -19.322 -10.836 161 HB3 ARG 20 HB3 ARG 20 -26.481 -19.306 -9.085 162 HG2 ARG 20 HG2 ARG 20 -27.591 -17.365 -9.789 163 HG3 ARG 20 HG3 ARG 20 -26.054 -16.797 -9.121 164 HD2 ARG 20 HD2 ARG 20 -25.179 -16.329 -11.313 165 HD3 ARG 20 HD3 ARG 20 -26.451 -17.274 -12.102 166 HE ARG 20 HE ARG 20 -28.070 -15.547 -11.400 167 HH11 ARG 20 HH11 ARG 20 -27.189 -12.250 -11.817 168 HH12 ARG 20 HH12 ARG 20 -28.538 -13.380 -11.684 169 HH21 ARG 20 HH21 ARG 20 -25.279 -12.766 -11.721 170 HH22 ARG 20 HH22 ARG 20 -24.670 -14.411 -11.501 171 H GLU 21 H GLU 21 -23.759 -20.730 -11.491 172 HA GLU 21 HA GLU 21 -24.004 -23.031 -9.637 173 HB2 GLU 21 HB2 GLU 21 -23.294 -22.853 -12.581 174 HB3 GLU 21 HB3 GLU 21 -23.479 -24.363 -11.679 175 HG2 GLU 21 HG2 GLU 21 -25.693 -22.291 -12.050 176 HG3 GLU 21 HG3 GLU 21 -25.481 -23.720 -13.053 177 H PHE 22 H PHE 22 -21.539 -21.126 -11.280 178 HA PHE 22 HA PHE 22 -19.252 -22.723 -10.539 179 HB2 PHE 22 HB2 PHE 22 -19.330 -20.931 -12.261 180 HB3 PHE 22 HB3 PHE 22 -19.479 -19.732 -10.989 181 HD1 PHE 22 HD1 PHE 22 -17.544 -18.971 -9.761 182 HD2 PHE 22 HD2 PHE 22 -17.238 -22.268 -12.525 183 HE1 PHE 22 HE1 PHE 22 -15.070 -18.859 -9.624 184 HE2 PHE 22 HE2 PHE 22 -14.758 -22.173 -12.361 185 HZ PHE 22 HZ PHE 22 -13.671 -20.467 -10.910 186 H GLN 23 H GLN 23 -21.220 -20.306 -8.850 187 HA GLN 23 HA GLN 23 -19.524 -19.924 -6.559 188 HB2 GLN 23 HB2 GLN 23 -22.504 -19.631 -7.059 189 HB3 GLN 23 HB3 GLN 23 -21.861 -19.402 -5.447 190 HG2 GLN 23 HG2 GLN 23 -20.819 -17.845 -7.848 191 HG3 GLN 23 HG3 GLN 23 -22.180 -17.306 -6.868 192 HE21 GLN 23 HE21 GLN 23 -21.751 -16.602 -4.641 193 HE22 GLN 23 HE22 GLN 23 -20.101 -16.261 -4.142 194 H ARG 24 H ARG 24 -21.558 -22.591 -7.477 195 HA ARG 24 HA ARG 24 -21.269 -23.897 -4.815 196 HB2 ARG 24 HB2 ARG 24 -22.960 -24.822 -7.167 197 HB3 ARG 24 HB3 ARG 24 -23.080 -25.324 -5.474 198 HG2 ARG 24 HG2 ARG 24 -23.714 -22.915 -4.923 199 HG3 ARG 24 HG3 ARG 24 -23.801 -22.609 -6.659 200 HD2 ARG 24 HD2 ARG 24 -25.476 -24.529 -5.059 201 HD3 ARG 24 HD3 ARG 24 -25.976 -22.992 -5.771 202 HE ARG 24 HE ARG 24 -25.859 -23.960 -8.003 203 HH11 ARG 24 HH11 ARG 24 -26.775 -27.155 -8.658 204 HH12 ARG 24 HH12 ARG 24 -26.553 -25.522 -9.262 205 HH21 ARG 24 HH21 ARG 24 -25.682 -26.412 -5.479 206 HH22 ARG 24 HH22 ARG 24 -26.283 -27.644 -6.554 207 H GLY 25 H GLY 25 -19.647 -23.715 -7.631 208 HA2 GLY 25 HA2 GLY 25 -17.846 -24.853 -8.499 209 HA3 GLY 25 HA3 GLY 25 -17.944 -26.000 -7.158 210 H THR 26 H THR 26 -20.536 -25.333 -9.547 211 HA THR 26 HA THR 26 -20.101 -28.039 -10.747 212 HB THR 26 HB THR 26 -21.633 -28.110 -8.784 213 HG1 THR 26 HG1 THR 26 -22.649 -28.823 -11.315 214 HG21 THR 26 HG21 THR 26 -23.633 -26.675 -10.575 215 HG22 THR 26 HG22 THR 26 -23.911 -27.366 -8.963 216 HG23 THR 26 HG23 THR 26 -22.841 -25.971 -9.151 217 H CYS 27 H CYS 27 -20.139 -24.975 -11.762 218 HA CYS 27 HA CYS 27 -22.130 -24.945 -13.798 219 HB2 CYS 27 HB2 CYS 27 -20.870 -22.943 -12.998 220 HB3 CYS 27 HB3 CYS 27 -19.429 -23.533 -13.837 221 H SER 28 H SER 28 -22.270 -25.824 -15.748 222 HA SER 28 HA SER 28 -20.484 -27.970 -16.564 223 HB2 SER 28 HB2 SER 28 -22.949 -26.834 -17.933 224 HB3 SER 28 HB3 SER 28 -22.165 -28.382 -18.298 225 HG SER 28 HG SER 28 -23.972 -28.644 -16.914 226 H ARG 29 H ARG 29 -19.979 -24.756 -17.071 227 HA ARG 29 HA ARG 29 -18.891 -25.087 -19.863 228 HB2 ARG 29 HB2 ARG 29 -20.236 -22.735 -18.500 229 HB3 ARG 29 HB3 ARG 29 -19.439 -22.640 -20.057 230 HG2 ARG 29 HG2 ARG 29 -21.031 -24.161 -21.081 231 HG3 ARG 29 HG3 ARG 29 -21.813 -24.484 -19.525 232 HD2 ARG 29 HD2 ARG 29 -21.659 -21.762 -20.873 233 HD3 ARG 29 HD3 ARG 29 -23.063 -22.825 -20.926 234 HE ARG 29 HE ARG 29 -22.090 -21.247 -18.587 235 HH11 ARG 29 HH11 ARG 29 -24.420 -22.205 -16.407 236 HH12 ARG 29 HH12 ARG 29 -22.995 -21.253 -16.769 237 HH21 ARG 29 HH21 ARG 29 -24.437 -23.701 -19.533 238 HH22 ARG 29 HH22 ARG 29 -25.257 -23.558 -18.001 239 HA PRO 30 HA PRO 30 -15.095 -23.330 -18.078 240 HB2 PRO 30 HB2 PRO 30 -13.787 -22.599 -20.357 241 HB3 PRO 30 HB3 PRO 30 -13.991 -24.315 -19.894 242 HG2 PRO 30 HG2 PRO 30 -15.694 -22.694 -21.815 243 HG3 PRO 30 HG3 PRO 30 -14.951 -24.303 -22.093 244 HD2 PRO 30 HD2 PRO 30 -17.544 -24.057 -21.299 245 HD3 PRO 30 HD3 PRO 30 -16.512 -25.368 -20.678 246 H ASP 31 H ASP 31 -14.015 -21.125 -18.130 247 HA ASP 31 HA ASP 31 -15.831 -18.970 -17.839 248 HB2 ASP 31 HB2 ASP 31 -13.892 -17.565 -17.664 249 HB3 ASP 31 HB3 ASP 31 -13.579 -19.082 -16.818 250 H THR 32 H THR 32 -14.218 -20.120 -20.709 251 HA THR 32 HA THR 32 -14.661 -17.782 -22.350 252 HB THR 32 HB THR 32 -14.000 -19.308 -24.230 253 HG1 THR 32 HG1 THR 32 -13.224 -21.343 -23.624 254 HG21 THR 32 HG21 THR 32 -12.107 -19.343 -21.846 255 HG22 THR 32 HG22 THR 32 -11.679 -19.518 -23.563 256 HG23 THR 32 HG23 THR 32 -12.324 -17.982 -22.969 257 H GLU 33 H GLU 33 -16.874 -20.158 -21.334 258 HA GLU 33 HA GLU 33 -18.634 -19.773 -23.757 259 HB2 GLU 33 HB2 GLU 33 -18.118 -22.084 -21.883 260 HB3 GLU 33 HB3 GLU 33 -19.593 -22.044 -22.806 261 HG2 GLU 33 HG2 GLU 33 -16.807 -21.986 -24.032 262 HG3 GLU 33 HG3 GLU 33 -17.798 -23.426 -23.798 263 H CYS 34 H CYS 34 -18.587 -19.582 -20.200 264 HA CYS 34 HA CYS 34 -21.424 -19.796 -19.957 265 HB2 CYS 34 HB2 CYS 34 -19.601 -20.315 -18.258 266 HB3 CYS 34 HB3 CYS 34 -19.598 -18.589 -17.874 267 H LYS 35 H LYS 35 -22.746 -18.258 -18.818 268 HA LYS 35 HA LYS 35 -23.047 -15.748 -20.380 269 HB2 LYS 35 HB2 LYS 35 -24.822 -17.156 -18.333 270 HB3 LYS 35 HB3 LYS 35 -25.241 -15.635 -19.136 271 HG2 LYS 35 HG2 LYS 35 -25.046 -16.732 -21.351 272 HG3 LYS 35 HG3 LYS 35 -24.702 -18.280 -20.554 273 HD2 LYS 35 HD2 LYS 35 -26.909 -18.235 -19.458 274 HD3 LYS 35 HD3 LYS 35 -27.253 -16.645 -20.185 275 HE2 LYS 35 HE2 LYS 35 -26.985 -17.624 -22.447 276 HE3 LYS 35 HE3 LYS 35 -26.660 -19.207 -21.731 277 HZ1 LYS 35 HZ1 LYS 35 -28.911 -19.163 -20.778 278 HZ2 LYS 35 HZ2 LYS 35 -29.211 -17.700 -21.444 279 HZ3 LYS 35 HZ3 LYS 35 -28.991 -19.003 -22.399 280 H PHE 36 H PHE 36 -21.705 -16.614 -17.406 281 HA PHE 36 HA PHE 36 -21.484 -13.791 -16.495 282 HB2 PHE 36 HB2 PHE 36 -22.110 -16.163 -14.726 283 HB3 PHE 36 HB3 PHE 36 -21.881 -14.505 -14.186 284 HD1 PHE 36 HD1 PHE 36 -23.516 -12.723 -15.386 285 HD2 PHE 36 HD2 PHE 36 -24.320 -16.922 -14.838 286 HE1 PHE 36 HE1 PHE 36 -25.959 -12.266 -15.469 287 HE2 PHE 36 HE2 PHE 36 -26.761 -16.467 -14.933 288 HZ PHE 36 HZ PHE 36 -27.583 -14.138 -15.244 289 H ALA 37 H ALA 37 -19.706 -13.732 -14.659 290 HA ALA 37 HA ALA 37 -17.325 -14.860 -15.905 291 HB1 ALA 37 HB1 ALA 37 -17.748 -13.060 -13.503 292 HB2 ALA 37 HB2 ALA 37 -16.184 -13.405 -14.287 293 HB3 ALA 37 HB3 ALA 37 -17.447 -12.533 -15.175 294 H HIS 38 H HIS 38 -15.694 -16.029 -14.932 295 HA HIS 38 HA HIS 38 -16.361 -17.718 -12.561 296 HB2 HIS 38 HB2 HIS 38 -15.039 -18.499 -15.191 297 HB3 HIS 38 HB3 HIS 38 -15.030 -19.506 -13.750 298 HD1 HIS 38 HD1 HIS 38 -16.320 -20.720 -16.288 299 HD2 HIS 38 HD2 HIS 38 -18.390 -18.506 -13.379 300 HE1 HIS 38 HE1 HIS 38 -18.786 -21.343 -16.511 301 HA PRO 39 HA PRO 39 -12.466 -15.307 -11.729 302 HB2 PRO 39 HB2 PRO 39 -12.680 -15.326 -8.949 303 HB3 PRO 39 HB3 PRO 39 -13.410 -14.111 -10.022 304 HG2 PRO 39 HG2 PRO 39 -14.664 -16.591 -8.835 305 HG3 PRO 39 HG3 PRO 39 -15.349 -14.940 -8.900 306 HD2 PRO 39 HD2 PRO 39 -16.097 -16.824 -10.679 307 HD3 PRO 39 HD3 PRO 39 -15.833 -15.143 -11.225 308 H SER 40 H SER 40 -10.441 -15.829 -10.932 309 HA SER 40 HA SER 40 -9.831 -18.676 -10.459 310 HB2 SER 40 HB2 SER 40 -7.538 -18.003 -10.711 311 HB3 SER 40 HB3 SER 40 -8.459 -17.162 -11.980 312 HG SER 40 HG SER 40 -6.959 -15.817 -10.756 313 H LYS 41 H LYS 41 -7.825 -18.812 -8.849 314 HA LYS 41 HA LYS 41 -8.697 -18.441 -6.126 315 HB2 LYS 41 HB2 LYS 41 -6.036 -19.143 -7.437 316 HB3 LYS 41 HB3 LYS 41 -6.276 -19.132 -5.678 317 HG2 LYS 41 HG2 LYS 41 -8.076 -20.821 -5.899 318 HG3 LYS 41 HG3 LYS 41 -7.810 -20.882 -7.652 319 HD2 LYS 41 HD2 LYS 41 -5.457 -21.585 -7.266 320 HD3 LYS 41 HD3 LYS 41 -5.733 -21.588 -5.522 321 HE2 LYS 41 HE2 LYS 41 -7.252 -23.305 -7.545 322 HE3 LYS 41 HE3 LYS 41 -5.841 -23.848 -6.634 323 HZ1 LYS 41 HZ1 LYS 41 -7.872 -24.544 -5.539 324 HZ2 LYS 41 HZ2 LYS 41 -7.097 -23.481 -4.576 325 HZ3 LYS 41 HZ3 LYS 41 -8.420 -23.014 -5.418 326 H SER 42 H SER 42 -7.103 -16.233 -8.299 327 HA SER 42 HA SER 42 -6.203 -14.495 -6.040 328 HB2 SER 42 HB2 SER 42 -4.729 -13.425 -7.704 329 HB3 SER 42 HB3 SER 42 -4.406 -15.150 -7.496 330 HG SER 42 HG SER 42 -5.240 -13.770 -9.703 331 H CYS 43 H CYS 43 -8.542 -14.571 -8.675 332 HA CYS 43 HA CYS 43 -8.876 -11.776 -9.018 333 HB2 CYS 43 HB2 CYS 43 -10.775 -14.108 -9.433 334 HB3 CYS 43 HB3 CYS 43 -11.123 -12.442 -9.931 335 HG CYS 43 HG CYS 43 -8.475 -14.275 -10.769 336 H GLN 44 H GLN 44 -10.098 -10.232 -8.120 337 HA GLN 44 HA GLN 44 -11.076 -10.569 -5.381 338 HB2 GLN 44 HB2 GLN 44 -10.954 -8.270 -7.375 339 HB3 GLN 44 HB3 GLN 44 -11.667 -8.089 -5.764 340 HG2 GLN 44 HG2 GLN 44 -9.627 -8.541 -4.654 341 HG3 GLN 44 HG3 GLN 44 -8.852 -9.157 -6.115 342 HE21 GLN 44 HE21 GLN 44 -8.936 -7.411 -8.046 343 HE22 GLN 44 HE22 GLN 44 -8.416 -5.805 -7.538 344 H VAL 45 H VAL 45 -13.126 -10.669 -4.671 345 HA VAL 45 HA VAL 45 -15.372 -10.467 -6.618 346 HB VAL 45 HB VAL 45 -15.273 -12.485 -4.358 347 HG11 VAL 45 HG11 VAL 45 -17.119 -13.577 -5.591 348 HG12 VAL 45 HG12 VAL 45 -17.535 -11.924 -5.144 349 HG13 VAL 45 HG13 VAL 45 -17.058 -12.293 -6.814 350 HG21 VAL 45 HG21 VAL 45 -13.503 -13.193 -5.894 351 HG22 VAL 45 HG22 VAL 45 -14.879 -14.290 -5.952 352 HG23 VAL 45 HG23 VAL 45 -14.640 -13.120 -7.254 353 H GLU 46 H GLU 46 -17.123 -9.339 -5.903 354 HA GLU 46 HA GLU 46 -17.547 -8.780 -3.015 355 HB2 GLU 46 HB2 GLU 46 -17.205 -6.601 -5.125 356 HB3 GLU 46 HB3 GLU 46 -17.910 -6.360 -3.525 357 HG2 GLU 46 HG2 GLU 46 -15.751 -7.160 -2.502 358 HG3 GLU 46 HG3 GLU 46 -15.043 -7.177 -4.124 359 H ASN 47 H ASN 47 -19.643 -8.800 -2.516 360 HA ASN 47 HA ASN 47 -21.838 -9.310 -2.710 361 HB2 ASN 47 HB2 ASN 47 -21.481 -6.779 -2.660 362 HB3 ASN 47 HB3 ASN 47 -21.822 -6.795 -4.395 363 HD21 ASN 47 HD21 ASN 47 -23.726 -5.507 -4.170 364 HD22 ASN 47 HD22 ASN 47 -25.170 -6.150 -3.401 365 H GLY 48 H GLY 48 -20.616 -10.918 -4.677 366 HA2 GLY 48 HA2 GLY 48 -21.561 -12.450 -6.189 367 HA3 GLY 48 HA3 GLY 48 -22.943 -11.377 -6.426 368 H ARG 49 H ARG 49 -19.888 -9.817 -6.821 369 HA ARG 49 HA ARG 49 -19.811 -10.251 -9.767 370 HB2 ARG 49 HB2 ARG 49 -19.657 -7.497 -8.468 371 HB3 ARG 49 HB3 ARG 49 -19.622 -7.906 -10.181 372 HG2 ARG 49 HG2 ARG 49 -21.990 -8.820 -9.905 373 HG3 ARG 49 HG3 ARG 49 -22.002 -8.072 -8.296 374 HD2 ARG 49 HD2 ARG 49 -21.631 -5.870 -9.262 375 HD3 ARG 49 HD3 ARG 49 -21.289 -6.589 -10.840 376 HE ARG 49 HE ARG 49 -23.994 -6.723 -9.575 377 HH11 ARG 49 HH11 ARG 49 -23.487 -5.800 -13.429 378 HH12 ARG 49 HH12 ARG 49 -22.057 -6.036 -12.462 379 HH21 ARG 49 HH21 ARG 49 -25.490 -6.061 -12.592 380 HH22 ARG 49 HH22 ARG 49 -25.729 -6.419 -10.911 381 H VAL 50 H VAL 50 -17.959 -9.417 -10.777 382 HA VAL 50 HA VAL 50 -15.418 -9.304 -9.203 383 HB VAL 50 HB VAL 50 -14.429 -10.731 -11.039 384 HG11 VAL 50 HG11 VAL 50 -16.422 -11.944 -9.105 385 HG12 VAL 50 HG12 VAL 50 -15.278 -12.896 -10.058 386 HG13 VAL 50 HG13 VAL 50 -14.679 -11.703 -8.903 387 HG21 VAL 50 HG21 VAL 50 -16.262 -10.707 -12.718 388 HG22 VAL 50 HG22 VAL 50 -15.838 -12.345 -12.208 389 HG23 VAL 50 HG23 VAL 50 -17.308 -11.592 -11.587 390 H ILE 51 H ILE 51 -13.868 -7.908 -10.138 391 HA ILE 51 HA ILE 51 -14.839 -6.195 -12.376 392 HB ILE 51 HB ILE 51 -12.475 -5.872 -10.494 393 HG12 ILE 51 HG12 ILE 51 -15.215 -4.579 -10.635 394 HG13 ILE 51 HG13 ILE 51 -14.609 -5.647 -9.367 395 HG21 ILE 51 HG21 ILE 51 -13.597 -3.936 -12.587 396 HG22 ILE 51 HG22 ILE 51 -12.271 -3.593 -11.455 397 HG23 ILE 51 HG23 ILE 51 -12.035 -4.782 -12.710 398 HD11 ILE 51 HD11 ILE 51 -13.728 -2.797 -9.907 399 HD12 ILE 51 HD12 ILE 51 -14.610 -3.433 -8.514 400 HD13 ILE 51 HD13 ILE 51 -12.912 -3.901 -8.764 401 H ALA 52 H ALA 52 -13.778 -6.040 -14.370 402 HA ALA 52 HA ALA 52 -12.052 -8.331 -15.058 403 HB1 ALA 52 HB1 ALA 52 -13.416 -6.314 -16.857 404 HB2 ALA 52 HB2 ALA 52 -12.594 -7.794 -17.359 405 HB3 ALA 52 HB3 ALA 52 -14.073 -7.889 -16.383 406 H CYS 53 H CYS 53 -10.140 -8.162 -16.259 407 HA CYS 53 HA CYS 53 -8.302 -6.229 -15.237 408 HB2 CYS 53 HB2 CYS 53 -7.991 -8.761 -15.833 409 HB3 CYS 53 HB3 CYS 53 -7.704 -8.188 -17.470 410 H PHE 54 H PHE 54 -8.946 -4.183 -15.934 411 HA PHE 54 HA PHE 54 -9.498 -3.378 -18.595 412 HB2 PHE 54 HB2 PHE 54 -8.878 -1.084 -17.801 413 HB3 PHE 54 HB3 PHE 54 -10.093 -1.901 -16.844 414 HD1 PHE 54 HD1 PHE 54 -6.562 -0.757 -16.883 415 HD2 PHE 54 HD2 PHE 54 -9.736 -2.496 -14.531 416 HE1 PHE 54 HE1 PHE 54 -5.216 -0.433 -14.842 417 HE2 PHE 54 HE2 PHE 54 -8.418 -2.118 -12.473 418 HZ PHE 54 HZ PHE 54 -6.144 -1.089 -12.612 419 H ASP 55 H ASP 55 -6.352 -3.696 -16.949 420 HA ASP 55 HA ASP 55 -4.758 -2.429 -18.951 421 HB2 ASP 55 HB2 ASP 55 -4.041 -4.698 -17.059 422 HB3 ASP 55 HB3 ASP 55 -2.900 -3.822 -18.049 423 H SER 56 H SER 56 -6.211 -5.699 -18.908 424 HA SER 56 HA SER 56 -4.630 -6.676 -21.145 425 HB2 SER 56 HB2 SER 56 -5.618 -8.214 -19.572 426 HB3 SER 56 HB3 SER 56 -7.251 -7.673 -19.959 427 HG SER 56 HG SER 56 -6.611 -9.593 -21.088 428 H LEU 57 H LEU 57 -7.836 -5.108 -20.846 429 HA LEU 57 HA LEU 57 -8.490 -5.200 -23.669 430 HB2 LEU 57 HB2 LEU 57 -9.444 -3.540 -21.307 431 HB3 LEU 57 HB3 LEU 57 -10.051 -3.245 -22.930 432 HG LEU 57 HG LEU 57 -10.255 -5.950 -21.562 433 HD11 LEU 57 HD11 LEU 57 -12.624 -5.322 -21.126 434 HD12 LEU 57 HD12 LEU 57 -11.496 -4.257 -20.275 435 HD13 LEU 57 HD13 LEU 57 -12.300 -3.693 -21.756 436 HD21 LEU 57 HD21 LEU 57 -10.474 -6.079 -24.009 437 HD22 LEU 57 HD22 LEU 57 -12.044 -6.337 -23.243 438 HD23 LEU 57 HD23 LEU 57 -11.675 -4.767 -23.987 439 H LYS 58 H LYS 58 -6.854 -2.771 -21.637 440 HA LYS 58 HA LYS 58 -6.589 -0.818 -23.801 441 HB2 LYS 58 HB2 LYS 58 -5.369 -0.991 -21.011 442 HB3 LYS 58 HB3 LYS 58 -5.181 0.393 -22.074 443 HG2 LYS 58 HG2 LYS 58 -7.817 -0.642 -20.957 444 HG3 LYS 58 HG3 LYS 58 -6.928 0.754 -20.377 445 HD2 LYS 58 HD2 LYS 58 -8.332 0.427 -23.059 446 HD3 LYS 58 HD3 LYS 58 -8.836 1.448 -21.728 447 HE2 LYS 58 HE2 LYS 58 -6.279 1.825 -23.361 448 HE3 LYS 58 HE3 LYS 58 -7.791 2.689 -23.626 449 HZ1 LYS 58 HZ1 LYS 58 -6.285 4.007 -22.280 450 HZ2 LYS 58 HZ2 LYS 58 -7.594 3.623 -21.385 451 HZ3 LYS 58 HZ3 LYS 58 -6.173 2.849 -21.138 452 H GLY 59 H GLY 59 -4.828 -3.622 -23.205 453 HA2 GLY 59 HA2 GLY 59 -2.947 -4.448 -24.325 454 HA3 GLY 59 HA3 GLY 59 -2.793 -2.913 -25.192 455 H ARG 60 H ARG 60 -2.735 -3.769 -21.738 456 HA ARG 60 HA ARG 60 0.036 -2.686 -21.396 457 HB2 ARG 60 HB2 ARG 60 -2.151 -1.146 -20.846 458 HB3 ARG 60 HB3 ARG 60 -2.166 -2.102 -19.385 459 HG2 ARG 60 HG2 ARG 60 -0.885 -0.359 -18.685 460 HG3 ARG 60 HG3 ARG 60 0.400 -1.415 -19.244 461 HD2 ARG 60 HD2 ARG 60 -0.780 1.035 -20.609 462 HD3 ARG 60 HD3 ARG 60 0.883 0.782 -20.079 463 HE ARG 60 HE ARG 60 -0.325 -0.859 -22.289 464 HH11 ARG 60 HH11 ARG 60 3.036 1.155 -22.952 465 HH12 ARG 60 HH12 ARG 60 2.201 1.430 -21.446 466 HH21 ARG 60 HH21 ARG 60 2.219 -0.297 -24.437 467 HH22 ARG 60 HH22 ARG 60 0.752 -1.187 -24.075 468 H CYS 61 H CYS 61 -2.290 -5.088 -20.356 469 HA CYS 61 HA CYS 61 -1.308 -5.611 -17.845 470 HB2 CYS 61 HB2 CYS 61 -3.405 -6.508 -18.894 471 HB3 CYS 61 HB3 CYS 61 -2.434 -7.771 -19.660 472 H SER 62 H SER 62 0.497 -6.053 -17.107 473 HA SER 62 HA SER 62 2.319 -8.172 -18.122 474 HB2 SER 62 HB2 SER 62 3.264 -5.382 -17.324 475 HB3 SER 62 HB3 SER 62 4.272 -6.729 -17.870 476 HG SER 62 HG SER 62 2.343 -5.272 -19.372 477 H ARG 63 H ARG 63 0.393 -7.510 -15.800 478 HA ARG 63 HA ARG 63 1.786 -7.126 -13.356 479 HB2 ARG 63 HB2 ARG 63 -0.766 -6.984 -14.160 480 HB3 ARG 63 HB3 ARG 63 -0.839 -8.628 -13.531 481 HG2 ARG 63 HG2 ARG 63 -0.030 -7.764 -11.316 482 HG3 ARG 63 HG3 ARG 63 0.020 -6.128 -11.992 483 HD2 ARG 63 HD2 ARG 63 -2.436 -7.884 -11.626 484 HD3 ARG 63 HD3 ARG 63 -2.021 -6.463 -10.686 485 HE ARG 63 HE ARG 63 -2.457 -5.045 -12.635 486 HH11 ARG 63 HH11 ARG 63 -4.829 -6.023 -14.990 487 HH12 ARG 63 HH12 ARG 63 -3.916 -4.614 -14.435 488 HH21 ARG 63 HH21 ARG 63 -4.598 -7.812 -14.461 489 HH22 ARG 63 HH22 ARG 63 -3.470 -8.398 -13.371 490 H GLU 64 H GLU 64 2.501 -8.466 -11.767 491 HA GLU 64 HA GLU 64 3.550 -11.035 -12.459 492 HB2 GLU 64 HB2 GLU 64 3.108 -9.914 -9.659 493 HB3 GLU 64 HB3 GLU 64 4.207 -11.198 -10.143 494 HG2 GLU 64 HG2 GLU 64 5.744 -9.565 -10.102 495 HG3 GLU 64 HG3 GLU 64 5.195 -9.259 -11.742 496 H ASN 65 H ASN 65 0.587 -10.120 -10.797 497 HA ASN 65 HA ASN 65 -0.610 -12.805 -11.088 498 HB2 ASN 65 HB2 ASN 65 -0.037 -11.445 -8.421 499 HB3 ASN 65 HB3 ASN 65 -1.337 -12.614 -8.615 500 HD21 ASN 65 HD21 ASN 65 1.871 -12.359 -7.685 501 HD22 ASN 65 HD22 ASN 65 2.305 -14.045 -7.924 502 H CYS 66 H CYS 66 -2.415 -12.174 -12.243 503 HA CYS 66 HA CYS 66 -3.673 -9.610 -11.906 504 HB2 CYS 66 HB2 CYS 66 -4.494 -12.172 -13.335 505 HB3 CYS 66 HB3 CYS 66 -5.512 -10.736 -13.290 506 H LYS 67 H LYS 67 -5.370 -8.995 -10.815 507 HA LYS 67 HA LYS 67 -6.769 -10.878 -8.955 508 HB2 LYS 67 HB2 LYS 67 -6.481 -7.896 -8.528 509 HB3 LYS 67 HB3 LYS 67 -6.993 -9.155 -7.387 510 HG2 LYS 67 HG2 LYS 67 -4.620 -10.114 -7.621 511 HG3 LYS 67 HG3 LYS 67 -4.210 -8.607 -8.460 512 HD2 LYS 67 HD2 LYS 67 -5.255 -8.876 -5.602 513 HD3 LYS 67 HD3 LYS 67 -3.592 -8.504 -6.078 514 HE2 LYS 67 HE2 LYS 67 -4.376 -6.394 -7.151 515 HE3 LYS 67 HE3 LYS 67 -6.033 -6.758 -6.647 516 HZ1 LYS 67 HZ1 LYS 67 -4.949 -5.253 -5.084 517 HZ2 LYS 67 HZ2 LYS 67 -5.288 -6.658 -4.331 518 HZ3 LYS 67 HZ3 LYS 67 -3.755 -6.324 -4.790 519 H TYR 68 H TYR 68 -7.207 -9.855 -11.781 520 HA TYR 68 HA TYR 68 -10.074 -9.093 -11.629 521 HB2 TYR 68 HB2 TYR 68 -7.937 -7.891 -13.425 522 HB3 TYR 68 HB3 TYR 68 -9.633 -7.448 -13.331 523 HD1 TYR 68 HD1 TYR 68 -10.532 -6.243 -11.359 524 HD2 TYR 68 HD2 TYR 68 -6.318 -7.025 -11.815 525 HE1 TYR 68 HE1 TYR 68 -10.025 -4.544 -9.599 526 HE2 TYR 68 HE2 TYR 68 -5.810 -5.345 -10.061 527 HH TYR 68 HH TYR 68 -6.669 -3.819 -8.570 528 H LEU 69 H LEU 69 -11.305 -9.738 -13.409 529 HA LEU 69 HA LEU 69 -10.531 -12.231 -14.678 530 HB2 LEU 69 HB2 LEU 69 -12.948 -10.403 -14.655 531 HB3 LEU 69 HB3 LEU 69 -12.834 -11.585 -15.931 532 HG LEU 69 HG LEU 69 -14.213 -12.273 -14.019 533 HD11 LEU 69 HD11 LEU 69 -11.805 -14.073 -14.518 534 HD12 LEU 69 HD12 LEU 69 -13.402 -14.571 -13.923 535 HD13 LEU 69 HD13 LEU 69 -13.233 -13.933 -15.566 536 HD21 LEU 69 HD21 LEU 69 -13.301 -12.971 -11.942 537 HD22 LEU 69 HD22 LEU 69 -11.636 -12.728 -12.502 538 HD23 LEU 69 HD23 LEU 69 -12.682 -11.329 -12.224 539 H HIS 70 H HIS 70 -9.421 -12.509 -16.581 540 HA HIS 70 HA HIS 70 -9.053 -10.298 -18.479 541 HB2 HIS 70 HB2 HIS 70 -8.225 -13.171 -18.393 542 HB3 HIS 70 HB3 HIS 70 -8.279 -12.353 -19.943 543 HD1 HIS 70 HD1 HIS 70 -5.752 -12.015 -20.436 544 HD2 HIS 70 HD2 HIS 70 -7.022 -10.654 -16.658 545 HE1 HIS 70 HE1 HIS 70 -3.859 -10.575 -19.493 546 HA PRO 71 HA PRO 71 -13.247 -10.798 -19.990 547 HB2 PRO 71 HB2 PRO 71 -12.011 -9.430 -22.387 548 HB3 PRO 71 HB3 PRO 71 -13.624 -9.186 -21.650 549 HG2 PRO 71 HG2 PRO 71 -11.624 -7.530 -21.012 550 HG3 PRO 71 HG3 PRO 71 -12.610 -8.204 -19.681 551 HD2 PRO 71 HD2 PRO 71 -9.897 -9.153 -20.671 552 HD3 PRO 71 HD3 PRO 71 -10.444 -8.851 -19.002 553 HA PRO 72 HA PRO 72 -12.563 -14.452 -22.646 554 HB2 PRO 72 HB2 PRO 72 -14.936 -15.748 -22.125 555 HB3 PRO 72 HB3 PRO 72 -13.532 -15.790 -21.005 556 HG2 PRO 72 HG2 PRO 72 -16.018 -14.111 -20.910 557 HG3 PRO 72 HG3 PRO 72 -15.184 -14.920 -19.552 558 HD2 PRO 72 HD2 PRO 72 -14.889 -12.233 -20.151 559 HD3 PRO 72 HD3 PRO 72 -13.625 -13.211 -19.357 560 HA PRO 73 HA PRO 73 -14.543 -13.008 -26.287 561 HB2 PRO 73 HB2 PRO 73 -15.207 -15.347 -27.675 562 HB3 PRO 73 HB3 PRO 73 -13.601 -14.563 -27.612 563 HG2 PRO 73 HG2 PRO 73 -14.633 -16.853 -25.930 564 HG3 PRO 73 HG3 PRO 73 -13.040 -16.692 -26.738 565 HD2 PRO 73 HD2 PRO 73 -13.310 -16.177 -24.113 566 HD3 PRO 73 HD3 PRO 73 -12.295 -15.099 -25.127 567 H HIS 74 H HIS 74 -16.467 -15.453 -24.544 568 HA HIS 74 HA HIS 74 -18.968 -14.617 -25.783 569 HB2 HIS 74 HB2 HIS 74 -18.407 -16.934 -24.900 570 HB3 HIS 74 HB3 HIS 74 -18.565 -16.293 -23.264 571 HD1 HIS 74 HD1 HIS 74 -20.975 -16.604 -22.324 572 HD2 HIS 74 HD2 HIS 74 -20.735 -16.508 -26.541 573 HE1 HIS 74 HE1 HIS 74 -23.360 -17.056 -23.206 574 HE2 HIS 74 HE2 HIS 74 -23.202 -16.991 -25.777 575 H LEU 75 H LEU 75 -17.143 -13.174 -23.271 576 HA LEU 75 HA LEU 75 -19.560 -11.642 -22.364 577 HB2 LEU 75 HB2 LEU 75 -17.014 -12.139 -20.812 578 HB3 LEU 75 HB3 LEU 75 -18.394 -11.192 -20.293 579 HG LEU 75 HG LEU 75 -18.494 -14.191 -20.817 580 HD11 LEU 75 HD11 LEU 75 -17.173 -13.427 -18.774 581 HD12 LEU 75 HD12 LEU 75 -18.673 -12.688 -18.176 582 HD13 LEU 75 HD13 LEU 75 -18.581 -14.441 -18.444 583 HD21 LEU 75 HD21 LEU 75 -20.684 -14.024 -19.679 584 HD22 LEU 75 HD22 LEU 75 -20.544 -12.248 -19.686 585 HD23 LEU 75 HD23 LEU 75 -20.673 -13.153 -21.212 586 H LYS 76 H LYS 76 -16.537 -11.304 -24.034 587 HA LYS 76 HA LYS 76 -15.998 -8.543 -23.525 588 HB2 LYS 76 HB2 LYS 76 -15.609 -10.301 -25.966 589 HB3 LYS 76 HB3 LYS 76 -15.228 -8.567 -25.987 590 HG2 LYS 76 HG2 LYS 76 -13.618 -8.800 -24.184 591 HG3 LYS 76 HG3 LYS 76 -14.100 -10.471 -23.882 592 HD2 LYS 76 HD2 LYS 76 -11.990 -10.440 -25.038 593 HD3 LYS 76 HD3 LYS 76 -13.223 -11.159 -26.077 594 HE2 LYS 76 HE2 LYS 76 -13.444 -9.002 -27.306 595 HE3 LYS 76 HE3 LYS 76 -12.248 -8.264 -26.231 596 HZ1 LYS 76 HZ1 LYS 76 -11.713 -10.538 -28.072 597 HZ2 LYS 76 HZ2 LYS 76 -11.234 -8.999 -28.310 598 HZ3 LYS 76 HZ3 LYS 76 -10.606 -9.861 -27.076 599 H THR 77 H THR 77 -18.557 -10.049 -25.466 600 HA THR 77 HA THR 77 -19.565 -7.697 -26.756 601 HB THR 77 HB THR 77 -21.167 -10.102 -25.803 602 HG1 THR 77 HG1 THR 77 -20.602 -11.008 -27.802 603 HG21 THR 77 HG21 THR 77 -22.473 -9.675 -27.884 604 HG22 THR 77 HG22 THR 77 -22.552 -8.309 -26.767 605 HG23 THR 77 HG23 THR 77 -21.489 -8.224 -28.192 606 H GLN 78 H GLN 78 -20.307 -9.147 -23.532 607 HA GLN 78 HA GLN 78 -22.377 -7.222 -22.862 608 HB2 GLN 78 HB2 GLN 78 -20.617 -9.008 -21.115 609 HB3 GLN 78 HB3 GLN 78 -21.966 -8.021 -20.540 610 HG2 GLN 78 HG2 GLN 78 -23.509 -9.344 -22.026 611 HG3 GLN 78 HG3 GLN 78 -22.138 -10.365 -22.475 612 HE21 GLN 78 HE21 GLN 78 -23.452 -12.199 -21.569 613 HE22 GLN 78 HE22 GLN 78 -23.408 -12.436 -19.823 614 H LEU 79 H LEU 79 -18.870 -7.494 -22.084 615 HA LEU 79 HA LEU 79 -18.731 -5.045 -20.597 616 HB2 LEU 79 HB2 LEU 79 -16.554 -6.516 -22.135 617 HB3 LEU 79 HB3 LEU 79 -16.285 -5.191 -21.003 618 HG LEU 79 HG LEU 79 -17.377 -7.958 -20.339 619 HD11 LEU 79 HD11 LEU 79 -14.937 -7.677 -20.686 620 HD12 LEU 79 HD12 LEU 79 -14.903 -6.459 -19.396 621 HD13 LEU 79 HD13 LEU 79 -15.349 -8.142 -19.024 622 HD21 LEU 79 HD21 LEU 79 -18.613 -6.531 -18.896 623 HD22 LEU 79 HD22 LEU 79 -17.238 -7.074 -17.927 624 HD23 LEU 79 HD23 LEU 79 -17.226 -5.449 -18.646 625 H GLU 80 H GLU 80 -18.307 -5.582 -24.096 626 HA GLU 80 HA GLU 80 -17.491 -2.993 -24.944 627 HB2 GLU 80 HB2 GLU 80 -19.139 -5.256 -26.082 628 HB3 GLU 80 HB3 GLU 80 -19.312 -3.709 -26.872 629 HG2 GLU 80 HG2 GLU 80 -16.735 -5.250 -26.560 630 HG3 GLU 80 HG3 GLU 80 -17.803 -5.192 -27.974 631 H ILE 81 H ILE 81 -20.760 -4.296 -24.577 632 HA ILE 81 HA ILE 81 -22.161 -1.867 -25.159 633 HB ILE 81 HB ILE 81 -22.916 -4.593 -24.068 634 HG12 ILE 81 HG12 ILE 81 -23.472 -3.277 -26.781 635 HG13 ILE 81 HG13 ILE 81 -21.997 -4.168 -26.477 636 HG21 ILE 81 HG21 ILE 81 -25.277 -4.035 -24.577 637 HG22 ILE 81 HG22 ILE 81 -24.641 -3.063 -23.250 638 HG23 ILE 81 HG23 ILE 81 -24.814 -2.342 -24.870 639 HD11 ILE 81 HD11 ILE 81 -24.765 -5.305 -26.633 640 HD12 ILE 81 HD12 ILE 81 -23.277 -5.694 -27.552 641 HD13 ILE 81 HD13 ILE 81 -23.416 -6.177 -25.860 642 H ASN 82 H ASN 82 -21.189 -3.372 -22.064 643 HA ASN 82 HA ASN 82 -22.525 -1.458 -20.358 644 HB2 ASN 82 HB2 ASN 82 -20.005 -3.135 -19.956 645 HB3 ASN 82 HB3 ASN 82 -20.711 -2.114 -18.715 646 HD21 ASN 82 HD21 ASN 82 -20.367 -4.463 -17.875 647 HD22 ASN 82 HD22 ASN 82 -21.862 -5.405 -17.868 648 H GLY 83 H GLY 83 -19.241 -1.493 -21.861 649 HA2 GLY 83 HA2 GLY 83 -18.260 0.927 -20.713 650 HA3 GLY 83 HA3 GLY 83 -17.696 0.164 -22.206 651 H ARG 84 H ARG 84 -19.887 0.314 -23.843 652 HA ARG 84 HA ARG 84 -19.931 3.011 -24.830 653 HB2 ARG 84 HB2 ARG 84 -21.719 0.594 -25.318 654 HB3 ARG 84 HB3 ARG 84 -21.902 2.113 -26.203 655 HG2 ARG 84 HG2 ARG 84 -19.749 1.943 -27.215 656 HG3 ARG 84 HG3 ARG 84 -19.222 0.673 -26.113 657 HD2 ARG 84 HD2 ARG 84 -20.957 -0.854 -27.064 658 HD3 ARG 84 HD3 ARG 84 -21.375 0.383 -28.249 659 HE ARG 84 HE ARG 84 -18.891 -1.266 -28.120 660 HH11 ARG 84 HH11 ARG 84 -17.705 -0.341 -31.121 661 HH12 ARG 84 HH12 ARG 84 -17.602 -1.391 -29.701 662 HH21 ARG 84 HH21 ARG 84 -19.327 1.218 -31.189 663 HH22 ARG 84 HH22 ARG 84 -20.449 1.368 -29.863 664 H ASN 85 H ASN 85 -22.152 1.320 -22.625 665 HA ASN 85 HA ASN 85 -24.038 3.534 -22.447 666 HB2 ASN 85 HB2 ASN 85 -24.681 1.187 -22.025 667 HB3 ASN 85 HB3 ASN 85 -23.571 1.103 -20.659 668 HD21 ASN 85 HD21 ASN 85 -24.505 1.491 -18.669 669 HD22 ASN 85 HD22 ASN 85 -25.991 2.403 -18.454 670 H ASN 86 H ASN 86 -21.303 2.409 -20.382 671 HA ASN 86 HA ASN 86 -21.573 4.277 -18.268 672 HB2 ASN 86 HB2 ASN 86 -20.212 2.246 -18.164 673 HB3 ASN 86 HB3 ASN 86 -19.130 2.862 -19.421 674 HD21 ASN 86 HD21 ASN 86 -17.333 3.994 -18.760 675 HD22 ASN 86 HD22 ASN 86 -17.104 4.621 -17.137 676 H LEU 87 H LEU 87 -20.106 4.709 -21.442 677 HA LEU 87 HA LEU 87 -18.408 6.840 -21.088 678 HB2 LEU 87 HB2 LEU 87 -18.814 5.491 -23.153 679 HB3 LEU 87 HB3 LEU 87 -20.313 6.383 -23.414 680 HG LEU 87 HG LEU 87 -19.025 8.479 -23.718 681 HD11 LEU 87 HD11 LEU 87 -16.545 8.344 -24.003 682 HD12 LEU 87 HD12 LEU 87 -17.044 8.056 -22.337 683 HD13 LEU 87 HD13 LEU 87 -16.584 6.682 -23.367 684 HD21 LEU 87 HD21 LEU 87 -18.016 6.169 -25.421 685 HD22 LEU 87 HD22 LEU 87 -19.548 7.041 -25.649 686 HD23 LEU 87 HD23 LEU 87 -18.009 7.889 -25.870 687 H ILE 88 H ILE 88 -21.907 7.062 -20.894 688 HA ILE 88 HA ILE 88 -22.322 9.817 -21.340 689 HB ILE 88 HB ILE 88 -24.319 9.606 -19.966 690 HG12 ILE 88 HG12 ILE 88 -23.102 6.981 -19.033 691 HG13 ILE 88 HG13 ILE 88 -23.616 8.356 -18.071 692 HG21 ILE 88 HG21 ILE 88 -23.940 7.140 -21.709 693 HG22 ILE 88 HG22 ILE 88 -25.457 7.980 -21.338 694 HG23 ILE 88 HG23 ILE 88 -24.227 8.783 -22.315 695 HD11 ILE 88 HD11 ILE 88 -25.990 7.873 -18.679 696 HD12 ILE 88 HD12 ILE 88 -25.431 6.408 -19.533 697 HD13 ILE 88 HD13 ILE 88 -25.183 6.560 -17.791 698 H GLN 89 H GLN 89 -20.904 8.251 -18.484 699 HA GLN 89 HA GLN 89 -21.104 10.437 -16.657 700 HB2 GLN 89 HB2 GLN 89 -20.520 8.043 -16.141 701 HB3 GLN 89 HB3 GLN 89 -18.939 8.306 -16.882 702 HG2 GLN 89 HG2 GLN 89 -18.530 10.135 -15.155 703 HG3 GLN 89 HG3 GLN 89 -20.067 9.691 -14.403 704 HE21 GLN 89 HE21 GLN 89 -16.846 8.425 -15.347 705 HE22 GLN 89 HE22 GLN 89 -16.787 7.198 -14.083 706 H GLN 90 H GLN 90 -18.884 9.824 -19.325 707 HA GLN 90 HA GLN 90 -17.129 12.119 -18.636 708 HB2 GLN 90 HB2 GLN 90 -16.959 9.763 -20.545 709 HB3 GLN 90 HB3 GLN 90 -15.949 11.179 -20.775 710 HG2 GLN 90 HG2 GLN 90 -14.643 9.648 -19.574 711 HG3 GLN 90 HG3 GLN 90 -15.048 10.951 -18.472 712 HE21 GLN 90 HE21 GLN 90 -15.685 7.508 -19.251 713 HE22 GLN 90 HE22 GLN 90 -16.252 7.110 -17.636 714 H LYS 91 H LYS 91 -20.055 11.877 -20.126 715 HA LYS 91 HA LYS 91 -19.486 14.122 -22.048 716 HB2 LYS 91 HB2 LYS 91 -21.414 11.790 -22.386 717 HB3 LYS 91 HB3 LYS 91 -21.319 13.200 -23.447 718 HG2 LYS 91 HG2 LYS 91 -18.951 12.634 -23.993 719 HG3 LYS 91 HG3 LYS 91 -19.060 11.206 -22.961 720 HD2 LYS 91 HD2 LYS 91 -19.331 10.513 -25.238 721 HD3 LYS 91 HD3 LYS 91 -20.877 10.301 -24.402 722 HE2 LYS 91 HE2 LYS 91 -21.707 12.422 -25.403 723 HE3 LYS 91 HE3 LYS 91 -20.141 12.675 -26.183 724 HZ1 LYS 91 HZ1 LYS 91 -20.525 10.633 -27.460 725 HZ2 LYS 91 HZ2 LYS 91 -21.971 10.396 -26.734 726 HZ3 LYS 91 HZ3 LYS 91 -21.746 11.683 -27.709 727 H ASN 92 H ASN 92 -21.419 13.135 -19.367 728 HA ASN 92 HA ASN 92 -22.890 15.714 -19.432 729 HB2 ASN 92 HB2 ASN 92 -24.345 14.023 -20.546 730 HB3 ASN 92 HB3 ASN 92 -24.188 12.962 -19.145 731 HD21 ASN 92 HD21 ASN 92 -26.642 13.163 -19.360 732 HD22 ASN 92 HD22 ASN 92 -27.381 14.495 -18.481 Start of MODEL 15 1 H MET 1 H MET 1 -13.769 29.620 -7.752 2 HA MET 1 HA MET 1 -15.856 29.484 -8.716 3 HB2 MET 1 HB2 MET 1 -14.253 30.209 -11.206 4 HB3 MET 1 HB3 MET 1 -16.013 30.301 -11.068 5 HG2 MET 1 HG2 MET 1 -15.787 31.930 -9.207 6 HG3 MET 1 HG3 MET 1 -14.032 31.857 -9.368 7 HE1 MET 1 HE1 MET 1 -17.400 33.162 -10.815 8 HE2 MET 1 HE2 MET 1 -16.934 33.876 -12.373 9 HE3 MET 1 HE3 MET 1 -16.932 32.113 -12.174 10 H ALA 2 H ALA 2 -13.602 27.165 -9.492 11 HA ALA 2 HA ALA 2 -14.887 25.635 -11.541 12 HB1 ALA 2 HB1 ALA 2 -12.503 25.427 -10.925 13 HB2 ALA 2 HB2 ALA 2 -12.963 24.771 -9.335 14 HB3 ALA 2 HB3 ALA 2 -13.329 23.862 -10.818 15 H VAL 3 H VAL 3 -15.904 23.576 -11.375 16 HA VAL 3 HA VAL 3 -17.426 22.972 -8.874 17 HB VAL 3 HB VAL 3 -19.455 22.547 -10.197 18 HG11 VAL 3 HG11 VAL 3 -19.126 24.732 -9.086 19 HG12 VAL 3 HG12 VAL 3 -18.460 25.389 -10.597 20 HG13 VAL 3 HG13 VAL 3 -20.143 24.831 -10.533 21 HG21 VAL 3 HG21 VAL 3 -19.701 23.355 -12.485 22 HG22 VAL 3 HG22 VAL 3 -18.002 23.858 -12.541 23 HG23 VAL 3 HG23 VAL 3 -18.424 22.134 -12.430 24 H SER 4 H SER 4 -15.103 21.745 -10.612 25 HA SER 4 HA SER 4 -15.887 19.220 -11.585 26 HB2 SER 4 HB2 SER 4 -13.221 20.011 -10.352 27 HB3 SER 4 HB3 SER 4 -13.514 18.663 -11.467 28 HG SER 4 HG SER 4 -12.712 20.514 -12.561 29 H VAL 5 H VAL 5 -15.638 17.123 -10.805 30 HA VAL 5 HA VAL 5 -15.331 16.611 -7.891 31 HB VAL 5 HB VAL 5 -17.661 15.541 -9.551 32 HG11 VAL 5 HG11 VAL 5 -17.013 13.936 -7.817 33 HG12 VAL 5 HG12 VAL 5 -16.985 15.227 -6.590 34 HG13 VAL 5 HG13 VAL 5 -18.510 14.722 -7.347 35 HG21 VAL 5 HG21 VAL 5 -19.124 16.850 -8.018 36 HG22 VAL 5 HG22 VAL 5 -17.680 17.620 -7.320 37 HG23 VAL 5 HG23 VAL 5 -18.119 17.886 -9.023 38 H THR 6 H THR 6 -14.567 14.487 -7.445 39 HA THR 6 HA THR 6 -12.855 13.309 -9.382 40 HB THR 6 HB THR 6 -12.733 11.407 -7.652 41 HG1 THR 6 HG1 THR 6 -14.726 11.719 -6.641 42 HG21 THR 6 HG21 THR 6 -12.226 14.255 -6.691 43 HG22 THR 6 HG22 THR 6 -11.498 12.772 -6.038 44 HG23 THR 6 HG23 THR 6 -11.128 13.280 -7.695 45 HA PRO 7 HA PRO 7 -15.241 10.495 -11.771 46 HB2 PRO 7 HB2 PRO 7 -13.283 8.327 -11.000 47 HB3 PRO 7 HB3 PRO 7 -13.894 8.769 -12.625 48 HG2 PRO 7 HG2 PRO 7 -11.436 9.571 -11.829 49 HG3 PRO 7 HG3 PRO 7 -12.514 10.717 -12.691 50 HD2 PRO 7 HD2 PRO 7 -11.985 10.507 -9.720 51 HD3 PRO 7 HD3 PRO 7 -12.070 11.959 -10.763 52 H ILE 8 H ILE 8 -16.894 9.074 -11.644 53 HA ILE 8 HA ILE 8 -17.314 7.371 -9.227 54 HB ILE 8 HB ILE 8 -19.690 8.032 -9.175 55 HG12 ILE 8 HG12 ILE 8 -18.939 10.276 -11.106 56 HG13 ILE 8 HG13 ILE 8 -19.851 8.834 -11.557 57 HG21 ILE 8 HG21 ILE 8 -19.390 10.067 -7.948 58 HG22 ILE 8 HG22 ILE 8 -17.957 9.069 -7.695 59 HG23 ILE 8 HG23 ILE 8 -17.890 10.447 -8.812 60 HD11 ILE 8 HD11 ILE 8 -21.395 10.647 -11.202 61 HD12 ILE 8 HD12 ILE 8 -21.621 9.460 -9.900 62 HD13 ILE 8 HD13 ILE 8 -20.743 10.980 -9.592 63 H ARG 9 H ARG 9 -16.641 7.026 -12.238 64 HA ARG 9 HA ARG 9 -18.440 4.697 -12.717 65 HB2 ARG 9 HB2 ARG 9 -18.937 5.348 -14.951 66 HB3 ARG 9 HB3 ARG 9 -19.445 6.611 -13.842 67 HG2 ARG 9 HG2 ARG 9 -17.527 8.003 -14.422 68 HG3 ARG 9 HG3 ARG 9 -16.817 6.699 -15.400 69 HD2 ARG 9 HD2 ARG 9 -18.771 6.738 -16.895 70 HD3 ARG 9 HD3 ARG 9 -19.512 7.993 -15.904 71 HE ARG 9 HE ARG 9 -18.164 9.603 -16.905 72 HH11 ARG 9 HH11 ARG 9 -15.332 9.519 -18.763 73 HH12 ARG 9 HH12 ARG 9 -16.577 10.477 -17.977 74 HH21 ARG 9 HH21 ARG 9 -15.410 7.307 -18.627 75 HH22 ARG 9 HH22 ARG 9 -16.772 6.507 -17.883 76 H ASP 10 H ASP 10 -15.401 5.330 -12.187 77 HA ASP 10 HA ASP 10 -13.832 4.644 -14.364 78 HB2 ASP 10 HB2 ASP 10 -13.132 5.574 -12.153 79 HB3 ASP 10 HB3 ASP 10 -13.307 3.964 -11.452 80 H THR 11 H THR 11 -15.561 2.299 -12.321 81 HA THR 11 HA THR 11 -14.611 0.105 -14.129 82 HB THR 11 HB THR 11 -14.638 -1.420 -12.105 83 HG1 THR 11 HG1 THR 11 -14.345 -0.363 -10.112 84 HG21 THR 11 HG21 THR 11 -12.404 -0.840 -11.342 85 HG22 THR 11 HG22 THR 11 -12.529 -0.710 -13.099 86 HG23 THR 11 HG23 THR 11 -12.529 0.764 -12.101 87 H LYS 12 H LYS 12 -17.462 1.576 -12.931 88 HA LYS 12 HA LYS 12 -19.050 -0.690 -12.410 89 HB2 LYS 12 HB2 LYS 12 -21.002 0.650 -12.757 90 HB3 LYS 12 HB3 LYS 12 -19.775 1.546 -11.865 91 HG2 LYS 12 HG2 LYS 12 -19.214 2.848 -13.873 92 HG3 LYS 12 HG3 LYS 12 -20.305 1.867 -14.854 93 HD2 LYS 12 HD2 LYS 12 -21.303 4.038 -14.305 94 HD3 LYS 12 HD3 LYS 12 -22.253 2.691 -13.668 95 HE2 LYS 12 HE2 LYS 12 -21.321 3.059 -11.410 96 HE3 LYS 12 HE3 LYS 12 -20.289 4.353 -12.023 97 HZ1 LYS 12 HZ1 LYS 12 -22.276 5.253 -11.010 98 HZ2 LYS 12 HZ2 LYS 12 -22.314 5.593 -12.604 99 HZ3 LYS 12 HZ3 LYS 12 -23.258 4.401 -12.000 100 H TRP 13 H TRP 13 -17.963 0.286 -15.562 101 HA TRP 13 HA TRP 13 -19.898 -1.400 -17.001 102 HB2 TRP 13 HB2 TRP 13 -19.207 -0.362 -18.800 103 HB3 TRP 13 HB3 TRP 13 -18.414 0.761 -17.747 104 HD1 TRP 13 HD1 TRP 13 -17.664 -2.388 -19.811 105 HE1 TRP 13 HE1 TRP 13 -15.332 -2.226 -20.840 106 HE3 TRP 13 HE3 TRP 13 -16.074 1.938 -17.547 107 HZ2 TRP 13 HZ2 TRP 13 -13.068 -0.465 -20.719 108 HZ3 TRP 13 HZ3 TRP 13 -13.807 2.827 -18.052 109 HH2 TRP 13 HH2 TRP 13 -12.305 1.648 -19.623 110 H LEU 14 H LEU 14 -16.884 -1.899 -15.419 111 HA LEU 14 HA LEU 14 -16.230 -4.424 -16.797 112 HB2 LEU 14 HB2 LEU 14 -14.823 -2.734 -14.684 113 HB3 LEU 14 HB3 LEU 14 -14.151 -4.191 -15.357 114 HG LEU 14 HG LEU 14 -14.844 -1.715 -17.010 115 HD11 LEU 14 HD11 LEU 14 -12.166 -2.660 -15.941 116 HD12 LEU 14 HD12 LEU 14 -12.446 -1.288 -17.046 117 HD13 LEU 14 HD13 LEU 14 -13.071 -1.233 -15.394 118 HD21 LEU 14 HD21 LEU 14 -13.415 -2.734 -18.724 119 HD22 LEU 14 HD22 LEU 14 -13.135 -4.150 -17.700 120 HD23 LEU 14 HD23 LEU 14 -14.759 -3.816 -18.357 121 H THR 15 H THR 15 -17.724 -3.395 -13.799 122 HA THR 15 HA THR 15 -17.107 -5.742 -12.261 123 HB THR 15 HB THR 15 -19.413 -3.876 -11.713 124 HG1 THR 15 HG1 THR 15 -17.904 -2.641 -10.577 125 HG21 THR 15 HG21 THR 15 -17.524 -5.472 -9.918 126 HG22 THR 15 HG22 THR 15 -18.751 -4.324 -9.347 127 HG23 THR 15 HG23 THR 15 -19.253 -5.787 -10.196 128 H LEU 16 H LEU 16 -17.592 -7.320 -13.894 129 HA LEU 16 HA LEU 16 -20.277 -7.956 -14.782 130 HB2 LEU 16 HB2 LEU 16 -17.993 -8.347 -15.894 131 HB3 LEU 16 HB3 LEU 16 -17.781 -9.690 -14.796 132 HG LEU 16 HG LEU 16 -19.568 -10.929 -15.808 133 HD11 LEU 16 HD11 LEU 16 -20.937 -10.018 -17.705 134 HD12 LEU 16 HD12 LEU 16 -21.324 -9.268 -16.166 135 HD13 LEU 16 HD13 LEU 16 -20.306 -8.397 -17.344 136 HD21 LEU 16 HD21 LEU 16 -18.878 -10.875 -18.203 137 HD22 LEU 16 HD22 LEU 16 -17.984 -9.393 -17.923 138 HD23 LEU 16 HD23 LEU 16 -17.486 -10.891 -17.100 139 H GLU 17 H GLU 17 -21.640 -9.697 -14.087 140 HA GLU 17 HA GLU 17 -21.369 -10.454 -11.294 141 HB2 GLU 17 HB2 GLU 17 -23.280 -11.623 -13.332 142 HB3 GLU 17 HB3 GLU 17 -23.378 -11.681 -11.565 143 HG2 GLU 17 HG2 GLU 17 -23.305 -9.004 -11.884 144 HG3 GLU 17 HG3 GLU 17 -23.977 -9.434 -13.458 145 H VAL 18 H VAL 18 -21.168 -12.538 -10.380 146 HA VAL 18 HA VAL 18 -19.421 -14.380 -11.901 147 HB VAL 18 HB VAL 18 -19.108 -15.596 -9.868 148 HG11 VAL 18 HG11 VAL 18 -17.810 -13.522 -10.188 149 HG12 VAL 18 HG12 VAL 18 -18.996 -12.631 -9.199 150 HG13 VAL 18 HG13 VAL 18 -18.035 -13.938 -8.482 151 HG21 VAL 18 HG21 VAL 18 -21.253 -13.849 -8.611 152 HG22 VAL 18 HG22 VAL 18 -21.287 -15.598 -8.831 153 HG23 VAL 18 HG23 VAL 18 -20.130 -14.868 -7.702 154 H CYS 19 H CYS 19 -19.845 -16.678 -12.085 155 HA CYS 19 HA CYS 19 -22.600 -17.242 -12.796 156 HB2 CYS 19 HB2 CYS 19 -20.669 -18.110 -14.076 157 HB3 CYS 19 HB3 CYS 19 -20.172 -19.054 -12.679 158 H ARG 20 H ARG 20 -24.117 -18.169 -11.587 159 HA ARG 20 HA ARG 20 -23.812 -18.527 -8.735 160 HB2 ARG 20 HB2 ARG 20 -26.091 -19.366 -10.574 161 HB3 ARG 20 HB3 ARG 20 -26.126 -19.374 -8.816 162 HG2 ARG 20 HG2 ARG 20 -27.293 -17.443 -9.495 163 HG3 ARG 20 HG3 ARG 20 -25.767 -16.890 -8.796 164 HD2 ARG 20 HD2 ARG 20 -24.886 -16.306 -10.940 165 HD3 ARG 20 HD3 ARG 20 -26.128 -17.238 -11.797 166 HE ARG 20 HE ARG 20 -27.784 -15.560 -10.855 167 HH11 ARG 20 HH11 ARG 20 -27.027 -12.299 -11.639 168 HH12 ARG 20 HH12 ARG 20 -28.322 -13.429 -11.239 169 HH21 ARG 20 HH21 ARG 20 -25.107 -12.819 -11.821 170 HH22 ARG 20 HH22 ARG 20 -24.456 -14.436 -11.525 171 H GLU 21 H GLU 21 -23.584 -20.796 -11.400 172 HA GLU 21 HA GLU 21 -23.840 -23.173 -9.699 173 HB2 GLU 21 HB2 GLU 21 -22.822 -22.820 -12.530 174 HB3 GLU 21 HB3 GLU 21 -23.185 -24.360 -11.754 175 HG2 GLU 21 HG2 GLU 21 -25.288 -22.208 -12.275 176 HG3 GLU 21 HG3 GLU 21 -24.914 -23.510 -13.389 177 H PHE 22 H PHE 22 -21.234 -21.267 -11.239 178 HA PHE 22 HA PHE 22 -19.004 -22.843 -10.390 179 HB2 PHE 22 HB2 PHE 22 -19.070 -21.100 -12.165 180 HB3 PHE 22 HB3 PHE 22 -19.237 -19.868 -10.935 181 HD1 PHE 22 HD1 PHE 22 -16.951 -22.391 -12.407 182 HD2 PHE 22 HD2 PHE 22 -17.322 -19.034 -9.727 183 HE1 PHE 22 HE1 PHE 22 -14.472 -22.191 -12.311 184 HE2 PHE 22 HE2 PHE 22 -14.850 -18.828 -9.644 185 HZ PHE 22 HZ PHE 22 -13.421 -20.407 -10.930 186 H GLN 23 H GLN 23 -20.869 -20.268 -8.807 187 HA GLN 23 HA GLN 23 -19.188 -19.876 -6.508 188 HB2 GLN 23 HB2 GLN 23 -22.146 -19.450 -7.065 189 HB3 GLN 23 HB3 GLN 23 -21.489 -19.141 -5.468 190 HG2 GLN 23 HG2 GLN 23 -20.408 -17.808 -7.975 191 HG3 GLN 23 HG3 GLN 23 -21.682 -17.131 -6.964 192 HE21 GLN 23 HE21 GLN 23 -18.262 -17.335 -7.385 193 HE22 GLN 23 HE22 GLN 23 -17.834 -16.649 -5.826 194 H ARG 24 H ARG 24 -21.108 -22.553 -7.359 195 HA ARG 24 HA ARG 24 -20.972 -23.739 -4.612 196 HB2 ARG 24 HB2 ARG 24 -23.115 -23.728 -6.752 197 HB3 ARG 24 HB3 ARG 24 -23.057 -25.053 -5.590 198 HG2 ARG 24 HG2 ARG 24 -23.618 -23.760 -3.785 199 HG3 ARG 24 HG3 ARG 24 -22.928 -22.280 -4.448 200 HD2 ARG 24 HD2 ARG 24 -25.400 -22.232 -4.267 201 HD3 ARG 24 HD3 ARG 24 -24.767 -21.882 -5.866 202 HE ARG 24 HE ARG 24 -26.094 -24.444 -5.016 203 HH11 ARG 24 HH11 ARG 24 -26.030 -23.304 -8.837 204 HH12 ARG 24 HH12 ARG 24 -25.134 -22.327 -7.680 205 HH21 ARG 24 HH21 ARG 24 -27.099 -25.009 -8.280 206 HH22 ARG 24 HH22 ARG 24 -27.184 -25.593 -6.633 207 H GLY 25 H GLY 25 -19.214 -23.807 -7.219 208 HA2 GLY 25 HA2 GLY 25 -17.829 -25.301 -8.260 209 HA3 GLY 25 HA3 GLY 25 -18.039 -26.340 -6.845 210 H THR 26 H THR 26 -20.630 -25.381 -9.095 211 HA THR 26 HA THR 26 -20.797 -28.178 -10.126 212 HB THR 26 HB THR 26 -22.268 -27.839 -8.196 213 HG1 THR 26 HG1 THR 26 -23.497 -28.296 -10.689 214 HG21 THR 26 HG21 THR 26 -24.380 -26.594 -8.436 215 HG22 THR 26 HG22 THR 26 -22.974 -25.533 -8.395 216 HG23 THR 26 HG23 THR 26 -23.786 -25.867 -9.943 217 H CYS 27 H CYS 27 -19.992 -25.389 -11.348 218 HA CYS 27 HA CYS 27 -21.858 -25.087 -13.545 219 HB2 CYS 27 HB2 CYS 27 -20.262 -23.314 -12.639 220 HB3 CYS 27 HB3 CYS 27 -18.968 -24.139 -13.510 221 H SER 28 H SER 28 -20.863 -25.278 -15.859 222 HA SER 28 HA SER 28 -19.434 -27.873 -16.276 223 HB2 SER 28 HB2 SER 28 -21.155 -28.669 -17.816 224 HB3 SER 28 HB3 SER 28 -21.820 -28.400 -16.201 225 HG SER 28 HG SER 28 -23.181 -27.549 -17.843 226 H ARG 29 H ARG 29 -19.222 -24.741 -16.995 227 HA ARG 29 HA ARG 29 -18.206 -25.151 -19.795 228 HB2 ARG 29 HB2 ARG 29 -19.571 -22.732 -18.577 229 HB3 ARG 29 HB3 ARG 29 -18.968 -22.874 -20.221 230 HG2 ARG 29 HG2 ARG 29 -20.679 -24.645 -20.687 231 HG3 ARG 29 HG3 ARG 29 -21.262 -24.481 -19.015 232 HD2 ARG 29 HD2 ARG 29 -21.479 -21.961 -19.563 233 HD3 ARG 29 HD3 ARG 29 -21.407 -22.449 -21.257 234 HE ARG 29 HE ARG 29 -23.498 -23.610 -20.968 235 HH11 ARG 29 HH11 ARG 29 -25.743 -23.231 -18.393 236 HH12 ARG 29 HH12 ARG 29 -25.460 -23.886 -19.978 237 HH21 ARG 29 HH21 ARG 29 -24.179 -22.180 -17.294 238 HH22 ARG 29 HH22 ARG 29 -22.631 -21.843 -17.982 239 HA PRO 30 HA PRO 30 -14.518 -23.106 -18.088 240 HB2 PRO 30 HB2 PRO 30 -13.275 -22.317 -20.390 241 HB3 PRO 30 HB3 PRO 30 -13.347 -24.033 -19.883 242 HG2 PRO 30 HG2 PRO 30 -15.161 -22.597 -21.846 243 HG3 PRO 30 HG3 PRO 30 -14.312 -24.160 -22.069 244 HD2 PRO 30 HD2 PRO 30 -16.922 -24.055 -21.282 245 HD3 PRO 30 HD3 PRO 30 -15.807 -25.282 -20.631 246 H ASP 31 H ASP 31 -13.587 -20.835 -18.162 247 HA ASP 31 HA ASP 31 -15.546 -18.804 -17.893 248 HB2 ASP 31 HB2 ASP 31 -13.703 -17.260 -17.771 249 HB3 ASP 31 HB3 ASP 31 -13.296 -18.727 -16.879 250 H THR 32 H THR 32 -13.839 -19.879 -20.735 251 HA THR 32 HA THR 32 -14.438 -17.644 -22.452 252 HB THR 32 HB THR 32 -13.703 -19.225 -24.278 253 HG1 THR 32 HG1 THR 32 -12.800 -21.169 -23.582 254 HG21 THR 32 HG21 THR 32 -12.105 -17.732 -23.091 255 HG22 THR 32 HG22 THR 32 -11.805 -19.019 -21.903 256 HG23 THR 32 HG23 THR 32 -11.367 -19.256 -23.608 257 H GLU 33 H GLU 33 -16.539 -20.053 -21.315 258 HA GLU 33 HA GLU 33 -18.353 -19.761 -23.705 259 HB2 GLU 33 HB2 GLU 33 -17.480 -22.155 -22.107 260 HB3 GLU 33 HB3 GLU 33 -19.102 -22.162 -22.755 261 HG2 GLU 33 HG2 GLU 33 -18.195 -21.695 -25.030 262 HG3 GLU 33 HG3 GLU 33 -16.552 -21.770 -24.378 263 H CYS 34 H CYS 34 -18.251 -19.673 -20.148 264 HA CYS 34 HA CYS 34 -21.081 -20.036 -19.917 265 HB2 CYS 34 HB2 CYS 34 -19.127 -20.419 -18.213 266 HB3 CYS 34 HB3 CYS 34 -19.468 -18.754 -17.729 267 H LYS 35 H LYS 35 -22.481 -18.613 -18.724 268 HA LYS 35 HA LYS 35 -22.940 -16.133 -20.270 269 HB2 LYS 35 HB2 LYS 35 -24.582 -17.600 -18.156 270 HB3 LYS 35 HB3 LYS 35 -25.108 -16.128 -18.986 271 HG2 LYS 35 HG2 LYS 35 -24.878 -17.273 -21.181 272 HG3 LYS 35 HG3 LYS 35 -24.448 -18.779 -20.344 273 HD2 LYS 35 HD2 LYS 35 -26.642 -18.808 -19.220 274 HD3 LYS 35 HD3 LYS 35 -27.072 -17.259 -19.987 275 HE2 LYS 35 HE2 LYS 35 -26.773 -18.293 -22.225 276 HE3 LYS 35 HE3 LYS 35 -26.380 -19.838 -21.464 277 HZ1 LYS 35 HZ1 LYS 35 -28.624 -19.853 -20.492 278 HZ2 LYS 35 HZ2 LYS 35 -28.987 -18.426 -21.202 279 HZ3 LYS 35 HZ3 LYS 35 -28.722 -19.751 -22.117 280 H PHE 36 H PHE 36 -21.398 -16.824 -17.364 281 HA PHE 36 HA PHE 36 -21.365 -13.975 -16.524 282 HB2 PHE 36 HB2 PHE 36 -21.872 -16.339 -14.707 283 HB3 PHE 36 HB3 PHE 36 -21.635 -14.683 -14.171 284 HD1 PHE 36 HD1 PHE 36 -24.087 -17.109 -14.781 285 HD2 PHE 36 HD2 PHE 36 -23.305 -12.898 -15.276 286 HE1 PHE 36 HE1 PHE 36 -26.529 -16.653 -14.781 287 HE2 PHE 36 HE2 PHE 36 -25.749 -12.443 -15.265 288 HZ PHE 36 HZ PHE 36 -27.363 -14.320 -15.017 289 H ALA 37 H ALA 37 -19.597 -13.789 -14.665 290 HA ALA 37 HA ALA 37 -17.141 -14.746 -15.912 291 HB1 ALA 37 HB1 ALA 37 -17.688 -12.987 -13.500 292 HB2 ALA 37 HB2 ALA 37 -16.110 -13.204 -14.297 293 HB3 ALA 37 HB3 ALA 37 -17.443 -12.415 -15.160 294 H HIS 38 H HIS 38 -15.474 -15.901 -14.941 295 HA HIS 38 HA HIS 38 -16.124 -17.625 -12.585 296 HB2 HIS 38 HB2 HIS 38 -14.775 -18.364 -15.206 297 HB3 HIS 38 HB3 HIS 38 -14.720 -19.363 -13.758 298 HD1 HIS 38 HD1 HIS 38 -15.974 -20.653 -16.267 299 HD2 HIS 38 HD2 HIS 38 -18.106 -18.516 -13.345 300 HE1 HIS 38 HE1 HIS 38 -18.399 -21.432 -16.418 301 HA PRO 39 HA PRO 39 -12.316 -15.156 -11.612 302 HB2 PRO 39 HB2 PRO 39 -12.623 -15.231 -8.843 303 HB3 PRO 39 HB3 PRO 39 -13.344 -14.016 -9.925 304 HG2 PRO 39 HG2 PRO 39 -14.591 -16.535 -8.804 305 HG3 PRO 39 HG3 PRO 39 -15.307 -14.898 -8.880 306 HD2 PRO 39 HD2 PRO 39 -15.936 -16.790 -10.695 307 HD3 PRO 39 HD3 PRO 39 -15.716 -15.093 -11.210 308 H SER 40 H SER 40 -10.298 -15.657 -10.735 309 HA SER 40 HA SER 40 -9.711 -18.524 -10.239 310 HB2 SER 40 HB2 SER 40 -7.453 -17.974 -10.696 311 HB3 SER 40 HB3 SER 40 -8.400 -17.063 -11.894 312 HG SER 40 HG SER 40 -6.904 -15.675 -10.999 313 H LYS 41 H LYS 41 -7.598 -18.573 -8.738 314 HA LYS 41 HA LYS 41 -8.324 -18.123 -5.990 315 HB2 LYS 41 HB2 LYS 41 -5.730 -18.808 -7.436 316 HB3 LYS 41 HB3 LYS 41 -5.854 -18.727 -5.667 317 HG2 LYS 41 HG2 LYS 41 -7.620 -20.471 -5.698 318 HG3 LYS 41 HG3 LYS 41 -7.466 -20.596 -7.462 319 HD2 LYS 41 HD2 LYS 41 -5.090 -21.267 -7.212 320 HD3 LYS 41 HD3 LYS 41 -5.240 -21.140 -5.444 321 HE2 LYS 41 HE2 LYS 41 -7.021 -22.873 -5.474 322 HE3 LYS 41 HE3 LYS 41 -6.871 -23.004 -7.232 323 HZ1 LYS 41 HZ1 LYS 41 -4.709 -23.627 -5.287 324 HZ2 LYS 41 HZ2 LYS 41 -5.589 -24.731 -6.102 325 HZ3 LYS 41 HZ3 LYS 41 -4.569 -23.749 -6.911 326 H SER 42 H SER 42 -6.971 -15.938 -8.316 327 HA SER 42 HA SER 42 -5.959 -14.098 -6.165 328 HB2 SER 42 HB2 SER 42 -5.359 -14.116 -9.144 329 HB3 SER 42 HB3 SER 42 -4.732 -12.960 -7.956 330 HG SER 42 HG SER 42 -4.276 -15.779 -8.013 331 H CYS 43 H CYS 43 -8.382 -14.327 -8.751 332 HA CYS 43 HA CYS 43 -8.912 -11.593 -9.114 333 HB2 CYS 43 HB2 CYS 43 -10.768 -13.980 -9.284 334 HB3 CYS 43 HB3 CYS 43 -11.128 -12.373 -9.937 335 HG CYS 43 HG CYS 43 -8.929 -12.262 -11.485 336 H GLN 44 H GLN 44 -9.927 -10.029 -7.967 337 HA GLN 44 HA GLN 44 -11.010 -10.620 -5.298 338 HB2 GLN 44 HB2 GLN 44 -10.590 -8.086 -6.928 339 HB3 GLN 44 HB3 GLN 44 -11.559 -8.085 -5.445 340 HG2 GLN 44 HG2 GLN 44 -9.673 -9.057 -4.179 341 HG3 GLN 44 HG3 GLN 44 -8.671 -9.043 -5.635 342 HE21 GLN 44 HE21 GLN 44 -10.723 -6.694 -3.725 343 HE22 GLN 44 HE22 GLN 44 -9.538 -5.404 -3.854 344 H VAL 45 H VAL 45 -13.086 -10.535 -4.615 345 HA VAL 45 HA VAL 45 -15.275 -10.323 -6.640 346 HB VAL 45 HB VAL 45 -15.228 -12.281 -4.326 347 HG11 VAL 45 HG11 VAL 45 -17.467 -11.723 -5.145 348 HG12 VAL 45 HG12 VAL 45 -16.980 -12.117 -6.804 349 HG13 VAL 45 HG13 VAL 45 -17.063 -13.388 -5.566 350 HG21 VAL 45 HG21 VAL 45 -14.538 -12.968 -7.199 351 HG22 VAL 45 HG22 VAL 45 -13.442 -13.037 -5.808 352 HG23 VAL 45 HG23 VAL 45 -14.827 -14.122 -5.890 353 H GLU 46 H GLU 46 -17.106 -9.269 -5.973 354 HA GLU 46 HA GLU 46 -17.499 -8.503 -3.121 355 HB2 GLU 46 HB2 GLU 46 -17.337 -6.548 -5.457 356 HB3 GLU 46 HB3 GLU 46 -17.929 -6.133 -3.857 357 HG2 GLU 46 HG2 GLU 46 -15.105 -7.067 -4.521 358 HG3 GLU 46 HG3 GLU 46 -15.610 -5.397 -4.302 359 H ASN 47 H ASN 47 -19.577 -8.681 -2.573 360 HA ASN 47 HA ASN 47 -21.772 -9.247 -2.693 361 HB2 ASN 47 HB2 ASN 47 -21.467 -6.707 -2.790 362 HB3 ASN 47 HB3 ASN 47 -21.840 -6.829 -4.512 363 HD21 ASN 47 HD21 ASN 47 -23.771 -5.573 -4.327 364 HD22 ASN 47 HD22 ASN 47 -25.186 -6.201 -3.492 365 H GLY 48 H GLY 48 -20.509 -10.903 -4.642 366 HA2 GLY 48 HA2 GLY 48 -21.393 -12.512 -6.104 367 HA3 GLY 48 HA3 GLY 48 -22.852 -11.536 -6.308 368 H ARG 49 H ARG 49 -19.866 -9.861 -6.825 369 HA ARG 49 HA ARG 49 -19.866 -10.282 -9.767 370 HB2 ARG 49 HB2 ARG 49 -19.879 -7.509 -8.502 371 HB3 ARG 49 HB3 ARG 49 -19.887 -7.935 -10.218 372 HG2 ARG 49 HG2 ARG 49 -22.145 -9.029 -9.856 373 HG3 ARG 49 HG3 ARG 49 -22.156 -8.340 -8.228 374 HD2 ARG 49 HD2 ARG 49 -22.094 -6.092 -9.103 375 HD3 ARG 49 HD3 ARG 49 -21.843 -6.687 -10.758 376 HE ARG 49 HE ARG 49 -24.169 -7.907 -10.241 377 HH11 ARG 49 HH11 ARG 49 -26.632 -5.637 -10.363 378 HH12 ARG 49 HH12 ARG 49 -26.102 -7.310 -10.564 379 HH21 ARG 49 HH21 ARG 49 -25.102 -4.072 -9.831 380 HH22 ARG 49 HH22 ARG 49 -23.437 -4.529 -9.596 381 H VAL 50 H VAL 50 -18.030 -9.394 -10.813 382 HA VAL 50 HA VAL 50 -15.516 -9.167 -9.209 383 HB VAL 50 HB VAL 50 -14.457 -10.625 -10.972 384 HG11 VAL 50 HG11 VAL 50 -14.748 -11.446 -8.760 385 HG12 VAL 50 HG12 VAL 50 -16.445 -11.869 -9.059 386 HG13 VAL 50 HG13 VAL 50 -15.148 -12.746 -9.887 387 HG21 VAL 50 HG21 VAL 50 -16.252 -10.742 -12.677 388 HG22 VAL 50 HG22 VAL 50 -15.825 -12.350 -12.071 389 HG23 VAL 50 HG23 VAL 50 -17.311 -11.573 -11.523 390 H ILE 51 H ILE 51 -13.965 -7.808 -10.163 391 HA ILE 51 HA ILE 51 -14.996 -6.103 -12.360 392 HB ILE 51 HB ILE 51 -12.580 -5.733 -10.562 393 HG12 ILE 51 HG12 ILE 51 -15.416 -4.660 -10.486 394 HG13 ILE 51 HG13 ILE 51 -14.625 -5.689 -9.286 395 HG21 ILE 51 HG21 ILE 51 -13.958 -3.791 -12.487 396 HG22 ILE 51 HG22 ILE 51 -12.564 -3.424 -11.444 397 HG23 ILE 51 HG23 ILE 51 -12.374 -4.549 -12.770 398 HD11 ILE 51 HD11 ILE 51 -14.811 -3.494 -8.401 399 HD12 ILE 51 HD12 ILE 51 -13.088 -3.814 -8.721 400 HD13 ILE 51 HD13 ILE 51 -14.036 -2.765 -9.813 401 H ALA 52 H ALA 52 -14.334 -6.179 -14.393 402 HA ALA 52 HA ALA 52 -12.427 -8.175 -15.278 403 HB1 ALA 52 HB1 ALA 52 -13.034 -7.340 -17.530 404 HB2 ALA 52 HB2 ALA 52 -14.452 -7.755 -16.549 405 HB3 ALA 52 HB3 ALA 52 -14.004 -6.056 -16.781 406 H CYS 53 H CYS 53 -10.501 -7.855 -16.415 407 HA CYS 53 HA CYS 53 -8.800 -5.876 -15.280 408 HB2 CYS 53 HB2 CYS 53 -8.188 -8.225 -15.826 409 HB3 CYS 53 HB3 CYS 53 -8.194 -7.805 -17.542 410 H PHE 54 H PHE 54 -9.162 -3.851 -15.755 411 HA PHE 54 HA PHE 54 -9.733 -2.710 -18.330 412 HB2 PHE 54 HB2 PHE 54 -8.964 -0.576 -17.273 413 HB3 PHE 54 HB3 PHE 54 -10.221 -1.406 -16.387 414 HD1 PHE 54 HD1 PHE 54 -9.831 -2.382 -14.177 415 HD2 PHE 54 HD2 PHE 54 -6.656 -0.433 -16.355 416 HE1 PHE 54 HE1 PHE 54 -8.432 -2.373 -12.132 417 HE2 PHE 54 HE2 PHE 54 -5.239 -0.466 -14.326 418 HZ PHE 54 HZ PHE 54 -6.129 -1.420 -12.196 419 H ASP 55 H ASP 55 -6.672 -3.441 -16.635 420 HA ASP 55 HA ASP 55 -4.916 -2.158 -18.502 421 HB2 ASP 55 HB2 ASP 55 -4.466 -4.539 -16.667 422 HB3 ASP 55 HB3 ASP 55 -3.208 -3.749 -17.610 423 H SER 56 H SER 56 -6.275 -5.525 -18.455 424 HA SER 56 HA SER 56 -4.837 -6.387 -20.778 425 HB2 SER 56 HB2 SER 56 -5.833 -7.951 -19.236 426 HB3 SER 56 HB3 SER 56 -7.464 -7.377 -19.608 427 HG SER 56 HG SER 56 -6.747 -9.316 -20.756 428 H LEU 57 H LEU 57 -8.043 -4.805 -20.447 429 HA LEU 57 HA LEU 57 -8.693 -4.873 -23.265 430 HB2 LEU 57 HB2 LEU 57 -9.655 -3.268 -20.878 431 HB3 LEU 57 HB3 LEU 57 -10.242 -2.896 -22.495 432 HG LEU 57 HG LEU 57 -10.428 -5.693 -21.335 433 HD11 LEU 57 HD11 LEU 57 -11.632 -4.163 -19.847 434 HD12 LEU 57 HD12 LEU 57 -12.488 -3.449 -21.233 435 HD13 LEU 57 HD13 LEU 57 -12.782 -5.141 -20.770 436 HD21 LEU 57 HD21 LEU 57 -10.719 -5.552 -23.786 437 HD22 LEU 57 HD22 LEU 57 -12.249 -5.948 -22.996 438 HD23 LEU 57 HD23 LEU 57 -11.955 -4.294 -23.573 439 H LYS 58 H LYS 58 -7.061 -2.401 -21.257 440 HA LYS 58 HA LYS 58 -6.763 -0.517 -23.482 441 HB2 LYS 58 HB2 LYS 58 -5.568 -0.612 -20.680 442 HB3 LYS 58 HB3 LYS 58 -5.329 0.721 -21.793 443 HG2 LYS 58 HG2 LYS 58 -8.019 -0.179 -20.679 444 HG3 LYS 58 HG3 LYS 58 -7.074 1.185 -20.110 445 HD2 LYS 58 HD2 LYS 58 -8.414 0.912 -22.833 446 HD3 LYS 58 HD3 LYS 58 -8.950 1.908 -21.478 447 HE2 LYS 58 HE2 LYS 58 -6.836 3.229 -21.614 448 HE3 LYS 58 HE3 LYS 58 -6.326 2.260 -23.002 449 HZ1 LYS 58 HZ1 LYS 58 -7.368 4.332 -23.710 450 HZ2 LYS 58 HZ2 LYS 58 -8.282 3.076 -24.209 451 HZ3 LYS 58 HZ3 LYS 58 -8.752 3.975 -22.926 452 H GLY 59 H GLY 59 -5.040 -3.321 -22.683 453 HA2 GLY 59 HA2 GLY 59 -3.253 -4.278 -23.827 454 HA3 GLY 59 HA3 GLY 59 -3.002 -2.779 -24.725 455 H ARG 60 H ARG 60 -3.056 -3.224 -21.204 456 HA ARG 60 HA ARG 60 -0.179 -2.397 -20.971 457 HB2 ARG 60 HB2 ARG 60 -1.916 -0.650 -20.463 458 HB3 ARG 60 HB3 ARG 60 -2.511 -1.656 -19.139 459 HG2 ARG 60 HG2 ARG 60 -0.446 -1.399 -17.910 460 HG3 ARG 60 HG3 ARG 60 0.379 -0.706 -19.321 461 HD2 ARG 60 HD2 ARG 60 -0.146 1.066 -17.771 462 HD3 ARG 60 HD3 ARG 60 -1.136 1.260 -19.228 463 HE ARG 60 HE ARG 60 -2.530 -0.284 -17.193 464 HH11 ARG 60 HH11 ARG 60 -3.170 3.631 -17.004 465 HH12 ARG 60 HH12 ARG 60 -1.789 3.078 -17.915 466 HH21 ARG 60 HH21 ARG 60 -4.511 2.124 -15.977 467 HH22 ARG 60 HH22 ARG 60 -4.115 0.404 -16.146 468 H CYS 61 H CYS 61 -2.538 -4.780 -19.930 469 HA CYS 61 HA CYS 61 -1.221 -5.505 -17.510 470 HB2 CYS 61 HB2 CYS 61 -3.615 -6.026 -18.231 471 HB3 CYS 61 HB3 CYS 61 -2.965 -7.374 -19.154 472 H SER 62 H SER 62 0.136 -7.065 -16.977 473 HA SER 62 HA SER 62 1.406 -8.940 -18.841 474 HB2 SER 62 HB2 SER 62 3.702 -8.112 -18.426 475 HB3 SER 62 HB3 SER 62 2.719 -6.938 -19.303 476 HG SER 62 HG SER 62 2.484 -5.728 -17.449 477 H ARG 63 H ARG 63 -0.011 -8.588 -16.040 478 HA ARG 63 HA ARG 63 1.789 -9.612 -14.034 479 HB2 ARG 63 HB2 ARG 63 -1.245 -9.402 -14.268 480 HB3 ARG 63 HB3 ARG 63 -0.443 -10.008 -12.819 481 HG2 ARG 63 HG2 ARG 63 0.766 -7.895 -12.535 482 HG3 ARG 63 HG3 ARG 63 -0.000 -7.222 -13.983 483 HD2 ARG 63 HD2 ARG 63 -1.557 -8.265 -11.577 484 HD3 ARG 63 HD3 ARG 63 -1.043 -6.588 -11.730 485 HE ARG 63 HE ARG 63 -3.089 -7.971 -13.446 486 HH11 ARG 63 HH11 ARG 63 -4.355 -6.853 -14.706 487 HH12 ARG 63 HH12 ARG 63 -4.259 -5.107 -14.737 488 HH21 ARG 63 HH21 ARG 63 -1.561 -4.835 -12.739 489 HH22 ARG 63 HH22 ARG 63 -2.803 -4.050 -13.726 490 H GLU 64 H GLU 64 1.535 -11.511 -12.852 491 HA GLU 64 HA GLU 64 0.811 -13.981 -14.395 492 HB2 GLU 64 HB2 GLU 64 2.560 -15.108 -13.081 493 HB3 GLU 64 HB3 GLU 64 3.198 -13.821 -14.109 494 HG2 GLU 64 HG2 GLU 64 3.394 -12.329 -12.146 495 HG3 GLU 64 HG3 GLU 64 2.678 -13.565 -11.115 496 H ASN 65 H ASN 65 -0.147 -12.091 -11.866 497 HA ASN 65 HA ASN 65 -1.821 -14.162 -10.565 498 HB2 ASN 65 HB2 ASN 65 0.295 -12.383 -9.287 499 HB3 ASN 65 HB3 ASN 65 -1.058 -12.999 -8.338 500 HD21 ASN 65 HD21 ASN 65 2.069 -13.598 -8.667 501 HD22 ASN 65 HD22 ASN 65 2.049 -15.346 -8.502 502 H CYS 66 H CYS 66 -2.490 -12.210 -12.518 503 HA CYS 66 HA CYS 66 -3.310 -9.715 -11.674 504 HB2 CYS 66 HB2 CYS 66 -3.125 -10.740 -14.005 505 HB3 CYS 66 HB3 CYS 66 -4.732 -11.432 -13.743 506 H LYS 67 H LYS 67 -4.872 -8.907 -10.494 507 HA LYS 67 HA LYS 67 -6.694 -10.655 -8.998 508 HB2 LYS 67 HB2 LYS 67 -6.528 -7.642 -8.776 509 HB3 LYS 67 HB3 LYS 67 -7.090 -8.821 -7.579 510 HG2 LYS 67 HG2 LYS 67 -4.699 -9.736 -7.550 511 HG3 LYS 67 HG3 LYS 67 -4.238 -8.301 -8.491 512 HD2 LYS 67 HD2 LYS 67 -5.614 -8.261 -5.767 513 HD3 LYS 67 HD3 LYS 67 -3.875 -8.058 -6.009 514 HE2 LYS 67 HE2 LYS 67 -4.157 -5.984 -7.183 515 HE3 LYS 67 HE3 LYS 67 -5.900 -6.235 -7.366 516 HZ1 LYS 67 HZ1 LYS 67 -5.370 -4.669 -5.570 517 HZ2 LYS 67 HZ2 LYS 67 -6.212 -5.967 -5.045 518 HZ3 LYS 67 HZ3 LYS 67 -4.597 -5.846 -4.736 519 H TYR 68 H TYR 68 -7.044 -9.433 -11.952 520 HA TYR 68 HA TYR 68 -9.970 -8.860 -11.670 521 HB2 TYR 68 HB2 TYR 68 -7.937 -7.570 -13.515 522 HB3 TYR 68 HB3 TYR 68 -9.656 -7.231 -13.459 523 HD1 TYR 68 HD1 TYR 68 -10.663 -5.983 -11.572 524 HD2 TYR 68 HD2 TYR 68 -6.411 -6.694 -11.784 525 HE1 TYR 68 HE1 TYR 68 -10.279 -4.218 -9.852 526 HE2 TYR 68 HE2 TYR 68 -6.030 -4.922 -10.081 527 HH TYR 68 HH TYR 68 -6.992 -3.347 -8.719 528 H LEU 69 H LEU 69 -11.292 -9.354 -13.471 529 HA LEU 69 HA LEU 69 -10.636 -11.932 -14.662 530 HB2 LEU 69 HB2 LEU 69 -13.043 -10.113 -14.538 531 HB3 LEU 69 HB3 LEU 69 -12.993 -11.305 -15.817 532 HG LEU 69 HG LEU 69 -14.236 -11.974 -13.789 533 HD11 LEU 69 HD11 LEU 69 -13.382 -13.649 -15.390 534 HD12 LEU 69 HD12 LEU 69 -11.866 -13.767 -14.473 535 HD13 LEU 69 HD13 LEU 69 -13.398 -14.273 -13.731 536 HD21 LEU 69 HD21 LEU 69 -11.526 -12.349 -12.492 537 HD22 LEU 69 HD22 LEU 69 -12.616 -11.010 -12.115 538 HD23 LEU 69 HD23 LEU 69 -13.119 -12.685 -11.787 539 H HIS 70 H HIS 70 -9.428 -12.176 -16.453 540 HA HIS 70 HA HIS 70 -9.102 -10.081 -18.447 541 HB2 HIS 70 HB2 HIS 70 -8.262 -12.955 -18.279 542 HB3 HIS 70 HB3 HIS 70 -8.150 -12.072 -19.795 543 HD1 HIS 70 HD1 HIS 70 -5.470 -12.069 -19.772 544 HD2 HIS 70 HD2 HIS 70 -7.386 -10.081 -16.596 545 HE1 HIS 70 HE1 HIS 70 -3.745 -10.487 -18.743 546 HA PRO 71 HA PRO 71 -13.255 -10.682 -19.985 547 HB2 PRO 71 HB2 PRO 71 -12.018 -9.304 -22.377 548 HB3 PRO 71 HB3 PRO 71 -13.639 -9.068 -21.650 549 HG2 PRO 71 HG2 PRO 71 -11.672 -7.393 -21.028 550 HG3 PRO 71 HG3 PRO 71 -12.652 -8.066 -19.689 551 HD2 PRO 71 HD2 PRO 71 -9.928 -8.990 -20.667 552 HD3 PRO 71 HD3 PRO 71 -10.480 -8.673 -19.003 553 HA PRO 72 HA PRO 72 -12.527 -14.301 -22.668 554 HB2 PRO 72 HB2 PRO 72 -14.872 -15.631 -22.193 555 HB3 PRO 72 HB3 PRO 72 -13.498 -15.639 -21.035 556 HG2 PRO 72 HG2 PRO 72 -16.028 -14.019 -21.000 557 HG3 PRO 72 HG3 PRO 72 -15.197 -14.801 -19.624 558 HD2 PRO 72 HD2 PRO 72 -14.968 -12.110 -20.265 559 HD3 PRO 72 HD3 PRO 72 -13.718 -13.035 -19.385 560 HA PRO 73 HA PRO 73 -14.496 -12.785 -26.367 561 HB2 PRO 73 HB2 PRO 73 -15.110 -15.688 -26.966 562 HB3 PRO 73 HB3 PRO 73 -14.460 -14.425 -28.058 563 HG2 PRO 73 HG2 PRO 73 -12.787 -16.224 -26.927 564 HG3 PRO 73 HG3 PRO 73 -12.326 -14.491 -26.984 565 HD2 PRO 73 HD2 PRO 73 -13.433 -16.069 -24.658 566 HD3 PRO 73 HD3 PRO 73 -12.133 -14.835 -24.691 567 H HIS 74 H HIS 74 -16.399 -15.287 -24.658 568 HA HIS 74 HA HIS 74 -18.933 -14.509 -25.797 569 HB2 HIS 74 HB2 HIS 74 -18.266 -16.786 -24.863 570 HB3 HIS 74 HB3 HIS 74 -18.399 -16.105 -23.243 571 HD1 HIS 74 HD1 HIS 74 -20.704 -16.755 -22.224 572 HD2 HIS 74 HD2 HIS 74 -20.726 -16.262 -26.424 573 HE1 HIS 74 HE1 HIS 74 -23.101 -17.282 -23.014 574 HE2 HIS 74 HE2 HIS 74 -23.108 -16.968 -25.571 575 H LEU 75 H LEU 75 -17.153 -13.048 -23.228 576 HA LEU 75 HA LEU 75 -19.595 -11.519 -22.386 577 HB2 LEU 75 HB2 LEU 75 -17.061 -12.033 -20.819 578 HB3 LEU 75 HB3 LEU 75 -18.405 -11.045 -20.297 579 HG LEU 75 HG LEU 75 -18.638 -14.022 -20.910 580 HD11 LEU 75 HD11 LEU 75 -18.425 -14.593 -18.717 581 HD12 LEU 75 HD12 LEU 75 -17.198 -13.325 -18.835 582 HD13 LEU 75 HD13 LEU 75 -18.772 -12.984 -18.088 583 HD21 LEU 75 HD21 LEU 75 -20.773 -13.817 -19.634 584 HD22 LEU 75 HD22 LEU 75 -20.532 -12.056 -19.533 585 HD23 LEU 75 HD23 LEU 75 -20.784 -12.844 -21.107 586 H LYS 76 H LYS 76 -16.528 -11.196 -23.995 587 HA LYS 76 HA LYS 76 -16.002 -8.429 -23.533 588 HB2 LYS 76 HB2 LYS 76 -15.489 -10.285 -25.874 589 HB3 LYS 76 HB3 LYS 76 -15.144 -8.553 -25.998 590 HG2 LYS 76 HG2 LYS 76 -13.648 -8.616 -24.080 591 HG3 LYS 76 HG3 LYS 76 -14.062 -10.305 -23.762 592 HD2 LYS 76 HD2 LYS 76 -11.891 -10.192 -24.827 593 HD3 LYS 76 HD3 LYS 76 -13.039 -10.982 -25.915 594 HE2 LYS 76 HE2 LYS 76 -13.300 -8.856 -27.183 595 HE3 LYS 76 HE3 LYS 76 -12.201 -8.045 -26.059 596 HZ1 LYS 76 HZ1 LYS 76 -10.439 -9.567 -26.793 597 HZ2 LYS 76 HZ2 LYS 76 -11.457 -10.313 -27.834 598 HZ3 LYS 76 HZ3 LYS 76 -11.045 -8.754 -28.071 599 H THR 77 H THR 77 -18.474 -9.926 -25.628 600 HA THR 77 HA THR 77 -19.318 -7.518 -26.941 601 HB THR 77 HB THR 77 -21.041 -9.912 -26.184 602 HG1 THR 77 HG1 THR 77 -20.369 -10.743 -28.179 603 HG21 THR 77 HG21 THR 77 -21.178 -7.926 -28.499 604 HG22 THR 77 HG22 THR 77 -22.220 -9.356 -28.303 605 HG23 THR 77 HG23 THR 77 -22.319 -8.029 -27.139 606 H GLN 78 H GLN 78 -20.356 -9.034 -23.846 607 HA GLN 78 HA GLN 78 -22.410 -7.075 -23.257 608 HB2 GLN 78 HB2 GLN 78 -20.853 -8.976 -21.435 609 HB3 GLN 78 HB3 GLN 78 -22.281 -8.060 -20.965 610 HG2 GLN 78 HG2 GLN 78 -22.145 -10.258 -23.075 611 HG3 GLN 78 HG3 GLN 78 -22.845 -10.395 -21.471 612 HE21 GLN 78 HE21 GLN 78 -24.064 -10.680 -24.279 613 HE22 GLN 78 HE22 GLN 78 -25.453 -9.606 -24.208 614 H LEU 79 H LEU 79 -19.004 -7.462 -22.245 615 HA LEU 79 HA LEU 79 -18.852 -5.159 -20.555 616 HB2 LEU 79 HB2 LEU 79 -16.745 -6.671 -22.147 617 HB3 LEU 79 HB3 LEU 79 -16.355 -5.391 -21.010 618 HG LEU 79 HG LEU 79 -17.894 -7.894 -20.193 619 HD11 LEU 79 HD11 LEU 79 -14.918 -7.317 -20.040 620 HD12 LEU 79 HD12 LEU 79 -15.745 -8.682 -19.251 621 HD13 LEU 79 HD13 LEU 79 -15.731 -8.572 -21.015 622 HD21 LEU 79 HD21 LEU 79 -17.077 -7.223 -17.913 623 HD22 LEU 79 HD22 LEU 79 -16.386 -5.755 -18.622 624 HD23 LEU 79 HD23 LEU 79 -18.145 -6.008 -18.621 625 H GLU 80 H GLU 80 -17.942 -5.442 -24.076 626 HA GLU 80 HA GLU 80 -17.187 -2.683 -24.196 627 HB2 GLU 80 HB2 GLU 80 -16.846 -2.920 -26.464 628 HB3 GLU 80 HB3 GLU 80 -16.420 -4.454 -25.744 629 HG2 GLU 80 HG2 GLU 80 -17.591 -5.365 -27.425 630 HG3 GLU 80 HG3 GLU 80 -19.019 -4.973 -26.481 631 H ILE 81 H ILE 81 -20.368 -4.203 -24.714 632 HA ILE 81 HA ILE 81 -21.697 -1.827 -25.672 633 HB ILE 81 HB ILE 81 -22.659 -4.363 -24.311 634 HG12 ILE 81 HG12 ILE 81 -23.111 -3.214 -27.111 635 HG13 ILE 81 HG13 ILE 81 -21.838 -4.358 -26.709 636 HG21 ILE 81 HG21 ILE 81 -24.238 -2.613 -23.581 637 HG22 ILE 81 HG22 ILE 81 -24.411 -2.046 -25.260 638 HG23 ILE 81 HG23 ILE 81 -24.997 -3.651 -24.767 639 HD11 ILE 81 HD11 ILE 81 -23.613 -5.604 -27.698 640 HD12 ILE 81 HD12 ILE 81 -23.609 -6.004 -25.969 641 HD13 ILE 81 HD13 ILE 81 -24.830 -4.891 -26.633 642 H ASN 82 H ASN 82 -21.138 -3.094 -22.345 643 HA ASN 82 HA ASN 82 -22.483 -0.910 -21.034 644 HB2 ASN 82 HB2 ASN 82 -21.672 -3.252 -20.114 645 HB3 ASN 82 HB3 ASN 82 -20.165 -2.429 -19.786 646 HD21 ASN 82 HD21 ASN 82 -21.913 -3.624 -17.845 647 HD22 ASN 82 HD22 ASN 82 -22.524 -2.322 -16.835 648 H GLY 83 H GLY 83 -19.114 -1.389 -22.114 649 HA2 GLY 83 HA2 GLY 83 -17.877 0.933 -21.064 650 HA3 GLY 83 HA3 GLY 83 -17.403 0.081 -22.541 651 H ARG 84 H ARG 84 -19.529 0.501 -24.257 652 HA ARG 84 HA ARG 84 -19.216 3.198 -25.195 653 HB2 ARG 84 HB2 ARG 84 -21.393 1.134 -25.740 654 HB3 ARG 84 HB3 ARG 84 -21.249 2.666 -26.607 655 HG2 ARG 84 HG2 ARG 84 -19.054 2.043 -27.488 656 HG3 ARG 84 HG3 ARG 84 -19.061 0.549 -26.546 657 HD2 ARG 84 HD2 ARG 84 -21.235 -0.064 -27.753 658 HD3 ARG 84 HD3 ARG 84 -20.915 1.277 -28.854 659 HE ARG 84 HE ARG 84 -19.559 -1.330 -28.654 660 HH11 ARG 84 HH11 ARG 84 -17.391 -0.808 -31.235 661 HH12 ARG 84 HH12 ARG 84 -18.008 -1.927 -30.030 662 HH21 ARG 84 HH21 ARG 84 -18.069 1.306 -31.257 663 HH22 ARG 84 HH22 ARG 84 -19.261 1.858 -30.112 664 H ASN 85 H ASN 85 -21.667 1.793 -23.063 665 HA ASN 85 HA ASN 85 -23.298 4.197 -22.930 666 HB2 ASN 85 HB2 ASN 85 -24.134 1.842 -22.676 667 HB3 ASN 85 HB3 ASN 85 -23.257 1.719 -21.149 668 HD21 ASN 85 HD21 ASN 85 -25.796 3.669 -22.813 669 HD22 ASN 85 HD22 ASN 85 -26.672 4.009 -21.329 670 H ASN 86 H ASN 86 -20.361 3.305 -21.382 671 HA ASN 86 HA ASN 86 -20.753 5.088 -19.025 672 HB2 ASN 86 HB2 ASN 86 -19.975 2.779 -18.732 673 HB3 ASN 86 HB3 ASN 86 -18.630 3.042 -19.827 674 HD21 ASN 86 HD21 ASN 86 -19.225 2.642 -16.674 675 HD22 ASN 86 HD22 ASN 86 -17.900 3.626 -16.032 676 H LEU 87 H LEU 87 -18.525 4.617 -21.785 677 HA LEU 87 HA LEU 87 -16.908 6.949 -21.243 678 HB2 LEU 87 HB2 LEU 87 -17.134 5.107 -23.658 679 HB3 LEU 87 HB3 LEU 87 -15.852 6.290 -23.423 680 HG LEU 87 HG LEU 87 -16.340 3.905 -21.579 681 HD11 LEU 87 HD11 LEU 87 -14.328 2.972 -22.610 682 HD12 LEU 87 HD12 LEU 87 -15.586 3.239 -23.828 683 HD13 LEU 87 HD13 LEU 87 -14.216 4.367 -23.709 684 HD21 LEU 87 HD21 LEU 87 -15.254 5.717 -20.369 685 HD22 LEU 87 HD22 LEU 87 -14.082 4.447 -20.715 686 HD23 LEU 87 HD23 LEU 87 -14.074 5.937 -21.687 687 H ILE 88 H ILE 88 -19.981 7.185 -22.145 688 HA ILE 88 HA ILE 88 -20.218 8.589 -24.534 689 HB ILE 88 HB ILE 88 -21.724 9.085 -21.936 690 HG12 ILE 88 HG12 ILE 88 -22.397 7.256 -24.292 691 HG13 ILE 88 HG13 ILE 88 -21.776 6.715 -22.733 692 HG21 ILE 88 HG21 ILE 88 -22.096 10.945 -23.542 693 HG22 ILE 88 HG22 ILE 88 -22.521 9.772 -24.808 694 HG23 ILE 88 HG23 ILE 88 -23.542 9.985 -23.369 695 HD11 ILE 88 HD11 ILE 88 -24.126 6.325 -22.742 696 HD12 ILE 88 HD12 ILE 88 -23.799 7.644 -21.606 697 HD13 ILE 88 HD13 ILE 88 -24.490 7.983 -23.217 698 H GLN 89 H GLN 89 -19.153 9.955 -21.409 699 HA GLN 89 HA GLN 89 -19.155 12.700 -22.153 700 HB2 GLN 89 HB2 GLN 89 -17.434 11.186 -20.157 701 HB3 GLN 89 HB3 GLN 89 -17.505 12.949 -20.281 702 HG2 GLN 89 HG2 GLN 89 -19.947 12.895 -19.828 703 HG3 GLN 89 HG3 GLN 89 -19.876 11.145 -19.614 704 HE21 GLN 89 HE21 GLN 89 -20.224 13.776 -17.758 705 HE22 GLN 89 HE22 GLN 89 -19.267 13.282 -16.368 706 H GLN 90 H GLN 90 -16.878 10.199 -23.121 707 HA GLN 90 HA GLN 90 -14.627 11.871 -23.719 708 HB2 GLN 90 HB2 GLN 90 -14.703 9.355 -23.445 709 HB3 GLN 90 HB3 GLN 90 -15.438 9.257 -25.052 710 HG2 GLN 90 HG2 GLN 90 -13.414 10.266 -26.050 711 HG3 GLN 90 HG3 GLN 90 -12.712 10.487 -24.443 712 HE21 GLN 90 HE21 GLN 90 -13.409 8.130 -26.999 713 HE22 GLN 90 HE22 GLN 90 -12.521 6.817 -26.237 714 H LYS 91 H LYS 91 -17.675 11.442 -25.367 715 HA LYS 91 HA LYS 91 -16.866 12.238 -28.036 716 HB2 LYS 91 HB2 LYS 91 -19.593 12.304 -26.668 717 HB3 LYS 91 HB3 LYS 91 -19.305 12.506 -28.398 718 HG2 LYS 91 HG2 LYS 91 -18.360 10.228 -28.546 719 HG3 LYS 91 HG3 LYS 91 -18.637 9.983 -26.811 720 HD2 LYS 91 HD2 LYS 91 -21.073 10.313 -27.142 721 HD3 LYS 91 HD3 LYS 91 -20.800 10.546 -28.885 722 HE2 LYS 91 HE2 LYS 91 -19.791 8.263 -29.007 723 HE3 LYS 91 HE3 LYS 91 -20.121 8.032 -27.286 724 HZ1 LYS 91 HZ1 LYS 91 -21.869 7.054 -28.661 725 HZ2 LYS 91 HZ2 LYS 91 -22.505 8.278 -27.788 726 HZ3 LYS 91 HZ3 LYS 91 -22.187 8.483 -29.378 727 H ASN 92 H ASN 92 -17.241 14.103 -25.177 728 HA ASN 92 HA ASN 92 -18.256 16.557 -26.140 729 HB2 ASN 92 HB2 ASN 92 -17.987 15.949 -23.754 730 HB3 ASN 92 HB3 ASN 92 -16.230 15.995 -23.930 731 HD21 ASN 92 HD21 ASN 92 -16.460 17.560 -22.089 732 HD22 ASN 92 HD22 ASN 92 -16.775 19.241 -22.504 Start of MODEL 16 1 H MET 1 H MET 1 -5.925 16.410 -17.690 2 HA MET 1 HA MET 1 -8.431 16.780 -18.456 3 HB2 MET 1 HB2 MET 1 -6.659 14.556 -19.570 4 HB3 MET 1 HB3 MET 1 -8.100 15.189 -20.363 5 HG2 MET 1 HG2 MET 1 -6.351 16.280 -21.417 6 HG3 MET 1 HG3 MET 1 -7.041 17.481 -20.334 7 HE1 MET 1 HE1 MET 1 -4.959 19.044 -20.726 8 HE2 MET 1 HE2 MET 1 -3.271 18.516 -20.553 9 HE3 MET 1 HE3 MET 1 -4.284 17.838 -21.846 10 H ALA 2 H ALA 2 -7.774 14.335 -16.287 11 HA ALA 2 HA ALA 2 -10.513 13.180 -16.521 12 HB1 ALA 2 HB1 ALA 2 -9.605 10.909 -16.266 13 HB2 ALA 2 HB2 ALA 2 -8.931 11.682 -17.710 14 HB3 ALA 2 HB3 ALA 2 -7.948 11.552 -16.233 15 H VAL 3 H VAL 3 -8.874 15.042 -14.590 16 HA VAL 3 HA VAL 3 -8.590 13.770 -12.076 17 HB VAL 3 HB VAL 3 -8.676 16.022 -11.090 18 HG11 VAL 3 HG11 VAL 3 -6.728 16.927 -12.219 19 HG12 VAL 3 HG12 VAL 3 -6.599 15.163 -12.127 20 HG13 VAL 3 HG13 VAL 3 -7.042 15.944 -13.661 21 HG21 VAL 3 HG21 VAL 3 -8.936 18.018 -12.481 22 HG22 VAL 3 HG22 VAL 3 -9.331 17.031 -13.898 23 HG23 VAL 3 HG23 VAL 3 -10.427 17.073 -12.499 24 H SER 4 H SER 4 -11.548 14.599 -13.646 25 HA SER 4 HA SER 4 -13.237 14.817 -11.297 26 HB2 SER 4 HB2 SER 4 -15.056 14.641 -13.015 27 HB3 SER 4 HB3 SER 4 -13.871 15.918 -13.340 28 HG SER 4 HG SER 4 -14.348 14.662 -15.216 29 H VAL 5 H VAL 5 -11.806 12.080 -12.844 30 HA VAL 5 HA VAL 5 -13.780 10.261 -11.531 31 HB VAL 5 HB VAL 5 -13.435 8.626 -13.335 32 HG11 VAL 5 HG11 VAL 5 -15.425 10.084 -13.267 33 HG12 VAL 5 HG12 VAL 5 -14.589 11.269 -14.295 34 HG13 VAL 5 HG13 VAL 5 -14.960 9.650 -14.920 35 HG21 VAL 5 HG21 VAL 5 -12.560 9.266 -15.499 36 HG22 VAL 5 HG22 VAL 5 -12.191 10.902 -14.928 37 HG23 VAL 5 HG23 VAL 5 -11.295 9.507 -14.284 38 H THR 6 H THR 6 -13.087 8.177 -11.056 39 HA THR 6 HA THR 6 -10.243 7.612 -10.481 40 HB THR 6 HB THR 6 -10.886 7.048 -8.116 41 HG1 THR 6 HG1 THR 6 -12.855 7.948 -7.366 42 HG21 THR 6 HG21 THR 6 -10.930 9.244 -7.172 43 HG22 THR 6 HG22 THR 6 -9.898 9.300 -8.611 44 HG23 THR 6 HG23 THR 6 -11.549 9.959 -8.673 45 HA PRO 7 HA PRO 7 -11.389 3.425 -11.430 46 HB2 PRO 7 HB2 PRO 7 -10.817 2.563 -8.593 47 HB3 PRO 7 HB3 PRO 7 -10.327 1.784 -10.132 48 HG2 PRO 7 HG2 PRO 7 -8.551 3.306 -8.779 49 HG3 PRO 7 HG3 PRO 7 -8.699 3.495 -10.558 50 HD2 PRO 7 HD2 PRO 7 -9.895 5.206 -8.375 51 HD3 PRO 7 HD3 PRO 7 -9.063 5.722 -9.876 52 H ILE 8 H ILE 8 -12.711 4.360 -8.243 53 HA ILE 8 HA ILE 8 -15.004 2.613 -8.413 54 HB ILE 8 HB ILE 8 -15.763 3.708 -6.384 55 HG12 ILE 8 HG12 ILE 8 -13.374 5.592 -6.657 56 HG13 ILE 8 HG13 ILE 8 -15.054 6.049 -6.957 57 HG21 ILE 8 HG21 ILE 8 -12.757 3.160 -6.311 58 HG22 ILE 8 HG22 ILE 8 -13.920 2.957 -4.983 59 HG23 ILE 8 HG23 ILE 8 -14.011 1.912 -6.404 60 HD11 ILE 8 HD11 ILE 8 -14.433 6.783 -4.749 61 HD12 ILE 8 HD12 ILE 8 -15.618 5.471 -4.594 62 HD13 ILE 8 HD13 ILE 8 -13.891 5.162 -4.290 63 H ARG 9 H ARG 9 -14.426 5.378 -10.141 64 HA ARG 9 HA ARG 9 -17.335 5.987 -10.590 65 HB2 ARG 9 HB2 ARG 9 -14.872 7.735 -11.013 66 HB3 ARG 9 HB3 ARG 9 -16.519 8.183 -11.445 67 HG2 ARG 9 HG2 ARG 9 -17.209 8.139 -9.095 68 HG3 ARG 9 HG3 ARG 9 -15.573 7.654 -8.602 69 HD2 ARG 9 HD2 ARG 9 -14.634 9.724 -9.515 70 HD3 ARG 9 HD3 ARG 9 -16.234 10.213 -10.118 71 HE ARG 9 HE ARG 9 -16.294 9.712 -7.278 72 HH11 ARG 9 HH11 ARG 9 -16.080 13.001 -6.314 73 HH12 ARG 9 HH12 ARG 9 -16.471 11.378 -5.831 74 HH21 ARG 9 HH21 ARG 9 -15.423 13.458 -8.346 75 HH22 ARG 9 HH22 ARG 9 -15.255 12.216 -9.554 76 H ASP 10 H ASP 10 -14.962 4.150 -11.861 77 HA ASP 10 HA ASP 10 -15.863 4.573 -14.694 78 HB2 ASP 10 HB2 ASP 10 -13.685 5.669 -14.245 79 HB3 ASP 10 HB3 ASP 10 -13.025 4.128 -13.701 80 H THR 11 H THR 11 -14.429 2.209 -12.367 81 HA THR 11 HA THR 11 -14.533 -0.010 -14.181 82 HB THR 11 HB THR 11 -14.339 -1.448 -12.148 83 HG1 THR 11 HG1 THR 11 -14.160 1.015 -10.758 84 HG21 THR 11 HG21 THR 11 -12.102 -0.681 -11.473 85 HG22 THR 11 HG22 THR 11 -12.324 -0.704 -13.227 86 HG23 THR 11 HG23 THR 11 -12.357 0.847 -12.351 87 H LYS 12 H LYS 12 -17.216 1.542 -12.853 88 HA LYS 12 HA LYS 12 -18.941 -0.537 -12.095 89 HB2 LYS 12 HB2 LYS 12 -19.407 1.893 -11.879 90 HB3 LYS 12 HB3 LYS 12 -19.607 2.017 -13.625 91 HG2 LYS 12 HG2 LYS 12 -21.757 1.997 -12.519 92 HG3 LYS 12 HG3 LYS 12 -21.601 0.559 -13.522 93 HD2 LYS 12 HD2 LYS 12 -21.082 -0.806 -11.520 94 HD3 LYS 12 HD3 LYS 12 -21.171 0.626 -10.490 95 HE2 LYS 12 HE2 LYS 12 -23.469 -0.461 -12.187 96 HE3 LYS 12 HE3 LYS 12 -23.207 -0.879 -10.493 97 HZ1 LYS 12 HZ1 LYS 12 -23.753 1.865 -11.494 98 HZ2 LYS 12 HZ2 LYS 12 -24.797 0.919 -10.677 99 HZ3 LYS 12 HZ3 LYS 12 -23.463 1.481 -9.928 100 H TRP 13 H TRP 13 -18.131 0.468 -15.413 101 HA TRP 13 HA TRP 13 -20.037 -1.293 -16.699 102 HB2 TRP 13 HB2 TRP 13 -19.464 -0.172 -18.488 103 HB3 TRP 13 HB3 TRP 13 -18.431 0.822 -17.512 104 HD1 TRP 13 HD1 TRP 13 -18.189 -2.425 -19.609 105 HE1 TRP 13 HE1 TRP 13 -16.037 -2.409 -20.963 106 HE3 TRP 13 HE3 TRP 13 -16.087 1.858 -17.729 107 HZ2 TRP 13 HZ2 TRP 13 -13.658 -0.801 -21.173 108 HZ3 TRP 13 HZ3 TRP 13 -13.850 2.586 -18.519 109 HH2 TRP 13 HH2 TRP 13 -12.630 1.278 -20.238 110 H LEU 14 H LEU 14 -16.783 -1.708 -15.559 111 HA LEU 14 HA LEU 14 -16.301 -4.280 -16.857 112 HB2 LEU 14 HB2 LEU 14 -14.768 -2.621 -14.804 113 HB3 LEU 14 HB3 LEU 14 -14.142 -4.078 -15.528 114 HG LEU 14 HG LEU 14 -14.918 -1.587 -17.117 115 HD11 LEU 14 HD11 LEU 14 -13.056 -1.116 -15.585 116 HD12 LEU 14 HD12 LEU 14 -12.191 -2.549 -16.179 117 HD13 LEU 14 HD13 LEU 14 -12.503 -1.165 -17.262 118 HD21 LEU 14 HD21 LEU 14 -13.522 -2.599 -18.897 119 HD22 LEU 14 HD22 LEU 14 -13.261 -4.035 -17.897 120 HD23 LEU 14 HD23 LEU 14 -14.891 -3.636 -18.500 121 H THR 15 H THR 15 -17.817 -3.320 -13.926 122 HA THR 15 HA THR 15 -17.007 -5.620 -12.330 123 HB THR 15 HB THR 15 -19.301 -3.764 -11.722 124 HG1 THR 15 HG1 THR 15 -17.215 -2.674 -12.086 125 HG21 THR 15 HG21 THR 15 -19.226 -5.665 -10.238 126 HG22 THR 15 HG22 THR 15 -17.470 -5.469 -9.984 127 HG23 THR 15 HG23 THR 15 -18.608 -4.258 -9.365 128 H LEU 16 H LEU 16 -17.454 -7.228 -13.776 129 HA LEU 16 HA LEU 16 -20.044 -7.947 -14.839 130 HB2 LEU 16 HB2 LEU 16 -17.279 -8.510 -15.224 131 HB3 LEU 16 HB3 LEU 16 -17.929 -10.030 -14.665 132 HG LEU 16 HG LEU 16 -19.046 -8.437 -17.009 133 HD11 LEU 16 HD11 LEU 16 -16.678 -9.199 -17.316 134 HD12 LEU 16 HD12 LEU 16 -17.203 -10.862 -17.027 135 HD13 LEU 16 HD13 LEU 16 -17.817 -9.947 -18.429 136 HD21 LEU 16 HD21 LEU 16 -20.086 -10.613 -17.633 137 HD22 LEU 16 HD22 LEU 16 -19.519 -11.312 -16.098 138 HD23 LEU 16 HD23 LEU 16 -20.710 -9.992 -16.106 139 H GLU 17 H GLU 17 -21.500 -9.585 -14.062 140 HA GLU 17 HA GLU 17 -21.212 -10.309 -11.248 141 HB2 GLU 17 HB2 GLU 17 -23.245 -11.456 -13.173 142 HB3 GLU 17 HB3 GLU 17 -23.276 -11.416 -11.405 143 HG2 GLU 17 HG2 GLU 17 -23.129 -8.785 -11.796 144 HG3 GLU 17 HG3 GLU 17 -23.779 -9.208 -13.383 145 H VAL 18 H VAL 18 -21.046 -12.392 -10.329 146 HA VAL 18 HA VAL 18 -19.391 -14.268 -11.896 147 HB VAL 18 HB VAL 18 -19.048 -15.513 -9.908 148 HG11 VAL 18 HG11 VAL 18 -17.946 -13.902 -8.487 149 HG12 VAL 18 HG12 VAL 18 -17.752 -13.430 -10.183 150 HG13 VAL 18 HG13 VAL 18 -18.917 -12.571 -9.142 151 HG21 VAL 18 HG21 VAL 18 -20.031 -14.872 -7.705 152 HG22 VAL 18 HG22 VAL 18 -21.170 -13.813 -8.552 153 HG23 VAL 18 HG23 VAL 18 -21.209 -15.553 -8.840 154 H CYS 19 H CYS 19 -19.922 -16.557 -12.121 155 HA CYS 19 HA CYS 19 -22.704 -16.973 -12.820 156 HB2 CYS 19 HB2 CYS 19 -20.768 -17.924 -14.074 157 HB3 CYS 19 HB3 CYS 19 -20.419 -18.954 -12.689 158 H ARG 20 H ARG 20 -24.266 -17.901 -11.651 159 HA ARG 20 HA ARG 20 -23.986 -18.278 -8.799 160 HB2 ARG 20 HB2 ARG 20 -26.302 -19.020 -10.634 161 HB3 ARG 20 HB3 ARG 20 -26.330 -19.011 -8.876 162 HG2 ARG 20 HG2 ARG 20 -27.391 -17.025 -9.530 163 HG3 ARG 20 HG3 ARG 20 -25.811 -16.540 -8.902 164 HD2 ARG 20 HD2 ARG 20 -24.992 -16.030 -11.088 165 HD3 ARG 20 HD3 ARG 20 -26.289 -16.940 -11.879 166 HE ARG 20 HE ARG 20 -27.870 -15.198 -11.022 167 HH11 ARG 20 HH11 ARG 20 -25.082 -12.502 -11.782 168 HH12 ARG 20 HH12 ARG 20 -24.486 -14.145 -11.514 169 HH21 ARG 20 HH21 ARG 20 -26.993 -11.939 -11.673 170 HH22 ARG 20 HH22 ARG 20 -28.334 -13.042 -11.367 171 H GLU 21 H GLU 21 -23.860 -20.569 -11.473 172 HA GLU 21 HA GLU 21 -24.160 -22.883 -9.680 173 HB2 GLU 21 HB2 GLU 21 -23.338 -22.679 -12.585 174 HB3 GLU 21 HB3 GLU 21 -23.684 -24.184 -11.723 175 HG2 GLU 21 HG2 GLU 21 -25.701 -21.942 -12.219 176 HG3 GLU 21 HG3 GLU 21 -25.565 -23.413 -13.167 177 H PHE 22 H PHE 22 -21.556 -21.049 -11.221 178 HA PHE 22 HA PHE 22 -19.370 -22.785 -10.470 179 HB2 PHE 22 HB2 PHE 22 -19.305 -21.000 -12.175 180 HB3 PHE 22 HB3 PHE 22 -19.495 -19.788 -10.931 181 HD1 PHE 22 HD1 PHE 22 -17.210 -22.331 -12.365 182 HD2 PHE 22 HD2 PHE 22 -17.609 -19.008 -9.649 183 HE1 PHE 22 HE1 PHE 22 -14.734 -22.235 -12.112 184 HE2 PHE 22 HE2 PHE 22 -15.137 -18.879 -9.438 185 HZ PHE 22 HZ PHE 22 -13.697 -20.504 -10.652 186 H GLN 23 H GLN 23 -21.169 -20.193 -8.868 187 HA GLN 23 HA GLN 23 -19.573 -20.050 -6.453 188 HB2 GLN 23 HB2 GLN 23 -22.450 -19.296 -7.106 189 HB3 GLN 23 HB3 GLN 23 -21.799 -19.093 -5.493 190 HG2 GLN 23 HG2 GLN 23 -20.557 -17.807 -7.952 191 HG3 GLN 23 HG3 GLN 23 -21.789 -17.041 -6.954 192 HE21 GLN 23 HE21 GLN 23 -18.400 -17.470 -7.334 193 HE22 GLN 23 HE22 GLN 23 -17.942 -16.878 -5.745 194 H ARG 24 H ARG 24 -21.782 -22.398 -7.598 195 HA ARG 24 HA ARG 24 -22.118 -23.675 -4.926 196 HB2 ARG 24 HB2 ARG 24 -23.662 -23.895 -7.515 197 HB3 ARG 24 HB3 ARG 24 -23.916 -24.979 -6.140 198 HG2 ARG 24 HG2 ARG 24 -24.566 -23.124 -4.699 199 HG3 ARG 24 HG3 ARG 24 -24.142 -21.945 -5.945 200 HD2 ARG 24 HD2 ARG 24 -26.489 -22.189 -6.020 201 HD3 ARG 24 HD3 ARG 24 -25.812 -22.960 -7.461 202 HE ARG 24 HE ARG 24 -26.631 -24.498 -5.010 203 HH11 ARG 24 HH11 ARG 24 -27.761 -25.748 -8.623 204 HH12 ARG 24 HH12 ARG 24 -26.929 -24.229 -8.559 205 HH21 ARG 24 HH21 ARG 24 -28.205 -26.912 -6.843 206 HH22 ARG 24 HH22 ARG 24 -27.707 -26.390 -5.263 207 H GLY 25 H GLY 25 -19.948 -23.799 -7.375 208 HA2 GLY 25 HA2 GLY 25 -18.403 -25.310 -8.122 209 HA3 GLY 25 HA3 GLY 25 -18.822 -26.337 -6.743 210 H THR 26 H THR 26 -21.083 -25.368 -9.331 211 HA THR 26 HA THR 26 -21.065 -28.135 -10.442 212 HB THR 26 HB THR 26 -22.668 -27.921 -8.549 213 HG1 THR 26 HG1 THR 26 -23.708 -28.487 -11.107 214 HG21 THR 26 HG21 THR 26 -23.500 -25.623 -8.984 215 HG22 THR 26 HG22 THR 26 -24.341 -26.212 -10.431 216 HG23 THR 26 HG23 THR 26 -24.792 -26.820 -8.826 217 H CYS 27 H CYS 27 -20.397 -25.257 -11.534 218 HA CYS 27 HA CYS 27 -22.260 -24.872 -13.688 219 HB2 CYS 27 HB2 CYS 27 -20.648 -23.162 -12.732 220 HB3 CYS 27 HB3 CYS 27 -19.361 -23.952 -13.647 221 H SER 28 H SER 28 -21.456 -24.988 -16.032 222 HA SER 28 HA SER 28 -20.200 -27.660 -16.631 223 HB2 SER 28 HB2 SER 28 -22.730 -26.538 -17.877 224 HB3 SER 28 HB3 SER 28 -21.937 -28.058 -18.322 225 HG SER 28 HG SER 28 -23.679 -28.375 -16.860 226 H ARG 29 H ARG 29 -19.607 -24.498 -17.165 227 HA ARG 29 HA ARG 29 -18.384 -24.954 -19.874 228 HB2 ARG 29 HB2 ARG 29 -20.028 -22.605 -18.873 229 HB3 ARG 29 HB3 ARG 29 -18.973 -22.543 -20.276 230 HG2 ARG 29 HG2 ARG 29 -20.295 -24.366 -21.357 231 HG3 ARG 29 HG3 ARG 29 -21.406 -24.359 -19.964 232 HD2 ARG 29 HD2 ARG 29 -21.925 -21.983 -20.373 233 HD3 ARG 29 HD3 ARG 29 -20.766 -21.968 -21.714 234 HE ARG 29 HE ARG 29 -22.927 -23.936 -21.963 235 HH11 ARG 29 HH11 ARG 29 -24.427 -23.685 -23.581 236 HH12 ARG 29 HH12 ARG 29 -24.493 -22.208 -24.493 237 HH21 ARG 29 HH21 ARG 29 -23.137 -20.542 -24.058 238 HH22 ARG 29 HH22 ARG 29 -21.883 -20.686 -22.849 239 HA PRO 30 HA PRO 30 -14.859 -22.992 -17.794 240 HB2 PRO 30 HB2 PRO 30 -13.334 -22.283 -19.949 241 HB3 PRO 30 HB3 PRO 30 -13.530 -23.986 -19.437 242 HG2 PRO 30 HG2 PRO 30 -15.066 -22.509 -21.600 243 HG3 PRO 30 HG3 PRO 30 -14.247 -24.099 -21.720 244 HD2 PRO 30 HD2 PRO 30 -16.919 -23.920 -21.226 245 HD3 PRO 30 HD3 PRO 30 -15.918 -25.159 -20.432 246 H ASP 31 H ASP 31 -13.818 -20.755 -17.807 247 HA ASP 31 HA ASP 31 -15.698 -18.639 -17.730 248 HB2 ASP 31 HB2 ASP 31 -13.446 -18.745 -16.602 249 HB3 ASP 31 HB3 ASP 31 -12.692 -18.464 -18.161 250 H THR 32 H THR 32 -13.755 -19.811 -20.422 251 HA THR 32 HA THR 32 -14.157 -17.617 -22.245 252 HB THR 32 HB THR 32 -13.318 -19.287 -23.939 253 HG1 THR 32 HG1 THR 32 -12.485 -21.197 -23.076 254 HG21 THR 32 HG21 THR 32 -11.626 -18.941 -21.424 255 HG22 THR 32 HG22 THR 32 -11.039 -19.307 -23.061 256 HG23 THR 32 HG23 THR 32 -11.803 -17.745 -22.729 257 H GLU 33 H GLU 33 -16.424 -19.909 -21.198 258 HA GLU 33 HA GLU 33 -18.050 -19.582 -23.704 259 HB2 GLU 33 HB2 GLU 33 -17.343 -22.049 -22.129 260 HB3 GLU 33 HB3 GLU 33 -18.848 -22.015 -23.010 261 HG2 GLU 33 HG2 GLU 33 -17.545 -21.390 -25.098 262 HG3 GLU 33 HG3 GLU 33 -16.056 -21.635 -24.181 263 H CYS 34 H CYS 34 -18.165 -19.546 -20.165 264 HA CYS 34 HA CYS 34 -21.007 -19.947 -20.050 265 HB2 CYS 34 HB2 CYS 34 -19.214 -20.371 -18.256 266 HB3 CYS 34 HB3 CYS 34 -19.371 -18.663 -17.852 267 H LYS 35 H LYS 35 -22.383 -18.389 -18.819 268 HA LYS 35 HA LYS 35 -22.698 -15.907 -20.431 269 HB2 LYS 35 HB2 LYS 35 -24.561 -17.302 -18.479 270 HB3 LYS 35 HB3 LYS 35 -24.962 -15.842 -19.397 271 HG2 LYS 35 HG2 LYS 35 -24.518 -17.089 -21.533 272 HG3 LYS 35 HG3 LYS 35 -24.301 -18.571 -20.594 273 HD2 LYS 35 HD2 LYS 35 -26.837 -16.882 -20.722 274 HD3 LYS 35 HD3 LYS 35 -26.557 -18.416 -21.562 275 HE2 LYS 35 HE2 LYS 35 -26.242 -19.547 -19.358 276 HE3 LYS 35 HE3 LYS 35 -26.587 -18.019 -18.539 277 HZ1 LYS 35 HZ1 LYS 35 -28.807 -18.051 -19.554 278 HZ2 LYS 35 HZ2 LYS 35 -28.490 -19.467 -20.308 279 HZ3 LYS 35 HZ3 LYS 35 -28.576 -19.409 -18.680 280 H PHE 36 H PHE 36 -21.407 -16.670 -17.442 281 HA PHE 36 HA PHE 36 -21.276 -13.834 -16.592 282 HB2 PHE 36 HB2 PHE 36 -22.024 -16.152 -14.791 283 HB3 PHE 36 HB3 PHE 36 -21.661 -14.521 -14.240 284 HD1 PHE 36 HD1 PHE 36 -24.295 -16.721 -14.983 285 HD2 PHE 36 HD2 PHE 36 -23.121 -12.587 -15.326 286 HE1 PHE 36 HE1 PHE 36 -26.687 -16.045 -15.045 287 HE2 PHE 36 HE2 PHE 36 -25.513 -11.912 -15.380 288 HZ PHE 36 HZ PHE 36 -27.298 -13.640 -15.238 289 H ALA 37 H ALA 37 -19.521 -13.710 -14.715 290 HA ALA 37 HA ALA 37 -17.132 -14.919 -15.895 291 HB1 ALA 37 HB1 ALA 37 -17.561 -12.998 -13.586 292 HB2 ALA 37 HB2 ALA 37 -15.990 -13.403 -14.327 293 HB3 ALA 37 HB3 ALA 37 -17.227 -12.560 -15.276 294 H HIS 38 H HIS 38 -15.553 -16.131 -14.904 295 HA HIS 38 HA HIS 38 -16.252 -17.617 -12.401 296 HB2 HIS 38 HB2 HIS 38 -14.850 -18.607 -14.899 297 HB3 HIS 38 HB3 HIS 38 -15.000 -19.515 -13.408 298 HD1 HIS 38 HD1 HIS 38 -16.203 -20.648 -16.126 299 HD2 HIS 38 HD2 HIS 38 -18.279 -18.495 -13.177 300 HE1 HIS 38 HE1 HIS 38 -18.673 -21.248 -16.383 301 HA PRO 39 HA PRO 39 -12.341 -15.237 -11.634 302 HB2 PRO 39 HB2 PRO 39 -12.534 -15.272 -8.844 303 HB3 PRO 39 HB3 PRO 39 -13.214 -14.028 -9.916 304 HG2 PRO 39 HG2 PRO 39 -14.566 -16.435 -8.699 305 HG3 PRO 39 HG3 PRO 39 -15.197 -14.766 -8.831 306 HD2 PRO 39 HD2 PRO 39 -15.968 -16.715 -10.541 307 HD3 PRO 39 HD3 PRO 39 -15.704 -15.049 -11.132 308 H SER 40 H SER 40 -10.305 -15.822 -10.980 309 HA SER 40 HA SER 40 -9.754 -18.672 -10.496 310 HB2 SER 40 HB2 SER 40 -7.455 -18.077 -10.830 311 HB3 SER 40 HB3 SER 40 -8.396 -17.212 -12.067 312 HG SER 40 HG SER 40 -6.882 -15.839 -11.065 313 H LYS 41 H LYS 41 -7.753 -18.932 -8.956 314 HA LYS 41 HA LYS 41 -8.490 -18.512 -6.207 315 HB2 LYS 41 HB2 LYS 41 -5.881 -19.264 -7.599 316 HB3 LYS 41 HB3 LYS 41 -6.095 -19.336 -5.852 317 HG2 LYS 41 HG2 LYS 41 -7.579 -20.995 -7.937 318 HG3 LYS 41 HG3 LYS 41 -6.307 -21.551 -6.862 319 HD2 LYS 41 HD2 LYS 41 -9.105 -20.671 -6.027 320 HD3 LYS 41 HD3 LYS 41 -8.486 -22.321 -6.103 321 HE2 LYS 41 HE2 LYS 41 -6.774 -21.755 -4.375 322 HE3 LYS 41 HE3 LYS 41 -7.445 -20.123 -4.257 323 HZ1 LYS 41 HZ1 LYS 41 -9.554 -21.117 -3.534 324 HZ2 LYS 41 HZ2 LYS 41 -8.929 -22.624 -3.640 325 HZ3 LYS 41 HZ3 LYS 41 -8.347 -21.575 -2.535 326 H SER 42 H SER 42 -6.927 -16.371 -8.430 327 HA SER 42 HA SER 42 -5.840 -14.688 -6.207 328 HB2 SER 42 HB2 SER 42 -5.114 -14.692 -9.151 329 HB3 SER 42 HB3 SER 42 -4.403 -13.657 -7.897 330 HG SER 42 HG SER 42 -3.103 -15.482 -8.216 331 H CYS 43 H CYS 43 -8.407 -14.663 -8.612 332 HA CYS 43 HA CYS 43 -8.620 -11.807 -8.825 333 HB2 CYS 43 HB2 CYS 43 -10.619 -14.044 -9.337 334 HB3 CYS 43 HB3 CYS 43 -10.890 -12.342 -9.747 335 HG CYS 43 HG CYS 43 -8.367 -14.293 -10.718 336 H GLN 44 H GLN 44 -10.231 -10.422 -7.985 337 HA GLN 44 HA GLN 44 -11.193 -11.139 -5.231 338 HB2 GLN 44 HB2 GLN 44 -10.357 -8.480 -6.454 339 HB3 GLN 44 HB3 GLN 44 -11.253 -8.624 -4.932 340 HG2 GLN 44 HG2 GLN 44 -9.458 -10.095 -4.025 341 HG3 GLN 44 HG3 GLN 44 -8.519 -9.843 -5.504 342 HE21 GLN 44 HE21 GLN 44 -10.049 -8.013 -2.763 343 HE22 GLN 44 HE22 GLN 44 -8.832 -6.746 -2.781 344 H VAL 45 H VAL 45 -13.278 -10.840 -4.646 345 HA VAL 45 HA VAL 45 -15.185 -9.797 -6.624 346 HB VAL 45 HB VAL 45 -16.090 -11.676 -7.025 347 HG11 VAL 45 HG11 VAL 45 -14.235 -13.133 -5.149 348 HG12 VAL 45 HG12 VAL 45 -15.242 -13.867 -6.416 349 HG13 VAL 45 HG13 VAL 45 -13.947 -12.762 -6.873 350 HG21 VAL 45 HG21 VAL 45 -16.552 -12.275 -4.115 351 HG22 VAL 45 HG22 VAL 45 -17.667 -11.471 -5.261 352 HG23 VAL 45 HG23 VAL 45 -17.251 -13.162 -5.489 353 H GLU 46 H GLU 46 -17.108 -8.968 -5.890 354 HA GLU 46 HA GLU 46 -17.631 -8.701 -2.992 355 HB2 GLU 46 HB2 GLU 46 -17.266 -6.318 -4.870 356 HB3 GLU 46 HB3 GLU 46 -18.017 -6.234 -3.275 357 HG2 GLU 46 HG2 GLU 46 -15.872 -7.084 -2.266 358 HG3 GLU 46 HG3 GLU 46 -15.120 -6.954 -3.862 359 H ASN 47 H ASN 47 -19.817 -8.511 -2.550 360 HA ASN 47 HA ASN 47 -22.022 -8.925 -2.863 361 HB2 ASN 47 HB2 ASN 47 -21.601 -6.413 -3.166 362 HB3 ASN 47 HB3 ASN 47 -21.813 -6.690 -4.900 363 HD21 ASN 47 HD21 ASN 47 -23.515 -7.405 -1.770 364 HD22 ASN 47 HD22 ASN 47 -25.103 -7.035 -2.426 365 H GLY 48 H GLY 48 -20.461 -10.680 -4.598 366 HA2 GLY 48 HA2 GLY 48 -21.096 -12.398 -6.049 367 HA3 GLY 48 HA3 GLY 48 -22.631 -11.574 -6.354 368 H ARG 49 H ARG 49 -19.653 -9.764 -6.801 369 HA ARG 49 HA ARG 49 -19.651 -10.200 -9.739 370 HB2 ARG 49 HB2 ARG 49 -19.630 -7.409 -8.516 371 HB3 ARG 49 HB3 ARG 49 -19.720 -7.862 -10.224 372 HG2 ARG 49 HG2 ARG 49 -21.954 -8.977 -9.694 373 HG3 ARG 49 HG3 ARG 49 -21.863 -8.215 -8.105 374 HD2 ARG 49 HD2 ARG 49 -21.814 -5.979 -9.200 375 HD3 ARG 49 HD3 ARG 49 -21.889 -6.769 -10.782 376 HE ARG 49 HE ARG 49 -24.141 -7.389 -10.415 377 HH11 ARG 49 HH11 ARG 49 -24.431 -6.348 -6.585 378 HH12 ARG 49 HH12 ARG 49 -22.975 -5.951 -7.447 379 HH21 ARG 49 HH21 ARG 49 -26.191 -7.199 -7.760 380 HH22 ARG 49 HH22 ARG 49 -25.900 -7.766 -9.409 381 H VAL 50 H VAL 50 -17.868 -9.309 -10.819 382 HA VAL 50 HA VAL 50 -15.299 -9.108 -9.310 383 HB VAL 50 HB VAL 50 -14.325 -10.554 -11.143 384 HG11 VAL 50 HG11 VAL 50 -14.536 -11.430 -8.906 385 HG12 VAL 50 HG12 VAL 50 -16.237 -11.871 -9.206 386 HG13 VAL 50 HG13 VAL 50 -14.938 -12.691 -10.076 387 HG21 VAL 50 HG21 VAL 50 -17.204 -11.499 -11.567 388 HG22 VAL 50 HG22 VAL 50 -16.202 -10.651 -12.760 389 HG23 VAL 50 HG23 VAL 50 -15.748 -12.264 -12.195 390 H ILE 51 H ILE 51 -13.845 -7.686 -10.220 391 HA ILE 51 HA ILE 51 -14.897 -6.015 -12.428 392 HB ILE 51 HB ILE 51 -12.470 -5.603 -10.653 393 HG12 ILE 51 HG12 ILE 51 -15.334 -4.619 -10.544 394 HG13 ILE 51 HG13 ILE 51 -14.477 -5.581 -9.339 395 HG21 ILE 51 HG21 ILE 51 -12.296 -4.440 -12.867 396 HG22 ILE 51 HG22 ILE 51 -13.896 -3.717 -12.596 397 HG23 ILE 51 HG23 ILE 51 -12.512 -3.297 -11.559 398 HD11 ILE 51 HD11 ILE 51 -13.020 -3.626 -8.840 399 HD12 ILE 51 HD12 ILE 51 -14.024 -2.649 -9.949 400 HD13 ILE 51 HD13 ILE 51 -14.753 -3.371 -8.511 401 H ALA 52 H ALA 52 -14.226 -6.102 -14.467 402 HA ALA 52 HA ALA 52 -12.339 -8.132 -15.327 403 HB1 ALA 52 HB1 ALA 52 -14.359 -7.672 -16.611 404 HB2 ALA 52 HB2 ALA 52 -13.862 -5.987 -16.859 405 HB3 ALA 52 HB3 ALA 52 -12.925 -7.306 -17.587 406 H CYS 53 H CYS 53 -10.357 -7.838 -16.380 407 HA CYS 53 HA CYS 53 -8.711 -5.792 -15.267 408 HB2 CYS 53 HB2 CYS 53 -8.071 -8.162 -15.725 409 HB3 CYS 53 HB3 CYS 53 -7.994 -7.778 -17.446 410 H PHE 54 H PHE 54 -9.122 -3.784 -15.841 411 HA PHE 54 HA PHE 54 -9.655 -2.781 -18.476 412 HB2 PHE 54 HB2 PHE 54 -8.959 -0.580 -17.511 413 HB3 PHE 54 HB3 PHE 54 -10.221 -1.398 -16.623 414 HD1 PHE 54 HD1 PHE 54 -9.878 -2.235 -14.345 415 HD2 PHE 54 HD2 PHE 54 -6.684 -0.324 -16.530 416 HE1 PHE 54 HE1 PHE 54 -8.557 -2.037 -12.252 417 HE2 PHE 54 HE2 PHE 54 -5.353 -0.156 -14.452 418 HZ PHE 54 HZ PHE 54 -6.295 -0.996 -12.297 419 H ASP 55 H ASP 55 -6.621 -3.365 -16.701 420 HA ASP 55 HA ASP 55 -4.858 -2.143 -18.601 421 HB2 ASP 55 HB2 ASP 55 -4.407 -4.365 -16.570 422 HB3 ASP 55 HB3 ASP 55 -3.134 -3.624 -17.533 423 H SER 56 H SER 56 -6.269 -5.459 -18.484 424 HA SER 56 HA SER 56 -4.693 -6.468 -20.675 425 HB2 SER 56 HB2 SER 56 -5.785 -7.984 -19.155 426 HB3 SER 56 HB3 SER 56 -7.371 -7.316 -19.535 427 HG SER 56 HG SER 56 -5.660 -8.843 -21.219 428 H LEU 57 H LEU 57 -7.892 -4.829 -20.558 429 HA LEU 57 HA LEU 57 -8.389 -4.978 -23.411 430 HB2 LEU 57 HB2 LEU 57 -9.483 -3.300 -21.127 431 HB3 LEU 57 HB3 LEU 57 -9.976 -2.983 -22.784 432 HG LEU 57 HG LEU 57 -10.257 -5.738 -21.549 433 HD11 LEU 57 HD11 LEU 57 -12.639 -5.133 -21.141 434 HD12 LEU 57 HD12 LEU 57 -11.534 -4.142 -20.178 435 HD13 LEU 57 HD13 LEU 57 -12.291 -3.463 -21.637 436 HD21 LEU 57 HD21 LEU 57 -11.647 -4.409 -23.911 437 HD22 LEU 57 HD22 LEU 57 -10.404 -5.674 -24.011 438 HD23 LEU 57 HD23 LEU 57 -11.974 -6.044 -23.292 439 H LYS 58 H LYS 58 -6.843 -2.497 -21.365 440 HA LYS 58 HA LYS 58 -6.446 -0.633 -23.598 441 HB2 LYS 58 HB2 LYS 58 -5.422 -0.636 -20.739 442 HB3 LYS 58 HB3 LYS 58 -5.235 0.705 -21.855 443 HG2 LYS 58 HG2 LYS 58 -7.971 -0.344 -20.985 444 HG3 LYS 58 HG3 LYS 58 -7.066 0.879 -20.116 445 HD2 LYS 58 HD2 LYS 58 -8.627 2.058 -21.355 446 HD3 LYS 58 HD3 LYS 58 -7.105 2.295 -22.227 447 HE2 LYS 58 HE2 LYS 58 -7.799 0.633 -23.913 448 HE3 LYS 58 HE3 LYS 58 -9.244 0.243 -22.971 449 HZ1 LYS 58 HZ1 LYS 58 -8.668 2.883 -24.214 450 HZ2 LYS 58 HZ2 LYS 58 -9.735 1.789 -24.782 451 HZ3 LYS 58 HZ3 LYS 58 -10.011 2.527 -23.354 452 H GLY 59 H GLY 59 -4.752 -3.397 -22.749 453 HA2 GLY 59 HA2 GLY 59 -2.852 -4.290 -23.744 454 HA3 GLY 59 HA3 GLY 59 -2.599 -2.784 -24.629 455 H ARG 60 H ARG 60 -2.824 -3.266 -21.125 456 HA ARG 60 HA ARG 60 -0.003 -2.311 -20.705 457 HB2 ARG 60 HB2 ARG 60 -1.835 -0.679 -20.254 458 HB3 ARG 60 HB3 ARG 60 -2.464 -1.756 -19.005 459 HG2 ARG 60 HG2 ARG 60 -0.346 -1.551 -17.740 460 HG3 ARG 60 HG3 ARG 60 0.330 -0.533 -19.027 461 HD2 ARG 60 HD2 ARG 60 -1.836 0.098 -17.019 462 HD3 ARG 60 HD3 ARG 60 -0.289 0.878 -17.240 463 HE ARG 60 HE ARG 60 -1.091 1.998 -19.201 464 HH11 ARG 60 HH11 ARG 60 -4.919 1.301 -18.303 465 HH12 ARG 60 HH12 ARG 60 -3.721 0.276 -17.556 466 HH21 ARG 60 HH21 ARG 60 -4.365 2.880 -19.714 467 HH22 ARG 60 HH22 ARG 60 -2.704 3.194 -20.112 468 H CYS 61 H CYS 61 -2.428 -4.713 -19.730 469 HA CYS 61 HA CYS 61 -1.105 -5.535 -17.358 470 HB2 CYS 61 HB2 CYS 61 -3.508 -5.987 -18.033 471 HB3 CYS 61 HB3 CYS 61 -2.920 -7.297 -19.051 472 H SER 62 H SER 62 0.568 -6.700 -16.971 473 HA SER 62 HA SER 62 1.693 -8.756 -18.753 474 HB2 SER 62 HB2 SER 62 3.943 -7.687 -18.782 475 HB3 SER 62 HB3 SER 62 2.729 -6.766 -19.670 476 HG SER 62 HG SER 62 2.593 -5.299 -18.006 477 H ARG 63 H ARG 63 0.573 -8.327 -15.938 478 HA ARG 63 HA ARG 63 2.549 -8.666 -13.924 479 HB2 ARG 63 HB2 ARG 63 -0.348 -9.636 -14.025 480 HB3 ARG 63 HB3 ARG 63 0.638 -9.494 -12.572 481 HG2 ARG 63 HG2 ARG 63 0.744 -7.058 -12.816 482 HG3 ARG 63 HG3 ARG 63 -0.207 -7.148 -14.314 483 HD2 ARG 63 HD2 ARG 63 -2.069 -8.204 -13.073 484 HD3 ARG 63 HD3 ARG 63 -1.148 -8.111 -11.575 485 HE ARG 63 HE ARG 63 -1.354 -5.718 -11.590 486 HH11 ARG 63 HH11 ARG 63 -2.253 -3.800 -12.204 487 HH12 ARG 63 HH12 ARG 63 -3.338 -3.737 -13.571 488 HH21 ARG 63 HH21 ARG 63 -4.021 -5.546 -14.566 489 HH22 ARG 63 HH22 ARG 63 -3.430 -7.103 -14.163 490 H GLU 64 H GLU 64 3.139 -10.421 -12.659 491 HA GLU 64 HA GLU 64 3.398 -13.055 -13.962 492 HB2 GLU 64 HB2 GLU 64 4.098 -12.078 -11.156 493 HB3 GLU 64 HB3 GLU 64 4.455 -13.690 -11.790 494 HG2 GLU 64 HG2 GLU 64 5.826 -12.668 -13.605 495 HG3 GLU 64 HG3 GLU 64 5.538 -11.071 -12.913 496 H ASN 65 H ASN 65 1.137 -11.463 -11.919 497 HA ASN 65 HA ASN 65 -0.783 -13.636 -11.943 498 HB2 ASN 65 HB2 ASN 65 0.891 -13.180 -9.562 499 HB3 ASN 65 HB3 ASN 65 -0.779 -12.752 -9.220 500 HD21 ASN 65 HD21 ASN 65 0.886 -15.386 -11.062 501 HD22 ASN 65 HD22 ASN 65 -0.063 -16.670 -10.304 502 H CYS 66 H CYS 66 -2.760 -12.701 -12.173 503 HA CYS 66 HA CYS 66 -3.045 -9.791 -11.615 504 HB2 CYS 66 HB2 CYS 66 -3.057 -10.781 -14.010 505 HB3 CYS 66 HB3 CYS 66 -4.667 -11.393 -13.615 506 H LYS 67 H LYS 67 -5.151 -9.063 -11.005 507 HA LYS 67 HA LYS 67 -6.632 -10.951 -9.198 508 HB2 LYS 67 HB2 LYS 67 -6.331 -7.963 -8.789 509 HB3 LYS 67 HB3 LYS 67 -6.960 -9.173 -7.664 510 HG2 LYS 67 HG2 LYS 67 -4.608 -10.232 -7.736 511 HG3 LYS 67 HG3 LYS 67 -4.087 -8.733 -8.534 512 HD2 LYS 67 HD2 LYS 67 -5.436 -8.943 -5.803 513 HD3 LYS 67 HD3 LYS 67 -3.702 -8.716 -6.058 514 HE2 LYS 67 HE2 LYS 67 -4.012 -6.526 -7.004 515 HE3 LYS 67 HE3 LYS 67 -5.761 -6.756 -7.150 516 HZ1 LYS 67 HZ1 LYS 67 -5.965 -6.777 -4.781 517 HZ2 LYS 67 HZ2 LYS 67 -4.341 -6.635 -4.551 518 HZ3 LYS 67 HZ3 LYS 67 -5.190 -5.402 -5.212 519 H TYR 68 H TYR 68 -6.993 -9.457 -12.021 520 HA TYR 68 HA TYR 68 -9.910 -8.879 -11.703 521 HB2 TYR 68 HB2 TYR 68 -7.844 -7.545 -13.484 522 HB3 TYR 68 HB3 TYR 68 -9.564 -7.198 -13.462 523 HD1 TYR 68 HD1 TYR 68 -6.375 -6.835 -11.584 524 HD2 TYR 68 HD2 TYR 68 -10.573 -5.850 -11.715 525 HE1 TYR 68 HE1 TYR 68 -6.018 -5.086 -9.854 526 HE2 TYR 68 HE2 TYR 68 -10.215 -4.099 -9.973 527 HH TYR 68 HH TYR 68 -6.981 -3.445 -8.571 528 H LEU 69 H LEU 69 -11.242 -9.423 -13.468 529 HA LEU 69 HA LEU 69 -10.494 -11.941 -14.709 530 HB2 LEU 69 HB2 LEU 69 -12.968 -10.220 -14.579 531 HB3 LEU 69 HB3 LEU 69 -12.871 -11.423 -15.846 532 HG LEU 69 HG LEU 69 -14.070 -12.147 -13.797 533 HD11 LEU 69 HD11 LEU 69 -13.144 -14.399 -13.743 534 HD12 LEU 69 HD12 LEU 69 -13.135 -13.782 -15.400 535 HD13 LEU 69 HD13 LEU 69 -11.626 -13.837 -14.468 536 HD21 LEU 69 HD21 LEU 69 -11.335 -12.420 -12.511 537 HD22 LEU 69 HD22 LEU 69 -12.454 -11.110 -12.133 538 HD23 LEU 69 HD23 LEU 69 -12.913 -12.793 -11.799 539 H HIS 70 H HIS 70 -9.311 -12.152 -16.512 540 HA HIS 70 HA HIS 70 -8.965 -10.027 -18.465 541 HB2 HIS 70 HB2 HIS 70 -8.136 -12.916 -18.358 542 HB3 HIS 70 HB3 HIS 70 -7.924 -11.943 -19.806 543 HD1 HIS 70 HD1 HIS 70 -5.229 -12.120 -19.522 544 HD2 HIS 70 HD2 HIS 70 -7.359 -10.001 -16.580 545 HE1 HIS 70 HE1 HIS 70 -3.551 -10.577 -18.367 546 HA PRO 71 HA PRO 71 -13.081 -10.611 -20.098 547 HB2 PRO 71 HB2 PRO 71 -11.790 -9.211 -22.445 548 HB3 PRO 71 HB3 PRO 71 -13.440 -9.013 -21.773 549 HG2 PRO 71 HG2 PRO 71 -11.545 -7.315 -21.014 550 HG3 PRO 71 HG3 PRO 71 -12.547 -8.067 -19.739 551 HD2 PRO 71 HD2 PRO 71 -9.770 -8.892 -20.656 552 HD3 PRO 71 HD3 PRO 71 -10.381 -8.634 -19.001 553 HA PRO 72 HA PRO 72 -12.343 -14.270 -22.728 554 HB2 PRO 72 HB2 PRO 72 -14.644 -15.630 -22.128 555 HB3 PRO 72 HB3 PRO 72 -13.231 -15.587 -21.014 556 HG2 PRO 72 HG2 PRO 72 -15.771 -13.971 -20.970 557 HG3 PRO 72 HG3 PRO 72 -14.941 -14.743 -19.590 558 HD2 PRO 72 HD2 PRO 72 -14.671 -12.068 -20.215 559 HD3 PRO 72 HD3 PRO 72 -13.386 -13.022 -19.428 560 HA PRO 73 HA PRO 73 -14.545 -12.985 -26.386 561 HB2 PRO 73 HB2 PRO 73 -15.113 -15.927 -26.812 562 HB3 PRO 73 HB3 PRO 73 -14.550 -14.705 -27.995 563 HG2 PRO 73 HG2 PRO 73 -12.784 -16.414 -26.864 564 HG3 PRO 73 HG3 PRO 73 -12.364 -14.679 -27.033 565 HD2 PRO 73 HD2 PRO 73 -13.308 -16.153 -24.572 566 HD3 PRO 73 HD3 PRO 73 -12.047 -14.891 -24.743 567 H HIS 74 H HIS 74 -16.306 -15.464 -24.475 568 HA HIS 74 HA HIS 74 -18.928 -14.741 -25.495 569 HB2 HIS 74 HB2 HIS 74 -17.917 -16.514 -23.243 570 HB3 HIS 74 HB3 HIS 74 -19.620 -16.113 -23.356 571 HD1 HIS 74 HD1 HIS 74 -20.888 -18.013 -24.470 572 HD2 HIS 74 HD2 HIS 74 -17.047 -17.352 -26.087 573 HE1 HIS 74 HE1 HIS 74 -20.617 -19.687 -26.416 574 HE2 HIS 74 HE2 HIS 74 -18.268 -19.272 -27.391 575 H LEU 75 H LEU 75 -16.994 -13.145 -23.138 576 HA LEU 75 HA LEU 75 -19.421 -11.659 -22.179 577 HB2 LEU 75 HB2 LEU 75 -16.818 -12.028 -20.692 578 HB3 LEU 75 HB3 LEU 75 -18.227 -11.139 -20.155 579 HG LEU 75 HG LEU 75 -18.214 -14.144 -20.641 580 HD11 LEU 75 HD11 LEU 75 -16.835 -13.315 -18.663 581 HD12 LEU 75 HD12 LEU 75 -18.339 -12.645 -17.999 582 HD13 LEU 75 HD13 LEU 75 -18.175 -14.393 -18.270 583 HD21 LEU 75 HD21 LEU 75 -20.359 -14.040 -19.392 584 HD22 LEU 75 HD22 LEU 75 -20.296 -12.260 -19.461 585 HD23 LEU 75 HD23 LEU 75 -20.445 -13.219 -20.949 586 H LYS 76 H LYS 76 -16.448 -11.301 -23.944 587 HA LYS 76 HA LYS 76 -16.002 -8.500 -23.534 588 HB2 LYS 76 HB2 LYS 76 -15.527 -10.341 -25.891 589 HB3 LYS 76 HB3 LYS 76 -15.243 -8.593 -26.004 590 HG2 LYS 76 HG2 LYS 76 -13.615 -8.637 -24.198 591 HG3 LYS 76 HG3 LYS 76 -14.013 -10.315 -23.810 592 HD2 LYS 76 HD2 LYS 76 -11.905 -10.221 -24.990 593 HD3 LYS 76 HD3 LYS 76 -13.105 -11.073 -25.967 594 HE2 LYS 76 HE2 LYS 76 -13.462 -9.016 -27.323 595 HE3 LYS 76 HE3 LYS 76 -12.314 -8.138 -26.304 596 HZ1 LYS 76 HZ1 LYS 76 -11.635 -10.483 -28.004 597 HZ2 LYS 76 HZ2 LYS 76 -11.260 -8.931 -28.341 598 HZ3 LYS 76 HZ3 LYS 76 -10.574 -9.673 -27.060 599 H THR 77 H THR 77 -18.525 -10.174 -25.396 600 HA THR 77 HA THR 77 -19.609 -7.890 -26.751 601 HB THR 77 HB THR 77 -21.119 -10.322 -25.713 602 HG1 THR 77 HG1 THR 77 -20.568 -11.245 -27.702 603 HG21 THR 77 HG21 THR 77 -21.566 -8.489 -28.114 604 HG22 THR 77 HG22 THR 77 -22.487 -9.973 -27.770 605 HG23 THR 77 HG23 THR 77 -22.591 -8.599 -26.664 606 H GLN 78 H GLN 78 -20.341 -9.305 -23.511 607 HA GLN 78 HA GLN 78 -22.402 -7.391 -22.831 608 HB2 GLN 78 HB2 GLN 78 -20.586 -9.097 -21.057 609 HB3 GLN 78 HB3 GLN 78 -21.988 -8.163 -20.514 610 HG2 GLN 78 HG2 GLN 78 -23.445 -9.576 -22.004 611 HG3 GLN 78 HG3 GLN 78 -22.021 -10.533 -22.430 612 HE21 GLN 78 HE21 GLN 78 -23.212 -12.430 -21.542 613 HE22 GLN 78 HE22 GLN 78 -23.196 -12.663 -19.795 614 H LEU 79 H LEU 79 -18.893 -7.578 -22.114 615 HA LEU 79 HA LEU 79 -18.703 -5.135 -20.635 616 HB2 LEU 79 HB2 LEU 79 -16.669 -6.704 -22.256 617 HB3 LEU 79 HB3 LEU 79 -16.241 -5.333 -21.239 618 HG LEU 79 HG LEU 79 -17.659 -7.809 -20.148 619 HD11 LEU 79 HD11 LEU 79 -14.701 -7.131 -20.229 620 HD12 LEU 79 HD12 LEU 79 -15.423 -8.460 -19.291 621 HD13 LEU 79 HD13 LEU 79 -15.524 -8.480 -21.056 622 HD21 LEU 79 HD21 LEU 79 -16.785 -6.965 -17.975 623 HD22 LEU 79 HD22 LEU 79 -16.115 -5.551 -18.804 624 HD23 LEU 79 HD23 LEU 79 -17.874 -5.795 -18.718 625 H GLU 80 H GLU 80 -18.385 -5.696 -24.156 626 HA GLU 80 HA GLU 80 -17.609 -3.098 -25.032 627 HB2 GLU 80 HB2 GLU 80 -19.239 -5.388 -26.159 628 HB3 GLU 80 HB3 GLU 80 -19.377 -3.847 -26.969 629 HG2 GLU 80 HG2 GLU 80 -16.806 -5.388 -26.588 630 HG3 GLU 80 HG3 GLU 80 -17.865 -5.392 -28.010 631 H ILE 81 H ILE 81 -20.848 -4.485 -24.637 632 HA ILE 81 HA ILE 81 -22.301 -2.106 -25.286 633 HB ILE 81 HB ILE 81 -22.997 -4.808 -24.104 634 HG12 ILE 81 HG12 ILE 81 -23.624 -3.587 -26.845 635 HG13 ILE 81 HG13 ILE 81 -22.109 -4.405 -26.539 636 HG21 ILE 81 HG21 ILE 81 -24.945 -2.615 -24.948 637 HG22 ILE 81 HG22 ILE 81 -25.373 -4.309 -24.611 638 HG23 ILE 81 HG23 ILE 81 -24.747 -3.291 -23.313 639 HD11 ILE 81 HD11 ILE 81 -23.434 -6.454 -25.842 640 HD12 ILE 81 HD12 ILE 81 -24.828 -5.662 -26.619 641 HD13 ILE 81 HD13 ILE 81 -23.338 -6.017 -27.550 642 H ASN 82 H ASN 82 -21.316 -3.496 -22.145 643 HA ASN 82 HA ASN 82 -22.641 -1.538 -20.482 644 HB2 ASN 82 HB2 ASN 82 -20.153 -3.269 -20.128 645 HB3 ASN 82 HB3 ASN 82 -20.712 -2.148 -18.893 646 HD21 ASN 82 HD21 ASN 82 -20.503 -4.371 -17.838 647 HD22 ASN 82 HD22 ASN 82 -22.025 -5.262 -17.743 648 H GLY 83 H GLY 83 -19.393 -1.601 -22.044 649 HA2 GLY 83 HA2 GLY 83 -18.417 0.875 -21.003 650 HA3 GLY 83 HA3 GLY 83 -17.863 0.054 -22.471 651 H ARG 84 H ARG 84 -20.014 0.115 -24.132 652 HA ARG 84 HA ARG 84 -20.118 2.757 -25.212 653 HB2 ARG 84 HB2 ARG 84 -21.867 0.300 -25.599 654 HB3 ARG 84 HB3 ARG 84 -22.083 1.781 -26.541 655 HG2 ARG 84 HG2 ARG 84 -19.924 1.624 -27.543 656 HG3 ARG 84 HG3 ARG 84 -19.375 0.399 -26.400 657 HD2 ARG 84 HD2 ARG 84 -21.070 -1.194 -27.303 658 HD3 ARG 84 HD3 ARG 84 -21.525 0.000 -28.521 659 HE ARG 84 HE ARG 84 -18.992 -1.574 -28.356 660 HH11 ARG 84 HH11 ARG 84 -17.851 -0.711 -31.390 661 HH12 ARG 84 HH12 ARG 84 -17.706 -1.707 -29.936 662 HH21 ARG 84 HH21 ARG 84 -19.525 0.789 -31.503 663 HH22 ARG 84 HH22 ARG 84 -20.647 0.947 -30.178 664 H ASN 85 H ASN 85 -22.359 1.155 -22.960 665 HA ASN 85 HA ASN 85 -24.322 3.253 -22.915 666 HB2 ASN 85 HB2 ASN 85 -24.647 0.859 -22.207 667 HB3 ASN 85 HB3 ASN 85 -23.663 1.179 -20.781 668 HD21 ASN 85 HD21 ASN 85 -24.996 1.399 -19.005 669 HD22 ASN 85 HD22 ASN 85 -26.550 2.218 -19.042 670 H ASN 86 H ASN 86 -21.139 3.263 -21.637 671 HA ASN 86 HA ASN 86 -21.747 5.527 -19.764 672 HB2 ASN 86 HB2 ASN 86 -19.567 3.394 -19.745 673 HB3 ASN 86 HB3 ASN 86 -19.489 4.864 -18.781 674 HD21 ASN 86 HD21 ASN 86 -21.197 1.759 -19.129 675 HD22 ASN 86 HD22 ASN 86 -21.984 1.900 -17.560 676 H LEU 87 H LEU 87 -20.031 4.592 -22.649 677 HA LEU 87 HA LEU 87 -18.081 6.648 -22.823 678 HB2 LEU 87 HB2 LEU 87 -18.219 4.473 -24.092 679 HB3 LEU 87 HB3 LEU 87 -19.576 5.130 -25.004 680 HG LEU 87 HG LEU 87 -18.053 6.875 -25.961 681 HD11 LEU 87 HD11 LEU 87 -15.606 6.560 -25.740 682 HD12 LEU 87 HD12 LEU 87 -16.327 6.959 -24.178 683 HD13 LEU 87 HD13 LEU 87 -15.873 5.280 -24.534 684 HD21 LEU 87 HD21 LEU 87 -17.124 3.996 -26.302 685 HD22 LEU 87 HD22 LEU 87 -18.490 4.761 -27.145 686 HD23 LEU 87 HD23 LEU 87 -16.841 5.334 -27.440 687 H ILE 88 H ILE 88 -21.504 6.762 -23.330 688 HA ILE 88 HA ILE 88 -21.910 8.825 -25.142 689 HB ILE 88 HB ILE 88 -24.079 9.167 -23.956 690 HG12 ILE 88 HG12 ILE 88 -23.046 7.055 -22.000 691 HG13 ILE 88 HG13 ILE 88 -23.376 8.744 -21.622 692 HG21 ILE 88 HG21 ILE 88 -23.677 7.442 -25.727 693 HG22 ILE 88 HG22 ILE 88 -23.406 6.239 -24.450 694 HG23 ILE 88 HG23 ILE 88 -24.985 7.029 -24.622 695 HD11 ILE 88 HD11 ILE 88 -25.785 8.371 -22.191 696 HD12 ILE 88 HD12 ILE 88 -25.421 6.635 -22.376 697 HD13 ILE 88 HD13 ILE 88 -25.190 7.424 -20.811 698 H GLN 89 H GLN 89 -21.906 10.936 -25.143 699 HA GLN 89 HA GLN 89 -20.287 12.440 -23.356 700 HB2 GLN 89 HB2 GLN 89 -22.358 13.442 -25.348 701 HB3 GLN 89 HB3 GLN 89 -21.093 14.420 -24.601 702 HG2 GLN 89 HG2 GLN 89 -20.655 12.071 -26.502 703 HG3 GLN 89 HG3 GLN 89 -20.451 13.774 -26.869 704 HE21 GLN 89 HE21 GLN 89 -18.878 10.951 -25.518 705 HE22 GLN 89 HE22 GLN 89 -17.392 11.785 -25.091 706 H GLN 90 H GLN 90 -23.587 11.580 -22.936 707 HA GLN 90 HA GLN 90 -24.454 13.699 -21.199 708 HB2 GLN 90 HB2 GLN 90 -25.876 12.041 -22.443 709 HB3 GLN 90 HB3 GLN 90 -25.339 10.782 -21.321 710 HG2 GLN 90 HG2 GLN 90 -26.427 11.962 -19.447 711 HG3 GLN 90 HG3 GLN 90 -26.791 13.335 -20.498 712 HE21 GLN 90 HE21 GLN 90 -29.086 13.224 -20.272 713 HE22 GLN 90 HE22 GLN 90 -30.000 11.853 -20.886 714 H LYS 91 H LYS 91 -22.228 11.090 -20.706 715 HA LYS 91 HA LYS 91 -22.067 11.654 -17.762 716 HB2 LYS 91 HB2 LYS 91 -23.314 9.543 -18.231 717 HB3 LYS 91 HB3 LYS 91 -21.902 8.914 -19.093 718 HG2 LYS 91 HG2 LYS 91 -20.565 9.039 -17.005 719 HG3 LYS 91 HG3 LYS 91 -21.955 9.743 -16.152 720 HD2 LYS 91 HD2 LYS 91 -23.259 7.670 -16.591 721 HD3 LYS 91 HD3 LYS 91 -21.859 6.976 -17.441 722 HE2 LYS 91 HE2 LYS 91 -20.505 7.182 -15.367 723 HE3 LYS 91 HE3 LYS 91 -21.897 7.870 -14.520 724 HZ1 LYS 91 HZ1 LYS 91 -21.674 5.477 -14.111 725 HZ2 LYS 91 HZ2 LYS 91 -23.079 5.774 -14.894 726 HZ3 LYS 91 HZ3 LYS 91 -21.804 5.148 -15.713 727 H ASN 92 H ASN 92 -20.350 10.444 -20.645 728 HA ASN 92 HA ASN 92 -17.735 10.267 -19.546 729 HB2 ASN 92 HB2 ASN 92 -18.527 9.214 -21.632 730 HB3 ASN 92 HB3 ASN 92 -18.721 10.797 -22.385 731 HD21 ASN 92 HD21 ASN 92 -17.344 9.298 -23.875 732 HD22 ASN 92 HD22 ASN 92 -15.600 9.572 -23.734 Start of MODEL 17 1 H MET 1 H MET 1 -20.717 24.812 -6.397 2 HA MET 1 HA MET 1 -19.892 26.044 -4.637 3 HB2 MET 1 HB2 MET 1 -21.840 24.312 -3.054 4 HB3 MET 1 HB3 MET 1 -21.082 25.798 -2.462 5 HG2 MET 1 HG2 MET 1 -22.134 27.071 -4.313 6 HG3 MET 1 HG3 MET 1 -22.952 25.598 -4.848 7 HE1 MET 1 HE1 MET 1 -24.451 28.334 -4.288 8 HE2 MET 1 HE2 MET 1 -25.267 26.846 -4.820 9 HE3 MET 1 HE3 MET 1 -25.890 27.751 -3.423 10 H ALA 2 H ALA 2 -19.183 22.798 -4.802 11 HA ALA 2 HA ALA 2 -16.819 23.043 -3.058 12 HB1 ALA 2 HB1 ALA 2 -18.590 22.179 -1.544 13 HB2 ALA 2 HB2 ALA 2 -18.913 20.847 -2.678 14 HB3 ALA 2 HB3 ALA 2 -17.349 20.951 -1.841 15 H VAL 3 H VAL 3 -15.380 21.103 -3.292 16 HA VAL 3 HA VAL 3 -15.665 19.458 -5.706 17 HB VAL 3 HB VAL 3 -14.730 21.614 -6.517 18 HG11 VAL 3 HG11 VAL 3 -12.251 20.957 -4.877 19 HG12 VAL 3 HG12 VAL 3 -12.448 22.284 -6.035 20 HG13 VAL 3 HG13 VAL 3 -13.393 22.279 -4.541 21 HG21 VAL 3 HG21 VAL 3 -12.705 19.369 -6.784 22 HG22 VAL 3 HG22 VAL 3 -14.242 19.475 -7.680 23 HG23 VAL 3 HG23 VAL 3 -12.998 20.715 -7.895 24 H SER 4 H SER 4 -14.146 17.710 -5.801 25 HA SER 4 HA SER 4 -13.435 16.600 -3.233 26 HB2 SER 4 HB2 SER 4 -12.580 14.716 -4.623 27 HB3 SER 4 HB3 SER 4 -14.240 15.185 -5.013 28 HG SER 4 HG SER 4 -12.938 14.871 -6.892 29 H VAL 5 H VAL 5 -11.296 15.620 -2.812 30 HA VAL 5 HA VAL 5 -8.957 17.201 -3.771 31 HB VAL 5 HB VAL 5 -9.959 18.111 -1.647 32 HG11 VAL 5 HG11 VAL 5 -9.512 17.043 0.470 33 HG12 VAL 5 HG12 VAL 5 -10.489 15.957 -0.527 34 HG13 VAL 5 HG13 VAL 5 -8.747 15.658 -0.324 35 HG21 VAL 5 HG21 VAL 5 -7.646 18.610 -2.352 36 HG22 VAL 5 HG22 VAL 5 -7.883 18.630 -0.597 37 HG23 VAL 5 HG23 VAL 5 -7.067 17.255 -1.356 38 H THR 6 H THR 6 -10.202 14.241 -3.718 39 HA THR 6 HA THR 6 -7.586 12.860 -3.774 40 HB THR 6 HB THR 6 -8.722 10.877 -2.631 41 HG1 THR 6 HG1 THR 6 -10.443 11.376 -1.275 42 HG21 THR 6 HG21 THR 6 -7.038 12.304 -1.473 43 HG22 THR 6 HG22 THR 6 -8.357 13.326 -0.861 44 HG23 THR 6 HG23 THR 6 -8.250 11.620 -0.377 45 HA PRO 7 HA PRO 7 -9.374 11.096 -7.425 46 HB2 PRO 7 HB2 PRO 7 -8.013 8.750 -7.744 47 HB3 PRO 7 HB3 PRO 7 -7.231 10.351 -7.896 48 HG2 PRO 7 HG2 PRO 7 -7.288 8.534 -5.464 49 HG3 PRO 7 HG3 PRO 7 -5.865 9.325 -6.219 50 HD2 PRO 7 HD2 PRO 7 -7.136 10.399 -4.068 51 HD3 PRO 7 HD3 PRO 7 -6.470 11.437 -5.363 52 H ILE 8 H ILE 8 -10.581 9.252 -8.312 53 HA ILE 8 HA ILE 8 -11.743 7.306 -6.452 54 HB ILE 8 HB ILE 8 -13.147 9.326 -6.185 55 HG12 ILE 8 HG12 ILE 8 -15.360 8.385 -6.588 56 HG13 ILE 8 HG13 ILE 8 -14.691 7.132 -7.622 57 HG21 ILE 8 HG21 ILE 8 -14.564 10.183 -7.974 58 HG22 ILE 8 HG22 ILE 8 -12.866 10.332 -8.432 59 HG23 ILE 8 HG23 ILE 8 -13.865 9.039 -9.133 60 HD11 ILE 8 HD11 ILE 8 -14.053 7.499 -4.657 61 HD12 ILE 8 HD12 ILE 8 -15.218 6.338 -5.323 62 HD13 ILE 8 HD13 ILE 8 -13.495 6.153 -5.681 63 H ARG 9 H ARG 9 -12.722 5.536 -7.474 64 HA ARG 9 HA ARG 9 -11.554 4.715 -9.954 65 HB2 ARG 9 HB2 ARG 9 -12.680 2.660 -9.649 66 HB3 ARG 9 HB3 ARG 9 -12.041 3.213 -8.105 67 HG2 ARG 9 HG2 ARG 9 -14.340 3.996 -7.455 68 HG3 ARG 9 HG3 ARG 9 -14.961 3.383 -9.007 69 HD2 ARG 9 HD2 ARG 9 -14.098 1.139 -8.461 70 HD3 ARG 9 HD3 ARG 9 -13.512 1.722 -6.907 71 HE ARG 9 HE ARG 9 -16.296 1.133 -7.690 72 HH11 ARG 9 HH11 ARG 9 -17.602 1.810 -4.587 73 HH12 ARG 9 HH12 ARG 9 -17.902 1.143 -6.165 74 HH21 ARG 9 HH21 ARG 9 -15.650 2.657 -4.058 75 HH22 ARG 9 HH22 ARG 9 -14.345 2.671 -5.210 76 H ASP 10 H ASP 10 -12.572 3.901 -11.807 77 HA ASP 10 HA ASP 10 -15.184 5.058 -12.632 78 HB2 ASP 10 HB2 ASP 10 -14.332 5.921 -14.645 79 HB3 ASP 10 HB3 ASP 10 -13.271 6.522 -13.381 80 H THR 11 H THR 11 -13.817 2.296 -11.988 81 HA THR 11 HA THR 11 -13.983 0.643 -14.316 82 HB THR 11 HB THR 11 -13.909 -1.192 -12.501 83 HG1 THR 11 HG1 THR 11 -13.428 -0.416 -10.437 84 HG21 THR 11 HG21 THR 11 -11.755 0.957 -12.348 85 HG22 THR 11 HG22 THR 11 -11.604 -0.754 -11.879 86 HG23 THR 11 HG23 THR 11 -11.848 -0.324 -13.574 87 H LYS 12 H LYS 12 -16.591 2.065 -12.908 88 HA LYS 12 HA LYS 12 -18.498 0.281 -12.159 89 HB2 LYS 12 HB2 LYS 12 -18.718 2.734 -12.283 90 HB3 LYS 12 HB3 LYS 12 -18.914 2.641 -14.037 91 HG2 LYS 12 HG2 LYS 12 -21.012 1.375 -13.761 92 HG3 LYS 12 HG3 LYS 12 -20.781 1.341 -12.000 93 HD2 LYS 12 HD2 LYS 12 -20.941 3.808 -11.922 94 HD3 LYS 12 HD3 LYS 12 -21.117 3.863 -13.689 95 HE2 LYS 12 HE2 LYS 12 -23.191 2.500 -13.519 96 HE3 LYS 12 HE3 LYS 12 -23.021 2.459 -11.758 97 HZ1 LYS 12 HZ1 LYS 12 -23.252 4.887 -11.748 98 HZ2 LYS 12 HZ2 LYS 12 -23.404 4.926 -13.375 99 HZ3 LYS 12 HZ3 LYS 12 -24.552 4.210 -12.463 100 H TRP 13 H TRP 13 -17.722 0.759 -15.627 101 HA TRP 13 HA TRP 13 -19.857 -1.005 -16.500 102 HB2 TRP 13 HB2 TRP 13 -19.373 -0.308 -18.558 103 HB3 TRP 13 HB3 TRP 13 -18.549 0.968 -17.721 104 HD1 TRP 13 HD1 TRP 13 -17.847 -2.300 -19.607 105 HE1 TRP 13 HE1 TRP 13 -15.595 -2.142 -20.793 106 HE3 TRP 13 HE3 TRP 13 -16.175 2.099 -17.573 107 HZ2 TRP 13 HZ2 TRP 13 -13.347 -0.349 -20.872 108 HZ3 TRP 13 HZ3 TRP 13 -13.973 3.007 -18.251 109 HH2 TRP 13 HH2 TRP 13 -12.549 1.807 -19.888 110 H LEU 14 H LEU 14 -16.640 -1.607 -15.443 111 HA LEU 14 HA LEU 14 -16.268 -4.185 -16.794 112 HB2 LEU 14 HB2 LEU 14 -14.665 -2.668 -14.690 113 HB3 LEU 14 HB3 LEU 14 -14.122 -4.114 -15.479 114 HG LEU 14 HG LEU 14 -14.782 -1.527 -16.978 115 HD11 LEU 14 HD11 LEU 14 -12.090 -2.586 -16.058 116 HD12 LEU 14 HD12 LEU 14 -12.384 -1.148 -17.080 117 HD13 LEU 14 HD13 LEU 14 -12.942 -1.174 -15.406 118 HD21 LEU 14 HD21 LEU 14 -14.816 -3.573 -18.399 119 HD22 LEU 14 HD22 LEU 14 -13.462 -2.507 -18.791 120 HD23 LEU 14 HD23 LEU 14 -13.172 -3.973 -17.839 121 H THR 15 H THR 15 -17.839 -3.224 -13.907 122 HA THR 15 HA THR 15 -17.125 -5.495 -12.288 123 HB THR 15 HB THR 15 -19.542 -3.747 -11.849 124 HG1 THR 15 HG1 THR 15 -18.167 -2.364 -10.731 125 HG21 THR 15 HG21 THR 15 -18.967 -4.108 -9.462 126 HG22 THR 15 HG22 THR 15 -19.271 -5.630 -10.300 127 HG23 THR 15 HG23 THR 15 -17.603 -5.142 -9.948 128 H LEU 16 H LEU 16 -17.465 -7.120 -13.830 129 HA LEU 16 HA LEU 16 -20.015 -7.859 -14.959 130 HB2 LEU 16 HB2 LEU 16 -17.602 -8.193 -15.801 131 HB3 LEU 16 HB3 LEU 16 -17.414 -9.427 -14.587 132 HG LEU 16 HG LEU 16 -18.942 -10.898 -15.718 133 HD11 LEU 16 HD11 LEU 16 -19.571 -8.568 -17.582 134 HD12 LEU 16 HD12 LEU 16 -20.027 -10.261 -17.877 135 HD13 LEU 16 HD13 LEU 16 -20.702 -9.407 -16.491 136 HD21 LEU 16 HD21 LEU 16 -16.594 -10.611 -16.602 137 HD22 LEU 16 HD22 LEU 16 -17.729 -11.119 -17.855 138 HD23 LEU 16 HD23 LEU 16 -17.209 -9.438 -17.777 139 H GLU 17 H GLU 17 -21.469 -9.505 -14.286 140 HA GLU 17 HA GLU 17 -21.488 -10.241 -11.495 141 HB2 GLU 17 HB2 GLU 17 -23.014 -11.534 -13.773 142 HB3 GLU 17 HB3 GLU 17 -23.354 -11.610 -12.045 143 HG2 GLU 17 HG2 GLU 17 -24.965 -10.198 -12.821 144 HG3 GLU 17 HG3 GLU 17 -23.771 -9.133 -12.098 145 H VAL 18 H VAL 18 -21.234 -12.317 -10.513 146 HA VAL 18 HA VAL 18 -19.320 -14.129 -11.879 147 HB VAL 18 HB VAL 18 -19.108 -15.311 -9.821 148 HG11 VAL 18 HG11 VAL 18 -17.818 -13.244 -10.100 149 HG12 VAL 18 HG12 VAL 18 -19.067 -12.340 -9.205 150 HG13 VAL 18 HG13 VAL 18 -18.139 -13.620 -8.400 151 HG21 VAL 18 HG21 VAL 18 -20.246 -14.568 -7.714 152 HG22 VAL 18 HG22 VAL 18 -21.341 -13.578 -8.700 153 HG23 VAL 18 HG23 VAL 18 -21.331 -15.337 -8.873 154 H CYS 19 H CYS 19 -19.724 -16.394 -12.272 155 HA CYS 19 HA CYS 19 -22.466 -16.957 -12.980 156 HB2 CYS 19 HB2 CYS 19 -20.549 -17.877 -14.234 157 HB3 CYS 19 HB3 CYS 19 -20.120 -18.857 -12.819 158 H ARG 20 H ARG 20 -23.975 -18.081 -11.958 159 HA ARG 20 HA ARG 20 -23.881 -18.416 -9.068 160 HB2 ARG 20 HB2 ARG 20 -26.010 -19.143 -11.139 161 HB3 ARG 20 HB3 ARG 20 -26.207 -19.300 -9.401 162 HG2 ARG 20 HG2 ARG 20 -27.282 -17.299 -9.959 163 HG3 ARG 20 HG3 ARG 20 -25.786 -16.816 -9.160 164 HD2 ARG 20 HD2 ARG 20 -24.789 -16.215 -11.327 165 HD3 ARG 20 HD3 ARG 20 -26.175 -16.901 -12.181 166 HE ARG 20 HE ARG 20 -27.560 -15.103 -11.357 167 HH11 ARG 20 HH11 ARG 20 -26.506 -12.000 -10.384 168 HH12 ARG 20 HH12 ARG 20 -27.859 -12.997 -10.819 169 HH21 ARG 20 HH21 ARG 20 -24.122 -14.421 -10.816 170 HH22 ARG 20 HH22 ARG 20 -24.486 -12.810 -10.275 171 H GLU 21 H GLU 21 -23.632 -20.643 -11.795 172 HA GLU 21 HA GLU 21 -23.956 -23.069 -10.195 173 HB2 GLU 21 HB2 GLU 21 -22.672 -22.685 -12.923 174 HB3 GLU 21 HB3 GLU 21 -23.209 -24.213 -12.204 175 HG2 GLU 21 HG2 GLU 21 -25.551 -23.331 -12.224 176 HG3 GLU 21 HG3 GLU 21 -24.976 -21.883 -13.065 177 H PHE 22 H PHE 22 -21.262 -21.117 -11.426 178 HA PHE 22 HA PHE 22 -19.092 -22.775 -10.623 179 HB2 PHE 22 HB2 PHE 22 -19.036 -20.943 -12.258 180 HB3 PHE 22 HB3 PHE 22 -19.299 -19.775 -10.988 181 HD1 PHE 22 HD1 PHE 22 -17.443 -18.874 -9.771 182 HD2 PHE 22 HD2 PHE 22 -16.909 -22.346 -12.270 183 HE1 PHE 22 HE1 PHE 22 -14.983 -18.681 -9.515 184 HE2 PHE 22 HE2 PHE 22 -14.443 -22.158 -11.999 185 HZ PHE 22 HZ PHE 22 -13.479 -20.323 -10.622 186 H GLN 23 H GLN 23 -21.106 -20.519 -8.769 187 HA GLN 23 HA GLN 23 -19.328 -20.293 -6.507 188 HB2 GLN 23 HB2 GLN 23 -22.374 -20.118 -6.457 189 HB3 GLN 23 HB3 GLN 23 -21.274 -19.600 -5.191 190 HG2 GLN 23 HG2 GLN 23 -21.839 -18.313 -7.839 191 HG3 GLN 23 HG3 GLN 23 -21.923 -17.618 -6.239 192 HE21 GLN 23 HE21 GLN 23 -20.021 -17.843 -9.034 193 HE22 GLN 23 HE22 GLN 23 -18.517 -17.214 -8.335 194 H ARG 24 H ARG 24 -21.268 -22.913 -7.583 195 HA ARG 24 HA ARG 24 -20.886 -24.412 -5.014 196 HB2 ARG 24 HB2 ARG 24 -22.969 -24.811 -7.216 197 HB3 ARG 24 HB3 ARG 24 -22.720 -25.885 -5.846 198 HG2 ARG 24 HG2 ARG 24 -24.473 -24.679 -5.070 199 HG3 ARG 24 HG3 ARG 24 -23.134 -23.773 -4.364 200 HD2 ARG 24 HD2 ARG 24 -23.330 -22.124 -6.248 201 HD3 ARG 24 HD3 ARG 24 -24.683 -23.060 -6.901 202 HE ARG 24 HE ARG 24 -25.324 -22.489 -4.223 203 HH11 ARG 24 HH11 ARG 24 -26.850 -19.436 -4.607 204 HH12 ARG 24 HH12 ARG 24 -26.626 -20.817 -3.577 205 HH21 ARG 24 HH21 ARG 24 -25.856 -19.301 -6.559 206 HH22 ARG 24 HH22 ARG 24 -24.821 -20.592 -7.133 207 H GLY 25 H GLY 25 -19.193 -23.967 -7.658 208 HA2 GLY 25 HA2 GLY 25 -17.645 -25.143 -8.853 209 HA3 GLY 25 HA3 GLY 25 -17.655 -26.318 -7.531 210 H THR 26 H THR 26 -20.416 -25.570 -9.662 211 HA THR 26 HA THR 26 -20.194 -28.289 -10.903 212 HB THR 26 HB THR 26 -21.722 -28.217 -8.948 213 HG1 THR 26 HG1 THR 26 -22.828 -28.768 -11.484 214 HG21 THR 26 HG21 THR 26 -22.688 -25.976 -9.212 215 HG22 THR 26 HG22 THR 26 -23.503 -26.479 -10.707 216 HG23 THR 26 HG23 THR 26 -23.938 -27.224 -9.154 217 H CYS 27 H CYS 27 -19.947 -25.220 -11.828 218 HA CYS 27 HA CYS 27 -21.856 -24.887 -13.899 219 HB2 CYS 27 HB2 CYS 27 -20.312 -23.132 -12.905 220 HB3 CYS 27 HB3 CYS 27 -18.992 -23.827 -13.861 221 H SER 28 H SER 28 -21.934 -25.563 -15.990 222 HA SER 28 HA SER 28 -20.446 -27.937 -16.765 223 HB2 SER 28 HB2 SER 28 -22.544 -26.357 -18.289 224 HB3 SER 28 HB3 SER 28 -21.981 -27.991 -18.675 225 HG SER 28 HG SER 28 -23.929 -28.039 -17.481 226 H ARG 29 H ARG 29 -19.519 -24.721 -17.222 227 HA ARG 29 HA ARG 29 -18.068 -25.321 -19.796 228 HB2 ARG 29 HB2 ARG 29 -19.489 -22.815 -18.871 229 HB3 ARG 29 HB3 ARG 29 -18.492 -22.890 -20.298 230 HG2 ARG 29 HG2 ARG 29 -20.010 -24.169 -21.537 231 HG3 ARG 29 HG3 ARG 29 -20.824 -24.816 -20.116 232 HD2 ARG 29 HD2 ARG 29 -21.013 -21.951 -21.085 233 HD3 ARG 29 HD3 ARG 29 -22.257 -23.188 -21.254 234 HE ARG 29 HE ARG 29 -21.411 -21.809 -18.736 235 HH11 ARG 29 HH11 ARG 29 -23.609 -23.309 -16.694 236 HH12 ARG 29 HH12 ARG 29 -22.095 -22.435 -16.846 237 HH21 ARG 29 HH21 ARG 29 -24.439 -24.350 -18.493 238 HH22 ARG 29 HH22 ARG 29 -23.770 -24.057 -20.080 239 HA PRO 30 HA PRO 30 -14.524 -23.494 -17.656 240 HB2 PRO 30 HB2 PRO 30 -12.935 -22.798 -19.756 241 HB3 PRO 30 HB3 PRO 30 -13.236 -24.511 -19.326 242 HG2 PRO 30 HG2 PRO 30 -14.643 -22.845 -21.432 243 HG3 PRO 30 HG3 PRO 30 -13.923 -24.476 -21.622 244 HD2 PRO 30 HD2 PRO 30 -16.591 -24.122 -21.146 245 HD3 PRO 30 HD3 PRO 30 -15.693 -25.493 -20.442 246 H ASP 31 H ASP 31 -13.383 -21.319 -17.613 247 HA ASP 31 HA ASP 31 -15.168 -19.154 -17.415 248 HB2 ASP 31 HB2 ASP 31 -13.232 -17.781 -17.070 249 HB3 ASP 31 HB3 ASP 31 -12.998 -19.326 -16.253 250 H THR 32 H THR 32 -13.420 -20.209 -20.265 251 HA THR 32 HA THR 32 -13.747 -17.773 -21.786 252 HB THR 32 HB THR 32 -13.077 -19.322 -23.724 253 HG1 THR 32 HG1 THR 32 -13.498 -21.312 -23.042 254 HG21 THR 32 HG21 THR 32 -11.233 -19.151 -21.306 255 HG22 THR 32 HG22 THR 32 -10.748 -19.429 -22.993 256 HG23 THR 32 HG23 THR 32 -11.473 -17.880 -22.528 257 H GLU 33 H GLU 33 -15.971 -20.313 -21.097 258 HA GLU 33 HA GLU 33 -17.608 -19.690 -23.542 259 HB2 GLU 33 HB2 GLU 33 -16.750 -22.216 -22.231 260 HB3 GLU 33 HB3 GLU 33 -18.424 -22.185 -22.699 261 HG2 GLU 33 HG2 GLU 33 -17.141 -23.143 -24.484 262 HG3 GLU 33 HG3 GLU 33 -17.829 -21.612 -25.013 263 H CYS 34 H CYS 34 -17.825 -19.689 -20.032 264 HA CYS 34 HA CYS 34 -20.649 -20.144 -20.003 265 HB2 CYS 34 HB2 CYS 34 -18.913 -20.555 -18.159 266 HB3 CYS 34 HB3 CYS 34 -19.163 -18.852 -17.732 267 H LYS 35 H LYS 35 -21.997 -18.736 -18.676 268 HA LYS 35 HA LYS 35 -22.859 -16.442 -20.245 269 HB2 LYS 35 HB2 LYS 35 -24.862 -16.621 -18.961 270 HB3 LYS 35 HB3 LYS 35 -24.311 -18.276 -19.232 271 HG2 LYS 35 HG2 LYS 35 -23.147 -17.958 -16.845 272 HG3 LYS 35 HG3 LYS 35 -24.248 -16.592 -16.718 273 HD2 LYS 35 HD2 LYS 35 -25.356 -18.347 -15.620 274 HD3 LYS 35 HD3 LYS 35 -26.151 -18.218 -17.193 275 HE2 LYS 35 HE2 LYS 35 -25.810 -20.539 -16.820 276 HE3 LYS 35 HE3 LYS 35 -24.585 -20.059 -18.015 277 HZ1 LYS 35 HZ1 LYS 35 -23.743 -20.001 -15.193 278 HZ2 LYS 35 HZ2 LYS 35 -23.966 -21.474 -15.880 279 HZ3 LYS 35 HZ3 LYS 35 -22.902 -20.379 -16.471 280 H PHE 36 H PHE 36 -21.105 -16.797 -17.310 281 HA PHE 36 HA PHE 36 -21.010 -13.886 -16.813 282 HB2 PHE 36 HB2 PHE 36 -21.927 -16.021 -14.878 283 HB3 PHE 36 HB3 PHE 36 -21.336 -14.475 -14.317 284 HD1 PHE 36 HD1 PHE 36 -24.148 -15.961 -14.075 285 HD2 PHE 36 HD2 PHE 36 -22.653 -12.581 -16.304 286 HE1 PHE 36 HE1 PHE 36 -26.423 -14.974 -14.118 287 HE2 PHE 36 HE2 PHE 36 -24.921 -11.607 -16.342 288 HZ PHE 36 HZ PHE 36 -26.816 -12.795 -15.251 289 H ALA 37 H ALA 37 -19.363 -13.580 -14.795 290 HA ALA 37 HA ALA 37 -16.882 -14.639 -15.859 291 HB1 ALA 37 HB1 ALA 37 -15.901 -13.127 -14.176 292 HB2 ALA 37 HB2 ALA 37 -17.135 -12.303 -15.143 293 HB3 ALA 37 HB3 ALA 37 -17.521 -12.836 -13.498 294 H HIS 38 H HIS 38 -15.329 -15.888 -14.819 295 HA HIS 38 HA HIS 38 -16.137 -17.500 -12.430 296 HB2 HIS 38 HB2 HIS 38 -14.644 -18.334 -14.938 297 HB3 HIS 38 HB3 HIS 38 -14.696 -19.296 -13.469 298 HD1 HIS 38 HD1 HIS 38 -15.758 -20.864 -15.762 299 HD2 HIS 38 HD2 HIS 38 -18.134 -18.179 -13.579 300 HE1 HIS 38 HE1 HIS 38 -18.187 -21.547 -16.158 301 HA PRO 39 HA PRO 39 -12.359 -15.060 -11.316 302 HB2 PRO 39 HB2 PRO 39 -12.758 -15.182 -8.552 303 HB3 PRO 39 HB3 PRO 39 -13.393 -13.929 -9.647 304 HG2 PRO 39 HG2 PRO 39 -14.766 -16.408 -8.597 305 HG3 PRO 39 HG3 PRO 39 -15.431 -14.750 -8.722 306 HD2 PRO 39 HD2 PRO 39 -16.022 -16.645 -10.548 307 HD3 PRO 39 HD3 PRO 39 -15.738 -14.959 -11.064 308 H SER 40 H SER 40 -10.353 -15.613 -10.588 309 HA SER 40 HA SER 40 -9.736 -18.453 -10.109 310 HB2 SER 40 HB2 SER 40 -7.461 -17.808 -10.432 311 HB3 SER 40 HB3 SER 40 -8.396 -16.905 -11.646 312 HG SER 40 HG SER 40 -6.854 -15.605 -10.474 313 H LYS 41 H LYS 41 -7.664 -18.544 -8.547 314 HA LYS 41 HA LYS 41 -8.496 -18.300 -5.813 315 HB2 LYS 41 HB2 LYS 41 -5.813 -18.781 -7.177 316 HB3 LYS 41 HB3 LYS 41 -6.029 -18.839 -5.416 317 HG2 LYS 41 HG2 LYS 41 -7.734 -20.632 -5.677 318 HG3 LYS 41 HG3 LYS 41 -7.466 -20.624 -7.431 319 HD2 LYS 41 HD2 LYS 41 -5.086 -21.235 -7.075 320 HD3 LYS 41 HD3 LYS 41 -5.353 -21.242 -5.317 321 HE2 LYS 41 HE2 LYS 41 -7.072 -23.021 -5.591 322 HE3 LYS 41 HE3 LYS 41 -6.794 -23.022 -7.338 323 HZ1 LYS 41 HZ1 LYS 41 -5.536 -24.785 -6.241 324 HZ2 LYS 41 HZ2 LYS 41 -4.495 -23.718 -6.902 325 HZ3 LYS 41 HZ3 LYS 41 -4.754 -23.718 -5.288 326 H SER 42 H SER 42 -6.968 -15.929 -7.908 327 HA SER 42 HA SER 42 -6.333 -14.197 -5.549 328 HB2 SER 42 HB2 SER 42 -4.884 -12.921 -7.074 329 HB3 SER 42 HB3 SER 42 -4.369 -14.603 -6.890 330 HG SER 42 HG SER 42 -4.561 -13.548 -9.097 331 H CYS 43 H CYS 43 -8.515 -14.392 -8.303 332 HA CYS 43 HA CYS 43 -9.026 -11.638 -8.672 333 HB2 CYS 43 HB2 CYS 43 -10.828 -14.042 -9.039 334 HB3 CYS 43 HB3 CYS 43 -11.216 -12.404 -9.588 335 HG CYS 43 HG CYS 43 -8.463 -14.121 -10.345 336 H GLN 44 H GLN 44 -10.102 -10.113 -7.594 337 HA GLN 44 HA GLN 44 -11.233 -10.691 -4.950 338 HB2 GLN 44 HB2 GLN 44 -9.665 -8.816 -5.434 339 HB3 GLN 44 HB3 GLN 44 -10.898 -8.054 -6.453 340 HG2 GLN 44 HG2 GLN 44 -12.388 -7.831 -4.521 341 HG3 GLN 44 HG3 GLN 44 -11.267 -8.737 -3.496 342 HE21 GLN 44 HE21 GLN 44 -12.337 -5.952 -3.168 343 HE22 GLN 44 HE22 GLN 44 -10.880 -4.950 -3.079 344 H VAL 45 H VAL 45 -13.348 -10.711 -4.436 345 HA VAL 45 HA VAL 45 -15.418 -10.248 -6.560 346 HB VAL 45 HB VAL 45 -15.579 -12.112 -4.182 347 HG11 VAL 45 HG11 VAL 45 -17.473 -13.132 -5.387 348 HG12 VAL 45 HG12 VAL 45 -17.778 -11.428 -5.056 349 HG13 VAL 45 HG13 VAL 45 -17.293 -11.939 -6.687 350 HG21 VAL 45 HG21 VAL 45 -15.294 -14.012 -5.720 351 HG22 VAL 45 HG22 VAL 45 -14.927 -12.892 -7.043 352 HG23 VAL 45 HG23 VAL 45 -13.838 -13.022 -5.649 353 H GLU 46 H GLU 46 -17.221 -9.074 -6.025 354 HA GLU 46 HA GLU 46 -17.590 -8.012 -3.260 355 HB2 GLU 46 HB2 GLU 46 -17.482 -6.308 -5.784 356 HB3 GLU 46 HB3 GLU 46 -17.882 -5.732 -4.176 357 HG2 GLU 46 HG2 GLU 46 -15.187 -6.833 -5.082 358 HG3 GLU 46 HG3 GLU 46 -15.615 -5.136 -4.921 359 H ASN 47 H ASN 47 -19.666 -8.188 -2.702 360 HA ASN 47 HA ASN 47 -21.881 -8.690 -2.789 361 HB2 ASN 47 HB2 ASN 47 -21.460 -6.172 -2.965 362 HB3 ASN 47 HB3 ASN 47 -21.850 -6.324 -4.679 363 HD21 ASN 47 HD21 ASN 47 -23.710 -4.955 -4.494 364 HD22 ASN 47 HD22 ASN 47 -25.149 -5.494 -3.641 365 H GLY 48 H GLY 48 -20.726 -10.469 -4.693 366 HA2 GLY 48 HA2 GLY 48 -21.750 -12.091 -6.062 367 HA3 GLY 48 HA3 GLY 48 -23.112 -11.006 -6.353 368 H ARG 49 H ARG 49 -20.040 -9.561 -6.885 369 HA ARG 49 HA ARG 49 -19.952 -10.155 -9.805 370 HB2 ARG 49 HB2 ARG 49 -19.831 -7.355 -8.607 371 HB3 ARG 49 HB3 ARG 49 -19.762 -7.814 -10.311 372 HG2 ARG 49 HG2 ARG 49 -22.135 -8.695 -10.080 373 HG3 ARG 49 HG3 ARG 49 -22.178 -7.954 -8.463 374 HD2 ARG 49 HD2 ARG 49 -21.759 -5.748 -9.408 375 HD3 ARG 49 HD3 ARG 49 -21.400 -6.476 -10.981 376 HE ARG 49 HE ARG 49 -24.129 -6.439 -9.761 377 HH11 ARG 49 HH11 ARG 49 -23.523 -6.545 -13.689 378 HH12 ARG 49 HH12 ARG 49 -22.119 -6.187 -12.690 379 HH21 ARG 49 HH21 ARG 49 -25.405 -6.854 -12.935 380 HH22 ARG 49 HH22 ARG 49 -25.820 -6.692 -11.238 381 H VAL 50 H VAL 50 -18.036 -9.218 -10.804 382 HA VAL 50 HA VAL 50 -15.593 -9.006 -9.102 383 HB VAL 50 HB VAL 50 -14.441 -10.431 -10.840 384 HG11 VAL 50 HG11 VAL 50 -14.707 -11.269 -8.646 385 HG12 VAL 50 HG12 VAL 50 -16.407 -11.695 -8.923 386 HG13 VAL 50 HG13 VAL 50 -15.121 -12.579 -9.757 387 HG21 VAL 50 HG21 VAL 50 -17.255 -11.439 -11.471 388 HG22 VAL 50 HG22 VAL 50 -16.154 -10.628 -12.595 389 HG23 VAL 50 HG23 VAL 50 -15.745 -12.221 -11.941 390 H ILE 51 H ILE 51 -14.115 -7.515 -9.949 391 HA ILE 51 HA ILE 51 -15.039 -5.906 -12.261 392 HB ILE 51 HB ILE 51 -12.783 -5.502 -10.271 393 HG12 ILE 51 HG12 ILE 51 -15.497 -4.188 -10.617 394 HG13 ILE 51 HG13 ILE 51 -15.038 -5.309 -9.332 395 HG21 ILE 51 HG21 ILE 51 -12.558 -3.234 -11.256 396 HG22 ILE 51 HG22 ILE 51 -12.211 -4.446 -12.465 397 HG23 ILE 51 HG23 ILE 51 -13.791 -3.630 -12.473 398 HD11 ILE 51 HD11 ILE 51 -14.019 -2.481 -9.702 399 HD12 ILE 51 HD12 ILE 51 -15.042 -3.121 -8.413 400 HD13 ILE 51 HD13 ILE 51 -13.347 -3.645 -8.528 401 H ALA 52 H ALA 52 -14.114 -5.900 -14.263 402 HA ALA 52 HA ALA 52 -12.216 -8.013 -14.930 403 HB1 ALA 52 HB1 ALA 52 -13.555 -5.902 -16.660 404 HB2 ALA 52 HB2 ALA 52 -12.617 -7.287 -17.236 405 HB3 ALA 52 HB3 ALA 52 -14.141 -7.551 -16.365 406 H CYS 53 H CYS 53 -10.221 -7.778 -15.946 407 HA CYS 53 HA CYS 53 -8.468 -5.781 -14.869 408 HB2 CYS 53 HB2 CYS 53 -8.070 -8.282 -15.395 409 HB3 CYS 53 HB3 CYS 53 -7.906 -7.763 -17.070 410 H PHE 54 H PHE 54 -9.031 -3.708 -15.646 411 HA PHE 54 HA PHE 54 -9.706 -3.029 -18.308 412 HB2 PHE 54 HB2 PHE 54 -8.989 -0.711 -17.697 413 HB3 PHE 54 HB3 PHE 54 -10.151 -1.441 -16.615 414 HD1 PHE 54 HD1 PHE 54 -6.601 -0.399 -16.948 415 HD2 PHE 54 HD2 PHE 54 -9.670 -1.877 -14.298 416 HE1 PHE 54 HE1 PHE 54 -5.123 0.023 -15.008 417 HE2 PHE 54 HE2 PHE 54 -8.219 -1.404 -12.352 418 HZ PHE 54 HZ PHE 54 -5.932 -0.458 -12.694 419 H ASP 55 H ASP 55 -6.479 -3.326 -16.843 420 HA ASP 55 HA ASP 55 -4.979 -2.227 -19.011 421 HB2 ASP 55 HB2 ASP 55 -4.264 -4.298 -16.901 422 HB3 ASP 55 HB3 ASP 55 -3.113 -3.629 -18.057 423 H SER 56 H SER 56 -6.488 -5.438 -18.677 424 HA SER 56 HA SER 56 -4.990 -6.623 -20.863 425 HB2 SER 56 HB2 SER 56 -6.413 -8.481 -20.681 426 HB3 SER 56 HB3 SER 56 -6.157 -7.892 -19.041 427 HG SER 56 HG SER 56 -8.220 -6.879 -19.167 428 H LEU 57 H LEU 57 -8.070 -4.874 -20.629 429 HA LEU 57 HA LEU 57 -8.793 -5.200 -23.428 430 HB2 LEU 57 HB2 LEU 57 -9.736 -3.368 -21.179 431 HB3 LEU 57 HB3 LEU 57 -10.395 -3.261 -22.806 432 HG LEU 57 HG LEU 57 -10.505 -5.767 -21.080 433 HD11 LEU 57 HD11 LEU 57 -11.828 -3.924 -20.127 434 HD12 LEU 57 HD12 LEU 57 -12.637 -3.674 -21.689 435 HD13 LEU 57 HD13 LEU 57 -12.889 -5.180 -20.779 436 HD21 LEU 57 HD21 LEU 57 -11.838 -5.024 -23.729 437 HD22 LEU 57 HD22 LEU 57 -10.668 -6.337 -23.458 438 HD23 LEU 57 HD23 LEU 57 -12.282 -6.436 -22.751 439 H LYS 58 H LYS 58 -7.256 -2.602 -21.517 440 HA LYS 58 HA LYS 58 -6.992 -0.772 -23.767 441 HB2 LYS 58 HB2 LYS 58 -5.704 -0.801 -21.004 442 HB3 LYS 58 HB3 LYS 58 -5.575 0.532 -22.138 443 HG2 LYS 58 HG2 LYS 58 -8.152 -0.474 -20.857 444 HG3 LYS 58 HG3 LYS 58 -7.256 0.962 -20.401 445 HD2 LYS 58 HD2 LYS 58 -8.754 0.500 -23.013 446 HD3 LYS 58 HD3 LYS 58 -9.250 1.529 -21.666 447 HE2 LYS 58 HE2 LYS 58 -7.226 2.951 -22.010 448 HE3 LYS 58 HE3 LYS 58 -6.759 1.944 -23.388 449 HZ1 LYS 58 HZ1 LYS 58 -7.961 3.924 -24.111 450 HZ2 LYS 58 HZ2 LYS 58 -8.836 2.600 -24.487 451 HZ3 LYS 58 HZ3 LYS 58 -9.266 3.531 -23.214 452 H GLY 59 H GLY 59 -5.182 -3.533 -22.969 453 HA2 GLY 59 HA2 GLY 59 -3.418 -4.472 -24.152 454 HA3 GLY 59 HA3 GLY 59 -3.259 -3.001 -25.110 455 H ARG 60 H ARG 60 -3.070 -3.416 -21.582 456 HA ARG 60 HA ARG 60 -0.200 -2.538 -21.552 457 HB2 ARG 60 HB2 ARG 60 -1.859 -0.732 -21.092 458 HB3 ARG 60 HB3 ARG 60 -2.446 -1.634 -19.694 459 HG2 ARG 60 HG2 ARG 60 -0.373 -1.321 -18.513 460 HG3 ARG 60 HG3 ARG 60 0.465 -0.784 -19.984 461 HD2 ARG 60 HD2 ARG 60 -0.006 1.126 -18.557 462 HD3 ARG 60 HD3 ARG 60 -0.936 1.243 -20.061 463 HE ARG 60 HE ARG 60 -2.475 -0.075 -17.982 464 HH11 ARG 60 HH11 ARG 60 -2.955 3.864 -18.112 465 HH12 ARG 60 HH12 ARG 60 -1.550 3.192 -18.898 466 HH21 ARG 60 HH21 ARG 60 -4.419 2.485 -17.065 467 HH22 ARG 60 HH22 ARG 60 -4.086 0.745 -17.089 468 H CYS 61 H CYS 61 -2.480 -4.856 -20.289 469 HA CYS 61 HA CYS 61 -1.080 -5.510 -17.886 470 HB2 CYS 61 HB2 CYS 61 -3.482 -6.024 -18.499 471 HB3 CYS 61 HB3 CYS 61 -2.890 -7.349 -19.503 472 H SER 62 H SER 62 0.176 -7.284 -17.376 473 HA SER 62 HA SER 62 1.526 -8.911 -19.443 474 HB2 SER 62 HB2 SER 62 3.777 -8.235 -18.725 475 HB3 SER 62 HB3 SER 62 2.870 -6.861 -19.368 476 HG SER 62 HG SER 62 3.958 -6.335 -17.415 477 H ARG 63 H ARG 63 0.031 -8.873 -16.549 478 HA ARG 63 HA ARG 63 1.711 -10.769 -15.006 479 HB2 ARG 63 HB2 ARG 63 -1.010 -9.497 -14.619 480 HB3 ARG 63 HB3 ARG 63 -0.270 -10.538 -13.413 481 HG2 ARG 63 HG2 ARG 63 1.571 -8.896 -13.120 482 HG3 ARG 63 HG3 ARG 63 0.760 -7.805 -14.263 483 HD2 ARG 63 HD2 ARG 63 -0.419 -8.889 -11.660 484 HD3 ARG 63 HD3 ARG 63 0.200 -7.245 -11.892 485 HE ARG 63 HE ARG 63 -2.233 -8.442 -13.208 486 HH11 ARG 63 HH11 ARG 63 -0.624 -5.400 -12.463 487 HH12 ARG 63 HH12 ARG 63 -1.899 -4.512 -13.261 488 HH21 ARG 63 HH21 ARG 63 -3.582 -5.618 -14.266 489 HH22 ARG 63 HH22 ARG 63 -3.606 -7.360 -14.227 490 H GLU 64 H GLU 64 0.459 -12.515 -13.941 491 HA GLU 64 HA GLU 64 -1.638 -13.901 -15.521 492 HB2 GLU 64 HB2 GLU 64 0.969 -15.217 -14.625 493 HB3 GLU 64 HB3 GLU 64 -0.450 -16.073 -15.243 494 HG2 GLU 64 HG2 GLU 64 -0.256 -14.792 -17.388 495 HG3 GLU 64 HG3 GLU 64 1.267 -14.110 -16.802 496 H ASN 65 H ASN 65 -1.417 -12.305 -13.010 497 HA ASN 65 HA ASN 65 -2.688 -14.176 -11.094 498 HB2 ASN 65 HB2 ASN 65 -1.156 -13.491 -9.311 499 HB3 ASN 65 HB3 ASN 65 -0.241 -14.201 -10.637 500 HD21 ASN 65 HD21 ASN 65 -0.741 -11.336 -8.727 501 HD22 ASN 65 HD22 ASN 65 0.502 -10.378 -9.524 502 H CYS 66 H CYS 66 -3.278 -11.370 -12.674 503 HA CYS 66 HA CYS 66 -3.690 -9.332 -10.897 504 HB2 CYS 66 HB2 CYS 66 -5.743 -10.073 -13.007 505 HB3 CYS 66 HB3 CYS 66 -5.220 -8.466 -12.521 506 H LYS 67 H LYS 67 -5.372 -8.554 -9.653 507 HA LYS 67 HA LYS 67 -7.167 -10.514 -8.403 508 HB2 LYS 67 HB2 LYS 67 -7.322 -7.531 -7.941 509 HB3 LYS 67 HB3 LYS 67 -7.770 -8.863 -6.876 510 HG2 LYS 67 HG2 LYS 67 -5.276 -9.487 -6.823 511 HG3 LYS 67 HG3 LYS 67 -4.972 -7.908 -7.581 512 HD2 LYS 67 HD2 LYS 67 -6.436 -8.390 -4.953 513 HD3 LYS 67 HD3 LYS 67 -4.748 -7.883 -5.097 514 HE2 LYS 67 HE2 LYS 67 -5.315 -5.746 -5.977 515 HE3 LYS 67 HE3 LYS 67 -6.966 -6.235 -6.374 516 HZ1 LYS 67 HZ1 LYS 67 -6.001 -6.031 -3.582 517 HZ2 LYS 67 HZ2 LYS 67 -6.810 -4.841 -4.358 518 HZ3 LYS 67 HZ3 LYS 67 -7.554 -6.262 -4.091 519 H TYR 68 H TYR 68 -7.333 -9.228 -11.294 520 HA TYR 68 HA TYR 68 -10.258 -8.704 -11.350 521 HB2 TYR 68 HB2 TYR 68 -8.063 -7.395 -12.994 522 HB3 TYR 68 HB3 TYR 68 -9.772 -6.987 -12.983 523 HD1 TYR 68 HD1 TYR 68 -10.804 -5.920 -10.975 524 HD2 TYR 68 HD2 TYR 68 -6.550 -6.521 -11.291 525 HE1 TYR 68 HE1 TYR 68 -10.443 -4.291 -9.124 526 HE2 TYR 68 HE2 TYR 68 -6.185 -4.894 -9.444 527 HH TYR 68 HH TYR 68 -8.898 -3.241 -7.786 528 H LEU 69 H LEU 69 -11.349 -9.332 -13.219 529 HA LEU 69 HA LEU 69 -10.410 -11.844 -14.355 530 HB2 LEU 69 HB2 LEU 69 -12.929 -10.162 -14.487 531 HB3 LEU 69 HB3 LEU 69 -12.716 -11.450 -15.644 532 HG LEU 69 HG LEU 69 -14.079 -12.013 -13.655 533 HD11 LEU 69 HD11 LEU 69 -11.605 -13.754 -14.007 534 HD12 LEU 69 HD12 LEU 69 -13.192 -14.260 -13.393 535 HD13 LEU 69 HD13 LEU 69 -13.022 -13.750 -15.078 536 HD21 LEU 69 HD21 LEU 69 -11.462 -12.173 -12.147 537 HD22 LEU 69 HD22 LEU 69 -12.639 -10.878 -11.936 538 HD23 LEU 69 HD23 LEU 69 -13.082 -12.555 -11.536 539 H HIS 70 H HIS 70 -9.387 -12.199 -16.280 540 HA HIS 70 HA HIS 70 -9.075 -10.043 -18.255 541 HB2 HIS 70 HB2 HIS 70 -8.341 -12.993 -18.358 542 HB3 HIS 70 HB3 HIS 70 -8.026 -11.841 -19.651 543 HD1 HIS 70 HD1 HIS 70 -5.730 -13.400 -17.762 544 HD2 HIS 70 HD2 HIS 70 -7.037 -9.418 -17.681 545 HE1 HIS 70 HE1 HIS 70 -3.887 -12.049 -16.610 546 HA PRO 71 HA PRO 71 -13.283 -10.909 -19.593 547 HB2 PRO 71 HB2 PRO 71 -12.306 -9.414 -22.032 548 HB3 PRO 71 HB3 PRO 71 -13.889 -9.294 -21.195 549 HG2 PRO 71 HG2 PRO 71 -11.986 -7.472 -20.673 550 HG3 PRO 71 HG3 PRO 71 -12.802 -8.251 -19.282 551 HD2 PRO 71 HD2 PRO 71 -10.139 -8.991 -20.528 552 HD3 PRO 71 HD3 PRO 71 -10.525 -8.677 -18.816 553 HA PRO 72 HA PRO 72 -12.420 -14.428 -22.338 554 HB2 PRO 72 HB2 PRO 72 -14.731 -15.829 -22.037 555 HB3 PRO 72 HB3 PRO 72 -13.497 -15.716 -20.735 556 HG2 PRO 72 HG2 PRO 72 -16.046 -14.124 -21.058 557 HG3 PRO 72 HG3 PRO 72 -15.429 -14.930 -19.582 558 HD2 PRO 72 HD2 PRO 72 -15.059 -12.260 -20.107 559 HD3 PRO 72 HD3 PRO 72 -13.886 -13.231 -19.174 560 HA PRO 73 HA PRO 73 -14.097 -13.159 -26.265 561 HB2 PRO 73 HB2 PRO 73 -14.862 -16.063 -26.637 562 HB3 PRO 73 HB3 PRO 73 -14.096 -14.942 -27.808 563 HG2 PRO 73 HG2 PRO 73 -12.576 -16.712 -26.441 564 HG3 PRO 73 HG3 PRO 73 -12.018 -15.018 -26.627 565 HD2 PRO 73 HD2 PRO 73 -13.295 -16.324 -24.225 566 HD3 PRO 73 HD3 PRO 73 -11.951 -15.141 -24.311 567 H HIS 74 H HIS 74 -16.253 -15.314 -24.416 568 HA HIS 74 HA HIS 74 -18.664 -14.403 -25.797 569 HB2 HIS 74 HB2 HIS 74 -18.206 -16.244 -23.404 570 HB3 HIS 74 HB3 HIS 74 -19.794 -15.883 -24.071 571 HD1 HIS 74 HD1 HIS 74 -16.683 -17.968 -24.904 572 HD2 HIS 74 HD2 HIS 74 -20.380 -16.753 -26.573 573 HE1 HIS 74 HE1 HIS 74 -17.041 -19.394 -27.016 574 HE2 HIS 74 HE2 HIS 74 -19.307 -18.675 -28.007 575 H LEU 75 H LEU 75 -16.926 -13.002 -23.199 576 HA LEU 75 HA LEU 75 -19.316 -11.325 -22.543 577 HB2 LEU 75 HB2 LEU 75 -17.054 -12.063 -20.689 578 HB3 LEU 75 HB3 LEU 75 -18.371 -10.971 -20.298 579 HG LEU 75 HG LEU 75 -18.801 -13.884 -21.055 580 HD11 LEU 75 HD11 LEU 75 -17.461 -13.523 -18.902 581 HD12 LEU 75 HD12 LEU 75 -18.973 -12.853 -18.233 582 HD13 LEU 75 HD13 LEU 75 -18.924 -14.515 -18.838 583 HD21 LEU 75 HD21 LEU 75 -20.651 -11.868 -19.745 584 HD22 LEU 75 HD22 LEU 75 -20.768 -12.480 -21.413 585 HD23 LEU 75 HD23 LEU 75 -20.998 -13.585 -20.066 586 H LYS 76 H LYS 76 -16.229 -11.204 -24.024 587 HA LYS 76 HA LYS 76 -15.510 -8.463 -23.482 588 HB2 LYS 76 HB2 LYS 76 -15.169 -10.286 -25.899 589 HB3 LYS 76 HB3 LYS 76 -14.646 -8.592 -25.929 590 HG2 LYS 76 HG2 LYS 76 -13.151 -8.904 -24.077 591 HG3 LYS 76 HG3 LYS 76 -13.764 -10.530 -23.759 592 HD2 LYS 76 HD2 LYS 76 -11.614 -10.690 -24.821 593 HD3 LYS 76 HD3 LYS 76 -12.850 -11.307 -25.923 594 HE2 LYS 76 HE2 LYS 76 -12.832 -9.145 -27.158 595 HE3 LYS 76 HE3 LYS 76 -11.632 -8.504 -26.026 596 HZ1 LYS 76 HZ1 LYS 76 -10.089 -10.233 -26.791 597 HZ2 LYS 76 HZ2 LYS 76 -11.198 -10.823 -27.839 598 HZ3 LYS 76 HZ3 LYS 76 -10.584 -9.327 -28.054 599 H THR 77 H THR 77 -17.924 -9.871 -25.697 600 HA THR 77 HA THR 77 -18.832 -7.454 -26.915 601 HB THR 77 HB THR 77 -20.486 -9.927 -26.305 602 HG1 THR 77 HG1 THR 77 -19.721 -10.648 -28.310 603 HG21 THR 77 HG21 THR 77 -21.794 -8.047 -27.230 604 HG22 THR 77 HG22 THR 77 -20.614 -7.856 -28.546 605 HG23 THR 77 HG23 THR 77 -21.613 -9.325 -28.438 606 H GLN 78 H GLN 78 -19.798 -9.093 -23.869 607 HA GLN 78 HA GLN 78 -22.016 -7.364 -23.250 608 HB2 GLN 78 HB2 GLN 78 -21.740 -9.660 -22.384 609 HB3 GLN 78 HB3 GLN 78 -20.278 -9.190 -21.527 610 HG2 GLN 78 HG2 GLN 78 -22.098 -9.385 -20.001 611 HG3 GLN 78 HG3 GLN 78 -21.552 -7.710 -20.053 612 HE21 GLN 78 HE21 GLN 78 -23.137 -6.065 -20.613 613 HE22 GLN 78 HE22 GLN 78 -24.757 -6.512 -21.111 614 H LEU 79 H LEU 79 -18.544 -7.371 -22.342 615 HA LEU 79 HA LEU 79 -18.734 -5.057 -20.622 616 HB2 LEU 79 HB2 LEU 79 -16.369 -6.337 -22.055 617 HB3 LEU 79 HB3 LEU 79 -16.234 -5.021 -20.899 618 HG LEU 79 HG LEU 79 -17.174 -7.856 -20.357 619 HD11 LEU 79 HD11 LEU 79 -15.256 -7.921 -18.907 620 HD12 LEU 79 HD12 LEU 79 -14.749 -7.299 -20.494 621 HD13 LEU 79 HD13 LEU 79 -14.955 -6.178 -19.134 622 HD21 LEU 79 HD21 LEU 79 -18.654 -6.561 -19.008 623 HD22 LEU 79 HD22 LEU 79 -17.353 -7.098 -17.941 624 HD23 LEU 79 HD23 LEU 79 -17.359 -5.426 -18.542 625 H GLU 80 H GLU 80 -17.875 -5.324 -24.135 626 HA GLU 80 HA GLU 80 -17.406 -2.469 -24.274 627 HB2 GLU 80 HB2 GLU 80 -17.458 -2.535 -26.594 628 HB3 GLU 80 HB3 GLU 80 -16.558 -3.938 -26.042 629 HG2 GLU 80 HG2 GLU 80 -18.169 -5.439 -26.801 630 HG3 GLU 80 HG3 GLU 80 -19.483 -4.267 -26.763 631 H ILE 81 H ILE 81 -20.411 -4.378 -24.557 632 HA ILE 81 HA ILE 81 -22.112 -2.165 -25.286 633 HB ILE 81 HB ILE 81 -22.620 -4.861 -23.990 634 HG12 ILE 81 HG12 ILE 81 -23.464 -3.688 -26.684 635 HG13 ILE 81 HG13 ILE 81 -21.987 -4.608 -26.451 636 HG21 ILE 81 HG21 ILE 81 -24.354 -3.369 -23.067 637 HG22 ILE 81 HG22 ILE 81 -24.721 -2.758 -24.699 638 HG23 ILE 81 HG23 ILE 81 -25.061 -4.444 -24.255 639 HD11 ILE 81 HD11 ILE 81 -23.626 -6.096 -27.355 640 HD12 ILE 81 HD12 ILE 81 -23.358 -6.568 -25.665 641 HD13 ILE 81 HD13 ILE 81 -24.820 -5.662 -26.126 642 H ASN 82 H ASN 82 -21.079 -3.456 -22.094 643 HA ASN 82 HA ASN 82 -22.580 -1.593 -20.501 644 HB2 ASN 82 HB2 ASN 82 -19.907 -2.955 -19.939 645 HB3 ASN 82 HB3 ASN 82 -20.843 -2.049 -18.762 646 HD21 ASN 82 HD21 ASN 82 -20.202 -4.313 -17.875 647 HD22 ASN 82 HD22 ASN 82 -21.529 -5.478 -17.961 648 H GLY 83 H GLY 83 -19.221 -1.401 -21.803 649 HA2 GLY 83 HA2 GLY 83 -18.489 1.146 -20.784 650 HA3 GLY 83 HA3 GLY 83 -17.821 0.369 -22.223 651 H ARG 84 H ARG 84 -19.959 0.285 -23.934 652 HA ARG 84 HA ARG 84 -20.194 2.917 -25.046 653 HB2 ARG 84 HB2 ARG 84 -21.692 0.305 -25.482 654 HB3 ARG 84 HB3 ARG 84 -22.047 1.752 -26.419 655 HG2 ARG 84 HG2 ARG 84 -19.889 1.810 -27.432 656 HG3 ARG 84 HG3 ARG 84 -19.196 0.706 -26.253 657 HD2 ARG 84 HD2 ARG 84 -19.449 -0.457 -28.332 658 HD3 ARG 84 HD3 ARG 84 -20.557 -1.157 -27.146 659 HE ARG 84 HE ARG 84 -22.029 0.790 -28.541 660 HH11 ARG 84 HH11 ARG 84 -23.410 0.316 -30.208 661 HH12 ARG 84 HH12 ARG 84 -23.171 -1.120 -31.158 662 HH21 ARG 84 HH21 ARG 84 -21.529 -2.500 -30.746 663 HH22 ARG 84 HH22 ARG 84 -20.380 -2.210 -29.467 664 H ASN 85 H ASN 85 -21.907 1.576 -22.425 665 HA ASN 85 HA ASN 85 -24.028 3.654 -22.629 666 HB2 ASN 85 HB2 ASN 85 -24.073 0.849 -21.464 667 HB3 ASN 85 HB3 ASN 85 -25.275 2.061 -21.034 668 HD21 ASN 85 HD21 ASN 85 -24.185 -0.065 -23.599 669 HD22 ASN 85 HD22 ASN 85 -25.546 0.287 -24.668 670 H ASN 86 H ASN 86 -21.128 3.350 -21.262 671 HA ASN 86 HA ASN 86 -21.858 4.695 -18.676 672 HB2 ASN 86 HB2 ASN 86 -20.880 2.400 -18.436 673 HB3 ASN 86 HB3 ASN 86 -19.442 2.929 -19.311 674 HD21 ASN 86 HD21 ASN 86 -17.797 3.897 -18.113 675 HD22 ASN 86 HD22 ASN 86 -17.994 4.358 -16.432 676 H LEU 87 H LEU 87 -19.625 4.610 -21.443 677 HA LEU 87 HA LEU 87 -18.144 7.021 -20.693 678 HB2 LEU 87 HB2 LEU 87 -18.239 5.327 -23.227 679 HB3 LEU 87 HB3 LEU 87 -17.043 6.575 -22.899 680 HG LEU 87 HG LEU 87 -17.358 4.058 -21.192 681 HD11 LEU 87 HD11 LEU 87 -15.363 4.675 -23.401 682 HD12 LEU 87 HD12 LEU 87 -15.366 3.241 -22.347 683 HD13 LEU 87 HD13 LEU 87 -16.696 3.501 -23.490 684 HD21 LEU 87 HD21 LEU 87 -16.286 5.915 -19.983 685 HD22 LEU 87 HD22 LEU 87 -15.114 4.649 -20.371 686 HD23 LEU 87 HD23 LEU 87 -15.146 6.147 -21.328 687 H ILE 88 H ILE 88 -21.212 6.776 -21.703 688 HA ILE 88 HA ILE 88 -21.588 8.335 -23.975 689 HB ILE 88 HB ILE 88 -23.912 8.593 -23.136 690 HG12 ILE 88 HG12 ILE 88 -22.936 7.153 -20.621 691 HG13 ILE 88 HG13 ILE 88 -23.411 8.850 -20.708 692 HG21 ILE 88 HG21 ILE 88 -24.461 6.241 -23.295 693 HG22 ILE 88 HG22 ILE 88 -23.096 6.575 -24.355 694 HG23 ILE 88 HG23 ILE 88 -22.822 5.771 -22.799 695 HD11 ILE 88 HD11 ILE 88 -25.225 6.447 -21.136 696 HD12 ILE 88 HD12 ILE 88 -25.233 7.590 -19.786 697 HD13 ILE 88 HD13 ILE 88 -25.711 8.141 -21.404 698 H GLN 89 H GLN 89 -22.578 10.300 -24.271 699 HA GLN 89 HA GLN 89 -21.265 12.566 -23.147 700 HB2 GLN 89 HB2 GLN 89 -22.188 12.497 -25.428 701 HB3 GLN 89 HB3 GLN 89 -23.827 12.358 -24.791 702 HG2 GLN 89 HG2 GLN 89 -23.345 14.634 -25.580 703 HG3 GLN 89 HG3 GLN 89 -23.709 14.626 -23.862 704 HE21 GLN 89 HE21 GLN 89 -21.190 15.271 -26.274 705 HE22 GLN 89 HE22 GLN 89 -20.036 15.907 -25.108 706 H GLN 90 H GLN 90 -21.825 14.011 -21.622 707 HA GLN 90 HA GLN 90 -24.364 13.813 -20.117 708 HB2 GLN 90 HB2 GLN 90 -23.187 13.421 -17.969 709 HB3 GLN 90 HB3 GLN 90 -23.052 12.097 -19.112 710 HG2 GLN 90 HG2 GLN 90 -20.717 13.111 -19.746 711 HG3 GLN 90 HG3 GLN 90 -20.893 14.053 -18.266 712 HE21 GLN 90 HE21 GLN 90 -20.763 10.701 -19.605 713 HE22 GLN 90 HE22 GLN 90 -20.233 9.978 -18.090 714 H LYS 91 H LYS 91 -22.235 15.861 -21.549 715 HA LYS 91 HA LYS 91 -21.974 18.019 -19.657 716 HB2 LYS 91 HB2 LYS 91 -20.609 17.706 -21.715 717 HB3 LYS 91 HB3 LYS 91 -22.036 18.015 -22.712 718 HG2 LYS 91 HG2 LYS 91 -22.171 20.322 -21.828 719 HG3 LYS 91 HG3 LYS 91 -20.788 20.000 -20.760 720 HD2 LYS 91 HD2 LYS 91 -19.341 19.634 -22.745 721 HD3 LYS 91 HD3 LYS 91 -20.738 19.833 -23.807 722 HE2 LYS 91 HE2 LYS 91 -19.533 21.883 -23.873 723 HE3 LYS 91 HE3 LYS 91 -21.028 22.174 -22.982 724 HZ1 LYS 91 HZ1 LYS 91 -19.095 23.174 -21.886 725 HZ2 LYS 91 HZ2 LYS 91 -19.736 22.037 -20.913 726 HZ3 LYS 91 HZ3 LYS 91 -18.359 21.728 -21.741 727 H ASN 92 H ASN 92 -23.225 19.846 -19.333 728 HA ASN 92 HA ASN 92 -26.049 19.657 -19.467 729 HB2 ASN 92 HB2 ASN 92 -24.791 21.029 -17.831 730 HB3 ASN 92 HB3 ASN 92 -24.263 22.106 -19.129 731 HD21 ASN 92 HD21 ASN 92 -25.289 23.758 -17.663 732 HD22 ASN 92 HD22 ASN 92 -27.020 24.014 -17.847 Start of MODEL 18 1 H MET 1 H MET 1 -32.767 11.894 -3.181 2 HA MET 1 HA MET 1 -32.479 9.542 -3.105 3 HB2 MET 1 HB2 MET 1 -35.491 9.981 -3.285 4 HB3 MET 1 HB3 MET 1 -34.707 8.556 -2.596 5 HG2 MET 1 HG2 MET 1 -34.474 11.394 -1.532 6 HG3 MET 1 HG3 MET 1 -35.471 10.108 -0.866 7 HE1 MET 1 HE1 MET 1 -34.482 10.600 1.528 8 HE2 MET 1 HE2 MET 1 -32.742 10.636 1.893 9 HE3 MET 1 HE3 MET 1 -33.454 11.880 0.841 10 H ALA 2 H ALA 2 -33.591 10.721 -6.024 11 HA ALA 2 HA ALA 2 -33.261 8.089 -7.389 12 HB1 ALA 2 HB1 ALA 2 -35.266 8.521 -8.747 13 HB2 ALA 2 HB2 ALA 2 -35.685 8.486 -7.027 14 HB3 ALA 2 HB3 ALA 2 -35.555 10.043 -7.876 15 H VAL 3 H VAL 3 -31.772 10.839 -7.091 16 HA VAL 3 HA VAL 3 -31.633 12.013 -9.711 17 HB VAL 3 HB VAL 3 -29.630 13.176 -8.875 18 HG11 VAL 3 HG11 VAL 3 -31.898 13.158 -6.840 19 HG12 VAL 3 HG12 VAL 3 -30.724 14.456 -7.127 20 HG13 VAL 3 HG13 VAL 3 -31.896 14.036 -8.385 21 HG21 VAL 3 HG21 VAL 3 -28.645 11.394 -7.446 22 HG22 VAL 3 HG22 VAL 3 -28.860 12.914 -6.573 23 HG23 VAL 3 HG23 VAL 3 -29.989 11.577 -6.297 24 H SER 4 H SER 4 -30.264 9.087 -8.590 25 HA SER 4 HA SER 4 -28.792 8.686 -11.101 26 HB2 SER 4 HB2 SER 4 -26.716 8.006 -9.971 27 HB3 SER 4 HB3 SER 4 -27.088 9.706 -9.656 28 HG SER 4 HG SER 4 -26.457 8.580 -7.752 29 H VAL 5 H VAL 5 -27.976 6.417 -11.255 30 HA VAL 5 HA VAL 5 -29.607 4.439 -9.710 31 HB VAL 5 HB VAL 5 -30.053 3.191 -11.782 32 HG11 VAL 5 HG11 VAL 5 -31.726 4.771 -10.873 33 HG12 VAL 5 HG12 VAL 5 -31.093 6.042 -11.941 34 HG13 VAL 5 HG13 VAL 5 -31.830 4.585 -12.631 35 HG21 VAL 5 HG21 VAL 5 -29.000 5.636 -13.275 36 HG22 VAL 5 HG22 VAL 5 -28.196 4.051 -13.205 37 HG23 VAL 5 HG23 VAL 5 -29.776 4.207 -13.979 38 H THR 6 H THR 6 -26.514 5.293 -10.294 39 HA THR 6 HA THR 6 -25.501 2.586 -9.696 40 HB THR 6 HB THR 6 -23.572 2.927 -11.281 41 HG1 THR 6 HG1 THR 6 -25.287 4.799 -12.520 42 HG21 THR 6 HG21 THR 6 -25.399 1.376 -11.879 43 HG22 THR 6 HG22 THR 6 -26.243 2.700 -12.707 44 HG23 THR 6 HG23 THR 6 -24.659 2.154 -13.289 45 HA PRO 7 HA PRO 7 -22.984 4.941 -6.903 46 HB2 PRO 7 HB2 PRO 7 -20.846 3.305 -6.426 47 HB3 PRO 7 HB3 PRO 7 -22.510 2.891 -5.924 48 HG2 PRO 7 HG2 PRO 7 -21.059 2.001 -8.441 49 HG3 PRO 7 HG3 PRO 7 -21.914 0.978 -7.240 50 HD2 PRO 7 HD2 PRO 7 -23.115 1.796 -9.529 51 HD3 PRO 7 HD3 PRO 7 -24.029 1.701 -7.998 52 H ILE 8 H ILE 8 -20.650 5.740 -6.556 53 HA ILE 8 HA ILE 8 -19.795 7.238 -8.856 54 HB ILE 8 HB ILE 8 -18.026 8.097 -7.391 55 HG12 ILE 8 HG12 ILE 8 -19.051 6.153 -5.267 56 HG13 ILE 8 HG13 ILE 8 -17.531 5.979 -6.147 57 HG21 ILE 8 HG21 ILE 8 -19.481 9.273 -5.868 58 HG22 ILE 8 HG22 ILE 8 -20.362 8.992 -7.369 59 HG23 ILE 8 HG23 ILE 8 -20.705 7.990 -5.942 60 HD11 ILE 8 HD11 ILE 8 -17.066 6.923 -3.986 61 HD12 ILE 8 HD12 ILE 8 -16.760 8.168 -5.213 62 HD13 ILE 8 HD13 ILE 8 -18.240 8.225 -4.222 63 H ARG 9 H ARG 9 -19.063 4.044 -8.133 64 HA ARG 9 HA ARG 9 -16.314 3.727 -8.733 65 HB2 ARG 9 HB2 ARG 9 -18.732 1.913 -9.135 66 HB3 ARG 9 HB3 ARG 9 -17.107 1.383 -9.501 67 HG2 ARG 9 HG2 ARG 9 -18.095 2.273 -6.757 68 HG3 ARG 9 HG3 ARG 9 -17.846 0.612 -7.291 69 HD2 ARG 9 HD2 ARG 9 -15.704 2.731 -6.869 70 HD3 ARG 9 HD3 ARG 9 -15.996 1.283 -5.901 71 HE ARG 9 HE ARG 9 -15.500 0.508 -8.622 72 HH11 ARG 9 HH11 ARG 9 -12.201 0.973 -6.444 73 HH12 ARG 9 HH12 ARG 9 -13.683 1.678 -5.858 74 HH21 ARG 9 HH21 ARG 9 -12.181 -0.147 -8.371 75 HH22 ARG 9 HH22 ARG 9 -13.659 -0.291 -9.311 76 H ASP 10 H ASP 10 -15.181 4.232 -10.450 77 HA ASP 10 HA ASP 10 -16.237 4.764 -13.070 78 HB2 ASP 10 HB2 ASP 10 -14.111 5.668 -12.138 79 HB3 ASP 10 HB3 ASP 10 -13.409 4.051 -12.191 80 H THR 11 H THR 11 -15.138 1.815 -11.497 81 HA THR 11 HA THR 11 -14.923 0.153 -13.861 82 HB THR 11 HB THR 11 -14.840 -1.707 -12.146 83 HG1 THR 11 HG1 THR 11 -15.896 -1.006 -10.433 84 HG21 THR 11 HG21 THR 11 -12.790 -0.612 -12.924 85 HG22 THR 11 HG22 THR 11 -12.946 0.618 -11.646 86 HG23 THR 11 HG23 THR 11 -12.676 -1.090 -11.229 87 H LYS 12 H LYS 12 -17.727 1.501 -12.766 88 HA LYS 12 HA LYS 12 -19.525 -0.598 -12.337 89 HB2 LYS 12 HB2 LYS 12 -21.292 0.917 -13.016 90 HB3 LYS 12 HB3 LYS 12 -20.096 1.716 -12.004 91 HG2 LYS 12 HG2 LYS 12 -19.089 2.759 -14.068 92 HG3 LYS 12 HG3 LYS 12 -20.317 1.951 -15.047 93 HD2 LYS 12 HD2 LYS 12 -20.963 4.253 -14.699 94 HD3 LYS 12 HD3 LYS 12 -22.101 3.193 -13.849 95 HE2 LYS 12 HE2 LYS 12 -20.875 3.613 -11.717 96 HE3 LYS 12 HE3 LYS 12 -19.742 4.661 -12.569 97 HZ1 LYS 12 HZ1 LYS 12 -21.538 6.200 -12.999 98 HZ2 LYS 12 HZ2 LYS 12 -22.670 5.159 -12.414 99 HZ3 LYS 12 HZ3 LYS 12 -21.578 5.808 -11.395 100 H TRP 13 H TRP 13 -18.195 0.311 -15.470 101 HA TRP 13 HA TRP 13 -20.050 -1.396 -16.966 102 HB2 TRP 13 HB2 TRP 13 -19.356 -0.270 -18.699 103 HB3 TRP 13 HB3 TRP 13 -18.477 0.782 -17.629 104 HD1 TRP 13 HD1 TRP 13 -17.983 -2.319 -19.836 105 HE1 TRP 13 HE1 TRP 13 -15.659 -2.288 -20.893 106 HE3 TRP 13 HE3 TRP 13 -16.038 1.763 -17.402 107 HZ2 TRP 13 HZ2 TRP 13 -13.250 -0.729 -20.701 108 HZ3 TRP 13 HZ3 TRP 13 -13.707 2.490 -17.884 109 HH2 TRP 13 HH2 TRP 13 -12.307 1.253 -19.507 110 H LEU 14 H LEU 14 -17.022 -1.855 -15.346 111 HA LEU 14 HA LEU 14 -16.370 -4.384 -16.734 112 HB2 LEU 14 HB2 LEU 14 -14.924 -2.674 -14.664 113 HB3 LEU 14 HB3 LEU 14 -14.251 -4.140 -15.351 114 HG LEU 14 HG LEU 14 -15.011 -1.724 -17.037 115 HD11 LEU 14 HD11 LEU 14 -13.289 -1.101 -15.415 116 HD12 LEU 14 HD12 LEU 14 -12.314 -2.511 -15.889 117 HD13 LEU 14 HD13 LEU 14 -12.626 -1.191 -17.050 118 HD21 LEU 14 HD21 LEU 14 -13.509 -2.748 -18.699 119 HD22 LEU 14 HD22 LEU 14 -13.195 -4.110 -17.614 120 HD23 LEU 14 HD23 LEU 14 -14.821 -3.861 -18.304 121 H THR 15 H THR 15 -17.821 -3.360 -13.743 122 HA THR 15 HA THR 15 -17.036 -5.685 -12.183 123 HB THR 15 HB THR 15 -19.271 -3.817 -11.464 124 HG1 THR 15 HG1 THR 15 -17.318 -2.653 -11.938 125 HG21 THR 15 HG21 THR 15 -19.079 -5.738 -10.005 126 HG22 THR 15 HG22 THR 15 -17.329 -5.499 -9.829 127 HG23 THR 15 HG23 THR 15 -18.465 -4.313 -9.158 128 H LEU 16 H LEU 16 -17.566 -7.262 -13.642 129 HA LEU 16 HA LEU 16 -20.207 -7.958 -14.580 130 HB2 LEU 16 HB2 LEU 16 -17.505 -8.491 -15.180 131 HB3 LEU 16 HB3 LEU 16 -18.060 -10.021 -14.544 132 HG LEU 16 HG LEU 16 -19.371 -8.482 -16.830 133 HD11 LEU 16 HD11 LEU 16 -17.050 -9.285 -17.309 134 HD12 LEU 16 HD12 LEU 16 -17.563 -10.932 -16.917 135 HD13 LEU 16 HD13 LEU 16 -18.284 -10.070 -18.300 136 HD21 LEU 16 HD21 LEU 16 -20.995 -9.990 -15.805 137 HD22 LEU 16 HD22 LEU 16 -20.458 -10.681 -17.333 138 HD23 LEU 16 HD23 LEU 16 -19.816 -11.323 -15.803 139 H GLU 17 H GLU 17 -21.574 -9.644 -13.843 140 HA GLU 17 HA GLU 17 -21.401 -10.421 -11.045 141 HB2 GLU 17 HB2 GLU 17 -23.177 -11.424 -13.302 142 HB3 GLU 17 HB3 GLU 17 -23.353 -11.834 -11.590 143 HG2 GLU 17 HG2 GLU 17 -23.718 -9.442 -11.058 144 HG3 GLU 17 HG3 GLU 17 -23.561 -9.040 -12.776 145 H VAL 18 H VAL 18 -21.122 -12.489 -10.145 146 HA VAL 18 HA VAL 18 -19.372 -14.333 -11.658 147 HB VAL 18 HB VAL 18 -19.083 -15.567 -9.648 148 HG11 VAL 18 HG11 VAL 18 -17.819 -13.456 -9.902 149 HG12 VAL 18 HG12 VAL 18 -19.026 -12.620 -8.891 150 HG13 VAL 18 HG13 VAL 18 -18.049 -13.933 -8.211 151 HG21 VAL 18 HG21 VAL 18 -21.268 -13.879 -8.374 152 HG22 VAL 18 HG22 VAL 18 -21.289 -15.624 -8.656 153 HG23 VAL 18 HG23 VAL 18 -20.152 -14.934 -7.487 154 H CYS 19 H CYS 19 -19.825 -16.636 -11.899 155 HA CYS 19 HA CYS 19 -22.584 -17.151 -12.654 156 HB2 CYS 19 HB2 CYS 19 -20.693 -18.045 -13.947 157 HB3 CYS 19 HB3 CYS 19 -20.171 -18.976 -12.556 158 H ARG 20 H ARG 20 -24.104 -18.232 -11.612 159 HA ARG 20 HA ARG 20 -23.950 -18.640 -8.744 160 HB2 ARG 20 HB2 ARG 20 -26.111 -19.473 -10.729 161 HB3 ARG 20 HB3 ARG 20 -26.246 -19.504 -8.978 162 HG2 ARG 20 HG2 ARG 20 -27.400 -17.581 -9.665 163 HG3 ARG 20 HG3 ARG 20 -25.900 -17.001 -8.930 164 HD2 ARG 20 HD2 ARG 20 -24.976 -16.419 -11.070 165 HD3 ARG 20 HD3 ARG 20 -26.195 -17.365 -11.938 166 HE ARG 20 HE ARG 20 -27.888 -15.720 -11.167 167 HH11 ARG 20 HH11 ARG 20 -25.172 -12.865 -11.476 168 HH12 ARG 20 HH12 ARG 20 -24.522 -14.501 -11.305 169 HH21 ARG 20 HH21 ARG 20 -27.097 -12.395 -11.535 170 HH22 ARG 20 HH22 ARG 20 -28.416 -13.560 -11.403 171 H GLU 21 H GLU 21 -23.501 -20.786 -11.483 172 HA GLU 21 HA GLU 21 -23.790 -23.222 -9.837 173 HB2 GLU 21 HB2 GLU 21 -22.751 -22.852 -12.665 174 HB3 GLU 21 HB3 GLU 21 -23.077 -24.393 -11.850 175 HG2 GLU 21 HG2 GLU 21 -25.483 -23.689 -11.631 176 HG3 GLU 21 HG3 GLU 21 -25.120 -22.297 -12.659 177 H PHE 22 H PHE 22 -21.220 -21.171 -11.224 178 HA PHE 22 HA PHE 22 -18.962 -22.755 -10.414 179 HB2 PHE 22 HB2 PHE 22 -19.032 -20.925 -12.105 180 HB3 PHE 22 HB3 PHE 22 -19.228 -19.760 -10.813 181 HD1 PHE 22 HD1 PHE 22 -17.325 -19.000 -9.517 182 HD2 PHE 22 HD2 PHE 22 -16.911 -22.186 -12.395 183 HE1 PHE 22 HE1 PHE 22 -14.856 -18.808 -9.380 184 HE2 PHE 22 HE2 PHE 22 -14.436 -22.006 -12.236 185 HZ PHE 22 HZ PHE 22 -13.406 -20.315 -10.729 186 H GLN 23 H GLN 23 -20.961 -20.319 -8.806 187 HA GLN 23 HA GLN 23 -19.412 -20.017 -6.393 188 HB2 GLN 23 HB2 GLN 23 -22.332 -19.590 -7.125 189 HB3 GLN 23 HB3 GLN 23 -21.806 -19.380 -5.467 190 HG2 GLN 23 HG2 GLN 23 -20.508 -17.873 -7.765 191 HG3 GLN 23 HG3 GLN 23 -21.933 -17.290 -6.905 192 HE21 GLN 23 HE21 GLN 23 -21.661 -16.505 -4.703 193 HE22 GLN 23 HE22 GLN 23 -20.052 -16.265 -4.039 194 H ARG 24 H ARG 24 -21.175 -22.668 -7.549 195 HA ARG 24 HA ARG 24 -21.289 -24.010 -4.878 196 HB2 ARG 24 HB2 ARG 24 -23.097 -24.237 -7.320 197 HB3 ARG 24 HB3 ARG 24 -23.189 -25.321 -5.925 198 HG2 ARG 24 HG2 ARG 24 -23.793 -23.513 -4.444 199 HG3 ARG 24 HG3 ARG 24 -23.508 -22.295 -5.700 200 HD2 ARG 24 HD2 ARG 24 -25.328 -23.188 -7.063 201 HD3 ARG 24 HD3 ARG 24 -25.586 -24.493 -5.899 202 HE ARG 24 HE ARG 24 -26.747 -23.062 -4.514 203 HH11 ARG 24 HH11 ARG 24 -25.921 -19.576 -6.264 204 HH12 ARG 24 HH12 ARG 24 -25.115 -21.003 -6.871 205 HH21 ARG 24 HH21 ARG 24 -27.374 -19.694 -4.634 206 HH22 ARG 24 HH22 ARG 24 -27.734 -21.204 -3.856 207 H GLY 25 H GLY 25 -19.280 -23.847 -7.336 208 HA2 GLY 25 HA2 GLY 25 -17.731 -25.192 -8.330 209 HA3 GLY 25 HA3 GLY 25 -17.960 -26.298 -6.968 210 H THR 26 H THR 26 -20.440 -25.457 -9.398 211 HA THR 26 HA THR 26 -20.270 -28.220 -10.535 212 HB THR 26 HB THR 26 -21.839 -28.036 -8.608 213 HG1 THR 26 HG1 THR 26 -23.422 -29.233 -9.599 214 HG21 THR 26 HG21 THR 26 -24.048 -27.060 -8.918 215 HG22 THR 26 HG22 THR 26 -22.802 -25.814 -9.028 216 HG23 THR 26 HG23 THR 26 -23.581 -26.419 -10.509 217 H CYS 27 H CYS 27 -20.011 -25.118 -11.524 218 HA CYS 27 HA CYS 27 -21.833 -24.915 -13.689 219 HB2 CYS 27 HB2 CYS 27 -20.400 -23.054 -12.779 220 HB3 CYS 27 HB3 CYS 27 -19.006 -23.773 -13.590 221 H SER 28 H SER 28 -21.959 -25.862 -15.615 222 HA SER 28 HA SER 28 -20.181 -28.073 -16.333 223 HB2 SER 28 HB2 SER 28 -21.906 -28.507 -18.052 224 HB3 SER 28 HB3 SER 28 -22.592 -28.349 -16.431 225 HG SER 28 HG SER 28 -23.793 -27.184 -18.000 226 H ARG 29 H ARG 29 -19.700 -24.891 -16.853 227 HA ARG 29 HA ARG 29 -18.692 -25.171 -19.675 228 HB2 ARG 29 HB2 ARG 29 -19.960 -22.824 -18.234 229 HB3 ARG 29 HB3 ARG 29 -19.358 -22.787 -19.876 230 HG2 ARG 29 HG2 ARG 29 -21.063 -24.315 -20.656 231 HG3 ARG 29 HG3 ARG 29 -21.625 -24.646 -19.013 232 HD2 ARG 29 HD2 ARG 29 -21.719 -21.951 -20.386 233 HD3 ARG 29 HD3 ARG 29 -23.094 -23.047 -20.202 234 HE ARG 29 HE ARG 29 -21.915 -21.307 -18.118 235 HH11 ARG 29 HH11 ARG 29 -23.792 -22.366 -15.573 236 HH12 ARG 29 HH12 ARG 29 -22.598 -21.229 -16.152 237 HH21 ARG 29 HH21 ARG 29 -24.400 -23.932 -16.622 238 HH22 ARG 29 HH22 ARG 29 -23.751 -24.352 -18.206 239 HA PRO 30 HA PRO 30 -14.878 -23.314 -18.017 240 HB2 PRO 30 HB2 PRO 30 -13.677 -22.543 -20.342 241 HB3 PRO 30 HB3 PRO 30 -13.817 -24.266 -19.878 242 HG2 PRO 30 HG2 PRO 30 -15.638 -22.688 -21.726 243 HG3 PRO 30 HG3 PRO 30 -14.859 -24.273 -22.040 244 HD2 PRO 30 HD2 PRO 30 -17.426 -24.098 -21.148 245 HD3 PRO 30 HD3 PRO 30 -16.337 -25.387 -20.574 246 H ASP 31 H ASP 31 -13.876 -21.078 -18.090 247 HA ASP 31 HA ASP 31 -15.742 -18.968 -17.750 248 HB2 ASP 31 HB2 ASP 31 -13.832 -17.518 -17.634 249 HB3 ASP 31 HB3 ASP 31 -13.455 -19.026 -16.799 250 H THR 32 H THR 32 -14.167 -20.083 -20.637 251 HA THR 32 HA THR 32 -14.686 -17.787 -22.304 252 HB THR 32 HB THR 32 -14.080 -19.375 -24.179 253 HG1 THR 32 HG1 THR 32 -13.262 -21.375 -23.538 254 HG21 THR 32 HG21 THR 32 -12.115 -19.317 -21.849 255 HG22 THR 32 HG22 THR 32 -11.731 -19.540 -23.570 256 HG23 THR 32 HG23 THR 32 -12.374 -17.990 -23.003 257 H GLU 33 H GLU 33 -16.813 -20.268 -21.259 258 HA GLU 33 HA GLU 33 -18.656 -19.896 -23.620 259 HB2 GLU 33 HB2 GLU 33 -18.123 -22.134 -21.659 260 HB3 GLU 33 HB3 GLU 33 -19.647 -22.089 -22.501 261 HG2 GLU 33 HG2 GLU 33 -16.922 -22.262 -23.826 262 HG3 GLU 33 HG3 GLU 33 -18.054 -23.589 -23.534 263 H CYS 34 H CYS 34 -18.510 -19.734 -20.055 264 HA CYS 34 HA CYS 34 -21.295 -19.881 -19.679 265 HB2 CYS 34 HB2 CYS 34 -19.380 -20.299 -18.059 266 HB3 CYS 34 HB3 CYS 34 -19.394 -18.557 -17.737 267 H LYS 35 H LYS 35 -22.519 -18.318 -18.458 268 HA LYS 35 HA LYS 35 -23.024 -15.871 -20.094 269 HB2 LYS 35 HB2 LYS 35 -24.640 -17.264 -17.897 270 HB3 LYS 35 HB3 LYS 35 -25.128 -15.786 -18.697 271 HG2 LYS 35 HG2 LYS 35 -26.362 -17.476 -19.730 272 HG3 LYS 35 HG3 LYS 35 -25.165 -16.946 -20.893 273 HD2 LYS 35 HD2 LYS 35 -25.535 -19.388 -20.940 274 HD3 LYS 35 HD3 LYS 35 -23.870 -18.980 -20.595 275 HE2 LYS 35 HE2 LYS 35 -24.509 -20.821 -19.193 276 HE3 LYS 35 HE3 LYS 35 -24.263 -19.413 -18.161 277 HZ1 LYS 35 HZ1 LYS 35 -26.697 -19.133 -18.107 278 HZ2 LYS 35 HZ2 LYS 35 -26.906 -20.437 -19.072 279 HZ3 LYS 35 HZ3 LYS 35 -26.285 -20.619 -17.574 280 H PHE 36 H PHE 36 -21.480 -16.650 -17.190 281 HA PHE 36 HA PHE 36 -21.355 -13.805 -16.318 282 HB2 PHE 36 HB2 PHE 36 -21.771 -16.175 -14.495 283 HB3 PHE 36 HB3 PHE 36 -21.673 -14.491 -14.004 284 HD1 PHE 36 HD1 PHE 36 -23.488 -12.872 -15.058 285 HD2 PHE 36 HD2 PHE 36 -23.901 -17.147 -14.695 286 HE1 PHE 36 HE1 PHE 36 -25.963 -12.636 -15.103 287 HE2 PHE 36 HE2 PHE 36 -26.374 -16.912 -14.752 288 HZ PHE 36 HZ PHE 36 -27.408 -14.657 -14.951 289 H ALA 37 H ALA 37 -19.550 -13.723 -14.456 290 HA ALA 37 HA ALA 37 -17.132 -14.718 -15.776 291 HB1 ALA 37 HB1 ALA 37 -16.028 -13.240 -14.144 292 HB2 ALA 37 HB2 ALA 37 -17.320 -12.405 -15.025 293 HB3 ALA 37 HB3 ALA 37 -17.601 -12.948 -13.358 294 H HIS 38 H HIS 38 -15.474 -15.889 -14.833 295 HA HIS 38 HA HIS 38 -16.112 -17.605 -12.473 296 HB2 HIS 38 HB2 HIS 38 -14.775 -18.334 -15.109 297 HB3 HIS 38 HB3 HIS 38 -14.708 -19.342 -13.665 298 HD1 HIS 38 HD1 HIS 38 -16.007 -20.628 -16.145 299 HD2 HIS 38 HD2 HIS 38 -18.088 -18.410 -13.244 300 HE1 HIS 38 HE1 HIS 38 -18.459 -21.312 -16.320 301 HA PRO 39 HA PRO 39 -12.298 -15.142 -11.522 302 HB2 PRO 39 HB2 PRO 39 -12.566 -15.252 -8.748 303 HB3 PRO 39 HB3 PRO 39 -13.280 -14.017 -9.810 304 HG2 PRO 39 HG2 PRO 39 -14.547 -16.528 -8.695 305 HG3 PRO 39 HG3 PRO 39 -15.249 -14.885 -8.760 306 HD2 PRO 39 HD2 PRO 39 -15.908 -16.767 -10.577 307 HD3 PRO 39 HD3 PRO 39 -15.683 -15.070 -11.087 308 H SER 40 H SER 40 -10.262 -15.739 -10.934 309 HA SER 40 HA SER 40 -9.668 -18.578 -10.430 310 HB2 SER 40 HB2 SER 40 -7.387 -17.958 -10.816 311 HB3 SER 40 HB3 SER 40 -8.352 -17.091 -12.033 312 HG SER 40 HG SER 40 -6.770 -15.768 -10.926 313 H LYS 41 H LYS 41 -7.573 -18.710 -8.926 314 HA LYS 41 HA LYS 41 -8.297 -18.339 -6.168 315 HB2 LYS 41 HB2 LYS 41 -5.661 -18.917 -7.591 316 HB3 LYS 41 HB3 LYS 41 -5.857 -19.003 -5.837 317 HG2 LYS 41 HG2 LYS 41 -7.317 -20.754 -7.867 318 HG3 LYS 41 HG3 LYS 41 -5.916 -21.217 -6.902 319 HD2 LYS 41 HD2 LYS 41 -7.255 -20.854 -4.814 320 HD3 LYS 41 HD3 LYS 41 -8.683 -20.515 -5.821 321 HE2 LYS 41 HE2 LYS 41 -8.485 -22.754 -6.866 322 HE3 LYS 41 HE3 LYS 41 -7.060 -23.097 -5.876 323 HZ1 LYS 41 HZ1 LYS 41 -9.067 -24.043 -4.891 324 HZ2 LYS 41 HZ2 LYS 41 -8.470 -22.897 -3.896 325 HZ3 LYS 41 HZ3 LYS 41 -9.789 -22.582 -4.810 326 H SER 42 H SER 42 -6.831 -16.104 -8.414 327 HA SER 42 HA SER 42 -5.934 -14.335 -6.177 328 HB2 SER 42 HB2 SER 42 -4.526 -13.216 -7.855 329 HB3 SER 42 HB3 SER 42 -4.145 -14.929 -7.648 330 HG SER 42 HG SER 42 -5.296 -13.607 -9.843 331 H CYS 43 H CYS 43 -8.386 -14.514 -8.671 332 HA CYS 43 HA CYS 43 -8.751 -11.746 -9.131 333 HB2 CYS 43 HB2 CYS 43 -10.682 -14.074 -9.279 334 HB3 CYS 43 HB3 CYS 43 -11.055 -12.439 -9.851 335 HG CYS 43 HG CYS 43 -8.425 -14.283 -10.747 336 H GLN 44 H GLN 44 -9.934 -10.154 -8.251 337 HA GLN 44 HA GLN 44 -10.726 -10.340 -5.445 338 HB2 GLN 44 HB2 GLN 44 -9.494 -8.401 -6.683 339 HB3 GLN 44 HB3 GLN 44 -11.063 -7.997 -7.363 340 HG2 GLN 44 HG2 GLN 44 -10.757 -6.583 -5.482 341 HG3 GLN 44 HG3 GLN 44 -11.932 -7.789 -4.964 342 HE21 GLN 44 HE21 GLN 44 -11.484 -8.568 -2.870 343 HE22 GLN 44 HE22 GLN 44 -9.863 -8.649 -2.197 344 H VAL 45 H VAL 45 -12.758 -10.594 -4.685 345 HA VAL 45 HA VAL 45 -15.116 -10.416 -6.532 346 HB VAL 45 HB VAL 45 -14.852 -12.374 -4.238 347 HG11 VAL 45 HG11 VAL 45 -16.686 -13.563 -5.398 348 HG12 VAL 45 HG12 VAL 45 -17.152 -11.920 -4.965 349 HG13 VAL 45 HG13 VAL 45 -16.714 -12.299 -6.643 350 HG21 VAL 45 HG21 VAL 45 -14.261 -13.053 -7.137 351 HG22 VAL 45 HG22 VAL 45 -13.101 -13.064 -5.795 352 HG23 VAL 45 HG23 VAL 45 -14.443 -14.203 -5.806 353 H GLU 46 H GLU 46 -16.884 -9.355 -5.749 354 HA GLU 46 HA GLU 46 -17.180 -8.738 -2.860 355 HB2 GLU 46 HB2 GLU 46 -17.016 -6.599 -5.030 356 HB3 GLU 46 HB3 GLU 46 -17.655 -6.344 -3.405 357 HG2 GLU 46 HG2 GLU 46 -15.422 -7.041 -2.468 358 HG3 GLU 46 HG3 GLU 46 -14.790 -7.072 -4.121 359 H ASN 47 H ASN 47 -19.235 -8.876 -2.260 360 HA ASN 47 HA ASN 47 -21.420 -9.465 -2.338 361 HB2 ASN 47 HB2 ASN 47 -21.121 -6.932 -2.208 362 HB3 ASN 47 HB3 ASN 47 -21.582 -6.887 -3.914 363 HD21 ASN 47 HD21 ASN 47 -23.488 -5.642 -3.466 364 HD22 ASN 47 HD22 ASN 47 -24.860 -6.365 -2.641 365 H GLY 48 H GLY 48 -20.310 -10.977 -4.442 366 HA2 GLY 48 HA2 GLY 48 -21.373 -12.489 -5.908 367 HA3 GLY 48 HA3 GLY 48 -22.747 -11.394 -6.063 368 H ARG 49 H ARG 49 -19.760 -9.793 -6.582 369 HA ARG 49 HA ARG 49 -19.751 -10.247 -9.523 370 HB2 ARG 49 HB2 ARG 49 -19.637 -7.473 -8.261 371 HB3 ARG 49 HB3 ARG 49 -19.648 -7.901 -9.971 372 HG2 ARG 49 HG2 ARG 49 -21.964 -8.938 -9.552 373 HG3 ARG 49 HG3 ARG 49 -21.953 -8.095 -8.002 374 HD2 ARG 49 HD2 ARG 49 -21.533 -6.768 -10.714 375 HD3 ARG 49 HD3 ARG 49 -23.108 -6.906 -9.923 376 HE ARG 49 HE ARG 49 -21.717 -5.675 -7.975 377 HH11 ARG 49 HH11 ARG 49 -21.659 -2.399 -9.031 378 HH12 ARG 49 HH12 ARG 49 -21.643 -3.472 -7.664 379 HH21 ARG 49 HH21 ARG 49 -21.833 -3.171 -11.089 380 HH22 ARG 49 HH22 ARG 49 -21.751 -4.885 -11.391 381 H VAL 50 H VAL 50 -17.935 -9.359 -10.568 382 HA VAL 50 HA VAL 50 -15.375 -9.167 -9.038 383 HB VAL 50 HB VAL 50 -14.354 -10.624 -10.801 384 HG11 VAL 50 HG11 VAL 50 -16.348 -11.893 -8.912 385 HG12 VAL 50 HG12 VAL 50 -15.066 -12.763 -9.764 386 HG13 VAL 50 HG13 VAL 50 -14.647 -11.495 -8.608 387 HG21 VAL 50 HG21 VAL 50 -17.212 -11.550 -11.362 388 HG22 VAL 50 HG22 VAL 50 -16.161 -10.685 -12.503 389 HG23 VAL 50 HG23 VAL 50 -15.728 -12.309 -11.941 390 H ILE 51 H ILE 51 -13.747 -7.940 -10.199 391 HA ILE 51 HA ILE 51 -14.937 -6.170 -12.289 392 HB ILE 51 HB ILE 51 -12.452 -5.790 -10.595 393 HG12 ILE 51 HG12 ILE 51 -15.269 -4.685 -10.410 394 HG13 ILE 51 HG13 ILE 51 -14.461 -5.739 -9.246 395 HG21 ILE 51 HG21 ILE 51 -12.478 -3.484 -11.491 396 HG22 ILE 51 HG22 ILE 51 -12.339 -4.610 -12.815 397 HG23 ILE 51 HG23 ILE 51 -13.912 -3.861 -12.475 398 HD11 ILE 51 HD11 ILE 51 -14.550 -3.544 -8.337 399 HD12 ILE 51 HD12 ILE 51 -12.852 -3.895 -8.741 400 HD13 ILE 51 HD13 ILE 51 -13.832 -2.825 -9.780 401 H ALA 52 H ALA 52 -14.364 -6.238 -14.355 402 HA ALA 52 HA ALA 52 -12.461 -8.192 -15.338 403 HB1 ALA 52 HB1 ALA 52 -13.148 -7.314 -17.554 404 HB2 ALA 52 HB2 ALA 52 -14.532 -7.760 -16.537 405 HB3 ALA 52 HB3 ALA 52 -14.101 -6.053 -16.747 406 H CYS 53 H CYS 53 -10.525 -7.858 -16.414 407 HA CYS 53 HA CYS 53 -8.872 -5.807 -15.335 408 HB2 CYS 53 HB2 CYS 53 -8.222 -8.160 -15.807 409 HB3 CYS 53 HB3 CYS 53 -8.212 -7.790 -17.534 410 H PHE 54 H PHE 54 -9.271 -3.805 -15.874 411 HA PHE 54 HA PHE 54 -9.850 -2.770 -18.490 412 HB2 PHE 54 HB2 PHE 54 -9.183 -0.587 -17.535 413 HB3 PHE 54 HB3 PHE 54 -10.375 -1.429 -16.571 414 HD1 PHE 54 HD1 PHE 54 -9.848 -2.287 -14.322 415 HD2 PHE 54 HD2 PHE 54 -6.889 -0.236 -16.705 416 HE1 PHE 54 HE1 PHE 54 -8.387 -2.070 -12.329 417 HE2 PHE 54 HE2 PHE 54 -5.416 -0.053 -14.731 418 HZ PHE 54 HZ PHE 54 -6.166 -0.954 -12.522 419 H ASP 55 H ASP 55 -6.778 -3.343 -16.750 420 HA ASP 55 HA ASP 55 -5.044 -2.108 -18.670 421 HB2 ASP 55 HB2 ASP 55 -4.553 -4.407 -16.747 422 HB3 ASP 55 HB3 ASP 55 -3.309 -3.658 -17.735 423 H SER 56 H SER 56 -6.357 -5.491 -18.501 424 HA SER 56 HA SER 56 -4.909 -6.411 -20.802 425 HB2 SER 56 HB2 SER 56 -5.890 -7.934 -19.188 426 HB3 SER 56 HB3 SER 56 -7.525 -7.405 -19.613 427 HG SER 56 HG SER 56 -6.738 -9.376 -20.670 428 H LEU 57 H LEU 57 -8.138 -4.882 -20.488 429 HA LEU 57 HA LEU 57 -8.839 -5.042 -23.284 430 HB2 LEU 57 HB2 LEU 57 -9.753 -3.363 -20.928 431 HB3 LEU 57 HB3 LEU 57 -10.380 -3.042 -22.541 432 HG LEU 57 HG LEU 57 -10.530 -5.799 -21.281 433 HD11 LEU 57 HD11 LEU 57 -12.870 -5.240 -20.682 434 HD12 LEU 57 HD12 LEU 57 -11.710 -4.216 -19.825 435 HD13 LEU 57 HD13 LEU 57 -12.604 -3.566 -21.217 436 HD21 LEU 57 HD21 LEU 57 -10.876 -5.755 -23.725 437 HD22 LEU 57 HD22 LEU 57 -12.399 -6.097 -22.898 438 HD23 LEU 57 HD23 LEU 57 -12.092 -4.472 -23.543 439 H LYS 58 H LYS 58 -7.190 -2.484 -21.401 440 HA LYS 58 HA LYS 58 -6.944 -0.681 -23.701 441 HB2 LYS 58 HB2 LYS 58 -5.713 -0.651 -20.912 442 HB3 LYS 58 HB3 LYS 58 -5.514 0.641 -22.080 443 HG2 LYS 58 HG2 LYS 58 -8.165 -0.253 -20.867 444 HG3 LYS 58 HG3 LYS 58 -7.234 1.158 -20.397 445 HD2 LYS 58 HD2 LYS 58 -8.638 0.710 -23.063 446 HD3 LYS 58 HD3 LYS 58 -9.157 1.769 -21.748 447 HE2 LYS 58 HE2 LYS 58 -7.070 3.117 -22.017 448 HE3 LYS 58 HE3 LYS 58 -6.584 2.084 -23.368 449 HZ1 LYS 58 HZ1 LYS 58 -7.685 4.098 -24.151 450 HZ2 LYS 58 HZ2 LYS 58 -8.593 2.804 -24.552 451 HZ3 LYS 58 HZ3 LYS 58 -9.037 3.762 -23.304 452 H GLY 59 H GLY 59 -5.143 -3.414 -22.767 453 HA2 GLY 59 HA2 GLY 59 -3.377 -4.391 -23.935 454 HA3 GLY 59 HA3 GLY 59 -3.142 -2.910 -24.865 455 H ARG 60 H ARG 60 -3.147 -3.308 -21.330 456 HA ARG 60 HA ARG 60 -0.268 -2.484 -21.166 457 HB2 ARG 60 HB2 ARG 60 -1.845 -0.650 -20.634 458 HB3 ARG 60 HB3 ARG 60 -2.648 -1.652 -19.430 459 HG2 ARG 60 HG2 ARG 60 -1.175 0.013 -18.409 460 HG3 ARG 60 HG3 ARG 60 -0.697 -1.626 -17.994 461 HD2 ARG 60 HD2 ARG 60 1.088 -1.464 -19.835 462 HD3 ARG 60 HD3 ARG 60 0.623 0.223 -20.030 463 HE ARG 60 HE ARG 60 1.743 0.755 -18.067 464 HH11 ARG 60 HH11 ARG 60 2.593 -2.948 -16.832 465 HH12 ARG 60 HH12 ARG 60 1.443 -2.759 -18.133 466 HH21 ARG 60 HH21 ARG 60 3.513 -1.207 -15.868 467 HH22 ARG 60 HH22 ARG 60 3.161 0.410 -16.399 468 H CYS 61 H CYS 61 -2.649 -4.779 -19.954 469 HA CYS 61 HA CYS 61 -1.326 -5.411 -17.542 470 HB2 CYS 61 HB2 CYS 61 -3.698 -5.987 -18.229 471 HB3 CYS 61 HB3 CYS 61 -3.043 -7.354 -19.125 472 H SER 62 H SER 62 0.272 -6.612 -16.984 473 HA SER 62 HA SER 62 1.603 -8.602 -18.754 474 HB2 SER 62 HB2 SER 62 3.078 -6.327 -17.356 475 HB3 SER 62 HB3 SER 62 3.821 -7.644 -18.274 476 HG SER 62 HG SER 62 2.065 -5.648 -19.301 477 H ARG 63 H ARG 63 0.047 -8.305 -16.018 478 HA ARG 63 HA ARG 63 1.873 -9.208 -13.945 479 HB2 ARG 63 HB2 ARG 63 -1.164 -9.073 -14.198 480 HB3 ARG 63 HB3 ARG 63 -0.342 -9.596 -12.726 481 HG2 ARG 63 HG2 ARG 63 0.780 -7.428 -12.520 482 HG3 ARG 63 HG3 ARG 63 0.009 -6.845 -14.002 483 HD2 ARG 63 HD2 ARG 63 -1.540 -7.826 -11.566 484 HD3 ARG 63 HD3 ARG 63 -1.082 -6.142 -11.801 485 HE ARG 63 HE ARG 63 -3.063 -7.688 -13.456 486 HH11 ARG 63 HH11 ARG 63 -4.381 -4.927 -14.824 487 HH12 ARG 63 HH12 ARG 63 -4.391 -6.674 -14.742 488 HH21 ARG 63 HH21 ARG 63 -2.965 -3.767 -13.853 489 HH22 ARG 63 HH22 ARG 63 -1.684 -4.464 -12.852 490 H GLU 64 H GLU 64 1.822 -11.120 -12.817 491 HA GLU 64 HA GLU 64 0.987 -13.600 -14.290 492 HB2 GLU 64 HB2 GLU 64 3.264 -13.081 -12.341 493 HB3 GLU 64 HB3 GLU 64 2.818 -14.684 -12.907 494 HG2 GLU 64 HG2 GLU 64 3.716 -12.426 -14.749 495 HG3 GLU 64 HG3 GLU 64 4.780 -13.651 -14.078 496 H ASN 65 H ASN 65 0.064 -11.684 -11.801 497 HA ASN 65 HA ASN 65 -1.455 -13.802 -10.378 498 HB2 ASN 65 HB2 ASN 65 0.432 -11.727 -9.175 499 HB3 ASN 65 HB3 ASN 65 -0.728 -12.652 -8.215 500 HD21 ASN 65 HD21 ASN 65 -0.471 -15.053 -8.155 501 HD22 ASN 65 HD22 ASN 65 1.160 -15.683 -8.328 502 H CYS 66 H CYS 66 -2.222 -11.816 -12.384 503 HA CYS 66 HA CYS 66 -3.256 -9.423 -11.489 504 HB2 CYS 66 HB2 CYS 66 -2.949 -10.394 -13.841 505 HB3 CYS 66 HB3 CYS 66 -4.489 -11.223 -13.615 506 H LYS 67 H LYS 67 -4.985 -8.737 -10.422 507 HA LYS 67 HA LYS 67 -6.740 -10.695 -9.064 508 HB2 LYS 67 HB2 LYS 67 -6.744 -7.688 -8.662 509 HB3 LYS 67 HB3 LYS 67 -7.364 -8.956 -7.595 510 HG2 LYS 67 HG2 LYS 67 -4.869 -9.775 -7.544 511 HG3 LYS 67 HG3 LYS 67 -4.514 -8.137 -8.129 512 HD2 LYS 67 HD2 LYS 67 -6.052 -8.896 -5.592 513 HD3 LYS 67 HD3 LYS 67 -4.383 -8.312 -5.635 514 HE2 LYS 67 HE2 LYS 67 -5.069 -6.120 -6.376 515 HE3 LYS 67 HE3 LYS 67 -6.720 -6.668 -6.697 516 HZ1 LYS 67 HZ1 LYS 67 -6.543 -5.476 -4.575 517 HZ2 LYS 67 HZ2 LYS 67 -7.066 -7.008 -4.353 518 HZ3 LYS 67 HZ3 LYS 67 -5.515 -6.602 -3.987 519 H TYR 68 H TYR 68 -6.946 -9.302 -11.962 520 HA TYR 68 HA TYR 68 -9.894 -8.779 -11.785 521 HB2 TYR 68 HB2 TYR 68 -7.814 -7.490 -13.563 522 HB3 TYR 68 HB3 TYR 68 -9.540 -7.155 -13.552 523 HD1 TYR 68 HD1 TYR 68 -10.592 -5.888 -11.742 524 HD2 TYR 68 HD2 TYR 68 -6.354 -6.686 -11.710 525 HE1 TYR 68 HE1 TYR 68 -10.279 -4.160 -9.969 526 HE2 TYR 68 HE2 TYR 68 -6.041 -4.958 -9.951 527 HH TYR 68 HH TYR 68 -7.052 -3.393 -8.611 528 H LEU 69 H LEU 69 -11.230 -9.389 -13.430 529 HA LEU 69 HA LEU 69 -10.575 -11.942 -14.630 530 HB2 LEU 69 HB2 LEU 69 -12.996 -10.135 -14.512 531 HB3 LEU 69 HB3 LEU 69 -12.952 -11.366 -15.754 532 HG LEU 69 HG LEU 69 -14.168 -12.006 -13.711 533 HD11 LEU 69 HD11 LEU 69 -11.748 -13.769 -14.287 534 HD12 LEU 69 HD12 LEU 69 -13.291 -14.274 -13.570 535 HD13 LEU 69 HD13 LEU 69 -13.239 -13.712 -15.248 536 HD21 LEU 69 HD21 LEU 69 -13.029 -12.617 -11.676 537 HD22 LEU 69 HD22 LEU 69 -11.453 -12.230 -12.389 538 HD23 LEU 69 HD23 LEU 69 -12.601 -10.933 -12.064 539 H HIS 70 H HIS 70 -9.405 -12.209 -16.426 540 HA HIS 70 HA HIS 70 -9.112 -10.130 -18.448 541 HB2 HIS 70 HB2 HIS 70 -8.205 -12.987 -18.260 542 HB3 HIS 70 HB3 HIS 70 -8.063 -12.071 -19.754 543 HD1 HIS 70 HD1 HIS 70 -5.358 -12.125 -19.558 544 HD2 HIS 70 HD2 HIS 70 -7.457 -10.020 -16.583 545 HE1 HIS 70 HE1 HIS 70 -3.692 -10.515 -18.484 546 HA PRO 71 HA PRO 71 -13.261 -10.828 -19.936 547 HB2 PRO 71 HB2 PRO 71 -12.031 -9.513 -22.367 548 HB3 PRO 71 HB3 PRO 71 -13.668 -9.292 -21.676 549 HG2 PRO 71 HG2 PRO 71 -11.755 -7.550 -21.062 550 HG3 PRO 71 HG3 PRO 71 -12.720 -8.227 -19.711 551 HD2 PRO 71 HD2 PRO 71 -9.973 -9.096 -20.677 552 HD3 PRO 71 HD3 PRO 71 -10.532 -8.765 -19.019 553 HA PRO 72 HA PRO 72 -12.626 -14.524 -22.535 554 HB2 PRO 72 HB2 PRO 72 -15.035 -15.747 -22.076 555 HB3 PRO 72 HB3 PRO 72 -13.682 -15.790 -20.896 556 HG2 PRO 72 HG2 PRO 72 -16.131 -14.044 -20.939 557 HG3 PRO 72 HG3 PRO 72 -15.377 -14.858 -19.536 558 HD2 PRO 72 HD2 PRO 72 -14.980 -12.192 -20.169 559 HD3 PRO 72 HD3 PRO 72 -13.776 -13.187 -19.302 560 HA PRO 73 HA PRO 73 -14.441 -13.019 -26.312 561 HB2 PRO 73 HB2 PRO 73 -15.174 -15.907 -26.843 562 HB3 PRO 73 HB3 PRO 73 -14.452 -14.704 -27.959 563 HG2 PRO 73 HG2 PRO 73 -12.876 -16.536 -26.746 564 HG3 PRO 73 HG3 PRO 73 -12.343 -14.826 -26.842 565 HD2 PRO 73 HD2 PRO 73 -13.552 -16.291 -24.494 566 HD3 PRO 73 HD3 PRO 73 -12.208 -15.106 -24.538 567 H HIS 74 H HIS 74 -16.525 -15.406 -24.628 568 HA HIS 74 HA HIS 74 -18.972 -14.507 -25.855 569 HB2 HIS 74 HB2 HIS 74 -18.507 -16.794 -24.874 570 HB3 HIS 74 HB3 HIS 74 -18.583 -16.084 -23.263 571 HD1 HIS 74 HD1 HIS 74 -20.907 -16.639 -22.237 572 HD2 HIS 74 HD2 HIS 74 -20.953 -16.012 -26.418 573 HE1 HIS 74 HE1 HIS 74 -23.353 -16.930 -22.996 574 HE2 HIS 74 HE2 HIS 74 -23.372 -16.546 -25.544 575 H LEU 75 H LEU 75 -17.189 -13.067 -23.284 576 HA LEU 75 HA LEU 75 -19.577 -11.404 -22.537 577 HB2 LEU 75 HB2 LEU 75 -17.101 -11.977 -20.897 578 HB3 LEU 75 HB3 LEU 75 -18.420 -10.926 -20.429 579 HG LEU 75 HG LEU 75 -18.681 -13.932 -20.894 580 HD11 LEU 75 HD11 LEU 75 -18.855 -14.156 -18.529 581 HD12 LEU 75 HD12 LEU 75 -17.384 -13.220 -18.836 582 HD13 LEU 75 HD13 LEU 75 -18.860 -12.402 -18.279 583 HD21 LEU 75 HD21 LEU 75 -20.685 -11.865 -19.878 584 HD22 LEU 75 HD22 LEU 75 -20.811 -12.819 -21.373 585 HD23 LEU 75 HD23 LEU 75 -20.910 -13.629 -19.809 586 H LYS 76 H LYS 76 -16.456 -11.262 -24.076 587 HA LYS 76 HA LYS 76 -15.820 -8.511 -23.676 588 HB2 LYS 76 HB2 LYS 76 -15.354 -10.441 -25.971 589 HB3 LYS 76 HB3 LYS 76 -14.905 -8.733 -26.108 590 HG2 LYS 76 HG2 LYS 76 -13.484 -8.857 -24.139 591 HG3 LYS 76 HG3 LYS 76 -13.988 -10.523 -23.828 592 HD2 LYS 76 HD2 LYS 76 -11.782 -10.522 -24.821 593 HD3 LYS 76 HD3 LYS 76 -12.930 -11.256 -25.945 594 HE2 LYS 76 HE2 LYS 76 -13.042 -9.125 -27.224 595 HE3 LYS 76 HE3 LYS 76 -11.944 -8.366 -26.064 596 HZ1 LYS 76 HZ1 LYS 76 -10.755 -9.137 -28.035 597 HZ2 LYS 76 HZ2 LYS 76 -10.234 -9.974 -26.736 598 HZ3 LYS 76 HZ3 LYS 76 -11.251 -10.674 -27.809 599 H THR 77 H THR 77 -18.245 -9.958 -25.861 600 HA THR 77 HA THR 77 -18.962 -7.570 -27.261 601 HB THR 77 HB THR 77 -20.799 -9.878 -26.514 602 HG1 THR 77 HG1 THR 77 -20.070 -10.795 -28.450 603 HG21 THR 77 HG21 THR 77 -20.761 -7.959 -28.889 604 HG22 THR 77 HG22 THR 77 -21.859 -9.348 -28.703 605 HG23 THR 77 HG23 THR 77 -21.966 -7.984 -27.581 606 H GLN 78 H GLN 78 -20.121 -8.947 -24.168 607 HA GLN 78 HA GLN 78 -22.179 -6.951 -23.727 608 HB2 GLN 78 HB2 GLN 78 -20.759 -8.824 -21.771 609 HB3 GLN 78 HB3 GLN 78 -22.242 -7.922 -21.453 610 HG2 GLN 78 HG2 GLN 78 -21.869 -10.201 -23.449 611 HG3 GLN 78 HG3 GLN 78 -22.760 -10.250 -21.936 612 HE21 GLN 78 HE21 GLN 78 -24.811 -8.938 -21.795 613 HE22 GLN 78 HE22 GLN 78 -25.658 -8.594 -23.297 614 H LEU 79 H LEU 79 -18.824 -7.380 -22.545 615 HA LEU 79 HA LEU 79 -18.749 -5.047 -20.888 616 HB2 LEU 79 HB2 LEU 79 -16.557 -6.608 -22.309 617 HB3 LEU 79 HB3 LEU 79 -16.236 -5.313 -21.162 618 HG LEU 79 HG LEU 79 -17.825 -7.815 -20.451 619 HD11 LEU 79 HD11 LEU 79 -15.766 -8.550 -19.302 620 HD12 LEU 79 HD12 LEU 79 -15.581 -8.430 -21.056 621 HD13 LEU 79 HD13 LEU 79 -14.896 -7.162 -20.003 622 HD21 LEU 79 HD21 LEU 79 -16.546 -5.624 -18.751 623 HD22 LEU 79 HD22 LEU 79 -18.287 -5.923 -18.934 624 HD23 LEU 79 HD23 LEU 79 -17.276 -7.107 -18.110 625 H GLU 80 H GLU 80 -17.743 -5.408 -24.368 626 HA GLU 80 HA GLU 80 -16.902 -2.661 -24.510 627 HB2 GLU 80 HB2 GLU 80 -16.658 -2.886 -26.812 628 HB3 GLU 80 HB3 GLU 80 -16.171 -4.422 -26.104 629 HG2 GLU 80 HG2 GLU 80 -18.380 -5.386 -26.768 630 HG3 GLU 80 HG3 GLU 80 -18.823 -3.846 -27.505 631 H ILE 81 H ILE 81 -20.108 -4.136 -25.061 632 HA ILE 81 HA ILE 81 -21.355 -1.718 -26.056 633 HB ILE 81 HB ILE 81 -22.411 -4.282 -24.821 634 HG12 ILE 81 HG12 ILE 81 -22.679 -3.072 -27.618 635 HG13 ILE 81 HG13 ILE 81 -21.437 -4.229 -27.164 636 HG21 ILE 81 HG21 ILE 81 -24.021 -2.529 -24.154 637 HG22 ILE 81 HG22 ILE 81 -24.084 -1.931 -25.831 638 HG23 ILE 81 HG23 ILE 81 -24.711 -3.540 -25.405 639 HD11 ILE 81 HD11 ILE 81 -23.257 -5.881 -26.568 640 HD12 ILE 81 HD12 ILE 81 -24.430 -4.747 -27.282 641 HD13 ILE 81 HD13 ILE 81 -23.153 -5.446 -28.285 642 H ASN 82 H ASN 82 -21.027 -3.087 -22.742 643 HA ASN 82 HA ASN 82 -22.426 -0.915 -21.440 644 HB2 ASN 82 HB2 ASN 82 -20.508 -3.085 -20.510 645 HB3 ASN 82 HB3 ASN 82 -20.994 -1.785 -19.428 646 HD21 ASN 82 HD21 ASN 82 -22.230 -4.567 -21.248 647 HD22 ASN 82 HD22 ASN 82 -23.749 -4.634 -20.350 648 H GLY 83 H GLY 83 -18.985 -1.373 -22.305 649 HA2 GLY 83 HA2 GLY 83 -17.969 0.966 -20.994 650 HA3 GLY 83 HA3 GLY 83 -17.217 0.099 -22.342 651 H ARG 84 H ARG 84 -18.956 0.446 -24.447 652 HA ARG 84 HA ARG 84 -18.455 3.087 -25.370 653 HB2 ARG 84 HB2 ARG 84 -20.441 0.945 -26.234 654 HB3 ARG 84 HB3 ARG 84 -20.282 2.480 -27.097 655 HG2 ARG 84 HG2 ARG 84 -18.002 2.055 -27.695 656 HG3 ARG 84 HG3 ARG 84 -17.877 0.685 -26.598 657 HD2 ARG 84 HD2 ARG 84 -18.091 -0.170 -28.847 658 HD3 ARG 84 HD3 ARG 84 -19.534 -0.574 -27.931 659 HE ARG 84 HE ARG 84 -20.827 0.795 -29.297 660 HH11 ARG 84 HH11 ARG 84 -17.896 2.339 -31.525 661 HH12 ARG 84 HH12 ARG 84 -17.472 1.426 -30.102 662 HH21 ARG 84 HH21 ARG 84 -20.000 2.634 -32.077 663 HH22 ARG 84 HH22 ARG 84 -21.289 1.971 -31.118 664 H ASN 85 H ASN 85 -21.241 1.888 -23.592 665 HA ASN 85 HA ASN 85 -22.806 4.344 -23.877 666 HB2 ASN 85 HB2 ASN 85 -23.095 1.745 -22.328 667 HB3 ASN 85 HB3 ASN 85 -24.135 3.117 -21.974 668 HD21 ASN 85 HD21 ASN 85 -23.411 0.657 -24.394 669 HD22 ASN 85 HD22 ASN 85 -24.807 1.051 -25.398 670 H ASN 86 H ASN 86 -20.014 3.845 -22.107 671 HA ASN 86 HA ASN 86 -20.753 5.956 -20.107 672 HB2 ASN 86 HB2 ASN 86 -19.146 3.399 -19.732 673 HB3 ASN 86 HB3 ASN 86 -19.035 4.776 -18.635 674 HD21 ASN 86 HD21 ASN 86 -21.098 2.095 -19.646 675 HD22 ASN 86 HD22 ASN 86 -22.294 2.376 -18.383 676 H LEU 87 H LEU 87 -18.133 4.653 -22.202 677 HA LEU 87 HA LEU 87 -16.303 6.842 -21.530 678 HB2 LEU 87 HB2 LEU 87 -16.236 4.673 -23.663 679 HB3 LEU 87 HB3 LEU 87 -15.034 5.934 -23.521 680 HG LEU 87 HG LEU 87 -13.994 4.219 -22.519 681 HD11 LEU 87 HD11 LEU 87 -13.944 6.194 -21.022 682 HD12 LEU 87 HD12 LEU 87 -15.269 5.473 -20.072 683 HD13 LEU 87 HD13 LEU 87 -13.703 4.653 -20.180 684 HD21 LEU 87 HD21 LEU 87 -14.875 2.616 -20.948 685 HD22 LEU 87 HD22 LEU 87 -16.447 3.434 -20.927 686 HD23 LEU 87 HD23 LEU 87 -15.857 2.644 -22.416 687 H ILE 88 H ILE 88 -18.989 6.643 -23.518 688 HA ILE 88 HA ILE 88 -19.334 7.586 -25.722 689 HB ILE 88 HB ILE 88 -20.812 9.504 -25.021 690 HG12 ILE 88 HG12 ILE 88 -19.815 8.797 -22.213 691 HG13 ILE 88 HG13 ILE 88 -19.502 10.309 -23.052 692 HG21 ILE 88 HG21 ILE 88 -21.483 7.101 -25.151 693 HG22 ILE 88 HG22 ILE 88 -21.123 6.937 -23.418 694 HG23 ILE 88 HG23 ILE 88 -22.408 8.027 -23.975 695 HD11 ILE 88 HD11 ILE 88 -22.182 9.283 -22.055 696 HD12 ILE 88 HD12 ILE 88 -21.258 10.668 -21.468 697 HD13 ILE 88 HD13 ILE 88 -21.992 10.729 -23.085 698 H GLN 89 H GLN 89 -17.122 7.927 -26.466 699 HA GLN 89 HA GLN 89 -16.791 10.650 -27.472 700 HB2 GLN 89 HB2 GLN 89 -15.592 10.580 -25.236 701 HB3 GLN 89 HB3 GLN 89 -14.548 9.312 -25.883 702 HG2 GLN 89 HG2 GLN 89 -13.617 10.885 -27.527 703 HG3 GLN 89 HG3 GLN 89 -14.821 12.103 -27.083 704 HE21 GLN 89 HE21 GLN 89 -13.831 13.733 -25.887 705 HE22 GLN 89 HE22 GLN 89 -12.582 13.439 -24.685 706 H GLN 90 H GLN 90 -15.122 10.687 -29.208 707 HA GLN 90 HA GLN 90 -14.347 8.068 -30.365 708 HB2 GLN 90 HB2 GLN 90 -15.214 8.659 -32.544 709 HB3 GLN 90 HB3 GLN 90 -16.513 8.588 -31.370 710 HG2 GLN 90 HG2 GLN 90 -15.228 11.195 -32.321 711 HG3 GLN 90 HG3 GLN 90 -16.643 10.462 -33.061 712 HE21 GLN 90 HE21 GLN 90 -18.666 10.296 -31.747 713 HE22 GLN 90 HE22 GLN 90 -18.884 11.449 -30.438 714 H LYS 91 H LYS 91 -12.781 8.236 -32.104 715 HA LYS 91 HA LYS 91 -10.531 9.833 -31.404 716 HB2 LYS 91 HB2 LYS 91 -10.519 7.580 -32.481 717 HB3 LYS 91 HB3 LYS 91 -11.076 8.311 -33.992 718 HG2 LYS 91 HG2 LYS 91 -8.996 9.640 -34.131 719 HG3 LYS 91 HG3 LYS 91 -8.474 9.006 -32.556 720 HD2 LYS 91 HD2 LYS 91 -8.411 6.706 -33.508 721 HD3 LYS 91 HD3 LYS 91 -9.009 7.330 -35.049 722 HE2 LYS 91 HE2 LYS 91 -6.658 7.020 -35.291 723 HE3 LYS 91 HE3 LYS 91 -6.968 8.757 -35.256 724 HZ1 LYS 91 HZ1 LYS 91 -5.995 7.150 -32.947 725 HZ2 LYS 91 HZ2 LYS 91 -5.071 8.134 -33.860 726 HZ3 LYS 91 HZ3 LYS 91 -6.244 8.767 -32.923 727 H ASN 92 H ASN 92 -12.987 10.403 -33.881 728 HA ASN 92 HA ASN 92 -12.060 13.187 -34.239 729 HB2 ASN 92 HB2 ASN 92 -10.769 11.854 -35.912 730 HB3 ASN 92 HB3 ASN 92 -12.278 11.201 -36.554 731 HD21 ASN 92 HD21 ASN 92 -11.174 12.173 -38.563 732 HD22 ASN 92 HD22 ASN 92 -11.580 13.849 -38.908 Start of MODEL 19 1 H MET 1 H MET 1 -13.206 18.266 -12.086 2 HA MET 1 HA MET 1 -12.543 16.220 -11.022 3 HB2 MET 1 HB2 MET 1 -10.805 16.916 -9.424 4 HB3 MET 1 HB3 MET 1 -10.840 17.902 -10.877 5 HG2 MET 1 HG2 MET 1 -10.445 19.379 -9.097 6 HG3 MET 1 HG3 MET 1 -12.101 19.669 -9.603 7 HE1 MET 1 HE1 MET 1 -12.585 21.087 -7.460 8 HE2 MET 1 HE2 MET 1 -12.205 20.556 -5.806 9 HE3 MET 1 HE3 MET 1 -10.891 20.861 -6.964 10 H ALA 2 H ALA 2 -14.992 17.820 -9.405 11 HA ALA 2 HA ALA 2 -14.994 16.806 -6.792 12 HB1 ALA 2 HB1 ALA 2 -17.364 17.384 -8.622 13 HB2 ALA 2 HB2 ALA 2 -17.411 17.283 -6.848 14 HB3 ALA 2 HB3 ALA 2 -16.485 18.576 -7.632 15 H VAL 3 H VAL 3 -15.651 15.015 -9.713 16 HA VAL 3 HA VAL 3 -17.172 12.834 -8.657 17 HB VAL 3 HB VAL 3 -16.449 11.597 -10.648 18 HG11 VAL 3 HG11 VAL 3 -17.427 13.036 -12.324 19 HG12 VAL 3 HG12 VAL 3 -18.285 13.279 -10.791 20 HG13 VAL 3 HG13 VAL 3 -17.111 14.485 -11.352 21 HG21 VAL 3 HG21 VAL 3 -14.986 12.598 -12.339 22 HG22 VAL 3 HG22 VAL 3 -14.638 13.974 -11.279 23 HG23 VAL 3 HG23 VAL 3 -14.094 12.341 -10.837 24 H SER 4 H SER 4 -13.859 13.614 -8.143 25 HA SER 4 HA SER 4 -12.627 11.102 -7.852 26 HB2 SER 4 HB2 SER 4 -12.076 13.647 -6.278 27 HB3 SER 4 HB3 SER 4 -10.987 12.258 -6.443 28 HG SER 4 HG SER 4 -11.780 14.160 -8.370 29 H VAL 5 H VAL 5 -15.090 12.375 -5.783 30 HA VAL 5 HA VAL 5 -14.359 11.221 -3.281 31 HB VAL 5 HB VAL 5 -16.745 11.361 -2.694 32 HG11 VAL 5 HG11 VAL 5 -16.947 13.783 -2.849 33 HG12 VAL 5 HG12 VAL 5 -15.275 13.325 -2.487 34 HG13 VAL 5 HG13 VAL 5 -15.718 13.843 -4.127 35 HG21 VAL 5 HG21 VAL 5 -18.378 12.343 -4.244 36 HG22 VAL 5 HG22 VAL 5 -17.202 12.285 -5.568 37 HG23 VAL 5 HG23 VAL 5 -17.809 10.781 -4.839 38 H THR 6 H THR 6 -15.577 9.636 -6.144 39 HA THR 6 HA THR 6 -15.491 7.033 -4.722 40 HB THR 6 HB THR 6 -17.478 6.262 -6.036 41 HG1 THR 6 HG1 THR 6 -18.970 7.794 -6.599 42 HG21 THR 6 HG21 THR 6 -17.547 6.691 -3.589 43 HG22 THR 6 HG22 THR 6 -18.049 8.366 -3.916 44 HG23 THR 6 HG23 THR 6 -19.093 7.011 -4.392 45 HA PRO 7 HA PRO 7 -13.030 6.724 -8.517 46 HB2 PRO 7 HB2 PRO 7 -11.407 4.641 -7.832 47 HB3 PRO 7 HB3 PRO 7 -11.223 6.281 -7.140 48 HG2 PRO 7 HG2 PRO 7 -12.691 3.911 -5.934 49 HG3 PRO 7 HG3 PRO 7 -11.466 4.965 -5.155 50 HD2 PRO 7 HD2 PRO 7 -14.146 5.365 -4.840 51 HD3 PRO 7 HD3 PRO 7 -13.003 6.740 -4.931 52 H ILE 8 H ILE 8 -15.217 4.399 -7.278 53 HA ILE 8 HA ILE 8 -14.947 2.223 -9.027 54 HB ILE 8 HB ILE 8 -17.160 1.582 -8.361 55 HG12 ILE 8 HG12 ILE 8 -17.522 4.430 -7.318 56 HG13 ILE 8 HG13 ILE 8 -18.366 3.705 -8.684 57 HG21 ILE 8 HG21 ILE 8 -16.793 1.504 -5.972 58 HG22 ILE 8 HG22 ILE 8 -15.210 1.489 -6.756 59 HG23 ILE 8 HG23 ILE 8 -15.806 2.982 -6.006 60 HD11 ILE 8 HD11 ILE 8 -18.661 2.906 -5.766 61 HD12 ILE 8 HD12 ILE 8 -19.849 3.712 -6.799 62 HD13 ILE 8 HD13 ILE 8 -19.394 2.030 -7.134 63 H ARG 9 H ARG 9 -16.034 5.346 -9.865 64 HA ARG 9 HA ARG 9 -17.794 4.875 -12.068 65 HB2 ARG 9 HB2 ARG 9 -15.727 7.078 -11.651 66 HB3 ARG 9 HB3 ARG 9 -17.083 7.142 -12.786 67 HG2 ARG 9 HG2 ARG 9 -18.705 7.128 -10.953 68 HG3 ARG 9 HG3 ARG 9 -17.426 6.855 -9.764 69 HD2 ARG 9 HD2 ARG 9 -16.370 9.043 -10.599 70 HD3 ARG 9 HD3 ARG 9 -17.912 9.351 -11.407 71 HE ARG 9 HE ARG 9 -17.522 8.901 -8.448 72 HH11 ARG 9 HH11 ARG 9 -19.858 11.199 -7.567 73 HH12 ARG 9 HH12 ARG 9 -18.696 9.989 -7.061 74 HH21 ARG 9 HH21 ARG 9 -20.243 11.510 -9.734 75 HH22 ARG 9 HH22 ARG 9 -19.357 10.597 -10.924 76 H ASP 10 H ASP 10 -14.288 4.688 -11.807 77 HA ASP 10 HA ASP 10 -13.717 4.507 -14.641 78 HB2 ASP 10 HB2 ASP 10 -12.182 5.313 -12.799 79 HB3 ASP 10 HB3 ASP 10 -12.042 3.642 -12.252 80 H THR 11 H THR 11 -15.019 2.209 -12.435 81 HA THR 11 HA THR 11 -14.359 -0.073 -14.253 82 HB THR 11 HB THR 11 -14.500 -1.544 -12.226 83 HG1 THR 11 HG1 THR 11 -15.556 -0.205 -10.788 84 HG21 THR 11 HG21 THR 11 -12.328 0.585 -12.089 85 HG22 THR 11 HG22 THR 11 -12.291 -1.019 -11.328 86 HG23 THR 11 HG23 THR 11 -12.297 -0.884 -13.092 87 H LYS 12 H LYS 12 -16.831 1.872 -13.544 88 HA LYS 12 HA LYS 12 -19.063 0.553 -12.704 89 HB2 LYS 12 HB2 LYS 12 -18.859 2.935 -13.380 90 HB3 LYS 12 HB3 LYS 12 -18.873 2.451 -15.079 91 HG2 LYS 12 HG2 LYS 12 -21.181 1.493 -14.734 92 HG3 LYS 12 HG3 LYS 12 -21.137 2.089 -13.062 93 HD2 LYS 12 HD2 LYS 12 -20.867 4.416 -13.929 94 HD3 LYS 12 HD3 LYS 12 -20.891 3.785 -15.590 95 HE2 LYS 12 HE2 LYS 12 -23.173 2.788 -15.086 96 HE3 LYS 12 HE3 LYS 12 -23.146 3.645 -13.538 97 HZ1 LYS 12 HZ1 LYS 12 -23.014 4.901 -16.233 98 HZ2 LYS 12 HZ2 LYS 12 -24.308 4.935 -15.232 99 HZ3 LYS 12 HZ3 LYS 12 -22.946 5.739 -14.820 100 H TRP 13 H TRP 13 -17.783 0.197 -16.009 101 HA TRP 13 HA TRP 13 -19.981 -1.641 -16.766 102 HB2 TRP 13 HB2 TRP 13 -19.422 -1.223 -18.909 103 HB3 TRP 13 HB3 TRP 13 -18.937 0.294 -18.175 104 HD1 TRP 13 HD1 TRP 13 -17.636 -2.731 -19.992 105 HE1 TRP 13 HE1 TRP 13 -15.242 -2.317 -20.807 106 HE3 TRP 13 HE3 TRP 13 -16.666 1.611 -17.451 107 HZ2 TRP 13 HZ2 TRP 13 -13.131 -0.411 -20.330 108 HZ3 TRP 13 HZ3 TRP 13 -14.443 2.680 -17.631 109 HH2 TRP 13 HH2 TRP 13 -12.665 1.691 -19.052 110 H LEU 14 H LEU 14 -16.972 -2.047 -15.288 111 HA LEU 14 HA LEU 14 -16.286 -4.613 -16.599 112 HB2 LEU 14 HB2 LEU 14 -14.876 -2.927 -14.492 113 HB3 LEU 14 HB3 LEU 14 -14.213 -4.369 -15.232 114 HG LEU 14 HG LEU 14 -14.901 -1.799 -16.733 115 HD11 LEU 14 HD11 LEU 14 -12.507 -1.455 -16.872 116 HD12 LEU 14 HD12 LEU 14 -12.990 -1.559 -15.178 117 HD13 LEU 14 HD13 LEU 14 -12.203 -2.949 -15.942 118 HD21 LEU 14 HD21 LEU 14 -13.588 -2.780 -18.573 119 HD22 LEU 14 HD22 LEU 14 -13.382 -4.278 -17.660 120 HD23 LEU 14 HD23 LEU 14 -14.999 -3.780 -18.222 121 H THR 15 H THR 15 -17.869 -3.580 -13.661 122 HA THR 15 HA THR 15 -17.160 -5.896 -12.097 123 HB THR 15 HB THR 15 -19.538 -4.152 -11.504 124 HG1 THR 15 HG1 THR 15 -18.130 -2.751 -10.487 125 HG21 THR 15 HG21 THR 15 -18.801 -4.539 -9.170 126 HG22 THR 15 HG22 THR 15 -19.161 -6.052 -10.008 127 HG23 THR 15 HG23 THR 15 -17.470 -5.558 -9.760 128 H LEU 16 H LEU 16 -17.594 -7.538 -13.597 129 HA LEU 16 HA LEU 16 -20.257 -8.259 -14.528 130 HB2 LEU 16 HB2 LEU 16 -17.455 -8.985 -14.945 131 HB3 LEU 16 HB3 LEU 16 -18.351 -10.446 -14.607 132 HG LEU 16 HG LEU 16 -19.197 -8.435 -16.729 133 HD11 LEU 16 HD11 LEU 16 -16.954 -9.340 -17.225 134 HD12 LEU 16 HD12 LEU 16 -17.568 -10.992 -17.027 135 HD13 LEU 16 HD13 LEU 16 -18.168 -9.962 -18.352 136 HD21 LEU 16 HD21 LEU 16 -19.960 -11.351 -16.231 137 HD22 LEU 16 HD22 LEU 16 -21.016 -9.939 -16.008 138 HD23 LEU 16 HD23 LEU 16 -20.468 -10.377 -17.629 139 H GLU 17 H GLU 17 -21.606 -9.987 -13.747 140 HA GLU 17 HA GLU 17 -21.254 -10.682 -10.927 141 HB2 GLU 17 HB2 GLU 17 -23.223 -11.915 -12.876 142 HB3 GLU 17 HB3 GLU 17 -23.246 -11.972 -11.111 143 HG2 GLU 17 HG2 GLU 17 -23.269 -9.302 -11.408 144 HG3 GLU 17 HG3 GLU 17 -23.968 -9.722 -12.969 145 H VAL 18 H VAL 18 -20.925 -12.778 -10.026 146 HA VAL 18 HA VAL 18 -19.238 -14.561 -11.691 147 HB VAL 18 HB VAL 18 -18.760 -15.825 -9.759 148 HG11 VAL 18 HG11 VAL 18 -17.676 -14.216 -8.324 149 HG12 VAL 18 HG12 VAL 18 -17.574 -13.673 -10.004 150 HG13 VAL 18 HG13 VAL 18 -18.733 -12.908 -8.885 151 HG21 VAL 18 HG21 VAL 18 -19.659 -15.323 -7.495 152 HG22 VAL 18 HG22 VAL 18 -20.871 -14.259 -8.235 153 HG23 VAL 18 HG23 VAL 18 -20.860 -15.995 -8.600 154 H CYS 19 H CYS 19 -19.841 -16.720 -12.260 155 HA CYS 19 HA CYS 19 -22.594 -17.077 -12.860 156 HB2 CYS 19 HB2 CYS 19 -20.729 -18.116 -14.087 157 HB3 CYS 19 HB3 CYS 19 -20.385 -19.134 -12.697 158 H ARG 20 H ARG 20 -24.244 -17.804 -11.804 159 HA ARG 20 HA ARG 20 -24.273 -18.119 -8.972 160 HB2 ARG 20 HB2 ARG 20 -26.393 -18.896 -11.021 161 HB3 ARG 20 HB3 ARG 20 -26.618 -18.841 -9.279 162 HG2 ARG 20 HG2 ARG 20 -27.485 -16.789 -9.916 163 HG3 ARG 20 HG3 ARG 20 -25.853 -16.361 -9.396 164 HD2 ARG 20 HD2 ARG 20 -25.124 -16.253 -11.767 165 HD3 ARG 20 HD3 ARG 20 -26.705 -16.803 -12.303 166 HE ARG 20 HE ARG 20 -25.890 -14.120 -11.418 167 HH11 ARG 20 HH11 ARG 20 -29.744 -14.706 -12.231 168 HH12 ARG 20 HH12 ARG 20 -28.727 -16.101 -11.999 169 HH21 ARG 20 HH21 ARG 20 -28.910 -12.671 -12.067 170 HH22 ARG 20 HH22 ARG 20 -27.210 -12.412 -11.739 171 H GLU 21 H GLU 21 -23.985 -20.550 -11.487 172 HA GLU 21 HA GLU 21 -24.405 -22.759 -9.595 173 HB2 GLU 21 HB2 GLU 21 -23.394 -22.806 -12.452 174 HB3 GLU 21 HB3 GLU 21 -23.922 -24.195 -11.502 175 HG2 GLU 21 HG2 GLU 21 -25.649 -21.887 -12.512 176 HG3 GLU 21 HG3 GLU 21 -25.689 -23.561 -13.056 177 H PHE 22 H PHE 22 -21.692 -21.043 -11.100 178 HA PHE 22 HA PHE 22 -19.570 -22.733 -10.155 179 HB2 PHE 22 HB2 PHE 22 -19.492 -21.039 -11.977 180 HB3 PHE 22 HB3 PHE 22 -19.591 -19.767 -10.786 181 HD1 PHE 22 HD1 PHE 22 -17.665 -19.212 -9.346 182 HD2 PHE 22 HD2 PHE 22 -17.444 -22.255 -12.394 183 HE1 PHE 22 HE1 PHE 22 -15.187 -19.126 -9.256 184 HE2 PHE 22 HE2 PHE 22 -14.962 -22.185 -12.281 185 HZ PHE 22 HZ PHE 22 -13.830 -20.618 -10.714 186 H GLN 23 H GLN 23 -21.579 -20.311 -8.557 187 HA GLN 23 HA GLN 23 -19.900 -19.695 -6.344 188 HB2 GLN 23 HB2 GLN 23 -22.944 -19.861 -6.441 189 HB3 GLN 23 HB3 GLN 23 -22.027 -19.248 -5.073 190 HG2 GLN 23 HG2 GLN 23 -21.068 -17.445 -6.476 191 HG3 GLN 23 HG3 GLN 23 -22.007 -18.033 -7.845 192 HE21 GLN 23 HE21 GLN 23 -23.084 -15.964 -8.050 193 HE22 GLN 23 HE22 GLN 23 -24.343 -15.542 -6.897 194 H ARG 24 H ARG 24 -21.630 -22.633 -7.051 195 HA ARG 24 HA ARG 24 -20.842 -23.801 -4.398 196 HB2 ARG 24 HB2 ARG 24 -23.113 -24.818 -6.132 197 HB3 ARG 24 HB3 ARG 24 -22.683 -25.308 -4.507 198 HG2 ARG 24 HG2 ARG 24 -24.351 -23.972 -3.838 199 HG3 ARG 24 HG3 ARG 24 -23.188 -22.666 -4.029 200 HD2 ARG 24 HD2 ARG 24 -25.279 -22.055 -5.108 201 HD3 ARG 24 HD3 ARG 24 -24.051 -22.303 -6.361 202 HE ARG 24 HE ARG 24 -25.565 -24.725 -5.832 203 HH11 ARG 24 HH11 ARG 24 -26.841 -22.440 -8.841 204 HH12 ARG 24 HH12 ARG 24 -25.788 -21.719 -7.640 205 HH21 ARG 24 HH21 ARG 24 -27.086 -24.558 -8.916 206 HH22 ARG 24 HH22 ARG 24 -26.769 -25.578 -7.533 207 H GLY 25 H GLY 25 -19.546 -23.577 -7.230 208 HA2 GLY 25 HA2 GLY 25 -18.116 -24.812 -8.510 209 HA3 GLY 25 HA3 GLY 25 -18.022 -25.962 -7.167 210 H THR 26 H THR 26 -20.932 -25.155 -9.108 211 HA THR 26 HA THR 26 -20.899 -27.919 -10.244 212 HB THR 26 HB THR 26 -22.282 -27.781 -8.228 213 HG1 THR 26 HG1 THR 26 -23.602 -28.284 -10.666 214 HG21 THR 26 HG21 THR 26 -24.501 -26.737 -8.312 215 HG22 THR 26 HG22 THR 26 -23.200 -25.544 -8.348 216 HG23 THR 26 HG23 THR 26 -24.082 -25.934 -9.841 217 H CYS 27 H CYS 27 -20.315 -25.153 -11.461 218 HA CYS 27 HA CYS 27 -22.306 -24.863 -13.548 219 HB2 CYS 27 HB2 CYS 27 -20.745 -23.046 -12.758 220 HB3 CYS 27 HB3 CYS 27 -19.416 -23.891 -13.557 221 H SER 28 H SER 28 -21.470 -25.080 -15.912 222 HA SER 28 HA SER 28 -20.172 -27.749 -16.364 223 HB2 SER 28 HB2 SER 28 -21.948 -28.369 -17.918 224 HB3 SER 28 HB3 SER 28 -22.588 -28.070 -16.298 225 HG SER 28 HG SER 28 -23.866 -27.088 -17.936 226 H ARG 29 H ARG 29 -19.708 -24.631 -17.050 227 HA ARG 29 HA ARG 29 -18.639 -25.127 -19.819 228 HB2 ARG 29 HB2 ARG 29 -20.030 -22.702 -18.638 229 HB3 ARG 29 HB3 ARG 29 -19.226 -22.707 -20.195 230 HG2 ARG 29 HG2 ARG 29 -20.816 -24.232 -21.158 231 HG3 ARG 29 HG3 ARG 29 -21.554 -24.583 -19.588 232 HD2 ARG 29 HD2 ARG 29 -21.554 -21.864 -20.949 233 HD3 ARG 29 HD3 ARG 29 -22.910 -22.988 -20.946 234 HE ARG 29 HE ARG 29 -21.929 -21.361 -18.645 235 HH11 ARG 29 HH11 ARG 29 -24.841 -23.931 -17.874 236 HH12 ARG 29 HH12 ARG 29 -24.106 -24.006 -19.451 237 HH21 ARG 29 HH21 ARG 29 -22.727 -21.443 -16.770 238 HH22 ARG 29 HH22 ARG 29 -24.046 -22.498 -16.341 239 HA PRO 30 HA PRO 30 -14.925 -23.185 -18.053 240 HB2 PRO 30 HB2 PRO 30 -13.602 -22.473 -20.333 241 HB3 PRO 30 HB3 PRO 30 -13.750 -24.179 -19.813 242 HG2 PRO 30 HG2 PRO 30 -15.464 -22.694 -21.830 243 HG3 PRO 30 HG3 PRO 30 -14.668 -24.289 -22.021 244 HD2 PRO 30 HD2 PRO 30 -17.288 -24.079 -21.296 245 HD3 PRO 30 HD3 PRO 30 -16.237 -25.343 -20.610 246 H ASP 31 H ASP 31 -13.917 -20.938 -18.146 247 HA ASP 31 HA ASP 31 -15.815 -18.844 -17.948 248 HB2 ASP 31 HB2 ASP 31 -13.937 -17.356 -17.814 249 HB3 ASP 31 HB3 ASP 31 -13.562 -18.827 -16.914 250 H THR 32 H THR 32 -14.063 -20.007 -20.729 251 HA THR 32 HA THR 32 -14.595 -17.796 -22.501 252 HB THR 32 HB THR 32 -13.810 -19.371 -24.285 253 HG1 THR 32 HG1 THR 32 -13.006 -21.359 -23.585 254 HG21 THR 32 HG21 THR 32 -11.998 -19.285 -21.838 255 HG22 THR 32 HG22 THR 32 -11.508 -19.483 -23.534 256 HG23 THR 32 HG23 THR 32 -12.217 -17.953 -22.993 257 H GLU 33 H GLU 33 -16.770 -20.121 -21.374 258 HA GLU 33 HA GLU 33 -18.542 -19.805 -23.794 259 HB2 GLU 33 HB2 GLU 33 -17.768 -22.216 -22.174 260 HB3 GLU 33 HB3 GLU 33 -19.406 -22.153 -22.793 261 HG2 GLU 33 HG2 GLU 33 -18.568 -21.793 -25.074 262 HG3 GLU 33 HG3 GLU 33 -16.897 -21.887 -24.486 263 H CYS 34 H CYS 34 -18.417 -19.700 -20.251 264 HA CYS 34 HA CYS 34 -21.236 -19.966 -19.932 265 HB2 CYS 34 HB2 CYS 34 -19.306 -20.393 -18.291 266 HB3 CYS 34 HB3 CYS 34 -19.412 -18.671 -17.903 267 H LYS 35 H LYS 35 -22.532 -18.437 -18.734 268 HA LYS 35 HA LYS 35 -22.953 -15.935 -20.288 269 HB2 LYS 35 HB2 LYS 35 -24.542 -17.379 -18.109 270 HB3 LYS 35 HB3 LYS 35 -25.081 -15.882 -18.842 271 HG2 LYS 35 HG2 LYS 35 -24.616 -18.488 -20.358 272 HG3 LYS 35 HG3 LYS 35 -26.172 -17.931 -19.768 273 HD2 LYS 35 HD2 LYS 35 -24.453 -16.526 -21.856 274 HD3 LYS 35 HD3 LYS 35 -25.882 -17.491 -22.184 275 HE2 LYS 35 HE2 LYS 35 -25.848 -14.894 -20.573 276 HE3 LYS 35 HE3 LYS 35 -26.260 -15.024 -22.281 277 HZ1 LYS 35 HZ1 LYS 35 -28.255 -15.019 -20.926 278 HZ2 LYS 35 HZ2 LYS 35 -28.129 -16.463 -21.671 279 HZ3 LYS 35 HZ3 LYS 35 -27.774 -16.326 -20.080 280 H PHE 36 H PHE 36 -21.382 -16.747 -17.424 281 HA PHE 36 HA PHE 36 -21.256 -13.918 -16.495 282 HB2 PHE 36 HB2 PHE 36 -21.829 -16.372 -14.822 283 HB3 PHE 36 HB3 PHE 36 -21.523 -14.778 -14.161 284 HD1 PHE 36 HD1 PHE 36 -24.057 -17.057 -15.119 285 HD2 PHE 36 HD2 PHE 36 -23.136 -12.848 -15.009 286 HE1 PHE 36 HE1 PHE 36 -26.484 -16.525 -15.165 287 HE2 PHE 36 HE2 PHE 36 -25.565 -12.316 -15.028 288 HZ PHE 36 HZ PHE 36 -27.241 -14.154 -15.112 289 H ALA 37 H ALA 37 -19.468 -13.812 -14.654 290 HA ALA 37 HA ALA 37 -17.045 -14.863 -15.900 291 HB1 ALA 37 HB1 ALA 37 -17.181 -12.563 -15.111 292 HB2 ALA 37 HB2 ALA 37 -17.556 -13.122 -13.465 293 HB3 ALA 37 HB3 ALA 37 -15.958 -13.450 -14.184 294 H HIS 38 H HIS 38 -15.420 -16.064 -14.872 295 HA HIS 38 HA HIS 38 -16.177 -17.753 -12.530 296 HB2 HIS 38 HB2 HIS 38 -14.865 -18.614 -15.136 297 HB3 HIS 38 HB3 HIS 38 -14.873 -19.587 -13.669 298 HD1 HIS 38 HD1 HIS 38 -16.233 -20.662 -16.321 299 HD2 HIS 38 HD2 HIS 38 -18.169 -18.680 -13.161 300 HE1 HIS 38 HE1 HIS 38 -18.701 -21.299 -16.461 301 HA PRO 39 HA PRO 39 -12.257 -15.483 -11.578 302 HB2 PRO 39 HB2 PRO 39 -12.489 -15.636 -8.804 303 HB3 PRO 39 HB3 PRO 39 -13.199 -14.367 -9.830 304 HG2 PRO 39 HG2 PRO 39 -14.494 -16.857 -8.733 305 HG3 PRO 39 HG3 PRO 39 -15.155 -15.193 -8.780 306 HD2 PRO 39 HD2 PRO 39 -15.878 -17.065 -10.598 307 HD3 PRO 39 HD3 PRO 39 -15.655 -15.360 -11.086 308 H SER 40 H SER 40 -10.324 -15.974 -10.347 309 HA SER 40 HA SER 40 -9.803 -18.866 -9.807 310 HB2 SER 40 HB2 SER 40 -7.663 -18.681 -10.896 311 HB3 SER 40 HB3 SER 40 -8.929 -18.173 -12.040 312 HG SER 40 HG SER 40 -7.175 -16.700 -12.027 313 H LYS 41 H LYS 41 -7.362 -18.866 -8.978 314 HA LYS 41 HA LYS 41 -7.236 -18.520 -6.330 315 HB2 LYS 41 HB2 LYS 41 -4.945 -18.934 -6.450 316 HB3 LYS 41 HB3 LYS 41 -5.747 -19.773 -7.797 317 HG2 LYS 41 HG2 LYS 41 -5.063 -17.892 -9.314 318 HG3 LYS 41 HG3 LYS 41 -4.162 -17.179 -7.956 319 HD2 LYS 41 HD2 LYS 41 -2.795 -19.236 -7.774 320 HD3 LYS 41 HD3 LYS 41 -3.675 -19.931 -9.168 321 HE2 LYS 41 HE2 LYS 41 -3.060 -17.954 -10.520 322 HE3 LYS 41 HE3 LYS 41 -2.189 -17.275 -9.142 323 HZ1 LYS 41 HZ1 LYS 41 -1.469 -19.818 -10.522 324 HZ2 LYS 41 HZ2 LYS 41 -0.662 -18.409 -10.680 325 HZ3 LYS 41 HZ3 LYS 41 -0.663 -19.190 -9.247 326 H SER 42 H SER 42 -6.360 -15.830 -8.478 327 HA SER 42 HA SER 42 -5.741 -14.131 -6.097 328 HB2 SER 42 HB2 SER 42 -4.542 -12.692 -7.753 329 HB3 SER 42 HB3 SER 42 -3.890 -14.329 -7.565 330 HG SER 42 HG SER 42 -5.172 -13.171 -9.758 331 H CYS 43 H CYS 43 -8.176 -14.486 -8.535 332 HA CYS 43 HA CYS 43 -8.896 -11.797 -8.966 333 HB2 CYS 43 HB2 CYS 43 -10.606 -14.304 -9.071 334 HB3 CYS 43 HB3 CYS 43 -11.036 -12.725 -9.741 335 HG CYS 43 HG CYS 43 -8.440 -14.693 -10.557 336 H GLN 44 H GLN 44 -9.931 -10.298 -7.849 337 HA GLN 44 HA GLN 44 -10.867 -10.786 -5.118 338 HB2 GLN 44 HB2 GLN 44 -9.475 -8.860 -5.797 339 HB3 GLN 44 HB3 GLN 44 -10.777 -8.265 -6.836 340 HG2 GLN 44 HG2 GLN 44 -12.203 -7.866 -4.900 341 HG3 GLN 44 HG3 GLN 44 -11.044 -8.650 -3.820 342 HE21 GLN 44 HE21 GLN 44 -12.155 -5.640 -4.325 343 HE22 GLN 44 HE22 GLN 44 -10.642 -4.756 -4.160 344 H VAL 45 H VAL 45 -12.913 -11.074 -4.525 345 HA VAL 45 HA VAL 45 -15.167 -10.646 -6.460 346 HB VAL 45 HB VAL 45 -15.054 -12.760 -4.309 347 HG11 VAL 45 HG11 VAL 45 -17.326 -12.157 -5.000 348 HG12 VAL 45 HG12 VAL 45 -16.895 -12.420 -6.702 349 HG13 VAL 45 HG13 VAL 45 -16.929 -13.781 -5.563 350 HG21 VAL 45 HG21 VAL 45 -14.697 -14.484 -5.997 351 HG22 VAL 45 HG22 VAL 45 -14.475 -13.248 -7.241 352 HG23 VAL 45 HG23 VAL 45 -13.316 -13.395 -5.908 353 H GLU 46 H GLU 46 -16.865 -9.495 -5.712 354 HA GLU 46 HA GLU 46 -17.251 -8.993 -2.796 355 HB2 GLU 46 HB2 GLU 46 -16.870 -6.848 -4.931 356 HB3 GLU 46 HB3 GLU 46 -17.571 -6.552 -3.335 357 HG2 GLU 46 HG2 GLU 46 -15.489 -7.259 -2.237 358 HG3 GLU 46 HG3 GLU 46 -14.767 -7.655 -3.799 359 H ASN 47 H ASN 47 -19.340 -9.067 -2.261 360 HA ASN 47 HA ASN 47 -21.537 -9.547 -2.410 361 HB2 ASN 47 HB2 ASN 47 -21.108 -6.956 -2.687 362 HB3 ASN 47 HB3 ASN 47 -21.797 -7.203 -4.291 363 HD21 ASN 47 HD21 ASN 47 -24.002 -8.460 -4.208 364 HD22 ASN 47 HD22 ASN 47 -25.095 -7.954 -2.911 365 H GLY 48 H GLY 48 -20.188 -11.211 -4.280 366 HA2 GLY 48 HA2 GLY 48 -20.924 -12.857 -5.764 367 HA3 GLY 48 HA3 GLY 48 -22.466 -12.010 -5.937 368 H ARG 49 H ARG 49 -19.586 -10.149 -6.518 369 HA ARG 49 HA ARG 49 -19.681 -10.523 -9.462 370 HB2 ARG 49 HB2 ARG 49 -19.720 -7.749 -8.196 371 HB3 ARG 49 HB3 ARG 49 -19.823 -8.191 -9.899 372 HG2 ARG 49 HG2 ARG 49 -22.018 -9.354 -9.393 373 HG3 ARG 49 HG3 ARG 49 -21.952 -8.649 -7.774 374 HD2 ARG 49 HD2 ARG 49 -22.008 -6.408 -8.676 375 HD3 ARG 49 HD3 ARG 49 -21.861 -7.020 -10.337 376 HE ARG 49 HE ARG 49 -24.091 -8.288 -9.731 377 HH11 ARG 49 HH11 ARG 49 -26.671 -6.190 -9.357 378 HH12 ARG 49 HH12 ARG 49 -26.069 -7.797 -9.776 379 HH21 ARG 49 HH21 ARG 49 -23.479 -4.949 -8.801 380 HH22 ARG 49 HH22 ARG 49 -25.184 -4.585 -8.819 381 H VAL 50 H VAL 50 -17.910 -9.572 -10.561 382 HA VAL 50 HA VAL 50 -15.339 -9.359 -9.049 383 HB VAL 50 HB VAL 50 -14.370 -10.730 -10.959 384 HG11 VAL 50 HG11 VAL 50 -14.438 -11.599 -8.747 385 HG12 VAL 50 HG12 VAL 50 -16.148 -12.049 -8.897 386 HG13 VAL 50 HG13 VAL 50 -14.917 -12.894 -9.851 387 HG21 VAL 50 HG21 VAL 50 -15.788 -12.488 -11.955 388 HG22 VAL 50 HG22 VAL 50 -17.238 -11.730 -11.299 389 HG23 VAL 50 HG23 VAL 50 -16.273 -10.882 -12.520 390 H ILE 51 H ILE 51 -13.946 -7.826 -9.970 391 HA ILE 51 HA ILE 51 -15.018 -6.198 -12.211 392 HB ILE 51 HB ILE 51 -12.699 -5.793 -10.300 393 HG12 ILE 51 HG12 ILE 51 -15.395 -4.434 -10.613 394 HG13 ILE 51 HG13 ILE 51 -14.954 -5.577 -9.343 395 HG21 ILE 51 HG21 ILE 51 -12.155 -4.756 -12.510 396 HG22 ILE 51 HG22 ILE 51 -13.725 -3.922 -12.496 397 HG23 ILE 51 HG23 ILE 51 -12.468 -3.535 -11.301 398 HD11 ILE 51 HD11 ILE 51 -14.901 -3.394 -8.410 399 HD12 ILE 51 HD12 ILE 51 -13.223 -3.967 -8.528 400 HD13 ILE 51 HD13 ILE 51 -13.855 -2.772 -9.693 401 H ALA 52 H ALA 52 -14.292 -6.319 -14.271 402 HA ALA 52 HA ALA 52 -12.382 -8.345 -15.059 403 HB1 ALA 52 HB1 ALA 52 -12.882 -7.524 -17.344 404 HB2 ALA 52 HB2 ALA 52 -14.344 -7.881 -16.404 405 HB3 ALA 52 HB3 ALA 52 -13.838 -6.202 -16.639 406 H CYS 53 H CYS 53 -10.373 -8.071 -16.124 407 HA CYS 53 HA CYS 53 -8.659 -6.098 -14.969 408 HB2 CYS 53 HB2 CYS 53 -8.103 -8.514 -15.615 409 HB3 CYS 53 HB3 CYS 53 -7.981 -7.956 -17.274 410 H PHE 54 H PHE 54 -9.158 -4.042 -15.491 411 HA PHE 54 HA PHE 54 -9.777 -2.996 -18.062 412 HB2 PHE 54 HB2 PHE 54 -9.007 -0.804 -17.068 413 HB3 PHE 54 HB3 PHE 54 -10.266 -1.638 -16.192 414 HD1 PHE 54 HD1 PHE 54 -9.925 -2.552 -13.963 415 HD2 PHE 54 HD2 PHE 54 -6.698 -0.658 -16.113 416 HE1 PHE 54 HE1 PHE 54 -8.572 -2.503 -11.890 417 HE2 PHE 54 HE2 PHE 54 -5.334 -0.633 -14.055 418 HZ PHE 54 HZ PHE 54 -6.268 -1.545 -11.922 419 H ASP 55 H ASP 55 -6.622 -3.609 -16.523 420 HA ASP 55 HA ASP 55 -4.997 -2.256 -18.454 421 HB2 ASP 55 HB2 ASP 55 -4.397 -4.670 -16.705 422 HB3 ASP 55 HB3 ASP 55 -3.211 -3.786 -17.652 423 H SER 56 H SER 56 -6.458 -5.537 -18.498 424 HA SER 56 HA SER 56 -5.011 -6.432 -20.829 425 HB2 SER 56 HB2 SER 56 -6.400 -8.325 -20.814 426 HB3 SER 56 HB3 SER 56 -6.205 -7.886 -19.118 427 HG SER 56 HG SER 56 -8.270 -6.871 -19.229 428 H LEU 57 H LEU 57 -8.170 -4.858 -20.394 429 HA LEU 57 HA LEU 57 -8.923 -4.844 -23.185 430 HB2 LEU 57 HB2 LEU 57 -9.845 -3.403 -20.673 431 HB3 LEU 57 HB3 LEU 57 -10.542 -3.001 -22.240 432 HG LEU 57 HG LEU 57 -10.538 -5.834 -21.133 433 HD11 LEU 57 HD11 LEU 57 -11.756 -4.366 -19.597 434 HD12 LEU 57 HD12 LEU 57 -12.706 -3.705 -20.948 435 HD13 LEU 57 HD13 LEU 57 -12.877 -5.413 -20.478 436 HD21 LEU 57 HD21 LEU 57 -10.921 -5.696 -23.571 437 HD22 LEU 57 HD22 LEU 57 -12.425 -6.119 -22.744 438 HD23 LEU 57 HD23 LEU 57 -12.172 -4.460 -23.319 439 H LYS 58 H LYS 58 -7.322 -2.411 -21.106 440 HA LYS 58 HA LYS 58 -7.224 -0.406 -23.270 441 HB2 LYS 58 HB2 LYS 58 -6.013 -0.416 -20.481 442 HB3 LYS 58 HB3 LYS 58 -6.057 0.967 -21.564 443 HG2 LYS 58 HG2 LYS 58 -8.513 -0.373 -20.335 444 HG3 LYS 58 HG3 LYS 58 -7.724 1.087 -19.777 445 HD2 LYS 58 HD2 LYS 58 -9.519 1.936 -20.914 446 HD3 LYS 58 HD3 LYS 58 -8.251 2.050 -22.144 447 HE2 LYS 58 HE2 LYS 58 -9.116 -0.111 -23.136 448 HE3 LYS 58 HE3 LYS 58 -10.361 -0.153 -21.887 449 HZ1 LYS 58 HZ1 LYS 58 -11.226 1.950 -22.777 450 HZ2 LYS 58 HZ2 LYS 58 -10.068 1.990 -23.929 451 HZ3 LYS 58 HZ3 LYS 58 -11.201 0.817 -23.951 452 H GLY 59 H GLY 59 -5.245 -3.050 -22.547 453 HA2 GLY 59 HA2 GLY 59 -3.386 -3.765 -23.746 454 HA3 GLY 59 HA3 GLY 59 -3.295 -2.210 -24.568 455 H ARG 60 H ARG 60 -3.203 -2.857 -21.071 456 HA ARG 60 HA ARG 60 -0.371 -1.870 -20.894 457 HB2 ARG 60 HB2 ARG 60 -2.137 -0.193 -20.268 458 HB3 ARG 60 HB3 ARG 60 -2.693 -1.277 -19.002 459 HG2 ARG 60 HG2 ARG 60 -1.354 0.585 -18.172 460 HG3 ARG 60 HG3 ARG 60 -0.645 -0.953 -17.732 461 HD2 ARG 60 HD2 ARG 60 0.309 0.590 -20.178 462 HD3 ARG 60 HD3 ARG 60 0.871 1.002 -18.549 463 HE ARG 60 HE ARG 60 1.215 -1.786 -18.867 464 HH11 ARG 60 HH11 ARG 60 4.481 -1.765 -19.939 465 HH12 ARG 60 HH12 ARG 60 3.213 -2.704 -19.199 466 HH21 ARG 60 HH21 ARG 60 4.178 0.347 -20.491 467 HH22 ARG 60 HH22 ARG 60 2.639 1.118 -20.217 468 H CYS 61 H CYS 61 -2.417 -4.509 -20.168 469 HA CYS 61 HA CYS 61 -1.490 -5.283 -17.664 470 HB2 CYS 61 HB2 CYS 61 -3.379 -6.205 -19.225 471 HB3 CYS 61 HB3 CYS 61 -2.157 -7.388 -19.718 472 H SER 62 H SER 62 0.256 -6.002 -16.841 473 HA SER 62 HA SER 62 2.504 -7.148 -18.444 474 HB2 SER 62 HB2 SER 62 2.807 -4.918 -16.392 475 HB3 SER 62 HB3 SER 62 4.077 -5.616 -17.410 476 HG SER 62 HG SER 62 1.775 -4.231 -18.361 477 H ARG 63 H ARG 63 0.593 -8.424 -16.667 478 HA ARG 63 HA ARG 63 2.342 -9.450 -14.439 479 HB2 ARG 63 HB2 ARG 63 -0.650 -8.923 -14.478 480 HB3 ARG 63 HB3 ARG 63 0.211 -9.650 -13.131 481 HG2 ARG 63 HG2 ARG 63 1.429 -7.570 -12.705 482 HG3 ARG 63 HG3 ARG 63 0.586 -6.778 -14.054 483 HD2 ARG 63 HD2 ARG 63 -0.779 -8.058 -11.639 484 HD3 ARG 63 HD3 ARG 63 -0.477 -6.326 -11.814 485 HE ARG 63 HE ARG 63 -2.364 -7.986 -13.477 486 HH11 ARG 63 HH11 ARG 63 -2.694 -4.074 -13.744 487 HH12 ARG 63 HH12 ARG 63 -1.406 -4.659 -12.680 488 HH21 ARG 63 HH21 ARG 63 -3.760 -7.102 -14.787 489 HH22 ARG 63 HH22 ARG 63 -3.944 -5.365 -14.820 490 H GLU 64 H GLU 64 1.416 -11.397 -13.487 491 HA GLU 64 HA GLU 64 -0.033 -13.317 -15.235 492 HB2 GLU 64 HB2 GLU 64 2.620 -13.856 -13.824 493 HB3 GLU 64 HB3 GLU 64 1.627 -15.098 -14.569 494 HG2 GLU 64 HG2 GLU 64 2.989 -12.806 -16.039 495 HG3 GLU 64 HG3 GLU 64 3.563 -14.460 -15.938 496 H ASN 65 H ASN 65 -0.552 -11.589 -12.840 497 HA ASN 65 HA ASN 65 -1.640 -13.571 -10.932 498 HB2 ASN 65 HB2 ASN 65 -0.417 -12.495 -9.060 499 HB3 ASN 65 HB3 ASN 65 0.696 -13.181 -10.232 500 HD21 ASN 65 HD21 ASN 65 -0.455 -10.211 -8.769 501 HD22 ASN 65 HD22 ASN 65 0.764 -9.180 -9.513 502 H CYS 66 H CYS 66 -2.762 -11.290 -12.768 503 HA CYS 66 HA CYS 66 -3.611 -9.091 -11.337 504 HB2 CYS 66 HB2 CYS 66 -5.298 -10.652 -13.346 505 HB3 CYS 66 HB3 CYS 66 -5.432 -8.942 -12.963 506 H LYS 67 H LYS 67 -5.323 -8.488 -10.139 507 HA LYS 67 HA LYS 67 -6.862 -10.576 -8.697 508 HB2 LYS 67 HB2 LYS 67 -7.109 -7.594 -8.263 509 HB3 LYS 67 HB3 LYS 67 -7.495 -8.925 -7.163 510 HG2 LYS 67 HG2 LYS 67 -4.982 -9.460 -7.152 511 HG3 LYS 67 HG3 LYS 67 -4.748 -7.891 -7.955 512 HD2 LYS 67 HD2 LYS 67 -6.142 -8.353 -5.283 513 HD3 LYS 67 HD3 LYS 67 -4.477 -7.787 -5.474 514 HE2 LYS 67 HE2 LYS 67 -5.142 -5.695 -6.385 515 HE3 LYS 67 HE3 LYS 67 -6.777 -6.254 -6.746 516 HZ1 LYS 67 HZ1 LYS 67 -7.329 -6.261 -4.454 517 HZ2 LYS 67 HZ2 LYS 67 -5.780 -5.956 -3.974 518 HZ3 LYS 67 HZ3 LYS 67 -6.648 -4.817 -4.761 519 H TYR 68 H TYR 68 -7.195 -9.321 -11.572 520 HA TYR 68 HA TYR 68 -10.135 -8.864 -11.474 521 HB2 TYR 68 HB2 TYR 68 -8.040 -7.518 -13.212 522 HB3 TYR 68 HB3 TYR 68 -9.758 -7.139 -13.135 523 HD1 TYR 68 HD1 TYR 68 -6.484 -6.553 -11.614 524 HD2 TYR 68 HD2 TYR 68 -10.734 -6.190 -11.025 525 HE1 TYR 68 HE1 TYR 68 -6.090 -4.969 -9.733 526 HE2 TYR 68 HE2 TYR 68 -10.350 -4.601 -9.145 527 HH TYR 68 HH TYR 68 -8.779 -3.519 -7.860 528 H LEU 69 H LEU 69 -11.342 -9.537 -13.209 529 HA LEU 69 HA LEU 69 -10.492 -12.037 -14.391 530 HB2 LEU 69 HB2 LEU 69 -12.996 -10.354 -14.333 531 HB3 LEU 69 HB3 LEU 69 -12.863 -11.540 -15.607 532 HG LEU 69 HG LEU 69 -14.101 -12.259 -13.574 533 HD11 LEU 69 HD11 LEU 69 -13.197 -13.875 -15.211 534 HD12 LEU 69 HD12 LEU 69 -11.685 -13.972 -14.284 535 HD13 LEU 69 HD13 LEU 69 -13.210 -14.526 -13.565 536 HD21 LEU 69 HD21 LEU 69 -11.377 -12.594 -12.290 537 HD22 LEU 69 HD22 LEU 69 -12.483 -11.281 -11.887 538 HD23 LEU 69 HD23 LEU 69 -12.963 -12.964 -11.590 539 H HIS 70 H HIS 70 -9.295 -12.284 -16.226 540 HA HIS 70 HA HIS 70 -9.097 -10.205 -18.259 541 HB2 HIS 70 HB2 HIS 70 -8.206 -13.092 -18.094 542 HB3 HIS 70 HB3 HIS 70 -8.248 -12.259 -19.645 543 HD1 HIS 70 HD1 HIS 70 -5.657 -11.979 -20.008 544 HD2 HIS 70 HD2 HIS 70 -7.177 -10.353 -16.436 545 HE1 HIS 70 HE1 HIS 70 -3.872 -10.390 -19.100 546 HA PRO 71 HA PRO 71 -13.184 -10.987 -19.688 547 HB2 PRO 71 HB2 PRO 71 -13.347 -9.501 -21.923 548 HB3 PRO 71 HB3 PRO 71 -13.107 -8.807 -20.298 549 HG2 PRO 71 HG2 PRO 71 -10.932 -9.397 -22.331 550 HG3 PRO 71 HG3 PRO 71 -11.276 -7.859 -21.484 551 HD2 PRO 71 HD2 PRO 71 -9.446 -9.607 -20.520 552 HD3 PRO 71 HD3 PRO 71 -10.521 -8.697 -19.415 553 HA PRO 72 HA PRO 72 -12.471 -14.465 -22.533 554 HB2 PRO 72 HB2 PRO 72 -14.866 -15.751 -22.204 555 HB3 PRO 72 HB3 PRO 72 -13.550 -15.810 -20.983 556 HG2 PRO 72 HG2 PRO 72 -16.031 -14.104 -21.037 557 HG3 PRO 72 HG3 PRO 72 -15.315 -14.969 -19.643 558 HD2 PRO 72 HD2 PRO 72 -14.923 -12.276 -20.135 559 HD3 PRO 72 HD3 PRO 72 -13.729 -13.306 -19.293 560 HA PRO 73 HA PRO 73 -14.240 -12.913 -26.321 561 HB2 PRO 73 HB2 PRO 73 -14.883 -15.801 -26.950 562 HB3 PRO 73 HB3 PRO 73 -14.151 -14.552 -28.007 563 HG2 PRO 73 HG2 PRO 73 -12.579 -16.391 -26.800 564 HG3 PRO 73 HG3 PRO 73 -12.075 -14.671 -26.828 565 HD2 PRO 73 HD2 PRO 73 -13.338 -16.223 -24.566 566 HD3 PRO 73 HD3 PRO 73 -12.003 -15.028 -24.530 567 H HIS 74 H HIS 74 -16.246 -15.368 -24.684 568 HA HIS 74 HA HIS 74 -18.728 -14.594 -25.921 569 HB2 HIS 74 HB2 HIS 74 -18.073 -16.837 -24.863 570 HB3 HIS 74 HB3 HIS 74 -18.328 -16.092 -23.287 571 HD1 HIS 74 HD1 HIS 74 -20.669 -16.839 -22.421 572 HD2 HIS 74 HD2 HIS 74 -20.412 -16.391 -26.619 573 HE1 HIS 74 HE1 HIS 74 -22.949 -17.555 -23.379 574 HE2 HIS 74 HE2 HIS 74 -22.804 -17.233 -25.930 575 H LEU 75 H LEU 75 -17.016 -13.081 -23.344 576 HA LEU 75 HA LEU 75 -19.448 -11.478 -22.625 577 HB2 LEU 75 HB2 LEU 75 -17.004 -12.058 -20.937 578 HB3 LEU 75 HB3 LEU 75 -18.323 -11.010 -20.475 579 HG LEU 75 HG LEU 75 -18.583 -14.014 -20.988 580 HD11 LEU 75 HD11 LEU 75 -17.347 -13.352 -18.894 581 HD12 LEU 75 HD12 LEU 75 -18.807 -12.478 -18.377 582 HD13 LEU 75 HD13 LEU 75 -18.854 -14.236 -18.620 583 HD21 LEU 75 HD21 LEU 75 -20.840 -13.730 -19.973 584 HD22 LEU 75 HD22 LEU 75 -20.621 -11.963 -20.016 585 HD23 LEU 75 HD23 LEU 75 -20.695 -12.906 -21.522 586 H LYS 76 H LYS 76 -16.322 -11.281 -24.121 587 HA LYS 76 HA LYS 76 -15.734 -8.516 -23.707 588 HB2 LYS 76 HB2 LYS 76 -15.218 -10.409 -26.024 589 HB3 LYS 76 HB3 LYS 76 -14.791 -8.691 -26.113 590 HG2 LYS 76 HG2 LYS 76 -13.376 -8.855 -24.132 591 HG3 LYS 76 HG3 LYS 76 -13.866 -10.533 -23.876 592 HD2 LYS 76 HD2 LYS 76 -11.662 -10.496 -24.836 593 HD3 LYS 76 HD3 LYS 76 -12.786 -11.181 -26.014 594 HE2 LYS 76 HE2 LYS 76 -12.878 -8.992 -27.197 595 HE3 LYS 76 HE3 LYS 76 -11.793 -8.290 -25.988 596 HZ1 LYS 76 HZ1 LYS 76 -10.082 -9.876 -26.707 597 HZ2 LYS 76 HZ2 LYS 76 -11.084 -10.518 -27.828 598 HZ3 LYS 76 HZ3 LYS 76 -10.579 -8.976 -27.973 599 H THR 77 H THR 77 -18.158 -10.026 -25.847 600 HA THR 77 HA THR 77 -18.935 -7.647 -27.256 601 HB THR 77 HB THR 77 -20.718 -9.991 -26.485 602 HG1 THR 77 HG1 THR 77 -18.994 -9.748 -28.726 603 HG21 THR 77 HG21 THR 77 -21.759 -9.545 -28.702 604 HG22 THR 77 HG22 THR 77 -21.944 -8.186 -27.586 605 HG23 THR 77 HG23 THR 77 -20.729 -8.103 -28.881 606 H GLN 78 H GLN 78 -20.034 -9.017 -24.117 607 HA GLN 78 HA GLN 78 -22.100 -7.000 -23.705 608 HB2 GLN 78 HB2 GLN 78 -20.683 -8.909 -21.781 609 HB3 GLN 78 HB3 GLN 78 -22.062 -7.892 -21.360 610 HG2 GLN 78 HG2 GLN 78 -22.049 -10.127 -23.436 611 HG3 GLN 78 HG3 GLN 78 -22.746 -10.218 -21.828 612 HE21 GLN 78 HE21 GLN 78 -24.015 -10.451 -24.609 613 HE22 GLN 78 HE22 GLN 78 -25.329 -9.286 -24.539 614 H LEU 79 H LEU 79 -18.726 -7.416 -22.553 615 HA LEU 79 HA LEU 79 -18.647 -5.021 -20.969 616 HB2 LEU 79 HB2 LEU 79 -16.453 -6.603 -22.361 617 HB3 LEU 79 HB3 LEU 79 -16.146 -5.291 -21.225 618 HG LEU 79 HG LEU 79 -17.702 -7.822 -20.500 619 HD11 LEU 79 HD11 LEU 79 -15.664 -8.510 -19.323 620 HD12 LEU 79 HD12 LEU 79 -15.387 -8.343 -21.064 621 HD13 LEU 79 HD13 LEU 79 -14.809 -7.079 -19.945 622 HD21 LEU 79 HD21 LEU 79 -18.257 -5.955 -19.013 623 HD22 LEU 79 HD22 LEU 79 -17.211 -7.091 -18.163 624 HD23 LEU 79 HD23 LEU 79 -16.533 -5.580 -18.799 625 H GLU 80 H GLU 80 -17.893 -5.552 -24.429 626 HA GLU 80 HA GLU 80 -16.945 -3.000 -25.208 627 HB2 GLU 80 HB2 GLU 80 -18.514 -5.240 -26.467 628 HB3 GLU 80 HB3 GLU 80 -18.674 -3.699 -27.262 629 HG2 GLU 80 HG2 GLU 80 -16.044 -5.106 -26.799 630 HG3 GLU 80 HG3 GLU 80 -17.063 -5.191 -28.251 631 H ILE 81 H ILE 81 -20.279 -4.192 -25.183 632 HA ILE 81 HA ILE 81 -21.493 -1.727 -25.952 633 HB ILE 81 HB ILE 81 -22.488 -4.408 -24.944 634 HG12 ILE 81 HG12 ILE 81 -22.645 -3.075 -27.701 635 HG13 ILE 81 HG13 ILE 81 -21.275 -4.051 -27.214 636 HG21 ILE 81 HG21 ILE 81 -24.749 -3.761 -25.735 637 HG22 ILE 81 HG22 ILE 81 -24.243 -2.816 -24.336 638 HG23 ILE 81 HG23 ILE 81 -24.189 -2.087 -25.960 639 HD11 ILE 81 HD11 ILE 81 -22.524 -5.489 -28.466 640 HD12 ILE 81 HD12 ILE 81 -22.866 -5.976 -26.804 641 HD13 ILE 81 HD13 ILE 81 -24.074 -5.022 -27.704 642 H ASN 82 H ASN 82 -21.249 -3.278 -22.700 643 HA ASN 82 HA ASN 82 -22.720 -1.142 -21.395 644 HB2 ASN 82 HB2 ASN 82 -20.801 -3.256 -20.317 645 HB3 ASN 82 HB3 ASN 82 -21.553 -2.029 -19.309 646 HD21 ASN 82 HD21 ASN 82 -22.294 -4.855 -21.325 647 HD22 ASN 82 HD22 ASN 82 -23.909 -5.068 -20.645 648 H GLY 83 H GLY 83 -19.271 -1.506 -22.254 649 HA2 GLY 83 HA2 GLY 83 -18.344 0.821 -20.802 650 HA3 GLY 83 HA3 GLY 83 -17.522 -0.013 -22.132 651 H ARG 84 H ARG 84 -19.112 0.284 -24.287 652 HA ARG 84 HA ARG 84 -18.765 2.985 -25.156 653 HB2 ARG 84 HB2 ARG 84 -20.341 0.630 -26.249 654 HB3 ARG 84 HB3 ARG 84 -20.276 2.188 -27.085 655 HG2 ARG 84 HG2 ARG 84 -17.930 2.079 -27.433 656 HG3 ARG 84 HG3 ARG 84 -17.703 0.833 -26.215 657 HD2 ARG 84 HD2 ARG 84 -17.388 -0.141 -28.355 658 HD3 ARG 84 HD3 ARG 84 -18.847 -0.827 -27.627 659 HE ARG 84 HE ARG 84 -19.729 1.297 -29.228 660 HH11 ARG 84 HH11 ARG 84 -20.001 -0.345 -32.246 661 HH12 ARG 84 HH12 ARG 84 -20.506 1.024 -31.299 662 HH21 ARG 84 HH21 ARG 84 -18.608 -1.836 -31.443 663 HH22 ARG 84 HH22 ARG 84 -17.940 -1.689 -29.835 664 H ASN 85 H ASN 85 -21.635 1.432 -23.748 665 HA ASN 85 HA ASN 85 -23.413 3.669 -24.163 666 HB2 ASN 85 HB2 ASN 85 -23.441 1.303 -22.243 667 HB3 ASN 85 HB3 ASN 85 -24.728 2.500 -22.298 668 HD21 ASN 85 HD21 ASN 85 -25.501 -0.027 -22.719 669 HD22 ASN 85 HD22 ASN 85 -25.876 -0.258 -24.420 670 H ASN 86 H ASN 86 -20.711 3.489 -22.094 671 HA ASN 86 HA ASN 86 -21.732 5.748 -20.401 672 HB2 ASN 86 HB2 ASN 86 -19.906 3.409 -19.718 673 HB3 ASN 86 HB3 ASN 86 -20.004 4.871 -18.740 674 HD21 ASN 86 HD21 ASN 86 -21.669 1.889 -19.564 675 HD22 ASN 86 HD22 ASN 86 -22.988 2.153 -18.428 676 H LEU 87 H LEU 87 -19.253 4.696 -22.610 677 HA LEU 87 HA LEU 87 -17.185 6.553 -21.997 678 HB2 LEU 87 HB2 LEU 87 -17.007 4.472 -23.359 679 HB3 LEU 87 HB3 LEU 87 -17.998 5.217 -24.615 680 HG LEU 87 HG LEU 87 -16.216 6.885 -25.049 681 HD11 LEU 87 HD11 LEU 87 -13.959 6.533 -24.054 682 HD12 LEU 87 HD12 LEU 87 -15.140 7.025 -22.838 683 HD13 LEU 87 HD13 LEU 87 -14.644 5.320 -22.948 684 HD21 LEU 87 HD21 LEU 87 -16.269 4.754 -26.283 685 HD22 LEU 87 HD22 LEU 87 -14.610 5.327 -26.053 686 HD23 LEU 87 HD23 LEU 87 -15.236 4.002 -25.046 687 H ILE 88 H ILE 88 -20.208 6.975 -23.653 688 HA ILE 88 HA ILE 88 -19.798 9.197 -25.291 689 HB ILE 88 HB ILE 88 -22.265 9.569 -24.960 690 HG12 ILE 88 HG12 ILE 88 -22.100 7.137 -23.111 691 HG13 ILE 88 HG13 ILE 88 -22.416 8.793 -22.590 692 HG21 ILE 88 HG21 ILE 88 -21.285 8.070 -26.690 693 HG22 ILE 88 HG22 ILE 88 -21.470 6.696 -25.581 694 HG23 ILE 88 HG23 ILE 88 -22.896 7.567 -26.179 695 HD11 ILE 88 HD11 ILE 88 -24.487 7.596 -22.676 696 HD12 ILE 88 HD12 ILE 88 -24.496 8.799 -23.984 697 HD13 ILE 88 HD13 ILE 88 -24.207 7.075 -24.342 698 H GLN 89 H GLN 89 -20.223 11.310 -25.121 699 HA GLN 89 HA GLN 89 -20.215 12.617 -22.419 700 HB2 GLN 89 HB2 GLN 89 -18.460 13.323 -24.806 701 HB3 GLN 89 HB3 GLN 89 -18.576 14.257 -23.309 702 HG2 GLN 89 HG2 GLN 89 -17.724 12.317 -22.011 703 HG3 GLN 89 HG3 GLN 89 -17.596 11.383 -23.502 704 HE21 GLN 89 HE21 GLN 89 -15.364 11.090 -23.619 705 HE22 GLN 89 HE22 GLN 89 -14.238 12.439 -23.723 706 H GLN 90 H GLN 90 -22.155 12.255 -24.936 707 HA GLN 90 HA GLN 90 -22.840 14.955 -25.698 708 HB2 GLN 90 HB2 GLN 90 -24.687 13.930 -26.872 709 HB3 GLN 90 HB3 GLN 90 -23.211 13.010 -27.139 710 HG2 GLN 90 HG2 GLN 90 -23.985 11.309 -25.458 711 HG3 GLN 90 HG3 GLN 90 -25.450 12.256 -25.202 712 HE21 GLN 90 HE21 GLN 90 -27.018 10.813 -26.013 713 HE22 GLN 90 HE22 GLN 90 -26.990 10.237 -27.674 714 H LYS 91 H LYS 91 -25.082 15.805 -25.460 715 HA LYS 91 HA LYS 91 -26.396 15.326 -22.825 716 HB2 LYS 91 HB2 LYS 91 -25.540 18.070 -23.885 717 HB3 LYS 91 HB3 LYS 91 -26.651 17.797 -22.553 718 HG2 LYS 91 HG2 LYS 91 -24.791 18.147 -21.334 719 HG3 LYS 91 HG3 LYS 91 -24.669 16.397 -21.506 720 HD2 LYS 91 HD2 LYS 91 -23.079 16.794 -23.455 721 HD3 LYS 91 HD3 LYS 91 -23.186 18.528 -23.129 722 HE2 LYS 91 HE2 LYS 91 -22.242 18.228 -20.904 723 HE3 LYS 91 HE3 LYS 91 -22.338 16.467 -21.051 724 HZ1 LYS 91 HZ1 LYS 91 -20.090 17.273 -21.504 725 HZ2 LYS 91 HZ2 LYS 91 -20.723 16.553 -22.832 726 HZ3 LYS 91 HZ3 LYS 91 -20.617 18.190 -22.750 727 H ASN 92 H ASN 92 -28.550 16.216 -22.707 728 HA ASN 92 HA ASN 92 -29.955 16.885 -25.222 729 HB2 ASN 92 HB2 ASN 92 -29.898 14.393 -25.156 730 HB3 ASN 92 HB3 ASN 92 -30.610 14.417 -23.542 731 HD21 ASN 92 HD21 ASN 92 -32.160 12.947 -24.806 732 HD22 ASN 92 HD22 ASN 92 -33.511 13.761 -25.582 Start of MODEL 20 1 H MET 1 H MET 1 -3.867 16.383 -21.325 2 HA MET 1 HA MET 1 -2.995 14.237 -20.639 3 HB2 MET 1 HB2 MET 1 -1.457 15.831 -21.859 4 HB3 MET 1 HB3 MET 1 -0.737 16.256 -20.301 5 HG2 MET 1 HG2 MET 1 0.011 13.932 -20.001 6 HG3 MET 1 HG3 MET 1 -0.842 13.445 -21.471 7 HE1 MET 1 HE1 MET 1 2.171 12.698 -20.859 8 HE2 MET 1 HE2 MET 1 1.315 12.227 -22.345 9 HE3 MET 1 HE3 MET 1 2.916 12.993 -22.446 10 H ALA 2 H ALA 2 -3.290 16.505 -18.161 11 HA ALA 2 HA ALA 2 -2.317 14.606 -16.053 12 HB1 ALA 2 HB1 ALA 2 -2.404 17.650 -15.992 13 HB2 ALA 2 HB2 ALA 2 -1.798 16.586 -14.704 14 HB3 ALA 2 HB3 ALA 2 -0.952 16.657 -16.260 15 H VAL 3 H VAL 3 -5.096 15.489 -17.436 16 HA VAL 3 HA VAL 3 -6.734 15.218 -14.945 17 HB VAL 3 HB VAL 3 -8.405 16.753 -15.917 18 HG11 VAL 3 HG11 VAL 3 -6.726 17.592 -14.308 19 HG12 VAL 3 HG12 VAL 3 -5.680 18.077 -15.660 20 HG13 VAL 3 HG13 VAL 3 -7.271 18.833 -15.450 21 HG21 VAL 3 HG21 VAL 3 -7.882 18.212 -17.790 22 HG22 VAL 3 HG22 VAL 3 -6.295 17.457 -18.009 23 HG23 VAL 3 HG23 VAL 3 -7.776 16.531 -18.333 24 H SER 4 H SER 4 -5.855 13.597 -17.584 25 HA SER 4 HA SER 4 -8.524 12.353 -18.079 26 HB2 SER 4 HB2 SER 4 -7.637 11.853 -20.354 27 HB3 SER 4 HB3 SER 4 -7.753 13.588 -20.009 28 HG SER 4 HG SER 4 -5.734 12.992 -20.974 29 H VAL 5 H VAL 5 -5.675 11.716 -16.544 30 HA VAL 5 HA VAL 5 -5.934 8.757 -16.857 31 HB VAL 5 HB VAL 5 -3.475 8.542 -16.760 32 HG11 VAL 5 HG11 VAL 5 -4.372 10.237 -19.117 33 HG12 VAL 5 HG12 VAL 5 -3.012 9.101 -19.058 34 HG13 VAL 5 HG13 VAL 5 -4.671 8.496 -18.925 35 HG21 VAL 5 HG21 VAL 5 -3.378 11.558 -17.235 36 HG22 VAL 5 HG22 VAL 5 -2.908 10.747 -15.723 37 HG23 VAL 5 HG23 VAL 5 -2.007 10.437 -17.213 38 H THR 6 H THR 6 -6.909 10.689 -14.840 39 HA THR 6 HA THR 6 -5.493 10.611 -12.395 40 HB THR 6 HB THR 6 -7.769 11.070 -11.399 41 HG1 THR 6 HG1 THR 6 -9.447 11.347 -12.940 42 HG21 THR 6 HG21 THR 6 -8.126 13.207 -12.490 43 HG22 THR 6 HG22 THR 6 -6.384 12.916 -12.365 44 HG23 THR 6 HG23 THR 6 -7.212 12.692 -13.923 45 HA PRO 7 HA PRO 7 -5.955 6.500 -10.883 46 HB2 PRO 7 HB2 PRO 7 -6.245 6.786 -8.155 47 HB3 PRO 7 HB3 PRO 7 -4.718 7.054 -9.047 48 HG2 PRO 7 HG2 PRO 7 -6.764 9.125 -8.197 49 HG3 PRO 7 HG3 PRO 7 -4.985 9.168 -7.970 50 HD2 PRO 7 HD2 PRO 7 -6.159 10.475 -10.018 51 HD3 PRO 7 HD3 PRO 7 -4.614 9.610 -10.270 52 H ILE 8 H ILE 8 -8.622 8.629 -10.493 53 HA ILE 8 HA ILE 8 -10.490 6.682 -9.397 54 HB ILE 8 HB ILE 8 -12.146 8.474 -9.645 55 HG12 ILE 8 HG12 ILE 8 -9.891 10.234 -10.706 56 HG13 ILE 8 HG13 ILE 8 -11.120 9.517 -11.748 57 HG21 ILE 8 HG21 ILE 8 -11.180 9.909 -7.927 58 HG22 ILE 8 HG22 ILE 8 -10.647 8.246 -7.662 59 HG23 ILE 8 HG23 ILE 8 -9.532 9.422 -8.382 60 HD11 ILE 8 HD11 ILE 8 -11.616 11.521 -9.509 61 HD12 ILE 8 HD12 ILE 8 -11.737 11.799 -11.253 62 HD13 ILE 8 HD13 ILE 8 -12.892 10.713 -10.455 63 H ARG 9 H ARG 9 -9.272 5.736 -11.789 64 HA ARG 9 HA ARG 9 -10.817 5.884 -14.170 65 HB2 ARG 9 HB2 ARG 9 -9.356 3.487 -12.974 66 HB3 ARG 9 HB3 ARG 9 -9.930 3.592 -14.629 67 HG2 ARG 9 HG2 ARG 9 -7.732 5.317 -13.402 68 HG3 ARG 9 HG3 ARG 9 -7.529 3.927 -14.454 69 HD2 ARG 9 HD2 ARG 9 -7.268 5.637 -15.956 70 HD3 ARG 9 HD3 ARG 9 -8.979 5.234 -16.177 71 HE ARG 9 HE ARG 9 -8.438 7.345 -14.198 72 HH11 ARG 9 HH11 ARG 9 -9.425 9.907 -16.276 73 HH12 ARG 9 HH12 ARG 9 -9.037 9.476 -14.620 74 HH21 ARG 9 HH21 ARG 9 -8.833 8.634 -17.905 75 HH22 ARG 9 HH22 ARG 9 -8.671 6.912 -17.663 76 H ASP 10 H ASP 10 -12.821 5.252 -14.705 77 HA ASP 10 HA ASP 10 -14.627 4.161 -12.793 78 HB2 ASP 10 HB2 ASP 10 -15.379 5.552 -14.653 79 HB3 ASP 10 HB3 ASP 10 -14.858 4.328 -15.820 80 H THR 11 H THR 11 -15.589 2.235 -12.532 81 HA THR 11 HA THR 11 -14.683 -0.178 -14.014 82 HB THR 11 HB THR 11 -14.686 -1.448 -11.850 83 HG1 THR 11 HG1 THR 11 -14.403 -0.209 -9.964 84 HG21 THR 11 HG21 THR 11 -12.573 0.732 -12.051 85 HG22 THR 11 HG22 THR 11 -12.442 -0.788 -11.140 86 HG23 THR 11 HG23 THR 11 -12.566 -0.831 -12.905 87 H LYS 12 H LYS 12 -17.333 1.684 -13.157 88 HA LYS 12 HA LYS 12 -19.280 -0.175 -12.266 89 HB2 LYS 12 HB2 LYS 12 -19.456 2.369 -12.544 90 HB3 LYS 12 HB3 LYS 12 -19.710 2.078 -14.267 91 HG2 LYS 12 HG2 LYS 12 -21.648 0.447 -13.315 92 HG3 LYS 12 HG3 LYS 12 -21.508 1.501 -11.909 93 HD2 LYS 12 HD2 LYS 12 -22.142 2.277 -14.779 94 HD3 LYS 12 HD3 LYS 12 -23.263 2.301 -13.417 95 HE2 LYS 12 HE2 LYS 12 -22.093 4.155 -12.375 96 HE3 LYS 12 HE3 LYS 12 -20.753 4.031 -13.524 97 HZ1 LYS 12 HZ1 LYS 12 -23.523 4.783 -14.268 98 HZ2 LYS 12 HZ2 LYS 12 -22.254 5.810 -14.165 99 HZ3 LYS 12 HZ3 LYS 12 -22.260 4.631 -15.307 100 H TRP 13 H TRP 13 -18.239 0.576 -15.588 101 HA TRP 13 HA TRP 13 -20.020 -1.281 -16.887 102 HB2 TRP 13 HB2 TRP 13 -19.377 -0.207 -18.671 103 HB3 TRP 13 HB3 TRP 13 -18.436 0.856 -17.672 104 HD1 TRP 13 HD1 TRP 13 -18.088 -2.311 -19.796 105 HE1 TRP 13 HE1 TRP 13 -15.823 -2.327 -20.979 106 HE3 TRP 13 HE3 TRP 13 -15.972 1.791 -17.552 107 HZ2 TRP 13 HZ2 TRP 13 -13.398 -0.781 -20.963 108 HZ3 TRP 13 HZ3 TRP 13 -13.655 2.475 -18.161 109 HH2 TRP 13 HH2 TRP 13 -12.371 1.211 -19.856 110 H LEU 14 H LEU 14 -16.930 -1.681 -15.369 111 HA LEU 14 HA LEU 14 -16.303 -4.235 -16.691 112 HB2 LEU 14 HB2 LEU 14 -14.885 -2.548 -14.583 113 HB3 LEU 14 HB3 LEU 14 -14.210 -4.006 -15.269 114 HG LEU 14 HG LEU 14 -14.905 -1.510 -16.881 115 HD11 LEU 14 HD11 LEU 14 -12.213 -2.548 -15.918 116 HD12 LEU 14 HD12 LEU 14 -12.493 -1.142 -16.979 117 HD13 LEU 14 HD13 LEU 14 -13.053 -1.109 -15.307 118 HD21 LEU 14 HD21 LEU 14 -13.519 -2.554 -18.640 119 HD22 LEU 14 HD22 LEU 14 -13.306 -3.996 -17.640 120 HD23 LEU 14 HD23 LEU 14 -14.917 -3.566 -18.274 121 H THR 15 H THR 15 -17.883 -3.267 -13.760 122 HA THR 15 HA THR 15 -17.141 -5.617 -12.209 123 HB THR 15 HB THR 15 -19.339 -3.659 -11.554 124 HG1 THR 15 HG1 THR 15 -17.301 -2.615 -11.869 125 HG21 THR 15 HG21 THR 15 -18.607 -4.248 -9.203 126 HG22 THR 15 HG22 THR 15 -19.427 -5.544 -10.080 127 HG23 THR 15 HG23 THR 15 -17.653 -5.576 -9.892 128 H LEU 16 H LEU 16 -17.666 -7.157 -13.806 129 HA LEU 16 HA LEU 16 -20.365 -7.779 -14.658 130 HB2 LEU 16 HB2 LEU 16 -18.092 -8.144 -15.808 131 HB3 LEU 16 HB3 LEU 16 -17.852 -9.496 -14.725 132 HG LEU 16 HG LEU 16 -19.629 -10.749 -15.741 133 HD11 LEU 16 HD11 LEU 16 -21.397 -9.093 -16.069 134 HD12 LEU 16 HD12 LEU 16 -20.393 -8.210 -17.251 135 HD13 LEU 16 HD13 LEU 16 -21.018 -9.834 -17.614 136 HD21 LEU 16 HD21 LEU 16 -18.048 -9.179 -17.835 137 HD22 LEU 16 HD22 LEU 16 -17.555 -10.694 -17.043 138 HD23 LEU 16 HD23 LEU 16 -18.940 -10.654 -18.151 139 H GLU 17 H GLU 17 -21.678 -9.600 -14.001 140 HA GLU 17 HA GLU 17 -21.412 -10.337 -11.202 141 HB2 GLU 17 HB2 GLU 17 -23.273 -11.552 -13.262 142 HB3 GLU 17 HB3 GLU 17 -23.376 -11.645 -11.497 143 HG2 GLU 17 HG2 GLU 17 -23.372 -8.944 -11.822 144 HG3 GLU 17 HG3 GLU 17 -24.092 -9.422 -13.361 145 H VAL 18 H VAL 18 -21.139 -12.393 -10.262 146 HA VAL 18 HA VAL 18 -19.343 -14.194 -11.758 147 HB VAL 18 HB VAL 18 -19.046 -15.427 -9.744 148 HG11 VAL 18 HG11 VAL 18 -19.014 -12.471 -9.035 149 HG12 VAL 18 HG12 VAL 18 -18.059 -13.766 -8.289 150 HG13 VAL 18 HG13 VAL 18 -17.782 -13.343 -9.984 151 HG21 VAL 18 HG21 VAL 18 -21.261 -13.778 -8.477 152 HG22 VAL 18 HG22 VAL 18 -21.232 -15.527 -8.734 153 HG23 VAL 18 HG23 VAL 18 -20.117 -14.794 -7.580 154 H CYS 19 H CYS 19 -19.729 -16.460 -12.073 155 HA CYS 19 HA CYS 19 -22.488 -17.096 -12.722 156 HB2 CYS 19 HB2 CYS 19 -20.542 -17.923 -14.034 157 HB3 CYS 19 HB3 CYS 19 -20.048 -18.903 -12.641 158 H ARG 20 H ARG 20 -23.894 -18.302 -11.586 159 HA ARG 20 HA ARG 20 -23.593 -18.562 -8.703 160 HB2 ARG 20 HB2 ARG 20 -25.807 -19.470 -10.597 161 HB3 ARG 20 HB3 ARG 20 -25.879 -19.551 -8.843 162 HG2 ARG 20 HG2 ARG 20 -27.126 -17.661 -9.525 163 HG3 ARG 20 HG3 ARG 20 -25.682 -17.072 -8.703 164 HD2 ARG 20 HD2 ARG 20 -24.694 -16.341 -10.759 165 HD3 ARG 20 HD3 ARG 20 -25.853 -17.268 -11.733 166 HE ARG 20 HE ARG 20 -27.613 -15.696 -10.730 167 HH11 ARG 20 HH11 ARG 20 -26.967 -12.394 -11.451 168 HH12 ARG 20 HH12 ARG 20 -28.222 -13.573 -11.075 169 HH21 ARG 20 HH21 ARG 20 -25.031 -12.845 -11.639 170 HH22 ARG 20 HH22 ARG 20 -24.323 -14.441 -11.373 171 H GLU 21 H GLU 21 -23.678 -20.923 -11.364 172 HA GLU 21 HA GLU 21 -23.622 -23.273 -9.631 173 HB2 GLU 21 HB2 GLU 21 -22.948 -22.968 -12.565 174 HB3 GLU 21 HB3 GLU 21 -23.248 -24.487 -11.716 175 HG2 GLU 21 HG2 GLU 21 -25.290 -22.254 -12.173 176 HG3 GLU 21 HG3 GLU 21 -25.197 -23.767 -13.061 177 H PHE 22 H PHE 22 -21.176 -21.298 -11.251 178 HA PHE 22 HA PHE 22 -18.904 -22.965 -10.790 179 HB2 PHE 22 HB2 PHE 22 -19.032 -21.055 -12.339 180 HB3 PHE 22 HB3 PHE 22 -19.186 -19.957 -10.985 181 HD1 PHE 22 HD1 PHE 22 -17.244 -19.059 -9.929 182 HD2 PHE 22 HD2 PHE 22 -16.889 -22.434 -12.587 183 HE1 PHE 22 HE1 PHE 22 -14.769 -18.840 -9.880 184 HE2 PHE 22 HE2 PHE 22 -14.410 -22.216 -12.532 185 HZ PHE 22 HZ PHE 22 -13.355 -20.408 -11.189 186 H GLN 23 H GLN 23 -20.734 -20.862 -8.625 187 HA GLN 23 HA GLN 23 -18.740 -20.543 -6.589 188 HB2 GLN 23 HB2 GLN 23 -21.751 -20.715 -6.143 189 HB3 GLN 23 HB3 GLN 23 -20.559 -20.084 -5.020 190 HG2 GLN 23 HG2 GLN 23 -21.462 -18.866 -7.626 191 HG3 GLN 23 HG3 GLN 23 -21.620 -18.201 -6.016 192 HE21 GLN 23 HE21 GLN 23 -19.831 -17.963 -8.830 193 HE22 GLN 23 HE22 GLN 23 -18.374 -17.227 -8.139 194 H ARG 24 H ARG 24 -20.537 -23.359 -7.460 195 HA ARG 24 HA ARG 24 -19.504 -24.841 -5.057 196 HB2 ARG 24 HB2 ARG 24 -21.974 -25.552 -6.684 197 HB3 ARG 24 HB3 ARG 24 -21.361 -26.372 -5.258 198 HG2 ARG 24 HG2 ARG 24 -22.867 -25.167 -4.119 199 HG3 ARG 24 HG3 ARG 24 -21.675 -23.876 -4.204 200 HD2 ARG 24 HD2 ARG 24 -23.818 -22.975 -4.847 201 HD3 ARG 24 HD3 ARG 24 -22.820 -23.055 -6.307 202 HE ARG 24 HE ARG 24 -24.471 -25.436 -5.875 203 HH11 ARG 24 HH11 ARG 24 -26.442 -24.684 -8.613 204 HH12 ARG 24 HH12 ARG 24 -25.998 -25.946 -7.477 205 HH21 ARG 24 HH21 ARG 24 -25.777 -22.787 -8.511 206 HH22 ARG 24 HH22 ARG 24 -24.554 -22.229 -7.371 207 H GLY 25 H GLY 25 -18.449 -24.243 -7.926 208 HA2 GLY 25 HA2 GLY 25 -17.145 -25.289 -9.482 209 HA3 GLY 25 HA3 GLY 25 -16.870 -26.548 -8.272 210 H THR 26 H THR 26 -19.996 -25.728 -9.811 211 HA THR 26 HA THR 26 -19.982 -28.379 -11.205 212 HB THR 26 HB THR 26 -21.153 -28.444 -9.041 213 HG1 THR 26 HG1 THR 26 -22.702 -28.816 -11.366 214 HG21 THR 26 HG21 THR 26 -23.385 -27.467 -8.800 215 HG22 THR 26 HG22 THR 26 -22.143 -26.219 -8.919 216 HG23 THR 26 HG23 THR 26 -23.182 -26.568 -10.319 217 H CYS 27 H CYS 27 -19.757 -25.367 -12.103 218 HA CYS 27 HA CYS 27 -21.992 -24.905 -13.814 219 HB2 CYS 27 HB2 CYS 27 -20.349 -23.176 -13.037 220 HB3 CYS 27 HB3 CYS 27 -19.130 -23.886 -14.107 221 H SER 28 H SER 28 -22.423 -25.444 -15.878 222 HA SER 28 HA SER 28 -21.249 -27.841 -17.006 223 HB2 SER 28 HB2 SER 28 -23.392 -25.995 -18.116 224 HB3 SER 28 HB3 SER 28 -23.028 -27.636 -18.679 225 HG SER 28 HG SER 28 -24.798 -27.599 -17.218 226 H ARG 29 H ARG 29 -20.171 -24.664 -17.381 227 HA ARG 29 HA ARG 29 -18.987 -25.189 -20.100 228 HB2 ARG 29 HB2 ARG 29 -20.335 -22.693 -19.005 229 HB3 ARG 29 HB3 ARG 29 -19.293 -22.708 -20.419 230 HG2 ARG 29 HG2 ARG 29 -20.819 -24.338 -21.537 231 HG3 ARG 29 HG3 ARG 29 -21.912 -24.248 -20.133 232 HD2 ARG 29 HD2 ARG 29 -22.181 -21.823 -20.476 233 HD3 ARG 29 HD3 ARG 29 -21.031 -21.890 -21.824 234 HE ARG 29 HE ARG 29 -23.380 -23.623 -22.110 235 HH11 ARG 29 HH11 ARG 29 -24.749 -21.711 -24.619 236 HH12 ARG 29 HH12 ARG 29 -24.830 -23.204 -23.733 237 HH21 ARG 29 HH21 ARG 29 -23.247 -20.190 -24.144 238 HH22 ARG 29 HH22 ARG 29 -22.026 -20.465 -22.926 239 HA PRO 30 HA PRO 30 -15.212 -23.753 -18.076 240 HB2 PRO 30 HB2 PRO 30 -13.694 -23.040 -20.235 241 HB3 PRO 30 HB3 PRO 30 -14.057 -24.747 -19.839 242 HG2 PRO 30 HG2 PRO 30 -15.479 -22.952 -21.826 243 HG3 PRO 30 HG3 PRO 30 -14.864 -24.614 -22.088 244 HD2 PRO 30 HD2 PRO 30 -17.480 -24.160 -21.474 245 HD3 PRO 30 HD3 PRO 30 -16.609 -25.567 -20.816 246 H ASP 31 H ASP 31 -13.936 -21.681 -17.925 247 HA ASP 31 HA ASP 31 -15.555 -19.411 -17.559 248 HB2 ASP 31 HB2 ASP 31 -13.500 -18.188 -17.223 249 HB3 ASP 31 HB3 ASP 31 -13.401 -19.765 -16.442 250 H THR 32 H THR 32 -13.935 -20.428 -20.491 251 HA THR 32 HA THR 32 -14.151 -17.909 -21.907 252 HB THR 32 HB THR 32 -13.576 -19.431 -23.904 253 HG1 THR 32 HG1 THR 32 -12.792 -21.461 -23.310 254 HG21 THR 32 HG21 THR 32 -11.245 -19.661 -23.229 255 HG22 THR 32 HG22 THR 32 -11.892 -18.100 -22.701 256 HG23 THR 32 HG23 THR 32 -11.683 -19.417 -21.522 257 H GLU 33 H GLU 33 -16.531 -20.247 -21.196 258 HA GLU 33 HA GLU 33 -18.131 -19.600 -23.668 259 HB2 GLU 33 HB2 GLU 33 -17.645 -22.103 -22.073 260 HB3 GLU 33 HB3 GLU 33 -19.090 -22.008 -23.024 261 HG2 GLU 33 HG2 GLU 33 -16.292 -21.582 -24.169 262 HG3 GLU 33 HG3 GLU 33 -17.094 -23.150 -24.106 263 H CYS 34 H CYS 34 -18.301 -19.617 -20.144 264 HA CYS 34 HA CYS 34 -21.132 -19.901 -20.006 265 HB2 CYS 34 HB2 CYS 34 -19.358 -20.356 -18.222 266 HB3 CYS 34 HB3 CYS 34 -19.406 -18.625 -17.869 267 H LYS 35 H LYS 35 -22.435 -18.340 -18.758 268 HA LYS 35 HA LYS 35 -22.812 -15.831 -20.322 269 HB2 LYS 35 HB2 LYS 35 -24.612 -17.354 -18.393 270 HB3 LYS 35 HB3 LYS 35 -25.048 -15.829 -19.177 271 HG2 LYS 35 HG2 LYS 35 -24.692 -16.875 -21.412 272 HG3 LYS 35 HG3 LYS 35 -24.375 -18.431 -20.620 273 HD2 LYS 35 HD2 LYS 35 -26.641 -18.423 -19.645 274 HD3 LYS 35 HD3 LYS 35 -26.962 -16.829 -20.372 275 HE2 LYS 35 HE2 LYS 35 -26.555 -17.783 -22.628 276 HE3 LYS 35 HE3 LYS 35 -26.266 -19.372 -21.908 277 HZ1 LYS 35 HZ1 LYS 35 -28.557 -19.167 -22.704 278 HZ2 LYS 35 HZ2 LYS 35 -28.567 -19.340 -21.083 279 HZ3 LYS 35 HZ3 LYS 35 -28.833 -17.873 -21.752 280 H PHE 36 H PHE 36 -21.348 -16.642 -17.418 281 HA PHE 36 HA PHE 36 -21.367 -13.830 -16.464 282 HB2 PHE 36 HB2 PHE 36 -21.887 -16.248 -14.719 283 HB3 PHE 36 HB3 PHE 36 -21.631 -14.609 -14.132 284 HD1 PHE 36 HD1 PHE 36 -24.112 -16.973 -14.706 285 HD2 PHE 36 HD2 PHE 36 -23.277 -12.780 -15.260 286 HE1 PHE 36 HE1 PHE 36 -26.548 -16.480 -14.662 287 HE2 PHE 36 HE2 PHE 36 -25.713 -12.287 -15.205 288 HZ PHE 36 HZ PHE 36 -27.350 -14.137 -14.906 289 H ALA 37 H ALA 37 -19.611 -13.591 -14.666 290 HA ALA 37 HA ALA 37 -17.142 -14.545 -15.880 291 HB1 ALA 37 HB1 ALA 37 -17.720 -12.753 -13.502 292 HB2 ALA 37 HB2 ALA 37 -16.127 -12.979 -14.270 293 HB3 ALA 37 HB3 ALA 37 -17.451 -12.217 -15.170 294 H HIS 38 H HIS 38 -15.524 -15.767 -14.972 295 HA HIS 38 HA HIS 38 -16.162 -17.481 -12.598 296 HB2 HIS 38 HB2 HIS 38 -14.873 -18.145 -15.260 297 HB3 HIS 38 HB3 HIS 38 -14.666 -19.146 -13.835 298 HD1 HIS 38 HD1 HIS 38 -15.781 -21.127 -15.297 299 HD2 HIS 38 HD2 HIS 38 -18.273 -17.898 -14.297 300 HE1 HIS 38 HE1 HIS 38 -18.177 -21.903 -15.701 301 HA PRO 39 HA PRO 39 -12.306 -15.102 -11.573 302 HB2 PRO 39 HB2 PRO 39 -12.627 -15.122 -8.820 303 HB3 PRO 39 HB3 PRO 39 -13.404 -13.954 -9.909 304 HG2 PRO 39 HG2 PRO 39 -14.546 -16.502 -8.763 305 HG3 PRO 39 HG3 PRO 39 -15.298 -14.876 -8.811 306 HD2 PRO 39 HD2 PRO 39 -15.915 -16.782 -10.638 307 HD3 PRO 39 HD3 PRO 39 -15.769 -15.070 -11.128 308 H SER 40 H SER 40 -10.507 -15.531 -10.003 309 HA SER 40 HA SER 40 -10.045 -18.405 -9.353 310 HB2 SER 40 HB2 SER 40 -7.788 -18.312 -10.119 311 HB3 SER 40 HB3 SER 40 -8.825 -17.809 -11.470 312 HG SER 40 HG SER 40 -8.169 -15.723 -11.181 313 H LYS 41 H LYS 41 -7.835 -18.425 -8.049 314 HA LYS 41 HA LYS 41 -8.288 -17.518 -5.454 315 HB2 LYS 41 HB2 LYS 41 -5.749 -18.285 -6.941 316 HB3 LYS 41 HB3 LYS 41 -5.779 -17.974 -5.195 317 HG2 LYS 41 HG2 LYS 41 -7.457 -19.775 -4.883 318 HG3 LYS 41 HG3 LYS 41 -7.468 -20.079 -6.618 319 HD2 LYS 41 HD2 LYS 41 -6.091 -21.755 -5.559 320 HD3 LYS 41 HD3 LYS 41 -5.093 -20.717 -6.567 321 HE2 LYS 41 HE2 LYS 41 -3.884 -21.163 -4.551 322 HE3 LYS 41 HE3 LYS 41 -4.347 -19.464 -4.534 323 HZ1 LYS 41 HZ1 LYS 41 -5.755 -21.636 -3.063 324 HZ2 LYS 41 HZ2 LYS 41 -4.749 -20.547 -2.388 325 HZ3 LYS 41 HZ3 LYS 41 -6.172 -20.055 -3.012 326 H SER 42 H SER 42 -6.637 -15.669 -7.992 327 HA SER 42 HA SER 42 -5.721 -13.626 -6.047 328 HB2 SER 42 HB2 SER 42 -5.434 -13.680 -9.067 329 HB3 SER 42 HB3 SER 42 -4.577 -12.621 -7.932 330 HG SER 42 HG SER 42 -3.533 -14.447 -7.080 331 H CYS 43 H CYS 43 -8.369 -13.990 -8.361 332 HA CYS 43 HA CYS 43 -8.884 -11.275 -8.910 333 HB2 CYS 43 HB2 CYS 43 -10.844 -13.609 -8.838 334 HB3 CYS 43 HB3 CYS 43 -11.074 -12.077 -9.686 335 HG CYS 43 HG CYS 43 -8.883 -12.316 -11.213 336 H GLN 44 H GLN 44 -10.226 -9.742 -8.144 337 HA GLN 44 HA GLN 44 -11.079 -9.857 -5.322 338 HB2 GLN 44 HB2 GLN 44 -11.000 -7.728 -7.496 339 HB3 GLN 44 HB3 GLN 44 -11.745 -7.429 -5.916 340 HG2 GLN 44 HG2 GLN 44 -9.722 -7.750 -4.742 341 HG3 GLN 44 HG3 GLN 44 -8.911 -8.481 -6.129 342 HE21 GLN 44 HE21 GLN 44 -8.973 -6.907 -8.204 343 HE22 GLN 44 HE22 GLN 44 -8.469 -5.261 -7.823 344 H VAL 45 H VAL 45 -13.088 -10.116 -4.611 345 HA VAL 45 HA VAL 45 -15.372 -10.099 -6.531 346 HB VAL 45 HB VAL 45 -15.098 -12.027 -4.202 347 HG11 VAL 45 HG11 VAL 45 -16.960 -12.020 -6.611 348 HG12 VAL 45 HG12 VAL 45 -16.895 -13.279 -5.363 349 HG13 VAL 45 HG13 VAL 45 -17.410 -11.648 -4.935 350 HG21 VAL 45 HG21 VAL 45 -13.324 -12.661 -5.787 351 HG22 VAL 45 HG22 VAL 45 -14.614 -13.858 -5.719 352 HG23 VAL 45 HG23 VAL 45 -14.524 -12.751 -7.092 353 H GLU 46 H GLU 46 -17.182 -9.051 -5.834 354 HA GLU 46 HA GLU 46 -17.619 -8.434 -2.960 355 HB2 GLU 46 HB2 GLU 46 -17.416 -6.300 -5.134 356 HB3 GLU 46 HB3 GLU 46 -18.130 -6.054 -3.538 357 HG2 GLU 46 HG2 GLU 46 -15.924 -6.693 -2.503 358 HG3 GLU 46 HG3 GLU 46 -15.220 -6.717 -4.126 359 H ASN 47 H ASN 47 -19.709 -8.593 -2.446 360 HA ASN 47 HA ASN 47 -21.877 -9.219 -2.613 361 HB2 ASN 47 HB2 ASN 47 -21.660 -6.670 -2.636 362 HB3 ASN 47 HB3 ASN 47 -22.008 -6.756 -4.368 363 HD21 ASN 47 HD21 ASN 47 -23.978 -5.563 -4.158 364 HD22 ASN 47 HD22 ASN 47 -25.380 -6.265 -3.363 365 H GLY 48 H GLY 48 -20.558 -10.797 -4.564 366 HA2 GLY 48 HA2 GLY 48 -21.392 -12.405 -6.057 367 HA3 GLY 48 HA3 GLY 48 -22.866 -11.452 -6.271 368 H ARG 49 H ARG 49 -19.925 -9.691 -6.729 369 HA ARG 49 HA ARG 49 -19.888 -10.100 -9.675 370 HB2 ARG 49 HB2 ARG 49 -19.930 -7.333 -8.396 371 HB3 ARG 49 HB3 ARG 49 -19.904 -7.749 -10.112 372 HG2 ARG 49 HG2 ARG 49 -22.149 -8.881 -9.797 373 HG3 ARG 49 HG3 ARG 49 -22.204 -8.200 -8.168 374 HD2 ARG 49 HD2 ARG 49 -22.183 -5.948 -9.033 375 HD3 ARG 49 HD3 ARG 49 -21.886 -6.527 -10.685 376 HE ARG 49 HE ARG 49 -24.195 -7.826 -10.142 377 HH11 ARG 49 HH11 ARG 49 -26.694 -5.608 -10.445 378 HH12 ARG 49 HH12 ARG 49 -26.139 -7.281 -10.529 379 HH21 ARG 49 HH21 ARG 49 -25.196 -3.988 -9.995 380 HH22 ARG 49 HH22 ARG 49 -23.527 -4.402 -9.713 381 H VAL 50 H VAL 50 -18.061 -9.216 -10.708 382 HA VAL 50 HA VAL 50 -15.530 -9.030 -9.134 383 HB VAL 50 HB VAL 50 -14.538 -10.507 -10.951 384 HG11 VAL 50 HG11 VAL 50 -14.658 -11.332 -8.744 385 HG12 VAL 50 HG12 VAL 50 -16.393 -11.683 -8.872 386 HG13 VAL 50 HG13 VAL 50 -15.217 -12.630 -9.799 387 HG21 VAL 50 HG21 VAL 50 -16.412 -10.635 -12.551 388 HG22 VAL 50 HG22 VAL 50 -15.966 -12.243 -11.951 389 HG23 VAL 50 HG23 VAL 50 -17.417 -11.448 -11.338 390 H ILE 51 H ILE 51 -13.942 -7.747 -10.161 391 HA ILE 51 HA ILE 51 -15.019 -6.028 -12.332 392 HB ILE 51 HB ILE 51 -12.557 -5.590 -10.622 393 HG12 ILE 51 HG12 ILE 51 -15.459 -4.813 -10.267 394 HG13 ILE 51 HG13 ILE 51 -14.409 -5.680 -9.146 395 HG21 ILE 51 HG21 ILE 51 -12.738 -3.276 -11.451 396 HG22 ILE 51 HG22 ILE 51 -12.605 -4.360 -12.820 397 HG23 ILE 51 HG23 ILE 51 -14.195 -3.697 -12.382 398 HD11 ILE 51 HD11 ILE 51 -14.292 -2.724 -9.796 399 HD12 ILE 51 HD12 ILE 51 -14.826 -3.491 -8.300 400 HD13 ILE 51 HD13 ILE 51 -13.110 -3.590 -8.774 401 H ALA 52 H ALA 52 -14.399 -6.165 -14.375 402 HA ALA 52 HA ALA 52 -12.476 -8.111 -15.276 403 HB1 ALA 52 HB1 ALA 52 -14.488 -7.637 -16.549 404 HB2 ALA 52 HB2 ALA 52 -14.014 -5.942 -16.746 405 HB3 ALA 52 HB3 ALA 52 -13.063 -7.227 -17.523 406 H CYS 53 H CYS 53 -10.525 -7.832 -16.343 407 HA CYS 53 HA CYS 53 -8.810 -5.827 -15.252 408 HB2 CYS 53 HB2 CYS 53 -8.182 -8.190 -15.689 409 HB3 CYS 53 HB3 CYS 53 -8.230 -7.869 -17.423 410 H PHE 54 H PHE 54 -9.158 -3.812 -15.826 411 HA PHE 54 HA PHE 54 -9.738 -2.823 -18.458 412 HB2 PHE 54 HB2 PHE 54 -9.005 -0.637 -17.565 413 HB3 PHE 54 HB3 PHE 54 -10.218 -1.423 -16.576 414 HD1 PHE 54 HD1 PHE 54 -9.716 -2.200 -14.302 415 HD2 PHE 54 HD2 PHE 54 -6.686 -0.359 -16.763 416 HE1 PHE 54 HE1 PHE 54 -8.245 -1.964 -12.320 417 HE2 PHE 54 HE2 PHE 54 -5.200 -0.163 -14.801 418 HZ PHE 54 HZ PHE 54 -5.979 -0.948 -12.558 419 H ASP 55 H ASP 55 -6.669 -3.454 -16.749 420 HA ASP 55 HA ASP 55 -4.919 -2.306 -18.713 421 HB2 ASP 55 HB2 ASP 55 -4.463 -4.596 -16.769 422 HB3 ASP 55 HB3 ASP 55 -3.218 -3.889 -17.786 423 H SER 56 H SER 56 -6.261 -5.684 -18.427 424 HA SER 56 HA SER 56 -4.929 -6.648 -20.773 425 HB2 SER 56 HB2 SER 56 -5.869 -8.121 -19.084 426 HB3 SER 56 HB3 SER 56 -7.515 -7.604 -19.486 427 HG SER 56 HG SER 56 -6.746 -9.598 -20.510 428 H LEU 57 H LEU 57 -8.156 -5.135 -20.354 429 HA LEU 57 HA LEU 57 -9.003 -5.341 -23.087 430 HB2 LEU 57 HB2 LEU 57 -9.723 -3.564 -20.739 431 HB3 LEU 57 HB3 LEU 57 -10.437 -3.265 -22.317 432 HG LEU 57 HG LEU 57 -10.609 -5.976 -20.946 433 HD11 LEU 57 HD11 LEU 57 -12.612 -3.680 -20.901 434 HD12 LEU 57 HD12 LEU 57 -12.885 -5.318 -20.263 435 HD13 LEU 57 HD13 LEU 57 -11.662 -4.278 -19.520 436 HD21 LEU 57 HD21 LEU 57 -12.183 -4.665 -23.218 437 HD22 LEU 57 HD22 LEU 57 -11.075 -6.047 -23.365 438 HD23 LEU 57 HD23 LEU 57 -12.594 -6.221 -22.478 439 H LYS 58 H LYS 58 -7.131 -2.781 -21.435 440 HA LYS 58 HA LYS 58 -6.978 -1.115 -23.866 441 HB2 LYS 58 HB2 LYS 58 -5.682 -0.875 -21.118 442 HB3 LYS 58 HB3 LYS 58 -5.531 0.328 -22.386 443 HG2 LYS 58 HG2 LYS 58 -8.128 -0.498 -21.024 444 HG3 LYS 58 HG3 LYS 58 -7.208 0.962 -20.705 445 HD2 LYS 58 HD2 LYS 58 -8.695 0.268 -23.273 446 HD3 LYS 58 HD3 LYS 58 -9.180 1.434 -22.039 447 HE2 LYS 58 HE2 LYS 58 -7.130 2.779 -22.505 448 HE3 LYS 58 HE3 LYS 58 -6.667 1.631 -23.768 449 HZ1 LYS 58 HZ1 LYS 58 -9.146 3.271 -23.787 450 HZ2 LYS 58 HZ2 LYS 58 -7.824 3.544 -24.703 451 HZ3 LYS 58 HZ3 LYS 58 -8.721 2.205 -24.952 452 H GLY 59 H GLY 59 -5.233 -3.817 -22.850 453 HA2 GLY 59 HA2 GLY 59 -3.488 -4.882 -23.964 454 HA3 GLY 59 HA3 GLY 59 -3.249 -3.465 -24.988 455 H ARG 60 H ARG 60 -3.190 -3.612 -21.440 456 HA ARG 60 HA ARG 60 -0.303 -2.802 -21.385 457 HB2 ARG 60 HB2 ARG 60 -2.026 -1.020 -20.880 458 HB3 ARG 60 HB3 ARG 60 -2.570 -1.968 -19.507 459 HG2 ARG 60 HG2 ARG 60 -1.104 -0.107 -18.854 460 HG3 ARG 60 HG3 ARG 60 -0.466 -1.662 -18.353 461 HD2 ARG 60 HD2 ARG 60 1.314 -0.203 -19.172 462 HD3 ARG 60 HD3 ARG 60 1.164 -1.636 -20.193 463 HE ARG 60 HE ARG 60 -0.403 0.579 -21.222 464 HH11 ARG 60 HH11 ARG 60 1.858 1.506 -23.642 465 HH12 ARG 60 HH12 ARG 60 0.217 1.628 -23.082 466 HH21 ARG 60 HH21 ARG 60 2.914 -0.542 -21.103 467 HH22 ARG 60 HH22 ARG 60 3.349 0.305 -22.563 468 H CYS 61 H CYS 61 -2.625 -5.078 -20.048 469 HA CYS 61 HA CYS 61 -1.226 -5.642 -17.646 470 HB2 CYS 61 HB2 CYS 61 -3.637 -6.194 -18.263 471 HB3 CYS 61 HB3 CYS 61 -3.020 -7.612 -19.105 472 H SER 62 H SER 62 0.106 -7.205 -17.018 473 HA SER 62 HA SER 62 1.356 -9.184 -18.796 474 HB2 SER 62 HB2 SER 62 3.646 -8.349 -18.435 475 HB3 SER 62 HB3 SER 62 2.658 -7.160 -19.291 476 HG SER 62 HG SER 62 3.886 -6.204 -17.598 477 H ARG 63 H ARG 63 -0.035 -8.659 -15.975 478 HA ARG 63 HA ARG 63 1.763 -9.633 -13.950 479 HB2 ARG 63 HB2 ARG 63 -1.271 -9.385 -14.153 480 HB3 ARG 63 HB3 ARG 63 -0.448 -9.901 -12.681 481 HG2 ARG 63 HG2 ARG 63 0.781 -7.788 -12.558 482 HG3 ARG 63 HG3 ARG 63 0.002 -7.206 -14.037 483 HD2 ARG 63 HD2 ARG 63 -1.537 -8.063 -11.548 484 HD3 ARG 63 HD3 ARG 63 -0.994 -6.410 -11.813 485 HE ARG 63 HE ARG 63 -3.080 -7.859 -13.428 486 HH11 ARG 63 HH11 ARG 63 -4.260 -5.044 -14.812 487 HH12 ARG 63 HH12 ARG 63 -4.365 -6.788 -14.710 488 HH21 ARG 63 HH21 ARG 63 -2.792 -3.956 -13.870 489 HH22 ARG 63 HH22 ARG 63 -1.533 -4.700 -12.873 490 H GLU 64 H GLU 64 1.453 -11.470 -12.652 491 HA GLU 64 HA GLU 64 0.526 -13.972 -14.013 492 HB2 GLU 64 HB2 GLU 64 2.395 -15.166 -13.058 493 HB3 GLU 64 HB3 GLU 64 2.971 -13.826 -14.044 494 HG2 GLU 64 HG2 GLU 64 3.381 -12.480 -11.988 495 HG3 GLU 64 HG3 GLU 64 2.794 -13.813 -10.995 496 H ASN 65 H ASN 65 -0.380 -11.948 -11.779 497 HA ASN 65 HA ASN 65 -1.885 -13.856 -10.154 498 HB2 ASN 65 HB2 ASN 65 0.597 -12.656 -9.191 499 HB3 ASN 65 HB3 ASN 65 -0.723 -11.956 -8.288 500 HD21 ASN 65 HD21 ASN 65 0.074 -15.241 -9.569 501 HD22 ASN 65 HD22 ASN 65 -0.232 -16.046 -8.025 502 H CYS 66 H CYS 66 -2.525 -12.007 -12.239 503 HA CYS 66 HA CYS 66 -3.344 -9.477 -11.542 504 HB2 CYS 66 HB2 CYS 66 -3.177 -10.643 -13.807 505 HB3 CYS 66 HB3 CYS 66 -4.792 -11.298 -13.495 506 H LYS 67 H LYS 67 -4.838 -8.614 -10.335 507 HA LYS 67 HA LYS 67 -6.702 -10.284 -8.808 508 HB2 LYS 67 HB2 LYS 67 -6.455 -7.290 -8.578 509 HB3 LYS 67 HB3 LYS 67 -7.009 -8.467 -7.372 510 HG2 LYS 67 HG2 LYS 67 -4.622 -9.414 -7.420 511 HG3 LYS 67 HG3 LYS 67 -4.178 -7.964 -8.339 512 HD2 LYS 67 HD2 LYS 67 -5.367 -8.057 -5.527 513 HD3 LYS 67 HD3 LYS 67 -3.690 -7.680 -5.944 514 HE2 LYS 67 HE2 LYS 67 -4.461 -5.661 -7.192 515 HE3 LYS 67 HE3 LYS 67 -6.136 -6.032 -6.751 516 HZ1 LYS 67 HZ1 LYS 67 -5.169 -4.401 -5.240 517 HZ2 LYS 67 HZ2 LYS 67 -5.518 -5.761 -4.413 518 HZ3 LYS 67 HZ3 LYS 67 -3.969 -5.421 -4.812 519 H TYR 68 H TYR 68 -7.057 -9.215 -11.744 520 HA TYR 68 HA TYR 68 -9.963 -8.557 -11.500 521 HB2 TYR 68 HB2 TYR 68 -7.899 -7.403 -13.406 522 HB3 TYR 68 HB3 TYR 68 -9.622 -7.069 -13.415 523 HD1 TYR 68 HD1 TYR 68 -6.438 -6.481 -11.620 524 HD2 TYR 68 HD2 TYR 68 -10.662 -5.612 -11.749 525 HE1 TYR 68 HE1 TYR 68 -6.114 -4.643 -9.970 526 HE2 TYR 68 HE2 TYR 68 -10.337 -3.767 -10.110 527 HH TYR 68 HH TYR 68 -8.836 -2.625 -8.796 528 H LEU 69 H LEU 69 -11.252 -9.116 -13.325 529 HA LEU 69 HA LEU 69 -10.636 -11.791 -14.314 530 HB2 LEU 69 HB2 LEU 69 -13.004 -9.934 -14.264 531 HB3 LEU 69 HB3 LEU 69 -12.990 -11.151 -15.519 532 HG LEU 69 HG LEU 69 -14.221 -11.724 -13.438 533 HD11 LEU 69 HD11 LEU 69 -13.516 -14.048 -13.395 534 HD12 LEU 69 HD12 LEU 69 -13.480 -13.442 -15.056 535 HD13 LEU 69 HD13 LEU 69 -11.963 -13.639 -14.154 536 HD21 LEU 69 HD21 LEU 69 -12.500 -10.819 -11.822 537 HD22 LEU 69 HD22 LEU 69 -13.080 -12.458 -11.467 538 HD23 LEU 69 HD23 LEU 69 -11.490 -12.221 -12.212 539 H HIS 70 H HIS 70 -9.411 -12.163 -16.079 540 HA HIS 70 HA HIS 70 -9.170 -10.243 -18.270 541 HB2 HIS 70 HB2 HIS 70 -8.279 -13.104 -17.869 542 HB3 HIS 70 HB3 HIS 70 -8.206 -12.331 -19.451 543 HD1 HIS 70 HD1 HIS 70 -5.515 -12.291 -19.462 544 HD2 HIS 70 HD2 HIS 70 -7.417 -10.113 -16.402 545 HE1 HIS 70 HE1 HIS 70 -3.792 -10.641 -18.544 546 HA PRO 71 HA PRO 71 -13.289 -11.303 -19.360 547 HB2 PRO 71 HB2 PRO 71 -13.756 -9.759 -21.543 548 HB3 PRO 71 HB3 PRO 71 -13.534 -9.143 -19.878 549 HG2 PRO 71 HG2 PRO 71 -11.420 -9.303 -22.043 550 HG3 PRO 71 HG3 PRO 71 -11.884 -7.898 -21.026 551 HD2 PRO 71 HD2 PRO 71 -9.798 -9.508 -20.356 552 HD3 PRO 71 HD3 PRO 71 -10.875 -8.806 -19.113 553 HA PRO 72 HA PRO 72 -12.740 -14.587 -22.399 554 HB2 PRO 72 HB2 PRO 72 -15.081 -15.928 -22.039 555 HB3 PRO 72 HB3 PRO 72 -13.788 -15.901 -20.791 556 HG2 PRO 72 HG2 PRO 72 -16.283 -14.196 -20.950 557 HG3 PRO 72 HG3 PRO 72 -15.657 -15.097 -19.535 558 HD2 PRO 72 HD2 PRO 72 -15.154 -12.422 -19.930 559 HD3 PRO 72 HD3 PRO 72 -13.989 -13.514 -19.130 560 HA PRO 73 HA PRO 73 -14.558 -13.165 -26.196 561 HB2 PRO 73 HB2 PRO 73 -15.389 -16.049 -26.617 562 HB3 PRO 73 HB3 PRO 73 -14.655 -14.907 -27.789 563 HG2 PRO 73 HG2 PRO 73 -13.110 -16.735 -26.544 564 HG3 PRO 73 HG3 PRO 73 -12.533 -15.042 -26.686 565 HD2 PRO 73 HD2 PRO 73 -13.771 -16.414 -24.297 566 HD3 PRO 73 HD3 PRO 73 -12.388 -15.279 -24.376 567 H HIS 74 H HIS 74 -16.719 -15.388 -24.393 568 HA HIS 74 HA HIS 74 -19.160 -14.426 -25.644 569 HB2 HIS 74 HB2 HIS 74 -18.549 -16.181 -23.219 570 HB3 HIS 74 HB3 HIS 74 -20.189 -15.696 -23.606 571 HD1 HIS 74 HD1 HIS 74 -21.439 -17.411 -25.027 572 HD2 HIS 74 HD2 HIS 74 -17.250 -17.477 -25.523 573 HE1 HIS 74 HE1 HIS 74 -20.902 -19.456 -26.511 574 HE2 HIS 74 HE2 HIS 74 -18.337 -19.529 -26.714 575 H LEU 75 H LEU 75 -17.272 -13.008 -23.147 576 HA LEU 75 HA LEU 75 -19.593 -11.279 -22.357 577 HB2 LEU 75 HB2 LEU 75 -17.138 -12.029 -20.762 578 HB3 LEU 75 HB3 LEU 75 -18.370 -10.895 -20.246 579 HG LEU 75 HG LEU 75 -18.935 -13.824 -20.886 580 HD11 LEU 75 HD11 LEU 75 -18.848 -14.422 -18.685 581 HD12 LEU 75 HD12 LEU 75 -17.438 -13.365 -18.814 582 HD13 LEU 75 HD13 LEU 75 -18.933 -12.775 -18.061 583 HD21 LEU 75 HD21 LEU 75 -20.612 -11.673 -19.512 584 HD22 LEU 75 HD22 LEU 75 -20.933 -12.424 -21.091 585 HD23 LEU 75 HD23 LEU 75 -21.036 -13.394 -19.624 586 H LYS 76 H LYS 76 -16.462 -11.226 -23.886 587 HA LYS 76 HA LYS 76 -15.768 -8.483 -23.495 588 HB2 LYS 76 HB2 LYS 76 -15.357 -10.401 -25.814 589 HB3 LYS 76 HB3 LYS 76 -14.799 -8.718 -25.869 590 HG2 LYS 76 HG2 LYS 76 -13.440 -9.021 -23.867 591 HG3 LYS 76 HG3 LYS 76 -14.058 -10.656 -23.643 592 HD2 LYS 76 HD2 LYS 76 -11.837 -10.765 -24.579 593 HD3 LYS 76 HD3 LYS 76 -13.003 -11.371 -25.763 594 HE2 LYS 76 HE2 LYS 76 -12.931 -9.185 -26.950 595 HE3 LYS 76 HE3 LYS 76 -11.810 -8.556 -25.735 596 HZ1 LYS 76 HZ1 LYS 76 -10.204 -10.255 -26.438 597 HZ2 LYS 76 HZ2 LYS 76 -11.241 -10.835 -27.562 598 HZ3 LYS 76 HZ3 LYS 76 -10.632 -9.330 -27.711 599 H THR 77 H THR 77 -18.186 -9.918 -25.700 600 HA THR 77 HA THR 77 -18.904 -7.533 -27.100 601 HB THR 77 HB THR 77 -20.717 -9.864 -26.380 602 HG1 THR 77 HG1 THR 77 -19.968 -10.744 -28.324 603 HG21 THR 77 HG21 THR 77 -20.709 -7.916 -28.730 604 HG22 THR 77 HG22 THR 77 -21.788 -9.321 -28.558 605 HG23 THR 77 HG23 THR 77 -21.911 -7.969 -27.422 606 H GLN 78 H GLN 78 -20.112 -8.931 -24.026 607 HA GLN 78 HA GLN 78 -22.204 -6.972 -23.610 608 HB2 GLN 78 HB2 GLN 78 -20.742 -8.806 -21.648 609 HB3 GLN 78 HB3 GLN 78 -22.204 -7.892 -21.291 610 HG2 GLN 78 HG2 GLN 78 -21.923 -10.152 -23.319 611 HG3 GLN 78 HG3 GLN 78 -22.718 -10.245 -21.757 612 HE21 GLN 78 HE21 GLN 78 -23.780 -10.657 -24.596 613 HE22 GLN 78 HE22 GLN 78 -25.171 -9.584 -24.657 614 H LEU 79 H LEU 79 -18.841 -7.292 -22.436 615 HA LEU 79 HA LEU 79 -18.818 -4.939 -20.805 616 HB2 LEU 79 HB2 LEU 79 -16.598 -6.447 -22.232 617 HB3 LEU 79 HB3 LEU 79 -16.307 -5.132 -21.097 618 HG LEU 79 HG LEU 79 -17.814 -7.681 -20.370 619 HD11 LEU 79 HD11 LEU 79 -14.925 -6.907 -19.848 620 HD12 LEU 79 HD12 LEU 79 -15.763 -8.353 -19.228 621 HD13 LEU 79 HD13 LEU 79 -15.508 -8.163 -20.971 622 HD21 LEU 79 HD21 LEU 79 -18.381 -5.843 -18.850 623 HD22 LEU 79 HD22 LEU 79 -17.272 -6.939 -18.024 624 HD23 LEU 79 HD23 LEU 79 -16.666 -5.410 -18.687 625 H GLU 80 H GLU 80 -17.833 -5.288 -24.300 626 HA GLU 80 HA GLU 80 -17.113 -2.501 -24.447 627 HB2 GLU 80 HB2 GLU 80 -16.956 -2.707 -26.772 628 HB3 GLU 80 HB3 GLU 80 -16.277 -4.158 -26.048 629 HG2 GLU 80 HG2 GLU 80 -18.186 -5.478 -26.719 630 HG3 GLU 80 HG3 GLU 80 -19.094 -4.049 -27.206 631 H ILE 81 H ILE 81 -20.252 -4.061 -24.777 632 HA ILE 81 HA ILE 81 -21.617 -1.693 -25.828 633 HB ILE 81 HB ILE 81 -22.553 -4.319 -24.627 634 HG12 ILE 81 HG12 ILE 81 -22.851 -3.066 -27.402 635 HG13 ILE 81 HG13 ILE 81 -21.586 -4.204 -26.961 636 HG21 ILE 81 HG21 ILE 81 -24.884 -3.650 -25.186 637 HG22 ILE 81 HG22 ILE 81 -24.223 -2.630 -23.926 638 HG23 ILE 81 HG23 ILE 81 -24.318 -2.017 -25.594 639 HD11 ILE 81 HD11 ILE 81 -24.562 -4.785 -27.098 640 HD12 ILE 81 HD12 ILE 81 -23.268 -5.428 -28.119 641 HD13 ILE 81 HD13 ILE 81 -23.359 -5.907 -26.411 642 H ASN 82 H ASN 82 -21.123 -3.085 -22.555 643 HA ASN 82 HA ASN 82 -22.541 -0.972 -21.159 644 HB2 ASN 82 HB2 ASN 82 -20.537 -3.114 -20.348 645 HB3 ASN 82 HB3 ASN 82 -21.008 -1.843 -19.224 646 HD21 ASN 82 HD21 ASN 82 -22.274 -4.602 -21.073 647 HD22 ASN 82 HD22 ASN 82 -23.740 -4.734 -20.101 648 H GLY 83 H GLY 83 -19.198 -1.293 -22.325 649 HA2 GLY 83 HA2 GLY 83 -18.045 0.956 -21.008 650 HA3 GLY 83 HA3 GLY 83 -17.498 0.239 -22.535 651 H ARG 84 H ARG 84 -19.598 0.710 -24.267 652 HA ARG 84 HA ARG 84 -19.378 3.460 -25.022 653 HB2 ARG 84 HB2 ARG 84 -21.441 1.318 -25.692 654 HB3 ARG 84 HB3 ARG 84 -21.477 2.934 -26.402 655 HG2 ARG 84 HG2 ARG 84 -19.266 2.628 -27.399 656 HG3 ARG 84 HG3 ARG 84 -19.102 1.041 -26.630 657 HD2 ARG 84 HD2 ARG 84 -21.183 0.293 -27.853 658 HD3 ARG 84 HD3 ARG 84 -21.231 1.859 -28.657 659 HE ARG 84 HE ARG 84 -19.571 1.168 -30.108 660 HH11 ARG 84 HH11 ARG 84 -18.002 -1.931 -30.266 661 HH12 ARG 84 HH12 ARG 84 -18.383 -0.472 -31.181 662 HH21 ARG 84 HH21 ARG 84 -18.545 -2.240 -28.389 663 HH22 ARG 84 HH22 ARG 84 -19.358 -1.052 -27.355 664 H ASN 85 H ASN 85 -21.685 1.933 -22.854 665 HA ASN 85 HA ASN 85 -23.432 4.257 -22.645 666 HB2 ASN 85 HB2 ASN 85 -24.159 1.862 -22.461 667 HB3 ASN 85 HB3 ASN 85 -23.244 1.718 -20.960 668 HD21 ASN 85 HD21 ASN 85 -25.871 3.694 -22.466 669 HD22 ASN 85 HD22 ASN 85 -26.748 3.878 -20.957 670 H ASN 86 H ASN 86 -20.365 3.631 -21.252 671 HA ASN 86 HA ASN 86 -20.904 5.556 -19.006 672 HB2 ASN 86 HB2 ASN 86 -19.275 2.987 -19.020 673 HB3 ASN 86 HB3 ASN 86 -19.138 4.219 -17.766 674 HD21 ASN 86 HD21 ASN 86 -21.175 1.649 -19.020 675 HD22 ASN 86 HD22 ASN 86 -22.360 1.759 -17.720 676 H LEU 87 H LEU 87 -18.671 4.700 -21.592 677 HA LEU 87 HA LEU 87 -16.592 6.601 -20.803 678 HB2 LEU 87 HB2 LEU 87 -17.095 4.967 -23.324 679 HB3 LEU 87 HB3 LEU 87 -15.653 5.940 -23.051 680 HG LEU 87 HG LEU 87 -16.457 3.598 -21.266 681 HD11 LEU 87 HD11 LEU 87 -15.914 2.862 -23.560 682 HD12 LEU 87 HD12 LEU 87 -14.374 3.748 -23.479 683 HD13 LEU 87 HD13 LEU 87 -14.673 2.367 -22.397 684 HD21 LEU 87 HD21 LEU 87 -13.899 5.241 -21.458 685 HD22 LEU 87 HD22 LEU 87 -15.028 5.186 -20.085 686 HD23 LEU 87 HD23 LEU 87 -14.095 3.752 -20.512 687 H ILE 88 H ILE 88 -18.943 7.915 -20.768 688 HA ILE 88 HA ILE 88 -19.819 9.273 -23.100 689 HB ILE 88 HB ILE 88 -20.010 9.969 -20.145 690 HG12 ILE 88 HG12 ILE 88 -22.046 8.681 -22.031 691 HG13 ILE 88 HG13 ILE 88 -21.037 7.780 -20.909 692 HG21 ILE 88 HG21 ILE 88 -21.926 11.440 -20.750 693 HG22 ILE 88 HG22 ILE 88 -20.428 12.028 -21.432 694 HG23 ILE 88 HG23 ILE 88 -21.585 11.164 -22.472 695 HD11 ILE 88 HD11 ILE 88 -23.174 7.988 -19.904 696 HD12 ILE 88 HD12 ILE 88 -22.063 9.034 -18.997 697 HD13 ILE 88 HD13 ILE 88 -23.226 9.736 -20.153 698 H GLN 89 H GLN 89 -17.060 9.981 -21.022 699 HA GLN 89 HA GLN 89 -16.313 12.210 -22.830 700 HB2 GLN 89 HB2 GLN 89 -17.436 12.788 -20.407 701 HB3 GLN 89 HB3 GLN 89 -15.758 12.635 -19.909 702 HG2 GLN 89 HG2 GLN 89 -16.884 14.465 -22.081 703 HG3 GLN 89 HG3 GLN 89 -16.389 14.966 -20.469 704 HE21 GLN 89 HE21 GLN 89 -15.382 15.459 -23.458 705 HE22 GLN 89 HE22 GLN 89 -13.645 15.318 -23.237 706 H GLN 90 H GLN 90 -14.236 12.194 -23.395 707 HA GLN 90 HA GLN 90 -12.606 9.984 -23.217 708 HB2 GLN 90 HB2 GLN 90 -12.577 11.917 -24.854 709 HB3 GLN 90 HB3 GLN 90 -11.702 12.857 -23.649 710 HG2 GLN 90 HG2 GLN 90 -10.143 11.999 -25.268 711 HG3 GLN 90 HG3 GLN 90 -9.832 11.179 -23.749 712 HE21 GLN 90 HE21 GLN 90 -11.278 10.796 -27.014 713 HE22 GLN 90 HE22 GLN 90 -11.215 9.039 -26.988 714 H LYS 91 H LYS 91 -12.644 12.631 -20.841 715 HA LYS 91 HA LYS 91 -10.090 12.139 -19.658 716 HB2 LYS 91 HB2 LYS 91 -12.647 13.384 -18.584 717 HB3 LYS 91 HB3 LYS 91 -11.173 13.268 -17.618 718 HG2 LYS 91 HG2 LYS 91 -9.907 14.557 -19.282 719 HG3 LYS 91 HG3 LYS 91 -11.341 14.676 -20.312 720 HD2 LYS 91 HD2 LYS 91 -12.534 15.890 -18.463 721 HD3 LYS 91 HD3 LYS 91 -11.079 15.759 -17.471 722 HE2 LYS 91 HE2 LYS 91 -11.078 17.957 -18.370 723 HE3 LYS 91 HE3 LYS 91 -9.811 17.059 -19.208 724 HZ1 LYS 91 HZ1 LYS 91 -11.168 18.373 -20.745 725 HZ2 LYS 91 HZ2 LYS 91 -11.352 16.788 -21.086 726 HZ3 LYS 91 HZ3 LYS 91 -12.530 17.598 -20.292 727 H ASN 92 H ASN 92 -12.974 10.195 -19.330 728 HA ASN 92 HA ASN 92 -11.479 8.348 -17.602 729 HB2 ASN 92 HB2 ASN 92 -12.620 10.091 -16.085 730 HB3 ASN 92 HB3 ASN 92 -14.155 9.374 -16.568 731 HD21 ASN 92 HD21 ASN 92 -13.216 9.455 -13.894 732 HD22 ASN 92 HD22 ASN 92 -12.864 7.811 -13.381
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